Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1983 | 1bah RC | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PCA 1 HA PGL 1 -4.028 -7.431 -6.735
2 1HB PCA 1 HB2 PGL 1 -3.722 -9.072 -4.404
3 2HB PCA 1 HB3 PGL 1 -4.835 -9.357 -5.776
4 1HG PCA 1 HG2 PGL 1 -2.126 -10.662 -5.275
5 2HG PCA 1 HG3 PGL 1 -3.636 -11.360 -6.020
6 HN PCA 1 HN PGL 1 -2.295 -8.158 -8.252
7 H PHE 2 HN PHE 2 -1.557 -6.370 -7.390
8 HA PHE 2 HA PHE 2 -0.492 -5.308 -4.861
9 1HB PHE 2 HB2 PHE 2 1.003 -6.119 -7.455
10 2HB PHE 2 HB3 PHE 2 1.748 -5.143 -6.133
11 HD1 PHE 2 HD2 PHE 2 1.823 -6.113 -3.781
12 HD2 PHE 2 HD1 PHE 2 0.926 -8.502 -7.245
13 HE1 PHE 2 HE2 PHE 2 2.408 -8.162 -2.524
14 HE2 PHE 2 HE1 PHE 2 1.503 -10.545 -5.983
15 HZ PHE 2 HZ PHE 2 2.246 -10.383 -3.623
16 H THR 3 HN THR 3 0.418 -3.123 -5.172
17 HA THR 3 HA THR 3 -1.046 -1.512 -7.145
18 HB THR 3 HB THR 3 -0.560 0.313 -5.338
19 HG1 THR 3 HG1 THR 3 0.172 -0.338 -3.552
20 1HG2 THR 3 HG23 THR 3 -2.593 -1.954 -4.828
21 2HG2 THR 3 HG21 THR 3 -2.608 -0.330 -4.050
22 3HG2 THR 3 HG22 THR 3 -2.833 -0.474 -5.838
23 H ASN 4 HN ASN 4 0.187 0.336 -7.992
24 HA ASN 4 HA ASN 4 3.087 0.191 -7.786
25 1HB ASN 4 HB2 ASN 4 3.293 0.333 -10.303
26 2HB ASN 4 HB3 ASN 4 2.738 -1.248 -9.690
27 1HD2 ASN 4 HD22 ASN 4 0.507 0.744 -12.454
28 2HD2 ASN 4 HD21 ASN 4 2.068 1.283 -11.932
29 H VAL 5 HN VAL 5 1.689 1.878 -6.369
30 HA VAL 5 HA VAL 5 1.652 4.476 -7.737
31 HB VAL 5 HB VAL 5 0.959 4.060 -4.800
32 1HG1 VAL 5 HG13 VAL 5 -0.083 5.897 -7.077
33 2HG1 VAL 5 HG11 VAL 5 -0.670 5.900 -5.372
34 3HG1 VAL 5 HG12 VAL 5 1.005 6.422 -5.740
35 1HG2 VAL 5 HG22 VAL 5 -0.765 3.254 -7.210
36 2HG2 VAL 5 HG23 VAL 5 -0.254 2.270 -5.769
37 3HG2 VAL 5 HG21 VAL 5 -1.405 3.632 -5.567
38 H SER 6 HN SER 6 2.604 6.142 -5.730
39 HA SER 6 HA SER 6 5.339 5.201 -5.112
40 1HB SER 6 HB2 SER 6 5.983 7.660 -5.053
41 2HB SER 6 HB3 SER 6 5.672 6.914 -6.647
42 HG SER 6 HG SER 6 3.808 8.458 -5.172
43 H CYS 7 HN CYS 7 5.905 5.088 -3.091
44 HA CYS 7 HA CYS 7 4.370 6.542 -0.982
45 1HB CYS 7 HB2 CYS 7 3.224 4.574 -1.045
46 2HB CYS 7 HB3 CYS 7 4.654 3.554 -1.067
47 H THR 8 HN THR 8 5.500 6.970 0.850
48 HA THR 8 HA THR 8 8.376 6.387 0.993
49 HB THR 8 HB THR 8 8.697 8.697 2.021
50 HG1 THR 8 HG1 THR 8 6.237 9.123 0.662
51 1HG2 THR 8 HG23 THR 8 9.492 8.013 -0.265
52 2HG2 THR 8 HG21 THR 8 7.922 8.558 -0.967
53 3HG2 THR 8 HG22 THR 8 9.019 9.749 -0.182
54 H THR 9 HN THR 9 5.387 7.468 2.730
55 HA THR 9 HA THR 9 6.398 6.277 5.230
56 HB THR 9 HB THR 9 4.575 7.726 6.301
57 HG1 THR 9 HG1 THR 9 3.499 8.212 4.320
58 1HG2 THR 9 HG21 THR 9 7.020 8.210 6.371
59 2HG2 THR 9 HG22 THR 9 6.894 9.107 4.806
60 3HG2 THR 9 HG23 THR 9 6.024 9.713 6.270
61 H SER 10 HN SER 10 5.327 4.601 6.169
62 HA SER 10 HA SER 10 3.171 3.336 4.704
63 1HB SER 10 HB2 SER 10 3.569 1.398 6.273
64 2HB SER 10 HB3 SER 10 4.954 1.871 5.240
65 HG SER 10 HG SER 10 4.591 2.642 7.939
66 H LYS 11 HN LYS 11 1.692 5.041 5.119
67 HA LYS 11 HA LYS 11 -0.243 4.410 6.955
68 1HB LYS 11 HB2 LYS 11 1.308 5.685 8.606
69 2HB LYS 11 HB3 LYS 11 0.908 7.166 7.694
70 1HG LYS 11 HG2 LYS 11 -1.574 6.696 8.190
71 2HG LYS 11 HG3 LYS 11 -1.063 5.195 9.040
72 1HD LYS 11 HD2 LYS 11 0.277 6.623 10.650
73 2HD LYS 11 HD3 LYS 11 -0.397 8.094 9.838
74 1HE LYS 11 HE2 LYS 11 -2.740 7.294 10.435
75 2HE LYS 11 HE3 LYS 11 -1.993 5.882 11.309
76 1HZ LYS 11 HZ3 LYS 11 -0.842 7.463 12.718
77 2HZ LYS 11 HZ1 LYS 11 -1.596 8.761 11.919
78 3HZ LYS 11 HZ2 LYS 11 -2.530 7.648 12.801
79 H GLU 12 HN GLU 12 1.360 6.823 4.818
80 HA GLU 12 HA GLU 12 -0.492 8.355 3.821
81 1HB GLU 12 HB2 GLU 12 2.048 8.061 3.546
82 2HB GLU 12 HB3 GLU 12 1.730 6.909 2.234
83 1HG GLU 12 HG2 GLU 12 0.481 8.824 1.013
84 2HG GLU 12 HG3 GLU 12 0.957 9.888 2.397
85 1HN ABA 13 HN ABA 13 0.163 5.038 2.651
86 HA ABA 13 HA ABA 13 -1.741 5.271 0.417
87 1HB ABA 13 HB3 ABA 13 0.561 5.016 -0.220
88 2HB ABA 13 HB2 ABA 13 -0.370 3.563 -0.646
89 1HG ABA 13 HG1 ABA 13 1.469 3.858 1.835
90 2HG ABA 13 HG2 ABA 13 0.681 2.319 1.282
91 3HG ABA 13 HG3 ABA 13 1.920 3.138 0.245
92 H TRP 14 HN TRP 14 -2.568 4.649 3.207
93 HA TRP 14 HA TRP 14 -3.313 1.863 3.202
94 1HB TRP 14 HB2 TRP 14 -3.704 4.159 5.194
95 2HB TRP 14 HB3 TRP 14 -4.446 2.546 5.434
96 HD1 TRP 14 HD1 TRP 14 -0.728 2.904 4.128
97 HE1 TRP 14 HE1 TRP 14 0.653 1.490 5.668
98 HE3 TRP 14 HE3 TRP 14 -4.272 1.954 7.710
99 HZ2 TRP 14 HZ2 TRP 14 0.370 0.138 8.150
100 HZ3 TRP 14 HZ3 TRP 14 -3.657 0.489 9.603
101 HH2 TRP 14 HH2 TRP 14 -1.386 -0.485 9.754
102 H SER 15 HN SER 15 -4.754 4.864 2.064
103 HA SER 15 HA SER 15 -7.446 3.829 1.943
104 1HB SER 15 HB2 SER 15 -7.963 6.100 0.971
105 2HB SER 15 HB3 SER 15 -7.270 6.125 2.619
106 HG SER 15 HG SER 15 -6.346 7.661 1.232
107 H VAL 16 HN VAL 16 -4.610 3.321 0.293
108 HA VAL 16 HA VAL 16 -5.749 3.204 -2.397
109 HB VAL 16 HB VAL 16 -2.893 2.610 -1.458
110 1HG1 VAL 16 HG11 VAL 16 -4.095 3.104 -4.275
111 2HG1 VAL 16 HG12 VAL 16 -2.354 2.858 -3.877
112 3HG1 VAL 16 HG13 VAL 16 -3.511 1.513 -3.653
113 1HG2 VAL 16 HG23 VAL 16 -4.168 5.154 -2.664
114 2HG2 VAL 16 HG21 VAL 16 -3.501 4.986 -0.994
115 3HG2 VAL 16 HG22 VAL 16 -2.403 4.881 -2.413
116 H CYS 17 HN CYS 17 -4.449 1.086 0.245
117 HA CYS 17 HA CYS 17 -5.005 -1.384 -0.924
118 1HB CYS 17 HB2 CYS 17 -4.510 -0.281 1.880
119 2HB CYS 17 HB3 CYS 17 -5.075 -1.965 1.782
120 H GLN 18 HN GLN 18 -7.180 0.955 0.536
121 HA GLN 18 HA GLN 18 -9.241 -0.861 1.314
122 1HB GLN 18 HB2 GLN 18 -8.402 1.320 2.408
123 2HB GLN 18 HB3 GLN 18 -9.309 2.228 1.179
124 1HG GLN 18 HG2 GLN 18 -10.403 0.101 3.114
125 2HG GLN 18 HG3 GLN 18 -10.418 1.886 3.425
126 1HE2 GLN 18 HE22 GLN 18 -13.013 2.563 0.915
127 2HE2 GLN 18 HE21 GLN 18 -11.483 3.181 1.451
128 H ARG 19 HN ARG 19 -8.821 1.742 -1.049
129 HA ARG 19 HA ARG 19 -11.288 1.517 -2.371
130 1HB ARG 19 HB2 ARG 19 -8.688 2.978 -3.016
131 2HB ARG 19 HB3 ARG 19 -10.138 3.171 -4.055
132 1HG ARG 19 HG2 ARG 19 -10.529 3.627 -1.087
133 2HG ARG 19 HG3 ARG 19 -9.558 4.820 -2.004
134 1HD ARG 19 HD2 ARG 19 -11.906 5.552 -1.947
135 2HD ARG 19 HD3 ARG 19 -11.380 5.179 -3.640
136 HE ARG 19 HE ARG 19 -12.857 3.136 -1.925
137 1HH1 ARG 19 HH22 ARG 19 -12.724 5.028 -4.961
138 2HH1 ARG 19 HH21 ARG 19 -14.118 4.255 -5.643
139 1HH2 ARG 19 HH12 ARG 19 -14.714 2.144 -2.854
140 2HH2 ARG 19 HH11 ARG 19 -15.258 2.601 -4.436
141 H LEU 20 HN LEU 20 -8.199 -0.149 -3.036
142 HA LEU 20 HA LEU 20 -8.908 -0.962 -5.691
143 1HB LEU 20 HB2 LEU 20 -6.629 -0.244 -4.617
144 2HB LEU 20 HB3 LEU 20 -6.550 -1.879 -3.945
145 HG LEU 20 HG LEU 20 -5.240 -1.784 -5.815
146 1HD1 LEU 20 HD13 LEU 20 -6.649 -3.883 -5.903
147 2HD1 LEU 20 HD11 LEU 20 -7.753 -3.058 -7.067
148 3HD1 LEU 20 HD12 LEU 20 -6.042 -3.373 -7.519
149 1HD2 LEU 20 HD22 LEU 20 -6.057 0.353 -6.804
150 2HD2 LEU 20 HD23 LEU 20 -5.835 -0.897 -8.086
151 3HD2 LEU 20 HD21 LEU 20 -7.489 -0.491 -7.500
152 H HIS 21 HN HIS 21 -8.198 -2.543 -2.495
153 HA HIS 21 HA HIS 21 -9.672 -4.946 -3.304
154 1HB HIS 21 HB2 HIS 21 -7.560 -4.514 -1.106
155 2HB HIS 21 HB3 HIS 21 -8.380 -6.075 -1.490
156 HD1 HIS 21 HD1 HIS 21 -7.729 -7.078 -3.956
157 HD2 HIS 21 HD2 HIS 21 -5.425 -3.807 -2.690
158 HE1 HIS 21 HE1 HIS 21 -5.634 -6.964 -5.414
159 H ASN 22 HN ASN 22 -9.079 -4.539 0.015
160 HA ASN 22 HA ASN 22 -11.070 -2.943 0.976
161 1HB ASN 22 HB2 ASN 22 -12.820 -4.699 1.795
162 2HB ASN 22 HB3 ASN 22 -12.922 -4.148 0.110
163 1HD2 ASN 22 HD22 ASN 22 -12.809 -7.366 -1.265
164 2HD2 ASN 22 HD21 ASN 22 -13.254 -5.694 -1.396
165 H THR 23 HN THR 23 -8.679 -2.947 1.888
166 HA THR 23 HA THR 23 -8.828 -4.343 4.418
167 HB THR 23 HB THR 23 -7.647 -5.900 2.796
168 HG1 THR 23 HG1 THR 23 -7.467 -5.999 5.022
169 1HG2 THR 23 HG21 THR 23 -6.262 -4.204 1.550
170 2HG2 THR 23 HG22 THR 23 -5.322 -3.874 3.061
171 3HG2 THR 23 HG23 THR 23 -5.259 -5.493 2.316
172 H SER 24 HN SER 24 -6.548 -3.606 5.595
173 HA SER 24 HA SER 24 -6.077 -0.780 5.198
174 1HB SER 24 HB2 SER 24 -7.259 -1.902 7.835
175 2HB SER 24 HB3 SER 24 -6.599 -0.233 7.610
176 HG SER 24 HG SER 24 -8.197 0.113 6.079
177 H ARG 25 HN ARG 25 -4.832 -3.625 5.083
178 HA ARG 25 HA ARG 25 -2.509 -3.058 6.825
179 1HB ARG 25 HB2 ARG 25 -3.392 -5.768 5.662
180 2HB ARG 25 HB3 ARG 25 -1.829 -5.426 6.474
181 1HG ARG 25 HG2 ARG 25 -2.985 -6.426 8.157
182 2HG ARG 25 HG3 ARG 25 -3.208 -4.684 8.539
183 1HD ARG 25 HD2 ARG 25 -5.331 -5.915 8.915
184 2HD ARG 25 HD3 ARG 25 -5.535 -4.808 7.514
185 HE ARG 25 HE ARG 25 -5.435 -6.647 5.970
186 1HH1 ARG 25 HH12 ARG 25 -5.265 -7.818 9.349
187 2HH1 ARG 25 HH11 ARG 25 -5.622 -9.463 8.923
188 1HH2 ARG 25 HH22 ARG 25 -5.904 -8.832 5.441
189 2HH2 ARG 25 HH21 ARG 25 -5.990 -10.046 6.678
190 H GLY 26 HN GLY 26 -0.837 -2.320 5.785
191 1HA GLY 26 HA1 GLY 26 -0.104 -2.888 3.127
192 2HA GLY 26 HA2 GLY 26 -0.990 -1.302 3.300
193 H LYS 27 HN LYS 27 1.949 -2.178 2.871
194 HA LYS 27 HA LYS 27 3.102 -0.099 4.483
195 1HB LYS 27 HB2 LYS 27 3.603 -1.908 6.011
196 2HB LYS 27 HB3 LYS 27 3.980 -3.030 4.683
197 1HG LYS 27 HG2 LYS 27 6.050 -1.734 4.162
198 2HG LYS 27 HG3 LYS 27 5.668 -0.623 5.538
199 1HD LYS 27 HD2 LYS 27 7.302 -2.129 6.347
200 2HD LYS 27 HD3 LYS 27 5.752 -2.764 7.021
201 1HE LYS 27 HE2 LYS 27 5.711 -4.544 5.237
202 2HE LYS 27 HE3 LYS 27 7.198 -3.834 4.487
203 1HZ LYS 27 HZ3 LYS 27 8.369 -4.304 6.540
204 2HZ LYS 27 HZ1 LYS 27 6.974 -5.006 7.211
205 3HZ LYS 27 HZ2 LYS 27 7.711 -5.710 5.851
206 H CYS 28 HN CYS 28 5.154 0.501 3.350
207 HA CYS 28 HA CYS 28 5.190 -0.391 0.528
208 1HB CYS 28 HB2 CYS 28 5.671 1.955 -0.172
209 2HB CYS 28 HB3 CYS 28 4.065 1.743 0.568
210 H MET 29 HN MET 29 7.329 0.379 -0.520
211 HA MET 29 HA MET 29 9.342 -0.958 1.087
212 1HB MET 29 HB2 MET 29 8.320 -1.769 -1.154
213 2HB MET 29 HB3 MET 29 9.411 -0.606 -1.937
214 1HG MET 29 HG2 MET 29 11.352 -1.779 -0.703
215 2HG MET 29 HG3 MET 29 10.141 -2.873 0.038
216 1HE MET 29 HE2 MET 29 12.419 -4.247 -1.107
217 2HE MET 29 HE3 MET 29 10.910 -5.079 -0.591
218 3HE MET 29 HE1 MET 29 11.680 -5.508 -2.155
219 H ASN 30 HN ASN 30 10.947 0.405 -1.395
220 HA ASN 30 HA ASN 30 11.977 2.595 0.148
221 1HB ASN 30 HB2 ASN 30 13.666 2.800 -1.731
222 2HB ASN 30 HB3 ASN 30 13.644 1.262 -0.823
223 1HD2 ASN 30 HD22 ASN 30 13.088 1.219 -4.869
224 2HD2 ASN 30 HD21 ASN 30 13.368 2.688 -3.992
225 H LYS 31 HN LYS 31 10.057 2.223 -2.823
226 HA LYS 31 HA LYS 31 9.581 5.128 -2.917
227 1HB LYS 31 HB2 LYS 31 10.668 3.339 -5.159
228 2HB LYS 31 HB3 LYS 31 10.016 4.979 -5.457
229 1HG LYS 31 HG2 LYS 31 11.760 6.046 -4.158
230 2HG LYS 31 HG3 LYS 31 12.434 4.458 -3.662
231 1HD LYS 31 HD2 LYS 31 13.826 5.259 -5.399
232 2HD LYS 31 HD3 LYS 31 12.873 3.869 -6.040
233 1HE LYS 31 HE2 LYS 31 11.361 5.463 -7.273
234 2HE LYS 31 HE3 LYS 31 12.264 6.866 -6.569
235 1HZ LYS 31 HZ3 LYS 31 13.403 4.753 -8.323
236 2HZ LYS 31 HZ1 LYS 31 12.977 6.330 -8.792
237 3HZ LYS 31 HZ2 LYS 31 14.236 6.085 -7.678
238 H LYS 32 HN LYS 32 7.907 2.058 -2.859
239 HA LYS 32 HA LYS 32 5.824 3.199 -4.560
240 1HB LYS 32 HB2 LYS 32 5.573 1.429 -5.984
241 2HB LYS 32 HB3 LYS 32 7.288 1.917 -6.102
242 1HG LYS 32 HG2 LYS 32 7.904 -0.004 -4.525
243 2HG LYS 32 HG3 LYS 32 6.188 -0.560 -4.639
244 1HD LYS 32 HD2 LYS 32 6.420 -0.574 -7.141
245 2HD LYS 32 HD3 LYS 32 8.179 -0.277 -6.949
246 1HE LYS 32 HE2 LYS 32 6.581 -2.724 -5.876
247 2HE LYS 32 HE3 LYS 32 7.712 -2.724 -7.288
248 1HZ LYS 32 HZ2 LYS 32 8.443 -2.150 -4.459
249 2HZ LYS 32 HZ3 LYS 32 8.713 -3.597 -5.301
250 3HZ LYS 32 HZ1 LYS 32 9.503 -2.175 -5.787
251 1HN ABA 33 HN ABA 33 3.742 2.185 -4.303
252 HA ABA 33 HA ABA 33 3.219 1.504 -1.594
253 1HB ABA 33 HB3 ABA 33 1.459 1.862 -4.074
254 2HB ABA 33 HB2 ABA 33 1.888 3.088 -2.832
255 1HG ABA 33 HG1 ABA 33 0.790 1.684 -1.079
256 2HG ABA 33 HG2 ABA 33 -0.339 2.337 -2.337
257 3HG ABA 33 HG3 ABA 33 0.132 0.600 -2.332
258 H ARG 34 HN ARG 34 2.547 -0.504 -0.806
259 HA ARG 34 HA ARG 34 2.067 -2.717 -2.652
260 1HB ARG 34 HB2 ARG 34 4.542 -2.606 -1.691
261 2HB ARG 34 HB3 ARG 34 3.820 -3.181 -0.168
262 1HG ARG 34 HG2 ARG 34 2.927 -5.205 -1.403
263 2HG ARG 34 HG3 ARG 34 3.577 -4.518 -2.942
264 1HD ARG 34 HD2 ARG 34 5.906 -4.616 -1.984
265 2HD ARG 34 HD3 ARG 34 5.226 -5.390 -0.477
266 HE ARG 34 HE ARG 34 4.311 -6.864 -2.782
267 1HH1 ARG 34 HH12 ARG 34 7.313 -6.221 -0.981
268 2HH1 ARG 34 HH11 ARG 34 8.087 -7.705 -1.450
269 1HH2 ARG 34 HH22 ARG 34 5.360 -8.856 -3.414
270 2HH2 ARG 34 HH21 ARG 34 6.962 -9.213 -2.846
271 H CYS 35 HN CYS 35 1.145 -4.611 -1.070
272 HA CYS 35 HA CYS 35 -0.536 -3.492 0.981
273 1HB CYS 35 HB2 CYS 35 -1.677 -3.293 -1.438
274 2HB CYS 35 HB3 CYS 35 -1.924 -5.047 -1.292
275 H TYR 36 HN TYR 36 -1.375 -5.175 2.274
276 HA TYR 36 HA TYR 36 0.128 -7.704 2.167
277 1HB TYR 36 HB2 TYR 36 0.415 -5.318 4.069
278 2HB TYR 36 HB3 TYR 36 0.768 -6.969 4.729
279 HD1 TYR 36 HD2 TYR 36 2.226 -8.345 2.629
280 HD2 TYR 36 HD1 TYR 36 2.390 -4.214 3.799
281 HE1 TYR 36 HE2 TYR 36 4.554 -8.195 1.818
282 HE2 TYR 36 HE1 TYR 36 4.664 -4.043 2.975
283 HH TYR 36 HH TYR 36 6.388 -6.901 1.597
284 H SER 37 HN SER 37 -2.326 -8.002 1.593
285 HA SER 37 HA SER 37 -4.057 -8.078 3.912
286 1HB SER 37 HB2 SER 37 -4.928 -7.515 1.611
287 2HB SER 37 HB3 SER 37 -4.526 -9.185 1.084
288 HG SER 37 HG SER 37 -6.249 -8.430 3.219
No H/Q in entry = 288
Start of MODEL 2
1 HA PCA 1 HA PGL 1 -3.978 -7.668 -7.078
2 1HB PCA 1 HB2 PGL 1 -2.286 -9.697 -6.022
3 2HB PCA 1 HB3 PGL 1 -3.589 -9.945 -7.226
4 1HG PCA 1 HG2 PGL 1 -0.596 -9.672 -7.771
5 2HG PCA 1 HG3 PGL 1 -1.818 -10.778 -8.548
6 HN PCA 1 HN PGL 1 -2.855 -6.799 -9.027
7 H PHE 2 HN PHE 2 -1.218 -6.028 -7.774
8 HA PHE 2 HA PHE 2 -0.677 -5.147 -5.022
9 1HB PHE 2 HB2 PHE 2 1.300 -5.850 -7.300
10 2HB PHE 2 HB3 PHE 2 1.772 -4.769 -5.940
11 HD1 PHE 2 HD1 PHE 2 1.511 -5.586 -3.559
12 HD2 PHE 2 HD2 PHE 2 1.370 -8.217 -6.956
13 HE1 PHE 2 HE1 PHE 2 2.055 -7.505 -2.096
14 HE2 PHE 2 HE2 PHE 2 1.904 -10.137 -5.488
15 HZ PHE 2 HZ PHE 2 2.249 -9.783 -3.056
16 H THR 3 HN THR 3 0.216 -2.924 -5.035
17 HA THR 3 HA THR 3 -1.184 -1.225 -6.942
18 HB THR 3 HB THR 3 -0.666 0.500 -5.065
19 HG1 THR 3 HG1 THR 3 0.109 -0.229 -3.281
20 1HG2 THR 3 HG22 THR 3 -2.494 -1.957 -4.601
21 2HG2 THR 3 HG23 THR 3 -2.557 -0.454 -3.622
22 3HG2 THR 3 HG21 THR 3 -2.908 -0.387 -5.392
23 H ASN 4 HN ASN 4 -0.079 0.423 -8.075
24 HA ASN 4 HA ASN 4 2.862 0.447 -7.957
25 1HB ASN 4 HB2 ASN 4 2.930 0.703 -10.447
26 2HB ASN 4 HB3 ASN 4 2.388 -0.905 -9.896
27 1HD2 ASN 4 HD22 ASN 4 0.004 1.300 -12.378
28 2HD2 ASN 4 HD21 ASN 4 1.587 1.813 -11.893
29 H VAL 5 HN VAL 5 1.417 1.963 -6.379
30 HA VAL 5 HA VAL 5 1.378 4.701 -7.437
31 HB VAL 5 HB VAL 5 0.343 3.256 -4.936
32 1HG1 VAL 5 HG12 VAL 5 0.489 6.311 -5.369
33 2HG1 VAL 5 HG13 VAL 5 -0.562 5.484 -4.156
34 3HG1 VAL 5 HG11 VAL 5 1.221 5.339 -4.022
35 1HG2 VAL 5 HG21 VAL 5 -1.067 3.093 -6.968
36 2HG2 VAL 5 HG22 VAL 5 -1.852 4.148 -5.742
37 3HG2 VAL 5 HG23 VAL 5 -1.031 4.888 -7.167
38 H SER 6 HN SER 6 2.786 6.274 -6.129
39 HA SER 6 HA SER 6 5.283 4.997 -5.287
40 1HB SER 6 HB2 SER 6 6.247 7.339 -5.407
41 2HB SER 6 HB3 SER 6 5.709 6.598 -6.939
42 HG SER 6 HG SER 6 4.207 8.433 -5.385
43 H CYS 7 HN CYS 7 6.105 5.108 -3.263
44 HA CYS 7 HA CYS 7 4.463 6.482 -1.167
45 1HB CYS 7 HB2 CYS 7 3.514 4.402 -1.194
46 2HB CYS 7 HB3 CYS 7 5.040 3.532 -1.197
47 H THR 8 HN THR 8 5.493 7.114 0.579
48 HA THR 8 HA THR 8 8.378 6.723 0.912
49 HB THR 8 HB THR 8 8.514 9.098 1.830
50 HG1 THR 8 HG1 THR 8 6.245 9.444 1.870
51 1HG2 THR 8 HG21 THR 8 9.496 8.362 -0.357
52 2HG2 THR 8 HG22 THR 8 7.950 8.762 -1.193
53 3HG2 THR 8 HG23 THR 8 8.912 10.064 -0.405
54 H THR 9 HN THR 9 5.165 7.595 2.361
55 HA THR 9 HA THR 9 6.178 6.898 5.034
56 HB THR 9 HB THR 9 4.111 8.190 5.806
57 HG1 THR 9 HG1 THR 9 3.078 8.190 3.752
58 1HG2 THR 9 HG22 THR 9 6.454 9.062 5.875
59 2HG2 THR 9 HG23 THR 9 6.280 9.687 4.190
60 3HG2 THR 9 HG21 THR 9 5.254 10.358 5.514
61 H SER 10 HN SER 10 5.256 5.336 6.273
62 HA SER 10 HA SER 10 3.119 3.675 5.177
63 1HB SER 10 HB2 SER 10 3.584 2.150 7.116
64 2HB SER 10 HB3 SER 10 4.918 2.358 5.943
65 HG SER 10 HG SER 10 4.685 3.707 8.421
66 H LYS 11 HN LYS 11 1.463 5.070 5.242
67 HA LYS 11 HA LYS 11 -0.154 5.510 7.458
68 1HB LYS 11 HB2 LYS 11 1.480 7.251 8.182
69 2HB LYS 11 HB3 LYS 11 1.542 7.936 6.530
70 1HG LYS 11 HG2 LYS 11 -0.826 8.704 6.752
71 2HG LYS 11 HG3 LYS 11 -0.938 7.932 8.374
72 1HD LYS 11 HD2 LYS 11 0.786 9.458 9.256
73 2HD LYS 11 HD3 LYS 11 1.063 10.161 7.626
74 1HE LYS 11 HE2 LYS 11 -1.610 10.338 9.189
75 2HE LYS 11 HE3 LYS 11 -0.358 11.643 9.105
76 1HZ LYS 11 HZ2 LYS 11 -0.657 11.714 6.729
77 2HZ LYS 11 HZ3 LYS 11 -1.829 10.487 6.795
78 3HZ LYS 11 HZ1 LYS 11 -2.125 11.985 7.538
79 H GLU 12 HN GLU 12 1.181 6.693 4.370
80 HA GLU 12 HA GLU 12 -0.919 7.720 3.073
81 1HB GLU 12 HB2 GLU 12 1.715 7.588 2.807
82 2HB GLU 12 HB3 GLU 12 1.415 6.228 1.720
83 1HG GLU 12 HG2 GLU 12 -0.184 7.919 0.418
84 2HG GLU 12 HG3 GLU 12 0.554 9.174 1.495
85 1HN ABA 13 HN ABA 13 0.035 4.325 3.243
86 HA ABA 13 HA ABA 13 -1.151 3.562 0.735
87 1HB ABA 13 HB3 ABA 13 0.127 1.511 1.007
88 2HB ABA 13 HB2 ABA 13 0.439 1.880 2.749
89 1HG ABA 13 HG1 ABA 13 1.499 3.575 0.376
90 2HG ABA 13 HG2 ABA 13 1.834 3.833 2.129
91 3HG ABA 13 HG3 ABA 13 2.390 2.332 1.319
92 H TRP 14 HN TRP 14 -2.504 3.834 3.718
93 HA TRP 14 HA TRP 14 -4.027 1.411 3.938
94 1HB TRP 14 HB2 TRP 14 -3.730 4.074 5.388
95 2HB TRP 14 HB3 TRP 14 -5.227 3.128 5.702
96 HD1 TRP 14 HD1 TRP 14 -5.192 1.188 7.244
97 HE1 TRP 14 HE1 TRP 14 -3.445 -0.230 8.392
98 HE3 TRP 14 HE3 TRP 14 -1.013 3.261 5.178
99 HZ2 TRP 14 HZ2 TRP 14 -0.587 -0.286 8.678
100 HZ3 TRP 14 HZ3 TRP 14 1.189 2.364 5.810
101 HH2 TRP 14 HH2 TRP 14 1.411 0.676 7.591
102 H SER 15 HN SER 15 -4.509 4.599 2.385
103 HA SER 15 HA SER 15 -7.301 4.075 1.822
104 1HB SER 15 HB2 SER 15 -7.213 6.365 0.751
105 2HB SER 15 HB3 SER 15 -6.812 6.329 2.497
106 HG SER 15 HG SER 15 -4.922 6.363 0.391
107 H VAL 16 HN VAL 16 -4.250 3.195 0.506
108 HA VAL 16 HA VAL 16 -5.240 3.106 -2.256
109 HB VAL 16 HB VAL 16 -2.443 2.442 -1.180
110 1HG1 VAL 16 HG11 VAL 16 -3.537 3.139 -3.999
111 2HG1 VAL 16 HG12 VAL 16 -1.804 2.862 -3.579
112 3HG1 VAL 16 HG13 VAL 16 -2.982 1.514 -3.457
113 1HG2 VAL 16 HG22 VAL 16 -3.575 5.112 -2.239
114 2HG2 VAL 16 HG23 VAL 16 -2.938 4.790 -0.580
115 3HG2 VAL 16 HG21 VAL 16 -1.829 4.743 -1.988
116 H CYS 17 HN CYS 17 -4.599 0.978 0.585
117 HA CYS 17 HA CYS 17 -4.981 -1.409 -0.979
118 1HB CYS 17 HB2 CYS 17 -4.561 -0.719 1.957
119 2HB CYS 17 HB3 CYS 17 -5.155 -2.350 1.549
120 H GLN 18 HN GLN 18 -7.070 0.960 0.597
121 HA GLN 18 HA GLN 18 -9.254 -0.808 1.085
122 1HB GLN 18 HB2 GLN 18 -8.435 0.988 2.609
123 2HB GLN 18 HB3 GLN 18 -8.962 2.231 1.427
124 1HG GLN 18 HG2 GLN 18 -11.330 1.409 1.687
125 2HG GLN 18 HG3 GLN 18 -10.725 0.083 2.767
126 1HE2 GLN 18 HE22 GLN 18 -11.977 2.634 5.125
127 2HE2 GLN 18 HE21 GLN 18 -12.575 1.431 4.029
128 H ARG 19 HN ARG 19 -8.318 1.715 -1.294
129 HA ARG 19 HA ARG 19 -10.915 1.863 -2.529
130 1HB ARG 19 HB2 ARG 19 -8.201 3.121 -3.161
131 2HB ARG 19 HB3 ARG 19 -9.680 3.486 -4.121
132 1HG ARG 19 HG2 ARG 19 -9.699 3.933 -1.095
133 2HG ARG 19 HG3 ARG 19 -8.861 5.067 -2.200
134 1HD ARG 19 HD2 ARG 19 -11.080 5.902 -1.727
135 2HD ARG 19 HD3 ARG 19 -10.906 5.477 -3.491
136 HE ARG 19 HE ARG 19 -11.983 3.161 -2.366
137 1HH1 ARG 19 HH12 ARG 19 -13.009 6.587 -2.369
138 2HH1 ARG 19 HH11 ARG 19 -14.701 6.213 -2.344
139 1HH2 ARG 19 HH22 ARG 19 -14.254 2.686 -2.340
140 2HH2 ARG 19 HH21 ARG 19 -15.418 3.969 -2.329
141 H LEU 20 HN LEU 20 -8.037 -0.052 -2.986
142 HA LEU 20 HA LEU 20 -8.599 -0.811 -5.736
143 1HB LEU 20 HB2 LEU 20 -6.369 -1.061 -3.733
144 2HB LEU 20 HB3 LEU 20 -6.498 -2.430 -4.885
145 HG LEU 20 HG LEU 20 -4.915 -0.788 -5.540
146 1HD1 LEU 20 HD13 LEU 20 -5.992 -2.246 -7.236
147 2HD1 LEU 20 HD11 LEU 20 -7.244 -0.986 -7.551
148 3HD1 LEU 20 HD12 LEU 20 -5.517 -0.660 -7.949
149 1HD2 LEU 20 HD22 LEU 20 -5.994 1.345 -4.758
150 2HD2 LEU 20 HD23 LEU 20 -5.453 1.435 -6.473
151 3HD2 LEU 20 HD21 LEU 20 -7.199 1.213 -6.092
152 H HIS 21 HN HIS 21 -7.988 -2.490 -2.605
153 HA HIS 21 HA HIS 21 -9.766 -4.686 -3.377
154 1HB HIS 21 HB2 HIS 21 -7.613 -4.504 -1.193
155 2HB HIS 21 HB3 HIS 21 -8.558 -5.974 -1.650
156 HD1 HIS 21 HD1 HIS 21 -8.001 -6.853 -4.211
157 HD2 HIS 21 HD2 HIS 21 -5.413 -3.912 -2.712
158 HE1 HIS 21 HE1 HIS 21 -5.917 -6.799 -5.691
159 H ASN 22 HN ASN 22 -9.118 -4.420 -0.086
160 HA ASN 22 HA ASN 22 -11.017 -2.715 0.931
161 1HB ASN 22 HB2 ASN 22 -12.854 -4.424 1.712
162 2HB ASN 22 HB3 ASN 22 -12.932 -3.772 0.066
163 1HD2 ASN 22 HD22 ASN 22 -12.070 -7.829 0.543
164 2HD2 ASN 22 HD21 ASN 22 -11.735 -6.734 1.845
165 H THR 23 HN THR 23 -8.611 -2.891 1.829
166 HA THR 23 HA THR 23 -8.835 -4.356 4.315
167 HB THR 23 HB THR 23 -7.776 -5.895 2.527
168 HG1 THR 23 HG1 THR 23 -7.798 -6.226 4.734
169 1HG2 THR 23 HG22 THR 23 -6.116 -4.239 1.592
170 2HG2 THR 23 HG23 THR 23 -5.267 -4.233 3.198
171 3HG2 THR 23 HG21 THR 23 -5.348 -5.737 2.235
172 H SER 24 HN SER 24 -6.568 -3.829 5.539
173 HA SER 24 HA SER 24 -5.993 -0.999 5.321
174 1HB SER 24 HB2 SER 24 -6.705 -0.494 7.683
175 2HB SER 24 HB3 SER 24 -8.054 -0.761 6.539
176 HG SER 24 HG SER 24 -8.360 -1.806 8.503
177 H ARG 25 HN ARG 25 -4.541 -3.519 4.900
178 HA ARG 25 HA ARG 25 -2.359 -2.941 6.719
179 1HB ARG 25 HB2 ARG 25 -1.859 -5.591 6.536
180 2HB ARG 25 HB3 ARG 25 -2.689 -4.850 7.915
181 1HG ARG 25 HG2 ARG 25 -4.447 -5.794 5.644
182 2HG ARG 25 HG3 ARG 25 -3.656 -7.032 6.662
183 1HD ARG 25 HD2 ARG 25 -4.834 -6.542 8.590
184 2HD ARG 25 HD3 ARG 25 -4.963 -4.775 8.203
185 HE ARG 25 HE ARG 25 -6.499 -6.082 6.237
186 1HH1 ARG 25 HH12 ARG 25 -6.572 -5.607 9.783
187 2HH1 ARG 25 HH11 ARG 25 -8.302 -5.587 9.879
188 1HH2 ARG 25 HH22 ARG 25 -8.823 -6.110 6.400
189 2HH2 ARG 25 HH21 ARG 25 -9.597 -5.877 7.933
190 H GLY 26 HN GLY 26 -0.853 -2.342 5.515
191 1HA GLY 26 HA1 GLY 26 0.247 -3.352 3.257
192 2HA GLY 26 HA2 GLY 26 -1.072 -2.228 2.715
193 H LYS 27 HN LYS 27 2.114 -2.234 3.033
194 HA LYS 27 HA LYS 27 2.409 0.455 4.160
195 1HB LYS 27 HB2 LYS 27 4.423 -1.887 4.377
196 2HB LYS 27 HB3 LYS 27 4.602 -0.224 5.057
197 1HG LYS 27 HG2 LYS 27 2.620 -0.690 6.538
198 2HG LYS 27 HG3 LYS 27 2.576 -2.376 5.911
199 1HD LYS 27 HD2 LYS 27 4.933 -2.717 6.718
200 2HD LYS 27 HD3 LYS 27 4.915 -1.068 7.434
201 1HE LYS 27 HE2 LYS 27 3.018 -3.402 8.197
202 2HE LYS 27 HE3 LYS 27 4.441 -2.833 9.160
203 1HZ LYS 27 HZ3 LYS 27 2.030 -1.227 8.489
204 2HZ LYS 27 HZ1 LYS 27 2.373 -1.963 9.982
205 3HZ LYS 27 HZ2 LYS 27 3.362 -0.707 9.407
206 H CYS 28 HN CYS 28 5.335 0.059 3.254
207 HA CYS 28 HA CYS 28 5.162 -0.489 0.434
208 1HB CYS 28 HB2 CYS 28 5.936 1.792 -0.326
209 2HB CYS 28 HB3 CYS 28 4.302 1.755 0.353
210 H MET 29 HN MET 29 7.393 0.087 -0.594
211 HA MET 29 HA MET 29 9.400 -1.165 1.076
212 1HB MET 29 HB2 MET 29 8.522 -2.071 -1.171
213 2HB MET 29 HB3 MET 29 9.462 -0.781 -1.954
214 1HG MET 29 HG2 MET 29 11.520 -1.733 -0.678
215 2HG MET 29 HG3 MET 29 10.437 -3.027 -0.067
216 1HE MET 29 HE3 MET 29 13.200 -3.413 -1.521
217 2HE MET 29 HE1 MET 29 12.166 -4.743 -0.891
218 3HE MET 29 HE2 MET 29 12.833 -4.836 -2.557
219 H ASN 30 HN ASN 30 11.012 0.287 -1.385
220 HA ASN 30 HA ASN 30 11.884 2.528 0.197
221 1HB ASN 30 HB2 ASN 30 13.666 2.853 -1.428
222 2HB ASN 30 HB3 ASN 30 13.583 1.173 -0.822
223 1HD2 ASN 30 HD22 ASN 30 13.494 1.862 -4.826
224 2HD2 ASN 30 HD21 ASN 30 13.851 3.073 -3.638
225 H LYS 31 HN LYS 31 10.059 2.089 -2.807
226 HA LYS 31 HA LYS 31 9.459 4.959 -2.931
227 1HB LYS 31 HB2 LYS 31 10.898 3.273 -5.036
228 2HB LYS 31 HB3 LYS 31 10.022 4.743 -5.523
229 1HG LYS 31 HG2 LYS 31 12.315 4.639 -3.541
230 2HG LYS 31 HG3 LYS 31 12.417 5.162 -5.258
231 1HD LYS 31 HD2 LYS 31 10.759 6.599 -3.076
232 2HD LYS 31 HD3 LYS 31 12.450 6.979 -3.507
233 1HE LYS 31 HE2 LYS 31 11.115 8.609 -4.640
234 2HE LYS 31 HE3 LYS 31 11.706 7.464 -5.907
235 1HZ LYS 31 HZ1 LYS 31 9.545 6.386 -5.826
236 2HZ LYS 31 HZ2 LYS 31 9.007 7.489 -4.649
237 3HZ LYS 31 HZ3 LYS 31 9.416 8.038 -6.205
238 H LYS 32 HN LYS 32 7.958 1.816 -3.037
239 HA LYS 32 HA LYS 32 5.771 3.084 -4.462
240 1HB LYS 32 HB2 LYS 32 5.336 1.490 -6.031
241 2HB LYS 32 HB3 LYS 32 7.025 2.009 -6.276
242 1HG LYS 32 HG2 LYS 32 7.828 -0.038 -5.058
243 2HG LYS 32 HG3 LYS 32 6.117 -0.621 -4.937
244 1HD LYS 32 HD2 LYS 32 6.830 0.224 -7.658
245 2HD LYS 32 HD3 LYS 32 7.900 -1.100 -7.051
246 1HE LYS 32 HE2 LYS 32 5.887 -2.503 -6.492
247 2HE LYS 32 HE3 LYS 32 4.793 -1.191 -7.092
248 1HZ LYS 32 HZ3 LYS 32 6.824 -2.638 -8.712
249 2HZ LYS 32 HZ1 LYS 32 5.153 -2.934 -8.702
250 3HZ LYS 32 HZ2 LYS 32 5.746 -1.448 -9.268
251 1HN ABA 33 HN ABA 33 3.791 2.176 -4.059
252 HA ABA 33 HA ABA 33 3.367 1.308 -1.432
253 1HB ABA 33 HB3 ABA 33 1.499 1.779 -3.819
254 2HB ABA 33 HB2 ABA 33 2.094 3.011 -2.650
255 1HG ABA 33 HG1 ABA 33 -0.063 2.481 -1.856
256 2HG ABA 33 HG2 ABA 33 0.203 0.694 -1.975
257 3HG ABA 33 HG3 ABA 33 1.152 1.659 -0.790
258 H ARG 34 HN ARG 34 2.481 -0.616 -0.687
259 HA ARG 34 HA ARG 34 2.185 -2.864 -2.542
260 1HB ARG 34 HB2 ARG 34 4.571 -2.630 -1.456
261 2HB ARG 34 HB3 ARG 34 3.801 -3.162 0.062
262 1HG ARG 34 HG2 ARG 34 3.187 -5.316 -1.003
263 2HG ARG 34 HG3 ARG 34 3.593 -4.662 -2.634
264 1HD ARG 34 HD2 ARG 34 5.994 -4.471 -2.018
265 2HD ARG 34 HD3 ARG 34 5.633 -5.119 -0.360
266 HE ARG 34 HE ARG 34 4.573 -6.967 -2.294
267 1HH1 ARG 34 HH22 ARG 34 7.751 -5.757 -1.179
268 2HH1 ARG 34 HH21 ARG 34 8.604 -7.195 -1.634
269 1HH2 ARG 34 HH12 ARG 34 5.746 -8.889 -2.899
270 2HH2 ARG 34 HH11 ARG 34 7.452 -8.993 -2.621
271 H CYS 35 HN CYS 35 1.272 -4.778 -0.997
272 HA CYS 35 HA CYS 35 -0.546 -3.736 0.964
273 1HB CYS 35 HB2 CYS 35 -1.606 -3.573 -1.467
274 2HB CYS 35 HB3 CYS 35 -1.831 -5.332 -1.321
275 H TYR 36 HN TYR 36 -1.086 -5.260 2.365
276 HA TYR 36 HA TYR 36 0.478 -7.777 2.305
277 1HB TYR 36 HB2 TYR 36 0.596 -5.334 4.162
278 2HB TYR 36 HB3 TYR 36 1.109 -6.941 4.801
279 HD1 TYR 36 HD2 TYR 36 2.709 -8.206 2.812
280 HD2 TYR 36 HD1 TYR 36 2.423 -4.025 3.751
281 HE1 TYR 36 HE2 TYR 36 5.024 -7.869 2.030
282 HE2 TYR 36 HE1 TYR 36 4.725 -3.674 2.946
283 HH TYR 36 HH TYR 36 6.730 -6.420 1.780
284 H SER 37 HN SER 37 -1.839 -8.427 1.798
285 HA SER 37 HA SER 37 -3.769 -8.276 3.912
286 1HB SER 37 HB2 SER 37 -3.706 -9.969 1.348
287 2HB SER 37 HB3 SER 37 -5.117 -9.789 2.464
288 HG SER 37 HG SER 37 -5.041 -7.560 2.025
No H/Q in entry = 288
Start of MODEL 3
1 HA PCA 1 HA PGL 1 -3.804 -6.395 -3.098
2 1HB PCA 1 HB2 PGL 1 -2.407 -7.927 -1.132
3 2HB PCA 1 HB3 PGL 1 -4.179 -7.752 -1.315
4 1HG PCA 1 HG2 PGL 1 -2.442 -10.067 -2.255
5 2HG PCA 1 HG3 PGL 1 -4.145 -10.076 -1.606
6 HN PCA 1 HN PGL 1 -3.929 -7.816 -5.053
7 H PHE 2 HN PHE 2 -2.460 -5.920 -5.255
8 HA PHE 2 HA PHE 2 0.182 -5.178 -4.336
9 1HB PHE 2 HB2 PHE 2 -0.441 -6.740 -6.945
10 2HB PHE 2 HB3 PHE 2 1.016 -5.689 -6.772
11 HD1 PHE 2 HD1 PHE 2 2.517 -6.080 -4.691
12 HD2 PHE 2 HD2 PHE 2 -0.275 -8.985 -6.194
13 HE1 PHE 2 HE1 PHE 2 3.737 -7.870 -3.500
14 HE2 PHE 2 HE2 PHE 2 0.950 -10.773 -5.003
15 HZ PHE 2 HZ PHE 2 2.953 -10.220 -3.649
16 H THR 3 HN THR 3 0.547 -3.118 -4.826
17 HA THR 3 HA THR 3 -1.183 -1.687 -6.730
18 HB THR 3 HB THR 3 -0.666 0.325 -5.112
19 HG1 THR 3 HG1 THR 3 0.339 -0.220 -3.440
20 1HG2 THR 3 HG22 THR 3 -2.682 -1.908 -4.463
21 2HG2 THR 3 HG23 THR 3 -2.671 -0.296 -3.670
22 3HG2 THR 3 HG21 THR 3 -2.922 -0.414 -5.458
23 H ASN 4 HN ASN 4 0.032 0.248 -7.627
24 HA ASN 4 HA ASN 4 2.923 0.050 -7.561
25 1HB ASN 4 HB2 ASN 4 3.058 0.052 -10.068
26 2HB ASN 4 HB3 ASN 4 2.504 -1.490 -9.362
27 1HD2 ASN 4 HD22 ASN 4 0.456 -1.106 -12.355
28 2HD2 ASN 4 HD21 ASN 4 2.092 -1.440 -11.899
29 H VAL 5 HN VAL 5 1.626 1.838 -6.181
30 HA VAL 5 HA VAL 5 1.568 4.342 -7.712
31 HB VAL 5 HB VAL 5 1.014 4.189 -4.723
32 1HG1 VAL 5 HG12 VAL 5 -0.198 5.756 -7.114
33 2HG1 VAL 5 HG13 VAL 5 -0.651 5.947 -5.380
34 3HG1 VAL 5 HG11 VAL 5 0.988 6.421 -5.925
35 1HG2 VAL 5 HG23 VAL 5 -0.835 3.114 -6.935
36 2HG2 VAL 5 HG21 VAL 5 -0.214 2.276 -5.450
37 3HG2 VAL 5 HG22 VAL 5 -1.385 3.638 -5.307
38 H SER 6 HN SER 6 2.630 6.136 -5.895
39 HA SER 6 HA SER 6 5.367 5.183 -5.317
40 1HB SER 6 HB2 SER 6 6.018 7.646 -5.375
41 2HB SER 6 HB3 SER 6 5.616 6.858 -6.924
42 HG SER 6 HG SER 6 4.678 8.907 -6.680
43 H CYS 7 HN CYS 7 6.053 5.174 -3.315
44 HA CYS 7 HA CYS 7 4.439 6.553 -1.202
45 1HB CYS 7 HB2 CYS 7 3.543 4.424 -1.221
46 2HB CYS 7 HB3 CYS 7 5.096 3.600 -1.199
47 H THR 8 HN THR 8 5.493 7.160 0.573
48 HA THR 8 HA THR 8 8.383 6.768 0.863
49 HB THR 8 HB THR 8 8.521 9.105 1.871
50 HG1 THR 8 HG1 THR 8 7.006 10.557 1.050
51 1HG2 THR 8 HG23 THR 8 9.483 8.460 -0.355
52 2HG2 THR 8 HG21 THR 8 7.926 8.893 -1.156
53 3HG2 THR 8 HG22 THR 8 8.895 10.163 -0.325
54 H THR 9 HN THR 9 5.213 7.636 2.354
55 HA THR 9 HA THR 9 6.137 6.744 4.996
56 HB THR 9 HB THR 9 4.083 8.094 5.787
57 HG1 THR 9 HG1 THR 9 3.150 8.331 3.715
58 1HG2 THR 9 HG21 THR 9 6.455 8.800 6.057
59 2HG2 THR 9 HG22 THR 9 6.443 9.533 4.406
60 3HG2 THR 9 HG23 THR 9 5.375 10.196 5.705
61 H SER 10 HN SER 10 5.212 5.024 5.980
62 HA SER 10 HA SER 10 3.108 3.526 4.640
63 1HB SER 10 HB2 SER 10 4.819 2.813 7.092
64 2HB SER 10 HB3 SER 10 3.618 1.730 6.272
65 HG SER 10 HG SER 10 5.709 1.379 5.575
66 H LYS 11 HN LYS 11 1.471 5.007 4.949
67 HA LYS 11 HA LYS 11 -0.276 4.693 7.037
68 1HB LYS 11 HB2 LYS 11 1.250 6.222 8.368
69 2HB LYS 11 HB3 LYS 11 0.995 7.504 7.145
70 1HG LYS 11 HG2 LYS 11 -1.480 7.460 7.683
71 2HG LYS 11 HG3 LYS 11 -1.195 6.095 8.818
72 1HD LYS 11 HD2 LYS 11 0.246 7.593 10.224
73 2HD LYS 11 HD3 LYS 11 -0.080 8.954 9.086
74 1HE LYS 11 HE2 LYS 11 -2.557 8.761 9.588
75 2HE LYS 11 HE3 LYS 11 -2.204 7.419 10.749
76 1HZ LYS 11 HZ3 LYS 11 -0.862 8.954 12.022
77 2HZ LYS 11 HZ1 LYS 11 -1.209 10.213 10.935
78 3HZ LYS 11 HZ2 LYS 11 -2.458 9.511 11.851
79 H GLU 12 HN GLU 12 1.108 6.727 4.438
80 HA GLU 12 HA GLU 12 -1.101 7.753 3.229
81 1HB GLU 12 HB2 GLU 12 1.560 7.930 3.069
82 2HB GLU 12 HB3 GLU 12 1.404 6.881 1.667
83 1HG GLU 12 HG2 GLU 12 -0.101 9.566 2.071
84 2HG GLU 12 HG3 GLU 12 1.483 9.410 1.238
85 1HN ABA 13 HN ABA 13 0.083 4.487 3.161
86 HA ABA 13 HA ABA 13 -1.064 3.715 0.616
87 1HB ABA 13 HB3 ABA 13 0.152 1.633 0.913
88 2HB ABA 13 HB2 ABA 13 0.431 1.972 2.663
89 1HG ABA 13 HG1 ABA 13 1.914 3.857 2.115
90 2HG ABA 13 HG2 ABA 13 2.434 2.340 1.297
91 3HG ABA 13 HG3 ABA 13 1.617 3.634 0.348
92 H TRP 14 HN TRP 14 -2.273 3.921 3.751
93 HA TRP 14 HA TRP 14 -3.689 1.450 3.910
94 1HB TRP 14 HB2 TRP 14 -3.756 4.005 5.636
95 2HB TRP 14 HB3 TRP 14 -4.700 2.522 6.026
96 HD1 TRP 14 HD1 TRP 14 -0.856 3.000 5.134
97 HE1 TRP 14 HE1 TRP 14 0.361 1.245 6.429
98 HE3 TRP 14 HE3 TRP 14 -4.743 1.290 7.992
99 HZ2 TRP 14 HZ2 TRP 14 -0.142 -0.597 8.550
100 HZ3 TRP 14 HZ3 TRP 14 -4.319 -0.579 9.556
101 HH2 TRP 14 HH2 TRP 14 -2.055 -1.562 9.758
102 H SER 15 HN SER 15 -4.382 4.660 2.610
103 HA SER 15 HA SER 15 -7.213 4.191 2.274
104 1HB SER 15 HB2 SER 15 -7.165 6.517 1.267
105 2HB SER 15 HB3 SER 15 -6.636 6.420 2.976
106 HG SER 15 HG SER 15 -4.915 6.499 0.731
107 H VAL 16 HN VAL 16 -4.326 3.236 0.724
108 HA VAL 16 HA VAL 16 -5.456 3.295 -1.980
109 HB VAL 16 HB VAL 16 -2.661 2.432 -1.068
110 1HG1 VAL 16 HG12 VAL 16 -3.807 3.263 -3.830
111 2HG1 VAL 16 HG13 VAL 16 -2.098 2.814 -3.459
112 3HG1 VAL 16 HG11 VAL 16 -3.390 1.579 -3.354
113 1HG2 VAL 16 HG22 VAL 16 -3.685 5.176 -2.056
114 2HG2 VAL 16 HG23 VAL 16 -3.012 4.803 -0.425
115 3HG2 VAL 16 HG21 VAL 16 -1.955 4.705 -1.871
116 H CYS 17 HN CYS 17 -4.529 1.000 0.664
117 HA CYS 17 HA CYS 17 -5.102 -1.352 -0.793
118 1HB CYS 17 HB2 CYS 17 -4.655 -0.598 2.127
119 2HB CYS 17 HB3 CYS 17 -5.202 -2.254 1.741
120 H GLN 18 HN GLN 18 -7.198 0.978 0.739
121 HA GLN 18 HA GLN 18 -9.379 -0.809 1.263
122 1HB GLN 18 HB2 GLN 18 -8.484 1.217 2.604
123 2HB GLN 18 HB3 GLN 18 -9.348 2.275 1.471
124 1HG GLN 18 HG2 GLN 18 -10.707 -0.115 2.831
125 2HG GLN 18 HG3 GLN 18 -10.344 1.370 3.791
126 1HE2 GLN 18 HE22 GLN 18 -13.105 3.236 2.627
127 2HE2 GLN 18 HE21 GLN 18 -11.718 3.133 3.660
128 H ARG 19 HN ARG 19 -8.637 1.952 -0.773
129 HA ARG 19 HA ARG 19 -10.879 2.115 -2.405
130 1HB ARG 19 HB2 ARG 19 -8.001 3.087 -2.655
131 2HB ARG 19 HB3 ARG 19 -9.173 3.466 -3.957
132 1HG ARG 19 HG2 ARG 19 -9.647 4.198 -1.018
133 2HG ARG 19 HG3 ARG 19 -8.835 5.268 -2.208
134 1HD ARG 19 HD2 ARG 19 -11.711 4.178 -2.492
135 2HD ARG 19 HD3 ARG 19 -11.247 5.846 -1.928
136 HE ARG 19 HE ARG 19 -9.896 5.608 -4.344
137 1HH1 ARG 19 HH12 ARG 19 -13.334 5.180 -3.454
138 2HH1 ARG 19 HH11 ARG 19 -13.927 5.653 -5.013
139 1HH2 ARG 19 HH22 ARG 19 -10.713 6.236 -6.416
140 2HH2 ARG 19 HH21 ARG 19 -12.419 6.260 -6.717
141 H LEU 20 HN LEU 20 -8.035 0.010 -2.812
142 HA LEU 20 HA LEU 20 -8.634 -0.648 -5.565
143 1HB LEU 20 HB2 LEU 20 -6.373 -0.819 -3.706
144 2HB LEU 20 HB3 LEU 20 -6.597 -2.411 -4.462
145 HG LEU 20 HG LEU 20 -5.017 -1.153 -5.621
146 1HD1 LEU 20 HD13 LEU 20 -6.415 -2.745 -6.921
147 2HD1 LEU 20 HD11 LEU 20 -7.536 -1.413 -7.389
148 3HD1 LEU 20 HD12 LEU 20 -5.827 -1.390 -7.954
149 1HD2 LEU 20 HD23 LEU 20 -5.753 1.177 -5.141
150 2HD2 LEU 20 HD21 LEU 20 -5.447 0.935 -6.901
151 3HD2 LEU 20 HD22 LEU 20 -7.139 0.996 -6.282
152 H HIS 21 HN HIS 21 -8.089 -2.564 -2.572
153 HA HIS 21 HA HIS 21 -9.911 -4.653 -3.513
154 1HB HIS 21 HB2 HIS 21 -7.681 -4.690 -1.401
155 2HB HIS 21 HB3 HIS 21 -8.670 -6.109 -1.931
156 HD1 HIS 21 HD1 HIS 21 -8.371 -6.638 -4.663
157 HD2 HIS 21 HD2 HIS 21 -5.487 -4.115 -2.956
158 HE1 HIS 21 HE1 HIS 21 -6.406 -6.463 -6.287
159 H ASN 22 HN ASN 22 -9.153 -4.620 -0.184
160 HA ASN 22 HA ASN 22 -11.086 -3.059 0.956
161 1HB ASN 22 HB2 ASN 22 -12.888 -4.707 1.655
162 2HB ASN 22 HB3 ASN 22 -12.949 -4.196 -0.048
163 1HD2 ASN 22 HD22 ASN 22 -13.775 -7.748 -0.153
164 2HD2 ASN 22 HD21 ASN 22 -14.448 -6.241 0.371
165 H THR 23 HN THR 23 -8.758 -3.142 1.831
166 HA THR 23 HA THR 23 -8.915 -4.643 4.292
167 HB THR 23 HB THR 23 -7.660 -6.141 2.661
168 HG1 THR 23 HG1 THR 23 -7.511 -6.295 4.877
169 1HG2 THR 23 HG21 THR 23 -6.309 -4.345 1.487
170 2HG2 THR 23 HG22 THR 23 -5.380 -4.082 3.022
171 3HG2 THR 23 HG23 THR 23 -5.296 -5.657 2.193
172 H SER 24 HN SER 24 -6.581 -3.824 5.448
173 HA SER 24 HA SER 24 -6.560 -0.891 5.190
174 1HB SER 24 HB2 SER 24 -6.740 -2.522 7.814
175 2HB SER 24 HB3 SER 24 -6.463 -0.735 7.695
176 HG SER 24 HG SER 24 -8.601 -1.258 8.067
177 H ARG 25 HN ARG 25 -4.901 -4.002 5.463
178 HA ARG 25 HA ARG 25 -2.535 -2.865 6.671
179 1HB ARG 25 HB2 ARG 25 -3.181 -5.757 5.872
180 2HB ARG 25 HB3 ARG 25 -1.690 -5.193 6.696
181 1HG ARG 25 HG2 ARG 25 -2.907 -6.105 8.410
182 2HG ARG 25 HG3 ARG 25 -3.167 -4.344 8.610
183 1HD ARG 25 HD2 ARG 25 -5.259 -5.732 9.027
184 2HD ARG 25 HD3 ARG 25 -5.478 -4.571 7.674
185 HE ARG 25 HE ARG 25 -5.530 -6.311 6.100
186 1HH1 ARG 25 HH22 ARG 25 -4.655 -7.699 9.288
187 2HH1 ARG 25 HH21 ARG 25 -4.835 -9.338 8.757
188 1HH2 ARG 25 HH12 ARG 25 -5.766 -8.508 5.432
189 2HH2 ARG 25 HH11 ARG 25 -5.472 -9.804 6.545
190 H GLY 26 HN GLY 26 -0.889 -2.264 5.577
191 1HA GLY 26 HA1 GLY 26 -0.020 -3.047 3.021
192 2HA GLY 26 HA2 GLY 26 -1.113 -1.594 2.936
193 H LYS 27 HN LYS 27 1.958 -2.237 2.754
194 HA LYS 27 HA LYS 27 2.947 0.080 4.211
195 1HB LYS 27 HB2 LYS 27 3.375 -1.570 5.889
196 2HB LYS 27 HB3 LYS 27 3.670 -2.859 4.682
197 1HG LYS 27 HG2 LYS 27 5.850 -1.977 4.126
198 2HG LYS 27 HG3 LYS 27 5.609 -0.533 5.189
199 1HD LYS 27 HD2 LYS 27 5.508 -2.020 7.183
200 2HD LYS 27 HD3 LYS 27 5.683 -3.470 6.137
201 1HE LYS 27 HE2 LYS 27 7.796 -1.216 6.425
202 2HE LYS 27 HE3 LYS 27 7.851 -2.829 7.247
203 1HZ LYS 27 HZ1 LYS 27 7.907 -3.869 5.082
204 2HZ LYS 27 HZ2 LYS 27 7.875 -2.354 4.312
205 3HZ LYS 27 HZ3 LYS 27 9.198 -2.786 5.285
206 H CYS 28 HN CYS 28 5.038 0.662 3.238
207 HA CYS 28 HA CYS 28 5.379 -0.408 0.490
208 1HB CYS 28 HB2 CYS 28 6.036 1.871 -0.261
209 2HB CYS 28 HB3 CYS 28 4.366 1.791 0.363
210 H MET 29 HN MET 29 7.571 0.142 -0.369
211 HA MET 29 HA MET 29 9.564 -0.721 1.597
212 1HB MET 29 HB2 MET 29 8.838 -2.054 -0.507
213 2HB MET 29 HB3 MET 29 9.929 -0.989 -1.410
214 1HG MET 29 HG2 MET 29 10.762 -2.479 1.171
215 2HG MET 29 HG3 MET 29 10.659 -3.346 -0.379
216 1HE MET 29 HE2 MET 29 12.229 -3.520 -2.117
217 2HE MET 29 HE3 MET 29 11.728 -1.874 -2.654
218 3HE MET 29 HE1 MET 29 13.472 -2.306 -2.581
219 H ASN 30 HN ASN 30 11.169 0.444 -1.076
220 HA ASN 30 HA ASN 30 11.946 2.839 0.317
221 1HB ASN 30 HB2 ASN 30 13.703 3.064 -1.489
222 2HB ASN 30 HB3 ASN 30 13.761 1.646 -0.401
223 1HD2 ASN 30 HD22 ASN 30 14.523 -0.169 -3.331
224 2HD2 ASN 30 HD21 ASN 30 15.147 0.622 -1.920
225 H LYS 31 HN LYS 31 10.136 2.134 -2.622
226 HA LYS 31 HA LYS 31 9.819 5.030 -3.157
227 1HB LYS 31 HB2 LYS 31 10.666 2.816 -5.095
228 2HB LYS 31 HB3 LYS 31 10.158 4.458 -5.610
229 1HG LYS 31 HG2 LYS 31 12.006 5.511 -4.391
230 2HG LYS 31 HG3 LYS 31 12.535 3.910 -3.776
231 1HD LYS 31 HD2 LYS 31 14.014 4.401 -5.498
232 2HD LYS 31 HD3 LYS 31 12.923 3.139 -6.157
233 1HE LYS 31 HE2 LYS 31 12.616 6.186 -6.718
234 2HE LYS 31 HE3 LYS 31 13.595 5.068 -7.750
235 1HZ LYS 31 HZ1 LYS 31 11.628 3.789 -8.179
236 2HZ LYS 31 HZ2 LYS 31 10.686 4.824 -7.216
237 3HZ LYS 31 HZ3 LYS 31 11.416 5.412 -8.633
238 H LYS 32 HN LYS 32 8.042 1.869 -3.064
239 HA LYS 32 HA LYS 32 5.894 3.171 -4.570
240 1HB LYS 32 HB2 LYS 32 5.547 1.427 -6.041
241 2HB LYS 32 HB3 LYS 32 7.232 1.973 -6.249
242 1HG LYS 32 HG2 LYS 32 8.052 0.022 -4.901
243 2HG LYS 32 HG3 LYS 32 6.354 -0.558 -4.719
244 1HD LYS 32 HD2 LYS 32 6.116 -0.588 -7.205
245 2HD LYS 32 HD3 LYS 32 7.877 -0.231 -7.347
246 1HE LYS 32 HE2 LYS 32 8.407 -2.375 -6.110
247 2HE LYS 32 HE3 LYS 32 6.637 -2.708 -5.931
248 1HZ LYS 32 HZ1 LYS 32 6.466 -2.784 -8.326
249 2HZ LYS 32 HZ2 LYS 32 8.131 -2.491 -8.491
250 3HZ LYS 32 HZ3 LYS 32 7.588 -3.919 -7.745
251 1HN ABA 33 HN ABA 33 3.832 2.221 -4.241
252 HA ABA 33 HA ABA 33 3.419 1.431 -1.527
253 1HB ABA 33 HB3 ABA 33 1.564 2.035 -3.908
254 2HB ABA 33 HB2 ABA 33 2.186 3.208 -2.693
255 1HG ABA 33 HG1 ABA 33 1.153 1.834 -0.892
256 2HG ABA 33 HG2 ABA 33 -0.004 2.738 -1.953
257 3HG ABA 33 HG3 ABA 33 0.192 0.949 -2.125
258 H ARG 34 HN ARG 34 2.602 -0.514 -0.791
259 HA ARG 34 HA ARG 34 2.103 -2.691 -2.696
260 1HB ARG 34 HB2 ARG 34 4.527 -2.480 -1.473
261 2HB ARG 34 HB3 ARG 34 3.679 -3.348 -0.169
262 1HG ARG 34 HG2 ARG 34 3.061 -5.162 -1.809
263 2HG ARG 34 HG3 ARG 34 3.872 -4.241 -3.119
264 1HD ARG 34 HD2 ARG 34 5.240 -5.395 -0.595
265 2HD ARG 34 HD3 ARG 34 5.334 -6.086 -2.261
266 HE ARG 34 HE ARG 34 6.370 -3.333 -1.410
267 1HH1 ARG 34 HH12 ARG 34 6.739 -6.227 -3.488
268 2HH1 ARG 34 HH11 ARG 34 8.142 -5.611 -4.297
269 1HH2 ARG 34 HH22 ARG 34 8.235 -2.546 -2.506
270 2HH2 ARG 34 HH21 ARG 34 8.999 -3.499 -3.735
271 H CYS 35 HN CYS 35 1.146 -4.611 -1.156
272 HA CYS 35 HA CYS 35 -0.529 -3.533 0.911
273 1HB CYS 35 HB2 CYS 35 -1.702 -3.205 -1.443
274 2HB CYS 35 HB3 CYS 35 -1.937 -4.967 -1.408
275 H TYR 36 HN TYR 36 -1.428 -5.255 2.149
276 HA TYR 36 HA TYR 36 0.135 -7.749 2.056
277 1HB TYR 36 HB2 TYR 36 0.293 -5.353 3.956
278 2HB TYR 36 HB3 TYR 36 0.663 -6.986 4.637
279 HD1 TYR 36 HD2 TYR 36 2.315 -8.407 2.906
280 HD2 TYR 36 HD1 TYR 36 2.157 -4.147 3.427
281 HE1 TYR 36 HE2 TYR 36 4.653 -8.221 2.138
282 HE2 TYR 36 HE1 TYR 36 4.463 -3.948 2.660
283 HH TYR 36 HH TYR 36 6.394 -6.846 1.724
284 H SER 37 HN SER 37 -2.108 -8.455 1.497
285 HA SER 37 HA SER 37 -4.075 -8.403 3.636
286 1HB SER 37 HB2 SER 37 -4.040 -9.834 0.921
287 2HB SER 37 HB3 SER 37 -5.411 -9.855 2.100
288 HG SER 37 HG SER 37 -5.623 -8.294 0.479
No H/Q in entry = 288
Start of MODEL 4
1 HA PCA 1 HA PGL 1 -4.121 -7.489 -5.766
2 1HB PCA 1 HB2 PGL 1 -4.080 -8.138 -2.958
3 2HB PCA 1 HB3 PGL 1 -5.290 -8.646 -4.174
4 1HG PCA 1 HG2 PGL 1 -2.983 -10.273 -3.070
5 2HG PCA 1 HG3 PGL 1 -4.608 -10.819 -3.683
6 HN PCA 1 HN PGL 1 -2.523 -9.031 -6.746
7 H PHE 2 HN PHE 2 -2.148 -6.439 -6.672
8 HA PHE 2 HA PHE 2 -0.220 -5.487 -4.664
9 1HB PHE 2 HB2 PHE 2 0.345 -5.866 -7.682
10 2HB PHE 2 HB3 PHE 2 1.515 -5.596 -6.340
11 HD1 PHE 2 HD1 PHE 2 1.494 -7.530 -4.463
12 HD2 PHE 2 HD2 PHE 2 -0.013 -7.973 -8.467
13 HE1 PHE 2 HE1 PHE 2 1.685 -9.991 -4.271
14 HE2 PHE 2 HE2 PHE 2 0.184 -10.427 -8.274
15 HZ PHE 2 HZ PHE 2 1.020 -11.443 -6.169
16 H THR 3 HN THR 3 0.708 -3.325 -5.314
17 HA THR 3 HA THR 3 -1.066 -1.667 -6.978
18 HB THR 3 HB THR 3 -0.362 0.214 -5.333
19 HG1 THR 3 HG1 THR 3 0.234 -0.375 -3.402
20 1HG2 THR 3 HG22 THR 3 -2.282 -1.999 -4.367
21 2HG2 THR 3 HG23 THR 3 -2.211 -0.306 -3.765
22 3HG2 THR 3 HG21 THR 3 -2.665 -0.622 -5.482
23 H ASN 4 HN ASN 4 0.210 0.350 -7.700
24 HA ASN 4 HA ASN 4 3.067 0.096 -7.806
25 1HB ASN 4 HB2 ASN 4 3.052 0.358 -10.371
26 2HB ASN 4 HB3 ASN 4 2.737 -1.270 -9.724
27 1HD2 ASN 4 HD22 ASN 4 -0.382 -1.664 -11.309
28 2HD2 ASN 4 HD21 ASN 4 0.930 -2.357 -10.413
29 H VAL 5 HN VAL 5 1.855 1.806 -6.265
30 HA VAL 5 HA VAL 5 1.671 4.384 -7.684
31 HB VAL 5 HB VAL 5 1.004 4.007 -4.740
32 1HG1 VAL 5 HG11 VAL 5 -0.072 5.773 -7.068
33 2HG1 VAL 5 HG12 VAL 5 -0.644 5.836 -5.361
34 3HG1 VAL 5 HG13 VAL 5 1.025 6.358 -5.766
35 1HG2 VAL 5 HG22 VAL 5 -0.718 3.143 -7.133
36 2HG2 VAL 5 HG23 VAL 5 -0.211 2.197 -5.666
37 3HG2 VAL 5 HG21 VAL 5 -1.369 3.564 -5.510
38 H SER 6 HN SER 6 2.605 6.063 -5.650
39 HA SER 6 HA SER 6 5.359 5.152 -5.097
40 1HB SER 6 HB2 SER 6 5.975 7.622 -4.979
41 2HB SER 6 HB3 SER 6 5.633 6.929 -6.588
42 HG SER 6 HG SER 6 3.811 8.408 -4.996
43 H CYS 7 HN CYS 7 6.045 5.074 -3.069
44 HA CYS 7 HA CYS 7 4.453 6.451 -0.940
45 1HB CYS 7 HB2 CYS 7 3.368 4.430 -0.960
46 2HB CYS 7 HB3 CYS 7 4.833 3.470 -1.047
47 H THR 8 HN THR 8 5.570 6.907 0.900
48 HA THR 8 HA THR 8 8.432 6.299 1.082
49 HB THR 8 HB THR 8 8.815 8.617 2.060
50 HG1 THR 8 HG1 THR 8 6.389 9.089 0.653
51 1HG2 THR 8 HG23 THR 8 9.643 7.843 -0.181
52 2HG2 THR 8 HG21 THR 8 8.120 8.428 -0.947
53 3HG2 THR 8 HG22 THR 8 9.239 9.598 -0.159
54 H THR 9 HN THR 9 5.423 7.478 2.702
55 HA THR 9 HA THR 9 6.333 6.357 5.270
56 HB THR 9 HB THR 9 4.495 7.841 6.244
57 HG1 THR 9 HG1 THR 9 3.455 8.251 4.232
58 1HG2 THR 9 HG21 THR 9 6.921 8.348 6.373
59 2HG2 THR 9 HG22 THR 9 6.855 9.166 4.764
60 3HG2 THR 9 HG23 THR 9 5.933 9.842 6.162
61 H SER 10 HN SER 10 5.243 4.728 6.228
62 HA SER 10 HA SER 10 3.083 3.424 4.792
63 1HB SER 10 HB2 SER 10 3.480 1.525 6.405
64 2HB SER 10 HB3 SER 10 4.862 1.961 5.351
65 HG SER 10 HG SER 10 5.463 1.612 7.491
66 H LYS 11 HN LYS 11 1.688 5.220 5.205
67 HA LYS 11 HA LYS 11 -0.242 4.684 7.101
68 1HB LYS 11 HB2 LYS 11 -0.360 6.573 8.523
69 2HB LYS 11 HB3 LYS 11 1.304 5.936 8.670
70 1HG LYS 11 HG2 LYS 11 2.104 7.790 7.119
71 2HG LYS 11 HG3 LYS 11 0.420 8.431 7.100
72 1HD LYS 11 HD2 LYS 11 0.573 8.462 9.698
73 2HD LYS 11 HD3 LYS 11 2.349 8.317 9.472
74 1HE LYS 11 HE2 LYS 11 0.493 10.535 8.334
75 2HE LYS 11 HE3 LYS 11 1.633 10.713 9.727
76 1HZ LYS 11 HZ2 LYS 11 3.451 10.269 8.216
77 2HZ LYS 11 HZ3 LYS 11 2.373 10.113 6.911
78 3HZ LYS 11 HZ1 LYS 11 2.528 11.603 7.712
79 H GLU 12 HN GLU 12 1.301 6.915 4.736
80 HA GLU 12 HA GLU 12 -0.790 8.354 3.863
81 1HB GLU 12 HB2 GLU 12 1.849 8.304 3.528
82 2HB GLU 12 HB3 GLU 12 1.504 7.489 2.007
83 1HG GLU 12 HG2 GLU 12 0.336 10.217 2.920
84 2HG GLU 12 HG3 GLU 12 1.829 10.025 1.933
85 1HN ABA 13 HN ABA 13 0.250 5.130 2.702
86 HA ABA 13 HA ABA 13 -1.644 5.150 0.453
87 1HB ABA 13 HB3 ABA 13 0.681 4.950 -0.130
88 2HB ABA 13 HB2 ABA 13 -0.192 3.451 -0.506
89 1HG ABA 13 HG1 ABA 13 1.664 3.961 1.920
90 2HG ABA 13 HG2 ABA 13 0.836 2.384 1.585
91 3HG ABA 13 HG3 ABA 13 2.047 3.044 0.416
92 H TRP 14 HN TRP 14 -2.512 4.640 3.253
93 HA TRP 14 HA TRP 14 -3.268 1.848 3.284
94 1HB TRP 14 HB2 TRP 14 -3.669 4.169 5.241
95 2HB TRP 14 HB3 TRP 14 -4.431 2.560 5.491
96 HD1 TRP 14 HD1 TRP 14 -0.655 3.151 4.403
97 HE1 TRP 14 HE1 TRP 14 0.697 1.580 5.820
98 HE3 TRP 14 HE3 TRP 14 -4.336 1.671 7.641
99 HZ2 TRP 14 HZ2 TRP 14 0.325 -0.087 8.110
100 HZ3 TRP 14 HZ3 TRP 14 -3.779 0.003 9.378
101 HH2 TRP 14 HH2 TRP 14 -1.490 -0.920 9.551
102 H SER 15 HN SER 15 -4.690 4.855 2.089
103 HA SER 15 HA SER 15 -7.370 3.785 1.962
104 1HB SER 15 HB2 SER 15 -7.927 6.039 0.986
105 2HB SER 15 HB3 SER 15 -7.222 6.093 2.634
106 HG SER 15 HG SER 15 -6.328 7.631 1.278
107 H VAL 16 HN VAL 16 -4.532 3.321 0.341
108 HA VAL 16 HA VAL 16 -5.561 3.236 -2.379
109 HB VAL 16 HB VAL 16 -2.769 2.702 -1.244
110 1HG1 VAL 16 HG12 VAL 16 -3.744 3.084 -4.162
111 2HG1 VAL 16 HG13 VAL 16 -2.030 2.971 -3.602
112 3HG1 VAL 16 HG11 VAL 16 -3.105 1.549 -3.457
113 1HG2 VAL 16 HG21 VAL 16 -4.011 5.183 -2.613
114 2HG2 VAL 16 HG22 VAL 16 -3.496 5.073 -0.888
115 3HG2 VAL 16 HG23 VAL 16 -2.271 4.972 -2.195
116 H CYS 17 HN CYS 17 -4.530 1.047 0.308
117 HA CYS 17 HA CYS 17 -5.108 -1.384 -1.160
118 1HB CYS 17 HB2 CYS 17 -4.366 -0.637 1.713
119 2HB CYS 17 HB3 CYS 17 -4.949 -2.291 1.384
120 H GLN 18 HN GLN 18 -7.091 0.981 0.462
121 HA GLN 18 HA GLN 18 -9.109 -0.805 1.401
122 1HB GLN 18 HB2 GLN 18 -8.162 1.360 2.439
123 2HB GLN 18 HB3 GLN 18 -9.156 2.280 1.290
124 1HG GLN 18 HG2 GLN 18 -10.137 0.131 3.274
125 2HG GLN 18 HG3 GLN 18 -10.066 1.906 3.632
126 1HE2 GLN 18 HE22 GLN 18 -13.420 0.421 1.965
127 2HE2 GLN 18 HE21 GLN 18 -12.221 -0.505 2.804
128 H ARG 19 HN ARG 19 -8.932 1.894 -0.926
129 HA ARG 19 HA ARG 19 -11.511 1.463 -2.054
130 1HB ARG 19 HB2 ARG 19 -9.313 3.396 -2.832
131 2HB ARG 19 HB3 ARG 19 -10.955 3.306 -3.590
132 1HG ARG 19 HG2 ARG 19 -11.996 3.522 -1.359
133 2HG ARG 19 HG3 ARG 19 -10.401 3.990 -0.667
134 1HD ARG 19 HD2 ARG 19 -10.330 6.039 -1.890
135 2HD ARG 19 HD3 ARG 19 -11.328 5.329 -3.247
136 HE ARG 19 HE ARG 19 -13.044 5.299 -1.082
137 1HH1 ARG 19 HH12 ARG 19 -11.319 7.794 -2.967
138 2HH1 ARG 19 HH11 ARG 19 -12.593 8.963 -2.853
139 1HH2 ARG 19 HH22 ARG 19 -14.729 6.919 -0.877
140 2HH2 ARG 19 HH21 ARG 19 -14.554 8.458 -1.651
141 H LEU 20 HN LEU 20 -8.418 0.009 -2.805
142 HA LEU 20 HA LEU 20 -9.117 -0.650 -5.535
143 1HB LEU 20 HB2 LEU 20 -6.823 0.047 -5.041
144 2HB LEU 20 HB3 LEU 20 -6.666 -1.248 -3.815
145 HG LEU 20 HG LEU 20 -6.852 -2.968 -5.523
146 1HD1 LEU 20 HD11 LEU 20 -7.025 -0.691 -7.616
147 2HD1 LEU 20 HD12 LEU 20 -6.788 -2.437 -7.994
148 3HD1 LEU 20 HD13 LEU 20 -8.324 -1.886 -7.243
149 1HD2 LEU 20 HD21 LEU 20 -4.627 -2.074 -4.955
150 2HD2 LEU 20 HD22 LEU 20 -4.682 -2.618 -6.671
151 3HD2 LEU 20 HD23 LEU 20 -4.753 -0.858 -6.284
152 H HIS 21 HN HIS 21 -8.558 -2.275 -2.303
153 HA HIS 21 HA HIS 21 -9.906 -4.687 -3.320
154 1HB HIS 21 HB2 HIS 21 -7.693 -4.401 -1.206
155 2HB HIS 21 HB3 HIS 21 -8.537 -5.932 -1.651
156 HD1 HIS 21 HD1 HIS 21 -8.088 -6.718 -4.248
157 HD2 HIS 21 HD2 HIS 21 -5.579 -3.675 -2.819
158 HE1 HIS 21 HE1 HIS 21 -6.057 -6.570 -5.791
159 H ASN 22 HN ASN 22 -9.214 -4.625 -0.036
160 HA ASN 22 HA ASN 22 -11.271 -3.151 1.087
161 1HB ASN 22 HB2 ASN 22 -12.903 -4.958 1.818
162 2HB ASN 22 HB3 ASN 22 -12.987 -4.550 0.091
163 1HD2 ASN 22 HD22 ASN 22 -12.392 -8.414 1.198
164 2HD2 ASN 22 HD21 ASN 22 -12.750 -7.144 2.320
165 H THR 23 HN THR 23 -8.810 -3.065 1.879
166 HA THR 23 HA THR 23 -8.820 -4.499 4.387
167 HB THR 23 HB THR 23 -7.599 -5.983 2.690
168 HG1 THR 23 HG1 THR 23 -7.392 -6.143 4.903
169 1HG2 THR 23 HG22 THR 23 -6.296 -4.140 1.515
170 2HG2 THR 23 HG23 THR 23 -5.337 -3.915 3.040
171 3HG2 THR 23 HG21 THR 23 -5.266 -5.470 2.162
172 H SER 24 HN SER 24 -6.588 -3.627 5.506
173 HA SER 24 HA SER 24 -6.392 -0.725 5.029
174 1HB SER 24 HB2 SER 24 -6.671 -2.084 7.789
175 2HB SER 24 HB3 SER 24 -6.330 -0.333 7.494
176 HG SER 24 HG SER 24 -8.487 -0.754 7.912
177 H ARG 25 HN ARG 25 -4.944 -3.869 5.405
178 HA ARG 25 HA ARG 25 -2.490 -2.906 6.599
179 1HB ARG 25 HB2 ARG 25 -3.456 -5.740 5.924
180 2HB ARG 25 HB3 ARG 25 -1.856 -5.324 6.620
181 1HG ARG 25 HG2 ARG 25 -3.137 -6.087 8.415
182 2HG ARG 25 HG3 ARG 25 -2.944 -4.316 8.620
183 1HD ARG 25 HD2 ARG 25 -5.233 -5.148 9.279
184 2HD ARG 25 HD3 ARG 25 -5.323 -3.961 7.937
185 HE ARG 25 HE ARG 25 -5.677 -5.745 6.318
186 1HH1 ARG 25 HH12 ARG 25 -5.844 -6.890 9.718
187 2HH1 ARG 25 HH11 ARG 25 -6.619 -8.383 9.301
188 1HH2 ARG 25 HH22 ARG 25 -6.712 -7.765 5.813
189 2HH2 ARG 25 HH21 ARG 25 -7.113 -8.882 7.076
190 H GLY 26 HN GLY 26 -0.832 -2.438 5.489
191 1HA GLY 26 HA1 GLY 26 0.163 -3.399 3.111
192 2HA GLY 26 HA2 GLY 26 -0.955 -2.006 2.739
193 H LYS 27 HN LYS 27 2.074 -2.210 2.622
194 HA LYS 27 HA LYS 27 2.732 0.079 4.345
195 1HB LYS 27 HB2 LYS 27 4.598 -2.349 3.928
196 2HB LYS 27 HB3 LYS 27 4.895 -0.900 4.955
197 1HG LYS 27 HG2 LYS 27 3.045 -1.648 6.480
198 2HG LYS 27 HG3 LYS 27 2.768 -3.073 5.415
199 1HD LYS 27 HD2 LYS 27 5.209 -3.735 5.793
200 2HD LYS 27 HD3 LYS 27 5.264 -2.504 7.102
201 1HE LYS 27 HE2 LYS 27 3.338 -4.934 6.920
202 2HE LYS 27 HE3 LYS 27 4.772 -4.789 8.015
203 1HZ LYS 27 HZ1 LYS 27 2.353 -3.059 8.049
204 2HZ LYS 27 HZ2 LYS 27 2.716 -4.318 9.130
205 3HZ LYS 27 HZ3 LYS 27 3.694 -2.928 9.085
206 H CYS 28 HN CYS 28 5.481 -0.080 3.250
207 HA CYS 28 HA CYS 28 5.305 -0.481 0.428
208 1HB CYS 28 HB2 CYS 28 6.091 1.858 -0.213
209 2HB CYS 28 HB3 CYS 28 4.419 1.717 0.363
210 H MET 29 HN MET 29 7.543 0.155 -0.569
211 HA MET 29 HA MET 29 9.624 -0.887 1.176
212 1HB MET 29 HB2 MET 29 8.790 -1.883 -1.121
213 2HB MET 29 HB3 MET 29 9.894 -0.701 -1.847
214 1HG MET 29 HG2 MET 29 10.566 -2.779 0.349
215 2HG MET 29 HG3 MET 29 10.753 -3.084 -1.399
216 1HE MET 29 HE2 MET 29 13.081 -3.969 -0.147
217 2HE MET 29 HE3 MET 29 14.319 -2.845 0.517
218 3HE MET 29 HE1 MET 29 12.758 -3.068 1.377
219 H ASN 30 HN ASN 30 11.125 0.613 -1.321
220 HA ASN 30 HA ASN 30 11.826 2.921 0.239
221 1HB ASN 30 HB2 ASN 30 13.552 3.322 -1.570
222 2HB ASN 30 HB3 ASN 30 13.660 1.820 -0.609
223 1HD2 ASN 30 HD22 ASN 30 14.473 0.396 -3.758
224 2HD2 ASN 30 HD21 ASN 30 15.111 1.136 -2.329
225 H LYS 31 HN LYS 31 10.049 2.360 -2.753
226 HA LYS 31 HA LYS 31 9.396 5.224 -2.988
227 1HB LYS 31 HB2 LYS 31 10.864 3.432 -4.992
228 2HB LYS 31 HB3 LYS 31 10.000 4.877 -5.570
229 1HG LYS 31 HG2 LYS 31 12.253 4.913 -3.532
230 2HG LYS 31 HG3 LYS 31 12.397 5.283 -5.289
231 1HD LYS 31 HD2 LYS 31 10.730 6.854 -3.228
232 2HD LYS 31 HD3 LYS 31 12.349 7.319 -3.850
233 1HE LYS 31 HE2 LYS 31 11.406 7.518 -6.186
234 2HE LYS 31 HE3 LYS 31 9.761 7.106 -5.547
235 1HZ LYS 31 HZ1 LYS 31 11.420 9.434 -4.739
236 2HZ LYS 31 HZ2 LYS 31 10.071 9.452 -5.773
237 3HZ LYS 31 HZ3 LYS 31 9.880 9.040 -4.136
238 H LYS 32 HN LYS 32 7.939 2.086 -2.932
239 HA LYS 32 HA LYS 32 5.791 3.164 -4.552
240 1HB LYS 32 HB2 LYS 32 5.538 1.421 -6.018
241 2HB LYS 32 HB3 LYS 32 7.214 2.003 -6.204
242 1HG LYS 32 HG2 LYS 32 7.981 0.081 -4.675
243 2HG LYS 32 HG3 LYS 32 6.320 -0.605 -4.831
244 1HD LYS 32 HD2 LYS 32 6.560 -0.579 -7.319
245 2HD LYS 32 HD3 LYS 32 8.225 0.072 -7.146
246 1HE LYS 32 HE2 LYS 32 7.264 -2.685 -6.075
247 2HE LYS 32 HE3 LYS 32 8.245 -2.418 -7.573
248 1HZ LYS 32 HZ1 LYS 32 9.975 -1.468 -6.205
249 2HZ LYS 32 HZ2 LYS 32 9.051 -1.710 -4.801
250 3HZ LYS 32 HZ3 LYS 32 9.592 -3.045 -5.703
251 1HN ABA 33 HN ABA 33 3.755 2.089 -4.206
252 HA ABA 33 HA ABA 33 3.384 1.416 -1.488
253 1HB ABA 33 HB3 ABA 33 1.491 1.632 -3.870
254 2HB ABA 33 HB2 ABA 33 1.930 2.903 -2.672
255 1HG ABA 33 HG1 ABA 33 1.002 1.515 -0.834
256 2HG ABA 33 HG2 ABA 33 -0.234 2.067 -2.040
257 3HG ABA 33 HG3 ABA 33 0.326 0.355 -2.022
258 H ARG 34 HN ARG 34 2.544 -0.550 -0.646
259 HA ARG 34 HA ARG 34 2.423 -2.892 -2.386
260 1HB ARG 34 HB2 ARG 34 4.732 -2.476 -1.021
261 2HB ARG 34 HB3 ARG 34 3.802 -3.130 0.347
262 1HG ARG 34 HG2 ARG 34 5.122 -4.861 -0.742
263 2HG ARG 34 HG3 ARG 34 3.392 -5.237 -1.061
264 1HD ARG 34 HD2 ARG 34 3.570 -4.401 -3.378
265 2HD ARG 34 HD3 ARG 34 5.202 -3.707 -3.070
266 HE ARG 34 HE ARG 34 4.450 -6.597 -3.455
267 1HH1 ARG 34 HH22 ARG 34 7.052 -4.276 -2.639
268 2HH1 ARG 34 HH21 ARG 34 8.329 -5.387 -3.009
269 1HH2 ARG 34 HH12 ARG 34 6.187 -8.058 -3.947
270 2HH2 ARG 34 HH11 ARG 34 7.832 -7.553 -3.758
271 H CYS 35 HN CYS 35 1.420 -4.764 -0.921
272 HA CYS 35 HA CYS 35 -0.553 -3.723 0.897
273 1HB CYS 35 HB2 CYS 35 -1.366 -3.617 -1.651
274 2HB CYS 35 HB3 CYS 35 -1.662 -5.357 -1.447
275 H TYR 36 HN TYR 36 -1.233 -5.261 2.254
276 HA TYR 36 HA TYR 36 0.197 -7.849 2.276
277 1HB TYR 36 HB2 TYR 36 0.487 -5.441 4.173
278 2HB TYR 36 HB3 TYR 36 0.901 -7.104 4.755
279 HD1 TYR 36 HD2 TYR 36 2.430 -8.454 2.933
280 HD2 TYR 36 HD1 TYR 36 2.260 -4.205 3.452
281 HE1 TYR 36 HE2 TYR 36 4.700 -8.245 1.971
282 HE2 TYR 36 HE1 TYR 36 4.506 -3.973 2.479
283 HH TYR 36 HH TYR 36 6.366 -6.851 1.374
284 H SER 37 HN SER 37 -2.150 -8.278 1.749
285 HA SER 37 HA SER 37 -3.966 -8.099 4.035
286 1HB SER 37 HB2 SER 37 -4.771 -7.540 1.705
287 2HB SER 37 HB3 SER 37 -4.459 -9.245 1.225
288 HG SER 37 HG SER 37 -6.610 -8.806 1.869
No H/Q in entry = 288
Start of MODEL 5
1 HA PCA 1 HA PGL 1 -3.317 -8.287 -4.894
2 1HB PCA 1 HB2 PGL 1 -0.505 -9.011 -5.805
3 2HB PCA 1 HB3 PGL 1 -1.811 -10.066 -5.157
4 1HG PCA 1 HG2 PGL 1 -1.018 -9.755 -7.911
5 2HG PCA 1 HG3 PGL 1 -2.556 -10.542 -7.332
6 HN PCA 1 HN PGL 1 -3.526 -6.724 -6.848
7 H PHE 2 HN PHE 2 -0.698 -6.492 -6.591
8 HA PHE 2 HA PHE 2 -0.089 -4.891 -4.194
9 1HB PHE 2 HB2 PHE 2 1.772 -5.581 -6.570
10 2HB PHE 2 HB3 PHE 2 2.216 -4.731 -5.041
11 HD1 PHE 2 HD1 PHE 2 1.131 -6.370 -2.886
12 HD2 PHE 2 HD2 PHE 2 2.781 -7.627 -6.657
13 HE1 PHE 2 HE1 PHE 2 1.728 -8.546 -1.902
14 HE2 PHE 2 HE2 PHE 2 3.368 -9.813 -5.665
15 HZ PHE 2 HZ PHE 2 2.848 -10.276 -3.284
16 H THR 3 HN THR 3 0.676 -2.623 -4.870
17 HA THR 3 HA THR 3 -1.008 -1.672 -7.086
18 HB THR 3 HB THR 3 -1.751 0.060 -5.968
19 HG1 THR 3 HG1 THR 3 0.384 0.154 -4.144
20 1HG2 THR 3 HG23 THR 3 -2.245 -2.054 -4.544
21 2HG2 THR 3 HG21 THR 3 -0.874 -1.588 -3.488
22 3HG2 THR 3 HG22 THR 3 -2.305 -0.513 -3.632
23 H ASN 4 HN ASN 4 -0.152 0.552 -7.968
24 HA ASN 4 HA ASN 4 2.761 0.628 -8.197
25 1HB ASN 4 HB2 ASN 4 2.504 1.138 -10.692
26 2HB ASN 4 HB3 ASN 4 2.256 -0.559 -10.209
27 1HD2 ASN 4 HD22 ASN 4 -1.094 -0.794 -11.343
28 2HD2 ASN 4 HD21 ASN 4 0.227 -1.558 -10.520
29 H VAL 5 HN VAL 5 1.262 1.957 -6.403
30 HA VAL 5 HA VAL 5 1.202 4.775 -7.257
31 HB VAL 5 HB VAL 5 0.091 3.173 -4.891
32 1HG1 VAL 5 HG13 VAL 5 0.250 6.243 -5.154
33 2HG1 VAL 5 HG11 VAL 5 -0.849 5.355 -4.028
34 3HG1 VAL 5 HG12 VAL 5 0.926 5.199 -3.830
35 1HG2 VAL 5 HG22 VAL 5 -1.183 4.920 -7.100
36 2HG2 VAL 5 HG23 VAL 5 -1.256 3.122 -6.975
37 3HG2 VAL 5 HG21 VAL 5 -2.079 4.144 -5.745
38 H SER 6 HN SER 6 2.571 6.240 -5.803
39 HA SER 6 HA SER 6 5.047 4.905 -5.034
40 1HB SER 6 HB2 SER 6 6.020 7.242 -4.985
41 2HB SER 6 HB3 SER 6 5.461 6.616 -6.563
42 HG SER 6 HG SER 6 4.006 8.350 -4.855
43 H CYS 7 HN CYS 7 5.959 4.950 -2.986
44 HA CYS 7 HA CYS 7 4.453 6.333 -0.818
45 1HB CYS 7 HB2 CYS 7 3.217 4.444 -0.837
46 2HB CYS 7 HB3 CYS 7 4.566 3.346 -1.014
47 H THR 8 HN THR 8 5.625 6.739 0.945
48 HA THR 8 HA THR 8 8.441 5.953 1.130
49 HB THR 8 HB THR 8 8.947 8.248 2.125
50 HG1 THR 8 HG1 THR 8 6.557 8.856 0.715
51 1HG2 THR 8 HG23 THR 8 9.723 7.458 -0.134
52 2HG2 THR 8 HG21 THR 8 8.220 8.113 -0.879
53 3HG2 THR 8 HG22 THR 8 9.394 9.229 -0.093
54 H THR 9 HN THR 9 5.454 7.195 2.754
55 HA THR 9 HA THR 9 6.367 6.063 5.319
56 HB THR 9 HB THR 9 4.572 7.637 6.286
57 HG1 THR 9 HG1 THR 9 4.929 8.783 3.712
58 1HG2 THR 9 HG21 THR 9 7.039 7.982 6.466
59 2HG2 THR 9 HG22 THR 9 7.042 8.839 4.876
60 3HG2 THR 9 HG23 THR 9 6.139 9.534 6.277
61 H SER 10 HN SER 10 5.131 4.605 6.402
62 HA SER 10 HA SER 10 2.886 3.355 5.041
63 1HB SER 10 HB2 SER 10 4.700 1.909 5.831
64 2HB SER 10 HB3 SER 10 4.523 2.532 7.514
65 HG SER 10 HG SER 10 2.387 1.652 7.429
66 H LYS 11 HN LYS 11 1.480 5.112 5.240
67 HA LYS 11 HA LYS 11 -0.411 4.996 7.212
68 1HB LYS 11 HB2 LYS 11 1.151 6.261 8.701
69 2HB LYS 11 HB3 LYS 11 1.323 7.547 7.465
70 1HG LYS 11 HG2 LYS 11 -0.999 8.246 7.808
71 2HG LYS 11 HG3 LYS 11 -1.384 6.722 8.686
72 1HD LYS 11 HD2 LYS 11 -1.253 8.565 10.264
73 2HD LYS 11 HD3 LYS 11 0.058 7.376 10.575
74 1HE LYS 11 HE2 LYS 11 1.724 8.912 9.459
75 2HE LYS 11 HE3 LYS 11 0.394 10.094 9.116
76 1HZ LYS 11 HZ3 LYS 11 1.255 9.163 11.805
77 2HZ LYS 11 HZ1 LYS 11 1.652 10.646 11.080
78 3HZ LYS 11 HZ2 LYS 11 0.035 10.297 11.472
79 H GLU 12 HN GLU 12 1.380 6.931 4.772
80 HA GLU 12 HA GLU 12 -0.384 8.448 3.563
81 1HB GLU 12 HB2 GLU 12 2.147 8.061 3.425
82 2HB GLU 12 HB3 GLU 12 1.846 6.784 2.226
83 1HG GLU 12 HG2 GLU 12 0.691 8.572 0.769
84 2HG GLU 12 HG3 GLU 12 1.140 9.773 2.044
85 1HN ABA 13 HN ABA 13 0.208 5.001 2.783
86 HA ABA 13 HA ABA 13 -1.646 5.091 0.487
87 1HB ABA 13 HB3 ABA 13 0.751 4.868 -0.047
88 2HB ABA 13 HB2 ABA 13 -0.187 3.448 -0.537
89 1HG ABA 13 HG1 ABA 13 2.004 2.886 0.432
90 2HG ABA 13 HG2 ABA 13 1.589 3.700 1.985
91 3HG ABA 13 HG3 ABA 13 0.724 2.180 1.490
92 H TRP 14 HN TRP 14 -2.381 4.525 3.350
93 HA TRP 14 HA TRP 14 -3.129 1.732 3.333
94 1HB TRP 14 HB2 TRP 14 -3.422 4.014 5.366
95 2HB TRP 14 HB3 TRP 14 -4.163 2.398 5.632
96 HD1 TRP 14 HD1 TRP 14 -0.463 3.077 4.340
97 HE1 TRP 14 HE1 TRP 14 0.984 1.435 5.581
98 HE3 TRP 14 HE3 TRP 14 -3.902 1.472 7.768
99 HZ2 TRP 14 HZ2 TRP 14 0.779 -0.288 7.853
100 HZ3 TRP 14 HZ3 TRP 14 -3.221 -0.235 9.423
101 HH2 TRP 14 HH2 TRP 14 -0.920 -1.141 9.427
102 H SER 15 HN SER 15 -4.609 4.748 2.282
103 HA SER 15 HA SER 15 -7.251 3.597 2.089
104 1HB SER 15 HB2 SER 15 -7.870 5.865 1.175
105 2HB SER 15 HB3 SER 15 -7.213 5.890 2.842
106 HG SER 15 HG SER 15 -5.201 6.452 1.980
107 H VAL 16 HN VAL 16 -4.377 3.232 0.435
108 HA VAL 16 HA VAL 16 -5.528 3.190 -2.253
109 HB VAL 16 HB VAL 16 -2.669 2.686 -1.291
110 1HG1 VAL 16 HG11 VAL 16 -3.860 3.024 -4.129
111 2HG1 VAL 16 HG12 VAL 16 -2.102 3.012 -3.725
112 3HG1 VAL 16 HG13 VAL 16 -3.075 1.534 -3.479
113 1HG2 VAL 16 HG21 VAL 16 -4.039 5.146 -2.567
114 2HG2 VAL 16 HG22 VAL 16 -3.426 5.039 -0.876
115 3HG2 VAL 16 HG23 VAL 16 -2.273 4.975 -2.248
116 H CYS 17 HN CYS 17 -4.528 0.976 0.406
117 HA CYS 17 HA CYS 17 -5.127 -1.402 -1.181
118 1HB CYS 17 HB2 CYS 17 -4.117 -0.834 1.625
119 2HB CYS 17 HB3 CYS 17 -4.839 -2.436 1.311
120 H GLN 18 HN GLN 18 -6.999 0.934 0.529
121 HA GLN 18 HA GLN 18 -9.171 -0.804 1.220
122 1HB GLN 18 HB2 GLN 18 -8.276 1.175 2.550
123 2HB GLN 18 HB3 GLN 18 -8.938 2.261 1.290
124 1HG GLN 18 HG2 GLN 18 -11.240 1.283 1.733
125 2HG GLN 18 HG3 GLN 18 -10.506 0.222 2.999
126 1HE2 GLN 18 HE22 GLN 18 -9.732 3.042 5.247
127 2HE2 GLN 18 HE21 GLN 18 -9.028 1.582 4.639
128 H ARG 19 HN ARG 19 -8.213 1.546 -1.304
129 HA ARG 19 HA ARG 19 -10.768 1.638 -2.621
130 1HB ARG 19 HB2 ARG 19 -8.024 2.874 -3.109
131 2HB ARG 19 HB3 ARG 19 -9.344 3.076 -4.309
132 1HG ARG 19 HG2 ARG 19 -9.802 3.794 -1.376
133 2HG ARG 19 HG3 ARG 19 -8.947 4.919 -2.477
134 1HD ARG 19 HD2 ARG 19 -11.743 3.763 -3.096
135 2HD ARG 19 HD3 ARG 19 -11.484 5.323 -2.224
136 HE ARG 19 HE ARG 19 -10.939 4.723 -5.116
137 1HH1 ARG 19 HH22 ARG 19 -10.528 7.072 -2.446
138 2HH1 ARG 19 HH21 ARG 19 -10.126 8.389 -3.494
139 1HH2 ARG 19 HH12 ARG 19 -10.393 6.511 -6.499
140 2HH2 ARG 19 HH11 ARG 19 -10.048 8.064 -5.821
141 H LEU 20 HN LEU 20 -7.751 -0.257 -2.979
142 HA LEU 20 HA LEU 20 -8.417 -1.113 -5.656
143 1HB LEU 20 HB2 LEU 20 -6.088 -0.531 -5.121
144 2HB LEU 20 HB3 LEU 20 -6.061 -1.741 -3.805
145 HG LEU 20 HG LEU 20 -6.379 -3.562 -5.438
146 1HD1 LEU 20 HD12 LEU 20 -7.628 -2.415 -7.282
147 2HD1 LEU 20 HD13 LEU 20 -6.177 -1.406 -7.648
148 3HD1 LEU 20 HD11 LEU 20 -6.134 -3.191 -7.908
149 1HD2 LEU 20 HD21 LEU 20 -4.113 -2.938 -4.787
150 2HD2 LEU 20 HD22 LEU 20 -4.132 -3.494 -6.500
151 3HD2 LEU 20 HD23 LEU 20 -4.010 -1.732 -6.129
152 H HIS 21 HN HIS 21 -8.178 -2.467 -2.268
153 HA HIS 21 HA HIS 21 -9.559 -4.902 -3.162
154 1HB HIS 21 HB2 HIS 21 -7.471 -4.496 -0.933
155 2HB HIS 21 HB3 HIS 21 -8.360 -6.027 -1.277
156 HD1 HIS 21 HD1 HIS 21 -7.787 -7.128 -3.699
157 HD2 HIS 21 HD2 HIS 21 -5.206 -4.036 -2.504
158 HE1 HIS 21 HE1 HIS 21 -5.664 -7.259 -5.118
159 H ASN 22 HN ASN 22 -9.124 -4.617 0.120
160 HA ASN 22 HA ASN 22 -11.113 -2.907 0.992
161 1HB ASN 22 HB2 ASN 22 -12.910 -4.624 1.733
162 2HB ASN 22 HB3 ASN 22 -12.920 -4.140 0.026
163 1HD2 ASN 22 HD22 ASN 22 -12.508 -7.385 -1.290
164 2HD2 ASN 22 HD21 ASN 22 -12.737 -5.693 -1.580
165 H THR 23 HN THR 23 -8.744 -2.942 1.936
166 HA THR 23 HA THR 23 -8.921 -4.315 4.475
167 HB THR 23 HB THR 23 -7.766 -5.898 2.822
168 HG1 THR 23 HG1 THR 23 -7.660 -6.072 5.023
169 1HG2 THR 23 HG21 THR 23 -6.283 -4.207 1.658
170 2HG2 THR 23 HG22 THR 23 -5.357 -4.001 3.202
171 3HG2 THR 23 HG23 THR 23 -5.385 -5.590 2.385
172 H SER 24 HN SER 24 -6.373 -3.546 5.400
173 HA SER 24 HA SER 24 -6.449 -0.619 5.197
174 1HB SER 24 HB2 SER 24 -6.374 -0.381 7.684
175 2HB SER 24 HB3 SER 24 -7.923 -1.052 7.074
176 HG SER 24 HG SER 24 -5.851 -2.343 8.457
177 H ARG 25 HN ARG 25 -4.737 -3.676 5.895
178 HA ARG 25 HA ARG 25 -2.283 -2.297 6.524
179 1HB ARG 25 HB2 ARG 25 -1.388 -4.662 6.894
180 2HB ARG 25 HB3 ARG 25 -2.554 -3.985 8.052
181 1HG ARG 25 HG2 ARG 25 -3.649 -5.678 5.776
182 2HG ARG 25 HG3 ARG 25 -2.804 -6.480 7.139
183 1HD ARG 25 HD2 ARG 25 -4.336 -5.681 8.793
184 2HD ARG 25 HD3 ARG 25 -5.052 -4.462 7.662
185 HE ARG 25 HE ARG 25 -5.793 -6.443 6.221
186 1HH1 ARG 25 HH22 ARG 25 -5.512 -6.805 9.781
187 2HH1 ARG 25 HH21 ARG 25 -6.747 -8.016 9.874
188 1HH2 ARG 25 HH12 ARG 25 -7.436 -8.068 6.392
189 2HH2 ARG 25 HH11 ARG 25 -7.849 -8.737 7.937
190 H GLY 26 HN GLY 26 -0.732 -2.000 5.162
191 1HA GLY 26 HA1 GLY 26 0.050 -3.224 2.863
192 2HA GLY 26 HA2 GLY 26 -1.331 -2.119 2.419
193 H LYS 27 HN LYS 27 1.991 -2.361 3.100
194 HA LYS 27 HA LYS 27 2.399 0.363 4.025
195 1HB LYS 27 HB2 LYS 27 4.314 -2.064 4.157
196 2HB LYS 27 HB3 LYS 27 4.421 -0.509 5.059
197 1HG LYS 27 HG2 LYS 27 2.261 -1.197 6.257
198 2HG LYS 27 HG3 LYS 27 2.346 -2.769 5.393
199 1HD LYS 27 HD2 LYS 27 4.677 -3.108 6.379
200 2HD LYS 27 HD3 LYS 27 4.391 -1.664 7.407
201 1HE LYS 27 HE2 LYS 27 2.689 -4.265 7.374
202 2HE LYS 27 HE3 LYS 27 3.890 -3.791 8.644
203 1HZ LYS 27 HZ2 LYS 27 2.530 -1.876 9.137
204 2HZ LYS 27 HZ3 LYS 27 1.405 -2.321 7.945
205 3HZ LYS 27 HZ1 LYS 27 1.646 -3.319 9.298
206 H CYS 28 HN CYS 28 5.339 -0.104 3.257
207 HA CYS 28 HA CYS 28 5.324 -0.573 0.433
208 1HB CYS 28 HB2 CYS 28 6.253 1.748 -0.195
209 2HB CYS 28 HB3 CYS 28 4.546 1.634 0.247
210 H MET 29 HN MET 29 7.526 -0.075 -0.502
211 HA MET 29 HA MET 29 9.660 -0.958 1.253
212 1HB MET 29 HB2 MET 29 8.895 -1.989 -1.037
213 2HB MET 29 HB3 MET 29 9.845 -0.701 -1.791
214 1HG MET 29 HG2 MET 29 10.886 -2.710 0.335
215 2HG MET 29 HG3 MET 29 10.852 -3.040 -1.414
216 1HE MET 29 HE2 MET 29 12.323 -0.560 1.343
217 2HE MET 29 HE3 MET 29 13.062 -2.197 1.393
218 3HE MET 29 HE1 MET 29 14.058 -0.772 0.934
219 H ASN 30 HN ASN 30 11.130 0.631 -1.213
220 HA ASN 30 HA ASN 30 11.558 3.030 0.311
221 1HB ASN 30 HB2 ASN 30 13.370 3.538 -1.316
222 2HB ASN 30 HB3 ASN 30 13.517 2.003 -0.417
223 1HD2 ASN 30 HD22 ASN 30 14.673 0.989 -3.661
224 2HD2 ASN 30 HD21 ASN 30 15.166 1.806 -2.213
225 H LYS 31 HN LYS 31 9.910 2.224 -2.706
226 HA LYS 31 HA LYS 31 9.220 5.056 -3.139
227 1HB LYS 31 HB2 LYS 31 10.689 3.157 -5.023
228 2HB LYS 31 HB3 LYS 31 9.842 4.581 -5.668
229 1HG LYS 31 HG2 LYS 31 12.094 4.658 -3.629
230 2HG LYS 31 HG3 LYS 31 12.257 4.982 -5.389
231 1HD LYS 31 HD2 LYS 31 10.522 6.686 -3.473
232 2HD LYS 31 HD3 LYS 31 12.249 6.977 -3.810
233 1HE LYS 31 HE2 LYS 31 11.017 8.504 -5.198
234 2HE LYS 31 HE3 LYS 31 11.727 7.245 -6.286
235 1HZ LYS 31 HZ3 LYS 31 8.919 7.364 -5.304
236 2HZ LYS 31 HZ1 LYS 31 9.473 7.772 -6.858
237 3HZ LYS 31 HZ2 LYS 31 9.572 6.166 -6.317
238 H LYS 32 HN LYS 32 7.844 1.770 -3.126
239 HA LYS 32 HA LYS 32 5.562 3.037 -4.398
240 1HB LYS 32 HB2 LYS 32 5.100 1.523 -5.980
241 2HB LYS 32 HB3 LYS 32 6.858 1.744 -6.192
242 1HG LYS 32 HG2 LYS 32 7.241 -0.404 -4.861
243 2HG LYS 32 HG3 LYS 32 5.449 -0.621 -4.789
244 1HD LYS 32 HD2 LYS 32 5.394 -0.431 -7.301
245 2HD LYS 32 HD3 LYS 32 7.190 -0.615 -7.272
246 1HE LYS 32 HE2 LYS 32 6.933 -2.857 -6.117
247 2HE LYS 32 HE3 LYS 32 5.139 -2.622 -6.051
248 1HZ LYS 32 HZ3 LYS 32 5.099 -2.610 -8.443
249 2HZ LYS 32 HZ1 LYS 32 6.781 -2.844 -8.516
250 3HZ LYS 32 HZ2 LYS 32 5.783 -4.044 -7.845
251 1HN ABA 33 HN ABA 33 3.614 2.186 -3.874
252 HA ABA 33 HA ABA 33 3.267 1.104 -1.288
253 1HB ABA 33 HB3 ABA 33 1.453 1.935 -3.583
254 2HB ABA 33 HB2 ABA 33 1.866 2.859 -2.125
255 1HG ABA 33 HG1 ABA 33 0.732 1.155 -0.693
256 2HG ABA 33 HG2 ABA 33 -0.388 1.958 -1.878
257 3HG ABA 33 HG3 ABA 33 0.158 0.271 -2.160
258 H ARG 34 HN ARG 34 2.745 -0.960 -0.723
259 HA ARG 34 HA ARG 34 2.204 -2.985 -2.791
260 1HB ARG 34 HB2 ARG 34 4.533 -2.854 -1.247
261 2HB ARG 34 HB3 ARG 34 3.525 -3.946 -0.259
262 1HG ARG 34 HG2 ARG 34 3.044 -5.239 -2.438
263 2HG ARG 34 HG3 ARG 34 4.306 -4.243 -3.232
264 1HD ARG 34 HD2 ARG 34 4.713 -6.129 -0.804
265 2HD ARG 34 HD3 ARG 34 5.175 -6.464 -2.530
266 HE ARG 34 HE ARG 34 6.282 -3.970 -1.282
267 1HH1 ARG 34 HH22 ARG 34 6.869 -7.403 -2.114
268 2HH1 ARG 34 HH21 ARG 34 8.573 -7.315 -1.812
269 1HH2 ARG 34 HH12 ARG 34 8.566 -3.887 -0.877
270 2HH2 ARG 34 HH11 ARG 34 9.547 -5.297 -1.101
271 H CYS 35 HN CYS 35 1.407 -5.010 -1.027
272 HA CYS 35 HA CYS 35 -0.533 -3.891 0.768
273 1HB CYS 35 HB2 CYS 35 -1.473 -4.197 -1.768
274 2HB CYS 35 HB3 CYS 35 -1.753 -5.858 -1.213
275 H TYR 36 HN TYR 36 -1.135 -5.328 2.282
276 HA TYR 36 HA TYR 36 0.485 -7.779 2.563
277 1HB TYR 36 HB2 TYR 36 0.663 -5.125 4.121
278 2HB TYR 36 HB3 TYR 36 1.195 -6.658 4.916
279 HD1 TYR 36 HD2 TYR 36 2.732 -8.174 3.156
280 HD2 TYR 36 HD1 TYR 36 2.398 -3.908 3.327
281 HE1 TYR 36 HE2 TYR 36 5.024 -7.955 2.227
282 HE2 TYR 36 HE1 TYR 36 4.666 -3.665 2.400
283 HH TYR 36 HH TYR 36 6.671 -6.555 1.628
284 H SER 37 HN SER 37 -1.902 -8.325 2.154
285 HA SER 37 HA SER 37 -3.655 -7.923 4.453
286 1HB SER 37 HB2 SER 37 -4.517 -7.626 2.108
287 2HB SER 37 HB3 SER 37 -4.192 -9.366 1.793
288 HG SER 37 HG SER 37 -6.326 -8.939 2.424
No H/Q in entry = 288
Start of MODEL 6
1 HA PCA 1 HA PGL 1 -3.175 -8.236 -5.172
2 1HB PCA 1 HB2 PGL 1 -2.618 -8.561 -2.158
3 2HB PCA 1 HB3 PGL 1 -4.179 -8.763 -3.042
4 1HG PCA 1 HG2 PGL 1 -2.525 -10.886 -2.239
5 2HG PCA 1 HG3 PGL 1 -3.540 -10.976 -3.751
6 HN PCA 1 HN PGL 1 -0.681 -8.871 -5.340
7 H PHE 2 HN PHE 2 -0.531 -7.107 -5.592
8 HA PHE 2 HA PHE 2 -0.142 -4.967 -3.648
9 1HB PHE 2 HB2 PHE 2 1.678 -5.801 -6.001
10 2HB PHE 2 HB3 PHE 2 2.115 -4.778 -4.579
11 HD1 PHE 2 HD1 PHE 2 1.880 -5.903 -2.232
12 HD2 PHE 2 HD2 PHE 2 2.013 -8.099 -5.921
13 HE1 PHE 2 HE1 PHE 2 2.527 -7.952 -0.997
14 HE2 PHE 2 HE2 PHE 2 2.661 -10.138 -4.687
15 HZ PHE 2 HZ PHE 2 2.916 -10.070 -2.219
16 H THR 3 HN THR 3 0.452 -2.786 -4.477
17 HA THR 3 HA THR 3 -1.035 -1.992 -6.888
18 HB THR 3 HB THR 3 -1.114 0.251 -5.938
19 HG1 THR 3 HG1 THR 3 -0.394 0.567 -3.813
20 1HG2 THR 3 HG22 THR 3 -2.874 -1.521 -5.345
21 2HG2 THR 3 HG23 THR 3 -1.994 -1.807 -3.797
22 3HG2 THR 3 HG21 THR 3 -2.697 -0.193 -4.124
23 H ASN 4 HN ASN 4 0.171 0.241 -7.718
24 HA ASN 4 HA ASN 4 3.054 -0.002 -7.740
25 1HB ASN 4 HB2 ASN 4 3.038 0.078 -10.335
26 2HB ASN 4 HB3 ASN 4 2.722 -1.496 -9.562
27 1HD2 ASN 4 HD22 ASN 4 -0.243 0.307 -11.842
28 2HD2 ASN 4 HD21 ASN 4 1.171 1.195 -11.386
29 H VAL 5 HN VAL 5 1.528 1.781 -6.371
30 HA VAL 5 HA VAL 5 1.647 4.288 -7.885
31 HB VAL 5 HB VAL 5 1.069 4.266 -4.909
32 1HG1 VAL 5 HG13 VAL 5 -0.146 5.684 -7.384
33 2HG1 VAL 5 HG11 VAL 5 -0.561 6.001 -5.658
34 3HG1 VAL 5 HG12 VAL 5 1.080 6.397 -6.271
35 1HG2 VAL 5 HG22 VAL 5 -0.824 3.074 -7.026
36 2HG2 VAL 5 HG23 VAL 5 -0.176 2.299 -5.514
37 3HG2 VAL 5 HG21 VAL 5 -1.322 3.680 -5.408
38 H SER 6 HN SER 6 2.796 6.099 -6.179
39 HA SER 6 HA SER 6 5.398 4.960 -5.337
40 1HB SER 6 HB2 SER 6 6.275 7.354 -5.491
41 2HB SER 6 HB3 SER 6 5.964 6.476 -7.012
42 HG SER 6 HG SER 6 3.946 7.542 -7.124
43 H CYS 7 HN CYS 7 5.967 5.116 -3.253
44 HA CYS 7 HA CYS 7 3.957 6.359 -1.432
45 1HB CYS 7 HB2 CYS 7 4.322 4.887 0.214
46 2HB CYS 7 HB3 CYS 7 4.455 3.882 -1.221
47 H THR 8 HN THR 8 4.884 7.205 0.678
48 HA THR 8 HA THR 8 7.615 8.255 0.494
49 HB THR 8 HB THR 8 6.946 10.228 1.900
50 HG1 THR 8 HG1 THR 8 4.782 10.905 1.580
51 1HG2 THR 8 HG21 THR 8 7.532 10.402 -0.516
52 2HG2 THR 8 HG22 THR 8 5.816 10.093 -0.975
53 3HG2 THR 8 HG23 THR 8 6.247 11.583 -0.062
54 H THR 9 HN THR 9 4.754 7.586 2.639
55 HA THR 9 HA THR 9 6.569 6.215 4.523
56 HB THR 9 HB THR 9 5.033 7.078 6.369
57 HG1 THR 9 HG1 THR 9 3.961 8.975 5.916
58 1HG2 THR 9 HG21 THR 9 7.371 7.904 5.931
59 2HG2 THR 9 HG22 THR 9 6.698 9.191 4.855
60 3HG2 THR 9 HG23 THR 9 6.281 9.166 6.610
61 H SER 10 HN SER 10 5.589 4.625 5.808
62 HA SER 10 HA SER 10 3.257 3.222 4.794
63 1HB SER 10 HB2 SER 10 5.168 1.801 5.199
64 2HB SER 10 HB3 SER 10 5.470 2.543 6.814
65 HG SER 10 HG SER 10 4.503 0.516 6.910
66 H LYS 11 HN LYS 11 1.745 4.832 5.296
67 HA LYS 11 HA LYS 11 0.395 4.777 7.692
68 1HB LYS 11 HB2 LYS 11 2.176 6.135 8.740
69 2HB LYS 11 HB3 LYS 11 2.226 7.246 7.337
70 1HG LYS 11 HG2 LYS 11 0.036 8.178 7.927
71 2HG LYS 11 HG3 LYS 11 -0.233 6.904 9.173
72 1HD LYS 11 HD2 LYS 11 1.527 7.829 10.590
73 2HD LYS 11 HD3 LYS 11 2.108 8.907 9.277
74 1HE LYS 11 HE2 LYS 11 0.779 10.183 10.989
75 2HE LYS 11 HE3 LYS 11 0.035 10.244 9.345
76 1HZ LYS 11 HZ1 LYS 11 -1.479 8.514 10.005
77 2HZ LYS 11 HZ2 LYS 11 -0.793 8.439 11.557
78 3HZ LYS 11 HZ3 LYS 11 -1.581 9.858 11.045
79 H GLU 12 HN GLU 12 1.542 6.708 4.899
80 HA GLU 12 HA GLU 12 -0.707 8.153 4.364
81 1HB GLU 12 HB2 GLU 12 1.863 8.360 3.818
82 2HB GLU 12 HB3 GLU 12 1.506 7.454 2.335
83 1HG GLU 12 HG2 GLU 12 -0.310 9.266 1.846
84 2HG GLU 12 HG3 GLU 12 0.314 10.112 3.321
85 1HN ABA 13 HN ABA 13 0.423 5.046 3.059
86 HA ABA 13 HA ABA 13 -1.540 5.083 0.880
87 1HB ABA 13 HB3 ABA 13 0.805 5.079 0.247
88 2HB ABA 13 HB2 ABA 13 -0.016 3.599 -0.272
89 1HG ABA 13 HG1 ABA 13 2.283 3.193 0.546
90 2HG ABA 13 HG2 ABA 13 1.856 3.849 2.186
91 3HG ABA 13 HG3 ABA 13 1.096 2.312 1.577
92 H TRP 14 HN TRP 14 -2.337 4.392 3.598
93 HA TRP 14 HA TRP 14 -2.985 1.577 3.545
94 1HB TRP 14 HB2 TRP 14 -3.457 3.867 5.528
95 2HB TRP 14 HB3 TRP 14 -4.220 2.253 5.760
96 HD1 TRP 14 HD1 TRP 14 -0.423 3.031 4.835
97 HE1 TRP 14 HE1 TRP 14 0.938 1.422 6.202
98 HE3 TRP 14 HE3 TRP 14 -4.172 1.178 7.776
99 HZ2 TRP 14 HZ2 TRP 14 0.546 -0.361 8.429
100 HZ3 TRP 14 HZ3 TRP 14 -3.620 -0.518 9.482
101 HH2 TRP 14 HH2 TRP 14 -1.301 -1.303 9.778
102 H SER 15 HN SER 15 -4.593 4.648 2.628
103 HA SER 15 HA SER 15 -7.189 3.412 2.344
104 1HB SER 15 HB2 SER 15 -7.906 5.740 1.703
105 2HB SER 15 HB3 SER 15 -7.161 5.633 3.329
106 HG SER 15 HG SER 15 -6.407 7.384 2.172
107 H VAL 16 HN VAL 16 -4.390 3.213 0.660
108 HA VAL 16 HA VAL 16 -5.574 3.234 -2.032
109 HB VAL 16 HB VAL 16 -2.681 2.754 -1.093
110 1HG1 VAL 16 HG12 VAL 16 -3.902 3.220 -3.905
111 2HG1 VAL 16 HG13 VAL 16 -2.142 3.169 -3.514
112 3HG1 VAL 16 HG11 VAL 16 -3.138 1.692 -3.315
113 1HG2 VAL 16 HG23 VAL 16 -4.072 5.275 -2.218
114 2HG2 VAL 16 HG21 VAL 16 -3.409 5.074 -0.551
115 3HG2 VAL 16 HG22 VAL 16 -2.298 5.087 -1.959
116 H CYS 17 HN CYS 17 -4.359 0.978 0.529
117 HA CYS 17 HA CYS 17 -4.959 -1.368 -0.911
118 1HB CYS 17 HB2 CYS 17 -4.475 -0.612 1.994
119 2HB CYS 17 HB3 CYS 17 -5.093 -2.251 1.655
120 H GLN 18 HN GLN 18 -7.119 0.951 0.677
121 HA GLN 18 HA GLN 18 -9.277 -0.875 1.093
122 1HB GLN 18 HB2 GLN 18 -8.603 1.141 2.558
123 2HB GLN 18 HB3 GLN 18 -9.232 2.189 1.265
124 1HG GLN 18 HG2 GLN 18 -11.407 0.517 1.575
125 2HG GLN 18 HG3 GLN 18 -10.638 0.256 3.165
126 1HE2 GLN 18 HE22 GLN 18 -11.886 3.387 4.425
127 2HE2 GLN 18 HE21 GLN 18 -11.215 1.826 4.751
128 H ARG 19 HN ARG 19 -8.340 1.726 -1.186
129 HA ARG 19 HA ARG 19 -10.850 1.870 -2.550
130 1HB ARG 19 HB2 ARG 19 -8.104 3.153 -2.938
131 2HB ARG 19 HB3 ARG 19 -9.439 3.477 -4.094
132 1HG ARG 19 HG2 ARG 19 -9.679 3.984 -1.075
133 2HG ARG 19 HG3 ARG 19 -9.086 5.201 -2.249
134 1HD ARG 19 HD2 ARG 19 -11.863 3.836 -2.344
135 2HD ARG 19 HD3 ARG 19 -11.531 5.478 -1.671
136 HE ARG 19 HE ARG 19 -11.515 4.627 -4.554
137 1HH1 ARG 19 HH12 ARG 19 -10.805 7.261 -2.228
138 2HH1 ARG 19 HH11 ARG 19 -10.685 8.476 -3.454
139 1HH2 ARG 19 HH22 ARG 19 -11.360 6.281 -6.171
140 2HH2 ARG 19 HH21 ARG 19 -11.003 7.911 -5.720
141 H LEU 20 HN LEU 20 -7.986 -0.060 -2.966
142 HA LEU 20 HA LEU 20 -8.472 -0.784 -5.744
143 1HB LEU 20 HB2 LEU 20 -6.286 -0.983 -3.719
144 2HB LEU 20 HB3 LEU 20 -6.396 -2.416 -4.790
145 HG LEU 20 HG LEU 20 -4.809 -0.795 -5.523
146 1HD1 LEU 20 HD13 LEU 20 -5.855 -2.353 -7.149
147 2HD1 LEU 20 HD11 LEU 20 -7.113 -1.124 -7.547
148 3HD1 LEU 20 HD12 LEU 20 -5.384 -0.800 -7.937
149 1HD2 LEU 20 HD21 LEU 20 -5.848 1.364 -4.867
150 2HD2 LEU 20 HD22 LEU 20 -5.366 1.355 -6.603
151 3HD2 LEU 20 HD23 LEU 20 -7.099 1.172 -6.152
152 H HIS 21 HN HIS 21 -7.914 -2.548 -2.651
153 HA HIS 21 HA HIS 21 -9.667 -4.721 -3.521
154 1HB HIS 21 HB2 HIS 21 -7.541 -4.549 -1.308
155 2HB HIS 21 HB3 HIS 21 -8.482 -6.026 -1.763
156 HD1 HIS 21 HD1 HIS 21 -8.020 -6.833 -4.373
157 HD2 HIS 21 HD2 HIS 21 -5.309 -4.025 -2.836
158 HE1 HIS 21 HE1 HIS 21 -5.953 -6.820 -5.873
159 H ASN 22 HN ASN 22 -9.104 -4.528 -0.191
160 HA ASN 22 HA ASN 22 -11.202 -2.981 0.755
161 1HB ASN 22 HB2 ASN 22 -12.932 -4.791 1.387
162 2HB ASN 22 HB3 ASN 22 -12.901 -4.286 -0.320
163 1HD2 ASN 22 HD22 ASN 22 -12.198 -8.221 0.655
164 2HD2 ASN 22 HD21 ASN 22 -12.327 -7.016 1.893
165 H THR 23 HN THR 23 -8.800 -2.974 1.744
166 HA THR 23 HA THR 23 -9.052 -4.400 4.234
167 HB THR 23 HB THR 23 -7.856 -5.978 2.610
168 HG1 THR 23 HG1 THR 23 -7.848 -6.192 4.812
169 1HG2 THR 23 HG21 THR 23 -6.314 -4.265 1.547
170 2HG2 THR 23 HG22 THR 23 -5.448 -4.109 3.130
171 3HG2 THR 23 HG23 THR 23 -5.460 -5.678 2.272
172 H SER 24 HN SER 24 -6.595 -3.731 5.343
173 HA SER 24 HA SER 24 -6.538 -0.807 5.202
174 1HB SER 24 HB2 SER 24 -6.552 -0.671 7.701
175 2HB SER 24 HB3 SER 24 -8.104 -1.246 7.010
176 HG SER 24 HG SER 24 -7.549 -2.473 8.751
177 H ARG 25 HN ARG 25 -5.004 -3.974 5.913
178 HA ARG 25 HA ARG 25 -2.571 -2.721 6.784
179 1HB ARG 25 HB2 ARG 25 -1.707 -4.993 7.259
180 2HB ARG 25 HB3 ARG 25 -3.111 -4.461 8.216
181 1HG ARG 25 HG2 ARG 25 -3.538 -6.215 5.749
182 2HG ARG 25 HG3 ARG 25 -3.013 -6.910 7.322
183 1HD ARG 25 HD2 ARG 25 -5.005 -6.097 8.486
184 2HD ARG 25 HD3 ARG 25 -5.483 -5.109 7.063
185 HE ARG 25 HE ARG 25 -6.056 -7.054 5.804
186 1HH1 ARG 25 HH22 ARG 25 -5.053 -7.969 9.129
187 2HH1 ARG 25 HH21 ARG 25 -5.810 -9.524 9.060
188 1HH2 ARG 25 HH12 ARG 25 -7.058 -9.143 5.753
189 2HH2 ARG 25 HH11 ARG 25 -6.968 -10.198 7.120
190 H GLY 26 HN GLY 26 -0.896 -2.435 5.605
191 1HA GLY 26 HA1 GLY 26 0.149 -3.541 3.392
192 2HA GLY 26 HA2 GLY 26 -1.231 -2.518 2.801
193 H LYS 27 HN LYS 27 1.920 -2.342 2.936
194 HA LYS 27 HA LYS 27 2.237 0.263 4.237
195 1HB LYS 27 HB2 LYS 27 4.157 -2.174 4.162
196 2HB LYS 27 HB3 LYS 27 4.479 -0.599 4.953
197 1HG LYS 27 HG2 LYS 27 2.619 -1.024 6.544
198 2HG LYS 27 HG3 LYS 27 2.273 -2.599 5.775
199 1HD LYS 27 HD2 LYS 27 5.091 -1.978 6.775
200 2HD LYS 27 HD3 LYS 27 3.808 -2.428 7.958
201 1HE LYS 27 HE2 LYS 27 4.712 -4.168 5.563
202 2HE LYS 27 HE3 LYS 27 5.189 -4.398 7.290
203 1HZ LYS 27 HZ2 LYS 27 2.878 -4.721 7.840
204 2HZ LYS 27 HZ3 LYS 27 2.420 -4.516 6.217
205 3HZ LYS 27 HZ1 LYS 27 3.393 -5.834 6.663
206 H CYS 28 HN CYS 28 5.130 -0.199 3.194
207 HA CYS 28 HA CYS 28 4.896 -0.578 0.393
208 1HB CYS 28 HB2 CYS 28 5.546 1.647 -0.401
209 2HB CYS 28 HB3 CYS 28 4.102 1.831 0.585
210 H MET 29 HN MET 29 7.223 0.094 -0.548
211 HA MET 29 HA MET 29 9.154 -1.289 1.152
212 1HB MET 29 HB2 MET 29 8.466 -2.101 -1.200
213 2HB MET 29 HB3 MET 29 9.412 -0.739 -1.842
214 1HG MET 29 HG2 MET 29 11.375 -1.725 -0.351
215 2HG MET 29 HG3 MET 29 10.287 -3.120 -0.082
216 1HE MET 29 HE1 MET 29 13.090 -3.599 -1.000
217 2HE MET 29 HE2 MET 29 11.824 -4.870 -0.899
218 3HE MET 29 HE3 MET 29 12.873 -4.762 -2.352
219 H ASN 30 HN ASN 30 10.944 0.255 -1.058
220 HA ASN 30 HA ASN 30 11.580 2.520 0.601
221 1HB ASN 30 HB2 ASN 30 13.472 2.852 -1.122
222 2HB ASN 30 HB3 ASN 30 13.491 1.430 -0.052
223 1HD2 ASN 30 HD22 ASN 30 13.587 -0.953 -2.624
224 2HD2 ASN 30 HD21 ASN 30 13.774 -0.555 -0.948
225 H LYS 31 HN LYS 31 10.043 2.022 -2.561
226 HA LYS 31 HA LYS 31 9.648 4.938 -2.830
227 1HB LYS 31 HB2 LYS 31 10.726 2.960 -4.896
228 2HB LYS 31 HB3 LYS 31 10.204 4.631 -5.295
229 1HG LYS 31 HG2 LYS 31 11.946 5.601 -3.843
230 2HG LYS 31 HG3 LYS 31 12.466 3.959 -3.357
231 1HD LYS 31 HD2 LYS 31 14.054 4.555 -4.895
232 2HD LYS 31 HD3 LYS 31 12.975 3.463 -5.827
233 1HE LYS 31 HE2 LYS 31 12.902 6.577 -5.921
234 2HE LYS 31 HE3 LYS 31 13.822 5.536 -7.077
235 1HZ LYS 31 HZ3 LYS 31 10.883 5.487 -6.676
236 2HZ LYS 31 HZ1 LYS 31 11.718 6.221 -7.958
237 3HZ LYS 31 HZ2 LYS 31 11.769 4.535 -7.765
238 H LYS 32 HN LYS 32 7.898 1.838 -2.871
239 HA LYS 32 HA LYS 32 5.816 3.138 -4.439
240 1HB LYS 32 HB2 LYS 32 5.531 1.502 -6.095
241 2HB LYS 32 HB3 LYS 32 7.206 2.079 -6.183
242 1HG LYS 32 HG2 LYS 32 7.479 -0.122 -6.548
243 2HG LYS 32 HG3 LYS 32 7.779 -0.064 -4.771
244 1HD LYS 32 HD2 LYS 32 5.878 -1.406 -4.361
245 2HD LYS 32 HD3 LYS 32 4.919 -0.542 -5.606
246 1HE LYS 32 HE2 LYS 32 5.126 -2.888 -6.258
247 2HE LYS 32 HE3 LYS 32 6.007 -1.838 -7.435
248 1HZ LYS 32 HZ3 LYS 32 8.060 -2.400 -6.301
249 2HZ LYS 32 HZ1 LYS 32 7.223 -3.403 -5.214
250 3HZ LYS 32 HZ2 LYS 32 7.251 -3.781 -6.870
251 1HN ABA 33 HN ABA 33 3.752 2.236 -4.127
252 HA ABA 33 HA ABA 33 3.344 1.390 -1.477
253 1HB ABA 33 HB3 ABA 33 1.476 1.982 -3.798
254 2HB ABA 33 HB2 ABA 33 2.049 3.106 -2.520
255 1HG ABA 33 HG1 ABA 33 -0.196 2.415 -1.954
256 2HG ABA 33 HG2 ABA 33 0.215 0.668 -1.999
257 3HG ABA 33 HG3 ABA 33 0.986 1.714 -0.770
258 H ARG 34 HN ARG 34 2.346 -0.527 -0.748
259 HA ARG 34 HA ARG 34 2.093 -2.818 -2.568
260 1HB ARG 34 HB2 ARG 34 3.774 -2.703 0.015
261 2HB ARG 34 HB3 ARG 34 3.224 -4.244 -0.738
262 1HG ARG 34 HG2 ARG 34 4.379 -3.676 -2.837
263 2HG ARG 34 HG3 ARG 34 5.081 -2.199 -2.072
264 1HD ARG 34 HD2 ARG 34 6.351 -3.534 -0.447
265 2HD ARG 34 HD3 ARG 34 5.452 -5.044 -0.931
266 HE ARG 34 HE ARG 34 6.682 -3.949 -3.284
267 1HH1 ARG 34 HH22 ARG 34 7.636 -5.521 -0.212
268 2HH1 ARG 34 HH21 ARG 34 9.004 -6.327 -0.902
269 1HH2 ARG 34 HH12 ARG 34 8.516 -5.054 -4.186
270 2HH2 ARG 34 HH11 ARG 34 9.510 -6.057 -3.183
271 H CYS 35 HN CYS 35 1.224 -4.673 -0.894
272 HA CYS 35 HA CYS 35 -0.569 -3.632 1.042
273 1HB CYS 35 HB2 CYS 35 -1.737 -3.792 -1.418
274 2HB CYS 35 HB3 CYS 35 -1.919 -5.501 -0.954
275 H TYR 36 HN TYR 36 -1.311 -5.454 2.371
276 HA TYR 36 HA TYR 36 0.462 -7.798 2.271
277 1HB TYR 36 HB2 TYR 36 0.481 -5.459 4.244
278 2HB TYR 36 HB3 TYR 36 0.948 -7.083 4.866
279 HD1 TYR 36 HD1 TYR 36 2.594 -8.339 2.931
280 HD2 TYR 36 HD2 TYR 36 2.330 -4.154 3.839
281 HE1 TYR 36 HE1 TYR 36 4.886 -8.009 2.072
282 HE2 TYR 36 HE2 TYR 36 4.627 -3.817 2.995
283 HH TYR 36 HH TYR 36 6.441 -4.770 2.070
284 H SER 37 HN SER 37 -1.876 -8.202 1.527
285 HA SER 37 HA SER 37 -2.934 -9.907 3.482
286 1HB SER 37 HB2 SER 37 -4.176 -7.833 4.269
287 2HB SER 37 HB3 SER 37 -4.781 -7.596 2.590
288 HG SER 37 HG SER 37 -5.219 -9.841 4.274
No H/Q in entry = 288
Start of MODEL 7
1 HA PCA 1 HA PGL 1 3.328 -4.914 -4.360
2 1HB PCA 1 HB2 PGL 1 3.755 -5.507 -7.155
3 2HB PCA 1 HB3 PGL 1 4.921 -4.789 -5.997
4 1HG PCA 1 HG2 PGL 1 4.766 -7.667 -6.934
5 2HG PCA 1 HG3 PGL 1 6.207 -6.689 -6.395
6 HN PCA 1 HN PGL 1 3.548 -7.060 -3.276
7 H PHE 2 HN PHE 2 1.191 -4.591 -4.165
8 HA PHE 2 HA PHE 2 -0.704 -6.083 -5.839
9 1HB PHE 2 HB2 PHE 2 -0.759 -5.424 -2.872
10 2HB PHE 2 HB3 PHE 2 -2.336 -5.357 -3.742
11 HD1 PHE 2 HD2 PHE 2 -3.079 -7.317 -5.117
12 HD2 PHE 2 HD1 PHE 2 0.059 -7.575 -2.190
13 HE1 PHE 2 HE2 PHE 2 -3.457 -9.752 -4.929
14 HE2 PHE 2 HE1 PHE 2 -0.328 -10.013 -1.997
15 HZ PHE 2 HZ PHE 2 -2.088 -11.105 -3.362
16 H THR 3 HN THR 3 0.835 -3.256 -5.178
17 HA THR 3 HA THR 3 -1.051 -1.631 -6.703
18 HB THR 3 HB THR 3 -0.334 0.315 -5.016
19 HG1 THR 3 HG1 THR 3 0.318 -0.289 -3.194
20 1HG2 THR 3 HG21 THR 3 -2.517 -1.728 -4.277
21 2HG2 THR 3 HG22 THR 3 -2.373 -0.053 -3.645
22 3HG2 THR 3 HG23 THR 3 -2.680 -0.316 -5.401
23 H ASN 4 HN ASN 4 0.161 0.279 -7.592
24 HA ASN 4 HA ASN 4 3.048 0.036 -7.682
25 1HB ASN 4 HB2 ASN 4 3.018 0.060 -10.216
26 2HB ASN 4 HB3 ASN 4 2.530 -1.487 -9.465
27 1HD2 ASN 4 HD22 ASN 4 0.197 -1.293 -12.204
28 2HD2 ASN 4 HD21 ASN 4 1.835 -1.706 -11.824
29 H VAL 5 HN VAL 5 1.875 1.824 -6.227
30 HA VAL 5 HA VAL 5 1.692 4.340 -7.741
31 HB VAL 5 HB VAL 5 1.082 4.044 -4.766
32 1HG1 VAL 5 HG11 VAL 5 -0.035 5.794 -7.079
33 2HG1 VAL 5 HG12 VAL 5 -0.574 5.852 -5.361
34 3HG1 VAL 5 HG13 VAL 5 1.087 6.366 -5.790
35 1HG2 VAL 5 HG23 VAL 5 -0.732 3.173 -7.088
36 2HG2 VAL 5 HG21 VAL 5 -0.147 2.203 -5.673
37 3HG2 VAL 5 HG22 VAL 5 -1.297 3.554 -5.420
38 H SER 6 HN SER 6 2.675 6.090 -5.825
39 HA SER 6 HA SER 6 5.429 5.186 -5.251
40 1HB SER 6 HB2 SER 6 6.056 7.664 -5.310
41 2HB SER 6 HB3 SER 6 5.717 6.843 -6.859
42 HG SER 6 HG SER 6 3.875 8.439 -5.407
43 H CYS 7 HN CYS 7 6.017 5.105 -3.255
44 HA CYS 7 HA CYS 7 4.468 6.584 -1.168
45 1HB CYS 7 HB2 CYS 7 3.379 4.559 -1.205
46 2HB CYS 7 HB3 CYS 7 4.839 3.587 -1.208
47 H THR 8 HN THR 8 5.523 7.055 0.675
48 HA THR 8 HA THR 8 8.376 6.456 0.979
49 HB THR 8 HB THR 8 8.646 8.719 2.101
50 HG1 THR 8 HG1 THR 8 6.251 9.216 0.650
51 1HG2 THR 8 HG23 THR 8 9.553 8.130 -0.159
52 2HG2 THR 8 HG21 THR 8 8.022 8.689 -0.929
53 3HG2 THR 8 HG22 THR 8 9.068 9.861 -0.047
54 H THR 9 HN THR 9 5.214 7.303 2.514
55 HA THR 9 HA THR 9 6.173 6.302 5.113
56 HB THR 9 HB THR 9 4.225 7.702 6.026
57 HG1 THR 9 HG1 THR 9 4.423 8.794 3.406
58 1HG2 THR 9 HG22 THR 9 6.635 8.357 6.177
59 2HG2 THR 9 HG23 THR 9 6.523 9.165 4.566
60 3HG2 THR 9 HG21 THR 9 5.545 9.773 5.953
61 H SER 10 HN SER 10 5.109 4.716 6.196
62 HA SER 10 HA SER 10 2.873 3.314 4.973
63 1HB SER 10 HB2 SER 10 4.739 1.968 5.821
64 2HB SER 10 HB3 SER 10 4.573 2.691 7.461
65 HG SER 10 HG SER 10 2.685 1.108 6.041
66 H LYS 11 HN LYS 11 1.340 4.885 5.095
67 HA LYS 11 HA LYS 11 -0.397 5.056 7.209
68 1HB LYS 11 HB2 LYS 11 1.277 6.547 8.329
69 2HB LYS 11 HB3 LYS 11 1.304 7.625 6.904
70 1HG LYS 11 HG2 LYS 11 -1.049 8.266 7.302
71 2HG LYS 11 HG3 LYS 11 -1.228 7.003 8.571
72 1HD LYS 11 HD2 LYS 11 0.715 9.388 8.764
73 2HD LYS 11 HD3 LYS 11 -0.973 9.392 9.390
74 1HE LYS 11 HE2 LYS 11 -0.432 7.457 10.910
75 2HE LYS 11 HE3 LYS 11 1.288 7.501 10.346
76 1HZ LYS 11 HZ2 LYS 11 -0.174 9.714 11.685
77 2HZ LYS 11 HZ3 LYS 11 0.971 8.680 12.395
78 3HZ LYS 11 HZ1 LYS 11 1.442 9.750 11.163
79 H GLU 12 HN GLU 12 1.173 6.584 4.376
80 HA GLU 12 HA GLU 12 -0.954 7.794 3.168
81 1HB GLU 12 HB2 GLU 12 1.711 7.731 2.968
82 2HB GLU 12 HB3 GLU 12 1.427 6.686 1.577
83 1HG GLU 12 HG2 GLU 12 0.224 9.516 2.027
84 2HG GLU 12 HG3 GLU 12 1.723 9.169 1.090
85 1HN ABA 13 HN ABA 13 0.058 4.412 3.009
86 HA ABA 13 HA ABA 13 -1.253 3.837 0.494
87 1HB ABA 13 HB3 ABA 13 -0.105 1.699 0.597
88 2HB ABA 13 HB2 ABA 13 0.294 1.929 2.343
89 1HG ABA 13 HG1 ABA 13 1.393 3.719 0.071
90 2HG ABA 13 HG2 ABA 13 1.794 3.775 1.833
91 3HG ABA 13 HG3 ABA 13 2.217 2.325 0.849
92 H TRP 14 HN TRP 14 -2.486 4.018 3.557
93 HA TRP 14 HA TRP 14 -3.715 1.451 3.782
94 1HB TRP 14 HB2 TRP 14 -3.860 4.005 5.506
95 2HB TRP 14 HB3 TRP 14 -4.679 2.463 5.952
96 HD1 TRP 14 HD1 TRP 14 -0.915 3.165 4.854
97 HE1 TRP 14 HE1 TRP 14 0.460 1.477 6.085
98 HE3 TRP 14 HE3 TRP 14 -4.519 1.369 8.012
99 HZ2 TRP 14 HZ2 TRP 14 0.192 -0.294 8.314
100 HZ3 TRP 14 HZ3 TRP 14 -3.900 -0.407 9.620
101 HH2 TRP 14 HH2 TRP 14 -1.585 -1.282 9.699
102 H SER 15 HN SER 15 -4.726 4.631 2.582
103 HA SER 15 HA SER 15 -7.496 3.856 2.262
104 1HB SER 15 HB2 SER 15 -7.733 6.196 1.327
105 2HB SER 15 HB3 SER 15 -7.158 6.118 3.023
106 HG SER 15 HG SER 15 -5.505 6.448 0.747
107 H VAL 16 HN VAL 16 -4.542 3.321 0.654
108 HA VAL 16 HA VAL 16 -5.621 3.433 -2.046
109 HB VAL 16 HB VAL 16 -2.795 2.775 -1.078
110 1HG1 VAL 16 HG13 VAL 16 -3.961 3.436 -3.874
111 2HG1 VAL 16 HG11 VAL 16 -2.208 3.316 -3.468
112 3HG1 VAL 16 HG12 VAL 16 -3.248 1.859 -3.360
113 1HG2 VAL 16 HG23 VAL 16 -4.059 5.412 -2.078
114 2HG2 VAL 16 HG21 VAL 16 -3.427 5.086 -0.419
115 3HG2 VAL 16 HG22 VAL 16 -2.298 5.124 -1.813
116 H CYS 17 HN CYS 17 -4.710 1.076 0.524
117 HA CYS 17 HA CYS 17 -5.149 -1.249 -1.096
118 1HB CYS 17 HB2 CYS 17 -4.759 -0.570 1.879
119 2HB CYS 17 HB3 CYS 17 -5.269 -2.223 1.450
120 H GLN 18 HN GLN 18 -7.206 1.013 0.683
121 HA GLN 18 HA GLN 18 -9.339 -0.812 1.181
122 1HB GLN 18 HB2 GLN 18 -8.454 0.964 2.745
123 2HB GLN 18 HB3 GLN 18 -9.092 2.218 1.638
124 1HG GLN 18 HG2 GLN 18 -11.421 1.234 1.991
125 2HG GLN 18 HG3 GLN 18 -10.674 -0.018 3.062
126 1HE2 GLN 18 HE22 GLN 18 -10.941 2.096 5.900
127 2HE2 GLN 18 HE21 GLN 18 -11.011 0.510 5.208
128 H ARG 19 HN ARG 19 -8.487 1.793 -1.106
129 HA ARG 19 HA ARG 19 -11.096 1.967 -2.297
130 1HB ARG 19 HB2 ARG 19 -10.384 3.790 -3.496
131 2HB ARG 19 HB3 ARG 19 -9.580 3.898 -1.910
132 1HG ARG 19 HG2 ARG 19 -7.794 4.480 -3.171
133 2HG ARG 19 HG3 ARG 19 -7.541 2.709 -3.188
134 1HD ARG 19 HD2 ARG 19 -7.237 3.574 -5.479
135 2HD ARG 19 HD3 ARG 19 -8.810 2.651 -5.427
136 HE ARG 19 HE ARG 19 -9.169 5.504 -4.823
137 1HH1 ARG 19 HH12 ARG 19 -8.758 3.199 -7.525
138 2HH1 ARG 19 HH11 ARG 19 -9.603 4.188 -8.669
139 1HH2 ARG 19 HH22 ARG 19 -10.301 6.814 -6.381
140 2HH2 ARG 19 HH21 ARG 19 -10.488 6.263 -8.012
141 H LEU 20 HN LEU 20 -8.185 0.072 -2.872
142 HA LEU 20 HA LEU 20 -8.902 -0.654 -5.568
143 1HB LEU 20 HB2 LEU 20 -6.583 -0.084 -5.070
144 2HB LEU 20 HB3 LEU 20 -6.517 -1.320 -3.781
145 HG LEU 20 HG LEU 20 -6.787 -3.115 -5.409
146 1HD1 LEU 20 HD13 LEU 20 -6.780 -0.934 -7.612
147 2HD1 LEU 20 HD11 LEU 20 -6.644 -2.709 -7.899
148 3HD1 LEU 20 HD12 LEU 20 -8.159 -2.027 -7.213
149 1HD2 LEU 20 HD21 LEU 20 -4.524 -2.363 -4.853
150 2HD2 LEU 20 HD22 LEU 20 -4.598 -2.954 -6.554
151 3HD2 LEU 20 HD23 LEU 20 -4.548 -1.181 -6.222
152 H HIS 21 HN HIS 21 -8.457 -2.248 -2.309
153 HA HIS 21 HA HIS 21 -9.974 -4.581 -3.271
154 1HB HIS 21 HB2 HIS 21 -7.656 -4.401 -1.259
155 2HB HIS 21 HB3 HIS 21 -8.605 -5.890 -1.625
156 HD1 HIS 21 HD1 HIS 21 -8.248 -6.814 -4.183
157 HD2 HIS 21 HD2 HIS 21 -5.517 -3.897 -2.898
158 HE1 HIS 21 HE1 HIS 21 -6.199 -6.912 -5.707
159 H ASN 22 HN ASN 22 -9.136 -4.575 -0.036
160 HA ASN 22 HA ASN 22 -11.106 -3.060 1.212
161 1HB ASN 22 HB2 ASN 22 -12.662 -4.983 1.998
162 2HB ASN 22 HB3 ASN 22 -12.917 -4.345 0.359
163 1HD2 ASN 22 HD22 ASN 22 -12.515 -7.421 -1.297
164 2HD2 ASN 22 HD21 ASN 22 -12.971 -5.751 -1.351
165 H THR 23 HN THR 23 -8.671 -2.954 1.818
166 HA THR 23 HA THR 23 -8.260 -4.507 4.218
167 HB THR 23 HB THR 23 -7.108 -6.083 3.084
168 HG1 THR 23 HG1 THR 23 -4.928 -5.701 3.114
169 1HG2 THR 23 HG21 THR 23 -6.202 -4.056 0.963
170 2HG2 THR 23 HG22 THR 23 -5.669 -5.778 1.094
171 3HG2 THR 23 HG23 THR 23 -7.400 -5.401 0.786
172 H SER 24 HN SER 24 -6.540 -3.543 5.502
173 HA SER 24 HA SER 24 -6.160 -0.669 5.026
174 1HB SER 24 HB2 SER 24 -6.214 -0.402 7.546
175 2HB SER 24 HB3 SER 24 -7.787 -0.853 6.814
176 HG SER 24 HG SER 24 -7.310 -2.027 8.673
177 H ARG 25 HN ARG 25 -4.829 -3.853 5.465
178 HA ARG 25 HA ARG 25 -2.390 -2.966 6.717
179 1HB ARG 25 HB2 ARG 25 -1.782 -5.404 6.784
180 2HB ARG 25 HB3 ARG 25 -3.141 -4.869 7.803
181 1HG ARG 25 HG2 ARG 25 -3.692 -6.105 5.062
182 2HG ARG 25 HG3 ARG 25 -3.319 -7.126 6.482
183 1HD ARG 25 HD2 ARG 25 -5.230 -6.475 7.707
184 2HD ARG 25 HD3 ARG 25 -5.507 -4.997 6.697
185 HE ARG 25 HE ARG 25 -5.837 -6.804 4.748
186 1HH1 ARG 25 HH12 ARG 25 -7.170 -6.814 8.070
187 2HH1 ARG 25 HH11 ARG 25 -8.643 -7.604 7.610
188 1HH2 ARG 25 HH22 ARG 25 -7.772 -7.941 4.180
189 2HH2 ARG 25 HH21 ARG 25 -8.988 -8.252 5.374
190 H GLY 26 HN GLY 26 -0.879 -2.192 5.460
191 1HA GLY 26 HA1 GLY 26 0.186 -3.225 3.126
192 2HA GLY 26 HA2 GLY 26 -1.167 -2.091 2.699
193 H LYS 27 HN LYS 27 2.045 -2.120 2.865
194 HA LYS 27 HA LYS 27 2.435 0.447 4.219
195 1HB LYS 27 HB2 LYS 27 4.396 -1.952 4.204
196 2HB LYS 27 HB3 LYS 27 4.538 -0.407 5.118
197 1HG LYS 27 HG2 LYS 27 2.442 -1.124 6.416
198 2HG LYS 27 HG3 LYS 27 2.530 -2.702 5.559
199 1HD LYS 27 HD2 LYS 27 4.842 -3.056 6.475
200 2HD LYS 27 HD3 LYS 27 4.697 -1.506 7.385
201 1HE LYS 27 HE2 LYS 27 2.697 -2.445 8.629
202 2HE LYS 27 HE3 LYS 27 2.885 -4.002 7.725
203 1HZ LYS 27 HZ1 LYS 27 5.094 -4.204 8.667
204 2HZ LYS 27 HZ2 LYS 27 4.885 -2.759 9.539
205 3HZ LYS 27 HZ3 LYS 27 3.899 -4.103 9.872
206 H CYS 28 HN CYS 28 5.325 0.146 3.302
207 HA CYS 28 HA CYS 28 5.222 -0.366 0.495
208 1HB CYS 28 HB2 CYS 28 5.999 1.943 -0.248
209 2HB CYS 28 HB3 CYS 28 4.321 1.838 0.308
210 H MET 29 HN MET 29 7.464 0.234 -0.480
211 HA MET 29 HA MET 29 9.440 -0.926 1.304
212 1HB MET 29 HB2 MET 29 8.605 -1.986 -0.884
213 2HB MET 29 HB3 MET 29 9.573 -0.762 -1.739
214 1HG MET 29 HG2 MET 29 11.607 -1.595 -0.412
215 2HG MET 29 HG3 MET 29 10.540 -2.799 0.380
216 1HE MET 29 HE3 MET 29 9.730 -4.926 -0.526
217 2HE MET 29 HE1 MET 29 8.674 -4.063 -1.695
218 3HE MET 29 HE2 MET 29 9.699 -5.427 -2.249
219 H ASN 30 HN ASN 30 11.047 0.385 -1.228
220 HA ASN 30 HA ASN 30 11.962 2.668 0.256
221 1HB ASN 30 HB2 ASN 30 13.685 2.917 -1.533
222 2HB ASN 30 HB3 ASN 30 13.680 1.360 -0.656
223 1HD2 ASN 30 HD22 ASN 30 14.391 0.464 -4.130
224 2HD2 ASN 30 HD21 ASN 30 15.132 1.333 -2.827
225 H LYS 31 HN LYS 31 10.163 2.148 -2.751
226 HA LYS 31 HA LYS 31 9.700 5.056 -3.013
227 1HB LYS 31 HB2 LYS 31 10.724 3.106 -5.148
228 2HB LYS 31 HB3 LYS 31 10.173 4.778 -5.489
229 1HG LYS 31 HG2 LYS 31 11.933 5.705 -4.019
230 2HG LYS 31 HG3 LYS 31 12.591 4.050 -3.760
231 1HD LYS 31 HD2 LYS 31 12.926 3.766 -6.189
232 2HD LYS 31 HD3 LYS 31 12.230 5.409 -6.487
233 1HE LYS 31 HE2 LYS 31 14.125 6.399 -5.058
234 2HE LYS 31 HE3 LYS 31 14.876 4.752 -5.012
235 1HZ LYS 31 HZ2 LYS 31 14.939 4.805 -7.431
236 2HZ LYS 31 HZ3 LYS 31 14.263 6.360 -7.436
237 3HZ LYS 31 HZ1 LYS 31 15.797 6.106 -6.749
238 H LYS 32 HN LYS 32 8.009 1.962 -2.914
239 HA LYS 32 HA LYS 32 5.906 3.117 -4.590
240 1HB LYS 32 HB2 LYS 32 5.641 1.330 -6.007
241 2HB LYS 32 HB3 LYS 32 7.354 1.826 -6.142
242 1HG LYS 32 HG2 LYS 32 7.972 -0.058 -4.519
243 2HG LYS 32 HG3 LYS 32 6.276 -0.654 -4.662
244 1HD LYS 32 HD2 LYS 32 6.559 -0.730 -7.158
245 2HD LYS 32 HD3 LYS 32 8.298 -0.344 -6.940
246 1HE LYS 32 HE2 LYS 32 6.817 -2.841 -5.815
247 2HE LYS 32 HE3 LYS 32 7.979 -2.826 -7.207
248 1HZ LYS 32 HZ1 LYS 32 9.694 -2.093 -5.689
249 2HZ LYS 32 HZ2 LYS 32 8.603 -2.112 -4.388
250 3HZ LYS 32 HZ3 LYS 32 9.002 -3.558 -5.180
251 1HN ABA 33 HN ABA 33 3.854 2.167 -4.251
252 HA ABA 33 HA ABA 33 3.316 1.479 -1.569
253 1HB ABA 33 HB3 ABA 33 1.622 1.697 -4.123
254 2HB ABA 33 HB2 ABA 33 2.057 3.045 -3.006
255 1HG ABA 33 HG1 ABA 33 0.408 0.710 -1.927
256 2HG ABA 33 HG2 ABA 33 0.701 2.371 -1.315
257 3HG ABA 33 HG3 ABA 33 -0.303 2.138 -2.780
258 H ARG 34 HN ARG 34 2.624 -0.463 -0.712
259 HA ARG 34 HA ARG 34 2.265 -2.819 -2.448
260 1HB ARG 34 HB2 ARG 34 3.953 -2.560 0.108
261 2HB ARG 34 HB3 ARG 34 3.169 -4.108 -0.319
262 1HG ARG 34 HG2 ARG 34 4.298 -3.794 -2.681
263 2HG ARG 34 HG3 ARG 34 5.378 -2.647 -1.824
264 1HD ARG 34 HD2 ARG 34 6.360 -4.953 -1.946
265 2HD ARG 34 HD3 ARG 34 6.017 -4.510 -0.213
266 HE ARG 34 HE ARG 34 3.665 -5.756 -1.113
267 1HH1 ARG 34 HH12 ARG 34 7.084 -6.786 -0.894
268 2HH1 ARG 34 HH11 ARG 34 6.689 -8.448 -0.604
269 1HH2 ARG 34 HH22 ARG 34 3.168 -7.963 -0.723
270 2HH2 ARG 34 HH21 ARG 34 4.430 -9.129 -0.503
271 H CYS 35 HN CYS 35 1.023 -4.519 -1.222
272 HA CYS 35 HA CYS 35 -0.569 -3.547 0.969
273 1HB CYS 35 HB2 CYS 35 -1.848 -3.489 -1.417
274 2HB CYS 35 HB3 CYS 35 -2.046 -5.232 -1.097
275 H TYR 36 HN TYR 36 -1.282 -5.383 2.235
276 HA TYR 36 HA TYR 36 0.623 -7.632 2.085
277 1HB TYR 36 HB2 TYR 36 0.475 -5.245 3.954
278 2HB TYR 36 HB3 TYR 36 0.943 -6.815 4.721
279 HD1 TYR 36 HD2 TYR 36 2.677 -8.186 3.103
280 HD2 TYR 36 HD1 TYR 36 2.283 -3.935 3.409
281 HE1 TYR 36 HE2 TYR 36 5.077 -7.919 2.508
282 HE2 TYR 36 HE1 TYR 36 4.643 -3.641 2.760
283 HH TYR 36 HH TYR 36 6.594 -4.671 2.253
284 H SER 37 HN SER 37 -1.825 -8.064 1.364
285 HA SER 37 HA SER 37 -2.420 -10.072 3.300
286 1HB SER 37 HB2 SER 37 -4.920 -9.723 3.312
287 2HB SER 37 HB3 SER 37 -4.021 -8.466 4.230
288 HG SER 37 HG SER 37 -4.944 -8.236 1.563
No H/Q in entry = 288
Start of MODEL 8
1 HA PCA 1 HA PGL 1 -3.560 -6.645 -2.986
2 1HB PCA 1 HB2 PGL 1 -2.125 -8.435 -1.265
3 2HB PCA 1 HB3 PGL 1 -3.898 -8.303 -1.452
4 1HG PCA 1 HG2 PGL 1 -2.048 -10.360 -2.708
5 2HG PCA 1 HG3 PGL 1 -3.776 -10.528 -2.151
6 HN PCA 1 HN PGL 1 -3.543 -7.719 -5.154
7 H PHE 2 HN PHE 2 -2.070 -6.051 -5.197
8 HA PHE 2 HA PHE 2 0.360 -5.037 -4.018
9 1HB PHE 2 HB2 PHE 2 0.236 -6.776 -6.591
10 2HB PHE 2 HB3 PHE 2 1.545 -5.571 -6.307
11 HD1 PHE 2 HD1 PHE 2 2.857 -5.719 -4.092
12 HD2 PHE 2 HD2 PHE 2 0.482 -8.944 -5.654
13 HE1 PHE 2 HE1 PHE 2 4.090 -7.319 -2.665
14 HE2 PHE 2 HE2 PHE 2 1.712 -10.543 -4.224
15 HZ PHE 2 HZ PHE 2 3.516 -9.733 -2.724
16 H THR 3 HN THR 3 0.611 -2.959 -4.658
17 HA THR 3 HA THR 3 -1.144 -1.896 -6.761
18 HB THR 3 HB THR 3 -1.818 -0.165 -5.602
19 HG1 THR 3 HG1 THR 3 0.255 0.084 -3.783
20 1HG2 THR 3 HG21 THR 3 -2.290 -2.166 -4.040
21 2HG2 THR 3 HG22 THR 3 -0.803 -1.742 -3.126
22 3HG2 THR 3 HG23 THR 3 -2.183 -0.600 -3.179
23 H ASN 4 HN ASN 4 -0.061 0.190 -7.764
24 HA ASN 4 HA ASN 4 2.846 0.114 -7.792
25 1HB ASN 4 HB2 ASN 4 2.830 0.258 -10.349
26 2HB ASN 4 HB3 ASN 4 2.449 -1.353 -9.686
27 1HD2 ASN 4 HD22 ASN 4 -0.845 -1.563 -11.020
28 2HD2 ASN 4 HD21 ASN 4 0.281 -2.208 -9.871
29 H VAL 5 HN VAL 5 1.176 1.683 -6.374
30 HA VAL 5 HA VAL 5 1.188 4.345 -7.599
31 HB VAL 5 HB VAL 5 0.108 3.059 -5.039
32 1HG1 VAL 5 HG13 VAL 5 0.217 6.078 -5.661
33 2HG1 VAL 5 HG11 VAL 5 -0.874 5.313 -4.446
34 3HG1 VAL 5 HG12 VAL 5 0.901 5.200 -4.227
35 1HG2 VAL 5 HG22 VAL 5 -1.227 4.483 -7.425
36 2HG2 VAL 5 HG23 VAL 5 -1.241 2.712 -7.076
37 3HG2 VAL 5 HG21 VAL 5 -2.076 3.850 -5.968
38 H SER 6 HN SER 6 2.444 6.059 -6.208
39 HA SER 6 HA SER 6 5.018 4.952 -5.349
40 1HB SER 6 HB2 SER 6 5.816 7.355 -5.470
41 2HB SER 6 HB3 SER 6 5.327 6.588 -7.010
42 HG SER 6 HG SER 6 3.694 8.298 -5.448
43 H CYS 7 HN CYS 7 5.875 5.232 -3.324
44 HA CYS 7 HA CYS 7 4.125 6.489 -1.242
45 1HB CYS 7 HB2 CYS 7 3.419 4.306 -1.204
46 2HB CYS 7 HB3 CYS 7 5.031 3.613 -1.185
47 H THR 8 HN THR 8 5.162 7.199 0.552
48 HA THR 8 HA THR 8 8.101 7.215 0.661
49 HB THR 8 HB THR 8 7.918 9.505 1.765
50 HG1 THR 8 HG1 THR 8 5.393 9.404 0.463
51 1HG2 THR 8 HG22 THR 8 8.805 9.094 -0.544
52 2HG2 THR 8 HG23 THR 8 7.142 9.263 -1.218
53 3HG2 THR 8 HG21 THR 8 7.938 10.666 -0.414
54 H THR 9 HN THR 9 5.020 7.661 2.517
55 HA THR 9 HA THR 9 6.342 6.694 4.970
56 HB THR 9 HB THR 9 4.454 7.914 6.152
57 HG1 THR 9 HG1 THR 9 3.096 8.112 4.316
58 1HG2 THR 9 HG21 THR 9 6.781 8.808 5.925
59 2HG2 THR 9 HG22 THR 9 6.322 9.612 4.374
60 3HG2 THR 9 HG23 THR 9 5.533 10.109 5.918
61 H SER 10 HN SER 10 5.388 5.078 6.212
62 HA SER 10 HA SER 10 3.285 3.480 4.979
63 1HB SER 10 HB2 SER 10 3.834 1.784 6.747
64 2HB SER 10 HB3 SER 10 5.166 2.193 5.620
65 HG SER 10 HG SER 10 4.846 3.266 8.216
66 H LYS 11 HN LYS 11 1.706 5.008 5.199
67 HA LYS 11 HA LYS 11 -0.087 4.937 7.293
68 1HB LYS 11 HB2 LYS 11 1.739 7.383 7.321
69 2HB LYS 11 HB3 LYS 11 -0.007 7.641 7.630
70 1HG LYS 11 HG2 LYS 11 0.134 7.015 9.733
71 2HG LYS 11 HG3 LYS 11 0.766 5.408 9.265
72 1HD LYS 11 HD2 LYS 11 3.100 6.416 9.153
73 2HD LYS 11 HD3 LYS 11 2.421 7.948 9.806
74 1HE LYS 11 HE2 LYS 11 1.669 6.736 11.882
75 2HE LYS 11 HE3 LYS 11 2.289 5.177 11.198
76 1HZ LYS 11 HZ3 LYS 11 4.492 6.126 11.174
77 2HZ LYS 11 HZ1 LYS 11 3.914 7.584 11.829
78 3HZ LYS 11 HZ2 LYS 11 3.822 6.150 12.735
79 H GLU 12 HN GLU 12 1.340 6.593 4.446
80 HA GLU 12 HA GLU 12 -0.858 7.645 3.257
81 1HB GLU 12 HB2 GLU 12 1.792 7.631 2.968
82 2HB GLU 12 HB3 GLU 12 1.506 6.498 1.656
83 1HG GLU 12 HG2 GLU 12 0.191 9.300 1.925
84 2HG GLU 12 HG3 GLU 12 1.723 8.980 1.040
85 1HN ABA 13 HN ABA 13 0.126 4.290 3.333
86 HA ABA 13 HA ABA 13 -1.043 3.543 0.800
87 1HB ABA 13 HB3 ABA 13 0.112 1.439 1.086
88 2HB ABA 13 HB2 ABA 13 0.401 1.765 2.840
89 1HG ABA 13 HG1 ABA 13 2.400 2.119 1.396
90 2HG ABA 13 HG2 ABA 13 1.573 3.468 0.541
91 3HG ABA 13 HG3 ABA 13 1.934 3.606 2.303
92 H TRP 14 HN TRP 14 -2.435 3.929 3.727
93 HA TRP 14 HA TRP 14 -4.147 1.632 3.952
94 1HB TRP 14 HB2 TRP 14 -3.748 4.321 5.338
95 2HB TRP 14 HB3 TRP 14 -5.281 3.415 5.624
96 HD1 TRP 14 HD1 TRP 14 -5.377 1.656 7.285
97 HE1 TRP 14 HE1 TRP 14 -3.749 0.102 8.443
98 HE3 TRP 14 HE3 TRP 14 -1.015 3.204 5.149
99 HZ2 TRP 14 HZ2 TRP 14 -0.938 -0.139 8.860
100 HZ3 TRP 14 HZ3 TRP 14 1.079 2.115 5.818
101 HH2 TRP 14 HH2 TRP 14 1.144 0.508 7.683
102 H SER 15 HN SER 15 -4.326 4.877 2.369
103 HA SER 15 HA SER 15 -7.099 4.506 1.638
104 1HB SER 15 HB2 SER 15 -6.862 6.812 0.654
105 2HB SER 15 HB3 SER 15 -6.519 6.712 2.410
106 HG SER 15 HG SER 15 -4.561 6.712 0.366
107 H VAL 16 HN VAL 16 -4.227 3.216 0.549
108 HA VAL 16 HA VAL 16 -5.023 3.244 -2.274
109 HB VAL 16 HB VAL 16 -2.398 2.244 -1.120
110 1HG1 VAL 16 HG11 VAL 16 -3.379 3.017 -3.964
111 2HG1 VAL 16 HG12 VAL 16 -1.688 2.586 -3.527
112 3HG1 VAL 16 HG13 VAL 16 -2.982 1.350 -3.412
113 1HG2 VAL 16 HG21 VAL 16 -3.197 5.013 -2.237
114 2HG2 VAL 16 HG22 VAL 16 -2.609 4.650 -0.570
115 3HG2 VAL 16 HG23 VAL 16 -1.506 4.455 -1.970
116 H CYS 17 HN CYS 17 -4.717 1.048 0.636
117 HA CYS 17 HA CYS 17 -5.230 -1.301 -0.987
118 1HB CYS 17 HB2 CYS 17 -4.760 -0.774 1.990
119 2HB CYS 17 HB3 CYS 17 -5.252 -2.387 1.404
120 H GLN 18 HN GLN 18 -7.216 1.049 0.754
121 HA GLN 18 HA GLN 18 -9.499 -0.743 0.970
122 1HB GLN 18 HB2 GLN 18 -9.228 2.248 1.576
123 2HB GLN 18 HB3 GLN 18 -10.708 1.241 1.863
124 1HG GLN 18 HG2 GLN 18 -9.527 -0.163 3.479
125 2HG GLN 18 HG3 GLN 18 -7.980 0.691 3.125
126 1HE2 GLN 18 HE22 GLN 18 -10.948 2.981 5.017
127 2HE2 GLN 18 HE21 GLN 18 -11.369 1.928 3.706
128 H ARG 19 HN ARG 19 -8.230 1.766 -1.139
129 HA ARG 19 HA ARG 19 -10.612 2.163 -2.700
130 1HB ARG 19 HB2 ARG 19 -7.796 3.228 -2.663
131 2HB ARG 19 HB3 ARG 19 -8.688 3.418 -4.194
132 1HG ARG 19 HG2 ARG 19 -10.341 4.213 -1.850
133 2HG ARG 19 HG3 ARG 19 -8.824 5.148 -2.019
134 1HD ARG 19 HD2 ARG 19 -10.712 6.245 -3.217
135 2HD ARG 19 HD3 ARG 19 -9.361 5.799 -4.325
136 HE ARG 19 HE ARG 19 -11.981 4.244 -3.999
137 1HH1 ARG 19 HH22 ARG 19 -9.271 5.269 -6.107
138 2HH1 ARG 19 HH21 ARG 19 -9.949 4.541 -7.526
139 1HH2 ARG 19 HH12 ARG 19 -12.850 3.296 -5.911
140 2HH2 ARG 19 HH11 ARG 19 -11.995 3.410 -7.414
141 H LEU 20 HN LEU 20 -7.740 0.046 -2.918
142 HA LEU 20 HA LEU 20 -8.314 -0.720 -5.641
143 1HB LEU 20 HB2 LEU 20 -5.997 -0.290 -4.959
144 2HB LEU 20 HB3 LEU 20 -6.116 -1.530 -3.675
145 HG LEU 20 HG LEU 20 -6.453 -3.280 -5.373
146 1HD1 LEU 20 HD12 LEU 20 -5.996 -1.065 -7.487
147 2HD1 LEU 20 HD13 LEU 20 -6.023 -2.837 -7.823
148 3HD1 LEU 20 HD11 LEU 20 -7.513 -2.012 -7.252
149 1HD2 LEU 20 HD22 LEU 20 -4.203 -2.838 -4.562
150 2HD2 LEU 20 HD23 LEU 20 -4.140 -3.327 -6.295
151 3HD2 LEU 20 HD21 LEU 20 -3.934 -1.591 -5.843
152 H HIS 21 HN HIS 21 -8.271 -2.206 -2.297
153 HA HIS 21 HA HIS 21 -9.922 -4.425 -3.306
154 1HB HIS 21 HB2 HIS 21 -7.642 -4.448 -1.233
155 2HB HIS 21 HB3 HIS 21 -8.761 -5.827 -1.560
156 HD1 HIS 21 HD1 HIS 21 -8.638 -6.745 -4.155
157 HD2 HIS 21 HD2 HIS 21 -5.423 -4.343 -2.918
158 HE1 HIS 21 HE1 HIS 21 -6.693 -7.125 -5.766
159 H ASN 22 HN ASN 22 -9.226 -4.452 -0.032
160 HA ASN 22 HA ASN 22 -11.015 -2.650 1.071
161 1HB ASN 22 HB2 ASN 22 -12.884 -4.305 1.816
162 2HB ASN 22 HB3 ASN 22 -12.953 -3.674 0.160
163 1HD2 ASN 22 HD22 ASN 22 -13.025 -6.821 -1.391
164 2HD2 ASN 22 HD21 ASN 22 -13.257 -5.107 -1.478
165 H THR 23 HN THR 23 -8.592 -2.940 1.859
166 HA THR 23 HA THR 23 -8.799 -4.343 4.373
167 HB THR 23 HB THR 23 -7.827 -6.030 2.716
168 HG1 THR 23 HG1 THR 23 -6.338 -6.719 4.199
169 1HG2 THR 23 HG21 THR 23 -6.254 -4.403 1.517
170 2HG2 THR 23 HG22 THR 23 -5.254 -4.351 3.031
171 3HG2 THR 23 HG23 THR 23 -5.460 -5.891 2.146
172 H SER 24 HN SER 24 -6.603 -3.817 5.581
173 HA SER 24 HA SER 24 -5.891 -1.006 5.082
174 1HB SER 24 HB2 SER 24 -6.222 -0.409 7.469
175 2HB SER 24 HB3 SER 24 -7.753 -0.846 6.642
176 HG SER 24 HG SER 24 -6.270 -2.323 8.528
177 H ARG 25 HN ARG 25 -4.869 -4.163 5.360
178 HA ARG 25 HA ARG 25 -2.361 -3.510 6.755
179 1HB ARG 25 HB2 ARG 25 -3.443 -6.195 5.742
180 2HB ARG 25 HB3 ARG 25 -1.809 -5.921 6.434
181 1HG ARG 25 HG2 ARG 25 -3.029 -6.835 8.187
182 2HG ARG 25 HG3 ARG 25 -2.830 -5.099 8.571
183 1HD ARG 25 HD2 ARG 25 -5.115 -5.963 9.191
184 2HD ARG 25 HD3 ARG 25 -5.223 -4.672 7.952
185 HE ARG 25 HE ARG 25 -5.743 -6.268 6.241
186 1HH1 ARG 25 HH22 ARG 25 -5.302 -7.887 9.401
187 2HH1 ARG 25 HH21 ARG 25 -5.999 -9.384 8.876
188 1HH2 ARG 25 HH12 ARG 25 -6.694 -8.269 5.575
189 2HH2 ARG 25 HH11 ARG 25 -6.800 -9.604 6.676
190 H GLY 26 HN GLY 26 -0.948 -2.506 5.535
191 1HA GLY 26 HA1 GLY 26 0.048 -3.351 3.102
192 2HA GLY 26 HA2 GLY 26 -1.244 -2.100 2.819
193 H LYS 27 HN LYS 27 1.918 -2.407 2.907
194 HA LYS 27 HA LYS 27 2.582 0.182 4.063
195 1HB LYS 27 HB2 LYS 27 3.013 -1.237 5.967
196 2HB LYS 27 HB3 LYS 27 3.570 -2.595 4.948
197 1HG LYS 27 HG2 LYS 27 5.690 -1.502 4.483
198 2HG LYS 27 HG3 LYS 27 5.165 0.007 5.304
199 1HD LYS 27 HD2 LYS 27 5.120 -1.163 7.485
200 2HD LYS 27 HD3 LYS 27 5.407 -2.741 6.677
201 1HE LYS 27 HE2 LYS 27 7.500 -1.910 7.731
202 2HE LYS 27 HE3 LYS 27 7.675 -2.007 5.934
203 1HZ LYS 27 HZ3 LYS 27 7.265 0.360 5.824
204 2HZ LYS 27 HZ1 LYS 27 7.118 0.449 7.513
205 3HZ LYS 27 HZ2 LYS 27 8.597 -0.004 6.813
206 H CYS 28 HN CYS 28 4.669 0.819 3.149
207 HA CYS 28 HA CYS 28 5.173 -0.417 0.509
208 1HB CYS 28 HB2 CYS 28 5.926 1.852 -0.244
209 2HB CYS 28 HB3 CYS 28 4.243 1.805 0.327
210 H MET 29 HN MET 29 7.403 0.095 -0.330
211 HA MET 29 HA MET 29 9.402 -0.752 1.599
212 1HB MET 29 HB2 MET 29 8.755 -1.956 -0.615
213 2HB MET 29 HB3 MET 29 9.700 -0.699 -1.442
214 1HG MET 29 HG2 MET 29 11.648 -1.382 0.183
215 2HG MET 29 HG3 MET 29 10.574 -2.713 0.730
216 1HE MET 29 HE3 MET 29 13.497 -3.020 -0.272
217 2HE MET 29 HE1 MET 29 12.446 -4.379 0.259
218 3HE MET 29 HE2 MET 29 13.371 -4.506 -1.277
219 H ASN 30 HN ASN 30 11.061 0.548 -0.905
220 HA ASN 30 HA ASN 30 11.702 2.978 0.474
221 1HB ASN 30 HB2 ASN 30 13.529 3.236 -1.198
222 2HB ASN 30 HB3 ASN 30 13.563 1.712 -0.269
223 1HD2 ASN 30 HD22 ASN 30 14.497 0.894 -3.766
224 2HD2 ASN 30 HD21 ASN 30 15.104 1.892 -2.485
225 H LYS 31 HN LYS 31 9.990 2.144 -2.494
226 HA LYS 31 HA LYS 31 9.711 5.014 -3.196
227 1HB LYS 31 HB2 LYS 31 10.397 2.619 -4.970
228 2HB LYS 31 HB3 LYS 31 9.947 4.233 -5.619
229 1HG LYS 31 HG2 LYS 31 11.840 5.312 -4.583
230 2HG LYS 31 HG3 LYS 31 12.338 3.793 -3.760
231 1HD LYS 31 HD2 LYS 31 12.653 2.675 -5.971
232 2HD LYS 31 HD3 LYS 31 12.280 4.230 -6.804
233 1HE LYS 31 HE2 LYS 31 14.276 5.304 -5.722
234 2HE LYS 31 HE3 LYS 31 14.611 3.780 -4.805
235 1HZ LYS 31 HZ2 LYS 31 14.930 2.652 -6.898
236 2HZ LYS 31 HZ3 LYS 31 14.628 4.081 -7.762
237 3HZ LYS 31 HZ1 LYS 31 15.982 3.974 -6.744
238 H LYS 32 HN LYS 32 7.897 1.878 -2.941
239 HA LYS 32 HA LYS 32 5.719 3.138 -4.439
240 1HB LYS 32 HB2 LYS 32 5.407 1.392 -5.949
241 2HB LYS 32 HB3 LYS 32 7.072 2.020 -6.134
242 1HG LYS 32 HG2 LYS 32 7.823 0.105 -4.526
243 2HG LYS 32 HG3 LYS 32 6.204 -0.631 -4.866
244 1HD LYS 32 HD2 LYS 32 6.720 -0.611 -7.294
245 2HD LYS 32 HD3 LYS 32 8.303 0.177 -6.948
246 1HE LYS 32 HE2 LYS 32 8.972 -1.846 -5.542
247 2HE LYS 32 HE3 LYS 32 7.421 -2.652 -6.013
248 1HZ LYS 32 HZ3 LYS 32 8.133 -2.511 -8.316
249 2HZ LYS 32 HZ1 LYS 32 9.594 -1.781 -7.846
250 3HZ LYS 32 HZ2 LYS 32 9.246 -3.369 -7.362
251 1HN ABA 33 HN ABA 33 3.730 2.292 -4.048
252 HA ABA 33 HA ABA 33 3.279 1.318 -1.432
253 1HB ABA 33 HB3 ABA 33 1.442 2.127 -3.735
254 2HB ABA 33 HB2 ABA 33 2.108 3.203 -2.480
255 1HG ABA 33 HG1 ABA 33 -0.043 2.715 -1.654
256 2HG ABA 33 HG2 ABA 33 0.079 0.942 -2.027
257 3HG ABA 33 HG3 ABA 33 1.115 1.664 -0.740
258 H ARG 34 HN ARG 34 2.632 -0.645 -0.794
259 HA ARG 34 HA ARG 34 2.042 -2.767 -2.736
260 1HB ARG 34 HB2 ARG 34 4.094 -2.743 -0.457
261 2HB ARG 34 HB3 ARG 34 3.420 -4.276 -1.119
262 1HG ARG 34 HG2 ARG 34 4.331 -3.819 -3.330
263 2HG ARG 34 HG3 ARG 34 4.809 -2.157 -2.860
264 1HD ARG 34 HD2 ARG 34 6.791 -3.565 -2.932
265 2HD ARG 34 HD3 ARG 34 6.465 -3.027 -1.224
266 HE ARG 34 HE ARG 34 5.170 -5.555 -1.580
267 1HH1 ARG 34 HH22 ARG 34 8.480 -4.236 -1.599
268 2HH1 ARG 34 HH21 ARG 34 9.221 -5.687 -1.017
269 1HH2 ARG 34 HH12 ARG 34 6.181 -7.514 -0.789
270 2HH2 ARG 34 HH11 ARG 34 7.896 -7.571 -0.552
271 H CYS 35 HN CYS 35 1.247 -4.705 -1.116
272 HA CYS 35 HA CYS 35 -0.393 -3.678 0.986
273 1HB CYS 35 HB2 CYS 35 -1.661 -3.476 -1.365
274 2HB CYS 35 HB3 CYS 35 -1.905 -5.224 -1.168
275 H TYR 36 HN TYR 36 -1.179 -5.460 2.253
276 HA TYR 36 HA TYR 36 0.547 -7.850 2.088
277 1HB TYR 36 HB2 TYR 36 0.525 -5.483 4.024
278 2HB TYR 36 HB3 TYR 36 1.013 -7.089 4.692
279 HD1 TYR 36 HD2 TYR 36 2.692 -8.322 2.696
280 HD2 TYR 36 HD1 TYR 36 2.383 -4.184 3.811
281 HE1 TYR 36 HE2 TYR 36 5.036 -7.957 2.014
282 HE2 TYR 36 HE1 TYR 36 4.721 -3.817 3.142
283 HH TYR 36 HH TYR 36 6.605 -4.736 2.354
284 H SER 37 HN SER 37 -1.819 -8.387 1.425
285 HA SER 37 HA SER 37 -3.397 -9.046 3.827
286 1HB SER 37 HB2 SER 37 -4.550 -7.767 1.966
287 2HB SER 37 HB3 SER 37 -4.230 -9.156 0.870
288 HG SER 37 HG SER 37 -5.655 -9.208 3.335
No H/Q in entry = 288
Start of MODEL 9
1 HA PCA 1 HA PGL 1 -3.803 -7.310 -6.293
2 1HB PCA 1 HB2 PGL 1 -2.620 -8.838 -3.895
3 2HB PCA 1 HB3 PGL 1 -4.334 -8.382 -4.204
4 1HG PCA 1 HG2 PGL 1 -3.225 -10.937 -4.686
5 2HG PCA 1 HG3 PGL 1 -4.612 -10.276 -5.662
6 HN PCA 1 HN PGL 1 -1.809 -8.314 -7.533
7 H PHE 2 HN PHE 2 -1.517 -6.313 -7.371
8 HA PHE 2 HA PHE 2 0.033 -5.031 -5.214
9 1HB PHE 2 HB2 PHE 2 0.916 -5.872 -8.057
10 2HB PHE 2 HB3 PHE 2 1.940 -5.016 -6.836
11 HD1 PHE 2 HD1 PHE 2 2.032 -6.189 -4.461
12 HD2 PHE 2 HD2 PHE 2 1.025 -8.217 -8.109
13 HE1 PHE 2 HE1 PHE 2 2.662 -8.346 -3.430
14 HE2 PHE 2 HE2 PHE 2 1.644 -10.378 -7.076
15 HZ PHE 2 HZ PHE 2 2.466 -10.447 -4.736
16 H THR 3 HN THR 3 0.551 -2.895 -5.465
17 HA THR 3 HA THR 3 -1.024 -1.295 -7.377
18 HB THR 3 HB THR 3 -0.722 0.529 -5.580
19 HG1 THR 3 HG1 THR 3 -0.110 -0.086 -3.649
20 1HG2 THR 3 HG21 THR 3 -2.410 -1.979 -4.916
21 2HG2 THR 3 HG22 THR 3 -2.630 -0.342 -4.200
22 3HG2 THR 3 HG23 THR 3 -2.904 -0.600 -5.968
23 H ASN 4 HN ASN 4 0.069 0.566 -8.257
24 HA ASN 4 HA ASN 4 3.003 0.597 -8.101
25 1HB ASN 4 HB2 ASN 4 3.088 1.076 -10.575
26 2HB ASN 4 HB3 ASN 4 2.633 -0.596 -10.151
27 1HD2 ASN 4 HD22 ASN 4 -0.631 -0.516 -11.574
28 2HD2 ASN 4 HD21 ASN 4 0.439 -1.330 -10.481
29 H VAL 5 HN VAL 5 1.514 1.961 -6.433
30 HA VAL 5 HA VAL 5 1.379 4.766 -7.306
31 HB VAL 5 HB VAL 5 0.263 3.136 -4.961
32 1HG1 VAL 5 HG11 VAL 5 0.282 6.211 -5.282
33 2HG1 VAL 5 HG12 VAL 5 -0.794 5.288 -4.165
34 3HG1 VAL 5 HG13 VAL 5 0.985 5.232 -3.925
35 1HG2 VAL 5 HG21 VAL 5 -1.013 4.755 -7.261
36 2HG2 VAL 5 HG22 VAL 5 -1.010 2.963 -7.051
37 3HG2 VAL 5 HG23 VAL 5 -1.911 4.004 -5.894
38 H SER 6 HN SER 6 2.662 6.290 -5.872
39 HA SER 6 HA SER 6 5.167 5.061 -5.001
40 1HB SER 6 HB2 SER 6 6.053 7.431 -5.017
41 2HB SER 6 HB3 SER 6 5.562 6.722 -6.582
42 HG SER 6 HG SER 6 4.830 8.819 -6.350
43 H CYS 7 HN CYS 7 5.939 5.080 -2.983
44 HA CYS 7 HA CYS 7 4.455 6.516 -0.836
45 1HB CYS 7 HB2 CYS 7 3.268 4.582 -0.834
46 2HB CYS 7 HB3 CYS 7 4.658 3.532 -1.007
47 H THR 8 HN THR 8 5.642 6.943 0.939
48 HA THR 8 HA THR 8 8.452 6.142 1.139
49 HB THR 8 HB THR 8 9.023 8.470 2.026
50 HG1 THR 8 HG1 THR 8 6.859 9.225 2.097
51 1HG2 THR 8 HG23 THR 8 9.810 7.527 -0.167
52 2HG2 THR 8 HG21 THR 8 8.355 8.215 -0.981
53 3HG2 THR 8 HG22 THR 8 9.564 9.311 -0.218
54 H THR 9 HN THR 9 5.562 7.671 2.659
55 HA THR 9 HA THR 9 6.306 6.646 5.298
56 HB THR 9 HB THR 9 4.293 8.141 5.998
57 HG1 THR 9 HG1 THR 9 3.983 9.845 4.550
58 1HG2 THR 9 HG23 THR 9 6.680 8.617 6.451
59 2HG2 THR 9 HG21 THR 9 6.870 9.367 4.817
60 3HG2 THR 9 HG22 THR 9 5.770 10.117 6.039
61 H SER 10 HN SER 10 5.323 4.955 6.186
62 HA SER 10 HA SER 10 3.320 3.480 4.716
63 1HB SER 10 HB2 SER 10 3.876 1.670 6.434
64 2HB SER 10 HB3 SER 10 5.226 2.213 5.387
65 HG SER 10 HG SER 10 4.733 3.134 8.013
66 H LYS 11 HN LYS 11 1.682 5.092 5.065
67 HA LYS 11 HA LYS 11 -0.246 4.524 6.920
68 1HB LYS 11 HB2 LYS 11 1.683 6.483 8.019
69 2HB LYS 11 HB3 LYS 11 0.057 7.210 7.889
70 1HG LYS 11 HG2 LYS 11 -0.958 5.355 9.163
71 2HG LYS 11 HG3 LYS 11 0.623 4.515 9.228
72 1HD LYS 11 HD2 LYS 11 0.330 5.460 11.346
73 2HD LYS 11 HD3 LYS 11 1.570 6.481 10.554
74 1HE LYS 11 HE2 LYS 11 -1.446 7.220 10.738
75 2HE LYS 11 HE3 LYS 11 -0.213 7.700 11.971
76 1HZ LYS 11 HZ2 LYS 11 0.989 8.862 10.254
77 2HZ LYS 11 HZ3 LYS 11 -0.189 8.452 9.102
78 3HZ LYS 11 HZ1 LYS 11 -0.599 9.441 10.421
79 H GLU 12 HN GLU 12 1.346 6.862 4.707
80 HA GLU 12 HA GLU 12 -0.725 8.358 3.872
81 1HB GLU 12 HB2 GLU 12 1.899 8.293 3.551
82 2HB GLU 12 HB3 GLU 12 1.578 7.480 2.024
83 1HG GLU 12 HG2 GLU 12 0.420 10.219 2.907
84 2HG GLU 12 HG3 GLU 12 1.923 10.008 1.942
85 1HN ABA 13 HN ABA 13 0.269 5.143 2.651
86 HA ABA 13 HA ABA 13 -1.583 5.232 0.377
87 1HB ABA 13 HB3 ABA 13 0.793 4.991 -0.124
88 2HB ABA 13 HB2 ABA 13 -0.105 3.534 -0.584
89 1HG ABA 13 HG1 ABA 13 1.626 3.916 1.952
90 2HG ABA 13 HG2 ABA 13 0.776 2.369 1.520
91 3HG ABA 13 HG3 ABA 13 2.075 3.030 0.454
92 H TRP 14 HN TRP 14 -2.361 4.602 3.249
93 HA TRP 14 HA TRP 14 -3.150 1.823 3.197
94 1HB TRP 14 HB2 TRP 14 -3.435 4.087 5.249
95 2HB TRP 14 HB3 TRP 14 -4.204 2.479 5.487
96 HD1 TRP 14 HD1 TRP 14 -0.480 2.914 4.196
97 HE1 TRP 14 HE1 TRP 14 0.875 1.300 5.571
98 HE3 TRP 14 HE3 TRP 14 -4.024 1.740 7.694
99 HZ2 TRP 14 HZ2 TRP 14 0.536 -0.293 7.929
100 HZ3 TRP 14 HZ3 TRP 14 -3.465 0.080 9.438
101 HH2 TRP 14 HH2 TRP 14 -1.222 -0.963 9.509
102 H SER 15 HN SER 15 -4.546 4.862 2.130
103 HA SER 15 HA SER 15 -7.267 3.895 2.079
104 1HB SER 15 HB2 SER 15 -7.732 6.188 1.101
105 2HB SER 15 HB3 SER 15 -7.046 6.172 2.759
106 HG SER 15 HG SER 15 -5.592 6.584 0.365
107 H VAL 16 HN VAL 16 -4.478 3.320 0.342
108 HA VAL 16 HA VAL 16 -5.715 3.258 -2.325
109 HB VAL 16 HB VAL 16 -2.829 2.643 -1.484
110 1HG1 VAL 16 HG12 VAL 16 -4.135 3.147 -4.251
111 2HG1 VAL 16 HG13 VAL 16 -2.370 2.962 -3.928
112 3HG1 VAL 16 HG11 VAL 16 -3.472 1.573 -3.671
113 1HG2 VAL 16 HG23 VAL 16 -3.433 5.032 -0.981
114 2HG2 VAL 16 HG21 VAL 16 -2.318 4.906 -2.382
115 3HG2 VAL 16 HG22 VAL 16 -4.073 5.217 -2.659
116 H CYS 17 HN CYS 17 -4.279 1.045 0.179
117 HA CYS 17 HA CYS 17 -5.048 -1.320 -1.204
118 1HB CYS 17 HB2 CYS 17 -3.815 -0.595 1.446
119 2HB CYS 17 HB3 CYS 17 -4.574 -2.201 1.367
120 H GLN 18 HN GLN 18 -7.033 0.914 0.502
121 HA GLN 18 HA GLN 18 -8.985 -0.981 1.407
122 1HB GLN 18 HB2 GLN 18 -8.153 1.195 2.515
123 2HB GLN 18 HB3 GLN 18 -9.100 2.106 1.321
124 1HG GLN 18 HG2 GLN 18 -10.152 -0.090 3.211
125 2HG GLN 18 HG3 GLN 18 -10.125 1.669 3.627
126 1HE2 GLN 18 HE22 GLN 18 -12.776 2.567 1.264
127 2HE2 GLN 18 HE21 GLN 18 -11.228 3.118 1.817
128 H ARG 19 HN ARG 19 -8.727 1.722 -0.883
129 HA ARG 19 HA ARG 19 -11.248 1.413 -2.127
130 1HB ARG 19 HB2 ARG 19 -8.791 3.128 -2.695
131 2HB ARG 19 HB3 ARG 19 -10.285 3.281 -3.675
132 1HG ARG 19 HG2 ARG 19 -10.817 3.405 -0.733
133 2HG ARG 19 HG3 ARG 19 -9.701 4.669 -1.334
134 1HD ARG 19 HD2 ARG 19 -12.049 5.516 -1.428
135 2HD ARG 19 HD3 ARG 19 -11.297 5.380 -3.060
136 HE ARG 19 HE ARG 19 -12.747 3.620 -3.639
137 1HH1 ARG 19 HH12 ARG 19 -13.208 4.370 -0.167
138 2HH1 ARG 19 HH11 ARG 19 -14.636 3.401 -0.022
139 1HH2 ARG 19 HH22 ARG 19 -14.671 2.327 -3.401
140 2HH2 ARG 19 HH21 ARG 19 -15.469 2.235 -1.866
141 H LEU 20 HN LEU 20 -8.193 -0.122 -2.816
142 HA LEU 20 HA LEU 20 -8.839 -0.815 -5.581
143 1HB LEU 20 HB2 LEU 20 -6.458 -1.027 -3.741
144 2HB LEU 20 HB3 LEU 20 -6.582 -2.300 -4.984
145 HG LEU 20 HG LEU 20 -5.147 -0.403 -5.514
146 1HD1 LEU 20 HD13 LEU 20 -5.966 -2.003 -7.214
147 2HD1 LEU 20 HD11 LEU 20 -7.416 -0.973 -7.527
148 3HD1 LEU 20 HD12 LEU 20 -5.768 -0.359 -7.929
149 1HD2 LEU 20 HD22 LEU 20 -6.524 1.550 -4.763
150 2HD2 LEU 20 HD23 LEU 20 -6.020 1.696 -6.482
151 3HD2 LEU 20 HD21 LEU 20 -7.710 1.226 -6.081
152 H HIS 21 HN HIS 21 -7.901 -2.543 -2.559
153 HA HIS 21 HA HIS 21 -9.390 -4.914 -3.389
154 1HB HIS 21 HB2 HIS 21 -7.244 -4.508 -1.226
155 2HB HIS 21 HB3 HIS 21 -7.972 -6.084 -1.732
156 HD1 HIS 21 HD1 HIS 21 -7.439 -6.703 -4.385
157 HD2 HIS 21 HD2 HIS 21 -5.173 -3.564 -2.770
158 HE1 HIS 21 HE1 HIS 21 -5.464 -6.266 -5.942
159 H ASN 22 HN ASN 22 -8.724 -4.668 -0.086
160 HA ASN 22 HA ASN 22 -10.858 -3.416 1.055
161 1HB ASN 22 HB2 ASN 22 -12.444 -5.318 1.701
162 2HB ASN 22 HB3 ASN 22 -12.572 -4.708 0.038
163 1HD2 ASN 22 HD22 ASN 22 -12.971 -8.238 -0.530
164 2HD2 ASN 22 HD21 ASN 22 -13.826 -6.821 -0.022
165 H THR 23 HN THR 23 -8.563 -3.220 1.972
166 HA THR 23 HA THR 23 -8.537 -4.765 4.401
167 HB THR 23 HB THR 23 -7.094 -6.065 2.751
168 HG1 THR 23 HG1 THR 23 -6.862 -6.131 5.008
169 1HG2 THR 23 HG22 THR 23 -6.020 -4.102 1.564
170 2HG2 THR 23 HG23 THR 23 -5.138 -3.699 3.097
171 3HG2 THR 23 HG21 THR 23 -4.813 -5.242 2.249
172 H SER 24 HN SER 24 -6.390 -3.642 5.594
173 HA SER 24 HA SER 24 -6.591 -0.734 5.156
174 1HB SER 24 HB2 SER 24 -6.636 -0.232 7.562
175 2HB SER 24 HB3 SER 24 -8.118 -1.071 6.997
176 HG SER 24 HG SER 24 -5.989 -2.102 8.532
177 H ARG 25 HN ARG 25 -4.751 -3.621 6.120
178 HA ARG 25 HA ARG 25 -2.354 -2.081 6.638
179 1HB ARG 25 HB2 ARG 25 -1.377 -4.443 7.113
180 2HB ARG 25 HB3 ARG 25 -2.447 -3.652 8.292
181 1HG ARG 25 HG2 ARG 25 -3.623 -5.626 6.270
182 2HG ARG 25 HG3 ARG 25 -2.747 -6.174 7.730
183 1HD ARG 25 HD2 ARG 25 -4.508 -5.866 9.066
184 2HD ARG 25 HD3 ARG 25 -4.563 -4.099 8.615
185 HE ARG 25 HE ARG 25 -5.790 -5.156 6.441
186 1HH1 ARG 25 HH22 ARG 25 -6.353 -5.851 9.909
187 2HH1 ARG 25 HH21 ARG 25 -8.036 -6.203 9.697
188 1HH2 ARG 25 HH12 ARG 25 -8.040 -5.638 6.186
189 2HH2 ARG 25 HH11 ARG 25 -9.009 -6.080 7.552
190 H GLY 26 HN GLY 26 -0.920 -1.751 5.197
191 1HA GLY 26 HA1 GLY 26 -0.093 -3.167 3.006
192 2HA GLY 26 HA2 GLY 26 -1.528 -2.174 2.488
193 H LYS 27 HN LYS 27 1.823 -2.193 3.145
194 HA LYS 27 HA LYS 27 2.056 0.653 3.807
195 1HB LYS 27 HB2 LYS 27 3.992 -1.698 4.315
196 2HB LYS 27 HB3 LYS 27 4.218 0.005 4.852
197 1HG LYS 27 HG2 LYS 27 2.189 -0.213 6.296
198 2HG LYS 27 HG3 LYS 27 2.019 -1.933 5.768
199 1HD LYS 27 HD2 LYS 27 4.235 -2.483 6.730
200 2HD LYS 27 HD3 LYS 27 4.498 -0.761 7.173
201 1HE LYS 27 HE2 LYS 27 3.818 -2.115 9.163
202 2HE LYS 27 HE3 LYS 27 2.589 -0.843 8.786
203 1HZ LYS 27 HZ3 LYS 27 2.427 -3.715 8.032
204 2HZ LYS 27 HZ1 LYS 27 1.586 -2.948 9.294
205 3HZ LYS 27 HZ2 LYS 27 1.274 -2.519 7.681
206 H CYS 28 HN CYS 28 5.071 -0.013 3.166
207 HA CYS 28 HA CYS 28 5.059 -0.459 0.344
208 1HB CYS 28 HB2 CYS 28 6.075 1.820 -0.255
209 2HB CYS 28 HB3 CYS 28 4.379 1.816 0.240
210 H MET 29 HN MET 29 7.328 -0.017 -0.553
211 HA MET 29 HA MET 29 9.258 -1.296 1.194
212 1HB MET 29 HB2 MET 29 8.398 -2.228 -1.061
213 2HB MET 29 HB3 MET 29 9.427 -1.007 -1.841
214 1HG MET 29 HG2 MET 29 11.409 -2.007 -0.526
215 2HG MET 29 HG3 MET 29 10.271 -3.195 0.181
216 1HE MET 29 HE3 MET 29 11.578 -5.185 -0.409
217 2HE MET 29 HE1 MET 29 12.317 -5.543 -2.006
218 3HE MET 29 HE2 MET 29 12.874 -4.121 -1.057
219 H ASN 30 HN ASN 30 10.907 0.054 -1.282
220 HA ASN 30 HA ASN 30 11.905 2.266 0.251
221 1HB ASN 30 HB2 ASN 30 13.602 2.469 -1.632
222 2HB ASN 30 HB3 ASN 30 13.582 0.963 -0.676
223 1HD2 ASN 30 HD22 ASN 30 12.927 0.802 -4.729
224 2HD2 ASN 30 HD21 ASN 30 13.171 2.304 -3.900
225 H LYS 31 HN LYS 31 10.049 1.905 -2.741
226 HA LYS 31 HA LYS 31 9.685 4.851 -2.892
227 1HB LYS 31 HB2 LYS 31 10.556 2.934 -5.100
228 2HB LYS 31 HB3 LYS 31 9.975 4.591 -5.429
229 1HG LYS 31 HG2 LYS 31 11.800 5.615 -4.182
230 2HG LYS 31 HG3 LYS 31 12.429 4.004 -3.703
231 1HD LYS 31 HD2 LYS 31 13.799 4.751 -5.499
232 2HD LYS 31 HD3 LYS 31 12.762 3.409 -6.105
233 1HE LYS 31 HE2 LYS 31 11.260 5.108 -7.239
234 2HE LYS 31 HE3 LYS 31 12.300 6.444 -6.590
235 1HZ LYS 31 HZ1 LYS 31 13.196 4.261 -8.396
236 2HZ LYS 31 HZ2 LYS 31 12.808 5.850 -8.859
237 3HZ LYS 31 HZ3 LYS 31 14.135 5.562 -7.835
238 H LYS 32 HN LYS 32 7.946 1.740 -2.968
239 HA LYS 32 HA LYS 32 5.731 3.114 -4.293
240 1HB LYS 32 HB2 LYS 32 5.327 1.571 -5.927
241 2HB LYS 32 HB3 LYS 32 7.048 2.016 -6.101
242 1HG LYS 32 HG2 LYS 32 7.691 -0.081 -4.834
243 2HG LYS 32 HG3 LYS 32 5.944 -0.573 -4.859
244 1HD LYS 32 HD2 LYS 32 5.927 -0.456 -7.326
245 2HD LYS 32 HD3 LYS 32 7.675 -0.023 -7.319
246 1HE LYS 32 HE2 LYS 32 7.393 -2.466 -7.824
247 2HE LYS 32 HE3 LYS 32 8.224 -2.246 -6.230
248 1HZ LYS 32 HZ3 LYS 32 6.095 -2.592 -5.153
249 2HZ LYS 32 HZ1 LYS 32 5.339 -2.829 -6.658
250 3HZ LYS 32 HZ2 LYS 32 6.537 -3.914 -6.126
251 1HN ABA 33 HN ABA 33 3.708 2.203 -3.900
252 HA ABA 33 HA ABA 33 3.239 1.143 -1.379
253 1HB ABA 33 HB3 ABA 33 1.405 1.574 -3.795
254 2HB ABA 33 HB2 ABA 33 1.869 2.802 -2.579
255 1HG ABA 33 HG1 ABA 33 -0.331 1.993 -1.990
256 2HG ABA 33 HG2 ABA 33 0.213 0.274 -1.962
257 3HG ABA 33 HG3 ABA 33 0.880 1.437 -0.765
258 H ARG 34 HN ARG 34 2.491 -0.927 -0.760
259 HA ARG 34 HA ARG 34 1.957 -2.934 -2.782
260 1HB ARG 34 HB2 ARG 34 4.473 -3.001 -1.918
261 2HB ARG 34 HB3 ARG 34 3.778 -3.795 -0.475
262 1HG ARG 34 HG2 ARG 34 2.863 -5.613 -1.932
263 2HG ARG 34 HG3 ARG 34 3.203 -4.619 -3.389
264 1HD ARG 34 HD2 ARG 34 4.860 -6.317 -3.378
265 2HD ARG 34 HD3 ARG 34 5.706 -4.797 -2.886
266 HE ARG 34 HE ARG 34 5.469 -5.567 -0.473
267 1HH1 ARG 34 HH12 ARG 34 5.454 -8.036 -3.074
268 2HH1 ARG 34 HH11 ARG 34 6.055 -9.293 -2.044
269 1HH2 ARG 34 HH22 ARG 34 6.273 -7.278 0.862
270 2HH2 ARG 34 HH21 ARG 34 6.522 -8.861 0.201
271 H CYS 35 HN CYS 35 1.399 -5.025 -0.873
272 HA CYS 35 HA CYS 35 -0.586 -3.860 0.870
273 1HB CYS 35 HB2 CYS 35 -1.352 -4.370 -1.760
274 2HB CYS 35 HB3 CYS 35 -1.744 -5.929 -1.022
275 H TYR 36 HN TYR 36 -1.286 -5.312 2.354
276 HA TYR 36 HA TYR 36 0.391 -7.692 2.804
277 1HB TYR 36 HB2 TYR 36 0.357 -4.994 4.280
278 2HB TYR 36 HB3 TYR 36 0.882 -6.476 5.177
279 HD1 TYR 36 HD1 TYR 36 2.553 -7.939 3.294
280 HD2 TYR 36 HD2 TYR 36 2.177 -3.709 3.911
281 HE1 TYR 36 HE1 TYR 36 4.833 -7.612 2.427
282 HE2 TYR 36 HE2 TYR 36 4.442 -3.359 3.014
283 HH TYR 36 HH TYR 36 6.453 -6.122 1.883
284 H SER 37 HN SER 37 -2.003 -8.180 2.143
285 HA SER 37 HA SER 37 -3.874 -7.962 4.369
286 1HB SER 37 HB2 SER 37 -4.635 -7.514 2.006
287 2HB SER 37 HB3 SER 37 -4.246 -9.219 1.587
288 HG SER 37 HG SER 37 -6.416 -8.893 2.127
No H/Q in entry = 288
Start of MODEL 10
1 HA PCA 1 HA PGL 1 -3.044 -6.603 -3.583
2 1HB PCA 1 HB2 PGL 1 -1.059 -8.938 -3.816
3 2HB PCA 1 HB3 PGL 1 -2.029 -8.415 -2.386
4 1HG PCA 1 HG2 PGL 1 -2.698 -10.562 -4.094
5 2HG PCA 1 HG3 PGL 1 -3.954 -9.586 -3.204
6 HN PCA 1 HN PGL 1 -3.376 -7.022 -6.089
7 H PHE 2 HN PHE 2 -2.065 -6.011 -6.466
8 HA PHE 2 HA PHE 2 0.688 -5.116 -5.913
9 1HB PHE 2 HB2 PHE 2 -0.546 -6.093 -8.579
10 2HB PHE 2 HB3 PHE 2 1.156 -5.537 -8.315
11 HD1 PHE 2 HD2 PHE 2 2.451 -6.809 -6.369
12 HD2 PHE 2 HD1 PHE 2 -1.006 -8.370 -8.398
13 HE1 PHE 2 HE2 PHE 2 3.039 -9.092 -5.623
14 HE2 PHE 2 HE1 PHE 2 -0.408 -10.651 -7.658
15 HZ PHE 2 HZ PHE 2 1.602 -11.015 -6.251
16 H THR 3 HN THR 3 0.856 -2.998 -5.862
17 HA THR 3 HA THR 3 -0.972 -1.252 -7.373
18 HB THR 3 HB THR 3 -0.584 0.356 -5.329
19 HG1 THR 3 HG1 THR 3 0.241 -0.494 -3.649
20 1HG2 THR 3 HG21 THR 3 -2.414 -2.123 -5.078
21 2HG2 THR 3 HG22 THR 3 -2.576 -0.575 -4.171
22 3HG2 THR 3 HG23 THR 3 -2.789 -0.594 -5.960
23 H ASN 4 HN ASN 4 0.020 0.654 -8.161
24 HA ASN 4 HA ASN 4 2.950 0.793 -8.057
25 1HB ASN 4 HB2 ASN 4 2.946 1.331 -10.542
26 2HB ASN 4 HB3 ASN 4 2.594 -0.365 -10.118
27 1HD2 ASN 4 HD22 ASN 4 -0.180 1.811 -12.228
28 2HD2 ASN 4 HD21 ASN 4 1.334 2.491 -11.732
29 H VAL 5 HN VAL 5 1.492 2.091 -6.324
30 HA VAL 5 HA VAL 5 1.324 4.909 -7.160
31 HB VAL 5 HB VAL 5 0.261 3.232 -4.830
32 1HG1 VAL 5 HG11 VAL 5 0.419 6.316 -4.940
33 2HG1 VAL 5 HG12 VAL 5 -0.684 5.380 -3.865
34 3HG1 VAL 5 HG13 VAL 5 1.088 5.206 -3.670
35 1HG2 VAL 5 HG23 VAL 5 -1.019 5.079 -6.952
36 2HG2 VAL 5 HG21 VAL 5 -1.086 3.274 -6.907
37 3HG2 VAL 5 HG22 VAL 5 -1.913 4.243 -5.632
38 H SER 6 HN SER 6 2.620 6.422 -5.725
39 HA SER 6 HA SER 6 5.150 5.197 -4.922
40 1HB SER 6 HB2 SER 6 6.021 7.575 -4.876
41 2HB SER 6 HB3 SER 6 5.522 6.916 -6.460
42 HG SER 6 HG SER 6 3.537 8.003 -6.208
43 H CYS 7 HN CYS 7 5.910 5.140 -2.911
44 HA CYS 7 HA CYS 7 4.398 6.455 -0.707
45 1HB CYS 7 HB2 CYS 7 3.239 4.498 -0.864
46 2HB CYS 7 HB3 CYS 7 4.654 3.468 -1.022
47 H THR 8 HN THR 8 5.538 6.791 1.106
48 HA THR 8 HA THR 8 8.347 6.000 1.338
49 HB THR 8 HB THR 8 8.855 8.256 2.424
50 HG1 THR 8 HG1 THR 8 6.665 8.955 2.509
51 1HG2 THR 8 HG21 THR 8 9.704 7.541 0.167
52 2HG2 THR 8 HG22 THR 8 8.232 8.244 -0.602
53 3HG2 THR 8 HG23 THR 8 9.393 9.314 0.266
54 H THR 9 HN THR 9 5.373 7.319 2.896
55 HA THR 9 HA THR 9 6.106 6.096 5.462
56 HB THR 9 HB THR 9 4.183 7.566 6.320
57 HG1 THR 9 HG1 THR 9 4.621 8.755 3.770
58 1HG2 THR 9 HG23 THR 9 6.605 8.041 6.642
59 2HG2 THR 9 HG21 THR 9 6.662 8.909 5.061
60 3HG2 THR 9 HG22 THR 9 5.639 9.544 6.408
61 H SER 10 HN SER 10 4.988 4.404 6.287
62 HA SER 10 HA SER 10 2.881 3.148 4.754
63 1HB SER 10 HB2 SER 10 3.154 1.266 6.424
64 2HB SER 10 HB3 SER 10 4.610 1.678 5.461
65 HG SER 10 HG SER 10 4.092 2.564 8.097
66 H LYS 11 HN LYS 11 1.385 4.863 5.002
67 HA LYS 11 HA LYS 11 -0.562 4.545 6.974
68 1HB LYS 11 HB2 LYS 11 0.923 5.863 8.443
69 2HB LYS 11 HB3 LYS 11 1.199 7.090 7.173
70 1HG LYS 11 HG2 LYS 11 -1.666 6.569 8.043
71 2HG LYS 11 HG3 LYS 11 -0.584 7.334 9.249
72 1HD LYS 11 HD2 LYS 11 -0.372 9.324 8.102
73 2HD LYS 11 HD3 LYS 11 -0.520 8.559 6.491
74 1HE LYS 11 HE2 LYS 11 -2.482 10.017 6.951
75 2HE LYS 11 HE3 LYS 11 -2.965 8.285 6.740
76 1HZ LYS 11 HZ1 LYS 11 -2.617 9.697 9.335
77 2HZ LYS 11 HZ2 LYS 11 -4.087 9.332 8.566
78 3HZ LYS 11 HZ3 LYS 11 -3.086 8.078 9.121
79 H GLU 12 HN GLU 12 1.100 6.696 4.609
80 HA GLU 12 HA GLU 12 -0.869 8.170 3.621
81 1HB GLU 12 HB2 GLU 12 1.689 8.133 3.475
82 2HB GLU 12 HB3 GLU 12 1.572 7.110 2.041
83 1HG GLU 12 HG2 GLU 12 0.210 9.875 2.364
84 2HG GLU 12 HG3 GLU 12 1.901 9.669 1.777
85 1HN ABA 13 HN ABA 13 0.123 4.974 2.426
86 HA ABA 13 HA ABA 13 -1.656 5.071 0.085
87 1HB ABA 13 HB3 ABA 13 0.740 4.875 -0.306
88 2HB ABA 13 HB2 ABA 13 -0.134 3.422 -0.838
89 1HG ABA 13 HG1 ABA 13 0.644 2.249 1.322
90 2HG ABA 13 HG2 ABA 13 1.993 2.867 0.293
91 3HG ABA 13 HG3 ABA 13 1.513 3.773 1.770
92 H TRP 14 HN TRP 14 -2.529 4.394 2.938
93 HA TRP 14 HA TRP 14 -3.277 1.606 2.786
94 1HB TRP 14 HB2 TRP 14 -3.814 3.765 4.887
95 2HB TRP 14 HB3 TRP 14 -4.420 2.077 5.008
96 HD1 TRP 14 HD1 TRP 14 -0.813 2.237 3.629
97 HE1 TRP 14 HE1 TRP 14 0.658 1.178 5.333
98 HE3 TRP 14 HE3 TRP 14 -4.118 2.160 7.540
99 HZ2 TRP 14 HZ2 TRP 14 0.523 0.361 8.070
100 HZ3 TRP 14 HZ3 TRP 14 -3.378 1.156 9.680
101 HH2 TRP 14 HH2 TRP 14 -1.104 0.200 9.902
102 H SER 15 HN SER 15 -4.757 4.770 1.957
103 HA SER 15 HA SER 15 -7.400 3.679 1.613
104 1HB SER 15 HB2 SER 15 -7.988 6.054 0.988
105 2HB SER 15 HB3 SER 15 -7.334 5.836 2.643
106 HG SER 15 HG SER 15 -5.317 6.497 1.877
107 H VAL 16 HN VAL 16 -4.644 3.236 0.001
108 HA VAL 16 HA VAL 16 -5.753 3.316 -2.724
109 HB VAL 16 HB VAL 16 -2.986 2.471 -1.716
110 1HG1 VAL 16 HG11 VAL 16 -4.076 2.985 -4.570
111 2HG1 VAL 16 HG12 VAL 16 -2.360 2.634 -4.129
112 3HG1 VAL 16 HG13 VAL 16 -3.610 1.374 -3.901
113 1HG2 VAL 16 HG23 VAL 16 -3.423 4.910 -1.317
114 2HG2 VAL 16 HG21 VAL 16 -2.247 4.663 -2.648
115 3HG2 VAL 16 HG22 VAL 16 -3.956 5.095 -3.030
116 H CYS 17 HN CYS 17 -4.639 0.994 -0.141
117 HA CYS 17 HA CYS 17 -5.690 -1.241 -1.641
118 1HB CYS 17 HB2 CYS 17 -4.490 -1.027 1.151
119 2HB CYS 17 HB3 CYS 17 -5.172 -2.544 0.490
120 H GLN 18 HN GLN 18 -7.450 1.121 0.038
121 HA GLN 18 HA GLN 18 -9.510 -0.720 1.002
122 1HB GLN 18 HB2 GLN 18 -9.354 2.332 0.941
123 2HB GLN 18 HB3 GLN 18 -10.795 1.395 1.518
124 1HG GLN 18 HG2 GLN 18 -9.589 0.359 3.294
125 2HG GLN 18 HG3 GLN 18 -8.018 1.021 2.710
126 1HE2 GLN 18 HE22 GLN 18 -8.439 3.712 5.008
127 2HE2 GLN 18 HE21 GLN 18 -7.447 2.428 4.400
128 H ARG 19 HN ARG 19 -8.957 1.723 -1.551
129 HA ARG 19 HA ARG 19 -11.539 1.443 -2.752
130 1HB ARG 19 HB2 ARG 19 -9.199 3.108 -3.653
131 2HB ARG 19 HB3 ARG 19 -10.883 3.117 -4.302
132 1HG ARG 19 HG2 ARG 19 -11.448 3.401 -1.620
133 2HG ARG 19 HG3 ARG 19 -9.814 4.126 -1.672
134 1HD ARG 19 HD2 ARG 19 -11.304 5.955 -2.068
135 2HD ARG 19 HD3 ARG 19 -10.691 5.482 -3.731
136 HE ARG 19 HE ARG 19 -13.166 4.078 -2.964
137 1HH1 ARG 19 HH12 ARG 19 -11.941 7.164 -4.299
138 2HH1 ARG 19 HH11 ARG 19 -13.454 7.603 -5.019
139 1HH2 ARG 19 HH22 ARG 19 -15.177 4.684 -3.932
140 2HH2 ARG 19 HH21 ARG 19 -15.322 6.172 -4.806
141 H LEU 20 HN LEU 20 -8.447 -0.113 -3.166
142 HA LEU 20 HA LEU 20 -8.986 -1.226 -5.808
143 1HB LEU 20 HB2 LEU 20 -6.645 -1.044 -3.915
144 2HB LEU 20 HB3 LEU 20 -6.692 -2.511 -4.935
145 HG LEU 20 HG LEU 20 -5.303 -0.731 -5.787
146 1HD1 LEU 20 HD13 LEU 20 -6.169 -2.540 -7.244
147 2HD1 LEU 20 HD11 LEU 20 -7.615 -1.546 -7.665
148 3HD1 LEU 20 HD12 LEU 20 -5.972 -1.007 -8.174
149 1HD2 LEU 20 HD23 LEU 20 -6.650 1.319 -5.271
150 2HD2 LEU 20 HD21 LEU 20 -6.197 1.230 -7.008
151 3HD2 LEU 20 HD22 LEU 20 -7.875 0.829 -6.499
152 H HIS 21 HN HIS 21 -7.980 -2.562 -2.588
153 HA HIS 21 HA HIS 21 -9.521 -4.997 -3.096
154 1HB HIS 21 HB2 HIS 21 -7.195 -4.425 -1.165
155 2HB HIS 21 HB3 HIS 21 -7.940 -6.035 -1.510
156 HD1 HIS 21 HD1 HIS 21 -7.604 -6.759 -4.209
157 HD2 HIS 21 HD2 HIS 21 -5.207 -3.608 -2.829
158 HE1 HIS 21 HE1 HIS 21 -5.733 -6.376 -5.908
159 H ASN 22 HN ASN 22 -8.562 -4.543 0.079
160 HA ASN 22 HA ASN 22 -10.367 -2.927 1.278
161 1HB ASN 22 HB2 ASN 22 -12.029 -4.530 2.405
162 2HB ASN 22 HB3 ASN 22 -12.361 -4.086 0.720
163 1HD2 ASN 22 HD22 ASN 22 -12.324 -7.384 -0.562
164 2HD2 ASN 22 HD21 ASN 22 -12.473 -5.688 -0.884
165 H THR 23 HN THR 23 -8.305 -2.571 2.287
166 HA THR 23 HA THR 23 -7.828 -4.452 4.497
167 HB THR 23 HB THR 23 -5.471 -4.463 4.374
168 HG1 THR 23 HG1 THR 23 -4.334 -3.519 2.721
169 1HG2 THR 23 HG21 THR 23 -6.644 -6.171 2.930
170 2HG2 THR 23 HG22 THR 23 -6.458 -5.064 1.510
171 3HG2 THR 23 HG23 THR 23 -5.004 -5.729 2.331
172 H SER 24 HN SER 24 -6.220 -3.270 6.098
173 HA SER 24 HA SER 24 -6.107 -0.426 5.845
174 1HB SER 24 HB2 SER 24 -6.783 0.116 8.178
175 2HB SER 24 HB3 SER 24 -8.144 -0.387 7.128
176 HG SER 24 HG SER 24 -6.836 -1.929 9.107
177 H ARG 25 HN ARG 25 -4.522 -2.894 5.502
178 HA ARG 25 HA ARG 25 -2.326 -2.279 7.295
179 1HB ARG 25 HB2 ARG 25 -1.741 -4.796 7.275
180 2HB ARG 25 HB3 ARG 25 -2.940 -4.200 8.450
181 1HG ARG 25 HG2 ARG 25 -3.956 -5.307 5.805
182 2HG ARG 25 HG3 ARG 25 -3.359 -6.431 7.073
183 1HD ARG 25 HD2 ARG 25 -4.990 -5.743 8.687
184 2HD ARG 25 HD3 ARG 25 -5.427 -4.270 7.727
185 HE ARG 25 HE ARG 25 -5.847 -6.712 6.160
186 1HH1 ARG 25 HH22 ARG 25 -7.311 -4.751 8.768
187 2HH1 ARG 25 HH21 ARG 25 -8.935 -5.228 8.394
188 1HH2 ARG 25 HH12 ARG 25 -8.038 -7.327 5.669
189 2HH2 ARG 25 HH11 ARG 25 -9.351 -6.708 6.614
190 H GLY 26 HN GLY 26 -0.560 -1.940 6.101
191 1HA GLY 26 HA1 GLY 26 -0.021 -3.032 3.563
192 2HA GLY 26 HA2 GLY 26 -0.697 -1.342 3.503
193 H LYS 27 HN LYS 27 2.068 -2.198 2.868
194 HA LYS 27 HA LYS 27 3.392 -0.186 4.463
195 1HB LYS 27 HB2 LYS 27 4.771 -2.923 4.049
196 2HB LYS 27 HB3 LYS 27 5.470 -1.448 4.802
197 1HG LYS 27 HG2 LYS 27 3.812 -1.626 6.661
198 2HG LYS 27 HG3 LYS 27 3.172 -3.141 5.922
199 1HD LYS 27 HD2 LYS 27 5.422 -4.207 6.163
200 2HD LYS 27 HD3 LYS 27 6.039 -2.708 6.951
201 1HE LYS 27 HE2 LYS 27 4.359 -2.974 8.803
202 2HE LYS 27 HE3 LYS 27 3.706 -4.463 8.002
203 1HZ LYS 27 HZ3 LYS 27 5.865 -5.483 8.269
204 2HZ LYS 27 HZ1 LYS 27 6.472 -4.089 9.030
205 3HZ LYS 27 HZ2 LYS 27 5.224 -4.981 9.760
206 H CYS 28 HN CYS 28 5.583 0.212 3.214
207 HA CYS 28 HA CYS 28 5.440 -0.595 0.398
208 1HB CYS 28 HB2 CYS 28 5.984 1.782 -0.309
209 2HB CYS 28 HB3 CYS 28 4.362 1.548 0.384
210 H MET 29 HN MET 29 7.579 0.171 -0.665
211 HA MET 29 HA MET 29 9.668 -0.989 0.998
212 1HB MET 29 HB2 MET 29 8.632 -1.933 -1.255
213 2HB MET 29 HB3 MET 29 9.824 -0.870 -2.023
214 1HG MET 29 HG2 MET 29 11.527 -2.001 -0.330
215 2HG MET 29 HG3 MET 29 10.180 -3.143 0.030
216 1HE MET 29 HE3 MET 29 12.240 -4.834 -0.483
217 2HE MET 29 HE1 MET 29 13.051 -4.990 -2.080
218 3HE MET 29 HE2 MET 29 13.296 -3.510 -1.090
219 H ASN 30 HN ASN 30 11.168 0.323 -1.618
220 HA ASN 30 HA ASN 30 12.220 2.533 -0.126
221 1HB ASN 30 HB2 ASN 30 13.872 2.740 -1.985
222 2HB ASN 30 HB3 ASN 30 13.814 1.143 -1.192
223 1HD2 ASN 30 HD22 ASN 30 13.263 1.408 -5.219
224 2HD2 ASN 30 HD21 ASN 30 13.618 2.785 -4.231
225 H LYS 31 HN LYS 31 10.148 2.160 -2.970
226 HA LYS 31 HA LYS 31 9.704 5.081 -3.065
227 1HB LYS 31 HB2 LYS 31 10.467 3.188 -5.329
228 2HB LYS 31 HB3 LYS 31 9.700 4.763 -5.663
229 1HG LYS 31 HG2 LYS 31 11.473 6.025 -4.648
230 2HG LYS 31 HG3 LYS 31 12.356 4.535 -4.168
231 1HD LYS 31 HD2 LYS 31 12.746 3.898 -6.462
232 2HD LYS 31 HD3 LYS 31 11.589 5.129 -7.076
233 1HE LYS 31 HE2 LYS 31 13.950 5.869 -7.461
234 2HE LYS 31 HE3 LYS 31 13.070 6.988 -6.345
235 1HZ LYS 31 HZ1 LYS 31 14.132 5.894 -4.494
236 2HZ LYS 31 HZ2 LYS 31 14.967 4.845 -5.537
237 3HZ LYS 31 HZ3 LYS 31 15.275 6.515 -5.586
238 H LYS 32 HN LYS 32 8.033 1.869 -3.085
239 HA LYS 32 HA LYS 32 5.717 3.213 -4.256
240 1HB LYS 32 HB2 LYS 32 5.344 1.744 -5.981
241 2HB LYS 32 HB3 LYS 32 7.008 2.356 -6.171
242 1HG LYS 32 HG2 LYS 32 7.869 0.222 -5.066
243 2HG LYS 32 HG3 LYS 32 6.175 -0.407 -5.115
244 1HD LYS 32 HD2 LYS 32 6.108 -0.080 -7.575
245 2HD LYS 32 HD3 LYS 32 7.809 0.502 -7.544
246 1HE LYS 32 HE2 LYS 32 7.720 -1.893 -8.264
247 2HE LYS 32 HE3 LYS 32 8.570 -1.756 -6.672
248 1HZ LYS 32 HZ1 LYS 32 5.730 -2.535 -7.091
249 2HZ LYS 32 HZ2 LYS 32 7.025 -3.569 -6.727
250 3HZ LYS 32 HZ3 LYS 32 6.522 -2.409 -5.592
251 1HN ABA 33 HN ABA 33 3.781 2.179 -3.957
252 HA ABA 33 HA ABA 33 3.302 1.116 -1.468
253 1HB ABA 33 HB3 ABA 33 1.496 1.345 -3.931
254 2HB ABA 33 HB2 ABA 33 1.885 2.648 -2.764
255 1HG ABA 33 HG1 ABA 33 0.940 1.284 -0.904
256 2HG ABA 33 HG2 ABA 33 -0.279 1.780 -2.146
257 3HG ABA 33 HG3 ABA 33 0.320 0.078 -2.080
258 H ARG 34 HN ARG 34 2.829 -0.917 -0.727
259 HA ARG 34 HA ARG 34 2.325 -3.134 -2.592
260 1HB ARG 34 HB2 ARG 34 4.344 -2.990 -0.362
261 2HB ARG 34 HB3 ARG 34 3.313 -4.455 -0.342
262 1HG ARG 34 HG2 ARG 34 3.836 -4.930 -2.704
263 2HG ARG 34 HG3 ARG 34 4.996 -3.551 -2.731
264 1HD ARG 34 HD2 ARG 34 6.423 -4.663 -1.004
265 2HD ARG 34 HD3 ARG 34 5.165 -5.935 -0.760
266 HE ARG 34 HE ARG 34 5.797 -7.020 -2.722
267 1HH1 ARG 34 HH22 ARG 34 7.457 -3.845 -2.652
268 2HH1 ARG 34 HH21 ARG 34 8.467 -4.211 -4.011
269 1HH2 ARG 34 HH12 ARG 34 7.153 -7.469 -4.531
270 2HH2 ARG 34 HH11 ARG 34 8.293 -6.292 -5.092
271 H CYS 35 HN CYS 35 1.286 -4.931 -1.006
272 HA CYS 35 HA CYS 35 -0.789 -3.695 0.598
273 1HB CYS 35 HB2 CYS 35 -1.341 -3.861 -2.019
274 2HB CYS 35 HB3 CYS 35 -1.647 -5.576 -1.683
275 H TYR 36 HN TYR 36 -1.446 -5.047 2.083
276 HA TYR 36 HA TYR 36 -0.079 -7.667 2.386
277 1HB TYR 36 HB2 TYR 36 0.152 -5.111 4.079
278 2HB TYR 36 HB3 TYR 36 0.473 -6.715 4.839
279 HD1 TYR 36 HD2 TYR 36 2.290 -8.194 3.788
280 HD2 TYR 36 HD1 TYR 36 1.763 -4.069 2.778
281 HE1 TYR 36 HE2 TYR 36 4.658 -8.068 3.041
282 HE2 TYR 36 HE1 TYR 36 4.133 -3.891 2.141
283 HH TYR 36 HH TYR 36 6.301 -6.769 2.262
284 H SER 37 HN SER 37 -2.149 -8.535 2.007
285 HA SER 37 HA SER 37 -4.325 -7.841 3.816
286 1HB SER 37 HB2 SER 37 -5.657 -9.471 2.481
287 2HB SER 37 HB3 SER 37 -4.939 -8.148 1.490
288 HG SER 37 HG SER 37 -4.700 -10.185 0.552
No H/Q in entry = 288
Start of MODEL 11
1 HA PCA 1 HA PGL 1 -4.135 -7.567 -3.644
2 1HB PCA 1 HB2 PGL 1 -2.096 -9.845 -4.000
3 2HB PCA 1 HB3 PGL 1 -3.401 -9.685 -2.761
4 1HG PCA 1 HG2 PGL 1 -3.623 -11.232 -5.096
5 2HG PCA 1 HG3 PGL 1 -5.066 -10.400 -4.352
6 HN PCA 1 HN PGL 1 -3.669 -7.240 -6.153
7 H PHE 2 HN PHE 2 -2.209 -6.333 -5.861
8 HA PHE 2 HA PHE 2 -0.394 -5.103 -3.976
9 1HB PHE 2 HB2 PHE 2 0.443 -6.703 -6.488
10 2HB PHE 2 HB3 PHE 2 1.440 -5.323 -5.914
11 HD1 PHE 2 HD2 PHE 2 1.921 -5.294 -3.296
12 HD2 PHE 2 HD1 PHE 2 1.049 -8.808 -5.615
13 HE1 PHE 2 HE2 PHE 2 3.041 -6.691 -1.594
14 HE2 PHE 2 HE1 PHE 2 2.180 -10.205 -3.916
15 HZ PHE 2 HZ PHE 2 3.174 -9.150 -1.901
16 H THR 3 HN THR 3 0.465 -3.150 -4.857
17 HA THR 3 HA THR 3 -1.169 -1.824 -6.910
18 HB THR 3 HB THR 3 -0.651 0.252 -5.344
19 HG1 THR 3 HG1 THR 3 0.044 -0.189 -3.468
20 1HG2 THR 3 HG22 THR 3 -2.717 -1.893 -4.537
21 2HG2 THR 3 HG23 THR 3 -2.701 -0.177 -3.990
22 3HG2 THR 3 HG21 THR 3 -2.931 -0.558 -5.739
23 H ASN 4 HN ASN 4 0.125 0.226 -7.668
24 HA ASN 4 HA ASN 4 2.994 0.009 -7.483
25 1HB ASN 4 HB2 ASN 4 3.231 0.112 -10.023
26 2HB ASN 4 HB3 ASN 4 2.788 -1.473 -9.343
27 1HD2 ASN 4 HD22 ASN 4 -0.311 -1.785 -11.034
28 2HD2 ASN 4 HD21 ASN 4 0.761 -2.417 -9.829
29 H VAL 5 HN VAL 5 1.683 1.794 -6.137
30 HA VAL 5 HA VAL 5 1.667 4.305 -7.668
31 HB VAL 5 HB VAL 5 0.991 4.158 -4.707
32 1HG1 VAL 5 HG11 VAL 5 -0.118 5.721 -7.154
33 2HG1 VAL 5 HG12 VAL 5 -0.628 5.932 -5.438
34 3HG1 VAL 5 HG13 VAL 5 1.032 6.393 -5.941
35 1HG2 VAL 5 HG23 VAL 5 -0.765 3.094 -6.992
36 2HG2 VAL 5 HG21 VAL 5 -0.223 2.260 -5.470
37 3HG2 VAL 5 HG22 VAL 5 -1.375 3.639 -5.391
38 H SER 6 HN SER 6 2.650 6.097 -5.804
39 HA SER 6 HA SER 6 5.360 5.151 -5.124
40 1HB SER 6 HB2 SER 6 5.998 7.611 -5.092
41 2HB SER 6 HB3 SER 6 5.637 6.878 -6.680
42 HG SER 6 HG SER 6 3.828 8.412 -5.125
43 H CYS 7 HN CYS 7 5.980 5.089 -3.120
44 HA CYS 7 HA CYS 7 4.438 6.531 -1.000
45 1HB CYS 7 HB2 CYS 7 3.332 4.544 -0.995
46 2HB CYS 7 HB3 CYS 7 4.778 3.550 -1.083
47 H THR 8 HN THR 8 5.615 7.001 0.817
48 HA THR 8 HA THR 8 8.471 6.336 0.948
49 HB THR 8 HB THR 8 8.938 8.674 1.863
50 HG1 THR 8 HG1 THR 8 6.524 9.181 0.447
51 1HG2 THR 8 HG21 THR 8 9.740 7.816 -0.349
52 2HG2 THR 8 HG22 THR 8 8.226 8.405 -1.133
53 3HG2 THR 8 HG23 THR 8 9.372 9.578 -0.387
54 H THR 9 HN THR 9 5.541 7.665 2.572
55 HA THR 9 HA THR 9 6.426 6.595 5.162
56 HB THR 9 HB THR 9 4.490 8.072 6.031
57 HG1 THR 9 HG1 THR 9 4.079 9.832 4.671
58 1HG2 THR 9 HG23 THR 9 6.913 8.555 6.312
59 2HG2 THR 9 HG21 THR 9 6.953 9.373 4.702
60 3HG2 THR 9 HG22 THR 9 5.951 10.056 6.041
61 H SER 10 HN SER 10 5.411 4.876 6.043
62 HA SER 10 HA SER 10 3.228 3.579 4.636
63 1HB SER 10 HB2 SER 10 4.874 2.661 7.067
64 2HB SER 10 HB3 SER 10 3.669 1.670 6.150
65 HG SER 10 HG SER 10 6.020 2.869 5.123
66 H LYS 11 HN LYS 11 1.693 5.223 5.053
67 HA LYS 11 HA LYS 11 0.018 4.966 7.280
68 1HB LYS 11 HB2 LYS 11 1.849 6.379 8.372
69 2HB LYS 11 HB3 LYS 11 1.607 7.629 7.120
70 1HG LYS 11 HG2 LYS 11 -0.815 7.841 7.927
71 2HG LYS 11 HG3 LYS 11 -0.447 6.650 9.218
72 1HD LYS 11 HD2 LYS 11 0.938 9.397 8.855
73 2HD LYS 11 HD3 LYS 11 -0.474 9.062 9.906
74 1HE LYS 11 HE2 LYS 11 1.360 9.073 11.401
75 2HE LYS 11 HE3 LYS 11 0.984 7.320 11.165
76 1HZ LYS 11 HZ1 LYS 11 3.137 8.872 9.813
77 2HZ LYS 11 HZ2 LYS 11 3.332 7.790 11.107
78 3HZ LYS 11 HZ3 LYS 11 2.809 7.220 9.594
79 H GLU 12 HN GLU 12 1.389 7.056 4.693
80 HA GLU 12 HA GLU 12 -0.641 8.438 3.729
81 1HB GLU 12 HB2 GLU 12 1.888 8.423 3.396
82 2HB GLU 12 HB3 GLU 12 1.716 7.176 2.162
83 1HG GLU 12 HG2 GLU 12 0.254 9.899 2.031
84 2HG GLU 12 HG3 GLU 12 1.971 9.704 1.527
85 1HN ABA 13 HN ABA 13 0.351 5.181 2.608
86 HA ABA 13 HA ABA 13 -1.601 5.187 0.423
87 1HB ABA 13 HB3 ABA 13 0.766 5.011 -0.120
88 2HB ABA 13 HB2 ABA 13 -0.129 3.559 -0.602
89 1HG ABA 13 HG1 ABA 13 0.856 2.322 1.413
90 2HG ABA 13 HG2 ABA 13 2.092 3.080 0.333
91 3HG ABA 13 HG3 ABA 13 1.671 3.869 1.898
92 H TRP 14 HN TRP 14 -2.315 4.543 3.293
93 HA TRP 14 HA TRP 14 -3.008 1.741 3.275
94 1HB TRP 14 HB2 TRP 14 -3.317 4.005 5.318
95 2HB TRP 14 HB3 TRP 14 -4.023 2.375 5.588
96 HD1 TRP 14 HD1 TRP 14 -0.335 3.109 4.285
97 HE1 TRP 14 HE1 TRP 14 1.105 1.449 5.538
98 HE3 TRP 14 HE3 TRP 14 -3.781 1.409 7.659
99 HZ2 TRP 14 HZ2 TRP 14 0.973 -0.127 7.903
100 HZ3 TRP 14 HZ3 TRP 14 -3.059 -0.209 9.378
101 HH2 TRP 14 HH2 TRP 14 -0.724 -1.020 9.449
102 H SER 15 HN SER 15 -4.580 4.759 2.319
103 HA SER 15 HA SER 15 -7.249 3.661 2.347
104 1HB SER 15 HB2 SER 15 -7.897 5.961 1.552
105 2HB SER 15 HB3 SER 15 -7.054 5.931 3.135
106 HG SER 15 HG SER 15 -6.305 7.551 1.761
107 H VAL 16 HN VAL 16 -4.536 3.365 0.456
108 HA VAL 16 HA VAL 16 -5.879 3.264 -2.150
109 HB VAL 16 HB VAL 16 -2.933 2.795 -1.438
110 1HG1 VAL 16 HG13 VAL 16 -4.428 3.293 -4.107
111 2HG1 VAL 16 HG11 VAL 16 -2.641 3.259 -3.892
112 3HG1 VAL 16 HG12 VAL 16 -3.596 1.765 -3.626
113 1HG2 VAL 16 HG23 VAL 16 -4.410 5.335 -2.382
114 2HG2 VAL 16 HG21 VAL 16 -3.575 5.105 -0.798
115 3HG2 VAL 16 HG22 VAL 16 -2.623 5.128 -2.322
116 H CYS 17 HN CYS 17 -4.493 1.109 0.385
117 HA CYS 17 HA CYS 17 -5.060 -1.291 -1.015
118 1HB CYS 17 HB2 CYS 17 -4.311 -0.475 1.810
119 2HB CYS 17 HB3 CYS 17 -4.914 -2.140 1.582
120 H GLN 18 HN GLN 18 -7.175 0.957 0.631
121 HA GLN 18 HA GLN 18 -9.189 -0.918 1.379
122 1HB GLN 18 HB2 GLN 18 -8.395 1.167 2.600
123 2HB GLN 18 HB3 GLN 18 -9.204 2.174 1.381
124 1HG GLN 18 HG2 GLN 18 -10.574 -0.053 3.012
125 2HG GLN 18 HG3 GLN 18 -10.381 1.635 3.629
126 1HE2 GLN 18 HE22 GLN 18 -13.598 0.782 1.336
127 2HE2 GLN 18 HE21 GLN 18 -12.603 -0.399 2.122
128 H ARG 19 HN ARG 19 -8.880 1.824 -0.876
129 HA ARG 19 HA ARG 19 -11.409 1.456 -2.126
130 1HB ARG 19 HB2 ARG 19 -9.155 3.390 -2.723
131 2HB ARG 19 HB3 ARG 19 -10.777 3.401 -3.513
132 1HG ARG 19 HG2 ARG 19 -11.834 3.491 -1.213
133 2HG ARG 19 HG3 ARG 19 -10.210 3.802 -0.516
134 1HD ARG 19 HD2 ARG 19 -11.576 5.469 -2.730
135 2HD ARG 19 HD3 ARG 19 -11.618 5.892 -0.969
136 HE ARG 19 HE ARG 19 -9.120 5.744 -2.730
137 1HH1 ARG 19 HH12 ARG 19 -10.747 7.101 0.160
138 2HH1 ARG 19 HH11 ARG 19 -9.416 8.131 0.572
139 1HH2 ARG 19 HH22 ARG 19 -7.363 7.129 -2.145
140 2HH2 ARG 19 HH21 ARG 19 -7.479 8.146 -0.746
141 H LEU 20 HN LEU 20 -8.379 -0.050 -2.769
142 HA LEU 20 HA LEU 20 -8.933 -0.691 -5.570
143 1HB LEU 20 HB2 LEU 20 -6.638 -0.982 -3.646
144 2HB LEU 20 HB3 LEU 20 -6.754 -2.261 -4.888
145 HG LEU 20 HG LEU 20 -5.237 -0.417 -5.390
146 1HD1 LEU 20 HD11 LEU 20 -6.057 -2.002 -7.110
147 2HD1 LEU 20 HD12 LEU 20 -7.459 -0.927 -7.470
148 3HD1 LEU 20 HD13 LEU 20 -5.781 -0.369 -7.824
149 1HD2 LEU 20 HD23 LEU 20 -6.594 1.582 -4.681
150 2HD2 LEU 20 HD21 LEU 20 -6.005 1.710 -6.376
151 3HD2 LEU 20 HD22 LEU 20 -7.725 1.293 -6.055
152 H HIS 21 HN HIS 21 -8.143 -2.477 -2.543
153 HA HIS 21 HA HIS 21 -9.665 -4.800 -3.431
154 1HB HIS 21 HB2 HIS 21 -7.587 -4.462 -1.189
155 2HB HIS 21 HB3 HIS 21 -8.308 -6.014 -1.763
156 HD1 HIS 21 HD1 HIS 21 -7.609 -6.593 -4.393
157 HD2 HIS 21 HD2 HIS 21 -5.447 -3.489 -2.582
158 HE1 HIS 21 HE1 HIS 21 -5.525 -6.148 -5.803
159 H ASN 22 HN ASN 22 -9.085 -4.624 -0.123
160 HA ASN 22 HA ASN 22 -11.165 -3.176 0.935
161 1HB ASN 22 HB2 ASN 22 -12.845 -4.922 1.671
162 2HB ASN 22 HB3 ASN 22 -12.902 -4.550 -0.061
163 1HD2 ASN 22 HD22 ASN 22 -11.994 -7.833 -1.195
164 2HD2 ASN 22 HD21 ASN 22 -12.041 -6.155 -1.624
165 H THR 23 HN THR 23 -8.755 -3.080 1.796
166 HA THR 23 HA THR 23 -8.736 -4.603 4.256
167 HB THR 23 HB THR 23 -7.532 -6.004 2.482
168 HG1 THR 23 HG1 THR 23 -7.314 -6.274 4.671
169 1HG2 THR 23 HG21 THR 23 -6.246 -4.123 1.368
170 2HG2 THR 23 HG22 THR 23 -5.284 -3.934 2.891
171 3HG2 THR 23 HG23 THR 23 -5.196 -5.458 1.964
172 H SER 24 HN SER 24 -6.483 -3.774 5.395
173 HA SER 24 HA SER 24 -6.132 -0.939 4.984
174 1HB SER 24 HB2 SER 24 -6.684 -0.331 7.375
175 2HB SER 24 HB3 SER 24 -8.111 -0.795 6.396
176 HG SER 24 HG SER 24 -8.124 -1.733 8.430
177 H ARG 25 HN ARG 25 -4.762 -3.700 4.904
178 HA ARG 25 HA ARG 25 -2.410 -2.940 6.524
179 1HB ARG 25 HB2 ARG 25 -3.257 -5.803 5.709
180 2HB ARG 25 HB3 ARG 25 -1.719 -5.322 6.496
181 1HG ARG 25 HG2 ARG 25 -2.943 -6.273 8.201
182 2HG ARG 25 HG3 ARG 25 -3.041 -4.510 8.504
183 1HD ARG 25 HD2 ARG 25 -5.220 -5.738 8.952
184 2HD ARG 25 HD3 ARG 25 -5.392 -4.481 7.680
185 HE ARG 25 HE ARG 25 -5.598 -6.122 5.988
186 1HH1 ARG 25 HH22 ARG 25 -4.935 -7.735 9.120
187 2HH1 ARG 25 HH21 ARG 25 -5.343 -9.313 8.534
188 1HH2 ARG 25 HH12 ARG 25 -6.172 -8.235 5.251
189 2HH2 ARG 25 HH11 ARG 25 -6.056 -9.601 6.308
190 H GLY 26 HN GLY 26 -0.808 -2.402 5.306
191 1HA GLY 26 HA1 GLY 26 0.235 -3.376 3.053
192 2HA GLY 26 HA2 GLY 26 -1.113 -2.328 2.444
193 H LYS 27 HN LYS 27 2.077 -2.285 2.927
194 HA LYS 27 HA LYS 27 2.305 0.391 4.129
195 1HB LYS 27 HB2 LYS 27 4.239 -2.024 4.200
196 2HB LYS 27 HB3 LYS 27 4.574 -0.394 4.896
197 1HG LYS 27 HG2 LYS 27 2.664 -0.658 6.440
198 2HG LYS 27 HG3 LYS 27 2.397 -2.337 5.828
199 1HD LYS 27 HD2 LYS 27 4.411 -3.148 6.772
200 2HD LYS 27 HD3 LYS 27 5.164 -1.518 6.826
201 1HE LYS 27 HE2 LYS 27 4.590 -2.357 9.124
202 2HE LYS 27 HE3 LYS 27 3.744 -0.811 8.705
203 1HZ LYS 27 HZ1 LYS 27 1.783 -2.086 8.181
204 2HZ LYS 27 HZ2 LYS 27 2.565 -3.539 8.586
205 3HZ LYS 27 HZ3 LYS 27 2.294 -2.357 9.778
206 H CYS 28 HN CYS 28 5.231 0.071 3.275
207 HA CYS 28 HA CYS 28 5.209 -0.415 0.480
208 1HB CYS 28 HB2 CYS 28 6.050 1.888 -0.232
209 2HB CYS 28 HB3 CYS 28 4.365 1.830 0.312
210 H MET 29 HN MET 29 7.446 0.134 -0.427
211 HA MET 29 HA MET 29 9.441 -0.969 1.362
212 1HB MET 29 HB2 MET 29 8.683 -1.900 -0.949
213 2HB MET 29 HB3 MET 29 9.646 -0.595 -1.670
214 1HG MET 29 HG2 MET 29 11.620 -1.531 -0.218
215 2HG MET 29 HG3 MET 29 10.506 -2.868 0.233
216 1HE MET 29 HE3 MET 29 13.443 -3.021 -1.072
217 2HE MET 29 HE1 MET 29 12.474 -4.442 -0.548
218 3HE MET 29 HE2 MET 29 13.226 -4.419 -2.180
219 H ASN 30 HN ASN 30 11.151 0.518 -0.977
220 HA ASN 30 HA ASN 30 11.685 2.908 0.547
221 1HB ASN 30 HB2 ASN 30 13.548 3.222 -1.238
222 2HB ASN 30 HB3 ASN 30 13.660 1.922 -0.027
223 1HD2 ASN 30 HD22 ASN 30 13.863 -0.713 -2.332
224 2HD2 ASN 30 HD21 ASN 30 13.989 -0.148 -0.700
225 H LYS 31 HN LYS 31 10.136 2.163 -2.557
226 HA LYS 31 HA LYS 31 9.699 5.055 -3.012
227 1HB LYS 31 HB2 LYS 31 10.625 2.934 -5.008
228 2HB LYS 31 HB3 LYS 31 10.113 4.596 -5.460
229 1HG LYS 31 HG2 LYS 31 11.941 5.564 -4.066
230 2HG LYS 31 HG3 LYS 31 12.488 3.907 -3.662
231 1HD LYS 31 HD2 LYS 31 13.864 4.073 -5.416
232 2HD LYS 31 HD3 LYS 31 12.418 3.723 -6.419
233 1HE LYS 31 HE2 LYS 31 13.578 6.521 -5.716
234 2HE LYS 31 HE3 LYS 31 13.699 5.683 -7.314
235 1HZ LYS 31 HZ3 LYS 31 11.297 5.793 -7.480
236 2HZ LYS 31 HZ1 LYS 31 11.204 6.597 -5.986
237 3HZ LYS 31 HZ2 LYS 31 11.987 7.334 -7.301
238 H LYS 32 HN LYS 32 7.998 1.909 -2.881
239 HA LYS 32 HA LYS 32 5.848 3.117 -4.460
240 1HB LYS 32 HB2 LYS 32 5.623 1.362 -5.965
241 2HB LYS 32 HB3 LYS 32 7.272 2.025 -6.109
242 1HG LYS 32 HG2 LYS 32 8.116 0.114 -4.615
243 2HG LYS 32 HG3 LYS 32 6.495 -0.653 -4.804
244 1HD LYS 32 HD2 LYS 32 6.792 -0.537 -7.306
245 2HD LYS 32 HD3 LYS 32 8.431 0.156 -7.048
246 1HE LYS 32 HE2 LYS 32 9.081 -1.968 -5.771
247 2HE LYS 32 HE3 LYS 32 7.454 -2.659 -6.176
248 1HZ LYS 32 HZ3 LYS 32 8.012 -2.420 -8.509
249 2HZ LYS 32 HZ1 LYS 32 9.546 -1.813 -8.107
250 3HZ LYS 32 HZ2 LYS 32 9.127 -3.403 -7.687
251 1HN ABA 33 HN ABA 33 3.776 2.122 -4.198
252 HA ABA 33 HA ABA 33 3.299 1.310 -1.548
253 1HB ABA 33 HB3 ABA 33 1.414 1.611 -3.926
254 2HB ABA 33 HB2 ABA 33 1.915 2.880 -2.753
255 1HG ABA 33 HG1 ABA 33 -0.272 2.086 -2.086
256 2HG ABA 33 HG2 ABA 33 0.286 0.378 -1.978
257 3HG ABA 33 HG3 ABA 33 0.982 1.587 -0.878
258 H ARG 34 HN ARG 34 2.700 -0.622 -0.734
259 HA ARG 34 HA ARG 34 2.611 -3.063 -2.384
260 1HB ARG 34 HB2 ARG 34 4.041 -2.414 0.239
261 2HB ARG 34 HB3 ARG 34 3.340 -4.054 0.054
262 1HG ARG 34 HG2 ARG 34 5.650 -4.128 -0.478
263 2HG ARG 34 HG3 ARG 34 4.628 -4.554 -1.893
264 1HD ARG 34 HD2 ARG 34 5.147 -2.322 -2.951
265 2HD ARG 34 HD3 ARG 34 6.042 -1.833 -1.459
266 HE ARG 34 HE ARG 34 7.870 -3.093 -2.147
267 1HH1 ARG 34 HH22 ARG 34 5.045 -4.201 -4.051
268 2HH1 ARG 34 HH21 ARG 34 5.987 -5.232 -5.077
269 1HH2 ARG 34 HH12 ARG 34 9.099 -4.484 -3.536
270 2HH2 ARG 34 HH11 ARG 34 8.308 -5.393 -4.780
271 H CYS 35 HN CYS 35 1.267 -4.755 -1.150
272 HA CYS 35 HA CYS 35 -0.613 -3.684 0.711
273 1HB CYS 35 HB2 CYS 35 -1.510 -3.330 -1.755
274 2HB CYS 35 HB3 CYS 35 -1.869 -5.074 -1.722
275 H TYR 36 HN TYR 36 -1.139 -5.099 2.098
276 HA TYR 36 HA TYR 36 0.195 -7.749 1.984
277 1HB TYR 36 HB2 TYR 36 0.459 -5.392 3.952
278 2HB TYR 36 HB3 TYR 36 0.985 -7.046 4.428
279 HD1 TYR 36 HD1 TYR 36 2.377 -8.101 2.091
280 HD2 TYR 36 HD2 TYR 36 2.346 -4.121 3.703
281 HE1 TYR 36 HE1 TYR 36 4.680 -7.752 1.275
282 HE2 TYR 36 HE2 TYR 36 4.669 -3.778 2.928
283 HH TYR 36 HH TYR 36 6.451 -6.375 1.191
284 H SER 37 HN SER 37 -2.279 -8.061 1.509
285 HA SER 37 HA SER 37 -3.958 -8.026 3.865
286 1HB SER 37 HB2 SER 37 -5.643 -9.162 2.401
287 2HB SER 37 HB3 SER 37 -5.084 -7.564 1.793
288 HG SER 37 HG SER 37 -5.178 -9.139 0.186
No H/Q in entry = 288
Start of MODEL 12
1 HA PCA 1 HA PGL 1 -4.643 -7.407 -5.793
2 1HB PCA 1 HB2 PGL 1 -2.914 -9.368 -4.562
3 2HB PCA 1 HB3 PGL 1 -4.545 -9.635 -5.260
4 1HG PCA 1 HG2 PGL 1 -1.852 -10.228 -6.524
5 2HG PCA 1 HG3 PGL 1 -3.457 -11.062 -6.747
6 HN PCA 1 HN PGL 1 -3.742 -7.160 -8.027
7 H PHE 2 HN PHE 2 -1.816 -6.474 -7.264
8 HA PHE 2 HA PHE 2 -0.571 -5.296 -4.863
9 1HB PHE 2 HB2 PHE 2 0.676 -6.004 -7.607
10 2HB PHE 2 HB3 PHE 2 1.541 -5.252 -6.207
11 HD1 PHE 2 HD1 PHE 2 1.304 -6.570 -3.909
12 HD2 PHE 2 HD2 PHE 2 0.771 -8.324 -7.801
13 HE1 PHE 2 HE1 PHE 2 1.715 -8.812 -2.958
14 HE2 PHE 2 HE2 PHE 2 1.192 -10.564 -6.846
15 HZ PHE 2 HZ PHE 2 1.650 -10.816 -4.420
16 H THR 3 HN THR 3 0.358 -3.145 -5.207
17 HA THR 3 HA THR 3 -1.208 -1.465 -7.046
18 HB THR 3 HB THR 3 -0.731 0.298 -5.194
19 HG1 THR 3 HG1 THR 3 0.513 -0.505 -3.756
20 1HG2 THR 3 HG21 THR 3 -2.609 -2.112 -4.701
21 2HG2 THR 3 HG22 THR 3 -2.663 -0.557 -3.801
22 3HG2 THR 3 HG23 THR 3 -2.966 -0.574 -5.584
23 H ASN 4 HN ASN 4 -0.002 0.419 -7.876
24 HA ASN 4 HA ASN 4 2.906 0.235 -7.776
25 1HB ASN 4 HB2 ASN 4 3.027 0.425 -10.290
26 2HB ASN 4 HB3 ASN 4 2.471 -1.159 -9.689
27 1HD2 ASN 4 HD22 ASN 4 0.129 0.960 -12.277
28 2HD2 ASN 4 HD21 ASN 4 1.708 1.485 -11.793
29 H VAL 5 HN VAL 5 1.486 1.921 -6.284
30 HA VAL 5 HA VAL 5 1.538 4.545 -7.576
31 HB VAL 5 HB VAL 5 0.975 4.049 -4.623
32 1HG1 VAL 5 HG13 VAL 5 -0.108 6.022 -6.768
33 2HG1 VAL 5 HG11 VAL 5 -0.625 5.958 -5.043
34 3HG1 VAL 5 HG12 VAL 5 1.047 6.449 -5.451
35 1HG2 VAL 5 HG23 VAL 5 -0.881 3.428 -6.994
36 2HG2 VAL 5 HG21 VAL 5 -0.362 2.342 -5.634
37 3HG2 VAL 5 HG22 VAL 5 -1.443 3.744 -5.315
38 H SER 6 HN SER 6 2.616 6.129 -5.556
39 HA SER 6 HA SER 6 5.342 5.096 -5.079
40 1HB SER 6 HB2 SER 6 6.099 7.526 -5.041
41 2HB SER 6 HB3 SER 6 5.680 6.809 -6.622
42 HG SER 6 HG SER 6 4.820 8.874 -6.342
43 H CYS 7 HN CYS 7 6.043 5.013 -3.062
44 HA CYS 7 HA CYS 7 4.527 6.446 -0.913
45 1HB CYS 7 HB2 CYS 7 3.323 4.512 -0.966
46 2HB CYS 7 HB3 CYS 7 4.729 3.461 -1.080
47 H THR 8 HN THR 8 5.695 6.844 0.890
48 HA THR 8 HA THR 8 8.501 6.010 1.087
49 HB THR 8 HB THR 8 9.060 8.316 2.041
50 HG1 THR 8 HG1 THR 8 7.816 9.983 1.208
51 1HG2 THR 8 HG22 THR 8 9.860 7.427 -0.174
52 2HG2 THR 8 HG23 THR 8 8.399 8.114 -0.973
53 3HG2 THR 8 HG21 THR 8 9.598 9.209 -0.194
54 H THR 9 HN THR 9 5.605 7.481 2.655
55 HA THR 9 HA THR 9 6.419 6.447 5.273
56 HB THR 9 HB THR 9 4.521 7.959 6.103
57 HG1 THR 9 HG1 THR 9 4.868 8.981 3.472
58 1HG2 THR 9 HG22 THR 9 6.948 8.460 6.307
59 2HG2 THR 9 HG23 THR 9 6.949 9.202 4.659
60 3HG2 THR 9 HG21 THR 9 5.979 9.945 5.989
61 H SER 10 HN SER 10 5.382 4.829 6.271
62 HA SER 10 HA SER 10 3.298 3.367 4.895
63 1HB SER 10 HB2 SER 10 3.802 1.608 6.660
64 2HB SER 10 HB3 SER 10 5.161 2.057 5.579
65 HG SER 10 HG SER 10 4.747 3.033 8.201
66 H LYS 11 HN LYS 11 1.745 5.110 5.209
67 HA LYS 11 HA LYS 11 -0.062 4.735 7.280
68 1HB LYS 11 HB2 LYS 11 1.845 6.201 8.406
69 2HB LYS 11 HB3 LYS 11 1.200 7.551 7.464
70 1HG LYS 11 HG2 LYS 11 -0.393 5.687 9.343
71 2HG LYS 11 HG3 LYS 11 0.435 7.171 9.924
72 1HD LYS 11 HD2 LYS 11 -1.917 7.183 7.914
73 2HD LYS 11 HD3 LYS 11 -2.046 7.340 9.685
74 1HE LYS 11 HE2 LYS 11 -2.186 9.566 8.802
75 2HE LYS 11 HE3 LYS 11 -0.573 9.417 9.606
76 1HZ LYS 11 HZ3 LYS 11 0.387 9.060 7.413
77 2HZ LYS 11 HZ1 LYS 11 -1.138 9.247 6.689
78 3HZ LYS 11 HZ2 LYS 11 -0.425 10.547 7.519
79 H GLU 12 HN GLU 12 1.406 6.882 4.793
80 HA GLU 12 HA GLU 12 -0.640 8.299 3.873
81 1HB GLU 12 HB2 GLU 12 1.955 8.189 3.498
82 2HB GLU 12 HB3 GLU 12 1.607 7.250 2.049
83 1HG GLU 12 HG2 GLU 12 0.453 10.053 2.714
84 2HG GLU 12 HG3 GLU 12 1.976 9.780 1.796
85 1HN ABA 13 HN ABA 13 0.285 5.037 2.673
86 HA ABA 13 HA ABA 13 -1.698 5.135 0.507
87 1HB ABA 13 HB3 ABA 13 0.610 4.936 -0.168
88 2HB ABA 13 HB2 ABA 13 -0.291 3.460 -0.562
89 1HG ABA 13 HG1 ABA 13 1.996 3.060 0.271
90 2HG ABA 13 HG2 ABA 13 1.613 3.841 1.849
91 3HG ABA 13 HG3 ABA 13 0.801 2.284 1.397
92 H TRP 14 HN TRP 14 -2.552 4.598 3.251
93 HA TRP 14 HA TRP 14 -3.255 1.800 3.339
94 1HB TRP 14 HB2 TRP 14 -3.709 4.154 5.230
95 2HB TRP 14 HB3 TRP 14 -4.459 2.544 5.511
96 HD1 TRP 14 HD1 TRP 14 -0.680 3.204 4.472
97 HE1 TRP 14 HE1 TRP 14 0.694 1.691 5.933
98 HE3 TRP 14 HE3 TRP 14 -4.386 1.612 7.622
99 HZ2 TRP 14 HZ2 TRP 14 0.325 0.039 8.241
100 HZ3 TRP 14 HZ3 TRP 14 -3.814 -0.004 9.399
101 HH2 TRP 14 HH2 TRP 14 -1.498 -0.824 9.665
102 H SER 15 HN SER 15 -4.743 4.781 2.111
103 HA SER 15 HA SER 15 -7.391 3.640 1.943
104 1HB SER 15 HB2 SER 15 -8.006 5.878 0.977
105 2HB SER 15 HB3 SER 15 -7.311 5.945 2.629
106 HG SER 15 HG SER 15 -6.485 7.517 1.238
107 H VAL 16 HN VAL 16 -4.541 3.232 0.335
108 HA VAL 16 HA VAL 16 -5.632 2.993 -2.374
109 HB VAL 16 HB VAL 16 -2.799 2.503 -1.321
110 1HG1 VAL 16 HG12 VAL 16 -3.343 1.309 -3.496
111 2HG1 VAL 16 HG13 VAL 16 -3.890 2.874 -4.199
112 3HG1 VAL 16 HG11 VAL 16 -2.165 2.633 -3.707
113 1HG2 VAL 16 HG22 VAL 16 -4.074 4.982 -2.655
114 2HG2 VAL 16 HG23 VAL 16 -3.433 4.878 -0.970
115 3HG2 VAL 16 HG21 VAL 16 -2.312 4.738 -2.365
116 H CYS 17 HN CYS 17 -4.547 0.995 0.421
117 HA CYS 17 HA CYS 17 -5.185 -1.493 -0.819
118 1HB CYS 17 HB2 CYS 17 -4.865 -0.556 2.099
119 2HB CYS 17 HB3 CYS 17 -5.223 -2.265 1.706
120 H GLN 18 HN GLN 18 -7.253 1.063 0.486
121 HA GLN 18 HA GLN 18 -9.336 -0.708 1.335
122 1HB GLN 18 HB2 GLN 18 -8.482 1.464 2.431
123 2HB GLN 18 HB3 GLN 18 -9.431 2.347 1.202
124 1HG GLN 18 HG2 GLN 18 -11.483 1.009 1.962
125 2HG GLN 18 HG3 GLN 18 -10.428 0.186 3.177
126 1HE2 GLN 18 HE22 GLN 18 -9.920 3.284 5.147
127 2HE2 GLN 18 HE21 GLN 18 -9.024 1.949 4.500
128 H ARG 19 HN ARG 19 -8.735 1.652 -1.313
129 HA ARG 19 HA ARG 19 -11.396 1.409 -2.392
130 1HB ARG 19 HB2 ARG 19 -9.050 3.144 -3.181
131 2HB ARG 19 HB3 ARG 19 -10.691 3.186 -3.938
132 1HG ARG 19 HG2 ARG 19 -11.665 3.565 -1.612
133 2HG ARG 19 HG3 ARG 19 -9.993 3.774 -1.002
134 1HD ARG 19 HD2 ARG 19 -11.312 5.405 -3.258
135 2HD ARG 19 HD3 ARG 19 -11.170 5.944 -1.527
136 HE ARG 19 HE ARG 19 -8.770 5.297 -3.321
137 1HH1 ARG 19 HH22 ARG 19 -10.304 7.484 -0.942
138 2HH1 ARG 19 HH21 ARG 19 -8.928 8.530 -0.832
139 1HH2 ARG 19 HH12 ARG 19 -6.948 6.698 -3.149
140 2HH2 ARG 19 HH11 ARG 19 -6.995 8.077 -2.104
141 H LEU 20 HN LEU 20 -8.366 -0.217 -2.946
142 HA LEU 20 HA LEU 20 -8.860 -0.867 -5.750
143 1HB LEU 20 HB2 LEU 20 -6.626 -1.225 -3.734
144 2HB LEU 20 HB3 LEU 20 -6.657 -2.366 -5.114
145 HG LEU 20 HG LEU 20 -5.148 -0.428 -5.313
146 1HD1 LEU 20 HD13 LEU 20 -5.800 -1.853 -7.239
147 2HD1 LEU 20 HD11 LEU 20 -7.223 -0.791 -7.564
148 3HD1 LEU 20 HD12 LEU 20 -5.551 -0.145 -7.761
149 1HD2 LEU 20 HD21 LEU 20 -6.632 1.443 -4.508
150 2HD2 LEU 20 HD22 LEU 20 -5.920 1.758 -6.133
151 3HD2 LEU 20 HD23 LEU 20 -7.642 1.250 -5.989
152 H HIS 21 HN HIS 21 -8.099 -2.686 -2.709
153 HA HIS 21 HA HIS 21 -9.929 -4.840 -3.506
154 1HB HIS 21 HB2 HIS 21 -8.424 -5.980 -1.526
155 2HB HIS 21 HB3 HIS 21 -8.060 -6.036 -3.276
156 HD1 HIS 21 HD1 HIS 21 -6.841 -4.449 -0.120
157 HD2 HIS 21 HD2 HIS 21 -5.782 -4.506 -4.179
158 HE1 HIS 21 HE1 HIS 21 -4.564 -3.390 -0.393
159 H ASN 22 HN ASN 22 -9.048 -4.671 -0.179
160 HA ASN 22 HA ASN 22 -10.870 -2.853 0.812
161 1HB ASN 22 HB2 ASN 22 -12.772 -4.430 1.668
162 2HB ASN 22 HB3 ASN 22 -12.837 -3.857 -0.005
163 1HD2 ASN 22 HD22 ASN 22 -13.137 -7.066 -1.376
164 2HD2 ASN 22 HD21 ASN 22 -13.388 -5.356 -1.492
165 H THR 23 HN THR 23 -8.616 -2.939 1.842
166 HA THR 23 HA THR 23 -8.995 -4.218 4.378
167 HB THR 23 HB THR 23 -7.882 -6.019 3.059
168 HG1 THR 23 HG1 THR 23 -7.737 -5.846 5.277
169 1HG2 THR 23 HG21 THR 23 -5.460 -4.099 3.037
170 2HG2 THR 23 HG22 THR 23 -5.431 -5.855 2.683
171 3HG2 THR 23 HG23 THR 23 -6.367 -4.737 1.601
172 H SER 24 HN SER 24 -6.410 -3.576 5.422
173 HA SER 24 HA SER 24 -6.324 -0.655 5.180
174 1HB SER 24 HB2 SER 24 -6.605 -2.245 7.815
175 2HB SER 24 HB3 SER 24 -6.247 -0.476 7.689
176 HG SER 24 HG SER 24 -8.224 -0.261 6.599
177 H ARG 25 HN ARG 25 -4.828 -3.839 6.005
178 HA ARG 25 HA ARG 25 -2.385 -2.563 6.840
179 1HB ARG 25 HB2 ARG 25 -1.584 -4.903 7.338
180 2HB ARG 25 HB3 ARG 25 -2.896 -4.236 8.334
181 1HG ARG 25 HG2 ARG 25 -3.689 -5.945 5.944
182 2HG ARG 25 HG3 ARG 25 -2.983 -6.733 7.395
183 1HD ARG 25 HD2 ARG 25 -4.673 -5.872 8.876
184 2HD ARG 25 HD3 ARG 25 -5.315 -4.744 7.605
185 HE ARG 25 HE ARG 25 -5.723 -6.975 6.251
186 1HH1 ARG 25 HH22 ARG 25 -6.343 -6.439 9.741
187 2HH1 ARG 25 HH21 ARG 25 -7.761 -7.435 9.773
188 1HH2 ARG 25 HH12 ARG 25 -7.583 -8.374 6.351
189 2HH2 ARG 25 HH11 ARG 25 -8.471 -8.544 7.829
190 H GLY 26 HN GLY 26 -0.672 -2.403 5.690
191 1HA GLY 26 HA1 GLY 26 0.378 -3.496 3.491
192 2HA GLY 26 HA2 GLY 26 -1.014 -2.513 2.868
193 H LYS 27 HN LYS 27 2.094 -2.243 2.910
194 HA LYS 27 HA LYS 27 2.296 0.484 3.979
195 1HB LYS 27 HB2 LYS 27 4.372 -1.771 4.416
196 2HB LYS 27 HB3 LYS 27 4.506 -0.055 4.944
197 1HG LYS 27 HG2 LYS 27 2.449 -0.433 6.390
198 2HG LYS 27 HG3 LYS 27 2.549 -2.184 5.959
199 1HD LYS 27 HD2 LYS 27 4.809 -2.330 6.968
200 2HD LYS 27 HD3 LYS 27 4.791 -0.561 7.308
201 1HE LYS 27 HE2 LYS 27 2.829 -0.844 8.837
202 2HE LYS 27 HE3 LYS 27 2.825 -2.627 8.519
203 1HZ LYS 27 HZ1 LYS 27 5.052 -2.725 9.435
204 2HZ LYS 27 HZ2 LYS 27 5.031 -1.055 9.746
205 3HZ LYS 27 HZ3 LYS 27 3.943 -2.081 10.550
206 H CYS 28 HN CYS 28 5.289 -0.059 3.175
207 HA CYS 28 HA CYS 28 5.148 -0.522 0.350
208 1HB CYS 28 HB2 CYS 28 6.046 1.804 -0.277
209 2HB CYS 28 HB3 CYS 28 4.360 1.709 0.246
210 H MET 29 HN MET 29 7.415 0.086 -0.603
211 HA MET 29 HA MET 29 9.469 -1.037 1.107
212 1HB MET 29 HB2 MET 29 8.745 -1.896 -1.223
213 2HB MET 29 HB3 MET 29 9.607 -0.498 -1.905
214 1HG MET 29 HG2 MET 29 11.666 -1.370 -0.508
215 2HG MET 29 HG3 MET 29 10.667 -2.813 -0.157
216 1HE MET 29 HE2 MET 29 9.687 -4.427 -2.012
217 2HE MET 29 HE3 MET 29 9.064 -3.120 -3.080
218 3HE MET 29 HE1 MET 29 10.126 -4.397 -3.754
219 H ASN 30 HN ASN 30 11.102 0.631 -1.154
220 HA ASN 30 HA ASN 30 11.544 2.965 0.477
221 1HB ASN 30 HB2 ASN 30 13.420 3.466 -1.158
222 2HB ASN 30 HB3 ASN 30 13.532 1.965 -0.202
223 1HD2 ASN 30 HD22 ASN 30 13.420 1.748 -4.307
224 2HD2 ASN 30 HD21 ASN 30 13.271 3.262 -3.478
225 H LYS 31 HN LYS 31 10.022 2.300 -2.656
226 HA LYS 31 HA LYS 31 9.336 5.141 -2.969
227 1HB LYS 31 HB2 LYS 31 10.917 3.359 -4.870
228 2HB LYS 31 HB3 LYS 31 10.053 4.777 -5.509
229 1HG LYS 31 HG2 LYS 31 12.196 4.870 -3.361
230 2HG LYS 31 HG3 LYS 31 12.444 5.235 -5.105
231 1HD LYS 31 HD2 LYS 31 10.557 6.835 -3.249
232 2HD LYS 31 HD3 LYS 31 12.292 7.195 -3.495
233 1HE LYS 31 HE2 LYS 31 11.106 8.711 -4.925
234 2HE LYS 31 HE3 LYS 31 11.874 7.475 -5.999
235 1HZ LYS 31 HZ1 LYS 31 9.029 7.537 -5.119
236 2HZ LYS 31 HZ2 LYS 31 9.632 7.982 -6.643
237 3HZ LYS 31 HZ3 LYS 31 9.739 6.368 -6.126
238 H LYS 32 HN LYS 32 7.899 1.962 -2.979
239 HA LYS 32 HA LYS 32 5.773 3.138 -4.581
240 1HB LYS 32 HB2 LYS 32 5.503 1.467 -6.104
241 2HB LYS 32 HB3 LYS 32 7.217 1.945 -6.230
242 1HG LYS 32 HG2 LYS 32 7.880 -0.078 -4.841
243 2HG LYS 32 HG3 LYS 32 6.154 -0.587 -4.830
244 1HD LYS 32 HD2 LYS 32 6.266 -0.357 -7.418
245 2HD LYS 32 HD3 LYS 32 8.054 -0.315 -7.210
246 1HE LYS 32 HE2 LYS 32 7.258 -2.640 -7.770
247 2HE LYS 32 HE3 LYS 32 7.909 -2.626 -6.085
248 1HZ LYS 32 HZ1 LYS 32 5.042 -2.343 -6.830
249 2HZ LYS 32 HZ2 LYS 32 5.781 -3.781 -6.304
250 3HZ LYS 32 HZ3 LYS 32 5.677 -2.441 -5.264
251 1HN ABA 33 HN ABA 33 3.696 2.141 -4.311
252 HA ABA 33 HA ABA 33 3.247 1.350 -1.631
253 1HB ABA 33 HB3 ABA 33 1.381 1.691 -4.016
254 2HB ABA 33 HB2 ABA 33 1.874 2.936 -2.813
255 1HG ABA 33 HG1 ABA 33 0.179 0.446 -2.164
256 2HG ABA 33 HG2 ABA 33 0.896 1.572 -0.979
257 3HG ABA 33 HG3 ABA 33 -0.314 2.179 -2.181
258 H ARG 34 HN ARG 34 2.587 -0.623 -0.855
259 HA ARG 34 HA ARG 34 2.238 -2.943 -2.616
260 1HB ARG 34 HB2 ARG 34 4.046 -2.636 -0.141
261 2HB ARG 34 HB3 ARG 34 3.415 -4.245 -0.617
262 1HG ARG 34 HG2 ARG 34 5.102 -2.456 -2.462
263 2HG ARG 34 HG3 ARG 34 5.775 -3.722 -1.391
264 1HD ARG 34 HD2 ARG 34 3.695 -4.261 -3.628
265 2HD ARG 34 HD3 ARG 34 5.467 -4.498 -3.799
266 HE ARG 34 HE ARG 34 3.594 -6.000 -1.929
267 1HH1 ARG 34 HH12 ARG 34 6.801 -5.856 -3.547
268 2HH1 ARG 34 HH11 ARG 34 7.283 -7.413 -2.962
269 1HH2 ARG 34 HH22 ARG 34 4.295 -8.063 -1.166
270 2HH2 ARG 34 HH21 ARG 34 5.855 -8.673 -1.604
271 H CYS 35 HN CYS 35 1.233 -4.727 -1.002
272 HA CYS 35 HA CYS 35 -0.225 -3.598 1.110
273 1HB CYS 35 HB2 CYS 35 -1.760 -3.230 -0.976
274 2HB CYS 35 HB3 CYS 35 -2.084 -4.974 -0.908
275 H TYR 36 HN TYR 36 -0.738 -5.110 2.576
276 HA TYR 36 HA TYR 36 0.702 -7.677 2.331
277 1HB TYR 36 HB2 TYR 36 0.922 -5.299 4.263
278 2HB TYR 36 HB3 TYR 36 1.561 -6.904 4.767
279 HD1 TYR 36 HD1 TYR 36 2.923 -7.834 2.245
280 HD2 TYR 36 HD2 TYR 36 2.722 -3.943 4.059
281 HE1 TYR 36 HE1 TYR 36 5.029 -7.205 1.135
282 HE2 TYR 36 HE2 TYR 36 4.822 -3.307 2.944
283 HH TYR 36 HH TYR 36 6.551 -5.582 0.763
284 H SER 37 HN SER 37 -1.670 -8.161 1.932
285 HA SER 37 HA SER 37 -3.582 -7.747 3.958
286 1HB SER 37 HB2 SER 37 -3.613 -9.697 1.582
287 2HB SER 37 HB3 SER 37 -5.041 -9.190 2.565
288 HG SER 37 HG SER 37 -4.601 -7.056 1.887
No H/Q in entry = 288
Start of MODEL 13
1 HA PCA 1 HA PGL 1 -4.185 -7.936 -4.304
2 1HB PCA 1 HB2 PGL 1 -1.674 -9.701 -4.527
3 2HB PCA 1 HB3 PGL 1 -3.136 -9.941 -3.497
4 1HG PCA 1 HG2 PGL 1 -2.632 -11.263 -5.935
5 2HG PCA 1 HG3 PGL 1 -4.321 -10.923 -5.340
6 HN PCA 1 HN PGL 1 -3.639 -7.344 -6.734
7 H PHE 2 HN PHE 2 -2.210 -6.369 -6.364
8 HA PHE 2 HA PHE 2 -0.230 -5.380 -4.417
9 1HB PHE 2 HB2 PHE 2 0.136 -5.914 -7.456
10 2HB PHE 2 HB3 PHE 2 1.402 -5.349 -6.299
11 HD1 PHE 2 HD1 PHE 2 1.670 -6.959 -4.146
12 HD2 PHE 2 HD2 PHE 2 0.073 -8.166 -7.954
13 HE1 PHE 2 HE1 PHE 2 2.165 -9.321 -3.610
14 HE2 PHE 2 HE2 PHE 2 0.579 -10.524 -7.418
15 HZ PHE 2 HZ PHE 2 1.623 -11.108 -5.244
16 H THR 3 HN THR 3 0.564 -3.211 -4.907
17 HA THR 3 HA THR 3 -1.067 -1.577 -6.721
18 HB THR 3 HB THR 3 -0.557 0.349 -5.077
19 HG1 THR 3 HG1 THR 3 0.206 -0.109 -3.247
20 1HG2 THR 3 HG23 THR 3 -2.519 -1.899 -4.292
21 2HG2 THR 3 HG21 THR 3 -2.530 -0.229 -3.635
22 3HG2 THR 3 HG22 THR 3 -2.820 -0.489 -5.394
23 H ASN 4 HN ASN 4 0.237 0.260 -7.554
24 HA ASN 4 HA ASN 4 3.117 -0.039 -7.458
25 1HB ASN 4 HB2 ASN 4 3.230 -0.077 -10.010
26 2HB ASN 4 HB3 ASN 4 2.700 -1.602 -9.258
27 1HD2 ASN 4 HD22 ASN 4 -0.583 -1.637 -10.668
28 2HD2 ASN 4 HD21 ASN 4 0.439 -2.259 -9.416
29 H VAL 5 HN VAL 5 1.739 1.812 -6.157
30 HA VAL 5 HA VAL 5 1.828 4.281 -7.735
31 HB VAL 5 HB VAL 5 1.239 4.199 -4.749
32 1HG1 VAL 5 HG13 VAL 5 0.128 5.807 -7.156
33 2HG1 VAL 5 HG11 VAL 5 -0.350 6.013 -5.429
34 3HG1 VAL 5 HG12 VAL 5 1.316 6.420 -5.940
35 1HG2 VAL 5 HG21 VAL 5 -0.645 3.185 -6.962
36 2HG2 VAL 5 HG22 VAL 5 -0.072 2.335 -5.464
37 3HG2 VAL 5 HG23 VAL 5 -1.171 3.754 -5.341
38 H SER 6 HN SER 6 2.928 6.087 -5.953
39 HA SER 6 HA SER 6 5.596 5.035 -5.240
40 1HB SER 6 HB2 SER 6 6.387 7.454 -5.416
41 2HB SER 6 HB3 SER 6 6.035 6.575 -6.931
42 HG SER 6 HG SER 6 3.996 7.599 -6.962
43 H CYS 7 HN CYS 7 6.181 5.133 -3.192
44 HA CYS 7 HA CYS 7 4.241 6.319 -1.271
45 1HB CYS 7 HB2 CYS 7 4.702 4.812 0.344
46 2HB CYS 7 HB3 CYS 7 4.651 3.885 -1.143
47 H THR 8 HN THR 8 5.121 7.185 0.776
48 HA THR 8 HA THR 8 7.871 8.169 0.728
49 HB THR 8 HB THR 8 7.116 10.255 1.975
50 HG1 THR 8 HG1 THR 8 4.653 9.582 0.725
51 1HG2 THR 8 HG23 THR 8 7.987 10.254 -0.368
52 2HG2 THR 8 HG21 THR 8 6.315 10.002 -0.997
53 3HG2 THR 8 HG22 THR 8 6.731 11.516 -0.113
54 H THR 9 HN THR 9 4.832 7.620 2.589
55 HA THR 9 HA THR 9 6.398 6.595 4.868
56 HB THR 9 HB THR 9 4.522 7.474 6.326
57 HG1 THR 9 HG1 THR 9 3.334 9.171 5.453
58 1HG2 THR 9 HG22 THR 9 6.758 8.582 6.105
59 2HG2 THR 9 HG23 THR 9 6.125 9.587 4.746
60 3HG2 THR 9 HG21 THR 9 5.422 9.756 6.397
61 H SER 10 HN SER 10 5.367 4.983 6.121
62 HA SER 10 HA SER 10 3.264 3.396 4.870
63 1HB SER 10 HB2 SER 10 3.732 1.740 6.724
64 2HB SER 10 HB3 SER 10 5.067 2.020 5.559
65 HG SER 10 HG SER 10 6.003 3.431 7.044
66 H LYS 11 HN LYS 11 1.684 4.977 5.046
67 HA LYS 11 HA LYS 11 -0.042 4.723 7.172
68 1HB LYS 11 HB2 LYS 11 1.532 6.533 8.260
69 2HB LYS 11 HB3 LYS 11 0.902 7.653 7.022
70 1HG LYS 11 HG2 LYS 11 -1.494 6.776 7.924
71 2HG LYS 11 HG3 LYS 11 -0.539 6.237 9.337
72 1HD LYS 11 HD2 LYS 11 -0.745 9.107 8.206
73 2HD LYS 11 HD3 LYS 11 -1.654 8.454 9.614
74 1HE LYS 11 HE2 LYS 11 0.523 8.114 10.858
75 2HE LYS 11 HE3 LYS 11 1.416 8.850 9.461
76 1HZ LYS 11 HZ2 LYS 11 0.090 10.844 9.763
77 2HZ LYS 11 HZ3 LYS 11 -0.699 10.150 11.095
78 3HZ LYS 11 HZ1 LYS 11 0.970 10.455 11.163
79 H GLU 12 HN GLU 12 1.213 6.634 4.411
80 HA GLU 12 HA GLU 12 -0.932 7.672 3.240
81 1HB GLU 12 HB2 GLU 12 1.661 7.745 2.922
82 2HB GLU 12 HB3 GLU 12 1.481 6.409 1.782
83 1HG GLU 12 HG2 GLU 12 -0.181 7.901 0.451
84 2HG GLU 12 HG3 GLU 12 0.191 9.210 1.641
85 1HN ABA 13 HN ABA 13 0.047 4.342 3.200
86 HA ABA 13 HA ABA 13 -1.072 3.637 0.647
87 1HB ABA 13 HB3 ABA 13 0.120 1.562 0.943
88 2HB ABA 13 HB2 ABA 13 0.326 1.843 2.713
89 1HG ABA 13 HG1 ABA 13 1.629 3.588 0.518
90 2HG ABA 13 HG2 ABA 13 1.875 3.722 2.311
91 3HG ABA 13 HG3 ABA 13 2.384 2.234 1.434
92 H TRP 14 HN TRP 14 -2.502 3.897 3.606
93 HA TRP 14 HA TRP 14 -4.039 1.479 3.806
94 1HB TRP 14 HB2 TRP 14 -3.629 4.082 5.316
95 2HB TRP 14 HB3 TRP 14 -5.172 3.222 5.625
96 HD1 TRP 14 HD1 TRP 14 -5.258 1.286 7.122
97 HE1 TRP 14 HE1 TRP 14 -3.613 -0.278 8.239
98 HE3 TRP 14 HE3 TRP 14 -0.951 3.042 5.045
99 HZ2 TRP 14 HZ2 TRP 14 -0.767 -0.516 8.549
100 HZ3 TRP 14 HZ3 TRP 14 1.189 2.026 5.702
101 HH2 TRP 14 HH2 TRP 14 1.298 0.317 7.473
102 H SER 15 HN SER 15 -4.532 4.701 2.320
103 HA SER 15 HA SER 15 -7.344 4.189 1.840
104 1HB SER 15 HB2 SER 15 -7.291 6.492 0.799
105 2HB SER 15 HB3 SER 15 -6.838 6.432 2.532
106 HG SER 15 HG SER 15 -5.471 7.733 1.309
107 H VAL 16 HN VAL 16 -4.354 3.266 0.447
108 HA VAL 16 HA VAL 16 -5.329 3.310 -2.297
109 HB VAL 16 HB VAL 16 -2.617 2.361 -1.241
110 1HG1 VAL 16 HG11 VAL 16 -3.294 1.642 -3.607
111 2HG1 VAL 16 HG12 VAL 16 -3.561 3.370 -4.021
112 3HG1 VAL 16 HG13 VAL 16 -1.914 2.785 -3.574
113 1HG2 VAL 16 HG22 VAL 16 -3.528 5.171 -2.148
114 2HG2 VAL 16 HG23 VAL 16 -2.929 4.706 -0.509
115 3HG2 VAL 16 HG21 VAL 16 -1.818 4.652 -1.916
116 H CYS 17 HN CYS 17 -4.726 1.036 0.462
117 HA CYS 17 HA CYS 17 -5.209 -1.316 -1.160
118 1HB CYS 17 HB2 CYS 17 -4.619 -0.653 1.777
119 2HB CYS 17 HB3 CYS 17 -5.192 -2.293 1.374
120 H GLN 18 HN GLN 18 -7.162 1.047 0.546
121 HA GLN 18 HA GLN 18 -9.332 -0.700 1.176
122 1HB GLN 18 HB2 GLN 18 -8.386 1.119 2.612
123 2HB GLN 18 HB3 GLN 18 -8.988 2.345 1.447
124 1HG GLN 18 HG2 GLN 18 -11.346 1.428 1.883
125 2HG GLN 18 HG3 GLN 18 -10.606 0.276 3.074
126 1HE2 GLN 18 HE22 GLN 18 -9.575 3.040 5.346
127 2HE2 GLN 18 HE21 GLN 18 -8.912 1.612 4.626
128 H ARG 19 HN ARG 19 -8.433 1.771 -1.255
129 HA ARG 19 HA ARG 19 -11.065 1.926 -2.394
130 1HB ARG 19 HB2 ARG 19 -10.530 3.832 -3.307
131 2HB ARG 19 HB3 ARG 19 -9.255 3.779 -2.070
132 1HG ARG 19 HG2 ARG 19 -8.165 4.606 -3.901
133 2HG ARG 19 HG3 ARG 19 -7.636 2.898 -3.863
134 1HD ARG 19 HD2 ARG 19 -8.107 3.801 -6.213
135 2HD ARG 19 HD3 ARG 19 -9.132 2.390 -5.786
136 HE ARG 19 HE ARG 19 -11.064 3.720 -5.628
137 1HH1 ARG 19 HH12 ARG 19 -8.260 5.802 -6.405
138 2HH1 ARG 19 HH11 ARG 19 -9.241 7.139 -6.908
139 1HH2 ARG 19 HH22 ARG 19 -12.342 5.520 -6.307
140 2HH2 ARG 19 HH21 ARG 19 -11.583 6.977 -6.851
141 H LEU 20 HN LEU 20 -8.167 0.026 -2.991
142 HA LEU 20 HA LEU 20 -8.959 -0.770 -5.650
143 1HB LEU 20 HB2 LEU 20 -6.617 -0.213 -5.208
144 2HB LEU 20 HB3 LEU 20 -6.551 -1.402 -3.874
145 HG LEU 20 HG LEU 20 -6.856 -3.253 -5.433
146 1HD1 LEU 20 HD12 LEU 20 -8.222 -2.213 -7.258
147 2HD1 LEU 20 HD13 LEU 20 -6.828 -1.165 -7.722
148 3HD1 LEU 20 HD11 LEU 20 -6.730 -2.954 -7.931
149 1HD2 LEU 20 HD21 LEU 20 -4.574 -2.512 -4.907
150 2HD2 LEU 20 HD22 LEU 20 -4.668 -3.185 -6.576
151 3HD2 LEU 20 HD23 LEU 20 -4.579 -1.402 -6.334
152 H HIS 21 HN HIS 21 -8.589 -2.189 -2.306
153 HA HIS 21 HA HIS 21 -10.124 -4.549 -3.172
154 1HB HIS 21 HB2 HIS 21 -7.777 -4.362 -1.197
155 2HB HIS 21 HB3 HIS 21 -8.774 -5.835 -1.502
156 HD1 HIS 21 HD1 HIS 21 -8.488 -6.832 -4.046
157 HD2 HIS 21 HD2 HIS 21 -5.644 -3.972 -2.878
158 HE1 HIS 21 HE1 HIS 21 -6.468 -7.034 -5.599
159 H ASN 22 HN ASN 22 -9.251 -4.444 0.047
160 HA ASN 22 HA ASN 22 -11.033 -2.735 1.258
161 1HB ASN 22 HB2 ASN 22 -12.807 -4.277 2.164
162 2HB ASN 22 HB3 ASN 22 -12.983 -3.936 0.428
163 1HD2 ASN 22 HD22 ASN 22 -12.398 -7.322 -0.682
164 2HD2 ASN 22 HD21 ASN 22 -12.238 -5.661 -1.148
165 H THR 23 HN THR 23 -8.653 -2.775 1.896
166 HA THR 23 HA THR 23 -8.325 -4.418 4.258
167 HB THR 23 HB THR 23 -7.302 -6.032 3.091
168 HG1 THR 23 HG1 THR 23 -5.176 -4.199 3.336
169 1HG2 THR 23 HG22 THR 23 -6.199 -4.032 1.040
170 2HG2 THR 23 HG23 THR 23 -5.839 -5.799 1.120
171 3HG2 THR 23 HG21 THR 23 -7.522 -5.243 0.814
172 H SER 24 HN SER 24 -6.593 -3.708 5.582
173 HA SER 24 HA SER 24 -5.735 -0.953 5.354
174 1HB SER 24 HB2 SER 24 -6.544 -0.488 7.728
175 2HB SER 24 HB3 SER 24 -7.831 -0.573 6.488
176 HG SER 24 HG SER 24 -8.363 -1.690 8.355
177 H ARG 25 HN ARG 25 -4.554 -3.608 4.937
178 HA ARG 25 HA ARG 25 -2.388 -3.350 6.826
179 1HB ARG 25 HB2 ARG 25 -1.956 -5.845 6.722
180 2HB ARG 25 HB3 ARG 25 -3.230 -5.289 7.838
181 1HG ARG 25 HG2 ARG 25 -3.972 -6.320 5.063
182 2HG ARG 25 HG3 ARG 25 -3.633 -7.433 6.416
183 1HD ARG 25 HD2 ARG 25 -5.444 -6.742 7.736
184 2HD ARG 25 HD3 ARG 25 -5.618 -5.164 6.869
185 HE ARG 25 HE ARG 25 -6.181 -6.793 4.796
186 1HH1 ARG 25 HH12 ARG 25 -7.444 -6.808 8.152
187 2HH1 ARG 25 HH11 ARG 25 -9.013 -7.376 7.685
188 1HH2 ARG 25 HH22 ARG 25 -8.252 -7.636 4.225
189 2HH2 ARG 25 HH21 ARG 25 -9.479 -7.852 5.431
190 H GLY 26 HN GLY 26 -0.898 -2.543 5.501
191 1HA GLY 26 HA1 GLY 26 0.028 -3.529 3.131
192 2HA GLY 26 HA2 GLY 26 -1.322 -2.367 2.746
193 H LYS 27 HN LYS 27 1.896 -2.428 2.832
194 HA LYS 27 HA LYS 27 2.335 0.093 4.278
195 1HB LYS 27 HB2 LYS 27 4.199 -2.371 4.197
196 2HB LYS 27 HB3 LYS 27 4.518 -0.809 5.038
197 1HG LYS 27 HG2 LYS 27 2.635 -1.263 6.592
198 2HG LYS 27 HG3 LYS 27 2.287 -2.811 5.741
199 1HD LYS 27 HD2 LYS 27 4.574 -3.641 6.274
200 2HD LYS 27 HD3 LYS 27 4.918 -2.118 7.174
201 1HE LYS 27 HE2 LYS 27 3.063 -2.648 8.794
202 2HE LYS 27 HE3 LYS 27 2.688 -4.161 7.869
203 1HZ LYS 27 HZ1 LYS 27 4.904 -4.941 8.349
204 2HZ LYS 27 HZ2 LYS 27 5.262 -3.526 9.217
205 3HZ LYS 27 HZ3 LYS 27 4.057 -4.584 9.778
206 H CYS 28 HN CYS 28 5.239 -0.364 3.301
207 HA CYS 28 HA CYS 28 5.025 -0.329 0.455
208 1HB CYS 28 HB2 CYS 28 4.916 2.024 0.085
209 2HB CYS 28 HB3 CYS 28 4.370 2.092 1.743
210 H MET 29 HN MET 29 7.306 0.486 -0.403
211 HA MET 29 HA MET 29 9.265 -1.124 1.078
212 1HB MET 29 HB2 MET 29 8.295 -1.851 -1.232
213 2HB MET 29 HB3 MET 29 9.311 -0.566 -1.931
214 1HG MET 29 HG2 MET 29 11.305 -1.715 -0.700
215 2HG MET 29 HG3 MET 29 10.140 -2.975 -0.184
216 1HE MET 29 HE2 MET 29 11.868 -4.670 -1.107
217 2HE MET 29 HE3 MET 29 12.506 -4.708 -2.786
218 3HE MET 29 HE1 MET 29 12.929 -3.344 -1.696
219 H ASN 30 HN ASN 30 11.071 0.250 -1.155
220 HA ASN 30 HA ASN 30 11.848 2.525 0.421
221 1HB ASN 30 HB2 ASN 30 13.749 2.688 -1.322
222 2HB ASN 30 HB3 ASN 30 13.685 1.288 -0.224
223 1HD2 ASN 30 HD22 ASN 30 13.701 -1.111 -2.777
224 2HD2 ASN 30 HD21 ASN 30 13.976 -0.683 -1.119
225 H LYS 31 HN LYS 31 10.209 2.040 -2.683
226 HA LYS 31 HA LYS 31 9.964 4.969 -3.031
227 1HB LYS 31 HB2 LYS 31 10.763 2.840 -5.092
228 2HB LYS 31 HB3 LYS 31 10.269 4.508 -5.533
229 1HG LYS 31 HG2 LYS 31 12.134 5.503 -4.361
230 2HG LYS 31 HG3 LYS 31 12.656 3.905 -3.737
231 1HD LYS 31 HD2 LYS 31 14.121 4.438 -5.499
232 2HD LYS 31 HD3 LYS 31 13.080 3.104 -6.087
233 1HE LYS 31 HE2 LYS 31 12.605 6.098 -6.778
234 2HE LYS 31 HE3 LYS 31 13.650 4.998 -7.762
235 1HZ LYS 31 HZ3 LYS 31 11.762 3.582 -8.130
236 2HZ LYS 31 HZ1 LYS 31 10.764 4.601 -7.209
237 3HZ LYS 31 HZ2 LYS 31 11.455 5.168 -8.653
238 H LYS 32 HN LYS 32 8.062 2.035 -2.697
239 HA LYS 32 HA LYS 32 6.012 3.135 -4.457
240 1HB LYS 32 HB2 LYS 32 5.702 1.251 -5.762
241 2HB LYS 32 HB3 LYS 32 7.400 1.763 -5.939
242 1HG LYS 32 HG2 LYS 32 8.011 -0.033 -4.151
243 2HG LYS 32 HG3 LYS 32 6.348 -0.690 -4.410
244 1HD LYS 32 HD2 LYS 32 6.837 -0.890 -6.856
245 2HD LYS 32 HD3 LYS 32 8.482 -0.222 -6.566
246 1HE LYS 32 HE2 LYS 32 9.013 -2.185 -5.055
247 2HE LYS 32 HE3 LYS 32 7.379 -2.884 -5.401
248 1HZ LYS 32 HZ2 LYS 32 7.990 -2.963 -7.735
249 2HZ LYS 32 HZ3 LYS 32 9.529 -2.334 -7.380
250 3HZ LYS 32 HZ1 LYS 32 9.070 -3.851 -6.769
251 1HN ABA 33 HN ABA 33 3.929 2.108 -4.167
252 HA ABA 33 HA ABA 33 3.429 1.535 -1.377
253 1HB ABA 33 HB3 ABA 33 1.686 2.199 -3.816
254 2HB ABA 33 HB2 ABA 33 2.266 3.332 -2.539
255 1HG ABA 33 HG1 ABA 33 0.016 2.879 -1.969
256 2HG ABA 33 HG2 ABA 33 0.213 1.087 -2.137
257 3HG ABA 33 HG3 ABA 33 1.088 1.967 -0.832
258 H ARG 34 HN ARG 34 2.437 -0.398 -0.690
259 HA ARG 34 HA ARG 34 2.075 -2.547 -2.639
260 1HB ARG 34 HB2 ARG 34 4.454 -2.428 -1.201
261 2HB ARG 34 HB3 ARG 34 3.462 -3.437 -0.118
262 1HG ARG 34 HG2 ARG 34 2.844 -4.771 -2.334
263 2HG ARG 34 HG3 ARG 34 4.223 -3.884 -3.066
264 1HD ARG 34 HD2 ARG 34 4.299 -5.802 -0.631
265 2HD ARG 34 HD3 ARG 34 4.930 -6.128 -2.308
266 HE ARG 34 HE ARG 34 6.108 -3.712 -1.083
267 1HH1 ARG 34 HH22 ARG 34 6.311 -7.268 -1.239
268 2HH1 ARG 34 HH21 ARG 34 7.912 -7.353 -0.581
269 1HH2 ARG 34 HH12 ARG 34 8.259 -3.833 -0.172
270 2HH2 ARG 34 HH11 ARG 34 9.034 -5.368 0.033
271 H CYS 35 HN CYS 35 1.250 -4.542 -1.094
272 HA CYS 35 HA CYS 35 -0.626 -3.613 0.856
273 1HB CYS 35 HB2 CYS 35 -1.659 -3.547 -1.644
274 2HB CYS 35 HB3 CYS 35 -1.858 -5.296 -1.382
275 H TYR 36 HN TYR 36 -1.409 -5.447 2.062
276 HA TYR 36 HA TYR 36 0.340 -7.812 1.946
277 1HB TYR 36 HB2 TYR 36 0.342 -5.529 3.965
278 2HB TYR 36 HB3 TYR 36 0.711 -7.189 4.586
279 HD1 TYR 36 HD2 TYR 36 2.380 -8.532 2.914
280 HD2 TYR 36 HD1 TYR 36 2.247 -4.289 3.517
281 HE1 TYR 36 HE2 TYR 36 4.797 -8.382 2.382
282 HE2 TYR 36 HE1 TYR 36 4.655 -4.119 2.937
283 HH TYR 36 HH TYR 36 6.532 -5.241 2.481
284 H SER 37 HN SER 37 -2.026 -8.112 1.144
285 HA SER 37 HA SER 37 -3.651 -9.478 1.273
286 1HB SER 37 HB2 SER 37 -2.425 -10.543 3.874
287 2HB SER 37 HB3 SER 37 -3.700 -11.365 2.895
288 HG SER 37 HG SER 37 -1.607 -12.090 2.451
No H/Q in entry = 288
Start of MODEL 14
1 HA PCA 1 HA PGL 1 4.374 -4.509 -5.268
2 1HB PCA 1 HB2 PGL 1 4.501 -5.633 -8.020
3 2HB PCA 1 HB3 PGL 1 5.465 -4.317 -7.269
4 1HG PCA 1 HG2 PGL 1 6.242 -7.139 -7.751
5 2HG PCA 1 HG3 PGL 1 7.276 -5.755 -7.176
6 HN PCA 1 HN PGL 1 4.811 -6.613 -4.073
7 H PHE 2 HN PHE 2 2.260 -4.412 -4.678
8 HA PHE 2 HA PHE 2 0.332 -6.337 -5.769
9 1HB PHE 2 HB2 PHE 2 0.386 -4.873 -3.073
10 2HB PHE 2 HB3 PHE 2 -1.078 -5.719 -3.700
11 HD1 PHE 2 HD2 PHE 2 2.420 -6.224 -2.491
12 HD2 PHE 2 HD1 PHE 2 -1.241 -8.092 -3.746
13 HE1 PHE 2 HE2 PHE 2 3.217 -8.386 -1.597
14 HE2 PHE 2 HE1 PHE 2 -0.445 -10.254 -2.847
15 HZ PHE 2 HZ PHE 2 1.785 -10.406 -1.770
16 H THR 3 HN THR 3 1.315 -3.127 -5.276
17 HA THR 3 HA THR 3 -0.769 -2.142 -7.101
18 HB THR 3 HB THR 3 -1.353 -0.244 -6.017
19 HG1 THR 3 HG1 THR 3 0.505 -0.321 -3.962
20 1HG2 THR 3 HG21 THR 3 -2.152 -2.275 -4.664
21 2HG2 THR 3 HG22 THR 3 -0.730 -2.060 -3.576
22 3HG2 THR 3 HG23 THR 3 -1.979 -0.776 -3.671
23 H ASN 4 HN ASN 4 0.207 0.277 -7.838
24 HA ASN 4 HA ASN 4 3.077 0.220 -8.081
25 1HB ASN 4 HB2 ASN 4 2.962 0.534 -10.602
26 2HB ASN 4 HB3 ASN 4 2.595 -1.119 -10.043
27 1HD2 ASN 4 HD22 ASN 4 -0.140 0.919 -12.298
28 2HD2 ASN 4 HD21 ASN 4 1.424 1.560 -11.917
29 H VAL 5 HN VAL 5 1.604 1.754 -6.425
30 HA VAL 5 HA VAL 5 1.474 4.415 -7.681
31 HB VAL 5 HB VAL 5 0.722 3.841 -4.787
32 1HG1 VAL 5 HG12 VAL 5 -0.250 5.823 -6.966
33 2HG1 VAL 5 HG13 VAL 5 -0.925 5.681 -5.300
34 3HG1 VAL 5 HG11 VAL 5 0.760 6.241 -5.530
35 1HG2 VAL 5 HG21 VAL 5 -0.943 3.224 -7.303
36 2HG2 VAL 5 HG22 VAL 5 -0.461 2.103 -5.965
37 3HG2 VAL 5 HG23 VAL 5 -1.622 3.433 -5.649
38 H SER 6 HN SER 6 2.328 6.000 -5.578
39 HA SER 6 HA SER 6 5.085 5.127 -4.984
40 1HB SER 6 HB2 SER 6 5.658 7.603 -4.853
41 2HB SER 6 HB3 SER 6 5.338 6.916 -6.472
42 HG SER 6 HG SER 6 4.324 8.904 -6.145
43 H CYS 7 HN CYS 7 5.697 5.033 -2.974
44 HA CYS 7 HA CYS 7 4.061 6.343 -0.836
45 1HB CYS 7 HB2 CYS 7 3.106 4.283 -0.801
46 2HB CYS 7 HB3 CYS 7 4.598 3.396 -0.987
47 H THR 8 HN THR 8 5.162 6.875 0.992
48 HA THR 8 HA THR 8 8.098 6.728 1.012
49 HB THR 8 HB THR 8 8.070 9.008 2.143
50 HG1 THR 8 HG1 THR 8 6.317 10.307 1.570
51 1HG2 THR 8 HG23 THR 8 8.850 8.592 -0.207
52 2HG2 THR 8 HG21 THR 8 7.174 8.866 -0.815
53 3HG2 THR 8 HG22 THR 8 8.074 10.206 -0.016
54 H THR 9 HN THR 9 5.085 7.307 2.937
55 HA THR 9 HA THR 9 6.332 6.008 5.279
56 HB THR 9 HB THR 9 4.666 7.384 6.632
57 HG1 THR 9 HG1 THR 9 4.007 9.285 5.620
58 1HG2 THR 9 HG22 THR 9 7.111 7.863 6.483
59 2HG2 THR 9 HG23 THR 9 6.826 8.895 5.028
60 3HG2 THR 9 HG21 THR 9 6.122 9.365 6.621
61 H SER 10 HN SER 10 5.152 4.532 6.435
62 HA SER 10 HA SER 10 3.016 3.153 5.045
63 1HB SER 10 HB2 SER 10 3.445 1.353 6.784
64 2HB SER 10 HB3 SER 10 4.834 1.765 5.726
65 HG SER 10 HG SER 10 4.431 2.745 8.346
66 H LYS 11 HN LYS 11 1.588 4.977 5.376
67 HA LYS 11 HA LYS 11 -0.309 4.705 7.389
68 1HB LYS 11 HB2 LYS 11 1.796 6.835 7.821
69 2HB LYS 11 HB3 LYS 11 0.119 7.427 8.003
70 1HG LYS 11 HG2 LYS 11 1.016 4.965 9.575
71 2HG LYS 11 HG3 LYS 11 1.428 6.632 10.077
72 1HD LYS 11 HD2 LYS 11 -0.521 6.000 11.293
73 2HD LYS 11 HD3 LYS 11 -0.970 7.273 10.114
74 1HE LYS 11 HE2 LYS 11 -2.749 5.553 10.284
75 2HE LYS 11 HE3 LYS 11 -2.024 5.494 8.632
76 1HZ LYS 11 HZ1 LYS 11 -0.671 3.632 9.372
77 2HZ LYS 11 HZ2 LYS 11 -1.392 3.691 10.910
78 3HZ LYS 11 HZ3 LYS 11 -2.333 3.319 9.546
79 H GLU 12 HN GLU 12 1.361 6.762 4.943
80 HA GLU 12 HA GLU 12 -0.712 8.294 4.118
81 1HB GLU 12 HB2 GLU 12 1.912 8.259 3.888
82 2HB GLU 12 HB3 GLU 12 1.641 7.547 2.293
83 1HG GLU 12 HG2 GLU 12 0.457 10.210 3.367
84 2HG GLU 12 HG3 GLU 12 1.964 10.076 2.393
85 1HN ABA 13 HN ABA 13 0.347 5.141 2.765
86 HA ABA 13 HA ABA 13 -1.497 5.323 0.485
87 1HB ABA 13 HB3 ABA 13 0.903 4.945 0.082
88 2HB ABA 13 HB2 ABA 13 -0.133 3.644 -0.534
89 1HG ABA 13 HG1 ABA 13 1.939 2.807 0.502
90 2HG ABA 13 HG2 ABA 13 1.521 3.578 2.082
91 3HG ABA 13 HG3 ABA 13 0.541 2.189 1.444
92 H TRP 14 HN TRP 14 -2.434 4.745 3.271
93 HA TRP 14 HA TRP 14 -3.277 1.982 3.197
94 1HB TRP 14 HB2 TRP 14 -3.579 4.242 5.257
95 2HB TRP 14 HB3 TRP 14 -4.347 2.631 5.470
96 HD1 TRP 14 HD1 TRP 14 -0.607 3.042 4.212
97 HE1 TRP 14 HE1 TRP 14 0.724 1.424 5.593
98 HE3 TRP 14 HE3 TRP 14 -4.139 1.988 7.765
99 HZ2 TRP 14 HZ2 TRP 14 0.391 -0.133 7.958
100 HZ3 TRP 14 HZ3 TRP 14 -3.581 0.343 9.527
101 HH2 TRP 14 HH2 TRP 14 -1.365 -0.765 9.555
102 H SER 15 HN SER 15 -4.693 5.145 2.319
103 HA SER 15 HA SER 15 -7.324 4.003 1.928
104 1HB SER 15 HB2 SER 15 -7.932 6.349 1.225
105 2HB SER 15 HB3 SER 15 -7.314 6.206 2.901
106 HG SER 15 HG SER 15 -5.281 6.860 2.136
107 H VAL 16 HN VAL 16 -4.564 3.453 0.417
108 HA VAL 16 HA VAL 16 -5.552 3.613 -2.349
109 HB VAL 16 HB VAL 16 -2.835 2.752 -1.232
110 1HG1 VAL 16 HG13 VAL 16 -3.828 3.056 -4.148
111 2HG1 VAL 16 HG11 VAL 16 -2.110 2.848 -3.631
112 3HG1 VAL 16 HG12 VAL 16 -3.281 1.526 -3.349
113 1HG2 VAL 16 HG21 VAL 16 -3.757 5.304 -2.709
114 2HG2 VAL 16 HG22 VAL 16 -3.253 5.205 -0.982
115 3HG2 VAL 16 HG23 VAL 16 -2.055 4.891 -2.284
116 H CYS 17 HN CYS 17 -4.364 1.195 0.103
117 HA CYS 17 HA CYS 17 -5.189 -1.029 -1.436
118 1HB CYS 17 HB2 CYS 17 -4.166 -0.516 1.375
119 2HB CYS 17 HB3 CYS 17 -4.908 -2.109 1.108
120 H GLN 18 HN GLN 18 -7.227 1.052 0.505
121 HA GLN 18 HA GLN 18 -9.187 -0.985 1.162
122 1HB GLN 18 HB2 GLN 18 -9.209 2.062 1.503
123 2HB GLN 18 HB3 GLN 18 -10.543 0.955 2.031
124 1HG GLN 18 HG2 GLN 18 -9.049 -0.206 3.592
125 2HG GLN 18 HG3 GLN 18 -7.658 0.793 3.039
126 1HE2 GLN 18 HE22 GLN 18 -10.745 2.588 5.266
127 2HE2 GLN 18 HE21 GLN 18 -11.083 1.233 4.241
128 H ARG 19 HN ARG 19 -8.736 1.707 -1.116
129 HA ARG 19 HA ARG 19 -11.322 1.438 -2.373
130 1HB ARG 19 HB2 ARG 19 -8.964 3.212 -3.122
131 2HB ARG 19 HB3 ARG 19 -10.634 3.273 -3.809
132 1HG ARG 19 HG2 ARG 19 -11.462 3.559 -1.371
133 2HG ARG 19 HG3 ARG 19 -9.757 3.917 -0.939
134 1HD ARG 19 HD2 ARG 19 -11.504 5.376 -3.031
135 2HD ARG 19 HD3 ARG 19 -11.074 6.005 -1.373
136 HE ARG 19 HE ARG 19 -8.651 5.341 -2.823
137 1HH1 ARG 19 HH11 ARG 19 -10.289 9.014 -3.571
138 2HH1 ARG 19 HH12 ARG 19 -11.265 7.782 -2.840
139 1HH2 ARG 19 HH22 ARG 19 -7.365 7.006 -3.817
140 2HH2 ARG 19 HH21 ARG 19 -8.048 8.567 -4.132
141 H LEU 20 HN LEU 20 -8.295 -0.135 -2.711
142 HA LEU 20 HA LEU 20 -8.549 -0.934 -5.478
143 1HB LEU 20 HB2 LEU 20 -6.463 -0.764 -3.365
144 2HB LEU 20 HB3 LEU 20 -6.394 -2.331 -4.208
145 HG LEU 20 HG LEU 20 -6.304 -1.327 -6.323
146 1HD1 LEU 20 HD13 LEU 20 -7.456 0.887 -6.058
147 2HD1 LEU 20 HD11 LEU 20 -6.121 1.464 -4.994
148 3HD1 LEU 20 HD12 LEU 20 -5.806 1.113 -6.729
149 1HD2 LEU 20 HD22 LEU 20 -4.233 -1.891 -5.151
150 2HD2 LEU 20 HD23 LEU 20 -3.954 -0.456 -6.209
151 3HD2 LEU 20 HD21 LEU 20 -4.149 -0.239 -4.427
152 H HIS 21 HN HIS 21 -8.040 -2.597 -2.338
153 HA HIS 21 HA HIS 21 -9.612 -4.911 -3.233
154 1HB HIS 21 HB2 HIS 21 -7.342 -4.630 -1.177
155 2HB HIS 21 HB3 HIS 21 -8.216 -6.162 -1.564
156 HD1 HIS 21 HD1 HIS 21 -7.762 -7.094 -4.072
157 HD2 HIS 21 HD2 HIS 21 -5.322 -3.872 -2.943
158 HE1 HIS 21 HE1 HIS 21 -5.809 -6.957 -5.714
159 H ASN 22 HN ASN 22 -8.827 -4.788 0.044
160 HA ASN 22 HA ASN 22 -10.824 -3.217 1.179
161 1HB ASN 22 HB2 ASN 22 -12.389 -5.091 2.078
162 2HB ASN 22 HB3 ASN 22 -12.611 -4.550 0.399
163 1HD2 ASN 22 HD22 ASN 22 -12.874 -7.952 -0.469
164 2HD2 ASN 22 HD21 ASN 22 -13.671 -6.430 -0.253
165 H THR 23 HN THR 23 -8.351 -3.118 1.808
166 HA THR 23 HA THR 23 -8.039 -4.457 4.349
167 HB THR 23 HB THR 23 -6.964 -6.176 3.264
168 HG1 THR 23 HG1 THR 23 -4.901 -4.279 3.582
169 1HG2 THR 23 HG21 THR 23 -5.784 -4.178 1.247
170 2HG2 THR 23 HG22 THR 23 -5.387 -5.940 1.376
171 3HG2 THR 23 HG23 THR 23 -7.055 -5.437 0.941
172 H SER 24 HN SER 24 -6.541 -3.316 5.672
173 HA SER 24 HA SER 24 -6.102 -0.514 4.856
174 1HB SER 24 HB2 SER 24 -6.704 -1.674 7.648
175 2HB SER 24 HB3 SER 24 -6.289 0.050 7.291
176 HG SER 24 HG SER 24 -8.124 0.101 5.957
177 H ARG 25 HN ARG 25 -4.794 -3.593 5.708
178 HA ARG 25 HA ARG 25 -2.310 -2.587 6.790
179 1HB ARG 25 HB2 ARG 25 -1.723 -5.011 7.115
180 2HB ARG 25 HB3 ARG 25 -3.040 -4.351 8.118
181 1HG ARG 25 HG2 ARG 25 -3.658 -5.913 5.566
182 2HG ARG 25 HG3 ARG 25 -3.298 -6.736 7.107
183 1HD ARG 25 HD2 ARG 25 -5.216 -6.000 8.207
184 2HD ARG 25 HD3 ARG 25 -5.430 -4.563 7.128
185 HE ARG 25 HE ARG 25 -5.859 -6.389 5.247
186 1HH1 ARG 25 HH22 ARG 25 -7.095 -6.410 8.609
187 2HH1 ARG 25 HH21 ARG 25 -8.585 -7.190 8.188
188 1HH2 ARG 25 HH12 ARG 25 -7.803 -7.531 4.737
189 2HH2 ARG 25 HH11 ARG 25 -8.990 -7.834 5.961
190 H GLY 26 HN GLY 26 -0.862 -1.958 5.340
191 1HA GLY 26 HA1 GLY 26 0.035 -3.263 3.075
192 2HA GLY 26 HA2 GLY 26 -1.376 -2.220 2.596
193 H LYS 27 HN LYS 27 1.946 -2.331 3.038
194 HA LYS 27 HA LYS 27 2.279 0.434 3.977
195 1HB LYS 27 HB2 LYS 27 4.253 -1.926 4.190
196 2HB LYS 27 HB3 LYS 27 4.375 -0.313 4.980
197 1HG LYS 27 HG2 LYS 27 2.304 -0.934 6.345
198 2HG LYS 27 HG3 LYS 27 2.325 -2.539 5.530
199 1HD LYS 27 HD2 LYS 27 4.867 -2.594 6.370
200 2HD LYS 27 HD3 LYS 27 4.265 -1.418 7.588
201 1HE LYS 27 HE2 LYS 27 3.190 -4.279 7.030
202 2HE LYS 27 HE3 LYS 27 4.154 -3.755 8.469
203 1HZ LYS 27 HZ1 LYS 27 1.444 -2.781 7.727
204 2HZ LYS 27 HZ2 LYS 27 1.813 -3.923 8.930
205 3HZ LYS 27 HZ3 LYS 27 2.340 -2.316 9.095
206 H CYS 28 HN CYS 28 5.256 -0.164 3.171
207 HA CYS 28 HA CYS 28 5.147 -0.540 0.344
208 1HB CYS 28 HB2 CYS 28 6.224 1.745 -0.220
209 2HB CYS 28 HB3 CYS 28 4.503 1.676 0.185
210 H MET 29 HN MET 29 7.381 -0.119 -0.643
211 HA MET 29 HA MET 29 9.401 -1.355 1.013
212 1HB MET 29 HB2 MET 29 8.556 -2.206 -1.294
213 2HB MET 29 HB3 MET 29 9.532 -0.903 -2.003
214 1HG MET 29 HG2 MET 29 11.462 -1.941 -0.454
215 2HG MET 29 HG3 MET 29 10.348 -3.329 -0.291
216 1HE MET 29 HE1 MET 29 8.962 -3.571 -3.145
217 2HE MET 29 HE2 MET 29 10.093 -4.594 -4.091
218 3HE MET 29 HE3 MET 29 9.738 -5.007 -2.383
219 H ASN 30 HN ASN 30 10.959 0.206 -1.434
220 HA ASN 30 HA ASN 30 11.850 2.383 0.219
221 1HB ASN 30 HB2 ASN 30 13.526 2.798 -1.653
222 2HB ASN 30 HB3 ASN 30 13.614 1.246 -0.779
223 1HD2 ASN 30 HD22 ASN 30 12.967 1.240 -4.831
224 2HD2 ASN 30 HD21 ASN 30 13.107 2.716 -3.936
225 H LYS 31 HN LYS 31 9.958 2.075 -2.757
226 HA LYS 31 HA LYS 31 9.496 5.004 -2.783
227 1HB LYS 31 HB2 LYS 31 10.436 3.207 -5.066
228 2HB LYS 31 HB3 LYS 31 9.785 4.849 -5.348
229 1HG LYS 31 HG2 LYS 31 11.543 5.902 -4.044
230 2HG LYS 31 HG3 LYS 31 12.268 4.311 -3.655
231 1HD LYS 31 HD2 LYS 31 13.486 4.372 -5.531
232 2HD LYS 31 HD3 LYS 31 11.974 4.283 -6.483
233 1HE LYS 31 HE2 LYS 31 13.317 6.214 -7.253
234 2HE LYS 31 HE3 LYS 31 11.827 6.835 -6.431
235 1HZ LYS 31 HZ1 LYS 31 14.538 6.598 -5.225
236 2HZ LYS 31 HZ2 LYS 31 13.797 8.023 -5.777
237 3HZ LYS 31 HZ3 LYS 31 13.145 7.186 -4.450
238 H LYS 32 HN LYS 32 7.845 1.862 -3.002
239 HA LYS 32 HA LYS 32 5.685 3.154 -4.529
240 1HB LYS 32 HB2 LYS 32 5.421 1.419 -6.001
241 2HB LYS 32 HB3 LYS 32 7.140 1.902 -6.098
242 1HG LYS 32 HG2 LYS 32 7.678 -0.041 -4.469
243 2HG LYS 32 HG3 LYS 32 5.994 -0.625 -4.762
244 1HD LYS 32 HD2 LYS 32 6.445 -0.722 -7.194
245 2HD LYS 32 HD3 LYS 32 8.128 -0.151 -6.900
246 1HE LYS 32 HE2 LYS 32 8.567 -2.209 -5.471
247 2HE LYS 32 HE3 LYS 32 6.888 -2.791 -5.812
248 1HZ LYS 32 HZ1 LYS 32 7.454 -2.860 -8.149
249 2HZ LYS 32 HZ2 LYS 32 9.031 -2.320 -7.820
250 3HZ LYS 32 HZ3 LYS 32 8.505 -3.822 -7.226
251 1HN ABA 33 HN ABA 33 3.547 2.208 -4.144
252 HA ABA 33 HA ABA 33 3.236 1.286 -1.468
253 1HB ABA 33 HB3 ABA 33 1.340 1.979 -3.735
254 2HB ABA 33 HB2 ABA 33 1.815 2.979 -2.343
255 1HG ABA 33 HG1 ABA 33 0.781 1.297 -0.784
256 2HG ABA 33 HG2 ABA 33 -0.402 2.121 -1.882
257 3HG ABA 33 HG3 ABA 33 0.088 0.417 -2.198
258 H ARG 34 HN ARG 34 2.530 -0.740 -0.772
259 HA ARG 34 HA ARG 34 1.984 -2.861 -2.716
260 1HB ARG 34 HB2 ARG 34 3.939 -3.110 -0.339
261 2HB ARG 34 HB3 ARG 34 3.286 -4.484 -1.305
262 1HG ARG 34 HG2 ARG 34 4.226 -3.320 -3.385
263 2HG ARG 34 HG3 ARG 34 5.180 -2.276 -2.278
264 1HD ARG 34 HD2 ARG 34 5.220 -5.378 -2.318
265 2HD ARG 34 HD3 ARG 34 6.422 -4.316 -3.177
266 HE ARG 34 HE ARG 34 6.573 -3.356 -0.598
267 1HH1 ARG 34 HH12 ARG 34 6.778 -6.659 -1.955
268 2HH1 ARG 34 HH11 ARG 34 8.035 -7.167 -0.875
269 1HH2 ARG 34 HH22 ARG 34 8.269 -4.059 0.834
270 2HH2 ARG 34 HH21 ARG 34 8.890 -5.673 0.727
271 H CYS 35 HN CYS 35 1.323 -4.838 -0.953
272 HA CYS 35 HA CYS 35 -0.549 -3.748 0.949
273 1HB CYS 35 HB2 CYS 35 -1.466 -4.112 -1.633
274 2HB CYS 35 HB3 CYS 35 -1.809 -5.721 -0.973
275 H TYR 36 HN TYR 36 -1.247 -5.370 2.367
276 HA TYR 36 HA TYR 36 0.502 -7.733 2.600
277 1HB TYR 36 HB2 TYR 36 0.505 -5.127 4.215
278 2HB TYR 36 HB3 TYR 36 0.928 -6.653 5.089
279 HD1 TYR 36 HD2 TYR 36 2.636 -8.199 3.610
280 HD2 TYR 36 HD1 TYR 36 2.328 -3.923 3.545
281 HE1 TYR 36 HE2 TYR 36 5.040 -8.030 3.031
282 HE2 TYR 36 HE1 TYR 36 4.716 -3.739 2.940
283 HH TYR 36 HH TYR 36 6.778 -6.675 2.671
284 H SER 37 HN SER 37 -1.810 -8.397 2.006
285 HA SER 37 HA SER 37 -3.866 -7.999 3.930
286 1HB SER 37 HB2 SER 37 -5.186 -9.595 2.535
287 2HB SER 37 HB3 SER 37 -4.464 -8.245 1.586
288 HG SER 37 HG SER 37 -4.214 -10.272 0.608
No H/Q in entry = 288
Start of MODEL 15
1 HA PCA 1 HA PGL 1 -3.833 -7.351 -4.856
2 1HB PCA 1 HB2 PGL 1 -3.367 -6.641 -2.028
3 2HB PCA 1 HB3 PGL 1 -4.904 -7.045 -2.858
4 1HG PCA 1 HG2 PGL 1 -3.231 -8.778 -1.090
5 2HG PCA 1 HG3 PGL 1 -4.947 -9.016 -1.652
6 HN PCA 1 HN PGL 1 -2.593 -9.454 -4.945
7 H PHE 2 HN PHE 2 -2.499 -5.988 -5.941
8 HA PHE 2 HA PHE 2 0.082 -5.188 -4.797
9 1HB PHE 2 HB2 PHE 2 -0.513 -6.255 -7.642
10 2HB PHE 2 HB3 PHE 2 0.915 -5.210 -7.289
11 HD1 PHE 2 HD1 PHE 2 2.488 -5.899 -5.401
12 HD2 PHE 2 HD2 PHE 2 -0.294 -8.602 -7.259
13 HE1 PHE 2 HE1 PHE 2 3.845 -7.817 -4.643
14 HE2 PHE 2 HE2 PHE 2 1.061 -10.523 -6.484
15 HZ PHE 2 HZ PHE 2 3.136 -10.135 -5.179
16 H THR 3 HN THR 3 0.801 -3.170 -5.527
17 HA THR 3 HA THR 3 -1.027 -1.374 -6.900
18 HB THR 3 HB THR 3 -0.204 0.349 -5.009
19 HG1 THR 3 HG1 THR 3 0.500 -0.493 -3.336
20 1HG2 THR 3 HG21 THR 3 -2.569 -0.161 -5.546
21 2HG2 THR 3 HG22 THR 3 -2.500 -1.645 -4.515
22 3HG2 THR 3 HG23 THR 3 -2.309 -0.018 -3.766
23 H ASN 4 HN ASN 4 0.211 0.385 -7.851
24 HA ASN 4 HA ASN 4 3.113 0.193 -7.803
25 1HB ASN 4 HB2 ASN 4 3.156 0.353 -10.354
26 2HB ASN 4 HB3 ASN 4 2.732 -1.239 -9.674
27 1HD2 ASN 4 HD22 ASN 4 0.075 0.695 -12.134
28 2HD2 ASN 4 HD21 ASN 4 1.611 1.381 -11.719
29 H VAL 5 HN VAL 5 1.977 1.887 -6.300
30 HA VAL 5 HA VAL 5 1.749 4.484 -7.671
31 HB VAL 5 HB VAL 5 1.153 3.928 -4.728
32 1HG1 VAL 5 HG11 VAL 5 0.063 5.919 -6.854
33 2HG1 VAL 5 HG12 VAL 5 -0.551 5.768 -5.170
34 3HG1 VAL 5 HG13 VAL 5 1.119 6.356 -5.455
35 1HG2 VAL 5 HG23 VAL 5 -0.673 3.343 -7.129
36 2HG2 VAL 5 HG21 VAL 5 -0.122 2.212 -5.822
37 3HG2 VAL 5 HG22 VAL 5 -1.233 3.562 -5.431
38 H SER 6 HN SER 6 2.712 6.085 -5.591
39 HA SER 6 HA SER 6 5.485 5.196 -5.107
40 1HB SER 6 HB2 SER 6 6.152 7.659 -5.196
41 2HB SER 6 HB3 SER 6 5.763 6.847 -6.736
42 HG SER 6 HG SER 6 4.809 8.900 -6.547
43 H CYS 7 HN CYS 7 6.059 5.080 -3.129
44 HA CYS 7 HA CYS 7 4.568 6.583 -1.005
45 1HB CYS 7 HB2 CYS 7 3.349 4.666 -1.094
46 2HB CYS 7 HB3 CYS 7 4.748 3.596 -1.104
47 H THR 8 HN THR 8 5.754 6.936 0.855
48 HA THR 8 HA THR 8 8.593 6.147 0.955
49 HB THR 8 HB THR 8 9.082 8.354 2.105
50 HG1 THR 8 HG1 THR 8 6.840 8.898 2.368
51 1HG2 THR 8 HG23 THR 8 9.777 7.765 -0.230
52 2HG2 THR 8 HG21 THR 8 8.241 8.462 -0.868
53 3HG2 THR 8 HG22 THR 8 9.433 9.521 -0.028
54 H THR 9 HN THR 9 5.667 7.214 2.781
55 HA THR 9 HA THR 9 6.658 5.837 5.205
56 HB THR 9 HB THR 9 4.964 7.304 6.422
57 HG1 THR 9 HG1 THR 9 4.481 9.245 5.330
58 1HG2 THR 9 HG22 THR 9 7.419 7.694 6.417
59 2HG2 THR 9 HG23 THR 9 7.255 8.726 4.939
60 3HG2 THR 9 HG21 THR 9 6.466 9.227 6.488
61 H SER 10 HN SER 10 5.573 4.036 5.786
62 HA SER 10 HA SER 10 3.711 2.698 4.573
63 1HB SER 10 HB2 SER 10 4.961 1.750 6.359
64 2HB SER 10 HB3 SER 10 4.144 2.801 7.578
65 HG SER 10 HG SER 10 2.243 1.612 7.113
66 H LYS 11 HN LYS 11 2.572 4.869 7.046
67 HA LYS 11 HA LYS 11 -0.106 4.419 7.095
68 1HB LYS 11 HB2 LYS 11 1.201 5.652 8.787
69 2HB LYS 11 HB3 LYS 11 1.402 7.031 7.668
70 1HG LYS 11 HG2 LYS 11 -1.070 7.444 7.732
71 2HG LYS 11 HG3 LYS 11 -1.290 6.005 8.792
72 1HD LYS 11 HD2 LYS 11 0.029 7.086 10.578
73 2HD LYS 11 HD3 LYS 11 0.437 8.465 9.499
74 1HE LYS 11 HE2 LYS 11 -2.428 7.748 10.450
75 2HE LYS 11 HE3 LYS 11 -1.378 9.049 11.143
76 1HZ LYS 11 HZ3 LYS 11 -1.367 10.118 8.995
77 2HZ LYS 11 HZ1 LYS 11 -2.352 8.903 8.337
78 3HZ LYS 11 HZ2 LYS 11 -2.952 9.907 9.569
79 H GLU 12 HN GLU 12 1.637 6.606 4.829
80 HA GLU 12 HA GLU 12 -0.110 8.244 3.796
81 1HB GLU 12 HB2 GLU 12 2.390 7.732 3.434
82 2HB GLU 12 HB3 GLU 12 1.921 6.612 2.140
83 1HG GLU 12 HG2 GLU 12 0.731 8.647 1.017
84 2HG GLU 12 HG3 GLU 12 1.462 9.648 2.336
85 1HN ABA 13 HN ABA 13 0.142 4.836 2.853
86 HA ABA 13 HA ABA 13 -1.744 5.142 0.589
87 1HB ABA 13 HB3 ABA 13 0.480 4.961 -0.189
88 2HB ABA 13 HB2 ABA 13 -0.343 3.422 -0.503
89 1HG ABA 13 HG1 ABA 13 0.905 2.409 1.489
90 2HG ABA 13 HG2 ABA 13 1.997 3.175 0.257
91 3HG ABA 13 HG3 ABA 13 1.648 4.033 1.791
92 H TRP 14 HN TRP 14 -2.534 4.482 3.361
93 HA TRP 14 HA TRP 14 -3.355 1.698 3.234
94 1HB TRP 14 HB2 TRP 14 -3.633 3.877 5.370
95 2HB TRP 14 HB3 TRP 14 -4.499 2.309 5.511
96 HD1 TRP 14 HD1 TRP 14 -0.859 2.251 4.160
97 HE1 TRP 14 HE1 TRP 14 0.462 0.785 5.725
98 HE3 TRP 14 HE3 TRP 14 -4.331 1.804 7.886
99 HZ2 TRP 14 HZ2 TRP 14 0.075 -0.547 8.209
100 HZ3 TRP 14 HZ3 TRP 14 -3.840 0.283 9.774
101 HH2 TRP 14 HH2 TRP 14 -1.679 -0.924 9.892
102 H SER 15 HN SER 15 -4.792 4.811 2.366
103 HA SER 15 HA SER 15 -7.467 3.721 2.197
104 1HB SER 15 HB2 SER 15 -8.092 6.047 1.467
105 2HB SER 15 HB3 SER 15 -7.354 5.939 3.097
106 HG SER 15 HG SER 15 -5.954 6.633 0.733
107 H VAL 16 HN VAL 16 -4.699 3.419 0.448
108 HA VAL 16 HA VAL 16 -5.890 3.511 -2.215
109 HB VAL 16 HB VAL 16 -3.019 2.874 -1.335
110 1HG1 VAL 16 HG12 VAL 16 -4.268 3.484 -4.109
111 2HG1 VAL 16 HG13 VAL 16 -2.504 3.397 -3.750
112 3HG1 VAL 16 HG11 VAL 16 -3.511 1.923 -3.608
113 1HG2 VAL 16 HG21 VAL 16 -4.333 5.477 -2.361
114 2HG2 VAL 16 HG22 VAL 16 -3.665 5.202 -0.706
115 3HG2 VAL 16 HG23 VAL 16 -2.564 5.218 -2.121
116 H CYS 17 HN CYS 17 -4.732 1.175 0.283
117 HA CYS 17 HA CYS 17 -5.162 -1.160 -1.344
118 1HB CYS 17 HB2 CYS 17 -4.232 -0.502 1.477
119 2HB CYS 17 HB3 CYS 17 -4.817 -2.161 1.203
120 H GLN 18 HN GLN 18 -7.235 0.842 0.666
121 HA GLN 18 HA GLN 18 -9.021 -1.249 1.457
122 1HB GLN 18 HB2 GLN 18 -8.271 0.553 2.970
123 2HB GLN 18 HB3 GLN 18 -8.966 1.799 1.887
124 1HG GLN 18 HG2 GLN 18 -11.252 0.943 2.313
125 2HG GLN 18 HG3 GLN 18 -10.578 -0.456 3.241
126 1HE2 GLN 18 HE22 GLN 18 -11.714 1.992 5.802
127 2HE2 GLN 18 HE21 GLN 18 -12.385 0.882 4.657
128 H ARG 19 HN ARG 19 -8.867 1.496 -0.831
129 HA ARG 19 HA ARG 19 -11.617 1.209 -1.670
130 1HB ARG 19 HB2 ARG 19 -9.438 3.153 -2.507
131 2HB ARG 19 HB3 ARG 19 -11.151 3.190 -3.058
132 1HG ARG 19 HG2 ARG 19 -11.195 2.995 -0.153
133 2HG ARG 19 HG3 ARG 19 -9.981 4.230 -0.604
134 1HD ARG 19 HD2 ARG 19 -12.070 5.341 -0.309
135 2HD ARG 19 HD3 ARG 19 -11.700 5.325 -2.100
136 HE ARG 19 HE ARG 19 -13.224 3.069 -1.890
137 1HH1 ARG 19 HH22 ARG 19 -13.818 6.318 -0.503
138 2HH1 ARG 19 HH21 ARG 19 -15.543 6.182 -0.602
139 1HH2 ARG 19 HH12 ARG 19 -15.545 2.926 -2.015
140 2HH2 ARG 19 HH11 ARG 19 -16.529 4.243 -1.467
141 H LEU 20 HN LEU 20 -8.496 -0.079 -2.671
142 HA LEU 20 HA LEU 20 -9.270 -0.581 -5.395
143 1HB LEU 20 HB2 LEU 20 -7.019 0.245 -4.879
144 2HB LEU 20 HB3 LEU 20 -6.726 -1.154 -3.802
145 HG LEU 20 HG LEU 20 -6.877 -2.691 -5.712
146 1HD1 LEU 20 HD11 LEU 20 -7.223 -0.171 -7.479
147 2HD1 LEU 20 HD12 LEU 20 -6.865 -1.829 -8.091
148 3HD1 LEU 20 HD13 LEU 20 -8.427 -1.497 -7.263
149 1HD2 LEU 20 HD21 LEU 20 -4.704 -1.742 -5.030
150 2HD2 LEU 20 HD22 LEU 20 -4.738 -2.082 -6.800
151 3HD2 LEU 20 HD23 LEU 20 -4.900 -0.385 -6.204
152 H HIS 21 HN HIS 21 -8.546 -2.416 -2.307
153 HA HIS 21 HA HIS 21 -9.659 -4.846 -3.534
154 1HB HIS 21 HB2 HIS 21 -7.394 -4.516 -1.480
155 2HB HIS 21 HB3 HIS 21 -8.099 -6.088 -2.015
156 HD1 HIS 21 HD1 HIS 21 -7.757 -6.605 -4.684
157 HD2 HIS 21 HD2 HIS 21 -5.387 -3.534 -3.089
158 HE1 HIS 21 HE1 HIS 21 -5.797 -6.213 -6.273
159 H ASN 22 HN ASN 22 -8.846 -5.054 -0.276
160 HA ASN 22 HA ASN 22 -11.206 -4.191 0.952
161 1HB ASN 22 HB2 ASN 22 -12.402 -6.364 1.355
162 2HB ASN 22 HB3 ASN 22 -12.496 -5.830 -0.336
163 1HD2 ASN 22 HD22 ASN 22 -10.500 -8.559 -1.682
164 2HD2 ASN 22 HD21 ASN 22 -10.859 -6.883 -1.922
165 H THR 23 HN THR 23 -8.941 -3.595 1.881
166 HA THR 23 HA THR 23 -8.748 -5.165 4.283
167 HB THR 23 HB THR 23 -7.029 -6.183 2.749
168 HG1 THR 23 HG1 THR 23 -6.860 -6.265 4.952
169 1HG2 THR 23 HG23 THR 23 -6.308 -4.073 1.545
170 2HG2 THR 23 HG21 THR 23 -5.507 -3.520 3.072
171 3HG2 THR 23 HG22 THR 23 -4.945 -5.013 2.256
172 H SER 24 HN SER 24 -6.621 -3.463 5.370
173 HA SER 24 HA SER 24 -7.265 -0.767 4.569
174 1HB SER 24 HB2 SER 24 -7.765 0.097 6.869
175 2HB SER 24 HB3 SER 24 -9.047 -0.962 6.200
176 HG SER 24 HG SER 24 -7.101 -1.612 8.137
177 H ARG 25 HN ARG 25 -5.030 -3.085 5.047
178 HA ARG 25 HA ARG 25 -3.101 -1.405 6.494
179 1HB ARG 25 HB2 ARG 25 -3.141 -4.468 6.207
180 2HB ARG 25 HB3 ARG 25 -1.869 -3.491 7.004
181 1HG ARG 25 HG2 ARG 25 -3.027 -4.354 8.768
182 2HG ARG 25 HG3 ARG 25 -3.550 -2.644 8.669
183 1HD ARG 25 HD2 ARG 25 -5.434 -4.270 9.245
184 2HD ARG 25 HD3 ARG 25 -5.746 -3.328 7.752
185 HE ARG 25 HE ARG 25 -5.447 -5.231 6.396
186 1HH1 ARG 25 HH12 ARG 25 -4.599 -6.072 9.774
187 2HH1 ARG 25 HH11 ARG 25 -4.564 -7.778 9.476
188 1HH2 ARG 25 HH22 ARG 25 -5.414 -7.521 6.032
189 2HH2 ARG 25 HH21 ARG 25 -5.032 -8.609 7.325
190 H GLY 26 HN GLY 26 -0.850 -2.282 5.820
191 1HA GLY 26 HA1 GLY 26 0.007 -3.190 3.503
192 2HA GLY 26 HA2 GLY 26 -0.472 -1.482 3.088
193 H LYS 27 HN LYS 27 2.115 -1.842 2.783
194 HA LYS 27 HA LYS 27 3.055 0.097 4.664
195 1HB LYS 27 HB2 LYS 27 4.823 -2.319 3.845
196 2HB LYS 27 HB3 LYS 27 5.360 -0.885 4.783
197 1HG LYS 27 HG2 LYS 27 3.797 -1.561 6.633
198 2HG LYS 27 HG3 LYS 27 3.444 -3.082 5.736
199 1HD LYS 27 HD2 LYS 27 6.285 -2.162 6.449
200 2HD LYS 27 HD3 LYS 27 5.283 -3.129 7.594
201 1HE LYS 27 HE2 LYS 27 6.110 -4.050 4.757
202 2HE LYS 27 HE3 LYS 27 6.954 -4.506 6.287
203 1HZ LYS 27 HZ3 LYS 27 4.111 -5.078 5.643
204 2HZ LYS 27 HZ1 LYS 27 5.404 -6.175 5.574
205 3HZ LYS 27 HZ2 LYS 27 4.928 -5.516 7.066
206 H CYS 28 HN CYS 28 5.551 0.202 3.303
207 HA CYS 28 HA CYS 28 5.264 -0.316 0.530
208 1HB CYS 28 HB2 CYS 28 5.943 2.042 -0.202
209 2HB CYS 28 HB3 CYS 28 4.274 1.860 0.392
210 H MET 29 HN MET 29 7.475 0.367 -0.509
211 HA MET 29 HA MET 29 9.476 -0.833 1.233
212 1HB MET 29 HB2 MET 29 8.543 -1.809 -0.993
213 2HB MET 29 HB3 MET 29 9.654 -0.665 -1.795
214 1HG MET 29 HG2 MET 29 11.494 -1.724 -0.235
215 2HG MET 29 HG3 MET 29 10.219 -2.890 0.272
216 1HE MET 29 HE1 MET 29 13.091 -3.592 -0.808
217 2HE MET 29 HE2 MET 29 11.860 -4.791 -0.276
218 3HE MET 29 HE3 MET 29 12.716 -5.014 -1.841
219 H ASN 30 HN ASN 30 11.110 0.483 -1.302
220 HA ASN 30 HA ASN 30 12.015 2.781 0.189
221 1HB ASN 30 HB2 ASN 30 13.755 3.064 -1.516
222 2HB ASN 30 HB3 ASN 30 13.732 1.433 -0.795
223 1HD2 ASN 30 HD22 ASN 30 14.326 1.229 -4.535
224 2HD2 ASN 30 HD21 ASN 30 15.068 2.103 -3.241
225 H LYS 31 HN LYS 31 10.156 2.239 -2.783
226 HA LYS 31 HA LYS 31 9.631 5.130 -3.044
227 1HB LYS 31 HB2 LYS 31 10.872 3.227 -5.083
228 2HB LYS 31 HB3 LYS 31 10.135 4.777 -5.580
229 1HG LYS 31 HG2 LYS 31 11.684 6.097 -4.284
230 2HG LYS 31 HG3 LYS 31 12.488 4.625 -3.626
231 1HD LYS 31 HD2 LYS 31 13.281 3.946 -5.791
232 2HD LYS 31 HD3 LYS 31 12.258 5.163 -6.631
233 1HE LYS 31 HE2 LYS 31 14.646 5.901 -6.573
234 2HE LYS 31 HE3 LYS 31 13.593 7.040 -5.640
235 1HZ LYS 31 HZ1 LYS 31 14.285 5.897 -3.616
236 2HZ LYS 31 HZ2 LYS 31 15.302 4.878 -4.522
237 3HZ LYS 31 HZ3 LYS 31 15.600 6.551 -4.467
238 H LYS 32 HN LYS 32 8.008 2.030 -2.909
239 HA LYS 32 HA LYS 32 5.904 3.165 -4.577
240 1HB LYS 32 HB2 LYS 32 5.595 1.403 -5.984
241 2HB LYS 32 HB3 LYS 32 7.322 1.831 -6.138
242 1HG LYS 32 HG2 LYS 32 7.902 -0.100 -4.562
243 2HG LYS 32 HG3 LYS 32 6.165 -0.586 -4.609
244 1HD LYS 32 HD2 LYS 32 6.290 -0.742 -7.097
245 2HD LYS 32 HD3 LYS 32 8.042 -0.359 -7.010
246 1HE LYS 32 HE2 LYS 32 7.732 -2.837 -7.225
247 2HE LYS 32 HE3 LYS 32 8.404 -2.455 -5.589
248 1HZ LYS 32 HZ3 LYS 32 5.545 -2.966 -6.236
249 2HZ LYS 32 HZ1 LYS 32 6.622 -4.048 -5.492
250 3HZ LYS 32 HZ2 LYS 32 6.176 -2.614 -4.699
251 1HN ABA 33 HN ABA 33 3.834 2.192 -4.230
252 HA ABA 33 HA ABA 33 3.325 1.519 -1.521
253 1HB ABA 33 HB3 ABA 33 1.536 1.738 -3.988
254 2HB ABA 33 HB2 ABA 33 1.952 3.026 -2.803
255 1HG ABA 33 HG1 ABA 33 0.935 1.667 -0.966
256 2HG ABA 33 HG2 ABA 33 -0.244 2.252 -2.207
257 3HG ABA 33 HG3 ABA 33 0.267 0.526 -2.160
258 H ARG 34 HN ARG 34 2.708 -0.497 -0.683
259 HA ARG 34 HA ARG 34 2.263 -2.731 -2.525
260 1HB ARG 34 HB2 ARG 34 4.683 -2.716 -1.335
261 2HB ARG 34 HB3 ARG 34 3.757 -3.373 0.043
262 1HG ARG 34 HG2 ARG 34 2.790 -5.101 -1.700
263 2HG ARG 34 HG3 ARG 34 4.012 -4.450 -2.844
264 1HD ARG 34 HD2 ARG 34 5.861 -5.202 -1.249
265 2HD ARG 34 HD3 ARG 34 4.575 -5.811 -0.107
266 HE ARG 34 HE ARG 34 4.397 -6.802 -2.920
267 1HH1 ARG 34 HH22 ARG 34 5.717 -7.489 0.340
268 2HH1 ARG 34 HH21 ARG 34 5.877 -9.190 0.043
269 1HH2 ARG 34 HH12 ARG 34 4.620 -9.066 -3.276
270 2HH2 ARG 34 HH11 ARG 34 5.248 -10.098 -2.032
271 H CYS 35 HN CYS 35 1.402 -4.617 -0.828
272 HA CYS 35 HA CYS 35 -0.658 -3.479 0.822
273 1HB CYS 35 HB2 CYS 35 -1.302 -3.667 -1.809
274 2HB CYS 35 HB3 CYS 35 -1.608 -5.363 -1.405
275 H TYR 36 HN TYR 36 -1.368 -4.970 2.230
276 HA TYR 36 HA TYR 36 -0.111 -7.625 2.378
277 1HB TYR 36 HB2 TYR 36 0.338 -5.260 4.291
278 2HB TYR 36 HB3 TYR 36 0.585 -6.973 4.848
279 HD1 TYR 36 HD2 TYR 36 2.175 -8.409 3.269
280 HD2 TYR 36 HD1 TYR 36 2.166 -4.135 3.532
281 HE1 TYR 36 HE2 TYR 36 4.540 -8.353 2.549
282 HE2 TYR 36 HE1 TYR 36 4.527 -4.057 2.856
283 HH TYR 36 HH TYR 36 6.341 -5.252 2.276
284 H SER 37 HN SER 37 -2.333 -8.150 1.867
285 HA SER 37 HA SER 37 -4.338 -7.664 3.933
286 1HB SER 37 HB2 SER 37 -4.974 -7.388 1.519
287 2HB SER 37 HB3 SER 37 -4.559 -9.115 1.226
288 HG SER 37 HG SER 37 -6.135 -9.642 2.792
No H/Q in entry = 288
Start of MODEL 16
1 HA PCA 1 HA PGL 1 3.738 -5.827 -4.008
2 1HB PCA 1 HB2 PGL 1 4.091 -5.507 -7.045
3 2HB PCA 1 HB3 PGL 1 4.378 -4.278 -5.749
4 1HG PCA 1 HG2 PGL 1 6.422 -5.819 -6.889
5 2HG PCA 1 HG3 PGL 1 6.462 -5.337 -5.129
6 HN PCA 1 HN PGL 1 4.004 -8.308 -4.645
7 H PHE 2 HN PHE 2 1.666 -4.678 -4.466
8 HA PHE 2 HA PHE 2 -0.313 -6.248 -5.912
9 1HB PHE 2 HB2 PHE 2 -0.193 -5.791 -2.914
10 2HB PHE 2 HB3 PHE 2 -1.812 -5.574 -3.653
11 HD1 PHE 2 HD1 PHE 2 -2.426 -7.419 -5.499
12 HD2 PHE 2 HD2 PHE 2 0.150 -7.990 -2.105
13 HE1 PHE 2 HE1 PHE 2 -2.950 -9.832 -5.507
14 HE2 PHE 2 HE2 PHE 2 -0.396 -10.400 -2.099
15 HZ PHE 2 HZ PHE 2 -1.944 -11.328 -3.804
16 H THR 3 HN THR 3 1.065 -3.292 -5.226
17 HA THR 3 HA THR 3 -0.933 -2.095 -6.981
18 HB THR 3 HB THR 3 -1.285 -0.063 -5.976
19 HG1 THR 3 HG1 THR 3 0.204 -0.439 -3.669
20 1HG2 THR 3 HG21 THR 3 -2.680 -1.819 -4.879
21 2HG2 THR 3 HG22 THR 3 -1.401 -2.065 -3.623
22 3HG2 THR 3 HG23 THR 3 -2.263 -0.505 -3.716
23 H ASN 4 HN ASN 4 0.210 0.240 -7.660
24 HA ASN 4 HA ASN 4 3.071 0.057 -7.811
25 1HB ASN 4 HB2 ASN 4 2.994 0.297 -10.395
26 2HB ASN 4 HB3 ASN 4 2.721 -1.329 -9.720
27 1HD2 ASN 4 HD22 ASN 4 -0.038 -1.709 -11.857
28 2HD2 ASN 4 HD21 ASN 4 1.512 -2.266 -11.319
29 H VAL 5 HN VAL 5 1.587 1.746 -6.302
30 HA VAL 5 HA VAL 5 1.502 4.303 -7.752
31 HB VAL 5 HB VAL 5 0.805 4.011 -4.808
32 1HG1 VAL 5 HG11 VAL 5 -0.261 5.705 -7.179
33 2HG1 VAL 5 HG12 VAL 5 -0.875 5.762 -5.485
34 3HG1 VAL 5 HG13 VAL 5 0.791 6.312 -5.847
35 1HG2 VAL 5 HG21 VAL 5 -0.890 3.058 -7.190
36 2HG2 VAL 5 HG22 VAL 5 -0.347 2.127 -5.728
37 3HG2 VAL 5 HG23 VAL 5 -1.538 3.463 -5.558
38 H SER 6 HN SER 6 2.391 6.081 -5.840
39 HA SER 6 HA SER 6 5.171 5.282 -5.243
40 1HB SER 6 HB2 SER 6 5.688 7.782 -5.292
41 2HB SER 6 HB3 SER 6 5.351 6.972 -6.846
42 HG SER 6 HG SER 6 3.472 8.464 -5.333
43 H CYS 7 HN CYS 7 5.797 5.255 -3.255
44 HA CYS 7 HA CYS 7 4.185 6.625 -1.134
45 1HB CYS 7 HB2 CYS 7 3.281 4.518 -1.166
46 2HB CYS 7 HB3 CYS 7 4.834 3.696 -1.129
47 H THR 8 HN THR 8 5.321 7.087 0.761
48 HA THR 8 HA THR 8 8.250 6.866 0.775
49 HB THR 8 HB THR 8 8.305 9.101 1.999
50 HG1 THR 8 HG1 THR 8 6.614 10.488 1.468
51 1HG2 THR 8 HG21 THR 8 9.096 8.731 -0.352
52 2HG2 THR 8 HG22 THR 8 7.443 9.106 -0.969
53 3HG2 THR 8 HG23 THR 8 8.395 10.371 -0.111
54 H THR 9 HN THR 9 5.250 7.443 2.734
55 HA THR 9 HA THR 9 6.588 6.343 5.116
56 HB THR 9 HB THR 9 4.746 7.572 6.368
57 HG1 THR 9 HG1 THR 9 3.782 9.246 5.220
58 1HG2 THR 9 HG22 THR 9 7.093 8.409 6.120
59 2HG2 THR 9 HG23 THR 9 6.632 9.256 4.593
60 3HG2 THR 9 HG21 THR 9 5.882 9.745 6.160
61 H SER 10 HN SER 10 5.636 4.737 6.365
62 HA SER 10 HA SER 10 3.501 3.159 5.189
63 1HB SER 10 HB2 SER 10 4.006 1.530 7.054
64 2HB SER 10 HB3 SER 10 5.343 1.853 5.906
65 HG SER 10 HG SER 10 6.009 1.845 8.056
66 H LYS 11 HN LYS 11 1.928 4.749 5.338
67 HA LYS 11 HA LYS 11 0.174 4.736 7.458
68 1HB LYS 11 HB2 LYS 11 2.221 6.535 8.095
69 2HB LYS 11 HB3 LYS 11 1.067 7.638 7.320
70 1HG LYS 11 HG2 LYS 11 0.428 5.654 9.601
71 2HG LYS 11 HG3 LYS 11 0.892 7.376 9.840
72 1HD LYS 11 HD2 LYS 11 -1.135 8.130 8.629
73 2HD LYS 11 HD3 LYS 11 -1.631 6.421 8.346
74 1HE LYS 11 HE2 LYS 11 -1.853 6.029 10.796
75 2HE LYS 11 HE3 LYS 11 -1.299 7.721 11.134
76 1HZ LYS 11 HZ1 LYS 11 -3.718 6.970 9.578
77 2HZ LYS 11 HZ2 LYS 11 -3.688 7.476 11.200
78 3HZ LYS 11 HZ3 LYS 11 -3.206 8.543 9.969
79 H GLU 12 HN GLU 12 1.586 6.362 4.593
80 HA GLU 12 HA GLU 12 -0.564 7.597 3.521
81 1HB GLU 12 HB2 GLU 12 2.087 7.443 3.173
82 2HB GLU 12 HB3 GLU 12 1.674 6.446 1.777
83 1HG GLU 12 HG2 GLU 12 0.182 8.363 0.922
84 2HG GLU 12 HG3 GLU 12 0.664 9.312 2.382
85 1HN ABA 13 HN ABA 13 0.214 4.190 3.311
86 HA ABA 13 HA ABA 13 -1.033 3.735 0.740
87 1HB ABA 13 HB3 ABA 13 -0.042 1.524 0.842
88 2HB ABA 13 HB2 ABA 13 0.317 1.704 2.605
89 1HG ABA 13 HG1 ABA 13 1.961 3.442 2.161
90 2HG ABA 13 HG2 ABA 13 2.276 2.020 1.095
91 3HG ABA 13 HG3 ABA 13 1.533 3.505 0.404
92 H TRP 14 HN TRP 14 -2.558 4.086 3.534
93 HA TRP 14 HA TRP 14 -4.189 1.716 3.704
94 1HB TRP 14 HB2 TRP 14 -3.929 4.339 5.207
95 2HB TRP 14 HB3 TRP 14 -5.442 3.368 5.383
96 HD1 TRP 14 HD1 TRP 14 -5.573 1.566 6.954
97 HE1 TRP 14 HE1 TRP 14 -3.992 -0.009 8.150
98 HE3 TRP 14 HE3 TRP 14 -1.156 3.244 5.047
99 HZ2 TRP 14 HZ2 TRP 14 -1.173 -0.295 8.570
100 HZ3 TRP 14 HZ3 TRP 14 0.936 2.178 5.769
101 HH2 TRP 14 HH2 TRP 14 0.948 0.471 7.545
102 H SER 15 HN SER 15 -4.421 4.960 2.104
103 HA SER 15 HA SER 15 -7.208 4.582 1.404
104 1HB SER 15 HB2 SER 15 -6.951 6.890 0.392
105 2HB SER 15 HB3 SER 15 -6.611 6.796 2.150
106 HG SER 15 HG SER 15 -4.662 6.765 0.096
107 H VAL 16 HN VAL 16 -4.294 3.398 0.273
108 HA VAL 16 HA VAL 16 -5.178 3.215 -2.529
109 HB VAL 16 HB VAL 16 -2.579 2.177 -1.319
110 1HG1 VAL 16 HG12 VAL 16 -3.367 1.218 -3.572
111 2HG1 VAL 16 HG13 VAL 16 -3.470 2.897 -4.205
112 3HG1 VAL 16 HG11 VAL 16 -1.878 2.210 -3.704
113 1HG2 VAL 16 HG23 VAL 16 -3.240 4.925 -2.569
114 2HG2 VAL 16 HG21 VAL 16 -2.625 4.609 -0.899
115 3HG2 VAL 16 HG22 VAL 16 -1.579 4.284 -2.320
116 H CYS 17 HN CYS 17 -4.473 1.173 0.401
117 HA CYS 17 HA CYS 17 -5.334 -1.215 -0.816
118 1HB CYS 17 HB2 CYS 17 -4.621 -0.369 2.013
119 2HB CYS 17 HB3 CYS 17 -5.234 -2.016 1.699
120 H GLN 18 HN GLN 18 -7.307 1.360 0.489
121 HA GLN 18 HA GLN 18 -9.510 -0.412 1.186
122 1HB GLN 18 HB2 GLN 18 -9.235 2.616 1.247
123 2HB GLN 18 HB3 GLN 18 -10.798 1.753 1.557
124 1HG GLN 18 HG2 GLN 18 -9.856 0.497 3.403
125 2HG GLN 18 HG3 GLN 18 -8.241 1.227 3.117
126 1HE2 GLN 18 HE22 GLN 18 -8.996 3.992 5.237
127 2HE2 GLN 18 HE21 GLN 18 -7.829 2.887 4.588
128 H ARG 19 HN ARG 19 -8.572 1.884 -1.347
129 HA ARG 19 HA ARG 19 -11.035 1.664 -2.818
130 1HB ARG 19 HB2 ARG 19 -8.411 2.924 -3.736
131 2HB ARG 19 HB3 ARG 19 -10.011 3.025 -4.567
132 1HG ARG 19 HG2 ARG 19 -10.882 3.955 -2.257
133 2HG ARG 19 HG3 ARG 19 -9.154 4.312 -1.944
134 1HD ARG 19 HD2 ARG 19 -10.932 5.270 -4.285
135 2HD ARG 19 HD3 ARG 19 -10.258 6.302 -2.951
136 HE ARG 19 HE ARG 19 -7.930 5.428 -3.951
137 1HH1 ARG 19 HH22 ARG 19 -10.807 6.408 -5.841
138 2HH1 ARG 19 HH21 ARG 19 -9.887 6.900 -7.225
139 1HH2 ARG 19 HH12 ARG 19 -6.727 6.095 -5.821
140 2HH2 ARG 19 HH11 ARG 19 -7.550 6.720 -7.212
141 H LEU 20 HN LEU 20 -7.980 -0.107 -2.929
142 HA LEU 20 HA LEU 20 -8.586 -1.458 -5.432
143 1HB LEU 20 HB2 LEU 20 -6.226 -1.119 -3.613
144 2HB LEU 20 HB3 LEU 20 -6.318 -2.714 -4.422
145 HG LEU 20 HG LEU 20 -4.902 -1.188 -5.569
146 1HD1 LEU 20 HD12 LEU 20 -6.008 -3.051 -6.780
147 2HD1 LEU 20 HD13 LEU 20 -7.368 -1.964 -7.257
148 3HD1 LEU 20 HD11 LEU 20 -5.702 -1.650 -7.872
149 1HD2 LEU 20 HD21 LEU 20 -6.040 0.998 -5.165
150 2HD2 LEU 20 HD22 LEU 20 -5.700 0.727 -6.915
151 3HD2 LEU 20 HD23 LEU 20 -7.374 0.521 -6.285
152 H HIS 21 HN HIS 21 -7.557 -2.665 -2.219
153 HA HIS 21 HA HIS 21 -8.748 -5.241 -2.793
154 1HB HIS 21 HB2 HIS 21 -6.884 -4.241 -0.581
155 2HB HIS 21 HB3 HIS 21 -7.349 -5.971 -0.805
156 HD1 HIS 21 HD1 HIS 21 -6.334 -7.209 -2.912
157 HD2 HIS 21 HD2 HIS 21 -5.067 -3.234 -2.526
158 HE1 HIS 21 HE1 HIS 21 -4.381 -6.840 -4.516
159 H ASN 22 HN ASN 22 -9.478 -2.544 -0.689
160 HA ASN 22 HA ASN 22 -10.729 -2.054 0.855
161 1HB ASN 22 HB2 ASN 22 -12.957 -2.914 1.360
162 2HB ASN 22 HB3 ASN 22 -12.642 -2.503 -0.340
163 1HD2 ASN 22 HD22 ASN 22 -13.593 -5.633 -1.618
164 2HD2 ASN 22 HD21 ASN 22 -13.144 -3.983 -1.905
165 H THR 23 HN THR 23 -8.701 -2.467 1.966
166 HA THR 23 HA THR 23 -9.138 -4.012 4.378
167 HB THR 23 HB THR 23 -8.095 -5.556 2.626
168 HG1 THR 23 HG1 THR 23 -7.995 -5.902 4.824
169 1HG2 THR 23 HG22 THR 23 -6.466 -3.867 1.629
170 2HG2 THR 23 HG23 THR 23 -5.525 -3.939 3.177
171 3HG2 THR 23 HG21 THR 23 -5.700 -5.399 2.170
172 H SER 24 HN SER 24 -6.752 -3.645 5.608
173 HA SER 24 HA SER 24 -5.901 -0.881 5.355
174 1HB SER 24 HB2 SER 24 -6.330 -0.402 7.806
175 2HB SER 24 HB3 SER 24 -7.790 -0.464 6.780
176 HG SER 24 HG SER 24 -8.028 -1.573 8.736
177 H ARG 25 HN ARG 25 -4.866 -3.612 4.799
178 HA ARG 25 HA ARG 25 -2.507 -3.535 6.567
179 1HB ARG 25 HB2 ARG 25 -3.924 -5.988 5.354
180 2HB ARG 25 HB3 ARG 25 -2.194 -5.987 5.839
181 1HG ARG 25 HG2 ARG 25 -3.269 -7.023 7.588
182 2HG ARG 25 HG3 ARG 25 -2.788 -5.398 8.170
183 1HD ARG 25 HD2 ARG 25 -4.980 -6.123 9.059
184 2HD ARG 25 HD3 ARG 25 -5.195 -4.646 8.046
185 HE ARG 25 HE ARG 25 -5.740 -6.376 6.124
186 1HH1 ARG 25 HH12 ARG 25 -6.775 -6.604 9.548
187 2HH1 ARG 25 HH11 ARG 25 -8.181 -7.552 9.194
188 1HH2 ARG 25 HH22 ARG 25 -7.600 -7.718 5.698
189 2HH2 ARG 25 HH21 ARG 25 -8.653 -8.191 6.990
190 H GLY 26 HN GLY 26 -1.048 -2.503 5.386
191 1HA GLY 26 HA1 GLY 26 0.035 -3.379 3.053
192 2HA GLY 26 HA2 GLY 26 -1.185 -2.105 2.622
193 H LYS 27 HN LYS 27 1.968 -2.344 2.881
194 HA LYS 27 HA LYS 27 2.399 0.255 4.155
195 1HB LYS 27 HB2 LYS 27 3.662 -0.585 5.832
196 2HB LYS 27 HB3 LYS 27 3.048 -2.204 5.391
197 1HG LYS 27 HG2 LYS 27 5.080 -2.471 3.850
198 2HG LYS 27 HG3 LYS 27 5.709 -0.941 4.559
199 1HD LYS 27 HD2 LYS 27 5.664 -1.961 6.826
200 2HD LYS 27 HD3 LYS 27 5.044 -3.502 6.121
201 1HE LYS 27 HE2 LYS 27 7.133 -3.719 4.734
202 2HE LYS 27 HE3 LYS 27 7.754 -2.162 5.419
203 1HZ LYS 27 HZ1 LYS 27 7.131 -4.627 6.959
204 2HZ LYS 27 HZ2 LYS 27 8.673 -4.065 6.523
205 3HZ LYS 27 HZ3 LYS 27 7.715 -3.164 7.597
206 H CYS 28 HN CYS 28 4.983 0.716 3.321
207 HA CYS 28 HA CYS 28 5.129 -0.228 0.525
208 1HB CYS 28 HB2 CYS 28 5.873 2.074 -0.189
209 2HB CYS 28 HB3 CYS 28 4.192 1.950 0.349
210 H MET 29 HN MET 29 7.334 0.367 -0.437
211 HA MET 29 HA MET 29 9.333 -0.739 1.340
212 1HB MET 29 HB2 MET 29 8.505 -1.751 -0.921
213 2HB MET 29 HB3 MET 29 9.546 -0.530 -1.688
214 1HG MET 29 HG2 MET 29 11.384 -1.495 0.013
215 2HG MET 29 HG3 MET 29 10.200 -2.828 0.252
216 1HE MET 29 HE2 MET 29 13.304 -2.818 -0.696
217 2HE MET 29 HE3 MET 29 12.356 -4.306 -0.351
218 3HE MET 29 HE1 MET 29 13.290 -4.168 -1.881
219 H ASN 30 HN ASN 30 10.949 0.642 -1.165
220 HA ASN 30 HA ASN 30 11.759 2.954 0.349
221 1HB ASN 30 HB2 ASN 30 13.459 3.246 -1.552
222 2HB ASN 30 HB3 ASN 30 13.585 1.825 -0.484
223 1HD2 ASN 30 HD22 ASN 30 13.377 -0.570 -3.040
224 2HD2 ASN 30 HD21 ASN 30 13.688 -0.184 -1.378
225 H LYS 31 HN LYS 31 9.997 2.388 -2.679
226 HA LYS 31 HA LYS 31 9.469 5.291 -2.936
227 1HB LYS 31 HB2 LYS 31 10.622 3.388 -5.042
228 2HB LYS 31 HB3 LYS 31 9.996 5.021 -5.426
229 1HG LYS 31 HG2 LYS 31 11.665 6.095 -3.996
230 2HG LYS 31 HG3 LYS 31 12.391 4.495 -3.598
231 1HD LYS 31 HD2 LYS 31 12.880 4.060 -5.954
232 2HD LYS 31 HD3 LYS 31 12.083 5.601 -6.443
233 1HE LYS 31 HE2 LYS 31 13.802 6.910 -5.120
234 2HE LYS 31 HE3 LYS 31 14.641 5.358 -4.709
235 1HZ LYS 31 HZ2 LYS 31 14.176 6.439 -7.442
236 2HZ LYS 31 HZ3 LYS 31 15.636 6.476 -6.578
237 3HZ LYS 31 HZ1 LYS 31 14.973 4.988 -7.061
238 H LYS 32 HN LYS 32 7.849 2.188 -2.849
239 HA LYS 32 HA LYS 32 5.762 3.261 -4.592
240 1HB LYS 32 HB2 LYS 32 5.559 1.449 -5.993
241 2HB LYS 32 HB3 LYS 32 7.266 1.978 -6.101
242 1HG LYS 32 HG2 LYS 32 7.859 0.125 -4.408
243 2HG LYS 32 HG3 LYS 32 6.181 -0.506 -4.641
244 1HD LYS 32 HD2 LYS 32 6.609 -0.589 -7.114
245 2HD LYS 32 HD3 LYS 32 8.326 -0.161 -6.796
246 1HE LYS 32 HE2 LYS 32 6.834 -2.683 -5.750
247 2HE LYS 32 HE3 LYS 32 8.080 -2.654 -7.063
248 1HZ LYS 32 HZ2 LYS 32 8.505 -1.898 -4.219
249 2HZ LYS 32 HZ3 LYS 32 8.980 -3.351 -4.961
250 3HZ LYS 32 HZ1 LYS 32 9.680 -1.880 -5.445
251 1HN ABA 33 HN ABA 33 3.693 2.278 -4.241
252 HA ABA 33 HA ABA 33 3.278 1.493 -1.526
253 1HB ABA 33 HB3 ABA 33 1.452 2.068 -3.911
254 2HB ABA 33 HB2 ABA 33 2.006 3.219 -2.659
255 1HG ABA 33 HG1 ABA 33 -0.158 2.640 -1.930
256 2HG ABA 33 HG2 ABA 33 0.076 0.870 -2.222
257 3HG ABA 33 HG3 ABA 33 0.999 1.683 -0.920
258 H ARG 34 HN ARG 34 2.383 -0.441 -0.802
259 HA ARG 34 HA ARG 34 2.098 -2.684 -2.668
260 1HB ARG 34 HB2 ARG 34 4.439 -2.576 -1.624
261 2HB ARG 34 HB3 ARG 34 3.692 -2.814 -0.021
262 1HG ARG 34 HG2 ARG 34 2.832 -5.028 -0.717
263 2HG ARG 34 HG3 ARG 34 3.379 -4.735 -2.400
264 1HD ARG 34 HD2 ARG 34 5.221 -4.911 0.080
265 2HD ARG 34 HD3 ARG 34 4.879 -6.289 -1.065
266 HE ARG 34 HE ARG 34 5.832 -3.904 -2.481
267 1HH1 ARG 34 HH12 ARG 34 6.954 -6.622 -0.448
268 2HH1 ARG 34 HH11 ARG 34 8.577 -6.580 -1.051
269 1HH2 ARG 34 HH22 ARG 34 8.025 -3.862 -3.275
270 2HH2 ARG 34 HH21 ARG 34 9.192 -4.991 -2.673
271 H CYS 35 HN CYS 35 0.980 -4.528 -1.269
272 HA CYS 35 HA CYS 35 -0.703 -3.521 0.822
273 1HB CYS 35 HB2 CYS 35 -1.817 -3.206 -1.584
274 2HB CYS 35 HB3 CYS 35 -2.131 -4.955 -1.481
275 H TYR 36 HN TYR 36 -1.563 -5.328 1.998
276 HA TYR 36 HA TYR 36 0.084 -7.771 1.761
277 1HB TYR 36 HB2 TYR 36 0.160 -5.505 3.809
278 2HB TYR 36 HB3 TYR 36 0.499 -7.179 4.411
279 HD1 TYR 36 HD1 TYR 36 2.120 -8.528 2.661
280 HD2 TYR 36 HD2 TYR 36 2.093 -4.299 3.394
281 HE1 TYR 36 HE1 TYR 36 4.534 -8.412 2.109
282 HE2 TYR 36 HE2 TYR 36 4.484 -4.165 2.799
283 HH TYR 36 HH TYR 36 6.345 -5.315 2.254
284 H SER 37 HN SER 37 -2.310 -8.060 0.997
285 HA SER 37 HA SER 37 -3.481 -9.674 3.039
286 1HB SER 37 HB2 SER 37 -4.618 -7.415 3.523
287 2HB SER 37 HB3 SER 37 -5.230 -7.435 1.830
288 HG SER 37 HG SER 37 -5.697 -9.374 3.858
No H/Q in entry = 288
Start of MODEL 17
1 HA PCA 1 HA PGL 1 -3.441 -8.442 -5.660
2 1HB PCA 1 HB2 PGL 1 -4.472 -5.650 -6.478
3 2HB PCA 1 HB3 PGL 1 -3.895 -6.975 -7.558
4 1HG PCA 1 HG2 PGL 1 -6.594 -6.524 -7.042
5 2HG PCA 1 HG3 PGL 1 -5.950 -8.221 -7.202
6 HN PCA 1 HN PGL 1 -4.786 -7.793 -3.532
7 H PHE 2 HN PHE 2 -1.705 -6.573 -6.561
8 HA PHE 2 HA PHE 2 -0.626 -5.102 -4.252
9 1HB PHE 2 HB2 PHE 2 0.886 -6.388 -6.628
10 2HB PHE 2 HB3 PHE 2 1.629 -5.384 -5.321
11 HD1 PHE 2 HD2 PHE 2 0.515 -6.368 -2.823
12 HD2 PHE 2 HD1 PHE 2 1.578 -8.570 -6.366
13 HE1 PHE 2 HE2 PHE 2 0.798 -8.418 -1.476
14 HE2 PHE 2 HE1 PHE 2 1.889 -10.605 -5.001
15 HZ PHE 2 HZ PHE 2 1.487 -10.534 -2.554
16 H THR 3 HN THR 3 0.428 -3.079 -4.891
17 HA THR 3 HA THR 3 -1.041 -1.736 -7.061
18 HB THR 3 HB THR 3 -0.660 0.287 -5.440
19 HG1 THR 3 HG1 THR 3 0.135 -0.176 -3.607
20 1HG2 THR 3 HG22 THR 3 -2.597 -2.008 -4.693
21 2HG2 THR 3 HG23 THR 3 -2.679 -0.313 -4.098
22 3HG2 THR 3 HG21 THR 3 -2.895 -0.658 -5.855
23 H ASN 4 HN ASN 4 0.189 0.330 -7.759
24 HA ASN 4 HA ASN 4 3.074 0.152 -7.625
25 1HB ASN 4 HB2 ASN 4 3.206 0.304 -10.201
26 2HB ASN 4 HB3 ASN 4 2.873 -1.294 -9.491
27 1HD2 ASN 4 HD22 ASN 4 -0.145 -1.816 -11.227
28 2HD2 ASN 4 HD21 ASN 4 1.114 -2.438 -10.214
29 H VAL 5 HN VAL 5 1.648 1.883 -6.246
30 HA VAL 5 HA VAL 5 1.693 4.436 -7.694
31 HB VAL 5 HB VAL 5 1.016 4.202 -4.742
32 1HG1 VAL 5 HG12 VAL 5 0.014 5.897 -7.148
33 2HG1 VAL 5 HG13 VAL 5 -0.624 6.002 -5.467
34 3HG1 VAL 5 HG11 VAL 5 1.073 6.479 -5.813
35 1HG2 VAL 5 HG23 VAL 5 -0.788 3.287 -7.054
36 2HG2 VAL 5 HG21 VAL 5 -0.228 2.342 -5.605
37 3HG2 VAL 5 HG22 VAL 5 -1.354 3.725 -5.400
38 H SER 6 HN SER 6 2.696 6.165 -5.778
39 HA SER 6 HA SER 6 5.395 5.169 -5.110
40 1HB SER 6 HB2 SER 6 6.081 7.622 -5.070
41 2HB SER 6 HB3 SER 6 5.745 6.871 -6.657
42 HG SER 6 HG SER 6 4.821 8.916 -6.443
43 H CYS 7 HN CYS 7 5.982 5.063 -3.099
44 HA CYS 7 HA CYS 7 4.451 6.538 -0.996
45 1HB CYS 7 HB2 CYS 7 3.317 4.555 -1.009
46 2HB CYS 7 HB3 CYS 7 4.757 3.548 -1.058
47 H THR 8 HN THR 8 5.604 6.985 0.837
48 HA THR 8 HA THR 8 8.458 6.299 0.995
49 HB THR 8 HB THR 8 8.911 8.611 1.959
50 HG1 THR 8 HG1 THR 8 6.700 9.215 2.124
51 1HG2 THR 8 HG21 THR 8 9.692 7.827 -0.287
52 2HG2 THR 8 HG22 THR 8 8.171 8.437 -1.038
53 3HG2 THR 8 HG23 THR 8 9.319 9.590 -0.267
54 H THR 9 HN THR 9 5.520 7.603 2.629
55 HA THR 9 HA THR 9 6.407 6.549 5.220
56 HB THR 9 HB THR 9 4.462 8.010 6.077
57 HG1 THR 9 HG1 THR 9 4.804 9.063 3.457
58 1HG2 THR 9 HG22 THR 9 6.890 8.547 6.293
59 2HG2 THR 9 HG23 THR 9 6.861 9.347 4.673
60 3HG2 THR 9 HG21 THR 9 5.878 10.017 6.032
61 H SER 10 HN SER 10 5.445 4.829 6.124
62 HA SER 10 HA SER 10 3.359 3.409 4.725
63 1HB SER 10 HB2 SER 10 3.879 1.583 6.418
64 2HB SER 10 HB3 SER 10 5.228 2.087 5.351
65 HG SER 10 HG SER 10 4.816 2.978 8.005
66 H LYS 11 HN LYS 11 1.775 5.069 5.090
67 HA LYS 11 HA LYS 11 -0.114 4.461 6.934
68 1HB LYS 11 HB2 LYS 11 1.764 6.279 8.178
69 2HB LYS 11 HB3 LYS 11 0.270 7.207 7.908
70 1HG LYS 11 HG2 LYS 11 0.462 4.489 9.343
71 2HG LYS 11 HG3 LYS 11 0.324 6.099 10.124
72 1HD LYS 11 HD2 LYS 11 -1.934 6.425 9.112
73 2HD LYS 11 HD3 LYS 11 -1.797 4.857 8.249
74 1HE LYS 11 HE2 LYS 11 -3.215 4.568 10.234
75 2HE LYS 11 HE3 LYS 11 -1.681 3.630 10.440
76 1HZ LYS 11 HZ3 LYS 11 -0.840 5.440 11.791
77 2HZ LYS 11 HZ1 LYS 11 -2.296 6.296 11.606
78 3HZ LYS 11 HZ2 LYS 11 -2.284 4.806 12.422
79 H GLU 12 HN GLU 12 1.394 6.808 4.702
80 HA GLU 12 HA GLU 12 -0.688 8.307 3.914
81 1HB GLU 12 HB2 GLU 12 1.907 8.219 3.531
82 2HB GLU 12 HB3 GLU 12 1.559 7.394 2.013
83 1HG GLU 12 HG2 GLU 12 0.440 10.155 2.901
84 2HG GLU 12 HG3 GLU 12 1.924 9.921 1.909
85 1HN ABA 13 HN ABA 13 0.237 5.094 2.651
86 HA ABA 13 HA ABA 13 -1.731 5.196 0.467
87 1HB ABA 13 HB3 ABA 13 0.578 5.015 -0.204
88 2HB ABA 13 HB2 ABA 13 -0.309 3.530 -0.592
89 1HG ABA 13 HG1 ABA 13 0.800 2.385 1.401
90 2HG ABA 13 HG2 ABA 13 1.991 3.147 0.262
91 3HG ABA 13 HG3 ABA 13 1.596 3.961 1.818
92 H TRP 14 HN TRP 14 -2.514 4.601 3.243
93 HA TRP 14 HA TRP 14 -3.253 1.802 3.255
94 1HB TRP 14 HB2 TRP 14 -3.603 4.123 5.236
95 2HB TRP 14 HB3 TRP 14 -4.384 2.524 5.499
96 HD1 TRP 14 HD1 TRP 14 -0.617 3.054 4.349
97 HE1 TRP 14 HE1 TRP 14 0.722 1.465 5.764
98 HE3 TRP 14 HE3 TRP 14 -4.273 1.677 7.662
99 HZ2 TRP 14 HZ2 TRP 14 0.385 -0.101 8.112
100 HZ3 TRP 14 HZ3 TRP 14 -3.708 0.030 9.416
101 HH2 TRP 14 HH2 TRP 14 -1.420 -0.902 9.581
102 H SER 15 HN SER 15 -4.669 4.785 2.045
103 HA SER 15 HA SER 15 -7.370 3.794 2.012
104 1HB SER 15 HB2 SER 15 -7.848 6.053 0.962
105 2HB SER 15 HB3 SER 15 -7.154 6.102 2.614
106 HG SER 15 HG SER 15 -5.117 6.455 1.658
107 H VAL 16 HN VAL 16 -4.570 3.238 0.306
108 HA VAL 16 HA VAL 16 -5.749 3.070 -2.386
109 HB VAL 16 HB VAL 16 -2.886 2.519 -1.435
110 1HG1 VAL 16 HG12 VAL 16 -3.610 1.435 -3.670
111 2HG1 VAL 16 HG13 VAL 16 -3.982 3.095 -4.274
112 3HG1 VAL 16 HG11 VAL 16 -2.294 2.644 -3.804
113 1HG2 VAL 16 HG22 VAL 16 -4.168 5.058 -2.649
114 2HG2 VAL 16 HG23 VAL 16 -3.489 4.897 -0.986
115 3HG2 VAL 16 HG21 VAL 16 -2.403 4.796 -2.415
116 H CYS 17 HN CYS 17 -4.477 0.974 0.269
117 HA CYS 17 HA CYS 17 -5.090 -1.515 -0.939
118 1HB CYS 17 HB2 CYS 17 -4.720 -0.487 1.941
119 2HB CYS 17 HB3 CYS 17 -5.107 -2.200 1.651
120 H GLN 18 HN GLN 18 -7.163 0.910 0.559
121 HA GLN 18 HA GLN 18 -9.240 -0.850 1.368
122 1HB GLN 18 HB2 GLN 18 -8.340 1.160 2.559
123 2HB GLN 18 HB3 GLN 18 -9.021 2.228 1.314
124 1HG GLN 18 HG2 GLN 18 -10.685 0.143 2.836
125 2HG GLN 18 HG3 GLN 18 -10.266 1.735 3.595
126 1HE2 GLN 18 HE22 GLN 18 -12.284 3.707 1.243
127 2HE2 GLN 18 HE21 GLN 18 -10.700 3.701 1.942
128 H ARG 19 HN ARG 19 -8.753 1.681 -1.076
129 HA ARG 19 HA ARG 19 -11.361 1.434 -2.205
130 1HB ARG 19 HB2 ARG 19 -11.136 3.485 -2.915
131 2HB ARG 19 HB3 ARG 19 -9.625 3.497 -1.967
132 1HG ARG 19 HG2 ARG 19 -9.097 4.537 -3.899
133 2HG ARG 19 HG3 ARG 19 -8.389 2.921 -4.183
134 1HD ARG 19 HD2 ARG 19 -9.943 2.447 -5.938
135 2HD ARG 19 HD3 ARG 19 -11.259 3.427 -5.149
136 HE ARG 19 HE ARG 19 -9.345 5.318 -5.832
137 1HH1 ARG 19 HH12 ARG 19 -11.315 2.906 -7.589
138 2HH1 ARG 19 HH11 ARG 19 -11.516 3.890 -9.001
139 1HH2 ARG 19 HH22 ARG 19 -9.597 6.620 -7.780
140 2HH2 ARG 19 HH21 ARG 19 -10.531 6.018 -9.109
141 H LEU 20 HN LEU 20 -8.272 -0.059 -2.993
142 HA LEU 20 HA LEU 20 -9.006 -0.895 -5.669
143 1HB LEU 20 HB2 LEU 20 -6.622 -1.158 -3.831
144 2HB LEU 20 HB3 LEU 20 -6.756 -2.375 -5.130
145 HG LEU 20 HG LEU 20 -5.294 -0.484 -5.566
146 1HD1 LEU 20 HD13 LEU 20 -6.183 -2.022 -7.336
147 2HD1 LEU 20 HD11 LEU 20 -7.536 -0.870 -7.655
148 3HD1 LEU 20 HD12 LEU 20 -5.832 -0.375 -7.980
149 1HD2 LEU 20 HD22 LEU 20 -6.666 1.459 -4.754
150 2HD2 LEU 20 HD23 LEU 20 -6.111 1.672 -6.452
151 3HD2 LEU 20 HD21 LEU 20 -7.819 1.208 -6.117
152 H HIS 21 HN HIS 21 -8.070 -2.612 -2.601
153 HA HIS 21 HA HIS 21 -10.002 -4.743 -3.234
154 1HB HIS 21 HB2 HIS 21 -8.737 -5.933 -1.229
155 2HB HIS 21 HB3 HIS 21 -8.218 -5.994 -2.927
156 HD1 HIS 21 HD1 HIS 21 -6.597 -6.419 -0.219
157 HD2 HIS 21 HD2 HIS 21 -6.072 -3.532 -3.224
158 HE1 HIS 21 HE1 HIS 21 -4.121 -5.883 -0.413
159 H ASN 22 HN ASN 22 -9.133 -4.470 0.030
160 HA ASN 22 HA ASN 22 -11.089 -2.789 1.056
161 1HB ASN 22 HB2 ASN 22 -12.922 -4.372 1.780
162 2HB ASN 22 HB3 ASN 22 -12.905 -4.046 0.038
163 1HD2 ASN 22 HD22 ASN 22 -12.854 -7.882 1.316
164 2HD2 ASN 22 HD21 ASN 22 -13.161 -6.516 2.336
165 H THR 23 HN THR 23 -8.689 -2.900 1.926
166 HA THR 23 HA THR 23 -8.855 -4.276 4.461
167 HB THR 23 HB THR 23 -7.754 -5.887 2.818
168 HG1 THR 23 HG1 THR 23 -7.528 -6.035 5.012
169 1HG2 THR 23 HG21 THR 23 -6.343 -4.152 1.591
170 2HG2 THR 23 HG22 THR 23 -5.331 -4.003 3.102
171 3HG2 THR 23 HG23 THR 23 -5.416 -5.559 2.220
172 H SER 24 HN SER 24 -6.586 -3.573 5.598
173 HA SER 24 HA SER 24 -6.117 -0.709 5.067
174 1HB SER 24 HB2 SER 24 -6.603 -1.997 7.829
175 2HB SER 24 HB3 SER 24 -6.061 -0.296 7.542
176 HG SER 24 HG SER 24 -8.286 -0.535 7.893
177 H ARG 25 HN ARG 25 -4.927 -3.942 5.530
178 HA ARG 25 HA ARG 25 -2.419 -3.152 6.774
179 1HB ARG 25 HB2 ARG 25 -3.645 -5.896 6.085
180 2HB ARG 25 HB3 ARG 25 -1.995 -5.658 6.759
181 1HG ARG 25 HG2 ARG 25 -3.382 -6.314 8.543
182 2HG ARG 25 HG3 ARG 25 -2.909 -4.604 8.795
183 1HD ARG 25 HD2 ARG 25 -5.276 -5.048 9.473
184 2HD ARG 25 HD3 ARG 25 -5.201 -3.846 8.146
185 HE ARG 25 HE ARG 25 -5.910 -5.509 6.520
186 1HH1 ARG 25 HH22 ARG 25 -6.048 -6.712 9.902
187 2HH1 ARG 25 HH21 ARG 25 -7.086 -8.046 9.519
188 1HH2 ARG 25 HH12 ARG 25 -7.329 -7.299 6.057
189 2HH2 ARG 25 HH11 ARG 25 -7.819 -8.383 7.317
190 H GLY 26 HN GLY 26 -0.859 -2.528 5.551
191 1HA GLY 26 HA1 GLY 26 0.293 -3.526 3.337
192 2HA GLY 26 HA2 GLY 26 -1.104 -2.555 2.721
193 H LYS 27 HN LYS 27 1.991 -2.204 2.812
194 HA LYS 27 HA LYS 27 2.156 0.431 4.100
195 1HB LYS 27 HB2 LYS 27 4.237 -1.849 4.295
196 2HB LYS 27 HB3 LYS 27 4.375 -0.207 5.014
197 1HG LYS 27 HG2 LYS 27 2.424 -0.743 6.512
198 2HG LYS 27 HG3 LYS 27 2.346 -2.387 5.773
199 1HD LYS 27 HD2 LYS 27 4.695 -2.835 6.508
200 2HD LYS 27 HD3 LYS 27 4.719 -1.240 7.353
201 1HE LYS 27 HE2 LYS 27 2.793 -1.995 8.807
202 2HE LYS 27 HE3 LYS 27 2.768 -3.586 7.937
203 1HZ LYS 27 HZ3 LYS 27 5.054 -2.487 9.492
204 2HZ LYS 27 HZ1 LYS 27 3.966 -3.691 10.006
205 3HZ LYS 27 HZ2 LYS 27 5.004 -3.988 8.692
206 H CYS 28 HN CYS 28 5.153 -0.003 3.262
207 HA CYS 28 HA CYS 28 5.055 -0.404 0.445
208 1HB CYS 28 HB2 CYS 28 5.990 1.900 -0.166
209 2HB CYS 28 HB3 CYS 28 4.282 1.827 0.319
210 H MET 29 HN MET 29 7.339 0.126 -0.489
211 HA MET 29 HA MET 29 9.309 -1.133 1.210
212 1HB MET 29 HB2 MET 29 8.566 -1.978 -1.085
213 2HB MET 29 HB3 MET 29 9.394 -0.578 -1.804
214 1HG MET 29 HG2 MET 29 11.543 -1.432 -0.630
215 2HG MET 29 HG3 MET 29 10.583 -2.833 -0.054
216 1HE MET 29 HE1 MET 29 12.359 -4.382 -0.967
217 2HE MET 29 HE2 MET 29 12.981 -4.408 -2.654
218 3HE MET 29 HE3 MET 29 13.317 -2.995 -1.592
219 H ASN 30 HN ASN 30 10.990 0.444 -1.076
220 HA ASN 30 HA ASN 30 11.704 2.701 0.540
221 1HB ASN 30 HB2 ASN 30 13.543 3.077 -1.037
222 2HB ASN 30 HB3 ASN 30 13.511 1.434 -0.345
223 1HD2 ASN 30 HD22 ASN 30 14.330 1.371 -4.061
224 2HD2 ASN 30 HD21 ASN 30 14.891 2.351 -2.742
225 H LYS 31 HN LYS 31 10.058 2.205 -2.564
226 HA LYS 31 HA LYS 31 9.606 5.112 -2.838
227 1HB LYS 31 HB2 LYS 31 10.784 3.174 -4.902
228 2HB LYS 31 HB3 LYS 31 10.243 4.849 -5.283
229 1HG LYS 31 HG2 LYS 31 11.923 5.825 -3.800
230 2HG LYS 31 HG3 LYS 31 12.495 4.193 -3.312
231 1HD LYS 31 HD2 LYS 31 13.116 3.665 -5.644
232 2HD LYS 31 HD3 LYS 31 12.624 5.324 -6.164
233 1HE LYS 31 HE2 LYS 31 14.362 6.327 -4.640
234 2HE LYS 31 HE3 LYS 31 14.829 4.669 -4.082
235 1HZ LYS 31 HZ1 LYS 31 15.454 4.135 -6.335
236 2HZ LYS 31 HZ2 LYS 31 15.024 5.693 -6.862
237 3HZ LYS 31 HZ3 LYS 31 16.303 5.484 -5.757
238 H LYS 32 HN LYS 32 7.916 2.049 -2.788
239 HA LYS 32 HA LYS 32 5.909 3.171 -4.588
240 1HB LYS 32 HB2 LYS 32 5.692 1.369 -5.981
241 2HB LYS 32 HB3 LYS 32 7.406 1.850 -6.061
242 1HG LYS 32 HG2 LYS 32 7.979 -0.027 -4.412
243 2HG LYS 32 HG3 LYS 32 6.269 -0.603 -4.561
244 1HD LYS 32 HD2 LYS 32 6.548 -0.793 -7.012
245 2HD LYS 32 HD3 LYS 32 8.274 -0.302 -6.840
246 1HE LYS 32 HE2 LYS 32 8.696 -2.336 -5.372
247 2HE LYS 32 HE3 LYS 32 6.959 -2.816 -5.551
248 1HZ LYS 32 HZ2 LYS 32 7.329 -3.021 -7.926
249 2HZ LYS 32 HZ3 LYS 32 8.964 -2.597 -7.737
250 3HZ LYS 32 HZ1 LYS 32 8.368 -4.025 -7.035
251 1HN ABA 33 HN ABA 33 3.785 2.230 -4.310
252 HA ABA 33 HA ABA 33 3.235 1.432 -1.631
253 1HB ABA 33 HB3 ABA 33 1.459 1.869 -4.072
254 2HB ABA 33 HB2 ABA 33 1.938 3.077 -2.831
255 1HG ABA 33 HG1 ABA 33 0.898 1.707 -1.044
256 2HG ABA 33 HG2 ABA 33 -0.288 2.308 -2.278
257 3HG ABA 33 HG3 ABA 33 0.209 0.581 -2.232
258 H ARG 34 HN ARG 34 2.594 -0.578 -0.939
259 HA ARG 34 HA ARG 34 2.048 -2.763 -2.802
260 1HB ARG 34 HB2 ARG 34 4.346 -2.640 -0.842
261 2HB ARG 34 HB3 ARG 34 3.376 -4.147 -0.786
262 1HG ARG 34 HG2 ARG 34 3.595 -4.448 -3.220
263 2HG ARG 34 HG3 ARG 34 4.724 -3.052 -3.311
264 1HD ARG 34 HD2 ARG 34 6.399 -4.193 -1.939
265 2HD ARG 34 HD3 ARG 34 5.229 -5.475 -1.442
266 HE ARG 34 HE ARG 34 6.645 -5.208 -4.069
267 1HH1 ARG 34 HH22 ARG 34 4.085 -6.916 -2.229
268 2HH1 ARG 34 HH21 ARG 34 3.986 -8.236 -3.347
269 1HH2 ARG 34 HH12 ARG 34 6.492 -6.996 -5.544
270 2HH2 ARG 34 HH11 ARG 34 5.372 -8.283 -5.250
271 H CYS 35 HN CYS 35 1.250 -4.647 -1.115
272 HA CYS 35 HA CYS 35 -0.238 -3.541 1.009
273 1HB CYS 35 HB2 CYS 35 -1.702 -3.313 -1.212
274 2HB CYS 35 HB3 CYS 35 -1.968 -5.055 -1.021
275 H TYR 36 HN TYR 36 -0.998 -5.285 2.368
276 HA TYR 36 HA TYR 36 0.658 -7.712 2.136
277 1HB TYR 36 HB2 TYR 36 0.773 -5.376 4.108
278 2HB TYR 36 HB3 TYR 36 1.409 -6.986 4.621
279 HD1 TYR 36 HD2 TYR 36 2.871 -7.958 2.256
280 HD2 TYR 36 HD1 TYR 36 2.538 -3.976 3.836
281 HE1 TYR 36 HE2 TYR 36 5.019 -7.350 1.189
282 HE2 TYR 36 HE1 TYR 36 4.671 -3.363 2.760
283 HH TYR 36 HH TYR 36 6.548 -5.742 0.838
284 H SER 37 HN SER 37 -1.786 -8.086 1.629
285 HA SER 37 HA SER 37 -3.111 -8.951 4.131
286 1HB SER 37 HB2 SER 37 -5.260 -8.884 2.807
287 2HB SER 37 HB3 SER 37 -4.530 -7.279 3.158
288 HG SER 37 HG SER 37 -3.658 -7.290 1.074
No H/Q in entry = 288
Start of MODEL 18
1 HA PCA 1 HA PGL 1 -3.264 -8.621 -4.594
2 1HB PCA 1 HB2 PGL 1 -3.767 -6.260 -6.511
3 2HB PCA 1 HB3 PGL 1 -3.381 -7.976 -6.914
4 1HG PCA 1 HG2 PGL 1 -5.965 -6.872 -6.965
5 2HG PCA 1 HG3 PGL 1 -5.669 -8.624 -6.551
6 HN PCA 1 HN PGL 1 -4.759 -7.222 -3.032
7 H PHE 2 HN PHE 2 -1.436 -6.798 -6.011
8 HA PHE 2 HA PHE 2 -0.337 -5.136 -3.837
9 1HB PHE 2 HB2 PHE 2 1.090 -6.382 -6.288
10 2HB PHE 2 HB3 PHE 2 1.862 -5.399 -4.981
11 HD1 PHE 2 HD1 PHE 2 0.984 -6.415 -2.482
12 HD2 PHE 2 HD2 PHE 2 1.655 -8.606 -6.121
13 HE1 PHE 2 HE1 PHE 2 1.348 -8.486 -1.176
14 HE2 PHE 2 HE2 PHE 2 2.027 -10.666 -4.808
15 HZ PHE 2 HZ PHE 2 1.864 -10.612 -2.334
16 H THR 3 HN THR 3 0.350 -2.999 -4.456
17 HA THR 3 HA THR 3 -1.168 -1.934 -6.718
18 HB THR 3 HB THR 3 -1.639 -0.051 -5.595
19 HG1 THR 3 HG1 THR 3 -0.476 0.607 -3.690
20 1HG2 THR 3 HG22 THR 3 -2.577 -2.039 -4.276
21 2HG2 THR 3 HG23 THR 3 -1.125 -1.969 -3.210
22 3HG2 THR 3 HG21 THR 3 -2.272 -0.603 -3.252
23 H ASN 4 HN ASN 4 -0.013 0.272 -7.544
24 HA ASN 4 HA ASN 4 2.868 0.069 -7.692
25 1HB ASN 4 HB2 ASN 4 2.772 0.214 -10.260
26 2HB ASN 4 HB3 ASN 4 2.457 -1.385 -9.541
27 1HD2 ASN 4 HD22 ASN 4 -0.785 -1.778 -10.885
28 2HD2 ASN 4 HD21 ASN 4 0.488 -2.422 -9.904
29 H VAL 5 HN VAL 5 1.339 1.815 -6.220
30 HA VAL 5 HA VAL 5 1.330 4.346 -7.710
31 HB VAL 5 HB VAL 5 0.720 4.147 -4.740
32 1HG1 VAL 5 HG11 VAL 5 -0.374 5.802 -7.125
33 2HG1 VAL 5 HG12 VAL 5 -0.939 5.917 -5.417
34 3HG1 VAL 5 HG13 VAL 5 0.730 6.415 -5.836
35 1HG2 VAL 5 HG21 VAL 5 -1.070 3.181 -7.051
36 2HG2 VAL 5 HG22 VAL 5 -0.501 2.264 -5.589
37 3HG2 VAL 5 HG23 VAL 5 -1.655 3.631 -5.408
38 H SER 6 HN SER 6 2.327 6.151 -5.853
39 HA SER 6 HA SER 6 5.107 5.282 -5.342
40 1HB SER 6 HB2 SER 6 5.650 7.774 -5.305
41 2HB SER 6 HB3 SER 6 5.253 7.030 -6.878
42 HG SER 6 HG SER 6 4.222 9.013 -6.560
43 H CYS 7 HN CYS 7 5.880 5.274 -3.335
44 HA CYS 7 HA CYS 7 4.242 6.527 -1.151
45 1HB CYS 7 HB2 CYS 7 3.441 4.377 -1.218
46 2HB CYS 7 HB3 CYS 7 5.034 3.628 -1.201
47 H THR 8 HN THR 8 5.376 7.099 0.640
48 HA THR 8 HA THR 8 8.286 6.795 0.769
49 HB THR 8 HB THR 8 8.431 9.126 1.807
50 HG1 THR 8 HG1 THR 8 5.975 9.388 0.399
51 1HG2 THR 8 HG22 THR 8 9.324 8.511 -0.457
52 2HG2 THR 8 HG23 THR 8 7.736 8.936 -1.198
53 3HG2 THR 8 HG21 THR 8 8.720 10.207 -0.387
54 H THR 9 HN THR 9 5.194 7.641 2.436
55 HA THR 9 HA THR 9 6.287 6.762 5.014
56 HB THR 9 HB THR 9 4.277 8.029 5.944
57 HG1 THR 9 HG1 THR 9 3.088 8.137 4.021
58 1HG2 THR 9 HG21 THR 9 6.608 8.919 5.918
59 2HG2 THR 9 HG22 THR 9 6.344 9.603 4.268
60 3HG2 THR 9 HG23 THR 9 5.380 10.219 5.660
61 H SER 10 HN SER 10 5.374 5.108 6.184
62 HA SER 10 HA SER 10 3.213 3.551 4.999
63 1HB SER 10 HB2 SER 10 3.696 1.870 6.785
64 2HB SER 10 HB3 SER 10 5.045 2.201 5.650
65 HG SER 10 HG SER 10 5.942 3.571 7.202
66 H LYS 11 HN LYS 11 1.616 4.997 5.157
67 HA LYS 11 HA LYS 11 -0.138 4.838 7.252
68 1HB LYS 11 HB2 LYS 11 1.378 6.594 8.374
69 2HB LYS 11 HB3 LYS 11 0.958 7.721 7.054
70 1HG LYS 11 HG2 LYS 11 -1.495 7.503 7.740
71 2HG LYS 11 HG3 LYS 11 -0.993 6.314 8.996
72 1HD LYS 11 HD2 LYS 11 0.457 8.150 10.026
73 2HD LYS 11 HD3 LYS 11 -0.287 9.307 8.860
74 1HE LYS 11 HE2 LYS 11 -2.576 8.756 9.816
75 2HE LYS 11 HE3 LYS 11 -1.794 7.613 10.983
76 1HZ LYS 11 HZ3 LYS 11 -0.517 9.504 11.827
77 2HZ LYS 11 HZ1 LYS 11 -1.378 10.548 10.799
78 3HZ LYS 11 HZ2 LYS 11 -2.195 9.689 12.017
79 H GLU 12 HN GLU 12 1.186 6.629 4.451
80 HA GLU 12 HA GLU 12 -0.971 7.573 3.168
81 1HB GLU 12 HB2 GLU 12 1.643 7.648 2.959
82 2HB GLU 12 HB3 GLU 12 1.505 6.366 1.765
83 1HG GLU 12 HG2 GLU 12 0.015 9.087 1.617
84 2HG GLU 12 HG3 GLU 12 1.656 8.804 0.935
85 1HN ABA 13 HN ABA 13 0.097 4.245 3.293
86 HA ABA 13 HA ABA 13 -1.002 3.443 0.751
87 1HB ABA 13 HB3 ABA 13 0.212 1.382 1.089
88 2HB ABA 13 HB2 ABA 13 0.436 1.726 2.850
89 1HG ABA 13 HG1 ABA 13 2.465 2.126 1.500
90 2HG ABA 13 HG2 ABA 13 1.640 3.428 0.561
91 3HG ABA 13 HG3 ABA 13 1.921 3.628 2.332
92 H TRP 14 HN TRP 14 -2.412 3.722 3.744
93 HA TRP 14 HA TRP 14 -4.053 1.364 3.853
94 1HB TRP 14 HB2 TRP 14 -3.704 3.950 5.418
95 2HB TRP 14 HB3 TRP 14 -5.228 3.012 5.642
96 HD1 TRP 14 HD1 TRP 14 -5.278 1.038 7.113
97 HE1 TRP 14 HE1 TRP 14 -3.599 -0.493 8.230
98 HE3 TRP 14 HE3 TRP 14 -0.986 3.065 5.248
99 HZ2 TRP 14 HZ2 TRP 14 -0.758 -0.605 8.636
100 HZ3 TRP 14 HZ3 TRP 14 1.176 2.129 5.958
101 HH2 TRP 14 HH2 TRP 14 1.306 0.371 7.673
102 H SER 15 HN SER 15 -4.334 4.659 2.414
103 HA SER 15 HA SER 15 -7.104 4.227 1.664
104 1HB SER 15 HB2 SER 15 -6.929 6.575 0.760
105 2HB SER 15 HB3 SER 15 -6.591 6.425 2.513
106 HG SER 15 HG SER 15 -4.370 6.416 2.005
107 H VAL 16 HN VAL 16 -4.219 3.016 0.532
108 HA VAL 16 HA VAL 16 -5.124 3.060 -2.275
109 HB VAL 16 HB VAL 16 -2.455 2.069 -1.176
110 1HG1 VAL 16 HG12 VAL 16 -3.165 1.195 -3.474
111 2HG1 VAL 16 HG13 VAL 16 -3.417 2.892 -4.009
112 3HG1 VAL 16 HG11 VAL 16 -1.769 2.315 -3.552
113 1HG2 VAL 16 HG23 VAL 16 -3.277 4.841 -2.272
114 2HG2 VAL 16 HG21 VAL 16 -2.637 4.472 -0.625
115 3HG2 VAL 16 HG22 VAL 16 -1.580 4.280 -2.062
116 H CYS 17 HN CYS 17 -4.791 0.895 0.614
117 HA CYS 17 HA CYS 17 -5.292 -1.500 -0.934
118 1HB CYS 17 HB2 CYS 17 -5.066 -0.848 2.066
119 2HB CYS 17 HB3 CYS 17 -5.392 -2.498 1.451
120 H GLN 18 HN GLN 18 -7.235 0.998 0.583
121 HA GLN 18 HA GLN 18 -9.618 -0.640 0.782
122 1HB GLN 18 HB2 GLN 18 -9.150 2.332 1.310
123 2HB GLN 18 HB3 GLN 18 -10.721 1.463 1.566
124 1HG GLN 18 HG2 GLN 18 -9.719 -0.031 3.214
125 2HG GLN 18 HG3 GLN 18 -8.091 0.681 2.912
126 1HE2 GLN 18 HE22 GLN 18 -9.045 2.456 5.947
127 2HE2 GLN 18 HE21 GLN 18 -8.366 0.960 5.400
128 H ARG 19 HN ARG 19 -8.125 1.701 -1.391
129 HA ARG 19 HA ARG 19 -10.521 2.001 -3.021
130 1HB ARG 19 HB2 ARG 19 -7.733 3.215 -3.314
131 2HB ARG 19 HB3 ARG 19 -9.108 3.553 -4.422
132 1HG ARG 19 HG2 ARG 19 -8.952 4.223 -1.432
133 2HG ARG 19 HG3 ARG 19 -8.866 5.359 -2.821
134 1HD ARG 19 HD2 ARG 19 -11.282 3.719 -1.835
135 2HD ARG 19 HD3 ARG 19 -11.083 5.523 -1.803
136 HE ARG 19 HE ARG 19 -10.816 5.004 -4.491
137 1HH1 ARG 19 HH12 ARG 19 -13.296 3.922 -2.151
138 2HH1 ARG 19 HH11 ARG 19 -14.531 3.731 -3.353
139 1HH2 ARG 19 HH22 ARG 19 -12.490 4.732 -6.081
140 2HH2 ARG 19 HH21 ARG 19 -14.068 4.196 -5.605
141 H LEU 20 HN LEU 20 -7.667 -0.083 -3.084
142 HA LEU 20 HA LEU 20 -8.228 -0.931 -5.816
143 1HB LEU 20 HB2 LEU 20 -5.892 -0.661 -5.341
144 2HB LEU 20 HB3 LEU 20 -6.014 -1.620 -3.851
145 HG LEU 20 HG LEU 20 -6.559 -3.661 -5.201
146 1HD1 LEU 20 HD13 LEU 20 -7.568 -2.623 -7.257
147 2HD1 LEU 20 HD11 LEU 20 -5.969 -1.902 -7.679
148 3HD1 LEU 20 HD12 LEU 20 -6.186 -3.693 -7.678
149 1HD2 LEU 20 HD22 LEU 20 -4.258 -3.294 -4.523
150 2HD2 LEU 20 HD23 LEU 20 -4.310 -4.064 -6.149
151 3HD2 LEU 20 HD21 LEU 20 -3.932 -2.307 -6.005
152 H HIS 21 HN HIS 21 -8.203 -2.268 -2.391
153 HA HIS 21 HA HIS 21 -10.222 -4.215 -3.242
154 1HB HIS 21 HB2 HIS 21 -9.193 -5.725 -1.367
155 2HB HIS 21 HB3 HIS 21 -8.583 -5.714 -3.035
156 HD1 HIS 21 HD1 HIS 21 -7.087 -6.756 -0.530
157 HD2 HIS 21 HD2 HIS 21 -6.171 -3.289 -2.712
158 HE1 HIS 21 HE1 HIS 21 -4.567 -6.347 -0.422
159 H ASN 22 HN ASN 22 -9.324 -4.247 0.038
160 HA ASN 22 HA ASN 22 -10.979 -2.267 1.080
161 1HB ASN 22 HB2 ASN 22 -12.963 -3.724 1.899
162 2HB ASN 22 HB3 ASN 22 -12.981 -3.188 0.208
163 1HD2 ASN 22 HD22 ASN 22 -12.740 -7.244 1.053
164 2HD2 ASN 22 HD21 ASN 22 -12.480 -6.072 2.301
165 H THR 23 HN THR 23 -8.556 -2.706 1.906
166 HA THR 23 HA THR 23 -8.893 -4.085 4.439
167 HB THR 23 HB THR 23 -8.164 -5.850 2.810
168 HG1 THR 23 HG1 THR 23 -7.889 -5.940 5.025
169 1HG2 THR 23 HG21 THR 23 -6.530 -4.523 1.447
170 2HG2 THR 23 HG22 THR 23 -5.443 -4.381 2.895
171 3HG2 THR 23 HG23 THR 23 -5.795 -5.995 2.199
172 H SER 24 HN SER 24 -6.604 -3.892 5.653
173 HA SER 24 HA SER 24 -5.734 -1.134 5.565
174 1HB SER 24 HB2 SER 24 -6.506 -0.668 7.913
175 2HB SER 24 HB3 SER 24 -7.815 -0.758 6.700
176 HG SER 24 HG SER 24 -7.127 -2.611 8.699
177 H ARG 25 HN ARG 25 -4.525 -3.758 5.042
178 HA ARG 25 HA ARG 25 -2.350 -3.349 6.902
179 1HB ARG 25 HB2 ARG 25 -1.694 -5.817 6.695
180 2HB ARG 25 HB3 ARG 25 -2.864 -5.328 7.939
181 1HG ARG 25 HG2 ARG 25 -3.957 -6.344 5.282
182 2HG ARG 25 HG3 ARG 25 -3.248 -7.489 6.474
183 1HD ARG 25 HD2 ARG 25 -4.751 -6.687 8.265
184 2HD ARG 25 HD3 ARG 25 -5.495 -5.496 7.127
185 HE ARG 25 HE ARG 25 -6.123 -7.467 5.643
186 1HH1 ARG 25 HH12 ARG 25 -5.754 -7.981 9.171
187 2HH1 ARG 25 HH11 ARG 25 -6.864 -9.312 9.223
188 1HH2 ARG 25 HH22 ARG 25 -7.597 -9.262 5.750
189 2HH2 ARG 25 HH21 ARG 25 -7.918 -10.047 7.262
190 H GLY 26 HN GLY 26 -0.807 -2.644 5.669
191 1HA GLY 26 HA1 GLY 26 0.144 -3.551 3.289
192 2HA GLY 26 HA2 GLY 26 -1.122 -2.302 2.912
193 H LYS 27 HN LYS 27 2.047 -2.474 2.901
194 HA LYS 27 HA LYS 27 2.602 0.113 4.066
195 1HB LYS 27 HB2 LYS 27 3.633 -0.711 5.918
196 2HB LYS 27 HB3 LYS 27 3.172 -2.372 5.455
197 1HG LYS 27 HG2 LYS 27 5.296 -2.605 4.139
198 2HG LYS 27 HG3 LYS 27 5.801 -0.966 4.686
199 1HD LYS 27 HD2 LYS 27 5.175 -3.333 6.557
200 2HD LYS 27 HD3 LYS 27 6.805 -2.932 5.913
201 1HE LYS 27 HE2 LYS 27 6.708 -0.673 7.023
202 2HE LYS 27 HE3 LYS 27 5.104 -1.106 7.745
203 1HZ LYS 27 HZ2 LYS 27 7.667 -2.557 8.163
204 2HZ LYS 27 HZ3 LYS 27 6.923 -1.487 9.252
205 3HZ LYS 27 HZ1 LYS 27 6.166 -2.955 8.851
206 H CYS 28 HN CYS 28 4.717 0.852 3.099
207 HA CYS 28 HA CYS 28 5.167 -0.389 0.451
208 1HB CYS 28 HB2 CYS 28 5.908 1.877 -0.292
209 2HB CYS 28 HB3 CYS 28 4.239 1.826 0.311
210 H MET 29 HN MET 29 7.392 0.140 -0.426
211 HA MET 29 HA MET 29 9.410 -0.712 1.487
212 1HB MET 29 HB2 MET 29 8.759 -1.930 -0.725
213 2HB MET 29 HB3 MET 29 9.756 -0.704 -1.539
214 1HG MET 29 HG2 MET 29 11.652 -1.410 0.115
215 2HG MET 29 HG3 MET 29 10.519 -2.665 0.721
216 1HE MET 29 HE2 MET 29 12.082 -4.561 0.401
217 2HE MET 29 HE3 MET 29 13.083 -4.879 -1.056
218 3HE MET 29 HE1 MET 29 13.350 -3.387 -0.091
219 H ASN 30 HN ASN 30 11.002 0.621 -1.071
220 HA ASN 30 HA ASN 30 11.653 3.032 0.353
221 1HB ASN 30 HB2 ASN 30 13.464 3.332 -1.306
222 2HB ASN 30 HB3 ASN 30 13.500 1.784 -0.418
223 1HD2 ASN 30 HD22 ASN 30 14.424 1.074 -3.944
224 2HD2 ASN 30 HD21 ASN 30 15.019 2.079 -2.663
225 H LYS 31 HN LYS 31 9.898 2.256 -2.610
226 HA LYS 31 HA LYS 31 9.634 5.139 -3.252
227 1HB LYS 31 HB2 LYS 31 10.451 2.818 -5.067
228 2HB LYS 31 HB3 LYS 31 9.987 4.441 -5.681
229 1HG LYS 31 HG2 LYS 31 11.830 5.524 -4.549
230 2HG LYS 31 HG3 LYS 31 12.328 3.989 -3.760
231 1HD LYS 31 HD2 LYS 31 12.743 2.951 -5.991
232 2HD LYS 31 HD3 LYS 31 12.351 4.521 -6.785
233 1HE LYS 31 HE2 LYS 31 14.276 5.615 -5.601
234 2HE LYS 31 HE3 LYS 31 14.629 4.070 -4.725
235 1HZ LYS 31 HZ1 LYS 31 15.049 3.026 -6.843
236 2HZ LYS 31 HZ2 LYS 31 14.734 4.477 -7.668
237 3HZ LYS 31 HZ3 LYS 31 16.056 4.373 -6.606
238 H LYS 32 HN LYS 32 7.794 2.016 -3.074
239 HA LYS 32 HA LYS 32 5.655 3.325 -4.558
240 1HB LYS 32 HB2 LYS 32 5.333 1.643 -6.163
241 2HB LYS 32 HB3 LYS 32 7.002 2.238 -6.314
242 1HG LYS 32 HG2 LYS 32 7.358 0.035 -6.602
243 2HG LYS 32 HG3 LYS 32 7.616 0.136 -4.814
244 1HD LYS 32 HD2 LYS 32 5.298 -0.816 -4.496
245 2HD LYS 32 HD3 LYS 32 5.012 -0.722 -6.269
246 1HE LYS 32 HE2 LYS 32 6.790 -2.460 -6.640
247 2HE LYS 32 HE3 LYS 32 7.094 -2.529 -4.854
248 1HZ LYS 32 HZ2 LYS 32 4.527 -3.150 -6.221
249 2HZ LYS 32 HZ3 LYS 32 5.636 -4.273 -5.594
250 3HZ LYS 32 HZ1 LYS 32 4.814 -3.217 -4.548
251 1HN ABA 33 HN ABA 33 3.589 2.352 -4.198
252 HA ABA 33 HA ABA 33 3.328 1.473 -1.504
253 1HB ABA 33 HB3 ABA 33 1.358 2.166 -3.736
254 2HB ABA 33 HB2 ABA 33 2.036 3.269 -2.499
255 1HG ABA 33 HG1 ABA 33 0.098 0.951 -1.967
256 2HG ABA 33 HG2 ABA 33 1.163 1.703 -0.730
257 3HG ABA 33 HG3 ABA 33 -0.062 2.719 -1.595
258 H ARG 34 HN ARG 34 2.579 -0.525 -0.760
259 HA ARG 34 HA ARG 34 1.941 -2.608 -2.715
260 1HB ARG 34 HB2 ARG 34 4.454 -2.578 -1.928
261 2HB ARG 34 HB3 ARG 34 3.837 -3.209 -0.376
262 1HG ARG 34 HG2 ARG 34 2.904 -5.198 -1.580
263 2HG ARG 34 HG3 ARG 34 3.306 -4.434 -3.161
264 1HD ARG 34 HD2 ARG 34 5.763 -4.499 -2.540
265 2HD ARG 34 HD3 ARG 34 5.339 -5.370 -1.017
266 HE ARG 34 HE ARG 34 4.919 -6.348 -3.881
267 1HH1 ARG 34 HH12 ARG 34 5.237 -7.150 -0.407
268 2HH1 ARG 34 HH11 ARG 34 5.301 -8.859 -0.685
269 1HH2 ARG 34 HH22 ARG 34 5.009 -8.627 -4.215
270 2HH2 ARG 34 HH21 ARG 34 5.169 -9.707 -2.870
271 H CYS 35 HN CYS 35 1.193 -4.606 -1.057
272 HA CYS 35 HA CYS 35 -0.315 -3.558 1.116
273 1HB CYS 35 HB2 CYS 35 -1.761 -3.278 -1.100
274 2HB CYS 35 HB3 CYS 35 -1.960 -5.044 -0.991
275 H TYR 36 HN TYR 36 -1.223 -5.429 2.322
276 HA TYR 36 HA TYR 36 0.388 -7.869 2.040
277 1HB TYR 36 HB2 TYR 36 0.553 -5.605 4.096
278 2HB TYR 36 HB3 TYR 36 0.982 -7.275 4.651
279 HD1 TYR 36 HD1 TYR 36 2.554 -8.506 2.678
280 HD2 TYR 36 HD2 TYR 36 2.367 -4.326 3.623
281 HE1 TYR 36 HE1 TYR 36 4.821 -8.190 1.741
282 HE2 TYR 36 HE2 TYR 36 4.605 -3.991 2.658
283 HH TYR 36 HH TYR 36 6.357 -4.938 1.618
284 H SER 37 HN SER 37 -1.991 -8.151 1.373
285 HA SER 37 HA SER 37 -3.934 -8.193 3.494
286 1HB SER 37 HB2 SER 37 -4.495 -7.558 1.122
287 2HB SER 37 HB3 SER 37 -4.125 -9.244 0.609
288 HG SER 37 HG SER 37 -5.758 -9.917 2.053
No H/Q in entry = 288
Start of MODEL 19
1 HA PCA 1 HA PGL 1 -1.279 -8.992 -7.600
2 1HB PCA 1 HB2 PGL 1 -2.524 -6.418 -8.759
3 2HB PCA 1 HB3 PGL 1 -1.386 -7.575 -9.560
4 1HG PCA 1 HG2 PGL 1 -4.155 -7.590 -9.977
5 2HG PCA 1 HG3 PGL 1 -3.192 -9.144 -9.961
6 HN PCA 1 HN PGL 1 -3.386 -8.861 -6.104
7 H PHE 2 HN PHE 2 -0.046 -6.427 -7.866
8 HA PHE 2 HA PHE 2 -0.005 -5.346 -5.124
9 1HB PHE 2 HB2 PHE 2 2.197 -5.351 -7.301
10 2HB PHE 2 HB3 PHE 2 2.375 -4.687 -5.637
11 HD1 PHE 2 HD1 PHE 2 1.413 -6.607 -3.777
12 HD2 PHE 2 HD2 PHE 2 3.395 -7.289 -7.538
13 HE1 PHE 2 HE1 PHE 2 2.201 -8.802 -2.971
14 HE2 PHE 2 HE2 PHE 2 4.192 -9.478 -6.714
15 HZ PHE 2 HZ PHE 2 3.582 -10.248 -4.437
16 H THR 3 HN THR 3 0.570 -2.962 -5.109
17 HA THR 3 HA THR 3 -0.840 -1.434 -7.140
18 HB THR 3 HB THR 3 -0.301 0.406 -5.270
19 HG1 THR 3 HG1 THR 3 0.698 -0.467 -3.716
20 1HG2 THR 3 HG21 THR 3 -2.373 -1.832 -4.870
21 2HG2 THR 3 HG22 THR 3 -2.390 -0.191 -4.115
22 3HG2 THR 3 HG23 THR 3 -2.558 -0.357 -5.904
23 H ASN 4 HN ASN 4 0.184 0.594 -7.916
24 HA ASN 4 HA ASN 4 3.103 0.572 -8.012
25 1HB ASN 4 HB2 ASN 4 3.024 0.935 -10.511
26 2HB ASN 4 HB3 ASN 4 2.617 -0.714 -9.961
27 1HD2 ASN 4 HD22 ASN 4 0.240 -0.253 -12.635
28 2HD2 ASN 4 HD21 ASN 4 1.903 -0.633 -12.330
29 H VAL 5 HN VAL 5 1.892 2.116 -6.308
30 HA VAL 5 HA VAL 5 1.673 4.807 -7.483
31 HB VAL 5 HB VAL 5 1.148 4.111 -4.562
32 1HG1 VAL 5 HG11 VAL 5 -0.010 6.176 -6.579
33 2HG1 VAL 5 HG12 VAL 5 -0.535 5.981 -4.868
34 3HG1 VAL 5 HG13 VAL 5 1.119 6.563 -5.229
35 1HG2 VAL 5 HG22 VAL 5 -0.716 3.571 -6.943
36 2HG2 VAL 5 HG23 VAL 5 -0.139 2.421 -5.666
37 3HG2 VAL 5 HG21 VAL 5 -1.251 3.757 -5.236
38 H SER 6 HN SER 6 2.699 6.297 -5.362
39 HA SER 6 HA SER 6 5.454 5.328 -4.940
40 1HB SER 6 HB2 SER 6 6.132 7.782 -4.745
41 2HB SER 6 HB3 SER 6 5.751 7.147 -6.369
42 HG SER 6 HG SER 6 4.818 9.154 -5.992
43 H CYS 7 HN CYS 7 6.129 5.097 -2.940
44 HA CYS 7 HA CYS 7 4.635 6.410 -0.712
45 1HB CYS 7 HB2 CYS 7 3.363 4.522 -0.956
46 2HB CYS 7 HB3 CYS 7 4.742 3.427 -1.051
47 H THR 8 HN THR 8 5.776 6.642 1.124
48 HA THR 8 HA THR 8 8.557 5.719 1.311
49 HB THR 8 HB THR 8 9.162 7.919 2.446
50 HG1 THR 8 HG1 THR 8 7.944 9.677 1.761
51 1HG2 THR 8 HG22 THR 8 9.945 7.217 0.169
52 2HG2 THR 8 HG23 THR 8 8.496 7.993 -0.570
53 3HG2 THR 8 HG21 THR 8 9.711 8.997 0.304
54 H THR 9 HN THR 9 5.600 6.984 2.960
55 HA THR 9 HA THR 9 6.433 5.692 5.477
56 HB THR 9 HB THR 9 4.679 7.212 6.524
57 HG1 THR 9 HG1 THR 9 3.713 7.753 4.464
58 1HG2 THR 9 HG22 THR 9 7.133 7.595 6.673
59 2HG2 THR 9 HG23 THR 9 7.105 8.503 5.109
60 3HG2 THR 9 HG21 THR 9 6.223 9.150 6.547
61 H SER 10 HN SER 10 5.142 4.205 6.465
62 HA SER 10 HA SER 10 2.963 3.010 4.981
63 1HB SER 10 HB2 SER 10 4.761 1.593 5.918
64 2HB SER 10 HB3 SER 10 4.373 2.158 7.580
65 HG SER 10 HG SER 10 2.690 0.728 5.785
66 H LYS 11 HN LYS 11 1.571 4.869 5.137
67 HA LYS 11 HA LYS 11 -0.408 4.728 7.043
68 1HB LYS 11 HB2 LYS 11 1.212 5.993 8.534
69 2HB LYS 11 HB3 LYS 11 1.397 7.238 7.271
70 1HG LYS 11 HG2 LYS 11 -0.055 7.935 9.133
71 2HG LYS 11 HG3 LYS 11 -0.967 7.935 7.585
72 1HD LYS 11 HD2 LYS 11 -2.091 5.814 8.194
73 2HD LYS 11 HD3 LYS 11 -1.088 5.661 9.677
74 1HE LYS 11 HE2 LYS 11 -3.100 7.959 9.128
75 2HE LYS 11 HE3 LYS 11 -3.436 6.493 10.134
76 1HZ LYS 11 HZ2 LYS 11 -1.319 8.513 10.670
77 2HZ LYS 11 HZ3 LYS 11 -2.816 8.372 11.459
78 3HZ LYS 11 HZ1 LYS 11 -1.662 7.135 11.601
79 H GLU 12 HN GLU 12 1.474 6.704 4.694
80 HA GLU 12 HA GLU 12 -0.172 8.369 3.569
81 1HB GLU 12 HB2 GLU 12 2.327 7.808 3.337
82 2HB GLU 12 HB3 GLU 12 1.913 6.642 2.087
83 1HG GLU 12 HG2 GLU 12 0.609 9.175 1.382
84 2HG GLU 12 HG3 GLU 12 2.240 9.575 2.027
85 1HN ABA 13 HN ABA 13 0.108 4.971 2.550
86 HA ABA 13 HA ABA 13 -1.653 5.330 0.199
87 1HB ABA 13 HB3 ABA 13 0.642 4.939 -0.364
88 2HB ABA 13 HB2 ABA 13 -0.309 3.493 -0.737
89 1HG ABA 13 HG1 ABA 13 0.635 2.391 1.377
90 2HG ABA 13 HG2 ABA 13 1.917 3.005 0.263
91 3HG ABA 13 HG3 ABA 13 1.517 3.934 1.735
92 H TRP 14 HN TRP 14 -2.570 4.735 3.010
93 HA TRP 14 HA TRP 14 -3.324 1.948 3.013
94 1HB TRP 14 HB2 TRP 14 -3.545 4.221 5.046
95 2HB TRP 14 HB3 TRP 14 -4.333 2.636 5.329
96 HD1 TRP 14 HD1 TRP 14 -0.699 2.803 3.786
97 HE1 TRP 14 HE1 TRP 14 0.742 1.368 5.258
98 HE3 TRP 14 HE3 TRP 14 -3.967 2.199 7.678
99 HZ2 TRP 14 HZ2 TRP 14 0.575 0.108 7.830
100 HZ3 TRP 14 HZ3 TRP 14 -3.272 0.807 9.600
101 HH2 TRP 14 HH2 TRP 14 -1.046 -0.282 9.625
102 H SER 15 HN SER 15 -4.863 4.960 2.011
103 HA SER 15 HA SER 15 -7.524 3.826 2.028
104 1HB SER 15 HB2 SER 15 -8.198 6.090 1.151
105 2HB SER 15 HB3 SER 15 -7.380 6.123 2.747
106 HG SER 15 HG SER 15 -6.128 6.638 0.260
107 H VAL 16 HN VAL 16 -4.783 3.450 0.192
108 HA VAL 16 HA VAL 16 -6.119 3.369 -2.407
109 HB VAL 16 HB VAL 16 -3.182 2.879 -1.698
110 1HG1 VAL 16 HG13 VAL 16 -4.669 3.264 -4.395
111 2HG1 VAL 16 HG11 VAL 16 -2.884 3.289 -4.170
112 3HG1 VAL 16 HG12 VAL 16 -3.789 1.780 -3.856
113 1HG2 VAL 16 HG22 VAL 16 -4.657 5.391 -2.726
114 2HG2 VAL 16 HG23 VAL 16 -3.821 5.205 -1.136
115 3HG2 VAL 16 HG21 VAL 16 -2.868 5.179 -2.657
116 H CYS 17 HN CYS 17 -4.497 1.207 0.013
117 HA CYS 17 HA CYS 17 -5.165 -1.199 -1.425
118 1HB CYS 17 HB2 CYS 17 -3.636 -0.464 1.079
119 2HB CYS 17 HB3 CYS 17 -4.232 -2.145 0.972
120 H GLN 18 HN GLN 18 -7.072 0.836 0.524
121 HA GLN 18 HA GLN 18 -8.731 -1.226 1.650
122 1HB GLN 18 HB2 GLN 18 -8.163 0.756 2.938
123 2HB GLN 18 HB3 GLN 18 -8.750 1.849 1.643
124 1HG GLN 18 HG2 GLN 18 -11.073 1.165 2.033
125 2HG GLN 18 HG3 GLN 18 -10.534 -0.174 3.122
126 1HE2 GLN 18 HE22 GLN 18 -11.487 2.266 5.626
127 2HE2 GLN 18 HE21 GLN 18 -12.077 0.953 4.661
128 H ARG 19 HN ARG 19 -8.811 1.326 -0.886
129 HA ARG 19 HA ARG 19 -11.513 0.716 -1.665
130 1HB ARG 19 HB2 ARG 19 -9.593 2.863 -2.617
131 2HB ARG 19 HB3 ARG 19 -11.323 2.678 -3.106
132 1HG ARG 19 HG2 ARG 19 -11.951 2.722 -0.645
133 2HG ARG 19 HG3 ARG 19 -10.280 3.244 -0.262
134 1HD ARG 19 HD2 ARG 19 -12.233 4.672 -2.180
135 2HD ARG 19 HD3 ARG 19 -11.947 5.129 -0.435
136 HE ARG 19 HE ARG 19 -9.421 5.067 -1.862
137 1HH1 ARG 19 HH22 ARG 19 -12.405 7.029 -1.617
138 2HH1 ARG 19 HH21 ARG 19 -11.616 8.515 -2.028
139 1HH2 ARG 19 HH12 ARG 19 -8.387 7.095 -2.408
140 2HH2 ARG 19 HH11 ARG 19 -9.319 8.552 -2.478
141 H LEU 20 HN LEU 20 -8.364 -0.447 -2.655
142 HA LEU 20 HA LEU 20 -9.186 -1.142 -5.345
143 1HB LEU 20 HB2 LEU 20 -6.903 -0.295 -4.991
144 2HB LEU 20 HB3 LEU 20 -6.592 -1.568 -3.776
145 HG LEU 20 HG LEU 20 -6.782 -3.313 -5.512
146 1HD1 LEU 20 HD13 LEU 20 -7.126 -1.014 -7.553
147 2HD1 LEU 20 HD11 LEU 20 -6.818 -2.744 -7.957
148 3HD1 LEU 20 HD12 LEU 20 -8.356 -2.274 -7.152
149 1HD2 LEU 20 HD21 LEU 20 -4.585 -2.296 -4.980
150 2HD2 LEU 20 HD22 LEU 20 -4.663 -2.838 -6.697
151 3HD2 LEU 20 HD23 LEU 20 -4.813 -1.085 -6.300
152 H HIS 21 HN HIS 21 -8.297 -2.699 -2.154
153 HA HIS 21 HA HIS 21 -9.334 -5.272 -3.113
154 1HB HIS 21 HB2 HIS 21 -7.228 -4.576 -0.991
155 2HB HIS 21 HB3 HIS 21 -7.852 -6.236 -1.313
156 HD1 HIS 21 HD1 HIS 21 -7.205 -7.271 -3.709
157 HD2 HIS 21 HD2 HIS 21 -5.286 -3.653 -2.808
158 HE1 HIS 21 HE1 HIS 21 -5.212 -7.011 -5.289
159 H ASN 22 HN ASN 22 -8.777 -5.023 0.204
160 HA ASN 22 HA ASN 22 -11.229 -4.086 1.173
161 1HB ASN 22 HB2 ASN 22 -12.341 -6.359 1.756
162 2HB ASN 22 HB3 ASN 22 -12.497 -5.769 0.089
163 1HD2 ASN 22 HD22 ASN 22 -11.171 -8.657 -1.400
164 2HD2 ASN 22 HD21 ASN 22 -12.083 -7.190 -1.534
165 H THR 23 HN THR 23 -8.902 -3.426 2.146
166 HA THR 23 HA THR 23 -8.956 -4.716 4.724
167 HB THR 23 HB THR 23 -7.275 -6.033 3.408
168 HG1 THR 23 HG1 THR 23 -7.282 -5.865 5.613
169 1HG2 THR 23 HG23 THR 23 -6.275 -4.249 1.995
170 2HG2 THR 23 HG21 THR 23 -5.553 -3.465 3.452
171 3HG2 THR 23 HG22 THR 23 -5.039 -5.115 2.964
172 H SER 24 HN SER 24 -6.589 -3.031 5.598
173 HA SER 24 HA SER 24 -7.327 -0.368 4.727
174 1HB SER 24 HB2 SER 24 -7.594 0.568 7.050
175 2HB SER 24 HB3 SER 24 -8.943 -0.484 6.516
176 HG SER 24 HG SER 24 -8.292 -0.929 8.614
177 H ARG 25 HN ARG 25 -4.968 -2.645 5.381
178 HA ARG 25 HA ARG 25 -3.017 -0.604 6.100
179 1HB ARG 25 HB2 ARG 25 -1.688 -2.026 7.353
180 2HB ARG 25 HB3 ARG 25 -3.349 -2.101 7.993
181 1HG ARG 25 HG2 ARG 25 -1.962 -4.259 6.276
182 2HG ARG 25 HG3 ARG 25 -2.222 -4.273 8.053
183 1HD ARG 25 HD2 ARG 25 -4.748 -4.199 7.642
184 2HD ARG 25 HD3 ARG 25 -4.383 -4.244 5.877
185 HE ARG 25 HE ARG 25 -3.763 -6.509 5.989
186 1HH1 ARG 25 HH12 ARG 25 -4.308 -5.296 9.310
187 2HH1 ARG 25 HH11 ARG 25 -4.339 -6.876 10.022
188 1HH2 ARG 25 HH22 ARG 25 -3.815 -8.614 6.966
189 2HH2 ARG 25 HH21 ARG 25 -4.056 -8.784 8.673
190 H GLY 26 HN GLY 26 -0.784 -2.116 5.623
191 1HA GLY 26 HA1 GLY 26 -0.153 -3.126 3.305
192 2HA GLY 26 HA2 GLY 26 -0.574 -1.414 2.850
193 H LYS 27 HN LYS 27 2.055 -2.201 2.608
194 HA LYS 27 HA LYS 27 3.307 -0.296 4.365
195 1HB LYS 27 HB2 LYS 27 4.613 -3.075 3.919
196 2HB LYS 27 HB3 LYS 27 5.332 -1.657 4.752
197 1HG LYS 27 HG2 LYS 27 3.528 -1.895 6.548
198 2HG LYS 27 HG3 LYS 27 2.936 -3.341 5.658
199 1HD LYS 27 HD2 LYS 27 4.180 -4.312 7.311
200 2HD LYS 27 HD3 LYS 27 5.352 -4.313 5.955
201 1HE LYS 27 HE2 LYS 27 5.246 -2.249 8.284
202 2HE LYS 27 HE3 LYS 27 6.345 -3.681 8.214
203 1HZ LYS 27 HZ2 LYS 27 6.326 -1.433 6.277
204 2HZ LYS 27 HZ3 LYS 27 7.424 -1.657 7.554
205 3HZ LYS 27 HZ1 LYS 27 7.372 -2.770 6.272
206 H CYS 28 HN CYS 28 5.493 0.202 3.206
207 HA CYS 28 HA CYS 28 5.434 -0.577 0.359
208 1HB CYS 28 HB2 CYS 28 6.024 1.823 -0.234
209 2HB CYS 28 HB3 CYS 28 4.373 1.536 0.372
210 H MET 29 HN MET 29 7.569 0.231 -0.666
211 HA MET 29 HA MET 29 9.643 -1.088 0.887
212 1HB MET 29 HB2 MET 29 8.540 -1.820 -1.401
213 2HB MET 29 HB3 MET 29 9.752 -0.721 -2.120
214 1HG MET 29 HG2 MET 29 10.117 -3.190 -0.301
215 2HG MET 29 HG3 MET 29 10.442 -3.084 -2.054
216 1HE MET 29 HE3 MET 29 12.570 -4.514 -0.977
217 2HE MET 29 HE1 MET 29 12.749 -3.672 -2.558
218 3HE MET 29 HE2 MET 29 14.079 -3.609 -1.353
219 H ASN 30 HN ASN 30 11.152 0.485 -1.598
220 HA ASN 30 HA ASN 30 12.013 2.664 0.090
221 1HB ASN 30 HB2 ASN 30 13.710 3.156 -1.639
222 2HB ASN 30 HB3 ASN 30 13.772 1.495 -0.986
223 1HD2 ASN 30 HD22 ASN 30 13.042 -0.171 -4.062
224 2HD2 ASN 30 HD21 ASN 30 13.081 -0.313 -2.336
225 H LYS 31 HN LYS 31 10.160 2.333 -2.906
226 HA LYS 31 HA LYS 31 9.448 5.181 -2.863
227 1HB LYS 31 HB2 LYS 31 10.955 3.680 -5.057
228 2HB LYS 31 HB3 LYS 31 10.017 5.139 -5.469
229 1HG LYS 31 HG2 LYS 31 12.274 5.119 -3.435
230 2HG LYS 31 HG3 LYS 31 12.394 5.627 -5.160
231 1HD LYS 31 HD2 LYS 31 10.603 7.368 -4.709
232 2HD LYS 31 HD3 LYS 31 10.663 6.919 -2.966
233 1HE LYS 31 HE2 LYS 31 13.079 7.623 -2.857
234 2HE LYS 31 HE3 LYS 31 13.036 8.042 -4.620
235 1HZ LYS 31 HZ2 LYS 31 11.327 9.650 -4.146
236 2HZ LYS 31 HZ3 LYS 31 11.358 9.264 -2.491
237 3HZ LYS 31 HZ1 LYS 31 12.724 9.958 -3.228
238 H LYS 32 HN LYS 32 8.021 2.100 -2.978
239 HA LYS 32 HA LYS 32 5.853 3.277 -4.524
240 1HB LYS 32 HB2 LYS 32 5.546 1.632 -6.056
241 2HB LYS 32 HB3 LYS 32 7.257 2.112 -6.218
242 1HG LYS 32 HG2 LYS 32 7.909 0.057 -4.816
243 2HG LYS 32 HG3 LYS 32 6.183 -0.456 -4.907
244 1HD LYS 32 HD2 LYS 32 6.336 -0.296 -7.431
245 2HD LYS 32 HD3 LYS 32 8.092 0.037 -7.246
246 1HE LYS 32 HE2 LYS 32 7.756 -2.378 -7.782
247 2HE LYS 32 HE3 LYS 32 8.369 -2.224 -6.086
248 1HZ LYS 32 HZ3 LYS 32 5.530 -2.602 -6.904
249 2HZ LYS 32 HZ1 LYS 32 6.567 -3.786 -6.263
250 3HZ LYS 32 HZ2 LYS 32 6.101 -2.456 -5.311
251 1HN ABA 33 HN ABA 33 3.832 2.322 -4.215
252 HA ABA 33 HA ABA 33 3.345 1.441 -1.588
253 1HB ABA 33 HB3 ABA 33 1.539 1.754 -4.039
254 2HB ABA 33 HB2 ABA 33 1.932 2.997 -2.803
255 1HG ABA 33 HG1 ABA 33 0.884 1.595 -1.030
256 2HG ABA 33 HG2 ABA 33 -0.268 2.164 -2.300
257 3HG ABA 33 HG3 ABA 33 0.282 0.449 -2.250
258 H ARG 34 HN ARG 34 2.775 -0.583 -0.840
259 HA ARG 34 HA ARG 34 2.501 -2.829 -2.719
260 1HB ARG 34 HB2 ARG 34 4.745 -2.389 -1.090
261 2HB ARG 34 HB3 ARG 34 3.789 -3.512 -0.095
262 1HG ARG 34 HG2 ARG 34 3.764 -5.150 -1.974
263 2HG ARG 34 HG3 ARG 34 4.523 -3.928 -3.063
264 1HD ARG 34 HD2 ARG 34 6.554 -3.853 -1.578
265 2HD ARG 34 HD3 ARG 34 5.805 -5.114 -0.508
266 HE ARG 34 HE ARG 34 5.793 -6.158 -3.174
267 1HH1 ARG 34 HH12 ARG 34 8.189 -5.093 -0.756
268 2HH1 ARG 34 HH11 ARG 34 9.382 -6.275 -1.206
269 1HH2 ARG 34 HH22 ARG 34 7.426 -7.736 -3.787
270 2HH2 ARG 34 HH21 ARG 34 8.941 -7.783 -2.937
271 H CYS 35 HN CYS 35 1.497 -4.751 -1.146
272 HA CYS 35 HA CYS 35 -0.688 -3.567 0.344
273 1HB CYS 35 HB2 CYS 35 -1.023 -3.733 -2.346
274 2HB CYS 35 HB3 CYS 35 -1.499 -5.400 -1.972
275 H TYR 36 HN TYR 36 -1.461 -4.879 1.747
276 HA TYR 36 HA TYR 36 -0.409 -7.610 2.084
277 1HB TYR 36 HB2 TYR 36 0.112 -5.180 3.905
278 2HB TYR 36 HB3 TYR 36 0.278 -6.877 4.520
279 HD1 TYR 36 HD2 TYR 36 2.011 -8.387 3.396
280 HD2 TYR 36 HD1 TYR 36 1.796 -4.175 2.660
281 HE1 TYR 36 HE2 TYR 36 4.384 -8.385 2.684
282 HE2 TYR 36 HE1 TYR 36 4.161 -4.134 2.002
283 HH TYR 36 HH TYR 36 6.038 -5.358 1.671
284 H SER 37 HN SER 37 -2.492 -8.348 1.840
285 HA SER 37 HA SER 37 -4.569 -7.378 3.714
286 1HB SER 37 HB2 SER 37 -5.157 -7.085 1.317
287 2HB SER 37 HB3 SER 37 -4.858 -8.830 1.014
288 HG SER 37 HG SER 37 -6.490 -9.264 2.555
No H/Q in entry = 288
Start of MODEL 20
1 HA PCA 1 HA PGL 1 -4.102 -8.030 -4.105
2 1HB PCA 1 HB2 PGL 1 -1.687 -9.705 -5.012
3 2HB PCA 1 HB3 PGL 1 -2.959 -10.121 -3.799
4 1HG PCA 1 HG2 PGL 1 -2.931 -11.040 -6.460
5 2HG PCA 1 HG3 PGL 1 -4.483 -10.761 -5.545
6 HN PCA 1 HN PGL 1 -3.878 -7.021 -6.457
7 H PHE 2 HN PHE 2 -2.001 -6.502 -6.312
8 HA PHE 2 HA PHE 2 -0.211 -5.405 -4.242
9 1HB PHE 2 HB2 PHE 2 0.373 -6.059 -7.219
10 2HB PHE 2 HB3 PHE 2 1.528 -5.283 -6.070
11 HD1 PHE 2 HD2 PHE 2 2.010 -6.610 -3.851
12 HD2 PHE 2 HD1 PHE 2 0.387 -8.382 -7.418
13 HE1 PHE 2 HE2 PHE 2 2.755 -8.842 -3.087
14 HE2 PHE 2 HE1 PHE 2 1.137 -10.610 -6.653
15 HZ PHE 2 HZ PHE 2 2.320 -10.845 -4.484
16 H THR 3 HN THR 3 0.569 -3.226 -4.792
17 HA THR 3 HA THR 3 -1.118 -1.660 -6.620
18 HB THR 3 HB THR 3 -0.650 0.273 -4.967
19 HG1 THR 3 HG1 THR 3 0.163 -0.173 -3.153
20 1HG2 THR 3 HG22 THR 3 -2.549 -2.044 -4.210
21 2HG2 THR 3 HG23 THR 3 -2.576 -0.415 -3.460
22 3HG2 THR 3 HG21 THR 3 -2.889 -0.587 -5.232
23 H ASN 4 HN ASN 4 0.135 0.131 -7.597
24 HA ASN 4 HA ASN 4 3.038 -0.068 -7.429
25 1HB ASN 4 HB2 ASN 4 3.197 -0.110 -9.963
26 2HB ASN 4 HB3 ASN 4 2.648 -1.637 -9.224
27 1HD2 ASN 4 HD22 ASN 4 0.303 0.234 -12.007
28 2HD2 ASN 4 HD21 ASN 4 1.862 0.831 -11.549
29 H VAL 5 HN VAL 5 1.607 1.746 -6.136
30 HA VAL 5 HA VAL 5 1.658 4.224 -7.692
31 HB VAL 5 HB VAL 5 1.087 4.115 -4.704
32 1HG1 VAL 5 HG11 VAL 5 -0.060 5.707 -7.112
33 2HG1 VAL 5 HG12 VAL 5 -0.544 5.903 -5.387
34 3HG1 VAL 5 HG13 VAL 5 1.115 6.349 -5.904
35 1HG2 VAL 5 HG22 VAL 5 -0.779 3.087 -6.919
36 2HG2 VAL 5 HG23 VAL 5 -0.184 2.231 -5.430
37 3HG2 VAL 5 HG21 VAL 5 -1.312 3.621 -5.284
38 H SER 6 HN SER 6 2.734 6.040 -5.928
39 HA SER 6 HA SER 6 5.432 5.050 -5.233
40 1HB SER 6 HB2 SER 6 6.188 7.476 -5.447
41 2HB SER 6 HB3 SER 6 5.827 6.584 -6.949
42 HG SER 6 HG SER 6 4.052 8.358 -5.626
43 H CYS 7 HN CYS 7 6.018 5.155 -3.209
44 HA CYS 7 HA CYS 7 4.148 6.415 -1.264
45 1HB CYS 7 HB2 CYS 7 4.599 4.889 0.350
46 2HB CYS 7 HB3 CYS 7 4.537 3.942 -1.118
47 H THR 8 HN THR 8 5.181 7.190 0.775
48 HA THR 8 HA THR 8 7.929 8.150 0.573
49 HB THR 8 HB THR 8 7.226 10.237 1.900
50 HG1 THR 8 HG1 THR 8 5.052 9.572 2.206
51 1HG2 THR 8 HG23 THR 8 8.077 10.246 -0.458
52 2HG2 THR 8 HG21 THR 8 6.392 10.049 -1.069
53 3HG2 THR 8 HG22 THR 8 6.855 11.534 -0.158
54 H THR 9 HN THR 9 4.977 7.667 2.582
55 HA THR 9 HA THR 9 6.614 6.517 4.749
56 HB THR 9 HB THR 9 4.784 7.348 6.295
57 HG1 THR 9 HG1 THR 9 3.582 9.084 5.518
58 1HG2 THR 9 HG22 THR 9 7.020 8.463 6.065
59 2HG2 THR 9 HG23 THR 9 6.363 9.513 4.754
60 3HG2 THR 9 HG21 THR 9 5.697 9.633 6.423
61 H SER 10 HN SER 10 5.626 4.836 5.936
62 HA SER 10 HA SER 10 3.526 3.278 4.639
63 1HB SER 10 HB2 SER 10 5.313 2.629 7.056
64 2HB SER 10 HB3 SER 10 4.068 1.532 6.333
65 HG SER 10 HG SER 10 5.225 1.630 4.405
66 H LYS 11 HN LYS 11 2.047 5.034 4.998
67 HA LYS 11 HA LYS 11 0.338 4.731 7.208
68 1HB LYS 11 HB2 LYS 11 1.919 7.370 7.104
69 2HB LYS 11 HB3 LYS 11 0.237 7.306 7.745
70 1HG LYS 11 HG2 LYS 11 0.963 5.487 9.347
71 2HG LYS 11 HG3 LYS 11 2.666 5.906 8.944
72 1HD LYS 11 HD2 LYS 11 2.298 8.238 9.705
73 2HD LYS 11 HD3 LYS 11 0.551 7.891 9.980
74 1HE LYS 11 HE2 LYS 11 1.166 6.187 11.739
75 2HE LYS 11 HE3 LYS 11 2.914 6.597 11.508
76 1HZ LYS 11 HZ1 LYS 11 2.389 8.867 12.136
77 2HZ LYS 11 HZ2 LYS 11 0.760 8.453 12.373
78 3HZ LYS 11 HZ3 LYS 11 1.960 7.763 13.355
79 H GLU 12 HN GLU 12 1.455 6.597 4.362
80 HA GLU 12 HA GLU 12 -0.843 7.654 3.406
81 1HB GLU 12 HB2 GLU 12 1.777 7.761 2.967
82 2HB GLU 12 HB3 GLU 12 1.473 6.678 1.618
83 1HG GLU 12 HG2 GLU 12 0.072 9.414 2.068
84 2HG GLU 12 HG3 GLU 12 1.574 9.188 1.103
85 1HN ABA 13 HN ABA 13 0.189 4.367 3.298
86 HA ABA 13 HA ABA 13 -1.023 3.620 0.792
87 1HB ABA 13 HB3 ABA 13 0.178 1.546 1.081
88 2HB ABA 13 HB2 ABA 13 0.493 1.891 2.825
89 1HG ABA 13 HG1 ABA 13 1.611 3.617 0.516
90 2HG ABA 13 HG2 ABA 13 2.024 3.726 2.280
91 3HG ABA 13 HG3 ABA 13 2.447 2.249 1.329
92 H TRP 14 HN TRP 14 -2.402 3.941 3.748
93 HA TRP 14 HA TRP 14 -3.919 1.508 4.052
94 1HB TRP 14 HB2 TRP 14 -3.596 4.181 5.458
95 2HB TRP 14 HB3 TRP 14 -5.119 3.270 5.761
96 HD1 TRP 14 HD1 TRP 14 -5.197 1.516 7.402
97 HE1 TRP 14 HE1 TRP 14 -3.569 -0.064 8.540
98 HE3 TRP 14 HE3 TRP 14 -0.873 3.020 5.173
99 HZ2 TRP 14 HZ2 TRP 14 -0.740 -0.335 8.875
100 HZ3 TRP 14 HZ3 TRP 14 1.230 1.922 5.807
101 HH2 TRP 14 HH2 TRP 14 1.321 0.330 7.685
102 H SER 15 HN SER 15 -4.453 4.697 2.477
103 HA SER 15 HA SER 15 -7.247 4.124 1.964
104 1HB SER 15 HB2 SER 15 -7.221 6.431 0.924
105 2HB SER 15 HB3 SER 15 -6.760 6.383 2.656
106 HG SER 15 HG SER 15 -5.412 7.692 1.412
107 H VAL 16 HN VAL 16 -4.288 3.162 0.619
108 HA VAL 16 HA VAL 16 -5.294 3.074 -2.130
109 HB VAL 16 HB VAL 16 -2.553 2.188 -1.136
110 1HG1 VAL 16 HG11 VAL 16 -3.381 1.428 -3.451
111 2HG1 VAL 16 HG12 VAL 16 -3.634 3.152 -3.883
112 3HG1 VAL 16 HG13 VAL 16 -1.975 2.539 -3.524
113 1HG2 VAL 16 HG23 VAL 16 -3.487 4.984 -2.067
114 2HG2 VAL 16 HG21 VAL 16 -2.816 4.557 -0.445
115 3HG2 VAL 16 HG22 VAL 16 -1.772 4.457 -1.900
116 H CYS 17 HN CYS 17 -4.696 0.941 0.741
117 HA CYS 17 HA CYS 17 -5.225 -1.419 -0.796
118 1HB CYS 17 HB2 CYS 17 -4.841 -0.808 2.162
119 2HB CYS 17 HB3 CYS 17 -5.374 -2.434 1.643
120 H GLN 18 HN GLN 18 -7.309 0.975 0.704
121 HA GLN 18 HA GLN 18 -9.593 -0.808 0.969
122 1HB GLN 18 HB2 GLN 18 -9.349 2.216 1.402
123 2HB GLN 18 HB3 GLN 18 -10.831 1.214 1.711
124 1HG GLN 18 HG2 GLN 18 -9.687 -0.058 3.459
125 2HG GLN 18 HG3 GLN 18 -8.144 0.803 3.111
126 1HE2 GLN 18 HE22 GLN 18 -11.317 2.898 4.913
127 2HE2 GLN 18 HE21 GLN 18 -11.646 1.591 3.825
128 H ARG 19 HN ARG 19 -8.359 1.760 -1.165
129 HA ARG 19 HA ARG 19 -10.753 2.014 -2.713
130 1HB ARG 19 HB2 ARG 19 -9.891 3.823 -3.751
131 2HB ARG 19 HB3 ARG 19 -9.199 3.860 -2.110
132 1HG ARG 19 HG2 ARG 19 -7.306 4.409 -3.222
133 2HG ARG 19 HG3 ARG 19 -7.113 2.631 -3.290
134 1HD ARG 19 HD2 ARG 19 -6.615 3.650 -5.507
135 2HD ARG 19 HD3 ARG 19 -8.164 2.686 -5.615
136 HE ARG 19 HE ARG 19 -8.876 5.357 -4.912
137 1HH1 ARG 19 HH22 ARG 19 -7.429 3.651 -7.706
138 2HH1 ARG 19 HH21 ARG 19 -8.167 4.686 -8.881
139 1HH2 ARG 19 HH12 ARG 19 -9.857 6.722 -6.509
140 2HH2 ARG 19 HH11 ARG 19 -9.567 6.451 -8.193
141 H LEU 20 HN LEU 20 -8.028 -0.081 -2.903
142 HA LEU 20 HA LEU 20 -8.501 -0.934 -5.644
143 1HB LEU 20 HB2 LEU 20 -6.358 -1.141 -3.584
144 2HB LEU 20 HB3 LEU 20 -6.586 -2.675 -4.475
145 HG LEU 20 HG LEU 20 -4.865 -1.360 -5.405
146 1HD1 LEU 20 HD12 LEU 20 -6.105 -2.921 -6.862
147 2HD1 LEU 20 HD13 LEU 20 -7.233 -1.605 -7.361
148 3HD1 LEU 20 HD11 LEU 20 -5.489 -1.513 -7.806
149 1HD2 LEU 20 HD23 LEU 20 -5.683 0.967 -4.938
150 2HD2 LEU 20 HD21 LEU 20 -5.181 0.755 -6.656
151 3HD2 LEU 20 HD22 LEU 20 -6.929 0.781 -6.230
152 H HIS 21 HN HIS 21 -8.127 -2.581 -2.462
153 HA HIS 21 HA HIS 21 -9.961 -4.698 -3.282
154 1HB HIS 21 HB2 HIS 21 -7.841 -4.566 -1.052
155 2HB HIS 21 HB3 HIS 21 -8.780 -6.024 -1.553
156 HD1 HIS 21 HD1 HIS 21 -8.219 -6.756 -4.196
157 HD2 HIS 21 HD2 HIS 21 -5.538 -4.051 -2.435
158 HE1 HIS 21 HE1 HIS 21 -6.095 -6.698 -5.617
159 H ASN 22 HN ASN 22 -9.361 -4.542 -0.004
160 HA ASN 22 HA ASN 22 -11.199 -2.777 1.040
161 1HB ASN 22 HB2 ASN 22 -13.108 -4.240 1.798
162 2HB ASN 22 HB3 ASN 22 -13.100 -3.915 0.051
163 1HD2 ASN 22 HD22 ASN 22 -13.209 -7.755 1.350
164 2HD2 ASN 22 HD21 ASN 22 -13.379 -6.380 2.392
165 H THR 23 HN THR 23 -8.802 -3.009 1.873
166 HA THR 23 HA THR 23 -8.976 -4.404 4.389
167 HB THR 23 HB THR 23 -7.955 -6.031 2.635
168 HG1 THR 23 HG1 THR 23 -6.587 -6.826 4.170
169 1HG2 THR 23 HG22 THR 23 -6.274 -4.425 1.631
170 2HG2 THR 23 HG23 THR 23 -5.414 -4.394 3.233
171 3HG2 THR 23 HG21 THR 23 -5.535 -5.922 2.316
172 H SER 24 HN SER 24 -6.672 -3.773 5.517
173 HA SER 24 HA SER 24 -6.276 -0.878 4.986
174 1HB SER 24 HB2 SER 24 -6.717 -2.127 7.766
175 2HB SER 24 HB3 SER 24 -6.292 -0.401 7.408
176 HG SER 24 HG SER 24 -8.470 -0.695 7.760
177 H ARG 25 HN ARG 25 -4.976 -4.051 5.560
178 HA ARG 25 HA ARG 25 -2.465 -3.087 6.662
179 1HB ARG 25 HB2 ARG 25 -2.099 -5.800 6.509
180 2HB ARG 25 HB3 ARG 25 -2.751 -4.919 7.907
181 1HG ARG 25 HG2 ARG 25 -4.668 -5.909 5.767
182 2HG ARG 25 HG3 ARG 25 -4.010 -7.044 6.983
183 1HD ARG 25 HD2 ARG 25 -5.072 -6.068 8.815
184 2HD ARG 25 HD3 ARG 25 -5.179 -4.431 8.043
185 HE ARG 25 HE ARG 25 -6.740 -5.999 6.377
186 1HH1 ARG 25 HH22 ARG 25 -6.790 -5.130 9.846
187 2HH1 ARG 25 HH21 ARG 25 -8.515 -5.149 9.968
188 1HH2 ARG 25 HH12 ARG 25 -9.055 -6.112 6.581
189 2HH2 ARG 25 HH11 ARG 25 -9.824 -5.720 8.084
190 H GLY 26 HN GLY 26 -0.921 -2.615 5.487
191 1HA GLY 26 HA1 GLY 26 0.151 -3.570 3.183
192 2HA GLY 26 HA2 GLY 26 -1.170 -2.415 2.707
193 H LYS 27 HN LYS 27 1.983 -2.377 2.892
194 HA LYS 27 HA LYS 27 2.310 0.142 4.354
195 1HB LYS 27 HB2 LYS 27 4.269 -2.249 4.405
196 2HB LYS 27 HB3 LYS 27 4.477 -0.646 5.205
197 1HG LYS 27 HG2 LYS 27 2.360 -1.203 6.568
198 2HG LYS 27 HG3 LYS 27 2.441 -2.850 5.854
199 1HD LYS 27 HD2 LYS 27 3.438 -2.982 8.016
200 2HD LYS 27 HD3 LYS 27 4.789 -3.082 6.833
201 1HE LYS 27 HE2 LYS 27 5.350 -0.657 7.287
202 2HE LYS 27 HE3 LYS 27 3.932 -0.545 8.408
203 1HZ LYS 27 HZ3 LYS 27 4.958 -2.228 9.778
204 2HZ LYS 27 HZ1 LYS 27 6.291 -2.326 8.729
205 3HZ LYS 27 HZ2 LYS 27 5.980 -0.887 9.577
206 H CYS 28 HN CYS 28 5.273 -0.252 3.417
207 HA CYS 28 HA CYS 28 5.005 -0.214 0.558
208 1HB CYS 28 HB2 CYS 28 4.781 2.137 0.247
209 2HB CYS 28 HB3 CYS 28 4.395 2.186 1.956
210 H MET 29 HN MET 29 7.262 0.621 -0.340
211 HA MET 29 HA MET 29 9.228 -1.062 1.036
212 1HB MET 29 HB2 MET 29 8.193 -1.680 -1.265
213 2HB MET 29 HB3 MET 29 9.181 -0.364 -1.943
214 1HG MET 29 HG2 MET 29 11.225 -1.563 -0.863
215 2HG MET 29 HG3 MET 29 10.090 -2.856 -0.354
216 1HE MET 29 HE1 MET 29 12.769 -3.220 -1.923
217 2HE MET 29 HE2 MET 29 11.686 -4.567 -1.433
218 3HE MET 29 HE3 MET 29 12.313 -4.485 -3.114
219 H ASN 30 HN ASN 30 10.933 0.428 -1.217
220 HA ASN 30 HA ASN 30 11.776 2.649 0.405
221 1HB ASN 30 HB2 ASN 30 13.608 2.952 -1.230
222 2HB ASN 30 HB3 ASN 30 13.532 1.331 -0.486
223 1HD2 ASN 30 HD22 ASN 30 14.405 0.922 -4.083
224 2HD2 ASN 30 HD21 ASN 30 15.059 1.781 -2.729
225 H LYS 31 HN LYS 31 10.104 2.233 -2.697
226 HA LYS 31 HA LYS 31 9.633 5.135 -2.900
227 1HB LYS 31 HB2 LYS 31 10.781 3.244 -5.044
228 2HB LYS 31 HB3 LYS 31 10.243 4.927 -5.361
229 1HG LYS 31 HG2 LYS 31 11.986 5.823 -3.861
230 2HG LYS 31 HG3 LYS 31 12.541 4.154 -3.494
231 1HD LYS 31 HD2 LYS 31 14.057 5.012 -5.121
232 2HD LYS 31 HD3 LYS 31 13.041 3.749 -5.891
233 1HE LYS 31 HE2 LYS 31 13.403 5.675 -7.439
234 2HE LYS 31 HE3 LYS 31 11.654 5.564 -7.006
235 1HZ LYS 31 HZ2 LYS 31 13.655 7.395 -5.787
236 2HZ LYS 31 HZ3 LYS 31 12.462 7.808 -6.923
237 3HZ LYS 31 HZ1 LYS 31 12.012 7.290 -5.369
238 H LYS 32 HN LYS 32 7.945 2.173 -2.652
239 HA LYS 32 HA LYS 32 5.909 3.140 -4.490
240 1HB LYS 32 HB2 LYS 32 5.610 1.242 -5.725
241 2HB LYS 32 HB3 LYS 32 7.341 1.662 -5.878
242 1HG LYS 32 HG2 LYS 32 7.862 -0.113 -4.086
243 2HG LYS 32 HG3 LYS 32 6.133 -0.628 -4.209
244 1HD LYS 32 HD2 LYS 32 6.430 -0.946 -6.667
245 2HD LYS 32 HD3 LYS 32 8.178 -0.556 -6.483
246 1HE LYS 32 HE2 LYS 32 8.447 -2.543 -4.924
247 2HE LYS 32 HE3 LYS 32 6.691 -2.932 -5.133
248 1HZ LYS 32 HZ2 LYS 32 7.100 -3.234 -7.482
249 2HZ LYS 32 HZ3 LYS 32 8.748 -2.878 -7.279
250 3HZ LYS 32 HZ1 LYS 32 8.079 -4.256 -6.544
251 1HN ABA 33 HN ABA 33 3.829 2.126 -4.147
252 HA ABA 33 HA ABA 33 3.351 1.577 -1.354
253 1HB ABA 33 HB3 ABA 33 1.552 2.087 -3.794
254 2HB ABA 33 HB2 ABA 33 2.116 3.295 -2.579
255 1HG ABA 33 HG1 ABA 33 -0.126 2.776 -1.984
256 2HG ABA 33 HG2 ABA 33 0.171 0.990 -1.996
257 3HG ABA 33 HG3 ABA 33 1.002 2.033 -0.788
258 H ARG 34 HN ARG 34 2.396 -0.340 -0.607
259 HA ARG 34 HA ARG 34 2.199 -2.624 -2.438
260 1HB ARG 34 HB2 ARG 34 4.407 -2.149 -0.674
261 2HB ARG 34 HB3 ARG 34 3.451 -3.428 0.124
262 1HG ARG 34 HG2 ARG 34 3.509 -4.790 -1.950
263 2HG ARG 34 HG3 ARG 34 4.368 -3.467 -2.821
264 1HD ARG 34 HD2 ARG 34 6.328 -3.667 -1.306
265 2HD ARG 34 HD3 ARG 34 5.499 -4.947 -0.343
266 HE ARG 34 HE ARG 34 6.738 -5.193 -3.044
267 1HH1 ARG 34 HH22 ARG 34 4.516 -6.728 -0.691
268 2HH1 ARG 34 HH21 ARG 34 4.664 -8.305 -1.394
269 1HH2 ARG 34 HH12 ARG 34 6.907 -7.311 -3.961
270 2HH2 ARG 34 HH11 ARG 34 6.036 -8.640 -3.270
271 H CYS 35 HN CYS 35 1.184 -4.526 -1.095
272 HA CYS 35 HA CYS 35 -0.645 -3.633 0.908
273 1HB CYS 35 HB2 CYS 35 -1.741 -3.223 -1.443
274 2HB CYS 35 HB3 CYS 35 -1.929 -4.991 -1.522
275 H TYR 36 HN TYR 36 -1.180 -5.256 2.197
276 HA TYR 36 HA TYR 36 0.288 -7.812 1.923
277 1HB TYR 36 HB2 TYR 36 0.469 -5.546 3.990
278 2HB TYR 36 HB3 TYR 36 0.903 -7.222 4.495
279 HD1 TYR 36 HD1 TYR 36 2.526 -8.418 2.574
280 HD2 TYR 36 HD2 TYR 36 2.299 -4.246 3.564
281 HE1 TYR 36 HE1 TYR 36 4.867 -8.118 1.856
282 HE2 TYR 36 HE2 TYR 36 4.625 -3.929 2.826
283 HH TYR 36 HH TYR 36 6.499 -4.924 2.064
284 H SER 37 HN SER 37 -1.989 -8.417 1.368
285 HA SER 37 HA SER 37 -4.027 -8.205 3.362
286 1HB SER 37 HB2 SER 37 -3.888 -9.880 0.788
287 2HB SER 37 HB3 SER 37 -5.354 -9.633 1.815
288 HG SER 37 HG SER 37 -5.253 -8.229 0.050
No H/Q in entry = 288
Start of MODEL 21
1 HA PCA 1 HA PGL 1 -3.654 -7.540 -5.594
2 1HB PCA 1 HB2 PGL 1 -3.026 -8.218 -2.656
3 2HB PCA 1 HB3 PGL 1 -4.637 -7.968 -3.434
4 1HG PCA 1 HG2 PGL 1 -3.495 -10.486 -2.901
5 2HG PCA 1 HG3 PGL 1 -4.608 -10.204 -4.316
6 HN PCA 1 HN PGL 1 -1.413 -8.723 -6.000
7 H PHE 2 HN PHE 2 -0.860 -6.977 -6.138
8 HA PHE 2 HA PHE 2 -0.007 -4.949 -4.199
9 1HB PHE 2 HB2 PHE 2 1.442 -6.337 -6.552
10 2HB PHE 2 HB3 PHE 2 2.180 -5.064 -5.498
11 HD1 PHE 2 HD1 PHE 2 2.634 -5.493 -3.153
12 HD2 PHE 2 HD2 PHE 2 1.049 -8.592 -5.667
13 HE1 PHE 2 HE1 PHE 2 3.246 -7.183 -1.450
14 HE2 PHE 2 HE2 PHE 2 1.644 -10.281 -3.962
15 HZ PHE 2 HZ PHE 2 2.744 -9.582 -1.849
16 H THR 3 HN THR 3 0.610 -2.832 -4.918
17 HA THR 3 HA THR 3 -0.948 -1.875 -7.215
18 HB THR 3 HB THR 3 -1.220 0.189 -6.172
19 HG1 THR 3 HG1 THR 3 -0.255 0.610 -4.127
20 1HG2 THR 3 HG21 THR 3 -2.537 -1.786 -5.165
21 2HG2 THR 3 HG22 THR 3 -1.345 -1.822 -3.821
22 3HG2 THR 3 HG23 THR 3 -2.347 -0.359 -4.069
23 H ASN 4 HN ASN 4 0.242 0.496 -7.855
24 HA ASN 4 HA ASN 4 3.100 0.280 -7.977
25 1HB ASN 4 HB2 ASN 4 3.064 0.680 -10.539
26 2HB ASN 4 HB3 ASN 4 2.808 -0.984 -9.959
27 1HD2 ASN 4 HD22 ASN 4 -0.304 -1.421 -11.535
28 2HD2 ASN 4 HD21 ASN 4 1.041 -2.099 -10.683
29 H VAL 5 HN VAL 5 1.746 1.883 -6.364
30 HA VAL 5 HA VAL 5 1.729 4.551 -7.618
31 HB VAL 5 HB VAL 5 1.041 4.050 -4.698
32 1HG1 VAL 5 HG12 VAL 5 0.047 5.994 -6.905
33 2HG1 VAL 5 HG13 VAL 5 -0.549 5.938 -5.206
34 3HG1 VAL 5 HG11 VAL 5 1.141 6.430 -5.540
35 1HG2 VAL 5 HG22 VAL 5 -0.709 3.388 -7.141
36 2HG2 VAL 5 HG23 VAL 5 -0.237 2.321 -5.750
37 3HG2 VAL 5 HG21 VAL 5 -1.344 3.712 -5.490
38 H SER 6 HN SER 6 2.718 6.103 -5.529
39 HA SER 6 HA SER 6 5.427 5.074 -4.972
40 1HB SER 6 HB2 SER 6 6.139 7.512 -4.810
41 2HB SER 6 HB3 SER 6 5.782 6.861 -6.435
42 HG SER 6 HG SER 6 4.003 8.385 -4.837
43 H CYS 7 HN CYS 7 6.092 4.970 -2.930
44 HA CYS 7 HA CYS 7 4.545 6.384 -0.805
45 1HB CYS 7 HB2 CYS 7 3.303 4.489 -0.851
46 2HB CYS 7 HB3 CYS 7 4.679 3.402 -0.963
47 H THR 8 HN THR 8 5.707 6.784 0.994
48 HA THR 8 HA THR 8 8.504 5.926 1.219
49 HB THR 8 HB THR 8 9.090 8.225 2.151
50 HG1 THR 8 HG1 THR 8 6.917 8.971 2.239
51 1HG2 THR 8 HG23 THR 8 9.882 7.349 -0.059
52 2HG2 THR 8 HG21 THR 8 8.417 8.027 -0.860
53 3HG2 THR 8 HG22 THR 8 9.611 9.129 -0.084
54 H THR 9 HN THR 9 5.597 7.415 2.756
55 HA THR 9 HA THR 9 6.344 6.295 5.369
56 HB THR 9 HB THR 9 4.496 7.868 6.207
57 HG1 THR 9 HG1 THR 9 4.127 9.622 4.842
58 1HG2 THR 9 HG21 THR 9 6.937 8.267 6.472
59 2HG2 THR 9 HG22 THR 9 6.992 9.078 4.857
60 3HG2 THR 9 HG23 THR 9 6.018 9.795 6.200
61 H SER 10 HN SER 10 5.226 4.629 6.206
62 HA SER 10 HA SER 10 3.094 3.398 4.689
63 1HB SER 10 HB2 SER 10 3.423 1.488 6.324
64 2HB SER 10 HB3 SER 10 4.846 1.925 5.326
65 HG SER 10 HG SER 10 4.397 2.745 7.996
66 H LYS 11 HN LYS 11 1.636 5.188 5.077
67 HA LYS 11 HA LYS 11 -0.318 4.654 6.916
68 1HB LYS 11 HB2 LYS 11 1.584 6.012 8.364
69 2HB LYS 11 HB3 LYS 11 0.625 7.397 7.794
70 1HG LYS 11 HG2 LYS 11 -1.431 6.365 8.789
71 2HG LYS 11 HG3 LYS 11 -0.525 4.841 9.085
72 1HD LYS 11 HD2 LYS 11 1.018 6.106 10.659
73 2HD LYS 11 HD3 LYS 11 -0.043 7.545 10.468
74 1HE LYS 11 HE2 LYS 11 -0.608 6.317 12.558
75 2HE LYS 11 HE3 LYS 11 -1.990 6.192 11.393
76 1HZ LYS 11 HZ3 LYS 11 0.104 4.132 11.864
77 2HZ LYS 11 HZ1 LYS 11 -1.490 4.104 12.453
78 3HZ LYS 11 HZ2 LYS 11 -1.197 4.009 10.782
79 H GLU 12 HN GLU 12 1.350 6.959 4.742
80 HA GLU 12 HA GLU 12 -0.570 8.492 3.742
81 1HB GLU 12 HB2 GLU 12 1.981 8.306 3.511
82 2HB GLU 12 HB3 GLU 12 1.758 7.160 2.190
83 1HG GLU 12 HG2 GLU 12 0.494 9.983 2.221
84 2HG GLU 12 HG3 GLU 12 2.203 9.705 1.731
85 1HN ABA 13 HN ABA 13 0.233 5.169 2.682
86 HA ABA 13 HA ABA 13 -1.639 5.266 0.414
87 1HB ABA 13 HB3 ABA 13 0.717 4.975 -0.104
88 2HB ABA 13 HB2 ABA 13 -0.234 3.549 -0.550
89 1HG ABA 13 HG1 ABA 13 1.549 3.848 1.966
90 2HG ABA 13 HG2 ABA 13 0.683 2.324 1.489
91 3HG ABA 13 HG3 ABA 13 1.970 3.017 0.429
92 H TRP 14 HN TRP 14 -2.564 4.780 3.190
93 HA TRP 14 HA TRP 14 -3.356 1.996 3.245
94 1HB TRP 14 HB2 TRP 14 -3.663 4.348 5.193
95 2HB TRP 14 HB3 TRP 14 -4.488 2.774 5.472
96 HD1 TRP 14 HD1 TRP 14 -0.705 3.203 4.341
97 HE1 TRP 14 HE1 TRP 14 0.594 1.571 5.752
98 HE3 TRP 14 HE3 TRP 14 -4.409 1.926 7.637
99 HZ2 TRP 14 HZ2 TRP 14 0.148 -0.110 8.013
100 HZ3 TRP 14 HZ3 TRP 14 -3.924 0.211 9.349
101 HH2 TRP 14 HH2 TRP 14 -1.693 -0.858 9.463
102 H SER 15 HN SER 15 -4.753 4.999 2.022
103 HA SER 15 HA SER 15 -7.430 3.913 1.902
104 1HB SER 15 HB2 SER 15 -8.005 6.136 0.873
105 2HB SER 15 HB3 SER 15 -7.319 6.228 2.528
106 HG SER 15 HG SER 15 -5.881 6.642 0.122
107 H VAL 16 HN VAL 16 -4.592 3.376 0.302
108 HA VAL 16 HA VAL 16 -5.625 3.307 -2.422
109 HB VAL 16 HB VAL 16 -2.832 2.719 -1.318
110 1HG1 VAL 16 HG11 VAL 16 -3.851 3.099 -4.222
111 2HG1 VAL 16 HG12 VAL 16 -2.128 2.972 -3.697
112 3HG1 VAL 16 HG13 VAL 16 -3.210 1.563 -3.520
113 1HG2 VAL 16 HG22 VAL 16 -4.047 5.227 -2.662
114 2HG2 VAL 16 HG23 VAL 16 -3.498 5.097 -0.948
115 3HG2 VAL 16 HG21 VAL 16 -2.301 4.979 -2.280
116 H CYS 17 HN CYS 17 -4.454 1.100 0.199
117 HA CYS 17 HA CYS 17 -5.167 -1.305 -1.222
118 1HB CYS 17 HB2 CYS 17 -4.154 -0.574 1.555
119 2HB CYS 17 HB3 CYS 17 -4.847 -2.204 1.341
120 H GLN 18 HN GLN 18 -7.134 1.027 0.438
121 HA GLN 18 HA GLN 18 -9.049 -0.812 1.488
122 1HB GLN 18 HB2 GLN 18 -8.188 1.268 2.584
123 2HB GLN 18 HB3 GLN 18 -9.011 2.272 1.363
124 1HG GLN 18 HG2 GLN 18 -10.417 0.123 3.040
125 2HG GLN 18 HG3 GLN 18 -10.078 1.772 3.720
126 1HE2 GLN 18 HE22 GLN 18 -13.519 1.298 1.745
127 2HE2 GLN 18 HE21 GLN 18 -12.613 0.059 2.552
128 H ARG 19 HN ARG 19 -8.923 1.769 -0.980
129 HA ARG 19 HA ARG 19 -11.561 1.309 -1.972
130 1HB ARG 19 HB2 ARG 19 -9.349 3.151 -2.973
131 2HB ARG 19 HB3 ARG 19 -11.018 3.059 -3.657
132 1HG ARG 19 HG2 ARG 19 -11.894 3.481 -1.285
133 2HG ARG 19 HG3 ARG 19 -10.227 3.970 -0.846
134 1HD ARG 19 HD2 ARG 19 -11.070 5.212 -3.415
135 2HD ARG 19 HD3 ARG 19 -12.337 5.505 -2.176
136 HE ARG 19 HE ARG 19 -9.505 6.513 -2.227
137 1HH1 ARG 19 HH12 ARG 19 -12.507 6.211 -0.300
138 2HH1 ARG 19 HH11 ARG 19 -12.126 7.544 0.738
139 1HH2 ARG 19 HH22 ARG 19 -9.024 8.297 -0.828
140 2HH2 ARG 19 HH21 ARG 19 -10.126 8.744 0.433
141 H LEU 20 HN LEU 20 -8.428 -0.075 -2.793
142 HA LEU 20 HA LEU 20 -9.172 -0.830 -5.479
143 1HB LEU 20 HB2 LEU 20 -6.907 0.017 -4.990
144 2HB LEU 20 HB3 LEU 20 -6.661 -1.289 -3.790
145 HG LEU 20 HG LEU 20 -6.810 -2.982 -5.567
146 1HD1 LEU 20 HD12 LEU 20 -6.991 -0.618 -7.557
147 2HD1 LEU 20 HD13 LEU 20 -6.701 -2.341 -8.004
148 3HD1 LEU 20 HD11 LEU 20 -8.268 -1.859 -7.266
149 1HD2 LEU 20 HD23 LEU 20 -4.641 -2.067 -4.884
150 2HD2 LEU 20 HD21 LEU 20 -4.617 -2.513 -6.632
151 3HD2 LEU 20 HD22 LEU 20 -4.747 -0.779 -6.145
152 H HIS 21 HN HIS 21 -8.586 -2.318 -2.208
153 HA HIS 21 HA HIS 21 -9.789 -4.833 -3.148
154 1HB HIS 21 HB2 HIS 21 -7.537 -4.390 -1.099
155 2HB HIS 21 HB3 HIS 21 -8.337 -5.968 -1.453
156 HD1 HIS 21 HD1 HIS 21 -7.994 -6.822 -4.040
157 HD2 HIS 21 HD2 HIS 21 -5.471 -3.690 -2.834
158 HE1 HIS 21 HE1 HIS 21 -6.063 -6.664 -5.706
159 H ASN 22 HN ASN 22 -9.065 -4.628 0.126
160 HA ASN 22 HA ASN 22 -11.141 -3.194 1.237
161 1HB ASN 22 HB2 ASN 22 -12.755 -5.042 1.970
162 2HB ASN 22 HB3 ASN 22 -12.864 -4.544 0.268
163 1HD2 ASN 22 HD22 ASN 22 -13.273 -8.109 -0.041
164 2HD2 ASN 22 HD21 ASN 22 -14.127 -6.661 0.376
165 H THR 23 HN THR 23 -8.722 -3.076 2.051
166 HA THR 23 HA THR 23 -8.730 -4.477 4.570
167 HB THR 23 HB THR 23 -7.452 -5.969 2.933
168 HG1 THR 23 HG1 THR 23 -7.242 -6.054 5.154
169 1HG2 THR 23 HG23 THR 23 -6.191 -4.088 1.728
170 2HG2 THR 23 HG21 THR 23 -5.233 -3.858 3.256
171 3HG2 THR 23 HG22 THR 23 -5.148 -5.412 2.371
172 H SER 24 HN SER 24 -6.627 -3.535 5.760
173 HA SER 24 HA SER 24 -6.412 -0.637 5.191
174 1HB SER 24 HB2 SER 24 -6.574 -1.991 7.957
175 2HB SER 24 HB3 SER 24 -6.219 -0.243 7.655
176 HG SER 24 HG SER 24 -8.240 -0.121 6.630
177 H ARG 25 HN ARG 25 -4.932 -3.743 5.520
178 HA ARG 25 HA ARG 25 -2.410 -2.805 6.610
179 1HB ARG 25 HB2 ARG 25 -3.604 -5.560 5.977
180 2HB ARG 25 HB3 ARG 25 -1.879 -5.341 6.426
181 1HG ARG 25 HG2 ARG 25 -3.088 -6.081 8.337
182 2HG ARG 25 HG3 ARG 25 -2.453 -4.424 8.601
183 1HD ARG 25 HD2 ARG 25 -4.705 -4.789 9.603
184 2HD ARG 25 HD3 ARG 25 -4.736 -3.467 8.377
185 HE ARG 25 HE ARG 25 -5.570 -5.269 6.704
186 1HH1 ARG 25 HH22 ARG 25 -6.396 -5.304 10.196
187 2HH1 ARG 25 HH21 ARG 25 -7.891 -6.148 9.964
188 1HH2 ARG 25 HH12 ARG 25 -7.563 -6.458 6.446
189 2HH2 ARG 25 HH11 ARG 25 -8.558 -6.808 7.820
190 H GLY 26 HN GLY 26 -1.069 -1.930 5.230
191 1HA GLY 26 HA1 GLY 26 -0.098 -3.113 2.901
192 2HA GLY 26 HA2 GLY 26 -1.415 -1.930 2.479
193 H LYS 27 HN LYS 27 1.872 -2.282 2.984
194 HA LYS 27 HA LYS 27 2.331 0.409 4.087
195 1HB LYS 27 HB2 LYS 27 4.254 -2.003 4.211
196 2HB LYS 27 HB3 LYS 27 4.391 -0.418 5.047
197 1HG LYS 27 HG2 LYS 27 2.342 -1.054 6.416
198 2HG LYS 27 HG3 LYS 27 2.302 -2.616 5.516
199 1HD LYS 27 HD2 LYS 27 3.267 -3.133 7.570
200 2HD LYS 27 HD3 LYS 27 4.622 -3.156 6.398
201 1HE LYS 27 HE2 LYS 27 3.982 -0.757 8.271
202 2HE LYS 27 HE3 LYS 27 5.080 -2.122 8.725
203 1HZ LYS 27 HZ1 LYS 27 6.481 -1.570 6.866
204 2HZ LYS 27 HZ2 LYS 27 5.460 -0.286 6.425
205 3HZ LYS 27 HZ3 LYS 27 6.283 -0.244 7.909
206 H CYS 28 HN CYS 28 5.246 -0.111 3.278
207 HA CYS 28 HA CYS 28 5.190 -0.518 0.450
208 1HB CYS 28 HB2 CYS 28 6.161 1.807 -0.114
209 2HB CYS 28 HB3 CYS 28 4.447 1.703 0.317
210 H MET 29 HN MET 29 7.454 0.017 -0.469
211 HA MET 29 HA MET 29 9.481 -1.059 1.307
212 1HB MET 29 HB2 MET 29 8.790 -2.069 -0.976
213 2HB MET 29 HB3 MET 29 9.719 -0.745 -1.716
214 1HG MET 29 HG2 MET 29 11.694 -1.524 -0.198
215 2HG MET 29 HG3 MET 29 10.653 -2.897 0.296
216 1HE MET 29 HE2 MET 29 10.008 -4.883 -1.100
217 2HE MET 29 HE3 MET 29 9.147 -3.858 -2.301
218 3HE MET 29 HE1 MET 29 10.309 -5.105 -2.857
219 H ASN 30 HN ASN 30 11.097 0.489 -1.088
220 HA ASN 30 HA ASN 30 11.660 2.823 0.503
221 1HB ASN 30 HB2 ASN 30 13.464 3.276 -1.225
222 2HB ASN 30 HB3 ASN 30 13.599 1.798 -0.240
223 1HD2 ASN 30 HD22 ASN 30 13.569 -0.477 -2.932
224 2HD2 ASN 30 HD21 ASN 30 13.655 -0.218 -1.221
225 H LYS 31 HN LYS 31 10.048 2.202 -2.591
226 HA LYS 31 HA LYS 31 9.358 5.056 -2.844
227 1HB LYS 31 HB2 LYS 31 10.952 3.349 -4.817
228 2HB LYS 31 HB3 LYS 31 10.106 4.819 -5.367
229 1HG LYS 31 HG2 LYS 31 12.267 4.819 -3.230
230 2HG LYS 31 HG3 LYS 31 12.473 5.219 -4.976
231 1HD LYS 31 HD2 LYS 31 10.793 7.088 -4.699
232 2HD LYS 31 HD3 LYS 31 10.740 6.736 -2.931
233 1HE LYS 31 HE2 LYS 31 13.213 7.232 -2.769
234 2HE LYS 31 HE3 LYS 31 13.230 7.630 -4.536
235 1HZ LYS 31 HZ2 LYS 31 11.616 9.365 -4.091
236 2HZ LYS 31 HZ3 LYS 31 11.643 9.008 -2.431
237 3HZ LYS 31 HZ1 LYS 31 13.045 9.583 -3.198
238 H LYS 32 HN LYS 32 7.923 1.947 -2.844
239 HA LYS 32 HA LYS 32 5.818 3.089 -4.502
240 1HB LYS 32 HB2 LYS 32 5.509 1.413 -5.960
241 2HB LYS 32 HB3 LYS 32 7.273 1.690 -6.048
242 1HG LYS 32 HG2 LYS 32 7.587 -0.331 -4.473
243 2HG LYS 32 HG3 LYS 32 5.818 -0.638 -4.640
244 1HD LYS 32 HD2 LYS 32 6.243 -0.501 -7.202
245 2HD LYS 32 HD3 LYS 32 7.970 -0.779 -6.777
246 1HE LYS 32 HE2 LYS 32 5.539 -2.608 -6.101
247 2HE LYS 32 HE3 LYS 32 6.831 -2.962 -7.318
248 1HZ LYS 32 HZ1 LYS 32 7.214 -2.672 -4.384
249 2HZ LYS 32 HZ2 LYS 32 7.153 -4.129 -5.255
250 3HZ LYS 32 HZ3 LYS 32 8.424 -3.034 -5.521
251 1HN ABA 33 HN ABA 33 3.741 2.270 -4.084
252 HA ABA 33 HA ABA 33 3.296 1.345 -1.433
253 1HB ABA 33 HB3 ABA 33 1.497 1.992 -3.801
254 2HB ABA 33 HB2 ABA 33 1.926 3.043 -2.424
255 1HG ABA 33 HG1 ABA 33 -0.321 2.179 -2.049
256 2HG ABA 33 HG2 ABA 33 0.211 0.472 -2.229
257 3HG ABA 33 HG3 ABA 33 0.818 1.445 -0.845
258 H ARG 34 HN ARG 34 2.627 -0.708 -0.783
259 HA ARG 34 HA ARG 34 2.225 -2.817 -2.803
260 1HB ARG 34 HB2 ARG 34 3.672 -3.185 -0.108
261 2HB ARG 34 HB3 ARG 34 3.320 -4.444 -1.343
262 1HG ARG 34 HG2 ARG 34 4.767 -2.782 -2.910
263 2HG ARG 34 HG3 ARG 34 5.431 -2.273 -1.322
264 1HD ARG 34 HD2 ARG 34 5.425 -5.062 -2.642
265 2HD ARG 34 HD3 ARG 34 6.870 -4.051 -2.202
266 HE ARG 34 HE ARG 34 5.547 -4.471 0.247
267 1HH1 ARG 34 HH22 ARG 34 6.790 -6.645 -2.300
268 2HH1 ARG 34 HH21 ARG 34 6.977 -8.003 -1.239
269 1HH2 ARG 34 HH12 ARG 34 5.805 -6.314 1.659
270 2HH2 ARG 34 HH11 ARG 34 6.410 -7.811 1.034
271 H CYS 35 HN CYS 35 1.384 -4.777 -1.048
272 HA CYS 35 HA CYS 35 -0.500 -3.716 0.793
273 1HB CYS 35 HB2 CYS 35 -1.563 -4.036 -1.709
274 2HB CYS 35 HB3 CYS 35 -1.806 -5.692 -1.106
275 H TYR 36 HN TYR 36 -0.922 -5.218 2.302
276 HA TYR 36 HA TYR 36 1.065 -7.417 2.435
277 1HB TYR 36 HB2 TYR 36 0.509 -4.982 4.156
278 2HB TYR 36 HB3 TYR 36 1.074 -6.462 5.023
279 HD1 TYR 36 HD1 TYR 36 1.956 -3.969 2.356
280 HD2 TYR 36 HD2 TYR 36 3.369 -7.038 5.011
281 HE1 TYR 36 HE1 TYR 36 4.272 -3.221 1.987
282 HE2 TYR 36 HE2 TYR 36 5.696 -6.301 4.615
283 HH TYR 36 HH TYR 36 6.429 -3.510 2.467
284 H SER 37 HN SER 37 -2.095 -6.422 2.709
285 HA SER 37 HA SER 37 -3.986 -7.239 3.177
286 1HB SER 37 HB2 SER 37 -4.579 -9.538 2.787
287 2HB SER 37 HB3 SER 37 -3.343 -8.998 1.596
288 HG SER 37 HG SER 37 -1.787 -10.029 2.922
No H/Q in entry = 288
Start of MODEL 22
1 HA PCA 1 HA PGL 1 -4.245 -8.260 -5.158
2 1HB PCA 1 HB2 PGL 1 -1.616 -9.381 -6.305
3 2HB PCA 1 HB3 PGL 1 -2.870 -10.234 -5.325
4 1HG PCA 1 HG2 PGL 1 -2.671 -10.398 -8.123
5 2HG PCA 1 HG3 PGL 1 -4.276 -10.500 -7.265
6 HN PCA 1 HN PGL 1 -3.989 -6.615 -7.119
7 H PHE 2 HN PHE 2 -1.512 -6.619 -6.779
8 HA PHE 2 HA PHE 2 -0.670 -5.353 -4.255
9 1HB PHE 2 HB2 PHE 2 1.046 -6.280 -6.668
10 2HB PHE 2 HB3 PHE 2 1.657 -5.273 -5.300
11 HD1 PHE 2 HD2 PHE 2 1.323 -6.210 -2.901
12 HD2 PHE 2 HD1 PHE 2 1.103 -8.622 -6.456
13 HE1 PHE 2 HE2 PHE 2 1.719 -8.245 -1.550
14 HE2 PHE 2 HE1 PHE 2 1.498 -10.652 -5.102
15 HZ PHE 2 HZ PHE 2 1.798 -10.469 -2.646
16 H THR 3 HN THR 3 0.237 -3.196 -4.618
17 HA THR 3 HA THR 3 -1.103 -1.731 -6.781
18 HB THR 3 HB THR 3 -0.632 0.243 -5.158
19 HG1 THR 3 HG1 THR 3 -0.098 -0.210 -3.222
20 1HG2 THR 3 HG23 THR 3 -2.635 -2.004 -4.479
21 2HG2 THR 3 HG21 THR 3 -2.710 -0.314 -3.865
22 3HG2 THR 3 HG22 THR 3 -2.860 -0.634 -5.637
23 H ASN 4 HN ASN 4 0.087 0.000 -7.805
24 HA ASN 4 HA ASN 4 3.001 -0.159 -7.696
25 1HB ASN 4 HB2 ASN 4 3.091 -0.234 -10.220
26 2HB ASN 4 HB3 ASN 4 2.533 -1.743 -9.452
27 1HD2 ASN 4 HD22 ASN 4 0.168 0.113 -12.218
28 2HD2 ASN 4 HD21 ASN 4 1.743 0.697 -11.793
29 H VAL 5 HN VAL 5 1.637 1.669 -6.358
30 HA VAL 5 HA VAL 5 1.605 4.139 -7.933
31 HB VAL 5 HB VAL 5 1.010 3.964 -4.946
32 1HG1 VAL 5 HG11 VAL 5 -0.089 5.640 -7.326
33 2HG1 VAL 5 HG12 VAL 5 -0.636 5.767 -5.614
34 3HG1 VAL 5 HG13 VAL 5 1.031 6.253 -6.052
35 1HG2 VAL 5 HG22 VAL 5 -0.800 3.012 -7.241
36 2HG2 VAL 5 HG23 VAL 5 -0.270 2.125 -5.747
37 3HG2 VAL 5 HG21 VAL 5 -1.392 3.519 -5.622
38 H SER 6 HN SER 6 2.623 5.951 -6.088
39 HA SER 6 HA SER 6 5.303 4.972 -5.328
40 1HB SER 6 HB2 SER 6 6.121 7.368 -5.601
41 2HB SER 6 HB3 SER 6 5.803 6.425 -7.083
42 HG SER 6 HG SER 6 4.020 8.292 -5.907
43 H CYS 7 HN CYS 7 5.783 5.115 -3.282
44 HA CYS 7 HA CYS 7 3.801 6.401 -1.477
45 1HB CYS 7 HB2 CYS 7 4.240 4.931 0.222
46 2HB CYS 7 HB3 CYS 7 4.237 3.946 -1.224
47 H THR 8 HN THR 8 4.759 7.170 0.671
48 HA THR 8 HA THR 8 7.359 8.512 0.393
49 HB THR 8 HB THR 8 6.417 10.336 1.922
50 HG1 THR 8 HG1 THR 8 3.993 9.317 0.838
51 1HG2 THR 8 HG23 THR 8 7.035 10.658 -0.478
52 2HG2 THR 8 HG21 THR 8 5.384 10.144 -0.986
53 3HG2 THR 8 HG22 THR 8 5.605 11.647 -0.015
54 H THR 9 HN THR 9 4.743 7.471 2.654
55 HA THR 9 HA THR 9 6.745 6.198 4.390
56 HB THR 9 HB THR 9 5.344 6.914 6.372
57 HG1 THR 9 HG1 THR 9 3.533 7.607 5.159
58 1HG2 THR 9 HG22 THR 9 7.548 7.961 5.808
59 2HG2 THR 9 HG23 THR 9 6.704 9.196 4.798
60 3HG2 THR 9 HG21 THR 9 6.403 9.122 6.571
61 H SER 10 HN SER 10 5.814 4.523 5.720
62 HA SER 10 HA SER 10 3.870 2.889 4.323
63 1HB SER 10 HB2 SER 10 5.710 2.321 6.729
64 2HB SER 10 HB3 SER 10 4.691 1.098 5.873
65 HG SER 10 HG SER 10 5.869 1.592 3.997
66 H LYS 11 HN LYS 11 2.290 4.806 5.136
67 HA LYS 11 HA LYS 11 0.600 3.831 7.133
68 1HB LYS 11 HB2 LYS 11 0.703 5.715 8.765
69 2HB LYS 11 HB3 LYS 11 2.131 4.643 8.775
70 1HG LYS 11 HG2 LYS 11 3.469 6.279 7.523
71 2HG LYS 11 HG3 LYS 11 2.076 7.415 7.444
72 1HD LYS 11 HD2 LYS 11 2.017 7.604 9.894
73 2HD LYS 11 HD3 LYS 11 3.313 6.374 10.073
74 1HE LYS 11 HE2 LYS 11 3.697 9.086 8.621
75 2HE LYS 11 HE3 LYS 11 4.112 8.779 10.357
76 1HZ LYS 11 HZ2 LYS 11 5.623 7.063 9.647
77 2HZ LYS 11 HZ3 LYS 11 5.240 7.341 8.017
78 3HZ LYS 11 HZ1 LYS 11 6.006 8.552 8.927
79 H GLU 12 HN GLU 12 1.673 6.502 4.965
80 HA GLU 12 HA GLU 12 -0.690 7.903 4.858
81 1HB GLU 12 HB2 GLU 12 1.879 8.282 4.235
82 2HB GLU 12 HB3 GLU 12 1.376 7.908 2.587
83 1HG GLU 12 HG2 GLU 12 0.146 10.065 4.448
84 2HG GLU 12 HG3 GLU 12 1.454 10.374 3.251
85 1HN ABA 13 HN ABA 13 0.444 5.107 3.040
86 HA ABA 13 HA ABA 13 -1.564 5.340 0.905
87 1HB ABA 13 HB3 ABA 13 0.758 5.337 0.229
88 2HB ABA 13 HB2 ABA 13 -0.035 3.851 -0.323
89 1HG ABA 13 HG1 ABA 13 1.083 2.609 1.629
90 2HG ABA 13 HG2 ABA 13 2.240 3.402 0.503
91 3HG ABA 13 HG3 ABA 13 1.881 4.159 2.103
92 H TRP 14 HN TRP 14 -2.444 4.536 3.498
93 HA TRP 14 HA TRP 14 -3.099 1.725 3.343
94 1HB TRP 14 HB2 TRP 14 -3.595 3.942 5.389
95 2HB TRP 14 HB3 TRP 14 -4.392 2.338 5.535
96 HD1 TRP 14 HD1 TRP 14 -0.601 2.566 4.479
97 HE1 TRP 14 HE1 TRP 14 0.629 1.081 6.104
98 HE3 TRP 14 HE3 TRP 14 -4.390 1.789 7.832
99 HZ2 TRP 14 HZ2 TRP 14 0.108 -0.280 8.555
100 HZ3 TRP 14 HZ3 TRP 14 -3.975 0.300 9.760
101 HH2 TRP 14 HH2 TRP 14 -1.770 -0.784 10.062
102 H SER 15 HN SER 15 -4.575 4.751 2.252
103 HA SER 15 HA SER 15 -7.222 3.625 2.014
104 1HB SER 15 HB2 SER 15 -7.818 5.909 1.127
105 2HB SER 15 HB3 SER 15 -7.159 5.901 2.796
106 HG SER 15 HG SER 15 -5.689 6.490 0.448
107 H VAL 16 HN VAL 16 -4.332 3.398 0.391
108 HA VAL 16 HA VAL 16 -5.422 3.232 -2.329
109 HB VAL 16 HB VAL 16 -2.576 2.895 -1.202
110 1HG1 VAL 16 HG12 VAL 16 -3.602 3.078 -4.119
111 2HG1 VAL 16 HG13 VAL 16 -1.877 3.211 -3.597
112 3HG1 VAL 16 HG11 VAL 16 -2.763 1.677 -3.345
113 1HG2 VAL 16 HG23 VAL 16 -3.971 5.291 -2.561
114 2HG2 VAL 16 HG21 VAL 16 -3.384 5.204 -0.856
115 3HG2 VAL 16 HG22 VAL 16 -2.206 5.170 -2.210
116 H CYS 17 HN CYS 17 -4.433 1.173 0.409
117 HA CYS 17 HA CYS 17 -4.764 -1.302 -0.959
118 1HB CYS 17 HB2 CYS 17 -4.675 -0.377 1.944
119 2HB CYS 17 HB3 CYS 17 -5.233 -2.039 1.628
120 H GLN 18 HN GLN 18 -7.044 1.040 0.478
121 HA GLN 18 HA GLN 18 -9.156 -0.810 0.924
122 1HB GLN 18 HB2 GLN 18 -8.415 0.994 2.475
123 2HB GLN 18 HB3 GLN 18 -8.916 2.230 1.281
124 1HG GLN 18 HG2 GLN 18 -11.289 1.485 1.487
125 2HG GLN 18 HG3 GLN 18 -10.766 0.111 2.543
126 1HE2 GLN 18 HE22 GLN 18 -11.393 2.178 5.371
127 2HE2 GLN 18 HE21 GLN 18 -11.721 0.705 4.518
128 H ARG 19 HN ARG 19 -8.375 1.798 -1.409
129 HA ARG 19 HA ARG 19 -10.988 1.889 -2.597
130 1HB ARG 19 HB2 ARG 19 -8.306 3.248 -3.129
131 2HB ARG 19 HB3 ARG 19 -9.701 3.535 -4.223
132 1HG ARG 19 HG2 ARG 19 -10.186 3.940 -1.258
133 2HG ARG 19 HG3 ARG 19 -9.144 5.113 -2.127
134 1HD ARG 19 HD2 ARG 19 -11.519 5.865 -2.092
135 2HD ARG 19 HD3 ARG 19 -10.875 5.603 -3.776
136 HE ARG 19 HE ARG 19 -12.039 3.152 -3.129
137 1HH1 ARG 19 HH12 ARG 19 -13.286 6.505 -3.210
138 2HH1 ARG 19 HH11 ARG 19 -14.870 6.033 -3.732
139 1HH2 ARG 19 HH22 ARG 19 -14.156 2.554 -3.837
140 2HH2 ARG 19 HH21 ARG 19 -15.372 3.763 -4.092
141 H LEU 20 HN LEU 20 -8.113 0.037 -3.117
142 HA LEU 20 HA LEU 20 -8.624 -0.667 -5.887
143 1HB LEU 20 HB2 LEU 20 -6.460 -0.967 -3.801
144 2HB LEU 20 HB3 LEU 20 -6.501 -2.234 -5.075
145 HG LEU 20 HG LEU 20 -4.940 -0.393 -5.410
146 1HD1 LEU 20 HD13 LEU 20 -5.628 -1.885 -7.257
147 2HD1 LEU 20 HD11 LEU 20 -6.996 -0.785 -7.675
148 3HD1 LEU 20 HD12 LEU 20 -5.293 -0.225 -7.876
149 1HD2 LEU 20 HD22 LEU 20 -6.296 1.597 -4.716
150 2HD2 LEU 20 HD23 LEU 20 -5.564 1.785 -6.350
151 3HD2 LEU 20 HD21 LEU 20 -7.317 1.405 -6.191
152 H HIS 21 HN HIS 21 -8.077 -2.376 -2.755
153 HA HIS 21 HA HIS 21 -9.765 -4.617 -3.622
154 1HB HIS 21 HB2 HIS 21 -7.585 -4.441 -1.473
155 2HB HIS 21 HB3 HIS 21 -8.463 -5.937 -1.988
156 HD1 HIS 21 HD1 HIS 21 -7.958 -6.537 -4.679
157 HD2 HIS 21 HD2 HIS 21 -5.395 -3.735 -2.898
158 HE1 HIS 21 HE1 HIS 21 -5.908 -6.269 -6.181
159 H ASN 22 HN ASN 22 -9.055 -4.455 -0.321
160 HA ASN 22 HA ASN 22 -11.133 -2.984 0.772
161 1HB ASN 22 HB2 ASN 22 -12.769 -4.784 1.493
162 2HB ASN 22 HB3 ASN 22 -12.836 -4.375 -0.235
163 1HD2 ASN 22 HD22 ASN 22 -13.246 -8.018 -0.091
164 2HD2 ASN 22 HD21 ASN 22 -14.092 -6.591 0.409
165 H THR 23 HN THR 23 -8.729 -2.873 1.587
166 HA THR 23 HA THR 23 -8.497 -4.458 4.006
167 HB THR 23 HB THR 23 -7.331 -6.018 2.826
168 HG1 THR 23 HG1 THR 23 -5.303 -4.113 3.301
169 1HG2 THR 23 HG21 THR 23 -6.192 -3.847 0.977
170 2HG2 THR 23 HG22 THR 23 -5.750 -5.595 0.968
171 3HG2 THR 23 HG23 THR 23 -7.428 -5.110 0.577
172 H SER 24 HN SER 24 -6.916 -3.554 5.456
173 HA SER 24 HA SER 24 -6.312 -0.709 5.042
174 1HB SER 24 HB2 SER 24 -7.382 -2.057 7.608
175 2HB SER 24 HB3 SER 24 -6.781 -0.355 7.491
176 HG SER 24 HG SER 24 -8.411 0.000 5.953
177 H ARG 25 HN ARG 25 -5.222 -3.913 5.467
178 HA ARG 25 HA ARG 25 -2.896 -3.237 7.062
179 1HB ARG 25 HB2 ARG 25 -2.336 -5.687 6.942
180 2HB ARG 25 HB3 ARG 25 -3.743 -5.210 7.924
181 1HG ARG 25 HG2 ARG 25 -4.142 -6.185 5.059
182 2HG ARG 25 HG3 ARG 25 -3.887 -7.335 6.402
183 1HD ARG 25 HD2 ARG 25 -5.851 -6.728 7.570
184 2HD ARG 25 HD3 ARG 25 -6.040 -5.174 6.660
185 HE ARG 25 HE ARG 25 -6.310 -6.798 4.561
186 1HH1 ARG 25 HH12 ARG 25 -7.784 -7.107 7.812
187 2HH1 ARG 25 HH11 ARG 25 -9.246 -7.820 7.216
188 1HH2 ARG 25 HH22 ARG 25 -8.237 -7.838 3.809
189 2HH2 ARG 25 HH21 ARG 25 -9.506 -8.240 4.917
190 H GLY 26 HN GLY 26 -1.205 -2.477 6.053
191 1HA GLY 26 HA1 GLY 26 -0.196 -3.397 3.567
192 2HA GLY 26 HA2 GLY 26 -1.102 -1.825 3.465
193 H LYS 27 HN LYS 27 1.701 -2.021 2.977
194 HA LYS 27 HA LYS 27 2.571 -0.014 4.851
195 1HB LYS 27 HB2 LYS 27 4.405 -2.430 4.236
196 2HB LYS 27 HB3 LYS 27 4.877 -0.937 5.107
197 1HG LYS 27 HG2 LYS 27 3.264 -1.484 6.925
198 2HG LYS 27 HG3 LYS 27 2.865 -3.028 6.084
199 1HD LYS 27 HD2 LYS 27 5.214 -3.795 6.302
200 2HD LYS 27 HD3 LYS 27 5.674 -2.226 7.050
201 1HE LYS 27 HE2 LYS 27 5.393 -3.986 8.800
202 2HE LYS 27 HE3 LYS 27 4.154 -2.679 8.997
203 1HZ LYS 27 HZ2 LYS 27 2.574 -4.092 7.860
204 2HZ LYS 27 HZ3 LYS 27 3.732 -5.324 7.702
205 3HZ LYS 27 HZ1 LYS 27 3.204 -4.847 9.244
206 H CYS 28 HN CYS 28 5.232 -0.160 3.455
207 HA CYS 28 HA CYS 28 4.792 -0.302 0.674
208 1HB CYS 28 HB2 CYS 28 4.709 1.993 0.023
209 2HB CYS 28 HB3 CYS 28 3.950 2.144 1.587
210 H MET 29 HN MET 29 7.040 0.517 -0.377
211 HA MET 29 HA MET 29 9.034 -0.991 1.167
212 1HB MET 29 HB2 MET 29 8.043 -1.827 -1.079
213 2HB MET 29 HB3 MET 29 9.058 -0.587 -1.858
214 1HG MET 29 HG2 MET 29 11.079 -1.661 -0.688
215 2HG MET 29 HG3 MET 29 9.964 -2.842 0.062
216 1HE MET 29 HE2 MET 29 12.532 -3.640 -1.378
217 2HE MET 29 HE3 MET 29 11.342 -4.779 -0.659
218 3HE MET 29 HE1 MET 29 11.977 -5.071 -2.314
219 H ASN 30 HN ASN 30 10.774 0.314 -1.177
220 HA ASN 30 HA ASN 30 11.627 2.601 0.339
221 1HB ASN 30 HB2 ASN 30 13.499 2.752 -1.338
222 2HB ASN 30 HB3 ASN 30 13.387 1.239 -0.402
223 1HD2 ASN 30 HD22 ASN 30 13.239 1.101 -4.488
224 2HD2 ASN 30 HD21 ASN 30 13.452 2.582 -3.615
225 H LYS 31 HN LYS 31 9.907 2.078 -2.722
226 HA LYS 31 HA LYS 31 9.502 4.986 -3.000
227 1HB LYS 31 HB2 LYS 31 10.529 3.023 -5.112
228 2HB LYS 31 HB3 LYS 31 9.913 4.651 -5.520
229 1HG LYS 31 HG2 LYS 31 11.675 5.776 -4.303
230 2HG LYS 31 HG3 LYS 31 12.305 4.221 -3.670
231 1HD LYS 31 HD2 LYS 31 13.736 4.900 -5.455
232 2HD LYS 31 HD3 LYS 31 12.813 3.442 -5.969
233 1HE LYS 31 HE2 LYS 31 11.301 4.886 -7.374
234 2HE LYS 31 HE3 LYS 31 12.176 6.365 -6.802
235 1HZ LYS 31 HZ1 LYS 31 13.370 4.102 -8.317
236 2HZ LYS 31 HZ2 LYS 31 12.929 5.616 -8.948
237 3HZ LYS 31 HZ3 LYS 31 14.176 5.503 -7.798
238 H LYS 32 HN LYS 32 7.748 1.916 -2.784
239 HA LYS 32 HA LYS 32 5.664 3.084 -4.466
240 1HB LYS 32 HB2 LYS 32 5.287 1.238 -5.747
241 2HB LYS 32 HB3 LYS 32 7.034 1.556 -5.926
242 1HG LYS 32 HG2 LYS 32 7.547 -0.339 -4.350
243 2HG LYS 32 HG3 LYS 32 5.781 -0.635 -4.140
244 1HD LYS 32 HD2 LYS 32 5.590 -0.806 -6.663
245 2HD LYS 32 HD3 LYS 32 7.386 -0.955 -6.700
246 1HE LYS 32 HE2 LYS 32 7.225 -3.021 -5.239
247 2HE LYS 32 HE3 LYS 32 5.434 -2.787 -5.109
248 1HZ LYS 32 HZ2 LYS 32 5.271 -3.088 -7.483
249 2HZ LYS 32 HZ3 LYS 32 6.948 -3.337 -7.606
250 3HZ LYS 32 HZ1 LYS 32 5.987 -4.431 -6.731
251 1HN ABA 33 HN ABA 33 3.585 2.081 -4.084
252 HA ABA 33 HA ABA 33 3.150 1.451 -1.312
253 1HB ABA 33 HB3 ABA 33 1.231 1.791 -3.673
254 2HB ABA 33 HB2 ABA 33 1.773 3.062 -2.523
255 1HG ABA 33 HG1 ABA 33 -0.408 2.321 -1.806
256 2HG ABA 33 HG2 ABA 33 0.097 0.591 -1.740
257 3HG ABA 33 HG3 ABA 33 0.839 1.786 -0.614
258 H ARG 34 HN ARG 34 2.309 -0.547 -0.556
259 HA ARG 34 HA ARG 34 1.948 -2.780 -2.377
260 1HB ARG 34 HB2 ARG 34 3.910 -2.937 0.001
261 2HB ARG 34 HB3 ARG 34 3.256 -4.338 -0.921
262 1HG ARG 34 HG2 ARG 34 4.241 -2.965 -3.010
263 2HG ARG 34 HG3 ARG 34 5.345 -2.312 -1.754
264 1HD ARG 34 HD2 ARG 34 4.805 -5.288 -2.444
265 2HD ARG 34 HD3 ARG 34 6.259 -4.337 -2.971
266 HE ARG 34 HE ARG 34 6.612 -4.013 -0.369
267 1HH1 ARG 34 HH22 ARG 34 5.443 -7.009 -1.944
268 2HH1 ARG 34 HH21 ARG 34 6.294 -8.059 -0.860
269 1HH2 ARG 34 HH12 ARG 34 7.751 -5.456 1.053
270 2HH2 ARG 34 HH11 ARG 34 7.615 -7.174 0.851
271 H CYS 35 HN CYS 35 1.146 -4.702 -0.757
272 HA CYS 35 HA CYS 35 -0.549 -3.664 1.277
273 1HB CYS 35 HB2 CYS 35 -1.739 -3.436 -1.110
274 2HB CYS 35 HB3 CYS 35 -2.023 -5.186 -0.936
275 H TYR 36 HN TYR 36 -1.148 -5.256 2.631
276 HA TYR 36 HA TYR 36 0.565 -7.682 2.538
277 1HB TYR 36 HB2 TYR 36 0.356 -5.333 4.469
278 2HB TYR 36 HB3 TYR 36 0.929 -6.926 5.121
279 HD1 TYR 36 HD1 TYR 36 1.568 -4.222 2.691
280 HD2 TYR 36 HD2 TYR 36 3.183 -7.628 4.708
281 HE1 TYR 36 HE1 TYR 36 3.823 -3.424 2.167
282 HE2 TYR 36 HE2 TYR 36 5.480 -6.868 4.165
283 HH TYR 36 HH TYR 36 6.044 -3.773 2.402
284 H SER 37 HN SER 37 -2.078 -7.504 1.854
285 HA SER 37 HA SER 37 -3.785 -8.299 4.046
286 1HB SER 37 HB2 SER 37 -4.598 -7.031 2.020
287 2HB SER 37 HB3 SER 37 -4.327 -8.505 1.029
288 HG SER 37 HG SER 37 -6.001 -8.236 3.317
No H/Q in entry = 288
Start of MODEL 23
1 HA PCA 1 HA PGL 1 -4.220 -7.283 -6.829
2 1HB PCA 1 HB2 PGL 1 -4.249 -8.722 -4.348
3 2HB PCA 1 HB3 PGL 1 -5.261 -9.054 -5.785
4 1HG PCA 1 HG2 PGL 1 -2.723 -10.498 -4.929
5 2HG PCA 1 HG3 PGL 1 -4.213 -11.147 -5.754
6 HN PCA 1 HN PGL 1 -2.428 -8.278 -8.113
7 H PHE 2 HN PHE 2 -1.609 -6.513 -7.333
8 HA PHE 2 HA PHE 2 -0.470 -5.547 -4.791
9 1HB PHE 2 HB2 PHE 2 0.932 -6.100 -7.500
10 2HB PHE 2 HB3 PHE 2 1.728 -5.579 -5.963
11 HD1 PHE 2 HD2 PHE 2 1.111 -7.168 -3.862
12 HD2 PHE 2 HD1 PHE 2 1.014 -8.363 -7.994
13 HE1 PHE 2 HE2 PHE 2 1.325 -9.537 -3.188
14 HE2 PHE 2 HE1 PHE 2 1.237 -10.729 -7.313
15 HZ PHE 2 HZ PHE 2 1.387 -11.322 -4.909
16 H THR 3 HN THR 3 0.637 -3.399 -5.034
17 HA THR 3 HA THR 3 -0.696 -1.620 -6.964
18 HB THR 3 HB THR 3 -0.091 0.153 -5.168
19 HG1 THR 3 HG1 THR 3 0.489 -0.500 -3.332
20 1HG2 THR 3 HG23 THR 3 -2.382 -0.578 -5.739
21 2HG2 THR 3 HG21 THR 3 -2.262 -1.971 -4.593
22 3HG2 THR 3 HG22 THR 3 -2.207 -0.280 -3.969
23 H ASN 4 HN ASN 4 0.593 0.016 -7.895
24 HA ASN 4 HA ASN 4 3.485 -0.160 -7.662
25 1HB ASN 4 HB2 ASN 4 3.658 -0.153 -10.225
26 2HB ASN 4 HB3 ASN 4 3.236 -1.708 -9.464
27 1HD2 ASN 4 HD22 ASN 4 0.054 -2.068 -10.998
28 2HD2 ASN 4 HD21 ASN 4 1.152 -2.642 -9.786
29 H VAL 5 HN VAL 5 2.165 1.633 -6.356
30 HA VAL 5 HA VAL 5 1.964 4.114 -7.908
31 HB VAL 5 HB VAL 5 1.392 3.771 -4.925
32 1HG1 VAL 5 HG12 VAL 5 0.312 5.650 -7.157
33 2HG1 VAL 5 HG13 VAL 5 -0.310 5.582 -5.468
34 3HG1 VAL 5 HG11 VAL 5 1.357 6.149 -5.774
35 1HG2 VAL 5 HG21 VAL 5 -0.438 3.058 -7.299
36 2HG2 VAL 5 HG22 VAL 5 0.115 1.987 -5.947
37 3HG2 VAL 5 HG23 VAL 5 -0.998 3.350 -5.612
38 H SER 6 HN SER 6 2.920 5.933 -6.022
39 HA SER 6 HA SER 6 5.645 5.059 -5.292
40 1HB SER 6 HB2 SER 6 6.399 7.477 -5.611
41 2HB SER 6 HB3 SER 6 6.126 6.490 -7.072
42 HG SER 6 HG SER 6 4.063 7.461 -7.243
43 H CYS 7 HN CYS 7 6.106 5.247 -3.251
44 HA CYS 7 HA CYS 7 4.105 6.593 -1.490
45 1HB CYS 7 HB2 CYS 7 4.325 5.005 0.141
46 2HB CYS 7 HB3 CYS 7 4.428 4.067 -1.325
47 H THR 8 HN THR 8 5.073 7.263 0.697
48 HA THR 8 HA THR 8 7.887 8.032 0.619
49 HB THR 8 HB THR 8 7.377 10.059 2.055
50 HG1 THR 8 HG1 THR 8 5.167 9.558 2.393
51 1HG2 THR 8 HG23 THR 8 8.155 10.177 -0.322
52 2HG2 THR 8 HG21 THR 8 6.443 10.150 -0.888
53 3HG2 THR 8 HG22 THR 8 7.044 11.528 0.105
54 H THR 9 HN THR 9 4.882 7.676 2.620
55 HA THR 9 HA THR 9 6.438 6.150 4.614
56 HB THR 9 HB THR 9 4.783 7.050 6.326
57 HG1 THR 9 HG1 THR 9 4.353 8.935 4.243
58 1HG2 THR 9 HG23 THR 9 7.162 7.812 6.124
59 2HG2 THR 9 HG21 THR 9 6.651 9.094 4.960
60 3HG2 THR 9 HG22 THR 9 6.053 9.127 6.661
61 H SER 10 HN SER 10 5.362 4.462 5.627
62 HA SER 10 HA SER 10 3.198 3.186 4.168
63 1HB SER 10 HB2 SER 10 3.764 1.191 5.634
64 2HB SER 10 HB3 SER 10 5.063 1.751 4.532
65 HG SER 10 HG SER 10 5.809 1.290 6.593
66 H LYS 11 HN LYS 11 1.716 4.928 4.847
67 HA LYS 11 HA LYS 11 0.063 4.211 6.972
68 1HB LYS 11 HB2 LYS 11 1.829 5.395 8.385
69 2HB LYS 11 HB3 LYS 11 1.629 6.856 7.379
70 1HG LYS 11 HG2 LYS 11 0.435 7.132 9.476
71 2HG LYS 11 HG3 LYS 11 -0.782 7.001 8.168
72 1HD LYS 11 HD2 LYS 11 -1.070 4.518 8.803
73 2HD LYS 11 HD3 LYS 11 0.078 4.799 10.156
74 1HE LYS 11 HE2 LYS 11 -2.236 4.875 11.004
75 2HE LYS 11 HE3 LYS 11 -1.551 6.549 11.089
76 1HZ LYS 11 HZ1 LYS 11 -2.679 7.030 9.007
77 2HZ LYS 11 HZ2 LYS 11 -3.326 5.461 8.964
78 3HZ LYS 11 HZ3 LYS 11 -3.770 6.527 10.209
79 H GLU 12 HN GLU 12 1.344 6.759 4.774
80 HA GLU 12 HA GLU 12 -0.799 8.199 4.111
81 1HB GLU 12 HB2 GLU 12 1.733 8.425 3.790
82 2HB GLU 12 HB3 GLU 12 1.622 7.349 2.381
83 1HG GLU 12 HG2 GLU 12 -0.023 9.067 1.349
84 2HG GLU 12 HG3 GLU 12 0.283 10.085 2.815
85 1HN ABA 13 HN ABA 13 0.368 5.175 2.693
86 HA ABA 13 HA ABA 13 -1.516 5.226 0.445
87 1HB ABA 13 HB3 ABA 13 0.828 5.227 -0.131
88 2HB ABA 13 HB2 ABA 13 0.101 3.677 -0.595
89 1HG ABA 13 HG1 ABA 13 1.888 4.228 1.886
90 2HG ABA 13 HG2 ABA 13 1.151 2.625 1.495
91 3HG ABA 13 HG3 ABA 13 2.347 3.360 0.369
92 H TRP 14 HN TRP 14 -2.215 4.413 3.267
93 HA TRP 14 HA TRP 14 -3.006 1.642 2.995
94 1HB TRP 14 HB2 TRP 14 -3.407 3.726 5.207
95 2HB TRP 14 HB3 TRP 14 -4.135 2.082 5.275
96 HD1 TRP 14 HD1 TRP 14 -0.423 2.440 4.040
97 HE1 TRP 14 HE1 TRP 14 0.919 0.973 5.563
98 HE3 TRP 14 HE3 TRP 14 -4.002 1.518 7.581
99 HZ2 TRP 14 HZ2 TRP 14 0.633 -0.287 8.120
100 HZ3 TRP 14 HZ3 TRP 14 -3.405 0.125 9.532
101 HH2 TRP 14 HH2 TRP 14 -1.128 -0.807 9.769
102 H SER 15 HN SER 15 -4.424 4.849 2.314
103 HA SER 15 HA SER 15 -7.112 3.845 2.055
104 1HB SER 15 HB2 SER 15 -7.627 6.258 1.489
105 2HB SER 15 HB3 SER 15 -6.934 5.983 3.119
106 HG SER 15 HG SER 15 -5.992 7.726 2.078
107 H VAL 16 HN VAL 16 -4.396 3.400 0.325
108 HA VAL 16 HA VAL 16 -5.612 3.624 -2.340
109 HB VAL 16 HB VAL 16 -2.798 2.772 -1.465
110 1HG1 VAL 16 HG13 VAL 16 -4.045 3.226 -4.267
111 2HG1 VAL 16 HG11 VAL 16 -2.282 3.044 -3.930
112 3HG1 VAL 16 HG12 VAL 16 -3.387 1.669 -3.627
113 1HG2 VAL 16 HG22 VAL 16 -3.886 5.381 -2.716
114 2HG2 VAL 16 HG23 VAL 16 -3.234 5.198 -1.044
115 3HG2 VAL 16 HG21 VAL 16 -2.147 4.985 -2.458
116 H CYS 17 HN CYS 17 -4.440 1.141 0.057
117 HA CYS 17 HA CYS 17 -5.435 -0.997 -1.649
118 1HB CYS 17 HB2 CYS 17 -3.925 -0.807 0.989
119 2HB CYS 17 HB3 CYS 17 -4.731 -2.353 0.605
120 H GLN 18 HN GLN 18 -7.052 1.099 0.549
121 HA GLN 18 HA GLN 18 -8.948 -0.827 1.511
122 1HB GLN 18 HB2 GLN 18 -7.960 1.034 2.869
123 2HB GLN 18 HB3 GLN 18 -8.779 2.227 1.814
124 1HG GLN 18 HG2 GLN 18 -11.000 1.307 2.525
125 2HG GLN 18 HG3 GLN 18 -10.156 -0.015 3.427
126 1HE2 GLN 18 HE22 GLN 18 -9.949 3.937 4.868
127 2HE2 GLN 18 HE21 GLN 18 -10.109 3.636 3.169
128 H ARG 19 HN ARG 19 -8.688 1.809 -0.892
129 HA ARG 19 HA ARG 19 -11.451 1.700 -1.705
130 1HB ARG 19 HB2 ARG 19 -9.040 3.346 -2.592
131 2HB ARG 19 HB3 ARG 19 -10.682 3.523 -3.300
132 1HG ARG 19 HG2 ARG 19 -10.886 3.605 -0.367
133 2HG ARG 19 HG3 ARG 19 -9.628 4.746 -0.930
134 1HD ARG 19 HD2 ARG 19 -11.808 5.892 -0.834
135 2HD ARG 19 HD3 ARG 19 -11.231 5.745 -2.559
136 HE ARG 19 HE ARG 19 -12.973 3.512 -1.660
137 1HH1 ARG 19 HH22 ARG 19 -12.997 6.819 -3.022
138 2HH1 ARG 19 HH21 ARG 19 -14.556 6.642 -3.759
139 1HH2 ARG 19 HH12 ARG 19 -15.067 3.303 -2.664
140 2HH2 ARG 19 HH11 ARG 19 -15.741 4.630 -3.553
141 H LEU 20 HN LEU 20 -8.554 -0.008 -2.533
142 HA LEU 20 HA LEU 20 -9.205 -0.598 -5.280
143 1HB LEU 20 HB2 LEU 20 -6.882 -0.651 -3.426
144 2HB LEU 20 HB3 LEU 20 -6.958 -2.153 -4.368
145 HG LEU 20 HG LEU 20 -6.997 -1.073 -6.407
146 1HD1 LEU 20 HD13 LEU 20 -8.142 1.112 -6.029
147 2HD1 LEU 20 HD11 LEU 20 -6.772 1.677 -5.004
148 3HD1 LEU 20 HD12 LEU 20 -6.529 1.392 -6.763
149 1HD2 LEU 20 HD21 LEU 20 -4.832 -1.651 -5.386
150 2HD2 LEU 20 HD22 LEU 20 -4.651 -0.203 -6.447
151 3HD2 LEU 20 HD23 LEU 20 -4.711 -0.006 -4.656
152 H HIS 21 HN HIS 21 -8.375 -2.474 -2.337
153 HA HIS 21 HA HIS 21 -9.859 -4.792 -3.301
154 1HB HIS 21 HB2 HIS 21 -7.634 -4.436 -1.205
155 2HB HIS 21 HB3 HIS 21 -8.389 -6.010 -1.662
156 HD1 HIS 21 HD1 HIS 21 -7.867 -6.822 -4.186
157 HD2 HIS 21 HD2 HIS 21 -5.681 -3.436 -3.001
158 HE1 HIS 21 HE1 HIS 21 -5.956 -6.473 -5.844
159 H ASN 22 HN ASN 22 -9.132 -4.737 0.004
160 HA ASN 22 HA ASN 22 -11.284 -3.435 1.166
161 1HB ASN 22 HB2 ASN 22 -12.721 -5.521 1.882
162 2HB ASN 22 HB3 ASN 22 -12.978 -4.807 0.279
163 1HD2 ASN 22 HD22 ASN 22 -11.280 -8.617 0.469
164 2HD2 ASN 22 HD21 ASN 22 -11.108 -7.553 1.825
165 H THR 23 HN THR 23 -8.830 -3.204 1.946
166 HA THR 23 HA THR 23 -8.712 -4.737 4.397
167 HB THR 23 HB THR 23 -7.445 -6.065 2.609
168 HG1 THR 23 HG1 THR 23 -7.227 -6.325 4.805
169 1HG2 THR 23 HG23 THR 23 -6.213 -4.161 1.492
170 2HG2 THR 23 HG21 THR 23 -5.317 -3.869 3.042
171 3HG2 THR 23 HG22 THR 23 -5.107 -5.418 2.180
172 H SER 24 HN SER 24 -6.685 -3.870 5.638
173 HA SER 24 HA SER 24 -6.172 -1.069 5.221
174 1HB SER 24 HB2 SER 24 -6.866 -0.340 7.521
175 2HB SER 24 HB3 SER 24 -8.246 -0.769 6.464
176 HG SER 24 HG SER 24 -7.121 -2.306 8.550
177 H ARG 25 HN ARG 25 -4.954 -3.829 5.194
178 HA ARG 25 HA ARG 25 -2.656 -3.202 6.928
179 1HB ARG 25 HB2 ARG 25 -3.416 -5.975 5.826
180 2HB ARG 25 HB3 ARG 25 -1.917 -5.545 6.710
181 1HG ARG 25 HG2 ARG 25 -3.156 -6.618 8.320
182 2HG ARG 25 HG3 ARG 25 -3.400 -4.884 8.706
183 1HD ARG 25 HD2 ARG 25 -5.535 -6.227 8.932
184 2HD ARG 25 HD3 ARG 25 -5.674 -4.976 7.644
185 HE ARG 25 HE ARG 25 -5.577 -6.624 5.939
186 1HH1 ARG 25 HH22 ARG 25 -5.173 -8.187 9.139
187 2HH1 ARG 25 HH21 ARG 25 -5.393 -9.794 8.525
188 1HH2 ARG 25 HH12 ARG 25 -5.919 -8.786 5.158
189 2HH2 ARG 25 HH11 ARG 25 -5.821 -10.134 6.238
190 H GLY 26 HN GLY 26 -0.999 -2.554 5.785
191 1HA GLY 26 HA1 GLY 26 -0.407 -3.298 3.112
192 2HA GLY 26 HA2 GLY 26 -1.178 -1.647 3.265
193 H LYS 27 HN LYS 27 1.549 -2.102 2.457
194 HA LYS 27 HA LYS 27 2.829 -0.486 4.498
195 1HB LYS 27 HB2 LYS 27 3.362 -3.266 4.387
196 2HB LYS 27 HB3 LYS 27 4.757 -2.554 3.524
197 1HG LYS 27 HG2 LYS 27 5.147 -1.082 5.472
198 2HG LYS 27 HG3 LYS 27 3.714 -1.816 6.309
199 1HD LYS 27 HD2 LYS 27 6.078 -3.557 5.400
200 2HD LYS 27 HD3 LYS 27 6.167 -2.576 6.899
201 1HE LYS 27 HE2 LYS 27 5.509 -4.803 7.560
202 2HE LYS 27 HE3 LYS 27 4.097 -3.701 7.800
203 1HZ LYS 27 HZ1 LYS 27 3.203 -4.529 5.710
204 2HZ LYS 27 HZ2 LYS 27 4.520 -5.587 5.541
205 3HZ LYS 27 HZ3 LYS 27 3.446 -5.771 6.843
206 H CYS 28 HN CYS 28 5.233 -0.228 3.319
207 HA CYS 28 HA CYS 28 5.104 -0.147 0.492
208 1HB CYS 28 HB2 CYS 28 4.578 2.180 0.167
209 2HB CYS 28 HB3 CYS 28 4.035 2.142 1.830
210 H MET 29 HN MET 29 7.318 0.320 -0.309
211 HA MET 29 HA MET 29 9.204 -0.768 1.649
212 1HB MET 29 HB2 MET 29 8.502 -1.960 -0.529
213 2HB MET 29 HB3 MET 29 9.618 -0.835 -1.350
214 1HG MET 29 HG2 MET 29 11.344 -1.653 0.530
215 2HG MET 29 HG3 MET 29 10.088 -2.879 0.911
216 1HE MET 29 HE3 MET 29 12.670 -1.464 -1.711
217 2HE MET 29 HE1 MET 29 12.541 -2.600 -3.098
218 3HE MET 29 HE2 MET 29 11.194 -1.471 -2.743
219 H ASN 30 HN ASN 30 11.051 0.396 -0.835
220 HA ASN 30 HA ASN 30 11.827 2.730 0.666
221 1HB ASN 30 HB2 ASN 30 13.750 2.938 -0.810
222 2HB ASN 30 HB3 ASN 30 13.591 1.320 -0.065
223 1HD2 ASN 30 HD22 ASN 30 14.751 0.678 -3.479
224 2HD2 ASN 30 HD21 ASN 30 15.327 1.401 -2.014
225 H LYS 31 HN LYS 31 10.182 2.139 -2.386
226 HA LYS 31 HA LYS 31 9.919 5.039 -2.884
227 1HB LYS 31 HB2 LYS 31 10.730 2.816 -4.829
228 2HB LYS 31 HB3 LYS 31 10.289 4.478 -5.343
229 1HG LYS 31 HG2 LYS 31 12.119 5.448 -4.035
230 2HG LYS 31 HG3 LYS 31 12.642 3.808 -3.506
231 1HD LYS 31 HD2 LYS 31 13.004 3.135 -5.877
232 2HD LYS 31 HD3 LYS 31 12.542 4.793 -6.416
233 1HE LYS 31 HE2 LYS 31 14.482 5.753 -5.106
234 2HE LYS 31 HE3 LYS 31 14.947 4.081 -4.586
235 1HZ LYS 31 HZ2 LYS 31 14.825 5.067 -7.391
236 2HZ LYS 31 HZ3 LYS 31 16.226 4.862 -6.451
237 3HZ LYS 31 HZ1 LYS 31 15.291 3.512 -6.886
238 H LYS 32 HN LYS 32 8.138 1.881 -2.855
239 HA LYS 32 HA LYS 32 5.998 3.178 -4.391
240 1HB LYS 32 HB2 LYS 32 5.577 1.326 -5.671
241 2HB LYS 32 HB3 LYS 32 7.300 1.723 -5.915
242 1HG LYS 32 HG2 LYS 32 7.991 -0.166 -4.460
243 2HG LYS 32 HG3 LYS 32 6.272 -0.532 -4.068
244 1HD LYS 32 HD2 LYS 32 5.792 -0.803 -6.515
245 2HD LYS 32 HD3 LYS 32 7.569 -0.782 -6.815
246 1HE LYS 32 HE2 LYS 32 7.829 -2.808 -5.314
247 2HE LYS 32 HE3 LYS 32 6.053 -2.769 -4.960
248 1HZ LYS 32 HZ2 LYS 32 5.653 -3.106 -7.320
249 2HZ LYS 32 HZ3 LYS 32 7.324 -3.222 -7.608
250 3HZ LYS 32 HZ1 LYS 32 6.549 -4.371 -6.625
251 1HN ABA 33 HN ABA 33 3.923 1.908 -4.156
252 HA ABA 33 HA ABA 33 3.414 1.331 -1.367
253 1HB ABA 33 HB3 ABA 33 1.561 1.580 -3.792
254 2HB ABA 33 HB2 ABA 33 2.034 2.891 -2.658
255 1HG ABA 33 HG1 ABA 33 -0.146 2.105 -1.989
256 2HG ABA 33 HG2 ABA 33 0.416 0.396 -1.852
257 3HG ABA 33 HG3 ABA 33 1.091 1.657 -0.746
258 H ARG 34 HN ARG 34 2.573 -0.726 -0.672
259 HA ARG 34 HA ARG 34 2.320 -2.873 -2.638
260 1HB ARG 34 HB2 ARG 34 4.619 -2.944 -1.333
261 2HB ARG 34 HB3 ARG 34 3.633 -3.504 0.045
262 1HG ARG 34 HG2 ARG 34 2.708 -5.322 -1.619
263 2HG ARG 34 HG3 ARG 34 3.980 -4.793 -2.752
264 1HD ARG 34 HD2 ARG 34 4.513 -5.780 0.148
265 2HD ARG 34 HD3 ARG 34 4.431 -6.872 -1.280
266 HE ARG 34 HE ARG 34 6.431 -6.023 -2.156
267 1HH1 ARG 34 HH22 ARG 34 5.649 -4.229 0.851
268 2HH1 ARG 34 HH21 ARG 34 7.278 -3.690 1.084
269 1HH2 ARG 34 HH12 ARG 34 8.572 -5.311 -1.801
270 2HH2 ARG 34 HH11 ARG 34 8.957 -4.309 -0.441
271 H CYS 35 HN CYS 35 1.297 -4.805 -1.102
272 HA CYS 35 HA CYS 35 -0.907 -3.737 0.430
273 1HB CYS 35 HB2 CYS 35 -1.203 -3.969 -2.309
274 2HB CYS 35 HB3 CYS 35 -1.637 -5.628 -1.881
275 H TYR 36 HN TYR 36 -1.730 -5.336 1.700
276 HA TYR 36 HA TYR 36 -0.315 -7.911 1.894
277 1HB TYR 36 HB2 TYR 36 -0.101 -5.549 3.852
278 2HB TYR 36 HB3 TYR 36 0.074 -7.245 4.468
279 HD1 TYR 36 HD1 TYR 36 1.693 -8.759 2.965
280 HD2 TYR 36 HD2 TYR 36 1.907 -4.493 3.345
281 HE1 TYR 36 HE1 TYR 36 4.129 -8.840 2.528
282 HE2 TYR 36 HE2 TYR 36 4.343 -4.558 2.915
283 HH TYR 36 HH TYR 36 6.043 -7.681 2.372
284 H SER 37 HN SER 37 -2.585 -8.131 1.014
285 HA SER 37 HA SER 37 -4.703 -7.978 3.006
286 1HB SER 37 HB2 SER 37 -6.187 -8.754 1.151
287 2HB SER 37 HB3 SER 37 -5.301 -7.235 0.768
288 HG SER 37 HG SER 37 -5.263 -8.700 -0.929
No H/Q in entry = 288
Start of MODEL 24
1 HA PCA 1 HA PGL 1 -3.078 -7.668 -4.706
2 1HB PCA 1 HB2 PGL 1 -3.411 -6.580 -2.079
3 2HB PCA 1 HB3 PGL 1 -4.534 -7.683 -2.929
4 1HG PCA 1 HG2 PGL 1 -2.493 -8.411 -0.799
5 2HG PCA 1 HG3 PGL 1 -4.136 -9.125 -1.136
6 HN PCA 1 HN PGL 1 -1.678 -9.614 -4.409
7 H PHE 2 HN PHE 2 -1.822 -6.085 -5.616
8 HA PHE 2 HA PHE 2 0.325 -4.798 -4.135
9 1HB PHE 2 HB2 PHE 2 0.571 -6.141 -6.939
10 2HB PHE 2 HB3 PHE 2 1.772 -4.988 -6.248
11 HD1 PHE 2 HD2 PHE 2 2.752 -5.591 -3.917
12 HD2 PHE 2 HD1 PHE 2 0.828 -8.438 -6.494
13 HE1 PHE 2 HE2 PHE 2 3.854 -7.446 -2.695
14 HE2 PHE 2 HE1 PHE 2 1.933 -10.287 -5.279
15 HZ PHE 2 HZ PHE 2 3.445 -9.794 -3.373
16 H THR 3 HN THR 3 0.720 -2.675 -5.023
17 HA THR 3 HA THR 3 -1.126 -1.779 -7.133
18 HB THR 3 HB THR 3 -1.566 0.289 -6.195
19 HG1 THR 3 HG1 THR 3 -0.086 -0.160 -3.848
20 1HG2 THR 3 HG21 THR 3 -2.902 -1.631 -5.203
21 2HG2 THR 3 HG22 THR 3 -1.750 -1.687 -3.814
22 3HG2 THR 3 HG23 THR 3 -2.753 -0.230 -4.079
23 H ASN 4 HN ASN 4 -0.104 0.471 -7.989
24 HA ASN 4 HA ASN 4 2.807 0.410 -8.033
25 1HB ASN 4 HB2 ASN 4 2.749 0.793 -10.571
26 2HB ASN 4 HB3 ASN 4 2.454 -0.873 -10.012
27 1HD2 ASN 4 HD22 ASN 4 -0.783 -1.193 -11.397
28 2HD2 ASN 4 HD21 ASN 4 0.486 -1.898 -10.451
29 H VAL 5 HN VAL 5 1.326 1.874 -6.413
30 HA VAL 5 HA VAL 5 1.255 4.629 -7.447
31 HB VAL 5 HB VAL 5 0.117 3.157 -5.007
32 1HG1 VAL 5 HG11 VAL 5 0.225 6.210 -5.463
33 2HG1 VAL 5 HG12 VAL 5 -0.883 5.378 -4.304
34 3HG1 VAL 5 HG13 VAL 5 0.892 5.266 -4.064
35 1HG2 VAL 5 HG21 VAL 5 -1.159 4.730 -7.336
36 2HG2 VAL 5 HG22 VAL 5 -1.181 2.939 -7.104
37 3HG2 VAL 5 HG23 VAL 5 -2.053 4.004 -5.950
38 H SER 6 HN SER 6 2.545 6.211 -5.981
39 HA SER 6 HA SER 6 5.051 4.967 -5.127
40 1HB SER 6 HB2 SER 6 5.959 7.326 -5.123
41 2HB SER 6 HB3 SER 6 5.450 6.654 -6.698
42 HG SER 6 HG SER 6 3.496 7.769 -6.482
43 H CYS 7 HN CYS 7 5.912 5.098 -3.083
44 HA CYS 7 HA CYS 7 4.388 6.480 -0.944
45 1HB CYS 7 HB2 CYS 7 3.228 4.520 -0.907
46 2HB CYS 7 HB3 CYS 7 4.627 3.487 -1.120
47 H THR 8 HN THR 8 5.601 6.878 0.860
48 HA THR 8 HA THR 8 8.436 6.141 0.943
49 HB THR 8 HB THR 8 8.964 8.448 1.909
50 HG1 THR 8 HG1 THR 8 7.642 10.093 1.136
51 1HG2 THR 8 HG22 THR 8 9.724 7.626 -0.334
52 2HG2 THR 8 HG23 THR 8 8.217 8.272 -1.085
53 3HG2 THR 8 HG21 THR 8 9.399 9.397 -0.321
54 H THR 9 HN THR 9 5.548 7.502 2.627
55 HA THR 9 HA THR 9 6.448 6.365 5.180
56 HB THR 9 HB THR 9 4.596 7.864 6.129
57 HG1 THR 9 HG1 THR 9 3.596 8.279 4.106
58 1HG2 THR 9 HG22 THR 9 7.046 8.328 6.284
59 2HG2 THR 9 HG23 THR 9 6.999 9.160 4.682
60 3HG2 THR 9 HG21 THR 9 6.080 9.837 6.080
61 H SER 10 HN SER 10 5.424 4.700 6.095
62 HA SER 10 HA SER 10 3.228 3.382 4.740
63 1HB SER 10 HB2 SER 10 3.731 1.514 6.392
64 2HB SER 10 HB3 SER 10 5.054 1.952 5.262
65 HG SER 10 HG SER 10 4.820 2.841 7.937
66 H LYS 11 HN LYS 11 1.721 5.076 5.184
67 HA LYS 11 HA LYS 11 0.077 4.859 7.424
68 1HB LYS 11 HB2 LYS 11 1.925 6.077 8.591
69 2HB LYS 11 HB3 LYS 11 1.919 7.354 7.352
70 1HG LYS 11 HG2 LYS 11 -0.675 6.723 8.833
71 2HG LYS 11 HG3 LYS 11 0.655 7.452 9.788
72 1HD LYS 11 HD2 LYS 11 -0.537 8.738 7.256
73 2HD LYS 11 HD3 LYS 11 -1.007 9.119 8.947
74 1HE LYS 11 HE2 LYS 11 1.332 9.873 9.456
75 2HE LYS 11 HE3 LYS 11 1.823 9.523 7.748
76 1HZ LYS 11 HZ1 LYS 11 -0.275 11.445 8.602
77 2HZ LYS 11 HZ2 LYS 11 1.301 11.825 8.094
78 3HZ LYS 11 HZ3 LYS 11 0.204 11.122 7.006
79 H GLU 12 HN GLU 12 1.482 6.881 4.791
80 HA GLU 12 HA GLU 12 -0.650 8.358 4.044
81 1HB GLU 12 HB2 GLU 12 1.958 8.293 3.565
82 2HB GLU 12 HB3 GLU 12 1.535 7.457 2.073
83 1HG GLU 12 HG2 GLU 12 0.429 10.200 3.014
84 2HG GLU 12 HG3 GLU 12 1.865 9.988 1.949
85 1HN ABA 13 HN ABA 13 0.308 5.121 2.823
86 HA ABA 13 HA ABA 13 -1.696 5.199 0.678
87 1HB ABA 13 HB3 ABA 13 0.611 5.014 -0.018
88 2HB ABA 13 HB2 ABA 13 -0.306 3.551 -0.425
89 1HG ABA 13 HG1 ABA 13 0.783 2.345 1.510
90 2HG ABA 13 HG2 ABA 13 1.960 3.077 0.357
91 3HG ABA 13 HG3 ABA 13 1.650 3.887 1.941
92 H TRP 14 HN TRP 14 -2.518 4.639 3.431
93 HA TRP 14 HA TRP 14 -3.263 1.847 3.492
94 1HB TRP 14 HB2 TRP 14 -3.716 4.234 5.370
95 2HB TRP 14 HB3 TRP 14 -4.514 2.645 5.655
96 HD1 TRP 14 HD1 TRP 14 -0.698 3.299 4.762
97 HE1 TRP 14 HE1 TRP 14 0.604 1.666 6.177
98 HE3 TRP 14 HE3 TRP 14 -4.525 1.626 7.715
99 HZ2 TRP 14 HZ2 TRP 14 0.116 -0.139 8.341
100 HZ3 TRP 14 HZ3 TRP 14 -4.057 -0.149 9.367
101 HH2 TRP 14 HH2 TRP 14 -1.776 -1.076 9.608
102 H SER 15 HN SER 15 -4.761 4.930 2.458
103 HA SER 15 HA SER 15 -7.339 3.722 2.008
104 1HB SER 15 HB2 SER 15 -7.978 6.034 1.251
105 2HB SER 15 HB3 SER 15 -7.398 5.932 2.944
106 HG SER 15 HG SER 15 -5.851 6.736 0.716
107 H VAL 16 HN VAL 16 -4.516 3.216 0.564
108 HA VAL 16 HA VAL 16 -5.592 3.221 -2.187
109 HB VAL 16 HB VAL 16 -2.703 2.780 -1.248
110 1HG1 VAL 16 HG11 VAL 16 -3.954 3.204 -4.055
111 2HG1 VAL 16 HG12 VAL 16 -2.189 3.175 -3.689
112 3HG1 VAL 16 HG13 VAL 16 -3.168 1.695 -3.459
113 1HG2 VAL 16 HG23 VAL 16 -4.088 5.284 -2.418
114 2HG2 VAL 16 HG21 VAL 16 -3.418 5.117 -0.752
115 3HG2 VAL 16 HG22 VAL 16 -2.315 5.086 -2.168
116 H CYS 17 HN CYS 17 -4.409 1.014 0.466
117 HA CYS 17 HA CYS 17 -4.951 -1.323 -1.090
118 1HB CYS 17 HB2 CYS 17 -4.138 -0.690 1.745
119 2HB CYS 17 HB3 CYS 17 -4.840 -2.303 1.466
120 H GLN 18 HN GLN 18 -7.074 0.868 0.631
121 HA GLN 18 HA GLN 18 -9.100 -1.067 1.193
122 1HB GLN 18 HB2 GLN 18 -8.344 0.792 2.701
123 2HB GLN 18 HB3 GLN 18 -9.034 1.983 1.559
124 1HG GLN 18 HG2 GLN 18 -11.308 1.023 1.911
125 2HG GLN 18 HG3 GLN 18 -10.597 -0.332 2.871
126 1HE2 GLN 18 HE22 GLN 18 -11.542 3.170 4.735
127 2HE2 GLN 18 HE21 GLN 18 -12.047 2.761 3.130
128 H ARG 19 HN ARG 19 -8.396 1.517 -1.185
129 HA ARG 19 HA ARG 19 -11.040 1.445 -2.352
130 1HB ARG 19 HB2 ARG 19 -8.538 3.063 -3.068
131 2HB ARG 19 HB3 ARG 19 -10.159 3.289 -3.816
132 1HG ARG 19 HG2 ARG 19 -9.426 3.710 -0.861
133 2HG ARG 19 HG3 ARG 19 -9.667 4.991 -2.097
134 1HD ARG 19 HD2 ARG 19 -11.797 3.043 -0.994
135 2HD ARG 19 HD3 ARG 19 -11.607 4.793 -0.586
136 HE ARG 19 HE ARG 19 -12.234 3.718 -3.386
137 1HH1 ARG 19 HH22 ARG 19 -12.803 6.202 -0.868
138 2HH1 ARG 19 HH21 ARG 19 -13.909 7.109 -1.846
139 1HH2 ARG 19 HH12 ARG 19 -13.714 4.945 -4.655
140 2HH2 ARG 19 HH11 ARG 19 -14.432 6.387 -4.020
141 H LEU 20 HN LEU 20 -8.032 -0.207 -2.890
142 HA LEU 20 HA LEU 20 -8.520 -0.846 -5.689
143 1HB LEU 20 HB2 LEU 20 -6.291 -1.038 -3.692
144 2HB LEU 20 HB3 LEU 20 -6.338 -2.403 -4.844
145 HG LEU 20 HG LEU 20 -4.842 -0.616 -5.442
146 1HD1 LEU 20 HD11 LEU 20 -5.689 -2.249 -7.105
147 2HD1 LEU 20 HD12 LEU 20 -7.052 -1.148 -7.528
148 3HD1 LEU 20 HD13 LEU 20 -5.352 -0.658 -7.881
149 1HD2 LEU 20 HD21 LEU 20 -6.141 1.424 -4.799
150 2HD2 LEU 20 HD22 LEU 20 -5.572 1.499 -6.504
151 3HD2 LEU 20 HD23 LEU 20 -7.295 1.121 -6.147
152 H HIS 21 HN HIS 21 -7.866 -2.617 -2.624
153 HA HIS 21 HA HIS 21 -9.425 -4.913 -3.545
154 1HB HIS 21 HB2 HIS 21 -7.402 -4.630 -1.252
155 2HB HIS 21 HB3 HIS 21 -8.169 -6.159 -1.835
156 HD1 HIS 21 HD1 HIS 21 -7.484 -6.758 -4.459
157 HD2 HIS 21 HD2 HIS 21 -5.188 -3.759 -2.636
158 HE1 HIS 21 HE1 HIS 21 -5.389 -6.390 -5.874
159 H ASN 22 HN ASN 22 -8.968 -4.719 -0.216
160 HA ASN 22 HA ASN 22 -11.087 -3.260 0.746
161 1HB ASN 22 HB2 ASN 22 -12.802 -5.125 1.344
162 2HB ASN 22 HB3 ASN 22 -12.828 -4.465 -0.300
163 1HD2 ASN 22 HD22 ASN 22 -12.536 -7.582 -1.875
164 2HD2 ASN 22 HD21 ASN 22 -13.000 -5.914 -1.929
165 H THR 23 HN THR 23 -8.773 -3.221 1.786
166 HA THR 23 HA THR 23 -9.018 -4.731 4.244
167 HB THR 23 HB THR 23 -7.624 -6.089 2.524
168 HG1 THR 23 HG1 THR 23 -7.734 -6.482 4.703
169 1HG2 THR 23 HG23 THR 23 -6.184 -4.120 1.745
170 2HG2 THR 23 HG21 THR 23 -5.385 -4.155 3.374
171 3HG2 THR 23 HG22 THR 23 -5.270 -5.570 2.289
172 H SER 24 HN SER 24 -6.567 -3.795 5.360
173 HA SER 24 HA SER 24 -6.640 -0.893 4.972
174 1HB SER 24 HB2 SER 24 -6.684 -0.458 7.433
175 2HB SER 24 HB3 SER 24 -8.214 -1.135 6.787
176 HG SER 24 HG SER 24 -7.580 -2.095 8.717
177 H ARG 25 HN ARG 25 -4.857 -3.854 5.361
178 HA ARG 25 HA ARG 25 -2.576 -2.557 6.544
179 1HB ARG 25 HB2 ARG 25 -2.456 -5.467 5.775
180 2HB ARG 25 HB3 ARG 25 -1.576 -4.528 7.024
181 1HG ARG 25 HG2 ARG 25 -3.098 -5.813 8.278
182 2HG ARG 25 HG3 ARG 25 -3.979 -4.253 8.110
183 1HD ARG 25 HD2 ARG 25 -4.646 -5.588 5.764
184 2HD ARG 25 HD3 ARG 25 -4.537 -7.010 6.873
185 HE ARG 25 HE ARG 25 -6.557 -4.862 6.740
186 1HH1 ARG 25 HH12 ARG 25 -5.144 -7.342 8.907
187 2HH1 ARG 25 HH11 ARG 25 -6.539 -7.435 9.930
188 1HH2 ARG 25 HH22 ARG 25 -8.403 -4.975 8.172
189 2HH2 ARG 25 HH21 ARG 25 -8.409 -6.079 9.508
190 H GLY 26 HN GLY 26 -1.144 -1.598 5.285
191 1HA GLY 26 HA1 GLY 26 -0.172 -2.638 2.818
192 2HA GLY 26 HA2 GLY 26 -1.404 -1.320 2.593
193 H LYS 27 HN LYS 27 1.858 -2.098 3.206
194 HA LYS 27 HA LYS 27 2.545 0.610 4.140
195 1HB LYS 27 HB2 LYS 27 4.275 -1.937 4.255
196 2HB LYS 27 HB3 LYS 27 4.624 -0.331 4.980
197 1HG LYS 27 HG2 LYS 27 2.524 -0.631 6.407
198 2HG LYS 27 HG3 LYS 27 2.423 -2.319 5.770
199 1HD LYS 27 HD2 LYS 27 4.649 -2.839 6.720
200 2HD LYS 27 HD3 LYS 27 4.848 -1.131 7.259
201 1HE LYS 27 HE2 LYS 27 2.882 -1.371 8.807
202 2HE LYS 27 HE3 LYS 27 2.683 -3.096 8.288
203 1HZ LYS 27 HZ3 LYS 27 5.094 -1.928 9.585
204 2HZ LYS 27 HZ1 LYS 27 3.905 -2.875 10.340
205 3HZ LYS 27 HZ2 LYS 27 4.880 -3.549 9.125
206 H CYS 28 HN CYS 28 5.366 0.016 3.196
207 HA CYS 28 HA CYS 28 5.177 -0.520 0.397
208 1HB CYS 28 HB2 CYS 28 6.168 1.732 -0.349
209 2HB CYS 28 HB3 CYS 28 4.481 1.727 0.180
210 H MET 29 HN MET 29 7.413 -0.130 -0.615
211 HA MET 29 HA MET 29 9.421 -1.210 1.189
212 1HB MET 29 HB2 MET 29 8.705 -2.294 -1.054
213 2HB MET 29 HB3 MET 29 9.697 -1.044 -1.831
214 1HG MET 29 HG2 MET 29 11.327 -1.999 0.288
215 2HG MET 29 HG3 MET 29 10.397 -3.454 -0.146
216 1HE MET 29 HE1 MET 29 13.521 -1.840 -0.316
217 2HE MET 29 HE2 MET 29 13.347 -3.618 -0.126
218 3HE MET 29 HE3 MET 29 14.327 -2.945 -1.477
219 H ASN 30 HN ASN 30 11.013 0.216 -1.363
220 HA ASN 30 HA ASN 30 11.826 2.493 0.209
221 1HB ASN 30 HB2 ASN 30 13.513 2.881 -1.664
222 2HB ASN 30 HB3 ASN 30 13.649 1.419 -0.653
223 1HD2 ASN 30 HD22 ASN 30 14.148 -0.493 -3.540
224 2HD2 ASN 30 HD21 ASN 30 14.719 0.053 -1.999
225 H LYS 31 HN LYS 31 9.986 2.001 -2.773
226 HA LYS 31 HA LYS 31 9.545 4.919 -3.008
227 1HB LYS 31 HB2 LYS 31 10.526 2.979 -5.157
228 2HB LYS 31 HB3 LYS 31 9.970 4.646 -5.501
229 1HG LYS 31 HG2 LYS 31 11.749 5.623 -4.126
230 2HG LYS 31 HG3 LYS 31 12.376 3.987 -3.720
231 1HD LYS 31 HD2 LYS 31 12.832 3.513 -6.086
232 2HD LYS 31 HD3 LYS 31 12.191 5.131 -6.561
233 1HE LYS 31 HE2 LYS 31 13.998 6.253 -5.205
234 2HE LYS 31 HE3 LYS 31 14.648 4.631 -4.731
235 1HZ LYS 31 HZ2 LYS 31 14.449 5.698 -7.501
236 2HZ LYS 31 HZ3 LYS 31 15.852 5.600 -6.550
237 3HZ LYS 31 HZ1 LYS 31 15.066 4.181 -7.049
238 H LYS 32 HN LYS 32 7.859 1.777 -3.067
239 HA LYS 32 HA LYS 32 5.620 3.148 -4.304
240 1HB LYS 32 HB2 LYS 32 5.158 1.655 -6.040
241 2HB LYS 32 HB3 LYS 32 6.825 2.244 -6.239
242 1HG LYS 32 HG2 LYS 32 7.177 0.098 -6.749
243 2HG LYS 32 HG3 LYS 32 7.495 0.005 -4.974
244 1HD LYS 32 HD2 LYS 32 5.201 -0.994 -4.661
245 2HD LYS 32 HD3 LYS 32 4.810 -0.657 -6.378
246 1HE LYS 32 HE2 LYS 32 5.283 -3.061 -6.071
247 2HE LYS 32 HE3 LYS 32 6.573 -2.318 -7.099
248 1HZ LYS 32 HZ1 LYS 32 7.969 -2.191 -5.138
249 2HZ LYS 32 HZ2 LYS 32 6.759 -2.912 -4.189
250 3HZ LYS 32 HZ3 LYS 32 7.475 -3.784 -5.458
251 1HN ABA 33 HN ABA 33 3.639 2.279 -3.934
252 HA ABA 33 HA ABA 33 3.211 1.315 -1.361
253 1HB ABA 33 HB3 ABA 33 1.425 1.951 -3.734
254 2HB ABA 33 HB2 ABA 33 1.880 3.021 -2.387
255 1HG ABA 33 HG1 ABA 33 0.750 1.472 -0.766
256 2HG ABA 33 HG2 ABA 33 -0.376 2.234 -1.965
257 3HG ABA 33 HG3 ABA 33 0.092 0.505 -2.132
258 H ARG 34 HN ARG 34 2.532 -0.660 -0.630
259 HA ARG 34 HA ARG 34 2.259 -2.912 -2.494
260 1HB ARG 34 HB2 ARG 34 4.531 -2.355 -1.005
261 2HB ARG 34 HB3 ARG 34 3.661 -3.394 0.151
262 1HG ARG 34 HG2 ARG 34 3.591 -5.215 -1.544
263 2HG ARG 34 HG3 ARG 34 4.180 -4.074 -2.809
264 1HD ARG 34 HD2 ARG 34 6.332 -3.768 -1.527
265 2HD ARG 34 HD3 ARG 34 5.801 -5.066 -0.367
266 HE ARG 34 HE ARG 34 5.460 -6.372 -2.730
267 1HH1 ARG 34 HH12 ARG 34 8.247 -4.387 -1.671
268 2HH1 ARG 34 HH11 ARG 34 9.387 -5.246 -2.652
269 1HH2 ARG 34 HH22 ARG 34 7.007 -7.495 -4.030
270 2HH2 ARG 34 HH21 ARG 34 8.675 -7.032 -4.006
271 H CYS 35 HN CYS 35 1.491 -4.837 -0.703
272 HA CYS 35 HA CYS 35 -0.501 -3.754 1.043
273 1HB CYS 35 HB2 CYS 35 -1.408 -4.124 -1.511
274 2HB CYS 35 HB3 CYS 35 -1.677 -5.768 -0.889
275 H TYR 36 HN TYR 36 -1.049 -5.157 2.550
276 HA TYR 36 HA TYR 36 0.791 -7.442 2.978
277 1HB TYR 36 HB2 TYR 36 0.338 -4.799 4.439
278 2HB TYR 36 HB3 TYR 36 0.846 -6.222 5.437
279 HD1 TYR 36 HD1 TYR 36 1.756 -3.865 2.800
280 HD2 TYR 36 HD2 TYR 36 3.058 -7.206 5.114
281 HE1 TYR 36 HE1 TYR 36 4.131 -3.295 2.263
282 HE2 TYR 36 HE2 TYR 36 5.427 -6.710 4.530
283 HH TYR 36 HH TYR 36 6.282 -3.878 2.487
284 H SER 37 HN SER 37 -1.864 -7.338 2.079
285 HA SER 37 HA SER 37 -3.826 -7.681 4.036
286 1HB SER 37 HB2 SER 37 -4.213 -7.247 1.543
287 2HB SER 37 HB3 SER 37 -3.828 -8.974 1.246
288 HG SER 37 HG SER 37 -6.044 -8.552 1.457
No H/Q in entry = 288
Start of MODEL 25
1 HA PCA 1 HA PGL 1 -1.625 -8.874 -6.904
2 1HB PCA 1 HB2 PGL 1 -2.844 -6.405 -8.286
3 2HB PCA 1 HB3 PGL 1 -1.840 -7.720 -9.010
4 1HG PCA 1 HG2 PGL 1 -4.644 -7.586 -9.168
5 2HG PCA 1 HG3 PGL 1 -3.751 -9.176 -9.129
6 HN PCA 1 HN PGL 1 -3.588 -8.504 -5.286
7 H PHE 2 HN PHE 2 -0.354 -6.446 -7.614
8 HA PHE 2 HA PHE 2 0.139 -5.123 -5.032
9 1HB PHE 2 HB2 PHE 2 1.906 -5.227 -7.576
10 2HB PHE 2 HB3 PHE 2 2.376 -4.566 -5.963
11 HD1 PHE 2 HD1 PHE 2 1.794 -6.463 -3.972
12 HD2 PHE 2 HD2 PHE 2 2.909 -7.223 -8.057
13 HE1 PHE 2 HE1 PHE 2 2.642 -8.692 -3.331
14 HE2 PHE 2 HE2 PHE 2 3.767 -9.445 -7.407
15 HZ PHE 2 HZ PHE 2 3.631 -10.188 -5.045
16 H THR 3 HN THR 3 0.678 -2.720 -5.275
17 HA THR 3 HA THR 3 -0.977 -1.461 -7.354
18 HB THR 3 HB THR 3 -1.494 0.284 -6.035
19 HG1 THR 3 HG1 THR 3 -0.397 0.651 -4.003
20 1HG2 THR 3 HG21 THR 3 -2.369 -1.942 -5.058
21 2HG2 THR 3 HG22 THR 3 -1.040 -1.871 -3.853
22 3HG2 THR 3 HG23 THR 3 -2.288 -0.582 -3.877
23 H ASN 4 HN ASN 4 -0.026 0.720 -8.136
24 HA ASN 4 HA ASN 4 2.899 0.788 -8.225
25 1HB ASN 4 HB2 ASN 4 2.742 1.384 -10.727
26 2HB ASN 4 HB3 ASN 4 2.517 -0.333 -10.303
27 1HD2 ASN 4 HD22 ASN 4 -0.777 -0.643 -11.555
28 2HD2 ASN 4 HD21 ASN 4 0.532 -1.373 -10.689
29 H VAL 5 HN VAL 5 1.440 2.027 -6.440
30 HA VAL 5 HA VAL 5 1.319 4.867 -7.206
31 HB VAL 5 HB VAL 5 0.229 3.176 -4.893
32 1HG1 VAL 5 HG12 VAL 5 0.353 6.256 -5.045
33 2HG1 VAL 5 HG13 VAL 5 -0.732 5.320 -3.953
34 3HG1 VAL 5 HG11 VAL 5 1.044 5.177 -3.762
35 1HG2 VAL 5 HG22 VAL 5 -1.066 4.967 -7.049
36 2HG2 VAL 5 HG23 VAL 5 -1.129 3.166 -6.953
37 3HG2 VAL 5 HG21 VAL 5 -1.952 4.164 -5.704
38 H SER 6 HN SER 6 2.673 6.309 -5.793
39 HA SER 6 HA SER 6 5.168 5.012 -4.990
40 1HB SER 6 HB2 SER 6 6.088 7.378 -4.941
41 2HB SER 6 HB3 SER 6 5.575 6.736 -6.526
42 HG SER 6 HG SER 6 4.008 8.411 -4.864
43 H CYS 7 HN CYS 7 6.004 5.036 -2.961
44 HA CYS 7 HA CYS 7 4.501 6.395 -0.796
45 1HB CYS 7 HB2 CYS 7 3.296 4.488 -0.803
46 2HB CYS 7 HB3 CYS 7 4.661 3.423 -1.039
47 H THR 8 HN THR 8 5.632 6.837 0.965
48 HA THR 8 HA THR 8 8.462 6.134 1.201
49 HB THR 8 HB THR 8 8.922 8.489 2.103
50 HG1 THR 8 HG1 THR 8 6.609 9.025 0.539
51 1HG2 THR 8 HG22 THR 8 9.801 7.569 -0.061
52 2HG2 THR 8 HG23 THR 8 8.340 8.186 -0.918
53 3HG2 THR 8 HG21 THR 8 9.480 9.339 -0.133
54 H THR 9 HN THR 9 5.458 7.480 2.700
55 HA THR 9 HA THR 9 6.276 6.484 5.340
56 HB THR 9 HB THR 9 4.304 7.980 6.101
57 HG1 THR 9 HG1 THR 9 3.473 8.336 3.997
58 1HG2 THR 9 HG22 THR 9 6.741 8.450 6.436
59 2HG2 THR 9 HG23 THR 9 6.798 9.282 4.833
60 3HG2 THR 9 HG21 THR 9 5.765 9.940 6.162
61 H SER 10 HN SER 10 5.185 4.846 6.303
62 HA SER 10 HA SER 10 3.159 3.421 4.791
63 1HB SER 10 HB2 SER 10 3.560 1.590 6.492
64 2HB SER 10 HB3 SER 10 4.967 2.056 5.485
65 HG SER 10 HG SER 10 5.509 1.812 7.640
66 H LYS 11 HN LYS 11 1.593 5.126 5.083
67 HA LYS 11 HA LYS 11 -0.352 4.583 6.950
68 1HB LYS 11 HB2 LYS 11 1.216 5.882 8.542
69 2HB LYS 11 HB3 LYS 11 0.905 7.339 7.560
70 1HG LYS 11 HG2 LYS 11 -1.555 7.131 8.118
71 2HG LYS 11 HG3 LYS 11 -1.219 5.563 8.935
72 1HD LYS 11 HD2 LYS 11 0.252 6.774 10.597
73 2HD LYS 11 HD3 LYS 11 -0.165 8.327 9.797
74 1HE LYS 11 HE2 LYS 11 -1.557 8.021 11.829
75 2HE LYS 11 HE3 LYS 11 -2.612 7.936 10.361
76 1HZ LYS 11 HZ2 LYS 11 -1.524 5.603 11.850
77 2HZ LYS 11 HZ3 LYS 11 -3.097 6.229 11.991
78 3HZ LYS 11 HZ1 LYS 11 -2.578 5.557 10.519
79 H GLU 12 HN GLU 12 1.262 6.904 4.740
80 HA GLU 12 HA GLU 12 -0.540 8.365 3.576
81 1HB GLU 12 HB2 GLU 12 2.001 8.027 3.390
82 2HB GLU 12 HB3 GLU 12 1.704 6.760 2.181
83 1HG GLU 12 HG2 GLU 12 0.480 8.595 0.777
84 2HG GLU 12 HG3 GLU 12 1.020 9.756 2.052
85 1HN ABA 13 HN ABA 13 0.146 4.967 2.680
86 HA ABA 13 HA ABA 13 -1.633 5.066 0.341
87 1HB ABA 13 HB3 ABA 13 0.779 4.899 -0.123
88 2HB ABA 13 HB2 ABA 13 -0.056 3.414 -0.599
89 1HG ABA 13 HG1 ABA 13 0.800 2.291 1.542
90 2HG ABA 13 HG2 ABA 13 2.089 2.951 0.472
91 3HG ABA 13 HG3 ABA 13 1.624 3.857 1.955
92 H TRP 14 HN TRP 14 -2.322 4.405 3.227
93 HA TRP 14 HA TRP 14 -3.085 1.627 3.171
94 1HB TRP 14 HB2 TRP 14 -3.361 3.905 5.207
95 2HB TRP 14 HB3 TRP 14 -4.108 2.295 5.482
96 HD1 TRP 14 HD1 TRP 14 -0.412 2.856 4.131
97 HE1 TRP 14 HE1 TRP 14 1.018 1.255 5.442
98 HE3 TRP 14 HE3 TRP 14 -3.853 1.476 7.657
99 HZ2 TRP 14 HZ2 TRP 14 0.798 -0.344 7.806
100 HZ3 TRP 14 HZ3 TRP 14 -3.194 -0.178 9.372
101 HH2 TRP 14 HH2 TRP 14 -0.907 -1.124 9.391
102 H SER 15 HN SER 15 -4.572 4.720 2.292
103 HA SER 15 HA SER 15 -7.226 3.620 2.059
104 1HB SER 15 HB2 SER 15 -7.804 5.968 1.316
105 2HB SER 15 HB3 SER 15 -7.128 5.846 2.969
106 HG SER 15 HG SER 15 -5.648 6.526 0.656
107 H VAL 16 HN VAL 16 -4.443 3.166 0.361
108 HA VAL 16 HA VAL 16 -5.700 3.223 -2.292
109 HB VAL 16 HB VAL 16 -2.822 2.574 -1.452
110 1HG1 VAL 16 HG13 VAL 16 -4.088 2.944 -4.255
111 2HG1 VAL 16 HG11 VAL 16 -2.324 2.829 -3.900
112 3HG1 VAL 16 HG12 VAL 16 -3.379 1.415 -3.603
113 1HG2 VAL 16 HG22 VAL 16 -4.097 5.099 -2.700
114 2HG2 VAL 16 HG23 VAL 16 -3.420 4.965 -1.034
115 3HG2 VAL 16 HG21 VAL 16 -2.333 4.822 -2.454
116 H CYS 17 HN CYS 17 -4.442 0.924 0.227
117 HA CYS 17 HA CYS 17 -5.249 -1.412 -1.254
118 1HB CYS 17 HB2 CYS 17 -4.008 -0.829 1.456
119 2HB CYS 17 HB3 CYS 17 -4.728 -2.440 1.202
120 H GLN 18 HN GLN 18 -7.042 0.899 0.575
121 HA GLN 18 HA GLN 18 -9.086 -0.899 1.466
122 1HB GLN 18 HB2 GLN 18 -8.192 1.110 2.727
123 2HB GLN 18 HB3 GLN 18 -8.927 2.174 1.493
124 1HG GLN 18 HG2 GLN 18 -11.194 1.197 2.063
125 2HG GLN 18 HG3 GLN 18 -10.383 0.111 3.259
126 1HE2 GLN 18 HE22 GLN 18 -11.391 3.934 4.309
127 2HE2 GLN 18 HE21 GLN 18 -11.922 3.159 2.854
128 H ARG 19 HN ARG 19 -8.422 1.444 -1.159
129 HA ARG 19 HA ARG 19 -11.103 1.364 -2.219
130 1HB ARG 19 HB2 ARG 19 -8.559 2.847 -3.094
131 2HB ARG 19 HB3 ARG 19 -10.181 3.059 -3.865
132 1HG ARG 19 HG2 ARG 19 -9.600 3.693 -0.936
133 2HG ARG 19 HG3 ARG 19 -9.583 4.830 -2.334
134 1HD ARG 19 HD2 ARG 19 -12.025 3.973 -2.805
135 2HD ARG 19 HD3 ARG 19 -11.948 3.275 -1.115
136 HE ARG 19 HE ARG 19 -11.030 6.067 -1.427
137 1HH1 ARG 19 HH12 ARG 19 -13.918 4.035 -0.860
138 2HH1 ARG 19 HH11 ARG 19 -14.848 5.300 -0.127
139 1HH2 ARG 19 HH22 ARG 19 -12.299 7.765 -0.383
140 2HH2 ARG 19 HH21 ARG 19 -13.916 7.443 0.148
141 H LEU 20 HN LEU 20 -8.009 -0.283 -2.890
142 HA LEU 20 HA LEU 20 -8.819 -1.099 -5.536
143 1HB LEU 20 HB2 LEU 20 -6.495 -0.389 -5.151
144 2HB LEU 20 HB3 LEU 20 -6.308 -1.618 -3.867
145 HG LEU 20 HG LEU 20 -6.610 -3.428 -5.523
146 1HD1 LEU 20 HD13 LEU 20 -8.032 -2.309 -7.258
147 2HD1 LEU 20 HD11 LEU 20 -6.671 -1.200 -7.670
148 3HD1 LEU 20 HD12 LEU 20 -6.531 -2.969 -7.995
149 1HD2 LEU 20 HD23 LEU 20 -4.361 -2.638 -4.959
150 2HD2 LEU 20 HD21 LEU 20 -4.427 -3.203 -6.669
151 3HD2 LEU 20 HD22 LEU 20 -4.406 -1.435 -6.305
152 H HIS 21 HN HIS 21 -8.278 -2.487 -2.206
153 HA HIS 21 HA HIS 21 -9.536 -5.002 -3.061
154 1HB HIS 21 HB2 HIS 21 -7.419 -4.453 -0.893
155 2HB HIS 21 HB3 HIS 21 -8.199 -6.044 -1.222
156 HD1 HIS 21 HD1 HIS 21 -7.584 -7.114 -3.633
157 HD2 HIS 21 HD2 HIS 21 -5.255 -3.790 -2.551
158 HE1 HIS 21 HE1 HIS 21 -5.505 -7.075 -5.114
159 H ASN 22 HN ASN 22 -9.024 -4.705 0.206
160 HA ASN 22 HA ASN 22 -11.056 -3.130 1.165
161 1HB ASN 22 HB2 ASN 22 -12.827 -4.770 1.894
162 2HB ASN 22 HB3 ASN 22 -12.817 -4.461 0.143
163 1HD2 ASN 22 HD22 ASN 22 -11.924 -7.813 -0.837
164 2HD2 ASN 22 HD21 ASN 22 -11.820 -6.149 -1.308
165 H THR 23 HN THR 23 -8.723 -3.058 2.084
166 HA THR 23 HA THR 23 -8.809 -4.473 4.599
167 HB THR 23 HB THR 23 -7.515 -5.945 2.942
168 HG1 THR 23 HG1 THR 23 -5.984 -6.411 4.472
169 1HG2 THR 23 HG22 THR 23 -6.168 -4.120 1.809
170 2HG2 THR 23 HG23 THR 23 -5.276 -3.864 3.367
171 3HG2 THR 23 HG21 THR 23 -5.163 -5.435 2.526
172 H SER 24 HN SER 24 -6.345 -3.495 5.566
173 HA SER 24 HA SER 24 -6.640 -0.578 5.302
174 1HB SER 24 HB2 SER 24 -6.372 -0.363 7.811
175 2HB SER 24 HB3 SER 24 -7.949 -1.016 7.260
176 HG SER 24 HG SER 24 -7.093 -2.146 9.004
177 H ARG 25 HN ARG 25 -4.695 -3.487 6.069
178 HA ARG 25 HA ARG 25 -2.292 -1.928 6.430
179 1HB ARG 25 HB2 ARG 25 -1.259 -4.240 6.920
180 2HB ARG 25 HB3 ARG 25 -2.378 -3.518 8.100
181 1HG ARG 25 HG2 ARG 25 -3.551 -5.391 6.023
182 2HG ARG 25 HG3 ARG 25 -2.591 -6.086 7.367
183 1HD ARG 25 HD2 ARG 25 -4.070 -5.419 9.052
184 2HD ARG 25 HD3 ARG 25 -4.737 -4.046 8.068
185 HE ARG 25 HE ARG 25 -5.559 -6.075 6.515
186 1HH1 ARG 25 HH12 ARG 25 -5.811 -5.699 10.071
187 2HH1 ARG 25 HH11 ARG 25 -7.307 -6.566 10.184
188 1HH2 ARG 25 HH22 ARG 25 -7.535 -7.288 6.714
189 2HH2 ARG 25 HH21 ARG 25 -8.296 -7.477 8.259
190 H GLY 26 HN GLY 26 -0.784 -1.745 5.035
191 1HA GLY 26 HA1 GLY 26 -0.043 -3.143 2.803
192 2HA GLY 26 HA2 GLY 26 -1.424 -2.067 2.303
193 H LYS 27 HN LYS 27 1.920 -2.275 3.061
194 HA LYS 27 HA LYS 27 2.273 0.551 3.733
195 1HB LYS 27 HB2 LYS 27 4.158 -1.853 4.172
196 2HB LYS 27 HB3 LYS 27 4.368 -0.179 4.806
197 1HG LYS 27 HG2 LYS 27 2.292 -0.480 6.172
198 2HG LYS 27 HG3 LYS 27 2.158 -2.174 5.564
199 1HD LYS 27 HD2 LYS 27 4.409 -2.695 6.520
200 2HD LYS 27 HD3 LYS 27 4.518 -1.017 7.172
201 1HE LYS 27 HE2 LYS 27 2.512 -1.435 8.624
202 2HE LYS 27 HE3 LYS 27 2.359 -3.107 7.943
203 1HZ LYS 27 HZ1 LYS 27 4.538 -3.597 8.829
204 2HZ LYS 27 HZ2 LYS 27 4.673 -2.029 9.467
205 3HZ LYS 27 HZ3 LYS 27 3.476 -3.082 10.050
206 H CYS 28 HN CYS 28 5.248 -0.042 3.140
207 HA CYS 28 HA CYS 28 5.375 -0.566 0.335
208 1HB CYS 28 HB2 CYS 28 6.440 1.695 -0.272
209 2HB CYS 28 HB3 CYS 28 4.712 1.696 0.102
210 H MET 29 HN MET 29 7.670 -0.187 -0.425
211 HA MET 29 HA MET 29 9.602 -1.013 1.610
212 1HB MET 29 HB2 MET 29 9.079 -2.324 -0.542
213 2HB MET 29 HB3 MET 29 10.071 -1.138 -1.406
214 1HG MET 29 HG2 MET 29 10.998 -2.648 1.133
215 2HG MET 29 HG3 MET 29 11.012 -3.445 -0.458
216 1HE MET 29 HE3 MET 29 11.930 -1.632 -2.608
217 2HE MET 29 HE1 MET 29 13.713 -1.828 -2.573
218 3HE MET 29 HE2 MET 29 12.649 -3.247 -2.288
219 H ASN 30 HN ASN 30 11.239 0.337 -0.981
220 HA ASN 30 HA ASN 30 11.780 2.759 0.489
221 1HB ASN 30 HB2 ASN 30 13.684 3.107 -1.030
222 2HB ASN 30 HB3 ASN 30 13.688 1.548 -0.156
223 1HD2 ASN 30 HD22 ASN 30 14.911 0.632 -3.449
224 2HD2 ASN 30 HD21 ASN 30 15.414 1.478 -2.024
225 H LYS 31 HN LYS 31 10.061 1.956 -2.475
226 HA LYS 31 HA LYS 31 9.827 4.828 -3.156
227 1HB LYS 31 HB2 LYS 31 10.385 2.457 -4.997
228 2HB LYS 31 HB3 LYS 31 9.927 4.098 -5.572
229 1HG LYS 31 HG2 LYS 31 11.892 5.104 -4.491
230 2HG LYS 31 HG3 LYS 31 12.407 3.498 -3.878
231 1HD LYS 31 HD2 LYS 31 13.743 3.981 -5.800
232 2HD LYS 31 HD3 LYS 31 12.606 2.655 -6.234
233 1HE LYS 31 HE2 LYS 31 11.164 4.286 -7.494
234 2HE LYS 31 HE3 LYS 31 12.236 5.650 -6.972
235 1HZ LYS 31 HZ2 LYS 31 13.056 3.323 -8.631
236 2HZ LYS 31 HZ3 LYS 31 12.716 4.892 -9.188
237 3HZ LYS 31 HZ1 LYS 31 14.041 4.624 -8.159
238 H LYS 32 HN LYS 32 8.046 1.614 -3.215
239 HA LYS 32 HA LYS 32 5.753 3.100 -4.307
240 1HB LYS 32 HB2 LYS 32 5.293 1.608 -5.987
241 2HB LYS 32 HB3 LYS 32 7.014 2.054 -6.164
242 1HG LYS 32 HG2 LYS 32 7.568 -0.102 -4.813
243 2HG LYS 32 HG3 LYS 32 5.852 -0.585 -5.120
244 1HD LYS 32 HD2 LYS 32 6.256 -0.241 -7.583
245 2HD LYS 32 HD3 LYS 32 7.989 0.070 -7.221
246 1HE LYS 32 HE2 LYS 32 6.431 -2.569 -6.682
247 2HE LYS 32 HE3 LYS 32 7.704 -2.307 -7.942
248 1HZ LYS 32 HZ2 LYS 32 9.261 -1.848 -6.121
249 2HZ LYS 32 HZ3 LYS 32 8.052 -2.230 -4.991
250 3HZ LYS 32 HZ1 LYS 32 8.611 -3.417 -6.068
251 1HN ABA 33 HN ABA 33 3.752 2.186 -3.889
252 HA ABA 33 HA ABA 33 3.399 1.044 -1.345
253 1HB ABA 33 HB3 ABA 33 1.555 1.899 -3.603
254 2HB ABA 33 HB2 ABA 33 2.012 2.811 -2.145
255 1HG ABA 33 HG1 ABA 33 0.885 1.166 -0.685
256 2HG ABA 33 HG2 ABA 33 -0.261 1.910 -1.883
257 3HG ABA 33 HG3 ABA 33 0.298 0.226 -2.114
258 H ARG 34 HN ARG 34 2.794 -0.988 -0.778
259 HA ARG 34 HA ARG 34 2.364 -3.095 -2.790
260 1HB ARG 34 HB2 ARG 34 3.831 -3.222 -0.076
261 2HB ARG 34 HB3 ARG 34 3.421 -4.653 -1.097
262 1HG ARG 34 HG2 ARG 34 4.809 -3.775 -2.940
263 2HG ARG 34 HG3 ARG 34 5.271 -2.345 -1.947
264 1HD ARG 34 HD2 ARG 34 6.408 -3.771 -0.285
265 2HD ARG 34 HD3 ARG 34 5.838 -5.276 -1.145
266 HE ARG 34 HE ARG 34 7.247 -3.571 -3.016
267 1HH1 ARG 34 HH12 ARG 34 7.899 -5.649 -0.179
268 2HH1 ARG 34 HH11 ARG 34 9.501 -6.068 -0.687
269 1HH2 ARG 34 HH22 ARG 34 9.403 -4.151 -3.682
270 2HH2 ARG 34 HH21 ARG 34 10.366 -5.207 -2.700
271 H CYS 35 HN CYS 35 1.402 -5.028 -1.033
272 HA CYS 35 HA CYS 35 -0.635 -3.838 0.602
273 1HB CYS 35 HB2 CYS 35 -1.405 -4.183 -1.982
274 2HB CYS 35 HB3 CYS 35 -1.720 -5.840 -1.434
275 H TYR 36 HN TYR 36 -1.354 -5.226 2.103
276 HA TYR 36 HA TYR 36 0.187 -7.699 2.553
277 1HB TYR 36 HB2 TYR 36 0.331 -5.017 4.071
278 2HB TYR 36 HB3 TYR 36 0.805 -6.548 4.905
279 HD1 TYR 36 HD2 TYR 36 2.364 -8.050 2.974
280 HD2 TYR 36 HD1 TYR 36 2.207 -3.814 3.637
281 HE1 TYR 36 HE2 TYR 36 4.658 -7.826 2.085
282 HE2 TYR 36 HE1 TYR 36 4.507 -3.578 2.759
283 HH TYR 36 HH TYR 36 6.290 -4.631 1.884
284 H SER 37 HN SER 37 -2.227 -8.085 1.952
285 HA SER 37 HA SER 37 -4.159 -7.539 3.991
286 1HB SER 37 HB2 SER 37 -5.676 -8.969 2.597
287 2HB SER 37 HB3 SER 37 -4.936 -7.587 1.712
288 HG SER 37 HG SER 37 -4.875 -9.519 0.549
No H/Q in entry = 288
Start of MODEL 26
1 HA PCA 1 HA PGL 1 -1.320 -9.130 -5.911
2 1HB PCA 1 HB2 PGL 1 -2.454 -6.942 -7.463
3 2HB PCA 1 HB3 PGL 1 -2.331 -8.673 -7.916
4 1HG PCA 1 HG2 PGL 1 -4.732 -7.175 -6.858
5 2HG PCA 1 HG3 PGL 1 -4.657 -8.658 -7.912
6 HN PCA 1 HN PGL 1 -3.028 -9.539 -4.243
7 H PHE 2 HN PHE 2 -0.132 -6.917 -6.407
8 HA PHE 2 HA PHE 2 -0.056 -5.233 -3.988
9 1HB PHE 2 HB2 PHE 2 2.040 -5.871 -6.187
10 2HB PHE 2 HB3 PHE 2 2.306 -4.661 -4.879
11 HD1 PHE 2 HD2 PHE 2 2.504 -5.345 -2.553
12 HD2 PHE 2 HD1 PHE 2 2.150 -8.250 -5.693
13 HE1 PHE 2 HE2 PHE 2 3.383 -7.091 -1.030
14 HE2 PHE 2 HE1 PHE 2 3.012 -10.001 -4.169
15 HZ PHE 2 HZ PHE 2 3.631 -9.424 -1.837
16 H THR 3 HN THR 3 0.475 -2.871 -4.497
17 HA THR 3 HA THR 3 -0.900 -1.954 -6.911
18 HB THR 3 HB THR 3 -1.410 0.019 -5.954
19 HG1 THR 3 HG1 THR 3 0.390 -0.304 -3.802
20 1HG2 THR 3 HG23 THR 3 -2.517 -1.941 -4.724
21 2HG2 THR 3 HG21 THR 3 -1.245 -1.806 -3.455
22 3HG2 THR 3 HG22 THR 3 -2.374 -0.446 -3.720
23 H ASN 4 HN ASN 4 0.256 0.264 -7.775
24 HA ASN 4 HA ASN 4 3.143 0.123 -7.650
25 1HB ASN 4 HB2 ASN 4 3.390 0.220 -10.128
26 2HB ASN 4 HB3 ASN 4 2.804 -1.361 -9.538
27 1HD2 ASN 4 HD22 ASN 4 0.965 -0.696 -12.659
28 2HD2 ASN 4 HD21 ASN 4 2.592 -0.990 -12.146
29 H VAL 5 HN VAL 5 1.644 1.840 -6.265
30 HA VAL 5 HA VAL 5 1.743 4.391 -7.720
31 HB VAL 5 HB VAL 5 1.108 4.188 -4.757
32 1HG1 VAL 5 HG11 VAL 5 0.085 5.909 -7.126
33 2HG1 VAL 5 HG12 VAL 5 -0.463 6.043 -5.413
34 3HG1 VAL 5 HG13 VAL 5 1.225 6.462 -5.843
35 1HG2 VAL 5 HG22 VAL 5 -0.754 3.337 -7.051
36 2HG2 VAL 5 HG23 VAL 5 -0.183 2.362 -5.634
37 3HG2 VAL 5 HG21 VAL 5 -1.278 3.757 -5.374
38 H SER 6 HN SER 6 2.809 6.130 -5.866
39 HA SER 6 HA SER 6 5.512 5.119 -5.244
40 1HB SER 6 HB2 SER 6 6.227 7.570 -5.326
41 2HB SER 6 HB3 SER 6 5.851 6.758 -6.872
42 HG SER 6 HG SER 6 4.950 8.834 -6.691
43 H CYS 7 HN CYS 7 6.154 5.132 -3.234
44 HA CYS 7 HA CYS 7 4.564 6.604 -1.171
45 1HB CYS 7 HB2 CYS 7 3.519 4.551 -1.196
46 2HB CYS 7 HB3 CYS 7 5.009 3.622 -1.164
47 H THR 8 HN THR 8 5.616 7.058 0.726
48 HA THR 8 HA THR 8 8.506 6.608 0.941
49 HB THR 8 HB THR 8 8.665 8.879 2.077
50 HG1 THR 8 HG1 THR 8 7.113 10.366 1.375
51 1HG2 THR 8 HG22 THR 8 9.548 8.347 -0.218
52 2HG2 THR 8 HG23 THR 8 7.970 8.839 -0.937
53 3HG2 THR 8 HG21 THR 8 8.981 10.050 -0.069
54 H THR 9 HN THR 9 5.371 7.331 2.620
55 HA THR 9 HA THR 9 6.493 6.295 5.146
56 HB THR 9 HB THR 9 4.618 7.642 6.218
57 HG1 THR 9 HG1 THR 9 4.578 8.782 3.612
58 1HG2 THR 9 HG22 THR 9 7.029 8.326 6.159
59 2HG2 THR 9 HG23 THR 9 6.754 9.166 4.585
60 3HG2 THR 9 HG21 THR 9 5.906 9.735 6.071
61 H SER 10 HN SER 10 5.446 4.736 6.326
62 HA SER 10 HA SER 10 3.395 3.161 5.020
63 1HB SER 10 HB2 SER 10 3.848 1.518 6.894
64 2HB SER 10 HB3 SER 10 5.238 1.900 5.823
65 HG SER 10 HG SER 10 5.977 3.350 7.380
66 H LYS 11 HN LYS 11 1.809 4.817 5.132
67 HA LYS 11 HA LYS 11 -0.076 4.668 7.163
68 1HB LYS 11 HB2 LYS 11 1.556 6.221 8.402
69 2HB LYS 11 HB3 LYS 11 1.360 7.408 7.084
70 1HG LYS 11 HG2 LYS 11 -1.173 7.443 7.650
71 2HG LYS 11 HG3 LYS 11 -0.811 6.285 8.976
72 1HD LYS 11 HD2 LYS 11 -0.987 8.442 9.966
73 2HD LYS 11 HD3 LYS 11 0.768 8.043 9.964
74 1HE LYS 11 HE2 LYS 11 1.098 9.546 7.957
75 2HE LYS 11 HE3 LYS 11 -0.682 9.871 7.915
76 1HZ LYS 11 HZ1 LYS 11 -0.498 10.827 10.113
77 2HZ LYS 11 HZ2 LYS 11 1.176 10.541 10.134
78 3HZ LYS 11 HZ3 LYS 11 0.514 11.616 8.998
79 H GLU 12 HN GLU 12 1.499 6.525 4.520
80 HA GLU 12 HA GLU 12 -0.506 7.789 3.315
81 1HB GLU 12 HB2 GLU 12 2.117 7.598 3.156
82 2HB GLU 12 HB3 GLU 12 1.841 6.515 1.793
83 1HG GLU 12 HG2 GLU 12 0.544 8.374 0.625
84 2HG GLU 12 HG3 GLU 12 0.772 9.404 2.097
85 1HN ABA 13 HN ABA 13 0.241 4.379 3.039
86 HA ABA 13 HA ABA 13 -1.014 3.948 0.470
87 1HB ABA 13 HB3 ABA 13 0.001 1.739 0.590
88 2HB ABA 13 HB2 ABA 13 0.328 1.916 2.354
89 1HG ABA 13 HG1 ABA 13 1.590 3.777 0.237
90 2HG ABA 13 HG2 ABA 13 1.990 3.617 1.992
91 3HG ABA 13 HG3 ABA 13 2.319 2.262 0.848
92 H TRP 14 HN TRP 14 -2.402 4.198 3.434
93 HA TRP 14 HA TRP 14 -3.726 1.656 3.629
94 1HB TRP 14 HB2 TRP 14 -3.715 4.184 5.384
95 2HB TRP 14 HB3 TRP 14 -4.675 2.714 5.792
96 HD1 TRP 14 HD1 TRP 14 -0.842 3.032 4.741
97 HE1 TRP 14 HE1 TRP 14 0.359 1.258 6.032
98 HE3 TRP 14 HE3 TRP 14 -4.655 1.623 7.853
99 HZ2 TRP 14 HZ2 TRP 14 -0.149 -0.529 8.195
100 HZ3 TRP 14 HZ3 TRP 14 -4.248 -0.230 9.443
101 HH2 TRP 14 HH2 TRP 14 -2.041 -1.358 9.520
102 H SER 15 HN SER 15 -4.504 4.743 2.162
103 HA SER 15 HA SER 15 -7.343 4.182 1.987
104 1HB SER 15 HB2 SER 15 -7.407 6.395 0.767
105 2HB SER 15 HB3 SER 15 -6.808 6.491 2.452
106 HG SER 15 HG SER 15 -5.181 6.392 0.135
107 H VAL 16 HN VAL 16 -4.493 3.143 0.464
108 HA VAL 16 HA VAL 16 -5.606 3.099 -2.235
109 HB VAL 16 HB VAL 16 -2.848 2.166 -1.321
110 1HG1 VAL 16 HG13 VAL 16 -4.044 2.951 -4.076
111 2HG1 VAL 16 HG11 VAL 16 -2.324 2.524 -3.753
112 3HG1 VAL 16 HG12 VAL 16 -3.599 1.281 -3.571
113 1HG2 VAL 16 HG23 VAL 16 -3.810 4.925 -2.325
114 2HG2 VAL 16 HG21 VAL 16 -3.108 4.554 -0.704
115 3HG2 VAL 16 HG22 VAL 16 -2.090 4.408 -2.172
116 H CYS 17 HN CYS 17 -4.716 0.860 0.484
117 HA CYS 17 HA CYS 17 -5.512 -1.489 -0.993
118 1HB CYS 17 HB2 CYS 17 -4.671 -0.960 1.902
119 2HB CYS 17 HB3 CYS 17 -5.209 -2.580 1.363
120 H GLN 18 HN GLN 18 -7.345 0.933 0.723
121 HA GLN 18 HA GLN 18 -9.561 -0.847 1.367
122 1HB GLN 18 HB2 GLN 18 -9.289 2.198 1.536
123 2HB GLN 18 HB3 GLN 18 -10.768 1.258 2.011
124 1HG GLN 18 HG2 GLN 18 -9.563 0.084 3.762
125 2HG GLN 18 HG3 GLN 18 -8.028 0.903 3.303
126 1HE2 GLN 18 HE22 GLN 18 -10.594 2.715 5.888
127 2HE2 GLN 18 HE21 GLN 18 -10.637 1.038 5.461
128 H ARG 19 HN ARG 19 -8.665 1.693 -0.975
129 HA ARG 19 HA ARG 19 -11.171 1.789 -2.302
130 1HB ARG 19 HB2 ARG 19 -10.516 3.568 -3.415
131 2HB ARG 19 HB3 ARG 19 -9.515 3.641 -1.947
132 1HG ARG 19 HG2 ARG 19 -7.910 4.198 -3.355
133 2HG ARG 19 HG3 ARG 19 -7.672 2.451 -3.628
134 1HD ARG 19 HD2 ARG 19 -9.751 4.019 -5.258
135 2HD ARG 19 HD3 ARG 19 -7.985 4.294 -5.646
136 HE ARG 19 HE ARG 19 -8.317 1.501 -5.612
137 1HH1 ARG 19 HH22 ARG 19 -9.824 4.184 -7.427
138 2HH1 ARG 19 HH21 ARG 19 -10.211 3.212 -8.808
139 1HH2 ARG 19 HH12 ARG 19 -8.808 0.218 -7.491
140 2HH2 ARG 19 HH11 ARG 19 -9.626 0.930 -8.844
141 H LEU 20 HN LEU 20 -8.200 -0.069 -2.899
142 HA LEU 20 HA LEU 20 -8.994 -0.911 -5.533
143 1HB LEU 20 HB2 LEU 20 -6.677 -0.213 -5.084
144 2HB LEU 20 HB3 LEU 20 -6.530 -1.460 -3.809
145 HG LEU 20 HG LEU 20 -6.777 -3.246 -5.458
146 1HD1 LEU 20 HD12 LEU 20 -6.867 -1.019 -7.611
147 2HD1 LEU 20 HD13 LEU 20 -6.666 -2.780 -7.945
148 3HD1 LEU 20 HD11 LEU 20 -8.197 -2.173 -7.222
149 1HD2 LEU 20 HD22 LEU 20 -4.546 -2.422 -4.881
150 2HD2 LEU 20 HD23 LEU 20 -4.588 -3.002 -6.588
151 3HD2 LEU 20 HD21 LEU 20 -4.591 -1.230 -6.238
152 H HIS 21 HN HIS 21 -8.596 -2.302 -2.179
153 HA HIS 21 HA HIS 21 -9.881 -4.784 -3.088
154 1HB HIS 21 HB2 HIS 21 -7.743 -4.359 -0.916
155 2HB HIS 21 HB3 HIS 21 -8.561 -5.916 -1.304
156 HD1 HIS 21 HD1 HIS 21 -8.000 -6.852 -3.816
157 HD2 HIS 21 HD2 HIS 21 -5.539 -3.720 -2.493
158 HE1 HIS 21 HE1 HIS 21 -5.909 -6.808 -5.275
159 H ASN 22 HN ASN 22 -9.346 -4.598 0.159
160 HA ASN 22 HA ASN 22 -11.308 -2.957 1.203
161 1HB ASN 22 HB2 ASN 22 -13.059 -4.770 1.942
162 2HB ASN 22 HB3 ASN 22 -13.165 -4.085 0.308
163 1HD2 ASN 22 HD22 ASN 22 -12.116 -8.103 0.720
164 2HD2 ASN 22 HD21 ASN 22 -11.876 -7.022 2.051
165 H THR 23 HN THR 23 -8.883 -3.057 2.039
166 HA THR 23 HA THR 23 -8.996 -4.440 4.557
167 HB THR 23 HB THR 23 -7.924 -6.117 2.977
168 HG1 THR 23 HG1 THR 23 -7.659 -6.135 5.187
169 1HG2 THR 23 HG21 THR 23 -6.526 -4.471 1.626
170 2HG2 THR 23 HG22 THR 23 -5.487 -4.223 3.091
171 3HG2 THR 23 HG23 THR 23 -5.586 -5.840 2.330
172 H SER 24 HN SER 24 -6.652 -3.680 5.633
173 HA SER 24 HA SER 24 -6.348 -0.820 4.982
174 1HB SER 24 HB2 SER 24 -6.378 -0.184 7.374
175 2HB SER 24 HB3 SER 24 -7.953 -0.800 6.795
176 HG SER 24 HG SER 24 -6.077 -2.035 8.477
177 H ARG 25 HN ARG 25 -4.954 -3.921 5.470
178 HA ARG 25 HA ARG 25 -2.460 -2.904 6.578
179 1HB ARG 25 HB2 ARG 25 -3.369 -5.770 5.944
180 2HB ARG 25 HB3 ARG 25 -1.763 -5.302 6.592
181 1HG ARG 25 HG2 ARG 25 -2.929 -6.086 8.437
182 2HG ARG 25 HG3 ARG 25 -2.863 -4.304 8.616
183 1HD ARG 25 HD2 ARG 25 -5.082 -5.272 9.332
184 2HD ARG 25 HD3 ARG 25 -5.271 -4.135 7.957
185 HE ARG 25 HE ARG 25 -5.668 -5.936 6.434
186 1HH1 ARG 25 HH12 ARG 25 -5.176 -7.176 9.761
187 2HH1 ARG 25 HH11 ARG 25 -5.786 -8.756 9.396
188 1HH2 ARG 25 HH22 ARG 25 -6.480 -8.055 5.981
189 2HH2 ARG 25 HH21 ARG 25 -6.533 -9.261 7.226
190 H GLY 26 HN GLY 26 -0.979 -2.236 5.313
191 1HA GLY 26 HA1 GLY 26 0.039 -3.245 2.973
192 2HA GLY 26 HA2 GLY 26 -1.299 -2.097 2.519
193 H LYS 27 HN LYS 27 1.925 -2.177 2.761
194 HA LYS 27 HA LYS 27 2.277 0.458 4.030
195 1HB LYS 27 HB2 LYS 27 4.215 -1.943 4.244
196 2HB LYS 27 HB3 LYS 27 4.383 -0.328 5.022
197 1HG LYS 27 HG2 LYS 27 2.342 -0.856 6.420
198 2HG LYS 27 HG3 LYS 27 2.254 -2.463 5.616
199 1HD LYS 27 HD2 LYS 27 4.660 -2.891 6.431
200 2HD LYS 27 HD3 LYS 27 4.505 -1.395 7.411
201 1HE LYS 27 HE2 LYS 27 4.000 -3.331 8.847
202 2HE LYS 27 HE3 LYS 27 2.442 -2.453 8.547
203 1HZ LYS 27 HZ1 LYS 27 1.951 -4.063 6.821
204 2HZ LYS 27 HZ2 LYS 27 3.409 -4.879 7.121
205 3HZ LYS 27 HZ3 LYS 27 2.207 -4.822 8.320
206 H CYS 28 HN CYS 28 5.212 0.121 3.277
207 HA CYS 28 HA CYS 28 5.226 -0.382 0.458
208 1HB CYS 28 HB2 CYS 28 5.976 1.942 -0.229
209 2HB CYS 28 HB3 CYS 28 4.305 1.855 0.337
210 H MET 29 HN MET 29 7.497 0.306 -0.420
211 HA MET 29 HA MET 29 9.488 -0.738 1.411
212 1HB MET 29 HB2 MET 29 8.772 -1.700 -0.927
213 2HB MET 29 HB3 MET 29 9.804 -0.424 -1.609
214 1HG MET 29 HG2 MET 29 11.730 -1.381 -0.216
215 2HG MET 29 HG3 MET 29 10.565 -2.545 0.504
216 1HE MET 29 HE1 MET 29 12.575 -1.437 -2.701
217 2HE MET 29 HE2 MET 29 12.010 -2.577 -3.965
218 3HE MET 29 HE3 MET 29 10.896 -1.320 -3.335
219 H ASN 30 HN ASN 30 11.245 0.772 -0.878
220 HA ASN 30 HA ASN 30 11.583 3.201 0.647
221 1HB ASN 30 HB2 ASN 30 13.538 3.624 -0.994
222 2HB ASN 30 HB3 ASN 30 13.633 2.309 0.206
223 1HD2 ASN 30 HD22 ASN 30 13.393 1.328 -3.837
224 2HD2 ASN 30 HD21 ASN 30 12.874 2.892 -3.304
225 H LYS 31 HN LYS 31 10.206 2.375 -2.513
226 HA LYS 31 HA LYS 31 9.620 5.234 -2.999
227 1HB LYS 31 HB2 LYS 31 11.052 3.243 -4.807
228 2HB LYS 31 HB3 LYS 31 10.312 4.735 -5.460
229 1HG LYS 31 HG2 LYS 31 11.710 6.179 -4.112
230 2HG LYS 31 HG3 LYS 31 12.504 4.767 -3.329
231 1HD LYS 31 HD2 LYS 31 13.418 4.002 -5.463
232 2HD LYS 31 HD3 LYS 31 12.518 5.277 -6.358
233 1HE LYS 31 HE2 LYS 31 14.916 5.928 -6.099
234 2HE LYS 31 HE3 LYS 31 13.835 7.072 -5.206
235 1HZ LYS 31 HZ3 LYS 31 14.336 5.870 -3.184
236 2HZ LYS 31 HZ1 LYS 31 15.368 4.814 -4.024
237 3HZ LYS 31 HZ2 LYS 31 15.745 6.467 -3.919
238 H LYS 32 HN LYS 32 8.054 2.094 -2.815
239 HA LYS 32 HA LYS 32 6.009 3.138 -4.608
240 1HB LYS 32 HB2 LYS 32 5.786 1.338 -5.992
241 2HB LYS 32 HB3 LYS 32 7.501 1.831 -6.090
242 1HG LYS 32 HG2 LYS 32 8.072 -0.027 -4.406
243 2HG LYS 32 HG3 LYS 32 6.378 -0.629 -4.613
244 1HD LYS 32 HD2 LYS 32 6.739 -0.907 -7.031
245 2HD LYS 32 HD3 LYS 32 8.389 -0.206 -6.878
246 1HE LYS 32 HE2 LYS 32 8.508 -2.722 -7.018
247 2HE LYS 32 HE3 LYS 32 9.097 -2.135 -5.409
248 1HZ LYS 32 HZ1 LYS 32 6.929 -2.645 -4.499
249 2HZ LYS 32 HZ2 LYS 32 6.390 -3.210 -6.007
250 3HZ LYS 32 HZ3 LYS 32 7.648 -4.017 -5.197
251 1HN ABA 33 HN ABA 33 3.928 2.302 -4.269
252 HA ABA 33 HA ABA 33 3.387 1.558 -1.583
253 1HB ABA 33 HB3 ABA 33 1.704 2.081 -4.085
254 2HB ABA 33 HB2 ABA 33 2.217 3.302 -2.878
255 1HG ABA 33 HG1 ABA 33 -0.197 2.488 -2.699
256 2HG ABA 33 HG2 ABA 33 0.456 0.971 -1.954
257 3HG ABA 33 HG3 ABA 33 0.825 2.577 -1.234
258 H ARG 34 HN ARG 34 2.670 -0.390 -0.829
259 HA ARG 34 HA ARG 34 2.378 -2.675 -2.670
260 1HB ARG 34 HB2 ARG 34 3.798 -2.645 0.069
261 2HB ARG 34 HB3 ARG 34 3.515 -4.086 -0.971
262 1HG ARG 34 HG2 ARG 34 4.902 -2.935 -2.793
263 2HG ARG 34 HG3 ARG 34 5.271 -1.641 -1.605
264 1HD ARG 34 HD2 ARG 34 7.151 -3.156 -1.678
265 2HD ARG 34 HD3 ARG 34 6.323 -3.393 -0.074
266 HE ARG 34 HE ARG 34 5.129 -5.270 -1.818
267 1HH1 ARG 34 HH12 ARG 34 8.455 -4.604 -0.681
268 2HH1 ARG 34 HH11 ARG 34 8.965 -6.256 -0.800
269 1HH2 ARG 34 HH22 ARG 34 5.849 -7.479 -1.987
270 2HH2 ARG 34 HH21 ARG 34 7.472 -7.904 -1.550
271 H CYS 35 HN CYS 35 1.364 -4.549 -1.145
272 HA CYS 35 HA CYS 35 -0.586 -3.530 0.682
273 1HB CYS 35 HB2 CYS 35 -1.570 -3.457 -1.771
274 2HB CYS 35 HB3 CYS 35 -1.691 -5.225 -1.627
275 H TYR 36 HN TYR 36 -1.183 -5.112 2.079
276 HA TYR 36 HA TYR 36 0.378 -7.623 2.080
277 1HB TYR 36 HB2 TYR 36 0.497 -5.197 3.968
278 2HB TYR 36 HB3 TYR 36 0.976 -6.826 4.587
279 HD1 TYR 36 HD2 TYR 36 2.611 -8.083 2.657
280 HD2 TYR 36 HD1 TYR 36 2.314 -3.899 3.557
281 HE1 TYR 36 HE2 TYR 36 4.953 -7.758 1.934
282 HE2 TYR 36 HE1 TYR 36 4.643 -3.559 2.798
283 HH TYR 36 HH TYR 36 6.512 -4.519 2.044
284 H SER 37 HN SER 37 -1.936 -8.220 1.530
285 HA SER 37 HA SER 37 -3.992 -7.802 3.438
286 1HB SER 37 HB2 SER 37 -3.800 -9.777 1.094
287 2HB SER 37 HB3 SER 37 -5.298 -9.399 2.030
288 HG SER 37 HG SER 37 -5.091 -8.219 0.105
No H/Q in entry = 288
Start of MODEL 27
1 HA PCA 1 HA PGL 1 -3.746 -8.686 -3.922
2 1HB PCA 1 HB2 PGL 1 -0.983 -9.817 -4.228
3 2HB PCA 1 HB3 PGL 1 -2.525 -10.643 -3.810
4 1HG PCA 1 HG2 PGL 1 -1.108 -10.604 -6.381
5 2HG PCA 1 HG3 PGL 1 -2.670 -11.450 -5.982
6 HN PCA 1 HN PGL 1 -3.734 -7.570 -6.143
7 H PHE 2 HN PHE 2 -1.183 -7.146 -5.848
8 HA PHE 2 HA PHE 2 -0.367 -5.411 -3.615
9 1HB PHE 2 HB2 PHE 2 1.240 -6.401 -6.077
10 2HB PHE 2 HB3 PHE 2 1.853 -5.241 -4.839
11 HD1 PHE 2 HD1 PHE 2 1.778 -6.046 -2.359
12 HD2 PHE 2 HD2 PHE 2 1.632 -8.680 -5.752
13 HE1 PHE 2 HE1 PHE 2 2.577 -7.911 -0.944
14 HE2 PHE 2 HE2 PHE 2 2.426 -10.545 -4.337
15 HZ PHE 2 HZ PHE 2 2.887 -10.170 -1.928
16 H THR 3 HN THR 3 0.277 -3.253 -4.296
17 HA THR 3 HA THR 3 -1.147 -2.195 -6.633
18 HB THR 3 HB THR 3 -1.012 -0.012 -5.453
19 HG1 THR 3 HG1 THR 3 -0.291 0.090 -3.418
20 1HG2 THR 3 HG21 THR 3 -2.997 -1.565 -5.248
21 2HG2 THR 3 HG22 THR 3 -2.299 -2.228 -3.723
22 3HG2 THR 3 HG23 THR 3 -2.762 -0.494 -3.804
23 H ASN 4 HN ASN 4 0.104 -0.197 -7.562
24 HA ASN 4 HA ASN 4 2.989 -0.380 -7.395
25 1HB ASN 4 HB2 ASN 4 3.139 -0.465 -9.969
26 2HB ASN 4 HB3 ASN 4 2.763 -1.992 -9.128
27 1HD2 ASN 4 HD22 ASN 4 0.029 -0.377 -11.777
28 2HD2 ASN 4 HD21 ASN 4 1.448 0.502 -11.313
29 H VAL 5 HN VAL 5 1.474 1.448 -6.183
30 HA VAL 5 HA VAL 5 1.557 3.869 -7.827
31 HB VAL 5 HB VAL 5 0.964 3.924 -4.850
32 1HG1 VAL 5 HG13 VAL 5 -0.173 5.351 -7.359
33 2HG1 VAL 5 HG11 VAL 5 -0.676 5.644 -5.653
34 3HG1 VAL 5 HG12 VAL 5 0.985 6.072 -6.180
35 1HG2 VAL 5 HG22 VAL 5 -0.857 2.722 -7.021
36 2HG2 VAL 5 HG23 VAL 5 -0.299 1.989 -5.451
37 3HG2 VAL 5 HG21 VAL 5 -1.439 3.383 -5.457
38 H SER 6 HN SER 6 2.621 5.776 -6.157
39 HA SER 6 HA SER 6 5.280 4.805 -5.324
40 1HB SER 6 HB2 SER 6 6.103 7.183 -5.707
41 2HB SER 6 HB3 SER 6 5.776 6.164 -7.136
42 HG SER 6 HG SER 6 4.958 8.247 -7.359
43 H CYS 7 HN CYS 7 5.795 5.041 -3.285
44 HA CYS 7 HA CYS 7 3.805 6.366 -1.518
45 1HB CYS 7 HB2 CYS 7 4.272 4.949 0.228
46 2HB CYS 7 HB3 CYS 7 4.259 3.917 -1.191
47 H THR 8 HN THR 8 4.714 7.188 0.611
48 HA THR 8 HA THR 8 7.351 8.463 0.377
49 HB THR 8 HB THR 8 6.450 10.296 1.910
50 HG1 THR 8 HG1 THR 8 3.999 9.374 0.807
51 1HG2 THR 8 HG22 THR 8 7.068 10.625 -0.493
52 2HG2 THR 8 HG23 THR 8 5.398 10.164 -0.994
53 3HG2 THR 8 HG21 THR 8 5.668 11.648 -0.006
54 H THR 9 HN THR 9 4.683 7.495 2.608
55 HA THR 9 HA THR 9 6.609 6.153 4.377
56 HB THR 9 HB THR 9 5.162 6.994 6.327
57 HG1 THR 9 HG1 THR 9 4.443 8.920 4.362
58 1HG2 THR 9 HG22 THR 9 7.483 7.795 5.830
59 2HG2 THR 9 HG23 THR 9 6.808 9.098 4.777
60 3HG2 THR 9 HG21 THR 9 6.434 9.077 6.538
61 H SER 10 HN SER 10 5.605 4.542 5.712
62 HA SER 10 HA SER 10 3.472 3.055 4.423
63 1HB SER 10 HB2 SER 10 5.353 2.321 6.748
64 2HB SER 10 HB3 SER 10 4.186 1.202 5.935
65 HG SER 10 HG SER 10 6.325 2.589 4.702
66 H LYS 11 HN LYS 11 2.078 5.032 5.190
67 HA LYS 11 HA LYS 11 0.399 4.201 7.256
68 1HB LYS 11 HB2 LYS 11 0.492 6.054 8.822
69 2HB LYS 11 HB3 LYS 11 2.056 5.195 8.775
70 1HG LYS 11 HG2 LYS 11 3.006 7.033 7.320
71 2HG LYS 11 HG3 LYS 11 1.450 7.923 7.494
72 1HD LYS 11 HD2 LYS 11 1.743 7.818 10.019
73 2HD LYS 11 HD3 LYS 11 3.390 7.146 9.757
74 1HE LYS 11 HE2 LYS 11 2.373 9.902 8.746
75 2HE LYS 11 HE3 LYS 11 3.399 9.630 10.212
76 1HZ LYS 11 HZ3 LYS 11 4.144 8.959 7.417
77 2HZ LYS 11 HZ1 LYS 11 4.682 10.296 8.316
78 3HZ LYS 11 HZ2 LYS 11 5.102 8.723 8.799
79 H GLU 12 HN GLU 12 1.546 6.762 4.990
80 HA GLU 12 HA GLU 12 -0.730 8.148 4.559
81 1HB GLU 12 HB2 GLU 12 1.775 8.504 4.075
82 2HB GLU 12 HB3 GLU 12 1.596 7.562 2.599
83 1HG GLU 12 HG2 GLU 12 -0.482 9.722 2.883
84 2HG GLU 12 HG3 GLU 12 1.193 10.349 3.057
85 1HN ABA 13 HN ABA 13 0.478 5.204 3.011
86 HA ABA 13 HA ABA 13 -1.516 5.221 0.864
87 1HB ABA 13 HB3 ABA 13 0.853 5.221 0.253
88 2HB ABA 13 HB2 ABA 13 0.056 3.729 -0.282
89 1HG ABA 13 HG1 ABA 13 1.117 2.482 1.651
90 2HG ABA 13 HG2 ABA 13 2.312 3.300 0.587
91 3HG ABA 13 HG3 ABA 13 1.895 4.023 2.198
92 H TRP 14 HN TRP 14 -2.265 4.487 3.609
93 HA TRP 14 HA TRP 14 -2.939 1.674 3.475
94 1HB TRP 14 HB2 TRP 14 -3.361 3.861 5.567
95 2HB TRP 14 HB3 TRP 14 -4.120 2.240 5.721
96 HD1 TRP 14 HD1 TRP 14 -0.353 2.734 4.589
97 HE1 TRP 14 HE1 TRP 14 0.975 1.149 6.025
98 HE3 TRP 14 HE3 TRP 14 -4.025 1.458 7.914
99 HZ2 TRP 14 HZ2 TRP 14 0.591 -0.405 8.406
100 HZ3 TRP 14 HZ3 TRP 14 -3.495 -0.153 9.709
101 HH2 TRP 14 HH2 TRP 14 -1.227 -1.117 9.912
102 H SER 15 HN SER 15 -4.475 4.751 2.540
103 HA SER 15 HA SER 15 -7.086 3.543 2.248
104 1HB SER 15 HB2 SER 15 -7.793 5.841 1.531
105 2HB SER 15 HB3 SER 15 -7.106 5.762 3.185
106 HG SER 15 HG SER 15 -5.746 6.596 0.847
107 H VAL 16 HN VAL 16 -4.253 3.296 0.620
108 HA VAL 16 HA VAL 16 -5.416 3.230 -2.079
109 HB VAL 16 HB VAL 16 -2.559 2.721 -1.054
110 1HG1 VAL 16 HG12 VAL 16 -3.678 2.970 -3.930
111 2HG1 VAL 16 HG13 VAL 16 -1.933 2.949 -3.473
112 3HG1 VAL 16 HG11 VAL 16 -2.939 1.494 -3.194
113 1HG2 VAL 16 HG23 VAL 16 -3.869 5.163 -2.414
114 2HG2 VAL 16 HG21 VAL 16 -3.251 5.088 -0.721
115 3HG2 VAL 16 HG22 VAL 16 -2.107 4.968 -2.099
116 H CYS 17 HN CYS 17 -4.407 1.077 0.601
117 HA CYS 17 HA CYS 17 -4.964 -1.347 -0.710
118 1HB CYS 17 HB2 CYS 17 -4.761 -0.404 2.179
119 2HB CYS 17 HB3 CYS 17 -5.383 -2.051 1.889
120 H GLN 18 HN GLN 18 -7.175 1.099 0.595
121 HA GLN 18 HA GLN 18 -9.423 -0.715 0.877
122 1HB GLN 18 HB2 GLN 18 -9.271 2.324 1.260
123 2HB GLN 18 HB3 GLN 18 -10.672 1.243 1.665
124 1HG GLN 18 HG2 GLN 18 -9.321 0.064 3.352
125 2HG GLN 18 HG3 GLN 18 -7.896 1.104 2.970
126 1HE2 GLN 18 HE22 GLN 18 -10.902 2.440 5.446
127 2HE2 GLN 18 HE21 GLN 18 -10.874 0.843 4.774
128 H ARG 19 HN ARG 19 -8.271 1.881 -1.280
129 HA ARG 19 HA ARG 19 -10.713 2.140 -2.756
130 1HB ARG 19 HB2 ARG 19 -7.930 3.355 -3.059
131 2HB ARG 19 HB3 ARG 19 -9.274 3.762 -4.184
132 1HG ARG 19 HG2 ARG 19 -9.566 4.075 -1.157
133 2HG ARG 19 HG3 ARG 19 -8.827 5.350 -2.172
134 1HD ARG 19 HD2 ARG 19 -11.609 4.190 -2.817
135 2HD ARG 19 HD3 ARG 19 -11.384 5.509 -1.607
136 HE ARG 19 HE ARG 19 -10.772 5.631 -4.582
137 1HH1 ARG 19 HH12 ARG 19 -11.068 7.372 -1.467
138 2HH1 ARG 19 HH11 ARG 19 -10.945 8.942 -2.191
139 1HH2 ARG 19 HH22 ARG 19 -10.600 7.748 -5.518
140 2HH2 ARG 19 HH21 ARG 19 -10.678 9.155 -4.510
141 H LEU 20 HN LEU 20 -7.827 0.198 -3.110
142 HA LEU 20 HA LEU 20 -8.318 -0.532 -5.891
143 1HB LEU 20 HB2 LEU 20 -6.144 -0.926 -3.831
144 2HB LEU 20 HB3 LEU 20 -6.254 -2.150 -5.137
145 HG LEU 20 HG LEU 20 -4.639 -0.371 -5.482
146 1HD1 LEU 20 HD12 LEU 20 -5.495 -1.799 -7.328
147 2HD1 LEU 20 HD13 LEU 20 -6.795 -0.599 -7.679
148 3HD1 LEU 20 HD11 LEU 20 -5.065 -0.154 -7.927
149 1HD2 LEU 20 HD22 LEU 20 -5.862 1.658 -4.694
150 2HD2 LEU 20 HD23 LEU 20 -5.202 1.850 -6.356
151 3HD2 LEU 20 HD21 LEU 20 -6.960 1.548 -6.121
152 H HIS 21 HN HIS 21 -7.792 -2.272 -2.766
153 HA HIS 21 HA HIS 21 -9.527 -4.456 -3.654
154 1HB HIS 21 HB2 HIS 21 -7.441 -4.306 -1.406
155 2HB HIS 21 HB3 HIS 21 -8.361 -5.773 -1.915
156 HD1 HIS 21 HD1 HIS 21 -7.739 -6.594 -4.485
157 HD2 HIS 21 HD2 HIS 21 -5.197 -3.686 -2.849
158 HE1 HIS 21 HE1 HIS 21 -5.610 -6.516 -5.897
159 H ASN 22 HN ASN 22 -8.997 -4.313 -0.348
160 HA ASN 22 HA ASN 22 -10.879 -2.655 0.718
161 1HB ASN 22 HB2 ASN 22 -12.814 -4.285 1.331
162 2HB ASN 22 HB3 ASN 22 -12.806 -3.579 -0.293
163 1HD2 ASN 22 HD22 ASN 22 -12.995 -6.661 -1.953
164 2HD2 ASN 22 HD21 ASN 22 -13.218 -4.944 -1.953
165 H THR 23 HN THR 23 -8.581 -2.936 1.704
166 HA THR 23 HA THR 23 -8.925 -4.502 4.103
167 HB THR 23 HB THR 23 -7.800 -6.043 2.387
168 HG1 THR 23 HG1 THR 23 -6.423 -6.841 3.920
169 1HG2 THR 23 HG22 THR 23 -6.157 -4.333 1.463
170 2HG2 THR 23 HG23 THR 23 -5.300 -4.368 3.063
171 3HG2 THR 23 HG21 THR 23 -5.385 -5.848 2.060
172 H SER 24 HN SER 24 -6.583 -3.951 5.367
173 HA SER 24 HA SER 24 -6.196 -1.055 5.091
174 1HB SER 24 HB2 SER 24 -6.715 -0.584 7.476
175 2HB SER 24 HB3 SER 24 -8.144 -1.113 6.540
176 HG SER 24 HG SER 24 -6.628 -2.586 8.405
177 H ARG 25 HN ARG 25 -4.966 -4.211 5.796
178 HA ARG 25 HA ARG 25 -2.529 -3.167 7.015
179 1HB ARG 25 HB2 ARG 25 -1.986 -5.797 6.889
180 2HB ARG 25 HB3 ARG 25 -2.892 -5.056 8.225
181 1HG ARG 25 HG2 ARG 25 -4.446 -6.138 5.847
182 2HG ARG 25 HG3 ARG 25 -3.776 -7.264 7.065
183 1HD ARG 25 HD2 ARG 25 -5.248 -6.715 8.718
184 2HD ARG 25 HD3 ARG 25 -5.206 -4.943 8.326
185 HE ARG 25 HE ARG 25 -6.551 -6.001 6.157
186 1HH1 ARG 25 HH22 ARG 25 -7.081 -6.101 9.698
187 2HH1 ARG 25 HH21 ARG 25 -8.809 -6.110 9.566
188 1HH2 ARG 25 HH12 ARG 25 -8.871 -6.030 6.015
189 2HH2 ARG 25 HH11 ARG 25 -9.836 -6.070 7.454
190 H GLY 26 HN GLY 26 -0.853 -2.773 5.894
191 1HA GLY 26 HA1 GLY 26 -0.059 -3.649 3.390
192 2HA GLY 26 HA2 GLY 26 -1.074 -2.139 3.264
193 H LYS 27 HN LYS 27 1.784 -2.232 2.725
194 HA LYS 27 HA LYS 27 2.673 -0.231 4.636
195 1HB LYS 27 HB2 LYS 27 4.489 -2.625 3.891
196 2HB LYS 27 HB3 LYS 27 4.924 -1.207 4.912
197 1HG LYS 27 HG2 LYS 27 3.246 -2.011 6.634
198 2HG LYS 27 HG3 LYS 27 2.942 -3.439 5.582
199 1HD LYS 27 HD2 LYS 27 5.662 -3.596 5.720
200 2HD LYS 27 HD3 LYS 27 5.342 -2.801 7.302
201 1HE LYS 27 HE2 LYS 27 3.725 -4.700 7.868
202 2HE LYS 27 HE3 LYS 27 4.096 -5.450 6.259
203 1HZ LYS 27 HZ3 LYS 27 6.425 -5.546 6.952
204 2HZ LYS 27 HZ1 LYS 27 5.997 -4.965 8.490
205 3HZ LYS 27 HZ2 LYS 27 5.394 -6.456 7.946
206 H CYS 28 HN CYS 28 5.317 -0.301 3.304
207 HA CYS 28 HA CYS 28 4.932 -0.373 0.515
208 1HB CYS 28 HB2 CYS 28 4.794 1.948 -0.062
209 2HB CYS 28 HB3 CYS 28 3.993 2.017 1.485
210 H MET 29 HN MET 29 7.195 0.611 -0.439
211 HA MET 29 HA MET 29 9.252 -0.729 1.189
212 1HB MET 29 HB2 MET 29 8.480 -1.648 -1.156
213 2HB MET 29 HB3 MET 29 9.501 -0.352 -1.815
214 1HG MET 29 HG2 MET 29 11.224 -1.382 0.057
215 2HG MET 29 HG3 MET 29 10.153 -2.804 -0.102
216 1HE MET 29 HE3 MET 29 9.318 -3.084 -2.999
217 2HE MET 29 HE1 MET 29 10.673 -3.938 -3.819
218 3HE MET 29 HE2 MET 29 10.178 -4.424 -2.163
219 H ASN 30 HN ASN 30 11.003 0.721 -1.052
220 HA ASN 30 HA ASN 30 11.480 3.120 0.471
221 1HB ASN 30 HB2 ASN 30 13.424 3.424 -1.235
222 2HB ASN 30 HB3 ASN 30 13.474 2.123 -0.017
223 1HD2 ASN 30 HD22 ASN 30 12.979 1.063 -4.024
224 2HD2 ASN 30 HD21 ASN 30 12.487 2.638 -3.498
225 H LYS 31 HN LYS 31 10.018 2.367 -2.674
226 HA LYS 31 HA LYS 31 9.400 5.220 -3.074
227 1HB LYS 31 HB2 LYS 31 10.631 3.254 -5.087
228 2HB LYS 31 HB3 LYS 31 9.983 4.867 -5.529
229 1HG LYS 31 HG2 LYS 31 11.665 6.013 -4.183
230 2HG LYS 31 HG3 LYS 31 12.357 4.444 -3.642
231 1HD LYS 31 HD2 LYS 31 12.846 3.821 -5.997
232 2HD LYS 31 HD3 LYS 31 12.210 5.413 -6.553
233 1HE LYS 31 HE2 LYS 31 14.016 6.587 -5.225
234 2HE LYS 31 HE3 LYS 31 14.655 4.978 -4.693
235 1HZ LYS 31 HZ1 LYS 31 15.038 4.442 -7.013
236 2HZ LYS 31 HZ2 LYS 31 14.471 5.969 -7.491
237 3HZ LYS 31 HZ3 LYS 31 15.874 5.843 -6.542
238 H LYS 32 HN LYS 32 7.851 2.132 -2.689
239 HA LYS 32 HA LYS 32 5.749 2.992 -4.512
240 1HB LYS 32 HB2 LYS 32 5.535 1.082 -5.747
241 2HB LYS 32 HB3 LYS 32 7.246 1.579 -5.907
242 1HG LYS 32 HG2 LYS 32 7.827 -0.185 -4.102
243 2HG LYS 32 HG3 LYS 32 6.124 -0.762 -4.246
244 1HD LYS 32 HD2 LYS 32 6.508 -0.958 -6.758
245 2HD LYS 32 HD3 LYS 32 8.259 -0.675 -6.433
246 1HE LYS 32 HE2 LYS 32 8.190 -2.732 -4.850
247 2HE LYS 32 HE3 LYS 32 6.489 -3.015 -5.399
248 1HZ LYS 32 HZ3 LYS 32 7.330 -3.212 -7.653
249 2HZ LYS 32 HZ1 LYS 32 8.923 -2.983 -7.107
250 3HZ LYS 32 HZ2 LYS 32 8.044 -4.347 -6.609
251 1HN ABA 33 HN ABA 33 3.688 1.995 -4.084
252 HA ABA 33 HA ABA 33 3.283 1.324 -1.319
253 1HB ABA 33 HB3 ABA 33 1.351 1.733 -3.640
254 2HB ABA 33 HB2 ABA 33 1.924 2.975 -2.470
255 1HG ABA 33 HG1 ABA 33 0.995 1.692 -0.578
256 2HG ABA 33 HG2 ABA 33 -0.264 2.241 -1.758
257 3HG ABA 33 HG3 ABA 33 0.233 0.514 -1.697
258 H ARG 34 HN ARG 34 2.378 -0.676 -0.619
259 HA ARG 34 HA ARG 34 1.792 -2.774 -2.524
260 1HB ARG 34 HB2 ARG 34 3.883 -3.130 -0.313
261 2HB ARG 34 HB3 ARG 34 2.922 -4.511 -0.954
262 1HG ARG 34 HG2 ARG 34 3.653 -3.923 -3.288
263 2HG ARG 34 HG3 ARG 34 4.819 -2.750 -2.582
264 1HD ARG 34 HD2 ARG 34 4.721 -5.788 -1.956
265 2HD ARG 34 HD3 ARG 34 5.809 -4.996 -3.178
266 HE ARG 34 HE ARG 34 5.936 -3.840 -0.427
267 1HH1 ARG 34 HH12 ARG 34 7.278 -6.294 -2.654
268 2HH1 ARG 34 HH11 ARG 34 8.766 -6.467 -1.782
269 1HH2 ARG 34 HH22 ARG 34 7.951 -4.096 0.732
270 2HH2 ARG 34 HH21 ARG 34 9.150 -5.208 0.154
271 H CYS 35 HN CYS 35 0.881 -4.674 -0.989
272 HA CYS 35 HA CYS 35 -0.736 -3.627 1.111
273 1HB CYS 35 HB2 CYS 35 -1.944 -3.184 -1.197
274 2HB CYS 35 HB3 CYS 35 -2.231 -4.942 -1.234
275 H TYR 36 HN TYR 36 -1.444 -5.324 2.395
276 HA TYR 36 HA TYR 36 0.086 -7.845 2.021
277 1HB TYR 36 HB2 TYR 36 0.306 -5.647 4.126
278 2HB TYR 36 HB3 TYR 36 0.696 -7.347 4.610
279 HD1 TYR 36 HD1 TYR 36 2.447 -8.602 3.350
280 HD2 TYR 36 HD2 TYR 36 1.902 -4.375 2.904
281 HE1 TYR 36 HE1 TYR 36 4.819 -8.366 2.659
282 HE2 TYR 36 HE2 TYR 36 4.256 -4.114 2.230
283 HH TYR 36 HH TYR 36 6.461 -6.964 2.090
284 H SER 37 HN SER 37 -1.985 -8.719 1.527
285 HA SER 37 HA SER 37 -3.397 -9.549 3.992
286 1HB SER 37 HB2 SER 37 -4.345 -9.660 1.064
287 2HB SER 37 HB3 SER 37 -5.181 -10.448 2.462
288 HG SER 37 HG SER 37 -6.059 -8.454 1.977
No H/Q in entry = 288
Start of MODEL 28
1 HA PCA 1 HA PGL 1 -3.953 -7.777 -5.785
2 1HB PCA 1 HB2 PGL 1 -3.629 -9.216 -3.322
3 2HB PCA 1 HB3 PGL 1 -4.617 -9.713 -4.729
4 1HG PCA 1 HG2 PGL 1 -1.834 -10.683 -3.979
5 2HG PCA 1 HG3 PGL 1 -3.207 -11.579 -4.776
6 HN PCA 1 HN PGL 1 -2.040 -8.401 -7.127
7 H PHE 2 HN PHE 2 -1.329 -6.701 -6.301
8 HA PHE 2 HA PHE 2 -0.657 -5.272 -3.815
9 1HB PHE 2 HB2 PHE 2 1.218 -6.153 -6.132
10 2HB PHE 2 HB3 PHE 2 1.705 -5.230 -4.659
11 HD1 PHE 2 HD2 PHE 2 0.756 -6.450 -2.390
12 HD2 PHE 2 HD1 PHE 2 1.754 -8.413 -6.074
13 HE1 PHE 2 HE2 PHE 2 1.065 -8.582 -1.166
14 HE2 PHE 2 HE1 PHE 2 2.067 -10.542 -4.854
15 HZ PHE 2 HZ PHE 2 1.716 -10.633 -2.401
16 H THR 3 HN THR 3 0.281 -3.062 -4.356
17 HA THR 3 HA THR 3 -1.136 -1.883 -6.627
18 HB THR 3 HB THR 3 -1.543 -0.007 -5.504
19 HG1 THR 3 HG1 THR 3 -0.355 0.703 -3.692
20 1HG2 THR 3 HG21 THR 3 -2.496 -1.951 -4.108
21 2HG2 THR 3 HG22 THR 3 -1.037 -1.851 -3.065
22 3HG2 THR 3 HG23 THR 3 -2.169 -0.468 -3.148
23 H ASN 4 HN ASN 4 0.145 0.134 -7.547
24 HA ASN 4 HA ASN 4 3.017 -0.158 -7.519
25 1HB ASN 4 HB2 ASN 4 3.088 -0.184 -10.081
26 2HB ASN 4 HB3 ASN 4 2.600 -1.723 -9.324
27 1HD2 ASN 4 HD22 ASN 4 -0.665 -1.852 -10.742
28 2HD2 ASN 4 HD21 ASN 4 0.412 -2.492 -9.546
29 H VAL 5 HN VAL 5 1.526 1.685 -6.216
30 HA VAL 5 HA VAL 5 1.695 4.134 -7.828
31 HB VAL 5 HB VAL 5 1.066 4.246 -4.866
32 1HG1 VAL 5 HG11 VAL 5 -0.068 5.598 -7.414
33 2HG1 VAL 5 HG12 VAL 5 -0.514 5.984 -5.710
34 3HG1 VAL 5 HG13 VAL 5 1.147 6.330 -6.301
35 1HG2 VAL 5 HG21 VAL 5 -0.820 3.045 -6.977
36 2HG2 VAL 5 HG22 VAL 5 -0.190 2.289 -5.451
37 3HG2 VAL 5 HG23 VAL 5 -1.316 3.685 -5.366
38 H SER 6 HN SER 6 2.813 5.996 -6.180
39 HA SER 6 HA SER 6 5.431 4.932 -5.335
40 1HB SER 6 HB2 SER 6 6.239 7.341 -5.523
41 2HB SER 6 HB3 SER 6 5.903 6.457 -7.038
42 HG SER 6 HG SER 6 4.133 8.268 -5.760
43 H CYS 7 HN CYS 7 6.013 5.107 -3.271
44 HA CYS 7 HA CYS 7 4.047 6.355 -1.405
45 1HB CYS 7 HB2 CYS 7 4.552 4.972 0.295
46 2HB CYS 7 HB3 CYS 7 4.474 3.943 -1.126
47 H THR 8 HN THR 8 5.015 7.247 0.629
48 HA THR 8 HA THR 8 7.731 8.321 0.414
49 HB THR 8 HB THR 8 6.974 10.352 1.751
50 HG1 THR 8 HG1 THR 8 4.472 9.563 0.662
51 1HG2 THR 8 HG21 THR 8 7.678 10.414 -0.656
52 2HG2 THR 8 HG22 THR 8 5.974 10.108 -1.163
53 3HG2 THR 8 HG23 THR 8 6.394 11.621 -0.286
54 H THR 9 HN THR 9 4.854 7.590 2.465
55 HA THR 9 HA THR 9 6.615 6.492 4.557
56 HB THR 9 HB THR 9 4.828 7.283 6.200
57 HG1 THR 9 HG1 THR 9 3.616 9.045 5.501
58 1HG2 THR 9 HG23 THR 9 7.067 8.380 5.925
59 2HG2 THR 9 HG21 THR 9 6.376 9.473 4.667
60 3HG2 THR 9 HG22 THR 9 5.769 9.549 6.362
61 H SER 10 HN SER 10 5.711 4.781 5.756
62 HA SER 10 HA SER 10 3.559 3.219 4.547
63 1HB SER 10 HB2 SER 10 5.422 2.560 6.910
64 2HB SER 10 HB3 SER 10 4.195 1.454 6.165
65 HG SER 10 HG SER 10 5.352 1.619 4.243
66 H LYS 11 HN LYS 11 1.909 4.761 4.974
67 HA LYS 11 HA LYS 11 0.580 4.824 7.421
68 1HB LYS 11 HB2 LYS 11 2.514 6.320 8.078
69 2HB LYS 11 HB3 LYS 11 2.144 7.420 6.724
70 1HG LYS 11 HG2 LYS 11 -0.024 6.745 8.775
71 2HG LYS 11 HG3 LYS 11 1.354 7.784 9.276
72 1HD LYS 11 HD2 LYS 11 0.871 9.386 7.432
73 2HD LYS 11 HD3 LYS 11 -0.579 8.425 6.969
74 1HE LYS 11 HE2 LYS 11 -1.583 8.836 9.243
75 2HE LYS 11 HE3 LYS 11 -0.121 9.801 9.704
76 1HZ LYS 11 HZ1 LYS 11 -1.994 10.419 7.477
77 2HZ LYS 11 HZ2 LYS 11 -1.933 11.181 8.995
78 3HZ LYS 11 HZ3 LYS 11 -0.625 11.321 7.921
79 H GLU 12 HN GLU 12 1.522 6.470 4.376
80 HA GLU 12 HA GLU 12 -0.772 7.615 3.545
81 1HB GLU 12 HB2 GLU 12 1.793 7.677 2.962
82 2HB GLU 12 HB3 GLU 12 1.459 6.423 1.765
83 1HG GLU 12 HG2 GLU 12 -0.270 7.996 0.687
84 2HG GLU 12 HG3 GLU 12 0.157 9.215 1.953
85 1HN ABA 13 HN ABA 13 0.175 4.301 3.419
86 HA ABA 13 HA ABA 13 -1.088 3.609 0.931
87 1HB ABA 13 HB3 ABA 13 0.129 1.547 1.117
88 2HB ABA 13 HB2 ABA 13 0.467 1.809 2.870
89 1HG ABA 13 HG1 ABA 13 2.381 2.245 1.318
90 2HG ABA 13 HG2 ABA 13 1.529 3.677 0.645
91 3HG ABA 13 HG3 ABA 13 2.001 3.651 2.395
92 H TRP 14 HN TRP 14 -2.511 3.930 3.820
93 HA TRP 14 HA TRP 14 -4.073 1.508 4.025
94 1HB TRP 14 HB2 TRP 14 -3.707 4.128 5.525
95 2HB TRP 14 HB3 TRP 14 -5.287 3.290 5.747
96 HD1 TRP 14 HD1 TRP 14 -5.496 1.352 7.244
97 HE1 TRP 14 HE1 TRP 14 -3.924 -0.224 8.461
98 HE3 TRP 14 HE3 TRP 14 -1.057 3.089 5.449
99 HZ2 TRP 14 HZ2 TRP 14 -1.114 -0.456 8.976
100 HZ3 TRP 14 HZ3 TRP 14 1.033 2.053 6.242
101 HH2 TRP 14 HH2 TRP 14 1.017 0.335 8.003
102 H SER 15 HN SER 15 -4.475 4.717 2.455
103 HA SER 15 HA SER 15 -7.270 4.201 1.877
104 1HB SER 15 HB2 SER 15 -7.180 6.494 0.825
105 2HB SER 15 HB3 SER 15 -6.762 6.450 2.570
106 HG SER 15 HG SER 15 -5.361 7.732 1.376
107 H VAL 16 HN VAL 16 -4.294 3.179 0.632
108 HA VAL 16 HA VAL 16 -5.159 3.176 -2.150
109 HB VAL 16 HB VAL 16 -2.495 2.243 -1.002
110 1HG1 VAL 16 HG13 VAL 16 -3.466 3.049 -3.841
111 2HG1 VAL 16 HG11 VAL 16 -1.779 2.607 -3.389
112 3HG1 VAL 16 HG12 VAL 16 -3.075 1.372 -3.314
113 1HG2 VAL 16 HG23 VAL 16 -3.404 5.002 -2.059
114 2HG2 VAL 16 HG21 VAL 16 -2.800 4.622 -0.399
115 3HG2 VAL 16 HG22 VAL 16 -1.692 4.510 -1.804
116 H CYS 17 HN CYS 17 -4.812 0.976 0.711
117 HA CYS 17 HA CYS 17 -5.285 -1.388 -0.909
118 1HB CYS 17 HB2 CYS 17 -4.897 -0.779 2.070
119 2HB CYS 17 HB3 CYS 17 -5.449 -2.397 1.558
120 H GLN 18 HN GLN 18 -7.306 1.039 0.634
121 HA GLN 18 HA GLN 18 -9.622 -0.709 0.867
122 1HB GLN 18 HB2 GLN 18 -9.314 2.293 1.362
123 2HB GLN 18 HB3 GLN 18 -10.823 1.326 1.647
124 1HG GLN 18 HG2 GLN 18 -9.710 -0.065 3.307
125 2HG GLN 18 HG3 GLN 18 -8.148 0.781 3.016
126 1HE2 GLN 18 HE22 GLN 18 -10.532 2.245 5.867
127 2HE2 GLN 18 HE21 GLN 18 -10.470 0.610 5.299
128 H ARG 19 HN ARG 19 -8.310 1.815 -1.262
129 HA ARG 19 HA ARG 19 -10.681 2.102 -2.845
130 1HB ARG 19 HB2 ARG 19 -9.713 3.813 -3.999
131 2HB ARG 19 HB3 ARG 19 -9.071 3.930 -2.338
132 1HG ARG 19 HG2 ARG 19 -7.136 4.349 -3.452
133 2HG ARG 19 HG3 ARG 19 -7.000 2.568 -3.349
134 1HD ARG 19 HD2 ARG 19 -6.397 3.288 -5.631
135 2HD ARG 19 HD3 ARG 19 -8.003 2.440 -5.702
136 HE ARG 19 HE ARG 19 -8.005 5.434 -5.383
137 1HH1 ARG 19 HH22 ARG 19 -8.421 2.661 -7.609
138 2HH1 ARG 19 HH21 ARG 19 -9.241 3.593 -8.818
139 1HH2 ARG 19 HH12 ARG 19 -9.104 6.653 -7.016
140 2HH2 ARG 19 HH11 ARG 19 -9.634 5.886 -8.478
141 H LEU 20 HN LEU 20 -7.833 0.020 -3.037
142 HA LEU 20 HA LEU 20 -8.375 -0.822 -5.740
143 1HB LEU 20 HB2 LEU 20 -6.061 -0.375 -5.070
144 2HB LEU 20 HB3 LEU 20 -6.192 -1.553 -3.729
145 HG LEU 20 HG LEU 20 -6.505 -3.386 -5.324
146 1HD1 LEU 20 HD12 LEU 20 -6.066 -1.289 -7.565
147 2HD1 LEU 20 HD13 LEU 20 -6.083 -3.078 -7.801
148 3HD1 LEU 20 HD11 LEU 20 -7.578 -2.230 -7.277
149 1HD2 LEU 20 HD21 LEU 20 -4.254 -2.912 -4.574
150 2HD2 LEU 20 HD22 LEU 20 -4.206 -3.472 -6.283
151 3HD2 LEU 20 HD23 LEU 20 -3.997 -1.717 -5.910
152 H HIS 21 HN HIS 21 -8.310 -2.238 -2.358
153 HA HIS 21 HA HIS 21 -9.940 -4.495 -3.315
154 1HB HIS 21 HB2 HIS 21 -7.757 -4.408 -1.145
155 2HB HIS 21 HB3 HIS 21 -8.821 -5.821 -1.505
156 HD1 HIS 21 HD1 HIS 21 -8.459 -6.861 -4.014
157 HD2 HIS 21 HD2 HIS 21 -5.485 -4.201 -2.707
158 HE1 HIS 21 HE1 HIS 21 -6.384 -7.207 -5.466
159 H ASN 22 HN ASN 22 -9.339 -4.395 -0.037
160 HA ASN 22 HA ASN 22 -11.133 -2.595 1.018
161 1HB ASN 22 HB2 ASN 22 -13.044 -4.233 1.733
162 2HB ASN 22 HB3 ASN 22 -13.083 -3.560 0.092
163 1HD2 ASN 22 HD22 ASN 22 -13.294 -6.677 -1.495
164 2HD2 ASN 22 HD21 ASN 22 -13.554 -4.964 -1.511
165 H THR 23 HN THR 23 -8.761 -2.884 1.881
166 HA THR 23 HA THR 23 -8.993 -4.368 4.349
167 HB THR 23 HB THR 23 -7.989 -5.993 2.641
168 HG1 THR 23 HG1 THR 23 -6.504 -6.733 4.116
169 1HG2 THR 23 HG21 THR 23 -6.380 -4.365 1.532
170 2HG2 THR 23 HG22 THR 23 -5.437 -4.315 3.083
171 3HG2 THR 23 HG23 THR 23 -5.587 -5.850 2.178
172 H SER 24 HN SER 24 -6.721 -3.875 5.560
173 HA SER 24 HA SER 24 -5.959 -1.091 5.209
174 1HB SER 24 HB2 SER 24 -6.560 -0.526 7.612
175 2HB SER 24 HB3 SER 24 -7.949 -0.680 6.495
176 HG SER 24 HG SER 24 -8.284 -1.702 8.474
177 H ARG 25 HN ARG 25 -4.834 -3.788 4.831
178 HA ARG 25 HA ARG 25 -2.592 -3.697 6.739
179 1HB ARG 25 HB2 ARG 25 -4.065 -6.042 5.397
180 2HB ARG 25 HB3 ARG 25 -2.314 -6.165 5.789
181 1HG ARG 25 HG2 ARG 25 -3.614 -7.284 7.457
182 2HG ARG 25 HG3 ARG 25 -2.630 -5.941 8.122
183 1HD ARG 25 HD2 ARG 25 -4.853 -6.205 9.218
184 2HD ARG 25 HD3 ARG 25 -4.628 -4.561 8.501
185 HE ARG 25 HE ARG 25 -5.925 -5.857 6.440
186 1HH1 ARG 25 HH22 ARG 25 -6.621 -5.474 9.930
187 2HH1 ARG 25 HH21 ARG 25 -8.342 -5.454 9.724
188 1HH2 ARG 25 HH12 ARG 25 -8.263 -5.899 6.205
189 2HH2 ARG 25 HH11 ARG 25 -9.280 -5.699 7.594
190 H GLY 26 HN GLY 26 -0.988 -2.698 5.659
191 1HA GLY 26 HA1 GLY 26 -0.174 -3.223 3.052
192 2HA GLY 26 HA2 GLY 26 -1.267 -1.764 3.096
193 H LYS 27 HN LYS 27 1.791 -2.343 2.808
194 HA LYS 27 HA LYS 27 2.795 -0.185 4.463
195 1HB LYS 27 HB2 LYS 27 3.234 -2.003 5.964
196 2HB LYS 27 HB3 LYS 27 3.618 -3.137 4.640
197 1HG LYS 27 HG2 LYS 27 5.755 -2.095 4.224
198 2HG LYS 27 HG3 LYS 27 5.427 -0.776 5.414
199 1HD LYS 27 HD2 LYS 27 5.571 -3.777 6.116
200 2HD LYS 27 HD3 LYS 27 6.985 -2.666 6.155
201 1HE LYS 27 HE2 LYS 27 5.843 -1.227 7.877
202 2HE LYS 27 HE3 LYS 27 4.431 -2.361 7.880
203 1HZ LYS 27 HZ1 LYS 27 7.235 -3.076 8.554
204 2HZ LYS 27 HZ2 LYS 27 5.973 -2.797 9.659
205 3HZ LYS 27 HZ3 LYS 27 5.891 -4.112 8.588
206 H CYS 28 HN CYS 28 4.966 0.405 3.511
207 HA CYS 28 HA CYS 28 5.037 -0.152 0.605
208 1HB CYS 28 HB2 CYS 28 4.711 2.175 0.256
209 2HB CYS 28 HB3 CYS 28 4.298 2.224 1.955
210 H MET 29 HN MET 29 7.276 0.629 -0.269
211 HA MET 29 HA MET 29 9.301 -0.740 1.366
212 1HB MET 29 HB2 MET 29 8.422 -1.644 -0.932
213 2HB MET 29 HB3 MET 29 9.434 -0.380 -1.665
214 1HG MET 29 HG2 MET 29 11.372 -1.390 -0.194
215 2HG MET 29 HG3 MET 29 10.212 -2.695 0.227
216 1HE MET 29 HE3 MET 29 13.134 -2.955 -0.956
217 2HE MET 29 HE1 MET 29 12.083 -4.338 -0.496
218 3HE MET 29 HE2 MET 29 12.916 -4.331 -2.090
219 H ASN 30 HN ASN 30 11.065 0.589 -0.923
220 HA ASN 30 HA ASN 30 11.692 3.011 0.495
221 1HB ASN 30 HB2 ASN 30 13.605 3.154 -1.233
222 2HB ASN 30 HB3 ASN 30 13.602 1.832 -0.038
223 1HD2 ASN 30 HD22 ASN 30 13.706 -0.762 -2.395
224 2HD2 ASN 30 HD21 ASN 30 13.894 -0.217 -0.761
225 H LYS 31 HN LYS 31 10.132 2.205 -2.577
226 HA LYS 31 HA LYS 31 9.771 5.078 -3.177
227 1HB LYS 31 HB2 LYS 31 10.660 2.806 -5.026
228 2HB LYS 31 HB3 LYS 31 10.112 4.407 -5.627
229 1HG LYS 31 HG2 LYS 31 11.939 5.574 -4.571
230 2HG LYS 31 HG3 LYS 31 12.485 4.083 -3.736
231 1HD LYS 31 HD2 LYS 31 13.983 4.433 -5.514
232 2HD LYS 31 HD3 LYS 31 12.995 3.005 -5.954
233 1HE LYS 31 HE2 LYS 31 12.456 5.869 -7.032
234 2HE LYS 31 HE3 LYS 31 13.560 4.687 -7.840
235 1HZ LYS 31 HZ3 LYS 31 11.721 3.171 -8.060
236 2HZ LYS 31 HZ1 LYS 31 10.669 4.278 -7.315
237 3HZ LYS 31 HZ2 LYS 31 11.393 4.662 -8.803
238 H LYS 32 HN LYS 32 8.007 1.999 -2.765
239 HA LYS 32 HA LYS 32 5.902 3.064 -4.502
240 1HB LYS 32 HB2 LYS 32 5.524 1.172 -5.704
241 2HB LYS 32 HB3 LYS 32 7.269 1.520 -5.884
242 1HG LYS 32 HG2 LYS 32 7.747 -0.268 -4.114
243 2HG LYS 32 HG3 LYS 32 5.983 -0.672 -4.140
244 1HD LYS 32 HD2 LYS 32 6.109 -1.100 -6.584
245 2HD LYS 32 HD3 LYS 32 7.870 -0.753 -6.550
246 1HE LYS 32 HE2 LYS 32 7.496 -3.220 -6.531
247 2HE LYS 32 HE3 LYS 32 8.214 -2.703 -4.951
248 1HZ LYS 32 HZ3 LYS 32 5.992 -2.728 -4.015
249 2HZ LYS 32 HZ1 LYS 32 5.339 -3.246 -5.495
250 3HZ LYS 32 HZ2 LYS 32 6.424 -4.243 -4.650
251 1HN ABA 33 HN ABA 33 3.810 2.140 -4.100
252 HA ABA 33 HA ABA 33 3.357 1.564 -1.293
253 1HB ABA 33 HB3 ABA 33 1.596 2.327 -3.697
254 2HB ABA 33 HB2 ABA 33 2.209 3.413 -2.407
255 1HG ABA 33 HG1 ABA 33 0.995 2.005 -0.717
256 2HG ABA 33 HG2 ABA 33 -0.040 2.994 -1.812
257 3HG ABA 33 HG3 ABA 33 0.100 1.204 -2.043
258 H ARG 34 HN ARG 34 2.298 -0.374 -0.637
259 HA ARG 34 HA ARG 34 1.821 -2.429 -2.656
260 1HB ARG 34 HB2 ARG 34 4.267 -2.478 -1.512
261 2HB ARG 34 HB3 ARG 34 3.389 -3.313 -0.204
262 1HG ARG 34 HG2 ARG 34 2.528 -4.962 -1.969
263 2HG ARG 34 HG3 ARG 34 3.474 -4.056 -3.203
264 1HD ARG 34 HD2 ARG 34 5.598 -4.592 -1.913
265 2HD ARG 34 HD3 ARG 34 4.601 -5.550 -0.739
266 HE ARG 34 HE ARG 34 4.663 -6.125 -3.741
267 1HH1 ARG 34 HH12 ARG 34 4.984 -7.349 -0.390
268 2HH1 ARG 34 HH11 ARG 34 5.210 -8.993 -0.887
269 1HH2 ARG 34 HH22 ARG 34 4.973 -8.319 -4.367
270 2HH2 ARG 34 HH21 ARG 34 5.204 -9.551 -3.170
271 H CYS 35 HN CYS 35 1.039 -4.472 -1.075
272 HA CYS 35 HA CYS 35 -0.759 -3.536 0.944
273 1HB CYS 35 HB2 CYS 35 -1.887 -3.430 -1.488
274 2HB CYS 35 HB3 CYS 35 -2.005 -5.196 -1.326
275 H TYR 36 HN TYR 36 -1.543 -5.478 2.129
276 HA TYR 36 HA TYR 36 0.244 -7.803 1.868
277 1HB TYR 36 HB2 TYR 36 0.325 -5.597 3.978
278 2HB TYR 36 HB3 TYR 36 0.754 -7.275 4.502
279 HD1 TYR 36 HD2 TYR 36 2.406 -8.521 2.730
280 HD2 TYR 36 HD1 TYR 36 2.107 -4.288 3.342
281 HE1 TYR 36 HE2 TYR 36 4.708 -8.232 1.877
282 HE2 TYR 36 HE1 TYR 36 4.386 -3.979 2.490
283 HH TYR 36 HH TYR 36 6.369 -6.790 1.410
284 H SER 37 HN SER 37 -2.045 -8.353 1.160
285 HA SER 37 HA SER 37 -3.959 -8.773 3.270
286 1HB SER 37 HB2 SER 37 -3.887 -9.816 0.381
287 2HB SER 37 HB3 SER 37 -5.281 -9.955 1.523
288 HG SER 37 HG SER 37 -5.297 -7.685 1.616
No H/Q in entry = 288
Start of MODEL 29
1 HA PCA 1 HA PGL 1 -3.873 -8.306 -4.680
2 1HB PCA 1 HB2 PGL 1 -1.184 -9.462 -5.628
3 2HB PCA 1 HB3 PGL 1 -2.440 -10.229 -4.580
4 1HG PCA 1 HG2 PGL 1 -2.134 -10.728 -7.335
5 2HG PCA 1 HG3 PGL 1 -3.752 -10.821 -6.501
6 HN PCA 1 HN PGL 1 -3.688 -6.936 -6.843
7 H PHE 2 HN PHE 2 -1.301 -6.683 -6.536
8 HA PHE 2 HA PHE 2 -0.413 -5.160 -4.179
9 1HB PHE 2 HB2 PHE 2 1.252 -6.007 -6.658
10 2HB PHE 2 HB3 PHE 2 1.847 -5.098 -5.218
11 HD1 PHE 2 HD1 PHE 2 1.347 -6.345 -2.870
12 HD2 PHE 2 HD2 PHE 2 1.636 -8.276 -6.702
13 HE1 PHE 2 HE1 PHE 2 1.814 -8.502 -1.753
14 HE2 PHE 2 HE2 PHE 2 2.109 -10.428 -5.583
15 HZ PHE 2 HZ PHE 2 2.190 -10.548 -3.106
16 H THR 3 HN THR 3 0.411 -2.965 -4.877
17 HA THR 3 HA THR 3 -1.176 -1.837 -7.086
18 HB THR 3 HB THR 3 -0.948 0.310 -5.900
19 HG1 THR 3 HG1 THR 3 -0.100 0.332 -3.876
20 1HG2 THR 3 HG23 THR 3 -2.092 -1.969 -4.144
21 2HG2 THR 3 HG21 THR 3 -2.340 -0.211 -3.880
22 3HG2 THR 3 HG22 THR 3 -2.946 -0.969 -5.384
23 H ASN 4 HN ASN 4 0.187 0.469 -7.641
24 HA ASN 4 HA ASN 4 3.011 0.129 -7.809
25 1HB ASN 4 HB2 ASN 4 2.964 0.466 -10.399
26 2HB ASN 4 HB3 ASN 4 2.652 -1.176 -9.779
27 1HD2 ASN 4 HD22 ASN 4 -0.335 0.857 -11.821
28 2HD2 ASN 4 HD21 ASN 4 1.087 1.690 -11.283
29 H VAL 5 HN VAL 5 1.700 1.826 -6.245
30 HA VAL 5 HA VAL 5 1.604 4.435 -7.597
31 HB VAL 5 HB VAL 5 0.958 4.047 -4.653
32 1HG1 VAL 5 HG13 VAL 5 0.951 6.377 -5.763
33 2HG1 VAL 5 HG11 VAL 5 -0.266 5.757 -6.938
34 3HG1 VAL 5 HG12 VAL 5 -0.665 5.850 -5.182
35 1HG2 VAL 5 HG22 VAL 5 -0.759 3.117 -7.026
36 2HG2 VAL 5 HG23 VAL 5 -0.229 2.204 -5.545
37 3HG2 VAL 5 HG21 VAL 5 -1.416 3.550 -5.414
38 H SER 6 HN SER 6 2.536 6.103 -5.572
39 HA SER 6 HA SER 6 5.284 5.203 -4.993
40 1HB SER 6 HB2 SER 6 5.852 7.693 -4.871
41 2HB SER 6 HB3 SER 6 5.522 6.985 -6.478
42 HG SER 6 HG SER 6 3.374 7.779 -6.278
43 H CYS 7 HN CYS 7 5.923 5.084 -2.987
44 HA CYS 7 HA CYS 7 4.369 6.422 -0.806
45 1HB CYS 7 HB2 CYS 7 3.281 4.412 -0.865
46 2HB CYS 7 HB3 CYS 7 4.747 3.456 -1.014
47 H THR 8 HN THR 8 5.528 6.848 1.003
48 HA THR 8 HA THR 8 8.377 6.176 1.170
49 HB THR 8 HB THR 8 8.803 8.459 2.216
50 HG1 THR 8 HG1 THR 8 6.619 9.075 2.385
51 1HG2 THR 8 HG23 THR 8 9.628 7.748 -0.040
52 2HG2 THR 8 HG21 THR 8 8.117 8.372 -0.797
53 3HG2 THR 8 HG22 THR 8 9.243 9.507 0.031
54 H THR 9 HN THR 9 5.392 7.390 2.812
55 HA THR 9 HA THR 9 6.284 6.220 5.360
56 HB THR 9 HB THR 9 4.495 7.705 6.351
57 HG1 THR 9 HG1 THR 9 3.416 8.108 4.353
58 1HG2 THR 9 HG23 THR 9 6.954 8.210 6.372
59 2HG2 THR 9 HG21 THR 9 6.776 9.110 4.820
60 3HG2 THR 9 HG22 THR 9 5.926 9.693 6.297
61 H SER 10 HN SER 10 5.125 4.657 6.369
62 HA SER 10 HA SER 10 3.028 3.299 4.902
63 1HB SER 10 HB2 SER 10 3.408 1.471 6.618
64 2HB SER 10 HB3 SER 10 4.822 1.898 5.602
65 HG SER 10 HG SER 10 4.353 2.847 8.224
66 H LYS 11 HN LYS 11 1.549 5.090 5.220
67 HA LYS 11 HA LYS 11 -0.364 4.765 7.201
68 1HB LYS 11 HB2 LYS 11 -0.193 6.953 8.399
69 2HB LYS 11 HB3 LYS 11 1.178 5.862 8.727
70 1HG LYS 11 HG2 LYS 11 2.469 7.190 6.866
71 2HG LYS 11 HG3 LYS 11 1.161 8.407 7.024
72 1HD LYS 11 HD2 LYS 11 2.981 9.132 8.389
73 2HD LYS 11 HD3 LYS 11 1.712 8.548 9.523
74 1HE LYS 11 HE2 LYS 11 3.001 6.391 9.833
75 2HE LYS 11 HE3 LYS 11 4.220 6.946 8.619
76 1HZ LYS 11 HZ1 LYS 11 4.690 8.823 10.084
77 2HZ LYS 11 HZ2 LYS 11 3.609 8.207 11.240
78 3HZ LYS 11 HZ3 LYS 11 4.994 7.320 10.812
79 H GLU 12 HN GLU 12 1.278 6.845 4.752
80 HA GLU 12 HA GLU 12 -0.723 8.357 3.819
81 1HB GLU 12 HB2 GLU 12 1.835 8.261 3.574
82 2HB GLU 12 HB3 GLU 12 1.631 7.158 2.207
83 1HG GLU 12 HG2 GLU 12 0.377 9.981 2.434
84 2HG GLU 12 HG3 GLU 12 2.015 9.669 1.751
85 1HN ABA 13 HN ABA 13 0.197 5.069 2.758
86 HA ABA 13 HA ABA 13 -1.670 5.106 0.485
87 1HB ABA 13 HB3 ABA 13 0.695 4.896 -0.030
88 2HB ABA 13 HB2 ABA 13 -0.190 3.424 -0.468
89 1HG ABA 13 HG1 ABA 13 0.743 2.279 1.618
90 2HG ABA 13 HG2 ABA 13 2.007 2.971 0.527
91 3HG ABA 13 HG3 ABA 13 1.573 3.842 2.041
92 H TRP 14 HN TRP 14 -2.462 4.516 3.343
93 HA TRP 14 HA TRP 14 -3.218 1.723 3.296
94 1HB TRP 14 HB2 TRP 14 -3.477 3.977 5.359
95 2HB TRP 14 HB3 TRP 14 -4.250 2.371 5.604
96 HD1 TRP 14 HD1 TRP 14 -0.532 2.959 4.317
97 HE1 TRP 14 HE1 TRP 14 0.875 1.282 5.564
98 HE3 TRP 14 HE3 TRP 14 -4.013 1.442 7.749
99 HZ2 TRP 14 HZ2 TRP 14 0.621 -0.441 7.833
100 HZ3 TRP 14 HZ3 TRP 14 -3.375 -0.285 9.399
101 HH2 TRP 14 HH2 TRP 14 -1.099 -1.250 9.399
102 H SER 15 HN SER 15 -4.693 4.762 2.289
103 HA SER 15 HA SER 15 -7.362 3.655 2.171
104 1HB SER 15 HB2 SER 15 -7.961 5.951 1.290
105 2HB SER 15 HB3 SER 15 -7.263 5.930 2.939
106 HG SER 15 HG SER 15 -6.385 7.547 1.658
107 H VAL 16 HN VAL 16 -4.561 3.289 0.437
108 HA VAL 16 HA VAL 16 -5.712 3.295 -2.250
109 HB VAL 16 HB VAL 16 -2.879 2.740 -1.236
110 1HG1 VAL 16 HG12 VAL 16 -3.951 3.196 -4.108
111 2HG1 VAL 16 HG13 VAL 16 -2.220 3.095 -3.603
112 3HG1 VAL 16 HG11 VAL 16 -3.269 1.651 -3.469
113 1HG2 VAL 16 HG23 VAL 16 -4.163 5.263 -2.484
114 2HG2 VAL 16 HG21 VAL 16 -3.596 5.094 -0.779
115 3HG2 VAL 16 HG22 VAL 16 -2.411 5.035 -2.127
116 H CYS 17 HN CYS 17 -4.584 1.030 0.317
117 HA CYS 17 HA CYS 17 -5.227 -1.339 -1.218
118 1HB CYS 17 HB2 CYS 17 -4.251 -0.680 1.601
119 2HB CYS 17 HB3 CYS 17 -4.891 -2.314 1.292
120 H GLN 18 HN GLN 18 -7.126 0.964 0.618
121 HA GLN 18 HA GLN 18 -9.212 -0.861 1.326
122 1HB GLN 18 HB2 GLN 18 -8.315 1.049 2.729
123 2HB GLN 18 HB3 GLN 18 -9.024 2.203 1.560
124 1HG GLN 18 HG2 GLN 18 -11.305 1.244 2.037
125 2HG GLN 18 HG3 GLN 18 -10.543 0.021 3.124
126 1HE2 GLN 18 HE22 GLN 18 -11.435 3.752 4.552
127 2HE2 GLN 18 HE21 GLN 18 -11.969 3.154 3.015
128 H ARG 19 HN ARG 19 -8.431 1.581 -1.163
129 HA ARG 19 HA ARG 19 -11.071 1.603 -2.325
130 1HB ARG 19 HB2 ARG 19 -8.477 3.089 -2.762
131 2HB ARG 19 HB3 ARG 19 -9.686 3.134 -4.078
132 1HG ARG 19 HG2 ARG 19 -10.700 3.750 -1.296
133 2HG ARG 19 HG3 ARG 19 -9.637 4.951 -2.101
134 1HD ARG 19 HD2 ARG 19 -12.087 5.410 -2.506
135 2HD ARG 19 HD3 ARG 19 -11.116 5.180 -4.009
136 HE ARG 19 HE ARG 19 -11.984 2.885 -4.228
137 1HH1 ARG 19 HH12 ARG 19 -13.869 4.984 -2.019
138 2HH1 ARG 19 HH11 ARG 19 -15.325 4.064 -2.205
139 1HH2 ARG 19 HH22 ARG 19 -13.935 1.695 -4.454
140 2HH2 ARG 19 HH21 ARG 19 -15.365 2.175 -3.603
141 H LEU 20 HN LEU 20 -8.034 -0.188 -2.871
142 HA LEU 20 HA LEU 20 -8.838 -0.993 -5.527
143 1HB LEU 20 HB2 LEU 20 -6.496 -0.396 -5.165
144 2HB LEU 20 HB3 LEU 20 -6.355 -1.613 -3.866
145 HG LEU 20 HG LEU 20 -6.763 -3.432 -5.448
146 1HD1 LEU 20 HD12 LEU 20 -6.870 -1.287 -7.681
147 2HD1 LEU 20 HD13 LEU 20 -6.778 -3.064 -7.955
148 3HD1 LEU 20 HD11 LEU 20 -8.231 -2.355 -7.177
149 1HD2 LEU 20 HD23 LEU 20 -4.430 -2.693 -5.080
150 2HD2 LEU 20 HD21 LEU 20 -4.669 -3.398 -6.721
151 3HD2 LEU 20 HD22 LEU 20 -4.551 -1.611 -6.529
152 H HIS 21 HN HIS 21 -8.351 -2.450 -2.195
153 HA HIS 21 HA HIS 21 -9.744 -4.873 -3.103
154 1HB HIS 21 HB2 HIS 21 -7.533 -4.493 -0.997
155 2HB HIS 21 HB3 HIS 21 -8.405 -6.035 -1.335
156 HD1 HIS 21 HD1 HIS 21 -7.974 -7.026 -3.848
157 HD2 HIS 21 HD2 HIS 21 -5.373 -3.949 -2.664
158 HE1 HIS 21 HE1 HIS 21 -5.935 -7.063 -5.389
159 H ASN 22 HN ASN 22 -9.123 -4.742 0.141
160 HA ASN 22 HA ASN 22 -11.191 -3.192 1.190
161 1HB ASN 22 HB2 ASN 22 -12.830 -5.003 1.929
162 2HB ASN 22 HB3 ASN 22 -12.899 -4.593 0.205
163 1HD2 ASN 22 HD22 ASN 22 -11.962 -7.810 -1.020
164 2HD2 ASN 22 HD21 ASN 22 -12.125 -6.127 -1.401
165 H THR 23 HN THR 23 -8.765 -3.077 1.971
166 HA THR 23 HA THR 23 -8.712 -4.435 4.521
167 HB THR 23 HB THR 23 -7.501 -5.919 2.816
168 HG1 THR 23 HG1 THR 23 -5.915 -6.388 4.235
169 1HG2 THR 23 HG21 THR 23 -6.286 -4.066 1.565
170 2HG2 THR 23 HG22 THR 23 -5.267 -3.802 3.039
171 3HG2 THR 23 HG23 THR 23 -5.207 -5.369 2.177
172 H SER 24 HN SER 24 -6.325 -3.422 5.416
173 HA SER 24 HA SER 24 -6.304 -0.565 4.779
174 1HB SER 24 HB2 SER 24 -6.315 0.166 7.138
175 2HB SER 24 HB3 SER 24 -7.869 -0.575 6.634
176 HG SER 24 HG SER 24 -5.829 -1.696 8.235
177 H ARG 25 HN ARG 25 -4.710 -3.542 5.886
178 HA ARG 25 HA ARG 25 -2.234 -2.156 6.451
179 1HB ARG 25 HB2 ARG 25 -1.462 -4.624 6.938
180 2HB ARG 25 HB3 ARG 25 -2.437 -3.706 8.099
181 1HG ARG 25 HG2 ARG 25 -3.891 -5.504 6.108
182 2HG ARG 25 HG3 ARG 25 -3.023 -6.214 7.500
183 1HD ARG 25 HD2 ARG 25 -4.629 -5.685 8.975
184 2HD ARG 25 HD3 ARG 25 -4.550 -3.929 8.494
185 HE ARG 25 HE ARG 25 -5.994 -5.030 6.418
186 1HH1 ARG 25 HH22 ARG 25 -6.395 -5.133 9.972
187 2HH1 ARG 25 HH21 ARG 25 -8.127 -5.127 9.910
188 1HH2 ARG 25 HH12 ARG 25 -8.319 -5.034 6.362
189 2HH2 ARG 25 HH11 ARG 25 -9.233 -5.071 7.833
190 H GLY 26 HN GLY 26 -0.691 -2.000 5.124
191 1HA GLY 26 HA1 GLY 26 0.137 -3.285 2.895
192 2HA GLY 26 HA2 GLY 26 -1.289 -2.281 2.380
193 H LYS 27 HN LYS 27 2.026 -2.311 2.967
194 HA LYS 27 HA LYS 27 2.273 0.476 3.851
195 1HB LYS 27 HB2 LYS 27 4.274 -1.858 4.157
196 2HB LYS 27 HB3 LYS 27 4.385 -0.213 4.885
197 1HG LYS 27 HG2 LYS 27 2.278 -0.769 6.209
198 2HG LYS 27 HG3 LYS 27 2.361 -2.432 5.513
199 1HD LYS 27 HD2 LYS 27 4.689 -2.677 6.493
200 2HD LYS 27 HD3 LYS 27 4.503 -1.062 7.254
201 1HE LYS 27 HE2 LYS 27 4.035 -2.843 8.914
202 2HE LYS 27 HE3 LYS 27 2.509 -1.929 8.569
203 1HZ LYS 27 HZ3 LYS 27 3.300 -4.535 7.373
204 2HZ LYS 27 HZ1 LYS 27 2.177 -4.301 8.627
205 3HZ LYS 27 HZ2 LYS 27 1.859 -3.687 7.074
206 H CYS 28 HN CYS 28 5.273 -0.094 3.148
207 HA CYS 28 HA CYS 28 5.271 -0.482 0.321
208 1HB CYS 28 HB2 CYS 28 6.317 1.830 -0.204
209 2HB CYS 28 HB3 CYS 28 4.586 1.741 0.163
210 H MET 29 HN MET 29 7.529 -0.015 -0.580
211 HA MET 29 HA MET 29 9.540 -1.102 1.210
212 1HB MET 29 HB2 MET 29 8.833 -2.168 -1.032
213 2HB MET 29 HB3 MET 29 9.712 -0.840 -1.826
214 1HG MET 29 HG2 MET 29 11.768 -1.569 -0.415
215 2HG MET 29 HG3 MET 29 10.767 -2.920 0.205
216 1HE MET 29 HE2 MET 29 13.645 -2.960 -1.177
217 2HE MET 29 HE3 MET 29 12.822 -4.399 -0.480
218 3HE MET 29 HE1 MET 29 13.527 -4.477 -2.131
219 H ASN 30 HN ASN 30 11.113 0.401 -1.258
220 HA ASN 30 HA ASN 30 11.855 2.665 0.350
221 1HB ASN 30 HB2 ASN 30 13.616 3.057 -1.413
222 2HB ASN 30 HB3 ASN 30 13.685 1.512 -0.527
223 1HD2 ASN 30 HD22 ASN 30 13.166 -0.613 -3.329
224 2HD2 ASN 30 HD21 ASN 30 13.172 -0.493 -1.602
225 H LYS 31 HN LYS 31 10.110 2.197 -2.690
226 HA LYS 31 HA LYS 31 9.605 5.114 -2.871
227 1HB LYS 31 HB2 LYS 31 10.686 3.257 -5.043
228 2HB LYS 31 HB3 LYS 31 10.022 4.882 -5.389
229 1HG LYS 31 HG2 LYS 31 11.746 6.002 -4.080
230 2HG LYS 31 HG3 LYS 31 12.417 4.423 -3.558
231 1HD LYS 31 HD2 LYS 31 13.867 5.123 -5.218
232 2HD LYS 31 HD3 LYS 31 12.865 3.855 -5.999
233 1HE LYS 31 HE2 LYS 31 12.406 6.920 -6.314
234 2HE LYS 31 HE3 LYS 31 13.423 5.928 -7.433
235 1HZ LYS 31 HZ3 LYS 31 11.488 4.597 -7.938
236 2HZ LYS 31 HZ1 LYS 31 10.524 5.553 -6.917
237 3HZ LYS 31 HZ2 LYS 31 11.241 6.239 -8.297
238 H LYS 32 HN LYS 32 7.997 1.955 -2.987
239 HA LYS 32 HA LYS 32 5.823 3.212 -4.499
240 1HB LYS 32 HB2 LYS 32 5.500 1.491 -5.983
241 2HB LYS 32 HB3 LYS 32 7.211 1.987 -6.162
242 1HG LYS 32 HG2 LYS 32 7.903 -0.006 -4.740
243 2HG LYS 32 HG3 LYS 32 6.176 -0.529 -4.698
244 1HD LYS 32 HD2 LYS 32 6.203 -0.396 -7.253
245 2HD LYS 32 HD3 LYS 32 7.998 -0.353 -7.132
246 1HE LYS 32 HE2 LYS 32 6.105 -2.581 -6.064
247 2HE LYS 32 HE3 LYS 32 7.205 -2.710 -7.497
248 1HZ LYS 32 HZ2 LYS 32 9.072 -2.405 -5.995
249 2HZ LYS 32 HZ3 LYS 32 8.020 -2.331 -4.662
250 3HZ LYS 32 HZ1 LYS 32 8.131 -3.757 -5.577
251 1HN ABA 33 HN ABA 33 3.753 2.241 -4.136
252 HA ABA 33 HA ABA 33 3.357 1.302 -1.491
253 1HB ABA 33 HB3 ABA 33 1.458 1.792 -3.817
254 2HB ABA 33 HB2 ABA 33 1.936 2.941 -2.528
255 1HG ABA 33 HG1 ABA 33 0.976 1.448 -0.787
256 2HG ABA 33 HG2 ABA 33 -0.256 2.047 -1.974
257 3HG ABA 33 HG3 ABA 33 0.328 0.348 -2.042
258 H ARG 34 HN ARG 34 2.681 -0.743 -0.824
259 HA ARG 34 HA ARG 34 2.296 -2.914 -2.761
260 1HB ARG 34 HB2 ARG 34 4.143 -2.857 -0.309
261 2HB ARG 34 HB3 ARG 34 3.381 -4.398 -0.834
262 1HG ARG 34 HG2 ARG 34 4.274 -4.124 -3.105
263 2HG ARG 34 HG3 ARG 34 5.234 -2.695 -2.582
264 1HD ARG 34 HD2 ARG 34 6.633 -4.008 -1.127
265 2HD ARG 34 HD3 ARG 34 5.460 -5.374 -1.061
266 HE ARG 34 HE ARG 34 7.433 -4.778 -3.228
267 1HH1 ARG 34 HH22 ARG 34 4.566 -6.687 -2.265
268 2HH1 ARG 34 HH21 ARG 34 4.793 -7.893 -3.489
269 1HH2 ARG 34 HH12 ARG 34 7.716 -6.410 -4.863
270 2HH2 ARG 34 HH11 ARG 34 6.603 -7.733 -4.978
271 H CYS 35 HN CYS 35 1.389 -4.818 -1.111
272 HA CYS 35 HA CYS 35 -0.524 -3.704 0.712
273 1HB CYS 35 HB2 CYS 35 -1.456 -3.828 -1.813
274 2HB CYS 35 HB3 CYS 35 -1.728 -5.537 -1.414
275 H TYR 36 HN TYR 36 -1.074 -5.152 2.200
276 HA TYR 36 HA TYR 36 0.518 -7.641 2.346
277 1HB TYR 36 HB2 TYR 36 0.700 -5.087 4.047
278 2HB TYR 36 HB3 TYR 36 1.253 -6.659 4.733
279 HD1 TYR 36 HD2 TYR 36 2.750 -8.002 2.660
280 HD2 TYR 36 HD1 TYR 36 2.508 -3.812 3.545
281 HE1 TYR 36 HE2 TYR 36 4.998 -7.668 1.702
282 HE2 TYR 36 HE1 TYR 36 4.759 -3.464 2.592
283 HH TYR 36 HH TYR 36 6.543 -4.423 1.623
284 H SER 37 HN SER 37 -1.834 -8.244 1.916
285 HA SER 37 HA SER 37 -3.022 -8.866 4.526
286 1HB SER 37 HB2 SER 37 -4.393 -7.030 3.489
287 2HB SER 37 HB3 SER 37 -4.598 -8.031 2.008
288 HG SER 37 HG SER 37 -6.327 -8.194 3.466
No H/Q in entry = 288
Start of MODEL 30
1 HA PCA 1 HA PGL 1 3.184 -7.137 -7.385
2 1HB PCA 1 HB2 PGL 1 3.442 -6.204 -4.480
3 2HB PCA 1 HB3 PGL 1 4.349 -7.507 -5.331
4 1HG PCA 1 HG2 PGL 1 5.340 -4.907 -4.824
5 2HG PCA 1 HG3 PGL 1 5.894 -5.919 -6.233
6 HN PCA 1 HN PGL 1 2.544 -4.703 -7.842
7 H PHE 2 HN PHE 2 1.443 -4.620 -5.548
8 HA PHE 2 HA PHE 2 -1.064 -6.115 -5.703
9 1HB PHE 2 HB2 PHE 2 0.150 -4.648 -3.304
10 2HB PHE 2 HB3 PHE 2 -1.637 -4.648 -3.517
11 HD1 PHE 2 HD1 PHE 2 1.324 -6.881 -2.974
12 HD2 PHE 2 HD2 PHE 2 -2.959 -6.555 -3.171
13 HE1 PHE 2 HE1 PHE 2 1.103 -9.102 -1.913
14 HE2 PHE 2 HE2 PHE 2 -3.178 -8.776 -2.112
15 HZ PHE 2 HZ PHE 2 -1.147 -10.054 -1.472
16 H THR 3 HN THR 3 0.772 -3.237 -5.639
17 HA THR 3 HA THR 3 -1.156 -1.671 -7.196
18 HB THR 3 HB THR 3 -0.641 0.305 -5.558
19 HG1 THR 3 HG1 THR 3 -0.021 -0.231 -3.585
20 1HG2 THR 3 HG22 THR 3 -2.422 -1.993 -4.519
21 2HG2 THR 3 HG23 THR 3 -2.477 -0.278 -4.005
22 3HG2 THR 3 HG21 THR 3 -2.882 -0.711 -5.716
23 H ASN 4 HN ASN 4 0.065 0.504 -7.817
24 HA ASN 4 HA ASN 4 2.940 0.294 -7.877
25 1HB ASN 4 HB2 ASN 4 2.997 0.617 -10.399
26 2HB ASN 4 HB3 ASN 4 2.504 -1.013 -9.875
27 1HD2 ASN 4 HD22 ASN 4 0.035 1.184 -12.286
28 2HD2 ASN 4 HD21 ASN 4 1.604 1.733 -11.803
29 H VAL 5 HN VAL 5 1.626 1.934 -6.278
30 HA VAL 5 HA VAL 5 1.508 4.568 -7.578
31 HB VAL 5 HB VAL 5 0.956 4.180 -4.614
32 1HG1 VAL 5 HG12 VAL 5 -0.283 5.889 -6.894
33 2HG1 VAL 5 HG13 VAL 5 -0.743 5.947 -5.152
34 3HG1 VAL 5 HG11 VAL 5 0.889 6.493 -5.663
35 1HG2 VAL 5 HG22 VAL 5 -0.886 3.244 -6.890
36 2HG2 VAL 5 HG23 VAL 5 -0.259 2.311 -5.461
37 3HG2 VAL 5 HG21 VAL 5 -1.429 3.657 -5.226
38 H SER 6 HN SER 6 2.536 6.223 -5.621
39 HA SER 6 HA SER 6 5.269 5.252 -5.093
40 1HB SER 6 HB2 SER 6 5.907 7.715 -4.955
41 2HB SER 6 HB3 SER 6 5.541 7.036 -6.567
42 HG SER 6 HG SER 6 4.576 9.044 -6.229
43 H CYS 7 HN CYS 7 5.917 5.065 -3.104
44 HA CYS 7 HA CYS 7 4.424 6.419 -0.896
45 1HB CYS 7 HB2 CYS 7 3.273 4.430 -1.026
46 2HB CYS 7 HB3 CYS 7 4.721 3.426 -1.093
47 H THR 8 HN THR 8 5.590 6.793 0.904
48 HA THR 8 HA THR 8 8.400 5.978 1.089
49 HB THR 8 HB THR 8 8.965 8.260 2.084
50 HG1 THR 8 HG1 THR 8 6.634 8.945 0.606
51 1HG2 THR 8 HG23 THR 8 9.773 7.409 -0.133
52 2HG2 THR 8 HG21 THR 8 8.319 8.112 -0.934
53 3HG2 THR 8 HG22 THR 8 9.516 9.191 -0.129
54 H THR 9 HN THR 9 5.490 7.392 2.684
55 HA THR 9 HA THR 9 6.279 6.248 5.273
56 HB THR 9 HB THR 9 4.415 7.776 6.152
57 HG1 THR 9 HG1 THR 9 3.993 9.539 4.807
58 1HG2 THR 9 HG22 THR 9 6.882 8.992 4.745
59 2HG2 THR 9 HG23 THR 9 5.910 9.764 6.058
60 3HG2 THR 9 HG21 THR 9 6.839 8.252 6.390
61 H SER 10 HN SER 10 5.189 4.575 6.139
62 HA SER 10 HA SER 10 3.024 3.331 4.674
63 1HB SER 10 HB2 SER 10 3.390 1.420 6.312
64 2HB SER 10 HB3 SER 10 4.775 1.836 5.255
65 HG SER 10 HG SER 10 5.632 3.048 6.972
66 H LYS 11 HN LYS 11 1.544 5.046 5.051
67 HA LYS 11 HA LYS 11 -0.339 4.595 7.023
68 1HB LYS 11 HB2 LYS 11 1.268 5.861 8.543
69 2HB LYS 11 HB3 LYS 11 1.135 7.278 7.460
70 1HG LYS 11 HG2 LYS 11 -1.337 7.393 7.965
71 2HG LYS 11 HG3 LYS 11 -1.202 5.880 8.929
72 1HD LYS 11 HD2 LYS 11 0.343 7.054 10.520
73 2HD LYS 11 HD3 LYS 11 0.167 8.566 9.555
74 1HE LYS 11 HE2 LYS 11 -2.319 8.567 10.034
75 2HE LYS 11 HE3 LYS 11 -2.121 7.054 11.009
76 1HZ LYS 11 HZ3 LYS 11 -0.645 8.265 12.474
77 2HZ LYS 11 HZ1 LYS 11 -0.848 9.683 11.560
78 3HZ LYS 11 HZ2 LYS 11 -2.172 9.001 12.376
79 H GLU 12 HN GLU 12 1.263 6.847 4.706
80 HA GLU 12 HA GLU 12 -0.728 8.344 3.774
81 1HB GLU 12 HB2 GLU 12 1.859 8.205 3.478
82 2HB GLU 12 HB3 GLU 12 1.573 7.233 2.037
83 1HG GLU 12 HG2 GLU 12 0.386 10.054 2.557
84 2HG GLU 12 HG3 GLU 12 1.980 9.765 1.772
85 1HN ABA 13 HN ABA 13 0.137 5.079 2.617
86 HA ABA 13 HA ABA 13 -1.756 5.181 0.367
87 1HB ABA 13 HB3 ABA 13 0.560 4.922 -0.236
88 2HB ABA 13 HB2 ABA 13 -0.334 3.431 -0.594
89 1HG ABA 13 HG1 ABA 13 1.511 3.954 1.833
90 2HG ABA 13 HG2 ABA 13 0.675 2.374 1.504
91 3HG ABA 13 HG3 ABA 13 1.895 3.027 0.337
92 H TRP 14 HN TRP 14 -2.602 4.650 3.182
93 HA TRP 14 HA TRP 14 -3.366 1.866 3.243
94 1HB TRP 14 HB2 TRP 14 -3.759 4.200 5.182
95 2HB TRP 14 HB3 TRP 14 -4.513 2.586 5.449
96 HD1 TRP 14 HD1 TRP 14 -0.779 2.968 4.205
97 HE1 TRP 14 HE1 TRP 14 0.590 1.550 5.750
98 HE3 TRP 14 HE3 TRP 14 -4.363 2.005 7.735
99 HZ2 TRP 14 HZ2 TRP 14 0.272 0.186 8.237
100 HZ3 TRP 14 HZ3 TRP 14 -3.754 0.592 9.676
101 HH2 TRP 14 HH2 TRP 14 -1.483 -0.377 9.863
102 H SER 15 HN SER 15 -4.825 4.918 2.129
103 HA SER 15 HA SER 15 -7.481 3.808 1.935
104 1HB SER 15 HB2 SER 15 -8.058 6.107 1.058
105 2HB SER 15 HB3 SER 15 -7.393 6.078 2.721
106 HG SER 15 HG SER 15 -5.912 6.649 0.376
107 H VAL 16 HN VAL 16 -4.698 3.275 0.348
108 HA VAL 16 HA VAL 16 -5.805 3.130 -2.378
109 HB VAL 16 HB VAL 16 -2.987 2.472 -1.373
110 1HG1 VAL 16 HG12 VAL 16 -3.687 1.326 -3.554
111 2HG1 VAL 16 HG13 VAL 16 -4.101 2.943 -4.223
112 3HG1 VAL 16 HG11 VAL 16 -2.401 2.550 -3.761
113 1HG2 VAL 16 HG22 VAL 16 -4.115 5.027 -2.696
114 2HG2 VAL 16 HG23 VAL 16 -3.484 4.893 -1.011
115 3HG2 VAL 16 HG21 VAL 16 -2.370 4.666 -2.404
116 H CYS 17 HN CYS 17 -4.522 1.038 0.291
117 HA CYS 17 HA CYS 17 -5.204 -1.431 -0.717
118 1HB CYS 17 HB2 CYS 17 -4.885 -0.300 2.088
119 2HB CYS 17 HB3 CYS 17 -5.380 -2.007 1.886
120 H GLN 18 HN GLN 18 -7.466 0.981 0.623
121 HA GLN 18 HA GLN 18 -9.615 -0.943 0.938
122 1HB GLN 18 HB2 GLN 18 -9.672 2.088 1.326
123 2HB GLN 18 HB3 GLN 18 -10.973 0.898 1.748
124 1HG GLN 18 HG2 GLN 18 -9.470 -0.225 3.348
125 2HG GLN 18 HG3 GLN 18 -8.167 0.978 3.004
126 1HE2 GLN 18 HE22 GLN 18 -10.045 3.755 4.542
127 2HE2 GLN 18 HE21 GLN 18 -9.100 3.411 3.131
128 H ARG 19 HN ARG 19 -8.582 1.622 -1.290
129 HA ARG 19 HA ARG 19 -11.003 1.813 -2.783
130 1HB ARG 19 HB2 ARG 19 -8.273 3.047 -2.813
131 2HB ARG 19 HB3 ARG 19 -9.115 3.115 -4.378
132 1HG ARG 19 HG2 ARG 19 -10.849 3.926 -2.072
133 2HG ARG 19 HG3 ARG 19 -9.416 4.969 -2.368
134 1HD ARG 19 HD2 ARG 19 -11.469 5.763 -3.618
135 2HD ARG 19 HD3 ARG 19 -10.037 5.392 -4.673
136 HE ARG 19 HE ARG 19 -11.962 3.138 -4.285
137 1HH1 ARG 19 HH12 ARG 19 -11.084 5.928 -6.347
138 2HH1 ARG 19 HH11 ARG 19 -11.810 5.263 -7.774
139 1HH2 ARG 19 HH22 ARG 19 -12.920 2.270 -6.214
140 2HH2 ARG 19 HH21 ARG 19 -12.863 3.164 -7.697
141 H LEU 20 HN LEU 20 -8.082 -0.111 -3.096
142 HA LEU 20 HA LEU 20 -8.630 -1.045 -5.802
143 1HB LEU 20 HB2 LEU 20 -6.377 -1.189 -3.779
144 2HB LEU 20 HB3 LEU 20 -6.449 -2.496 -5.000
145 HG LEU 20 HG LEU 20 -4.936 -0.677 -5.502
146 1HD1 LEU 20 HD13 LEU 20 -5.785 -2.220 -7.255
147 2HD1 LEU 20 HD11 LEU 20 -7.145 -1.089 -7.618
148 3HD1 LEU 20 HD12 LEU 20 -5.445 -0.590 -7.945
149 1HD2 LEU 20 HD21 LEU 20 -6.209 1.353 -4.792
150 2HD2 LEU 20 HD22 LEU 20 -5.645 1.479 -6.494
151 3HD2 LEU 20 HD23 LEU 20 -7.370 1.104 -6.150
152 H HIS 21 HN HIS 21 -7.928 -2.545 -2.587
153 HA HIS 21 HA HIS 21 -9.623 -4.842 -3.273
154 1HB HIS 21 HB2 HIS 21 -7.385 -4.528 -1.196
155 2HB HIS 21 HB3 HIS 21 -8.316 -6.038 -1.552
156 HD1 HIS 21 HD1 HIS 21 -7.956 -6.914 -4.169
157 HD2 HIS 21 HD2 HIS 21 -5.256 -3.992 -2.839
158 HE1 HIS 21 HE1 HIS 21 -5.982 -6.860 -5.793
159 H ASN 22 HN ASN 22 -8.899 -4.495 -0.005
160 HA ASN 22 HA ASN 22 -10.811 -2.862 1.057
161 1HB ASN 22 HB2 ASN 22 -12.634 -4.559 1.849
162 2HB ASN 22 HB3 ASN 22 -12.720 -3.931 0.194
163 1HD2 ASN 22 HD22 ASN 22 -13.256 -7.186 -0.993
164 2HD2 ASN 22 HD21 ASN 22 -13.813 -5.552 -0.826
165 H THR 23 HN THR 23 -8.434 -3.012 1.966
166 HA THR 23 HA THR 23 -8.698 -4.382 4.491
167 HB THR 23 HB THR 23 -7.603 -6.083 2.997
168 HG1 THR 23 HG1 THR 23 -6.129 -5.157 5.199
169 1HG2 THR 23 HG21 THR 23 -6.129 -4.526 1.663
170 2HG2 THR 23 HG22 THR 23 -5.150 -4.206 3.148
171 3HG2 THR 23 HG23 THR 23 -5.211 -5.855 2.456
172 H SER 24 HN SER 24 -6.406 -3.724 5.742
173 HA SER 24 HA SER 24 -5.927 -0.888 5.291
174 1HB SER 24 HB2 SER 24 -7.107 -1.981 7.935
175 2HB SER 24 HB3 SER 24 -6.477 -0.307 7.670
176 HG SER 24 HG SER 24 -8.720 -0.492 7.516
177 H ARG 25 HN ARG 25 -4.660 -3.771 5.318
178 HA ARG 25 HA ARG 25 -2.322 -3.070 6.990
179 1HB ARG 25 HB2 ARG 25 -3.132 -5.782 5.809
180 2HB ARG 25 HB3 ARG 25 -1.535 -5.398 6.540
181 1HG ARG 25 HG2 ARG 25 -2.580 -6.479 8.263
182 2HG ARG 25 HG3 ARG 25 -2.772 -4.755 8.692
183 1HD ARG 25 HD2 ARG 25 -4.864 -6.077 9.175
184 2HD ARG 25 HD3 ARG 25 -5.178 -4.836 7.916
185 HE ARG 25 HE ARG 25 -5.423 -6.495 6.267
186 1HH1 ARG 25 HH12 ARG 25 -4.204 -8.052 9.255
187 2HH1 ARG 25 HH11 ARG 25 -4.470 -9.661 8.665
188 1HH2 ARG 25 HH22 ARG 25 -5.788 -8.640 5.528
189 2HH2 ARG 25 HH21 ARG 25 -5.379 -9.999 6.523
190 H GLY 26 HN GLY 26 -0.739 -2.184 5.915
191 1HA GLY 26 HA1 GLY 26 -0.089 -2.698 3.189
192 2HA GLY 26 HA2 GLY 26 -0.940 -1.114 3.498
193 H LYS 27 HN LYS 27 1.969 -2.179 2.923
194 HA LYS 27 HA LYS 27 3.284 -0.118 4.431
195 1HB LYS 27 HB2 LYS 27 3.793 -1.829 6.000
196 2HB LYS 27 HB3 LYS 27 3.944 -3.088 4.740
197 1HG LYS 27 HG2 LYS 27 6.070 -2.237 4.000
198 2HG LYS 27 HG3 LYS 27 5.932 -0.769 5.050
199 1HD LYS 27 HD2 LYS 27 6.055 -2.229 7.075
200 2HD LYS 27 HD3 LYS 27 6.190 -3.684 6.017
201 1HE LYS 27 HE2 LYS 27 8.335 -2.778 5.041
202 2HE LYS 27 HE3 LYS 27 8.198 -1.319 6.101
203 1HZ LYS 27 HZ3 LYS 27 8.452 -4.135 7.023
204 2HZ LYS 27 HZ1 LYS 27 9.678 -2.959 7.000
205 3HZ LYS 27 HZ2 LYS 27 8.330 -2.759 8.014
206 H CYS 28 HN CYS 28 5.288 0.397 3.275
207 HA CYS 28 HA CYS 28 5.362 -0.582 0.478
208 1HB CYS 28 HB2 CYS 28 5.904 1.760 -0.247
209 2HB CYS 28 HB3 CYS 28 4.266 1.559 0.431
210 H MET 29 HN MET 29 7.506 0.118 -0.521
211 HA MET 29 HA MET 29 9.619 -0.833 1.259
212 1HB MET 29 HB2 MET 29 8.751 -1.915 -0.976
213 2HB MET 29 HB3 MET 29 9.868 -0.785 -1.770
214 1HG MET 29 HG2 MET 29 10.498 -2.816 0.484
215 2HG MET 29 HG3 MET 29 10.707 -3.134 -1.259
216 1HE MET 29 HE3 MET 29 13.044 -4.074 -0.702
217 2HE MET 29 HE1 MET 29 14.343 -3.183 0.163
218 3HE MET 29 HE2 MET 29 12.840 -3.646 1.033
219 H ASN 30 HN ASN 30 11.138 0.536 -1.311
220 HA ASN 30 HA ASN 30 11.918 2.863 0.162
221 1HB ASN 30 HB2 ASN 30 13.647 3.173 -1.572
222 2HB ASN 30 HB3 ASN 30 13.672 1.566 -0.793
223 1HD2 ASN 30 HD22 ASN 30 14.335 1.198 -4.470
224 2HD2 ASN 30 HD21 ASN 30 15.011 2.151 -3.189
225 H LYS 31 HN LYS 31 10.027 2.235 -2.750
226 HA LYS 31 HA LYS 31 9.650 5.129 -3.217
227 1HB LYS 31 HB2 LYS 31 10.518 2.963 -5.195
228 2HB LYS 31 HB3 LYS 31 9.938 4.582 -5.705
229 1HG LYS 31 HG2 LYS 31 11.765 5.715 -4.588
230 2HG LYS 31 HG3 LYS 31 12.377 4.171 -3.902
231 1HD LYS 31 HD2 LYS 31 12.792 3.264 -6.161
232 2HD LYS 31 HD3 LYS 31 12.225 4.810 -6.902
233 1HE LYS 31 HE2 LYS 31 14.099 6.054 -5.809
234 2HE LYS 31 HE3 LYS 31 14.634 4.543 -4.960
235 1HZ LYS 31 HZ1 LYS 31 14.542 4.937 -7.904
236 2HZ LYS 31 HZ2 LYS 31 15.926 5.025 -6.919
237 3HZ LYS 31 HZ3 LYS 31 15.090 3.553 -7.076
238 H LYS 32 HN LYS 32 7.910 1.986 -3.005
239 HA LYS 32 HA LYS 32 5.748 3.178 -4.549
240 1HB LYS 32 HB2 LYS 32 5.475 1.461 -6.074
241 2HB LYS 32 HB3 LYS 32 7.132 2.103 -6.244
242 1HG LYS 32 HG2 LYS 32 7.936 0.153 -4.741
243 2HG LYS 32 HG3 LYS 32 6.302 -0.586 -5.005
244 1HD LYS 32 HD2 LYS 32 6.651 -0.639 -7.418
245 2HD LYS 32 HD3 LYS 32 8.143 0.351 -7.259
246 1HE LYS 32 HE2 LYS 32 8.713 -2.062 -7.663
247 2HE LYS 32 HE3 LYS 32 9.311 -1.499 -6.049
248 1HZ LYS 32 HZ2 LYS 32 7.377 -2.514 -5.047
249 2HZ LYS 32 HZ3 LYS 32 6.845 -3.071 -6.563
250 3HZ LYS 32 HZ1 LYS 32 8.306 -3.643 -5.911
251 1HN ABA 33 HN ABA 33 3.711 2.129 -4.239
252 HA ABA 33 HA ABA 33 3.305 1.357 -1.551
253 1HB ABA 33 HB3 ABA 33 1.435 1.682 -3.956
254 2HB ABA 33 HB2 ABA 33 1.891 2.919 -2.730
255 1HG ABA 33 HG1 ABA 33 0.885 1.529 -0.930
256 2HG ABA 33 HG2 ABA 33 -0.310 2.107 -2.163
257 3HG ABA 33 HG3 ABA 33 0.225 0.387 -2.141
258 H ARG 34 HN ARG 34 2.587 -0.642 -0.764
259 HA ARG 34 HA ARG 34 1.941 -2.798 -2.628
260 1HB ARG 34 HB2 ARG 34 4.404 -2.965 -1.595
261 2HB ARG 34 HB3 ARG 34 3.557 -3.463 -0.104
262 1HG ARG 34 HG2 ARG 34 2.381 -5.268 -1.571
263 2HG ARG 34 HG3 ARG 34 3.484 -4.750 -2.896
264 1HD ARG 34 HD2 ARG 34 5.467 -5.397 -1.442
265 2HD ARG 34 HD3 ARG 34 4.292 -5.898 -0.138
266 HE ARG 34 HE ARG 34 3.719 -7.134 -2.750
267 1HH1 ARG 34 HH12 ARG 34 5.786 -7.441 0.152
268 2HH1 ARG 34 HH11 ARG 34 6.075 -9.133 -0.075
269 1HH2 ARG 34 HH22 ARG 34 4.108 -9.405 -3.026
270 2HH2 ARG 34 HH21 ARG 34 5.109 -10.264 -1.902
271 H CYS 35 HN CYS 35 0.801 -4.580 -1.136
272 HA CYS 35 HA CYS 35 -0.624 -3.407 1.089
273 1HB CYS 35 HB2 CYS 35 -1.943 -3.131 -1.199
274 2HB CYS 35 HB3 CYS 35 -2.192 -4.893 -1.106
275 H TYR 36 HN TYR 36 -1.532 -5.219 2.365
276 HA TYR 36 HA TYR 36 0.134 -7.650 2.167
277 1HB TYR 36 HB2 TYR 36 0.301 -5.267 4.049
278 2HB TYR 36 HB3 TYR 36 0.631 -6.887 4.789
279 HD1 TYR 36 HD1 TYR 36 2.262 -8.412 3.206
280 HD2 TYR 36 HD2 TYR 36 2.172 -4.126 3.386
281 HE1 TYR 36 HE1 TYR 36 4.635 -8.320 2.511
282 HE2 TYR 36 HE2 TYR 36 4.487 -4.013 2.678
283 HH TYR 36 HH TYR 36 6.409 -7.006 2.055
284 H SER 37 HN SER 37 -2.156 -8.248 1.551
285 HA SER 37 HA SER 37 -4.046 -8.432 3.727
286 1HB SER 37 HB2 SER 37 -5.477 -9.632 2.075
287 2HB SER 37 HB3 SER 37 -4.935 -8.014 1.496
288 HG SER 37 HG SER 37 -3.721 -10.496 0.855
No H/Q in entry = 288
No H/Q in entry = 288