*HEADER PROTEIN TRANSPORT 25-NOV-13 2MHJ
*TITLE SOLUTION STRUCTURE OF TPSB4 N-TERMINAL POTRA DOMAIN FROM PSEUDOMONAS
*TITLE 2 AERUGINOSA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: TPSB4 PROTEIN;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: POTRA DOMAIN 1 (UNP RESIDUES 55-134);
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;
*SOURCE 3 ORGANISM_TAXID: 208964;
*SOURCE 4 STRAIN: PA01;
*SOURCE 5 GENE: PA4540;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 83333;
*SOURCE 8 EXPRESSION_SYSTEM_STRAIN: K-12;
*SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET46 LIC/EK
*KEYWDS TWO PARTNER SECREATION, TPS, T5SS, BIOFILM, SECRETION, PROTEASE,
*KEYWDS 2 POTRA, OMP85, PROTEIN TRANSPORT
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR J.A.GARNETT, S.J.MATTHEWS
*REVDAT 1 24-DEC-14 2MHJ 0
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 -23.139 -11.671 -0.874
2 H2 MET 1 HT2 MET 1 -22.855 -10.311 -1.842
3 H3 MET 1 HT3 MET 1 -23.406 -10.120 -0.256
4 HA MET 1 HA MET 1 -21.371 -11.014 0.620
5 HB2 MET 1 HB2 MET 1 -20.896 -12.502 -1.307
6 HB3 MET 1 HB1 MET 1 -20.509 -11.092 -2.282
7 HG2 MET 1 HG2 MET 1 -18.653 -10.565 -0.777
8 HG3 MET 1 HG1 MET 1 -19.034 -11.994 0.182
9 HE1 MET 1 HE1 MET 1 -15.702 -13.019 -1.598
10 HE2 MET 1 HE2 MET 1 -16.538 -12.849 -0.054
11 HE3 MET 1 HE3 MET 1 -16.138 -11.418 -1.002
12 H ALA 2 HN ALA 2 -20.140 -9.424 1.436
13 HA ALA 2 HA ALA 2 -20.700 -6.761 0.779
14 HB1 ALA 2 HB1 ALA 2 -19.984 -7.477 3.006
15 HB2 ALA 2 HB2 ALA 2 -18.969 -6.175 2.389
16 HB3 ALA 2 HB3 ALA 2 -18.380 -7.836 2.375
17 H HIS 3 HN HIS 3 -20.133 -5.776 -1.019
18 HA HIS 3 HA HIS 3 -17.342 -6.025 -1.925
19 HB2 HIS 3 HB2 HIS 3 -19.881 -5.732 -3.515
20 HB3 HIS 3 HB1 HIS 3 -18.338 -5.213 -4.178
21 HD1 HIS 3 HD1 HIS 3 -20.251 -8.296 -3.207
22 HD2 HIS 3 HD2 HIS 3 -16.638 -7.259 -4.993
23 HE1 HIS 3 HE1 HIS 3 -19.361 -10.419 -4.228
24 HE2 HIS 3 HE2 HIS 3 -17.160 -9.776 -5.272
25 H HIS 4 HN HIS 4 -19.887 -3.761 -2.864
26 HA HIS 4 HA HIS 4 -18.098 -1.553 -2.326
27 HB2 HIS 4 HB2 HIS 4 -19.829 -0.143 -3.354
28 HB3 HIS 4 HB1 HIS 4 -19.425 -1.501 -4.388
29 HD1 HIS 4 HD1 HIS 4 -21.282 -3.227 -4.859
30 HD2 HIS 4 HD2 HIS 4 -22.450 -0.152 -2.315
31 HE1 HIS 4 HE1 HIS 4 -23.781 -3.412 -4.679
32 HE2 HIS 4 HE2 HIS 4 -24.473 -1.503 -3.194
33 H HIS 5 HN HIS 5 -18.107 -0.354 -0.551
34 HA HIS 5 HA HIS 5 -20.143 -0.888 1.456
35 HB2 HIS 5 HB2 HIS 5 -17.594 0.733 1.600
36 HB3 HIS 5 HB1 HIS 5 -18.672 0.429 2.960
37 HD1 HIS 5 HD1 HIS 5 -16.116 -1.239 0.772
38 HD2 HIS 5 HD2 HIS 5 -18.528 -2.159 4.045
39 HE1 HIS 5 HE1 HIS 5 -15.268 -3.437 1.653
40 HE2 HIS 5 HE2 HIS 5 -16.675 -3.924 3.682
41 H HIS 6 HN HIS 6 -18.746 1.888 -0.249
42 HA HIS 6 HA HIS 6 -19.633 3.877 -0.901
43 HB2 HIS 6 HB2 HIS 6 -20.928 2.172 -2.232
44 HB3 HIS 6 HB1 HIS 6 -22.225 2.332 -1.054
45 HD1 HIS 6 HD1 HIS 6 -23.850 4.212 -1.404
46 HD2 HIS 6 HD2 HIS 6 -20.437 4.604 -3.742
47 HE1 HIS 6 HE1 HIS 6 -24.311 6.137 -2.955
48 HE2 HIS 6 HE2 HIS 6 -22.180 6.446 -4.259
49 H HIS 7 HN HIS 7 -19.308 4.250 1.607
50 HA HIS 7 HA HIS 7 -21.801 5.537 2.502
51 HB2 HIS 7 HB2 HIS 7 -19.607 4.294 4.165
52 HB3 HIS 7 HB1 HIS 7 -20.824 5.374 4.836
53 HD1 HIS 7 HD1 HIS 7 -20.231 2.022 4.977
54 HD2 HIS 7 HD2 HIS 7 -23.520 4.163 3.599
55 HE1 HIS 7 HE1 HIS 7 -22.175 0.430 5.088
56 HE2 HIS 7 HE2 HIS 7 -24.168 1.774 4.349
57 H HIS 8 HN HIS 8 -18.863 5.970 1.217
58 HA HIS 8 HA HIS 8 -18.890 8.753 1.273
59 HB2 HIS 8 HB2 HIS 8 -18.153 8.460 3.648
60 HB3 HIS 8 HB1 HIS 8 -16.746 7.574 3.067
61 HD1 HIS 8 HD1 HIS 8 -14.734 8.939 2.437
62 HD2 HIS 8 HD2 HIS 8 -18.164 11.249 2.838
63 HE1 HIS 8 HE1 HIS 8 -13.975 11.320 2.205
64 HE2 HIS 8 HE2 HIS 8 -16.080 12.692 2.333
65 H VAL 9 HN VAL 9 -16.945 5.856 1.201
66 HA VAL 9 HA VAL 9 -15.897 6.654 -1.425
67 HB VAL 9 HB VAL 9 -13.840 5.304 -0.878
68 HG11 VAL 9 HG11 VAL 9 -12.784 7.081 0.472
69 HG12 VAL 9 HG12 VAL 9 -14.382 7.748 0.807
70 HG13 VAL 9 HG13 VAL 9 -13.765 7.725 -0.844
71 HG21 VAL 9 HG21 VAL 9 -13.317 4.945 1.499
72 HG22 VAL 9 HG22 VAL 9 -14.720 4.012 0.980
73 HG23 VAL 9 HG23 VAL 9 -14.940 5.483 1.925
74 H ASP 10 HN ASP 10 -15.188 4.645 -2.679
75 HA ASP 10 HA ASP 10 -16.243 2.128 -1.869
76 HB2 ASP 10 HB2 ASP 10 -17.896 1.883 -3.722
77 HB3 ASP 10 HB1 ASP 10 -18.376 3.055 -2.504
78 H ASP 11 HN ASP 11 -16.495 0.885 -4.331
79 HA ASP 11 HA ASP 11 -13.800 0.322 -4.789
80 HB2 ASP 11 HB2 ASP 11 -14.693 -1.002 -6.778
81 HB3 ASP 11 HB1 ASP 11 -15.325 -1.429 -5.193
82 H ASP 12 HN ASP 12 -12.327 0.944 -6.196
83 HA ASP 12 HA ASP 12 -13.088 2.779 -8.355
84 HB2 ASP 12 HB2 ASP 12 -12.279 4.060 -6.348
85 HB3 ASP 12 HB1 ASP 12 -10.735 3.230 -6.501
86 H ASP 13 HN ASP 13 -11.200 3.067 -9.902
87 HA ASP 13 HA ASP 13 -9.797 2.185 -11.441
88 HB2 ASP 13 HB2 ASP 13 -8.225 1.797 -9.597
89 HB3 ASP 13 HB1 ASP 13 -8.997 0.254 -9.254
90 H LYS 14 HN LYS 14 -10.545 -0.829 -9.719
91 HA LYS 14 HA LYS 14 -12.010 -1.707 -12.116
92 HB2 LYS 14 HB2 LYS 14 -10.000 -3.069 -11.290
93 HB3 LYS 14 HB1 LYS 14 -10.991 -3.498 -9.906
94 HG2 LYS 14 HG2 LYS 14 -11.961 -3.988 -12.695
95 HG3 LYS 14 HG1 LYS 14 -10.868 -5.116 -11.900
96 HD2 LYS 14 HD2 LYS 14 -12.451 -5.510 -10.139
97 HD3 LYS 14 HD1 LYS 14 -13.502 -4.220 -10.736
98 HE2 LYS 14 HE2 LYS 14 -14.349 -6.429 -11.361
99 HE3 LYS 14 HE1 LYS 14 -13.913 -5.480 -12.779
100 HZ1 LYS 14 HZ1 LYS 14 -11.782 -6.702 -12.826
101 HZ2 LYS 14 HZ2 LYS 14 -13.124 -7.701 -13.055
102 HZ3 LYS 14 HZ3 LYS 14 -12.337 -7.680 -11.563
103 H MET 15 HN MET 15 -13.985 -0.880 -11.708
104 HA MET 15 HA MET 15 -15.157 -1.012 -9.089
105 HB2 MET 15 HB2 MET 15 -16.252 -0.106 -11.753
106 HB3 MET 15 HB1 MET 15 -17.162 -0.038 -10.250
107 HG2 MET 15 HG2 MET 15 -15.453 1.441 -9.297
108 HG3 MET 15 HG1 MET 15 -14.579 1.396 -10.827
109 HE1 MET 15 HE1 MET 15 -16.097 5.035 -10.622
110 HE2 MET 15 HE2 MET 15 -14.612 4.088 -10.736
111 HE3 MET 15 HE3 MET 15 -15.571 4.051 -9.256
112 H GLY 16 HN GLY 16 -16.868 -2.260 -8.421
113 HA2 GLY 16 HA2 GLY 16 -18.383 -4.025 -8.476
114 HA3 GLY 16 HA1 GLY 16 -18.022 -4.246 -10.181
115 H GLY 17 HN GLY 17 -15.241 -4.076 -8.268
116 HA2 GLY 17 HA2 GLY 17 -15.068 -7.023 -8.217
117 HA3 GLY 17 HA1 GLY 17 -13.695 -5.985 -8.568
118 HA PRO 18 HA PRO 18 -13.769 -6.960 -4.008
119 HB2 PRO 18 HB2 PRO 18 -11.029 -7.870 -4.388
120 HB3 PRO 18 HB1 PRO 18 -12.410 -8.753 -3.735
121 HG2 PRO 18 HG2 PRO 18 -11.276 -9.329 -6.142
122 HG3 PRO 18 HG1 PRO 18 -12.984 -9.619 -5.773
123 HD2 PRO 18 HD2 PRO 18 -11.735 -7.396 -7.331
124 HD3 PRO 18 HD1 PRO 18 -13.250 -8.274 -7.626
125 H THR 19 HN THR 19 -13.206 -5.355 -2.679
126 HA THR 19 HA THR 19 -10.817 -3.770 -3.283
127 HB THR 19 HB THR 19 -12.154 -1.726 -2.535
128 HG1 THR 19 HG1 THR 19 -14.192 -2.048 -2.066
129 HG21 THR 19 HG21 THR 19 -11.482 -1.916 -4.814
130 HG22 THR 19 HG22 THR 19 -13.187 -1.470 -4.821
131 HG23 THR 19 HG23 THR 19 -12.714 -3.134 -5.141
132 H VAL 20 HN VAL 20 -9.913 -2.677 -1.484
133 HA VAL 20 HA VAL 20 -10.851 -3.658 1.124
134 HB VAL 20 HB VAL 20 -8.003 -3.144 0.388
135 HG11 VAL 20 HG11 VAL 20 -8.477 -2.792 2.742
136 HG12 VAL 20 HG12 VAL 20 -7.490 -4.235 2.520
137 HG13 VAL 20 HG13 VAL 20 -9.218 -4.389 2.842
138 HG21 VAL 20 HG21 VAL 20 -8.784 -5.095 -0.822
139 HG22 VAL 20 HG22 VAL 20 -9.424 -5.780 0.671
140 HG23 VAL 20 HG23 VAL 20 -7.684 -5.580 0.469
141 H LEU 21 HN LEU 21 -11.479 -2.043 2.423
142 HA LEU 21 HA LEU 21 -10.840 0.679 1.863
143 HB2 LEU 21 HB2 LEU 21 -12.912 0.140 3.024
144 HB3 LEU 21 HB1 LEU 21 -12.016 -0.607 4.336
145 HG LEU 21 HG LEU 21 -10.975 1.668 4.758
146 HD11 LEU 21 HD11 LEU 21 -12.232 3.610 3.947
147 HD12 LEU 21 HD12 LEU 21 -13.208 2.545 2.936
148 HD13 LEU 21 HD13 LEU 21 -11.479 2.708 2.630
149 HD21 LEU 21 HD21 LEU 21 -12.691 0.737 6.193
150 HD22 LEU 21 HD22 LEU 21 -13.946 1.353 5.118
151 HD23 LEU 21 HD23 LEU 21 -12.916 2.476 6.004
152 H VAL 22 HN VAL 22 -8.788 1.231 1.962
153 HA VAL 22 HA VAL 22 -6.958 0.012 3.792
154 HB VAL 22 HB VAL 22 -6.591 2.377 1.953
155 HG11 VAL 22 HG11 VAL 22 -4.973 2.236 3.863
156 HG12 VAL 22 HG12 VAL 22 -4.227 2.098 2.273
157 HG13 VAL 22 HG13 VAL 22 -4.480 0.655 3.257
158 HG21 VAL 22 HG21 VAL 22 -5.878 -0.525 1.598
159 HG22 VAL 22 HG22 VAL 22 -5.462 0.780 0.489
160 HG23 VAL 22 HG23 VAL 22 -7.152 0.350 0.751
161 H LYS 23 HN LYS 23 -6.867 0.536 5.845
162 HA LYS 23 HA LYS 23 -7.497 3.270 6.680
163 HB2 LYS 23 HB2 LYS 23 -7.103 0.747 8.302
164 HB3 LYS 23 HB1 LYS 23 -7.515 2.320 8.971
165 HG2 LYS 23 HG2 LYS 23 -9.618 2.304 7.726
166 HG3 LYS 23 HG1 LYS 23 -9.204 0.725 7.054
167 HD2 LYS 23 HD2 LYS 23 -9.168 -0.222 9.313
168 HD3 LYS 23 HD1 LYS 23 -9.594 1.356 9.980
169 HE2 LYS 23 HE2 LYS 23 -11.689 1.311 8.694
170 HE3 LYS 23 HE1 LYS 23 -11.264 -0.285 8.076
171 HZ1 LYS 23 HZ1 LYS 23 -11.310 -1.135 10.333
172 HZ2 LYS 23 HZ2 LYS 23 -12.791 -0.421 9.943
173 HZ3 LYS 23 HZ3 LYS 23 -11.695 0.399 10.934
174 H ARG 24 HN ARG 24 -4.923 0.901 6.549
175 HA ARG 24 HA ARG 24 -2.964 2.989 6.837
176 HB2 ARG 24 HB2 ARG 24 -1.789 2.072 8.737
177 HB3 ARG 24 HB1 ARG 24 -3.455 2.381 9.208
178 HG2 ARG 24 HG2 ARG 24 -3.948 0.169 9.440
179 HG3 ARG 24 HG1 ARG 24 -2.776 -0.333 8.220
180 HD2 ARG 24 HD2 ARG 24 -2.148 0.632 11.005
181 HD3 ARG 24 HD1 ARG 24 -2.069 -1.035 10.444
182 HE ARG 24 HE ARG 24 -0.421 0.314 8.744
183 HH11 ARG 24 HH11 ARG 24 -0.587 -0.028 12.223
184 HH12 ARG 24 HH12 ARG 24 1.115 0.198 12.452
185 HH21 ARG 24 HH21 ARG 24 1.820 0.598 9.028
186 HH22 ARG 24 HH22 ARG 24 2.493 0.548 10.630
187 H PHE 25 HN PHE 25 -0.772 2.200 6.491
188 HA PHE 25 HA PHE 25 -0.708 -0.296 4.928
189 HB2 PHE 25 HB2 PHE 25 1.021 2.182 4.739
190 HB3 PHE 25 HB1 PHE 25 1.350 0.689 3.868
191 HD1 PHE 25 HD1 PHE 25 -1.253 3.297 4.330
192 HD2 PHE 25 HD2 PHE 25 0.409 0.330 1.776
193 HE1 PHE 25 HE1 PHE 25 -2.728 4.035 2.518
194 HE2 PHE 25 HE2 PHE 25 -1.068 1.064 -0.045
195 HZ PHE 25 HZ PHE 25 -2.641 2.923 0.322
196 H GLN 26 HN GLN 26 0.730 -1.854 5.458
197 HA GLN 26 HA GLN 26 2.605 -1.279 7.652
198 HB2 GLN 26 HB2 GLN 26 0.961 -2.757 8.546
199 HB3 GLN 26 HB1 GLN 26 0.964 -3.751 7.099
200 HG2 GLN 26 HG2 GLN 26 2.103 -5.042 8.637
201 HG3 GLN 26 HG1 GLN 26 3.393 -4.293 7.707
202 HE21 GLN 26 HE21 GLN 26 3.119 -1.704 9.082
203 HE22 GLN 26 HE22 GLN 26 3.794 -1.938 10.648
204 H LEU 27 HN LEU 27 4.682 -1.630 7.230
205 HA LEU 27 HA LEU 27 5.325 -2.892 4.659
206 HB2 LEU 27 HB2 LEU 27 6.807 -0.934 6.405
207 HB3 LEU 27 HB1 LEU 27 7.600 -1.793 5.103
208 HG LEU 27 HG LEU 27 6.998 0.451 4.407
209 HD11 LEU 27 HD11 LEU 27 5.333 -1.668 3.077
210 HD12 LEU 27 HD12 LEU 27 6.999 -1.232 2.694
211 HD13 LEU 27 HD13 LEU 27 5.695 -0.085 2.393
212 HD21 LEU 27 HD21 LEU 27 4.670 1.153 4.188
213 HD22 LEU 27 HD22 LEU 27 5.104 0.852 5.870
214 HD23 LEU 27 HD23 LEU 27 4.149 -0.333 4.981
215 H SER 28 HN SER 28 6.391 -4.727 4.555
216 HA SER 28 HA SER 28 7.476 -5.843 7.053
217 HB2 SER 28 HB2 SER 28 5.395 -6.953 6.466
218 HB3 SER 28 HB1 SER 28 5.965 -7.231 4.824
219 HG SER 28 HG SER 28 6.882 -8.972 5.496
220 H GLY 29 HN GLY 29 9.584 -6.245 6.969
221 HA2 GLY 29 HA2 GLY 29 11.485 -7.307 5.986
222 HA3 GLY 29 HA1 GLY 29 10.789 -7.011 4.401
223 H ASN 30 HN ASN 30 10.215 -4.228 5.856
224 HA ASN 30 HA ASN 30 12.422 -2.900 4.596
225 HB2 ASN 30 HB2 ASN 30 11.321 -0.825 5.383
226 HB3 ASN 30 HB1 ASN 30 10.221 -1.878 4.504
227 HD21 ASN 30 HD21 ASN 30 9.801 0.249 6.534
228 HD22 ASN 30 HD22 ASN 30 8.814 -0.488 7.751
229 H ARG 31 HN ARG 31 14.291 -2.417 5.478
230 HA ARG 31 HA ARG 31 14.474 -2.216 8.419
231 HB2 ARG 31 HB2 ARG 31 16.573 -3.324 6.544
232 HB3 ARG 31 HB1 ARG 31 16.722 -3.178 8.287
233 HG2 ARG 31 HG2 ARG 31 14.766 -4.941 6.828
234 HG3 ARG 31 HG1 ARG 31 16.253 -5.468 7.617
235 HD2 ARG 31 HD2 ARG 31 13.850 -4.226 8.946
236 HD3 ARG 31 HD1 ARG 31 14.344 -5.914 9.038
237 HE ARG 31 HE ARG 31 16.509 -4.661 9.994
238 HH11 ARG 31 HH11 ARG 31 13.104 -4.342 10.746
239 HH12 ARG 31 HH12 ARG 31 13.380 -3.830 12.378
240 HH21 ARG 31 HH21 ARG 31 16.878 -3.983 12.147
241 HH22 ARG 31 HH22 ARG 31 15.528 -3.622 13.176
242 H GLN 32 HN GLN 32 15.329 -0.998 5.294
243 HA GLN 32 HA GLN 32 17.257 0.912 6.271
244 HB2 GLN 32 HB2 GLN 32 15.936 0.547 3.579
245 HB3 GLN 32 HB1 GLN 32 17.160 1.761 3.903
246 HG2 GLN 32 HG2 GLN 32 17.485 -1.225 4.023
247 HG3 GLN 32 HG1 GLN 32 18.195 -0.118 2.850
248 HE21 GLN 32 HE21 GLN 32 19.906 1.217 3.490
249 HE22 GLN 32 HE22 GLN 32 20.841 0.876 4.903
250 H PHE 33 HN PHE 33 13.869 0.898 5.363
251 HA PHE 33 HA PHE 33 13.638 3.613 6.459
252 HB2 PHE 33 HB2 PHE 33 12.265 2.557 3.981
253 HB3 PHE 33 HB1 PHE 33 11.890 4.092 4.756
254 HD1 PHE 33 HD2 PHE 33 13.901 5.720 5.059
255 HD2 PHE 33 HD1 PHE 33 13.819 2.494 2.289
256 HE1 PHE 33 HE2 PHE 33 15.666 6.811 3.743
257 HE2 PHE 33 HE1 PHE 33 15.588 3.576 0.970
258 HZ PHE 33 HZ PHE 33 16.514 5.738 1.695
259 H ASP 34 HN ASP 34 12.008 3.914 7.848
260 HA ASP 34 HA ASP 34 10.592 1.615 8.815
261 HB2 ASP 34 HB2 ASP 34 9.591 3.287 10.428
262 HB3 ASP 34 HB1 ASP 34 11.346 3.160 10.467
263 H ASP 35 HN ASP 35 8.180 1.859 9.344
264 HA ASP 35 HA ASP 35 6.703 1.835 6.998
265 HB2 ASP 35 HB2 ASP 35 5.786 2.305 9.835
266 HB3 ASP 35 HB1 ASP 35 4.671 2.132 8.490
267 H ARG 36 HN ARG 36 6.866 4.386 9.433
268 HA ARG 36 HA ARG 36 5.221 6.307 8.429
269 HB2 ARG 36 HB2 ARG 36 6.270 6.662 10.496
270 HB3 ARG 36 HB1 ARG 36 7.874 6.505 9.798
271 HG2 ARG 36 HG2 ARG 36 7.253 8.607 8.451
272 HG3 ARG 36 HG1 ARG 36 5.974 8.805 9.657
273 HD2 ARG 36 HD2 ARG 36 8.034 10.015 10.246
274 HD3 ARG 36 HD1 ARG 36 7.589 8.787 11.430
275 HE ARG 36 HE ARG 36 9.279 7.366 10.047
276 HH11 ARG 36 HH11 ARG 36 9.599 10.768 10.842
277 HH12 ARG 36 HH12 ARG 36 11.334 10.730 10.844
278 HH21 ARG 36 HH21 ARG 36 11.539 7.303 10.066
279 HH22 ARG 36 HH22 ARG 36 12.441 8.750 10.411
280 H ARG 37 HN ARG 37 8.636 5.851 7.540
281 HA ARG 37 HA ARG 37 8.833 7.983 5.734
282 HB2 ARG 37 HB2 ARG 37 10.771 6.752 6.632
283 HB3 ARG 37 HB1 ARG 37 10.318 5.359 5.678
284 HG2 ARG 37 HG2 ARG 37 11.985 6.304 4.430
285 HG3 ARG 37 HG1 ARG 37 10.516 6.911 3.662
286 HD2 ARG 37 HD2 ARG 37 12.111 8.675 3.918
287 HD3 ARG 37 HD1 ARG 37 10.726 8.989 4.951
288 HE ARG 37 HE ARG 37 12.512 7.676 6.552
289 HH11 ARG 37 HH11 ARG 37 12.656 10.583 4.604
290 HH12 ARG 37 HH12 ARG 37 13.805 11.367 5.639
291 HH21 ARG 37 HH21 ARG 37 14.025 8.698 7.904
292 HH22 ARG 37 HH22 ARG 37 14.588 10.293 7.515
293 H LEU 38 HN LEU 38 7.828 4.630 5.228
294 HA LEU 38 HA LEU 38 7.682 4.982 2.368
295 HB2 LEU 38 HB2 LEU 38 7.168 2.694 4.229
296 HB3 LEU 38 HB1 LEU 38 6.614 2.614 2.571
297 HG LEU 38 HG LEU 38 8.638 2.031 1.835
298 HD11 LEU 38 HD11 LEU 38 9.443 4.280 1.784
299 HD12 LEU 38 HD12 LEU 38 10.723 3.236 2.401
300 HD13 LEU 38 HD13 LEU 38 9.794 4.244 3.512
301 HD21 LEU 38 HD21 LEU 38 8.712 0.589 3.697
302 HD22 LEU 38 HD22 LEU 38 9.184 1.893 4.783
303 HD23 LEU 38 HD23 LEU 38 10.317 1.305 3.568
304 H LEU 39 HN LEU 39 5.534 5.184 5.057
305 HA LEU 39 HA LEU 39 3.063 4.765 3.782
306 HB2 LEU 39 HB2 LEU 39 4.013 5.971 6.291
307 HB3 LEU 39 HB1 LEU 39 2.462 6.558 5.731
308 HG LEU 39 HG LEU 39 1.442 4.461 5.970
309 HD11 LEU 39 HD11 LEU 39 3.102 3.080 4.855
310 HD12 LEU 39 HD12 LEU 39 2.669 2.384 6.416
311 HD13 LEU 39 HD13 LEU 39 4.192 3.253 6.231
312 HD21 LEU 39 HD21 LEU 39 1.936 3.811 8.261
313 HD22 LEU 39 HD22 LEU 39 1.937 5.568 8.088
314 HD23 LEU 39 HD23 LEU 39 3.463 4.692 8.188
315 H ALA 40 HN ALA 40 5.073 7.624 4.055
316 HA ALA 40 HA ALA 40 3.202 9.505 3.095
317 HB1 ALA 40 HB1 ALA 40 5.126 10.918 2.596
318 HB2 ALA 40 HB2 ALA 40 6.206 9.541 2.810
319 HB3 ALA 40 HB3 ALA 40 5.285 10.162 4.180
320 H LEU 41 HN LEU 41 5.019 7.058 1.463
321 HA LEU 41 HA LEU 41 4.783 8.111 -1.172
322 HB2 LEU 41 HB2 LEU 41 5.224 5.345 -0.075
323 HB3 LEU 41 HB1 LEU 41 5.065 5.639 -1.796
324 HG LEU 41 HG LEU 41 7.077 7.269 -0.343
325 HD11 LEU 41 HD11 LEU 41 7.295 4.920 0.532
326 HD12 LEU 41 HD12 LEU 41 8.711 5.546 -0.310
327 HD13 LEU 41 HD13 LEU 41 7.628 4.419 -1.122
328 HD21 LEU 41 HD21 LEU 41 7.113 5.803 -2.979
329 HD22 LEU 41 HD22 LEU 41 8.266 7.021 -2.426
330 HD23 LEU 41 HD23 LEU 41 6.598 7.478 -2.768
331 H LEU 42 HN LEU 42 2.663 6.485 1.000
332 HA LEU 42 HA LEU 42 0.680 6.080 -1.137
333 HB2 LEU 42 HB2 LEU 42 0.744 4.907 1.645
334 HB3 LEU 42 HB1 LEU 42 -0.469 4.579 0.428
335 HG LEU 42 HG LEU 42 0.763 2.721 0.124
336 HD11 LEU 42 HD11 LEU 42 2.412 2.906 -1.656
337 HD12 LEU 42 HD12 LEU 42 2.475 4.653 -1.416
338 HD13 LEU 42 HD13 LEU 42 0.988 3.894 -1.984
339 HD21 LEU 42 HD21 LEU 42 3.228 4.197 1.014
340 HD22 LEU 42 HD22 LEU 42 3.119 2.474 0.654
341 HD23 LEU 42 HD23 LEU 42 2.219 3.146 2.011
342 H HIS 43 HN HIS 43 1.494 8.487 0.568
343 HA HIS 43 HA HIS 43 -0.267 9.192 2.522
344 HB2 HIS 43 HB2 HIS 43 0.397 11.445 2.189
345 HB3 HIS 43 HB1 HIS 43 1.760 10.462 1.688
346 HD1 HIS 43 HD1 HIS 43 -0.689 12.946 0.419
347 HD2 HIS 43 HD2 HIS 43 2.248 10.439 -1.129
348 HE1 HIS 43 HE1 HIS 43 -0.257 13.769 -1.915
349 HE2 HIS 43 HE2 HIS 43 1.475 12.203 -2.856
350 H ASP 44 HN ASP 44 -1.021 9.020 -0.867
351 HA ASP 44 HA ASP 44 -3.451 10.632 -0.501
352 HB2 ASP 44 HB2 ASP 44 -3.489 10.705 -2.988
353 HB3 ASP 44 HB1 ASP 44 -2.024 11.393 -2.294
354 H LEU 45 HN LEU 45 -2.890 7.568 0.020
355 HA LEU 45 HA LEU 45 -4.895 6.514 -1.837
356 HB2 LEU 45 HB2 LEU 45 -2.860 5.061 -0.170
357 HB3 LEU 45 HB1 LEU 45 -4.051 4.278 -1.188
358 HG LEU 45 HG LEU 45 -1.810 6.076 -2.112
359 HD11 LEU 45 HD11 LEU 45 -1.122 3.824 -1.425
360 HD12 LEU 45 HD12 LEU 45 -0.946 4.070 -3.162
361 HD13 LEU 45 HD13 LEU 45 -2.304 3.135 -2.537
362 HD21 LEU 45 HD21 LEU 45 -3.976 4.689 -3.686
363 HD22 LEU 45 HD22 LEU 45 -2.556 5.467 -4.384
364 HD23 LEU 45 HD23 LEU 45 -3.750 6.429 -3.512
365 HA PRO 46 HA PRO 46 -6.370 4.399 2.103
366 HB2 PRO 46 HB2 PRO 46 -5.612 5.156 4.561
367 HB3 PRO 46 HB1 PRO 46 -4.647 4.070 3.569
368 HG2 PRO 46 HG2 PRO 46 -4.278 6.988 4.062
369 HG3 PRO 46 HG1 PRO 46 -3.066 5.696 3.967
370 HD2 PRO 46 HD2 PRO 46 -3.643 7.420 1.906
371 HD3 PRO 46 HD1 PRO 46 -2.963 5.799 1.686
372 H GLY 47 HN GLY 47 -8.029 4.754 3.780
373 HA2 GLY 47 HA2 GLY 47 -9.812 6.035 4.613
374 HA3 GLY 47 HA1 GLY 47 -9.186 7.436 3.748
375 H GLN 48 HN GLN 48 -8.977 4.953 1.680
376 HA GLN 48 HA GLN 48 -11.674 5.303 0.572
377 HB2 GLN 48 HB2 GLN 48 -9.089 5.283 -0.997
378 HB3 GLN 48 HB1 GLN 48 -10.707 5.405 -1.673
379 HG2 GLN 48 HG2 GLN 48 -11.023 7.550 -0.597
380 HG3 GLN 48 HG1 GLN 48 -9.430 7.428 0.151
381 HE21 GLN 48 HE21 GLN 48 -7.586 7.582 -1.159
382 HE22 GLN 48 HE22 GLN 48 -7.650 8.322 -2.722
383 H GLU 49 HN GLU 49 -12.036 3.600 -1.211
384 HA GLU 49 HA GLU 49 -11.068 1.047 -0.159
385 HB2 GLU 49 HB2 GLU 49 -13.415 1.681 -1.962
386 HB3 GLU 49 HB1 GLU 49 -12.935 0.053 -1.503
387 HG2 GLU 49 HG2 GLU 49 -13.284 0.669 0.865
388 HG3 GLU 49 HG1 GLU 49 -13.886 2.237 0.330
389 H LEU 50 HN LEU 50 -9.125 0.887 -1.064
390 HA LEU 50 HA LEU 50 -8.697 1.246 -3.903
391 HB2 LEU 50 HB2 LEU 50 -6.925 0.334 -1.638
392 HB3 LEU 50 HB1 LEU 50 -6.377 0.436 -3.300
393 HG LEU 50 HG LEU 50 -5.575 2.373 -2.202
394 HD11 LEU 50 HD11 LEU 50 -6.646 4.203 -3.377
395 HD12 LEU 50 HD12 LEU 50 -8.047 3.188 -3.713
396 HD13 LEU 50 HD13 LEU 50 -6.483 2.793 -4.425
397 HD21 LEU 50 HD21 LEU 50 -6.999 3.926 -0.959
398 HD22 LEU 50 HD22 LEU 50 -6.990 2.320 -0.230
399 HD23 LEU 50 HD23 LEU 50 -8.375 2.846 -1.189
400 H ASN 51 HN ASN 51 -8.581 -0.364 -5.399
401 HA ASN 51 HA ASN 51 -9.418 -3.012 -4.561
402 HB2 ASN 51 HB2 ASN 51 -9.677 -3.533 -6.880
403 HB3 ASN 51 HB1 ASN 51 -10.303 -1.907 -6.650
404 HD21 ASN 51 HD21 ASN 51 -9.323 -3.231 -9.052
405 HD22 ASN 51 HD22 ASN 51 -8.070 -2.206 -9.671
406 H LEU 52 HN LEU 52 -8.189 -4.912 -5.707
407 HA LEU 52 HA LEU 52 -5.721 -5.098 -4.434
408 HB2 LEU 52 HB2 LEU 52 -6.873 -6.682 -6.726
409 HB3 LEU 52 HB1 LEU 52 -5.323 -7.068 -6.013
410 HG LEU 52 HG LEU 52 -6.915 -8.556 -5.081
411 HD11 LEU 52 HD11 LEU 52 -6.742 -8.126 -2.737
412 HD12 LEU 52 HD12 LEU 52 -6.483 -6.409 -3.023
413 HD13 LEU 52 HD13 LEU 52 -5.261 -7.576 -3.522
414 HD21 LEU 52 HD21 LEU 52 -8.935 -7.819 -3.921
415 HD22 LEU 52 HD22 LEU 52 -8.951 -7.352 -5.621
416 HD23 LEU 52 HD23 LEU 52 -8.591 -6.152 -4.379
417 H SER 53 HN SER 53 -6.453 -4.280 -7.794
418 HA SER 53 HA SER 53 -3.845 -4.289 -8.790
419 HB2 SER 53 HB2 SER 53 -6.093 -2.470 -9.678
420 HB3 SER 53 HB1 SER 53 -4.731 -3.038 -10.645
421 HG SER 53 HG SER 53 -5.679 -5.232 -9.977
422 H GLN 54 HN GLN 54 -5.736 -1.610 -7.377
423 HA GLN 54 HA GLN 54 -3.673 0.322 -7.565
424 HB2 GLN 54 HB2 GLN 54 -6.178 0.105 -5.918
425 HB3 GLN 54 HB1 GLN 54 -5.067 1.448 -5.692
426 HG2 GLN 54 HG2 GLN 54 -5.347 2.121 -7.987
427 HG3 GLN 54 HG1 GLN 54 -6.342 0.705 -8.313
428 HE21 GLN 54 HE21 GLN 54 -6.937 3.539 -8.607
429 HE22 GLN 54 HE22 GLN 54 -8.361 3.829 -7.664
430 H LEU 55 HN LEU 55 -4.520 -2.069 -5.150
431 HA LEU 55 HA LEU 55 -2.808 -1.193 -3.097
432 HB2 LEU 55 HB2 LEU 55 -3.771 -3.975 -3.770
433 HB3 LEU 55 HB1 LEU 55 -2.961 -3.544 -2.279
434 HG LEU 55 HG LEU 55 -5.641 -2.520 -3.207
435 HD11 LEU 55 HD11 LEU 55 -5.629 -4.839 -2.395
436 HD12 LEU 55 HD12 LEU 55 -6.530 -3.757 -1.336
437 HD13 LEU 55 HD13 LEU 55 -4.910 -4.289 -0.884
438 HD21 LEU 55 HD21 LEU 55 -4.046 -1.891 -0.734
439 HD22 LEU 55 HD22 LEU 55 -5.739 -1.466 -0.976
440 HD23 LEU 55 HD23 LEU 55 -4.498 -0.772 -2.019
441 H HIS 56 HN HIS 56 -2.258 -3.424 -5.807
442 HA HIS 56 HA HIS 56 0.443 -4.003 -5.088
443 HB2 HIS 56 HB2 HIS 56 -1.070 -4.292 -7.685
444 HB3 HIS 56 HB1 HIS 56 0.626 -4.728 -7.529
445 HD1 HIS 56 HD1 HIS 56 1.137 -7.010 -6.635
446 HD2 HIS 56 HD2 HIS 56 -2.834 -5.927 -6.061
447 HE1 HIS 56 HE1 HIS 56 -0.018 -9.082 -5.808
448 HE2 HIS 56 HE2 HIS 56 -2.444 -8.443 -5.623
449 H ALA 57 HN ALA 57 -1.101 -1.554 -7.081
450 HA ALA 57 HA ALA 57 1.223 -0.513 -8.297
451 HB1 ALA 57 HB1 ALA 57 -1.352 0.915 -7.640
452 HB2 ALA 57 HB2 ALA 57 -1.046 -0.036 -9.093
453 HB3 ALA 57 HB3 ALA 57 -0.134 1.444 -8.800
454 H ALA 58 HN ALA 58 -0.331 0.103 -5.219
455 HA ALA 58 HA ALA 58 1.044 2.375 -4.375
456 HB1 ALA 58 HB1 ALA 58 0.513 1.644 -2.107
457 HB2 ALA 58 HB2 ALA 58 0.131 0.030 -2.707
458 HB3 ALA 58 HB3 ALA 58 -0.865 1.406 -3.181
459 H ALA 59 HN ALA 59 1.976 -1.014 -4.302
460 HA ALA 59 HA ALA 59 4.291 -0.689 -2.701
461 HB1 ALA 59 HB1 ALA 59 4.846 -2.955 -3.407
462 HB2 ALA 59 HB2 ALA 59 3.612 -2.875 -4.665
463 HB3 ALA 59 HB3 ALA 59 3.143 -2.833 -2.965
464 H ALA 60 HN ALA 60 3.663 -0.385 -6.123
465 HA ALA 60 HA ALA 60 6.326 -0.594 -7.045
466 HB1 ALA 60 HB1 ALA 60 5.512 0.449 -9.099
467 HB2 ALA 60 HB2 ALA 60 4.015 0.904 -8.284
468 HB3 ALA 60 HB3 ALA 60 4.397 -0.798 -8.541
469 H ARG 61 HN ARG 61 4.446 2.047 -5.749
470 HA ARG 61 HA ARG 61 6.096 4.215 -6.388
471 HB2 ARG 61 HB2 ARG 61 4.463 3.739 -3.885
472 HB3 ARG 61 HB1 ARG 61 5.128 5.290 -4.372
473 HG2 ARG 61 HG2 ARG 61 3.701 5.368 -6.293
474 HG3 ARG 61 HG1 ARG 61 3.139 3.722 -5.992
475 HD2 ARG 61 HD2 ARG 61 2.077 4.396 -3.952
476 HD3 ARG 61 HD1 ARG 61 2.775 6.006 -4.066
477 HE ARG 61 HE ARG 61 1.047 5.217 -6.260
478 HH11 ARG 61 HH11 ARG 61 1.355 6.866 -3.197
479 HH12 ARG 61 HH12 ARG 61 -0.080 7.832 -3.424
480 HH21 ARG 61 HH21 ARG 61 -0.846 6.471 -6.559
481 HH22 ARG 61 HH22 ARG 61 -1.339 7.591 -5.321
482 H ILE 62 HN ILE 62 6.222 1.874 -3.776
483 HA ILE 62 HA ILE 62 8.338 3.209 -2.369
484 HB ILE 62 HB ILE 62 7.248 0.415 -2.015
485 HG12 ILE 62 HG12 ILE 62 6.538 2.964 -0.554
486 HG13 ILE 62 HG11 ILE 62 5.530 2.171 -1.760
487 HG21 ILE 62 HG21 ILE 62 8.187 0.582 0.262
488 HG22 ILE 62 HG22 ILE 62 8.929 2.124 -0.185
489 HG23 ILE 62 HG23 ILE 62 9.425 0.636 -0.998
490 HD11 ILE 62 HD11 ILE 62 4.833 1.721 0.548
491 HD12 ILE 62 HD12 ILE 62 6.387 0.943 0.841
492 HD13 ILE 62 HD13 ILE 62 5.265 0.258 -0.336
493 H GLY 63 HN GLY 63 8.041 0.500 -4.587
494 HA2 GLY 63 HA2 GLY 63 10.638 -0.538 -4.350
495 HA3 GLY 63 HA1 GLY 63 9.612 -0.677 -5.769
496 H ASP 64 HN ASP 64 9.383 2.124 -6.288
497 HA ASP 64 HA ASP 64 11.914 2.587 -7.601
498 HB2 ASP 64 HB2 ASP 64 9.829 3.133 -8.752
499 HB3 ASP 64 HB1 ASP 64 9.391 4.259 -7.473
500 H PHE 65 HN PHE 65 10.183 3.799 -4.824
501 HA PHE 65 HA PHE 65 11.591 6.108 -4.215
502 HB2 PHE 65 HB2 PHE 65 9.607 5.413 -2.976
503 HB3 PHE 65 HB1 PHE 65 10.460 4.010 -2.343
504 HD1 PHE 65 HD1 PHE 65 10.296 7.698 -2.250
505 HD2 PHE 65 HD2 PHE 65 11.810 4.167 -0.420
506 HE1 PHE 65 HE1 PHE 65 10.991 9.013 -0.295
507 HE2 PHE 65 HE2 PHE 65 12.511 5.479 1.539
508 HZ PHE 65 HZ PHE 65 12.103 7.906 1.600
509 H TYR 66 HN TYR 66 12.273 2.784 -3.193
510 HA TYR 66 HA TYR 66 14.641 3.285 -1.801
511 HB2 TYR 66 HB2 TYR 66 13.363 0.914 -3.045
512 HB3 TYR 66 HB1 TYR 66 15.073 0.788 -2.668
513 HD1 TYR 66 HD2 TYR 66 11.809 1.705 -1.104
514 HD2 TYR 66 HD1 TYR 66 15.741 0.181 -0.547
515 HE1 TYR 66 HE2 TYR 66 11.262 1.158 1.230
516 HE2 TYR 66 HE1 TYR 66 15.214 -0.366 1.783
517 HH TYR 66 HH TYR 66 13.666 -0.374 3.373
518 H GLN 67 HN GLN 67 14.071 2.664 -5.223
519 HA GLN 67 HA GLN 67 16.723 2.228 -6.007
520 HB2 GLN 67 HB2 GLN 67 14.416 3.383 -7.581
521 HB3 GLN 67 HB1 GLN 67 15.940 2.853 -8.284
522 HG2 GLN 67 HG2 GLN 67 15.499 0.582 -7.436
523 HG3 GLN 67 HG1 GLN 67 13.941 1.135 -6.833
524 HE21 GLN 67 HE21 GLN 67 12.822 -0.295 -8.130
525 HE22 GLN 67 HE22 GLN 67 12.679 -0.080 -9.841
526 H GLU 68 HN GLU 68 14.873 5.203 -5.631
527 HA GLU 68 HA GLU 68 16.868 6.884 -6.800
528 HB2 GLU 68 HB2 GLU 68 14.621 7.639 -4.929
529 HB3 GLU 68 HB1 GLU 68 15.538 8.739 -5.949
530 HG2 GLU 68 HG2 GLU 68 14.699 7.478 -7.926
531 HG3 GLU 68 HG1 GLU 68 13.652 6.576 -6.833
532 H LYS 69 HN LYS 69 16.460 5.451 -3.723
533 HA LYS 69 HA LYS 69 18.230 7.329 -2.388
534 HB2 LYS 69 HB2 LYS 69 17.132 4.711 -1.355
535 HB3 LYS 69 HB1 LYS 69 17.879 5.986 -0.404
536 HG2 LYS 69 HG2 LYS 69 15.258 6.155 -1.876
537 HG3 LYS 69 HG1 LYS 69 15.480 6.024 -0.132
538 HD2 LYS 69 HD2 LYS 69 16.562 8.189 -0.072
539 HD3 LYS 69 HD1 LYS 69 16.475 8.309 -1.831
540 HE2 LYS 69 HE2 LYS 69 14.012 8.216 -1.674
541 HE3 LYS 69 HE1 LYS 69 14.150 8.205 0.081
542 HZ1 LYS 69 HZ1 LYS 69 13.692 10.418 -0.781
543 HZ2 LYS 69 HZ2 LYS 69 15.113 10.376 -1.698
544 HZ3 LYS 69 HZ3 LYS 69 15.196 10.367 -0.009
545 H GLY 70 HN GLY 70 18.584 4.804 -4.474
546 HA2 GLY 70 HA2 GLY 70 20.845 4.287 -5.187
547 HA3 GLY 70 HA1 GLY 70 21.319 4.292 -3.495
548 H TYR 71 HN TYR 71 18.478 2.829 -3.329
549 HA TYR 71 HA TYR 71 19.709 0.190 -3.352
550 HB2 TYR 71 HB2 TYR 71 16.932 0.950 -2.437
551 HB3 TYR 71 HB1 TYR 71 17.793 -0.543 -2.084
552 HD1 TYR 71 HD1 TYR 71 20.020 -0.275 -0.750
553 HD2 TYR 71 HD2 TYR 71 16.978 2.687 -0.938
554 HE1 TYR 71 HE1 TYR 71 20.891 0.745 1.309
555 HE2 TYR 71 HE2 TYR 71 17.840 3.716 1.115
556 HH TYR 71 HH TYR 71 20.852 3.008 2.405
557 H VAL 72 HN VAL 72 19.815 0.266 -5.716
558 HA VAL 72 HA VAL 72 17.439 0.387 -7.290
559 HB VAL 72 HB VAL 72 20.136 -0.687 -8.124
560 HG11 VAL 72 HG11 VAL 72 18.335 -1.153 -9.698
561 HG12 VAL 72 HG12 VAL 72 19.451 0.041 -10.359
562 HG13 VAL 72 HG13 VAL 72 17.893 0.553 -9.714
563 HG21 VAL 72 HG21 VAL 72 20.386 1.522 -7.106
564 HG22 VAL 72 HG22 VAL 72 19.143 2.161 -8.183
565 HG23 VAL 72 HG23 VAL 72 20.670 1.580 -8.844
566 H LEU 73 HN LEU 73 19.187 -2.119 -5.685
567 HA LEU 73 HA LEU 73 17.986 -4.287 -7.147
568 HB2 LEU 73 HB2 LEU 73 19.546 -4.231 -4.577
569 HB3 LEU 73 HB1 LEU 73 19.024 -5.697 -5.380
570 HG LEU 73 HG LEU 73 20.905 -3.656 -6.564
571 HD11 LEU 73 HD11 LEU 73 21.457 -6.366 -5.361
572 HD12 LEU 73 HD12 LEU 73 21.922 -4.809 -4.678
573 HD13 LEU 73 HD13 LEU 73 22.634 -5.353 -6.195
574 HD21 LEU 73 HD21 LEU 73 21.317 -5.397 -8.250
575 HD22 LEU 73 HD22 LEU 73 19.645 -4.837 -8.265
576 HD23 LEU 73 HD23 LEU 73 20.051 -6.385 -7.522
577 H ALA 74 HN ALA 74 16.895 -2.179 -4.820
578 HA ALA 74 HA ALA 74 15.339 -4.088 -3.299
579 HB1 ALA 74 HB1 ALA 74 16.347 -2.213 -2.133
580 HB2 ALA 74 HB2 ALA 74 14.589 -2.129 -2.026
581 HB3 ALA 74 HB3 ALA 74 15.456 -1.083 -3.149
582 H ARG 75 HN ARG 75 13.191 -4.403 -3.409
583 HA ARG 75 HA ARG 75 11.536 -2.686 -5.082
584 HB2 ARG 75 HB2 ARG 75 12.343 -4.437 -6.619
585 HB3 ARG 75 HB1 ARG 75 11.742 -5.674 -5.525
586 HG2 ARG 75 HG2 ARG 75 10.158 -5.476 -7.263
587 HG3 ARG 75 HG1 ARG 75 9.450 -4.694 -5.850
588 HD2 ARG 75 HD2 ARG 75 10.227 -2.509 -6.741
589 HD3 ARG 75 HD1 ARG 75 10.763 -3.342 -8.198
590 HE ARG 75 HE ARG 75 7.976 -3.687 -7.457
591 HH11 ARG 75 HH11 ARG 75 10.321 -2.081 -9.493
592 HH12 ARG 75 HH12 ARG 75 9.139 -1.484 -10.614
593 HH21 ARG 75 HH21 ARG 75 6.409 -2.923 -8.938
594 HH22 ARG 75 HH22 ARG 75 6.908 -1.969 -10.299
595 H ALA 76 HN ALA 76 9.608 -2.387 -4.154
596 HA ALA 76 HA ALA 76 8.815 -4.175 -1.973
597 HB1 ALA 76 HB1 ALA 76 7.309 -2.382 -1.284
598 HB2 ALA 76 HB2 ALA 76 7.787 -1.430 -2.691
599 HB3 ALA 76 HB3 ALA 76 8.965 -1.790 -1.427
600 H PHE 77 HN PHE 77 7.048 -5.439 -2.147
601 HA PHE 77 HA PHE 77 5.146 -4.916 -4.309
602 HB2 PHE 77 HB2 PHE 77 5.157 -7.283 -4.992
603 HB3 PHE 77 HB1 PHE 77 6.720 -6.524 -5.255
604 HD1 PHE 77 HD1 PHE 77 8.627 -7.080 -3.794
605 HD2 PHE 77 HD2 PHE 77 4.892 -9.095 -3.478
606 HE1 PHE 77 HE1 PHE 77 9.714 -8.885 -2.524
607 HE2 PHE 77 HE2 PHE 77 5.969 -10.900 -2.204
608 HZ PHE 77 HZ PHE 77 8.384 -10.798 -1.727
609 H LEU 78 HN LEU 78 3.062 -5.561 -3.877
610 HA LEU 78 HA LEU 78 2.552 -6.250 -1.087
611 HB2 LEU 78 HB2 LEU 78 1.434 -4.304 -2.306
612 HB3 LEU 78 HB1 LEU 78 0.518 -5.515 -3.184
613 HG LEU 78 HG LEU 78 0.467 -5.584 -0.201
614 HD11 LEU 78 HD11 LEU 78 -1.067 -3.657 -1.935
615 HD12 LEU 78 HD12 LEU 78 0.044 -3.260 -0.625
616 HD13 LEU 78 HD13 LEU 78 -1.491 -4.052 -0.270
617 HD21 LEU 78 HD21 LEU 78 -1.607 -6.119 -2.316
618 HD22 LEU 78 HD22 LEU 78 -1.738 -6.468 -0.590
619 HD23 LEU 78 HD23 LEU 78 -0.568 -7.339 -1.581
620 HA PRO 79 HA PRO 79 2.229 -10.401 -2.719
621 HB2 PRO 79 HB2 PRO 79 2.373 -11.696 -0.378
622 HB3 PRO 79 HB1 PRO 79 3.782 -10.884 -1.072
623 HG2 PRO 79 HG2 PRO 79 1.915 -9.932 1.072
624 HG3 PRO 79 HG1 PRO 79 3.686 -9.867 1.026
625 HD2 PRO 79 HD2 PRO 79 2.098 -7.743 0.400
626 HD3 PRO 79 HD1 PRO 79 3.708 -7.995 -0.304
627 H ALA 80 HN ALA 80 -0.002 -8.731 -0.847
628 HA ALA 80 HA ALA 80 -2.199 -8.936 -0.395
629 HB1 ALA 80 HB1 ALA 80 -2.133 -11.247 -2.334
630 HB2 ALA 80 HB2 ALA 80 -2.470 -9.562 -2.731
631 HB3 ALA 80 HB3 ALA 80 -3.585 -10.466 -1.708
632 H GLN 81 HN GLN 81 -1.993 -12.397 -0.896
633 HA GLN 81 HA GLN 81 -2.304 -14.158 0.508
634 HB2 GLN 81 HB2 GLN 81 0.042 -13.483 1.033
635 HB3 GLN 81 HB1 GLN 81 -0.568 -12.516 2.366
636 HG2 GLN 81 HG2 GLN 81 -1.433 -14.537 3.433
637 HG3 GLN 81 HG1 GLN 81 -0.817 -15.504 2.095
638 HE21 GLN 81 HE21 GLN 81 0.031 -13.579 4.872
639 HE22 GLN 81 HE22 GLN 81 1.661 -14.149 5.013
640 H GLU 82 HN GLU 82 -4.516 -12.784 0.514
641 HA GLU 82 HA GLU 82 -6.407 -12.198 1.608
642 HB2 GLU 82 HB2 GLU 82 -5.126 -13.879 3.761
643 HB3 GLU 82 HB1 GLU 82 -6.760 -13.236 3.877
644 HG2 GLU 82 HG2 GLU 82 -7.437 -14.483 1.932
645 HG3 GLU 82 HG1 GLU 82 -5.785 -15.045 1.681
646 H ILE 83 HN ILE 83 -5.853 -10.023 1.544
647 HA ILE 83 HA ILE 83 -4.269 -8.732 3.514
648 HB ILE 83 HB ILE 83 -6.281 -7.533 1.618
649 HG12 ILE 83 HG12 ILE 83 -3.311 -7.992 1.279
650 HG13 ILE 83 HG11 ILE 83 -4.583 -8.892 0.460
651 HG21 ILE 83 HG21 ILE 83 -4.963 -5.486 1.861
652 HG22 ILE 83 HG22 ILE 83 -3.939 -6.292 3.049
653 HG23 ILE 83 HG23 ILE 83 -5.642 -6.007 3.404
654 HD11 ILE 83 HD11 ILE 83 -5.291 -6.844 -0.669
655 HD12 ILE 83 HD12 ILE 83 -3.603 -7.236 -1.008
656 HD13 ILE 83 HD13 ILE 83 -3.999 -5.959 0.142
657 H GLN 84 HN GLN 84 -4.869 -7.467 5.254
658 HA GLN 84 HA GLN 84 -7.205 -8.219 6.673
659 HB2 GLN 84 HB2 GLN 84 -5.390 -5.843 7.159
660 HB3 GLN 84 HB1 GLN 84 -6.542 -6.510 8.302
661 HG2 GLN 84 HG2 GLN 84 -4.570 -7.376 9.072
662 HG3 GLN 84 HG1 GLN 84 -5.141 -8.682 8.040
663 HE21 GLN 84 HE21 GLN 84 -4.029 -9.175 6.179
664 HE22 GLN 84 HE22 GLN 84 -2.485 -8.495 5.792
665 H ASP 85 HN ASP 85 -8.965 -6.847 7.298
666 HA ASP 85 HA ASP 85 -9.932 -5.261 5.095
667 HB2 ASP 85 HB2 ASP 85 -12.006 -5.078 6.471
668 HB3 ASP 85 HB1 ASP 85 -11.501 -6.737 6.178
669 H GLY 86 HN GLY 86 -7.806 -3.955 5.852
670 HA2 GLY 86 HA2 GLY 86 -8.485 -1.360 6.258
671 HA3 GLY 86 HA1 GLY 86 -8.316 -1.984 7.894
672 H THR 87 HN THR 87 -6.212 -3.719 7.627
673 HA THR 87 HA THR 87 -4.013 -1.886 7.059
674 HB THR 87 HB THR 87 -3.846 -4.624 8.331
675 HG1 THR 87 HG1 THR 87 -5.053 -2.531 9.330
676 HG21 THR 87 HG21 THR 87 -1.740 -3.681 7.453
677 HG22 THR 87 HG22 THR 87 -1.730 -3.813 9.211
678 HG23 THR 87 HG23 THR 87 -1.988 -2.245 8.448
679 H VAL 88 HN VAL 88 -3.019 -1.992 5.167
680 HA VAL 88 HA VAL 88 -3.007 -4.541 3.706
681 HB VAL 88 HB VAL 88 -2.316 -3.237 1.734
682 HG11 VAL 88 HG11 VAL 88 -4.771 -2.133 3.094
683 HG12 VAL 88 HG12 VAL 88 -4.693 -3.590 2.104
684 HG13 VAL 88 HG13 VAL 88 -4.410 -2.012 1.372
685 HG21 VAL 88 HG21 VAL 88 -2.642 -0.825 3.509
686 HG22 VAL 88 HG22 VAL 88 -2.298 -0.808 1.779
687 HG23 VAL 88 HG23 VAL 88 -1.110 -1.462 2.910
688 H ARG 89 HN ARG 89 -1.067 -5.561 3.230
689 HA ARG 89 HA ARG 89 1.278 -4.361 4.547
690 HB2 ARG 89 HB2 ARG 89 0.256 -6.511 5.505
691 HB3 ARG 89 HB1 ARG 89 0.959 -7.302 4.097
692 HG2 ARG 89 HG2 ARG 89 3.166 -6.370 4.748
693 HG3 ARG 89 HG1 ARG 89 2.418 -5.773 6.231
694 HD2 ARG 89 HD2 ARG 89 2.631 -8.628 5.335
695 HD3 ARG 89 HD1 ARG 89 3.512 -7.862 6.652
696 HE ARG 89 HE ARG 89 1.054 -7.479 7.497
697 HH11 ARG 89 HH11 ARG 89 2.447 -10.339 6.040
698 HH12 ARG 89 HH12 ARG 89 1.348 -11.427 6.831
699 HH21 ARG 89 HH21 ARG 89 -0.379 -8.908 8.550
700 HH22 ARG 89 HH22 ARG 89 -0.252 -10.616 8.265
701 H ILE 90 HN ILE 90 3.113 -4.147 3.471
702 HA ILE 90 HA ILE 90 3.271 -5.277 0.754
703 HB ILE 90 HB ILE 90 4.390 -2.642 1.723
704 HG12 ILE 90 HG12 ILE 90 2.106 -3.250 -0.163
705 HG13 ILE 90 HG11 ILE 90 1.953 -2.597 1.464
706 HG21 ILE 90 HG21 ILE 90 4.441 -3.888 -1.022
707 HG22 ILE 90 HG22 ILE 90 5.825 -3.668 0.048
708 HG23 ILE 90 HG23 ILE 90 4.995 -2.263 -0.622
709 HD11 ILE 90 HD11 ILE 90 1.686 -0.866 -0.209
710 HD12 ILE 90 HD12 ILE 90 3.281 -1.235 -0.865
711 HD13 ILE 90 HD13 ILE 90 3.128 -0.580 0.764
712 H GLU 91 HN GLU 91 5.111 -6.335 0.216
713 HA GLU 91 HA GLU 91 7.061 -6.810 2.339
714 HB2 GLU 91 HB2 GLU 91 6.448 -8.171 -0.279
715 HB3 GLU 91 HB1 GLU 91 7.917 -8.524 0.616
716 HG2 GLU 91 HG2 GLU 91 5.196 -8.772 1.843
717 HG3 GLU 91 HG1 GLU 91 5.954 -10.083 0.942
718 H VAL 92 HN VAL 92 8.896 -5.721 2.374
719 HA VAL 92 HA VAL 92 9.746 -4.328 -0.064
720 HB VAL 92 HB VAL 92 10.682 -3.853 2.770
721 HG11 VAL 92 HG11 VAL 92 11.034 -2.218 0.260
722 HG12 VAL 92 HG12 VAL 92 12.284 -3.165 1.065
723 HG13 VAL 92 HG13 VAL 92 11.581 -1.765 1.874
724 HG21 VAL 92 HG21 VAL 92 8.322 -3.327 2.590
725 HG22 VAL 92 HG22 VAL 92 8.622 -2.365 1.143
726 HG23 VAL 92 HG23 VAL 92 9.265 -1.840 2.700
727 H LEU 93 HN LEU 93 10.984 -5.716 -1.188
728 HA LEU 93 HA LEU 93 13.064 -7.252 0.130
729 HB2 LEU 93 HB2 LEU 93 11.900 -8.303 -1.713
730 HB3 LEU 93 HB1 LEU 93 12.282 -6.959 -2.772
731 HG LEU 93 HG LEU 93 14.691 -7.553 -2.591
732 HD11 LEU 93 HD11 LEU 93 13.657 -9.989 -1.151
733 HD12 LEU 93 HD12 LEU 93 14.616 -8.693 -0.436
734 HD13 LEU 93 HD13 LEU 93 15.316 -9.722 -1.684
735 HD21 LEU 93 HD21 LEU 93 13.369 -8.312 -4.483
736 HD22 LEU 93 HD22 LEU 93 12.870 -9.742 -3.579
737 HD23 LEU 93 HD23 LEU 93 14.561 -9.529 -4.029
738 H GLU 94 HN GLU 94 14.388 -5.641 0.970
739 HA GLU 94 HA GLU 94 15.404 -3.499 -0.630
740 HB2 GLU 94 HB2 GLU 94 16.514 -4.553 1.972
741 HB3 GLU 94 HB1 GLU 94 16.747 -2.950 1.287
742 HG2 GLU 94 HG2 GLU 94 14.376 -2.474 1.577
743 HG3 GLU 94 HG1 GLU 94 14.133 -4.084 2.252
744 H GLY 95 HN GLY 95 16.472 -6.693 0.276
745 HA2 GLY 95 HA2 GLY 95 17.987 -7.522 -1.675
746 HA3 GLY 95 HA1 GLY 95 19.066 -6.296 -1.018
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 -30.366 -6.573 9.699
2 H2 MET 1 HT2 MET 1 -31.895 -6.305 10.359
3 H3 MET 1 HT3 MET 1 -30.533 -5.617 11.080
4 HA MET 1 HA MET 1 -31.502 -4.991 8.364
5 HB2 MET 1 HB2 MET 1 -33.071 -4.196 10.073
6 HB3 MET 1 HB1 MET 1 -31.755 -3.407 10.929
7 HG2 MET 1 HG2 MET 1 -31.404 -1.916 9.034
8 HG3 MET 1 HG1 MET 1 -32.707 -2.717 8.159
9 HE1 MET 1 HE1 MET 1 -31.773 -0.524 11.276
10 HE2 MET 1 HE2 MET 1 -32.632 -1.874 12.020
11 HE3 MET 1 HE3 MET 1 -33.350 -0.263 12.021
12 H ALA 2 HN ALA 2 -29.512 -5.001 7.408
13 HA ALA 2 HA ALA 2 -27.550 -4.142 6.669
14 HB1 ALA 2 HB1 ALA 2 -28.596 -1.611 7.919
15 HB2 ALA 2 HB2 ALA 2 -29.043 -2.228 6.329
16 HB3 ALA 2 HB3 ALA 2 -27.381 -1.732 6.648
17 H HIS 3 HN HIS 3 -26.926 -5.556 8.840
18 HA HIS 3 HA HIS 3 -25.263 -3.844 10.525
19 HB2 HIS 3 HB2 HIS 3 -26.173 -6.681 10.739
20 HB3 HIS 3 HB1 HIS 3 -24.700 -6.197 11.566
21 HD1 HIS 3 HD1 HIS 3 -25.090 -5.520 13.898
22 HD2 HIS 3 HD2 HIS 3 -28.388 -4.718 11.499
23 HE1 HIS 3 HE1 HIS 3 -26.821 -4.542 15.435
24 HE2 HIS 3 HE2 HIS 3 -28.827 -4.110 13.973
25 H HIS 4 HN HIS 4 -24.350 -3.621 8.106
26 HA HIS 4 HA HIS 4 -21.677 -4.528 8.343
27 HB2 HIS 4 HB2 HIS 4 -21.464 -5.892 6.372
28 HB3 HIS 4 HB1 HIS 4 -22.746 -6.581 7.355
29 HD1 HIS 4 HD1 HIS 4 -21.996 -5.610 3.973
30 HD2 HIS 4 HD2 HIS 4 -25.427 -5.770 6.321
31 HE1 HIS 4 HE1 HIS 4 -23.925 -5.574 2.360
32 HE2 HIS 4 HE2 HIS 4 -25.980 -5.812 3.793
33 H HIS 5 HN HIS 5 -20.390 -3.040 7.429
34 HA HIS 5 HA HIS 5 -21.218 -1.518 5.121
35 HB2 HIS 5 HB2 HIS 5 -22.352 -0.281 6.916
36 HB3 HIS 5 HB1 HIS 5 -20.839 -0.142 7.798
37 HD1 HIS 5 HD1 HIS 5 -22.590 1.198 4.724
38 HD2 HIS 5 HD2 HIS 5 -19.216 1.960 7.036
39 HE1 HIS 5 HE1 HIS 5 -21.707 3.414 3.931
40 HE2 HIS 5 HE2 HIS 5 -19.594 3.788 5.247
41 H HIS 6 HN HIS 6 -19.331 -2.695 4.411
42 HA HIS 6 HA HIS 6 -16.785 -1.899 5.572
43 HB2 HIS 6 HB2 HIS 6 -17.268 -4.262 4.770
44 HB3 HIS 6 HB1 HIS 6 -17.202 -3.624 3.130
45 HD1 HIS 6 HD1 HIS 6 -14.983 -4.034 2.102
46 HD2 HIS 6 HD2 HIS 6 -14.708 -3.367 6.194
47 HE1 HIS 6 HE1 HIS 6 -12.538 -4.207 2.653
48 HE2 HIS 6 HE2 HIS 6 -12.433 -4.021 5.170
49 H HIS 7 HN HIS 7 -18.670 -1.430 2.646
50 HA HIS 7 HA HIS 7 -16.688 0.020 1.231
51 HB2 HIS 7 HB2 HIS 7 -19.686 -0.138 0.944
52 HB3 HIS 7 HB1 HIS 7 -18.697 0.886 -0.094
53 HD1 HIS 7 HD1 HIS 7 -20.219 -2.284 -0.143
54 HD2 HIS 7 HD2 HIS 7 -16.469 -0.880 -1.255
55 HE1 HIS 7 HE1 HIS 7 -19.308 -3.991 -1.741
56 HE2 HIS 7 HE2 HIS 7 -17.050 -3.109 -2.429
57 H HIS 8 HN HIS 8 -16.237 2.123 1.142
58 HA HIS 8 HA HIS 8 -17.723 3.930 2.931
59 HB2 HIS 8 HB2 HIS 8 -15.661 3.161 4.068
60 HB3 HIS 8 HB1 HIS 8 -14.707 3.747 2.712
61 HD1 HIS 8 HD1 HIS 8 -16.710 4.949 5.650
62 HD2 HIS 8 HD2 HIS 8 -14.215 6.488 2.705
63 HE1 HIS 8 HE1 HIS 8 -16.203 7.303 6.356
64 HE2 HIS 8 HE2 HIS 8 -14.888 8.277 4.447
65 H VAL 9 HN VAL 9 -15.937 3.358 0.030
66 HA VAL 9 HA VAL 9 -16.655 6.046 -0.920
67 HB VAL 9 HB VAL 9 -13.995 4.712 -1.462
68 HG11 VAL 9 HG11 VAL 9 -15.038 7.423 -2.276
69 HG12 VAL 9 HG12 VAL 9 -14.803 6.039 -3.343
70 HG13 VAL 9 HG13 VAL 9 -13.413 6.809 -2.578
71 HG21 VAL 9 HG21 VAL 9 -13.962 5.516 0.780
72 HG22 VAL 9 HG22 VAL 9 -14.717 7.036 0.308
73 HG23 VAL 9 HG23 VAL 9 -13.071 6.675 -0.207
74 H ASP 10 HN ASP 10 -15.202 2.990 -2.026
75 HA ASP 10 HA ASP 10 -15.385 1.836 -3.980
76 HB2 ASP 10 HB2 ASP 10 -17.448 1.192 -2.731
77 HB3 ASP 10 HB1 ASP 10 -18.324 2.445 -3.601
78 H ASP 11 HN ASP 11 -14.462 4.167 -4.629
79 HA ASP 11 HA ASP 11 -15.911 4.893 -7.080
80 HB2 ASP 11 HB2 ASP 11 -16.251 6.623 -5.289
81 HB3 ASP 11 HB1 ASP 11 -14.510 6.873 -5.263
82 H ASP 12 HN ASP 12 -14.018 3.022 -7.085
83 HA ASP 12 HA ASP 12 -11.694 4.365 -8.280
84 HB2 ASP 12 HB2 ASP 12 -11.130 3.564 -5.986
85 HB3 ASP 12 HB1 ASP 12 -11.548 1.930 -6.486
86 H ASP 13 HN ASP 13 -10.681 3.199 -9.948
87 HA ASP 13 HA ASP 13 -12.455 1.831 -11.645
88 HB2 ASP 13 HB2 ASP 13 -10.527 3.105 -12.486
89 HB3 ASP 13 HB1 ASP 13 -9.432 1.932 -11.760
90 H LYS 14 HN LYS 14 -13.301 -0.036 -10.970
91 HA LYS 14 HA LYS 14 -11.583 -2.031 -9.710
92 HB2 LYS 14 HB2 LYS 14 -13.863 -1.239 -8.792
93 HB3 LYS 14 HB1 LYS 14 -14.572 -2.204 -10.074
94 HG2 LYS 14 HG2 LYS 14 -12.613 -3.473 -8.223
95 HG3 LYS 14 HG1 LYS 14 -14.256 -3.170 -7.664
96 HD2 LYS 14 HD2 LYS 14 -13.558 -4.706 -10.163
97 HD3 LYS 14 HD1 LYS 14 -13.909 -5.448 -8.602
98 HE2 LYS 14 HE2 LYS 14 -15.785 -3.723 -10.221
99 HE3 LYS 14 HE1 LYS 14 -15.874 -5.473 -10.041
100 HZ1 LYS 14 HZ1 LYS 14 -16.257 -5.178 -7.678
101 HZ2 LYS 14 HZ2 LYS 14 -17.429 -4.354 -8.577
102 HZ3 LYS 14 HZ3 LYS 14 -16.169 -3.496 -7.845
103 H MET 15 HN MET 15 -10.543 -2.281 -11.866
104 HA MET 15 HA MET 15 -12.078 -4.137 -13.560
105 HB2 MET 15 HB2 MET 15 -11.364 -2.086 -14.725
106 HB3 MET 15 HB1 MET 15 -9.692 -2.435 -14.310
107 HG2 MET 15 HG2 MET 15 -9.785 -4.480 -15.640
108 HG3 MET 15 HG1 MET 15 -11.463 -4.135 -16.052
109 HE1 MET 15 HE1 MET 15 -11.144 -0.914 -18.235
110 HE2 MET 15 HE2 MET 15 -11.377 -0.948 -16.489
111 HE3 MET 15 HE3 MET 15 -12.238 -2.095 -17.516
112 H GLY 16 HN GLY 16 -8.915 -3.513 -12.094
113 HA2 GLY 16 HA2 GLY 16 -7.864 -6.081 -12.849
114 HA3 GLY 16 HA1 GLY 16 -7.102 -4.911 -11.782
115 H GLY 17 HN GLY 17 -9.904 -5.018 -10.361
116 HA2 GLY 17 HA2 GLY 17 -10.510 -7.422 -9.280
117 HA3 GLY 17 HA1 GLY 17 -9.065 -6.952 -8.395
118 HA PRO 18 HA PRO 18 -13.166 -5.136 -6.619
119 HB2 PRO 18 HB2 PRO 18 -12.845 -6.406 -4.179
120 HB3 PRO 18 HB1 PRO 18 -13.900 -6.967 -5.481
121 HG2 PRO 18 HG2 PRO 18 -11.135 -7.853 -4.766
122 HG3 PRO 18 HG1 PRO 18 -12.526 -8.823 -5.286
123 HD2 PRO 18 HD2 PRO 18 -10.548 -8.232 -6.983
124 HD3 PRO 18 HD1 PRO 18 -12.240 -8.260 -7.525
125 H THR 19 HN THR 19 -13.217 -3.485 -5.090
126 HA THR 19 HA THR 19 -10.650 -2.311 -4.539
127 HB THR 19 HB THR 19 -12.049 -0.453 -3.557
128 HG1 THR 19 HG1 THR 19 -14.347 -0.657 -4.307
129 HG21 THR 19 HG21 THR 19 -12.889 0.308 -5.754
130 HG22 THR 19 HG22 THR 19 -12.611 -1.310 -6.398
131 HG23 THR 19 HG23 THR 19 -11.249 -0.334 -5.846
132 H VAL 20 HN VAL 20 -9.661 -2.054 -2.634
133 HA VAL 20 HA VAL 20 -10.918 -3.280 -0.278
134 HB VAL 20 HB VAL 20 -8.000 -2.994 -0.854
135 HG11 VAL 20 HG11 VAL 20 -9.419 -4.366 1.416
136 HG12 VAL 20 HG12 VAL 20 -8.468 -2.884 1.523
137 HG13 VAL 20 HG13 VAL 20 -7.680 -4.412 1.124
138 HG21 VAL 20 HG21 VAL 20 -8.983 -4.656 -2.314
139 HG22 VAL 20 HG22 VAL 20 -9.748 -5.442 -0.931
140 HG23 VAL 20 HG23 VAL 20 -7.991 -5.443 -1.086
141 H LEU 21 HN LEU 21 -11.539 -1.830 1.182
142 HA LEU 21 HA LEU 21 -10.652 0.846 1.218
143 HB2 LEU 21 HB2 LEU 21 -12.803 0.164 2.191
144 HB3 LEU 21 HB1 LEU 21 -11.960 -0.777 3.405
145 HG LEU 21 HG LEU 21 -10.924 1.362 4.224
146 HD11 LEU 21 HD11 LEU 21 -12.959 2.589 2.372
147 HD12 LEU 21 HD12 LEU 21 -11.204 2.734 2.258
148 HD13 LEU 21 HD13 LEU 21 -12.063 3.457 3.619
149 HD21 LEU 21 HD21 LEU 21 -13.925 1.136 4.309
150 HD22 LEU 21 HD22 LEU 21 -12.930 2.077 5.422
151 HD23 LEU 21 HD23 LEU 21 -12.778 0.320 5.375
152 H VAL 22 HN VAL 22 -8.717 1.514 1.735
153 HA VAL 22 HA VAL 22 -7.147 -0.005 3.687
154 HB VAL 22 HB VAL 22 -6.244 2.222 1.852
155 HG11 VAL 22 HG11 VAL 22 -4.917 1.993 3.913
156 HG12 VAL 22 HG12 VAL 22 -3.995 1.565 2.474
157 HG13 VAL 22 HG13 VAL 22 -4.629 0.296 3.524
158 HG21 VAL 22 HG21 VAL 22 -5.868 -0.757 1.607
159 HG22 VAL 22 HG22 VAL 22 -5.143 0.463 0.561
160 HG23 VAL 22 HG23 VAL 22 -6.893 0.252 0.585
161 H LYS 23 HN LYS 23 -6.618 0.834 5.612
162 HA LYS 23 HA LYS 23 -7.382 3.628 6.133
163 HB2 LYS 23 HB2 LYS 23 -7.442 1.263 8.016
164 HB3 LYS 23 HB1 LYS 23 -7.765 2.926 8.483
165 HG2 LYS 23 HG2 LYS 23 -9.688 2.994 7.000
166 HG3 LYS 23 HG1 LYS 23 -9.355 1.344 6.476
167 HD2 LYS 23 HD2 LYS 23 -9.732 0.534 8.743
168 HD3 LYS 23 HD1 LYS 23 -10.026 2.185 9.294
169 HE2 LYS 23 HE2 LYS 23 -11.963 2.352 7.842
170 HE3 LYS 23 HE1 LYS 23 -11.649 0.740 7.206
171 HZ1 LYS 23 HZ1 LYS 23 -12.011 -0.140 9.450
172 HZ2 LYS 23 HZ2 LYS 23 -13.376 0.654 8.854
173 HZ3 LYS 23 HZ3 LYS 23 -12.391 1.413 9.999
174 H ARG 24 HN ARG 24 -4.976 1.147 6.353
175 HA ARG 24 HA ARG 24 -2.943 3.131 6.658
176 HB2 ARG 24 HB2 ARG 24 -1.918 2.261 8.692
177 HB3 ARG 24 HB1 ARG 24 -3.557 2.801 9.029
178 HG2 ARG 24 HG2 ARG 24 -4.359 0.541 9.067
179 HG3 ARG 24 HG1 ARG 24 -2.792 -0.068 8.532
180 HD2 ARG 24 HD2 ARG 24 -3.038 -0.406 10.915
181 HD3 ARG 24 HD1 ARG 24 -1.778 0.785 10.602
182 HE ARG 24 HE ARG 24 -4.400 1.886 11.113
183 HH11 ARG 24 HH11 ARG 24 -1.342 0.902 12.481
184 HH12 ARG 24 HH12 ARG 24 -1.525 1.862 13.914
185 HH21 ARG 24 HH21 ARG 24 -4.655 3.157 13.008
186 HH22 ARG 24 HH22 ARG 24 -3.411 3.135 14.217
187 H PHE 25 HN PHE 25 -0.839 2.315 6.269
188 HA PHE 25 HA PHE 25 -0.849 -0.314 4.948
189 HB2 PHE 25 HB2 PHE 25 0.926 2.106 4.567
190 HB3 PHE 25 HB1 PHE 25 1.256 0.542 3.832
191 HD1 PHE 25 HD1 PHE 25 -1.398 3.135 4.078
192 HD2 PHE 25 HD2 PHE 25 0.389 0.060 1.753
193 HE1 PHE 25 HE1 PHE 25 -2.836 3.740 2.182
194 HE2 PHE 25 HE2 PHE 25 -1.035 0.660 -0.147
195 HZ PHE 25 HZ PHE 25 -2.701 2.465 0.080
196 H GLN 26 HN GLN 26 0.702 -1.821 5.410
197 HA GLN 26 HA GLN 26 2.545 -1.199 7.622
198 HB2 GLN 26 HB2 GLN 26 0.679 -2.675 8.349
199 HB3 GLN 26 HB1 GLN 26 1.147 -3.843 7.121
200 HG2 GLN 26 HG2 GLN 26 2.094 -4.662 9.082
201 HG3 GLN 26 HG1 GLN 26 3.431 -3.853 8.268
202 HE21 GLN 26 HE21 GLN 26 4.599 -3.446 10.105
203 HE22 GLN 26 HE22 GLN 26 4.096 -2.328 11.321
204 H LEU 27 HN LEU 27 4.641 -1.604 7.181
205 HA LEU 27 HA LEU 27 5.226 -2.998 4.653
206 HB2 LEU 27 HB2 LEU 27 6.728 -0.941 6.252
207 HB3 LEU 27 HB1 LEU 27 7.543 -1.926 5.058
208 HG LEU 27 HG LEU 27 6.993 0.231 4.118
209 HD11 LEU 27 HD11 LEU 27 6.968 -1.583 2.567
210 HD12 LEU 27 HD12 LEU 27 5.644 -0.487 2.170
211 HD13 LEU 27 HD13 LEU 27 5.314 -1.999 3.010
212 HD21 LEU 27 HD21 LEU 27 4.121 -0.421 4.742
213 HD22 LEU 27 HD22 LEU 27 4.690 0.970 3.818
214 HD23 LEU 27 HD23 LEU 27 5.103 0.818 5.526
215 H SER 28 HN SER 28 6.478 -4.790 4.614
216 HA SER 28 HA SER 28 7.507 -5.747 7.205
217 HB2 SER 28 HB2 SER 28 5.420 -6.928 6.469
218 HB3 SER 28 HB1 SER 28 6.287 -7.469 5.035
219 HG SER 28 HG SER 28 7.232 -8.954 6.182
220 H GLY 29 HN GLY 29 9.613 -6.276 7.201
221 HA2 GLY 29 HA2 GLY 29 11.528 -7.344 6.298
222 HA3 GLY 29 HA1 GLY 29 10.852 -7.138 4.690
223 H ASN 30 HN ASN 30 10.261 -4.254 5.823
224 HA ASN 30 HA ASN 30 12.443 -2.995 4.537
225 HB2 ASN 30 HB2 ASN 30 11.435 -0.902 5.355
226 HB3 ASN 30 HB1 ASN 30 10.224 -1.965 4.647
227 HD21 ASN 30 HD21 ASN 30 11.260 -0.320 7.463
228 HD22 ASN 30 HD22 ASN 30 9.975 -0.837 8.506
229 H ARG 31 HN ARG 31 14.170 -1.880 5.355
230 HA ARG 31 HA ARG 31 14.642 -1.900 8.244
231 HB2 ARG 31 HB2 ARG 31 15.680 -3.960 7.411
232 HB3 ARG 31 HB1 ARG 31 16.563 -3.041 6.202
233 HG2 ARG 31 HG2 ARG 31 18.026 -3.603 8.022
234 HG3 ARG 31 HG1 ARG 31 17.751 -1.859 8.005
235 HD2 ARG 31 HD2 ARG 31 17.648 -2.711 10.275
236 HD3 ARG 31 HD1 ARG 31 16.069 -2.115 9.768
237 HE ARG 31 HE ARG 31 16.485 -4.948 9.374
238 HH11 ARG 31 HH11 ARG 31 15.335 -2.453 11.533
239 HH12 ARG 31 HH12 ARG 31 14.354 -3.538 12.467
240 HH21 ARG 31 HH21 ARG 31 15.192 -6.377 10.587
241 HH22 ARG 31 HH22 ARG 31 14.262 -5.767 11.921
242 H GLN 32 HN GLN 32 15.584 -0.878 5.021
243 HA GLN 32 HA GLN 32 17.388 1.165 5.821
244 HB2 GLN 32 HB2 GLN 32 15.832 0.744 3.268
245 HB3 GLN 32 HB1 GLN 32 17.061 1.980 3.467
246 HG2 GLN 32 HG2 GLN 32 17.460 -0.995 3.632
247 HG3 GLN 32 HG1 GLN 32 17.989 0.072 2.333
248 HE21 GLN 32 HE21 GLN 32 19.544 -1.708 4.044
249 HE22 GLN 32 HE22 GLN 32 20.727 -0.710 4.816
250 H PHE 33 HN PHE 33 13.974 1.156 4.917
251 HA PHE 33 HA PHE 33 13.694 3.731 6.308
252 HB2 PHE 33 HB2 PHE 33 12.138 2.810 3.875
253 HB3 PHE 33 HB1 PHE 33 11.864 4.302 4.766
254 HD1 PHE 33 HD2 PHE 33 13.666 6.044 4.811
255 HD2 PHE 33 HD1 PHE 33 13.781 2.688 2.199
256 HE1 PHE 33 HE2 PHE 33 15.314 7.202 3.402
257 HE2 PHE 33 HE1 PHE 33 15.433 3.839 0.787
258 HZ PHE 33 HZ PHE 33 16.202 6.099 1.389
259 H ASP 34 HN ASP 34 11.705 3.988 7.464
260 HA ASP 34 HA ASP 34 10.684 1.407 8.395
261 HB2 ASP 34 HB2 ASP 34 9.992 2.520 10.385
262 HB3 ASP 34 HB1 ASP 34 11.604 3.124 10.018
263 H ASP 35 HN ASP 35 8.279 1.552 9.142
264 HA ASP 35 HA ASP 35 6.661 1.635 6.912
265 HB2 ASP 35 HB2 ASP 35 5.807 2.106 9.771
266 HB3 ASP 35 HB1 ASP 35 4.723 1.727 8.446
267 H ARG 36 HN ARG 36 7.040 4.137 9.391
268 HA ARG 36 HA ARG 36 5.087 5.887 8.490
269 HB2 ARG 36 HB2 ARG 36 7.645 6.404 9.975
270 HB3 ARG 36 HB1 ARG 36 6.425 7.639 9.689
271 HG2 ARG 36 HG2 ARG 36 4.813 6.471 10.975
272 HG3 ARG 36 HG1 ARG 36 5.835 5.035 11.062
273 HD2 ARG 36 HD2 ARG 36 5.878 6.286 13.149
274 HD3 ARG 36 HD1 ARG 36 7.462 6.260 12.380
275 HE ARG 36 HE ARG 36 6.156 8.585 11.562
276 HH11 ARG 36 HH11 ARG 36 7.412 7.180 14.514
277 HH12 ARG 36 HH12 ARG 36 7.791 8.713 15.230
278 HH21 ARG 36 HH21 ARG 36 6.659 10.600 12.501
279 HH22 ARG 36 HH22 ARG 36 7.344 10.657 14.096
280 H ARG 37 HN ARG 37 8.390 5.465 7.376
281 HA ARG 37 HA ARG 37 8.392 7.880 5.828
282 HB2 ARG 37 HB2 ARG 37 10.486 6.899 6.706
283 HB3 ARG 37 HB1 ARG 37 10.255 5.504 5.660
284 HG2 ARG 37 HG2 ARG 37 11.870 7.067 4.718
285 HG3 ARG 37 HG1 ARG 37 10.440 6.930 3.693
286 HD2 ARG 37 HD2 ARG 37 9.546 8.990 4.740
287 HD3 ARG 37 HD1 ARG 37 11.046 9.145 5.646
288 HE ARG 37 HE ARG 37 12.187 9.577 3.589
289 HH11 ARG 37 HH11 ARG 37 8.698 9.491 3.335
290 HH12 ARG 37 HH12 ARG 37 8.653 10.436 1.882
291 HH21 ARG 37 HH21 ARG 37 12.117 10.848 1.668
292 HH22 ARG 37 HH22 ARG 37 10.581 11.194 0.937
293 H LEU 38 HN LEU 38 7.906 4.438 5.158
294 HA LEU 38 HA LEU 38 7.685 4.868 2.330
295 HB2 LEU 38 HB2 LEU 38 7.163 2.494 4.099
296 HB3 LEU 38 HB1 LEU 38 6.769 2.465 2.395
297 HG LEU 38 HG LEU 38 8.848 1.835 1.922
298 HD11 LEU 38 HD11 LEU 38 10.786 3.290 2.353
299 HD12 LEU 38 HD12 LEU 38 9.753 4.330 3.333
300 HD13 LEU 38 HD13 LEU 38 9.429 4.135 1.608
301 HD21 LEU 38 HD21 LEU 38 9.423 2.166 4.855
302 HD22 LEU 38 HD22 LEU 38 10.478 1.357 3.696
303 HD23 LEU 38 HD23 LEU 38 8.880 0.700 4.039
304 H LEU 39 HN LEU 39 5.510 4.796 5.019
305 HA LEU 39 HA LEU 39 3.038 4.537 3.725
306 HB2 LEU 39 HB2 LEU 39 4.019 5.609 6.288
307 HB3 LEU 39 HB1 LEU 39 2.484 6.257 5.754
308 HG LEU 39 HG LEU 39 1.431 4.142 5.860
309 HD11 LEU 39 HD11 LEU 39 3.187 2.801 4.815
310 HD12 LEU 39 HD12 LEU 39 2.610 2.061 6.308
311 HD13 LEU 39 HD13 LEU 39 4.150 2.918 6.287
312 HD21 LEU 39 HD21 LEU 39 3.338 4.350 8.180
313 HD22 LEU 39 HD22 LEU 39 1.802 3.482 8.169
314 HD23 LEU 39 HD23 LEU 39 1.825 5.238 8.007
315 H ALA 40 HN ALA 40 5.197 7.234 4.062
316 HA ALA 40 HA ALA 40 3.482 9.322 3.316
317 HB1 ALA 40 HB1 ALA 40 6.444 9.077 2.813
318 HB2 ALA 40 HB2 ALA 40 5.694 9.686 4.289
319 HB3 ALA 40 HB3 ALA 40 5.505 10.568 2.774
320 H LEU 41 HN LEU 41 4.957 6.832 1.415
321 HA LEU 41 HA LEU 41 4.607 8.131 -1.116
322 HB2 LEU 41 HB2 LEU 41 5.067 5.259 -0.325
323 HB3 LEU 41 HB1 LEU 41 4.890 5.767 -1.994
324 HG LEU 41 HG LEU 41 6.909 7.297 -0.521
325 HD11 LEU 41 HD11 LEU 41 7.437 4.393 -1.096
326 HD12 LEU 41 HD12 LEU 41 7.126 5.036 0.512
327 HD13 LEU 41 HD13 LEU 41 8.548 5.562 -0.388
328 HD21 LEU 41 HD21 LEU 41 8.152 6.954 -2.549
329 HD22 LEU 41 HD22 LEU 41 6.490 7.369 -2.970
330 HD23 LEU 41 HD23 LEU 41 7.034 5.693 -3.071
331 H LEU 42 HN LEU 42 2.645 6.285 1.031
332 HA LEU 42 HA LEU 42 0.537 6.035 -1.001
333 HB2 LEU 42 HB2 LEU 42 0.704 4.707 1.704
334 HB3 LEU 42 HB1 LEU 42 -0.523 4.423 0.491
335 HG LEU 42 HG LEU 42 0.718 2.609 0.041
336 HD11 LEU 42 HD11 LEU 42 2.425 4.667 -1.337
337 HD12 LEU 42 HD12 LEU 42 0.977 3.894 -1.985
338 HD13 LEU 42 HD13 LEU 42 2.427 2.938 -1.680
339 HD21 LEU 42 HD21 LEU 42 2.142 2.961 1.992
340 HD22 LEU 42 HD22 LEU 42 3.187 4.013 1.034
341 HD23 LEU 42 HD23 LEU 42 3.036 2.303 0.624
342 H HIS 43 HN HIS 43 1.427 8.362 0.753
343 HA HIS 43 HA HIS 43 -0.201 8.822 2.915
344 HB2 HIS 43 HB2 HIS 43 0.488 11.080 2.837
345 HB3 HIS 43 HB1 HIS 43 1.806 10.163 2.127
346 HD1 HIS 43 HD1 HIS 43 -0.526 12.907 1.434
347 HD2 HIS 43 HD2 HIS 43 1.955 10.396 -0.759
348 HE1 HIS 43 HE1 HIS 43 -0.296 13.984 -0.823
349 HE2 HIS 43 HE2 HIS 43 1.055 12.353 -2.187
350 H ASP 44 HN ASP 44 -1.180 8.938 -0.404
351 HA ASP 44 HA ASP 44 -3.550 10.532 0.305
352 HB2 ASP 44 HB2 ASP 44 -3.733 11.145 -1.994
353 HB3 ASP 44 HB1 ASP 44 -2.042 11.345 -1.546
354 H LEU 45 HN LEU 45 -2.732 7.388 0.097
355 HA LEU 45 HA LEU 45 -4.845 6.503 -1.666
356 HB2 LEU 45 HB2 LEU 45 -2.825 4.957 -0.062
357 HB3 LEU 45 HB1 LEU 45 -4.037 4.211 -1.084
358 HG LEU 45 HG LEU 45 -1.777 5.999 -1.982
359 HD11 LEU 45 HD11 LEU 45 -1.127 3.714 -1.402
360 HD12 LEU 45 HD12 LEU 45 -1.001 4.006 -3.138
361 HD13 LEU 45 HD13 LEU 45 -2.362 3.087 -2.495
362 HD21 LEU 45 HD21 LEU 45 -2.572 5.507 -4.265
363 HD22 LEU 45 HD22 LEU 45 -3.727 6.461 -3.337
364 HD23 LEU 45 HD23 LEU 45 -4.003 4.736 -3.578
365 HA PRO 46 HA PRO 46 -6.500 4.336 2.185
366 HB2 PRO 46 HB2 PRO 46 -5.719 4.961 4.666
367 HB3 PRO 46 HB1 PRO 46 -4.797 3.862 3.647
368 HG2 PRO 46 HG2 PRO 46 -4.284 6.737 4.251
369 HG3 PRO 46 HG1 PRO 46 -3.139 5.388 4.115
370 HD2 PRO 46 HD2 PRO 46 -3.629 7.220 2.114
371 HD3 PRO 46 HD1 PRO 46 -2.993 5.589 1.846
372 H GLY 47 HN GLY 47 -8.278 4.771 3.617
373 HA2 GLY 47 HA2 GLY 47 -9.970 6.248 4.396
374 HA3 GLY 47 HA1 GLY 47 -9.173 7.570 3.543
375 H GLN 48 HN GLN 48 -8.760 5.555 1.336
376 HA GLN 48 HA GLN 48 -11.435 5.673 0.123
377 HB2 GLN 48 HB2 GLN 48 -8.697 5.821 -1.148
378 HB3 GLN 48 HB1 GLN 48 -10.194 5.670 -2.054
379 HG2 GLN 48 HG2 GLN 48 -10.924 7.807 -1.406
380 HG3 GLN 48 HG1 GLN 48 -9.691 7.930 -0.154
381 HE21 GLN 48 HE21 GLN 48 -7.567 6.886 -1.807
382 HE22 GLN 48 HE22 GLN 48 -7.169 8.125 -2.946
383 H GLU 49 HN GLU 49 -11.569 3.963 -1.701
384 HA GLU 49 HA GLU 49 -10.533 1.444 -0.607
385 HB2 GLU 49 HB2 GLU 49 -12.968 1.943 -2.326
386 HB3 GLU 49 HB1 GLU 49 -12.417 0.358 -1.795
387 HG2 GLU 49 HG2 GLU 49 -12.677 1.086 0.538
388 HG3 GLU 49 HG1 GLU 49 -13.324 2.618 -0.035
389 H LEU 50 HN LEU 50 -8.818 0.810 -1.594
390 HA LEU 50 HA LEU 50 -8.268 1.649 -4.339
391 HB2 LEU 50 HB2 LEU 50 -6.552 0.403 -2.193
392 HB3 LEU 50 HB1 LEU 50 -5.970 0.809 -3.798
393 HG LEU 50 HG LEU 50 -5.218 2.572 -2.485
394 HD11 LEU 50 HD11 LEU 50 -6.501 4.543 -3.101
395 HD12 LEU 50 HD12 LEU 50 -7.870 3.521 -3.540
396 HD13 LEU 50 HD13 LEU 50 -6.363 3.416 -4.452
397 HD21 LEU 50 HD21 LEU 50 -6.590 3.745 -0.811
398 HD22 LEU 50 HD22 LEU 50 -6.360 2.039 -0.433
399 HD23 LEU 50 HD23 LEU 50 -7.893 2.594 -1.105
400 H ASN 51 HN ASN 51 -8.471 0.272 -6.005
401 HA ASN 51 HA ASN 51 -9.176 -2.476 -5.540
402 HB2 ASN 51 HB2 ASN 51 -9.649 -2.615 -7.824
403 HB3 ASN 51 HB1 ASN 51 -9.972 -0.924 -7.461
404 HD21 ASN 51 HD21 ASN 51 -8.436 0.658 -8.102
405 HD22 ASN 51 HD22 ASN 51 -7.343 0.331 -9.411
406 H LEU 52 HN LEU 52 -8.045 -4.230 -6.868
407 HA LEU 52 HA LEU 52 -5.620 -4.801 -5.755
408 HB2 LEU 52 HB2 LEU 52 -7.040 -5.779 -8.169
409 HB3 LEU 52 HB1 LEU 52 -5.348 -6.208 -8.020
410 HG LEU 52 HG LEU 52 -6.875 -7.960 -7.176
411 HD11 LEU 52 HD11 LEU 52 -5.143 -6.684 -5.068
412 HD12 LEU 52 HD12 LEU 52 -4.604 -7.801 -6.318
413 HD13 LEU 52 HD13 LEU 52 -5.715 -8.350 -5.065
414 HD21 LEU 52 HD21 LEU 52 -7.582 -5.932 -5.060
415 HD22 LEU 52 HD22 LEU 52 -8.069 -7.626 -5.077
416 HD23 LEU 52 HD23 LEU 52 -8.658 -6.526 -6.324
417 H SER 53 HN SER 53 -6.124 -3.252 -8.915
418 HA SER 53 HA SER 53 -3.486 -3.261 -9.794
419 HB2 SER 53 HB2 SER 53 -5.600 -1.158 -10.319
420 HB3 SER 53 HB1 SER 53 -4.156 -1.444 -11.292
421 HG SER 53 HG SER 53 -6.367 -2.487 -11.819
422 H GLN 54 HN GLN 54 -5.204 -0.835 -7.850
423 HA GLN 54 HA GLN 54 -2.888 0.852 -7.689
424 HB2 GLN 54 HB2 GLN 54 -5.678 0.967 -6.708
425 HB3 GLN 54 HB1 GLN 54 -4.489 1.882 -5.792
426 HG2 GLN 54 HG2 GLN 54 -3.786 2.961 -7.929
427 HG3 GLN 54 HG1 GLN 54 -5.130 2.144 -8.722
428 HE21 GLN 54 HE21 GLN 54 -6.878 2.419 -6.423
429 HE22 GLN 54 HE22 GLN 54 -7.363 4.074 -6.384
430 H LEU 55 HN LEU 55 -4.207 -1.749 -5.829
431 HA LEU 55 HA LEU 55 -2.911 -1.282 -3.387
432 HB2 LEU 55 HB2 LEU 55 -3.556 -3.917 -4.709
433 HB3 LEU 55 HB1 LEU 55 -3.083 -3.733 -3.041
434 HG LEU 55 HG LEU 55 -5.621 -2.701 -4.302
435 HD11 LEU 55 HD11 LEU 55 -5.161 -4.795 -2.184
436 HD12 LEU 55 HD12 LEU 55 -5.559 -5.118 -3.868
437 HD13 LEU 55 HD13 LEU 55 -6.718 -4.284 -2.835
438 HD21 LEU 55 HD21 LEU 55 -4.817 -1.123 -2.629
439 HD22 LEU 55 HD22 LEU 55 -4.642 -2.433 -1.461
440 HD23 LEU 55 HD23 LEU 55 -6.244 -1.984 -2.050
441 H HIS 56 HN HIS 56 -1.823 -3.246 -6.181
442 HA HIS 56 HA HIS 56 0.764 -3.586 -4.973
443 HB2 HIS 56 HB2 HIS 56 1.413 -4.756 -7.005
444 HB3 HIS 56 HB1 HIS 56 -0.118 -5.355 -6.394
445 HD1 HIS 56 HD1 HIS 56 1.261 -3.167 -9.165
446 HD2 HIS 56 HD2 HIS 56 -2.150 -5.350 -8.208
447 HE1 HIS 56 HE1 HIS 56 -0.134 -3.192 -11.254
448 HE2 HIS 56 HE2 HIS 56 -2.080 -4.697 -10.711
449 H ALA 57 HN ALA 57 -0.665 -1.310 -7.143
450 HA ALA 57 HA ALA 57 1.692 -0.175 -8.201
451 HB1 ALA 57 HB1 ALA 57 -0.900 1.233 -7.572
452 HB2 ALA 57 HB2 ALA 57 -0.571 0.330 -9.051
453 HB3 ALA 57 HB3 ALA 57 0.354 1.785 -8.680
454 H ALA 58 HN ALA 58 -0.001 0.209 -5.164
455 HA ALA 58 HA ALA 58 1.388 2.388 -4.095
456 HB1 ALA 58 HB1 ALA 58 0.294 -0.035 -2.664
457 HB2 ALA 58 HB2 ALA 58 -0.611 1.424 -3.063
458 HB3 ALA 58 HB3 ALA 58 0.723 1.502 -1.912
459 H ALA 59 HN ALA 59 2.125 -1.055 -4.137
460 HA ALA 59 HA ALA 59 4.497 -0.920 -2.599
461 HB1 ALA 59 HB1 ALA 59 3.669 -2.956 -4.666
462 HB2 ALA 59 HB2 ALA 59 3.266 -3.004 -2.950
463 HB3 ALA 59 HB3 ALA 59 4.946 -3.159 -3.467
464 H ALA 60 HN ALA 60 3.806 -0.630 -6.033
465 HA ALA 60 HA ALA 60 6.465 -0.676 -6.958
466 HB1 ALA 60 HB1 ALA 60 4.079 0.691 -8.195
467 HB2 ALA 60 HB2 ALA 60 4.528 -1.000 -8.420
468 HB3 ALA 60 HB3 ALA 60 5.586 0.280 -9.012
469 H ARG 61 HN ARG 61 4.415 1.932 -5.761
470 HA ARG 61 HA ARG 61 6.038 4.128 -6.348
471 HB2 ARG 61 HB2 ARG 61 4.326 3.632 -3.900
472 HB3 ARG 61 HB1 ARG 61 5.031 5.185 -4.319
473 HG2 ARG 61 HG2 ARG 61 3.715 5.245 -6.365
474 HG3 ARG 61 HG1 ARG 61 3.025 3.669 -5.969
475 HD2 ARG 61 HD2 ARG 61 2.040 4.596 -3.938
476 HD3 ARG 61 HD1 ARG 61 2.757 6.164 -4.292
477 HE ARG 61 HE ARG 61 1.062 5.161 -6.388
478 HH11 ARG 61 HH11 ARG 61 1.156 7.001 -3.402
479 HH12 ARG 61 HH12 ARG 61 -0.340 7.838 -3.717
480 HH21 ARG 61 HH21 ARG 61 -0.891 6.265 -6.816
481 HH22 ARG 61 HH22 ARG 61 -1.495 7.420 -5.672
482 H ILE 62 HN ILE 62 6.154 1.809 -3.728
483 HA ILE 62 HA ILE 62 8.232 3.147 -2.281
484 HB ILE 62 HB ILE 62 7.136 0.346 -2.019
485 HG12 ILE 62 HG12 ILE 62 6.536 2.845 -0.431
486 HG13 ILE 62 HG11 ILE 62 5.490 2.164 -1.671
487 HG21 ILE 62 HG21 ILE 62 9.338 0.457 -1.036
488 HG22 ILE 62 HG22 ILE 62 8.123 0.393 0.245
489 HG23 ILE 62 HG23 ILE 62 8.906 1.926 -0.158
490 HD11 ILE 62 HD11 ILE 62 6.306 0.772 0.854
491 HD12 ILE 62 HD12 ILE 62 5.157 0.188 -0.350
492 HD13 ILE 62 HD13 ILE 62 4.785 1.622 0.607
493 H GLY 63 HN GLY 63 8.031 0.452 -4.539
494 HA2 GLY 63 HA2 GLY 63 10.664 -0.473 -4.353
495 HA3 GLY 63 HA1 GLY 63 9.657 -0.582 -5.788
496 H ASP 64 HN ASP 64 9.297 2.017 -6.498
497 HA ASP 64 HA ASP 64 11.788 2.688 -7.687
498 HB2 ASP 64 HB2 ASP 64 9.664 3.226 -8.780
499 HB3 ASP 64 HB1 ASP 64 9.247 4.321 -7.469
500 H PHE 65 HN PHE 65 10.107 3.744 -4.821
501 HA PHE 65 HA PHE 65 11.510 6.077 -4.217
502 HB2 PHE 65 HB2 PHE 65 9.513 5.348 -2.973
503 HB3 PHE 65 HB1 PHE 65 10.416 3.991 -2.304
504 HD1 PHE 65 HD1 PHE 65 10.188 7.679 -2.362
505 HD2 PHE 65 HD2 PHE 65 11.756 4.250 -0.391
506 HE1 PHE 65 HE1 PHE 65 10.894 9.090 -0.479
507 HE2 PHE 65 HE2 PHE 65 12.468 5.658 1.496
508 HZ PHE 65 HZ PHE 65 12.039 8.082 1.452
509 H TYR 66 HN TYR 66 12.184 2.724 -3.282
510 HA TYR 66 HA TYR 66 14.573 3.223 -1.902
511 HB2 TYR 66 HB2 TYR 66 13.264 0.849 -3.108
512 HB3 TYR 66 HB1 TYR 66 14.981 0.719 -2.755
513 HD1 TYR 66 HD2 TYR 66 11.771 1.747 -1.124
514 HD2 TYR 66 HD1 TYR 66 15.649 0.064 -0.660
515 HE1 TYR 66 HE2 TYR 66 11.266 1.247 1.225
516 HE2 TYR 66 HE1 TYR 66 15.162 -0.437 1.688
517 HH TYR 66 HH TYR 66 13.654 -0.392 3.305
518 H GLN 67 HN GLN 67 14.016 2.318 -5.293
519 HA GLN 67 HA GLN 67 16.665 2.137 -6.134
520 HB2 GLN 67 HB2 GLN 67 14.363 3.230 -7.754
521 HB3 GLN 67 HB1 GLN 67 15.833 2.503 -8.381
522 HG2 GLN 67 HG2 GLN 67 15.192 0.354 -7.487
523 HG3 GLN 67 HG1 GLN 67 13.769 1.065 -6.733
524 HE21 GLN 67 HE21 GLN 67 13.291 2.810 -9.055
525 HE22 GLN 67 HE22 GLN 67 12.604 1.785 -10.265
526 H GLU 68 HN GLU 68 14.534 4.913 -5.855
527 HA GLU 68 HA GLU 68 16.186 6.843 -7.067
528 HB2 GLU 68 HB2 GLU 68 13.768 7.110 -6.613
529 HB3 GLU 68 HB1 GLU 68 14.113 7.197 -4.894
530 HG2 GLU 68 HG2 GLU 68 15.445 9.229 -5.297
531 HG3 GLU 68 HG1 GLU 68 14.995 9.153 -7.001
532 H LYS 69 HN LYS 69 16.121 5.457 -3.877
533 HA LYS 69 HA LYS 69 17.924 7.466 -2.786
534 HB2 LYS 69 HB2 LYS 69 16.771 4.977 -1.511
535 HB3 LYS 69 HB1 LYS 69 17.651 6.247 -0.675
536 HG2 LYS 69 HG2 LYS 69 15.028 6.627 -2.104
537 HG3 LYS 69 HG1 LYS 69 15.211 6.388 -0.365
538 HD2 LYS 69 HD2 LYS 69 16.534 8.434 -0.216
539 HD3 LYS 69 HD1 LYS 69 16.389 8.664 -1.960
540 HE2 LYS 69 HE2 LYS 69 13.968 8.863 -1.743
541 HE3 LYS 69 HE1 LYS 69 14.091 8.594 -0.008
542 HZ1 LYS 69 HZ1 LYS 69 15.368 10.860 -1.429
543 HZ2 LYS 69 HZ2 LYS 69 15.277 10.635 0.243
544 HZ3 LYS 69 HZ3 LYS 69 13.873 10.955 -0.648
545 H GLY 70 HN GLY 70 18.393 5.014 -4.796
546 HA2 GLY 70 HA2 GLY 70 20.644 4.470 -5.428
547 HA3 GLY 70 HA1 GLY 70 21.098 4.540 -3.736
548 H TYR 71 HN TYR 71 18.365 2.982 -3.442
549 HA TYR 71 HA TYR 71 19.684 0.388 -3.450
550 HB2 TYR 71 HB2 TYR 71 16.900 1.073 -2.488
551 HB3 TYR 71 HB1 TYR 71 17.826 -0.375 -2.110
552 HD1 TYR 71 HD1 TYR 71 20.053 0.000 -0.819
553 HD2 TYR 71 HD2 TYR 71 16.934 2.877 -1.069
554 HE1 TYR 71 HE1 TYR 71 20.937 1.126 1.176
555 HE2 TYR 71 HE2 TYR 71 17.806 4.010 0.922
556 HH TYR 71 HH TYR 71 19.194 3.464 2.900
557 H VAL 72 HN VAL 72 19.712 0.496 -5.844
558 HA VAL 72 HA VAL 72 17.283 0.416 -7.337
559 HB VAL 72 HB VAL 72 20.029 -0.488 -8.224
560 HG11 VAL 72 HG11 VAL 72 17.637 0.468 -9.792
561 HG12 VAL 72 HG12 VAL 72 18.262 -1.180 -9.736
562 HG13 VAL 72 HG13 VAL 72 19.223 0.102 -10.470
563 HG21 VAL 72 HG21 VAL 72 20.353 1.782 -9.059
564 HG22 VAL 72 HG22 VAL 72 20.122 1.779 -7.310
565 HG23 VAL 72 HG23 VAL 72 18.801 2.263 -8.374
566 H LEU 73 HN LEU 73 19.225 -1.915 -5.718
567 HA LEU 73 HA LEU 73 18.141 -4.215 -7.078
568 HB2 LEU 73 HB2 LEU 73 20.412 -4.201 -6.119
569 HB3 LEU 73 HB1 LEU 73 19.730 -4.000 -4.520
570 HG LEU 73 HG LEU 73 18.612 -6.219 -4.777
571 HD11 LEU 73 HD11 LEU 73 18.566 -6.320 -7.210
572 HD12 LEU 73 HD12 LEU 73 19.399 -7.720 -6.532
573 HD13 LEU 73 HD13 LEU 73 20.327 -6.402 -7.247
574 HD21 LEU 73 HD21 LEU 73 20.638 -7.520 -4.402
575 HD22 LEU 73 HD22 LEU 73 20.713 -5.972 -3.560
576 HD23 LEU 73 HD23 LEU 73 21.610 -6.206 -5.058
577 H ALA 74 HN ALA 74 16.924 -2.079 -4.866
578 HA ALA 74 HA ALA 74 15.429 -4.081 -3.344
579 HB1 ALA 74 HB1 ALA 74 15.768 -1.124 -2.896
580 HB2 ALA 74 HB2 ALA 74 16.592 -2.418 -2.026
581 HB3 ALA 74 HB3 ALA 74 14.848 -2.212 -1.858
582 H ARG 75 HN ARG 75 13.319 -4.354 -3.541
583 HA ARG 75 HA ARG 75 11.676 -2.321 -4.839
584 HB2 ARG 75 HB2 ARG 75 11.832 -5.212 -5.709
585 HB3 ARG 75 HB1 ARG 75 10.480 -4.164 -6.110
586 HG2 ARG 75 HG2 ARG 75 13.340 -3.647 -6.879
587 HG3 ARG 75 HG1 ARG 75 12.126 -4.379 -7.926
588 HD2 ARG 75 HD2 ARG 75 11.996 -1.614 -6.725
589 HD3 ARG 75 HD1 ARG 75 12.414 -1.994 -8.394
590 HE ARG 75 HE ARG 75 9.850 -3.022 -7.593
591 HH11 ARG 75 HH11 ARG 75 11.558 -0.258 -8.897
592 HH12 ARG 75 HH12 ARG 75 10.140 0.438 -9.622
593 HH21 ARG 75 HH21 ARG 75 7.987 -2.107 -8.538
594 HH22 ARG 75 HH22 ARG 75 8.113 -0.611 -9.418
595 H ALA 76 HN ALA 76 9.335 -2.817 -4.515
596 HA ALA 76 HA ALA 76 8.893 -4.388 -2.068
597 HB1 ALA 76 HB1 ALA 76 8.934 -2.005 -1.501
598 HB2 ALA 76 HB2 ALA 76 7.327 -2.694 -1.275
599 HB3 ALA 76 HB3 ALA 76 7.669 -1.701 -2.692
600 H PHE 77 HN PHE 77 7.089 -5.647 -2.062
601 HA PHE 77 HA PHE 77 5.228 -5.337 -4.311
602 HB2 PHE 77 HB2 PHE 77 5.188 -7.733 -4.704
603 HB3 PHE 77 HB1 PHE 77 6.835 -7.141 -4.863
604 HD1 PHE 77 HD1 PHE 77 8.503 -7.647 -3.111
605 HD2 PHE 77 HD2 PHE 77 4.581 -9.302 -3.030
606 HE1 PHE 77 HE1 PHE 77 9.259 -9.351 -1.506
607 HE2 PHE 77 HE2 PHE 77 5.326 -11.006 -1.422
608 HZ PHE 77 HZ PHE 77 7.670 -11.033 -0.658
609 H LEU 78 HN LEU 78 3.110 -5.828 -3.877
610 HA LEU 78 HA LEU 78 2.485 -6.180 -1.046
611 HB2 LEU 78 HB2 LEU 78 1.482 -4.281 -2.361
612 HB3 LEU 78 HB1 LEU 78 0.604 -5.472 -3.299
613 HG LEU 78 HG LEU 78 0.299 -5.354 -0.309
614 HD11 LEU 78 HD11 LEU 78 -1.644 -3.907 -0.625
615 HD12 LEU 78 HD12 LEU 78 -1.250 -3.752 -2.339
616 HD13 LEU 78 HD13 LEU 78 -0.152 -3.105 -1.116
617 HD21 LEU 78 HD21 LEU 78 -1.878 -6.328 -0.804
618 HD22 LEU 78 HD22 LEU 78 -0.575 -7.307 -1.481
619 HD23 LEU 78 HD23 LEU 78 -1.525 -6.257 -2.531
620 HA PRO 79 HA PRO 79 1.829 -10.524 -2.051
621 HB2 PRO 79 HB2 PRO 79 0.880 -11.071 0.502
622 HB3 PRO 79 HB1 PRO 79 2.563 -11.177 -0.005
623 HG2 PRO 79 HG2 PRO 79 1.165 -8.996 1.468
624 HG3 PRO 79 HG1 PRO 79 2.822 -9.596 1.649
625 HD2 PRO 79 HD2 PRO 79 2.256 -7.299 0.388
626 HD3 PRO 79 HD1 PRO 79 3.598 -8.343 -0.120
627 H ALA 80 HN ALA 80 0.098 -10.837 -3.291
628 HA ALA 80 HA ALA 80 -2.469 -9.695 -2.573
629 HB1 ALA 80 HB1 ALA 80 -1.652 -9.473 -4.865
630 HB2 ALA 80 HB2 ALA 80 -3.170 -10.370 -4.807
631 HB3 ALA 80 HB3 ALA 80 -1.648 -11.228 -5.036
632 H GLN 81 HN GLN 81 -0.931 -12.489 -1.806
633 HA GLN 81 HA GLN 81 -3.178 -14.279 -2.077
634 HB2 GLN 81 HB2 GLN 81 -0.833 -15.097 -2.207
635 HB3 GLN 81 HB1 GLN 81 -0.611 -14.653 -0.520
636 HG2 GLN 81 HG2 GLN 81 -2.308 -16.247 0.151
637 HG3 GLN 81 HG1 GLN 81 -2.605 -16.667 -1.535
638 HE21 GLN 81 HE21 GLN 81 -2.088 -18.817 -1.205
639 HE22 GLN 81 HE22 GLN 81 -0.463 -19.347 -0.947
640 H GLU 82 HN GLU 82 -4.873 -13.682 -0.912
641 HA GLU 82 HA GLU 82 -6.238 -13.213 0.817
642 HB2 GLU 82 HB2 GLU 82 -5.151 -15.287 1.747
643 HB3 GLU 82 HB1 GLU 82 -4.045 -14.240 2.625
644 HG2 GLU 82 HG2 GLU 82 -5.960 -13.220 3.777
645 HG3 GLU 82 HG1 GLU 82 -7.039 -14.325 2.928
646 H ILE 83 HN ILE 83 -5.690 -11.011 0.081
647 HA ILE 83 HA ILE 83 -3.989 -9.348 1.639
648 HB ILE 83 HB ILE 83 -6.298 -8.583 -0.126
649 HG12 ILE 83 HG12 ILE 83 -3.346 -8.925 -0.651
650 HG13 ILE 83 HG11 ILE 83 -4.676 -9.801 -1.404
651 HG21 ILE 83 HG21 ILE 83 -5.220 -6.379 -0.222
652 HG22 ILE 83 HG22 ILE 83 -4.008 -6.928 0.936
653 HG23 ILE 83 HG23 ILE 83 -5.698 -6.796 1.425
654 HD11 ILE 83 HD11 ILE 83 -3.746 -8.151 -2.909
655 HD12 ILE 83 HD12 ILE 83 -4.071 -6.884 -1.727
656 HD13 ILE 83 HD13 ILE 83 -5.409 -7.747 -2.484
657 H GLN 84 HN GLN 84 -4.473 -8.040 3.363
658 HA GLN 84 HA GLN 84 -6.942 -8.603 4.795
659 HB2 GLN 84 HB2 GLN 84 -4.562 -6.904 5.562
660 HB3 GLN 84 HB1 GLN 84 -5.895 -7.335 6.624
661 HG2 GLN 84 HG2 GLN 84 -5.284 -9.661 6.522
662 HG3 GLN 84 HG1 GLN 84 -4.023 -9.309 5.343
663 HE21 GLN 84 HE21 GLN 84 -3.263 -6.831 6.725
664 HE22 GLN 84 HE22 GLN 84 -2.364 -7.333 8.115
665 H ASP 85 HN ASP 85 -8.221 -6.813 5.687
666 HA ASP 85 HA ASP 85 -8.333 -4.571 3.786
667 HB2 ASP 85 HB2 ASP 85 -10.659 -4.393 4.190
668 HB3 ASP 85 HB1 ASP 85 -10.350 -6.116 4.022
669 H GLY 86 HN GLY 86 -8.693 -2.454 4.600
670 HA2 GLY 86 HA2 GLY 86 -8.463 -0.746 6.130
671 HA3 GLY 86 HA1 GLY 86 -8.486 -1.940 7.425
672 H THR 87 HN THR 87 -6.456 -3.372 7.460
673 HA THR 87 HA THR 87 -4.085 -1.681 7.085
674 HB THR 87 HB THR 87 -4.296 -4.320 8.523
675 HG1 THR 87 HG1 THR 87 -5.567 -2.483 9.426
676 HG21 THR 87 HG21 THR 87 -2.191 -2.158 8.620
677 HG22 THR 87 HG22 THR 87 -2.029 -3.723 7.823
678 HG23 THR 87 HG23 THR 87 -2.186 -3.638 9.578
679 H VAL 88 HN VAL 88 -2.903 -2.048 5.313
680 HA VAL 88 HA VAL 88 -3.015 -4.740 4.125
681 HB VAL 88 HB VAL 88 -2.597 -3.729 1.946
682 HG11 VAL 88 HG11 VAL 88 -4.767 -2.501 1.733
683 HG12 VAL 88 HG12 VAL 88 -4.908 -2.572 3.494
684 HG13 VAL 88 HG13 VAL 88 -4.884 -4.060 2.550
685 HG21 VAL 88 HG21 VAL 88 -1.311 -1.776 2.735
686 HG22 VAL 88 HG22 VAL 88 -2.804 -1.064 3.354
687 HG23 VAL 88 HG23 VAL 88 -2.602 -1.323 1.619
688 H ARG 89 HN ARG 89 -1.124 -5.798 3.819
689 HA ARG 89 HA ARG 89 1.230 -4.348 4.788
690 HB2 ARG 89 HB2 ARG 89 0.364 -6.405 6.046
691 HB3 ARG 89 HB1 ARG 89 0.975 -7.346 4.690
692 HG2 ARG 89 HG2 ARG 89 3.216 -6.508 5.082
693 HG3 ARG 89 HG1 ARG 89 2.624 -5.498 6.398
694 HD2 ARG 89 HD2 ARG 89 3.609 -7.429 7.360
695 HD3 ARG 89 HD1 ARG 89 1.865 -7.570 7.550
696 HE ARG 89 HE ARG 89 2.241 -8.962 5.311
697 HH11 ARG 89 HH11 ARG 89 3.944 -9.020 8.366
698 HH12 ARG 89 HH12 ARG 89 4.440 -10.675 8.209
699 HH21 ARG 89 HH21 ARG 89 2.880 -11.157 5.105
700 HH22 ARG 89 HH22 ARG 89 3.821 -11.896 6.361
701 H ILE 90 HN ILE 90 2.874 -4.009 3.551
702 HA ILE 90 HA ILE 90 3.074 -5.434 0.977
703 HB ILE 90 HB ILE 90 4.070 -2.673 1.724
704 HG12 ILE 90 HG12 ILE 90 1.829 -3.527 -0.120
705 HG13 ILE 90 HG11 ILE 90 1.637 -2.758 1.452
706 HG21 ILE 90 HG21 ILE 90 4.196 -4.112 -0.920
707 HG22 ILE 90 HG22 ILE 90 5.561 -3.760 0.139
708 HG23 ILE 90 HG23 ILE 90 4.681 -2.440 -0.633
709 HD11 ILE 90 HD11 ILE 90 1.311 -1.178 -0.362
710 HD12 ILE 90 HD12 ILE 90 2.934 -1.520 -0.963
711 HD13 ILE 90 HD13 ILE 90 2.719 -0.749 0.609
712 H GLU 91 HN GLU 91 4.989 -6.487 0.546
713 HA GLU 91 HA GLU 91 6.922 -6.521 2.740
714 HB2 GLU 91 HB2 GLU 91 6.474 -8.426 0.444
715 HB3 GLU 91 HB1 GLU 91 7.812 -8.565 1.578
716 HG2 GLU 91 HG2 GLU 91 6.140 -8.703 3.420
717 HG3 GLU 91 HG1 GLU 91 4.876 -8.762 2.194
718 H VAL 92 HN VAL 92 8.858 -5.691 2.586
719 HA VAL 92 HA VAL 92 9.655 -4.499 0.022
720 HB VAL 92 HB VAL 92 10.695 -3.892 2.799
721 HG11 VAL 92 HG11 VAL 92 12.324 -3.390 1.075
722 HG12 VAL 92 HG12 VAL 92 11.663 -1.895 1.739
723 HG13 VAL 92 HG13 VAL 92 11.114 -2.479 0.167
724 HG21 VAL 92 HG21 VAL 92 8.692 -2.393 1.113
725 HG22 VAL 92 HG22 VAL 92 9.399 -1.804 2.617
726 HG23 VAL 92 HG23 VAL 92 8.368 -3.237 2.629
727 H LEU 93 HN LEU 93 11.269 -5.395 -1.071
728 HA LEU 93 HA LEU 93 13.115 -7.180 0.364
729 HB2 LEU 93 HB2 LEU 93 11.863 -8.261 -1.442
730 HB3 LEU 93 HB1 LEU 93 12.430 -7.051 -2.575
731 HG LEU 93 HG LEU 93 14.734 -7.852 -2.292
732 HD11 LEU 93 HD11 LEU 93 14.632 -8.654 -0.019
733 HD12 LEU 93 HD12 LEU 93 15.129 -9.965 -1.088
734 HD13 LEU 93 HD13 LEU 93 13.479 -9.905 -0.481
735 HD21 LEU 93 HD21 LEU 93 14.461 -10.000 -3.426
736 HD22 LEU 93 HD22 LEU 93 13.356 -8.785 -4.065
737 HD23 LEU 93 HD23 LEU 93 12.758 -10.026 -2.965
738 H GLU 94 HN GLU 94 14.743 -5.920 1.019
739 HA GLU 94 HA GLU 94 15.679 -3.721 -0.628
740 HB2 GLU 94 HB2 GLU 94 16.630 -4.644 2.081
741 HB3 GLU 94 HB1 GLU 94 17.013 -3.113 1.307
742 HG2 GLU 94 HG2 GLU 94 14.650 -2.486 1.401
743 HG3 GLU 94 HG1 GLU 94 14.286 -4.016 2.200
744 H GLY 95 HN GLY 95 16.129 -6.404 -1.608
745 HA2 GLY 95 HA2 GLY 95 17.877 -7.238 -2.915
746 HA3 GLY 95 HA1 GLY 95 18.994 -6.194 -2.046
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 -29.539 13.407 -10.076
2 H2 MET 1 HT2 MET 1 -29.148 14.173 -8.622
3 H3 MET 1 HT3 MET 1 -30.288 12.927 -8.639
4 HA MET 1 HA MET 1 -28.590 11.356 -9.322
5 HB2 MET 1 HB2 MET 1 -26.846 13.802 -9.064
6 HB3 MET 1 HB1 MET 1 -26.194 12.172 -9.009
7 HG2 MET 1 HG2 MET 1 -27.754 13.332 -11.305
8 HG3 MET 1 HG1 MET 1 -25.997 13.232 -11.220
9 HE1 MET 1 HE1 MET 1 -24.650 10.960 -11.149
10 HE2 MET 1 HE2 MET 1 -25.393 9.365 -11.245
11 HE3 MET 1 HE3 MET 1 -25.610 10.352 -9.801
12 H ALA 2 HN ALA 2 -28.543 10.056 -7.632
13 HA ALA 2 HA ALA 2 -28.588 11.103 -4.947
14 HB1 ALA 2 HB1 ALA 2 -28.831 8.777 -4.260
15 HB2 ALA 2 HB2 ALA 2 -28.492 8.244 -5.906
16 HB3 ALA 2 HB3 ALA 2 -29.957 9.164 -5.561
17 H HIS 3 HN HIS 3 -26.716 11.911 -4.256
18 HA HIS 3 HA HIS 3 -24.244 10.411 -4.774
19 HB2 HIS 3 HB2 HIS 3 -23.092 12.559 -4.137
20 HB3 HIS 3 HB1 HIS 3 -24.075 12.655 -5.591
21 HD1 HIS 3 HD1 HIS 3 -25.896 14.384 -5.638
22 HD2 HIS 3 HD2 HIS 3 -24.250 13.892 -1.854
23 HE1 HIS 3 HE1 HIS 3 -26.862 16.234 -4.233
24 HE2 HIS 3 HE2 HIS 3 -25.724 16.007 -1.994
25 H HIS 4 HN HIS 4 -25.914 9.395 -2.822
26 HA HIS 4 HA HIS 4 -25.330 10.314 -0.215
27 HB2 HIS 4 HB2 HIS 4 -27.256 8.841 -0.750
28 HB3 HIS 4 HB1 HIS 4 -26.134 7.528 -1.090
29 HD1 HIS 4 HD1 HIS 4 -25.786 5.984 0.812
30 HD2 HIS 4 HD2 HIS 4 -26.894 9.781 2.088
31 HE1 HIS 4 HE1 HIS 4 -25.963 5.830 3.309
32 HE2 HIS 4 HE2 HIS 4 -26.822 8.081 4.037
33 H HIS 5 HN HIS 5 -23.546 10.147 0.935
34 HA HIS 5 HA HIS 5 -21.169 9.051 -0.037
35 HB2 HIS 5 HB2 HIS 5 -21.201 10.828 1.647
36 HB3 HIS 5 HB1 HIS 5 -21.926 9.732 2.816
37 HD1 HIS 5 HD1 HIS 5 -18.673 10.370 1.014
38 HD2 HIS 5 HD2 HIS 5 -20.153 8.121 4.181
39 HE1 HIS 5 HE1 HIS 5 -16.654 9.393 2.151
40 HE2 HIS 5 HE2 HIS 5 -17.583 7.933 3.984
41 H HIS 6 HN HIS 6 -20.375 7.091 -0.059
42 HA HIS 6 HA HIS 6 -21.784 4.942 1.342
43 HB2 HIS 6 HB2 HIS 6 -19.588 4.742 -0.737
44 HB3 HIS 6 HB1 HIS 6 -20.603 3.431 -0.153
45 HD1 HIS 6 HD1 HIS 6 -20.353 5.912 -2.783
46 HD2 HIS 6 HD2 HIS 6 -23.402 3.738 -0.988
47 HE1 HIS 6 HE1 HIS 6 -22.301 6.053 -4.365
48 HE2 HIS 6 HE2 HIS 6 -24.079 4.601 -3.331
49 H HIS 7 HN HIS 7 -20.632 3.453 2.671
50 HA HIS 7 HA HIS 7 -18.450 4.508 4.152
51 HB2 HIS 7 HB2 HIS 7 -20.024 2.861 5.117
52 HB3 HIS 7 HB1 HIS 7 -19.427 1.641 4.000
53 HD1 HIS 7 HD1 HIS 7 -18.013 0.052 5.262
54 HD2 HIS 7 HD2 HIS 7 -17.454 3.967 6.545
55 HE1 HIS 7 HE1 HIS 7 -16.221 -0.061 7.020
56 HE2 HIS 7 HE2 HIS 7 -16.014 2.292 7.891
57 H HIS 8 HN HIS 8 -18.754 2.513 1.341
58 HA HIS 8 HA HIS 8 -15.912 2.010 1.133
59 HB2 HIS 8 HB2 HIS 8 -18.122 1.687 -0.922
60 HB3 HIS 8 HB1 HIS 8 -16.468 1.121 -1.105
61 HD1 HIS 8 HD1 HIS 8 -19.149 -0.643 -1.091
62 HD2 HIS 8 HD2 HIS 8 -16.376 -0.268 1.983
63 HE1 HIS 8 HE1 HIS 8 -19.380 -2.730 0.290
64 HE2 HIS 8 HE2 HIS 8 -17.610 -2.537 2.065
65 H VAL 9 HN VAL 9 -15.048 4.112 1.242
66 HA VAL 9 HA VAL 9 -16.038 6.271 -0.305
67 HB VAL 9 HB VAL 9 -13.306 6.001 0.943
68 HG11 VAL 9 HG11 VAL 9 -13.269 8.435 0.907
69 HG12 VAL 9 HG12 VAL 9 -14.854 8.457 0.131
70 HG13 VAL 9 HG13 VAL 9 -13.464 7.792 -0.726
71 HG21 VAL 9 HG21 VAL 9 -15.017 5.674 2.615
72 HG22 VAL 9 HG22 VAL 9 -15.864 7.122 2.067
73 HG23 VAL 9 HG23 VAL 9 -14.276 7.263 2.823
74 H ASP 10 HN ASP 10 -15.955 6.408 -2.401
75 HA ASP 10 HA ASP 10 -15.335 6.257 -4.569
76 HB2 ASP 10 HB2 ASP 10 -13.579 7.830 -3.677
77 HB3 ASP 10 HB1 ASP 10 -12.499 6.446 -3.544
78 H ASP 11 HN ASP 11 -16.121 4.016 -4.347
79 HA ASP 11 HA ASP 11 -14.020 1.983 -4.394
80 HB2 ASP 11 HB2 ASP 11 -15.758 0.370 -4.011
81 HB3 ASP 11 HB1 ASP 11 -16.012 1.709 -2.898
82 H ASP 12 HN ASP 12 -13.891 0.448 -6.032
83 HA ASP 12 HA ASP 12 -15.192 1.185 -8.566
84 HB2 ASP 12 HB2 ASP 12 -12.501 -0.101 -8.061
85 HB3 ASP 12 HB1 ASP 12 -13.267 -0.076 -9.645
86 H ASP 13 HN ASP 13 -15.854 -0.595 -9.933
87 HA ASP 13 HA ASP 13 -17.328 -2.518 -8.568
88 HB2 ASP 13 HB2 ASP 13 -16.411 -2.453 -11.445
89 HB3 ASP 13 HB1 ASP 13 -17.521 -3.663 -10.818
90 H LYS 14 HN LYS 14 -14.681 -3.366 -10.778
91 HA LYS 14 HA LYS 14 -13.246 -4.861 -8.834
92 HB2 LYS 14 HB2 LYS 14 -15.263 -6.343 -9.371
93 HB3 LYS 14 HB1 LYS 14 -14.577 -6.525 -10.976
94 HG2 LYS 14 HG2 LYS 14 -12.812 -7.129 -8.674
95 HG3 LYS 14 HG1 LYS 14 -14.124 -8.257 -9.005
96 HD2 LYS 14 HD2 LYS 14 -12.097 -7.358 -11.051
97 HD3 LYS 14 HD1 LYS 14 -11.961 -8.842 -10.103
98 HE2 LYS 14 HE2 LYS 14 -14.100 -9.615 -11.041
99 HE3 LYS 14 HE1 LYS 14 -14.199 -8.144 -12.005
100 HZ1 LYS 14 HZ1 LYS 14 -12.068 -10.201 -12.215
101 HZ2 LYS 14 HZ2 LYS 14 -12.178 -8.797 -13.148
102 HZ3 LYS 14 HZ3 LYS 14 -13.356 -10.001 -13.293
103 H MET 15 HN MET 15 -11.883 -3.203 -9.853
104 HA MET 15 HA MET 15 -10.937 -3.896 -12.533
105 HB2 MET 15 HB2 MET 15 -11.538 -1.549 -12.126
106 HB3 MET 15 HB1 MET 15 -10.370 -1.471 -10.814
107 HG2 MET 15 HG2 MET 15 -8.545 -1.739 -12.337
108 HG3 MET 15 HG1 MET 15 -9.648 -2.046 -13.678
109 HE1 MET 15 HE1 MET 15 -10.219 0.626 -10.864
110 HE2 MET 15 HE2 MET 15 -9.398 2.034 -11.535
111 HE3 MET 15 HE3 MET 15 -8.465 0.623 -11.038
112 H GLY 16 HN GLY 16 -9.685 -5.667 -12.173
113 HA2 GLY 16 HA2 GLY 16 -7.605 -6.647 -11.778
114 HA3 GLY 16 HA1 GLY 16 -7.140 -5.230 -10.843
115 H GLY 17 HN GLY 17 -9.989 -5.776 -9.619
116 HA2 GLY 17 HA2 GLY 17 -10.357 -7.951 -8.183
117 HA3 GLY 17 HA1 GLY 17 -8.928 -7.311 -7.381
118 HA PRO 18 HA PRO 18 -13.111 -5.363 -5.918
119 HB2 PRO 18 HB2 PRO 18 -13.083 -6.598 -3.440
120 HB3 PRO 18 HB1 PRO 18 -14.065 -7.107 -4.815
121 HG2 PRO 18 HG2 PRO 18 -11.470 -8.192 -3.831
122 HG3 PRO 18 HG1 PRO 18 -12.864 -9.052 -4.505
123 HD2 PRO 18 HD2 PRO 18 -10.638 -8.599 -5.943
124 HD3 PRO 18 HD1 PRO 18 -12.251 -8.593 -6.685
125 H THR 19 HN THR 19 -13.025 -3.535 -4.733
126 HA THR 19 HA THR 19 -10.436 -2.576 -4.039
127 HB THR 19 HB THR 19 -11.692 -0.513 -3.352
128 HG1 THR 19 HG1 THR 19 -13.731 -1.026 -2.846
129 HG21 THR 19 HG21 THR 19 -10.820 -0.825 -5.618
130 HG22 THR 19 HG22 THR 19 -12.320 0.097 -5.619
131 HG23 THR 19 HG23 THR 19 -12.330 -1.604 -6.088
132 H VAL 20 HN VAL 20 -9.548 -2.120 -2.111
133 HA VAL 20 HA VAL 20 -10.927 -3.161 0.267
134 HB VAL 20 HB VAL 20 -7.997 -2.712 -0.082
135 HG11 VAL 20 HG11 VAL 20 -7.772 -4.103 1.918
136 HG12 VAL 20 HG12 VAL 20 -9.529 -4.208 2.027
137 HG13 VAL 20 HG13 VAL 20 -8.724 -2.652 2.230
138 HG21 VAL 20 HG21 VAL 20 -8.708 -4.433 -1.631
139 HG22 VAL 20 HG22 VAL 20 -9.539 -5.280 -0.326
140 HG23 VAL 20 HG23 VAL 20 -7.781 -5.145 -0.311
141 H LEU 21 HN LEU 21 -11.548 -1.712 1.766
142 HA LEU 21 HA LEU 21 -10.797 1.042 1.592
143 HB2 LEU 21 HB2 LEU 21 -12.966 0.343 2.518
144 HB3 LEU 21 HB1 LEU 21 -12.139 -0.463 3.836
145 HG LEU 21 HG LEU 21 -11.176 1.829 4.424
146 HD11 LEU 21 HD11 LEU 21 -12.484 3.754 3.701
147 HD12 LEU 21 HD12 LEU 21 -13.435 2.716 2.639
148 HD13 LEU 21 HD13 LEU 21 -11.715 2.950 2.332
149 HD21 LEU 21 HD21 LEU 21 -14.136 1.363 4.690
150 HD22 LEU 21 HD22 LEU 21 -13.155 2.430 5.696
151 HD23 LEU 21 HD23 LEU 21 -12.881 0.687 5.729
152 H VAL 22 HN VAL 22 -8.646 1.221 1.760
153 HA VAL 22 HA VAL 22 -7.087 -0.261 3.614
154 HB VAL 22 HB VAL 22 -6.353 2.169 1.980
155 HG11 VAL 22 HG11 VAL 22 -4.044 1.581 2.392
156 HG12 VAL 22 HG12 VAL 22 -4.538 0.176 3.338
157 HG13 VAL 22 HG13 VAL 22 -4.871 1.802 3.935
158 HG21 VAL 22 HG21 VAL 22 -7.025 0.297 0.602
159 HG22 VAL 22 HG22 VAL 22 -5.921 -0.767 1.472
160 HG23 VAL 22 HG23 VAL 22 -5.284 0.547 0.486
161 H LYS 23 HN LYS 23 -6.779 0.108 5.662
162 HA LYS 23 HA LYS 23 -7.600 2.569 6.924
163 HB2 LYS 23 HB2 LYS 23 -6.229 0.129 8.030
164 HB3 LYS 23 HB1 LYS 23 -6.777 1.491 8.999
165 HG2 LYS 23 HG2 LYS 23 -8.291 -0.725 7.820
166 HG3 LYS 23 HG1 LYS 23 -8.575 0.219 9.270
167 HD2 LYS 23 HD2 LYS 23 -9.443 2.057 7.903
168 HD3 LYS 23 HD1 LYS 23 -9.201 1.067 6.462
169 HE2 LYS 23 HE2 LYS 23 -11.528 1.013 7.218
170 HE3 LYS 23 HE1 LYS 23 -10.775 -0.579 7.293
171 HZ1 LYS 23 HZ1 LYS 23 -10.482 -0.314 9.658
172 HZ2 LYS 23 HZ2 LYS 23 -12.108 -0.077 9.263
173 HZ3 LYS 23 HZ3 LYS 23 -11.119 1.251 9.607
174 H ARG 24 HN ARG 24 -4.654 0.865 6.146
175 HA ARG 24 HA ARG 24 -3.039 3.152 5.901
176 HB2 ARG 24 HB2 ARG 24 -1.519 2.751 7.818
177 HB3 ARG 24 HB1 ARG 24 -3.129 3.234 8.337
178 HG2 ARG 24 HG2 ARG 24 -3.682 0.935 8.864
179 HG3 ARG 24 HG1 ARG 24 -2.108 0.403 8.272
180 HD2 ARG 24 HD2 ARG 24 -2.242 0.588 10.743
181 HD3 ARG 24 HD1 ARG 24 -0.982 1.584 10.019
182 HE ARG 24 HE ARG 24 -3.000 3.325 10.177
183 HH11 ARG 24 HH11 ARG 24 -1.715 1.085 12.537
184 HH12 ARG 24 HH12 ARG 24 -2.155 2.069 13.895
185 HH21 ARG 24 HH21 ARG 24 -3.587 4.618 11.951
186 HH22 ARG 24 HH22 ARG 24 -3.227 4.084 13.563
187 H PHE 25 HN PHE 25 -0.697 2.472 5.692
188 HA PHE 25 HA PHE 25 -0.601 -0.197 4.471
189 HB2 PHE 25 HB2 PHE 25 0.987 2.318 3.960
190 HB3 PHE 25 HB1 PHE 25 1.479 0.746 3.336
191 HD1 PHE 25 HD1 PHE 25 -1.432 3.067 3.385
192 HD2 PHE 25 HD2 PHE 25 0.692 0.030 1.307
193 HE1 PHE 25 HE1 PHE 25 -2.927 3.347 1.458
194 HE2 PHE 25 HE2 PHE 25 -0.794 0.309 -0.629
195 HZ PHE 25 HZ PHE 25 -2.612 1.969 -0.560
196 H GLN 26 HN GLN 26 0.539 -1.699 5.371
197 HA GLN 26 HA GLN 26 2.399 -1.012 7.548
198 HB2 GLN 26 HB2 GLN 26 0.411 -2.536 7.978
199 HB3 GLN 26 HB1 GLN 26 1.170 -3.703 6.910
200 HG2 GLN 26 HG2 GLN 26 1.815 -4.451 8.978
201 HG3 GLN 26 HG1 GLN 26 3.200 -3.467 8.505
202 HE21 GLN 26 HE21 GLN 26 3.554 -1.482 9.546
203 HE22 GLN 26 HE22 GLN 26 2.757 -1.086 11.035
204 H LEU 27 HN LEU 27 4.544 -1.375 7.221
205 HA LEU 27 HA LEU 27 5.268 -2.723 4.707
206 HB2 LEU 27 HB2 LEU 27 6.714 -0.698 6.403
207 HB3 LEU 27 HB1 LEU 27 7.519 -1.603 5.139
208 HG LEU 27 HG LEU 27 6.959 0.551 4.283
209 HD11 LEU 27 HD11 LEU 27 5.115 -1.559 3.205
210 HD12 LEU 27 HD12 LEU 27 6.765 -1.215 2.684
211 HD13 LEU 27 HD13 LEU 27 5.483 -0.040 2.396
212 HD21 LEU 27 HD21 LEU 27 4.106 -0.014 5.071
213 HD22 LEU 27 HD22 LEU 27 4.665 1.385 4.153
214 HD23 LEU 27 HD23 LEU 27 5.180 1.163 5.824
215 H SER 28 HN SER 28 6.502 -4.480 4.672
216 HA SER 28 HA SER 28 7.558 -5.468 7.234
217 HB2 SER 28 HB2 SER 28 5.443 -6.618 6.612
218 HB3 SER 28 HB1 SER 28 6.184 -7.119 5.095
219 HG SER 28 HG SER 28 7.589 -8.415 6.201
220 H GLY 29 HN GLY 29 9.613 -6.251 7.149
221 HA2 GLY 29 HA2 GLY 29 11.493 -7.248 6.147
222 HA3 GLY 29 HA1 GLY 29 10.760 -6.997 4.571
223 H ASN 30 HN ASN 30 10.269 -4.140 5.790
224 HA ASN 30 HA ASN 30 12.518 -2.930 4.498
225 HB2 ASN 30 HB2 ASN 30 11.476 -0.792 5.263
226 HB3 ASN 30 HB1 ASN 30 10.375 -1.819 4.352
227 HD21 ASN 30 HD21 ASN 30 9.954 0.315 6.386
228 HD22 ASN 30 HD22 ASN 30 8.928 -0.407 7.582
229 H ARG 31 HN ARG 31 14.304 -2.022 5.378
230 HA ARG 31 HA ARG 31 14.458 -1.930 8.322
231 HB2 ARG 31 HB2 ARG 31 15.752 -3.832 7.673
232 HB3 ARG 31 HB1 ARG 31 16.533 -2.936 6.379
233 HG2 ARG 31 HG2 ARG 31 18.026 -3.280 8.277
234 HG3 ARG 31 HG1 ARG 31 17.710 -1.569 7.999
235 HD2 ARG 31 HD2 ARG 31 16.041 -1.597 9.799
236 HD3 ARG 31 HD1 ARG 31 16.394 -3.300 10.086
237 HE ARG 31 HE ARG 31 18.814 -2.063 10.305
238 HH11 ARG 31 HH11 ARG 31 15.701 -1.630 11.839
239 HH12 ARG 31 HH12 ARG 31 16.376 -1.077 13.338
240 HH21 ARG 31 HH21 ARG 31 19.710 -1.328 12.273
241 HH22 ARG 31 HH22 ARG 31 18.656 -0.892 13.580
242 H GLN 32 HN GLN 32 15.754 -0.689 5.261
243 HA GLN 32 HA GLN 32 17.301 1.375 6.415
244 HB2 GLN 32 HB2 GLN 32 17.466 0.450 4.059
245 HB3 GLN 32 HB1 GLN 32 16.054 1.417 3.668
246 HG2 GLN 32 HG2 GLN 32 18.158 2.492 3.014
247 HG3 GLN 32 HG1 GLN 32 17.237 3.442 4.179
248 HE21 GLN 32 HE21 GLN 32 18.051 3.772 6.223
249 HE22 GLN 32 HE22 GLN 32 19.668 3.348 6.670
250 H PHE 33 HN PHE 33 13.991 1.271 5.204
251 HA PHE 33 HA PHE 33 13.505 3.833 6.565
252 HB2 PHE 33 HB2 PHE 33 12.089 2.893 4.058
253 HB3 PHE 33 HB1 PHE 33 11.906 4.448 4.863
254 HD1 PHE 33 HD2 PHE 33 13.762 6.091 4.821
255 HD2 PHE 33 HD1 PHE 33 13.850 2.508 2.527
256 HE1 PHE 33 HE2 PHE 33 15.537 7.040 3.410
257 HE2 PHE 33 HE1 PHE 33 15.620 3.455 1.113
258 HZ PHE 33 HZ PHE 33 16.485 5.715 1.572
259 H ASP 34 HN ASP 34 11.809 3.799 7.992
260 HA ASP 34 HA ASP 34 10.561 1.203 8.384
261 HB2 ASP 34 HB2 ASP 34 9.895 1.937 10.541
262 HB3 ASP 34 HB1 ASP 34 11.531 2.536 10.307
263 H ASP 35 HN ASP 35 8.176 1.491 9.314
264 HA ASP 35 HA ASP 35 6.516 1.695 7.151
265 HB2 ASP 35 HB2 ASP 35 5.889 2.104 10.068
266 HB3 ASP 35 HB1 ASP 35 4.647 2.036 8.831
267 H ARG 36 HN ARG 36 7.190 4.223 9.533
268 HA ARG 36 HA ARG 36 5.212 6.038 8.807
269 HB2 ARG 36 HB2 ARG 36 7.958 6.608 9.908
270 HB3 ARG 36 HB1 ARG 36 6.604 7.730 9.910
271 HG2 ARG 36 HG2 ARG 36 5.385 6.396 11.437
272 HG3 ARG 36 HG1 ARG 36 6.513 5.047 11.258
273 HD2 ARG 36 HD2 ARG 36 7.104 7.739 12.468
274 HD3 ARG 36 HD1 ARG 36 6.931 6.215 13.337
275 HE ARG 36 HE ARG 36 8.910 5.734 11.512
276 HH11 ARG 36 HH11 ARG 36 8.426 8.043 14.097
277 HH12 ARG 36 HH12 ARG 36 10.121 8.289 14.368
278 HH21 ARG 36 HH21 ARG 36 11.133 6.062 11.845
279 HH22 ARG 36 HH22 ARG 36 11.670 7.166 13.077
280 H ARG 37 HN ARG 37 8.430 5.558 7.465
281 HA ARG 37 HA ARG 37 8.326 7.967 5.907
282 HB2 ARG 37 HB2 ARG 37 10.478 7.107 6.690
283 HB3 ARG 37 HB1 ARG 37 10.238 5.627 5.772
284 HG2 ARG 37 HG2 ARG 37 11.777 7.162 4.651
285 HG3 ARG 37 HG1 ARG 37 10.325 6.870 3.689
286 HD2 ARG 37 HD2 ARG 37 9.377 8.984 4.631
287 HD3 ARG 37 HD1 ARG 37 10.943 9.293 5.373
288 HE ARG 37 HE ARG 37 11.863 9.640 3.227
289 HH11 ARG 37 HH11 ARG 37 8.422 8.961 3.099
290 HH12 ARG 37 HH12 ARG 37 8.197 9.768 1.578
291 HH21 ARG 37 HH21 ARG 37 11.544 10.710 1.222
292 HH22 ARG 37 HH22 ARG 37 9.960 10.743 0.511
293 H LEU 38 HN LEU 38 7.728 4.548 5.352
294 HA LEU 38 HA LEU 38 7.600 4.906 2.498
295 HB2 LEU 38 HB2 LEU 38 7.233 2.560 4.313
296 HB3 LEU 38 HB1 LEU 38 6.752 2.465 2.634
297 HG LEU 38 HG LEU 38 8.834 1.977 2.025
298 HD11 LEU 38 HD11 LEU 38 9.718 4.433 3.517
299 HD12 LEU 38 HD12 LEU 38 9.356 4.304 1.795
300 HD13 LEU 38 HD13 LEU 38 10.749 3.460 2.469
301 HD21 LEU 38 HD21 LEU 38 8.919 0.784 4.124
302 HD22 LEU 38 HD22 LEU 38 9.515 2.229 4.942
303 HD23 LEU 38 HD23 LEU 38 10.505 1.436 3.715
304 H LEU 39 HN LEU 39 5.282 4.646 5.138
305 HA LEU 39 HA LEU 39 3.030 4.207 3.461
306 HB2 LEU 39 HB2 LEU 39 1.660 4.801 5.399
307 HB3 LEU 39 HB1 LEU 39 2.897 3.634 5.800
308 HG LEU 39 HG LEU 39 4.230 5.679 6.679
309 HD11 LEU 39 HD11 LEU 39 2.773 7.411 5.751
310 HD12 LEU 39 HD12 LEU 39 2.853 7.508 7.511
311 HD13 LEU 39 HD13 LEU 39 1.434 6.811 6.730
312 HD21 LEU 39 HD21 LEU 39 3.387 3.924 8.106
313 HD22 LEU 39 HD22 LEU 39 1.771 4.630 8.071
314 HD23 LEU 39 HD23 LEU 39 3.092 5.493 8.859
315 H ALA 40 HN ALA 40 4.893 6.977 4.134
316 HA ALA 40 HA ALA 40 2.934 8.951 3.555
317 HB1 ALA 40 HB1 ALA 40 5.042 9.452 4.730
318 HB2 ALA 40 HB2 ALA 40 4.800 10.482 3.319
319 HB3 ALA 40 HB3 ALA 40 5.930 9.129 3.241
320 H LEU 41 HN LEU 41 4.869 6.838 1.612
321 HA LEU 41 HA LEU 41 4.615 8.206 -0.863
322 HB2 LEU 41 HB2 LEU 41 5.088 5.318 -0.147
323 HB3 LEU 41 HB1 LEU 41 4.961 5.852 -1.813
324 HG LEU 41 HG LEU 41 6.893 7.404 -0.248
325 HD11 LEU 41 HD11 LEU 41 8.528 5.752 0.058
326 HD12 LEU 41 HD12 LEU 41 7.637 4.574 -0.898
327 HD13 LEU 41 HD13 LEU 41 7.051 5.031 0.700
328 HD21 LEU 41 HD21 LEU 41 7.120 5.826 -2.809
329 HD22 LEU 41 HD22 LEU 41 8.231 7.073 -2.233
330 HD23 LEU 41 HD23 LEU 41 6.586 7.504 -2.702
331 H LEU 42 HN LEU 42 2.472 6.358 1.066
332 HA LEU 42 HA LEU 42 0.543 6.187 -1.150
333 HB2 LEU 42 HB2 LEU 42 0.562 4.623 1.431
334 HB3 LEU 42 HB1 LEU 42 -0.597 4.448 0.133
335 HG LEU 42 HG LEU 42 0.714 2.664 -0.327
336 HD11 LEU 42 HD11 LEU 42 2.306 4.848 -1.641
337 HD12 LEU 42 HD12 LEU 42 0.855 4.079 -2.285
338 HD13 LEU 42 HD13 LEU 42 2.334 3.139 -2.080
339 HD21 LEU 42 HD21 LEU 42 2.170 2.943 1.584
340 HD22 LEU 42 HD22 LEU 42 3.109 4.158 0.713
341 HD23 LEU 42 HD23 LEU 42 3.089 2.486 0.152
342 H HIS 43 HN HIS 43 1.260 8.346 0.936
343 HA HIS 43 HA HIS 43 -0.600 8.560 2.943
344 HB2 HIS 43 HB2 HIS 43 0.022 10.823 3.175
345 HB3 HIS 43 HB1 HIS 43 1.434 10.016 2.516
346 HD1 HIS 43 HD1 HIS 43 -0.674 12.896 2.008
347 HD2 HIS 43 HD2 HIS 43 1.666 10.461 -0.416
348 HE1 HIS 43 HE1 HIS 43 -0.281 14.212 -0.096
349 HE2 HIS 43 HE2 HIS 43 1.278 12.791 -1.466
350 H ASP 44 HN ASP 44 -1.254 8.983 -0.422
351 HA ASP 44 HA ASP 44 -3.633 10.600 0.103
352 HB2 ASP 44 HB2 ASP 44 -3.759 10.927 -2.280
353 HB3 ASP 44 HB1 ASP 44 -2.095 11.192 -1.772
354 H LEU 45 HN LEU 45 -2.878 7.365 0.000
355 HA LEU 45 HA LEU 45 -5.141 6.537 -1.609
356 HB2 LEU 45 HB2 LEU 45 -3.005 4.923 -0.236
357 HB3 LEU 45 HB1 LEU 45 -4.284 4.237 -1.217
358 HG LEU 45 HG LEU 45 -2.114 6.107 -2.180
359 HD11 LEU 45 HD11 LEU 45 -1.325 4.179 -3.433
360 HD12 LEU 45 HD12 LEU 45 -2.605 3.187 -2.734
361 HD13 LEU 45 HD13 LEU 45 -1.333 3.841 -1.701
362 HD21 LEU 45 HD21 LEU 45 -4.383 4.791 -3.670
363 HD22 LEU 45 HD22 LEU 45 -3.024 5.622 -4.424
364 HD23 LEU 45 HD23 LEU 45 -4.151 6.519 -3.409
365 HA PRO 46 HA PRO 46 -6.396 4.133 2.275
366 HB2 PRO 46 HB2 PRO 46 -5.475 4.771 4.719
367 HB3 PRO 46 HB1 PRO 46 -4.620 3.674 3.640
368 HG2 PRO 46 HG2 PRO 46 -4.099 6.565 4.180
369 HG3 PRO 46 HG1 PRO 46 -2.950 5.223 4.014
370 HD2 PRO 46 HD2 PRO 46 -3.488 6.984 2.005
371 HD3 PRO 46 HD1 PRO 46 -2.991 5.306 1.723
372 H GLY 47 HN GLY 47 -8.072 4.445 3.850
373 HA2 GLY 47 HA2 GLY 47 -9.765 5.801 4.805
374 HA3 GLY 47 HA1 GLY 47 -9.064 7.203 3.999
375 H GLN 48 HN GLN 48 -8.784 5.298 1.623
376 HA GLN 48 HA GLN 48 -11.562 5.400 0.680
377 HB2 GLN 48 HB2 GLN 48 -9.001 5.830 -0.864
378 HB3 GLN 48 HB1 GLN 48 -10.583 5.653 -1.610
379 HG2 GLN 48 HG2 GLN 48 -11.367 7.652 -0.527
380 HG3 GLN 48 HG1 GLN 48 -9.851 7.798 0.355
381 HE21 GLN 48 HE21 GLN 48 -9.974 6.787 -2.980
382 HE22 GLN 48 HE22 GLN 48 -9.271 8.224 -3.640
383 H GLU 49 HN GLU 49 -11.835 3.862 -1.235
384 HA GLU 49 HA GLU 49 -10.695 1.282 -0.453
385 HB2 GLU 49 HB2 GLU 49 -13.026 1.985 -2.241
386 HB3 GLU 49 HB1 GLU 49 -12.446 0.349 -1.984
387 HG2 GLU 49 HG2 GLU 49 -12.803 1.306 0.568
388 HG3 GLU 49 HG1 GLU 49 -14.159 1.985 -0.336
389 H LEU 50 HN LEU 50 -8.872 0.801 -1.427
390 HA LEU 50 HA LEU 50 -8.422 1.675 -4.193
391 HB2 LEU 50 HB2 LEU 50 -6.497 0.554 -2.150
392 HB3 LEU 50 HB1 LEU 50 -6.062 1.031 -3.777
393 HG LEU 50 HG LEU 50 -5.349 2.798 -2.414
394 HD11 LEU 50 HD11 LEU 50 -6.548 3.561 -4.389
395 HD12 LEU 50 HD12 LEU 50 -6.719 4.698 -3.050
396 HD13 LEU 50 HD13 LEU 50 -8.049 3.616 -3.463
397 HD21 LEU 50 HD21 LEU 50 -6.457 2.218 -0.360
398 HD22 LEU 50 HD22 LEU 50 -8.022 2.679 -1.029
399 HD23 LEU 50 HD23 LEU 50 -6.787 3.907 -0.746
400 H ASN 51 HN ASN 51 -8.376 0.274 -5.828
401 HA ASN 51 HA ASN 51 -9.171 -2.442 -5.387
402 HB2 ASN 51 HB2 ASN 51 -9.011 -2.649 -7.861
403 HB3 ASN 51 HB1 ASN 51 -10.011 -1.296 -7.348
404 HD21 ASN 51 HD21 ASN 51 -9.365 0.774 -7.780
405 HD22 ASN 51 HD22 ASN 51 -8.023 1.149 -8.805
406 H LEU 52 HN LEU 52 -7.991 -4.287 -6.438
407 HA LEU 52 HA LEU 52 -5.563 -4.672 -5.184
408 HB2 LEU 52 HB2 LEU 52 -6.984 -6.055 -7.399
409 HB3 LEU 52 HB1 LEU 52 -5.304 -6.468 -7.132
410 HG LEU 52 HG LEU 52 -6.851 -8.022 -6.007
411 HD11 LEU 52 HD11 LEU 52 -5.185 -6.350 -4.138
412 HD12 LEU 52 HD12 LEU 52 -4.626 -7.714 -5.101
413 HD13 LEU 52 HD13 LEU 52 -5.791 -7.970 -3.802
414 HD21 LEU 52 HD21 LEU 52 -7.635 -5.619 -4.364
415 HD22 LEU 52 HD22 LEU 52 -8.110 -7.286 -4.045
416 HD23 LEU 52 HD23 LEU 52 -8.666 -6.476 -5.509
417 H SER 53 HN SER 53 -6.136 -3.653 -8.529
418 HA SER 53 HA SER 53 -3.509 -3.662 -9.445
419 HB2 SER 53 HB2 SER 53 -5.574 -1.592 -10.206
420 HB3 SER 53 HB1 SER 53 -4.273 -2.242 -11.202
421 HG SER 53 HG SER 53 -6.779 -3.232 -10.727
422 H GLN 54 HN GLN 54 -5.352 -1.036 -7.913
423 HA GLN 54 HA GLN 54 -3.190 0.790 -7.832
424 HB2 GLN 54 HB2 GLN 54 -5.910 0.653 -6.652
425 HB3 GLN 54 HB1 GLN 54 -4.772 1.759 -5.900
426 HG2 GLN 54 HG2 GLN 54 -4.367 2.741 -8.167
427 HG3 GLN 54 HG1 GLN 54 -5.687 1.739 -8.764
428 HE21 GLN 54 HE21 GLN 54 -7.247 2.009 -6.337
429 HE22 GLN 54 HE22 GLN 54 -7.894 3.608 -6.348
430 H LEU 55 HN LEU 55 -4.253 -1.746 -5.676
431 HA LEU 55 HA LEU 55 -2.702 -1.008 -3.430
432 HB2 LEU 55 HB2 LEU 55 -3.565 -3.760 -4.335
433 HB3 LEU 55 HB1 LEU 55 -2.909 -3.382 -2.757
434 HG LEU 55 HG LEU 55 -5.542 -2.429 -3.881
435 HD11 LEU 55 HD11 LEU 55 -4.872 -4.299 -1.614
436 HD12 LEU 55 HD12 LEU 55 -5.584 -4.741 -3.165
437 HD13 LEU 55 HD13 LEU 55 -6.489 -3.737 -2.035
438 HD21 LEU 55 HD21 LEU 55 -4.258 -1.826 -1.221
439 HD22 LEU 55 HD22 LEU 55 -5.912 -1.421 -1.680
440 HD23 LEU 55 HD23 LEU 55 -4.555 -0.674 -2.523
441 H HIS 56 HN HIS 56 -2.007 -3.052 -6.248
442 HA HIS 56 HA HIS 56 0.646 -3.686 -5.383
443 HB2 HIS 56 HB2 HIS 56 -0.713 -3.921 -8.067
444 HB3 HIS 56 HB1 HIS 56 0.966 -4.375 -7.810
445 HD1 HIS 56 HD1 HIS 56 1.424 -6.510 -6.411
446 HD2 HIS 56 HD2 HIS 56 -2.603 -5.716 -7.066
447 HE1 HIS 56 HE1 HIS 56 0.213 -8.619 -5.800
448 HE2 HIS 56 HE2 HIS 56 -2.183 -8.191 -6.437
449 H ALA 57 HN ALA 57 -0.790 -1.182 -7.379
450 HA ALA 57 HA ALA 57 1.588 -0.061 -8.394
451 HB1 ALA 57 HB1 ALA 57 0.256 1.930 -8.827
452 HB2 ALA 57 HB2 ALA 57 -1.021 1.320 -7.776
453 HB3 ALA 57 HB3 ALA 57 -0.636 0.477 -9.276
454 H ALA 58 HN ALA 58 -0.081 0.277 -5.352
455 HA ALA 58 HA ALA 58 1.278 2.492 -4.298
456 HB1 ALA 58 HB1 ALA 58 0.603 1.611 -2.114
457 HB2 ALA 58 HB2 ALA 58 0.181 0.073 -2.863
458 HB3 ALA 58 HB3 ALA 58 -0.722 1.531 -3.275
459 H ALA 59 HN ALA 59 2.051 -0.962 -4.269
460 HA ALA 59 HA ALA 59 4.371 -0.784 -2.671
461 HB1 ALA 59 HB1 ALA 59 3.191 -2.892 -3.062
462 HB2 ALA 59 HB2 ALA 59 4.893 -3.017 -3.506
463 HB3 ALA 59 HB3 ALA 59 3.665 -2.845 -4.759
464 H ALA 60 HN ALA 60 3.793 -0.428 -6.105
465 HA ALA 60 HA ALA 60 6.448 -0.530 -7.002
466 HB1 ALA 60 HB1 ALA 60 4.116 0.985 -8.170
467 HB2 ALA 60 HB2 ALA 60 4.541 -0.692 -8.513
468 HB3 ALA 60 HB3 ALA 60 5.623 0.610 -9.007
469 H ARG 61 HN ARG 61 4.513 2.112 -5.719
470 HA ARG 61 HA ARG 61 6.214 4.259 -6.273
471 HB2 ARG 61 HB2 ARG 61 4.470 3.813 -3.841
472 HB3 ARG 61 HB1 ARG 61 5.186 5.350 -4.299
473 HG2 ARG 61 HG2 ARG 61 3.862 5.422 -6.308
474 HG3 ARG 61 HG1 ARG 61 3.217 3.814 -5.972
475 HD2 ARG 61 HD2 ARG 61 2.181 4.636 -3.934
476 HD3 ARG 61 HD1 ARG 61 2.854 6.234 -4.218
477 HE ARG 61 HE ARG 61 1.205 5.278 -6.370
478 HH11 ARG 61 HH11 ARG 61 1.254 6.983 -3.305
479 HH12 ARG 61 HH12 ARG 61 -0.283 7.763 -3.567
480 HH21 ARG 61 HH21 ARG 61 -0.798 6.297 -6.723
481 HH22 ARG 61 HH22 ARG 61 -1.447 7.367 -5.519
482 H ILE 62 HN ILE 62 6.223 1.916 -3.656
483 HA ILE 62 HA ILE 62 8.326 3.230 -2.198
484 HB ILE 62 HB ILE 62 7.132 0.478 -1.847
485 HG12 ILE 62 HG12 ILE 62 6.563 3.068 -0.399
486 HG13 ILE 62 HG11 ILE 62 5.510 2.316 -1.590
487 HG21 ILE 62 HG21 ILE 62 8.094 0.586 0.425
488 HG22 ILE 62 HG22 ILE 62 8.908 2.091 -0.017
489 HG23 ILE 62 HG23 ILE 62 9.329 0.588 -0.837
490 HD11 ILE 62 HD11 ILE 62 5.129 0.449 -0.147
491 HD12 ILE 62 HD12 ILE 62 4.820 1.942 0.743
492 HD13 ILE 62 HD13 ILE 62 6.319 1.052 1.005
493 H GLY 63 HN GLY 63 8.010 0.517 -4.399
494 HA2 GLY 63 HA2 GLY 63 10.593 -0.542 -4.181
495 HA3 GLY 63 HA1 GLY 63 9.579 -0.622 -5.614
496 H ASP 64 HN ASP 64 9.344 1.973 -6.362
497 HA ASP 64 HA ASP 64 11.898 2.548 -7.496
498 HB2 ASP 64 HB2 ASP 64 9.210 3.858 -7.565
499 HB3 ASP 64 HB1 ASP 64 10.611 4.774 -8.102
500 H PHE 65 HN PHE 65 10.237 3.571 -4.637
501 HA PHE 65 HA PHE 65 11.616 5.942 -4.076
502 HB2 PHE 65 HB2 PHE 65 9.665 5.264 -2.775
503 HB3 PHE 65 HB1 PHE 65 10.527 3.853 -2.170
504 HD1 PHE 65 HD1 PHE 65 10.477 7.552 -2.123
505 HD2 PHE 65 HD2 PHE 65 11.879 3.989 -0.270
506 HE1 PHE 65 HE1 PHE 65 11.275 8.869 -0.206
507 HE2 PHE 65 HE2 PHE 65 12.680 5.300 1.651
508 HZ PHE 65 HZ PHE 65 12.404 7.744 1.670
509 H TYR 66 HN TYR 66 12.316 2.601 -3.125
510 HA TYR 66 HA TYR 66 14.789 3.097 -1.889
511 HB2 TYR 66 HB2 TYR 66 13.401 0.720 -3.009
512 HB3 TYR 66 HB1 TYR 66 15.135 0.587 -2.752
513 HD1 TYR 66 HD2 TYR 66 12.028 1.636 -0.946
514 HD2 TYR 66 HD1 TYR 66 15.912 -0.080 -0.708
515 HE1 TYR 66 HE2 TYR 66 11.653 1.135 1.428
516 HE2 TYR 66 HE1 TYR 66 15.559 -0.582 1.660
517 HH TYR 66 HH TYR 66 14.228 -0.336 3.415
518 H GLN 67 HN GLN 67 13.948 2.320 -5.235
519 HA GLN 67 HA GLN 67 16.556 2.056 -6.226
520 HB2 GLN 67 HB2 GLN 67 14.043 2.969 -7.632
521 HB3 GLN 67 HB1 GLN 67 15.541 2.538 -8.446
522 HG2 GLN 67 HG2 GLN 67 15.364 0.274 -7.471
523 HG3 GLN 67 HG1 GLN 67 13.807 0.726 -6.787
524 HE21 GLN 67 HE21 GLN 67 15.566 0.047 -9.705
525 HE22 GLN 67 HE22 GLN 67 14.191 -0.170 -10.724
526 H GLU 68 HN GLU 68 14.521 4.901 -5.767
527 HA GLU 68 HA GLU 68 16.162 6.789 -7.054
528 HB2 GLU 68 HB2 GLU 68 13.879 7.317 -6.332
529 HB3 GLU 68 HB1 GLU 68 14.364 7.160 -4.647
530 HG2 GLU 68 HG2 GLU 68 15.985 9.023 -5.030
531 HG3 GLU 68 HG1 GLU 68 15.262 9.239 -6.621
532 H LYS 69 HN LYS 69 16.282 5.341 -3.877
533 HA LYS 69 HA LYS 69 18.289 7.179 -2.907
534 HB2 LYS 69 HB2 LYS 69 17.265 4.631 -1.647
535 HB3 LYS 69 HB1 LYS 69 18.185 5.894 -0.845
536 HG2 LYS 69 HG2 LYS 69 15.392 6.111 -1.942
537 HG3 LYS 69 HG1 LYS 69 15.871 6.092 -0.245
538 HD2 LYS 69 HD2 LYS 69 17.054 8.198 -0.536
539 HD3 LYS 69 HD1 LYS 69 16.644 8.207 -2.253
540 HE2 LYS 69 HE2 LYS 69 14.242 8.214 -1.609
541 HE3 LYS 69 HE1 LYS 69 14.738 8.391 0.073
542 HZ1 LYS 69 HZ1 LYS 69 15.888 10.455 -0.577
543 HZ2 LYS 69 HZ2 LYS 69 14.219 10.529 -0.832
544 HZ3 LYS 69 HZ3 LYS 69 15.261 10.296 -2.143
545 H GLY 70 HN GLY 70 18.463 4.803 -5.067
546 HA2 GLY 70 HA2 GLY 70 20.545 4.182 -6.022
547 HA3 GLY 70 HA1 GLY 70 21.286 4.324 -4.437
548 H TYR 71 HN TYR 71 18.494 2.750 -3.870
549 HA TYR 71 HA TYR 71 19.868 0.187 -3.784
550 HB2 TYR 71 HB2 TYR 71 17.102 0.872 -2.770
551 HB3 TYR 71 HB1 TYR 71 18.042 -0.561 -2.374
552 HD1 TYR 71 HD1 TYR 71 20.419 -0.018 -1.334
553 HD2 TYR 71 HD2 TYR 71 17.071 2.600 -1.237
554 HE1 TYR 71 HE1 TYR 71 21.379 1.121 0.614
555 HE2 TYR 71 HE2 TYR 71 18.024 3.751 0.715
556 HH TYR 71 HH TYR 71 19.607 3.279 2.541
557 H VAL 72 HN VAL 72 19.896 0.024 -6.113
558 HA VAL 72 HA VAL 72 17.463 -0.162 -7.609
559 HB VAL 72 HB VAL 72 20.207 -1.132 -8.427
560 HG11 VAL 72 HG11 VAL 72 18.398 -1.906 -9.866
561 HG12 VAL 72 HG12 VAL 72 19.408 -0.727 -10.704
562 HG13 VAL 72 HG13 VAL 72 17.835 -0.246 -10.067
563 HG21 VAL 72 HG21 VAL 72 20.528 1.076 -9.449
564 HG22 VAL 72 HG22 VAL 72 20.358 1.184 -7.696
565 HG23 VAL 72 HG23 VAL 72 19.005 1.617 -8.742
566 H LEU 73 HN LEU 73 19.424 -2.332 -5.786
567 HA LEU 73 HA LEU 73 18.361 -4.734 -6.966
568 HB2 LEU 73 HB2 LEU 73 19.944 -4.324 -4.444
569 HB3 LEU 73 HB1 LEU 73 19.571 -5.879 -5.157
570 HG LEU 73 HG LEU 73 21.227 -3.736 -6.483
571 HD11 LEU 73 HD11 LEU 73 23.127 -5.219 -6.018
572 HD12 LEU 73 HD12 LEU 73 22.063 -6.272 -5.087
573 HD13 LEU 73 HD13 LEU 73 22.373 -4.624 -4.539
574 HD21 LEU 73 HD21 LEU 73 20.708 -6.605 -7.245
575 HD22 LEU 73 HD22 LEU 73 21.814 -5.505 -8.065
576 HD23 LEU 73 HD23 LEU 73 20.081 -5.181 -8.073
577 H ALA 74 HN ALA 74 17.055 -2.460 -5.022
578 HA ALA 74 HA ALA 74 15.543 -4.336 -3.349
579 HB1 ALA 74 HB1 ALA 74 14.882 -2.343 -2.067
580 HB2 ALA 74 HB2 ALA 74 15.837 -1.342 -3.159
581 HB3 ALA 74 HB3 ALA 74 16.633 -2.543 -2.141
582 H ARG 75 HN ARG 75 13.317 -4.357 -3.340
583 HA ARG 75 HA ARG 75 11.770 -2.525 -4.925
584 HB2 ARG 75 HB2 ARG 75 12.631 -4.186 -6.614
585 HB3 ARG 75 HB1 ARG 75 11.770 -5.441 -5.735
586 HG2 ARG 75 HG2 ARG 75 10.441 -4.799 -7.601
587 HG3 ARG 75 HG1 ARG 75 9.658 -4.185 -6.144
588 HD2 ARG 75 HD2 ARG 75 10.730 -1.978 -6.577
589 HD3 ARG 75 HD1 ARG 75 11.337 -2.619 -8.101
590 HE ARG 75 HE ARG 75 8.568 -3.025 -8.004
591 HH11 ARG 75 HH11 ARG 75 10.856 -0.379 -8.310
592 HH12 ARG 75 HH12 ARG 75 9.729 0.658 -9.135
593 HH21 ARG 75 HH21 ARG 75 7.121 -1.685 -9.111
594 HH22 ARG 75 HH22 ARG 75 7.625 -0.104 -9.624
595 H ALA 76 HN ALA 76 9.725 -2.394 -4.125
596 HA ALA 76 HA ALA 76 9.043 -4.223 -1.943
597 HB1 ALA 76 HB1 ALA 76 9.034 -1.834 -1.418
598 HB2 ALA 76 HB2 ALA 76 7.419 -2.527 -1.268
599 HB3 ALA 76 HB3 ALA 76 7.835 -1.558 -2.682
600 H PHE 77 HN PHE 77 7.185 -5.441 -1.944
601 HA PHE 77 HA PHE 77 5.406 -5.200 -4.260
602 HB2 PHE 77 HB2 PHE 77 5.431 -7.585 -4.676
603 HB3 PHE 77 HB1 PHE 77 7.074 -6.965 -4.771
604 HD1 PHE 77 HD1 PHE 77 8.680 -7.449 -2.976
605 HD2 PHE 77 HD2 PHE 77 4.798 -9.189 -3.031
606 HE1 PHE 77 HE1 PHE 77 9.421 -9.131 -1.347
607 HE2 PHE 77 HE2 PHE 77 5.530 -10.881 -1.400
608 HZ PHE 77 HZ PHE 77 7.821 -10.893 -0.587
609 H LEU 78 HN LEU 78 3.327 -6.190 -3.941
610 HA LEU 78 HA LEU 78 2.607 -6.322 -1.092
611 HB2 LEU 78 HB2 LEU 78 1.703 -4.391 -2.385
612 HB3 LEU 78 HB1 LEU 78 0.861 -5.526 -3.419
613 HG LEU 78 HG LEU 78 0.351 -5.586 -0.470
614 HD11 LEU 78 HD11 LEU 78 -1.477 -3.968 -0.805
615 HD12 LEU 78 HD12 LEU 78 -0.879 -3.657 -2.435
616 HD13 LEU 78 HD13 LEU 78 0.113 -3.245 -1.037
617 HD21 LEU 78 HD21 LEU 78 -1.851 -6.328 -1.236
618 HD22 LEU 78 HD22 LEU 78 -0.554 -7.342 -1.874
619 HD23 LEU 78 HD23 LEU 78 -1.327 -6.139 -2.912
620 HA PRO 79 HA PRO 79 1.797 -10.567 -2.323
621 HB2 PRO 79 HB2 PRO 79 1.788 -11.592 0.163
622 HB3 PRO 79 HB1 PRO 79 3.288 -11.133 -0.652
623 HG2 PRO 79 HG2 PRO 79 1.727 -9.641 1.419
624 HG3 PRO 79 HG1 PRO 79 3.480 -9.862 1.282
625 HD2 PRO 79 HD2 PRO 79 2.166 -7.602 0.474
626 HD3 PRO 79 HD1 PRO 79 3.699 -8.154 -0.228
627 H ALA 80 HN ALA 80 -0.343 -9.910 -3.044
628 HA ALA 80 HA ALA 80 -2.480 -9.607 -1.150
629 HB1 ALA 80 HB1 ALA 80 -2.490 -8.409 -3.281
630 HB2 ALA 80 HB2 ALA 80 -3.918 -9.432 -3.111
631 HB3 ALA 80 HB3 ALA 80 -2.584 -9.944 -4.145
632 H GLN 81 HN GLN 81 -2.136 -11.662 -0.040
633 HA GLN 81 HA GLN 81 -3.846 -13.702 -1.219
634 HB2 GLN 81 HB2 GLN 81 -2.218 -15.496 -0.466
635 HB3 GLN 81 HB1 GLN 81 -1.757 -14.574 -1.888
636 HG2 GLN 81 HG2 GLN 81 -0.292 -13.185 -0.466
637 HG3 GLN 81 HG1 GLN 81 -0.706 -14.208 0.907
638 HE21 GLN 81 HE21 GLN 81 -0.307 -15.469 -2.315
639 HE22 GLN 81 HE22 GLN 81 1.165 -16.318 -2.009
640 H GLU 82 HN GLU 82 -1.839 -12.990 1.655
641 HA GLU 82 HA GLU 82 -4.115 -13.873 3.305
642 HB2 GLU 82 HB2 GLU 82 -1.157 -14.094 3.875
643 HB3 GLU 82 HB1 GLU 82 -2.421 -14.458 5.041
644 HG2 GLU 82 HG2 GLU 82 -1.994 -15.865 2.416
645 HG3 GLU 82 HG1 GLU 82 -1.535 -16.476 4.005
646 H ILE 83 HN ILE 83 -3.749 -11.220 2.317
647 HA ILE 83 HA ILE 83 -2.854 -9.693 4.633
648 HB ILE 83 HB ILE 83 -3.846 -8.754 1.945
649 HG12 ILE 83 HG12 ILE 83 -1.080 -8.816 3.164
650 HG13 ILE 83 HG11 ILE 83 -1.653 -9.809 1.830
651 HG21 ILE 83 HG21 ILE 83 -4.394 -7.135 3.688
652 HG22 ILE 83 HG22 ILE 83 -3.120 -6.520 2.633
653 HG23 ILE 83 HG23 ILE 83 -2.716 -7.143 4.233
654 HD11 ILE 83 HD11 ILE 83 -0.264 -7.994 1.031
655 HD12 ILE 83 HD12 ILE 83 -1.332 -6.818 1.799
656 HD13 ILE 83 HD13 ILE 83 -1.922 -7.805 0.461
657 H GLN 84 HN GLN 84 -4.174 -8.947 6.115
658 HA GLN 84 HA GLN 84 -6.931 -9.513 6.176
659 HB2 GLN 84 HB2 GLN 84 -6.970 -8.122 8.201
660 HB3 GLN 84 HB1 GLN 84 -5.618 -9.242 8.218
661 HG2 GLN 84 HG2 GLN 84 -5.347 -6.375 7.361
662 HG3 GLN 84 HG1 GLN 84 -5.152 -6.901 9.030
663 HE21 GLN 84 HE21 GLN 84 -3.254 -5.690 7.115
664 HE22 GLN 84 HE22 GLN 84 -1.904 -6.778 7.066
665 H ASP 85 HN ASP 85 -8.634 -7.843 6.472
666 HA ASP 85 HA ASP 85 -8.541 -5.966 4.285
667 HB2 ASP 85 HB2 ASP 85 -10.894 -5.513 4.851
668 HB3 ASP 85 HB1 ASP 85 -10.597 -7.238 4.688
669 H GLY 86 HN GLY 86 -8.855 -3.716 4.477
670 HA2 GLY 86 HA2 GLY 86 -8.795 -1.653 5.580
671 HA3 GLY 86 HA1 GLY 86 -8.517 -2.488 7.098
672 H THR 87 HN THR 87 -6.376 -3.068 7.671
673 HA THR 87 HA THR 87 -4.335 -1.399 6.570
674 HB THR 87 HB THR 87 -4.100 -3.716 8.505
675 HG1 THR 87 HG1 THR 87 -4.668 -2.320 9.997
676 HG21 THR 87 HG21 THR 87 -2.143 -1.515 7.817
677 HG22 THR 87 HG22 THR 87 -1.944 -3.239 7.491
678 HG23 THR 87 HG23 THR 87 -1.957 -2.648 9.154
679 H VAL 88 HN VAL 88 -3.176 -1.805 4.806
680 HA VAL 88 HA VAL 88 -3.028 -4.564 3.824
681 HB VAL 88 HB VAL 88 -2.379 -3.620 1.657
682 HG11 VAL 88 HG11 VAL 88 -4.740 -3.982 2.093
683 HG12 VAL 88 HG12 VAL 88 -4.513 -2.552 1.085
684 HG13 VAL 88 HG13 VAL 88 -4.874 -2.373 2.802
685 HG21 VAL 88 HG21 VAL 88 -2.787 -0.928 2.953
686 HG22 VAL 88 HG22 VAL 88 -2.410 -1.226 1.254
687 HG23 VAL 88 HG23 VAL 88 -1.229 -1.625 2.506
688 H ARG 89 HN ARG 89 -1.070 -5.574 3.513
689 HA ARG 89 HA ARG 89 1.213 -4.142 4.674
690 HB2 ARG 89 HB2 ARG 89 0.342 -6.270 5.773
691 HB3 ARG 89 HB1 ARG 89 1.004 -7.126 4.381
692 HG2 ARG 89 HG2 ARG 89 3.193 -5.914 4.940
693 HG3 ARG 89 HG1 ARG 89 2.444 -5.608 6.509
694 HD2 ARG 89 HD2 ARG 89 2.855 -8.311 5.245
695 HD3 ARG 89 HD1 ARG 89 3.831 -7.611 6.528
696 HE ARG 89 HE ARG 89 1.282 -7.583 7.515
697 HH11 ARG 89 HH11 ARG 89 3.434 -10.041 6.263
698 HH12 ARG 89 HH12 ARG 89 2.754 -11.310 7.227
699 HH21 ARG 89 HH21 ARG 89 0.399 -9.251 8.807
700 HH22 ARG 89 HH22 ARG 89 1.031 -10.862 8.679
701 H ILE 90 HN ILE 90 2.904 -3.697 3.490
702 HA ILE 90 HA ILE 90 3.232 -5.050 0.890
703 HB ILE 90 HB ILE 90 4.144 -2.291 1.726
704 HG12 ILE 90 HG12 ILE 90 2.020 -3.192 -0.232
705 HG13 ILE 90 HG11 ILE 90 1.741 -2.393 1.311
706 HG21 ILE 90 HG21 ILE 90 5.755 -3.305 0.226
707 HG22 ILE 90 HG22 ILE 90 4.866 -2.033 -0.611
708 HG23 ILE 90 HG23 ILE 90 4.469 -3.727 -0.905
709 HD11 ILE 90 HD11 ILE 90 3.153 -1.187 -1.054
710 HD12 ILE 90 HD12 ILE 90 2.830 -0.386 0.484
711 HD13 ILE 90 HD13 ILE 90 1.491 -0.861 -0.563
712 H GLU 91 HN GLU 91 5.084 -6.167 0.577
713 HA GLU 91 HA GLU 91 6.992 -6.175 2.789
714 HB2 GLU 91 HB2 GLU 91 6.669 -8.096 0.481
715 HB3 GLU 91 HB1 GLU 91 7.862 -8.253 1.764
716 HG2 GLU 91 HG2 GLU 91 5.911 -8.263 3.378
717 HG3 GLU 91 HG1 GLU 91 4.879 -8.472 1.965
718 H VAL 92 HN VAL 92 8.884 -5.283 2.654
719 HA VAL 92 HA VAL 92 9.704 -4.117 0.098
720 HB VAL 92 HB VAL 92 10.684 -3.533 2.898
721 HG11 VAL 92 HG11 VAL 92 11.765 -1.575 1.851
722 HG12 VAL 92 HG12 VAL 92 11.290 -2.189 0.267
723 HG13 VAL 92 HG13 VAL 92 12.417 -3.108 1.270
724 HG21 VAL 92 HG21 VAL 92 9.474 -1.375 2.581
725 HG22 VAL 92 HG22 VAL 92 8.410 -2.779 2.665
726 HG23 VAL 92 HG23 VAL 92 8.772 -2.037 1.105
727 H LEU 93 HN LEU 93 10.872 -5.595 -0.992
728 HA LEU 93 HA LEU 93 12.874 -7.186 0.373
729 HB2 LEU 93 HB2 LEU 93 11.540 -8.142 -1.475
730 HB3 LEU 93 HB1 LEU 93 12.225 -6.958 -2.570
731 HG LEU 93 HG LEU 93 14.476 -7.937 -2.152
732 HD11 LEU 93 HD11 LEU 93 14.038 -8.906 0.043
733 HD12 LEU 93 HD12 LEU 93 14.626 -10.126 -1.084
734 HD13 LEU 93 HD13 LEU 93 12.912 -10.053 -0.681
735 HD21 LEU 93 HD21 LEU 93 13.162 -8.574 -4.104
736 HD22 LEU 93 HD22 LEU 93 12.379 -9.849 -3.171
737 HD23 LEU 93 HD23 LEU 93 14.108 -9.936 -3.505
738 H GLU 94 HN GLU 94 14.391 -5.753 1.119
739 HA GLU 94 HA GLU 94 15.451 -3.639 -0.472
740 HB2 GLU 94 HB2 GLU 94 16.629 -4.899 2.005
741 HB3 GLU 94 HB1 GLU 94 17.056 -3.333 1.337
742 HG2 GLU 94 HG2 GLU 94 14.754 -2.560 1.803
743 HG3 GLU 94 HG1 GLU 94 14.420 -4.118 2.552
744 H GLY 95 HN GLY 95 16.066 -6.975 -0.222
745 HA2 GLY 95 HA2 GLY 95 17.616 -7.308 -2.418
746 HA3 GLY 95 HA1 GLY 95 18.786 -6.916 -1.162
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 -20.721 -10.192 -3.173
2 H2 MET 1 HT2 MET 1 -21.752 -8.910 -2.789
3 H3 MET 1 HT3 MET 1 -22.201 -10.030 -3.973
4 HA MET 1 HA MET 1 -23.379 -10.396 -1.898
5 HB2 MET 1 HB2 MET 1 -22.879 -12.271 -3.436
6 HB3 MET 1 HB1 MET 1 -21.385 -12.569 -2.561
7 HG2 MET 1 HG2 MET 1 -22.669 -13.070 -0.544
8 HG3 MET 1 HG1 MET 1 -24.165 -12.791 -1.435
9 HE1 MET 1 HE1 MET 1 -23.401 -14.082 -4.298
10 HE2 MET 1 HE2 MET 1 -24.955 -14.273 -3.484
11 HE3 MET 1 HE3 MET 1 -24.086 -15.691 -4.072
12 H ALA 2 HN ALA 2 -19.972 -11.406 -1.487
13 HA ALA 2 HA ALA 2 -20.297 -11.200 1.395
14 HB1 ALA 2 HB1 ALA 2 -19.176 -13.160 0.466
15 HB2 ALA 2 HB2 ALA 2 -18.094 -12.242 1.514
16 HB3 ALA 2 HB3 ALA 2 -17.937 -12.123 -0.238
17 H HIS 3 HN HIS 3 -20.474 -8.941 1.631
18 HA HIS 3 HA HIS 3 -18.306 -7.248 0.720
19 HB2 HIS 3 HB2 HIS 3 -20.731 -6.618 2.414
20 HB3 HIS 3 HB1 HIS 3 -19.578 -5.426 1.828
21 HD1 HIS 3 HD1 HIS 3 -22.724 -6.926 0.991
22 HD2 HIS 3 HD2 HIS 3 -19.497 -5.434 -1.155
23 HE1 HIS 3 HE1 HIS 3 -23.609 -6.449 -1.312
24 HE2 HIS 3 HE2 HIS 3 -21.617 -5.638 -2.623
25 H HIS 4 HN HIS 4 -16.529 -8.108 1.856
26 HA HIS 4 HA HIS 4 -16.540 -8.204 4.729
27 HB2 HIS 4 HB2 HIS 4 -14.281 -8.390 2.729
28 HB3 HIS 4 HB1 HIS 4 -14.058 -8.541 4.465
29 HD1 HIS 4 HD1 HIS 4 -14.267 -10.834 5.397
30 HD2 HIS 4 HD2 HIS 4 -16.068 -10.491 1.665
31 HE1 HIS 4 HE1 HIS 4 -14.996 -13.160 4.778
32 HE2 HIS 4 HE2 HIS 4 -16.179 -12.909 2.569
33 H HIS 5 HN HIS 5 -15.451 -5.957 2.274
34 HA HIS 5 HA HIS 5 -14.422 -4.117 4.262
35 HB2 HIS 5 HB2 HIS 5 -13.916 -2.638 2.326
36 HB3 HIS 5 HB1 HIS 5 -13.186 -4.229 2.186
37 HD1 HIS 5 HD1 HIS 5 -14.954 -1.815 0.233
38 HD2 HIS 5 HD2 HIS 5 -14.915 -5.974 0.429
39 HE1 HIS 5 HE1 HIS 5 -15.889 -2.616 -1.957
40 HE2 HIS 5 HE2 HIS 5 -16.021 -5.119 -1.741
41 H HIS 6 HN HIS 6 -15.537 -2.540 5.181
42 HA HIS 6 HA HIS 6 -18.193 -1.888 4.071
43 HB2 HIS 6 HB2 HIS 6 -17.289 -1.852 6.960
44 HB3 HIS 6 HB1 HIS 6 -18.868 -1.324 6.393
45 HD1 HIS 6 HD1 HIS 6 -20.574 -3.150 5.773
46 HD2 HIS 6 HD2 HIS 6 -16.905 -4.629 7.046
47 HE1 HIS 6 HE1 HIS 6 -20.928 -5.609 6.150
48 HE2 HIS 6 HE2 HIS 6 -18.741 -6.448 7.064
49 H HIS 7 HN HIS 7 -18.871 0.378 5.246
50 HA HIS 7 HA HIS 7 -18.655 2.626 5.015
51 HB2 HIS 7 HB2 HIS 7 -15.846 1.940 5.879
52 HB3 HIS 7 HB1 HIS 7 -16.365 3.599 5.601
53 HD1 HIS 7 HD1 HIS 7 -16.286 0.997 8.146
54 HD2 HIS 7 HD2 HIS 7 -18.540 4.402 7.378
55 HE1 HIS 7 HE1 HIS 7 -17.437 1.547 10.307
56 HE2 HIS 7 HE2 HIS 7 -18.965 3.467 9.750
57 H HIS 8 HN HIS 8 -19.074 2.044 2.729
58 HA HIS 8 HA HIS 8 -16.902 1.696 0.931
59 HB2 HIS 8 HB2 HIS 8 -19.839 2.169 0.460
60 HB3 HIS 8 HB1 HIS 8 -18.681 1.917 -0.843
61 HD1 HIS 8 HD1 HIS 8 -17.070 -0.420 0.039
62 HD2 HIS 8 HD2 HIS 8 -21.163 -0.142 0.745
63 HE1 HIS 8 HE1 HIS 8 -17.875 -2.786 0.366
64 HE2 HIS 8 HE2 HIS 8 -20.313 -2.569 0.969
65 H VAL 9 HN VAL 9 -15.981 2.982 -0.464
66 HA VAL 9 HA VAL 9 -16.735 5.832 -0.499
67 HB VAL 9 HB VAL 9 -14.037 4.611 -1.135
68 HG11 VAL 9 HG11 VAL 9 -14.886 7.495 -0.896
69 HG12 VAL 9 HG12 VAL 9 -14.465 6.653 -2.387
70 HG13 VAL 9 HG13 VAL 9 -13.235 6.929 -1.152
71 HG21 VAL 9 HG21 VAL 9 -14.956 6.125 1.305
72 HG22 VAL 9 HG22 VAL 9 -13.284 5.694 0.954
73 HG23 VAL 9 HG23 VAL 9 -14.480 4.429 1.234
74 H ASP 10 HN ASP 10 -15.672 3.023 -2.321
75 HA ASP 10 HA ASP 10 -17.434 3.208 -4.402
76 HB2 ASP 10 HB2 ASP 10 -16.330 5.315 -5.075
77 HB3 ASP 10 HB1 ASP 10 -14.796 4.459 -5.210
78 H ASP 11 HN ASP 11 -17.464 1.193 -5.107
79 HA ASP 11 HA ASP 11 -14.940 -0.332 -5.145
80 HB2 ASP 11 HB2 ASP 11 -16.457 -1.130 -3.398
81 HB3 ASP 11 HB1 ASP 11 -17.755 -1.298 -4.568
82 H ASP 12 HN ASP 12 -16.242 1.335 -7.221
83 HA ASP 12 HA ASP 12 -17.231 -0.547 -9.181
84 HB2 ASP 12 HB2 ASP 12 -18.113 1.791 -9.015
85 HB3 ASP 12 HB1 ASP 12 -16.546 2.372 -9.576
86 H ASP 13 HN ASP 13 -14.304 1.326 -8.585
87 HA ASP 13 HA ASP 13 -12.907 0.270 -10.867
88 HB2 ASP 13 HB2 ASP 13 -12.108 1.879 -8.464
89 HB3 ASP 13 HB1 ASP 13 -10.864 1.098 -9.432
90 H LYS 14 HN LYS 14 -13.662 -1.956 -10.295
91 HA LYS 14 HA LYS 14 -12.172 -3.203 -8.099
92 HB2 LYS 14 HB2 LYS 14 -14.613 -3.528 -8.179
93 HB3 LYS 14 HB1 LYS 14 -14.460 -4.257 -9.770
94 HG2 LYS 14 HG2 LYS 14 -12.852 -5.906 -8.540
95 HG3 LYS 14 HG1 LYS 14 -13.717 -5.350 -7.107
96 HD2 LYS 14 HD2 LYS 14 -14.921 -6.596 -9.574
97 HD3 LYS 14 HD1 LYS 14 -14.769 -7.348 -7.981
98 HE2 LYS 14 HE2 LYS 14 -16.419 -4.901 -8.633
99 HE3 LYS 14 HE1 LYS 14 -17.047 -6.527 -8.378
100 HZ1 LYS 14 HZ1 LYS 14 -17.277 -5.142 -6.402
101 HZ2 LYS 14 HZ2 LYS 14 -15.609 -4.904 -6.344
102 HZ3 LYS 14 HZ3 LYS 14 -16.252 -6.452 -6.106
103 H MET 15 HN MET 15 -13.290 -4.433 -11.223
104 HA MET 15 HA MET 15 -12.389 -5.871 -12.710
105 HB2 MET 15 HB2 MET 15 -9.882 -4.276 -12.151
106 HB3 MET 15 HB1 MET 15 -10.132 -5.323 -13.539
107 HG2 MET 15 HG2 MET 15 -11.977 -3.881 -14.270
108 HG3 MET 15 HG1 MET 15 -11.665 -2.819 -12.899
109 HE1 MET 15 HE1 MET 15 -8.072 -1.472 -13.725
110 HE2 MET 15 HE2 MET 15 -8.426 -2.930 -12.799
111 HE3 MET 15 HE3 MET 15 -9.399 -1.477 -12.562
112 H GLY 16 HN GLY 16 -12.694 -7.605 -11.157
113 HA2 GLY 16 HA2 GLY 16 -11.583 -9.710 -10.818
114 HA3 GLY 16 HA1 GLY 16 -10.104 -8.825 -10.479
115 H GLY 17 HN GLY 17 -9.676 -8.161 -8.431
116 HA2 GLY 17 HA2 GLY 17 -11.304 -9.388 -6.376
117 HA3 GLY 17 HA1 GLY 17 -9.738 -8.631 -6.152
118 HA PRO 18 HA PRO 18 -13.670 -5.802 -5.227
119 HB2 PRO 18 HB2 PRO 18 -13.853 -6.476 -2.532
120 HB3 PRO 18 HB1 PRO 18 -14.957 -7.012 -3.800
121 HG2 PRO 18 HG2 PRO 18 -12.640 -8.436 -2.575
122 HG3 PRO 18 HG1 PRO 18 -14.210 -9.079 -3.092
123 HD2 PRO 18 HD2 PRO 18 -12.007 -9.447 -4.561
124 HD3 PRO 18 HD1 PRO 18 -13.584 -9.149 -5.327
125 H THR 19 HN THR 19 -13.347 -3.842 -4.218
126 HA THR 19 HA THR 19 -10.658 -3.088 -3.811
127 HB THR 19 HB THR 19 -11.623 -0.908 -3.059
128 HG1 THR 19 HG1 THR 19 -14.146 -2.062 -3.702
129 HG21 THR 19 HG21 THR 19 -12.676 -0.354 -5.220
130 HG22 THR 19 HG22 THR 19 -12.754 -2.074 -5.602
131 HG23 THR 19 HG23 THR 19 -11.190 -1.281 -5.415
132 H VAL 20 HN VAL 20 -9.481 -2.707 -2.044
133 HA VAL 20 HA VAL 20 -10.570 -3.592 0.515
134 HB VAL 20 HB VAL 20 -7.756 -3.090 -0.350
135 HG11 VAL 20 HG11 VAL 20 -7.077 -4.013 1.820
136 HG12 VAL 20 HG12 VAL 20 -8.772 -4.066 2.305
137 HG13 VAL 20 HG13 VAL 20 -7.993 -2.515 1.994
138 HG21 VAL 20 HG21 VAL 20 -8.690 -5.115 -1.299
139 HG22 VAL 20 HG22 VAL 20 -9.201 -5.644 0.306
140 HG23 VAL 20 HG23 VAL 20 -7.484 -5.514 -0.076
141 H LEU 21 HN LEU 21 -11.277 -2.082 1.886
142 HA LEU 21 HA LEU 21 -10.725 0.685 1.507
143 HB2 LEU 21 HB2 LEU 21 -12.818 0.043 2.528
144 HB3 LEU 21 HB1 LEU 21 -11.982 -0.813 3.809
145 HG LEU 21 HG LEU 21 -11.034 1.379 4.564
146 HD11 LEU 21 HD11 LEU 21 -13.029 2.512 2.616
147 HD12 LEU 21 HD12 LEU 21 -11.273 2.606 2.478
148 HD13 LEU 21 HD13 LEU 21 -12.099 3.426 3.802
149 HD21 LEU 21 HD21 LEU 21 -12.918 0.396 5.704
150 HD22 LEU 21 HD22 LEU 21 -14.030 1.104 4.531
151 HD23 LEU 21 HD23 LEU 21 -13.111 2.147 5.617
152 H VAL 22 HN VAL 22 -8.573 0.998 1.569
153 HA VAL 22 HA VAL 22 -6.864 -0.085 3.547
154 HB VAL 22 HB VAL 22 -6.405 2.303 1.756
155 HG11 VAL 22 HG11 VAL 22 -4.070 1.990 2.185
156 HG12 VAL 22 HG12 VAL 22 -4.384 0.524 3.114
157 HG13 VAL 22 HG13 VAL 22 -4.895 2.091 3.743
158 HG21 VAL 22 HG21 VAL 22 -5.210 0.721 0.316
159 HG22 VAL 22 HG22 VAL 22 -6.921 0.320 0.466
160 HG23 VAL 22 HG23 VAL 22 -5.717 -0.602 1.364
161 H LYS 23 HN LYS 23 -6.982 0.422 5.591
162 HA LYS 23 HA LYS 23 -7.712 3.115 6.438
163 HB2 LYS 23 HB2 LYS 23 -7.087 0.647 8.074
164 HB3 LYS 23 HB1 LYS 23 -7.728 2.160 8.699
165 HG2 LYS 23 HG2 LYS 23 -9.789 1.841 7.511
166 HG3 LYS 23 HG1 LYS 23 -9.143 0.413 6.698
167 HD2 LYS 23 HD2 LYS 23 -8.909 -0.692 8.884
168 HD3 LYS 23 HD1 LYS 23 -9.626 0.720 9.660
169 HE2 LYS 23 HE2 LYS 23 -11.688 0.378 8.424
170 HE3 LYS 23 HE1 LYS 23 -10.972 -0.991 7.573
171 HZ1 LYS 23 HZ1 LYS 23 -12.379 -1.701 9.420
172 HZ2 LYS 23 HZ2 LYS 23 -11.412 -0.845 10.507
173 HZ3 LYS 23 HZ3 LYS 23 -10.770 -2.162 9.666
174 H ARG 24 HN ARG 24 -5.016 0.922 6.247
175 HA ARG 24 HA ARG 24 -3.121 3.037 6.578
176 HB2 ARG 24 HB2 ARG 24 -2.006 2.193 8.569
177 HB3 ARG 24 HB1 ARG 24 -3.685 2.545 8.955
178 HG2 ARG 24 HG2 ARG 24 -4.250 0.209 8.863
179 HG3 ARG 24 HG1 ARG 24 -2.626 -0.200 8.313
180 HD2 ARG 24 HD2 ARG 24 -2.771 -0.704 10.644
181 HD3 ARG 24 HD1 ARG 24 -1.745 0.714 10.454
182 HE ARG 24 HE ARG 24 -4.286 1.684 10.905
183 HH11 ARG 24 HH11 ARG 24 -1.974 -0.310 12.616
184 HH12 ARG 24 HH12 ARG 24 -2.568 0.122 14.185
185 HH21 ARG 24 HH21 ARG 24 -5.075 2.250 12.972
186 HH22 ARG 24 HH22 ARG 24 -4.341 1.566 14.387
187 H PHE 25 HN PHE 25 -0.943 2.321 6.187
188 HA PHE 25 HA PHE 25 -0.818 -0.259 4.772
189 HB2 PHE 25 HB2 PHE 25 0.927 2.210 4.574
190 HB3 PHE 25 HB1 PHE 25 1.285 0.692 3.759
191 HD1 PHE 25 HD1 PHE 25 -1.377 3.264 4.075
192 HD2 PHE 25 HD2 PHE 25 0.473 0.327 1.623
193 HE1 PHE 25 HE1 PHE 25 -2.783 3.956 2.194
194 HE2 PHE 25 HE2 PHE 25 -0.930 1.015 -0.268
195 HZ PHE 25 HZ PHE 25 -2.564 2.836 0.010
196 H GLN 26 HN GLN 26 0.688 -1.767 5.315
197 HA GLN 26 HA GLN 26 2.385 -1.192 7.659
198 HB2 GLN 26 HB2 GLN 26 0.397 -2.726 8.063
199 HB3 GLN 26 HB1 GLN 26 1.160 -3.874 6.974
200 HG2 GLN 26 HG2 GLN 26 1.753 -4.584 9.114
201 HG3 GLN 26 HG1 GLN 26 3.180 -3.744 8.508
202 HE21 GLN 26 HE21 GLN 26 3.955 -3.276 10.556
203 HE22 GLN 26 HE22 GLN 26 3.209 -2.111 11.591
204 H LEU 27 HN LEU 27 4.533 -1.569 7.333
205 HA LEU 27 HA LEU 27 5.253 -2.837 4.778
206 HB2 LEU 27 HB2 LEU 27 6.684 -0.846 6.522
207 HB3 LEU 27 HB1 LEU 27 7.523 -1.748 5.277
208 HG LEU 27 HG LEU 27 6.958 0.469 4.487
209 HD11 LEU 27 HD11 LEU 27 7.036 -1.174 2.793
210 HD12 LEU 27 HD12 LEU 27 5.620 -0.173 2.472
211 HD13 LEU 27 HD13 LEU 27 5.427 -1.764 3.199
212 HD21 LEU 27 HD21 LEU 27 4.656 1.185 4.171
213 HD22 LEU 27 HD22 LEU 27 5.001 0.901 5.877
214 HD23 LEU 27 HD23 LEU 27 4.080 -0.285 4.954
215 H SER 28 HN SER 28 6.445 -4.622 4.699
216 HA SER 28 HA SER 28 7.516 -5.670 7.233
217 HB2 SER 28 HB2 SER 28 5.364 -6.767 6.588
218 HB3 SER 28 HB1 SER 28 6.120 -7.287 5.085
219 HG SER 28 HG SER 28 6.397 -8.263 7.648
220 H GLY 29 HN GLY 29 9.624 -6.170 7.111
221 HA2 GLY 29 HA2 GLY 29 11.452 -7.319 6.075
222 HA3 GLY 29 HA1 GLY 29 10.720 -7.000 4.509
223 H ASN 30 HN ASN 30 10.237 -4.178 5.718
224 HA ASN 30 HA ASN 30 12.508 -2.977 4.478
225 HB2 ASN 30 HB2 ASN 30 11.485 -0.832 5.255
226 HB3 ASN 30 HB1 ASN 30 10.390 -1.839 4.320
227 HD21 ASN 30 HD21 ASN 30 10.011 0.286 6.395
228 HD22 ASN 30 HD22 ASN 30 8.927 -0.424 7.544
229 H ARG 31 HN ARG 31 14.306 -2.124 5.357
230 HA ARG 31 HA ARG 31 14.469 -2.032 8.301
231 HB2 ARG 31 HB2 ARG 31 15.634 -4.034 7.466
232 HB3 ARG 31 HB1 ARG 31 16.626 -3.023 6.427
233 HG2 ARG 31 HG2 ARG 31 17.806 -3.735 8.453
234 HG3 ARG 31 HG1 ARG 31 17.646 -1.981 8.353
235 HD2 ARG 31 HD2 ARG 31 17.208 -2.885 10.619
236 HD3 ARG 31 HD1 ARG 31 15.843 -2.000 9.940
237 HE ARG 31 HE ARG 31 15.800 -4.879 9.560
238 HH11 ARG 31 HH11 ARG 31 14.787 -2.154 11.506
239 HH12 ARG 31 HH12 ARG 31 13.440 -2.987 12.215
240 HH21 ARG 31 HH21 ARG 31 14.020 -5.988 10.493
241 HH22 ARG 31 HH22 ARG 31 13.003 -5.169 11.634
242 H GLN 32 HN GLN 32 15.676 -0.847 5.203
243 HA GLN 32 HA GLN 32 17.356 1.167 6.293
244 HB2 GLN 32 HB2 GLN 32 17.551 0.270 3.983
245 HB3 GLN 32 HB1 GLN 32 16.042 1.068 3.574
246 HG2 GLN 32 HG2 GLN 32 17.960 2.336 2.797
247 HG3 GLN 32 HG1 GLN 32 17.043 3.232 4.005
248 HE21 GLN 32 HE21 GLN 32 17.943 3.601 6.024
249 HE22 GLN 32 HE22 GLN 32 19.629 3.372 6.342
250 H PHE 33 HN PHE 33 14.006 1.117 5.203
251 HA PHE 33 HA PHE 33 13.639 3.754 6.448
252 HB2 PHE 33 HB2 PHE 33 12.257 2.751 3.949
253 HB3 PHE 33 HB1 PHE 33 11.980 4.301 4.733
254 HD1 PHE 33 HD2 PHE 33 13.834 5.990 4.785
255 HD2 PHE 33 HD1 PHE 33 14.024 2.457 2.421
256 HE1 PHE 33 HE2 PHE 33 15.609 7.002 3.420
257 HE2 PHE 33 HE1 PHE 33 15.799 3.464 1.051
258 HZ PHE 33 HZ PHE 33 16.596 5.739 1.550
259 H ASP 34 HN ASP 34 11.950 3.926 7.804
260 HA ASP 34 HA ASP 34 10.749 1.475 8.705
261 HB2 ASP 34 HB2 ASP 34 9.812 2.869 10.500
262 HB3 ASP 34 HB1 ASP 34 11.540 3.150 10.309
263 H ASP 35 HN ASP 35 8.331 1.735 9.455
264 HA ASP 35 HA ASP 35 6.740 1.569 7.174
265 HB2 ASP 35 HB2 ASP 35 5.870 2.128 10.014
266 HB3 ASP 35 HB1 ASP 35 4.794 1.645 8.712
267 H ARG 36 HN ARG 36 6.822 4.182 9.591
268 HA ARG 36 HA ARG 36 4.877 5.779 8.389
269 HB2 ARG 36 HB2 ARG 36 7.148 6.500 10.221
270 HB3 ARG 36 HB1 ARG 36 5.883 7.630 9.746
271 HG2 ARG 36 HG2 ARG 36 4.199 6.272 10.773
272 HG3 ARG 36 HG1 ARG 36 5.372 4.997 11.109
273 HD2 ARG 36 HD2 ARG 36 4.957 6.255 13.113
274 HD3 ARG 36 HD1 ARG 36 6.599 6.552 12.555
275 HE ARG 36 HE ARG 36 4.585 8.485 11.746
276 HH11 ARG 36 HH11 ARG 36 7.169 7.639 13.951
277 HH12 ARG 36 HH12 ARG 36 7.416 9.269 14.488
278 HH21 ARG 36 HH21 ARG 36 4.905 10.635 12.456
279 HH22 ARG 36 HH22 ARG 36 6.139 10.979 13.627
280 H ARG 37 HN ARG 37 8.343 5.614 7.874
281 HA ARG 37 HA ARG 37 8.635 7.875 6.231
282 HB2 ARG 37 HB2 ARG 37 10.515 6.575 7.196
283 HB3 ARG 37 HB1 ARG 37 10.148 5.260 6.090
284 HG2 ARG 37 HG2 ARG 37 11.979 6.463 5.185
285 HG3 ARG 37 HG1 ARG 37 10.567 6.843 4.200
286 HD2 ARG 37 HD2 ARG 37 10.287 8.951 5.365
287 HD3 ARG 37 HD1 ARG 37 11.631 8.565 6.437
288 HE ARG 37 HE ARG 37 11.805 9.329 3.612
289 HH11 ARG 37 HH11 ARG 37 13.425 8.412 6.583
290 HH12 ARG 37 HH12 ARG 37 14.965 9.037 6.086
291 HH21 ARG 37 HH21 ARG 37 13.840 10.165 2.965
292 HH22 ARG 37 HH22 ARG 37 15.201 10.026 4.034
293 H LEU 38 HN LEU 38 7.876 4.500 5.445
294 HA LEU 38 HA LEU 38 7.730 5.034 2.628
295 HB2 LEU 38 HB2 LEU 38 7.231 2.648 4.355
296 HB3 LEU 38 HB1 LEU 38 6.667 2.642 2.700
297 HG LEU 38 HG LEU 38 8.682 2.046 1.968
298 HD11 LEU 38 HD11 LEU 38 9.385 4.329 1.822
299 HD12 LEU 38 HD12 LEU 38 10.730 3.358 2.421
300 HD13 LEU 38 HD13 LEU 38 9.798 4.358 3.536
301 HD21 LEU 38 HD21 LEU 38 9.430 2.074 4.880
302 HD22 LEU 38 HD22 LEU 38 10.403 1.355 3.599
303 HD23 LEU 38 HD23 LEU 38 8.800 0.714 3.951
304 H LEU 39 HN LEU 39 5.506 4.939 5.279
305 HA LEU 39 HA LEU 39 3.057 4.675 3.977
306 HB2 LEU 39 HB2 LEU 39 4.020 5.804 6.518
307 HB3 LEU 39 HB1 LEU 39 2.492 6.450 5.963
308 HG LEU 39 HG LEU 39 1.398 4.395 6.178
309 HD11 LEU 39 HD11 LEU 39 2.990 2.994 4.989
310 HD12 LEU 39 HD12 LEU 39 2.543 2.258 6.528
311 HD13 LEU 39 HD13 LEU 39 4.098 3.070 6.358
312 HD21 LEU 39 HD21 LEU 39 1.776 3.739 8.432
313 HD22 LEU 39 HD22 LEU 39 2.116 5.467 8.324
314 HD23 LEU 39 HD23 LEU 39 3.445 4.305 8.378
315 H ALA 40 HN ALA 40 5.128 7.471 4.350
316 HA ALA 40 HA ALA 40 3.361 9.457 3.458
317 HB1 ALA 40 HB1 ALA 40 5.508 9.940 4.533
318 HB2 ALA 40 HB2 ALA 40 5.351 10.786 2.993
319 HB3 ALA 40 HB3 ALA 40 6.357 9.342 3.107
320 H LEU 41 HN LEU 41 5.097 7.025 1.677
321 HA LEU 41 HA LEU 41 4.874 8.240 -0.890
322 HB2 LEU 41 HB2 LEU 41 5.283 5.405 0.033
323 HB3 LEU 41 HB1 LEU 41 5.145 5.814 -1.667
324 HG LEU 41 HG LEU 41 7.144 7.379 -0.154
325 HD11 LEU 41 HD11 LEU 41 7.686 4.507 -0.858
326 HD12 LEU 41 HD12 LEU 41 7.336 5.057 0.775
327 HD13 LEU 41 HD13 LEU 41 8.772 5.644 -0.064
328 HD21 LEU 41 HD21 LEU 41 7.244 5.869 -2.762
329 HD22 LEU 41 HD22 LEU 41 8.394 7.083 -2.195
330 HD23 LEU 41 HD23 LEU 41 6.742 7.553 -2.591
331 H LEU 42 HN LEU 42 2.739 6.429 1.143
332 HA LEU 42 HA LEU 42 0.785 6.176 -1.043
333 HB2 LEU 42 HB2 LEU 42 0.767 4.826 1.659
334 HB3 LEU 42 HB1 LEU 42 -0.363 4.541 0.354
335 HG LEU 42 HG LEU 42 0.935 2.735 0.021
336 HD11 LEU 42 HD11 LEU 42 2.672 4.802 -1.301
337 HD12 LEU 42 HD12 LEU 42 1.252 4.021 -1.999
338 HD13 LEU 42 HD13 LEU 42 2.692 3.069 -1.634
339 HD21 LEU 42 HD21 LEU 42 3.303 4.216 1.136
340 HD22 LEU 42 HD22 LEU 42 3.254 2.511 0.687
341 HD23 LEU 42 HD23 LEU 42 2.259 3.098 2.017
342 H HIS 43 HN HIS 43 1.541 8.466 0.858
343 HA HIS 43 HA HIS 43 -0.255 8.933 2.858
344 HB2 HIS 43 HB2 HIS 43 0.384 11.219 2.779
345 HB3 HIS 43 HB1 HIS 43 1.771 10.296 2.233
346 HD1 HIS 43 HD1 HIS 43 -0.488 13.002 1.219
347 HD2 HIS 43 HD2 HIS 43 2.198 10.426 -0.633
348 HE1 HIS 43 HE1 HIS 43 -0.027 14.009 -1.038
349 HE2 HIS 43 HE2 HIS 43 1.711 12.509 -2.076
350 H ASP 44 HN ASP 44 -0.989 9.117 -0.546
351 HA ASP 44 HA ASP 44 -3.420 10.666 0.034
352 HB2 ASP 44 HB2 ASP 44 -3.483 11.254 -2.300
353 HB3 ASP 44 HB1 ASP 44 -1.857 11.554 -1.698
354 H LEU 45 HN LEU 45 -2.704 7.558 0.032
355 HA LEU 45 HA LEU 45 -4.721 6.667 -1.878
356 HB2 LEU 45 HB2 LEU 45 -2.717 5.094 -0.279
357 HB3 LEU 45 HB1 LEU 45 -3.856 4.396 -1.411
358 HG LEU 45 HG LEU 45 -1.610 6.298 -2.080
359 HD11 LEU 45 HD11 LEU 45 -2.032 3.396 -2.771
360 HD12 LEU 45 HD12 LEU 45 -0.919 4.002 -1.545
361 HD13 LEU 45 HD13 LEU 45 -0.661 4.399 -3.245
362 HD21 LEU 45 HD21 LEU 45 -3.509 6.731 -3.522
363 HD22 LEU 45 HD22 LEU 45 -3.678 5.008 -3.857
364 HD23 LEU 45 HD23 LEU 45 -2.254 5.881 -4.422
365 HA PRO 46 HA PRO 46 -6.304 4.353 1.925
366 HB2 PRO 46 HB2 PRO 46 -5.586 4.986 4.424
367 HB3 PRO 46 HB1 PRO 46 -4.598 3.946 3.404
368 HG2 PRO 46 HG2 PRO 46 -4.236 6.832 4.054
369 HG3 PRO 46 HG1 PRO 46 -3.024 5.545 3.905
370 HD2 PRO 46 HD2 PRO 46 -3.598 7.388 1.933
371 HD3 PRO 46 HD1 PRO 46 -2.865 5.803 1.643
372 H GLY 47 HN GLY 47 -8.091 4.660 3.382
373 HA2 GLY 47 HA2 GLY 47 -9.837 6.034 4.231
374 HA3 GLY 47 HA1 GLY 47 -9.113 7.418 3.410
375 H GLN 48 HN GLN 48 -8.788 5.163 1.234
376 HA GLN 48 HA GLN 48 -11.479 5.408 0.068
377 HB2 GLN 48 HB2 GLN 48 -8.812 5.294 -1.362
378 HB3 GLN 48 HB1 GLN 48 -10.384 5.343 -2.145
379 HG2 GLN 48 HG2 GLN 48 -10.787 7.560 -1.236
380 HG3 GLN 48 HG1 GLN 48 -9.234 7.510 -0.402
381 HE21 GLN 48 HE21 GLN 48 -8.498 9.336 -1.492
382 HE22 GLN 48 HE22 GLN 48 -8.041 9.292 -3.161
383 H GLU 49 HN GLU 49 -11.836 3.595 -1.594
384 HA GLU 49 HA GLU 49 -10.818 1.099 -0.450
385 HB2 GLU 49 HB2 GLU 49 -13.160 1.585 -2.312
386 HB3 GLU 49 HB1 GLU 49 -12.681 0.017 -1.681
387 HG2 GLU 49 HG2 GLU 49 -13.134 0.783 0.589
388 HG3 GLU 49 HG1 GLU 49 -13.604 2.362 -0.037
389 H LEU 50 HN LEU 50 -9.059 0.397 -1.385
390 HA LEU 50 HA LEU 50 -8.552 1.035 -4.208
391 HB2 LEU 50 HB2 LEU 50 -6.740 0.240 -1.936
392 HB3 LEU 50 HB1 LEU 50 -6.190 0.340 -3.598
393 HG LEU 50 HG LEU 50 -5.488 2.343 -2.627
394 HD11 LEU 50 HD11 LEU 50 -8.127 3.007 -3.909
395 HD12 LEU 50 HD12 LEU 50 -6.614 2.704 -4.761
396 HD13 LEU 50 HD13 LEU 50 -6.761 4.101 -3.695
397 HD21 LEU 50 HD21 LEU 50 -6.948 3.809 -1.281
398 HD22 LEU 50 HD22 LEU 50 -6.671 2.234 -0.538
399 HD23 LEU 50 HD23 LEU 50 -8.204 2.570 -1.345
400 H ASN 51 HN ASN 51 -8.800 -0.533 -5.668
401 HA ASN 51 HA ASN 51 -9.259 -3.247 -4.927
402 HB2 ASN 51 HB2 ASN 51 -9.471 -3.709 -7.280
403 HB3 ASN 51 HB1 ASN 51 -10.280 -2.186 -6.940
404 HD21 ASN 51 HD21 ASN 51 -9.262 -3.203 -9.440
405 HD22 ASN 51 HD22 ASN 51 -8.108 -2.043 -10.011
406 H LEU 52 HN LEU 52 -8.026 -5.061 -6.000
407 HA LEU 52 HA LEU 52 -5.526 -5.279 -4.899
408 HB2 LEU 52 HB2 LEU 52 -6.925 -6.721 -7.092
409 HB3 LEU 52 HB1 LEU 52 -5.220 -7.041 -6.859
410 HG LEU 52 HG LEU 52 -6.635 -8.691 -5.725
411 HD11 LEU 52 HD11 LEU 52 -5.130 -6.925 -3.809
412 HD12 LEU 52 HD12 LEU 52 -4.414 -8.149 -4.854
413 HD13 LEU 52 HD13 LEU 52 -5.530 -8.625 -3.572
414 HD21 LEU 52 HD21 LEU 52 -7.973 -8.087 -3.796
415 HD22 LEU 52 HD22 LEU 52 -8.545 -7.223 -5.223
416 HD23 LEU 52 HD23 LEU 52 -7.567 -6.386 -4.019
417 H SER 53 HN SER 53 -6.292 -4.391 -8.234
418 HA SER 53 HA SER 53 -3.787 -4.168 -9.327
419 HB2 SER 53 HB2 SER 53 -6.060 -2.228 -9.794
420 HB3 SER 53 HB1 SER 53 -4.780 -2.661 -10.926
421 HG SER 53 HG SER 53 -5.681 -4.609 -11.243
422 H GLN 54 HN GLN 54 -5.585 -1.608 -7.629
423 HA GLN 54 HA GLN 54 -3.426 0.252 -7.761
424 HB2 GLN 54 HB2 GLN 54 -6.106 0.178 -6.449
425 HB3 GLN 54 HB1 GLN 54 -4.953 1.413 -5.962
426 HG2 GLN 54 HG2 GLN 54 -4.838 2.275 -8.192
427 HG3 GLN 54 HG1 GLN 54 -5.795 0.931 -8.810
428 HE21 GLN 54 HE21 GLN 54 -7.666 0.936 -6.632
429 HE22 GLN 54 HE22 GLN 54 -8.672 2.328 -6.833
430 H LEU 55 HN LEU 55 -4.333 -2.243 -5.547
431 HA LEU 55 HA LEU 55 -3.017 -1.271 -3.249
432 HB2 LEU 55 HB2 LEU 55 -3.601 -4.107 -4.096
433 HB3 LEU 55 HB1 LEU 55 -3.018 -3.652 -2.510
434 HG LEU 55 HG LEU 55 -5.665 -2.854 -3.720
435 HD11 LEU 55 HD11 LEU 55 -5.532 -5.203 -3.023
436 HD12 LEU 55 HD12 LEU 55 -6.630 -4.273 -2.009
437 HD13 LEU 55 HD13 LEU 55 -5.022 -4.689 -1.418
438 HD21 LEU 55 HD21 LEU 55 -4.795 -1.091 -2.289
439 HD22 LEU 55 HD22 LEU 55 -4.516 -2.258 -0.998
440 HD23 LEU 55 HD23 LEU 55 -6.162 -1.904 -1.528
441 H HIS 56 HN HIS 56 -1.898 -3.604 -5.733
442 HA HIS 56 HA HIS 56 0.726 -3.654 -4.579
443 HB2 HIS 56 HB2 HIS 56 1.401 -4.973 -6.547
444 HB3 HIS 56 HB1 HIS 56 -0.008 -5.629 -5.738
445 HD1 HIS 56 HD1 HIS 56 0.963 -3.770 -8.887
446 HD2 HIS 56 HD2 HIS 56 -2.204 -5.964 -7.323
447 HE1 HIS 56 HE1 HIS 56 -0.601 -4.167 -10.813
448 HE2 HIS 56 HE2 HIS 56 -2.392 -5.677 -9.886
449 H ALA 57 HN ALA 57 -0.849 -1.702 -6.938
450 HA ALA 57 HA ALA 57 1.396 -0.603 -8.226
451 HB1 ALA 57 HB1 ALA 57 -0.047 1.275 -8.788
452 HB2 ALA 57 HB2 ALA 57 -1.225 0.745 -7.588
453 HB3 ALA 57 HB3 ALA 57 -0.901 -0.253 -9.005
454 H ALA 58 HN ALA 58 -0.126 0.086 -5.147
455 HA ALA 58 HA ALA 58 1.239 2.444 -4.459
456 HB1 ALA 58 HB1 ALA 58 0.653 1.876 -2.157
457 HB2 ALA 58 HB2 ALA 58 0.242 0.236 -2.655
458 HB3 ALA 58 HB3 ALA 58 -0.711 1.600 -3.240
459 H ALA 59 HN ALA 59 2.139 -0.939 -4.261
460 HA ALA 59 HA ALA 59 4.413 -0.604 -2.603
461 HB1 ALA 59 HB1 ALA 59 3.300 -2.760 -2.886
462 HB2 ALA 59 HB2 ALA 59 5.010 -2.864 -3.303
463 HB3 ALA 59 HB3 ALA 59 3.794 -2.797 -4.578
464 H ALA 60 HN ALA 60 3.855 -0.324 -6.031
465 HA ALA 60 HA ALA 60 6.534 -0.422 -6.903
466 HB1 ALA 60 HB1 ALA 60 4.622 -0.664 -8.420
467 HB2 ALA 60 HB2 ALA 60 5.724 0.605 -8.953
468 HB3 ALA 60 HB3 ALA 60 4.208 1.032 -8.159
469 H ARG 61 HN ARG 61 4.587 2.106 -5.502
470 HA ARG 61 HA ARG 61 6.212 4.329 -6.110
471 HB2 ARG 61 HB2 ARG 61 4.461 3.797 -3.699
472 HB3 ARG 61 HB1 ARG 61 5.170 5.357 -4.090
473 HG2 ARG 61 HG2 ARG 61 3.877 5.494 -6.114
474 HG3 ARG 61 HG1 ARG 61 3.248 3.866 -5.858
475 HD2 ARG 61 HD2 ARG 61 2.093 4.562 -3.876
476 HD3 ARG 61 HD1 ARG 61 2.836 6.153 -3.946
477 HE ARG 61 HE ARG 61 1.201 5.373 -6.224
478 HH11 ARG 61 HH11 ARG 61 1.440 7.169 -3.217
479 HH12 ARG 61 HH12 ARG 61 0.037 8.153 -3.540
480 HH21 ARG 61 HH21 ARG 61 -0.629 6.674 -6.659
481 HH22 ARG 61 HH22 ARG 61 -1.135 7.862 -5.503
482 H ILE 62 HN ILE 62 6.301 1.927 -3.561
483 HA ILE 62 HA ILE 62 8.390 3.245 -2.092
484 HB ILE 62 HB ILE 62 7.226 0.476 -1.811
485 HG12 ILE 62 HG12 ILE 62 6.717 2.990 -0.216
486 HG13 ILE 62 HG11 ILE 62 5.634 2.337 -1.439
487 HG21 ILE 62 HG21 ILE 62 8.244 0.511 0.444
488 HG22 ILE 62 HG22 ILE 62 9.069 2.011 0.013
489 HG23 ILE 62 HG23 ILE 62 9.438 0.522 -0.857
490 HD11 ILE 62 HD11 ILE 62 4.990 1.826 0.890
491 HD12 ILE 62 HD12 ILE 62 6.463 0.868 1.037
492 HD13 ILE 62 HD13 ILE 62 5.218 0.402 -0.122
493 H GLY 63 HN GLY 63 8.120 0.529 -4.326
494 HA2 GLY 63 HA2 GLY 63 10.778 -0.370 -4.211
495 HA3 GLY 63 HA1 GLY 63 9.725 -0.498 -5.615
496 H ASP 64 HN ASP 64 9.268 2.079 -6.280
497 HA ASP 64 HA ASP 64 11.610 2.899 -7.616
498 HB2 ASP 64 HB2 ASP 64 9.444 3.486 -8.493
499 HB3 ASP 64 HB1 ASP 64 9.013 4.336 -7.017
500 H PHE 65 HN PHE 65 10.103 3.937 -4.606
501 HA PHE 65 HA PHE 65 11.614 6.158 -3.963
502 HB2 PHE 65 HB2 PHE 65 9.703 5.389 -2.626
503 HB3 PHE 65 HB1 PHE 65 10.619 3.980 -2.104
504 HD1 PHE 65 HD1 PHE 65 10.358 7.640 -1.855
505 HD2 PHE 65 HD2 PHE 65 12.180 4.119 -0.324
506 HE1 PHE 65 HE1 PHE 65 11.204 8.920 0.064
507 HE2 PHE 65 HE2 PHE 65 13.032 5.392 1.599
508 HZ PHE 65 HZ PHE 65 12.546 7.797 1.793
509 H TYR 66 HN TYR 66 12.293 2.779 -3.107
510 HA TYR 66 HA TYR 66 14.795 3.202 -1.923
511 HB2 TYR 66 HB2 TYR 66 13.360 0.873 -3.089
512 HB3 TYR 66 HB1 TYR 66 15.092 0.709 -2.839
513 HD1 TYR 66 HD2 TYR 66 12.055 1.856 -0.961
514 HD2 TYR 66 HD1 TYR 66 15.811 -0.134 -0.845
515 HE1 TYR 66 HE2 TYR 66 11.675 1.285 1.401
516 HE2 TYR 66 HE1 TYR 66 15.445 -0.710 1.507
517 HH TYR 66 HH TYR 66 14.149 -0.449 3.288
518 H GLN 67 HN GLN 67 13.904 2.600 -5.293
519 HA GLN 67 HA GLN 67 16.495 2.203 -6.292
520 HB2 GLN 67 HB2 GLN 67 14.099 3.350 -7.732
521 HB3 GLN 67 HB1 GLN 67 15.549 2.718 -8.499
522 HG2 GLN 67 HG2 GLN 67 15.042 0.519 -7.416
523 HG3 GLN 67 HG1 GLN 67 13.499 1.199 -6.917
524 HE21 GLN 67 HE21 GLN 67 14.073 -1.043 -8.685
525 HE22 GLN 67 HE22 GLN 67 13.313 -0.666 -10.193
526 H GLU 68 HN GLU 68 14.625 5.164 -5.794
527 HA GLU 68 HA GLU 68 16.513 6.880 -7.058
528 HB2 GLU 68 HB2 GLU 68 14.464 7.555 -4.943
529 HB3 GLU 68 HB1 GLU 68 15.314 8.711 -5.959
530 HG2 GLU 68 HG2 GLU 68 14.283 7.539 -7.937
531 HG3 GLU 68 HG1 GLU 68 13.263 6.682 -6.783
532 H LYS 69 HN LYS 69 16.394 5.323 -4.022
533 HA LYS 69 HA LYS 69 18.354 7.102 -2.808
534 HB2 LYS 69 HB2 LYS 69 17.145 4.539 -1.752
535 HB3 LYS 69 HB1 LYS 69 18.135 5.666 -0.837
536 HG2 LYS 69 HG2 LYS 69 15.430 6.271 -2.016
537 HG3 LYS 69 HG1 LYS 69 15.760 5.906 -0.323
538 HD2 LYS 69 HD2 LYS 69 17.172 7.892 -0.166
539 HD3 LYS 69 HD1 LYS 69 16.872 8.247 -1.868
540 HE2 LYS 69 HE2 LYS 69 14.490 8.501 -1.399
541 HE3 LYS 69 HE1 LYS 69 14.776 8.130 0.298
542 HZ1 LYS 69 HZ1 LYS 69 14.606 10.504 -0.051
543 HZ2 LYS 69 HZ2 LYS 69 15.866 10.466 -1.178
544 HZ3 LYS 69 HZ3 LYS 69 16.173 10.108 0.445
545 H GLY 70 HN GLY 70 18.553 4.898 -5.118
546 HA2 GLY 70 HA2 GLY 70 20.644 4.202 -6.000
547 HA3 GLY 70 HA1 GLY 70 21.305 4.209 -4.374
548 H TYR 71 HN TYR 71 18.495 2.771 -3.875
549 HA TYR 71 HA TYR 71 19.715 0.134 -3.976
550 HB2 TYR 71 HB2 TYR 71 17.049 0.947 -2.800
551 HB3 TYR 71 HB1 TYR 71 17.900 -0.569 -2.524
552 HD1 TYR 71 HD1 TYR 71 20.449 -0.122 -1.692
553 HD2 TYR 71 HD2 TYR 71 17.133 2.462 -1.091
554 HE1 TYR 71 HE1 TYR 71 21.598 0.891 0.227
555 HE2 TYR 71 HE2 TYR 71 18.267 3.487 0.827
556 HH TYR 71 HH TYR 71 20.127 2.703 2.517
557 H VAL 72 HN VAL 72 19.630 0.138 -6.323
558 HA VAL 72 HA VAL 72 17.148 0.221 -7.716
559 HB VAL 72 HB VAL 72 19.766 -0.931 -8.694
560 HG11 VAL 72 HG11 VAL 72 17.392 0.205 -10.170
561 HG12 VAL 72 HG12 VAL 72 17.881 -1.489 -10.114
562 HG13 VAL 72 HG13 VAL 72 18.909 -0.301 -10.914
563 HG21 VAL 72 HG21 VAL 72 20.234 1.296 -9.601
564 HG22 VAL 72 HG22 VAL 72 20.117 1.328 -7.840
565 HG23 VAL 72 HG23 VAL 72 18.778 1.919 -8.824
566 H LEU 73 HN LEU 73 19.035 -2.295 -6.223
567 HA LEU 73 HA LEU 73 17.578 -4.444 -7.498
568 HB2 LEU 73 HB2 LEU 73 19.762 -4.272 -5.479
569 HB3 LEU 73 HB1 LEU 73 18.807 -5.738 -5.544
570 HG LEU 73 HG LEU 73 19.449 -6.072 -7.883
571 HD11 LEU 73 HD11 LEU 73 21.130 -3.599 -7.512
572 HD12 LEU 73 HD12 LEU 73 19.718 -3.750 -8.558
573 HD13 LEU 73 HD13 LEU 73 21.177 -4.679 -8.904
574 HD21 LEU 73 HD21 LEU 73 21.814 -6.571 -7.489
575 HD22 LEU 73 HD22 LEU 73 20.802 -7.063 -6.132
576 HD23 LEU 73 HD23 LEU 73 21.770 -5.593 -6.023
577 H ALA 74 HN ALA 74 16.814 -2.290 -5.155
578 HA ALA 74 HA ALA 74 15.359 -4.147 -3.451
579 HB1 ALA 74 HB1 ALA 74 16.533 -2.351 -2.343
580 HB2 ALA 74 HB2 ALA 74 14.794 -2.134 -2.142
581 HB3 ALA 74 HB3 ALA 74 15.677 -1.155 -3.313
582 H ARG 75 HN ARG 75 13.208 -4.405 -3.471
583 HA ARG 75 HA ARG 75 11.527 -2.608 -5.010
584 HB2 ARG 75 HB2 ARG 75 12.353 -4.318 -6.633
585 HB3 ARG 75 HB1 ARG 75 11.627 -5.567 -5.631
586 HG2 ARG 75 HG2 ARG 75 10.140 -5.138 -7.427
587 HG3 ARG 75 HG1 ARG 75 9.422 -4.440 -5.972
588 HD2 ARG 75 HD2 ARG 75 10.322 -2.236 -6.635
589 HD3 ARG 75 HD1 ARG 75 10.922 -2.959 -8.126
590 HE ARG 75 HE ARG 75 8.100 -3.341 -7.665
591 HH11 ARG 75 HH11 ARG 75 10.548 -1.291 -9.106
592 HH12 ARG 75 HH12 ARG 75 9.441 -0.529 -10.201
593 HH21 ARG 75 HH21 ARG 75 6.648 -2.356 -9.112
594 HH22 ARG 75 HH22 ARG 75 7.223 -1.134 -10.207
595 H ALA 76 HN ALA 76 9.621 -2.365 -4.041
596 HA ALA 76 HA ALA 76 8.906 -4.211 -1.890
597 HB1 ALA 76 HB1 ALA 76 7.778 -1.493 -2.559
598 HB2 ALA 76 HB2 ALA 76 8.987 -1.832 -1.320
599 HB3 ALA 76 HB3 ALA 76 7.353 -2.475 -1.158
600 H PHE 77 HN PHE 77 7.069 -5.406 -1.933
601 HA PHE 77 HA PHE 77 5.213 -5.036 -4.172
602 HB2 PHE 77 HB2 PHE 77 5.177 -7.439 -4.634
603 HB3 PHE 77 HB1 PHE 77 6.803 -6.804 -4.845
604 HD1 PHE 77 HD1 PHE 77 8.564 -7.337 -3.222
605 HD2 PHE 77 HD2 PHE 77 4.669 -9.027 -2.928
606 HE1 PHE 77 HE1 PHE 77 9.426 -9.045 -1.676
607 HE2 PHE 77 HE2 PHE 77 5.521 -10.736 -1.380
608 HZ PHE 77 HZ PHE 77 7.906 -10.746 -0.753
609 H LEU 78 HN LEU 78 3.112 -6.006 -3.772
610 HA LEU 78 HA LEU 78 2.615 -6.279 -0.889
611 HB2 LEU 78 HB2 LEU 78 1.610 -4.326 -2.305
612 HB3 LEU 78 HB1 LEU 78 0.490 -5.547 -2.873
613 HG LEU 78 HG LEU 78 0.868 -4.849 0.043
614 HD11 LEU 78 HD11 LEU 78 -1.288 -3.663 -0.190
615 HD12 LEU 78 HD12 LEU 78 -1.182 -3.880 -1.936
616 HD13 LEU 78 HD13 LEU 78 0.023 -2.908 -1.093
617 HD21 LEU 78 HD21 LEU 78 -1.254 -6.016 0.337
618 HD22 LEU 78 HD22 LEU 78 -0.032 -7.085 -0.352
619 HD23 LEU 78 HD23 LEU 78 -1.288 -6.402 -1.384
620 HA PRO 79 HA PRO 79 1.789 -10.510 -2.184
621 HB2 PRO 79 HB2 PRO 79 1.315 -11.428 0.348
622 HB3 PRO 79 HB1 PRO 79 2.933 -11.225 -0.331
623 HG2 PRO 79 HG2 PRO 79 1.401 -9.400 1.482
624 HG3 PRO 79 HG1 PRO 79 3.109 -9.872 1.553
625 HD2 PRO 79 HD2 PRO 79 2.340 -7.507 0.540
626 HD3 PRO 79 HD1 PRO 79 3.715 -8.407 -0.135
627 H ALA 80 HN ALA 80 -0.147 -10.497 -3.215
628 HA ALA 80 HA ALA 80 -2.574 -9.705 -1.878
629 HB1 ALA 80 HB1 ALA 80 -2.202 -9.188 -4.247
630 HB2 ALA 80 HB2 ALA 80 -3.660 -10.149 -4.003
631 HB3 ALA 80 HB3 ALA 80 -2.193 -10.913 -4.614
632 H GLN 81 HN GLN 81 -1.991 -11.468 -0.236
633 HA GLN 81 HA GLN 81 -3.290 -13.991 -1.036
634 HB2 GLN 81 HB2 GLN 81 -1.237 -13.544 1.142
635 HB3 GLN 81 HB1 GLN 81 -1.988 -15.082 0.743
636 HG2 GLN 81 HG2 GLN 81 -0.946 -15.037 -1.454
637 HG3 GLN 81 HG1 GLN 81 -0.218 -13.475 -1.086
638 HE21 GLN 81 HE21 GLN 81 1.034 -16.022 -1.771
639 HE22 GLN 81 HE22 GLN 81 2.108 -16.388 -0.463
640 H GLU 82 HN GLU 82 -5.312 -12.918 -0.564
641 HA GLU 82 HA GLU 82 -7.121 -12.452 0.716
642 HB2 GLU 82 HB2 GLU 82 -5.593 -14.143 2.693
643 HB3 GLU 82 HB1 GLU 82 -7.222 -13.551 2.987
644 HG2 GLU 82 HG2 GLU 82 -6.367 -15.361 0.742
645 HG3 GLU 82 HG1 GLU 82 -7.262 -15.835 2.186
646 H ILE 83 HN ILE 83 -5.940 -10.294 0.487
647 HA ILE 83 HA ILE 83 -4.588 -9.123 2.651
648 HB ILE 83 HB ILE 83 -6.219 -7.769 0.515
649 HG12 ILE 83 HG12 ILE 83 -3.277 -8.459 0.636
650 HG13 ILE 83 HG11 ILE 83 -4.474 -9.214 -0.413
651 HG21 ILE 83 HG21 ILE 83 -5.773 -6.280 2.389
652 HG22 ILE 83 HG22 ILE 83 -4.816 -5.806 0.984
653 HG23 ILE 83 HG23 ILE 83 -4.056 -6.679 2.315
654 HD11 ILE 83 HD11 ILE 83 -3.594 -6.343 -0.500
655 HD12 ILE 83 HD12 ILE 83 -4.811 -7.078 -1.544
656 HD13 ILE 83 HD13 ILE 83 -3.133 -7.614 -1.633
657 H GLN 84 HN GLN 84 -5.234 -8.040 4.401
658 HA GLN 84 HA GLN 84 -7.757 -8.425 5.553
659 HB2 GLN 84 HB2 GLN 84 -5.745 -6.249 6.164
660 HB3 GLN 84 HB1 GLN 84 -7.015 -6.819 7.236
661 HG2 GLN 84 HG2 GLN 84 -5.950 -8.908 7.539
662 HG3 GLN 84 HG1 GLN 84 -4.813 -8.593 6.227
663 HE21 GLN 84 HE21 GLN 84 -3.096 -7.188 6.566
664 HE22 GLN 84 HE22 GLN 84 -2.596 -6.718 8.153
665 H ASP 85 HN ASP 85 -9.506 -6.995 5.855
666 HA ASP 85 HA ASP 85 -9.987 -5.313 3.563
667 HB2 ASP 85 HB2 ASP 85 -12.268 -5.130 4.403
668 HB3 ASP 85 HB1 ASP 85 -11.746 -6.809 4.424
669 H GLY 86 HN GLY 86 -7.945 -4.345 5.287
670 HA2 GLY 86 HA2 GLY 86 -8.781 -1.648 5.599
671 HA3 GLY 86 HA1 GLY 86 -8.681 -2.445 7.162
672 H THR 87 HN THR 87 -6.519 -4.011 6.990
673 HA THR 87 HA THR 87 -4.360 -2.061 6.689
674 HB THR 87 HB THR 87 -4.216 -4.791 7.964
675 HG1 THR 87 HG1 THR 87 -5.812 -3.288 8.919
676 HG21 THR 87 HG21 THR 87 -2.287 -3.841 9.143
677 HG22 THR 87 HG22 THR 87 -2.511 -2.315 8.291
678 HG23 THR 87 HG23 THR 87 -2.056 -3.766 7.396
679 H VAL 88 HN VAL 88 -3.145 -2.134 4.919
680 HA VAL 88 HA VAL 88 -2.927 -4.669 3.459
681 HB VAL 88 HB VAL 88 -2.099 -3.344 1.568
682 HG11 VAL 88 HG11 VAL 88 -4.193 -2.144 1.058
683 HG12 VAL 88 HG12 VAL 88 -4.694 -2.354 2.737
684 HG13 VAL 88 HG13 VAL 88 -4.472 -3.762 1.699
685 HG21 VAL 88 HG21 VAL 88 -2.113 -0.922 1.613
686 HG22 VAL 88 HG22 VAL 88 -1.051 -1.545 2.882
687 HG23 VAL 88 HG23 VAL 88 -2.656 -0.935 3.292
688 H ARG 89 HN ARG 89 -0.977 -5.685 3.235
689 HA ARG 89 HA ARG 89 1.243 -4.421 4.692
690 HB2 ARG 89 HB2 ARG 89 0.193 -6.624 5.536
691 HB3 ARG 89 HB1 ARG 89 1.058 -7.368 4.195
692 HG2 ARG 89 HG2 ARG 89 3.144 -6.282 5.097
693 HG3 ARG 89 HG1 ARG 89 2.203 -5.883 6.533
694 HD2 ARG 89 HD2 ARG 89 3.366 -7.901 6.965
695 HD3 ARG 89 HD1 ARG 89 1.659 -8.287 6.764
696 HE ARG 89 HE ARG 89 3.321 -8.568 4.399
697 HH11 ARG 89 HH11 ARG 89 1.815 -10.140 7.134
698 HH12 ARG 89 HH12 ARG 89 1.938 -11.731 6.454
699 HH21 ARG 89 HH21 ARG 89 3.517 -10.680 3.498
700 HH22 ARG 89 HH22 ARG 89 2.894 -12.034 4.392
701 H ILE 90 HN ILE 90 2.764 -3.675 3.432
702 HA ILE 90 HA ILE 90 3.280 -4.974 0.851
703 HB ILE 90 HB ILE 90 4.180 -2.274 1.871
704 HG12 ILE 90 HG12 ILE 90 2.081 -3.026 -0.172
705 HG13 ILE 90 HG11 ILE 90 1.771 -2.370 1.430
706 HG21 ILE 90 HG21 ILE 90 4.508 -3.543 -0.844
707 HG22 ILE 90 HG22 ILE 90 5.792 -3.214 0.318
708 HG23 ILE 90 HG23 ILE 90 4.924 -1.879 -0.438
709 HD11 ILE 90 HD11 ILE 90 1.535 -0.670 -0.289
710 HD12 ILE 90 HD12 ILE 90 3.201 -0.948 -0.802
711 HD13 ILE 90 HD13 ILE 90 2.869 -0.291 0.800
712 H GLU 91 HN GLU 91 5.056 -6.167 0.597
713 HA GLU 91 HA GLU 91 6.974 -6.241 2.798
714 HB2 GLU 91 HB2 GLU 91 6.452 -8.129 0.504
715 HB3 GLU 91 HB1 GLU 91 7.795 -8.319 1.626
716 HG2 GLU 91 HG2 GLU 91 6.196 -8.459 3.484
717 HG3 GLU 91 HG1 GLU 91 4.870 -8.329 2.331
718 H VAL 92 HN VAL 92 8.908 -5.417 2.647
719 HA VAL 92 HA VAL 92 9.675 -4.226 0.080
720 HB VAL 92 HB VAL 92 10.741 -3.579 2.832
721 HG11 VAL 92 HG11 VAL 92 11.025 -2.152 0.191
722 HG12 VAL 92 HG12 VAL 92 12.289 -3.041 1.042
723 HG13 VAL 92 HG13 VAL 92 11.620 -1.567 1.743
724 HG21 VAL 92 HG21 VAL 92 8.586 -2.235 1.205
725 HG22 VAL 92 HG22 VAL 92 9.370 -1.501 2.603
726 HG23 VAL 92 HG23 VAL 92 8.423 -2.976 2.800
727 H LEU 93 HN LEU 93 10.819 -5.744 -0.981
728 HA LEU 93 HA LEU 93 12.893 -7.244 0.381
729 HB2 LEU 93 HB2 LEU 93 11.522 -8.329 -1.351
730 HB3 LEU 93 HB1 LEU 93 12.088 -7.166 -2.534
731 HG LEU 93 HG LEU 93 14.379 -8.048 -2.291
732 HD11 LEU 93 HD11 LEU 93 14.725 -10.162 -1.085
733 HD12 LEU 93 HD12 LEU 93 13.078 -10.061 -0.462
734 HD13 LEU 93 HD13 LEU 93 14.270 -8.844 -0.006
735 HD21 LEU 93 HD21 LEU 93 12.313 -10.157 -2.905
736 HD22 LEU 93 HD22 LEU 93 13.996 -10.163 -3.433
737 HD23 LEU 93 HD23 LEU 93 12.891 -8.923 -4.024
738 H GLU 94 HN GLU 94 14.348 -5.702 1.025
739 HA GLU 94 HA GLU 94 15.259 -3.587 -0.624
740 HB2 GLU 94 HB2 GLU 94 16.679 -4.745 1.769
741 HB3 GLU 94 HB1 GLU 94 16.846 -3.124 1.117
742 HG2 GLU 94 HG2 GLU 94 14.497 -2.672 1.743
743 HG3 GLU 94 HG1 GLU 94 14.417 -4.274 2.466
744 H GLY 95 HN GLY 95 16.265 -6.871 -0.143
745 HA2 GLY 95 HA2 GLY 95 17.439 -7.694 -2.233
746 HA3 GLY 95 HA1 GLY 95 18.600 -6.420 -1.877
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 -23.039 2.631 17.434
2 H2 MET 1 HT2 MET 1 -21.862 3.817 17.684
3 H3 MET 1 HT3 MET 1 -21.622 2.623 16.513
4 HA MET 1 HA MET 1 -23.492 3.454 15.247
5 HB2 MET 1 HB2 MET 1 -23.481 5.694 17.284
6 HB3 MET 1 HB1 MET 1 -24.491 5.610 15.850
7 HG2 MET 1 HG2 MET 1 -24.599 3.749 18.211
8 HG3 MET 1 HG1 MET 1 -25.745 5.034 17.842
9 HE1 MET 1 HE1 MET 1 -27.482 3.708 14.606
10 HE2 MET 1 HE2 MET 1 -26.094 4.791 14.693
11 HE3 MET 1 HE3 MET 1 -27.436 4.985 15.821
12 H ALA 2 HN ALA 2 -21.390 3.302 14.168
13 HA ALA 2 HA ALA 2 -20.363 5.988 13.563
14 HB1 ALA 2 HB1 ALA 2 -18.085 5.106 13.412
15 HB2 ALA 2 HB2 ALA 2 -18.659 3.526 13.943
16 HB3 ALA 2 HB3 ALA 2 -18.742 4.906 15.037
17 H HIS 3 HN HIS 3 -22.120 3.662 12.419
18 HA HIS 3 HA HIS 3 -20.778 3.064 9.927
19 HB2 HIS 3 HB2 HIS 3 -23.480 2.357 11.054
20 HB3 HIS 3 HB1 HIS 3 -23.068 2.018 9.380
21 HD1 HIS 3 HD1 HIS 3 -23.150 -0.518 9.689
22 HD2 HIS 3 HD2 HIS 3 -20.439 1.371 12.209
23 HE1 HIS 3 HE1 HIS 3 -21.798 -2.359 10.724
24 HE2 HIS 3 HE2 HIS 3 -20.244 -1.208 12.332
25 H HIS 4 HN HIS 4 -21.603 3.666 7.856
26 HA HIS 4 HA HIS 4 -22.053 5.297 6.351
27 HB2 HIS 4 HB2 HIS 4 -24.336 5.830 8.260
28 HB3 HIS 4 HB1 HIS 4 -24.163 6.627 6.700
29 HD1 HIS 4 HD1 HIS 4 -25.971 3.995 8.127
30 HD2 HIS 4 HD2 HIS 4 -23.814 4.386 4.601
31 HE1 HIS 4 HE1 HIS 4 -26.842 2.196 6.603
32 HE2 HIS 4 HE2 HIS 4 -25.378 2.330 4.557
33 H HIS 5 HN HIS 5 -20.076 5.812 8.174
34 HA HIS 5 HA HIS 5 -19.821 8.638 7.930
35 HB2 HIS 5 HB2 HIS 5 -21.238 8.485 9.986
36 HB3 HIS 5 HB1 HIS 5 -19.955 7.557 10.755
37 HD1 HIS 5 HD1 HIS 5 -18.827 9.048 12.383
38 HD2 HIS 5 HD2 HIS 5 -19.772 11.031 8.855
39 HE1 HIS 5 HE1 HIS 5 -17.899 11.371 12.641
40 HE2 HIS 5 HE2 HIS 5 -18.551 12.576 10.527
41 H HIS 6 HN HIS 6 -18.677 5.595 9.269
42 HA HIS 6 HA HIS 6 -16.018 6.371 9.774
43 HB2 HIS 6 HB2 HIS 6 -17.053 4.271 10.626
44 HB3 HIS 6 HB1 HIS 6 -17.019 3.622 8.992
45 HD1 HIS 6 HD1 HIS 6 -15.211 1.936 8.874
46 HD2 HIS 6 HD2 HIS 6 -14.102 5.234 11.150
47 HE1 HIS 6 HE1 HIS 6 -12.832 1.515 9.561
48 HE2 HIS 6 HE2 HIS 6 -12.135 3.592 10.801
49 H HIS 7 HN HIS 7 -17.623 5.164 6.868
50 HA HIS 7 HA HIS 7 -15.378 6.269 5.366
51 HB2 HIS 7 HB2 HIS 7 -15.271 4.433 3.805
52 HB3 HIS 7 HB1 HIS 7 -15.035 3.811 5.428
53 HD1 HIS 7 HD1 HIS 7 -17.066 3.374 2.408
54 HD2 HIS 7 HD2 HIS 7 -17.355 2.357 6.435
55 HE1 HIS 7 HE1 HIS 7 -18.802 1.566 2.528
56 HE2 HIS 7 HE2 HIS 7 -19.056 1.059 4.978
57 H HIS 8 HN HIS 8 -16.126 7.820 4.151
58 HA HIS 8 HA HIS 8 -18.897 7.797 3.251
59 HB2 HIS 8 HB2 HIS 8 -18.397 10.071 2.372
60 HB3 HIS 8 HB1 HIS 8 -18.070 9.918 4.092
61 HD1 HIS 8 HD1 HIS 8 -16.253 10.122 0.775
62 HD2 HIS 8 HD2 HIS 8 -15.504 10.518 4.848
63 HE1 HIS 8 HE1 HIS 8 -13.899 10.983 0.954
64 HE2 HIS 8 HE2 HIS 8 -13.421 11.075 3.422
65 H VAL 9 HN VAL 9 -15.987 6.652 2.234
66 HA VAL 9 HA VAL 9 -16.400 6.979 -0.609
67 HB VAL 9 HB VAL 9 -14.124 6.923 0.423
68 HG11 VAL 9 HG11 VAL 9 -13.247 4.575 0.903
69 HG12 VAL 9 HG12 VAL 9 -14.942 4.110 1.044
70 HG13 VAL 9 HG13 VAL 9 -14.270 5.332 2.121
71 HG21 VAL 9 HG21 VAL 9 -14.423 6.465 -1.954
72 HG22 VAL 9 HG22 VAL 9 -14.662 4.753 -1.599
73 HG23 VAL 9 HG23 VAL 9 -13.101 5.510 -1.282
74 H ASP 10 HN ASP 10 -16.994 5.335 -2.024
75 HA ASP 10 HA ASP 10 -17.787 2.758 -0.861
76 HB2 ASP 10 HB2 ASP 10 -19.410 4.340 -2.875
77 HB3 ASP 10 HB1 ASP 10 -19.791 2.720 -2.306
78 H ASP 11 HN ASP 11 -18.521 1.396 -3.059
79 HA ASP 11 HA ASP 11 -16.082 0.897 -4.412
80 HB2 ASP 11 HB2 ASP 11 -18.904 -0.049 -4.906
81 HB3 ASP 11 HB1 ASP 11 -17.566 -0.530 -5.938
82 H ASP 12 HN ASP 12 -15.454 2.860 -5.357
83 HA ASP 12 HA ASP 12 -17.110 4.148 -7.327
84 HB2 ASP 12 HB2 ASP 12 -15.516 5.471 -6.027
85 HB3 ASP 12 HB1 ASP 12 -14.181 4.518 -6.661
86 H ASP 13 HN ASP 13 -14.173 2.164 -7.383
87 HA ASP 13 HA ASP 13 -14.867 1.395 -10.128
88 HB2 ASP 13 HB2 ASP 13 -13.109 3.087 -10.313
89 HB3 ASP 13 HB1 ASP 13 -12.095 2.174 -9.201
90 H LYS 14 HN LYS 14 -15.337 -0.670 -9.947
91 HA LYS 14 HA LYS 14 -13.400 -2.441 -8.636
92 HB2 LYS 14 HB2 LYS 14 -15.544 -1.910 -7.261
93 HB3 LYS 14 HB1 LYS 14 -16.368 -2.924 -8.432
94 HG2 LYS 14 HG2 LYS 14 -13.992 -3.894 -6.874
95 HG3 LYS 14 HG1 LYS 14 -15.634 -4.000 -6.247
96 HD2 LYS 14 HD2 LYS 14 -14.737 -5.193 -8.868
97 HD3 LYS 14 HD1 LYS 14 -14.814 -6.086 -7.347
98 HE2 LYS 14 HE2 LYS 14 -17.229 -5.562 -7.215
99 HE3 LYS 14 HE1 LYS 14 -17.119 -4.773 -8.787
100 HZ1 LYS 14 HZ1 LYS 14 -16.573 -7.635 -8.225
101 HZ2 LYS 14 HZ2 LYS 14 -16.403 -6.891 -9.734
102 HZ3 LYS 14 HZ3 LYS 14 -17.931 -7.014 -9.021
103 H MET 15 HN MET 15 -12.648 -2.820 -10.779
104 HA MET 15 HA MET 15 -14.442 -4.562 -12.341
105 HB2 MET 15 HB2 MET 15 -12.406 -2.575 -13.347
106 HB3 MET 15 HB1 MET 15 -13.101 -3.833 -14.358
107 HG2 MET 15 HG2 MET 15 -15.334 -2.902 -13.950
108 HG3 MET 15 HG1 MET 15 -14.604 -1.617 -12.990
109 HE1 MET 15 HE1 MET 15 -13.187 -3.220 -16.320
110 HE2 MET 15 HE2 MET 15 -13.916 -2.159 -17.525
111 HE3 MET 15 HE3 MET 15 -14.935 -3.216 -16.550
112 H GLY 16 HN GLY 16 -11.055 -3.812 -11.598
113 HA2 GLY 16 HA2 GLY 16 -10.158 -6.352 -12.647
114 HA3 GLY 16 HA1 GLY 16 -9.163 -5.127 -11.874
115 H GLY 17 HN GLY 17 -11.369 -5.233 -9.685
116 HA2 GLY 17 HA2 GLY 17 -11.386 -7.707 -8.443
117 HA3 GLY 17 HA1 GLY 17 -9.916 -6.900 -7.914
118 HA PRO 18 HA PRO 18 -13.869 -5.609 -5.463
119 HB2 PRO 18 HB2 PRO 18 -12.963 -6.707 -3.090
120 HB3 PRO 18 HB1 PRO 18 -14.143 -7.461 -4.166
121 HG2 PRO 18 HG2 PRO 18 -11.205 -7.953 -3.934
122 HG3 PRO 18 HG1 PRO 18 -12.522 -9.117 -4.169
123 HD2 PRO 18 HD2 PRO 18 -10.964 -8.366 -6.206
124 HD3 PRO 18 HD1 PRO 18 -12.704 -8.642 -6.435
125 H THR 19 HN THR 19 -13.845 -3.950 -3.878
126 HA THR 19 HA THR 19 -11.278 -2.583 -3.746
127 HB THR 19 HB THR 19 -12.574 -0.647 -2.927
128 HG1 THR 19 HG1 THR 19 -15.040 -1.684 -3.592
129 HG21 THR 19 HG21 THR 19 -12.217 -0.902 -5.324
130 HG22 THR 19 HG22 THR 19 -13.803 -0.197 -5.010
131 HG23 THR 19 HG23 THR 19 -13.666 -1.899 -5.449
132 H VAL 20 HN VAL 20 -10.193 -2.169 -1.893
133 HA VAL 20 HA VAL 20 -11.339 -3.235 0.596
134 HB VAL 20 HB VAL 20 -8.437 -3.031 -0.077
135 HG11 VAL 20 HG11 VAL 20 -8.101 -4.394 1.928
136 HG12 VAL 20 HG12 VAL 20 -9.837 -4.355 2.232
137 HG13 VAL 20 HG13 VAL 20 -8.896 -2.865 2.303
138 HG21 VAL 20 HG21 VAL 20 -9.481 -4.719 -1.482
139 HG22 VAL 20 HG22 VAL 20 -10.194 -5.474 -0.057
140 HG23 VAL 20 HG23 VAL 20 -8.444 -5.473 -0.271
141 H LEU 21 HN LEU 21 -11.795 -1.704 2.047
142 HA LEU 21 HA LEU 21 -10.930 0.978 1.737
143 HB2 LEU 21 HB2 LEU 21 -13.027 0.435 2.885
144 HB3 LEU 21 HB1 LEU 21 -12.135 -0.394 4.144
145 HG LEU 21 HG LEU 21 -11.021 1.807 4.672
146 HD11 LEU 21 HD11 LEU 21 -13.194 2.890 2.886
147 HD12 LEU 21 HD12 LEU 21 -11.460 2.943 2.565
148 HD13 LEU 21 HD13 LEU 21 -12.132 3.846 3.923
149 HD21 LEU 21 HD21 LEU 21 -12.955 2.678 5.906
150 HD22 LEU 21 HD22 LEU 21 -12.784 0.931 6.062
151 HD23 LEU 21 HD23 LEU 21 -14.009 1.605 4.985
152 H VAL 22 HN VAL 22 -8.792 1.196 1.737
153 HA VAL 22 HA VAL 22 -7.109 -0.023 3.697
154 HB VAL 22 HB VAL 22 -6.509 2.241 1.789
155 HG11 VAL 22 HG11 VAL 22 -4.600 0.404 3.240
156 HG12 VAL 22 HG12 VAL 22 -4.984 2.044 3.759
157 HG13 VAL 22 HG13 VAL 22 -4.182 1.775 2.211
158 HG21 VAL 22 HG21 VAL 22 -6.011 -0.719 1.529
159 HG22 VAL 22 HG22 VAL 22 -5.441 0.520 0.411
160 HG23 VAL 22 HG23 VAL 22 -7.171 0.234 0.603
161 H LYS 23 HN LYS 23 -6.888 0.634 5.690
162 HA LYS 23 HA LYS 23 -7.585 3.403 6.382
163 HB2 LYS 23 HB2 LYS 23 -7.251 1.012 8.207
164 HB3 LYS 23 HB1 LYS 23 -7.900 2.586 8.650
165 HG2 LYS 23 HG2 LYS 23 -9.875 2.239 7.433
166 HG3 LYS 23 HG1 LYS 23 -9.185 0.887 6.537
167 HD2 LYS 23 HD2 LYS 23 -9.002 -0.287 8.797
168 HD3 LYS 23 HD1 LYS 23 -10.071 0.977 9.407
169 HE2 LYS 23 HE2 LYS 23 -11.814 0.337 7.932
170 HE3 LYS 23 HE1 LYS 23 -10.739 -0.712 7.008
171 HZ1 LYS 23 HZ1 LYS 23 -11.715 -1.143 9.775
172 HZ2 LYS 23 HZ2 LYS 23 -10.513 -2.083 9.047
173 HZ3 LYS 23 HZ3 LYS 23 -12.078 -2.071 8.403
174 H ARG 24 HN ARG 24 -5.040 1.109 6.171
175 HA ARG 24 HA ARG 24 -3.036 3.080 6.554
176 HB2 ARG 24 HB2 ARG 24 -1.933 2.077 8.521
177 HB3 ARG 24 HB1 ARG 24 -3.516 2.733 8.917
178 HG2 ARG 24 HG2 ARG 24 -4.476 0.508 8.898
179 HG3 ARG 24 HG1 ARG 24 -2.925 -0.177 8.410
180 HD2 ARG 24 HD2 ARG 24 -3.334 -0.452 10.811
181 HD3 ARG 24 HD1 ARG 24 -1.920 0.554 10.492
182 HE ARG 24 HE ARG 24 -4.398 1.992 10.905
183 HH11 ARG 24 HH11 ARG 24 -1.500 0.694 12.380
184 HH12 ARG 24 HH12 ARG 24 -1.559 1.771 13.737
185 HH21 ARG 24 HH21 ARG 24 -4.481 3.399 12.695
186 HH22 ARG 24 HH22 ARG 24 -3.251 3.312 13.915
187 H PHE 25 HN PHE 25 -0.888 2.218 6.232
188 HA PHE 25 HA PHE 25 -0.890 -0.389 4.869
189 HB2 PHE 25 HB2 PHE 25 0.916 2.013 4.481
190 HB3 PHE 25 HB1 PHE 25 1.178 0.451 3.720
191 HD1 PHE 25 HD1 PHE 25 -1.431 3.090 4.048
192 HD2 PHE 25 HD2 PHE 25 0.352 0.101 1.605
193 HE1 PHE 25 HE1 PHE 25 -2.853 3.777 2.173
194 HE2 PHE 25 HE2 PHE 25 -1.070 0.783 -0.275
195 HZ PHE 25 HZ PHE 25 -2.679 2.626 0.002
196 H GLN 26 HN GLN 26 0.749 -1.852 5.370
197 HA GLN 26 HA GLN 26 2.597 -1.043 7.508
198 HB2 GLN 26 HB2 GLN 26 0.842 -2.460 8.490
199 HB3 GLN 26 HB1 GLN 26 1.178 -3.710 7.299
200 HG2 GLN 26 HG2 GLN 26 2.193 -4.238 9.439
201 HG3 GLN 26 HG1 GLN 26 3.420 -3.990 8.199
202 HE21 GLN 26 HE21 GLN 26 5.059 -3.439 9.576
203 HE22 GLN 26 HE22 GLN 26 5.075 -1.986 10.504
204 H LEU 27 HN LEU 27 4.673 -1.604 7.185
205 HA LEU 27 HA LEU 27 5.250 -2.999 4.674
206 HB2 LEU 27 HB2 LEU 27 6.872 -1.063 6.323
207 HB3 LEU 27 HB1 LEU 27 7.542 -1.965 4.985
208 HG LEU 27 HG LEU 27 7.057 0.230 4.213
209 HD11 LEU 27 HD11 LEU 27 5.433 -0.185 2.427
210 HD12 LEU 27 HD12 LEU 27 4.953 -1.677 3.233
211 HD13 LEU 27 HD13 LEU 27 6.594 -1.499 2.610
212 HD21 LEU 27 HD21 LEU 27 4.836 1.234 4.304
213 HD22 LEU 27 HD22 LEU 27 5.472 0.919 5.918
214 HD23 LEU 27 HD23 LEU 27 4.248 -0.148 5.230
215 H SER 28 HN SER 28 6.360 -4.845 4.649
216 HA SER 28 HA SER 28 7.622 -5.748 7.142
217 HB2 SER 28 HB2 SER 28 5.779 -7.299 5.315
218 HB3 SER 28 HB1 SER 28 6.856 -8.081 6.478
219 HG SER 28 HG SER 28 5.667 -6.235 7.843
220 H GLY 29 HN GLY 29 9.705 -6.117 6.861
221 HA2 GLY 29 HA2 GLY 29 11.418 -7.421 5.718
222 HA3 GLY 29 HA1 GLY 29 10.624 -7.019 4.202
223 H ASN 30 HN ASN 30 10.306 -4.258 5.692
224 HA ASN 30 HA ASN 30 12.641 -3.100 4.432
225 HB2 ASN 30 HB2 ASN 30 11.608 -0.924 5.059
226 HB3 ASN 30 HB1 ASN 30 10.540 -1.945 4.106
227 HD21 ASN 30 HD21 ASN 30 10.172 0.262 6.165
228 HD22 ASN 30 HD22 ASN 30 8.988 -0.388 7.248
229 H ARG 31 HN ARG 31 14.313 -2.155 5.407
230 HA ARG 31 HA ARG 31 14.318 -1.908 8.332
231 HB2 ARG 31 HB2 ARG 31 15.430 -4.019 7.820
232 HB3 ARG 31 HB1 ARG 31 16.477 -3.217 6.660
233 HG2 ARG 31 HG2 ARG 31 17.561 -3.745 8.830
234 HG3 ARG 31 HG1 ARG 31 17.617 -2.038 8.391
235 HD2 ARG 31 HD2 ARG 31 17.083 -2.405 10.772
236 HD3 ARG 31 HD1 ARG 31 15.817 -1.539 9.907
237 HE ARG 31 HE ARG 31 15.366 -4.370 10.017
238 HH11 ARG 31 HH11 ARG 31 15.046 -1.369 11.784
239 HH12 ARG 31 HH12 ARG 31 13.679 -1.908 12.710
240 HH21 ARG 31 HH21 ARG 31 13.567 -5.091 11.243
241 HH22 ARG 31 HH22 ARG 31 12.840 -4.025 12.402
242 H GLN 32 HN GLN 32 15.557 -0.986 5.197
243 HA GLN 32 HA GLN 32 17.381 0.995 6.064
244 HB2 GLN 32 HB2 GLN 32 15.912 0.650 3.451
245 HB3 GLN 32 HB1 GLN 32 17.179 1.836 3.709
246 HG2 GLN 32 HG2 GLN 32 17.461 -1.153 3.878
247 HG3 GLN 32 HG1 GLN 32 18.073 -0.106 2.599
248 HE21 GLN 32 HE21 GLN 32 19.465 -1.947 4.419
249 HE22 GLN 32 HE22 GLN 32 20.666 -0.995 5.217
250 H PHE 33 HN PHE 33 13.954 1.115 5.208
251 HA PHE 33 HA PHE 33 13.865 3.823 6.355
252 HB2 PHE 33 HB2 PHE 33 12.226 2.828 4.013
253 HB3 PHE 33 HB1 PHE 33 12.104 4.417 4.758
254 HD1 PHE 33 HD2 PHE 33 14.160 5.914 4.713
255 HD2 PHE 33 HD1 PHE 33 13.747 2.445 2.285
256 HE1 PHE 33 HE2 PHE 33 15.912 6.763 3.207
257 HE2 PHE 33 HE1 PHE 33 15.499 3.286 0.779
258 HZ PHE 33 HZ PHE 33 16.584 5.446 1.241
259 H ASP 34 HN ASP 34 12.275 4.218 7.793
260 HA ASP 34 HA ASP 34 10.978 1.972 8.986
261 HB2 ASP 34 HB2 ASP 34 10.104 3.569 10.601
262 HB3 ASP 34 HB1 ASP 34 11.810 3.885 10.313
263 H ASP 35 HN ASP 35 8.583 2.163 9.593
264 HA ASP 35 HA ASP 35 7.110 1.697 7.292
265 HB2 ASP 35 HB2 ASP 35 6.050 2.490 10.006
266 HB3 ASP 35 HB1 ASP 35 5.094 1.772 8.720
267 H ARG 36 HN ARG 36 6.924 4.555 9.411
268 HA ARG 36 HA ARG 36 4.958 5.906 7.969
269 HB2 ARG 36 HB2 ARG 36 5.637 6.497 10.260
270 HB3 ARG 36 HB1 ARG 36 7.163 7.113 9.639
271 HG2 ARG 36 HG2 ARG 36 5.964 8.805 8.353
272 HG3 ARG 36 HG1 ARG 36 4.430 8.186 8.964
273 HD2 ARG 36 HD2 ARG 36 5.108 10.145 10.217
274 HD3 ARG 36 HD1 ARG 36 5.142 8.715 11.247
275 HE ARG 36 HE ARG 36 7.678 9.331 10.033
276 HH11 ARG 36 HH11 ARG 36 5.570 9.941 12.751
277 HH12 ARG 36 HH12 ARG 36 6.850 10.466 13.794
278 HH21 ARG 36 HH21 ARG 36 9.372 10.020 11.393
279 HH22 ARG 36 HH22 ARG 36 9.021 10.514 13.020
280 H ARG 37 HN ARG 37 8.459 5.924 7.596
281 HA ARG 37 HA ARG 37 8.681 8.018 5.750
282 HB2 ARG 37 HB2 ARG 37 10.605 6.948 6.868
283 HB3 ARG 37 HB1 ARG 37 10.335 5.491 5.924
284 HG2 ARG 37 HG2 ARG 37 12.166 6.809 5.018
285 HG3 ARG 37 HG1 ARG 37 10.825 6.712 3.875
286 HD2 ARG 37 HD2 ARG 37 10.112 8.925 4.404
287 HD3 ARG 37 HD1 ARG 37 11.237 9.028 5.755
288 HE ARG 37 HE ARG 37 13.021 8.851 3.965
289 HH11 ARG 37 HH11 ARG 37 9.870 10.235 3.307
290 HH12 ARG 37 HH12 ARG 37 10.474 11.354 2.128
291 HH21 ARG 37 HH21 ARG 37 13.808 10.320 2.406
292 HH22 ARG 37 HH22 ARG 37 12.705 11.399 1.610
293 H LEU 38 HN LEU 38 7.825 4.640 5.347
294 HA LEU 38 HA LEU 38 7.734 4.888 2.463
295 HB2 LEU 38 HB2 LEU 38 7.355 2.645 4.405
296 HB3 LEU 38 HB1 LEU 38 6.744 2.476 2.774
297 HG LEU 38 HG LEU 38 8.768 1.937 1.994
298 HD11 LEU 38 HD11 LEU 38 9.867 4.297 3.499
299 HD12 LEU 38 HD12 LEU 38 9.459 4.212 1.783
300 HD13 LEU 38 HD13 LEU 38 10.808 3.272 2.415
301 HD21 LEU 38 HD21 LEU 38 9.547 2.045 4.894
302 HD22 LEU 38 HD22 LEU 38 10.503 1.292 3.619
303 HD23 LEU 38 HD23 LEU 38 8.908 0.658 4.013
304 H LEU 39 HN LEU 39 5.580 5.102 5.159
305 HA LEU 39 HA LEU 39 3.137 4.572 3.835
306 HB2 LEU 39 HB2 LEU 39 3.660 6.328 6.233
307 HB3 LEU 39 HB1 LEU 39 2.081 5.782 5.707
308 HG LEU 39 HG LEU 39 4.317 4.039 6.745
309 HD11 LEU 39 HD11 LEU 39 1.618 4.664 7.922
310 HD12 LEU 39 HD12 LEU 39 3.137 5.391 8.437
311 HD13 LEU 39 HD13 LEU 39 2.881 3.657 8.633
312 HD21 LEU 39 HD21 LEU 39 1.550 3.303 5.812
313 HD22 LEU 39 HD22 LEU 39 2.693 2.216 6.601
314 HD23 LEU 39 HD23 LEU 39 3.066 2.886 5.013
315 H ALA 40 HN ALA 40 5.066 7.471 4.202
316 HA ALA 40 HA ALA 40 3.217 9.356 3.276
317 HB1 ALA 40 HB1 ALA 40 6.212 9.372 2.919
318 HB2 ALA 40 HB2 ALA 40 5.337 9.967 4.330
319 HB3 ALA 40 HB3 ALA 40 5.142 10.766 2.770
320 H LEU 41 HN LEU 41 5.002 6.940 1.564
321 HA LEU 41 HA LEU 41 4.763 8.030 -1.045
322 HB2 LEU 41 HB2 LEU 41 5.139 5.230 -0.001
323 HB3 LEU 41 HB1 LEU 41 5.012 5.573 -1.717
324 HG LEU 41 HG LEU 41 7.033 7.141 -0.220
325 HD11 LEU 41 HD11 LEU 41 7.551 4.281 -0.978
326 HD12 LEU 41 HD12 LEU 41 7.185 4.786 0.666
327 HD13 LEU 41 HD13 LEU 41 8.633 5.389 -0.140
328 HD21 LEU 41 HD21 LEU 41 8.249 6.900 -2.269
329 HD22 LEU 41 HD22 LEU 41 6.583 7.313 -2.675
330 HD23 LEU 41 HD23 LEU 41 7.145 5.646 -2.835
331 H LEU 42 HN LEU 42 2.622 6.291 1.063
332 HA LEU 42 HA LEU 42 0.668 5.977 -1.117
333 HB2 LEU 42 HB2 LEU 42 0.651 4.669 1.601
334 HB3 LEU 42 HB1 LEU 42 -0.469 4.357 0.297
335 HG LEU 42 HG LEU 42 0.832 2.556 -0.018
336 HD11 LEU 42 HD11 LEU 42 2.608 4.611 -1.309
337 HD12 LEU 42 HD12 LEU 42 1.202 3.834 -2.039
338 HD13 LEU 42 HD13 LEU 42 2.629 2.877 -1.635
339 HD21 LEU 42 HD21 LEU 42 3.219 4.012 1.088
340 HD22 LEU 42 HD22 LEU 42 3.085 2.287 0.745
341 HD23 LEU 42 HD23 LEU 42 2.114 3.007 2.025
342 H HIS 43 HN HIS 43 1.399 8.304 0.765
343 HA HIS 43 HA HIS 43 -0.445 8.750 2.743
344 HB2 HIS 43 HB2 HIS 43 0.214 11.018 2.709
345 HB3 HIS 43 HB1 HIS 43 1.605 10.123 2.123
346 HD1 HIS 43 HD1 HIS 43 -0.473 12.959 1.330
347 HD2 HIS 43 HD2 HIS 43 1.770 10.221 -0.852
348 HE1 HIS 43 HE1 HIS 43 -0.115 14.017 -0.920
349 HE2 HIS 43 HE2 HIS 43 1.077 12.263 -2.278
350 H ASP 44 HN ASP 44 -1.032 8.918 -0.664
351 HA ASP 44 HA ASP 44 -3.436 10.549 -0.319
352 HB2 ASP 44 HB2 ASP 44 -3.412 10.680 -2.792
353 HB3 ASP 44 HB1 ASP 44 -1.903 11.239 -2.077
354 H LEU 45 HN LEU 45 -2.806 7.369 -0.080
355 HA LEU 45 HA LEU 45 -4.919 6.463 -1.869
356 HB2 LEU 45 HB2 LEU 45 -2.838 4.976 -0.300
357 HB3 LEU 45 HB1 LEU 45 -4.145 4.164 -1.138
358 HG LEU 45 HG LEU 45 -2.072 5.917 -2.462
359 HD11 LEU 45 HD11 LEU 45 -1.112 3.849 -1.595
360 HD12 LEU 45 HD12 LEU 45 -1.180 3.834 -3.358
361 HD13 LEU 45 HD13 LEU 45 -2.362 2.919 -2.420
362 HD21 LEU 45 HD21 LEU 45 -4.259 4.182 -3.600
363 HD22 LEU 45 HD22 LEU 45 -2.991 4.967 -4.541
364 HD23 LEU 45 HD23 LEU 45 -4.172 5.941 -3.667
365 HA PRO 46 HA PRO 46 -6.510 4.371 2.030
366 HB2 PRO 46 HB2 PRO 46 -5.660 4.970 4.493
367 HB3 PRO 46 HB1 PRO 46 -4.764 3.884 3.436
368 HG2 PRO 46 HG2 PRO 46 -4.247 6.758 4.052
369 HG3 PRO 46 HG1 PRO 46 -3.100 5.415 3.884
370 HD2 PRO 46 HD2 PRO 46 -3.640 7.254 1.903
371 HD3 PRO 46 HD1 PRO 46 -3.006 5.625 1.611
372 H GLY 47 HN GLY 47 -8.263 4.772 3.471
373 HA2 GLY 47 HA2 GLY 47 -9.862 6.288 4.423
374 HA3 GLY 47 HA1 GLY 47 -9.119 7.594 3.499
375 H GLN 48 HN GLN 48 -8.997 5.317 1.372
376 HA GLN 48 HA GLN 48 -11.759 5.561 0.397
377 HB2 GLN 48 HB2 GLN 48 -9.180 5.586 -1.176
378 HB3 GLN 48 HB1 GLN 48 -10.771 5.428 -1.905
379 HG2 GLN 48 HG2 GLN 48 -11.390 7.620 -1.009
380 HG3 GLN 48 HG1 GLN 48 -9.781 7.777 -0.308
381 HE21 GLN 48 HE21 GLN 48 -8.485 6.498 -2.591
382 HE22 GLN 48 HE22 GLN 48 -8.502 7.665 -3.867
383 H GLU 49 HN GLU 49 -12.294 3.743 -1.180
384 HA GLU 49 HA GLU 49 -11.130 1.255 -0.170
385 HB2 GLU 49 HB2 GLU 49 -13.647 1.667 -1.808
386 HB3 GLU 49 HB1 GLU 49 -13.085 0.134 -1.156
387 HG2 GLU 49 HG2 GLU 49 -13.260 1.163 1.123
388 HG3 GLU 49 HG1 GLU 49 -14.068 2.526 0.361
389 H LEU 50 HN LEU 50 -9.279 1.192 -1.273
390 HA LEU 50 HA LEU 50 -9.111 1.599 -4.121
391 HB2 LEU 50 HB2 LEU 50 -7.121 0.587 -2.093
392 HB3 LEU 50 HB1 LEU 50 -6.740 0.939 -3.769
393 HG LEU 50 HG LEU 50 -5.967 2.828 -2.710
394 HD11 LEU 50 HD11 LEU 50 -8.841 3.533 -3.261
395 HD12 LEU 50 HD12 LEU 50 -7.535 3.498 -4.446
396 HD13 LEU 50 HD13 LEU 50 -7.498 4.669 -3.126
397 HD21 LEU 50 HD21 LEU 50 -8.347 2.743 -0.868
398 HD22 LEU 50 HD22 LEU 50 -7.041 3.928 -0.817
399 HD23 LEU 50 HD23 LEU 50 -6.706 2.231 -0.476
400 H ASN 51 HN ASN 51 -9.154 0.026 -5.680
401 HA ASN 51 HA ASN 51 -9.688 -2.694 -4.864
402 HB2 ASN 51 HB2 ASN 51 -10.286 -3.146 -7.056
403 HB3 ASN 51 HB1 ASN 51 -10.616 -1.420 -6.979
404 HD21 ASN 51 HD21 ASN 51 -9.287 0.002 -8.093
405 HD22 ASN 51 HD22 ASN 51 -8.169 -0.529 -9.300
406 H LEU 52 HN LEU 52 -8.387 -4.513 -5.850
407 HA LEU 52 HA LEU 52 -5.908 -4.557 -4.694
408 HB2 LEU 52 HB2 LEU 52 -7.027 -6.189 -6.955
409 HB3 LEU 52 HB1 LEU 52 -5.412 -6.477 -6.340
410 HG LEU 52 HG LEU 52 -6.868 -8.059 -5.322
411 HD11 LEU 52 HD11 LEU 52 -6.591 -7.576 -2.966
412 HD12 LEU 52 HD12 LEU 52 -6.308 -5.875 -3.327
413 HD13 LEU 52 HD13 LEU 52 -5.156 -7.095 -3.872
414 HD21 LEU 52 HD21 LEU 52 -8.831 -7.438 -4.019
415 HD22 LEU 52 HD22 LEU 52 -8.991 -6.922 -5.697
416 HD23 LEU 52 HD23 LEU 52 -8.588 -5.745 -4.447
417 H SER 53 HN SER 53 -6.586 -3.668 -8.069
418 HA SER 53 HA SER 53 -3.952 -3.673 -9.005
419 HB2 SER 53 HB2 SER 53 -6.147 -1.778 -9.867
420 HB3 SER 53 HB1 SER 53 -4.754 -2.290 -10.818
421 HG SER 53 HG SER 53 -7.117 -3.427 -10.708
422 H GLN 54 HN GLN 54 -5.769 -1.201 -7.280
423 HA GLN 54 HA GLN 54 -3.756 0.810 -7.499
424 HB2 GLN 54 HB2 GLN 54 -6.330 0.497 -6.060
425 HB3 GLN 54 HB1 GLN 54 -5.197 1.659 -5.383
426 HG2 GLN 54 HG2 GLN 54 -5.051 2.648 -7.715
427 HG3 GLN 54 HG1 GLN 54 -6.435 1.636 -8.122
428 HE21 GLN 54 HE21 GLN 54 -8.438 2.112 -7.241
429 HE22 GLN 54 HE22 GLN 54 -8.773 3.617 -6.465
430 H LEU 55 HN LEU 55 -4.621 -1.595 -5.062
431 HA LEU 55 HA LEU 55 -2.824 -0.832 -3.098
432 HB2 LEU 55 HB2 LEU 55 -4.081 -3.444 -3.816
433 HB3 LEU 55 HB1 LEU 55 -2.893 -3.369 -2.538
434 HG LEU 55 HG LEU 55 -4.305 -1.578 -1.479
435 HD11 LEU 55 HD11 LEU 55 -5.558 -0.938 -3.400
436 HD12 LEU 55 HD12 LEU 55 -6.636 -1.472 -2.105
437 HD13 LEU 55 HD13 LEU 55 -6.309 -2.533 -3.477
438 HD21 LEU 55 HD21 LEU 55 -4.283 -3.832 -0.601
439 HD22 LEU 55 HD22 LEU 55 -5.482 -4.331 -1.792
440 HD23 LEU 55 HD23 LEU 55 -5.919 -3.177 -0.533
441 H HIS 56 HN HIS 56 -2.366 -3.034 -5.853
442 HA HIS 56 HA HIS 56 0.308 -3.709 -5.153
443 HB2 HIS 56 HB2 HIS 56 -1.210 -3.938 -7.749
444 HB3 HIS 56 HB1 HIS 56 0.472 -4.427 -7.592
445 HD1 HIS 56 HD1 HIS 56 0.965 -6.620 -6.401
446 HD2 HIS 56 HD2 HIS 56 -3.060 -5.596 -6.397
447 HE1 HIS 56 HE1 HIS 56 -0.252 -8.674 -5.614
448 HE2 HIS 56 HE2 HIS 56 -2.686 -8.105 -5.899
449 H ALA 57 HN ALA 57 -1.125 -1.113 -7.008
450 HA ALA 57 HA ALA 57 1.236 -0.143 -8.223
451 HB1 ALA 57 HB1 ALA 57 -0.005 1.932 -8.555
452 HB2 ALA 57 HB2 ALA 57 -1.241 1.386 -7.421
453 HB3 ALA 57 HB3 ALA 57 -1.006 0.534 -8.946
454 H ALA 58 HN ALA 58 -0.133 0.189 -5.051
455 HA ALA 58 HA ALA 58 1.337 2.385 -4.103
456 HB1 ALA 58 HB1 ALA 58 0.803 1.527 -1.875
457 HB2 ALA 58 HB2 ALA 58 0.288 -0.004 -2.586
458 HB3 ALA 58 HB3 ALA 58 -0.603 1.477 -2.937
459 H ALA 59 HN ALA 59 2.061 -1.055 -4.247
460 HA ALA 59 HA ALA 59 4.410 -0.993 -2.679
461 HB1 ALA 59 HB1 ALA 59 4.856 -3.204 -3.624
462 HB2 ALA 59 HB2 ALA 59 3.583 -2.951 -4.819
463 HB3 ALA 59 HB3 ALA 59 3.178 -3.051 -3.106
464 H ALA 60 HN ALA 60 3.794 -0.484 -6.095
465 HA ALA 60 HA ALA 60 6.453 -0.651 -7.011
466 HB1 ALA 60 HB1 ALA 60 5.657 0.512 -9.001
467 HB2 ALA 60 HB2 ALA 60 4.168 0.946 -8.161
468 HB3 ALA 60 HB3 ALA 60 4.522 -0.746 -8.511
469 H ARG 61 HN ARG 61 4.567 1.979 -5.660
470 HA ARG 61 HA ARG 61 6.263 4.133 -6.218
471 HB2 ARG 61 HB2 ARG 61 4.589 3.703 -3.736
472 HB3 ARG 61 HB1 ARG 61 5.224 5.242 -4.296
473 HG2 ARG 61 HG2 ARG 61 3.806 5.157 -6.246
474 HG3 ARG 61 HG1 ARG 61 3.227 3.555 -5.782
475 HD2 ARG 61 HD2 ARG 61 2.298 4.482 -3.726
476 HD3 ARG 61 HD1 ARG 61 2.889 6.078 -4.170
477 HE ARG 61 HE ARG 61 1.120 4.895 -6.116
478 HH11 ARG 61 HH11 ARG 61 1.393 6.856 -3.240
479 HH12 ARG 61 HH12 ARG 61 -0.154 7.630 -3.447
480 HH21 ARG 61 HH21 ARG 61 -0.955 5.886 -6.380
481 HH22 ARG 61 HH22 ARG 61 -1.488 7.062 -5.221
482 H ILE 62 HN ILE 62 6.320 1.715 -3.696
483 HA ILE 62 HA ILE 62 8.344 3.049 -2.148
484 HB ILE 62 HB ILE 62 7.220 0.257 -1.901
485 HG12 ILE 62 HG12 ILE 62 6.520 2.796 -0.418
486 HG13 ILE 62 HG11 ILE 62 5.532 2.038 -1.661
487 HG21 ILE 62 HG21 ILE 62 9.361 0.390 -0.803
488 HG22 ILE 62 HG22 ILE 62 8.085 0.370 0.420
489 HG23 ILE 62 HG23 ILE 62 8.893 1.887 0.008
490 HD11 ILE 62 HD11 ILE 62 6.299 0.736 0.926
491 HD12 ILE 62 HD12 ILE 62 5.152 0.137 -0.275
492 HD13 ILE 62 HD13 ILE 62 4.791 1.598 0.645
493 H GLY 63 HN GLY 63 8.180 0.318 -4.377
494 HA2 GLY 63 HA2 GLY 63 10.818 -0.594 -4.061
495 HA3 GLY 63 HA1 GLY 63 9.843 -0.794 -5.509
496 H ASP 64 HN ASP 64 9.460 1.818 -6.284
497 HA ASP 64 HA ASP 64 12.006 2.439 -7.424
498 HB2 ASP 64 HB2 ASP 64 9.301 3.755 -7.573
499 HB3 ASP 64 HB1 ASP 64 10.723 4.493 -8.303
500 H PHE 65 HN PHE 65 10.244 3.524 -4.649
501 HA PHE 65 HA PHE 65 11.553 5.943 -4.119
502 HB2 PHE 65 HB2 PHE 65 9.598 5.214 -2.834
503 HB3 PHE 65 HB1 PHE 65 10.509 3.859 -2.177
504 HD1 PHE 65 HD1 PHE 65 10.274 7.552 -2.215
505 HD2 PHE 65 HD2 PHE 65 11.843 4.113 -0.259
506 HE1 PHE 65 HE1 PHE 65 10.985 8.956 -0.324
507 HE2 PHE 65 HE2 PHE 65 12.554 5.512 1.635
508 HZ PHE 65 HZ PHE 65 12.115 7.926 1.616
509 H TYR 66 HN TYR 66 12.333 2.634 -3.134
510 HA TYR 66 HA TYR 66 14.725 3.178 -1.789
511 HB2 TYR 66 HB2 TYR 66 13.490 0.788 -3.055
512 HB3 TYR 66 HB1 TYR 66 15.207 0.710 -2.689
513 HD1 TYR 66 HD2 TYR 66 11.930 1.518 -1.087
514 HD2 TYR 66 HD1 TYR 66 15.902 0.086 -0.592
515 HE1 TYR 66 HE2 TYR 66 11.421 0.928 1.244
516 HE2 TYR 66 HE1 TYR 66 15.413 -0.505 1.734
517 HH TYR 66 HH TYR 66 13.886 -0.588 3.330
518 H GLN 67 HN GLN 67 14.144 2.355 -5.201
519 HA GLN 67 HA GLN 67 16.822 2.237 -5.996
520 HB2 GLN 67 HB2 GLN 67 14.458 3.118 -7.653
521 HB3 GLN 67 HB1 GLN 67 16.016 2.601 -8.278
522 HG2 GLN 67 HG2 GLN 67 15.561 0.396 -7.077
523 HG3 GLN 67 HG1 GLN 67 13.899 0.967 -6.938
524 HE21 GLN 67 HE21 GLN 67 14.103 2.416 -9.502
525 HE22 GLN 67 HE22 GLN 67 13.984 1.199 -10.724
526 H GLU 68 HN GLU 68 14.610 4.966 -5.767
527 HA GLU 68 HA GLU 68 16.242 6.904 -6.986
528 HB2 GLU 68 HB2 GLU 68 13.770 7.057 -6.313
529 HB3 GLU 68 HB1 GLU 68 14.345 7.438 -4.700
530 HG2 GLU 68 HG2 GLU 68 15.304 9.042 -7.022
531 HG3 GLU 68 HG1 GLU 68 13.698 9.333 -6.363
532 H LYS 69 HN LYS 69 16.120 5.591 -3.743
533 HA LYS 69 HA LYS 69 18.012 7.505 -2.704
534 HB2 LYS 69 HB2 LYS 69 16.970 4.971 -1.434
535 HB3 LYS 69 HB1 LYS 69 17.819 6.273 -0.617
536 HG2 LYS 69 HG2 LYS 69 15.076 6.361 -1.840
537 HG3 LYS 69 HG1 LYS 69 15.500 6.489 -0.134
538 HD2 LYS 69 HD2 LYS 69 16.617 8.609 -0.551
539 HD3 LYS 69 HD1 LYS 69 16.268 8.473 -2.277
540 HE2 LYS 69 HE2 LYS 69 13.836 8.383 -1.660
541 HE3 LYS 69 HE1 LYS 69 14.308 8.813 -0.018
542 HZ1 LYS 69 HZ1 LYS 69 14.724 10.428 -2.476
543 HZ2 LYS 69 HZ2 LYS 69 15.353 10.833 -0.955
544 HZ3 LYS 69 HZ3 LYS 69 13.680 10.782 -1.188
545 H GLY 70 HN GLY 70 18.375 4.993 -4.743
546 HA2 GLY 70 HA2 GLY 70 20.609 4.551 -5.534
547 HA3 GLY 70 HA1 GLY 70 21.167 4.629 -3.874
548 H TYR 71 HN TYR 71 18.442 2.974 -3.537
549 HA TYR 71 HA TYR 71 19.859 0.429 -3.549
550 HB2 TYR 71 HB2 TYR 71 17.077 1.083 -2.551
551 HB3 TYR 71 HB1 TYR 71 17.964 -0.407 -2.252
552 HD1 TYR 71 HD1 TYR 71 20.096 -0.265 -0.875
553 HD2 TYR 71 HD2 TYR 71 17.306 2.927 -1.162
554 HE1 TYR 71 HE1 TYR 71 21.039 0.735 1.160
555 HE2 TYR 71 HE2 TYR 71 18.236 3.939 0.867
556 HH TYR 71 HH TYR 71 21.186 2.861 2.266
557 H VAL 72 HN VAL 72 19.912 0.421 -5.911
558 HA VAL 72 HA VAL 72 17.539 0.398 -7.465
559 HB VAL 72 HB VAL 72 20.279 -0.635 -8.214
560 HG11 VAL 72 HG11 VAL 72 18.524 -1.376 -9.741
561 HG12 VAL 72 HG12 VAL 72 19.582 -0.197 -10.514
562 HG13 VAL 72 HG13 VAL 72 17.986 0.292 -9.942
563 HG21 VAL 72 HG21 VAL 72 20.345 1.687 -7.413
564 HG22 VAL 72 HG22 VAL 72 19.097 2.117 -8.583
565 HG23 VAL 72 HG23 VAL 72 20.680 1.580 -9.142
566 H LEU 73 HN LEU 73 19.387 -2.089 -5.853
567 HA LEU 73 HA LEU 73 17.843 -4.202 -7.129
568 HB2 LEU 73 HB2 LEU 73 20.096 -4.246 -5.147
569 HB3 LEU 73 HB1 LEU 73 19.218 -5.690 -5.609
570 HG LEU 73 HG LEU 73 20.793 -3.926 -7.481
571 HD11 LEU 73 HD11 LEU 73 21.363 -6.676 -6.390
572 HD12 LEU 73 HD12 LEU 73 22.220 -5.193 -5.975
573 HD13 LEU 73 HD13 LEU 73 22.318 -5.838 -7.612
574 HD21 LEU 73 HD21 LEU 73 20.397 -5.736 -9.110
575 HD22 LEU 73 HD22 LEU 73 18.911 -4.926 -8.622
576 HD23 LEU 73 HD23 LEU 73 19.311 -6.509 -7.955
577 H ALA 74 HN ALA 74 16.711 -2.150 -5.254
578 HA ALA 74 HA ALA 74 15.506 -4.045 -3.351
579 HB1 ALA 74 HB1 ALA 74 16.827 -2.446 -2.132
580 HB2 ALA 74 HB2 ALA 74 15.117 -2.094 -1.871
581 HB3 ALA 74 HB3 ALA 74 16.061 -1.107 -2.986
582 H ARG 75 HN ARG 75 13.463 -4.450 -3.779
583 HA ARG 75 HA ARG 75 11.793 -2.297 -4.888
584 HB2 ARG 75 HB2 ARG 75 11.696 -5.219 -5.672
585 HB3 ARG 75 HB1 ARG 75 10.531 -4.005 -6.174
586 HG2 ARG 75 HG2 ARG 75 13.457 -4.045 -6.869
587 HG3 ARG 75 HG1 ARG 75 12.126 -4.485 -7.937
588 HD2 ARG 75 HD2 ARG 75 12.649 -1.764 -6.744
589 HD3 ARG 75 HD1 ARG 75 12.915 -2.237 -8.420
590 HE ARG 75 HE ARG 75 10.203 -2.624 -7.567
591 HH11 ARG 75 HH11 ARG 75 12.495 -0.353 -8.900
592 HH12 ARG 75 HH12 ARG 75 11.277 0.748 -9.479
593 HH21 ARG 75 HH21 ARG 75 8.589 -1.188 -8.331
594 HH22 ARG 75 HH22 ARG 75 9.054 0.275 -9.149
595 H ALA 76 HN ALA 76 9.413 -2.886 -4.586
596 HA ALA 76 HA ALA 76 8.996 -4.397 -2.103
597 HB1 ALA 76 HB1 ALA 76 7.803 -1.690 -2.698
598 HB2 ALA 76 HB2 ALA 76 9.065 -2.020 -1.513
599 HB3 ALA 76 HB3 ALA 76 7.448 -2.689 -1.289
600 H PHE 77 HN PHE 77 7.270 -5.730 -2.177
601 HA PHE 77 HA PHE 77 5.361 -5.340 -4.379
602 HB2 PHE 77 HB2 PHE 77 5.316 -7.767 -4.772
603 HB3 PHE 77 HB1 PHE 77 6.921 -7.105 -5.050
604 HD1 PHE 77 HD1 PHE 77 8.739 -7.560 -3.468
605 HD2 PHE 77 HD2 PHE 77 4.901 -9.349 -3.031
606 HE1 PHE 77 HE1 PHE 77 9.694 -9.221 -1.928
607 HE2 PHE 77 HE2 PHE 77 5.850 -11.013 -1.489
608 HZ PHE 77 HZ PHE 77 8.235 -10.961 -0.941
609 H LEU 78 HN LEU 78 3.248 -5.870 -3.938
610 HA LEU 78 HA LEU 78 2.648 -6.224 -1.108
611 HB2 LEU 78 HB2 LEU 78 1.607 -4.403 -2.582
612 HB3 LEU 78 HB1 LEU 78 0.672 -5.688 -3.319
613 HG LEU 78 HG LEU 78 0.580 -5.306 -0.348
614 HD11 LEU 78 HD11 LEU 78 0.137 -3.102 -1.271
615 HD12 LEU 78 HD12 LEU 78 -1.349 -3.823 -0.651
616 HD13 LEU 78 HD13 LEU 78 -1.041 -3.789 -2.388
617 HD21 LEU 78 HD21 LEU 78 -0.416 -7.299 -1.359
618 HD22 LEU 78 HD22 LEU 78 -1.426 -6.271 -2.377
619 HD23 LEU 78 HD23 LEU 78 -1.632 -6.257 -0.624
620 HA PRO 79 HA PRO 79 2.448 -10.609 -2.053
621 HB2 PRO 79 HB2 PRO 79 1.457 -11.263 0.458
622 HB3 PRO 79 HB1 PRO 79 3.166 -11.129 0.037
623 HG2 PRO 79 HG2 PRO 79 1.378 -9.120 1.351
624 HG3 PRO 79 HG1 PRO 79 3.069 -9.518 1.701
625 HD2 PRO 79 HD2 PRO 79 2.418 -7.329 0.341
626 HD3 PRO 79 HD1 PRO 79 3.851 -8.280 -0.103
627 H ALA 80 HN ALA 80 -0.138 -8.808 -0.520
628 HA ALA 80 HA ALA 80 -2.378 -8.802 -0.742
629 HB1 ALA 80 HB1 ALA 80 -1.847 -10.369 -3.264
630 HB2 ALA 80 HB2 ALA 80 -1.939 -8.614 -3.126
631 HB3 ALA 80 HB3 ALA 80 -3.374 -9.596 -2.832
632 H GLN 81 HN GLN 81 -2.375 -11.866 -2.375
633 HA GLN 81 HA GLN 81 -3.116 -13.932 -1.838
634 HB2 GLN 81 HB2 GLN 81 -2.546 -13.185 1.035
635 HB3 GLN 81 HB1 GLN 81 -2.812 -14.807 0.414
636 HG2 GLN 81 HG2 GLN 81 -0.490 -12.994 -0.203
637 HG3 GLN 81 HG1 GLN 81 -0.465 -14.446 0.791
638 HE21 GLN 81 HE21 GLN 81 -0.455 -13.165 -2.410
639 HE22 GLN 81 HE22 GLN 81 -0.186 -14.663 -3.236
640 H GLU 82 HN GLU 82 -4.198 -11.919 0.884
641 HA GLU 82 HA GLU 82 -6.972 -12.256 0.006
642 HB2 GLU 82 HB2 GLU 82 -6.510 -13.997 1.718
643 HB3 GLU 82 HB1 GLU 82 -6.041 -12.734 2.844
644 HG2 GLU 82 HG2 GLU 82 -8.326 -11.785 2.635
645 HG3 GLU 82 HG1 GLU 82 -8.765 -13.188 1.661
646 H ILE 83 HN ILE 83 -4.796 -10.782 2.387
647 HA ILE 83 HA ILE 83 -4.473 -8.633 3.022
648 HB ILE 83 HB ILE 83 -6.490 -7.941 0.900
649 HG12 ILE 83 HG12 ILE 83 -3.474 -7.832 1.005
650 HG13 ILE 83 HG11 ILE 83 -4.456 -8.881 -0.010
651 HG21 ILE 83 HG21 ILE 83 -6.476 -6.214 2.615
652 HG22 ILE 83 HG22 ILE 83 -5.695 -5.625 1.147
653 HG23 ILE 83 HG23 ILE 83 -4.718 -6.121 2.530
654 HD11 ILE 83 HD11 ILE 83 -5.273 -6.924 -1.221
655 HD12 ILE 83 HD12 ILE 83 -3.515 -7.055 -1.289
656 HD13 ILE 83 HD13 ILE 83 -4.272 -5.888 -0.205
657 H GLN 84 HN GLN 84 -5.254 -7.310 4.596
658 HA GLN 84 HA GLN 84 -7.600 -8.332 5.966
659 HB2 GLN 84 HB2 GLN 84 -5.669 -6.193 6.862
660 HB3 GLN 84 HB1 GLN 84 -6.758 -7.137 7.868
661 HG2 GLN 84 HG2 GLN 84 -5.485 -9.120 7.518
662 HG3 GLN 84 HG1 GLN 84 -4.495 -8.330 6.293
663 HE21 GLN 84 HE21 GLN 84 -2.948 -6.825 6.928
664 HE22 GLN 84 HE22 GLN 84 -2.373 -6.740 8.555
665 H ASP 85 HN ASP 85 -9.225 -6.900 6.844
666 HA ASP 85 HA ASP 85 -10.036 -4.866 5.006
667 HB2 ASP 85 HB2 ASP 85 -11.715 -6.261 6.007
668 HB3 ASP 85 HB1 ASP 85 -11.204 -5.743 7.595
669 H GLY 86 HN GLY 86 -8.306 -3.381 5.153
670 HA2 GLY 86 HA2 GLY 86 -8.465 -1.034 6.071
671 HA3 GLY 86 HA1 GLY 86 -8.330 -1.802 7.643
672 H THR 87 HN THR 87 -6.351 -3.473 7.580
673 HA THR 87 HA THR 87 -4.050 -1.801 6.958
674 HB THR 87 HB THR 87 -4.073 -4.473 8.353
675 HG1 THR 87 HG1 THR 87 -5.205 -2.289 9.224
676 HG21 THR 87 HG21 THR 87 -1.886 -3.774 7.551
677 HG22 THR 87 HG22 THR 87 -1.949 -3.662 9.310
678 HG23 THR 87 HG23 THR 87 -2.081 -2.203 8.329
679 H VAL 88 HN VAL 88 -3.017 -2.054 5.103
680 HA VAL 88 HA VAL 88 -3.017 -4.713 3.845
681 HB VAL 88 HB VAL 88 -2.436 -3.597 1.747
682 HG11 VAL 88 HG11 VAL 88 -4.549 -2.380 1.388
683 HG12 VAL 88 HG12 VAL 88 -4.822 -2.381 3.133
684 HG13 VAL 88 HG13 VAL 88 -4.784 -3.904 2.244
685 HG21 VAL 88 HG21 VAL 88 -2.379 -1.186 1.542
686 HG22 VAL 88 HG22 VAL 88 -1.183 -1.713 2.731
687 HG23 VAL 88 HG23 VAL 88 -2.709 -1.006 3.266
688 H ARG 89 HN ARG 89 -1.107 -5.771 3.588
689 HA ARG 89 HA ARG 89 1.237 -4.391 4.710
690 HB2 ARG 89 HB2 ARG 89 0.185 -6.552 5.773
691 HB3 ARG 89 HB1 ARG 89 1.108 -7.362 4.512
692 HG2 ARG 89 HG2 ARG 89 3.150 -6.345 5.309
693 HG3 ARG 89 HG1 ARG 89 2.248 -5.479 6.554
694 HD2 ARG 89 HD2 ARG 89 2.407 -8.468 6.281
695 HD3 ARG 89 HD1 ARG 89 3.357 -7.496 7.400
696 HE ARG 89 HE ARG 89 1.222 -6.867 8.462
697 HH11 ARG 89 HH11 ARG 89 1.324 -9.758 6.484
698 HH12 ARG 89 HH12 ARG 89 0.002 -10.518 7.305
699 HH21 ARG 89 HH21 ARG 89 -0.523 -7.874 9.545
700 HH22 ARG 89 HH22 ARG 89 -1.042 -9.454 9.054
701 H ILE 90 HN ILE 90 2.935 -4.069 3.505
702 HA ILE 90 HA ILE 90 3.127 -5.466 0.913
703 HB ILE 90 HB ILE 90 4.235 -2.755 1.693
704 HG12 ILE 90 HG12 ILE 90 1.927 -3.485 -0.123
705 HG13 ILE 90 HG11 ILE 90 1.793 -2.735 1.463
706 HG21 ILE 90 HG21 ILE 90 5.653 -3.862 0.063
707 HG22 ILE 90 HG22 ILE 90 4.788 -2.523 -0.691
708 HG23 ILE 90 HG23 ILE 90 4.255 -4.182 -0.965
709 HD11 ILE 90 HD11 ILE 90 1.505 -1.111 -0.318
710 HD12 ILE 90 HD12 ILE 90 3.100 -1.515 -0.955
711 HD13 ILE 90 HD13 ILE 90 2.948 -0.760 0.632
712 H GLU 91 HN GLU 91 4.992 -6.567 0.469
713 HA GLU 91 HA GLU 91 6.937 -6.712 2.643
714 HB2 GLU 91 HB2 GLU 91 6.461 -8.504 0.261
715 HB3 GLU 91 HB1 GLU 91 7.798 -8.713 1.384
716 HG2 GLU 91 HG2 GLU 91 6.145 -8.938 3.220
717 HG3 GLU 91 HG1 GLU 91 4.865 -8.884 2.013
718 H VAL 92 HN VAL 92 8.788 -5.730 2.532
719 HA VAL 92 HA VAL 92 9.602 -4.543 -0.017
720 HB VAL 92 HB VAL 92 10.597 -3.941 2.777
721 HG11 VAL 92 HG11 VAL 92 11.110 -2.540 0.153
722 HG12 VAL 92 HG12 VAL 92 12.282 -3.466 1.092
723 HG13 VAL 92 HG13 VAL 92 11.627 -1.961 1.737
724 HG21 VAL 92 HG21 VAL 92 8.293 -3.254 2.554
725 HG22 VAL 92 HG22 VAL 92 8.642 -2.463 1.017
726 HG23 VAL 92 HG23 VAL 92 9.328 -1.824 2.512
727 H LEU 93 HN LEU 93 11.204 -5.393 -1.123
728 HA LEU 93 HA LEU 93 13.050 -7.227 0.245
729 HB2 LEU 93 HB2 LEU 93 11.682 -8.227 -1.551
730 HB3 LEU 93 HB1 LEU 93 12.327 -7.057 -2.684
731 HG LEU 93 HG LEU 93 14.567 -8.013 -2.419
732 HD11 LEU 93 HD11 LEU 93 13.213 -10.001 -0.601
733 HD12 LEU 93 HD12 LEU 93 14.389 -8.780 -0.117
734 HD13 LEU 93 HD13 LEU 93 14.876 -10.099 -1.181
735 HD21 LEU 93 HD21 LEU 93 12.443 -10.060 -3.045
736 HD22 LEU 93 HD22 LEU 93 14.136 -10.150 -3.526
737 HD23 LEU 93 HD23 LEU 93 13.105 -8.872 -4.168
738 H GLU 94 HN GLU 94 14.602 -5.861 0.917
739 HA GLU 94 HA GLU 94 15.500 -3.650 -0.670
740 HB2 GLU 94 HB2 GLU 94 16.722 -4.754 1.861
741 HB3 GLU 94 HB1 GLU 94 16.936 -3.141 1.194
742 HG2 GLU 94 HG2 GLU 94 14.560 -2.675 1.563
743 HG3 GLU 94 HG1 GLU 94 14.360 -4.285 2.252
744 H GLY 95 HN GLY 95 16.058 -6.816 -0.988
745 HA2 GLY 95 HA2 GLY 95 17.490 -7.555 -2.766
746 HA3 GLY 95 HA1 GLY 95 18.656 -6.334 -2.276
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -16.803 0.935 17.008
2 H2 MET 1 HT2 MET 1 -16.979 2.599 17.233
3 H3 MET 1 HT3 MET 1 -16.558 1.613 18.537
4 HA MET 1 HA MET 1 -14.653 2.832 17.726
5 HB2 MET 1 HB2 MET 1 -14.607 -0.146 17.200
6 HB3 MET 1 HB1 MET 1 -13.170 0.859 17.292
7 HG2 MET 1 HG2 MET 1 -13.675 1.409 19.601
8 HG3 MET 1 HG1 MET 1 -15.156 0.458 19.516
9 HE1 MET 1 HE1 MET 1 -11.243 0.343 19.269
10 HE2 MET 1 HE2 MET 1 -11.726 -0.547 17.826
11 HE3 MET 1 HE3 MET 1 -10.935 -1.390 19.157
12 H ALA 2 HN ALA 2 -15.707 3.969 15.833
13 HA ALA 2 HA ALA 2 -15.624 2.794 13.247
14 HB1 ALA 2 HB1 ALA 2 -16.048 5.049 12.419
15 HB2 ALA 2 HB2 ALA 2 -15.696 5.710 14.016
16 HB3 ALA 2 HB3 ALA 2 -17.100 4.670 13.783
17 H HIS 3 HN HIS 3 -13.803 2.187 12.298
18 HA HIS 3 HA HIS 3 -11.300 3.492 12.986
19 HB2 HIS 3 HB2 HIS 3 -11.923 1.007 11.386
20 HB3 HIS 3 HB1 HIS 3 -10.295 1.644 11.584
21 HD1 HIS 3 HD1 HIS 3 -12.777 -0.505 13.200
22 HD2 HIS 3 HD2 HIS 3 -9.400 1.635 14.345
23 HE1 HIS 3 HE1 HIS 3 -12.101 -1.446 15.432
24 HE2 HIS 3 HE2 HIS 3 -9.986 -0.220 16.044
25 H HIS 4 HN HIS 4 -13.230 4.938 11.384
26 HA HIS 4 HA HIS 4 -11.396 5.707 9.290
27 HB2 HIS 4 HB2 HIS 4 -12.991 5.640 7.477
28 HB3 HIS 4 HB1 HIS 4 -12.881 4.037 8.186
29 HD1 HIS 4 HD1 HIS 4 -15.276 6.472 7.074
30 HD2 HIS 4 HD2 HIS 4 -15.187 3.554 10.038
31 HE1 HIS 4 HE1 HIS 4 -17.678 6.041 7.677
32 HE2 HIS 4 HE2 HIS 4 -17.593 4.376 9.563
33 H HIS 5 HN HIS 5 -11.107 7.779 9.614
34 HA HIS 5 HA HIS 5 -13.200 9.400 10.808
35 HB2 HIS 5 HB2 HIS 5 -10.356 10.027 9.996
36 HB3 HIS 5 HB1 HIS 5 -11.458 11.226 10.665
37 HD1 HIS 5 HD1 HIS 5 -9.119 8.570 11.628
38 HD2 HIS 5 HD2 HIS 5 -12.251 10.660 13.394
39 HE1 HIS 5 HE1 HIS 5 -8.900 8.158 14.098
40 HE2 HIS 5 HE2 HIS 5 -10.900 9.294 15.123
41 H HIS 6 HN HIS 6 -12.107 8.535 7.740
42 HA HIS 6 HA HIS 6 -13.185 10.872 6.403
43 HB2 HIS 6 HB2 HIS 6 -12.020 8.278 5.374
44 HB3 HIS 6 HB1 HIS 6 -12.689 9.514 4.317
45 HD1 HIS 6 HD1 HIS 6 -10.935 10.957 3.358
46 HD2 HIS 6 HD2 HIS 6 -9.912 9.614 7.151
47 HE1 HIS 6 HE1 HIS 6 -8.652 11.902 3.813
48 HE2 HIS 6 HE2 HIS 6 -8.155 11.250 6.196
49 H HIS 7 HN HIS 7 -15.246 11.089 5.872
50 HA HIS 7 HA HIS 7 -16.992 8.739 6.086
51 HB2 HIS 7 HB2 HIS 7 -17.592 11.698 6.169
52 HB3 HIS 7 HB1 HIS 7 -18.842 10.461 6.121
53 HD1 HIS 7 HD1 HIS 7 -16.219 11.922 8.368
54 HD2 HIS 7 HD2 HIS 7 -19.269 9.103 8.510
55 HE1 HIS 7 HE1 HIS 7 -16.492 11.339 10.800
56 HE2 HIS 7 HE2 HIS 7 -18.267 9.554 10.848
57 H HIS 8 HN HIS 8 -15.355 10.390 3.788
58 HA HIS 8 HA HIS 8 -17.406 9.927 1.733
59 HB2 HIS 8 HB2 HIS 8 -14.877 11.582 1.669
60 HB3 HIS 8 HB1 HIS 8 -15.847 11.245 0.245
61 HD1 HIS 8 HD1 HIS 8 -15.930 13.973 0.275
62 HD2 HIS 8 HD2 HIS 8 -18.121 11.981 3.191
63 HE1 HIS 8 HE1 HIS 8 -17.599 15.649 1.131
64 HE2 HIS 8 HE2 HIS 8 -19.029 14.362 2.754
65 H VAL 9 HN VAL 9 -16.158 7.715 2.882
66 HA VAL 9 HA VAL 9 -13.933 6.808 1.391
67 HB VAL 9 HB VAL 9 -16.020 5.283 2.951
68 HG11 VAL 9 HG11 VAL 9 -15.053 3.869 1.169
69 HG12 VAL 9 HG12 VAL 9 -14.609 3.328 2.788
70 HG13 VAL 9 HG13 VAL 9 -13.445 4.215 1.803
71 HG21 VAL 9 HG21 VAL 9 -14.152 5.009 4.552
72 HG22 VAL 9 HG22 VAL 9 -14.615 6.694 4.311
73 HG23 VAL 9 HG23 VAL 9 -13.165 6.057 3.528
74 H ASP 10 HN ASP 10 -13.822 6.161 -0.619
75 HA ASP 10 HA ASP 10 -16.332 5.668 -2.070
76 HB2 ASP 10 HB2 ASP 10 -13.658 6.600 -3.144
77 HB3 ASP 10 HB1 ASP 10 -15.123 6.373 -4.090
78 H ASP 11 HN ASP 11 -16.508 3.947 -3.437
79 HA ASP 11 HA ASP 11 -14.682 1.734 -3.149
80 HB2 ASP 11 HB2 ASP 11 -17.145 1.424 -3.362
81 HB3 ASP 11 HB1 ASP 11 -17.069 2.087 -4.987
82 H ASP 12 HN ASP 12 -15.058 4.450 -5.093
83 HA ASP 12 HA ASP 12 -13.853 5.394 -6.745
84 HB2 ASP 12 HB2 ASP 12 -11.900 4.516 -5.449
85 HB3 ASP 12 HB1 ASP 12 -11.923 3.083 -6.468
86 H ASP 13 HN ASP 13 -13.025 2.050 -7.554
87 HA ASP 13 HA ASP 13 -15.053 1.723 -9.494
88 HB2 ASP 13 HB2 ASP 13 -13.549 3.425 -10.635
89 HB3 ASP 13 HB1 ASP 13 -12.319 2.166 -10.695
90 H LYS 14 HN LYS 14 -15.251 -0.241 -8.479
91 HA LYS 14 HA LYS 14 -13.048 -2.033 -8.153
92 HB2 LYS 14 HB2 LYS 14 -15.147 -1.908 -6.718
93 HB3 LYS 14 HB1 LYS 14 -15.984 -2.722 -8.025
94 HG2 LYS 14 HG2 LYS 14 -13.522 -3.961 -6.885
95 HG3 LYS 14 HG1 LYS 14 -15.034 -4.062 -5.988
96 HD2 LYS 14 HD2 LYS 14 -14.587 -5.014 -8.818
97 HD3 LYS 14 HD1 LYS 14 -14.672 -6.046 -7.387
98 HE2 LYS 14 HE2 LYS 14 -16.882 -4.324 -8.523
99 HE3 LYS 14 HE1 LYS 14 -16.792 -6.079 -8.556
100 HZ1 LYS 14 HZ1 LYS 14 -16.967 -6.117 -6.162
101 HZ2 LYS 14 HZ2 LYS 14 -18.271 -5.269 -6.818
102 HZ3 LYS 14 HZ3 LYS 14 -16.997 -4.428 -6.097
103 H MET 15 HN MET 15 -12.253 -2.064 -10.315
104 HA MET 15 HA MET 15 -13.567 -4.156 -11.892
105 HB2 MET 15 HB2 MET 15 -12.516 -1.531 -12.939
106 HB3 MET 15 HB1 MET 15 -12.712 -2.940 -13.972
107 HG2 MET 15 HG2 MET 15 -14.880 -1.515 -12.448
108 HG3 MET 15 HG1 MET 15 -14.609 -1.475 -14.188
109 HE1 MET 15 HE1 MET 15 -14.891 -3.609 -15.769
110 HE2 MET 15 HE2 MET 15 -15.408 -5.191 -15.190
111 HE3 MET 15 HE3 MET 15 -13.830 -4.557 -14.728
112 H GLY 16 HN GLY 16 -12.190 -5.672 -12.687
113 HA2 GLY 16 HA2 GLY 16 -10.146 -6.675 -13.182
114 HA3 GLY 16 HA1 GLY 16 -9.327 -5.202 -12.679
115 H GLY 17 HN GLY 17 -11.415 -5.777 -10.276
116 HA2 GLY 17 HA2 GLY 17 -10.726 -7.951 -8.827
117 HA3 GLY 17 HA1 GLY 17 -9.380 -6.856 -8.548
118 HA PRO 18 HA PRO 18 -13.400 -5.988 -5.847
119 HB2 PRO 18 HB2 PRO 18 -12.335 -7.297 -3.619
120 HB3 PRO 18 HB1 PRO 18 -13.654 -7.883 -4.633
121 HG2 PRO 18 HG2 PRO 18 -10.752 -8.567 -4.711
122 HG3 PRO 18 HG1 PRO 18 -12.163 -9.614 -4.963
123 HD2 PRO 18 HD2 PRO 18 -10.718 -8.770 -7.032
124 HD3 PRO 18 HD1 PRO 18 -12.493 -8.845 -7.143
125 H THR 19 HN THR 19 -13.346 -4.553 -4.073
126 HA THR 19 HA THR 19 -10.823 -3.095 -3.902
127 HB THR 19 HB THR 19 -12.276 -1.292 -2.900
128 HG1 THR 19 HG1 THR 19 -14.602 -1.665 -3.559
129 HG21 THR 19 HG21 THR 19 -11.596 -1.208 -5.232
130 HG22 THR 19 HG22 THR 19 -13.255 -0.636 -5.065
131 HG23 THR 19 HG23 THR 19 -12.939 -2.257 -5.682
132 H VAL 20 HN VAL 20 -9.781 -2.699 -2.033
133 HA VAL 20 HA VAL 20 -10.874 -3.875 0.430
134 HB VAL 20 HB VAL 20 -7.992 -3.513 -0.275
135 HG11 VAL 20 HG11 VAL 20 -8.395 -3.355 2.113
136 HG12 VAL 20 HG12 VAL 20 -7.550 -4.855 1.729
137 HG13 VAL 20 HG13 VAL 20 -9.279 -4.882 2.074
138 HG21 VAL 20 HG21 VAL 20 -8.968 -5.259 -1.649
139 HG22 VAL 20 HG22 VAL 20 -9.637 -6.031 -0.211
140 HG23 VAL 20 HG23 VAL 20 -7.890 -5.962 -0.442
141 H LEU 21 HN LEU 21 -11.414 -2.401 1.908
142 HA LEU 21 HA LEU 21 -10.760 0.336 1.665
143 HB2 LEU 21 HB2 LEU 21 -12.767 -0.369 2.845
144 HB3 LEU 21 HB1 LEU 21 -11.805 -1.229 4.027
145 HG LEU 21 HG LEU 21 -10.897 0.886 4.862
146 HD11 LEU 21 HD11 LEU 21 -12.727 2.185 2.846
147 HD12 LEU 21 HD12 LEU 21 -10.964 2.174 2.790
148 HD13 LEU 21 HD13 LEU 21 -11.798 3.022 4.091
149 HD21 LEU 21 HD21 LEU 21 -12.937 1.742 5.876
150 HD22 LEU 21 HD22 LEU 21 -12.937 -0.021 5.844
151 HD23 LEU 21 HD23 LEU 21 -13.904 0.883 4.678
152 H VAL 22 HN VAL 22 -8.871 1.216 1.977
153 HA VAL 22 HA VAL 22 -6.953 -0.101 3.742
154 HB VAL 22 HB VAL 22 -6.531 2.231 1.871
155 HG11 VAL 22 HG11 VAL 22 -4.176 1.868 2.218
156 HG12 VAL 22 HG12 VAL 22 -4.499 0.458 3.227
157 HG13 VAL 22 HG13 VAL 22 -4.948 2.067 3.792
158 HG21 VAL 22 HG21 VAL 22 -7.115 0.233 0.633
159 HG22 VAL 22 HG22 VAL 22 -5.897 -0.691 1.511
160 HG23 VAL 22 HG23 VAL 22 -5.405 0.604 0.421
161 H LYS 23 HN LYS 23 -6.723 0.549 5.732
162 HA LYS 23 HA LYS 23 -7.493 3.290 6.467
163 HB2 LYS 23 HB2 LYS 23 -7.215 0.787 8.148
164 HB3 LYS 23 HB1 LYS 23 -7.607 2.379 8.788
165 HG2 LYS 23 HG2 LYS 23 -9.706 2.404 7.770
166 HG3 LYS 23 HG1 LYS 23 -9.279 1.110 6.652
167 HD2 LYS 23 HD2 LYS 23 -9.232 -0.482 8.498
168 HD3 LYS 23 HD1 LYS 23 -9.617 0.811 9.636
169 HE2 LYS 23 HE2 LYS 23 -11.773 1.109 8.710
170 HE3 LYS 23 HE1 LYS 23 -11.381 0.128 7.300
171 HZ1 LYS 23 HZ1 LYS 23 -11.359 -1.823 8.631
172 HZ2 LYS 23 HZ2 LYS 23 -12.796 -0.999 8.973
173 HZ3 LYS 23 HZ3 LYS 23 -11.508 -0.940 10.064
174 H ARG 24 HN ARG 24 -4.918 0.961 6.376
175 HA ARG 24 HA ARG 24 -2.972 3.040 6.712
176 HB2 ARG 24 HB2 ARG 24 -1.802 2.033 8.622
177 HB3 ARG 24 HB1 ARG 24 -3.422 2.549 9.067
178 HG2 ARG 24 HG2 ARG 24 -4.221 0.273 8.962
179 HG3 ARG 24 HG1 ARG 24 -2.646 -0.280 8.388
180 HD2 ARG 24 HD2 ARG 24 -2.919 -0.732 10.766
181 HD3 ARG 24 HD1 ARG 24 -1.625 0.432 10.487
182 HE ARG 24 HE ARG 24 -3.829 1.973 10.941
183 HH11 ARG 24 HH11 ARG 24 -2.214 -0.582 12.705
184 HH12 ARG 24 HH12 ARG 24 -2.685 0.019 14.264
185 HH21 ARG 24 HH21 ARG 24 -4.427 2.789 12.989
186 HH22 ARG 24 HH22 ARG 24 -3.929 1.948 14.424
187 H PHE 25 HN PHE 25 -0.782 2.259 6.379
188 HA PHE 25 HA PHE 25 -0.710 -0.240 4.820
189 HB2 PHE 25 HB2 PHE 25 0.981 2.265 4.626
190 HB3 PHE 25 HB1 PHE 25 1.367 0.769 3.785
191 HD1 PHE 25 HD1 PHE 25 -1.400 3.227 4.193
192 HD2 PHE 25 HD2 PHE 25 0.563 0.439 1.656
193 HE1 PHE 25 HE1 PHE 25 -2.840 3.919 2.327
194 HE2 PHE 25 HE2 PHE 25 -0.864 1.128 -0.214
195 HZ PHE 25 HZ PHE 25 -2.616 2.836 0.134
196 H GLN 26 HN GLN 26 0.698 -1.795 5.383
197 HA GLN 26 HA GLN 26 2.540 -1.242 7.620
198 HB2 GLN 26 HB2 GLN 26 0.629 -2.760 8.178
199 HB3 GLN 26 HB1 GLN 26 1.197 -3.866 6.936
200 HG2 GLN 26 HG2 GLN 26 2.027 -4.766 8.895
201 HG3 GLN 26 HG1 GLN 26 3.403 -3.886 8.234
202 HE21 GLN 26 HE21 GLN 26 4.106 -1.991 9.260
203 HE22 GLN 26 HE22 GLN 26 3.606 -1.598 10.869
204 H LEU 27 HN LEU 27 4.651 -1.613 7.205
205 HA LEU 27 HA LEU 27 5.286 -2.913 4.651
206 HB2 LEU 27 HB2 LEU 27 6.814 -0.974 6.380
207 HB3 LEU 27 HB1 LEU 27 7.582 -1.869 5.085
208 HG LEU 27 HG LEU 27 7.051 0.362 4.336
209 HD11 LEU 27 HD11 LEU 27 6.948 -1.282 2.636
210 HD12 LEU 27 HD12 LEU 27 5.587 -0.187 2.395
211 HD13 LEU 27 HD13 LEU 27 5.328 -1.768 3.122
212 HD21 LEU 27 HD21 LEU 27 4.185 -0.278 5.001
213 HD22 LEU 27 HD22 LEU 27 4.751 1.164 4.157
214 HD23 LEU 27 HD23 LEU 27 5.215 0.883 5.836
215 H SER 28 HN SER 28 6.375 -4.736 4.558
216 HA SER 28 HA SER 28 7.477 -5.837 7.057
217 HB2 SER 28 HB2 SER 28 5.416 -7.006 6.409
218 HB3 SER 28 HB1 SER 28 6.074 -7.303 4.803
219 HG SER 28 HG SER 28 6.255 -9.083 6.322
220 H GLY 29 HN GLY 29 9.611 -6.146 6.953
221 HA2 GLY 29 HA2 GLY 29 11.490 -7.239 5.934
222 HA3 GLY 29 HA1 GLY 29 10.784 -6.899 4.361
223 H ASN 30 HN ASN 30 10.166 -4.120 5.598
224 HA ASN 30 HA ASN 30 12.417 -2.800 4.473
225 HB2 ASN 30 HB2 ASN 30 11.347 -0.725 5.295
226 HB3 ASN 30 HB1 ASN 30 10.222 -1.744 4.408
227 HD21 ASN 30 HD21 ASN 30 9.875 0.351 6.505
228 HD22 ASN 30 HD22 ASN 30 8.885 -0.396 7.712
229 H ARG 31 HN ARG 31 14.280 -2.266 5.376
230 HA ARG 31 HA ARG 31 14.416 -2.173 8.324
231 HB2 ARG 31 HB2 ARG 31 16.457 -3.335 6.424
232 HB3 ARG 31 HB1 ARG 31 16.738 -3.071 8.138
233 HG2 ARG 31 HG2 ARG 31 14.514 -4.806 7.101
234 HG3 ARG 31 HG1 ARG 31 16.131 -5.418 7.445
235 HD2 ARG 31 HD2 ARG 31 14.650 -5.812 9.330
236 HD3 ARG 31 HD1 ARG 31 15.917 -4.670 9.764
237 HE ARG 31 HE ARG 31 13.352 -3.561 8.918
238 HH11 ARG 31 HH11 ARG 31 15.497 -4.422 11.545
239 HH12 ARG 31 HH12 ARG 31 14.734 -3.363 12.686
240 HH21 ARG 31 HH21 ARG 31 12.359 -2.142 10.408
241 HH22 ARG 31 HH22 ARG 31 12.947 -2.061 12.040
242 H GLN 32 HN GLN 32 15.580 -0.959 5.248
243 HA GLN 32 HA GLN 32 17.368 0.955 6.404
244 HB2 GLN 32 HB2 GLN 32 17.619 0.039 4.105
245 HB3 GLN 32 HB1 GLN 32 16.162 0.902 3.633
246 HG2 GLN 32 HG2 GLN 32 18.149 2.102 2.950
247 HG3 GLN 32 HG1 GLN 32 17.229 3.019 4.144
248 HE21 GLN 32 HE21 GLN 32 18.986 4.230 4.774
249 HE22 GLN 32 HE22 GLN 32 20.288 3.577 5.703
250 H PHE 33 HN PHE 33 14.051 1.004 5.225
251 HA PHE 33 HA PHE 33 13.758 3.674 6.419
252 HB2 PHE 33 HB2 PHE 33 12.310 2.617 3.980
253 HB3 PHE 33 HB1 PHE 33 12.036 4.179 4.739
254 HD1 PHE 33 HD2 PHE 33 13.779 5.926 4.642
255 HD2 PHE 33 HD1 PHE 33 14.149 2.261 2.510
256 HE1 PHE 33 HE2 PHE 33 15.529 6.927 3.232
257 HE2 PHE 33 HE1 PHE 33 15.900 3.256 1.098
258 HZ PHE 33 HZ PHE 33 16.594 5.590 1.459
259 H ASP 34 HN ASP 34 11.829 4.070 7.530
260 HA ASP 34 HA ASP 34 10.659 1.635 8.623
261 HB2 ASP 34 HB2 ASP 34 9.764 3.128 10.387
262 HB3 ASP 34 HB1 ASP 34 11.515 3.238 10.232
263 H ASP 35 HN ASP 35 8.267 1.843 9.283
264 HA ASP 35 HA ASP 35 6.742 1.835 6.953
265 HB2 ASP 35 HB2 ASP 35 5.786 2.170 9.801
266 HB3 ASP 35 HB1 ASP 35 4.746 1.808 8.433
267 H ARG 36 HN ARG 36 6.849 4.285 9.524
268 HA ARG 36 HA ARG 36 4.965 6.048 8.518
269 HB2 ARG 36 HB2 ARG 36 5.988 6.239 10.746
270 HB3 ARG 36 HB1 ARG 36 7.501 6.744 10.003
271 HG2 ARG 36 HG2 ARG 36 6.375 8.725 9.092
272 HG3 ARG 36 HG1 ARG 36 4.882 8.225 9.891
273 HD2 ARG 36 HD2 ARG 36 5.981 9.883 11.237
274 HD3 ARG 36 HD1 ARG 36 6.052 8.326 12.056
275 HE ARG 36 HE ARG 36 8.390 8.697 10.521
276 HH11 ARG 36 HH11 ARG 36 6.834 9.853 13.431
277 HH12 ARG 36 HH12 ARG 36 8.323 10.293 14.207
278 HH21 ARG 36 HH21 ARG 36 10.358 9.282 11.534
279 HH22 ARG 36 HH22 ARG 36 10.323 9.963 13.132
280 H ARG 37 HN ARG 37 8.391 5.776 7.750
281 HA ARG 37 HA ARG 37 8.601 8.040 6.090
282 HB2 ARG 37 HB2 ARG 37 10.541 6.819 6.983
283 HB3 ARG 37 HB1 ARG 37 10.136 5.437 5.975
284 HG2 ARG 37 HG2 ARG 37 11.912 6.610 4.922
285 HG3 ARG 37 HG1 ARG 37 10.449 6.897 3.978
286 HD2 ARG 37 HD2 ARG 37 10.168 9.068 5.048
287 HD3 ARG 37 HD1 ARG 37 11.603 8.784 6.028
288 HE ARG 37 HE ARG 37 11.532 9.358 3.162
289 HH11 ARG 37 HH11 ARG 37 13.389 8.765 6.069
290 HH12 ARG 37 HH12 ARG 37 14.872 9.363 5.399
291 HH21 ARG 37 HH21 ARG 37 13.478 10.147 2.270
292 HH22 ARG 37 HH22 ARG 37 14.926 10.138 3.227
293 H LEU 38 HN LEU 38 7.961 4.624 5.292
294 HA LEU 38 HA LEU 38 7.762 5.163 2.492
295 HB2 LEU 38 HB2 LEU 38 7.153 2.752 4.177
296 HB3 LEU 38 HB1 LEU 38 6.762 2.788 2.472
297 HG LEU 38 HG LEU 38 8.820 2.110 1.977
298 HD11 LEU 38 HD11 LEU 38 9.791 4.524 3.479
299 HD12 LEU 38 HD12 LEU 38 9.511 4.378 1.741
300 HD13 LEU 38 HD13 LEU 38 10.815 3.469 2.506
301 HD21 LEU 38 HD21 LEU 38 10.444 1.572 3.787
302 HD22 LEU 38 HD22 LEU 38 8.850 0.855 3.987
303 HD23 LEU 38 HD23 LEU 38 9.305 2.271 4.938
304 H LEU 39 HN LEU 39 5.538 5.122 5.134
305 HA LEU 39 HA LEU 39 3.098 4.776 3.811
306 HB2 LEU 39 HB2 LEU 39 4.010 5.882 6.376
307 HB3 LEU 39 HB1 LEU 39 2.474 6.508 5.816
308 HG LEU 39 HG LEU 39 1.429 4.411 5.957
309 HD11 LEU 39 HD11 LEU 39 3.101 3.063 4.819
310 HD12 LEU 39 HD12 LEU 39 2.636 2.310 6.343
311 HD13 LEU 39 HD13 LEU 39 4.166 3.177 6.219
312 HD21 LEU 39 HD21 LEU 39 1.927 5.452 8.121
313 HD22 LEU 39 HD22 LEU 39 3.417 4.510 8.215
314 HD23 LEU 39 HD23 LEU 39 1.852 3.693 8.228
315 H ALA 40 HN ALA 40 5.117 7.604 4.173
316 HA ALA 40 HA ALA 40 3.283 9.576 3.373
317 HB1 ALA 40 HB1 ALA 40 6.266 9.528 2.902
318 HB2 ALA 40 HB2 ALA 40 5.467 10.078 4.375
319 HB3 ALA 40 HB3 ALA 40 5.224 10.950 2.863
320 H LEU 41 HN LEU 41 5.012 7.197 1.509
321 HA LEU 41 HA LEU 41 4.658 8.417 -1.040
322 HB2 LEU 41 HB2 LEU 41 5.164 5.576 -0.176
323 HB3 LEU 41 HB1 LEU 41 4.979 6.023 -1.862
324 HG LEU 41 HG LEU 41 6.964 7.656 -0.469
325 HD11 LEU 41 HD11 LEU 41 7.564 4.734 -0.860
326 HD12 LEU 41 HD12 LEU 41 7.201 5.458 0.704
327 HD13 LEU 41 HD13 LEU 41 8.629 5.972 -0.196
328 HD21 LEU 41 HD21 LEU 41 6.565 7.550 -2.923
329 HD22 LEU 41 HD22 LEU 41 7.150 5.882 -2.900
330 HD23 LEU 41 HD23 LEU 41 8.230 7.205 -2.457
331 H LEU 42 HN LEU 42 2.644 6.567 1.073
332 HA LEU 42 HA LEU 42 0.634 6.205 -1.049
333 HB2 LEU 42 HB2 LEU 42 0.748 4.870 1.653
334 HB3 LEU 42 HB1 LEU 42 -0.402 4.533 0.381
335 HG LEU 42 HG LEU 42 0.951 2.782 0.009
336 HD11 LEU 42 HD11 LEU 42 1.204 4.095 -2.009
337 HD12 LEU 42 HD12 LEU 42 2.670 3.176 -1.669
338 HD13 LEU 42 HD13 LEU 42 2.612 4.906 -1.323
339 HD21 LEU 42 HD21 LEU 42 3.286 2.646 0.646
340 HD22 LEU 42 HD22 LEU 42 2.280 3.180 1.991
341 HD23 LEU 42 HD23 LEU 42 3.271 4.346 1.111
342 H HIS 43 HN HIS 43 1.337 8.534 0.831
343 HA HIS 43 HA HIS 43 -0.487 8.898 2.856
344 HB2 HIS 43 HB2 HIS 43 0.161 11.166 2.867
345 HB3 HIS 43 HB1 HIS 43 1.541 10.319 2.192
346 HD1 HIS 43 HD1 HIS 43 -0.812 13.031 1.474
347 HD2 HIS 43 HD2 HIS 43 1.755 10.588 -0.698
348 HE1 HIS 43 HE1 HIS 43 -0.551 14.143 -0.760
349 HE2 HIS 43 HE2 HIS 43 0.855 12.553 -2.116
350 H ASP 44 HN ASP 44 -1.099 9.043 -0.533
351 HA ASP 44 HA ASP 44 -3.536 10.637 -0.193
352 HB2 ASP 44 HB2 ASP 44 -3.462 10.780 -2.687
353 HB3 ASP 44 HB1 ASP 44 -2.036 11.447 -1.898
354 H LEU 45 HN LEU 45 -2.883 7.478 0.039
355 HA LEU 45 HA LEU 45 -4.885 6.564 -1.875
356 HB2 LEU 45 HB2 LEU 45 -2.874 5.046 -0.242
357 HB3 LEU 45 HB1 LEU 45 -4.073 4.280 -1.266
358 HG LEU 45 HG LEU 45 -1.894 6.147 -2.203
359 HD11 LEU 45 HD11 LEU 45 -2.237 3.177 -2.571
360 HD12 LEU 45 HD12 LEU 45 -1.081 3.948 -1.486
361 HD13 LEU 45 HD13 LEU 45 -0.938 4.169 -3.231
362 HD21 LEU 45 HD21 LEU 45 -2.625 5.468 -4.457
363 HD22 LEU 45 HD22 LEU 45 -3.865 6.369 -3.590
364 HD23 LEU 45 HD23 LEU 45 -3.992 4.617 -3.738
365 HA PRO 46 HA PRO 46 -6.553 4.330 1.929
366 HB2 PRO 46 HB2 PRO 46 -5.856 4.976 4.430
367 HB3 PRO 46 HB1 PRO 46 -4.867 3.920 3.429
368 HG2 PRO 46 HG2 PRO 46 -4.498 6.823 4.030
369 HG3 PRO 46 HG1 PRO 46 -3.290 5.525 3.958
370 HD2 PRO 46 HD2 PRO 46 -3.759 7.301 1.919
371 HD3 PRO 46 HD1 PRO 46 -3.092 5.676 1.684
372 H GLY 47 HN GLY 47 -8.315 4.685 3.479
373 HA2 GLY 47 HA2 GLY 47 -10.003 6.140 4.349
374 HA3 GLY 47 HA1 GLY 47 -9.335 7.449 3.377
375 H GLN 48 HN GLN 48 -9.290 4.748 1.558
376 HA GLN 48 HA GLN 48 -12.037 4.881 0.599
377 HB2 GLN 48 HB2 GLN 48 -9.578 5.524 -1.001
378 HB3 GLN 48 HB1 GLN 48 -10.990 4.830 -1.784
379 HG2 GLN 48 HG2 GLN 48 -12.335 6.695 -1.185
380 HG3 GLN 48 HG1 GLN 48 -11.074 7.341 -0.136
381 HE21 GLN 48 HE21 GLN 48 -12.478 8.488 -2.485
382 HE22 GLN 48 HE22 GLN 48 -11.217 8.950 -3.581
383 H GLU 49 HN GLU 49 -12.354 3.100 -1.102
384 HA GLU 49 HA GLU 49 -10.935 0.727 -0.144
385 HB2 GLU 49 HB2 GLU 49 -13.473 0.917 -1.787
386 HB3 GLU 49 HB1 GLU 49 -12.774 -0.560 -1.137
387 HG2 GLU 49 HG2 GLU 49 -13.072 0.379 1.140
388 HG3 GLU 49 HG1 GLU 49 -13.927 1.738 0.420
389 H LEU 50 HN LEU 50 -9.105 0.665 -1.231
390 HA LEU 50 HA LEU 50 -8.955 1.205 -4.074
391 HB2 LEU 50 HB2 LEU 50 -6.900 0.338 -2.039
392 HB3 LEU 50 HB1 LEU 50 -6.532 0.658 -3.723
393 HG LEU 50 HG LEU 50 -5.854 2.596 -2.622
394 HD11 LEU 50 HD11 LEU 50 -7.368 4.363 -3.297
395 HD12 LEU 50 HD12 LEU 50 -8.671 3.194 -3.499
396 HD13 LEU 50 HD13 LEU 50 -7.252 3.122 -4.545
397 HD21 LEU 50 HD21 LEU 50 -8.404 2.507 -1.018
398 HD22 LEU 50 HD22 LEU 50 -7.182 3.777 -0.931
399 HD23 LEU 50 HD23 LEU 50 -6.781 2.131 -0.440
400 H ASN 51 HN ASN 51 -8.627 -0.345 -5.668
401 HA ASN 51 HA ASN 51 -9.233 -3.083 -4.856
402 HB2 ASN 51 HB2 ASN 51 -9.661 -3.591 -7.147
403 HB3 ASN 51 HB1 ASN 51 -10.394 -2.023 -6.838
404 HD21 ASN 51 HD21 ASN 51 -9.603 -0.226 -7.853
405 HD22 ASN 51 HD22 ASN 51 -8.446 -0.302 -9.137
406 H LEU 52 HN LEU 52 -7.953 -4.874 -5.898
407 HA LEU 52 HA LEU 52 -5.465 -4.936 -4.799
408 HB2 LEU 52 HB2 LEU 52 -6.779 -6.526 -6.928
409 HB3 LEU 52 HB1 LEU 52 -5.054 -6.743 -6.715
410 HG LEU 52 HG LEU 52 -6.270 -8.434 -5.479
411 HD11 LEU 52 HD11 LEU 52 -5.231 -8.169 -3.338
412 HD12 LEU 52 HD12 LEU 52 -5.112 -6.425 -3.557
413 HD13 LEU 52 HD13 LEU 52 -4.155 -7.508 -4.569
414 HD21 LEU 52 HD21 LEU 52 -8.366 -7.259 -5.127
415 HD22 LEU 52 HD22 LEU 52 -7.572 -6.131 -4.028
416 HD23 LEU 52 HD23 LEU 52 -7.719 -7.833 -3.589
417 H SER 53 HN SER 53 -6.131 -4.054 -8.192
418 HA SER 53 HA SER 53 -3.476 -3.877 -9.043
419 HB2 SER 53 HB2 SER 53 -5.852 -2.244 -9.962
420 HB3 SER 53 HB1 SER 53 -4.329 -2.413 -10.833
421 HG SER 53 HG SER 53 -4.795 -4.466 -11.311
422 H GLN 54 HN GLN 54 -5.502 -1.584 -7.348
423 HA GLN 54 HA GLN 54 -3.693 0.620 -7.497
424 HB2 GLN 54 HB2 GLN 54 -6.078 0.015 -5.740
425 HB3 GLN 54 HB1 GLN 54 -5.212 1.543 -5.683
426 HG2 GLN 54 HG2 GLN 54 -5.738 1.999 -7.993
427 HG3 GLN 54 HG1 GLN 54 -6.500 0.423 -8.162
428 HE21 GLN 54 HE21 GLN 54 -7.549 3.136 -8.571
429 HE22 GLN 54 HE22 GLN 54 -8.948 3.253 -7.563
430 H LEU 55 HN LEU 55 -4.356 -1.921 -5.140
431 HA LEU 55 HA LEU 55 -2.794 -1.014 -3.060
432 HB2 LEU 55 HB2 LEU 55 -3.730 -3.703 -3.910
433 HB3 LEU 55 HB1 LEU 55 -2.578 -3.586 -2.604
434 HG LEU 55 HG LEU 55 -4.179 -1.946 -1.535
435 HD11 LEU 55 HD11 LEU 55 -6.043 -3.098 -3.549
436 HD12 LEU 55 HD12 LEU 55 -5.475 -1.429 -3.453
437 HD13 LEU 55 HD13 LEU 55 -6.494 -2.093 -2.171
438 HD21 LEU 55 HD21 LEU 55 -3.890 -4.208 -0.691
439 HD22 LEU 55 HD22 LEU 55 -5.041 -4.809 -1.885
440 HD23 LEU 55 HD23 LEU 55 -5.585 -3.731 -0.601
441 H HIS 56 HN HIS 56 -1.796 -3.336 -5.625
442 HA HIS 56 HA HIS 56 0.870 -3.381 -4.590
443 HB2 HIS 56 HB2 HIS 56 1.481 -4.694 -6.564
444 HB3 HIS 56 HB1 HIS 56 0.064 -5.338 -5.757
445 HD1 HIS 56 HD1 HIS 56 1.007 -3.357 -8.848
446 HD2 HIS 56 HD2 HIS 56 -2.102 -5.678 -7.354
447 HE1 HIS 56 HE1 HIS 56 -0.569 -3.696 -10.776
448 HE2 HIS 56 HE2 HIS 56 -2.331 -5.269 -9.901
449 H ALA 57 HN ALA 57 -0.778 -1.399 -6.890
450 HA ALA 57 HA ALA 57 1.442 -0.247 -8.180
451 HB1 ALA 57 HB1 ALA 57 -0.874 0.126 -8.911
452 HB2 ALA 57 HB2 ALA 57 -0.013 1.645 -8.662
453 HB3 ALA 57 HB3 ALA 57 -1.172 1.080 -7.458
454 H ALA 58 HN ALA 58 -0.048 0.305 -5.068
455 HA ALA 58 HA ALA 58 1.375 2.597 -4.273
456 HB1 ALA 58 HB1 ALA 58 0.774 1.938 -2.001
457 HB2 ALA 58 HB2 ALA 58 0.317 0.336 -2.577
458 HB3 ALA 58 HB3 ALA 58 -0.598 1.753 -3.093
459 H ALA 59 HN ALA 59 2.118 -0.834 -4.136
460 HA ALA 59 HA ALA 59 4.460 -0.643 -2.565
461 HB1 ALA 59 HB1 ALA 59 3.689 -2.741 -4.590
462 HB2 ALA 59 HB2 ALA 59 3.260 -2.746 -2.880
463 HB3 ALA 59 HB3 ALA 59 4.949 -2.899 -3.366
464 H ALA 60 HN ALA 60 3.824 -0.367 -5.998
465 HA ALA 60 HA ALA 60 6.471 -0.448 -6.926
466 HB1 ALA 60 HB1 ALA 60 4.501 -0.635 -8.383
467 HB2 ALA 60 HB2 ALA 60 5.625 0.603 -8.941
468 HB3 ALA 60 HB3 ALA 60 4.146 1.068 -8.100
469 H ARG 61 HN ARG 61 4.525 2.160 -5.608
470 HA ARG 61 HA ARG 61 6.190 4.333 -6.196
471 HB2 ARG 61 HB2 ARG 61 4.521 3.907 -3.707
472 HB3 ARG 61 HB1 ARG 61 5.155 5.447 -4.266
473 HG2 ARG 61 HG2 ARG 61 3.746 5.336 -6.240
474 HG3 ARG 61 HG1 ARG 61 3.142 3.757 -5.732
475 HD2 ARG 61 HD2 ARG 61 2.238 4.759 -3.696
476 HD3 ARG 61 HD1 ARG 61 2.840 6.333 -4.199
477 HE ARG 61 HE ARG 61 1.054 5.080 -6.086
478 HH11 ARG 61 HH11 ARG 61 1.331 7.186 -3.304
479 HH12 ARG 61 HH12 ARG 61 -0.202 7.965 -3.568
480 HH21 ARG 61 HH21 ARG 61 -0.995 6.077 -6.420
481 HH22 ARG 61 HH22 ARG 61 -1.522 7.324 -5.332
482 H ILE 62 HN ILE 62 6.218 2.009 -3.563
483 HA ILE 62 HA ILE 62 8.351 3.308 -2.138
484 HB ILE 62 HB ILE 62 7.132 0.564 -1.799
485 HG12 ILE 62 HG12 ILE 62 6.690 3.108 -0.230
486 HG13 ILE 62 HG11 ILE 62 5.580 2.462 -1.434
487 HG21 ILE 62 HG21 ILE 62 8.169 0.604 0.443
488 HG22 ILE 62 HG22 ILE 62 9.014 2.090 -0.003
489 HG23 ILE 62 HG23 ILE 62 9.356 0.587 -0.863
490 HD11 ILE 62 HD11 ILE 62 4.978 1.986 0.929
491 HD12 ILE 62 HD12 ILE 62 6.418 0.977 1.031
492 HD13 ILE 62 HD13 ILE 62 5.126 0.559 -0.095
493 H GLY 63 HN GLY 63 7.974 0.544 -4.280
494 HA2 GLY 63 HA2 GLY 63 10.550 -0.514 -4.155
495 HA3 GLY 63 HA1 GLY 63 9.497 -0.579 -5.563
496 H ASP 64 HN ASP 64 9.260 2.033 -6.265
497 HA ASP 64 HA ASP 64 11.741 2.569 -7.543
498 HB2 ASP 64 HB2 ASP 64 9.517 3.197 -8.481
499 HB3 ASP 64 HB1 ASP 64 9.362 4.415 -7.219
500 H PHE 65 HN PHE 65 10.157 3.781 -4.663
501 HA PHE 65 HA PHE 65 11.691 6.013 -4.075
502 HB2 PHE 65 HB2 PHE 65 9.696 5.343 -2.792
503 HB3 PHE 65 HB1 PHE 65 10.572 3.961 -2.142
504 HD1 PHE 65 HD1 PHE 65 10.292 7.626 -2.102
505 HD2 PHE 65 HD2 PHE 65 12.096 4.206 -0.328
506 HE1 PHE 65 HE1 PHE 65 11.047 9.008 -0.215
507 HE2 PHE 65 HE2 PHE 65 12.858 5.583 1.562
508 HZ PHE 65 HZ PHE 65 12.333 7.988 1.620
509 H TYR 66 HN TYR 66 12.276 2.630 -3.160
510 HA TYR 66 HA TYR 66 14.736 3.049 -1.867
511 HB2 TYR 66 HB2 TYR 66 13.296 0.712 -3.006
512 HB3 TYR 66 HB1 TYR 66 15.021 0.524 -2.725
513 HD1 TYR 66 HD2 TYR 66 11.974 1.761 -0.986
514 HD2 TYR 66 HD1 TYR 66 15.695 -0.268 -0.636
515 HE1 TYR 66 HE2 TYR 66 11.501 1.321 1.379
516 HE2 TYR 66 HE1 TYR 66 15.235 -0.710 1.737
517 HH TYR 66 HH TYR 66 12.176 0.349 3.242
518 H GLN 67 HN GLN 67 14.015 2.134 -5.227
519 HA GLN 67 HA GLN 67 16.634 1.865 -6.157
520 HB2 GLN 67 HB2 GLN 67 14.314 2.983 -7.735
521 HB3 GLN 67 HB1 GLN 67 15.735 2.172 -8.378
522 HG2 GLN 67 HG2 GLN 67 15.035 0.088 -7.388
523 HG3 GLN 67 HG1 GLN 67 13.662 0.882 -6.623
524 HE21 GLN 67 HE21 GLN 67 13.277 2.562 -9.051
525 HE22 GLN 67 HE22 GLN 67 12.490 1.525 -10.188
526 H GLU 68 HN GLU 68 14.547 4.686 -5.941
527 HA GLU 68 HA GLU 68 16.174 6.593 -7.153
528 HB2 GLU 68 HB2 GLU 68 13.817 6.943 -6.501
529 HB3 GLU 68 HB1 GLU 68 14.298 6.949 -4.810
530 HG2 GLU 68 HG2 GLU 68 15.727 8.921 -5.292
531 HG3 GLU 68 HG1 GLU 68 15.048 8.952 -6.919
532 H LYS 69 HN LYS 69 16.162 5.330 -3.874
533 HA LYS 69 HA LYS 69 18.100 7.254 -2.947
534 HB2 LYS 69 HB2 LYS 69 17.068 4.776 -1.566
535 HB3 LYS 69 HB1 LYS 69 17.951 6.092 -0.813
536 HG2 LYS 69 HG2 LYS 69 15.171 6.148 -1.941
537 HG3 LYS 69 HG1 LYS 69 15.666 6.366 -0.263
538 HD2 LYS 69 HD2 LYS 69 16.763 8.460 -0.840
539 HD3 LYS 69 HD1 LYS 69 16.337 8.232 -2.539
540 HE2 LYS 69 HE2 LYS 69 13.936 8.173 -1.812
541 HE3 LYS 69 HE1 LYS 69 14.477 8.687 -0.217
542 HZ1 LYS 69 HZ1 LYS 69 13.817 10.608 -1.392
543 HZ2 LYS 69 HZ2 LYS 69 14.697 10.179 -2.772
544 HZ3 LYS 69 HZ3 LYS 69 15.508 10.642 -1.358
545 H GLY 70 HN GLY 70 18.395 4.679 -4.903
546 HA2 GLY 70 HA2 GLY 70 20.643 4.207 -5.690
547 HA3 GLY 70 HA1 GLY 70 21.173 4.228 -4.017
548 H TYR 71 HN TYR 71 18.464 2.706 -3.588
549 HA TYR 71 HA TYR 71 19.757 0.120 -3.604
550 HB2 TYR 71 HB2 TYR 71 16.978 0.851 -2.659
551 HB3 TYR 71 HB1 TYR 71 17.858 -0.630 -2.289
552 HD1 TYR 71 HD1 TYR 71 19.876 -0.513 -0.853
553 HD2 TYR 71 HD2 TYR 71 17.324 2.830 -1.418
554 HE1 TYR 71 HE1 TYR 71 20.810 0.525 1.160
555 HE2 TYR 71 HE2 TYR 71 18.250 3.885 0.594
556 HH TYR 71 HH TYR 71 19.393 3.292 2.616
557 H VAL 72 HN VAL 72 19.807 0.214 -6.015
558 HA VAL 72 HA VAL 72 17.407 -0.006 -7.521
559 HB VAL 72 HB VAL 72 20.193 -0.865 -8.322
560 HG11 VAL 72 HG11 VAL 72 19.411 -0.476 -10.611
561 HG12 VAL 72 HG12 VAL 72 17.802 -0.104 -9.995
562 HG13 VAL 72 HG13 VAL 72 18.464 -1.727 -9.805
563 HG21 VAL 72 HG21 VAL 72 20.440 1.360 -9.284
564 HG22 VAL 72 HG22 VAL 72 20.149 1.461 -7.547
565 HG23 VAL 72 HG23 VAL 72 18.845 1.810 -8.682
566 H LEU 73 HN LEU 73 19.358 -2.266 -5.776
567 HA LEU 73 HA LEU 73 18.254 -4.595 -7.082
568 HB2 LEU 73 HB2 LEU 73 19.970 -4.274 -4.631
569 HB3 LEU 73 HB1 LEU 73 19.457 -5.825 -5.261
570 HG LEU 73 HG LEU 73 21.116 -3.842 -6.815
571 HD11 LEU 73 HD11 LEU 73 22.362 -4.641 -4.884
572 HD12 LEU 73 HD12 LEU 73 22.997 -5.352 -6.368
573 HD13 LEU 73 HD13 LEU 73 21.968 -6.308 -5.302
574 HD21 LEU 73 HD21 LEU 73 19.841 -5.330 -8.231
575 HD22 LEU 73 HD22 LEU 73 20.398 -6.727 -7.312
576 HD23 LEU 73 HD23 LEU 73 21.543 -5.786 -8.267
577 H ALA 74 HN ALA 74 17.029 -2.411 -4.985
578 HA ALA 74 HA ALA 74 15.530 -4.352 -3.378
579 HB1 ALA 74 HB1 ALA 74 14.887 -2.402 -2.016
580 HB2 ALA 74 HB2 ALA 74 15.848 -1.369 -3.075
581 HB3 ALA 74 HB3 ALA 74 16.636 -2.616 -2.109
582 H ARG 75 HN ARG 75 13.321 -4.437 -3.402
583 HA ARG 75 HA ARG 75 11.786 -2.527 -4.936
584 HB2 ARG 75 HB2 ARG 75 12.601 -4.225 -6.611
585 HB3 ARG 75 HB1 ARG 75 11.706 -5.446 -5.720
586 HG2 ARG 75 HG2 ARG 75 10.417 -4.753 -7.617
587 HG3 ARG 75 HG1 ARG 75 9.625 -4.183 -6.147
588 HD2 ARG 75 HD2 ARG 75 10.648 -1.966 -6.490
589 HD3 ARG 75 HD1 ARG 75 11.368 -2.546 -7.987
590 HE ARG 75 HE ARG 75 8.524 -2.890 -7.920
591 HH11 ARG 75 HH11 ARG 75 11.110 -0.639 -8.636
592 HH12 ARG 75 HH12 ARG 75 10.127 0.364 -9.653
593 HH21 ARG 75 HH21 ARG 75 7.232 -1.586 -9.282
594 HH22 ARG 75 HH22 ARG 75 7.922 -0.174 -10.022
595 H ALA 76 HN ALA 76 9.746 -2.353 -4.160
596 HA ALA 76 HA ALA 76 8.985 -4.188 -2.008
597 HB1 ALA 76 HB1 ALA 76 9.095 -1.824 -1.399
598 HB2 ALA 76 HB2 ALA 76 7.445 -2.434 -1.284
599 HB3 ALA 76 HB3 ALA 76 7.925 -1.439 -2.659
600 H PHE 77 HN PHE 77 7.193 -5.420 -2.147
601 HA PHE 77 HA PHE 77 5.346 -4.949 -4.378
602 HB2 PHE 77 HB2 PHE 77 5.311 -7.305 -4.959
603 HB3 PHE 77 HB1 PHE 77 6.961 -6.711 -5.064
604 HD1 PHE 77 HD1 PHE 77 8.619 -7.364 -3.361
605 HD2 PHE 77 HD2 PHE 77 4.682 -8.982 -3.400
606 HE1 PHE 77 HE1 PHE 77 9.356 -9.188 -1.882
607 HE2 PHE 77 HE2 PHE 77 5.407 -10.803 -1.921
608 HZ PHE 77 HZ PHE 77 7.750 -10.909 -1.157
609 H LEU 78 HN LEU 78 3.223 -5.772 -4.018
610 HA LEU 78 HA LEU 78 2.677 -6.193 -1.160
611 HB2 LEU 78 HB2 LEU 78 1.721 -4.153 -2.376
612 HB3 LEU 78 HB1 LEU 78 0.688 -5.280 -3.232
613 HG LEU 78 HG LEU 78 0.691 -5.176 -0.228
614 HD11 LEU 78 HD11 LEU 78 -0.812 -3.424 -2.155
615 HD12 LEU 78 HD12 LEU 78 0.233 -2.925 -0.826
616 HD13 LEU 78 HD13 LEU 78 -1.320 -3.688 -0.489
617 HD21 LEU 78 HD21 LEU 78 -0.392 -7.087 -1.289
618 HD22 LEU 78 HD22 LEU 78 -1.367 -5.998 -2.276
619 HD23 LEU 78 HD23 LEU 78 -1.582 -6.033 -0.525
620 HA PRO 79 HA PRO 79 1.674 -10.305 -2.672
621 HB2 PRO 79 HB2 PRO 79 1.498 -11.452 -0.228
622 HB3 PRO 79 HB1 PRO 79 3.047 -11.105 -1.006
623 HG2 PRO 79 HG2 PRO 79 1.605 -9.565 1.115
624 HG3 PRO 79 HG1 PRO 79 3.333 -9.936 0.981
625 HD2 PRO 79 HD2 PRO 79 2.268 -7.534 0.283
626 HD3 PRO 79 HD1 PRO 79 3.719 -8.211 -0.481
627 H ALA 80 HN ALA 80 -0.351 -10.553 -3.399
628 HA ALA 80 HA ALA 80 -2.643 -9.720 -1.841
629 HB1 ALA 80 HB1 ALA 80 -3.952 -10.391 -3.788
630 HB2 ALA 80 HB2 ALA 80 -2.517 -11.112 -4.517
631 HB3 ALA 80 HB3 ALA 80 -2.597 -9.367 -4.267
632 H GLN 81 HN GLN 81 -1.564 -11.436 -0.259
633 HA GLN 81 HA GLN 81 -2.432 -14.161 -0.836
634 HB2 GLN 81 HB2 GLN 81 -0.150 -13.759 0.012
635 HB3 GLN 81 HB1 GLN 81 -0.827 -13.043 1.467
636 HG2 GLN 81 HG2 GLN 81 -1.885 -15.197 2.002
637 HG3 GLN 81 HG1 GLN 81 -1.112 -15.901 0.583
638 HE21 GLN 81 HE21 GLN 81 0.081 -17.364 1.753
639 HE22 GLN 81 HE22 GLN 81 1.406 -16.904 2.763
640 H GLU 82 HN GLU 82 -2.801 -11.707 1.706
641 HA GLU 82 HA GLU 82 -5.316 -13.008 2.490
642 HB2 GLU 82 HB2 GLU 82 -3.267 -13.502 3.998
643 HB3 GLU 82 HB1 GLU 82 -3.414 -11.831 4.510
644 HG2 GLU 82 HG2 GLU 82 -5.686 -13.778 4.710
645 HG3 GLU 82 HG1 GLU 82 -4.478 -13.597 5.976
646 H ILE 83 HN ILE 83 -3.409 -10.206 3.538
647 HA ILE 83 HA ILE 83 -3.883 -8.010 3.764
648 HB ILE 83 HB ILE 83 -5.775 -8.396 1.459
649 HG12 ILE 83 HG12 ILE 83 -2.823 -7.725 1.486
650 HG13 ILE 83 HG11 ILE 83 -3.538 -9.224 0.900
651 HG21 ILE 83 HG21 ILE 83 -6.076 -6.282 2.643
652 HG22 ILE 83 HG22 ILE 83 -5.366 -6.012 1.051
653 HG23 ILE 83 HG23 ILE 83 -4.350 -5.943 2.491
654 HD11 ILE 83 HD11 ILE 83 -4.659 -8.003 -0.878
655 HD12 ILE 83 HD12 ILE 83 -2.913 -7.741 -0.924
656 HD13 ILE 83 HD13 ILE 83 -3.977 -6.493 -0.275
657 H GLN 84 HN GLN 84 -4.853 -8.568 5.799
658 HA GLN 84 HA GLN 84 -7.578 -8.857 6.258
659 HB2 GLN 84 HB2 GLN 84 -7.128 -7.918 8.505
660 HB3 GLN 84 HB1 GLN 84 -5.984 -9.163 8.047
661 HG2 GLN 84 HG2 GLN 84 -5.327 -6.274 7.663
662 HG3 GLN 84 HG1 GLN 84 -5.135 -7.044 9.235
663 HE21 GLN 84 HE21 GLN 84 -3.912 -6.746 6.018
664 HE22 GLN 84 HE22 GLN 84 -2.486 -7.706 6.245
665 H ASP 85 HN ASP 85 -9.270 -7.531 6.161
666 HA ASP 85 HA ASP 85 -9.219 -5.207 4.669
667 HB2 ASP 85 HB2 ASP 85 -11.509 -4.840 5.355
668 HB3 ASP 85 HB1 ASP 85 -11.256 -6.564 5.122
669 H GLY 86 HN GLY 86 -8.564 -3.223 5.046
670 HA2 GLY 86 HA2 GLY 86 -8.614 -1.240 6.431
671 HA3 GLY 86 HA1 GLY 86 -8.446 -2.285 7.835
672 H THR 87 HN THR 87 -6.363 -3.947 6.872
673 HA THR 87 HA THR 87 -4.162 -1.990 6.835
674 HB THR 87 HB THR 87 -4.102 -4.736 8.093
675 HG1 THR 87 HG1 THR 87 -5.524 -3.418 9.271
676 HG21 THR 87 HG21 THR 87 -2.069 -3.904 9.185
677 HG22 THR 87 HG22 THR 87 -2.229 -2.380 8.314
678 HG23 THR 87 HG23 THR 87 -1.918 -3.872 7.429
679 H VAL 88 HN VAL 88 -3.007 -2.077 5.019
680 HA VAL 88 HA VAL 88 -2.899 -4.609 3.537
681 HB VAL 88 HB VAL 88 -2.088 -3.306 1.628
682 HG11 VAL 88 HG11 VAL 88 -4.610 -2.223 2.873
683 HG12 VAL 88 HG12 VAL 88 -4.471 -3.640 1.832
684 HG13 VAL 88 HG13 VAL 88 -4.152 -2.031 1.181
685 HG21 VAL 88 HG21 VAL 88 -2.036 -0.878 1.684
686 HG22 VAL 88 HG22 VAL 88 -0.930 -1.549 2.887
687 HG23 VAL 88 HG23 VAL 88 -2.489 -0.891 3.390
688 H ARG 89 HN ARG 89 -0.965 -5.649 3.192
689 HA ARG 89 HA ARG 89 1.326 -4.467 4.607
690 HB2 ARG 89 HB2 ARG 89 0.259 -6.619 5.513
691 HB3 ARG 89 HB1 ARG 89 1.012 -7.407 4.129
692 HG2 ARG 89 HG2 ARG 89 3.196 -6.533 4.864
693 HG3 ARG 89 HG1 ARG 89 2.414 -5.862 6.292
694 HD2 ARG 89 HD2 ARG 89 2.407 -8.769 5.539
695 HD3 ARG 89 HD1 ARG 89 3.517 -8.024 6.683
696 HE ARG 89 HE ARG 89 1.249 -7.345 7.810
697 HH11 ARG 89 HH11 ARG 89 2.069 -10.419 6.332
698 HH12 ARG 89 HH12 ARG 89 1.028 -11.335 7.372
699 HH21 ARG 89 HH21 ARG 89 -0.106 -8.549 9.179
700 HH22 ARG 89 HH22 ARG 89 -0.212 -10.272 8.996
701 H ILE 90 HN ILE 90 2.858 -3.792 3.345
702 HA ILE 90 HA ILE 90 3.258 -5.067 0.727
703 HB ILE 90 HB ILE 90 4.238 -2.401 1.761
704 HG12 ILE 90 HG12 ILE 90 2.138 -3.070 -0.307
705 HG13 ILE 90 HG11 ILE 90 1.818 -2.470 1.315
706 HG21 ILE 90 HG21 ILE 90 5.828 -3.364 0.200
707 HG22 ILE 90 HG22 ILE 90 4.994 -1.998 -0.539
708 HG23 ILE 90 HG23 ILE 90 4.537 -3.647 -0.967
709 HD11 ILE 90 HD11 ILE 90 3.283 -0.988 -0.853
710 HD12 ILE 90 HD12 ILE 90 2.950 -0.383 0.769
711 HD13 ILE 90 HD13 ILE 90 1.619 -0.708 -0.343
712 H GLU 91 HN GLU 91 5.060 -6.236 0.364
713 HA GLU 91 HA GLU 91 6.977 -6.428 2.559
714 HB2 GLU 91 HB2 GLU 91 6.558 -8.190 0.143
715 HB3 GLU 91 HB1 GLU 91 7.809 -8.444 1.353
716 HG2 GLU 91 HG2 GLU 91 5.954 -8.557 3.060
717 HG3 GLU 91 HG1 GLU 91 4.833 -8.623 1.701
718 H VAL 92 HN VAL 92 8.867 -5.509 2.472
719 HA VAL 92 HA VAL 92 9.727 -4.326 -0.069
720 HB VAL 92 HB VAL 92 10.716 -3.698 2.718
721 HG11 VAL 92 HG11 VAL 92 12.316 -3.174 0.959
722 HG12 VAL 92 HG12 VAL 92 11.666 -1.701 1.679
723 HG13 VAL 92 HG13 VAL 92 11.085 -2.243 0.103
724 HG21 VAL 92 HG21 VAL 92 9.370 -1.625 2.512
725 HG22 VAL 92 HG22 VAL 92 8.387 -3.089 2.577
726 HG23 VAL 92 HG23 VAL 92 8.656 -2.274 1.034
727 H LEU 93 HN LEU 93 11.035 -5.685 -1.137
728 HA LEU 93 HA LEU 93 13.002 -7.260 0.325
729 HB2 LEU 93 HB2 LEU 93 11.799 -8.318 -1.532
730 HB3 LEU 93 HB1 LEU 93 12.388 -7.084 -2.630
731 HG LEU 93 HG LEU 93 14.710 -7.886 -2.222
732 HD11 LEU 93 HD11 LEU 93 14.395 -8.882 -0.031
733 HD12 LEU 93 HD12 LEU 93 15.025 -10.075 -1.167
734 HD13 LEU 93 HD13 LEU 93 13.319 -10.098 -0.719
735 HD21 LEU 93 HD21 LEU 93 14.504 -9.906 -3.573
736 HD22 LEU 93 HD22 LEU 93 13.434 -8.636 -4.165
737 HD23 LEU 93 HD23 LEU 93 12.778 -9.973 -3.223
738 H GLU 94 HN GLU 94 14.535 -5.877 1.080
739 HA GLU 94 HA GLU 94 15.485 -3.683 -0.500
740 HB2 GLU 94 HB2 GLU 94 16.719 -4.788 2.020
741 HB3 GLU 94 HB1 GLU 94 16.931 -3.178 1.348
742 HG2 GLU 94 HG2 GLU 94 14.531 -2.740 1.751
743 HG3 GLU 94 HG1 GLU 94 14.412 -4.318 2.520
744 H GLY 95 HN GLY 95 16.531 -6.932 0.208
745 HA2 GLY 95 HA2 GLY 95 17.957 -7.406 -2.043
746 HA3 GLY 95 HA1 GLY 95 19.125 -6.604 -0.999
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 -23.291 5.451 16.383
2 H2 MET 1 HT2 MET 1 -22.521 5.063 14.930
3 H3 MET 1 HT3 MET 1 -24.205 5.169 14.991
4 HA MET 1 HA MET 1 -23.271 7.099 13.928
5 HB2 MET 1 HB2 MET 1 -24.368 8.814 15.283
6 HB3 MET 1 HB1 MET 1 -25.342 7.354 15.208
7 HG2 MET 1 HG2 MET 1 -24.623 6.726 17.433
8 HG3 MET 1 HG1 MET 1 -23.565 8.134 17.510
9 HE1 MET 1 HE1 MET 1 -27.192 8.025 15.940
10 HE2 MET 1 HE2 MET 1 -28.175 8.404 17.354
11 HE3 MET 1 HE3 MET 1 -27.276 6.888 17.285
12 H ALA 2 HN ALA 2 -21.566 6.057 16.687
13 HA ALA 2 HA ALA 2 -20.100 8.437 17.226
14 HB1 ALA 2 HB1 ALA 2 -19.392 5.562 17.814
15 HB2 ALA 2 HB2 ALA 2 -20.280 6.651 18.880
16 HB3 ALA 2 HB3 ALA 2 -18.592 6.979 18.492
17 H HIS 3 HN HIS 3 -19.671 5.692 15.095
18 HA HIS 3 HA HIS 3 -17.082 6.583 14.179
19 HB2 HIS 3 HB2 HIS 3 -17.793 4.156 14.286
20 HB3 HIS 3 HB1 HIS 3 -18.870 4.486 12.934
21 HD1 HIS 3 HD1 HIS 3 -17.840 3.462 10.936
22 HD2 HIS 3 HD2 HIS 3 -15.021 5.363 13.328
23 HE1 HIS 3 HE1 HIS 3 -15.654 3.227 9.722
24 HE2 HIS 3 HE2 HIS 3 -13.940 4.270 11.249
25 H HIS 4 HN HIS 4 -17.474 8.640 13.434
26 HA HIS 4 HA HIS 4 -19.660 9.313 11.755
27 HB2 HIS 4 HB2 HIS 4 -17.118 10.831 12.357
28 HB3 HIS 4 HB1 HIS 4 -18.528 11.502 11.545
29 HD1 HIS 4 HD1 HIS 4 -17.061 11.101 14.824
30 HD2 HIS 4 HD2 HIS 4 -20.915 11.438 13.300
31 HE1 HIS 4 HE1 HIS 4 -18.505 11.758 16.772
32 HE2 HIS 4 HE2 HIS 4 -20.821 12.015 15.817
33 H HIS 5 HN HIS 5 -19.879 8.923 9.680
34 HA HIS 5 HA HIS 5 -17.504 8.381 8.077
35 HB2 HIS 5 HB2 HIS 5 -19.134 7.638 6.321
36 HB3 HIS 5 HB1 HIS 5 -19.190 6.711 7.810
37 HD1 HIS 5 HD1 HIS 5 -21.344 6.903 9.249
38 HD2 HIS 5 HD2 HIS 5 -21.470 9.034 5.681
39 HE1 HIS 5 HE1 HIS 5 -23.761 7.486 8.892
40 HE2 HIS 5 HE2 HIS 5 -23.796 8.879 6.795
41 H HIS 6 HN HIS 6 -16.576 10.243 7.561
42 HA HIS 6 HA HIS 6 -18.146 12.512 6.667
43 HB2 HIS 6 HB2 HIS 6 -16.183 12.843 8.129
44 HB3 HIS 6 HB1 HIS 6 -15.150 12.153 6.887
45 HD1 HIS 6 HD1 HIS 6 -14.068 13.801 5.393
46 HD2 HIS 6 HD2 HIS 6 -17.520 15.325 7.137
47 HE1 HIS 6 HE1 HIS 6 -14.183 16.203 4.671
48 HE2 HIS 6 HE2 HIS 6 -16.236 17.128 5.793
49 H HIS 7 HN HIS 7 -16.246 9.936 5.327
50 HA HIS 7 HA HIS 7 -16.965 10.843 2.662
51 HB2 HIS 7 HB2 HIS 7 -14.673 10.465 1.785
52 HB3 HIS 7 HB1 HIS 7 -14.774 11.816 2.902
53 HD1 HIS 7 HD1 HIS 7 -12.637 9.134 2.112
54 HD2 HIS 7 HD2 HIS 7 -13.964 10.792 5.684
55 HE1 HIS 7 HE1 HIS 7 -10.963 8.432 3.848
56 HE2 HIS 7 HE2 HIS 7 -11.876 9.310 6.023
57 H HIS 8 HN HIS 8 -18.431 9.086 2.880
58 HA HIS 8 HA HIS 8 -17.472 6.395 3.056
59 HB2 HIS 8 HB2 HIS 8 -19.774 6.941 3.699
60 HB3 HIS 8 HB1 HIS 8 -20.119 7.478 2.060
61 HD1 HIS 8 HD1 HIS 8 -21.349 5.795 0.737
62 HD2 HIS 8 HD2 HIS 8 -18.913 4.012 3.597
63 HE1 HIS 8 HE1 HIS 8 -21.752 3.324 0.520
64 HE2 HIS 8 HE2 HIS 8 -20.352 2.270 2.330
65 H VAL 9 HN VAL 9 -15.858 6.210 1.519
66 HA VAL 9 HA VAL 9 -16.318 6.816 -1.239
67 HB VAL 9 HB VAL 9 -14.122 5.156 0.006
68 HG11 VAL 9 HG11 VAL 9 -14.360 4.720 -2.374
69 HG12 VAL 9 HG12 VAL 9 -12.892 5.649 -2.067
70 HG13 VAL 9 HG13 VAL 9 -14.325 6.450 -2.712
71 HG21 VAL 9 HG21 VAL 9 -14.167 8.078 -0.747
72 HG22 VAL 9 HG22 VAL 9 -12.775 7.190 -0.127
73 HG23 VAL 9 HG23 VAL 9 -14.192 7.437 0.894
74 H ASP 10 HN ASP 10 -18.186 5.688 -1.721
75 HA ASP 10 HA ASP 10 -18.470 2.875 -1.480
76 HB2 ASP 10 HB2 ASP 10 -20.366 4.460 -1.749
77 HB3 ASP 10 HB1 ASP 10 -19.829 4.792 -3.391
78 H ASP 11 HN ASP 11 -17.623 1.303 -2.700
79 HA ASP 11 HA ASP 11 -15.537 1.788 -4.461
80 HB2 ASP 11 HB2 ASP 11 -15.654 -0.593 -5.072
81 HB3 ASP 11 HB1 ASP 11 -15.764 -0.353 -3.334
82 H ASP 12 HN ASP 12 -15.444 2.503 -6.424
83 HA ASP 12 HA ASP 12 -17.844 2.385 -8.115
84 HB2 ASP 12 HB2 ASP 12 -16.863 4.291 -9.331
85 HB3 ASP 12 HB1 ASP 12 -17.082 4.651 -7.623
86 H ASP 13 HN ASP 13 -15.023 0.796 -7.694
87 HA ASP 13 HA ASP 13 -14.903 0.031 -10.516
88 HB2 ASP 13 HB2 ASP 13 -13.082 1.684 -10.056
89 HB3 ASP 13 HB1 ASP 13 -12.440 0.581 -8.844
90 H LYS 14 HN LYS 14 -14.736 -2.087 -10.820
91 HA LYS 14 HA LYS 14 -13.312 -3.709 -8.886
92 HB2 LYS 14 HB2 LYS 14 -15.962 -3.692 -8.529
93 HB3 LYS 14 HB1 LYS 14 -15.898 -4.858 -9.842
94 HG2 LYS 14 HG2 LYS 14 -14.262 -5.136 -7.336
95 HG3 LYS 14 HG1 LYS 14 -15.884 -5.801 -7.498
96 HD2 LYS 14 HD2 LYS 14 -13.712 -6.439 -9.474
97 HD3 LYS 14 HD1 LYS 14 -13.893 -7.348 -7.967
98 HE2 LYS 14 HE2 LYS 14 -16.059 -6.981 -10.034
99 HE3 LYS 14 HE1 LYS 14 -15.025 -8.403 -9.902
100 HZ1 LYS 14 HZ1 LYS 14 -16.890 -7.423 -7.806
101 HZ2 LYS 14 HZ2 LYS 14 -15.894 -8.784 -7.679
102 HZ3 LYS 14 HZ3 LYS 14 -17.147 -8.757 -8.815
103 H MET 15 HN MET 15 -12.395 -2.822 -11.219
104 HA MET 15 HA MET 15 -12.718 -5.073 -13.092
105 HB2 MET 15 HB2 MET 15 -11.494 -2.336 -13.529
106 HB3 MET 15 HB1 MET 15 -11.609 -3.596 -14.750
107 HG2 MET 15 HG2 MET 15 -14.014 -3.477 -14.711
108 HG3 MET 15 HG1 MET 15 -13.967 -2.321 -13.381
109 HE1 MET 15 HE1 MET 15 -11.600 -2.450 -16.532
110 HE2 MET 15 HE2 MET 15 -12.461 -1.388 -17.644
111 HE3 MET 15 HE3 MET 15 -13.170 -2.932 -17.173
112 H GLY 16 HN GLY 16 -10.527 -3.422 -11.000
113 HA2 GLY 16 HA2 GLY 16 -8.364 -5.249 -11.815
114 HA3 GLY 16 HA1 GLY 16 -8.128 -3.725 -10.967
115 H GLY 17 HN GLY 17 -10.352 -6.430 -10.380
116 HA2 GLY 17 HA2 GLY 17 -10.292 -7.982 -8.627
117 HA3 GLY 17 HA1 GLY 17 -8.943 -7.104 -7.922
118 HA PRO 18 HA PRO 18 -13.134 -6.047 -5.825
119 HB2 PRO 18 HB2 PRO 18 -12.639 -7.413 -3.493
120 HB3 PRO 18 HB1 PRO 18 -13.619 -8.042 -4.819
121 HG2 PRO 18 HG2 PRO 18 -10.762 -8.600 -4.142
122 HG3 PRO 18 HG1 PRO 18 -12.020 -9.716 -4.706
123 HD2 PRO 18 HD2 PRO 18 -10.118 -8.758 -6.353
124 HD3 PRO 18 HD1 PRO 18 -11.773 -9.077 -6.912
125 H THR 19 HN THR 19 -13.070 -4.196 -4.682
126 HA THR 19 HA THR 19 -10.525 -3.084 -4.057
127 HB THR 19 HB THR 19 -11.867 -1.136 -3.218
128 HG1 THR 19 HG1 THR 19 -13.853 -1.770 -2.690
129 HG21 THR 19 HG21 THR 19 -11.050 -1.182 -5.495
130 HG22 THR 19 HG22 THR 19 -12.668 -0.481 -5.457
131 HG23 THR 19 HG23 THR 19 -12.439 -2.143 -6.002
132 H VAL 20 HN VAL 20 -9.644 -2.518 -2.158
133 HA VAL 20 HA VAL 20 -10.863 -3.614 0.280
134 HB VAL 20 HB VAL 20 -7.977 -3.011 -0.193
135 HG11 VAL 20 HG11 VAL 20 -8.724 -2.927 2.152
136 HG12 VAL 20 HG12 VAL 20 -7.565 -4.220 1.849
137 HG13 VAL 20 HG13 VAL 20 -9.281 -4.594 2.000
138 HG21 VAL 20 HG21 VAL 20 -8.641 -4.826 -1.653
139 HG22 VAL 20 HG22 VAL 20 -9.382 -5.668 -0.292
140 HG23 VAL 20 HG23 VAL 20 -7.634 -5.442 -0.340
141 H LEU 21 HN LEU 21 -11.612 -2.098 1.662
142 HA LEU 21 HA LEU 21 -10.995 0.666 1.325
143 HB2 LEU 21 HB2 LEU 21 -13.147 0.030 2.244
144 HB3 LEU 21 HB1 LEU 21 -12.370 -0.784 3.589
145 HG LEU 21 HG LEU 21 -11.436 1.459 4.274
146 HD11 LEU 21 HD11 LEU 21 -13.474 2.496 2.315
147 HD12 LEU 21 HD12 LEU 21 -11.723 2.602 2.131
148 HD13 LEU 21 HD13 LEU 21 -12.524 3.458 3.450
149 HD21 LEU 21 HD21 LEU 21 -14.413 1.042 4.258
150 HD22 LEU 21 HD22 LEU 21 -13.565 2.210 5.271
151 HD23 LEU 21 HD23 LEU 21 -13.258 0.485 5.471
152 H VAL 22 HN VAL 22 -8.845 0.938 1.491
153 HA VAL 22 HA VAL 22 -7.283 -0.143 3.612
154 HB VAL 22 HB VAL 22 -6.604 2.078 1.681
155 HG11 VAL 22 HG11 VAL 22 -5.168 1.965 3.708
156 HG12 VAL 22 HG12 VAL 22 -4.293 1.614 2.219
157 HG13 VAL 22 HG13 VAL 22 -4.770 0.298 3.292
158 HG21 VAL 22 HG21 VAL 22 -7.191 0.041 0.506
159 HG22 VAL 22 HG22 VAL 22 -6.077 -0.884 1.512
160 HG23 VAL 22 HG23 VAL 22 -5.455 0.334 0.397
161 H LYS 23 HN LYS 23 -6.904 0.649 5.541
162 HA LYS 23 HA LYS 23 -7.719 3.415 6.139
163 HB2 LYS 23 HB2 LYS 23 -7.476 1.049 8.012
164 HB3 LYS 23 HB1 LYS 23 -8.014 2.662 8.456
165 HG2 LYS 23 HG2 LYS 23 -9.999 2.439 7.152
166 HG3 LYS 23 HG1 LYS 23 -9.429 0.925 6.450
167 HD2 LYS 23 HD2 LYS 23 -9.479 -0.112 8.673
168 HD3 LYS 23 HD1 LYS 23 -10.080 1.400 9.356
169 HE2 LYS 23 HE2 LYS 23 -11.902 -0.168 8.993
170 HE3 LYS 23 HE1 LYS 23 -12.073 1.241 7.947
171 HZ1 LYS 23 HZ1 LYS 23 -11.129 -0.068 6.131
172 HZ2 LYS 23 HZ2 LYS 23 -12.535 -0.778 6.741
173 HZ3 LYS 23 HZ3 LYS 23 -11.025 -1.422 7.144
174 H ARG 24 HN ARG 24 -5.181 1.072 6.147
175 HA ARG 24 HA ARG 24 -3.197 3.067 6.657
176 HB2 ARG 24 HB2 ARG 24 -2.214 1.962 8.647
177 HB3 ARG 24 HB1 ARG 24 -3.810 2.625 8.971
178 HG2 ARG 24 HG2 ARG 24 -4.806 0.458 8.889
179 HG3 ARG 24 HG1 ARG 24 -3.310 -0.265 8.300
180 HD2 ARG 24 HD2 ARG 24 -3.636 -0.730 10.669
181 HD3 ARG 24 HD1 ARG 24 -2.213 0.273 10.407
182 HE ARG 24 HE ARG 24 -4.423 1.926 10.933
183 HH11 ARG 24 HH11 ARG 24 -2.315 -0.353 12.549
184 HH12 ARG 24 HH12 ARG 24 -2.506 0.380 14.108
185 HH21 ARG 24 HH21 ARG 24 -4.684 2.894 12.982
186 HH22 ARG 24 HH22 ARG 24 -3.857 2.227 14.357
187 H PHE 25 HN PHE 25 -1.045 2.269 6.370
188 HA PHE 25 HA PHE 25 -0.939 -0.276 4.899
189 HB2 PHE 25 HB2 PHE 25 0.753 2.219 4.638
190 HB3 PHE 25 HB1 PHE 25 1.156 0.693 3.863
191 HD1 PHE 25 HD1 PHE 25 -1.661 3.113 4.143
192 HD2 PHE 25 HD2 PHE 25 0.440 0.331 1.711
193 HE1 PHE 25 HE1 PHE 25 -3.067 3.733 2.228
194 HE2 PHE 25 HE2 PHE 25 -0.953 0.949 -0.207
195 HZ PHE 25 HZ PHE 25 -2.733 2.620 0.044
196 H GLN 26 HN GLN 26 0.754 -1.692 5.312
197 HA GLN 26 HA GLN 26 2.502 -1.030 7.585
198 HB2 GLN 26 HB2 GLN 26 0.728 -2.547 8.355
199 HB3 GLN 26 HB1 GLN 26 1.124 -3.681 7.072
200 HG2 GLN 26 HG2 GLN 26 2.109 -4.509 9.054
201 HG3 GLN 26 HG1 GLN 26 3.419 -3.854 8.073
202 HE21 GLN 26 HE21 GLN 26 4.793 -3.465 9.767
203 HE22 GLN 26 HE22 GLN 26 4.502 -2.254 10.961
204 H LEU 27 HN LEU 27 4.633 -1.544 7.278
205 HA LEU 27 HA LEU 27 5.279 -2.779 4.691
206 HB2 LEU 27 HB2 LEU 27 6.853 -0.943 6.492
207 HB3 LEU 27 HB1 LEU 27 7.577 -1.795 5.145
208 HG LEU 27 HG LEU 27 7.120 0.459 4.480
209 HD11 LEU 27 HD11 LEU 27 5.150 -1.452 3.255
210 HD12 LEU 27 HD12 LEU 27 6.822 -1.186 2.755
211 HD13 LEU 27 HD13 LEU 27 5.627 0.095 2.562
212 HD21 LEU 27 HD21 LEU 27 4.878 1.414 4.454
213 HD22 LEU 27 HD22 LEU 27 5.384 1.012 6.095
214 HD23 LEU 27 HD23 LEU 27 4.248 -0.033 5.242
215 H SER 28 HN SER 28 6.674 -4.485 4.554
216 HA SER 28 HA SER 28 7.516 -5.714 7.090
217 HB2 SER 28 HB2 SER 28 5.497 -6.833 6.166
218 HB3 SER 28 HB1 SER 28 6.387 -7.163 4.683
219 HG SER 28 HG SER 28 6.918 -8.149 7.287
220 H GLY 29 HN GLY 29 9.596 -6.407 7.124
221 HA2 GLY 29 HA2 GLY 29 11.621 -7.205 6.286
222 HA3 GLY 29 HA1 GLY 29 10.981 -7.044 4.659
223 H ASN 30 HN ASN 30 10.286 -4.194 6.004
224 HA ASN 30 HA ASN 30 12.427 -2.832 4.683
225 HB2 ASN 30 HB2 ASN 30 11.299 -0.776 5.476
226 HB3 ASN 30 HB1 ASN 30 10.194 -1.871 4.655
227 HD21 ASN 30 HD21 ASN 30 9.799 0.273 6.690
228 HD22 ASN 30 HD22 ASN 30 8.880 -0.480 7.949
229 H ARG 31 HN ARG 31 14.267 -2.081 5.509
230 HA ARG 31 HA ARG 31 14.462 -1.729 8.419
231 HB2 ARG 31 HB2 ARG 31 15.412 -3.939 7.812
232 HB3 ARG 31 HB1 ARG 31 16.541 -3.133 6.736
233 HG2 ARG 31 HG2 ARG 31 17.676 -3.676 8.764
234 HG3 ARG 31 HG1 ARG 31 17.468 -1.926 8.696
235 HD2 ARG 31 HD2 ARG 31 15.591 -3.752 10.180
236 HD3 ARG 31 HD1 ARG 31 17.005 -3.018 10.927
237 HE ARG 31 HE ARG 31 15.892 -0.831 10.148
238 HH11 ARG 31 HH11 ARG 31 14.193 -3.685 11.243
239 HH12 ARG 31 HH12 ARG 31 12.820 -2.803 11.826
240 HH21 ARG 31 HH21 ARG 31 14.085 0.342 10.929
241 HH22 ARG 31 HH22 ARG 31 12.765 -0.514 11.664
242 H GLN 32 HN GLN 32 15.659 -1.019 5.198
243 HA GLN 32 HA GLN 32 17.528 0.970 5.972
244 HB2 GLN 32 HB2 GLN 32 16.043 0.585 3.366
245 HB3 GLN 32 HB1 GLN 32 17.391 1.687 3.592
246 HG2 GLN 32 HG2 GLN 32 17.461 -1.308 3.856
247 HG3 GLN 32 HG1 GLN 32 18.139 -0.351 2.540
248 HE21 GLN 32 HE21 GLN 32 19.162 1.728 4.285
249 HE22 GLN 32 HE22 GLN 32 20.529 1.056 5.100
250 H PHE 33 HN PHE 33 14.102 1.028 5.183
251 HA PHE 33 HA PHE 33 13.980 3.737 6.312
252 HB2 PHE 33 HB2 PHE 33 12.379 2.713 3.956
253 HB3 PHE 33 HB1 PHE 33 12.142 4.267 4.744
254 HD1 PHE 33 HD2 PHE 33 14.126 5.888 4.764
255 HD2 PHE 33 HD1 PHE 33 13.887 2.500 2.203
256 HE1 PHE 33 HE2 PHE 33 15.795 6.903 3.272
257 HE2 PHE 33 HE1 PHE 33 15.561 3.508 0.708
258 HZ PHE 33 HZ PHE 33 16.523 5.710 1.252
259 H ASP 34 HN ASP 34 12.397 4.079 7.784
260 HA ASP 34 HA ASP 34 11.122 1.780 8.913
261 HB2 ASP 34 HB2 ASP 34 10.207 3.355 10.573
262 HB3 ASP 34 HB1 ASP 34 11.941 3.554 10.372
263 H ASP 35 HN ASP 35 8.752 1.806 9.471
264 HA ASP 35 HA ASP 35 7.218 1.602 7.186
265 HB2 ASP 35 HB2 ASP 35 6.342 2.070 10.036
266 HB3 ASP 35 HB1 ASP 35 5.208 1.767 8.732
267 H ARG 36 HN ARG 36 7.091 4.233 9.556
268 HA ARG 36 HA ARG 36 5.313 5.963 8.428
269 HB2 ARG 36 HB2 ARG 36 6.230 6.478 10.521
270 HB3 ARG 36 HB1 ARG 36 7.870 6.457 9.892
271 HG2 ARG 36 HG2 ARG 36 6.994 8.426 8.409
272 HG3 ARG 36 HG1 ARG 36 5.795 8.569 9.703
273 HD2 ARG 36 HD2 ARG 36 7.760 9.966 10.109
274 HD3 ARG 36 HD1 ARG 36 7.550 8.725 11.343
275 HE ARG 36 HE ARG 36 9.243 7.476 9.747
276 HH11 ARG 36 HH11 ARG 36 9.294 10.791 10.859
277 HH12 ARG 36 HH12 ARG 36 11.015 10.944 10.728
278 HH21 ARG 36 HH21 ARG 36 11.509 7.651 9.596
279 HH22 ARG 36 HH22 ARG 36 12.281 9.156 10.013
280 H ARG 37 HN ARG 37 8.769 5.754 7.678
281 HA ARG 37 HA ARG 37 8.902 7.892 5.879
282 HB2 ARG 37 HB2 ARG 37 10.854 6.736 6.897
283 HB3 ARG 37 HB1 ARG 37 10.549 5.355 5.855
284 HG2 ARG 37 HG2 ARG 37 12.347 6.700 4.969
285 HG3 ARG 37 HG1 ARG 37 10.956 6.760 3.888
286 HD2 ARG 37 HD2 ARG 37 10.357 8.936 4.648
287 HD3 ARG 37 HD1 ARG 37 11.518 8.860 5.970
288 HE ARG 37 HE ARG 37 13.287 8.969 4.283
289 HH11 ARG 37 HH11 ARG 37 10.064 9.868 3.254
290 HH12 ARG 37 HH12 ARG 37 10.622 10.968 2.037
291 HH21 ARG 37 HH21 ARG 37 14.026 10.400 2.664
292 HH22 ARG 37 HH22 ARG 37 12.877 11.271 1.697
293 H LEU 38 HN LEU 38 7.976 4.537 5.408
294 HA LEU 38 HA LEU 38 7.796 4.885 2.537
295 HB2 LEU 38 HB2 LEU 38 7.321 2.556 4.373
296 HB3 LEU 38 HB1 LEU 38 6.852 2.493 2.689
297 HG LEU 38 HG LEU 38 8.902 1.819 2.145
298 HD11 LEU 38 HD11 LEU 38 10.882 3.241 2.459
299 HD12 LEU 38 HD12 LEU 38 9.921 4.319 3.470
300 HD13 LEU 38 HD13 LEU 38 9.514 4.109 1.765
301 HD21 LEU 38 HD21 LEU 38 9.560 2.204 5.052
302 HD22 LEU 38 HD22 LEU 38 10.599 1.388 3.885
303 HD23 LEU 38 HD23 LEU 38 9.014 0.722 4.265
304 H LEU 39 HN LEU 39 5.722 4.965 5.311
305 HA LEU 39 HA LEU 39 3.227 4.531 4.079
306 HB2 LEU 39 HB2 LEU 39 3.911 6.219 6.487
307 HB3 LEU 39 HB1 LEU 39 2.285 5.769 6.018
308 HG LEU 39 HG LEU 39 4.462 3.861 6.874
309 HD11 LEU 39 HD11 LEU 39 3.521 5.270 8.678
310 HD12 LEU 39 HD12 LEU 39 3.168 3.554 8.873
311 HD13 LEU 39 HD13 LEU 39 1.918 4.652 8.282
312 HD21 LEU 39 HD21 LEU 39 2.696 2.173 6.828
313 HD22 LEU 39 HD22 LEU 39 2.977 2.859 5.228
314 HD23 LEU 39 HD23 LEU 39 1.574 3.364 6.171
315 H ALA 40 HN ALA 40 5.211 7.392 4.394
316 HA ALA 40 HA ALA 40 3.339 9.311 3.563
317 HB1 ALA 40 HB1 ALA 40 6.321 9.328 3.098
318 HB2 ALA 40 HB2 ALA 40 5.519 9.851 4.578
319 HB3 ALA 40 HB3 ALA 40 5.247 10.726 3.071
320 H LEU 41 HN LEU 41 5.057 6.900 1.769
321 HA LEU 41 HA LEU 41 4.790 8.091 -0.801
322 HB2 LEU 41 HB2 LEU 41 5.268 5.283 0.153
323 HB3 LEU 41 HB1 LEU 41 5.056 5.643 -1.550
324 HG LEU 41 HG LEU 41 7.088 7.255 -0.117
325 HD11 LEU 41 HD11 LEU 41 7.657 4.420 -0.936
326 HD12 LEU 41 HD12 LEU 41 7.354 4.900 0.727
327 HD13 LEU 41 HD13 LEU 41 8.745 5.552 -0.137
328 HD21 LEU 41 HD21 LEU 41 8.238 7.036 -2.225
329 HD22 LEU 41 HD22 LEU 41 6.559 7.484 -2.528
330 HD23 LEU 41 HD23 LEU 41 7.086 5.814 -2.765
331 H LEU 42 HN LEU 42 2.672 6.317 1.281
332 HA LEU 42 HA LEU 42 0.712 6.042 -0.900
333 HB2 LEU 42 HB2 LEU 42 0.708 4.648 1.776
334 HB3 LEU 42 HB1 LEU 42 -0.411 4.371 0.461
335 HG LEU 42 HG LEU 42 0.904 2.582 0.106
336 HD11 LEU 42 HD11 LEU 42 2.693 2.961 -1.515
337 HD12 LEU 42 HD12 LEU 42 2.635 4.690 -1.162
338 HD13 LEU 42 HD13 LEU 42 1.242 3.889 -1.895
339 HD21 LEU 42 HD21 LEU 42 3.170 2.321 0.838
340 HD22 LEU 42 HD22 LEU 42 2.201 2.998 2.144
341 HD23 LEU 42 HD23 LEU 42 3.287 4.038 1.220
342 H HIS 43 HN HIS 43 1.449 8.308 1.063
343 HA HIS 43 HA HIS 43 -0.447 8.701 3.012
344 HB2 HIS 43 HB2 HIS 43 0.255 10.947 3.105
345 HB3 HIS 43 HB1 HIS 43 1.642 10.080 2.473
346 HD1 HIS 43 HD1 HIS 43 -0.796 12.737 1.618
347 HD2 HIS 43 HD2 HIS 43 2.200 10.570 -0.285
348 HE1 HIS 43 HE1 HIS 43 -0.337 13.955 -0.530
349 HE2 HIS 43 HE2 HIS 43 1.403 12.570 -1.716
350 H ASP 44 HN ASP 44 -0.919 8.991 -0.413
351 HA ASP 44 HA ASP 44 -3.393 10.530 -0.029
352 HB2 ASP 44 HB2 ASP 44 -3.229 10.987 -2.464
353 HB3 ASP 44 HB1 ASP 44 -1.819 11.544 -1.569
354 H LEU 45 HN LEU 45 -2.798 7.445 0.098
355 HA LEU 45 HA LEU 45 -4.670 6.598 -1.981
356 HB2 LEU 45 HB2 LEU 45 -2.763 5.003 -0.292
357 HB3 LEU 45 HB1 LEU 45 -3.909 4.288 -1.409
358 HG LEU 45 HG LEU 45 -1.639 6.138 -2.145
359 HD11 LEU 45 HD11 LEU 45 -2.050 3.202 -2.676
360 HD12 LEU 45 HD12 LEU 45 -0.936 3.880 -1.492
361 HD13 LEU 45 HD13 LEU 45 -0.686 4.181 -3.212
362 HD21 LEU 45 HD21 LEU 45 -3.694 4.754 -3.865
363 HD22 LEU 45 HD22 LEU 45 -2.262 5.588 -4.467
364 HD23 LEU 45 HD23 LEU 45 -3.519 6.493 -3.626
365 HA PRO 46 HA PRO 46 -6.540 4.271 1.682
366 HB2 PRO 46 HB2 PRO 46 -5.969 4.861 4.233
367 HB3 PRO 46 HB1 PRO 46 -4.946 3.805 3.262
368 HG2 PRO 46 HG2 PRO 46 -4.560 6.684 3.951
369 HG3 PRO 46 HG1 PRO 46 -3.371 5.369 3.896
370 HD2 PRO 46 HD2 PRO 46 -3.721 7.208 1.887
371 HD3 PRO 46 HD1 PRO 46 -3.064 5.581 1.638
372 H GLY 47 HN GLY 47 -8.304 4.614 3.269
373 HA2 GLY 47 HA2 GLY 47 -10.026 6.005 4.117
374 HA3 GLY 47 HA1 GLY 47 -9.351 7.355 3.205
375 H GLN 48 HN GLN 48 -9.049 5.191 1.029
376 HA GLN 48 HA GLN 48 -11.803 5.308 0.000
377 HB2 GLN 48 HB2 GLN 48 -9.174 5.307 -1.500
378 HB3 GLN 48 HB1 GLN 48 -10.754 5.193 -2.263
379 HG2 GLN 48 HG2 GLN 48 -11.331 7.394 -1.532
380 HG3 GLN 48 HG1 GLN 48 -9.866 7.500 -0.562
381 HE21 GLN 48 HE21 GLN 48 -11.199 7.588 -3.766
382 HE22 GLN 48 HE22 GLN 48 -9.796 8.225 -4.551
383 H GLU 49 HN GLU 49 -12.093 3.527 -1.722
384 HA GLU 49 HA GLU 49 -11.023 1.031 -0.631
385 HB2 GLU 49 HB2 GLU 49 -13.405 1.615 -2.389
386 HB3 GLU 49 HB1 GLU 49 -12.792 -0.013 -2.166
387 HG2 GLU 49 HG2 GLU 49 -13.026 0.548 0.364
388 HG3 GLU 49 HG1 GLU 49 -14.146 1.777 -0.220
389 H LEU 50 HN LEU 50 -9.139 0.626 -1.490
390 HA LEU 50 HA LEU 50 -8.556 1.303 -4.259
391 HB2 LEU 50 HB2 LEU 50 -6.865 0.255 -1.990
392 HB3 LEU 50 HB1 LEU 50 -6.243 0.505 -3.609
393 HG LEU 50 HG LEU 50 -5.539 2.374 -2.374
394 HD11 LEU 50 HD11 LEU 50 -6.468 2.983 -4.540
395 HD12 LEU 50 HD12 LEU 50 -6.687 4.272 -3.356
396 HD13 LEU 50 HD13 LEU 50 -8.047 3.239 -3.795
397 HD21 LEU 50 HD21 LEU 50 -7.011 3.744 -0.984
398 HD22 LEU 50 HD22 LEU 50 -6.931 2.076 -0.415
399 HD23 LEU 50 HD23 LEU 50 -8.344 2.635 -1.310
400 H ASN 51 HN ASN 51 -8.425 -0.166 -5.880
401 HA ASN 51 HA ASN 51 -9.196 -2.890 -5.300
402 HB2 ASN 51 HB2 ASN 51 -9.155 -3.222 -7.753
403 HB3 ASN 51 HB1 ASN 51 -10.168 -1.870 -7.269
404 HD21 ASN 51 HD21 ASN 51 -10.067 -0.938 -9.295
405 HD22 ASN 51 HD22 ASN 51 -8.638 -0.153 -9.878
406 H LEU 52 HN LEU 52 -7.946 -4.676 -6.562
407 HA LEU 52 HA LEU 52 -5.539 -5.078 -5.267
408 HB2 LEU 52 HB2 LEU 52 -6.832 -6.297 -7.654
409 HB3 LEU 52 HB1 LEU 52 -5.140 -6.657 -7.383
410 HG LEU 52 HG LEU 52 -6.634 -8.388 -6.475
411 HD11 LEU 52 HD11 LEU 52 -4.429 -8.001 -5.490
412 HD12 LEU 52 HD12 LEU 52 -5.598 -8.563 -4.293
413 HD13 LEU 52 HD13 LEU 52 -5.144 -6.861 -4.352
414 HD21 LEU 52 HD21 LEU 52 -7.582 -6.212 -4.615
415 HD22 LEU 52 HD22 LEU 52 -7.981 -7.925 -4.491
416 HD23 LEU 52 HD23 LEU 52 -8.537 -6.989 -5.878
417 H SER 53 HN SER 53 -6.084 -3.802 -8.517
418 HA SER 53 HA SER 53 -3.464 -3.575 -9.393
419 HB2 SER 53 HB2 SER 53 -5.677 -1.578 -9.906
420 HB3 SER 53 HB1 SER 53 -4.281 -1.901 -10.933
421 HG SER 53 HG SER 53 -5.264 -4.195 -10.825
422 H GLN 54 HN GLN 54 -5.418 -1.100 -7.743
423 HA GLN 54 HA GLN 54 -3.358 0.794 -7.461
424 HB2 GLN 54 HB2 GLN 54 -5.947 0.363 -5.974
425 HB3 GLN 54 HB1 GLN 54 -4.886 1.729 -5.656
426 HG2 GLN 54 HG2 GLN 54 -5.204 2.601 -7.831
427 HG3 GLN 54 HG1 GLN 54 -5.985 1.121 -8.383
428 HE21 GLN 54 HE21 GLN 54 -6.877 3.940 -8.336
429 HE22 GLN 54 HE22 GLN 54 -8.390 3.933 -7.501
430 H LEU 55 HN LEU 55 -4.370 -1.899 -5.451
431 HA LEU 55 HA LEU 55 -2.981 -1.265 -3.112
432 HB2 LEU 55 HB2 LEU 55 -3.583 -3.982 -4.279
433 HB3 LEU 55 HB1 LEU 55 -3.051 -3.700 -2.640
434 HG LEU 55 HG LEU 55 -5.653 -2.758 -3.837
435 HD11 LEU 55 HD11 LEU 55 -5.512 -5.179 -3.390
436 HD12 LEU 55 HD12 LEU 55 -6.683 -4.358 -2.360
437 HD13 LEU 55 HD13 LEU 55 -5.110 -4.821 -1.713
438 HD21 LEU 55 HD21 LEU 55 -4.836 -1.157 -2.203
439 HD22 LEU 55 HD22 LEU 55 -4.570 -2.456 -1.039
440 HD23 LEU 55 HD23 LEU 55 -6.209 -2.054 -1.555
441 H HIS 56 HN HIS 56 -1.905 -3.426 -5.774
442 HA HIS 56 HA HIS 56 0.711 -3.595 -4.616
443 HB2 HIS 56 HB2 HIS 56 1.361 -4.891 -6.567
444 HB3 HIS 56 HB1 HIS 56 -0.162 -5.470 -5.921
445 HD1 HIS 56 HD1 HIS 56 1.209 -3.479 -8.836
446 HD2 HIS 56 HD2 HIS 56 -2.211 -5.568 -7.708
447 HE1 HIS 56 HE1 HIS 56 -0.218 -3.608 -10.903
448 HE2 HIS 56 HE2 HIS 56 -2.190 -5.031 -10.245
449 H ALA 57 HN ALA 57 -0.814 -1.495 -6.886
450 HA ALA 57 HA ALA 57 1.469 -0.349 -8.073
451 HB1 ALA 57 HB1 ALA 57 -1.146 1.007 -7.428
452 HB2 ALA 57 HB2 ALA 57 -0.823 0.050 -8.874
453 HB3 ALA 57 HB3 ALA 57 0.058 1.552 -8.595
454 H ALA 58 HN ALA 58 -0.090 0.147 -4.982
455 HA ALA 58 HA ALA 58 1.282 2.431 -4.112
456 HB1 ALA 58 HB1 ALA 58 0.346 0.064 -2.488
457 HB2 ALA 58 HB2 ALA 58 -0.630 1.468 -2.923
458 HB3 ALA 58 HB3 ALA 58 0.760 1.655 -1.854
459 H ALA 59 HN ALA 59 2.153 -0.975 -4.100
460 HA ALA 59 HA ALA 59 4.546 -0.717 -2.608
461 HB1 ALA 59 HB1 ALA 59 5.058 -2.957 -3.419
462 HB2 ALA 59 HB2 ALA 59 3.764 -2.833 -4.610
463 HB3 ALA 59 HB3 ALA 59 3.381 -2.849 -2.887
464 H ALA 60 HN ALA 60 3.754 -0.415 -6.003
465 HA ALA 60 HA ALA 60 6.358 -0.446 -7.061
466 HB1 ALA 60 HB1 ALA 60 5.385 0.654 -9.011
467 HB2 ALA 60 HB2 ALA 60 3.926 1.013 -8.089
468 HB3 ALA 60 HB3 ALA 60 4.354 -0.659 -8.445
469 H ARG 61 HN ARG 61 4.456 2.077 -5.556
470 HA ARG 61 HA ARG 61 6.078 4.291 -6.184
471 HB2 ARG 61 HB2 ARG 61 4.401 3.756 -3.725
472 HB3 ARG 61 HB1 ARG 61 5.110 5.312 -4.128
473 HG2 ARG 61 HG2 ARG 61 3.747 5.467 -6.111
474 HG3 ARG 61 HG1 ARG 61 3.101 3.851 -5.818
475 HD2 ARG 61 HD2 ARG 61 2.055 4.573 -3.784
476 HD3 ARG 61 HD1 ARG 61 2.821 6.152 -3.900
477 HE ARG 61 HE ARG 61 1.036 5.374 -6.072
478 HH11 ARG 61 HH11 ARG 61 1.550 7.231 -3.146
479 HH12 ARG 61 HH12 ARG 61 0.174 8.269 -3.406
480 HH21 ARG 61 HH21 ARG 61 -0.775 6.724 -6.413
481 HH22 ARG 61 HH22 ARG 61 -1.150 7.972 -5.264
482 H ILE 62 HN ILE 62 6.238 1.854 -3.678
483 HA ILE 62 HA ILE 62 8.310 3.196 -2.201
484 HB ILE 62 HB ILE 62 7.187 0.408 -1.920
485 HG12 ILE 62 HG12 ILE 62 6.586 2.938 -0.382
486 HG13 ILE 62 HG11 ILE 62 5.530 2.198 -1.580
487 HG21 ILE 62 HG21 ILE 62 9.392 0.533 -0.930
488 HG22 ILE 62 HG22 ILE 62 8.169 0.465 0.344
489 HG23 ILE 62 HG23 ILE 62 8.944 2.000 -0.057
490 HD11 ILE 62 HD11 ILE 62 4.928 1.748 0.782
491 HD12 ILE 62 HD12 ILE 62 6.427 0.832 0.930
492 HD13 ILE 62 HD13 ILE 62 5.177 0.305 -0.198
493 H GLY 63 HN GLY 63 8.067 0.483 -4.437
494 HA2 GLY 63 HA2 GLY 63 10.693 -0.477 -4.224
495 HA3 GLY 63 HA1 GLY 63 9.679 -0.610 -5.654
496 H ASP 64 HN ASP 64 9.336 1.968 -6.412
497 HA ASP 64 HA ASP 64 11.819 2.601 -7.636
498 HB2 ASP 64 HB2 ASP 64 9.617 3.083 -8.672
499 HB3 ASP 64 HB1 ASP 64 9.322 4.305 -7.439
500 H PHE 65 HN PHE 65 10.133 3.771 -4.803
501 HA PHE 65 HA PHE 65 11.578 6.092 -4.254
502 HB2 PHE 65 HB2 PHE 65 9.577 5.464 -2.993
503 HB3 PHE 65 HB1 PHE 65 10.410 4.066 -2.324
504 HD1 PHE 65 HD1 PHE 65 10.357 7.765 -2.363
505 HD2 PHE 65 HD2 PHE 65 11.740 4.254 -0.397
506 HE1 PHE 65 HE1 PHE 65 11.102 9.128 -0.456
507 HE2 PHE 65 HE2 PHE 65 12.489 5.612 1.511
508 HZ PHE 65 HZ PHE 65 12.169 8.052 1.482
509 H TYR 66 HN TYR 66 12.166 2.771 -3.153
510 HA TYR 66 HA TYR 66 14.583 3.209 -1.836
511 HB2 TYR 66 HB2 TYR 66 13.172 0.886 -2.992
512 HB3 TYR 66 HB1 TYR 66 14.908 0.695 -2.802
513 HD1 TYR 66 HD2 TYR 66 11.848 1.656 -0.885
514 HD2 TYR 66 HD1 TYR 66 15.787 0.055 -0.770
515 HE1 TYR 66 HE2 TYR 66 11.539 1.074 1.482
516 HE2 TYR 66 HE1 TYR 66 15.494 -0.527 1.592
517 HH TYR 66 HH TYR 66 14.119 -0.561 3.328
518 H GLN 67 HN GLN 67 13.923 2.498 -5.239
519 HA GLN 67 HA GLN 67 16.581 2.166 -6.076
520 HB2 GLN 67 HB2 GLN 67 14.227 3.186 -7.668
521 HB3 GLN 67 HB1 GLN 67 15.735 2.589 -8.343
522 HG2 GLN 67 HG2 GLN 67 15.272 0.382 -7.372
523 HG3 GLN 67 HG1 GLN 67 13.743 0.995 -6.750
524 HE21 GLN 67 HE21 GLN 67 14.254 -1.165 -8.635
525 HE22 GLN 67 HE22 GLN 67 13.390 -0.756 -10.075
526 H GLU 68 HN GLU 68 14.603 5.062 -5.694
527 HA GLU 68 HA GLU 68 16.440 6.813 -6.993
528 HB2 GLU 68 HB2 GLU 68 14.257 7.403 -4.993
529 HB3 GLU 68 HB1 GLU 68 15.158 8.626 -5.877
530 HG2 GLU 68 HG2 GLU 68 14.330 7.555 -7.991
531 HG3 GLU 68 HG1 GLU 68 13.263 6.578 -6.981
532 H LYS 69 HN LYS 69 16.266 5.416 -3.865
533 HA LYS 69 HA LYS 69 18.105 7.356 -2.713
534 HB2 LYS 69 HB2 LYS 69 16.920 4.866 -1.475
535 HB3 LYS 69 HB1 LYS 69 17.785 6.140 -0.629
536 HG2 LYS 69 HG2 LYS 69 15.135 6.416 -2.031
537 HG3 LYS 69 HG1 LYS 69 15.396 6.352 -0.288
538 HD2 LYS 69 HD2 LYS 69 16.671 8.428 -0.393
539 HD3 LYS 69 HD1 LYS 69 16.462 8.479 -2.145
540 HE2 LYS 69 HE2 LYS 69 14.012 8.559 -1.795
541 HE3 LYS 69 HE1 LYS 69 14.293 8.656 -0.062
542 HZ1 LYS 69 HZ1 LYS 69 15.513 10.721 -0.421
543 HZ2 LYS 69 HZ2 LYS 69 13.929 10.842 -1.003
544 HZ3 LYS 69 HZ3 LYS 69 15.211 10.627 -2.082
545 H GLY 70 HN GLY 70 18.428 4.814 -4.718
546 HA2 GLY 70 HA2 GLY 70 20.712 4.296 -5.378
547 HA3 GLY 70 HA1 GLY 70 21.130 4.253 -3.674
548 H TYR 71 HN TYR 71 18.355 2.795 -3.466
549 HA TYR 71 HA TYR 71 19.577 0.160 -3.597
550 HB2 TYR 71 HB2 TYR 71 16.811 0.918 -2.640
551 HB3 TYR 71 HB1 TYR 71 17.650 -0.602 -2.347
552 HD1 TYR 71 HD1 TYR 71 19.656 -0.610 -0.849
553 HD2 TYR 71 HD2 TYR 71 17.154 2.796 -1.286
554 HE1 TYR 71 HE1 TYR 71 20.578 0.330 1.222
555 HE2 TYR 71 HE2 TYR 71 18.065 3.743 0.779
556 HH TYR 71 HH TYR 71 20.828 2.398 2.361
557 H VAL 72 HN VAL 72 19.634 0.451 -6.006
558 HA VAL 72 HA VAL 72 17.227 0.515 -7.513
559 HB VAL 72 HB VAL 72 19.930 -0.460 -8.444
560 HG11 VAL 72 HG11 VAL 72 17.589 0.716 -9.941
561 HG12 VAL 72 HG12 VAL 72 18.138 -0.960 -9.999
562 HG13 VAL 72 HG13 VAL 72 19.158 0.327 -10.644
563 HG21 VAL 72 HG21 VAL 72 20.328 1.860 -9.165
564 HG22 VAL 72 HG22 VAL 72 20.188 1.718 -7.412
565 HG23 VAL 72 HG23 VAL 72 18.840 2.352 -8.356
566 H LEU 73 HN LEU 73 19.031 -2.001 -5.998
567 HA LEU 73 HA LEU 73 17.797 -4.119 -7.533
568 HB2 LEU 73 HB2 LEU 73 19.579 -4.194 -5.113
569 HB3 LEU 73 HB1 LEU 73 19.026 -5.610 -5.982
570 HG LEU 73 HG LEU 73 20.753 -3.427 -7.143
571 HD11 LEU 73 HD11 LEU 73 22.518 -5.146 -7.126
572 HD12 LEU 73 HD12 LEU 73 21.438 -6.215 -6.230
573 HD13 LEU 73 HD13 LEU 73 21.984 -4.702 -5.506
574 HD21 LEU 73 HD21 LEU 73 19.821 -6.055 -8.280
575 HD22 LEU 73 HD22 LEU 73 21.033 -5.006 -9.014
576 HD23 LEU 73 HD23 LEU 73 19.371 -4.443 -8.837
577 H ALA 74 HN ALA 74 16.863 -2.184 -4.994
578 HA ALA 74 HA ALA 74 15.392 -4.174 -3.497
579 HB1 ALA 74 HB1 ALA 74 14.576 -2.245 -2.199
580 HB2 ALA 74 HB2 ALA 74 15.419 -1.166 -3.310
581 HB3 ALA 74 HB3 ALA 74 16.335 -2.289 -2.306
582 H ARG 75 HN ARG 75 13.230 -4.535 -3.567
583 HA ARG 75 HA ARG 75 11.558 -2.897 -5.314
584 HB2 ARG 75 HB2 ARG 75 12.517 -4.818 -6.654
585 HB3 ARG 75 HB1 ARG 75 11.651 -5.906 -5.580
586 HG2 ARG 75 HG2 ARG 75 10.334 -5.674 -7.527
587 HG3 ARG 75 HG1 ARG 75 9.537 -4.733 -6.265
588 HD2 ARG 75 HD2 ARG 75 9.587 -3.543 -8.411
589 HD3 ARG 75 HD1 ARG 75 10.479 -2.684 -7.158
590 HE ARG 75 HE ARG 75 12.491 -3.899 -8.250
591 HH11 ARG 75 HH11 ARG 75 9.707 -2.609 -9.939
592 HH12 ARG 75 HH12 ARG 75 10.589 -2.284 -11.394
593 HH21 ARG 75 HH21 ARG 75 13.651 -3.467 -10.164
594 HH22 ARG 75 HH22 ARG 75 12.830 -2.770 -11.527
595 H ALA 76 HN ALA 76 9.589 -2.605 -4.439
596 HA ALA 76 HA ALA 76 8.874 -4.242 -2.112
597 HB1 ALA 76 HB1 ALA 76 7.792 -1.562 -2.984
598 HB2 ALA 76 HB2 ALA 76 8.993 -1.831 -1.719
599 HB3 ALA 76 HB3 ALA 76 7.346 -2.431 -1.515
600 H PHE 77 HN PHE 77 7.061 -5.462 -2.098
601 HA PHE 77 HA PHE 77 5.167 -5.186 -4.315
602 HB2 PHE 77 HB2 PHE 77 5.133 -7.588 -4.713
603 HB3 PHE 77 HB1 PHE 77 6.764 -6.974 -4.941
604 HD1 PHE 77 HD1 PHE 77 8.537 -7.554 -3.402
605 HD2 PHE 77 HD2 PHE 77 4.595 -9.066 -2.875
606 HE1 PHE 77 HE1 PHE 77 9.399 -9.226 -1.823
607 HE2 PHE 77 HE2 PHE 77 5.448 -10.746 -1.291
608 HZ PHE 77 HZ PHE 77 7.831 -10.849 -0.774
609 H LEU 78 HN LEU 78 3.063 -6.031 -3.840
610 HA LEU 78 HA LEU 78 2.605 -6.169 -0.944
611 HB2 LEU 78 HB2 LEU 78 1.565 -4.291 -2.292
612 HB3 LEU 78 HB1 LEU 78 0.566 -5.505 -3.064
613 HG LEU 78 HG LEU 78 0.562 -5.158 -0.073
614 HD11 LEU 78 HD11 LEU 78 0.049 -2.981 -1.012
615 HD12 LEU 78 HD12 LEU 78 -1.406 -3.720 -0.340
616 HD13 LEU 78 HD13 LEU 78 -1.148 -3.706 -2.085
617 HD21 LEU 78 HD21 LEU 78 -1.676 -6.120 -0.277
618 HD22 LEU 78 HD22 LEU 78 -0.449 -7.192 -0.952
619 HD23 LEU 78 HD23 LEU 78 -1.469 -6.234 -2.026
620 HA PRO 79 HA PRO 79 1.646 -10.488 -1.791
621 HB2 PRO 79 HB2 PRO 79 1.118 -11.090 0.825
622 HB3 PRO 79 HB1 PRO 79 2.745 -11.051 0.140
623 HG2 PRO 79 HG2 PRO 79 1.313 -8.967 1.738
624 HG3 PRO 79 HG1 PRO 79 2.998 -9.505 1.854
625 HD2 PRO 79 HD2 PRO 79 2.309 -7.231 0.596
626 HD3 PRO 79 HD1 PRO 79 3.657 -8.242 0.031
627 H ALA 80 HN ALA 80 -0.278 -10.407 -2.861
628 HA ALA 80 HA ALA 80 -2.636 -9.379 -1.481
629 HB1 ALA 80 HB1 ALA 80 -2.125 -8.499 -3.703
630 HB2 ALA 80 HB2 ALA 80 -3.675 -9.341 -3.682
631 HB3 ALA 80 HB3 ALA 80 -2.256 -10.122 -4.377
632 H GLN 81 HN GLN 81 -1.560 -11.963 -0.736
633 HA GLN 81 HA GLN 81 -3.311 -13.956 -1.832
634 HB2 GLN 81 HB2 GLN 81 -1.071 -14.497 -0.893
635 HB3 GLN 81 HB1 GLN 81 -1.661 -14.053 0.701
636 HG2 GLN 81 HG2 GLN 81 -1.660 -16.462 0.390
637 HG3 GLN 81 HG1 GLN 81 -3.297 -15.847 0.617
638 HE21 GLN 81 HE21 GLN 81 -4.224 -17.620 -0.379
639 HE22 GLN 81 HE22 GLN 81 -4.131 -17.880 -2.088
640 H GLU 82 HN GLU 82 -3.038 -12.352 1.327
641 HA GLU 82 HA GLU 82 -5.960 -12.405 1.515
642 HB2 GLU 82 HB2 GLU 82 -5.148 -14.261 2.895
643 HB3 GLU 82 HB1 GLU 82 -4.067 -13.170 3.747
644 HG2 GLU 82 HG2 GLU 82 -6.059 -13.679 5.052
645 HG3 GLU 82 HG1 GLU 82 -5.956 -11.963 4.662
646 H ILE 83 HN ILE 83 -6.662 -10.403 1.766
647 HA ILE 83 HA ILE 83 -4.956 -8.508 3.225
648 HB ILE 83 HB ILE 83 -6.632 -7.838 0.816
649 HG12 ILE 83 HG12 ILE 83 -3.631 -8.026 1.160
650 HG13 ILE 83 HG11 ILE 83 -4.635 -9.092 0.182
651 HG21 ILE 83 HG21 ILE 83 -5.607 -5.622 1.003
652 HG22 ILE 83 HG22 ILE 83 -4.768 -6.133 2.468
653 HG23 ILE 83 HG23 ILE 83 -6.528 -6.029 2.450
654 HD11 ILE 83 HD11 ILE 83 -4.178 -6.161 -0.286
655 HD12 ILE 83 HD12 ILE 83 -5.201 -7.212 -1.268
656 HD13 ILE 83 HD13 ILE 83 -3.461 -7.490 -1.197
657 H GLN 84 HN GLN 84 -5.948 -8.143 5.068
658 HA GLN 84 HA GLN 84 -8.726 -8.229 5.518
659 HB2 GLN 84 HB2 GLN 84 -8.124 -6.881 7.604
660 HB3 GLN 84 HB1 GLN 84 -7.368 -8.457 7.434
661 HG2 GLN 84 HG2 GLN 84 -5.964 -5.982 6.515
662 HG3 GLN 84 HG1 GLN 84 -5.946 -6.459 8.210
663 HE21 GLN 84 HE21 GLN 84 -3.798 -6.295 6.182
664 HE22 GLN 84 HE22 GLN 84 -3.047 -7.857 6.190
665 H ASP 85 HN ASP 85 -10.238 -6.555 5.730
666 HA ASP 85 HA ASP 85 -9.857 -4.484 3.794
667 HB2 ASP 85 HB2 ASP 85 -12.197 -3.861 4.299
668 HB3 ASP 85 HB1 ASP 85 -12.013 -5.565 3.904
669 H GLY 86 HN GLY 86 -8.048 -3.500 4.942
670 HA2 GLY 86 HA2 GLY 86 -8.629 -0.977 5.791
671 HA3 GLY 86 HA1 GLY 86 -8.609 -1.916 7.276
672 H THR 87 HN THR 87 -6.613 -3.554 7.172
673 HA THR 87 HA THR 87 -4.280 -1.825 6.823
674 HB THR 87 HB THR 87 -4.418 -4.543 8.131
675 HG1 THR 87 HG1 THR 87 -5.517 -2.308 8.960
676 HG21 THR 87 HG21 THR 87 -2.377 -2.322 8.342
677 HG22 THR 87 HG22 THR 87 -2.163 -3.828 7.450
678 HG23 THR 87 HG23 THR 87 -2.327 -3.859 9.206
679 H VAL 88 HN VAL 88 -3.118 -1.999 5.026
680 HA VAL 88 HA VAL 88 -2.998 -4.622 3.685
681 HB VAL 88 HB VAL 88 -2.317 -3.418 1.650
682 HG11 VAL 88 HG11 VAL 88 -4.667 -3.889 1.948
683 HG12 VAL 88 HG12 VAL 88 -4.472 -2.318 1.170
684 HG13 VAL 88 HG13 VAL 88 -4.875 -2.409 2.885
685 HG21 VAL 88 HG21 VAL 88 -1.249 -1.491 2.715
686 HG22 VAL 88 HG22 VAL 88 -2.829 -0.909 3.243
687 HG23 VAL 88 HG23 VAL 88 -2.449 -0.988 1.523
688 H ARG 89 HN ARG 89 -1.008 -5.587 3.436
689 HA ARG 89 HA ARG 89 1.227 -4.090 4.619
690 HB2 ARG 89 HB2 ARG 89 0.378 -6.157 5.855
691 HB3 ARG 89 HB1 ARG 89 1.045 -7.097 4.526
692 HG2 ARG 89 HG2 ARG 89 3.261 -6.184 4.982
693 HG3 ARG 89 HG1 ARG 89 2.598 -5.225 6.303
694 HD2 ARG 89 HD2 ARG 89 3.625 -7.164 7.232
695 HD3 ARG 89 HD1 ARG 89 1.880 -7.337 7.393
696 HE ARG 89 HE ARG 89 2.151 -8.727 5.234
697 HH11 ARG 89 HH11 ARG 89 4.439 -8.606 7.884
698 HH12 ARG 89 HH12 ARG 89 5.042 -10.207 7.601
699 HH21 ARG 89 HH21 ARG 89 2.952 -10.837 4.861
700 HH22 ARG 89 HH22 ARG 89 4.203 -11.469 5.887
701 H ILE 90 HN ILE 90 2.975 -3.774 3.478
702 HA ILE 90 HA ILE 90 3.233 -5.122 0.868
703 HB ILE 90 HB ILE 90 4.259 -2.412 1.746
704 HG12 ILE 90 HG12 ILE 90 2.101 -3.149 -0.244
705 HG13 ILE 90 HG11 ILE 90 1.823 -2.489 1.363
706 HG21 ILE 90 HG21 ILE 90 5.795 -3.470 0.185
707 HG22 ILE 90 HG22 ILE 90 4.958 -2.121 -0.584
708 HG23 ILE 90 HG23 ILE 90 4.468 -3.777 -0.935
709 HD11 ILE 90 HD11 ILE 90 2.959 -0.431 0.716
710 HD12 ILE 90 HD12 ILE 90 1.594 -0.782 -0.344
711 HD13 ILE 90 HD13 ILE 90 3.241 -1.094 -0.893
712 H GLU 91 HN GLU 91 5.052 -6.307 0.518
713 HA GLU 91 HA GLU 91 7.001 -6.386 2.691
714 HB2 GLU 91 HB2 GLU 91 6.586 -8.253 0.352
715 HB3 GLU 91 HB1 GLU 91 7.846 -8.441 1.563
716 HG2 GLU 91 HG2 GLU 91 5.984 -8.499 3.279
717 HG3 GLU 91 HG1 GLU 91 4.879 -8.668 1.920
718 H VAL 92 HN VAL 92 8.923 -5.564 2.538
719 HA VAL 92 HA VAL 92 9.673 -4.276 0.019
720 HB VAL 92 HB VAL 92 10.670 -3.779 2.829
721 HG11 VAL 92 HG11 VAL 92 11.215 -2.284 0.269
722 HG12 VAL 92 HG12 VAL 92 12.371 -3.252 1.185
723 HG13 VAL 92 HG13 VAL 92 11.714 -1.771 1.882
724 HG21 VAL 92 HG21 VAL 92 8.727 -2.245 1.110
725 HG22 VAL 92 HG22 VAL 92 9.417 -1.643 2.618
726 HG23 VAL 92 HG23 VAL 92 8.380 -3.071 2.632
727 H LEU 93 HN LEU 93 10.793 -5.767 -1.122
728 HA LEU 93 HA LEU 93 12.897 -7.323 0.117
729 HB2 LEU 93 HB2 LEU 93 11.579 -8.301 -1.699
730 HB3 LEU 93 HB1 LEU 93 12.068 -7.007 -2.774
731 HG LEU 93 HG LEU 93 14.421 -7.801 -2.589
732 HD11 LEU 93 HD11 LEU 93 14.306 -8.913 -0.447
733 HD12 LEU 93 HD12 LEU 93 14.808 -10.059 -1.691
734 HD13 LEU 93 HD13 LEU 93 13.152 -10.084 -1.086
735 HD21 LEU 93 HD21 LEU 93 12.996 -8.457 -4.465
736 HD22 LEU 93 HD22 LEU 93 12.433 -9.857 -3.550
737 HD23 LEU 93 HD23 LEU 93 14.125 -9.740 -4.033
738 H GLU 94 HN GLU 94 14.399 -5.873 0.865
739 HA GLU 94 HA GLU 94 15.186 -3.568 -0.598
740 HB2 GLU 94 HB2 GLU 94 16.598 -4.900 1.716
741 HB3 GLU 94 HB1 GLU 94 16.854 -3.254 1.154
742 HG2 GLU 94 HG2 GLU 94 14.480 -2.767 1.713
743 HG3 GLU 94 HG1 GLU 94 14.366 -4.379 2.415
744 H GLY 95 HN GLY 95 16.144 -6.846 -0.701
745 HA2 GLY 95 HA2 GLY 95 17.246 -7.594 -2.698
746 HA3 GLY 95 HA1 GLY 95 18.148 -6.087 -2.714
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 -29.781 0.037 8.873
2 H2 MET 1 HT2 MET 1 -30.481 -0.774 10.180
3 H3 MET 1 HT3 MET 1 -29.245 -1.509 9.293
4 HA MET 1 HA MET 1 -28.942 0.959 10.892
5 HB2 MET 1 HB2 MET 1 -28.188 -1.905 11.480
6 HB3 MET 1 HB1 MET 1 -27.520 -0.536 12.354
7 HG2 MET 1 HG2 MET 1 -29.774 0.087 13.080
8 HG3 MET 1 HG1 MET 1 -30.425 -1.308 12.223
9 HE1 MET 1 HE1 MET 1 -28.156 -3.504 12.793
10 HE2 MET 1 HE2 MET 1 -29.888 -3.826 12.879
11 HE3 MET 1 HE3 MET 1 -28.838 -4.290 14.217
12 H ALA 2 HN ALA 2 -28.182 0.554 8.127
13 HA ALA 2 HA ALA 2 -25.283 0.815 8.429
14 HB1 ALA 2 HB1 ALA 2 -26.636 -0.907 6.352
15 HB2 ALA 2 HB2 ALA 2 -25.648 -1.476 7.698
16 HB3 ALA 2 HB3 ALA 2 -24.915 -0.529 6.404
17 H HIS 3 HN HIS 3 -24.985 2.876 7.867
18 HA HIS 3 HA HIS 3 -26.599 4.011 5.694
19 HB2 HIS 3 HB2 HIS 3 -24.882 5.327 7.805
20 HB3 HIS 3 HB1 HIS 3 -25.681 6.202 6.506
21 HD1 HIS 3 HD1 HIS 3 -26.263 4.725 9.834
22 HD2 HIS 3 HD2 HIS 3 -28.532 6.249 6.702
23 HE1 HIS 3 HE1 HIS 3 -28.555 5.124 10.789
24 HE2 HIS 3 HE2 HIS 3 -29.935 5.959 8.852
25 H HIS 4 HN HIS 4 -23.541 2.725 6.274
26 HA HIS 4 HA HIS 4 -22.272 4.396 4.225
27 HB2 HIS 4 HB2 HIS 4 -21.049 2.523 6.258
28 HB3 HIS 4 HB1 HIS 4 -20.138 3.430 5.056
29 HD1 HIS 4 HD1 HIS 4 -21.563 3.680 8.409
30 HD2 HIS 4 HD2 HIS 4 -20.262 6.303 5.460
31 HE1 HIS 4 HE1 HIS 4 -21.271 5.894 9.558
32 HE2 HIS 4 HE2 HIS 4 -20.644 7.497 7.724
33 H HIS 5 HN HIS 5 -23.777 3.035 2.768
34 HA HIS 5 HA HIS 5 -22.533 0.506 2.025
35 HB2 HIS 5 HB2 HIS 5 -24.818 2.021 0.732
36 HB3 HIS 5 HB1 HIS 5 -24.230 0.451 0.207
37 HD1 HIS 5 HD1 HIS 5 -26.908 1.798 2.005
38 HD2 HIS 5 HD2 HIS 5 -24.351 -1.412 2.673
39 HE1 HIS 5 HE1 HIS 5 -28.116 0.296 3.617
40 HE2 HIS 5 HE2 HIS 5 -26.511 -1.589 4.085
41 H HIS 6 HN HIS 6 -23.349 3.511 0.295
42 HA HIS 6 HA HIS 6 -20.652 3.445 -0.865
43 HB2 HIS 6 HB2 HIS 6 -23.226 3.999 -2.350
44 HB3 HIS 6 HB1 HIS 6 -21.637 4.408 -2.984
45 HD1 HIS 6 HD1 HIS 6 -20.297 1.687 -1.939
46 HD2 HIS 6 HD2 HIS 6 -23.736 2.042 -4.247
47 HE1 HIS 6 HE1 HIS 6 -20.516 -0.493 -3.161
48 HE2 HIS 6 HE2 HIS 6 -22.486 -0.186 -4.698
49 H HIS 7 HN HIS 7 -22.673 5.040 1.103
50 HA HIS 7 HA HIS 7 -22.077 7.736 0.255
51 HB2 HIS 7 HB2 HIS 7 -23.424 6.600 2.705
52 HB3 HIS 7 HB1 HIS 7 -23.050 8.314 2.555
53 HD1 HIS 7 HD1 HIS 7 -25.901 6.533 2.453
54 HD2 HIS 7 HD2 HIS 7 -24.084 8.876 -0.460
55 HE1 HIS 7 HE1 HIS 7 -27.736 7.174 0.857
56 HE2 HIS 7 HE2 HIS 7 -26.581 8.451 -0.980
57 H HIS 8 HN HIS 8 -20.416 8.951 0.876
58 HA HIS 8 HA HIS 8 -18.328 9.447 1.587
59 HB2 HIS 8 HB2 HIS 8 -19.212 9.534 3.837
60 HB3 HIS 8 HB1 HIS 8 -19.158 7.781 3.977
61 HD1 HIS 8 HD1 HIS 8 -16.821 10.760 3.762
62 HD2 HIS 8 HD2 HIS 8 -16.798 6.774 4.942
63 HE1 HIS 8 HE1 HIS 8 -14.587 10.389 4.856
64 HE2 HIS 8 HE2 HIS 8 -14.665 8.022 5.707
65 H VAL 9 HN VAL 9 -17.223 8.478 -0.035
66 HA VAL 9 HA VAL 9 -15.637 7.134 -0.946
67 HB VAL 9 HB VAL 9 -15.711 5.648 1.681
68 HG11 VAL 9 HG11 VAL 9 -13.600 4.659 0.983
69 HG12 VAL 9 HG12 VAL 9 -13.717 5.484 -0.572
70 HG13 VAL 9 HG13 VAL 9 -14.891 4.241 -0.142
71 HG21 VAL 9 HG21 VAL 9 -13.801 7.731 0.620
72 HG22 VAL 9 HG22 VAL 9 -13.627 6.858 2.142
73 HG23 VAL 9 HG23 VAL 9 -14.982 7.962 1.910
74 H ASP 10 HN ASP 10 -16.280 5.981 -2.586
75 HA ASP 10 HA ASP 10 -17.898 3.575 -2.074
76 HB2 ASP 10 HB2 ASP 10 -19.031 3.861 -4.169
77 HB3 ASP 10 HB1 ASP 10 -19.137 5.393 -3.309
78 H ASP 11 HN ASP 11 -17.479 1.789 -3.510
79 HA ASP 11 HA ASP 11 -14.674 1.770 -4.383
80 HB2 ASP 11 HB2 ASP 11 -14.661 -0.586 -3.976
81 HB3 ASP 11 HB1 ASP 11 -15.418 0.173 -2.582
82 H ASP 12 HN ASP 12 -17.231 2.579 -5.856
83 HA ASP 12 HA ASP 12 -18.072 2.506 -7.957
84 HB2 ASP 12 HB2 ASP 12 -15.491 1.054 -8.557
85 HB3 ASP 12 HB1 ASP 12 -16.623 1.610 -9.782
86 H ASP 13 HN ASP 13 -18.473 0.229 -6.026
87 HA ASP 13 HA ASP 13 -19.579 -1.747 -5.909
88 HB2 ASP 13 HB2 ASP 13 -20.457 -0.855 -8.652
89 HB3 ASP 13 HB1 ASP 13 -21.033 -2.350 -7.928
90 H LYS 14 HN LYS 14 -17.094 -2.280 -6.116
91 HA LYS 14 HA LYS 14 -15.471 -3.713 -6.779
92 HB2 LYS 14 HB2 LYS 14 -17.462 -5.253 -6.244
93 HB3 LYS 14 HB1 LYS 14 -17.640 -5.422 -7.981
94 HG2 LYS 14 HG2 LYS 14 -15.016 -6.000 -6.659
95 HG3 LYS 14 HG1 LYS 14 -16.309 -7.197 -6.657
96 HD2 LYS 14 HD2 LYS 14 -15.145 -5.919 -9.133
97 HD3 LYS 14 HD1 LYS 14 -14.684 -7.503 -8.505
98 HE2 LYS 14 HE2 LYS 14 -16.993 -8.276 -8.781
99 HE3 LYS 14 HE1 LYS 14 -17.449 -6.695 -9.409
100 HZ1 LYS 14 HZ1 LYS 14 -15.929 -7.032 -11.257
101 HZ2 LYS 14 HZ2 LYS 14 -17.077 -8.269 -11.187
102 HZ3 LYS 14 HZ3 LYS 14 -15.500 -8.552 -10.655
103 H MET 15 HN MET 15 -14.873 -1.999 -8.293
104 HA MET 15 HA MET 15 -15.128 -2.911 -11.084
105 HB2 MET 15 HB2 MET 15 -16.214 -0.750 -10.779
106 HB3 MET 15 HB1 MET 15 -14.764 -0.101 -10.029
107 HG2 MET 15 HG2 MET 15 -13.553 -0.414 -12.146
108 HG3 MET 15 HG1 MET 15 -15.043 -0.993 -12.888
109 HE1 MET 15 HE1 MET 15 -17.302 2.177 -12.873
110 HE2 MET 15 HE2 MET 15 -17.269 0.871 -11.687
111 HE3 MET 15 HE3 MET 15 -17.133 0.506 -13.406
112 H GLY 16 HN GLY 16 -13.288 -3.458 -12.078
113 HA2 GLY 16 HA2 GLY 16 -11.022 -3.596 -12.527
114 HA3 GLY 16 HA1 GLY 16 -10.745 -2.336 -11.332
115 H GLY 17 HN GLY 17 -12.432 -5.379 -10.840
116 HA2 GLY 17 HA2 GLY 17 -11.685 -7.285 -9.684
117 HA3 GLY 17 HA1 GLY 17 -10.208 -6.424 -9.273
118 HA PRO 18 HA PRO 18 -13.209 -6.584 -5.582
119 HB2 PRO 18 HB2 PRO 18 -11.279 -7.743 -3.964
120 HB3 PRO 18 HB1 PRO 18 -12.597 -8.610 -4.752
121 HG2 PRO 18 HG2 PRO 18 -9.746 -8.329 -5.583
122 HG3 PRO 18 HG1 PRO 18 -10.816 -9.737 -5.698
123 HD2 PRO 18 HD2 PRO 18 -10.238 -8.219 -7.833
124 HD3 PRO 18 HD1 PRO 18 -11.841 -8.951 -7.617
125 H THR 19 HN THR 19 -13.072 -5.119 -3.898
126 HA THR 19 HA THR 19 -10.733 -3.331 -4.002
127 HB THR 19 HB THR 19 -12.382 -1.620 -3.038
128 HG1 THR 19 HG1 THR 19 -14.601 -2.472 -4.071
129 HG21 THR 19 HG21 THR 19 -12.835 -2.682 -5.836
130 HG22 THR 19 HG22 THR 19 -11.576 -1.545 -5.354
131 HG23 THR 19 HG23 THR 19 -13.271 -1.072 -5.266
132 H VAL 20 HN VAL 20 -9.762 -2.667 -2.151
133 HA VAL 20 HA VAL 20 -10.720 -3.871 0.357
134 HB VAL 20 HB VAL 20 -7.888 -3.202 -0.298
135 HG11 VAL 20 HG11 VAL 20 -9.086 -4.789 1.955
136 HG12 VAL 20 HG12 VAL 20 -8.367 -3.183 2.072
137 HG13 VAL 20 HG13 VAL 20 -7.361 -4.574 1.666
138 HG21 VAL 20 HG21 VAL 20 -7.496 -5.611 -0.557
139 HG22 VAL 20 HG22 VAL 20 -8.607 -4.984 -1.776
140 HG23 VAL 20 HG23 VAL 20 -9.230 -5.892 -0.396
141 H LEU 21 HN LEU 21 -11.398 -2.390 1.808
142 HA LEU 21 HA LEU 21 -10.803 0.383 1.513
143 HB2 LEU 21 HB2 LEU 21 -12.880 -0.253 2.582
144 HB3 LEU 21 HB1 LEU 21 -12.016 -1.155 3.813
145 HG LEU 21 HG LEU 21 -11.027 0.986 4.624
146 HD11 LEU 21 HD11 LEU 21 -11.950 3.100 3.915
147 HD12 LEU 21 HD12 LEU 21 -13.011 2.285 2.763
148 HD13 LEU 21 HD13 LEU 21 -11.263 2.257 2.526
149 HD21 LEU 21 HD21 LEU 21 -12.953 0.026 5.726
150 HD22 LEU 21 HD22 LEU 21 -14.034 0.828 4.585
151 HD23 LEU 21 HD23 LEU 21 -13.072 1.786 5.711
152 H VAL 22 HN VAL 22 -8.814 1.039 1.734
153 HA VAL 22 HA VAL 22 -7.075 -0.142 3.747
154 HB VAL 22 HB VAL 22 -6.482 1.992 1.693
155 HG11 VAL 22 HG11 VAL 22 -4.982 2.006 3.653
156 HG12 VAL 22 HG12 VAL 22 -4.145 1.546 2.172
157 HG13 VAL 22 HG13 VAL 22 -4.596 0.312 3.348
158 HG21 VAL 22 HG21 VAL 22 -5.354 0.213 0.443
159 HG22 VAL 22 HG22 VAL 22 -7.082 -0.093 0.616
160 HG23 VAL 22 HG23 VAL 22 -5.928 -0.968 1.621
161 H LYS 23 HN LYS 23 -7.073 0.704 5.721
162 HA LYS 23 HA LYS 23 -7.727 3.540 6.065
163 HB2 LYS 23 HB2 LYS 23 -7.292 1.391 8.153
164 HB3 LYS 23 HB1 LYS 23 -7.880 3.021 8.449
165 HG2 LYS 23 HG2 LYS 23 -9.883 2.536 7.128
166 HG3 LYS 23 HG1 LYS 23 -9.293 0.896 6.852
167 HD2 LYS 23 HD2 LYS 23 -9.283 0.540 9.306
168 HD3 LYS 23 HD1 LYS 23 -10.000 2.138 9.507
169 HE2 LYS 23 HE2 LYS 23 -11.927 1.428 8.165
170 HE3 LYS 23 HE1 LYS 23 -11.212 -0.176 7.999
171 HZ1 LYS 23 HZ1 LYS 23 -12.853 -0.160 9.748
172 HZ2 LYS 23 HZ2 LYS 23 -12.060 1.107 10.538
173 HZ3 LYS 23 HZ3 LYS 23 -11.319 -0.406 10.417
174 H ARG 24 HN ARG 24 -5.155 1.260 6.129
175 HA ARG 24 HA ARG 24 -3.171 3.309 6.368
176 HB2 ARG 24 HB2 ARG 24 -2.079 2.333 8.384
177 HB3 ARG 24 HB1 ARG 24 -3.644 3.058 8.730
178 HG2 ARG 24 HG2 ARG 24 -4.689 0.890 8.800
179 HG3 ARG 24 HG1 ARG 24 -3.184 0.116 8.303
180 HD2 ARG 24 HD2 ARG 24 -3.588 -0.086 10.717
181 HD3 ARG 24 HD1 ARG 24 -2.110 0.803 10.355
182 HE ARG 24 HE ARG 24 -4.233 2.624 10.657
183 HH11 ARG 24 HH11 ARG 24 -2.283 0.419 12.541
184 HH12 ARG 24 HH12 ARG 24 -2.408 1.346 14.002
185 HH21 ARG 24 HH21 ARG 24 -4.418 3.848 12.571
186 HH22 ARG 24 HH22 ARG 24 -3.629 3.307 14.017
187 H PHE 25 HN PHE 25 -0.985 2.426 6.187
188 HA PHE 25 HA PHE 25 -0.966 -0.164 4.783
189 HB2 PHE 25 HB2 PHE 25 0.794 2.277 4.478
190 HB3 PHE 25 HB1 PHE 25 1.182 0.717 3.760
191 HD1 PHE 25 HD1 PHE 25 -1.555 3.238 3.892
192 HD2 PHE 25 HD2 PHE 25 0.445 0.241 1.638
193 HE1 PHE 25 HE1 PHE 25 -2.935 3.789 1.942
194 HE2 PHE 25 HE2 PHE 25 -0.930 0.789 -0.318
195 HZ PHE 25 HZ PHE 25 -2.629 2.566 -0.174
196 H GLN 26 HN GLN 26 0.831 -1.546 5.132
197 HA GLN 26 HA GLN 26 2.506 -0.949 7.466
198 HB2 GLN 26 HB2 GLN 26 0.562 -2.377 8.152
199 HB3 GLN 26 HB1 GLN 26 1.098 -3.589 7.001
200 HG2 GLN 26 HG2 GLN 26 1.825 -4.249 9.165
201 HG3 GLN 26 HG1 GLN 26 3.240 -3.741 8.248
202 HE21 GLN 26 HE21 GLN 26 0.979 -1.447 9.579
203 HE22 GLN 26 HE22 GLN 26 2.034 -0.818 10.792
204 H LEU 27 HN LEU 27 4.605 -1.710 7.263
205 HA LEU 27 HA LEU 27 5.202 -2.979 4.670
206 HB2 LEU 27 HB2 LEU 27 6.808 -1.152 6.439
207 HB3 LEU 27 HB1 LEU 27 7.556 -2.107 5.177
208 HG LEU 27 HG LEU 27 7.219 0.104 4.341
209 HD11 LEU 27 HD11 LEU 27 6.839 -1.701 2.756
210 HD12 LEU 27 HD12 LEU 27 5.823 -0.307 2.396
211 HD13 LEU 27 HD13 LEU 27 5.129 -1.721 3.185
212 HD21 LEU 27 HD21 LEU 27 5.472 0.831 5.880
213 HD22 LEU 27 HD22 LEU 27 4.309 -0.200 5.048
214 HD23 LEU 27 HD23 LEU 27 5.038 1.166 4.204
215 H SER 28 HN SER 28 6.744 -4.638 4.576
216 HA SER 28 HA SER 28 7.465 -5.855 7.146
217 HB2 SER 28 HB2 SER 28 5.499 -7.021 6.143
218 HB3 SER 28 HB1 SER 28 6.485 -7.384 4.728
219 HG SER 28 HG SER 28 7.633 -8.807 5.852
220 H GLY 29 HN GLY 29 9.591 -6.190 7.290
221 HA2 GLY 29 HA2 GLY 29 11.630 -7.133 6.593
222 HA3 GLY 29 HA1 GLY 29 11.054 -7.107 4.935
223 H ASN 30 HN ASN 30 10.335 -4.147 6.077
224 HA ASN 30 HA ASN 30 12.488 -2.898 4.679
225 HB2 ASN 30 HB2 ASN 30 11.405 -0.772 5.427
226 HB3 ASN 30 HB1 ASN 30 10.324 -1.861 4.570
227 HD21 ASN 30 HD21 ASN 30 9.871 0.319 6.546
228 HD22 ASN 30 HD22 ASN 30 8.872 -0.397 7.768
229 H ARG 31 HN ARG 31 14.394 -2.357 5.429
230 HA ARG 31 HA ARG 31 14.718 -1.956 8.336
231 HB2 ARG 31 HB2 ARG 31 16.681 -3.160 6.375
232 HB3 ARG 31 HB1 ARG 31 17.046 -2.785 8.054
233 HG2 ARG 31 HG2 ARG 31 14.992 -4.767 7.095
234 HG3 ARG 31 HG1 ARG 31 16.584 -5.149 7.754
235 HD2 ARG 31 HD2 ARG 31 14.307 -3.797 9.196
236 HD3 ARG 31 HD1 ARG 31 14.899 -5.434 9.465
237 HE ARG 31 HE ARG 31 17.096 -3.975 9.936
238 HH11 ARG 31 HH11 ARG 31 13.808 -3.675 11.084
239 HH12 ARG 31 HH12 ARG 31 14.262 -2.918 12.577
240 HH21 ARG 31 HH21 ARG 31 17.706 -2.974 11.897
241 HH22 ARG 31 HH22 ARG 31 16.482 -2.529 13.045
242 H GLN 32 HN GLN 32 15.564 -0.958 5.090
243 HA GLN 32 HA GLN 32 17.428 1.062 5.852
244 HB2 GLN 32 HB2 GLN 32 15.821 0.765 3.306
245 HB3 GLN 32 HB1 GLN 32 17.192 1.842 3.519
246 HG2 GLN 32 HG2 GLN 32 17.237 -1.163 3.629
247 HG3 GLN 32 HG1 GLN 32 17.859 -0.147 2.330
248 HE21 GLN 32 HE21 GLN 32 18.991 1.824 4.141
249 HE22 GLN 32 HE22 GLN 32 20.399 1.096 4.829
250 H PHE 33 HN PHE 33 13.981 1.050 5.091
251 HA PHE 33 HA PHE 33 13.790 3.718 6.308
252 HB2 PHE 33 HB2 PHE 33 12.215 2.758 3.906
253 HB3 PHE 33 HB1 PHE 33 12.036 4.316 4.703
254 HD1 PHE 33 HD2 PHE 33 13.970 5.926 4.662
255 HD2 PHE 33 HD1 PHE 33 13.837 2.428 2.246
256 HE1 PHE 33 HE2 PHE 33 15.700 6.877 3.195
257 HE2 PHE 33 HE1 PHE 33 15.568 3.371 0.777
258 HZ PHE 33 HZ PHE 33 16.503 5.599 1.254
259 H ASP 34 HN ASP 34 12.153 3.987 7.738
260 HA ASP 34 HA ASP 34 10.911 1.582 8.717
261 HB2 ASP 34 HB2 ASP 34 10.058 3.042 10.522
262 HB3 ASP 34 HB1 ASP 34 11.798 3.184 10.309
263 H ASP 35 HN ASP 35 8.525 1.689 9.390
264 HA ASP 35 HA ASP 35 6.970 1.681 7.093
265 HB2 ASP 35 HB2 ASP 35 6.087 1.928 9.970
266 HB3 ASP 35 HB1 ASP 35 4.986 1.655 8.629
267 H ARG 36 HN ARG 36 6.969 4.092 9.684
268 HA ARG 36 HA ARG 36 5.205 5.962 8.787
269 HB2 ARG 36 HB2 ARG 36 6.243 6.319 10.848
270 HB3 ARG 36 HB1 ARG 36 7.851 6.222 10.149
271 HG2 ARG 36 HG2 ARG 36 7.164 8.346 8.857
272 HG3 ARG 36 HG1 ARG 36 5.904 8.479 10.091
273 HD2 ARG 36 HD2 ARG 36 7.923 9.715 10.704
274 HD3 ARG 36 HD1 ARG 36 7.563 8.409 11.833
275 HE ARG 36 HE ARG 36 9.274 7.168 10.239
276 HH11 ARG 36 HH11 ARG 36 9.451 10.391 11.603
277 HH12 ARG 36 HH12 ARG 36 11.186 10.432 11.601
278 HH21 ARG 36 HH21 ARG 36 11.546 7.199 10.251
279 HH22 ARG 36 HH22 ARG 36 12.384 8.602 10.855
280 H ARG 37 HN ARG 37 8.577 5.612 7.771
281 HA ARG 37 HA ARG 37 8.652 7.872 6.087
282 HB2 ARG 37 HB2 ARG 37 10.659 6.751 6.982
283 HB3 ARG 37 HB1 ARG 37 10.322 5.354 5.970
284 HG2 ARG 37 HG2 ARG 37 12.065 6.734 5.000
285 HG3 ARG 37 HG1 ARG 37 10.630 6.721 3.971
286 HD2 ARG 37 HD2 ARG 37 9.958 8.883 4.830
287 HD3 ARG 37 HD1 ARG 37 11.317 8.891 5.948
288 HE ARG 37 HE ARG 37 12.791 9.103 4.044
289 HH11 ARG 37 HH11 ARG 37 9.389 9.555 3.369
290 HH12 ARG 37 HH12 ARG 37 9.663 10.556 1.980
291 HH21 ARG 37 HH21 ARG 37 13.160 10.439 2.225
292 HH22 ARG 37 HH22 ARG 37 11.807 11.064 1.330
293 H LEU 38 HN LEU 38 7.937 4.457 5.439
294 HA LEU 38 HA LEU 38 7.714 4.924 2.607
295 HB2 LEU 38 HB2 LEU 38 7.276 2.530 4.356
296 HB3 LEU 38 HB1 LEU 38 6.756 2.513 2.686
297 HG LEU 38 HG LEU 38 8.797 1.906 2.041
298 HD11 LEU 38 HD11 LEU 38 10.779 3.332 2.407
299 HD12 LEU 38 HD12 LEU 38 9.809 4.351 3.472
300 HD13 LEU 38 HD13 LEU 38 9.392 4.209 1.763
301 HD21 LEU 38 HD21 LEU 38 9.509 2.129 4.953
302 HD22 LEU 38 HD22 LEU 38 10.548 1.409 3.724
303 HD23 LEU 38 HD23 LEU 38 8.983 0.687 4.085
304 H LEU 39 HN LEU 39 5.584 4.917 5.314
305 HA LEU 39 HA LEU 39 3.110 4.512 4.040
306 HB2 LEU 39 HB2 LEU 39 4.061 5.646 6.588
307 HB3 LEU 39 HB1 LEU 39 2.502 6.234 6.055
308 HG LEU 39 HG LEU 39 1.499 4.126 6.246
309 HD11 LEU 39 HD11 LEU 39 2.765 2.045 6.624
310 HD12 LEU 39 HD12 LEU 39 4.265 2.942 6.387
311 HD13 LEU 39 HD13 LEU 39 3.113 2.780 5.061
312 HD21 LEU 39 HD21 LEU 39 3.550 4.207 8.450
313 HD22 LEU 39 HD22 LEU 39 1.961 3.438 8.504
314 HD23 LEU 39 HD23 LEU 39 2.089 5.194 8.396
315 H ALA 40 HN ALA 40 5.073 7.388 4.455
316 HA ALA 40 HA ALA 40 3.221 9.304 3.572
317 HB1 ALA 40 HB1 ALA 40 5.340 9.875 4.666
318 HB2 ALA 40 HB2 ALA 40 5.151 10.727 3.133
319 HB3 ALA 40 HB3 ALA 40 6.222 9.330 3.240
320 H LEU 41 HN LEU 41 5.126 6.981 1.809
321 HA LEU 41 HA LEU 41 4.900 8.106 -0.769
322 HB2 LEU 41 HB2 LEU 41 5.309 5.317 0.254
323 HB3 LEU 41 HB1 LEU 41 5.099 5.618 -1.460
324 HG LEU 41 HG LEU 41 7.172 7.216 -0.054
325 HD11 LEU 41 HD11 LEU 41 8.790 5.476 -0.106
326 HD12 LEU 41 HD12 LEU 41 7.664 4.376 -0.893
327 HD13 LEU 41 HD13 LEU 41 7.397 4.854 0.778
328 HD21 LEU 41 HD21 LEU 41 7.118 5.789 -2.709
329 HD22 LEU 41 HD22 LEU 41 8.296 6.991 -2.170
330 HD23 LEU 41 HD23 LEU 41 6.621 7.465 -2.460
331 H LEU 42 HN LEU 42 2.702 6.290 1.222
332 HA LEU 42 HA LEU 42 0.823 6.044 -1.030
333 HB2 LEU 42 HB2 LEU 42 0.662 4.711 1.670
334 HB3 LEU 42 HB1 LEU 42 -0.378 4.413 0.298
335 HG LEU 42 HG LEU 42 0.936 2.608 0.059
336 HD11 LEU 42 HD11 LEU 42 1.402 3.879 -1.943
337 HD12 LEU 42 HD12 LEU 42 2.812 2.931 -1.468
338 HD13 LEU 42 HD13 LEU 42 2.766 4.667 -1.149
339 HD21 LEU 42 HD21 LEU 42 3.150 2.342 0.931
340 HD22 LEU 42 HD22 LEU 42 2.112 3.056 2.162
341 HD23 LEU 42 HD23 LEU 42 3.262 4.065 1.281
342 H HIS 43 HN HIS 43 1.511 8.321 0.921
343 HA HIS 43 HA HIS 43 -0.374 8.819 2.818
344 HB2 HIS 43 HB2 HIS 43 0.285 11.086 2.754
345 HB3 HIS 43 HB1 HIS 43 1.682 10.177 2.210
346 HD1 HIS 43 HD1 HIS 43 -0.529 12.914 1.243
347 HD2 HIS 43 HD2 HIS 43 2.062 10.301 -0.692
348 HE1 HIS 43 HE1 HIS 43 -0.090 13.940 -1.009
349 HE2 HIS 43 HE2 HIS 43 1.325 12.247 -2.228
350 H ASP 44 HN ASP 44 -0.916 9.058 -0.636
351 HA ASP 44 HA ASP 44 -3.437 10.498 -0.178
352 HB2 ASP 44 HB2 ASP 44 -3.374 10.973 -2.609
353 HB3 ASP 44 HB1 ASP 44 -1.942 11.566 -1.771
354 H LEU 45 HN LEU 45 -2.714 7.433 -0.089
355 HA LEU 45 HA LEU 45 -4.604 6.515 -2.119
356 HB2 LEU 45 HB2 LEU 45 -2.614 5.018 -0.436
357 HB3 LEU 45 HB1 LEU 45 -3.784 4.224 -1.470
358 HG LEU 45 HG LEU 45 -1.619 6.116 -2.397
359 HD11 LEU 45 HD11 LEU 45 -0.783 3.938 -1.635
360 HD12 LEU 45 HD12 LEU 45 -0.609 4.142 -3.379
361 HD13 LEU 45 HD13 LEU 45 -1.905 3.135 -2.734
362 HD21 LEU 45 HD21 LEU 45 -2.302 5.395 -4.654
363 HD22 LEU 45 HD22 LEU 45 -3.574 6.283 -3.817
364 HD23 LEU 45 HD23 LEU 45 -3.664 4.526 -3.945
365 HA PRO 46 HA PRO 46 -6.414 4.259 1.611
366 HB2 PRO 46 HB2 PRO 46 -5.794 4.876 4.140
367 HB3 PRO 46 HB1 PRO 46 -4.778 3.827 3.154
368 HG2 PRO 46 HG2 PRO 46 -4.407 6.703 3.844
369 HG3 PRO 46 HG1 PRO 46 -3.205 5.403 3.729
370 HD2 PRO 46 HD2 PRO 46 -3.693 7.277 1.756
371 HD3 PRO 46 HD1 PRO 46 -2.943 5.695 1.482
372 H GLY 47 HN GLY 47 -7.987 4.695 3.500
373 HA2 GLY 47 HA2 GLY 47 -9.728 5.997 4.348
374 HA3 GLY 47 HA1 GLY 47 -9.139 7.369 3.406
375 H GLN 48 HN GLN 48 -8.988 5.010 1.300
376 HA GLN 48 HA GLN 48 -11.783 5.200 0.407
377 HB2 GLN 48 HB2 GLN 48 -9.239 5.424 -1.204
378 HB3 GLN 48 HB1 GLN 48 -10.801 5.100 -1.936
379 HG2 GLN 48 HG2 GLN 48 -11.651 7.217 -1.111
380 HG3 GLN 48 HG1 GLN 48 -10.109 7.541 -0.319
381 HE21 GLN 48 HE21 GLN 48 -11.782 7.297 -3.355
382 HE22 GLN 48 HE22 GLN 48 -10.583 8.095 -4.314
383 H GLU 49 HN GLU 49 -12.120 3.456 -1.402
384 HA GLU 49 HA GLU 49 -11.016 0.949 -0.358
385 HB2 GLU 49 HB2 GLU 49 -13.447 1.472 -2.083
386 HB3 GLU 49 HB1 GLU 49 -12.882 -0.131 -1.630
387 HG2 GLU 49 HG2 GLU 49 -13.166 0.488 0.740
388 HG3 GLU 49 HG1 GLU 49 -13.854 2.026 0.224
389 H LEU 50 HN LEU 50 -9.148 0.663 -1.320
390 HA LEU 50 HA LEU 50 -8.722 1.380 -4.091
391 HB2 LEU 50 HB2 LEU 50 -6.903 0.208 -1.985
392 HB3 LEU 50 HB1 LEU 50 -6.381 0.625 -3.603
393 HG LEU 50 HG LEU 50 -5.645 2.405 -2.283
394 HD11 LEU 50 HD11 LEU 50 -6.945 4.342 -2.942
395 HD12 LEU 50 HD12 LEU 50 -8.310 3.305 -3.353
396 HD13 LEU 50 HD13 LEU 50 -6.809 3.191 -4.271
397 HD21 LEU 50 HD21 LEU 50 -8.341 2.477 -0.942
398 HD22 LEU 50 HD22 LEU 50 -6.984 3.553 -0.610
399 HD23 LEU 50 HD23 LEU 50 -6.853 1.833 -0.250
400 H ASN 51 HN ASN 51 -8.602 -0.026 -5.775
401 HA ASN 51 HA ASN 51 -9.283 -2.800 -5.250
402 HB2 ASN 51 HB2 ASN 51 -9.666 -3.048 -7.580
403 HB3 ASN 51 HB1 ASN 51 -10.279 -1.451 -7.170
404 HD21 ASN 51 HD21 ASN 51 -9.249 0.364 -7.982
405 HD22 ASN 51 HD22 ASN 51 -8.049 0.271 -9.228
406 H LEU 52 HN LEU 52 -8.033 -4.454 -6.692
407 HA LEU 52 HA LEU 52 -5.595 -4.876 -5.510
408 HB2 LEU 52 HB2 LEU 52 -6.932 -5.951 -7.925
409 HB3 LEU 52 HB1 LEU 52 -5.217 -6.264 -7.778
410 HG LEU 52 HG LEU 52 -6.644 -8.104 -6.922
411 HD11 LEU 52 HD11 LEU 52 -4.922 -6.728 -4.869
412 HD12 LEU 52 HD12 LEU 52 -4.374 -7.850 -6.111
413 HD13 LEU 52 HD13 LEU 52 -5.430 -8.412 -4.818
414 HD21 LEU 52 HD21 LEU 52 -7.816 -7.830 -4.807
415 HD22 LEU 52 HD22 LEU 52 -8.475 -6.747 -6.033
416 HD23 LEU 52 HD23 LEU 52 -7.403 -6.116 -4.784
417 H SER 53 HN SER 53 -6.135 -3.376 -8.697
418 HA SER 53 HA SER 53 -3.461 -3.121 -9.446
419 HB2 SER 53 HB2 SER 53 -5.815 -1.337 -10.089
420 HB3 SER 53 HB1 SER 53 -4.251 -1.249 -10.898
421 HG SER 53 HG SER 53 -6.145 -3.350 -10.931
422 H GLN 54 HN GLN 54 -5.513 -0.896 -7.598
423 HA GLN 54 HA GLN 54 -3.556 1.124 -7.279
424 HB2 GLN 54 HB2 GLN 54 -5.969 0.470 -5.582
425 HB3 GLN 54 HB1 GLN 54 -5.039 1.957 -5.478
426 HG2 GLN 54 HG2 GLN 54 -5.661 2.534 -7.746
427 HG3 GLN 54 HG1 GLN 54 -6.522 1.006 -7.914
428 HE21 GLN 54 HE21 GLN 54 -6.589 4.203 -6.606
429 HE22 GLN 54 HE22 GLN 54 -8.233 4.173 -6.073
430 H LEU 55 HN LEU 55 -4.334 -1.790 -5.534
431 HA LEU 55 HA LEU 55 -2.961 -1.270 -3.144
432 HB2 LEU 55 HB2 LEU 55 -3.458 -3.924 -4.490
433 HB3 LEU 55 HB1 LEU 55 -3.007 -3.706 -2.818
434 HG LEU 55 HG LEU 55 -5.597 -2.830 -4.089
435 HD11 LEU 55 HD11 LEU 55 -5.338 -5.257 -3.686
436 HD12 LEU 55 HD12 LEU 55 -6.607 -4.523 -2.709
437 HD13 LEU 55 HD13 LEU 55 -5.050 -4.915 -1.981
438 HD21 LEU 55 HD21 LEU 55 -4.905 -1.240 -2.376
439 HD22 LEU 55 HD22 LEU 55 -4.663 -2.561 -1.232
440 HD23 LEU 55 HD23 LEU 55 -6.283 -2.195 -1.831
441 H HIS 56 HN HIS 56 -1.864 -3.161 -5.996
442 HA HIS 56 HA HIS 56 0.762 -3.385 -4.874
443 HB2 HIS 56 HB2 HIS 56 1.425 -4.465 -6.959
444 HB3 HIS 56 HB1 HIS 56 -0.046 -5.164 -6.308
445 HD1 HIS 56 HD1 HIS 56 1.204 -3.039 -9.153
446 HD2 HIS 56 HD2 HIS 56 -2.230 -5.062 -7.968
447 HE1 HIS 56 HE1 HIS 56 -0.302 -3.051 -11.168
448 HE2 HIS 56 HE2 HIS 56 -2.269 -4.477 -10.491
449 H ALA 57 HN ALA 57 -0.805 -1.118 -6.953
450 HA ALA 57 HA ALA 57 1.433 0.171 -8.050
451 HB1 ALA 57 HB1 ALA 57 -0.862 0.689 -8.731
452 HB2 ALA 57 HB2 ALA 57 0.008 2.145 -8.249
453 HB3 ALA 57 HB3 ALA 57 -1.167 1.418 -7.155
454 H ALA 58 HN ALA 58 -0.020 0.303 -4.873
455 HA ALA 58 HA ALA 58 1.412 2.459 -3.790
456 HB1 ALA 58 HB1 ALA 58 -0.509 1.469 -2.671
457 HB2 ALA 58 HB2 ALA 58 0.903 1.431 -1.614
458 HB3 ALA 58 HB3 ALA 58 0.381 -0.035 -2.442
459 H ALA 59 HN ALA 59 2.116 -1.004 -3.913
460 HA ALA 59 HA ALA 59 4.557 -0.929 -2.518
461 HB1 ALA 59 HB1 ALA 59 3.620 -2.875 -4.622
462 HB2 ALA 59 HB2 ALA 59 3.326 -2.995 -2.887
463 HB3 ALA 59 HB3 ALA 59 4.969 -3.128 -3.514
464 H ALA 60 HN ALA 60 3.729 -0.456 -5.888
465 HA ALA 60 HA ALA 60 6.317 -0.513 -6.968
466 HB1 ALA 60 HB1 ALA 60 4.274 -0.607 -8.324
467 HB2 ALA 60 HB2 ALA 60 5.368 0.660 -8.871
468 HB3 ALA 60 HB3 ALA 60 3.940 1.077 -7.925
469 H ARG 61 HN ARG 61 4.399 2.149 -5.639
470 HA ARG 61 HA ARG 61 6.101 4.287 -6.131
471 HB2 ARG 61 HB2 ARG 61 4.389 3.751 -3.696
472 HB3 ARG 61 HB1 ARG 61 5.141 5.297 -4.058
473 HG2 ARG 61 HG2 ARG 61 3.811 5.520 -6.060
474 HG3 ARG 61 HG1 ARG 61 3.115 3.918 -5.800
475 HD2 ARG 61 HD2 ARG 61 2.073 4.643 -3.763
476 HD3 ARG 61 HD1 ARG 61 2.883 6.200 -3.853
477 HE ARG 61 HE ARG 61 1.102 5.513 -6.054
478 HH11 ARG 61 HH11 ARG 61 1.634 7.273 -3.081
479 HH12 ARG 61 HH12 ARG 61 0.282 8.349 -3.320
480 HH21 ARG 61 HH21 ARG 61 -0.677 6.929 -6.378
481 HH22 ARG 61 HH22 ARG 61 -1.034 8.141 -5.182
482 H ILE 62 HN ILE 62 6.182 1.876 -3.581
483 HA ILE 62 HA ILE 62 8.318 3.151 -2.140
484 HB ILE 62 HB ILE 62 7.152 0.380 -1.858
485 HG12 ILE 62 HG12 ILE 62 6.578 2.908 -0.304
486 HG13 ILE 62 HG11 ILE 62 5.513 2.190 -1.508
487 HG21 ILE 62 HG21 ILE 62 9.354 0.470 -0.880
488 HG22 ILE 62 HG22 ILE 62 8.143 0.433 0.404
489 HG23 ILE 62 HG23 ILE 62 8.945 1.951 -0.012
490 HD11 ILE 62 HD11 ILE 62 5.184 0.261 -0.137
491 HD12 ILE 62 HD12 ILE 62 4.876 1.710 0.821
492 HD13 ILE 62 HD13 ILE 62 6.390 0.833 1.014
493 H GLY 63 HN GLY 63 7.950 0.456 -4.368
494 HA2 GLY 63 HA2 GLY 63 10.543 -0.589 -4.216
495 HA3 GLY 63 HA1 GLY 63 9.483 -0.695 -5.613
496 H ASP 64 HN ASP 64 9.220 1.992 -6.260
497 HA ASP 64 HA ASP 64 11.743 2.518 -7.529
498 HB2 ASP 64 HB2 ASP 64 9.126 4.029 -7.432
499 HB3 ASP 64 HB1 ASP 64 10.542 4.663 -8.259
500 H PHE 65 HN PHE 65 10.133 3.590 -4.641
501 HA PHE 65 HA PHE 65 11.522 5.968 -4.138
502 HB2 PHE 65 HB2 PHE 65 9.578 5.315 -2.810
503 HB3 PHE 65 HB1 PHE 65 10.451 3.924 -2.172
504 HD1 PHE 65 HD1 PHE 65 10.503 7.636 -2.288
505 HD2 PHE 65 HD2 PHE 65 11.707 4.115 -0.225
506 HE1 PHE 65 HE1 PHE 65 11.316 9.013 -0.420
507 HE2 PHE 65 HE2 PHE 65 12.522 5.487 1.647
508 HZ PHE 65 HZ PHE 65 12.338 7.932 1.550
509 H TYR 66 HN TYR 66 12.221 2.656 -3.079
510 HA TYR 66 HA TYR 66 14.685 3.155 -1.863
511 HB2 TYR 66 HB2 TYR 66 13.356 0.772 -3.053
512 HB3 TYR 66 HB1 TYR 66 15.080 0.668 -2.733
513 HD1 TYR 66 HD2 TYR 66 11.883 1.605 -1.030
514 HD2 TYR 66 HD1 TYR 66 15.801 -0.007 -0.664
515 HE1 TYR 66 HE2 TYR 66 11.428 1.043 1.319
516 HE2 TYR 66 HE1 TYR 66 15.363 -0.571 1.681
517 HH TYR 66 HH TYR 66 13.891 -0.576 3.332
518 H GLN 67 HN GLN 67 13.897 2.343 -5.215
519 HA GLN 67 HA GLN 67 16.504 2.151 -6.212
520 HB2 GLN 67 HB2 GLN 67 13.960 3.004 -7.602
521 HB3 GLN 67 HB1 GLN 67 15.460 2.608 -8.430
522 HG2 GLN 67 HG2 GLN 67 15.352 0.343 -7.553
523 HG3 GLN 67 HG1 GLN 67 13.870 0.734 -6.696
524 HE21 GLN 67 HE21 GLN 67 12.802 -0.916 -7.791
525 HE22 GLN 67 HE22 GLN 67 12.309 -0.751 -9.445
526 H GLU 68 HN GLU 68 14.386 4.933 -5.792
527 HA GLU 68 HA GLU 68 16.039 6.792 -7.155
528 HB2 GLU 68 HB2 GLU 68 13.600 7.079 -6.659
529 HB3 GLU 68 HB1 GLU 68 14.023 7.350 -4.976
530 HG2 GLU 68 HG2 GLU 68 15.254 9.334 -5.558
531 HG3 GLU 68 HG1 GLU 68 14.989 9.031 -7.274
532 H LYS 69 HN LYS 69 16.029 5.477 -3.952
533 HA LYS 69 HA LYS 69 17.884 7.474 -2.951
534 HB2 LYS 69 HB2 LYS 69 16.703 5.010 -1.663
535 HB3 LYS 69 HB1 LYS 69 17.790 6.128 -0.852
536 HG2 LYS 69 HG2 LYS 69 15.078 6.820 -1.968
537 HG3 LYS 69 HG1 LYS 69 15.455 6.541 -0.267
538 HD2 LYS 69 HD2 LYS 69 17.042 8.430 -0.347
539 HD3 LYS 69 HD1 LYS 69 16.568 8.732 -2.018
540 HE2 LYS 69 HE2 LYS 69 14.253 9.101 -1.264
541 HE3 LYS 69 HE1 LYS 69 14.775 8.861 0.403
542 HZ1 LYS 69 HZ1 LYS 69 16.240 10.775 0.175
543 HZ2 LYS 69 HZ2 LYS 69 14.637 11.207 -0.145
544 HZ3 LYS 69 HZ3 LYS 69 15.725 11.004 -1.418
545 H GLY 70 HN GLY 70 18.232 4.988 -4.976
546 HA2 GLY 70 HA2 GLY 70 20.464 4.518 -5.757
547 HA3 GLY 70 HA1 GLY 70 21.011 4.575 -4.089
548 H TYR 71 HN TYR 71 18.367 2.968 -3.585
549 HA TYR 71 HA TYR 71 19.726 0.415 -3.623
550 HB2 TYR 71 HB2 TYR 71 16.947 1.109 -2.651
551 HB3 TYR 71 HB1 TYR 71 17.804 -0.397 -2.344
552 HD1 TYR 71 HD1 TYR 71 19.846 -0.357 -0.921
553 HD2 TYR 71 HD2 TYR 71 17.296 3.018 -1.312
554 HE1 TYR 71 HE1 TYR 71 20.813 0.598 1.119
555 HE2 TYR 71 HE2 TYR 71 18.254 3.987 0.730
556 HH TYR 71 HH TYR 71 19.436 3.288 2.725
557 H VAL 72 HN VAL 72 19.780 0.438 -6.002
558 HA VAL 72 HA VAL 72 17.424 0.274 -7.568
559 HB VAL 72 HB VAL 72 20.190 -0.731 -8.262
560 HG11 VAL 72 HG11 VAL 72 17.888 0.114 -10.015
561 HG12 VAL 72 HG12 VAL 72 18.480 -1.532 -9.790
562 HG13 VAL 72 HG13 VAL 72 19.499 -0.329 -10.580
563 HG21 VAL 72 HG21 VAL 72 20.560 1.468 -9.265
564 HG22 VAL 72 HG22 VAL 72 20.263 1.598 -7.531
565 HG23 VAL 72 HG23 VAL 72 18.986 2.005 -8.678
566 H LEU 73 HN LEU 73 19.316 -2.060 -5.831
567 HA LEU 73 HA LEU 73 18.213 -4.362 -7.156
568 HB2 LEU 73 HB2 LEU 73 20.465 -4.325 -6.123
569 HB3 LEU 73 HB1 LEU 73 19.715 -4.167 -4.547
570 HG LEU 73 HG LEU 73 18.633 -6.379 -4.882
571 HD11 LEU 73 HD11 LEU 73 18.588 -6.444 -7.300
572 HD12 LEU 73 HD12 LEU 73 19.486 -7.827 -6.676
573 HD13 LEU 73 HD13 LEU 73 20.351 -6.450 -7.357
574 HD21 LEU 73 HD21 LEU 73 21.635 -6.322 -5.113
575 HD22 LEU 73 HD22 LEU 73 20.676 -7.691 -4.557
576 HD23 LEU 73 HD23 LEU 73 20.699 -6.194 -3.625
577 H ALA 74 HN ALA 74 16.990 -2.207 -4.927
578 HA ALA 74 HA ALA 74 15.478 -4.194 -3.419
579 HB1 ALA 74 HB1 ALA 74 15.623 -1.200 -3.125
580 HB2 ALA 74 HB2 ALA 74 16.496 -2.389 -2.159
581 HB3 ALA 74 HB3 ALA 74 14.737 -2.291 -2.059
582 H ARG 75 HN ARG 75 13.311 -4.459 -3.533
583 HA ARG 75 HA ARG 75 11.674 -2.633 -5.084
584 HB2 ARG 75 HB2 ARG 75 12.589 -4.295 -6.735
585 HB3 ARG 75 HB1 ARG 75 11.795 -5.566 -5.820
586 HG2 ARG 75 HG2 ARG 75 10.445 -5.015 -7.716
587 HG3 ARG 75 HG1 ARG 75 9.621 -4.465 -6.257
588 HD2 ARG 75 HD2 ARG 75 10.455 -2.189 -6.661
589 HD3 ARG 75 HD1 ARG 75 11.243 -2.747 -8.135
590 HE ARG 75 HE ARG 75 8.593 -3.453 -8.390
591 HH11 ARG 75 HH11 ARG 75 10.391 -0.473 -8.011
592 HH12 ARG 75 HH12 ARG 75 9.207 0.503 -8.831
593 HH21 ARG 75 HH21 ARG 75 7.056 -2.184 -9.503
594 HH22 ARG 75 HH22 ARG 75 7.328 -0.481 -9.699
595 H ALA 76 HN ALA 76 9.708 -2.470 -4.180
596 HA ALA 76 HA ALA 76 9.030 -4.337 -2.033
597 HB1 ALA 76 HB1 ALA 76 9.054 -1.963 -1.458
598 HB2 ALA 76 HB2 ALA 76 7.427 -2.630 -1.320
599 HB3 ALA 76 HB3 ALA 76 7.859 -1.640 -2.715
600 H PHE 77 HN PHE 77 7.225 -5.589 -2.080
601 HA PHE 77 HA PHE 77 5.367 -5.234 -4.314
602 HB2 PHE 77 HB2 PHE 77 5.344 -7.618 -4.802
603 HB3 PHE 77 HB1 PHE 77 6.981 -6.996 -4.966
604 HD1 PHE 77 HD1 PHE 77 8.690 -7.549 -3.294
605 HD2 PHE 77 HD2 PHE 77 4.793 -9.254 -3.149
606 HE1 PHE 77 HE1 PHE 77 9.513 -9.283 -1.762
607 HE2 PHE 77 HE2 PHE 77 5.609 -10.995 -1.614
608 HZ PHE 77 HZ PHE 77 7.948 -11.031 -0.928
609 H LEU 78 HN LEU 78 3.254 -5.766 -3.859
610 HA LEU 78 HA LEU 78 2.700 -6.171 -1.019
611 HB2 LEU 78 HB2 LEU 78 1.671 -4.271 -2.375
612 HB3 LEU 78 HB1 LEU 78 0.719 -5.493 -3.191
613 HG LEU 78 HG LEU 78 0.622 -5.186 -0.197
614 HD11 LEU 78 HD11 LEU 78 -1.073 -3.754 -2.242
615 HD12 LEU 78 HD12 LEU 78 0.087 -3.009 -1.141
616 HD13 LEU 78 HD13 LEU 78 -1.363 -3.781 -0.502
617 HD21 LEU 78 HD21 LEU 78 -1.344 -6.268 -2.214
618 HD22 LEU 78 HD22 LEU 78 -1.571 -6.214 -0.465
619 HD23 LEU 78 HD23 LEU 78 -0.311 -7.234 -1.160
620 HA PRO 79 HA PRO 79 1.842 -10.434 -2.124
621 HB2 PRO 79 HB2 PRO 79 1.348 -11.283 0.405
622 HB3 PRO 79 HB1 PRO 79 2.982 -11.038 -0.221
623 HG2 PRO 79 HG2 PRO 79 1.325 -9.239 1.502
624 HG3 PRO 79 HG1 PRO 79 3.047 -9.639 1.632
625 HD2 PRO 79 HD2 PRO 79 2.156 -7.331 0.526
626 HD3 PRO 79 HD1 PRO 79 3.648 -8.134 -0.005
627 H ALA 80 HN ALA 80 -0.102 -10.041 -3.232
628 HA ALA 80 HA ALA 80 -2.517 -9.526 -1.701
629 HB1 ALA 80 HB1 ALA 80 -3.606 -9.304 -3.868
630 HB2 ALA 80 HB2 ALA 80 -2.131 -9.839 -4.674
631 HB3 ALA 80 HB3 ALA 80 -2.149 -8.312 -3.792
632 H GLN 81 HN GLN 81 -1.952 -11.739 -0.684
633 HA GLN 81 HA GLN 81 -2.995 -13.967 -2.275
634 HB2 GLN 81 HB2 GLN 81 -1.856 -14.083 0.520
635 HB3 GLN 81 HB1 GLN 81 -2.077 -15.415 -0.604
636 HG2 GLN 81 HG2 GLN 81 -0.365 -14.461 -2.067
637 HG3 GLN 81 HG1 GLN 81 -0.137 -13.137 -0.926
638 HE21 GLN 81 HE21 GLN 81 0.803 -13.574 1.093
639 HE22 GLN 81 HE22 GLN 81 1.748 -14.997 1.360
640 H GLU 82 HN GLU 82 -3.659 -11.988 0.501
641 HA GLU 82 HA GLU 82 -6.387 -12.980 0.649
642 HB2 GLU 82 HB2 GLU 82 -5.150 -14.444 2.179
643 HB3 GLU 82 HB1 GLU 82 -4.474 -13.044 2.995
644 HG2 GLU 82 HG2 GLU 82 -6.737 -12.393 3.701
645 HG3 GLU 82 HG1 GLU 82 -7.371 -13.851 2.936
646 H ILE 83 HN ILE 83 -4.092 -11.037 2.549
647 HA ILE 83 HA ILE 83 -4.036 -8.872 3.181
648 HB ILE 83 HB ILE 83 -6.086 -8.391 1.038
649 HG12 ILE 83 HG12 ILE 83 -3.070 -8.160 1.010
650 HG13 ILE 83 HG11 ILE 83 -4.031 -9.342 0.127
651 HG21 ILE 83 HG21 ILE 83 -5.334 -6.050 1.168
652 HG22 ILE 83 HG22 ILE 83 -4.297 -6.473 2.532
653 HG23 ILE 83 HG23 ILE 83 -6.050 -6.599 2.684
654 HD11 ILE 83 HD11 ILE 83 -4.065 -6.369 -0.297
655 HD12 ILE 83 HD12 ILE 83 -5.023 -7.552 -1.188
656 HD13 ILE 83 HD13 ILE 83 -3.264 -7.559 -1.324
657 H GLN 84 HN GLN 84 -4.779 -8.820 5.205
658 HA GLN 84 HA GLN 84 -7.451 -8.974 6.039
659 HB2 GLN 84 HB2 GLN 84 -6.677 -7.780 8.081
660 HB3 GLN 84 HB1 GLN 84 -5.659 -9.147 7.660
661 HG2 GLN 84 HG2 GLN 84 -4.975 -6.330 6.879
662 HG3 GLN 84 HG1 GLN 84 -4.496 -7.031 8.421
663 HE21 GLN 84 HE21 GLN 84 -2.943 -6.089 6.074
664 HE22 GLN 84 HE22 GLN 84 -1.914 -7.420 5.659
665 H ASP 85 HN ASP 85 -9.038 -7.417 6.318
666 HA ASP 85 HA ASP 85 -8.836 -5.166 4.537
667 HB2 ASP 85 HB2 ASP 85 -11.158 -4.799 4.930
668 HB3 ASP 85 HB1 ASP 85 -10.935 -6.541 4.841
669 H GLY 86 HN GLY 86 -8.766 -3.017 5.053
670 HA2 GLY 86 HA2 GLY 86 -8.843 -1.191 6.587
671 HA3 GLY 86 HA1 GLY 86 -8.522 -2.320 7.897
672 H THR 87 HN THR 87 -6.337 -3.692 6.886
673 HA THR 87 HA THR 87 -4.324 -1.569 6.557
674 HB THR 87 HB THR 87 -3.976 -4.085 8.179
675 HG1 THR 87 HG1 THR 87 -4.411 -2.914 9.961
676 HG21 THR 87 HG21 THR 87 -1.906 -3.246 7.272
677 HG22 THR 87 HG22 THR 87 -1.953 -2.927 9.005
678 HG23 THR 87 HG23 THR 87 -2.265 -1.625 7.859
679 H VAL 88 HN VAL 88 -3.219 -1.859 4.711
680 HA VAL 88 HA VAL 88 -2.977 -4.592 3.659
681 HB VAL 88 HB VAL 88 -2.363 -3.586 1.519
682 HG11 VAL 88 HG11 VAL 88 -4.858 -2.436 2.751
683 HG12 VAL 88 HG12 VAL 88 -4.702 -3.994 1.938
684 HG13 VAL 88 HG13 VAL 88 -4.525 -2.496 1.019
685 HG21 VAL 88 HG21 VAL 88 -1.242 -1.578 2.386
686 HG22 VAL 88 HG22 VAL 88 -2.809 -0.925 2.870
687 HG23 VAL 88 HG23 VAL 88 -2.450 -1.183 1.162
688 H ARG 89 HN ARG 89 -1.023 -5.588 3.566
689 HA ARG 89 HA ARG 89 1.233 -3.997 4.569
690 HB2 ARG 89 HB2 ARG 89 0.340 -5.969 5.958
691 HB3 ARG 89 HB1 ARG 89 1.094 -6.993 4.742
692 HG2 ARG 89 HG2 ARG 89 3.258 -6.018 5.212
693 HG3 ARG 89 HG1 ARG 89 2.530 -4.900 6.361
694 HD2 ARG 89 HD2 ARG 89 1.762 -6.871 7.673
695 HD3 ARG 89 HD1 ARG 89 2.701 -7.890 6.583
696 HE ARG 89 HE ARG 89 4.206 -5.758 7.813
697 HH11 ARG 89 HH11 ARG 89 3.129 -9.076 8.103
698 HH12 ARG 89 HH12 ARG 89 4.384 -9.516 9.217
699 HH21 ARG 89 HH21 ARG 89 5.856 -6.336 9.290
700 HH22 ARG 89 HH22 ARG 89 5.928 -7.963 9.891
701 H ILE 90 HN ILE 90 2.987 -3.803 3.432
702 HA ILE 90 HA ILE 90 3.203 -5.275 0.890
703 HB ILE 90 HB ILE 90 4.349 -2.582 1.653
704 HG12 ILE 90 HG12 ILE 90 2.064 -3.260 -0.210
705 HG13 ILE 90 HG11 ILE 90 1.889 -2.576 1.402
706 HG21 ILE 90 HG21 ILE 90 5.747 -3.763 0.044
707 HG22 ILE 90 HG22 ILE 90 4.950 -2.379 -0.706
708 HG23 ILE 90 HG23 ILE 90 4.348 -4.010 -1.001
709 HD11 ILE 90 HD11 ILE 90 1.644 -0.869 -0.296
710 HD12 ILE 90 HD12 ILE 90 3.235 -1.262 -0.945
711 HD13 ILE 90 HD13 ILE 90 3.090 -0.575 0.672
712 H GLU 91 HN GLU 91 5.033 -6.449 0.505
713 HA GLU 91 HA GLU 91 6.963 -6.588 2.691
714 HB2 GLU 91 HB2 GLU 91 6.479 -8.406 0.330
715 HB3 GLU 91 HB1 GLU 91 7.791 -8.627 1.479
716 HG2 GLU 91 HG2 GLU 91 6.045 -8.741 3.285
717 HG3 GLU 91 HG1 GLU 91 4.839 -8.795 2.003
718 H VAL 92 HN VAL 92 8.865 -5.700 2.575
719 HA VAL 92 HA VAL 92 9.658 -4.448 0.051
720 HB VAL 92 HB VAL 92 10.697 -3.954 2.849
721 HG11 VAL 92 HG11 VAL 92 11.142 -2.424 0.288
722 HG12 VAL 92 HG12 VAL 92 12.336 -3.411 1.133
723 HG13 VAL 92 HG13 VAL 92 11.710 -1.945 1.888
724 HG21 VAL 92 HG21 VAL 92 9.414 -1.843 2.710
725 HG22 VAL 92 HG22 VAL 92 8.383 -3.275 2.692
726 HG23 VAL 92 HG23 VAL 92 8.708 -2.403 1.194
727 H LEU 93 HN LEU 93 10.967 -5.683 -1.135
728 HA LEU 93 HA LEU 93 12.956 -7.366 0.185
729 HB2 LEU 93 HB2 LEU 93 11.603 -8.325 -1.647
730 HB3 LEU 93 HB1 LEU 93 12.241 -7.113 -2.741
731 HG LEU 93 HG LEU 93 14.511 -8.052 -2.418
732 HD11 LEU 93 HD11 LEU 93 14.743 -10.253 -1.356
733 HD12 LEU 93 HD12 LEU 93 13.057 -10.171 -0.841
734 HD13 LEU 93 HD13 LEU 93 14.230 -9.014 -0.210
735 HD21 LEU 93 HD21 LEU 93 12.419 -10.021 -3.335
736 HD22 LEU 93 HD22 LEU 93 14.138 -10.090 -3.723
737 HD23 LEU 93 HD23 LEU 93 13.156 -8.749 -4.311
738 H GLU 94 HN GLU 94 14.507 -5.996 0.898
739 HA GLU 94 HA GLU 94 15.437 -3.785 -0.677
740 HB2 GLU 94 HB2 GLU 94 16.592 -4.924 1.869
741 HB3 GLU 94 HB1 GLU 94 16.907 -3.330 1.196
742 HG2 GLU 94 HG2 GLU 94 14.549 -2.740 1.523
743 HG3 GLU 94 HG1 GLU 94 14.260 -4.329 2.227
744 H GLY 95 HN GLY 95 16.117 -7.065 -0.619
745 HA2 GLY 95 HA2 GLY 95 17.680 -7.423 -2.673
746 HA3 GLY 95 HA1 GLY 95 18.863 -6.731 -1.572
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 -12.023 17.071 14.086
2 H2 MET 1 HT2 MET 1 -13.318 17.089 13.001
3 H3 MET 1 HT3 MET 1 -11.732 17.171 12.427
4 HA MET 1 HA MET 1 -12.679 14.981 12.102
5 HB2 MET 1 HB2 MET 1 -10.840 13.706 13.021
6 HB3 MET 1 HB1 MET 1 -10.243 15.264 12.470
7 HG2 MET 1 HG2 MET 1 -10.199 16.083 14.753
8 HG3 MET 1 HG1 MET 1 -10.872 14.560 15.330
9 HE1 MET 1 HE1 MET 1 -8.240 15.873 16.522
10 HE2 MET 1 HE2 MET 1 -7.179 14.471 16.656
11 HE3 MET 1 HE3 MET 1 -8.882 14.333 17.092
12 H ALA 2 HN ALA 2 -13.812 16.422 14.779
13 HA ALA 2 HA ALA 2 -14.321 13.991 16.311
14 HB1 ALA 2 HB1 ALA 2 -15.283 15.482 17.982
15 HB2 ALA 2 HB2 ALA 2 -15.079 16.851 16.890
16 HB3 ALA 2 HB3 ALA 2 -13.664 16.009 17.521
17 H HIS 3 HN HIS 3 -15.815 16.024 14.007
18 HA HIS 3 HA HIS 3 -18.525 15.258 14.633
19 HB2 HIS 3 HB2 HIS 3 -17.959 17.461 13.631
20 HB3 HIS 3 HB1 HIS 3 -17.399 16.638 12.184
21 HD1 HIS 3 HD1 HIS 3 -19.083 17.522 10.552
22 HD2 HIS 3 HD2 HIS 3 -20.850 15.864 13.927
23 HE1 HIS 3 HE1 HIS 3 -21.550 17.488 10.072
24 HE2 HIS 3 HE2 HIS 3 -22.606 16.692 12.215
25 H HIS 4 HN HIS 4 -18.230 12.995 14.614
26 HA HIS 4 HA HIS 4 -18.454 10.917 13.756
27 HB2 HIS 4 HB2 HIS 4 -18.904 12.381 11.153
28 HB3 HIS 4 HB1 HIS 4 -19.017 10.634 11.319
29 HD1 HIS 4 HD1 HIS 4 -21.009 13.624 11.482
30 HD2 HIS 4 HD2 HIS 4 -21.122 9.878 13.277
31 HE1 HIS 4 HE1 HIS 4 -23.343 13.378 12.387
32 HE2 HIS 4 HE2 HIS 4 -23.396 11.099 13.458
33 H HIS 5 HN HIS 5 -17.413 9.361 12.178
34 HA HIS 5 HA HIS 5 -14.732 10.239 11.390
35 HB2 HIS 5 HB2 HIS 5 -15.377 7.844 13.117
36 HB3 HIS 5 HB1 HIS 5 -13.831 8.063 12.306
37 HD1 HIS 5 HD1 HIS 5 -15.680 8.972 15.335
38 HD2 HIS 5 HD2 HIS 5 -12.346 10.357 13.274
39 HE1 HIS 5 HE1 HIS 5 -14.455 10.452 16.951
40 HE2 HIS 5 HE2 HIS 5 -12.536 11.406 15.629
41 H HIS 6 HN HIS 6 -16.309 10.176 9.461
42 HA HIS 6 HA HIS 6 -16.659 7.441 8.464
43 HB2 HIS 6 HB2 HIS 6 -18.416 8.308 7.023
44 HB3 HIS 6 HB1 HIS 6 -18.729 8.758 8.693
45 HD1 HIS 6 HD1 HIS 6 -17.965 10.182 5.339
46 HD2 HIS 6 HD2 HIS 6 -18.587 11.530 9.218
47 HE1 HIS 6 HE1 HIS 6 -18.307 12.660 5.141
48 HE2 HIS 6 HE2 HIS 6 -18.867 13.421 7.472
49 H HIS 7 HN HIS 7 -14.127 8.915 8.274
50 HA HIS 7 HA HIS 7 -13.817 9.655 5.517
51 HB2 HIS 7 HB2 HIS 7 -11.865 9.155 7.753
52 HB3 HIS 7 HB1 HIS 7 -11.310 9.397 6.101
53 HD1 HIS 7 HD1 HIS 7 -10.855 11.320 8.651
54 HD2 HIS 7 HD2 HIS 7 -13.485 11.904 5.490
55 HE1 HIS 7 HE1 HIS 7 -11.229 13.800 8.534
56 HE2 HIS 7 HE2 HIS 7 -12.670 14.139 6.499
57 H HIS 8 HN HIS 8 -15.006 7.564 4.978
58 HA HIS 8 HA HIS 8 -13.024 5.571 4.168
59 HB2 HIS 8 HB2 HIS 8 -15.612 4.887 5.593
60 HB3 HIS 8 HB1 HIS 8 -14.553 3.717 4.818
61 HD1 HIS 8 HD1 HIS 8 -15.323 4.915 8.039
62 HD2 HIS 8 HD2 HIS 8 -11.770 4.002 6.079
63 HE1 HIS 8 HE1 HIS 8 -13.615 4.588 9.853
64 HE2 HIS 8 HE2 HIS 8 -11.440 4.209 8.637
65 H VAL 9 HN VAL 9 -13.291 6.460 2.100
66 HA VAL 9 HA VAL 9 -15.865 6.924 0.965
67 HB VAL 9 HB VAL 9 -13.210 6.733 -0.453
68 HG11 VAL 9 HG11 VAL 9 -14.301 8.156 -2.144
69 HG12 VAL 9 HG12 VAL 9 -15.818 8.008 -1.259
70 HG13 VAL 9 HG13 VAL 9 -15.077 6.581 -1.983
71 HG21 VAL 9 HG21 VAL 9 -14.595 9.154 0.692
72 HG22 VAL 9 HG22 VAL 9 -13.109 9.166 -0.256
73 HG23 VAL 9 HG23 VAL 9 -13.135 8.401 1.331
74 H ASP 10 HN ASP 10 -17.104 5.147 0.806
75 HA ASP 10 HA ASP 10 -16.079 2.792 -0.596
76 HB2 ASP 10 HB2 ASP 10 -18.128 1.688 0.073
77 HB3 ASP 10 HB1 ASP 10 -17.448 2.501 1.478
78 H ASP 11 HN ASP 11 -16.875 5.594 -1.647
79 HA ASP 11 HA ASP 11 -19.003 4.945 -3.509
80 HB2 ASP 11 HB2 ASP 11 -17.406 7.481 -3.112
81 HB3 ASP 11 HB1 ASP 11 -18.706 7.302 -4.285
82 H ASP 12 HN ASP 12 -15.830 4.255 -3.449
83 HA ASP 12 HA ASP 12 -15.296 4.815 -6.251
84 HB2 ASP 12 HB2 ASP 12 -13.660 3.694 -3.996
85 HB3 ASP 12 HB1 ASP 12 -13.148 3.437 -5.661
86 H ASP 13 HN ASP 13 -16.160 3.553 -7.717
87 HA ASP 13 HA ASP 13 -17.328 1.034 -7.005
88 HB2 ASP 13 HB2 ASP 13 -18.316 1.045 -9.177
89 HB3 ASP 13 HB1 ASP 13 -18.356 2.705 -8.594
90 H LYS 14 HN LYS 14 -17.126 -0.832 -8.561
91 HA LYS 14 HA LYS 14 -14.482 -1.178 -9.691
92 HB2 LYS 14 HB2 LYS 14 -14.246 -3.405 -8.543
93 HB3 LYS 14 HB1 LYS 14 -14.065 -1.998 -7.507
94 HG2 LYS 14 HG2 LYS 14 -15.393 -3.349 -6.222
95 HG3 LYS 14 HG1 LYS 14 -16.577 -2.338 -7.046
96 HD2 LYS 14 HD2 LYS 14 -16.916 -4.127 -8.713
97 HD3 LYS 14 HD1 LYS 14 -15.780 -5.146 -7.821
98 HE2 LYS 14 HE2 LYS 14 -18.142 -5.658 -7.310
99 HE3 LYS 14 HE1 LYS 14 -17.224 -5.150 -5.896
100 HZ1 LYS 14 HZ1 LYS 14 -18.183 -2.951 -6.093
101 HZ2 LYS 14 HZ2 LYS 14 -19.410 -4.108 -5.980
102 HZ3 LYS 14 HZ3 LYS 14 -19.042 -3.411 -7.475
103 H MET 15 HN MET 15 -14.342 -3.003 -11.141
104 HA MET 15 HA MET 15 -16.900 -4.220 -11.875
105 HB2 MET 15 HB2 MET 15 -16.673 -2.298 -13.355
106 HB3 MET 15 HB1 MET 15 -15.056 -2.811 -13.814
107 HG2 MET 15 HG2 MET 15 -16.005 -4.846 -14.808
108 HG3 MET 15 HG1 MET 15 -17.618 -4.280 -14.386
109 HE1 MET 15 HE1 MET 15 -16.739 -5.153 -17.323
110 HE2 MET 15 HE2 MET 15 -17.503 -3.887 -18.284
111 HE3 MET 15 HE3 MET 15 -18.362 -4.596 -16.919
112 H GLY 16 HN GLY 16 -13.428 -4.103 -12.704
113 HA2 GLY 16 HA2 GLY 16 -13.300 -6.768 -13.645
114 HA3 GLY 16 HA1 GLY 16 -11.931 -5.787 -13.142
115 H GLY 17 HN GLY 17 -12.611 -5.333 -10.485
116 HA2 GLY 17 HA2 GLY 17 -13.176 -7.863 -9.210
117 HA3 GLY 17 HA1 GLY 17 -11.498 -7.353 -9.082
118 HA PRO 18 HA PRO 18 -14.631 -5.301 -5.939
119 HB2 PRO 18 HB2 PRO 18 -13.736 -6.821 -3.780
120 HB3 PRO 18 HB1 PRO 18 -15.264 -7.039 -4.634
121 HG2 PRO 18 HG2 PRO 18 -12.685 -8.504 -4.954
122 HG3 PRO 18 HG1 PRO 18 -14.346 -9.120 -5.037
123 HD2 PRO 18 HD2 PRO 18 -12.906 -8.720 -7.254
124 HD3 PRO 18 HD1 PRO 18 -14.647 -8.363 -7.215
125 H THR 19 HN THR 19 -13.924 -3.599 -4.816
126 HA THR 19 HA THR 19 -11.065 -3.120 -4.636
127 HB THR 19 HB THR 19 -11.970 -0.861 -3.715
128 HG1 THR 19 HG1 THR 19 -14.130 -0.452 -4.290
129 HG21 THR 19 HG21 THR 19 -10.992 -0.973 -5.886
130 HG22 THR 19 HG22 THR 19 -12.522 -0.108 -6.049
131 HG23 THR 19 HG23 THR 19 -12.403 -1.796 -6.544
132 H VAL 20 HN VAL 20 -10.035 -2.467 -2.643
133 HA VAL 20 HA VAL 20 -11.389 -3.473 -0.231
134 HB VAL 20 HB VAL 20 -8.449 -3.340 -0.745
135 HG11 VAL 20 HG11 VAL 20 -8.222 -4.605 1.339
136 HG12 VAL 20 HG12 VAL 20 -9.967 -4.502 1.579
137 HG13 VAL 20 HG13 VAL 20 -8.986 -3.037 1.607
138 HG21 VAL 20 HG21 VAL 20 -10.271 -5.731 -0.642
139 HG22 VAL 20 HG22 VAL 20 -8.517 -5.780 -0.820
140 HG23 VAL 20 HG23 VAL 20 -9.513 -5.070 -2.090
141 H LEU 21 HN LEU 21 -11.853 -2.009 1.278
142 HA LEU 21 HA LEU 21 -11.045 0.705 1.054
143 HB2 LEU 21 HB2 LEU 21 -13.169 0.108 2.084
144 HB3 LEU 21 HB1 LEU 21 -12.337 -0.787 3.341
145 HG LEU 21 HG LEU 21 -11.283 1.379 4.066
146 HD11 LEU 21 HD11 LEU 21 -11.593 2.628 1.991
147 HD12 LEU 21 HD12 LEU 21 -12.334 3.459 3.358
148 HD13 LEU 21 HD13 LEU 21 -13.341 2.571 2.214
149 HD21 LEU 21 HD21 LEU 21 -13.177 0.380 5.231
150 HD22 LEU 21 HD22 LEU 21 -14.289 1.227 4.155
151 HD23 LEU 21 HD23 LEU 21 -13.260 2.142 5.256
152 H VAL 22 HN VAL 22 -8.939 1.099 1.224
153 HA VAL 22 HA VAL 22 -7.283 -0.203 3.186
154 HB VAL 22 HB VAL 22 -6.643 2.115 1.355
155 HG11 VAL 22 HG11 VAL 22 -5.165 1.886 3.344
156 HG12 VAL 22 HG12 VAL 22 -4.327 1.635 1.813
157 HG13 VAL 22 HG13 VAL 22 -4.769 0.251 2.813
158 HG21 VAL 22 HG21 VAL 22 -6.129 -0.834 1.017
159 HG22 VAL 22 HG22 VAL 22 -5.532 0.439 -0.045
160 HG23 VAL 22 HG23 VAL 22 -7.264 0.144 0.089
161 H LYS 23 HN LYS 23 -6.918 0.478 5.176
162 HA LYS 23 HA LYS 23 -7.784 3.191 5.913
163 HB2 LYS 23 HB2 LYS 23 -7.431 0.744 7.662
164 HB3 LYS 23 HB1 LYS 23 -8.015 2.315 8.197
165 HG2 LYS 23 HG2 LYS 23 -10.001 2.097 6.869
166 HG3 LYS 23 HG1 LYS 23 -9.392 0.617 6.128
167 HD2 LYS 23 HD2 LYS 23 -9.390 -0.436 8.384
168 HD3 LYS 23 HD1 LYS 23 -10.150 1.024 9.018
169 HE2 LYS 23 HE2 LYS 23 -12.076 0.694 7.609
170 HE3 LYS 23 HE1 LYS 23 -11.300 -0.670 6.805
171 HZ1 LYS 23 HZ1 LYS 23 -12.897 -1.414 8.446
172 HZ2 LYS 23 HZ2 LYS 23 -12.090 -0.569 9.667
173 HZ3 LYS 23 HZ3 LYS 23 -11.335 -1.873 8.901
174 H ARG 24 HN ARG 24 -5.168 0.844 6.111
175 HA ARG 24 HA ARG 24 -3.271 2.980 6.553
176 HB2 ARG 24 HB2 ARG 24 -2.272 2.026 8.558
177 HB3 ARG 24 HB1 ARG 24 -3.961 2.415 8.856
178 HG2 ARG 24 HG2 ARG 24 -4.585 0.109 8.698
179 HG3 ARG 24 HG1 ARG 24 -2.962 -0.341 8.175
180 HD2 ARG 24 HD2 ARG 24 -3.253 -0.886 10.514
181 HD3 ARG 24 HD1 ARG 24 -2.078 0.415 10.341
182 HE ARG 24 HE ARG 24 -4.873 1.059 10.967
183 HH11 ARG 24 HH11 ARG 24 -1.504 0.956 11.935
184 HH12 ARG 24 HH12 ARG 24 -1.727 2.023 13.284
185 HH21 ARG 24 HH21 ARG 24 -5.168 2.445 12.754
186 HH22 ARG 24 HH22 ARG 24 -3.817 2.859 13.760
187 H PHE 25 HN PHE 25 -1.041 2.235 6.400
188 HA PHE 25 HA PHE 25 -0.791 -0.245 4.821
189 HB2 PHE 25 HB2 PHE 25 0.759 2.350 4.644
190 HB3 PHE 25 HB1 PHE 25 1.257 0.868 3.835
191 HD1 PHE 25 HD1 PHE 25 -1.584 3.246 4.099
192 HD2 PHE 25 HD2 PHE 25 0.463 0.380 1.717
193 HE1 PHE 25 HE1 PHE 25 -3.027 3.801 2.197
194 HE2 PHE 25 HE2 PHE 25 -0.978 0.933 -0.195
195 HZ PHE 25 HZ PHE 25 -2.732 2.646 0.046
196 H GLN 26 HN GLN 26 0.796 -1.666 5.341
197 HA GLN 26 HA GLN 26 2.552 -0.999 7.610
198 HB2 GLN 26 HB2 GLN 26 0.665 -2.411 8.356
199 HB3 GLN 26 HB1 GLN 26 1.076 -3.604 7.137
200 HG2 GLN 26 HG2 GLN 26 1.806 -4.215 9.413
201 HG3 GLN 26 HG1 GLN 26 3.131 -4.126 8.254
202 HE21 GLN 26 HE21 GLN 26 4.763 -2.730 8.593
203 HE22 GLN 26 HE22 GLN 26 4.869 -1.658 9.948
204 H LEU 27 HN LEU 27 4.650 -1.380 7.191
205 HA LEU 27 HA LEU 27 5.292 -2.830 4.723
206 HB2 LEU 27 HB2 LEU 27 6.843 -0.820 6.353
207 HB3 LEU 27 HB1 LEU 27 7.559 -1.738 5.047
208 HG LEU 27 HG LEU 27 7.033 0.435 4.223
209 HD11 LEU 27 HD11 LEU 27 6.663 -1.348 2.652
210 HD12 LEU 27 HD12 LEU 27 5.466 -0.076 2.409
211 HD13 LEU 27 HD13 LEU 27 5.014 -1.562 3.241
212 HD21 LEU 27 HD21 LEU 27 4.217 -0.017 5.195
213 HD22 LEU 27 HD22 LEU 27 4.762 1.353 4.228
214 HD23 LEU 27 HD23 LEU 27 5.385 1.123 5.861
215 H SER 28 HN SER 28 6.505 -4.610 4.729
216 HA SER 28 HA SER 28 7.716 -5.467 7.263
217 HB2 SER 28 HB2 SER 28 5.967 -7.117 5.420
218 HB3 SER 28 HB1 SER 28 6.932 -7.791 6.740
219 HG SER 28 HG SER 28 5.692 -5.925 7.919
220 H GLY 29 HN GLY 29 9.743 -6.219 7.085
221 HA2 GLY 29 HA2 GLY 29 11.519 -7.352 5.969
222 HA3 GLY 29 HA1 GLY 29 10.728 -7.023 4.435
223 H ASN 30 HN ASN 30 10.329 -4.218 5.782
224 HA ASN 30 HA ASN 30 12.580 -3.009 4.469
225 HB2 ASN 30 HB2 ASN 30 11.560 -0.864 5.213
226 HB3 ASN 30 HB1 ASN 30 10.444 -1.886 4.318
227 HD21 ASN 30 HD21 ASN 30 10.098 0.285 6.363
228 HD22 ASN 30 HD22 ASN 30 9.031 -0.406 7.540
229 H ARG 31 HN ARG 31 14.409 -2.286 5.336
230 HA ARG 31 HA ARG 31 14.580 -2.161 8.282
231 HB2 ARG 31 HB2 ARG 31 16.734 -3.113 6.385
232 HB3 ARG 31 HB1 ARG 31 16.881 -2.992 8.132
233 HG2 ARG 31 HG2 ARG 31 14.973 -4.807 6.671
234 HG3 ARG 31 HG1 ARG 31 16.518 -5.293 7.368
235 HD2 ARG 31 HD2 ARG 31 14.184 -4.145 8.894
236 HD3 ARG 31 HD1 ARG 31 14.629 -5.850 8.828
237 HE ARG 31 HE ARG 31 16.859 -4.416 9.695
238 HH11 ARG 31 HH11 ARG 31 13.646 -5.221 10.811
239 HH12 ARG 31 HH12 ARG 31 14.076 -5.159 12.489
240 HH21 ARG 31 HH21 ARG 31 17.428 -4.324 11.901
241 HH22 ARG 31 HH22 ARG 31 16.225 -4.636 13.111
242 H GLN 32 HN GLN 32 15.708 -0.967 5.167
243 HA GLN 32 HA GLN 32 17.478 0.991 6.215
244 HB2 GLN 32 HB2 GLN 32 17.438 0.051 3.845
245 HB3 GLN 32 HB1 GLN 32 16.083 1.131 3.545
246 HG2 GLN 32 HG2 GLN 32 18.148 2.116 2.775
247 HG3 GLN 32 HG1 GLN 32 17.480 3.045 4.118
248 HE21 GLN 32 HE21 GLN 32 19.436 3.935 4.693
249 HE22 GLN 32 HE22 GLN 32 20.708 3.014 5.417
250 H PHE 33 HN PHE 33 14.128 1.105 5.096
251 HA PHE 33 HA PHE 33 13.869 3.721 6.428
252 HB2 PHE 33 HB2 PHE 33 12.403 2.803 3.945
253 HB3 PHE 33 HB1 PHE 33 12.202 4.353 4.753
254 HD1 PHE 33 HD2 PHE 33 14.190 5.923 4.851
255 HD2 PHE 33 HD1 PHE 33 14.060 2.504 2.321
256 HE1 PHE 33 HE2 PHE 33 15.988 6.877 3.471
257 HE2 PHE 33 HE1 PHE 33 15.855 3.456 0.938
258 HZ PHE 33 HZ PHE 33 16.821 5.645 1.511
259 H ASP 34 HN ASP 34 12.175 3.965 7.786
260 HA ASP 34 HA ASP 34 10.912 1.523 8.665
261 HB2 ASP 34 HB2 ASP 34 10.162 2.806 10.575
262 HB3 ASP 34 HB1 ASP 34 11.857 3.173 10.269
263 H ASP 35 HN ASP 35 8.525 1.874 9.483
264 HA ASP 35 HA ASP 35 6.904 1.823 7.229
265 HB2 ASP 35 HB2 ASP 35 6.146 2.339 10.105
266 HB3 ASP 35 HB1 ASP 35 4.977 2.058 8.822
267 H ARG 36 HN ARG 36 7.400 4.458 9.542
268 HA ARG 36 HA ARG 36 5.388 6.147 8.529
269 HB2 ARG 36 HB2 ARG 36 7.889 6.835 10.072
270 HB3 ARG 36 HB1 ARG 36 6.526 7.919 9.819
271 HG2 ARG 36 HG2 ARG 36 5.075 6.487 11.077
272 HG3 ARG 36 HG1 ARG 36 6.336 5.259 11.209
273 HD2 ARG 36 HD2 ARG 36 7.702 6.790 12.511
274 HD3 ARG 36 HD1 ARG 36 6.471 8.042 12.355
275 HE ARG 36 HE ARG 36 5.137 5.954 13.463
276 HH11 ARG 36 HH11 ARG 36 8.067 7.664 14.310
277 HH12 ARG 36 HH12 ARG 36 7.865 7.425 16.015
278 HH21 ARG 36 HH21 ARG 36 4.872 5.625 15.709
279 HH22 ARG 36 HH22 ARG 36 6.045 6.269 16.813
280 H ARG 37 HN ARG 37 8.619 5.524 7.508
281 HA ARG 37 HA ARG 37 8.869 7.903 5.911
282 HB2 ARG 37 HB2 ARG 37 10.820 6.746 6.912
283 HB3 ARG 37 HB1 ARG 37 10.504 5.360 5.880
284 HG2 ARG 37 HG2 ARG 37 12.310 6.722 5.000
285 HG3 ARG 37 HG1 ARG 37 10.927 6.722 3.905
286 HD2 ARG 37 HD2 ARG 37 10.265 8.899 4.623
287 HD3 ARG 37 HD1 ARG 37 11.449 8.890 5.928
288 HE ARG 37 HE ARG 37 13.176 8.893 4.138
289 HH11 ARG 37 HH11 ARG 37 9.960 10.102 3.447
290 HH12 ARG 37 HH12 ARG 37 10.499 11.161 2.185
291 HH21 ARG 37 HH21 ARG 37 13.881 10.293 2.488
292 HH22 ARG 37 HH22 ARG 37 12.723 11.266 1.638
293 H LEU 38 HN LEU 38 7.915 4.554 5.417
294 HA LEU 38 HA LEU 38 7.864 4.897 2.539
295 HB2 LEU 38 HB2 LEU 38 7.396 2.565 4.354
296 HB3 LEU 38 HB1 LEU 38 6.896 2.499 2.679
297 HG LEU 38 HG LEU 38 8.943 1.893 2.060
298 HD11 LEU 38 HD11 LEU 38 9.568 4.188 1.785
299 HD12 LEU 38 HD12 LEU 38 10.931 3.299 2.462
300 HD13 LEU 38 HD13 LEU 38 9.951 4.333 3.501
301 HD21 LEU 38 HD21 LEU 38 10.622 1.324 3.752
302 HD22 LEU 38 HD22 LEU 38 9.018 0.720 4.161
303 HD23 LEU 38 HD23 LEU 38 9.652 2.152 4.969
304 H LEU 39 HN LEU 39 5.540 4.695 5.188
305 HA LEU 39 HA LEU 39 3.274 4.348 3.521
306 HB2 LEU 39 HB2 LEU 39 1.929 5.033 5.473
307 HB3 LEU 39 HB1 LEU 39 3.073 3.759 5.828
308 HG LEU 39 HG LEU 39 4.573 5.621 6.777
309 HD11 LEU 39 HD11 LEU 39 3.397 7.540 5.879
310 HD12 LEU 39 HD12 LEU 39 3.372 7.575 7.643
311 HD13 LEU 39 HD13 LEU 39 1.936 7.076 6.751
312 HD21 LEU 39 HD21 LEU 39 1.983 4.897 8.134
313 HD22 LEU 39 HD22 LEU 39 3.423 5.521 8.937
314 HD23 LEU 39 HD23 LEU 39 3.469 3.947 8.144
315 H ALA 40 HN ALA 40 5.233 7.047 4.182
316 HA ALA 40 HA ALA 40 3.376 9.113 3.642
317 HB1 ALA 40 HB1 ALA 40 6.360 9.088 3.190
318 HB2 ALA 40 HB2 ALA 40 5.554 9.526 4.695
319 HB3 ALA 40 HB3 ALA 40 5.329 10.517 3.255
320 H LEU 41 HN LEU 41 5.064 6.853 1.663
321 HA LEU 41 HA LEU 41 4.749 8.193 -0.824
322 HB2 LEU 41 HB2 LEU 41 5.198 5.313 -0.066
323 HB3 LEU 41 HB1 LEU 41 5.012 5.820 -1.735
324 HG LEU 41 HG LEU 41 7.026 7.353 -0.246
325 HD11 LEU 41 HD11 LEU 41 7.594 4.481 -0.925
326 HD12 LEU 41 HD12 LEU 41 7.263 5.046 0.707
327 HD13 LEU 41 HD13 LEU 41 8.679 5.639 -0.163
328 HD21 LEU 41 HD21 LEU 41 8.260 7.026 -2.308
329 HD22 LEU 41 HD22 LEU 41 6.611 7.538 -2.665
330 HD23 LEU 41 HD23 LEU 41 7.070 5.845 -2.858
331 H LEU 42 HN LEU 42 2.661 6.409 1.235
332 HA LEU 42 HA LEU 42 0.631 6.230 -0.890
333 HB2 LEU 42 HB2 LEU 42 0.694 4.769 1.750
334 HB3 LEU 42 HB1 LEU 42 -0.505 4.574 0.491
335 HG LEU 42 HG LEU 42 0.739 2.736 0.068
336 HD11 LEU 42 HD11 LEU 42 0.874 4.044 -1.951
337 HD12 LEU 42 HD12 LEU 42 2.346 3.095 -1.732
338 HD13 LEU 42 HD13 LEU 42 2.349 4.822 -1.372
339 HD21 LEU 42 HD21 LEU 42 3.093 2.472 0.523
340 HD22 LEU 42 HD22 LEU 42 2.251 3.082 1.946
341 HD23 LEU 42 HD23 LEU 42 3.226 4.175 0.960
342 H HIS 43 HN HIS 43 1.485 8.458 1.045
343 HA HIS 43 HA HIS 43 -0.358 8.753 3.101
344 HB2 HIS 43 HB2 HIS 43 0.450 10.936 3.386
345 HB3 HIS 43 HB1 HIS 43 1.796 10.067 2.673
346 HD1 HIS 43 HD1 HIS 43 0.047 13.147 2.395
347 HD2 HIS 43 HD2 HIS 43 1.830 10.551 -0.320
348 HE1 HIS 43 HE1 HIS 43 0.444 14.505 0.317
349 HE2 HIS 43 HE2 HIS 43 1.662 12.958 -1.251
350 H ASP 44 HN ASP 44 -0.827 9.317 -0.287
351 HA ASP 44 HA ASP 44 -3.283 10.848 0.238
352 HB2 ASP 44 HB2 ASP 44 -3.187 11.527 -2.086
353 HB3 ASP 44 HB1 ASP 44 -1.611 11.802 -1.353
354 H LEU 45 HN LEU 45 -2.668 7.764 0.237
355 HA LEU 45 HA LEU 45 -4.376 6.965 -1.975
356 HB2 LEU 45 HB2 LEU 45 -2.010 6.048 -1.428
357 HB3 LEU 45 HB1 LEU 45 -2.859 5.049 -0.264
358 HG LEU 45 HG LEU 45 -4.131 3.983 -2.002
359 HD11 LEU 45 HD11 LEU 45 -4.554 5.808 -3.480
360 HD12 LEU 45 HD12 LEU 45 -3.674 4.584 -4.393
361 HD13 LEU 45 HD13 LEU 45 -2.834 6.019 -3.803
362 HD21 LEU 45 HD21 LEU 45 -1.241 4.219 -2.826
363 HD22 LEU 45 HD22 LEU 45 -2.343 2.909 -3.250
364 HD23 LEU 45 HD23 LEU 45 -1.860 3.149 -1.570
365 HA PRO 46 HA PRO 46 -6.448 4.379 1.395
366 HB2 PRO 46 HB2 PRO 46 -5.966 4.702 4.007
367 HB3 PRO 46 HB1 PRO 46 -4.906 3.744 2.974
368 HG2 PRO 46 HG2 PRO 46 -4.542 6.530 3.978
369 HG3 PRO 46 HG1 PRO 46 -3.352 5.225 3.816
370 HD2 PRO 46 HD2 PRO 46 -3.662 7.284 2.008
371 HD3 PRO 46 HD1 PRO 46 -2.951 5.709 1.622
372 H GLY 47 HN GLY 47 -8.166 4.631 3.153
373 HA2 GLY 47 HA2 GLY 47 -9.870 5.970 4.092
374 HA3 GLY 47 HA1 GLY 47 -9.210 7.368 3.247
375 H GLN 48 HN GLN 48 -9.112 4.967 1.107
376 HA GLN 48 HA GLN 48 -11.861 5.287 0.123
377 HB2 GLN 48 HB2 GLN 48 -9.292 5.513 -1.452
378 HB3 GLN 48 HB1 GLN 48 -10.863 5.276 -2.200
379 HG2 GLN 48 HG2 GLN 48 -11.633 7.388 -1.316
380 HG3 GLN 48 HG1 GLN 48 -10.100 7.616 -0.481
381 HE21 GLN 48 HE21 GLN 48 -11.688 7.494 -3.579
382 HE22 GLN 48 HE22 GLN 48 -10.449 8.319 -4.462
383 H GLU 49 HN GLU 49 -12.209 3.631 -1.713
384 HA GLU 49 HA GLU 49 -11.135 1.073 -0.804
385 HB2 GLU 49 HB2 GLU 49 -13.419 1.710 -2.678
386 HB3 GLU 49 HB1 GLU 49 -12.890 0.080 -2.287
387 HG2 GLU 49 HG2 GLU 49 -13.326 0.681 0.134
388 HG3 GLU 49 HG1 GLU 49 -14.155 2.109 -0.483
389 H LEU 50 HN LEU 50 -9.160 0.942 -1.619
390 HA LEU 50 HA LEU 50 -8.608 1.469 -4.420
391 HB2 LEU 50 HB2 LEU 50 -6.900 0.491 -2.131
392 HB3 LEU 50 HB1 LEU 50 -6.300 0.673 -3.765
393 HG LEU 50 HG LEU 50 -5.571 2.576 -2.586
394 HD11 LEU 50 HD11 LEU 50 -6.626 4.423 -3.719
395 HD12 LEU 50 HD12 LEU 50 -8.038 3.433 -4.078
396 HD13 LEU 50 HD13 LEU 50 -6.482 3.046 -4.814
397 HD21 LEU 50 HD21 LEU 50 -7.030 4.038 -1.289
398 HD22 LEU 50 HD22 LEU 50 -7.034 2.397 -0.645
399 HD23 LEU 50 HD23 LEU 50 -8.396 2.969 -1.609
400 H ASN 51 HN ASN 51 -8.388 -0.072 -5.974
401 HA ASN 51 HA ASN 51 -9.294 -2.747 -5.358
402 HB2 ASN 51 HB2 ASN 51 -9.796 -1.376 -7.487
403 HB3 ASN 51 HB1 ASN 51 -8.186 -1.840 -7.987
404 HD21 ASN 51 HD21 ASN 51 -10.671 -2.453 -9.238
405 HD22 ASN 51 HD22 ASN 51 -10.814 -4.172 -9.271
406 H LEU 52 HN LEU 52 -8.012 -4.684 -5.972
407 HA LEU 52 HA LEU 52 -5.626 -4.779 -4.593
408 HB2 LEU 52 HB2 LEU 52 -6.827 -6.547 -6.678
409 HB3 LEU 52 HB1 LEU 52 -5.207 -6.877 -6.100
410 HG LEU 52 HG LEU 52 -6.897 -8.235 -4.946
411 HD11 LEU 52 HD11 LEU 52 -5.589 -6.186 -3.166
412 HD12 LEU 52 HD12 LEU 52 -4.835 -7.653 -3.787
413 HD13 LEU 52 HD13 LEU 52 -6.189 -7.765 -2.661
414 HD21 LEU 52 HD21 LEU 52 -7.958 -5.590 -3.964
415 HD22 LEU 52 HD22 LEU 52 -8.455 -7.175 -3.375
416 HD23 LEU 52 HD23 LEU 52 -8.784 -6.712 -5.045
417 H SER 53 HN SER 53 -6.055 -4.392 -8.095
418 HA SER 53 HA SER 53 -3.429 -4.332 -8.933
419 HB2 SER 53 HB2 SER 53 -5.580 -2.436 -9.898
420 HB3 SER 53 HB1 SER 53 -4.198 -3.040 -10.814
421 HG SER 53 HG SER 53 -5.119 -5.131 -10.680
422 H GLN 54 HN GLN 54 -5.357 -1.710 -7.551
423 HA GLN 54 HA GLN 54 -3.350 0.284 -7.733
424 HB2 GLN 54 HB2 GLN 54 -5.909 0.049 -6.164
425 HB3 GLN 54 HB1 GLN 54 -4.868 1.456 -6.020
426 HG2 GLN 54 HG2 GLN 54 -5.097 1.889 -8.401
427 HG3 GLN 54 HG1 GLN 54 -6.100 0.451 -8.577
428 HE21 GLN 54 HE21 GLN 54 -6.653 3.277 -9.117
429 HE22 GLN 54 HE22 GLN 54 -8.064 3.666 -8.200
430 H LEU 55 HN LEU 55 -4.371 -1.897 -5.108
431 HA LEU 55 HA LEU 55 -2.650 -1.041 -3.136
432 HB2 LEU 55 HB2 LEU 55 -3.827 -3.698 -3.807
433 HB3 LEU 55 HB1 LEU 55 -2.646 -3.586 -2.527
434 HG LEU 55 HG LEU 55 -4.088 -1.842 -1.467
435 HD11 LEU 55 HD11 LEU 55 -6.084 -2.779 -3.483
436 HD12 LEU 55 HD12 LEU 55 -5.328 -1.186 -3.408
437 HD13 LEU 55 HD13 LEU 55 -6.405 -1.714 -2.113
438 HD21 LEU 55 HD21 LEU 55 -5.285 -4.578 -1.837
439 HD22 LEU 55 HD22 LEU 55 -5.684 -3.450 -0.541
440 HD23 LEU 55 HD23 LEU 55 -4.061 -4.130 -0.651
441 H HIS 56 HN HIS 56 -2.015 -3.409 -5.728
442 HA HIS 56 HA HIS 56 0.661 -3.928 -4.940
443 HB2 HIS 56 HB2 HIS 56 -0.732 -4.280 -7.597
444 HB3 HIS 56 HB1 HIS 56 0.941 -4.739 -7.326
445 HD1 HIS 56 HD1 HIS 56 1.388 -6.898 -6.028
446 HD2 HIS 56 HD2 HIS 56 -2.644 -5.949 -6.352
447 HE1 HIS 56 HE1 HIS 56 0.149 -8.965 -5.327
448 HE2 HIS 56 HE2 HIS 56 -2.272 -8.440 -5.780
449 H ALA 57 HN ALA 57 -0.810 -1.529 -7.040
450 HA ALA 57 HA ALA 57 1.575 -0.480 -8.136
451 HB1 ALA 57 HB1 ALA 57 -1.074 0.891 -7.692
452 HB2 ALA 57 HB2 ALA 57 -0.621 -0.051 -9.112
453 HB3 ALA 57 HB3 ALA 57 0.220 1.456 -8.750
454 H ALA 58 HN ALA 58 -0.078 0.024 -5.111
455 HA ALA 58 HA ALA 58 1.249 2.362 -4.257
456 HB1 ALA 58 HB1 ALA 58 0.602 1.669 -2.000
457 HB2 ALA 58 HB2 ALA 58 0.183 0.067 -2.607
458 HB3 ALA 58 HB3 ALA 58 -0.736 1.476 -3.134
459 H ALA 59 HN ALA 59 2.052 -1.060 -4.070
460 HA ALA 59 HA ALA 59 4.402 -0.803 -2.523
461 HB1 ALA 59 HB1 ALA 59 4.927 -3.057 -3.315
462 HB2 ALA 59 HB2 ALA 59 3.653 -2.929 -4.528
463 HB3 ALA 59 HB3 ALA 59 3.240 -2.932 -2.814
464 H ALA 60 HN ALA 60 3.707 -0.442 -5.922
465 HA ALA 60 HA ALA 60 6.363 -0.534 -6.883
466 HB1 ALA 60 HB1 ALA 60 3.975 0.885 -8.060
467 HB2 ALA 60 HB2 ALA 60 4.430 -0.793 -8.357
468 HB3 ALA 60 HB3 ALA 60 5.479 0.515 -8.903
469 H ARG 61 HN ARG 61 4.338 2.078 -5.653
470 HA ARG 61 HA ARG 61 5.953 4.279 -6.202
471 HB2 ARG 61 HB2 ARG 61 4.278 3.723 -3.743
472 HB3 ARG 61 HB1 ARG 61 4.982 5.284 -4.123
473 HG2 ARG 61 HG2 ARG 61 3.607 5.465 -6.103
474 HG3 ARG 61 HG1 ARG 61 2.961 3.845 -5.826
475 HD2 ARG 61 HD2 ARG 61 1.950 4.549 -3.756
476 HD3 ARG 61 HD1 ARG 61 2.700 6.132 -3.880
477 HE ARG 61 HE ARG 61 0.882 5.372 -6.025
478 HH11 ARG 61 HH11 ARG 61 1.397 7.160 -3.050
479 HH12 ARG 61 HH12 ARG 61 -0.013 8.165 -3.253
480 HH21 ARG 61 HH21 ARG 61 -0.994 6.680 -6.273
481 HH22 ARG 61 HH22 ARG 61 -1.371 7.874 -5.075
482 H ILE 62 HN ILE 62 6.113 1.914 -3.622
483 HA ILE 62 HA ILE 62 8.192 3.266 -2.180
484 HB ILE 62 HB ILE 62 7.062 0.490 -1.866
485 HG12 ILE 62 HG12 ILE 62 6.474 3.053 -0.379
486 HG13 ILE 62 HG11 ILE 62 5.410 2.277 -1.545
487 HG21 ILE 62 HG21 ILE 62 8.040 0.563 0.400
488 HG22 ILE 62 HG22 ILE 62 8.839 2.082 -0.023
489 HG23 ILE 62 HG23 ILE 62 9.262 0.595 -0.875
490 HD11 ILE 62 HD11 ILE 62 5.061 0.430 -0.097
491 HD12 ILE 62 HD12 ILE 62 4.827 1.910 0.838
492 HD13 ILE 62 HD13 ILE 62 6.321 0.991 1.002
493 H GLY 63 HN GLY 63 7.981 0.563 -4.419
494 HA2 GLY 63 HA2 GLY 63 10.600 -0.394 -4.194
495 HA3 GLY 63 HA1 GLY 63 9.616 -0.486 -5.646
496 H ASP 64 HN ASP 64 9.289 2.081 -6.387
497 HA ASP 64 HA ASP 64 11.788 2.755 -7.539
498 HB2 ASP 64 HB2 ASP 64 9.142 4.196 -7.394
499 HB3 ASP 64 HB1 ASP 64 10.546 4.920 -8.169
500 H PHE 65 HN PHE 65 10.152 3.775 -4.634
501 HA PHE 65 HA PHE 65 11.573 6.111 -4.047
502 HB2 PHE 65 HB2 PHE 65 9.604 5.399 -2.765
503 HB3 PHE 65 HB1 PHE 65 10.492 4.011 -2.147
504 HD1 PHE 65 HD1 PHE 65 10.304 7.701 -2.090
505 HD2 PHE 65 HD2 PHE 65 11.894 4.199 -0.267
506 HE1 PHE 65 HE1 PHE 65 11.061 9.045 -0.176
507 HE2 PHE 65 HE2 PHE 65 12.655 5.539 1.650
508 HZ PHE 65 HZ PHE 65 12.239 7.964 1.696
509 H TYR 66 HN TYR 66 12.236 2.753 -3.121
510 HA TYR 66 HA TYR 66 14.695 3.217 -1.847
511 HB2 TYR 66 HB2 TYR 66 13.302 0.856 -2.999
512 HB3 TYR 66 HB1 TYR 66 15.028 0.707 -2.701
513 HD1 TYR 66 HD2 TYR 66 11.907 1.804 -1.009
514 HD2 TYR 66 HD1 TYR 66 15.738 0.008 -0.601
515 HE1 TYR 66 HE2 TYR 66 11.424 1.346 1.344
516 HE2 TYR 66 HE1 TYR 66 15.270 -0.465 1.763
517 HH TYR 66 HH TYR 66 13.799 0.404 3.566
518 H GLN 67 HN GLN 67 13.916 2.403 -5.203
519 HA GLN 67 HA GLN 67 16.546 2.092 -6.122
520 HB2 GLN 67 HB2 GLN 67 14.171 3.079 -7.708
521 HB3 GLN 67 HB1 GLN 67 15.637 2.358 -8.359
522 HG2 GLN 67 HG2 GLN 67 15.078 0.267 -7.151
523 HG3 GLN 67 HG1 GLN 67 13.558 1.005 -6.661
524 HE21 GLN 67 HE21 GLN 67 15.364 -0.379 -9.260
525 HE22 GLN 67 HE22 GLN 67 14.060 -0.463 -10.393
526 H GLU 68 HN GLU 68 14.521 4.948 -5.784
527 HA GLU 68 HA GLU 68 16.213 6.788 -7.089
528 HB2 GLU 68 HB2 GLU 68 13.898 7.320 -6.504
529 HB3 GLU 68 HB1 GLU 68 14.296 7.220 -4.793
530 HG2 GLU 68 HG2 GLU 68 15.924 9.085 -5.159
531 HG3 GLU 68 HG1 GLU 68 15.259 9.254 -6.782
532 H LYS 69 HN LYS 69 16.174 5.481 -3.838
533 HA LYS 69 HA LYS 69 18.091 7.373 -2.837
534 HB2 LYS 69 HB2 LYS 69 17.173 4.786 -1.584
535 HB3 LYS 69 HB1 LYS 69 18.003 6.104 -0.772
536 HG2 LYS 69 HG2 LYS 69 15.210 6.106 -1.887
537 HG3 LYS 69 HG1 LYS 69 15.700 6.220 -0.197
538 HD2 LYS 69 HD2 LYS 69 16.698 8.388 -0.596
539 HD3 LYS 69 HD1 LYS 69 16.329 8.270 -2.320
540 HE2 LYS 69 HE2 LYS 69 13.912 8.087 -1.684
541 HE3 LYS 69 HE1 LYS 69 14.383 8.473 -0.031
542 HZ1 LYS 69 HZ1 LYS 69 14.631 10.186 -2.438
543 HZ2 LYS 69 HZ2 LYS 69 15.399 10.544 -0.969
544 HZ3 LYS 69 HZ3 LYS 69 13.713 10.475 -1.045
545 H GLY 70 HN GLY 70 18.358 4.787 -4.855
546 HA2 GLY 70 HA2 GLY 70 20.579 4.330 -5.730
547 HA3 GLY 70 HA1 GLY 70 21.176 4.384 -4.078
548 H TYR 71 HN TYR 71 18.386 2.863 -3.704
549 HA TYR 71 HA TYR 71 19.648 0.233 -3.796
550 HB2 TYR 71 HB2 TYR 71 16.953 0.983 -2.645
551 HB3 TYR 71 HB1 TYR 71 17.859 -0.495 -2.338
552 HD1 TYR 71 HD1 TYR 71 20.101 -0.268 -1.166
553 HD2 TYR 71 HD2 TYR 71 17.214 2.847 -1.265
554 HE1 TYR 71 HE1 TYR 71 21.146 0.746 0.803
555 HE2 TYR 71 HE2 TYR 71 18.255 3.880 0.705
556 HH TYR 71 HH TYR 71 19.651 3.215 2.604
557 H VAL 72 HN VAL 72 19.500 0.527 -6.213
558 HA VAL 72 HA VAL 72 17.001 0.577 -7.537
559 HB VAL 72 HB VAL 72 19.649 -0.416 -8.604
560 HG11 VAL 72 HG11 VAL 72 17.776 -1.052 -10.018
561 HG12 VAL 72 HG12 VAL 72 18.736 0.205 -10.798
562 HG13 VAL 72 HG13 VAL 72 17.200 0.614 -10.034
563 HG21 VAL 72 HG21 VAL 72 18.468 2.359 -8.603
564 HG22 VAL 72 HG22 VAL 72 19.927 1.875 -9.465
565 HG23 VAL 72 HG23 VAL 72 19.886 1.823 -7.702
566 H LEU 73 HN LEU 73 18.968 -1.966 -6.236
567 HA LEU 73 HA LEU 73 17.664 -4.131 -7.573
568 HB2 LEU 73 HB2 LEU 73 19.929 -4.320 -6.638
569 HB3 LEU 73 HB1 LEU 73 19.282 -4.090 -5.025
570 HG LEU 73 HG LEU 73 17.986 -6.202 -5.297
571 HD11 LEU 73 HD11 LEU 73 17.863 -6.268 -7.719
572 HD12 LEU 73 HD12 LEU 73 18.629 -7.732 -7.101
573 HD13 LEU 73 HD13 LEU 73 19.613 -6.458 -7.821
574 HD21 LEU 73 HD21 LEU 73 20.969 -6.421 -5.644
575 HD22 LEU 73 HD22 LEU 73 19.908 -7.675 -5.003
576 HD23 LEU 73 HD23 LEU 73 20.117 -6.161 -4.123
577 H ALA 74 HN ALA 74 16.972 -2.173 -4.840
578 HA ALA 74 HA ALA 74 15.311 -4.095 -3.487
579 HB1 ALA 74 HB1 ALA 74 15.758 -1.154 -3.020
580 HB2 ALA 74 HB2 ALA 74 16.525 -2.493 -2.165
581 HB3 ALA 74 HB3 ALA 74 14.795 -2.201 -1.981
582 H ARG 75 HN ARG 75 13.211 -4.389 -3.701
583 HA ARG 75 HA ARG 75 11.551 -2.285 -4.865
584 HB2 ARG 75 HB2 ARG 75 11.711 -5.126 -5.870
585 HB3 ARG 75 HB1 ARG 75 10.307 -4.108 -6.153
586 HG2 ARG 75 HG2 ARG 75 13.101 -3.407 -7.004
587 HG3 ARG 75 HG1 ARG 75 11.913 -4.195 -8.040
588 HD2 ARG 75 HD2 ARG 75 11.586 -1.495 -6.736
589 HD3 ARG 75 HD1 ARG 75 12.035 -1.765 -8.418
590 HE ARG 75 HE ARG 75 9.608 -3.099 -7.828
591 HH11 ARG 75 HH11 ARG 75 10.934 0.080 -8.455
592 HH12 ARG 75 HH12 ARG 75 9.419 0.754 -8.983
593 HH21 ARG 75 HH21 ARG 75 7.624 -2.234 -8.572
594 HH22 ARG 75 HH22 ARG 75 7.553 -0.579 -9.093
595 H ALA 76 HN ALA 76 9.323 -2.514 -4.353
596 HA ALA 76 HA ALA 76 8.869 -4.197 -1.983
597 HB1 ALA 76 HB1 ALA 76 7.576 -1.560 -2.679
598 HB2 ALA 76 HB2 ALA 76 8.822 -1.813 -1.455
599 HB3 ALA 76 HB3 ALA 76 7.225 -2.537 -1.253
600 H PHE 77 HN PHE 77 7.174 -5.564 -1.999
601 HA PHE 77 HA PHE 77 5.267 -5.359 -4.225
602 HB2 PHE 77 HB2 PHE 77 5.324 -7.764 -4.559
603 HB3 PHE 77 HB1 PHE 77 6.954 -7.124 -4.725
604 HD1 PHE 77 HD1 PHE 77 8.621 -7.505 -2.958
605 HD2 PHE 77 HD2 PHE 77 4.766 -9.305 -2.829
606 HE1 PHE 77 HE1 PHE 77 9.436 -9.116 -1.289
607 HE2 PHE 77 HE2 PHE 77 5.574 -10.920 -1.158
608 HZ PHE 77 HZ PHE 77 7.887 -10.827 -0.375
609 H LEU 78 HN LEU 78 3.181 -6.194 -3.766
610 HA LEU 78 HA LEU 78 2.669 -6.277 -0.881
611 HB2 LEU 78 HB2 LEU 78 1.669 -4.425 -2.277
612 HB3 LEU 78 HB1 LEU 78 0.690 -5.647 -3.063
613 HG LEU 78 HG LEU 78 0.595 -5.305 -0.081
614 HD11 LEU 78 HD11 LEU 78 0.140 -3.112 -0.858
615 HD12 LEU 78 HD12 LEU 78 -1.421 -3.862 -0.521
616 HD13 LEU 78 HD13 LEU 78 -0.848 -3.717 -2.182
617 HD21 LEU 78 HD21 LEU 78 -0.422 -7.299 -1.052
618 HD22 LEU 78 HD22 LEU 78 -1.391 -6.286 -2.125
619 HD23 LEU 78 HD23 LEU 78 -1.645 -6.220 -0.380
620 HA PRO 79 HA PRO 79 1.844 -10.650 -1.681
621 HB2 PRO 79 HB2 PRO 79 1.231 -11.136 0.966
622 HB3 PRO 79 HB1 PRO 79 2.857 -11.208 0.281
623 HG2 PRO 79 HG2 PRO 79 1.536 -8.988 1.789
624 HG3 PRO 79 HG1 PRO 79 3.197 -9.594 1.908
625 HD2 PRO 79 HD2 PRO 79 2.626 -7.352 0.584
626 HD3 PRO 79 HD1 PRO 79 3.871 -8.472 -0.005
627 H ALA 80 HN ALA 80 -0.038 -10.744 -2.767
628 HA ALA 80 HA ALA 80 -2.484 -9.653 -1.753
629 HB1 ALA 80 HB1 ALA 80 -3.493 -10.575 -3.765
630 HB2 ALA 80 HB2 ALA 80 -2.020 -11.481 -4.104
631 HB3 ALA 80 HB3 ALA 80 -2.001 -9.719 -4.151
632 H GLN 81 HN GLN 81 -4.456 -10.942 -1.487
633 HA GLN 81 HA GLN 81 -5.676 -12.526 -0.433
634 HB2 GLN 81 HB2 GLN 81 -3.465 -14.354 -1.377
635 HB3 GLN 81 HB1 GLN 81 -4.961 -14.909 -0.637
636 HG2 GLN 81 HG2 GLN 81 -6.237 -13.892 -2.457
637 HG3 GLN 81 HG1 GLN 81 -4.735 -13.348 -3.200
638 HE21 GLN 81 HE21 GLN 81 -6.805 -15.118 -4.232
639 HE22 GLN 81 HE22 GLN 81 -6.017 -16.609 -4.616
640 H GLU 82 HN GLU 82 -3.147 -11.213 0.805
641 HA GLU 82 HA GLU 82 -3.365 -12.671 3.344
642 HB2 GLU 82 HB2 GLU 82 -1.197 -13.170 2.122
643 HB3 GLU 82 HB1 GLU 82 -0.792 -11.468 2.296
644 HG2 GLU 82 HG2 GLU 82 -0.756 -11.659 4.683
645 HG3 GLU 82 HG1 GLU 82 -1.350 -13.315 4.601
646 H ILE 83 HN ILE 83 -4.799 -10.462 2.381
647 HA ILE 83 HA ILE 83 -3.646 -8.141 3.764
648 HB ILE 83 HB ILE 83 -5.815 -8.193 1.676
649 HG12 ILE 83 HG12 ILE 83 -2.892 -7.466 1.400
650 HG13 ILE 83 HG11 ILE 83 -3.639 -8.935 0.778
651 HG21 ILE 83 HG21 ILE 83 -4.237 -5.893 2.811
652 HG22 ILE 83 HG22 ILE 83 -5.915 -6.275 3.196
653 HG23 ILE 83 HG23 ILE 83 -5.473 -5.788 1.558
654 HD11 ILE 83 HD11 ILE 83 -3.326 -7.298 -0.977
655 HD12 ILE 83 HD12 ILE 83 -4.283 -6.126 -0.070
656 HD13 ILE 83 HD13 ILE 83 -5.041 -7.590 -0.695
657 H GLN 84 HN GLN 84 -4.953 -6.923 5.156
658 HA GLN 84 HA GLN 84 -7.294 -8.356 6.195
659 HB2 GLN 84 HB2 GLN 84 -5.715 -6.119 7.490
660 HB3 GLN 84 HB1 GLN 84 -6.962 -7.102 8.250
661 HG2 GLN 84 HG2 GLN 84 -5.094 -8.141 9.039
662 HG3 GLN 84 HG1 GLN 84 -5.373 -9.073 7.570
663 HE21 GLN 84 HE21 GLN 84 -3.315 -9.664 7.129
664 HE22 GLN 84 HE22 GLN 84 -2.046 -8.554 6.761
665 H ASP 85 HN ASP 85 -9.112 -6.913 6.946
666 HA ASP 85 HA ASP 85 -9.879 -5.357 4.662
667 HB2 ASP 85 HB2 ASP 85 -12.077 -5.216 5.693
668 HB3 ASP 85 HB1 ASP 85 -11.476 -6.866 5.780
669 H GLY 86 HN GLY 86 -7.974 -3.903 5.206
670 HA2 GLY 86 HA2 GLY 86 -8.566 -1.352 5.469
671 HA3 GLY 86 HA1 GLY 86 -8.622 -1.830 7.160
672 H THR 87 HN THR 87 -6.525 -3.756 6.995
673 HA THR 87 HA THR 87 -4.246 -1.929 6.803
674 HB THR 87 HB THR 87 -4.376 -4.623 8.172
675 HG1 THR 87 HG1 THR 87 -5.281 -2.140 8.924
676 HG21 THR 87 HG21 THR 87 -2.395 -2.353 8.395
677 HG22 THR 87 HG22 THR 87 -2.114 -3.888 7.573
678 HG23 THR 87 HG23 THR 87 -2.353 -3.854 9.321
679 H VAL 88 HN VAL 88 -2.954 -2.117 5.095
680 HA VAL 88 HA VAL 88 -2.858 -4.701 3.698
681 HB VAL 88 HB VAL 88 -2.027 -3.494 1.738
682 HG11 VAL 88 HG11 VAL 88 -4.075 -2.239 1.193
683 HG12 VAL 88 HG12 VAL 88 -4.554 -2.315 2.889
684 HG13 VAL 88 HG13 VAL 88 -4.421 -3.796 1.942
685 HG21 VAL 88 HG21 VAL 88 -0.876 -1.684 2.938
686 HG22 VAL 88 HG22 VAL 88 -2.444 -0.987 3.359
687 HG23 VAL 88 HG23 VAL 88 -1.942 -1.075 1.669
688 H ARG 89 HN ARG 89 -1.016 -5.855 3.766
689 HA ARG 89 HA ARG 89 1.309 -4.540 4.973
690 HB2 ARG 89 HB2 ARG 89 0.123 -6.827 5.766
691 HB3 ARG 89 HB1 ARG 89 1.298 -7.478 4.626
692 HG2 ARG 89 HG2 ARG 89 3.114 -6.555 5.831
693 HG3 ARG 89 HG1 ARG 89 2.030 -5.630 6.875
694 HD2 ARG 89 HD2 ARG 89 1.137 -7.690 7.803
695 HD3 ARG 89 HD1 ARG 89 2.157 -8.633 6.720
696 HE ARG 89 HE ARG 89 4.020 -7.268 7.971
697 HH11 ARG 89 HH11 ARG 89 1.163 -8.782 9.339
698 HH12 ARG 89 HH12 ARG 89 1.900 -9.048 10.887
699 HH21 ARG 89 HH21 ARG 89 4.974 -7.619 10.015
700 HH22 ARG 89 HH22 ARG 89 4.058 -8.399 11.268
701 H ILE 90 HN ILE 90 2.783 -3.869 3.611
702 HA ILE 90 HA ILE 90 3.160 -5.300 1.070
703 HB ILE 90 HB ILE 90 4.133 -2.548 1.866
704 HG12 ILE 90 HG12 ILE 90 1.830 -3.386 0.097
705 HG13 ILE 90 HG11 ILE 90 1.702 -2.598 1.665
706 HG21 ILE 90 HG21 ILE 90 4.182 -3.952 -0.803
707 HG22 ILE 90 HG22 ILE 90 5.578 -3.604 0.219
708 HG23 ILE 90 HG23 ILE 90 4.668 -2.281 -0.512
709 HD11 ILE 90 HD11 ILE 90 1.318 -1.032 -0.153
710 HD12 ILE 90 HD12 ILE 90 2.911 -1.397 -0.817
711 HD13 ILE 90 HD13 ILE 90 2.769 -0.605 0.753
712 H GLU 91 HN GLU 91 5.025 -6.359 0.673
713 HA GLU 91 HA GLU 91 6.991 -6.372 2.836
714 HB2 GLU 91 HB2 GLU 91 6.562 -8.302 0.554
715 HB3 GLU 91 HB1 GLU 91 7.836 -8.446 1.758
716 HG2 GLU 91 HG2 GLU 91 6.044 -8.501 3.506
717 HG3 GLU 91 HG1 GLU 91 4.871 -8.618 2.197
718 H VAL 92 HN VAL 92 8.889 -5.487 2.639
719 HA VAL 92 HA VAL 92 9.621 -4.337 0.047
720 HB VAL 92 HB VAL 92 10.719 -3.730 2.799
721 HG11 VAL 92 HG11 VAL 92 11.748 -1.775 1.712
722 HG12 VAL 92 HG12 VAL 92 11.187 -2.365 0.148
723 HG13 VAL 92 HG13 VAL 92 12.367 -3.299 1.072
724 HG21 VAL 92 HG21 VAL 92 8.735 -2.234 1.087
725 HG22 VAL 92 HG22 VAL 92 9.478 -1.594 2.549
726 HG23 VAL 92 HG23 VAL 92 8.421 -3.003 2.643
727 H LEU 93 HN LEU 93 10.911 -5.574 -1.128
728 HA LEU 93 HA LEU 93 12.850 -7.316 0.194
729 HB2 LEU 93 HB2 LEU 93 11.354 -8.167 -1.643
730 HB3 LEU 93 HB1 LEU 93 12.192 -7.094 -2.747
731 HG LEU 93 HG LEU 93 14.304 -8.306 -2.284
732 HD11 LEU 93 HD11 LEU 93 13.792 -9.126 -0.054
733 HD12 LEU 93 HD12 LEU 93 14.207 -10.460 -1.129
734 HD13 LEU 93 HD13 LEU 93 12.522 -10.157 -0.710
735 HD21 LEU 93 HD21 LEU 93 13.718 -10.329 -3.528
736 HD22 LEU 93 HD22 LEU 93 12.935 -8.901 -4.208
737 HD23 LEU 93 HD23 LEU 93 12.009 -10.028 -3.215
738 H GLU 94 HN GLU 94 14.357 -5.848 0.892
739 HA GLU 94 HA GLU 94 15.264 -3.637 -0.616
740 HB2 GLU 94 HB2 GLU 94 16.612 -4.992 1.713
741 HB3 GLU 94 HB1 GLU 94 16.940 -3.371 1.128
742 HG2 GLU 94 HG2 GLU 94 14.639 -2.725 1.737
743 HG3 GLU 94 HG1 GLU 94 14.387 -4.346 2.387
744 H GLY 95 HN GLY 95 16.092 -6.940 -0.746
745 HA2 GLY 95 HA2 GLY 95 17.358 -7.526 -2.796
746 HA3 GLY 95 HA1 GLY 95 18.499 -6.276 -2.320
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 -10.723 11.780 11.249
2 H2 MET 1 HT2 MET 1 -11.993 10.918 10.533
3 H3 MET 1 HT3 MET 1 -10.421 10.300 10.490
4 HA MET 1 HA MET 1 -11.749 9.142 12.115
5 HB2 MET 1 HB2 MET 1 -9.615 10.921 13.308
6 HB3 MET 1 HB1 MET 1 -10.270 9.488 14.083
7 HG2 MET 1 HG2 MET 1 -8.752 9.560 11.486
8 HG3 MET 1 HG1 MET 1 -8.126 9.031 13.046
9 HE1 MET 1 HE1 MET 1 -7.807 7.245 10.530
10 HE2 MET 1 HE2 MET 1 -8.321 5.662 11.111
11 HE3 MET 1 HE3 MET 1 -7.325 6.696 12.135
12 H ALA 2 HN ALA 2 -11.064 12.361 13.510
13 HA ALA 2 HA ALA 2 -13.377 12.159 15.206
14 HB1 ALA 2 HB1 ALA 2 -12.679 14.314 16.085
15 HB2 ALA 2 HB2 ALA 2 -11.503 14.482 14.785
16 HB3 ALA 2 HB3 ALA 2 -11.306 13.211 15.991
17 H HIS 3 HN HIS 3 -12.393 14.728 12.928
18 HA HIS 3 HA HIS 3 -15.002 15.798 12.702
19 HB2 HIS 3 HB2 HIS 3 -12.585 16.096 10.909
20 HB3 HIS 3 HB1 HIS 3 -14.074 17.006 10.703
21 HD1 HIS 3 HD1 HIS 3 -11.366 18.391 11.256
22 HD2 HIS 3 HD2 HIS 3 -14.169 17.429 14.171
23 HE1 HIS 3 HE1 HIS 3 -10.921 19.962 13.167
24 HE2 HIS 3 HE2 HIS 3 -12.525 19.257 14.978
25 H HIS 4 HN HIS 4 -13.091 14.107 10.209
26 HA HIS 4 HA HIS 4 -15.511 13.266 8.867
27 HB2 HIS 4 HB2 HIS 4 -12.591 12.713 8.326
28 HB3 HIS 4 HB1 HIS 4 -13.890 11.991 7.387
29 HD1 HIS 4 HD1 HIS 4 -11.600 14.166 6.528
30 HD2 HIS 4 HD2 HIS 4 -15.682 14.761 7.021
31 HE1 HIS 4 HE1 HIS 4 -12.161 16.186 5.142
32 HE2 HIS 4 HE2 HIS 4 -14.608 16.610 5.573
33 H HIS 5 HN HIS 5 -16.549 11.998 10.342
34 HA HIS 5 HA HIS 5 -15.152 9.566 11.218
35 HB2 HIS 5 HB2 HIS 5 -16.169 11.063 12.961
36 HB3 HIS 5 HB1 HIS 5 -17.749 10.707 12.270
37 HD1 HIS 5 HD1 HIS 5 -14.892 9.025 14.068
38 HD2 HIS 5 HD2 HIS 5 -18.883 8.357 13.122
39 HE1 HIS 5 HE1 HIS 5 -15.552 6.956 15.332
40 HE2 HIS 5 HE2 HIS 5 -17.938 6.506 14.658
41 H HIS 6 HN HIS 6 -18.172 10.749 9.818
42 HA HIS 6 HA HIS 6 -19.160 8.144 9.172
43 HB2 HIS 6 HB2 HIS 6 -19.969 10.929 8.349
44 HB3 HIS 6 HB1 HIS 6 -20.742 9.499 7.676
45 HD1 HIS 6 HD1 HIS 6 -20.519 11.549 10.793
46 HD2 HIS 6 HD2 HIS 6 -22.432 8.115 9.432
47 HE1 HIS 6 HE1 HIS 6 -22.283 11.029 12.506
48 HE2 HIS 6 HE2 HIS 6 -23.475 8.997 11.627
49 H HIS 7 HN HIS 7 -18.110 6.918 7.777
50 HA HIS 7 HA HIS 7 -16.396 7.886 5.749
51 HB2 HIS 7 HB2 HIS 7 -17.664 5.162 6.108
52 HB3 HIS 7 HB1 HIS 7 -16.411 5.526 4.927
53 HD1 HIS 7 HD1 HIS 7 -16.875 4.383 8.323
54 HD2 HIS 7 HD2 HIS 7 -13.919 6.417 6.231
55 HE1 HIS 7 HE1 HIS 7 -14.802 4.197 9.730
56 HE2 HIS 7 HE2 HIS 7 -13.075 5.575 8.525
57 H HIS 8 HN HIS 8 -16.968 8.846 3.940
58 HA HIS 8 HA HIS 8 -19.447 7.980 2.619
59 HB2 HIS 8 HB2 HIS 8 -19.771 10.353 1.865
60 HB3 HIS 8 HB1 HIS 8 -19.973 10.108 3.594
61 HD1 HIS 8 HD1 HIS 8 -18.136 11.115 5.160
62 HD2 HIS 8 HD2 HIS 8 -17.690 12.049 1.128
63 HE1 HIS 8 HE1 HIS 8 -16.484 13.011 5.079
64 HE2 HIS 8 HE2 HIS 8 -16.223 13.555 2.632
65 H VAL 9 HN VAL 9 -17.137 6.808 2.015
66 HA VAL 9 HA VAL 9 -16.356 8.016 -0.555
67 HB VAL 9 HB VAL 9 -14.809 5.999 1.081
68 HG11 VAL 9 HG11 VAL 9 -14.488 5.742 -1.332
69 HG12 VAL 9 HG12 VAL 9 -13.030 6.339 -0.545
70 HG13 VAL 9 HG13 VAL 9 -14.055 7.447 -1.454
71 HG21 VAL 9 HG21 VAL 9 -13.204 7.819 1.442
72 HG22 VAL 9 HG22 VAL 9 -14.784 8.197 2.127
73 HG23 VAL 9 HG23 VAL 9 -14.286 8.931 0.605
74 H ASP 10 HN ASP 10 -16.774 6.903 -2.369
75 HA ASP 10 HA ASP 10 -18.076 4.288 -2.037
76 HB2 ASP 10 HB2 ASP 10 -19.329 4.811 -4.086
77 HB3 ASP 10 HB1 ASP 10 -19.582 6.042 -2.854
78 H ASP 11 HN ASP 11 -17.140 2.577 -2.920
79 HA ASP 11 HA ASP 11 -15.004 2.928 -4.869
80 HB2 ASP 11 HB2 ASP 11 -14.422 0.684 -4.490
81 HB3 ASP 11 HB1 ASP 11 -14.951 1.242 -2.910
82 H ASP 12 HN ASP 12 -18.290 1.941 -4.569
83 HA ASP 12 HA ASP 12 -19.956 1.522 -6.041
84 HB2 ASP 12 HB2 ASP 12 -19.262 3.897 -6.557
85 HB3 ASP 12 HB1 ASP 12 -18.374 3.254 -7.935
86 H ASP 13 HN ASP 13 -19.371 -0.704 -6.218
87 HA ASP 13 HA ASP 13 -19.058 -2.631 -7.357
88 HB2 ASP 13 HB2 ASP 13 -20.496 -1.615 -9.085
89 HB3 ASP 13 HB1 ASP 13 -19.075 -0.894 -9.836
90 H LYS 14 HN LYS 14 -17.148 -3.369 -6.750
91 HA LYS 14 HA LYS 14 -14.682 -2.234 -7.172
92 HB2 LYS 14 HB2 LYS 14 -13.796 -4.605 -6.797
93 HB3 LYS 14 HB1 LYS 14 -14.768 -3.880 -5.526
94 HG2 LYS 14 HG2 LYS 14 -15.806 -5.876 -5.576
95 HG3 LYS 14 HG1 LYS 14 -16.688 -5.124 -6.904
96 HD2 LYS 14 HD2 LYS 14 -15.090 -6.123 -8.494
97 HD3 LYS 14 HD1 LYS 14 -14.280 -6.924 -7.148
98 HE2 LYS 14 HE2 LYS 14 -17.158 -7.323 -7.954
99 HE3 LYS 14 HE1 LYS 14 -15.834 -8.422 -8.324
100 HZ1 LYS 14 HZ1 LYS 14 -17.027 -9.215 -6.426
101 HZ2 LYS 14 HZ2 LYS 14 -16.857 -7.737 -5.624
102 HZ3 LYS 14 HZ3 LYS 14 -15.500 -8.699 -5.917
103 H MET 15 HN MET 15 -13.682 -1.751 -8.969
104 HA MET 15 HA MET 15 -13.784 -3.679 -11.194
105 HB2 MET 15 HB2 MET 15 -14.927 -1.607 -11.803
106 HB3 MET 15 HB1 MET 15 -13.518 -0.668 -11.328
107 HG2 MET 15 HG2 MET 15 -12.216 -1.668 -13.104
108 HG3 MET 15 HG1 MET 15 -13.575 -2.693 -13.552
109 HE1 MET 15 HE1 MET 15 -11.924 -0.757 -15.557
110 HE2 MET 15 HE2 MET 15 -13.256 -0.137 -16.532
111 HE3 MET 15 HE3 MET 15 -13.219 -1.838 -16.067
112 H GLY 16 HN GLY 16 -11.887 -4.507 -11.803
113 HA2 GLY 16 HA2 GLY 16 -9.546 -4.539 -12.129
114 HA3 GLY 16 HA1 GLY 16 -9.404 -3.142 -11.066
115 H GLY 17 HN GLY 17 -11.307 -5.967 -10.341
116 HA2 GLY 17 HA2 GLY 17 -10.718 -7.768 -8.905
117 HA3 GLY 17 HA1 GLY 17 -9.338 -6.831 -8.344
118 HA PRO 18 HA PRO 18 -13.196 -6.464 -5.477
119 HB2 PRO 18 HB2 PRO 18 -11.966 -7.741 -3.354
120 HB3 PRO 18 HB1 PRO 18 -13.133 -8.496 -4.442
121 HG2 PRO 18 HG2 PRO 18 -10.147 -8.626 -4.476
122 HG3 PRO 18 HG1 PRO 18 -11.330 -9.908 -4.797
123 HD2 PRO 18 HD2 PRO 18 -10.036 -8.675 -6.793
124 HD3 PRO 18 HD1 PRO 18 -11.735 -9.165 -6.959
125 H THR 19 HN THR 19 -13.233 -4.639 -4.300
126 HA THR 19 HA THR 19 -10.758 -3.198 -3.981
127 HB THR 19 HB THR 19 -12.340 -1.412 -3.037
128 HG1 THR 19 HG1 THR 19 -14.584 -1.929 -3.989
129 HG21 THR 19 HG21 THR 19 -12.714 -2.403 -5.866
130 HG22 THR 19 HG22 THR 19 -11.448 -1.313 -5.301
131 HG23 THR 19 HG23 THR 19 -13.133 -0.792 -5.285
132 H VAL 20 HN VAL 20 -9.773 -2.632 -2.138
133 HA VAL 20 HA VAL 20 -10.818 -3.787 0.356
134 HB VAL 20 HB VAL 20 -7.943 -3.304 -0.281
135 HG11 VAL 20 HG11 VAL 20 -8.450 -3.302 2.091
136 HG12 VAL 20 HG12 VAL 20 -7.515 -4.734 1.661
137 HG13 VAL 20 HG13 VAL 20 -9.252 -4.864 1.930
138 HG21 VAL 20 HG21 VAL 20 -7.715 -5.726 -0.590
139 HG22 VAL 20 HG22 VAL 20 -8.785 -5.005 -1.794
140 HG23 VAL 20 HG23 VAL 20 -9.464 -5.895 -0.430
141 H LEU 21 HN LEU 21 -11.337 -2.323 1.857
142 HA LEU 21 HA LEU 21 -10.657 0.435 1.567
143 HB2 LEU 21 HB2 LEU 21 -12.720 -0.417 2.686
144 HB3 LEU 21 HB1 LEU 21 -11.724 -0.980 4.001
145 HG LEU 21 HG LEU 21 -12.995 1.271 4.166
146 HD11 LEU 21 HD11 LEU 21 -10.131 1.022 4.981
147 HD12 LEU 21 HD12 LEU 21 -11.518 0.369 5.850
148 HD13 LEU 21 HD13 LEU 21 -11.319 2.115 5.692
149 HD21 LEU 21 HD21 LEU 21 -11.674 3.213 3.543
150 HD22 LEU 21 HD22 LEU 21 -12.162 2.280 2.129
151 HD23 LEU 21 HD23 LEU 21 -10.513 2.157 2.741
152 H VAL 22 HN VAL 22 -8.927 1.466 2.278
153 HA VAL 22 HA VAL 22 -7.016 -0.104 3.863
154 HB VAL 22 HB VAL 22 -6.443 2.171 1.958
155 HG11 VAL 22 HG11 VAL 22 -4.539 0.381 3.467
156 HG12 VAL 22 HG12 VAL 22 -4.870 2.072 3.844
157 HG13 VAL 22 HG13 VAL 22 -4.094 1.644 2.320
158 HG21 VAL 22 HG21 VAL 22 -7.112 0.142 0.791
159 HG22 VAL 22 HG22 VAL 22 -5.920 -0.787 1.700
160 HG23 VAL 22 HG23 VAL 22 -5.390 0.453 0.564
161 H LYS 23 HN LYS 23 -6.869 0.467 5.865
162 HA LYS 23 HA LYS 23 -7.505 3.205 6.669
163 HB2 LYS 23 HB2 LYS 23 -6.946 0.805 8.420
164 HB3 LYS 23 HB1 LYS 23 -7.705 2.319 8.902
165 HG2 LYS 23 HG2 LYS 23 -9.618 1.812 7.468
166 HG3 LYS 23 HG1 LYS 23 -8.853 0.301 6.983
167 HD2 LYS 23 HD2 LYS 23 -8.886 -0.441 9.333
168 HD3 LYS 23 HD1 LYS 23 -9.732 1.044 9.771
169 HE2 LYS 23 HE2 LYS 23 -11.580 0.428 8.296
170 HE3 LYS 23 HE1 LYS 23 -10.728 -1.046 7.838
171 HZ1 LYS 23 HZ1 LYS 23 -10.832 -1.760 10.158
172 HZ2 LYS 23 HZ2 LYS 23 -12.374 -1.516 9.518
173 HZ3 LYS 23 HZ3 LYS 23 -11.701 -0.368 10.561
174 H ARG 24 HN ARG 24 -4.907 0.952 6.320
175 HA ARG 24 HA ARG 24 -2.935 2.970 6.646
176 HB2 ARG 24 HB2 ARG 24 -1.760 1.947 8.585
177 HB3 ARG 24 HB1 ARG 24 -3.320 2.636 9.012
178 HG2 ARG 24 HG2 ARG 24 -4.317 0.408 8.984
179 HG3 ARG 24 HG1 ARG 24 -2.757 -0.284 8.544
180 HD2 ARG 24 HD2 ARG 24 -3.217 -0.516 10.935
181 HD3 ARG 24 HD1 ARG 24 -1.799 0.482 10.634
182 HE ARG 24 HE ARG 24 -3.574 2.378 10.890
183 HH11 ARG 24 HH11 ARG 24 -3.370 -0.582 12.745
184 HH12 ARG 24 HH12 ARG 24 -4.013 0.129 14.188
185 HH21 ARG 24 HH21 ARG 24 -4.434 3.314 12.784
186 HH22 ARG 24 HH22 ARG 24 -4.627 2.346 14.208
187 H PHE 25 HN PHE 25 -0.755 2.122 6.341
188 HA PHE 25 HA PHE 25 -0.761 -0.400 4.820
189 HB2 PHE 25 HB2 PHE 25 0.990 2.061 4.574
190 HB3 PHE 25 HB1 PHE 25 1.325 0.547 3.745
191 HD1 PHE 25 HD1 PHE 25 -1.384 3.070 4.154
192 HD2 PHE 25 HD2 PHE 25 0.518 0.239 1.621
193 HE1 PHE 25 HE1 PHE 25 -2.820 3.775 2.294
194 HE2 PHE 25 HE2 PHE 25 -0.914 0.938 -0.246
195 HZ PHE 25 HZ PHE 25 -2.589 2.710 0.084
196 H GLN 26 HN GLN 26 0.628 -1.976 5.392
197 HA GLN 26 HA GLN 26 2.476 -1.418 7.623
198 HB2 GLN 26 HB2 GLN 26 0.717 -2.960 8.290
199 HB3 GLN 26 HB1 GLN 26 1.030 -3.974 6.889
200 HG2 GLN 26 HG2 GLN 26 1.962 -4.976 8.876
201 HG3 GLN 26 HG1 GLN 26 3.245 -4.508 7.768
202 HE21 GLN 26 HE21 GLN 26 1.562 -2.166 9.723
203 HE22 GLN 26 HE22 GLN 26 2.879 -1.815 10.779
204 H LEU 27 HN LEU 27 4.596 -1.744 7.251
205 HA LEU 27 HA LEU 27 5.297 -2.924 4.652
206 HB2 LEU 27 HB2 LEU 27 6.708 -0.954 6.437
207 HB3 LEU 27 HB1 LEU 27 7.554 -1.802 5.161
208 HG LEU 27 HG LEU 27 6.952 0.402 4.403
209 HD11 LEU 27 HD11 LEU 27 5.630 -0.159 2.407
210 HD12 LEU 27 HD12 LEU 27 5.260 -1.726 3.121
211 HD13 LEU 27 HD13 LEU 27 6.926 -1.310 2.721
212 HD21 LEU 27 HD21 LEU 27 4.642 1.139 4.198
213 HD22 LEU 27 HD22 LEU 27 5.067 0.828 5.882
214 HD23 LEU 27 HD23 LEU 27 4.094 -0.340 4.987
215 H SER 28 HN SER 28 6.325 -4.787 4.561
216 HA SER 28 HA SER 28 7.416 -5.881 7.068
217 HB2 SER 28 HB2 SER 28 5.403 -7.069 6.242
218 HB3 SER 28 HB1 SER 28 6.226 -7.373 4.714
219 HG SER 28 HG SER 28 7.287 -8.955 5.601
220 H GLY 29 HN GLY 29 9.568 -6.044 7.074
221 HA2 GLY 29 HA2 GLY 29 11.572 -7.015 6.227
222 HA3 GLY 29 HA1 GLY 29 10.914 -6.886 4.604
223 H ASN 30 HN ASN 30 10.225 -4.030 6.071
224 HA ASN 30 HA ASN 30 12.324 -2.668 4.653
225 HB2 ASN 30 HB2 ASN 30 11.173 -0.607 5.398
226 HB3 ASN 30 HB1 ASN 30 10.094 -1.729 4.581
227 HD21 ASN 30 HD21 ASN 30 9.611 0.445 6.541
228 HD22 ASN 30 HD22 ASN 30 8.679 -0.289 7.804
229 H ARG 31 HN ARG 31 14.195 -2.081 5.447
230 HA ARG 31 HA ARG 31 14.425 -1.599 8.344
231 HB2 ARG 31 HB2 ARG 31 16.367 -3.057 6.551
232 HB3 ARG 31 HB1 ARG 31 16.787 -2.471 8.153
233 HG2 ARG 31 HG2 ARG 31 14.668 -4.507 7.501
234 HG3 ARG 31 HG1 ARG 31 16.245 -4.827 8.223
235 HD2 ARG 31 HD2 ARG 31 13.972 -3.256 9.425
236 HD3 ARG 31 HD1 ARG 31 14.584 -4.819 9.960
237 HE ARG 31 HE ARG 31 16.704 -3.598 10.488
238 HH11 ARG 31 HH11 ARG 31 13.630 -1.928 10.426
239 HH12 ARG 31 HH12 ARG 31 14.130 -0.691 11.533
240 HH21 ARG 31 HH21 ARG 31 17.373 -1.969 11.941
241 HH22 ARG 31 HH22 ARG 31 16.264 -0.711 12.389
242 H GLN 32 HN GLN 32 15.464 -0.839 5.088
243 HA GLN 32 HA GLN 32 17.326 1.186 5.811
244 HB2 GLN 32 HB2 GLN 32 15.815 0.714 3.238
245 HB3 GLN 32 HB1 GLN 32 17.123 1.871 3.421
246 HG2 GLN 32 HG2 GLN 32 17.320 -1.112 3.760
247 HG3 GLN 32 HG1 GLN 32 17.929 -0.166 2.401
248 HE21 GLN 32 HE21 GLN 32 19.324 -1.925 4.296
249 HE22 GLN 32 HE22 GLN 32 20.567 -0.953 5.004
250 H PHE 33 HN PHE 33 13.885 1.132 5.202
251 HA PHE 33 HA PHE 33 13.716 3.831 6.329
252 HB2 PHE 33 HB2 PHE 33 12.152 2.877 3.914
253 HB3 PHE 33 HB1 PHE 33 11.911 4.407 4.745
254 HD1 PHE 33 HD2 PHE 33 13.806 6.079 4.766
255 HD2 PHE 33 HD1 PHE 33 13.762 2.666 2.223
256 HE1 PHE 33 HE2 PHE 33 15.492 7.137 3.321
257 HE2 PHE 33 HE1 PHE 33 15.449 3.719 0.777
258 HZ PHE 33 HZ PHE 33 16.317 5.956 1.326
259 H ASP 34 HN ASP 34 11.979 4.135 7.691
260 HA ASP 34 HA ASP 34 10.779 1.714 8.699
261 HB2 ASP 34 HB2 ASP 34 9.882 3.112 10.480
262 HB3 ASP 34 HB1 ASP 34 11.588 3.470 10.240
263 H ASP 35 HN ASP 35 8.367 1.861 9.339
264 HA ASP 35 HA ASP 35 6.893 1.685 6.990
265 HB2 ASP 35 HB2 ASP 35 5.944 2.023 9.832
266 HB3 ASP 35 HB1 ASP 35 4.860 1.722 8.486
267 H ARG 36 HN ARG 36 6.753 4.259 9.446
268 HA ARG 36 HA ARG 36 4.786 5.781 8.177
269 HB2 ARG 36 HB2 ARG 36 5.623 6.021 10.559
270 HB3 ARG 36 HB1 ARG 36 6.973 6.937 9.899
271 HG2 ARG 36 HG2 ARG 36 5.441 8.580 8.987
272 HG3 ARG 36 HG1 ARG 36 4.065 7.648 9.575
273 HD2 ARG 36 HD2 ARG 36 4.998 7.930 11.890
274 HD3 ARG 36 HD1 ARG 36 6.166 9.060 11.205
275 HE ARG 36 HE ARG 36 3.457 9.703 10.524
276 HH11 ARG 36 HH11 ARG 36 5.932 10.085 12.974
277 HH12 ARG 36 HH12 ARG 36 5.188 11.486 13.677
278 HH21 ARG 36 HH21 ARG 36 2.494 11.544 11.434
279 HH22 ARG 36 HH22 ARG 36 3.242 12.325 12.795
280 H ARG 37 HN ARG 37 8.259 5.695 7.745
281 HA ARG 37 HA ARG 37 8.508 7.988 6.118
282 HB2 ARG 37 HB2 ARG 37 10.443 6.871 7.131
283 HB3 ARG 37 HB1 ARG 37 10.162 5.455 6.129
284 HG2 ARG 37 HG2 ARG 37 11.982 6.796 5.247
285 HG3 ARG 37 HG1 ARG 37 10.621 6.773 4.126
286 HD2 ARG 37 HD2 ARG 37 9.922 8.966 4.882
287 HD3 ARG 37 HD1 ARG 37 11.207 8.987 6.087
288 HE ARG 37 HE ARG 37 12.735 8.826 4.042
289 HH11 ARG 37 HH11 ARG 37 9.665 10.511 4.098
290 HH12 ARG 37 HH12 ARG 37 10.109 11.624 2.844
291 HH21 ARG 37 HH21 ARG 37 13.328 10.309 2.402
292 HH22 ARG 37 HH22 ARG 37 12.192 11.516 1.885
293 H LEU 38 HN LEU 38 7.859 4.588 5.348
294 HA LEU 38 HA LEU 38 7.735 5.107 2.524
295 HB2 LEU 38 HB2 LEU 38 7.173 2.701 4.223
296 HB3 LEU 38 HB1 LEU 38 6.717 2.722 2.534
297 HG LEU 38 HG LEU 38 8.760 2.058 1.967
298 HD11 LEU 38 HD11 LEU 38 10.756 3.435 2.380
299 HD12 LEU 38 HD12 LEU 38 9.797 4.466 3.441
300 HD13 LEU 38 HD13 LEU 38 9.403 4.356 1.723
301 HD21 LEU 38 HD21 LEU 38 9.411 2.263 4.896
302 HD22 LEU 38 HD22 LEU 38 10.429 1.480 3.687
303 HD23 LEU 38 HD23 LEU 38 8.824 0.841 4.031
304 H LEU 39 HN LEU 39 5.514 5.054 5.167
305 HA LEU 39 HA LEU 39 3.070 4.788 3.831
306 HB2 LEU 39 HB2 LEU 39 3.998 5.877 6.407
307 HB3 LEU 39 HB1 LEU 39 2.463 6.500 5.848
308 HG LEU 39 HG LEU 39 1.400 4.434 6.044
309 HD11 LEU 39 HD11 LEU 39 4.118 3.134 6.134
310 HD12 LEU 39 HD12 LEU 39 2.974 3.075 4.794
311 HD13 LEU 39 HD13 LEU 39 2.578 2.299 6.326
312 HD21 LEU 39 HD21 LEU 39 2.136 5.444 8.213
313 HD22 LEU 39 HD22 LEU 39 3.479 4.295 8.216
314 HD23 LEU 39 HD23 LEU 39 1.816 3.710 8.270
315 H ALA 40 HN ALA 40 5.189 7.527 4.228
316 HA ALA 40 HA ALA 40 3.495 9.577 3.344
317 HB1 ALA 40 HB1 ALA 40 6.476 9.317 2.948
318 HB2 ALA 40 HB2 ALA 40 5.676 9.984 4.371
319 HB3 ALA 40 HB3 ALA 40 5.539 10.805 2.817
320 H LEU 41 HN LEU 41 5.075 7.038 1.589
321 HA LEU 41 HA LEU 41 4.789 8.224 -1.002
322 HB2 LEU 41 HB2 LEU 41 5.308 5.423 -0.038
323 HB3 LEU 41 HB1 LEU 41 5.098 5.790 -1.740
324 HG LEU 41 HG LEU 41 7.101 7.443 -0.336
325 HD11 LEU 41 HD11 LEU 41 7.430 5.193 0.666
326 HD12 LEU 41 HD12 LEU 41 8.790 5.736 -0.314
327 HD13 LEU 41 HD13 LEU 41 7.657 4.552 -0.957
328 HD21 LEU 41 HD21 LEU 41 7.135 5.883 -2.919
329 HD22 LEU 41 HD22 LEU 41 8.294 7.118 -2.415
330 HD23 LEU 41 HD23 LEU 41 6.623 7.565 -2.756
331 H LEU 42 HN LEU 42 2.747 6.503 1.167
332 HA LEU 42 HA LEU 42 0.735 6.110 -0.946
333 HB2 LEU 42 HB2 LEU 42 0.832 4.887 1.812
334 HB3 LEU 42 HB1 LEU 42 -0.380 4.565 0.594
335 HG LEU 42 HG LEU 42 0.854 2.736 0.209
336 HD11 LEU 42 HD11 LEU 42 2.642 4.722 -1.170
337 HD12 LEU 42 HD12 LEU 42 1.182 3.987 -1.837
338 HD13 LEU 42 HD13 LEU 42 2.591 2.986 -1.481
339 HD21 LEU 42 HD21 LEU 42 3.335 4.118 1.192
340 HD22 LEU 42 HD22 LEU 42 3.115 2.394 0.890
341 HD23 LEU 42 HD23 LEU 42 2.232 3.177 2.195
342 H HIS 43 HN HIS 43 1.509 8.525 0.755
343 HA HIS 43 HA HIS 43 -0.261 9.021 2.811
344 HB2 HIS 43 HB2 HIS 43 0.457 11.275 2.720
345 HB3 HIS 43 HB1 HIS 43 1.811 10.324 2.139
346 HD1 HIS 43 HD1 HIS 43 -0.401 13.086 1.191
347 HD2 HIS 43 HD2 HIS 43 2.155 10.445 -0.746
348 HE1 HIS 43 HE1 HIS 43 -0.003 14.076 -1.083
349 HE2 HIS 43 HE2 HIS 43 1.621 12.513 -2.202
350 H ASP 44 HN ASP 44 -0.994 8.984 -0.545
351 HA ASP 44 HA ASP 44 -3.428 10.581 -0.112
352 HB2 ASP 44 HB2 ASP 44 -3.424 10.897 -2.576
353 HB3 ASP 44 HB1 ASP 44 -1.979 11.536 -1.800
354 H LEU 45 HN LEU 45 -2.773 7.507 0.147
355 HA LEU 45 HA LEU 45 -4.736 6.532 -1.793
356 HB2 LEU 45 HB2 LEU 45 -2.679 5.043 -0.187
357 HB3 LEU 45 HB1 LEU 45 -3.863 4.268 -1.218
358 HG LEU 45 HG LEU 45 -1.703 6.172 -2.128
359 HD11 LEU 45 HD11 LEU 45 -0.738 4.221 -3.195
360 HD12 LEU 45 HD12 LEU 45 -2.038 3.211 -2.562
361 HD13 LEU 45 HD13 LEU 45 -0.886 3.959 -1.456
362 HD21 LEU 45 HD21 LEU 45 -3.692 6.409 -3.499
363 HD22 LEU 45 HD22 LEU 45 -3.787 4.660 -3.700
364 HD23 LEU 45 HD23 LEU 45 -2.435 5.555 -4.393
365 HA PRO 46 HA PRO 46 -6.314 4.292 2.087
366 HB2 PRO 46 HB2 PRO 46 -5.674 5.179 4.564
367 HB3 PRO 46 HB1 PRO 46 -4.746 3.961 3.695
368 HG2 PRO 46 HG2 PRO 46 -4.154 6.840 4.108
369 HG3 PRO 46 HG1 PRO 46 -3.052 5.455 4.006
370 HD2 PRO 46 HD2 PRO 46 -3.523 7.250 1.958
371 HD3 PRO 46 HD1 PRO 46 -2.889 5.611 1.742
372 H GLY 47 HN GLY 47 -8.032 4.697 3.704
373 HA2 GLY 47 HA2 GLY 47 -9.773 6.081 4.513
374 HA3 GLY 47 HA1 GLY 47 -9.143 7.407 3.538
375 H GLN 48 HN GLN 48 -8.826 5.556 1.245
376 HA GLN 48 HA GLN 48 -11.638 5.402 0.408
377 HB2 GLN 48 HB2 GLN 48 -9.095 5.686 -1.196
378 HB3 GLN 48 HB1 GLN 48 -10.660 5.346 -1.917
379 HG2 GLN 48 HG2 GLN 48 -11.523 7.454 -1.073
380 HG3 GLN 48 HG1 GLN 48 -9.976 7.783 -0.300
381 HE21 GLN 48 HE21 GLN 48 -9.723 9.688 -1.484
382 HE22 GLN 48 HE22 GLN 48 -9.303 9.668 -3.158
383 H GLU 49 HN GLU 49 -12.012 3.661 -1.253
384 HA GLU 49 HA GLU 49 -10.796 1.179 -0.303
385 HB2 GLU 49 HB2 GLU 49 -13.331 1.729 -1.849
386 HB3 GLU 49 HB1 GLU 49 -12.703 0.105 -1.581
387 HG2 GLU 49 HG2 GLU 49 -12.865 0.422 0.825
388 HG3 GLU 49 HG1 GLU 49 -13.453 2.062 0.579
389 H LEU 50 HN LEU 50 -9.146 0.475 -1.378
390 HA LEU 50 HA LEU 50 -8.707 1.362 -4.133
391 HB2 LEU 50 HB2 LEU 50 -6.880 0.167 -2.049
392 HB3 LEU 50 HB1 LEU 50 -6.375 0.496 -3.696
393 HG LEU 50 HG LEU 50 -5.545 2.292 -2.451
394 HD11 LEU 50 HD11 LEU 50 -6.770 4.249 -3.195
395 HD12 LEU 50 HD12 LEU 50 -8.175 3.247 -3.552
396 HD13 LEU 50 HD13 LEU 50 -6.684 3.031 -4.469
397 HD21 LEU 50 HD21 LEU 50 -6.868 3.598 -0.851
398 HD22 LEU 50 HD22 LEU 50 -6.707 1.908 -0.374
399 HD23 LEU 50 HD23 LEU 50 -8.217 2.486 -1.079
400 H ASN 51 HN ASN 51 -8.443 -0.056 -5.821
401 HA ASN 51 HA ASN 51 -9.357 -2.776 -5.368
402 HB2 ASN 51 HB2 ASN 51 -9.306 -2.996 -7.839
403 HB3 ASN 51 HB1 ASN 51 -10.278 -1.632 -7.307
404 HD21 ASN 51 HD21 ASN 51 -10.091 -0.698 -9.358
405 HD22 ASN 51 HD22 ASN 51 -8.632 0.092 -9.864
406 H LEU 52 HN LEU 52 -8.117 -4.534 -6.705
407 HA LEU 52 HA LEU 52 -5.699 -5.009 -5.468
408 HB2 LEU 52 HB2 LEU 52 -7.078 -6.124 -7.835
409 HB3 LEU 52 HB1 LEU 52 -5.358 -6.441 -7.737
410 HG LEU 52 HG LEU 52 -6.720 -8.269 -6.808
411 HD11 LEU 52 HD11 LEU 52 -5.053 -6.819 -4.760
412 HD12 LEU 52 HD12 LEU 52 -4.453 -7.920 -5.999
413 HD13 LEU 52 HD13 LEU 52 -5.497 -8.525 -4.714
414 HD21 LEU 52 HD21 LEU 52 -8.589 -6.952 -5.958
415 HD22 LEU 52 HD22 LEU 52 -7.540 -6.243 -4.731
416 HD23 LEU 52 HD23 LEU 52 -7.899 -7.969 -4.694
417 H SER 53 HN SER 53 -6.232 -3.590 -8.676
418 HA SER 53 HA SER 53 -3.596 -3.364 -9.506
419 HB2 SER 53 HB2 SER 53 -5.859 -1.424 -10.039
420 HB3 SER 53 HB1 SER 53 -4.400 -1.618 -11.011
421 HG SER 53 HG SER 53 -6.154 -2.777 -11.903
422 H GLN 54 HN GLN 54 -5.551 -0.990 -7.725
423 HA GLN 54 HA GLN 54 -3.468 0.905 -7.427
424 HB2 GLN 54 HB2 GLN 54 -6.099 0.484 -6.021
425 HB3 GLN 54 HB1 GLN 54 -5.022 1.806 -5.600
426 HG2 GLN 54 HG2 GLN 54 -5.161 2.667 -7.865
427 HG3 GLN 54 HG1 GLN 54 -6.184 1.311 -8.331
428 HE21 GLN 54 HE21 GLN 54 -8.316 1.268 -7.680
429 HE22 GLN 54 HE22 GLN 54 -9.117 2.651 -7.023
430 H LEU 55 HN LEU 55 -4.472 -1.871 -5.553
431 HA LEU 55 HA LEU 55 -3.123 -1.324 -3.160
432 HB2 LEU 55 HB2 LEU 55 -3.666 -3.991 -4.463
433 HB3 LEU 55 HB1 LEU 55 -3.150 -3.781 -2.809
434 HG LEU 55 HG LEU 55 -5.771 -2.867 -3.986
435 HD11 LEU 55 HD11 LEU 55 -5.170 -4.963 -1.909
436 HD12 LEU 55 HD12 LEU 55 -5.555 -5.291 -3.595
437 HD13 LEU 55 HD13 LEU 55 -6.756 -4.534 -2.548
438 HD21 LEU 55 HD21 LEU 55 -6.361 -2.234 -1.691
439 HD22 LEU 55 HD22 LEU 55 -5.016 -1.278 -2.311
440 HD23 LEU 55 HD23 LEU 55 -4.712 -2.592 -1.176
441 H HIS 56 HN HIS 56 -2.000 -3.279 -5.951
442 HA HIS 56 HA HIS 56 0.610 -3.505 -4.777
443 HB2 HIS 56 HB2 HIS 56 1.287 -4.685 -6.786
444 HB3 HIS 56 HB1 HIS 56 -0.229 -5.317 -6.174
445 HD1 HIS 56 HD1 HIS 56 1.191 -3.320 -9.032
446 HD2 HIS 56 HD2 HIS 56 -2.330 -5.237 -7.938
447 HE1 HIS 56 HE1 HIS 56 -0.224 -3.364 -11.108
448 HE2 HIS 56 HE2 HIS 56 -2.233 -4.743 -10.479
449 H ALA 57 HN ALA 57 -0.913 -1.290 -6.927
450 HA ALA 57 HA ALA 57 1.337 -0.064 -8.071
451 HB1 ALA 57 HB1 ALA 57 -1.240 1.256 -7.211
452 HB2 ALA 57 HB2 ALA 57 -0.972 0.440 -8.751
453 HB3 ALA 57 HB3 ALA 57 -0.069 1.903 -8.360
454 H ALA 58 HN ALA 58 -0.132 0.226 -4.907
455 HA ALA 58 HA ALA 58 1.288 2.428 -3.917
456 HB1 ALA 58 HB1 ALA 58 0.308 -0.007 -2.426
457 HB2 ALA 58 HB2 ALA 58 -0.637 1.441 -2.775
458 HB3 ALA 58 HB3 ALA 58 0.760 1.536 -1.702
459 H ALA 59 HN ALA 59 2.093 -0.996 -4.080
460 HA ALA 59 HA ALA 59 4.486 -0.853 -2.571
461 HB1 ALA 59 HB1 ALA 59 4.967 -3.060 -3.505
462 HB2 ALA 59 HB2 ALA 59 3.657 -2.859 -4.668
463 HB3 ALA 59 HB3 ALA 59 3.299 -2.954 -2.944
464 H ALA 60 HN ALA 60 3.719 -0.436 -5.964
465 HA ALA 60 HA ALA 60 6.333 -0.472 -6.988
466 HB1 ALA 60 HB1 ALA 60 5.402 0.645 -8.944
467 HB2 ALA 60 HB2 ALA 60 3.937 1.027 -8.040
468 HB3 ALA 60 HB3 ALA 60 4.339 -0.651 -8.400
469 H ARG 61 HN ARG 61 4.355 2.141 -5.683
470 HA ARG 61 HA ARG 61 6.001 4.322 -6.206
471 HB2 ARG 61 HB2 ARG 61 4.305 3.768 -3.763
472 HB3 ARG 61 HB1 ARG 61 5.015 5.327 -4.144
473 HG2 ARG 61 HG2 ARG 61 3.670 5.495 -6.143
474 HG3 ARG 61 HG1 ARG 61 3.018 3.879 -5.864
475 HD2 ARG 61 HD2 ARG 61 1.955 4.590 -3.838
476 HD3 ARG 61 HD1 ARG 61 2.742 6.162 -3.921
477 HE ARG 61 HE ARG 61 0.993 5.484 -6.144
478 HH11 ARG 61 HH11 ARG 61 1.415 7.130 -3.093
479 HH12 ARG 61 HH12 ARG 61 0.038 8.177 -3.309
480 HH21 ARG 61 HH21 ARG 61 -0.855 6.853 -6.424
481 HH22 ARG 61 HH22 ARG 61 -1.251 8.007 -5.185
482 H ILE 62 HN ILE 62 6.123 1.948 -3.616
483 HA ILE 62 HA ILE 62 8.239 3.291 -2.206
484 HB ILE 62 HB ILE 62 7.083 0.527 -1.848
485 HG12 ILE 62 HG12 ILE 62 6.557 3.088 -0.333
486 HG13 ILE 62 HG11 ILE 62 5.467 2.360 -1.510
487 HG21 ILE 62 HG21 ILE 62 9.307 0.628 -0.909
488 HG22 ILE 62 HG22 ILE 62 8.113 0.610 0.394
489 HG23 ILE 62 HG23 ILE 62 8.910 2.121 -0.056
490 HD11 ILE 62 HD11 ILE 62 5.103 0.480 -0.109
491 HD12 ILE 62 HD12 ILE 62 4.891 1.938 0.863
492 HD13 ILE 62 HD13 ILE 62 6.374 0.997 0.997
493 H GLY 63 HN GLY 63 7.923 0.525 -4.356
494 HA2 GLY 63 HA2 GLY 63 10.537 -0.457 -4.193
495 HA3 GLY 63 HA1 GLY 63 9.487 -0.596 -5.596
496 H ASP 64 HN ASP 64 9.148 2.013 -6.315
497 HA ASP 64 HA ASP 64 11.571 2.602 -7.680
498 HB2 ASP 64 HB2 ASP 64 9.303 3.152 -8.542
499 HB3 ASP 64 HB1 ASP 64 9.138 4.361 -7.275
500 H PHE 65 HN PHE 65 10.069 3.794 -4.752
501 HA PHE 65 HA PHE 65 11.587 6.077 -4.273
502 HB2 PHE 65 HB2 PHE 65 9.615 5.460 -2.944
503 HB3 PHE 65 HB1 PHE 65 10.483 4.084 -2.274
504 HD1 PHE 65 HD1 PHE 65 10.486 7.790 -2.442
505 HD2 PHE 65 HD2 PHE 65 11.783 4.316 -0.354
506 HE1 PHE 65 HE1 PHE 65 11.276 9.202 -0.590
507 HE2 PHE 65 HE2 PHE 65 12.578 5.723 1.500
508 HZ PHE 65 HZ PHE 65 12.326 8.167 1.384
509 H TYR 66 HN TYR 66 12.177 2.741 -3.196
510 HA TYR 66 HA TYR 66 14.632 3.190 -1.933
511 HB2 TYR 66 HB2 TYR 66 13.243 0.817 -3.069
512 HB3 TYR 66 HB1 TYR 66 14.957 0.663 -2.712
513 HD1 TYR 66 HD2 TYR 66 11.774 1.799 -1.091
514 HD2 TYR 66 HD1 TYR 66 15.599 0.002 -0.616
515 HE1 TYR 66 HE2 TYR 66 11.255 1.327 1.263
516 HE2 TYR 66 HE1 TYR 66 15.096 -0.472 1.735
517 HH TYR 66 HH TYR 66 13.622 -0.315 3.369
518 H GLN 67 HN GLN 67 13.872 2.421 -5.289
519 HA GLN 67 HA GLN 67 16.458 1.910 -6.212
520 HB2 GLN 67 HB2 GLN 67 14.159 3.152 -7.732
521 HB3 GLN 67 HB1 GLN 67 15.577 2.395 -8.448
522 HG2 GLN 67 HG2 GLN 67 14.937 0.259 -7.489
523 HG3 GLN 67 HG1 GLN 67 13.539 1.009 -6.724
524 HE21 GLN 67 HE21 GLN 67 13.141 2.726 -9.134
525 HE22 GLN 67 HE22 GLN 67 12.394 1.685 -10.295
526 H GLU 68 HN GLU 68 14.655 4.969 -6.041
527 HA GLU 68 HA GLU 68 16.708 6.513 -7.271
528 HB2 GLU 68 HB2 GLU 68 14.474 7.436 -5.460
529 HB3 GLU 68 HB1 GLU 68 15.458 8.467 -6.487
530 HG2 GLU 68 HG2 GLU 68 14.593 7.076 -8.432
531 HG3 GLU 68 HG1 GLU 68 13.401 6.447 -7.294
532 H LYS 69 HN LYS 69 16.337 5.240 -4.131
533 HA LYS 69 HA LYS 69 18.088 7.222 -2.913
534 HB2 LYS 69 HB2 LYS 69 16.794 4.755 -1.738
535 HB3 LYS 69 HB1 LYS 69 17.742 5.926 -0.834
536 HG2 LYS 69 HG2 LYS 69 15.167 6.512 -2.280
537 HG3 LYS 69 HG1 LYS 69 15.333 6.249 -0.544
538 HD2 LYS 69 HD2 LYS 69 16.780 8.208 -0.377
539 HD3 LYS 69 HD1 LYS 69 16.659 8.457 -2.119
540 HE2 LYS 69 HE2 LYS 69 14.222 8.754 -1.875
541 HE3 LYS 69 HE1 LYS 69 14.391 8.574 -0.134
542 HZ1 LYS 69 HZ1 LYS 69 14.282 10.907 -0.882
543 HZ2 LYS 69 HZ2 LYS 69 15.728 10.689 -1.727
544 HZ3 LYS 69 HZ3 LYS 69 15.707 10.553 -0.042
545 H GLY 70 HN GLY 70 18.600 4.744 -4.906
546 HA2 GLY 70 HA2 GLY 70 20.853 4.161 -5.463
547 HA3 GLY 70 HA1 GLY 70 21.273 4.294 -3.763
548 H TYR 71 HN TYR 71 18.519 2.768 -3.487
549 HA TYR 71 HA TYR 71 19.817 0.168 -3.367
550 HB2 TYR 71 HB2 TYR 71 17.034 0.919 -2.447
551 HB3 TYR 71 HB1 TYR 71 17.952 -0.515 -1.998
552 HD1 TYR 71 HD1 TYR 71 20.211 -0.074 -0.792
553 HD2 TYR 71 HD2 TYR 71 17.065 2.774 -1.050
554 HE1 TYR 71 HE1 TYR 71 21.109 1.083 1.171
555 HE2 TYR 71 HE2 TYR 71 17.959 3.945 0.917
556 HH TYR 71 HH TYR 71 19.361 3.528 2.828
557 H VAL 72 HN VAL 72 19.922 0.023 -5.694
558 HA VAL 72 HA VAL 72 17.544 0.084 -7.283
559 HB VAL 72 HB VAL 72 20.271 -0.968 -8.049
560 HG11 VAL 72 HG11 VAL 72 19.596 -0.446 -10.328
561 HG12 VAL 72 HG12 VAL 72 18.022 0.096 -9.749
562 HG13 VAL 72 HG13 VAL 72 18.482 -1.600 -9.593
563 HG21 VAL 72 HG21 VAL 72 20.721 1.267 -8.922
564 HG22 VAL 72 HG22 VAL 72 20.435 1.308 -7.182
565 HG23 VAL 72 HG23 VAL 72 19.171 1.828 -8.295
566 H LEU 73 HN LEU 73 19.337 -2.376 -5.607
567 HA LEU 73 HA LEU 73 18.081 -4.578 -6.967
568 HB2 LEU 73 HB2 LEU 73 20.294 -4.807 -5.921
569 HB3 LEU 73 HB1 LEU 73 19.588 -4.492 -4.349
570 HG LEU 73 HG LEU 73 18.250 -6.570 -4.565
571 HD11 LEU 73 HD11 LEU 73 18.162 -6.703 -6.995
572 HD12 LEU 73 HD12 LEU 73 18.824 -8.183 -6.303
573 HD13 LEU 73 HD13 LEU 73 19.900 -7.001 -7.050
574 HD21 LEU 73 HD21 LEU 73 20.359 -6.592 -3.358
575 HD22 LEU 73 HD22 LEU 73 21.231 -6.903 -4.859
576 HD23 LEU 73 HD23 LEU 73 20.121 -8.115 -4.216
577 H ALA 74 HN ALA 74 17.189 -2.391 -4.547
578 HA ALA 74 HA ALA 74 15.393 -4.154 -3.140
579 HB1 ALA 74 HB1 ALA 74 15.785 -1.174 -2.963
580 HB2 ALA 74 HB2 ALA 74 16.506 -2.392 -1.912
581 HB3 ALA 74 HB3 ALA 74 14.761 -2.130 -1.894
582 H ARG 75 HN ARG 75 13.267 -4.360 -3.395
583 HA ARG 75 HA ARG 75 11.734 -2.419 -4.908
584 HB2 ARG 75 HB2 ARG 75 12.619 -4.062 -6.602
585 HB3 ARG 75 HB1 ARG 75 11.737 -5.325 -5.755
586 HG2 ARG 75 HG2 ARG 75 10.425 -4.673 -7.615
587 HG3 ARG 75 HG1 ARG 75 9.643 -4.016 -6.176
588 HD2 ARG 75 HD2 ARG 75 10.827 -1.855 -6.633
589 HD3 ARG 75 HD1 ARG 75 11.359 -2.542 -8.166
590 HE ARG 75 HE ARG 75 8.542 -2.756 -7.887
591 HH11 ARG 75 HH11 ARG 75 11.096 -0.490 -8.694
592 HH12 ARG 75 HH12 ARG 75 10.041 0.576 -9.566
593 HH21 ARG 75 HH21 ARG 75 7.171 -1.376 -9.049
594 HH22 ARG 75 HH22 ARG 75 7.803 0.074 -9.766
595 H ALA 76 HN ALA 76 9.735 -2.236 -4.047
596 HA ALA 76 HA ALA 76 8.985 -4.135 -1.958
597 HB1 ALA 76 HB1 ALA 76 8.985 -1.745 -1.399
598 HB2 ALA 76 HB2 ALA 76 7.375 -2.450 -1.257
599 HB3 ALA 76 HB3 ALA 76 7.782 -1.458 -2.658
600 H PHE 77 HN PHE 77 7.261 -5.467 -2.112
601 HA PHE 77 HA PHE 77 5.416 -5.081 -4.359
602 HB2 PHE 77 HB2 PHE 77 5.481 -7.445 -4.929
603 HB3 PHE 77 HB1 PHE 77 7.100 -6.768 -5.039
604 HD1 PHE 77 HD1 PHE 77 8.802 -7.350 -3.381
605 HD2 PHE 77 HD2 PHE 77 4.936 -9.129 -3.320
606 HE1 PHE 77 HE1 PHE 77 9.644 -9.115 -1.891
607 HE2 PHE 77 HE2 PHE 77 5.772 -10.898 -1.826
608 HZ PHE 77 HZ PHE 77 8.113 -10.910 -1.126
609 H LEU 78 HN LEU 78 3.333 -5.910 -4.027
610 HA LEU 78 HA LEU 78 2.722 -6.438 -1.207
611 HB2 LEU 78 HB2 LEU 78 1.673 -4.462 -2.441
612 HB3 LEU 78 HB1 LEU 78 0.770 -5.644 -3.366
613 HG LEU 78 HG LEU 78 0.609 -5.532 -0.359
614 HD11 LEU 78 HD11 LEU 78 -1.423 -4.203 -0.621
615 HD12 LEU 78 HD12 LEU 78 -1.132 -4.090 -2.357
616 HD13 LEU 78 HD13 LEU 78 -0.010 -3.336 -1.222
617 HD21 LEU 78 HD21 LEU 78 -0.202 -7.571 -1.448
618 HD22 LEU 78 HD22 LEU 78 -1.264 -6.601 -2.469
619 HD23 LEU 78 HD23 LEU 78 -1.523 -6.653 -0.725
620 HA PRO 79 HA PRO 79 2.039 -10.634 -2.628
621 HB2 PRO 79 HB2 PRO 79 1.314 -11.633 -0.205
622 HB3 PRO 79 HB1 PRO 79 2.995 -11.335 -0.660
623 HG2 PRO 79 HG2 PRO 79 1.155 -9.655 0.994
624 HG3 PRO 79 HG1 PRO 79 2.865 -10.036 1.260
625 HD2 PRO 79 HD2 PRO 79 2.043 -7.682 0.214
626 HD3 PRO 79 HD1 PRO 79 3.584 -8.442 -0.239
627 H ALA 80 HN ALA 80 0.176 -9.775 -3.842
628 HA ALA 80 HA ALA 80 -2.391 -9.527 -2.663
629 HB1 ALA 80 HB1 ALA 80 -1.811 -8.471 -4.790
630 HB2 ALA 80 HB2 ALA 80 -3.222 -9.516 -4.958
631 HB3 ALA 80 HB3 ALA 80 -1.648 -10.061 -5.537
632 H GLN 81 HN GLN 81 -3.644 -11.077 -1.904
633 HA GLN 81 HA GLN 81 -4.183 -13.496 -3.258
634 HB2 GLN 81 HB2 GLN 81 -1.919 -14.045 -2.354
635 HB3 GLN 81 HB1 GLN 81 -2.544 -13.789 -0.731
636 HG2 GLN 81 HG2 GLN 81 -2.476 -16.139 -1.213
637 HG3 GLN 81 HG1 GLN 81 -4.152 -15.610 -1.081
638 HE21 GLN 81 HE21 GLN 81 -2.982 -17.926 -2.425
639 HE22 GLN 81 HE22 GLN 81 -3.487 -17.824 -4.074
640 H GLU 82 HN GLU 82 -3.966 -12.141 0.010
641 HA GLU 82 HA GLU 82 -6.859 -12.573 0.332
642 HB2 GLU 82 HB2 GLU 82 -5.702 -14.311 1.602
643 HB3 GLU 82 HB1 GLU 82 -4.694 -13.104 2.383
644 HG2 GLU 82 HG2 GLU 82 -6.344 -13.754 3.943
645 HG3 GLU 82 HG1 GLU 82 -6.769 -12.139 3.385
646 H ILE 83 HN ILE 83 -4.101 -11.119 2.042
647 HA ILE 83 HA ILE 83 -3.704 -9.063 2.893
648 HB ILE 83 HB ILE 83 -5.939 -8.123 1.109
649 HG12 ILE 83 HG12 ILE 83 -2.940 -8.096 0.703
650 HG13 ILE 83 HG11 ILE 83 -4.068 -9.167 -0.118
651 HG21 ILE 83 HG21 ILE 83 -4.990 -5.897 1.421
652 HG22 ILE 83 HG22 ILE 83 -3.771 -6.560 2.511
653 HG23 ILE 83 HG23 ILE 83 -5.473 -6.592 2.972
654 HD11 ILE 83 HD11 ILE 83 -5.130 -7.233 -1.165
655 HD12 ILE 83 HD12 ILE 83 -3.411 -7.330 -1.550
656 HD13 ILE 83 HD13 ILE 83 -3.984 -6.172 -0.349
657 H GLN 84 HN GLN 84 -4.216 -8.104 4.761
658 HA GLN 84 HA GLN 84 -6.584 -8.880 6.150
659 HB2 GLN 84 HB2 GLN 84 -4.599 -6.716 6.886
660 HB3 GLN 84 HB1 GLN 84 -5.753 -7.484 7.962
661 HG2 GLN 84 HG2 GLN 84 -3.831 -8.577 8.531
662 HG3 GLN 84 HG1 GLN 84 -4.482 -9.662 7.308
663 HE21 GLN 84 HE21 GLN 84 -3.395 -9.934 5.395
664 HE22 GLN 84 HE22 GLN 84 -1.827 -9.266 5.091
665 H ASP 85 HN ASP 85 -8.533 -7.993 5.766
666 HA ASP 85 HA ASP 85 -8.864 -5.686 4.187
667 HB2 ASP 85 HB2 ASP 85 -11.243 -5.856 4.683
668 HB3 ASP 85 HB1 ASP 85 -10.581 -7.445 4.333
669 H GLY 86 HN GLY 86 -8.240 -3.756 4.767
670 HA2 GLY 86 HA2 GLY 86 -8.892 -1.836 6.231
671 HA3 GLY 86 HA1 GLY 86 -8.604 -2.931 7.577
672 H THR 87 HN THR 87 -6.260 -4.175 6.623
673 HA THR 87 HA THR 87 -4.381 -1.919 6.442
674 HB THR 87 HB THR 87 -4.054 -4.391 8.148
675 HG1 THR 87 HG1 THR 87 -5.475 -2.484 8.818
676 HG21 THR 87 HG21 THR 87 -2.238 -2.016 7.735
677 HG22 THR 87 HG22 THR 87 -1.927 -3.681 7.251
678 HG23 THR 87 HG23 THR 87 -2.007 -3.262 8.962
679 H VAL 88 HN VAL 88 -3.199 -2.103 4.656
680 HA VAL 88 HA VAL 88 -2.905 -4.737 3.429
681 HB VAL 88 HB VAL 88 -2.129 -3.562 1.432
682 HG11 VAL 88 HG11 VAL 88 -4.510 -3.913 1.673
683 HG12 VAL 88 HG12 VAL 88 -4.215 -2.358 0.894
684 HG13 VAL 88 HG13 VAL 88 -4.663 -2.421 2.599
685 HG21 VAL 88 HG21 VAL 88 -2.565 -1.032 3.011
686 HG22 VAL 88 HG22 VAL 88 -2.123 -1.134 1.307
687 HG23 VAL 88 HG23 VAL 88 -0.999 -1.697 2.546
688 H ARG 89 HN ARG 89 -0.984 -5.785 3.321
689 HA ARG 89 HA ARG 89 1.269 -4.392 4.590
690 HB2 ARG 89 HB2 ARG 89 0.312 -6.380 5.804
691 HB3 ARG 89 HB1 ARG 89 0.869 -7.376 4.468
692 HG2 ARG 89 HG2 ARG 89 3.118 -6.968 4.945
693 HG3 ARG 89 HG1 ARG 89 2.736 -5.603 5.992
694 HD2 ARG 89 HD2 ARG 89 3.385 -7.580 7.273
695 HD3 ARG 89 HD1 ARG 89 1.727 -7.097 7.612
696 HE ARG 89 HE ARG 89 2.213 -9.220 5.651
697 HH11 ARG 89 HH11 ARG 89 0.988 -8.212 8.770
698 HH12 ARG 89 HH12 ARG 89 0.151 -9.699 9.066
699 HH21 ARG 89 HH21 ARG 89 1.109 -11.191 6.043
700 HH22 ARG 89 HH22 ARG 89 0.215 -11.391 7.516
701 H ILE 90 HN ILE 90 2.817 -3.846 3.317
702 HA ILE 90 HA ILE 90 3.206 -5.248 0.768
703 HB ILE 90 HB ILE 90 4.234 -2.563 1.710
704 HG12 ILE 90 HG12 ILE 90 2.089 -3.247 -0.313
705 HG13 ILE 90 HG11 ILE 90 1.800 -2.624 1.307
706 HG21 ILE 90 HG21 ILE 90 4.936 -2.236 -0.627
707 HG22 ILE 90 HG22 ILE 90 4.477 -3.903 -0.981
708 HG23 ILE 90 HG23 ILE 90 5.788 -3.570 0.151
709 HD11 ILE 90 HD11 ILE 90 1.592 -0.873 -0.352
710 HD12 ILE 90 HD12 ILE 90 3.236 -1.186 -0.910
711 HD13 ILE 90 HD13 ILE 90 2.960 -0.559 0.715
712 H GLU 91 HN GLU 91 5.016 -6.420 0.415
713 HA GLU 91 HA GLU 91 6.925 -6.590 2.614
714 HB2 GLU 91 HB2 GLU 91 6.457 -8.376 0.225
715 HB3 GLU 91 HB1 GLU 91 7.752 -8.619 1.387
716 HG2 GLU 91 HG2 GLU 91 6.018 -8.766 3.174
717 HG3 GLU 91 HG1 GLU 91 4.794 -8.729 1.908
718 H VAL 92 HN VAL 92 8.724 -5.521 2.533
719 HA VAL 92 HA VAL 92 9.570 -4.313 0.019
720 HB VAL 92 HB VAL 92 10.594 -3.829 2.825
721 HG11 VAL 92 HG11 VAL 92 11.624 -1.830 1.889
722 HG12 VAL 92 HG12 VAL 92 11.030 -2.262 0.285
723 HG13 VAL 92 HG13 VAL 92 12.224 -3.281 1.087
724 HG21 VAL 92 HG21 VAL 92 9.311 -1.717 2.678
725 HG22 VAL 92 HG22 VAL 92 8.287 -3.152 2.671
726 HG23 VAL 92 HG23 VAL 92 8.602 -2.287 1.167
727 H LEU 93 HN LEU 93 10.855 -5.563 -1.163
728 HA LEU 93 HA LEU 93 12.813 -7.298 0.108
729 HB2 LEU 93 HB2 LEU 93 11.534 -8.137 -1.811
730 HB3 LEU 93 HB1 LEU 93 12.150 -6.831 -2.804
731 HG LEU 93 HG LEU 93 14.448 -7.753 -2.495
732 HD11 LEU 93 HD11 LEU 93 14.695 -10.024 -1.665
733 HD12 LEU 93 HD12 LEU 93 12.979 -10.075 -1.260
734 HD13 LEU 93 HD13 LEU 93 14.054 -8.962 -0.413
735 HD21 LEU 93 HD21 LEU 93 14.134 -9.630 -4.042
736 HD22 LEU 93 HD22 LEU 93 13.168 -8.230 -4.505
737 HD23 LEU 93 HD23 LEU 93 12.403 -9.605 -3.710
738 H GLU 94 HN GLU 94 14.270 -5.847 1.002
739 HA GLU 94 HA GLU 94 15.380 -3.693 -0.537
740 HB2 GLU 94 HB2 GLU 94 16.345 -4.811 2.099
741 HB3 GLU 94 HB1 GLU 94 16.735 -3.237 1.417
742 HG2 GLU 94 HG2 GLU 94 14.352 -2.613 1.578
743 HG3 GLU 94 HG1 GLU 94 14.027 -4.164 2.348
744 H GLY 95 HN GLY 95 15.966 -6.989 -0.311
745 HA2 GLY 95 HA2 GLY 95 17.892 -7.103 -2.270
746 HA3 GLY 95 HA1 GLY 95 18.774 -7.042 -0.749