Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
2118 | 1bf9 RC | cing | recoord | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H SER 45 3H SER 45 15.829 -0.080 7.436
2 2H SER 45 2H SER 45 15.714 -1.173 8.727
3 3H SER 45 1H SER 45 17.218 -0.492 8.323
4 HA SER 45 HA SER 45 17.522 -1.841 6.508
5 1HB SER 45 2HB SER 45 16.460 -2.939 8.924
6 2HB SER 45 3HB SER 45 15.864 -3.916 7.586
7 HG SER 45 HG SER 45 18.561 -3.123 7.675
8 H ASP 46 H ASP 46 16.567 -1.346 4.536
9 HA ASP 46 HA ASP 46 15.004 -1.495 2.768
10 1HB ASP 46 2HB ASP 46 14.801 -3.812 4.427
11 2HB ASP 46 3HB ASP 46 13.168 -3.358 3.943
12 H GLY 47 H GLY 47 13.811 0.392 2.678
13 1HA GLY 47 2HA GLY 47 11.146 0.498 3.691
14 2HA GLY 47 3HA GLY 47 12.188 1.442 4.757
15 H ASP 48 H ASP 48 11.787 1.009 1.219
16 HA ASP 48 HA ASP 48 11.910 4.000 0.977
17 1HB ASP 48 2HB ASP 48 13.005 1.780 -0.779
18 2HB ASP 48 3HB ASP 48 12.996 3.481 -1.246
19 H GLN 49 H GLN 49 10.532 0.974 -0.275
20 HA GLN 49 HA GLN 49 8.983 1.742 -2.411
21 1HB GLN 49 2HB GLN 49 8.292 0.050 -0.017
22 2HB GLN 49 3HB GLN 49 7.320 0.072 -1.483
23 1HG GLN 49 2HG GLN 49 10.240 -0.718 -1.258
24 2HG GLN 49 3HG GLN 49 8.883 -1.798 -1.587
25 1HE2 GLN 49 1HE2 GLN 49 8.490 0.360 -4.760
26 2HE2 GLN 49 2HE2 GLN 49 7.632 0.439 -3.294
27 H CYS 50 H CYS 50 8.082 2.209 1.015
28 HA CYS 50 HA CYS 50 5.690 3.757 0.290
29 1HB CYS 50 2HB CYS 50 5.770 2.238 2.228
30 2HB CYS 50 3HB CYS 50 7.089 3.180 2.923
31 H ALA 51 H ALA 51 8.046 4.962 -0.773
32 HA ALA 51 HA ALA 51 8.714 7.210 1.049
33 1HB ALA 51 1HB ALA 51 9.771 5.970 -1.458
34 2HB ALA 51 2HB ALA 51 10.133 7.672 -1.176
35 3HB ALA 51 3HB ALA 51 10.638 6.457 -0.002
36 H SER 52 H SER 52 6.593 6.457 -1.556
37 HA SER 52 HA SER 52 5.899 9.360 -1.823
38 1HB SER 52 2HB SER 52 6.037 9.216 -4.140
39 2HB SER 52 3HB SER 52 7.300 8.074 -3.690
40 HG SER 52 HG SER 52 4.797 7.648 -4.798
41 H SER 53 H SER 53 4.701 7.058 -0.282
42 HA SER 53 HA SER 53 2.563 6.128 0.116
43 1HB SER 53 2HB SER 53 0.868 7.763 -0.078
44 2HB SER 53 3HB SER 53 2.343 8.720 0.021
45 HG SER 53 HG SER 53 1.227 9.485 -1.716
46 HA PRO 54 HA PRO 54 2.365 4.505 -4.241
47 1HB PRO 54 2HB PRO 54 3.048 1.925 -3.626
48 2HB PRO 54 3HB PRO 54 4.243 3.175 -4.028
49 1HG PRO 54 2HG PRO 54 3.475 2.070 -1.385
50 2HG PRO 54 3HG PRO 54 5.050 2.632 -1.962
51 1HD PRO 54 2HD PRO 54 3.379 4.071 -0.307
52 2HD PRO 54 3HD PRO 54 4.645 4.781 -1.334
53 H CYS 55 H CYS 55 0.785 4.189 -1.330
54 HA CYS 55 HA CYS 55 -1.109 2.086 -2.278
55 1HB CYS 55 2HB CYS 55 -1.095 3.498 0.396
56 2HB CYS 55 3HB CYS 55 -1.693 1.881 0.017
57 H GLN 56 H GLN 56 -3.498 2.646 -1.693
58 HA GLN 56 HA GLN 56 -4.046 5.537 -2.223
59 1HB GLN 56 2HB GLN 56 -5.252 3.058 -3.480
60 2HB GLN 56 3HB GLN 56 -5.887 4.687 -3.719
61 1HG GLN 56 2HG GLN 56 -3.848 5.418 -4.756
62 2HG GLN 56 3HG GLN 56 -3.019 3.927 -4.307
63 1HE2 GLN 56 1HE2 GLN 56 -6.018 3.126 -6.958
64 2HE2 GLN 56 2HE2 GLN 56 -6.361 3.852 -5.452
65 H ASN 57 H ASN 57 -6.434 6.028 -1.748
66 HA ASN 57 HA ASN 57 -8.175 6.118 -0.152
67 1HB ASN 57 2HB ASN 57 -7.546 3.158 -0.315
68 2HB ASN 57 3HB ASN 57 -8.966 3.806 0.504
69 1HD2 ASN 57 1HD2 ASN 57 -9.140 3.286 -3.450
70 2HD2 ASN 57 2HD2 ASN 57 -7.968 2.564 -2.443
71 H GLY 58 H GLY 58 -5.597 6.709 0.887
72 1HA GLY 58 2HA GLY 58 -4.407 6.808 2.909
73 2HA GLY 58 3HA GLY 58 -5.986 6.583 3.661
74 H GLY 59 H GLY 59 -4.521 4.194 1.525
75 1HA GLY 59 2HA GLY 59 -4.805 2.146 3.577
76 2HA GLY 59 3HA GLY 59 -4.115 1.906 1.966
77 H SER 60 H SER 60 -2.950 0.824 4.341
78 HA SER 60 HA SER 60 -0.719 2.524 5.177
79 1HB SER 60 2HB SER 60 -2.079 0.254 6.083
80 2HB SER 60 3HB SER 60 -0.479 -0.346 5.658
81 HG SER 60 HG SER 60 -1.209 1.058 7.789
82 H CYS 61 H CYS 61 1.583 1.656 4.895
83 HA CYS 61 HA CYS 61 1.925 0.311 2.236
84 1HB CYS 61 2HB CYS 61 3.757 1.953 1.834
85 2HB CYS 61 3HB CYS 61 2.200 2.750 2.051
86 H LYS 62 H LYS 62 2.805 -1.664 2.874
87 HA LYS 62 HA LYS 62 4.879 -1.647 5.028
88 1HB LYS 62 2HB LYS 62 3.136 -3.227 5.394
89 2HB LYS 62 3HB LYS 62 3.151 -3.744 3.709
90 1HG LYS 62 2HG LYS 62 5.415 -4.681 4.012
91 2HG LYS 62 3HG LYS 62 5.388 -4.182 5.704
92 1HD LYS 62 2HD LYS 62 3.209 -5.554 5.879
93 2HD LYS 62 3HD LYS 62 3.691 -6.272 4.343
94 1HE LYS 62 2HE LYS 62 5.747 -7.119 5.295
95 2HE LYS 62 3HE LYS 62 5.477 -6.219 6.800
96 1HZ LYS 62 3HZ LYS 62 3.340 -7.427 7.019
97 2HZ LYS 62 1HZ LYS 62 3.781 -8.392 5.692
98 3HZ LYS 62 2HZ LYS 62 4.697 -8.445 7.118
99 H ASP 63 H ASP 63 6.932 -2.686 4.638
100 HA ASP 63 HA ASP 63 7.706 -2.738 1.747
101 1HB ASP 63 2HB ASP 63 8.708 -1.139 3.526
102 2HB ASP 63 3HB ASP 63 9.541 -2.568 4.139
103 H GLN 64 H GLN 64 7.901 -4.789 0.957
104 HA GLN 64 HA GLN 64 8.612 -6.994 2.850
105 1HB GLN 64 2HB GLN 64 7.917 -7.937 0.228
106 2HB GLN 64 3HB GLN 64 7.025 -8.147 1.729
107 1HG GLN 64 2HG GLN 64 5.976 -5.905 1.370
108 2HG GLN 64 3HG GLN 64 6.803 -5.804 -0.185
109 1HE2 GLN 64 1HE2 GLN 64 3.790 -8.587 0.230
110 2HE2 GLN 64 2HE2 GLN 64 4.666 -8.100 1.611
111 H LEU 65 H LEU 65 9.657 -8.836 1.042
112 HA LEU 65 HA LEU 65 12.318 -7.652 0.531
113 1HB LEU 65 2HB LEU 65 11.192 -10.464 0.436
114 2HB LEU 65 3HB LEU 65 12.896 -10.072 0.196
115 HG LEU 65 HG LEU 65 12.015 -8.752 2.572
116 1HD1 LEU 65 1HD1 LEU 65 11.112 -11.603 2.243
117 2HD1 LEU 65 2HD1 LEU 65 11.602 -11.010 3.830
118 3HD1 LEU 65 3HD1 LEU 65 10.257 -10.248 2.980
119 1HD2 LEU 65 1HD2 LEU 65 14.317 -9.543 1.964
120 2HD2 LEU 65 2HD2 LEU 65 13.811 -10.058 3.574
121 3HD2 LEU 65 3HD2 LEU 65 13.775 -11.200 2.230
122 H GLN 66 H GLN 66 9.497 -8.481 -1.220
123 HA GLN 66 HA GLN 66 10.994 -8.608 -3.806
124 1HB GLN 66 2HB GLN 66 8.056 -9.120 -3.281
125 2HB GLN 66 3HB GLN 66 9.027 -9.692 -4.638
126 1HG GLN 66 2HG GLN 66 10.370 -10.621 -2.360
127 2HG GLN 66 3HG GLN 66 8.660 -10.889 -2.017
128 1HE2 GLN 66 1HE2 GLN 66 8.476 -12.775 -5.296
129 2HE2 GLN 66 2HE2 GLN 66 7.823 -11.292 -4.786
130 H SER 67 H SER 67 8.830 -6.662 -1.909
131 HA SER 67 HA SER 67 9.182 -4.305 -3.483
132 1HB SER 67 2HB SER 67 7.896 -5.551 -5.142
133 2HB SER 67 3HB SER 67 6.661 -5.934 -3.948
134 HG SER 67 HG SER 67 6.807 -3.820 -5.518
135 H TYR 68 H TYR 68 5.897 -4.460 -2.702
136 HA TYR 68 HA TYR 68 6.154 -4.063 0.187
137 1HB TYR 68 2HB TYR 68 5.361 -1.663 -0.010
138 2HB TYR 68 3HB TYR 68 7.008 -1.949 -0.583
139 HD1 TYR 68 HD1 TYR 68 7.515 -1.990 -2.994
140 HD2 TYR 68 HD2 TYR 68 3.561 -1.140 -1.549
141 HE1 TYR 68 HE1 TYR 68 6.885 -1.119 -5.230
142 HE2 TYR 68 HE2 TYR 68 2.932 -0.267 -3.784
143 HH TYR 68 HH TYR 68 4.628 -0.861 -6.532
144 H ILE 69 H ILE 69 4.091 -4.135 1.196
145 HA ILE 69 HA ILE 69 1.764 -4.516 -0.660
146 HB ILE 69 HB ILE 69 2.785 -6.561 0.440
147 1HG1 ILE 69 2HG1 ILE 69 0.046 -6.202 1.587
148 2HG1 ILE 69 3HG1 ILE 69 0.238 -6.077 -0.163
149 1HG2 ILE 69 3HG2 ILE 69 3.260 -5.242 2.592
150 2HG2 ILE 69 1HG2 ILE 69 1.552 -5.464 2.971
151 3HG2 ILE 69 2HG2 ILE 69 2.606 -6.868 2.791
152 1HD1 ILE 69 3HD1 ILE 69 1.768 -8.313 0.727
153 2HD1 ILE 69 1HD1 ILE 69 0.156 -8.445 1.432
154 3HD1 ILE 69 2HD1 ILE 69 0.346 -8.315 -0.317
155 H CYS 70 H CYS 70 0.383 -2.799 -0.337
156 HA CYS 70 HA CYS 70 0.432 -1.250 2.132
157 1HB CYS 70 2HB CYS 70 -1.395 -1.223 -0.278
158 2HB CYS 70 3HB CYS 70 -1.289 0.043 0.944
159 H PHE 71 H PHE 71 -1.147 -1.224 3.746
160 HA PHE 71 HA PHE 71 -3.089 -3.497 3.716
161 1HB PHE 71 2HB PHE 71 -1.706 -1.835 5.825
162 2HB PHE 71 3HB PHE 71 -3.127 -2.806 6.228
163 HD1 PHE 71 HD1 PHE 71 0.262 -3.015 4.662
164 HD2 PHE 71 HD2 PHE 71 -2.929 -5.124 6.615
165 HE1 PHE 71 HE1 PHE 71 1.683 -5.044 4.791
166 HE2 PHE 71 HE2 PHE 71 -1.509 -7.153 6.744
167 HZ PHE 71 HZ PHE 71 0.797 -7.113 5.833
168 H CYS 72 H CYS 72 -4.596 -2.271 2.336
169 HA CYS 72 HA CYS 72 -5.623 0.315 2.894
170 1HB CYS 72 2HB CYS 72 -7.107 -2.077 1.765
171 2HB CYS 72 3HB CYS 72 -7.426 -0.375 1.423
172 H LEU 73 H LEU 73 -8.140 0.491 3.496
173 HA LEU 73 HA LEU 73 -8.407 -0.739 6.198
174 1HB LEU 73 2HB LEU 73 -10.095 1.426 4.926
175 2HB LEU 73 3HB LEU 73 -9.823 1.131 6.643
176 HG LEU 73 HG LEU 73 -7.638 1.948 4.705
177 1HD1 LEU 73 1HD1 LEU 73 -9.199 3.627 6.697
178 2HD1 LEU 73 2HD1 LEU 73 -7.817 4.181 5.751
179 3HD1 LEU 73 3HD1 LEU 73 -9.321 3.743 4.941
180 1HD2 LEU 73 1HD2 LEU 73 -7.119 0.670 6.887
181 2HD2 LEU 73 2HD2 LEU 73 -6.275 2.198 6.638
182 3HD2 LEU 73 3HD2 LEU 73 -7.663 2.124 7.724
183 HA PRO 74 HA PRO 74 -11.884 -3.247 5.284
184 1HB PRO 74 2HB PRO 74 -13.774 -1.610 6.863
185 2HB PRO 74 3HB PRO 74 -13.253 -3.288 7.123
186 1HG PRO 74 2HG PRO 74 -12.458 -1.254 8.702
187 2HG PRO 74 3HG PRO 74 -11.455 -2.676 8.383
188 1HD PRO 74 2HD PRO 74 -11.214 0.081 7.308
189 2HD PRO 74 3HD PRO 74 -9.948 -1.116 7.661
190 H ALA 75 H ALA 75 -12.004 0.106 4.641
191 HA ALA 75 HA ALA 75 -14.558 0.137 3.214
192 1HB ALA 75 1HB ALA 75 -12.193 2.004 3.513
193 2HB ALA 75 2HB ALA 75 -13.607 2.418 2.541
194 3HB ALA 75 3HB ALA 75 -13.778 2.142 4.275
195 H PHE 76 H PHE 76 -11.138 -0.249 2.383
196 HA PHE 76 HA PHE 76 -11.943 -0.639 -0.474
197 1HB PHE 76 2HB PHE 76 -9.204 0.133 0.549
198 2HB PHE 76 3HB PHE 76 -9.858 0.343 -1.079
199 HD1 PHE 76 HD1 PHE 76 -10.027 1.550 2.422
200 HD2 PHE 76 HD2 PHE 76 -11.263 2.216 -1.637
201 HE1 PHE 76 HE1 PHE 76 -10.845 3.808 3.042
202 HE2 PHE 76 HE2 PHE 76 -12.082 4.474 -1.017
203 HZ PHE 76 HZ PHE 76 -11.872 5.269 1.323
204 H GLU 77 H GLU 77 -9.805 -1.906 -1.491
205 HA GLU 77 HA GLU 77 -8.762 -4.030 0.218
206 1HB GLU 77 2HB GLU 77 -11.138 -4.680 -0.079
207 2HB GLU 77 3HB GLU 77 -10.924 -4.633 -1.829
208 1HG GLU 77 2HG GLU 77 -8.876 -6.253 -0.534
209 2HG GLU 77 3HG GLU 77 -10.500 -6.845 -0.180
210 H GLY 78 H GLY 78 -7.018 -5.050 -0.815
211 1HA GLY 78 2HA GLY 78 -6.185 -5.826 -3.120
212 2HA GLY 78 3HA GLY 78 -6.485 -4.161 -3.620
213 H ARG 79 H ARG 79 -3.924 -5.321 -3.811
214 HA ARG 79 HA ARG 79 -2.207 -4.800 -1.579
215 1HB ARG 79 2HB ARG 79 -1.837 -6.125 -3.756
216 2HB ARG 79 3HB ARG 79 -1.493 -4.568 -4.510
217 1HG ARG 79 2HG ARG 79 0.606 -4.658 -3.713
218 2HG ARG 79 3HG ARG 79 -0.033 -4.670 -2.067
219 1HD ARG 79 2HD ARG 79 0.278 -6.927 -1.833
220 2HD ARG 79 3HD ARG 79 -0.202 -7.261 -3.508
221 HE ARG 79 HE ARG 79 2.407 -5.913 -3.004
222 1HH1 ARG 79 1HH1 ARG 79 0.819 -7.461 -5.390
223 2HH1 ARG 79 2HH1 ARG 79 1.990 -8.707 -5.670
224 1HH2 ARG 79 1HH2 ARG 79 3.810 -8.005 -2.802
225 2HH2 ARG 79 2HH2 ARG 79 3.684 -9.014 -4.204
226 H ASN 80 H ASN 80 -3.801 -2.671 -3.787
227 HA ASN 80 HA ASN 80 -2.211 -0.375 -2.697
228 1HB ASN 80 2HB ASN 80 -1.647 -1.164 -5.074
229 2HB ASN 80 3HB ASN 80 -3.256 -0.598 -5.530
230 1HD2 ASN 80 1HD2 ASN 80 -0.517 2.127 -5.745
231 2HD2 ASN 80 2HD2 ASN 80 -0.426 0.476 -6.164
232 H CYS 81 H CYS 81 -5.001 -1.650 -2.224
233 HA CYS 81 HA CYS 81 -7.156 -0.821 -1.718
234 1HB CYS 81 2HB CYS 81 -5.852 1.878 -2.163
235 2HB CYS 81 3HB CYS 81 -7.210 1.503 -1.103
236 H GLU 82 H GLU 82 -5.902 -0.901 -4.652
237 HA GLU 82 HA GLU 82 -7.301 1.005 -6.248
238 1HB GLU 82 2HB GLU 82 -5.538 -0.182 -7.252
239 2HB GLU 82 3HB GLU 82 -6.104 -1.734 -6.630
240 1HG GLU 82 2HG GLU 82 -8.100 -1.547 -8.134
241 2HG GLU 82 3HG GLU 82 -7.396 -0.083 -8.823
242 H THR 83 H THR 83 -8.450 -1.714 -4.474
243 HA THR 83 HA THR 83 -10.945 -1.871 -6.112
244 HB THR 83 HB THR 83 -10.440 -3.676 -3.804
245 HG1 THR 83 HG1 THR 83 -8.790 -3.495 -6.085
246 1HG2 THR 83 3HG2 THR 83 -12.041 -3.620 -6.106
247 2HG2 THR 83 1HG2 THR 83 -10.835 -4.871 -6.416
248 3HG2 THR 83 2HG2 THR 83 -11.856 -4.968 -4.981
249 H HIS 84 H HIS 84 -11.545 0.311 -5.132
250 HA HIS 84 HA HIS 84 -12.067 0.542 -2.293
251 1HB HIS 84 2HB HIS 84 -11.679 2.479 -3.697
252 2HB HIS 84 3HB HIS 84 -13.015 2.033 -4.758
253 HD1 HIS 84 HD1 HIS 84 -13.848 4.548 -4.012
254 HD2 HIS 84 HD2 HIS 84 -14.037 1.566 -1.105
255 HE1 HIS 84 HE1 HIS 84 -15.416 5.400 -2.214
256 H LYS 85 H LYS 85 -13.657 -0.616 -1.275
257 HA LYS 85 HA LYS 85 -15.718 -2.106 -2.504
258 1HB LYS 85 2HB LYS 85 -15.660 -0.765 0.222
259 2HB LYS 85 3HB LYS 85 -16.653 -2.157 -0.223
260 1HG LYS 85 2HG LYS 85 -14.490 -3.358 -0.820
261 2HG LYS 85 3HG LYS 85 -13.634 -2.024 -0.043
262 1HD LYS 85 2HD LYS 85 -14.843 -2.455 2.056
263 2HD LYS 85 3HD LYS 85 -15.730 -3.771 1.285
264 1HE LYS 85 2HE LYS 85 -13.167 -4.513 0.712
265 2HE LYS 85 3HE LYS 85 -12.941 -3.722 2.285
266 1HZ LYS 85 1HZ LYS 85 -15.040 -5.740 1.690
267 2HZ LYS 85 2HZ LYS 85 -13.590 -6.075 2.504
268 3HZ LYS 85 3HZ LYS 85 -14.729 -5.022 3.199
No H/Q in entry = 268
Start of MODEL 2
1 1H SER 45 2H SER 45 18.693 5.161 -6.388
2 2H SER 45 1H SER 45 18.043 3.788 -5.625
3 3H SER 45 3H SER 45 18.454 3.728 -7.269
4 HA SER 45 HA SER 45 16.677 5.141 -7.888
5 1HB SER 45 2HB SER 45 15.665 3.100 -7.705
6 2HB SER 45 3HB SER 45 16.325 2.819 -6.096
7 HG SER 45 HG SER 45 14.669 3.906 -5.215
8 H ASP 46 H ASP 46 14.426 5.930 -6.722
9 HA ASP 46 HA ASP 46 15.187 7.537 -4.309
10 1HB ASP 46 2HB ASP 46 13.801 9.368 -5.483
11 2HB ASP 46 3HB ASP 46 15.390 9.018 -6.166
12 H GLY 47 H GLY 47 13.901 6.174 -2.945
13 1HA GLY 47 2HA GLY 47 11.751 6.184 -1.791
14 2HA GLY 47 3HA GLY 47 10.967 6.518 -3.336
15 H ASP 48 H ASP 48 12.306 4.021 -1.292
16 HA ASP 48 HA ASP 48 12.290 1.825 -3.108
17 1HB ASP 48 2HB ASP 48 12.296 2.346 -0.205
18 2HB ASP 48 3HB ASP 48 11.609 0.783 -0.651
19 H GLN 49 H GLN 49 9.969 1.673 -0.483
20 HA GLN 49 HA GLN 49 7.752 1.406 -2.482
21 1HB GLN 49 2HB GLN 49 8.176 -0.227 0.019
22 2HB GLN 49 3HB GLN 49 6.986 -0.520 -1.246
23 1HG GLN 49 2HG GLN 49 8.634 -1.191 -2.802
24 2HG GLN 49 3HG GLN 49 9.939 -0.464 -1.865
25 1HE2 GLN 49 1HE2 GLN 49 9.964 -3.172 0.563
26 2HE2 GLN 49 2HE2 GLN 49 10.119 -1.475 0.482
27 H CYS 50 H CYS 50 8.264 1.565 1.062
28 HA CYS 50 HA CYS 50 5.739 2.987 1.466
29 1HB CYS 50 2HB CYS 50 7.945 1.787 3.037
30 2HB CYS 50 3HB CYS 50 7.135 3.149 3.812
31 H ALA 51 H ALA 51 8.556 4.036 0.167
32 HA ALA 51 HA ALA 51 8.798 6.570 1.681
33 1HB ALA 51 1HB ALA 51 10.250 5.147 -0.539
34 2HB ALA 51 2HB ALA 51 10.566 6.857 -0.243
35 3HB ALA 51 3HB ALA 51 10.867 5.671 1.027
36 H SER 52 H SER 52 6.987 5.361 -0.938
37 HA SER 52 HA SER 52 6.554 8.136 -1.998
38 1HB SER 52 2HB SER 52 7.637 6.615 -3.587
39 2HB SER 52 3HB SER 52 6.376 5.413 -3.329
40 HG SER 52 HG SER 52 5.618 7.998 -4.071
41 H SER 53 H SER 53 5.171 5.680 -0.184
42 HA SER 53 HA SER 53 2.951 5.270 0.515
43 1HB SER 53 2HB SER 53 3.163 7.731 0.870
44 2HB SER 53 3HB SER 53 2.581 7.997 -0.770
45 HG SER 53 HG SER 53 0.620 7.581 -0.124
46 HA PRO 54 HA PRO 54 1.978 4.312 -3.999
47 1HB PRO 54 2HB PRO 54 2.169 1.567 -3.677
48 2HB PRO 54 3HB PRO 54 3.487 2.600 -4.266
49 1HG PRO 54 2HG PRO 54 3.051 1.440 -1.572
50 2HG PRO 54 3HG PRO 54 4.561 1.743 -2.444
51 1HD PRO 54 2HD PRO 54 3.659 3.312 -0.409
52 2HD PRO 54 3HD PRO 54 4.694 3.909 -1.724
53 H CYS 55 H CYS 55 0.872 3.544 -0.848
54 HA CYS 55 HA CYS 55 -1.495 2.012 -1.603
55 1HB CYS 55 2HB CYS 55 -1.039 3.602 0.932
56 2HB CYS 55 3HB CYS 55 -1.957 2.108 0.738
57 H GLN 56 H GLN 56 -3.726 2.985 -0.893
58 HA GLN 56 HA GLN 56 -3.895 5.908 -1.423
59 1HB GLN 56 2HB GLN 56 -5.359 3.739 -2.961
60 2HB GLN 56 3HB GLN 56 -5.588 5.474 -3.176
61 1HG GLN 56 2HG GLN 56 -3.251 5.733 -3.843
62 2HG GLN 56 3HG GLN 56 -2.965 4.014 -3.571
63 1HE2 GLN 56 1HE2 GLN 56 -5.711 4.573 -6.547
64 2HE2 GLN 56 2HE2 GLN 56 -5.988 5.207 -4.988
65 H ASN 57 H ASN 57 -6.482 6.362 -1.450
66 HA ASN 57 HA ASN 57 -8.343 6.580 -0.002
67 1HB ASN 57 2HB ASN 57 -8.034 3.614 0.429
68 2HB ASN 57 3HB ASN 57 -9.508 4.541 0.151
69 1HD2 ASN 57 1HD2 ASN 57 -9.191 4.469 -3.407
70 2HD2 ASN 57 2HD2 ASN 57 -9.974 5.221 -2.090
71 H GLY 58 H GLY 58 -5.816 7.035 1.287
72 1HA GLY 58 2HA GLY 58 -4.894 7.183 3.440
73 2HA GLY 58 3HA GLY 58 -6.545 6.951 4.019
74 H GLY 59 H GLY 59 -4.162 4.845 2.339
75 1HA GLY 59 2HA GLY 59 -4.815 2.780 4.402
76 2HA GLY 59 3HA GLY 59 -4.314 2.397 2.749
77 H SER 60 H SER 60 -3.041 1.461 5.176
78 HA SER 60 HA SER 60 -0.555 2.996 5.512
79 1HB SER 60 2HB SER 60 -2.011 1.412 7.119
80 2HB SER 60 3HB SER 60 -0.923 0.187 6.470
81 HG SER 60 HG SER 60 0.667 1.044 7.557
82 H CYS 61 H CYS 61 1.534 2.211 4.853
83 HA CYS 61 HA CYS 61 1.421 0.267 2.581
84 1HB CYS 61 2HB CYS 61 3.304 1.483 1.710
85 2HB CYS 61 3HB CYS 61 2.157 2.693 2.283
86 H LYS 62 H LYS 62 2.458 -1.667 2.839
87 HA LYS 62 HA LYS 62 4.117 -2.058 5.289
88 1HB LYS 62 2HB LYS 62 2.085 -3.479 4.632
89 2HB LYS 62 3HB LYS 62 3.086 -4.123 3.330
90 1HG LYS 62 2HG LYS 62 4.123 -5.517 4.755
91 2HG LYS 62 3HG LYS 62 4.570 -4.168 5.801
92 1HD LYS 62 2HD LYS 62 2.369 -4.259 6.889
93 2HD LYS 62 3HD LYS 62 1.888 -5.581 5.826
94 1HE LYS 62 2HE LYS 62 3.828 -6.923 6.729
95 2HE LYS 62 3HE LYS 62 4.089 -5.630 7.916
96 1HZ LYS 62 3HZ LYS 62 1.773 -5.849 8.601
97 2HZ LYS 62 1HZ LYS 62 1.549 -7.119 7.498
98 3HZ LYS 62 2HZ LYS 62 2.607 -7.314 8.814
99 H ASP 63 H ASP 63 6.284 -2.678 5.127
100 HA ASP 63 HA ASP 63 7.471 -2.592 2.382
101 1HB ASP 63 2HB ASP 63 9.492 -1.893 3.561
102 2HB ASP 63 3HB ASP 63 8.136 -0.917 4.128
103 H GLN 64 H GLN 64 7.966 -4.591 1.577
104 HA GLN 64 HA GLN 64 9.125 -6.612 3.449
105 1HB GLN 64 2HB GLN 64 7.561 -7.925 1.427
106 2HB GLN 64 3HB GLN 64 7.344 -7.972 3.172
107 1HG GLN 64 2HG GLN 64 6.153 -5.689 2.887
108 2HG GLN 64 3HG GLN 64 6.077 -6.096 1.175
109 1HE2 GLN 64 1HE2 GLN 64 3.747 -8.154 3.841
110 2HE2 GLN 64 2HE2 GLN 64 4.997 -7.138 4.407
111 H LEU 65 H LEU 65 10.426 -8.247 2.308
112 HA LEU 65 HA LEU 65 12.294 -7.253 0.486
113 1HB LEU 65 2HB LEU 65 12.631 -9.266 1.771
114 2HB LEU 65 3HB LEU 65 11.259 -10.049 0.983
115 HG LEU 65 HG LEU 65 12.541 -9.659 -1.223
116 1HD1 LEU 65 1HD1 LEU 65 14.705 -9.171 0.839
117 2HD1 LEU 65 2HD1 LEU 65 15.049 -9.614 -0.833
118 3HD1 LEU 65 3HD1 LEU 65 14.214 -8.102 -0.476
119 1HD2 LEU 65 3HD2 LEU 65 12.750 -11.694 0.820
120 2HD2 LEU 65 1HD2 LEU 65 12.776 -11.883 -0.933
121 3HD2 LEU 65 2HD2 LEU 65 14.274 -11.567 -0.057
122 H GLN 66 H GLN 66 10.292 -9.889 -0.613
123 HA GLN 66 HA GLN 66 10.387 -9.646 -3.316
124 1HB GLN 66 2HB GLN 66 8.164 -10.664 -3.344
125 2HB GLN 66 3HB GLN 66 9.070 -11.285 -1.963
126 1HG GLN 66 2HG GLN 66 7.962 -9.629 -0.497
127 2HG GLN 66 3HG GLN 66 7.039 -9.035 -1.877
128 1HE2 GLN 66 1HE2 GLN 66 4.533 -11.385 -1.082
129 2HE2 GLN 66 2HE2 GLN 66 4.931 -9.759 -1.359
130 H SER 67 H SER 67 8.570 -7.470 -1.193
131 HA SER 67 HA SER 67 8.575 -5.260 -2.948
132 1HB SER 67 2HB SER 67 6.870 -7.395 -3.785
133 2HB SER 67 3HB SER 67 5.837 -6.063 -3.279
134 HG SER 67 HG SER 67 6.690 -4.804 -4.807
135 H TYR 68 H TYR 68 5.832 -4.378 -2.482
136 HA TYR 68 HA TYR 68 5.760 -4.303 0.516
137 1HB TYR 68 2HB TYR 68 5.221 -1.894 0.276
138 2HB TYR 68 3HB TYR 68 6.776 -2.276 -0.471
139 HD1 TYR 68 HD1 TYR 68 3.222 -1.480 -1.114
140 HD2 TYR 68 HD2 TYR 68 7.070 -2.212 -2.875
141 HE1 TYR 68 HE1 TYR 68 2.391 -0.621 -3.287
142 HE2 TYR 68 HE2 TYR 68 6.240 -1.353 -5.047
143 HH TYR 68 HH TYR 68 3.988 0.487 -5.556
144 H ILE 69 H ILE 69 3.604 -4.021 1.400
145 HA ILE 69 HA ILE 69 1.359 -4.312 -0.557
146 HB ILE 69 HB ILE 69 2.216 -6.089 1.711
147 1HG1 ILE 69 2HG1 ILE 69 1.295 -6.454 -1.148
148 2HG1 ILE 69 3HG1 ILE 69 2.897 -6.782 -0.484
149 1HG2 ILE 69 3HG2 ILE 69 -0.156 -5.400 2.142
150 2HG2 ILE 69 1HG2 ILE 69 -0.581 -5.992 0.536
151 3HG2 ILE 69 2HG2 ILE 69 0.003 -7.115 1.763
152 1HD1 ILE 69 3HD1 ILE 69 1.326 -8.320 1.140
153 2HD1 ILE 69 1HD1 ILE 69 0.449 -8.425 -0.387
154 3HD1 ILE 69 2HD1 ILE 69 2.140 -8.919 -0.306
155 H CYS 70 H CYS 70 -0.283 -2.912 -0.055
156 HA CYS 70 HA CYS 70 -0.196 -1.453 2.514
157 1HB CYS 70 2HB CYS 70 -2.023 -1.200 0.115
158 2HB CYS 70 3HB CYS 70 -1.784 -0.006 1.387
159 H PHE 71 H PHE 71 -2.270 -1.212 3.749
160 HA PHE 71 HA PHE 71 -3.923 -3.713 3.590
161 1HB PHE 71 2HB PHE 71 -2.782 -2.071 5.843
162 2HB PHE 71 3HB PHE 71 -4.205 -3.081 6.122
163 HD1 PHE 71 HD1 PHE 71 -0.922 -3.374 4.309
164 HD2 PHE 71 HD2 PHE 71 -3.774 -5.210 6.947
165 HE1 PHE 71 HE1 PHE 71 0.526 -5.383 4.477
166 HE2 PHE 71 HE2 PHE 71 -2.325 -7.215 7.117
167 HZ PHE 71 HZ PHE 71 -0.175 -7.302 5.882
168 H CYS 72 H CYS 72 -3.925 -0.239 3.666
169 HA CYS 72 HA CYS 72 -5.708 1.328 3.770
170 1HB CYS 72 2HB CYS 72 -5.869 -0.531 1.683
171 2HB CYS 72 3HB CYS 72 -7.522 -0.392 2.291
172 H LEU 73 H LEU 73 -8.494 0.858 3.671
173 HA LEU 73 HA LEU 73 -8.935 -0.329 6.383
174 1HB LEU 73 2HB LEU 73 -10.654 1.582 4.765
175 2HB LEU 73 3HB LEU 73 -10.791 1.233 6.487
176 HG LEU 73 HG LEU 73 -8.150 2.234 5.513
177 1HD1 LEU 73 3HD1 LEU 73 -9.856 3.680 4.375
178 2HD1 LEU 73 1HD1 LEU 73 -10.526 4.066 5.961
179 3HD1 LEU 73 2HD1 LEU 73 -8.880 4.553 5.555
180 1HD2 LEU 73 1HD2 LEU 73 -8.738 1.591 7.906
181 2HD2 LEU 73 2HD2 LEU 73 -8.086 3.217 7.707
182 3HD2 LEU 73 3HD2 LEU 73 -9.819 2.984 7.929
183 HA PRO 74 HA PRO 74 -11.756 -3.346 4.875
184 1HB PRO 74 2HB PRO 74 -14.179 -2.138 6.038
185 2HB PRO 74 3HB PRO 74 -13.375 -3.663 6.463
186 1HG PRO 74 2HG PRO 74 -13.342 -1.494 8.067
187 2HG PRO 74 3HG PRO 74 -12.023 -2.673 8.008
188 1HD PRO 74 2HD PRO 74 -12.171 0.054 6.828
189 2HD PRO 74 3HD PRO 74 -10.779 -0.808 7.522
190 H ALA 75 H ALA 75 -12.219 -0.090 4.067
191 HA ALA 75 HA ALA 75 -14.481 -0.506 2.221
192 1HB ALA 75 1HB ALA 75 -12.786 1.728 3.264
193 2HB ALA 75 2HB ALA 75 -13.655 1.987 1.750
194 3HB ALA 75 3HB ALA 75 -14.544 1.587 3.220
195 H PHE 76 H PHE 76 -11.190 -1.153 2.050
196 HA PHE 76 HA PHE 76 -11.281 -1.064 -0.918
197 1HB PHE 76 2HB PHE 76 -8.948 0.031 0.664
198 2HB PHE 76 3HB PHE 76 -9.276 0.228 -1.060
199 HD1 PHE 76 HD1 PHE 76 -10.395 1.187 2.350
200 HD2 PHE 76 HD2 PHE 76 -10.761 1.930 -1.865
201 HE1 PHE 76 HE1 PHE 76 -11.656 3.268 2.826
202 HE2 PHE 76 HE2 PHE 76 -12.021 4.012 -1.389
203 HZ PHE 76 HZ PHE 76 -12.469 4.681 0.956
204 H GLU 77 H GLU 77 -9.023 -2.066 -1.711
205 HA GLU 77 HA GLU 77 -7.632 -3.914 -0.008
206 1HB GLU 77 2HB GLU 77 -8.765 -5.990 -0.769
207 2HB GLU 77 3HB GLU 77 -9.877 -4.929 0.096
208 1HG GLU 77 2HG GLU 77 -11.160 -5.421 -1.770
209 2HG GLU 77 3HG GLU 77 -10.327 -3.974 -2.341
210 H GLY 78 H GLY 78 -6.041 -5.121 -1.222
211 1HA GLY 78 2HA GLY 78 -5.407 -5.924 -3.554
212 2HA GLY 78 3HA GLY 78 -5.856 -4.307 -4.096
213 H ARG 79 H ARG 79 -3.310 -5.154 -4.651
214 HA ARG 79 HA ARG 79 -1.199 -4.843 -2.901
215 1HB ARG 79 2HB ARG 79 -1.172 -5.233 -5.394
216 2HB ARG 79 3HB ARG 79 -1.432 -3.502 -5.613
217 1HG ARG 79 2HG ARG 79 0.645 -3.007 -4.420
218 2HG ARG 79 3HG ARG 79 0.896 -4.722 -4.100
219 1HD ARG 79 2HD ARG 79 0.492 -3.940 -6.954
220 2HD ARG 79 3HD ARG 79 2.045 -3.514 -6.206
221 HE ARG 79 HE ARG 79 1.287 -6.219 -5.529
222 1HH1 ARG 79 1HH1 ARG 79 3.995 -4.986 -6.445
223 2HH1 ARG 79 2HH1 ARG 79 4.273 -5.910 -7.884
224 1HH2 ARG 79 1HH2 ARG 79 1.018 -7.092 -8.071
225 2HH2 ARG 79 2HH2 ARG 79 2.587 -7.103 -8.805
226 H ASN 80 H ASN 80 -2.982 -2.162 -4.468
227 HA ASN 80 HA ASN 80 -1.771 -0.296 -2.453
228 1HB ASN 80 2HB ASN 80 -3.001 0.336 -5.152
229 2HB ASN 80 3HB ASN 80 -1.993 1.394 -4.163
230 1HD2 ASN 80 1HD2 ASN 80 0.867 -1.005 -4.826
231 2HD2 ASN 80 2HD2 ASN 80 -0.019 -0.626 -3.418
232 H CYS 81 H CYS 81 -4.512 -2.017 -2.964
233 HA CYS 81 HA CYS 81 -6.690 -1.807 -2.102
234 1HB CYS 81 2HB CYS 81 -6.245 -0.988 -0.043
235 2HB CYS 81 3HB CYS 81 -4.929 0.007 -0.647
236 H GLU 82 H GLU 82 -5.401 -0.001 -4.472
237 HA GLU 82 HA GLU 82 -7.089 2.234 -4.881
238 1HB GLU 82 2HB GLU 82 -5.199 1.954 -6.275
239 2HB GLU 82 3HB GLU 82 -5.620 0.281 -6.654
240 1HG GLU 82 2HG GLU 82 -7.630 1.107 -7.882
241 2HG GLU 82 3HG GLU 82 -7.097 2.762 -7.582
242 H THR 83 H THR 83 -7.827 -1.141 -4.947
243 HA THR 83 HA THR 83 -10.196 -0.854 -6.682
244 HB THR 83 HB THR 83 -8.952 -3.083 -5.047
245 HG1 THR 83 HG1 THR 83 -8.302 -3.794 -7.010
246 1HG2 THR 83 1HG2 THR 83 -11.649 -2.849 -6.026
247 2HG2 THR 83 2HG2 THR 83 -10.808 -4.118 -6.916
248 3HG2 THR 83 3HG2 THR 83 -10.903 -4.190 -5.157
249 H HIS 84 H HIS 84 -10.723 0.942 -4.818
250 HA HIS 84 HA HIS 84 -11.646 0.346 -2.276
251 1HB HIS 84 2HB HIS 84 -12.910 2.335 -2.494
252 2HB HIS 84 3HB HIS 84 -11.624 2.528 -3.682
253 HD1 HIS 84 HD1 HIS 84 -12.304 1.873 -6.223
254 HD2 HIS 84 HD2 HIS 84 -15.467 2.406 -3.561
255 HE1 HIS 84 HE1 HIS 84 -14.387 2.164 -7.636
256 H LYS 85 H LYS 85 -12.990 -1.245 -1.590
257 HA LYS 85 HA LYS 85 -14.546 -2.991 -3.085
258 1HB LYS 85 2HB LYS 85 -14.580 -1.900 -0.299
259 2HB LYS 85 3HB LYS 85 -15.930 -2.917 -0.802
260 1HG LYS 85 2HG LYS 85 -14.599 -4.795 -1.075
261 2HG LYS 85 3HG LYS 85 -13.149 -3.845 -1.404
262 1HD LYS 85 2HD LYS 85 -13.769 -3.071 1.163
263 2HD LYS 85 3HD LYS 85 -14.233 -4.773 1.168
264 1HE LYS 85 2HE LYS 85 -11.580 -3.934 0.002
265 2HE LYS 85 3HE LYS 85 -11.759 -4.196 1.749
266 1HZ LYS 85 1HZ LYS 85 -12.647 -6.131 -0.324
267 2HZ LYS 85 2HZ LYS 85 -11.162 -6.241 0.497
268 3HZ LYS 85 3HZ LYS 85 -12.623 -6.373 1.354
No H/Q in entry = 268
Start of MODEL 3
1 1H SER 45 3H SER 45 16.575 4.826 -3.872
2 2H SER 45 2H SER 45 16.516 4.465 -5.531
3 3H SER 45 1H SER 45 16.047 3.298 -4.394
4 HA SER 45 HA SER 45 18.267 2.815 -5.275
5 1HB SER 45 2HB SER 45 19.896 4.727 -4.258
6 2HB SER 45 3HB SER 45 19.210 4.821 -5.878
7 HG SER 45 HG SER 45 18.886 6.529 -3.949
8 H ASP 46 H ASP 46 16.628 3.561 -2.444
9 HA ASP 46 HA ASP 46 18.653 2.079 -0.799
10 1HB ASP 46 2HB ASP 46 16.795 4.258 0.185
11 2HB ASP 46 3HB ASP 46 18.212 3.597 1.002
12 H GLY 47 H GLY 47 16.351 0.977 -2.243
13 1HA GLY 47 2HA GLY 47 14.400 -0.292 -1.866
14 2HA GLY 47 3HA GLY 47 15.255 -0.788 -0.404
15 H ASP 48 H ASP 48 13.313 1.951 -1.643
16 HA ASP 48 HA ASP 48 12.350 2.422 1.150
17 1HB ASP 48 2HB ASP 48 12.780 4.042 -1.326
18 2HB ASP 48 3HB ASP 48 11.500 4.557 -0.225
19 H GLN 49 H GLN 49 11.405 1.087 -1.838
20 HA GLN 49 HA GLN 49 9.316 0.533 -2.789
21 1HB GLN 49 2HB GLN 49 9.068 0.021 0.163
22 2HB GLN 49 3HB GLN 49 7.937 -0.620 -1.028
23 1HG GLN 49 2HG GLN 49 9.355 -2.349 -1.332
24 2HG GLN 49 3HG GLN 49 10.501 -1.206 -2.029
25 1HE2 GLN 49 1HE2 GLN 49 10.936 -2.024 1.989
26 2HE2 GLN 49 2HE2 GLN 49 9.366 -1.949 1.327
27 H CYS 50 H CYS 50 7.917 1.597 0.285
28 HA CYS 50 HA CYS 50 5.924 3.209 -1.125
29 1HB CYS 50 2HB CYS 50 6.492 2.990 1.841
30 2HB CYS 50 3HB CYS 50 4.956 3.386 1.072
31 H ALA 51 H ALA 51 8.550 4.294 -1.570
32 HA ALA 51 HA ALA 51 9.247 6.398 0.244
33 1HB ALA 51 1HB ALA 51 9.870 5.465 -2.479
34 2HB ALA 51 2HB ALA 51 10.066 7.205 -2.267
35 3HB ALA 51 3HB ALA 51 10.954 6.085 -1.234
36 H SER 52 H SER 52 6.548 6.047 -1.809
37 HA SER 52 HA SER 52 5.985 8.986 -1.605
38 1HB SER 52 2HB SER 52 4.989 7.387 -3.924
39 2HB SER 52 3HB SER 52 5.486 9.076 -3.863
40 HG SER 52 HG SER 52 7.299 8.357 -4.638
41 H SER 53 H SER 53 5.068 6.019 -0.560
42 HA SER 53 HA SER 53 3.077 5.278 0.489
43 1HB SER 53 2HB SER 53 3.122 7.910 0.852
44 2HB SER 53 3HB SER 53 1.766 7.866 -0.270
45 HG SER 53 HG SER 53 0.630 7.284 1.390
46 HA PRO 54 HA PRO 54 1.407 4.376 -3.695
47 1HB PRO 54 2HB PRO 54 1.351 1.660 -3.332
48 2HB PRO 54 3HB PRO 54 2.787 2.533 -3.908
49 1HG PRO 54 2HG PRO 54 2.170 1.475 -1.207
50 2HG PRO 54 3HG PRO 54 3.717 1.558 -2.061
51 1HD PRO 54 2HD PRO 54 2.963 3.292 -0.074
52 2HD PRO 54 3HD PRO 54 4.142 3.681 -1.344
53 H CYS 55 H CYS 55 0.545 2.475 -0.770
54 HA CYS 55 HA CYS 55 -2.071 1.759 -1.281
55 1HB CYS 55 2HB CYS 55 -0.403 1.818 0.870
56 2HB CYS 55 3HB CYS 55 -1.577 3.047 1.350
57 H GLN 56 H GLN 56 -4.135 2.812 -1.030
58 HA GLN 56 HA GLN 56 -4.072 5.792 -0.847
59 1HB GLN 56 2HB GLN 56 -5.541 4.031 -2.836
60 2HB GLN 56 3HB GLN 56 -5.730 5.781 -2.717
61 1HG GLN 56 2HG GLN 56 -3.611 6.210 -3.548
62 2HG GLN 56 3HG GLN 56 -2.972 4.659 -3.003
63 1HE2 GLN 56 1HE2 GLN 56 -5.484 4.016 -6.136
64 2HE2 GLN 56 2HE2 GLN 56 -6.057 4.666 -4.666
65 H ASN 57 H ASN 57 -6.577 6.495 -0.790
66 HA ASN 57 HA ASN 57 -8.555 6.498 0.503
67 1HB ASN 57 2HB ASN 57 -8.263 3.496 0.584
68 2HB ASN 57 3HB ASN 57 -9.732 4.454 0.409
69 1HD2 ASN 57 1HD2 ASN 57 -9.348 4.876 -3.123
70 2HD2 ASN 57 2HD2 ASN 57 -10.123 5.483 -1.730
71 H GLY 58 H GLY 58 -6.026 6.707 1.899
72 1HA GLY 58 2HA GLY 58 -5.358 6.797 4.154
73 2HA GLY 58 3HA GLY 58 -6.931 6.129 4.588
74 H GLY 59 H GLY 59 -5.041 4.394 2.246
75 1HA GLY 59 2HA GLY 59 -4.841 2.134 4.122
76 2HA GLY 59 3HA GLY 59 -4.405 2.103 2.407
77 H SER 60 H SER 60 -2.884 1.292 4.921
78 HA SER 60 HA SER 60 -0.616 3.181 4.978
79 1HB SER 60 2HB SER 60 -1.485 0.675 6.387
80 2HB SER 60 3HB SER 60 0.200 1.177 6.500
81 HG SER 60 HG SER 60 -1.761 3.121 6.882
82 H CYS 61 H CYS 61 1.623 1.699 5.009
83 HA CYS 61 HA CYS 61 1.551 0.011 2.536
84 1HB CYS 61 2HB CYS 61 2.370 2.526 2.452
85 2HB CYS 61 3HB CYS 61 3.852 1.837 3.120
86 H LYS 62 H LYS 62 2.990 -1.746 2.548
87 HA LYS 62 HA LYS 62 4.357 -2.252 5.170
88 1HB LYS 62 2HB LYS 62 2.534 -3.776 4.349
89 2HB LYS 62 3HB LYS 62 3.551 -4.168 2.965
90 1HG LYS 62 2HG LYS 62 5.357 -4.725 4.772
91 2HG LYS 62 3HG LYS 62 3.974 -4.843 5.861
92 1HD LYS 62 2HD LYS 62 2.995 -6.302 3.850
93 2HD LYS 62 3HD LYS 62 4.710 -6.565 3.536
94 1HE LYS 62 2HE LYS 62 4.607 -8.189 5.127
95 2HE LYS 62 3HE LYS 62 4.468 -6.875 6.311
96 1HZ LYS 62 3HZ LYS 62 2.024 -6.838 5.644
97 2HZ LYS 62 1HZ LYS 62 2.301 -8.368 4.959
98 3HZ LYS 62 2HZ LYS 62 2.536 -8.125 6.624
99 H ASP 63 H ASP 63 6.556 -2.686 5.181
100 HA ASP 63 HA ASP 63 7.977 -2.487 2.548
101 1HB ASP 63 2HB ASP 63 8.907 -1.831 5.363
102 2HB ASP 63 3HB ASP 63 9.792 -1.503 3.873
103 H GLN 64 H GLN 64 8.466 -4.582 1.957
104 HA GLN 64 HA GLN 64 9.478 -6.444 4.071
105 1HB GLN 64 2HB GLN 64 9.051 -7.731 1.537
106 2HB GLN 64 3HB GLN 64 8.170 -7.970 3.040
107 1HG GLN 64 2HG GLN 64 6.721 -6.021 2.469
108 2HG GLN 64 3HG GLN 64 7.574 -5.869 0.931
109 1HE2 GLN 64 1HE2 GLN 64 5.430 -8.212 -0.574
110 2HE2 GLN 64 2HE2 GLN 64 6.353 -6.785 -0.716
111 H LEU 65 H LEU 65 11.094 -8.131 2.877
112 HA LEU 65 HA LEU 65 13.374 -6.484 2.014
113 1HB LEU 65 2HB LEU 65 12.904 -9.380 2.724
114 2HB LEU 65 3HB LEU 65 14.466 -8.813 2.134
115 HG LEU 65 HG LEU 65 13.303 -7.164 4.288
116 1HD1 LEU 65 1HD1 LEU 65 13.784 -10.096 4.601
117 2HD1 LEU 65 2HD1 LEU 65 14.328 -9.033 5.900
118 3HD1 LEU 65 3HD1 LEU 65 12.628 -9.054 5.430
119 1HD2 LEU 65 3HD2 LEU 65 15.978 -8.401 3.609
120 2HD2 LEU 65 1HD2 LEU 65 15.533 -6.695 3.591
121 3HD2 LEU 65 2HD2 LEU 65 15.706 -7.546 5.127
122 H GLN 66 H GLN 66 10.935 -8.376 0.533
123 HA GLN 66 HA GLN 66 12.541 -8.724 -1.962
124 1HB GLN 66 2HB GLN 66 10.747 -10.299 -2.550
125 2HB GLN 66 3HB GLN 66 11.347 -10.657 -0.930
126 1HG GLN 66 2HG GLN 66 9.421 -9.928 0.099
127 2HG GLN 66 3HG GLN 66 9.087 -8.725 -1.146
128 1HE2 GLN 66 1HE2 GLN 66 7.028 -12.068 -1.340
129 2HE2 GLN 66 2HE2 GLN 66 7.681 -11.372 0.064
130 H SER 67 H SER 67 9.961 -6.881 -0.564
131 HA SER 67 HA SER 67 9.831 -5.002 -2.722
132 1HB SER 67 2HB SER 67 8.748 -7.317 -3.500
133 2HB SER 67 3HB SER 67 7.350 -6.682 -2.638
134 HG SER 67 HG SER 67 7.766 -4.705 -3.921
135 H TYR 68 H TYR 68 6.730 -4.971 -2.208
136 HA TYR 68 HA TYR 68 6.547 -4.306 0.644
137 1HB TYR 68 2HB TYR 68 6.190 -1.915 0.272
138 2HB TYR 68 3HB TYR 68 7.733 -2.384 -0.440
139 HD1 TYR 68 HD1 TYR 68 4.126 -1.860 -1.268
140 HD2 TYR 68 HD2 TYR 68 8.160 -2.030 -2.733
141 HE1 TYR 68 HE1 TYR 68 3.356 -1.042 -3.479
142 HE2 TYR 68 HE2 TYR 68 7.391 -1.214 -4.946
143 HH TYR 68 HH TYR 68 5.594 -0.082 -5.961
144 H ILE 69 H ILE 69 4.336 -4.115 1.282
145 HA ILE 69 HA ILE 69 2.311 -4.423 -0.907
146 HB ILE 69 HB ILE 69 2.934 -6.134 1.479
147 1HG1 ILE 69 2HG1 ILE 69 2.262 -6.548 -1.441
148 2HG1 ILE 69 3HG1 ILE 69 3.782 -6.909 -0.620
149 1HG2 ILE 69 3HG2 ILE 69 0.540 -5.412 1.700
150 2HG2 ILE 69 1HG2 ILE 69 0.238 -6.059 0.087
151 3HG2 ILE 69 2HG2 ILE 69 0.719 -7.140 1.396
152 1HD1 ILE 69 3HD1 ILE 69 2.589 -8.610 0.761
153 2HD1 ILE 69 1HD1 ILE 69 1.126 -8.298 -0.171
154 3HD1 ILE 69 2HD1 ILE 69 2.544 -8.984 -0.963
155 H CYS 70 H CYS 70 0.750 -2.897 -0.689
156 HA CYS 70 HA CYS 70 0.537 -1.258 1.694
157 1HB CYS 70 2HB CYS 70 0.003 0.065 -0.056
158 2HB CYS 70 3HB CYS 70 -0.205 -1.328 -1.069
159 H PHE 71 H PHE 71 -1.620 -0.869 2.668
160 HA PHE 71 HA PHE 71 -3.450 -3.220 2.723
161 1HB PHE 71 2HB PHE 71 -2.039 -1.899 5.066
162 2HB PHE 71 3HB PHE 71 -3.357 -3.062 5.240
163 HD1 PHE 71 HD1 PHE 71 -2.823 -5.020 3.155
164 HD2 PHE 71 HD2 PHE 71 -0.077 -2.981 5.747
165 HE1 PHE 71 HE1 PHE 71 -1.212 -6.891 2.916
166 HE2 PHE 71 HE2 PHE 71 1.536 -4.852 5.513
167 HZ PHE 71 HZ PHE 71 0.968 -6.807 4.095
168 H CYS 72 H CYS 72 -5.556 -2.471 2.662
169 HA CYS 72 HA CYS 72 -5.990 0.443 3.170
170 1HB CYS 72 2HB CYS 72 -7.910 -1.468 1.850
171 2HB CYS 72 3HB CYS 72 -7.749 0.269 1.602
172 H LEU 73 H LEU 73 -8.780 0.309 3.500
173 HA LEU 73 HA LEU 73 -8.983 -0.948 6.212
174 1HB LEU 73 2HB LEU 73 -10.743 1.225 5.058
175 2HB LEU 73 3HB LEU 73 -10.401 0.880 6.752
176 HG LEU 73 HG LEU 73 -8.317 1.853 4.778
177 1HD1 LEU 73 1HD1 LEU 73 -9.962 3.359 6.834
178 2HD1 LEU 73 2HD1 LEU 73 -8.533 4.017 6.037
179 3HD1 LEU 73 3HD1 LEU 73 -9.965 3.612 5.088
180 1HD2 LEU 73 1HD2 LEU 73 -7.669 0.507 6.880
181 2HD2 LEU 73 2HD2 LEU 73 -6.897 2.080 6.674
182 3HD2 LEU 73 3HD2 LEU 73 -8.241 1.898 7.802
183 HA PRO 74 HA PRO 74 -12.479 -3.380 5.130
184 1HB PRO 74 2HB PRO 74 -14.493 -1.733 6.524
185 2HB PRO 74 3HB PRO 74 -13.965 -3.392 6.871
186 1HG PRO 74 2HG PRO 74 -13.329 -1.299 8.445
187 2HG PRO 74 3HG PRO 74 -12.284 -2.714 8.249
188 1HD PRO 74 2HD PRO 74 -12.007 0.010 7.094
189 2HD PRO 74 3HD PRO 74 -10.751 -1.139 7.609
190 H ALA 75 H ALA 75 -12.483 -0.069 4.334
191 HA ALA 75 HA ALA 75 -14.942 -0.155 2.702
192 1HB ALA 75 1HB ALA 75 -12.805 1.873 3.366
193 2HB ALA 75 2HB ALA 75 -14.044 2.207 2.155
194 3HB ALA 75 3HB ALA 75 -14.508 1.891 3.828
195 H PHE 76 H PHE 76 -11.457 -0.443 2.269
196 HA PHE 76 HA PHE 76 -11.919 -0.723 -0.676
197 1HB PHE 76 2HB PHE 76 -9.341 0.176 0.622
198 2HB PHE 76 3HB PHE 76 -9.870 0.420 -1.046
199 HD1 PHE 76 HD1 PHE 76 -10.504 1.408 2.485
200 HD2 PHE 76 HD2 PHE 76 -11.239 2.277 -1.657
201 HE1 PHE 76 HE1 PHE 76 -11.518 3.580 3.121
202 HE2 PHE 76 HE2 PHE 76 -12.255 4.447 -1.022
203 HZ PHE 76 HZ PHE 76 -12.394 5.100 1.369
204 H GLU 77 H GLU 77 -9.916 -2.002 -1.647
205 HA GLU 77 HA GLU 77 -8.622 -3.950 0.084
206 1HB GLU 77 2HB GLU 77 -11.271 -4.422 -0.393
207 2HB GLU 77 3HB GLU 77 -10.533 -5.296 -1.735
208 1HG GLU 77 2HG GLU 77 -8.961 -5.891 0.535
209 2HG GLU 77 3HG GLU 77 -10.641 -6.030 1.055
210 H GLY 78 H GLY 78 -6.704 -4.059 -1.022
211 1HA GLY 78 2HA GLY 78 -6.292 -5.332 -3.447
212 2HA GLY 78 3HA GLY 78 -6.550 -3.646 -3.896
213 H ARG 79 H ARG 79 -4.093 -4.778 -4.420
214 HA ARG 79 HA ARG 79 -2.109 -4.552 -2.387
215 1HB ARG 79 2HB ARG 79 -1.977 -4.094 -5.386
216 2HB ARG 79 3HB ARG 79 -0.588 -4.416 -4.346
217 1HG ARG 79 2HG ARG 79 -1.234 -6.626 -3.941
218 2HG ARG 79 3HG ARG 79 -2.923 -6.309 -4.341
219 1HD ARG 79 2HD ARG 79 -2.031 -5.809 -6.742
220 2HD ARG 79 3HD ARG 79 -0.589 -6.699 -6.213
221 HE ARG 79 HE ARG 79 -3.231 -7.960 -5.718
222 1HH1 ARG 79 1HH2 ARG 79 -1.243 -9.867 -5.367
223 2HH1 ARG 79 2HH2 ARG 79 -0.934 -10.547 -6.929
224 1HH2 ARG 79 1HH1 ARG 79 -2.419 -7.931 -8.653
225 2HH2 ARG 79 2HH1 ARG 79 -1.600 -9.450 -8.790
226 H ASN 80 H ASN 80 -4.006 -2.101 -3.801
227 HA ASN 80 HA ASN 80 -2.299 -0.004 -2.563
228 1HB ASN 80 2HB ASN 80 -2.860 -0.436 -5.491
229 2HB ASN 80 3HB ASN 80 -2.707 1.216 -4.892
230 1HD2 ASN 80 1HD2 ASN 80 0.602 -1.219 -4.899
231 2HD2 ASN 80 2HD2 ASN 80 -0.950 -1.913 -5.030
232 H CYS 81 H CYS 81 -5.153 -1.322 -2.501
233 HA CYS 81 HA CYS 81 -7.328 -0.549 -1.978
234 1HB CYS 81 2HB CYS 81 -6.047 2.196 -2.019
235 2HB CYS 81 3HB CYS 81 -7.458 1.679 -1.094
236 H GLU 82 H GLU 82 -5.928 -0.329 -4.805
237 HA GLU 82 HA GLU 82 -7.239 1.756 -6.260
238 1HB GLU 82 2HB GLU 82 -5.424 0.765 -7.331
239 2HB GLU 82 3HB GLU 82 -5.884 -0.862 -6.823
240 1HG GLU 82 2HG GLU 82 -7.830 -0.748 -8.395
241 2HG GLU 82 3HG GLU 82 -7.239 0.815 -8.959
242 H THR 83 H THR 83 -8.533 -1.024 -4.774
243 HA THR 83 HA THR 83 -10.930 -0.952 -6.580
244 HB THR 83 HB THR 83 -9.583 -3.131 -4.971
245 HG1 THR 83 HG1 THR 83 -10.475 -3.355 -7.603
246 1HG2 THR 83 1HG2 THR 83 -12.407 -2.798 -5.541
247 2HG2 THR 83 2HG2 THR 83 -11.769 -4.238 -6.337
248 3HG2 THR 83 3HG2 THR 83 -11.602 -4.048 -4.592
249 H HIS 84 H HIS 84 -11.567 0.931 -5.087
250 HA HIS 84 HA HIS 84 -12.093 0.493 -2.297
251 1HB HIS 84 2HB HIS 84 -13.044 2.643 -2.421
252 2HB HIS 84 3HB HIS 84 -11.905 2.648 -3.763
253 HD1 HIS 84 HD1 HIS 84 -12.911 2.405 -6.185
254 HD2 HIS 84 HD2 HIS 84 -15.759 2.777 -3.162
255 HE1 HIS 84 HE1 HIS 84 -15.111 2.914 -7.332
256 H LYS 85 H LYS 85 -13.548 -0.971 -1.527
257 HA LYS 85 HA LYS 85 -15.494 -2.384 -2.978
258 1HB LYS 85 2HB LYS 85 -15.348 -1.539 -0.066
259 2HB LYS 85 3HB LYS 85 -16.457 -2.771 -0.674
260 1HG LYS 85 2HG LYS 85 -14.813 -4.323 -0.886
261 2HG LYS 85 3HG LYS 85 -13.659 -3.147 -1.519
262 1HD LYS 85 2HD LYS 85 -12.658 -3.069 0.491
263 2HD LYS 85 3HD LYS 85 -14.154 -2.459 1.197
264 1HE LYS 85 2HE LYS 85 -13.233 -4.639 2.211
265 2HE LYS 85 3HE LYS 85 -14.929 -4.689 1.690
266 1HZ LYS 85 1HZ LYS 85 -12.960 -5.239 -0.371
267 2HZ LYS 85 2HZ LYS 85 -13.083 -6.423 0.842
268 3HZ LYS 85 3HZ LYS 85 -14.451 -5.990 -0.069
No H/Q in entry = 268
Start of MODEL 4
1 1H SER 45 1H SER 45 9.475 8.264 7.081
2 2H SER 45 3H SER 45 8.373 7.013 7.410
3 3H SER 45 2H SER 45 9.620 7.362 8.510
4 HA SER 45 HA SER 45 11.267 6.446 7.153
5 1HB SER 45 2HB SER 45 8.631 5.031 7.284
6 2HB SER 45 3HB SER 45 9.935 4.272 6.376
7 HG SER 45 HG SER 45 10.720 3.702 8.228
8 H ASP 46 H ASP 46 12.164 6.658 5.138
9 HA ASP 46 HA ASP 46 10.379 6.608 2.745
10 1HB ASP 46 2HB ASP 46 11.859 8.861 3.918
11 2HB ASP 46 3HB ASP 46 12.198 8.622 2.203
12 H GLY 47 H GLY 47 11.253 5.007 1.487
13 1HA GLY 47 2HA GLY 47 14.213 4.983 1.126
14 2HA GLY 47 3HA GLY 47 13.371 3.475 1.489
15 H ASP 48 H ASP 48 11.189 3.450 -0.050
16 HA ASP 48 HA ASP 48 11.528 4.441 -2.742
17 1HB ASP 48 2HB ASP 48 12.979 2.069 -1.890
18 2HB ASP 48 3HB ASP 48 11.891 1.700 -3.228
19 H GLN 49 H GLN 49 10.586 1.114 -1.992
20 HA GLN 49 HA GLN 49 8.120 1.079 -3.260
21 1HB GLN 49 2HB GLN 49 8.619 -0.190 -0.574
22 2HB GLN 49 3HB GLN 49 7.619 -0.812 -1.873
23 1HG GLN 49 2HG GLN 49 10.633 -0.689 -1.716
24 2HG GLN 49 3HG GLN 49 9.606 -2.091 -2.001
25 1HE2 GLN 49 1HE2 GLN 49 8.783 -0.500 -5.353
26 2HE2 GLN 49 2HE2 GLN 49 7.862 -0.683 -3.936
27 H CYS 50 H CYS 50 8.498 1.678 0.245
28 HA CYS 50 HA CYS 50 5.800 2.796 0.453
29 1HB CYS 50 2HB CYS 50 8.100 2.078 2.180
30 2HB CYS 50 3HB CYS 50 7.099 3.398 2.782
31 H ALA 51 H ALA 51 8.903 3.992 -0.392
32 HA ALA 51 HA ALA 51 8.774 6.669 0.624
33 1HB ALA 51 1HB ALA 51 10.081 5.444 -1.830
34 2HB ALA 51 2HB ALA 51 10.460 7.047 -1.197
35 3HB ALA 51 3HB ALA 51 10.808 5.613 -0.232
36 H SER 52 H SER 52 7.213 5.083 -2.073
37 HA SER 52 HA SER 52 6.334 7.690 -3.219
38 1HB SER 52 2HB SER 52 7.308 5.623 -4.486
39 2HB SER 52 3HB SER 52 5.705 4.930 -4.258
40 HG SER 52 HG SER 52 6.285 6.364 -6.210
41 H SER 53 H SER 53 5.277 5.281 -1.057
42 HA SER 53 HA SER 53 3.209 5.036 0.071
43 1HB SER 53 2HB SER 53 2.041 7.275 -1.519
44 2HB SER 53 3HB SER 53 1.974 6.982 0.217
45 HG SER 53 HG SER 53 3.396 8.749 -0.676
46 HA PRO 54 HA PRO 54 1.728 2.969 -3.820
47 1HB PRO 54 2HB PRO 54 1.534 0.487 -2.601
48 2HB PRO 54 3HB PRO 54 2.963 1.058 -3.486
49 1HG PRO 54 2HG PRO 54 2.474 0.932 -0.564
50 2HG PRO 54 3HG PRO 54 3.976 0.704 -1.472
51 1HD PRO 54 2HD PRO 54 3.387 2.972 -0.084
52 2HD PRO 54 3HD PRO 54 4.446 2.941 -1.511
53 H CYS 55 H CYS 55 0.701 1.845 -0.569
54 HA CYS 55 HA CYS 55 -2.018 1.368 -1.156
55 1HB CYS 55 2HB CYS 55 -0.348 1.195 0.990
56 2HB CYS 55 3HB CYS 55 -1.345 2.568 1.473
57 H GLN 56 H GLN 56 -3.885 2.715 -0.994
58 HA GLN 56 HA GLN 56 -3.428 5.641 -0.661
59 1HB GLN 56 2HB GLN 56 -4.854 4.205 -2.921
60 2HB GLN 56 3HB GLN 56 -4.847 5.956 -2.701
61 1HG GLN 56 2HG GLN 56 -2.491 6.089 -3.041
62 2HG GLN 56 3HG GLN 56 -2.303 4.341 -2.897
63 1HE2 GLN 56 1HE2 GLN 56 -3.804 3.769 -6.195
64 2HE2 GLN 56 2HE2 GLN 56 -3.911 3.148 -4.609
65 H ASN 57 H ASN 57 -5.795 6.699 -0.819
66 HA ASN 57 HA ASN 57 -7.893 6.928 0.242
67 1HB ASN 57 2HB ASN 57 -7.862 3.908 -0.065
68 2HB ASN 57 3HB ASN 57 -9.289 4.936 0.074
69 1HD2 ASN 57 1HD2 ASN 57 -8.052 4.213 -3.573
70 2HD2 ASN 57 2HD2 ASN 57 -7.908 3.186 -2.218
71 H GLY 58 H GLY 58 -5.604 6.770 1.966
72 1HA GLY 58 2HA GLY 58 -5.342 6.716 4.315
73 2HA GLY 58 3HA GLY 58 -6.938 5.978 4.442
74 H GLY 59 H GLY 59 -4.968 4.381 2.176
75 1HA GLY 59 2HA GLY 59 -4.737 2.077 3.998
76 2HA GLY 59 3HA GLY 59 -4.353 2.078 2.273
77 H SER 60 H SER 60 -2.758 1.209 4.712
78 HA SER 60 HA SER 60 -0.468 3.093 4.670
79 1HB SER 60 2HB SER 60 -0.885 0.460 6.120
80 2HB SER 60 3HB SER 60 0.326 1.683 6.495
81 HG SER 60 HG SER 60 -2.267 1.533 7.238
82 H CYS 61 H CYS 61 1.768 1.967 4.454
83 HA CYS 61 HA CYS 61 1.643 -0.113 2.294
84 1HB CYS 61 2HB CYS 61 3.388 1.083 1.160
85 2HB CYS 61 3HB CYS 61 2.201 2.295 1.642
86 H LYS 62 H LYS 62 3.021 -1.860 2.579
87 HA LYS 62 HA LYS 62 4.661 -1.884 5.076
88 1HB LYS 62 2HB LYS 62 2.882 -3.592 4.682
89 2HB LYS 62 3HB LYS 62 3.743 -4.116 3.236
90 1HG LYS 62 2HG LYS 62 5.781 -4.421 4.804
91 2HG LYS 62 3HG LYS 62 4.601 -4.354 6.114
92 1HD LYS 62 2HD LYS 62 3.306 -6.138 4.728
93 2HD LYS 62 3HD LYS 62 4.846 -6.382 3.902
94 1HE LYS 62 2HE LYS 62 5.846 -6.574 6.310
95 2HE LYS 62 3HE LYS 62 4.167 -6.876 6.798
96 1HZ LYS 62 3HZ LYS 62 4.112 -8.479 4.847
97 2HZ LYS 62 1HZ LYS 62 5.808 -8.382 4.849
98 3HZ LYS 62 2HZ LYS 62 4.993 -8.974 6.213
99 H ASP 63 H ASP 63 6.880 -2.371 4.983
100 HA ASP 63 HA ASP 63 8.087 -2.408 2.238
101 1HB ASP 63 2HB ASP 63 8.950 -1.257 4.900
102 2HB ASP 63 3HB ASP 63 10.063 -1.416 3.541
103 H GLN 64 H GLN 64 8.642 -4.522 1.824
104 HA GLN 64 HA GLN 64 9.828 -6.138 4.048
105 1HB GLN 64 2HB GLN 64 9.309 -7.681 1.681
106 2HB GLN 64 3HB GLN 64 8.514 -7.791 3.246
107 1HG GLN 64 2HG GLN 64 6.988 -5.935 2.559
108 2HG GLN 64 3HG GLN 64 7.746 -5.943 0.966
109 1HE2 GLN 64 1HE2 GLN 64 5.486 -8.420 -0.103
110 2HE2 GLN 64 2HE2 GLN 64 6.296 -6.956 -0.435
111 H LEU 65 H LEU 65 11.390 -7.921 2.857
112 HA LEU 65 HA LEU 65 13.584 -6.298 1.739
113 1HB LEU 65 2HB LEU 65 13.577 -8.188 3.569
114 2HB LEU 65 3HB LEU 65 13.623 -9.269 2.176
115 HG LEU 65 HG LEU 65 15.519 -7.144 1.778
116 1HD1 LEU 65 1HD1 LEU 65 15.730 -8.651 4.400
117 2HD1 LEU 65 2HD1 LEU 65 17.055 -7.747 3.667
118 3HD1 LEU 65 3HD1 LEU 65 15.599 -6.905 4.195
119 1HD2 LEU 65 3HD2 LEU 65 15.498 -10.136 2.006
120 2HD2 LEU 65 1HD2 LEU 65 15.952 -9.125 0.634
121 3HD2 LEU 65 2HD2 LEU 65 17.049 -9.297 2.004
122 H GLN 66 H GLN 66 11.096 -8.341 0.586
123 HA GLN 66 HA GLN 66 12.541 -8.871 -1.977
124 1HB GLN 66 2HB GLN 66 10.841 -10.575 -2.288
125 2HB GLN 66 3HB GLN 66 11.436 -10.705 -0.632
126 1HG GLN 66 2HG GLN 66 9.519 -9.381 0.170
127 2HG GLN 66 3HG GLN 66 8.923 -9.236 -1.484
128 1HE2 GLN 66 1HE2 GLN 66 8.330 -12.917 -1.581
129 2HE2 GLN 66 2HE2 GLN 66 9.256 -11.818 -2.484
130 H SER 67 H SER 67 9.963 -7.013 -0.561
131 HA SER 67 HA SER 67 9.645 -5.321 -2.855
132 1HB SER 67 2HB SER 67 8.623 -7.688 -3.427
133 2HB SER 67 3HB SER 67 7.273 -7.125 -2.446
134 HG SER 67 HG SER 67 8.140 -6.314 -4.938
135 H TYR 68 H TYR 68 6.557 -5.436 -2.073
136 HA TYR 68 HA TYR 68 6.594 -4.428 0.686
137 1HB TYR 68 2HB TYR 68 5.885 -2.145 -0.014
138 2HB TYR 68 3HB TYR 68 7.497 -2.546 -0.615
139 HD1 TYR 68 HD1 TYR 68 3.935 -2.152 -1.530
140 HD2 TYR 68 HD2 TYR 68 7.910 -2.903 -2.974
141 HE1 TYR 68 HE1 TYR 68 3.160 -1.781 -3.857
142 HE2 TYR 68 HE2 TYR 68 7.133 -2.536 -5.302
143 HH TYR 68 HH TYR 68 4.764 -0.997 -6.226
144 H ILE 69 H ILE 69 4.395 -4.159 1.488
145 HA ILE 69 HA ILE 69 2.235 -4.937 -0.429
146 HB ILE 69 HB ILE 69 3.176 -6.267 2.089
147 1HG1 ILE 69 2HG1 ILE 69 2.257 -7.118 -0.665
148 2HG1 ILE 69 3HG1 ILE 69 3.879 -7.251 0.017
149 1HG2 ILE 69 3HG2 ILE 69 0.769 -5.661 2.449
150 2HG2 ILE 69 1HG2 ILE 69 0.368 -6.524 0.964
151 3HG2 ILE 69 2HG2 ILE 69 1.032 -7.401 2.344
152 1HD1 ILE 69 3HD1 ILE 69 2.848 -8.753 1.809
153 2HD1 ILE 69 1HD1 ILE 69 1.408 -8.804 0.793
154 3HD1 ILE 69 2HD1 ILE 69 2.937 -9.435 0.185
155 H CYS 70 H CYS 70 0.693 -3.390 -0.311
156 HA CYS 70 HA CYS 70 0.503 -1.550 1.931
157 1HB CYS 70 2HB CYS 70 -0.088 -0.403 0.080
158 2HB CYS 70 3HB CYS 70 -0.340 -1.883 -0.801
159 H PHE 71 H PHE 71 -1.747 -1.153 2.860
160 HA PHE 71 HA PHE 71 -3.455 -3.561 3.126
161 1HB PHE 71 2HB PHE 71 -1.851 -2.220 5.322
162 2HB PHE 71 3HB PHE 71 -3.238 -3.261 5.667
163 HD1 PHE 71 HD1 PHE 71 -3.208 -5.571 4.288
164 HD2 PHE 71 HD2 PHE 71 0.248 -3.221 5.281
165 HE1 PHE 71 HE1 PHE 71 -1.769 -7.576 4.028
166 HE2 PHE 71 HE2 PHE 71 1.686 -5.226 5.022
167 HZ PHE 71 HZ PHE 71 0.677 -7.403 4.395
168 H CYS 72 H CYS 72 -5.200 -2.349 2.261
169 HA CYS 72 HA CYS 72 -5.840 0.345 3.143
170 1HB CYS 72 2HB CYS 72 -7.669 -1.659 1.810
171 2HB CYS 72 3HB CYS 72 -7.683 0.096 1.645
172 H LEU 73 H LEU 73 -8.637 0.119 3.499
173 HA LEU 73 HA LEU 73 -8.789 -1.236 6.173
174 1HB LEU 73 2HB LEU 73 -10.475 1.089 5.231
175 2HB LEU 73 3HB LEU 73 -10.094 0.614 6.885
176 HG LEU 73 HG LEU 73 -7.588 1.056 5.833
177 1HD1 LEU 73 3HD1 LEU 73 -8.651 1.973 3.761
178 2HD1 LEU 73 1HD1 LEU 73 -9.442 3.203 4.748
179 3HD1 LEU 73 2HD1 LEU 73 -7.683 3.173 4.617
180 1HD2 LEU 73 3HD2 LEU 73 -9.465 2.966 7.265
181 2HD2 LEU 73 1HD2 LEU 73 -8.327 1.843 8.012
182 3HD2 LEU 73 2HD2 LEU 73 -7.729 3.229 7.100
183 HA PRO 74 HA PRO 74 -12.430 -3.415 5.025
184 1HB PRO 74 2HB PRO 74 -14.311 -1.819 6.640
185 2HB PRO 74 3HB PRO 74 -13.830 -3.517 6.832
186 1HG PRO 74 2HG PRO 74 -13.054 -1.570 8.532
187 2HG PRO 74 3HG PRO 74 -12.081 -3.009 8.195
188 1HD PRO 74 2HD PRO 74 -11.721 -0.220 7.235
189 2HD PRO 74 3HD PRO 74 -10.503 -1.459 7.610
190 H ALA 75 H ALA 75 -12.298 -0.050 4.537
191 HA ALA 75 HA ALA 75 -14.816 0.144 3.009
192 1HB ALA 75 1HB ALA 75 -12.518 2.020 3.636
193 2HB ALA 75 2HB ALA 75 -13.938 2.501 2.707
194 3HB ALA 75 3HB ALA 75 -14.112 2.003 4.390
195 H PHE 76 H PHE 76 -11.338 -0.135 2.404
196 HA PHE 76 HA PHE 76 -11.922 -0.159 -0.532
197 1HB PHE 76 2HB PHE 76 -9.328 0.529 0.875
198 2HB PHE 76 3HB PHE 76 -9.723 0.799 -0.826
199 HD1 PHE 76 HD1 PHE 76 -10.352 1.901 2.643
200 HD2 PHE 76 HD2 PHE 76 -11.186 2.607 -1.511
201 HE1 PHE 76 HE1 PHE 76 -11.317 4.112 3.212
202 HE2 PHE 76 HE2 PHE 76 -12.152 4.817 -0.944
203 HZ PHE 76 HZ PHE 76 -12.216 5.572 1.421
204 H GLU 77 H GLU 77 -9.872 -1.344 -1.629
205 HA GLU 77 HA GLU 77 -8.763 -3.603 -0.166
206 1HB GLU 77 2HB GLU 77 -11.339 -3.955 -0.710
207 2HB GLU 77 3HB GLU 77 -10.719 -4.370 -2.309
208 1HG GLU 77 2HG GLU 77 -9.018 -5.834 -0.864
209 2HG GLU 77 3HG GLU 77 -10.347 -5.786 0.295
210 H GLY 78 H GLY 78 -7.300 -4.839 -1.555
211 1HA GLY 78 2HA GLY 78 -6.571 -5.228 -3.948
212 2HA GLY 78 3HA GLY 78 -6.767 -3.489 -4.173
213 H ARG 79 H ARG 79 -4.318 -4.748 -4.693
214 HA ARG 79 HA ARG 79 -2.429 -4.808 -2.583
215 1HB ARG 79 2HB ARG 79 -2.043 -5.655 -4.844
216 2HB ARG 79 3HB ARG 79 -2.173 -4.023 -5.502
217 1HG ARG 79 2HG ARG 79 -0.215 -3.347 -4.103
218 2HG ARG 79 3HG ARG 79 -0.050 -5.025 -3.583
219 1HD ARG 79 2HD ARG 79 -0.247 -4.988 -6.450
220 2HD ARG 79 3HD ARG 79 1.014 -3.846 -5.945
221 HE ARG 79 HE ARG 79 0.936 -6.733 -5.180
222 1HH1 ARG 79 1HH1 ARG 79 2.779 -4.339 -6.582
223 2HH1 ARG 79 2HH1 ARG 79 4.216 -4.646 -5.668
224 1HH2 ARG 79 1HH2 ARG 79 2.675 -6.857 -3.485
225 2HH2 ARG 79 2HH2 ARG 79 4.158 -6.071 -3.914
226 H ASN 80 H ASN 80 -4.120 -2.102 -3.857
227 HA ASN 80 HA ASN 80 -2.451 -0.271 -2.220
228 1HB ASN 80 2HB ASN 80 -2.956 0.059 -5.201
229 2HB ASN 80 3HB ASN 80 -2.094 1.207 -4.173
230 1HD2 ASN 80 1HD2 ASN 80 0.728 -1.091 -3.733
231 2HD2 ASN 80 2HD2 ASN 80 -0.254 -0.064 -2.789
232 H CYS 81 H CYS 81 -5.310 -1.322 -2.326
233 HA CYS 81 HA CYS 81 -7.450 -0.409 -1.872
234 1HB CYS 81 2HB CYS 81 -6.068 2.281 -1.975
235 2HB CYS 81 3HB CYS 81 -7.471 1.815 -1.015
236 H GLU 82 H GLU 82 -5.855 -0.198 -4.670
237 HA GLU 82 HA GLU 82 -7.117 1.875 -6.173
238 1HB GLU 82 2HB GLU 82 -5.243 0.889 -7.152
239 2HB GLU 82 3HB GLU 82 -5.742 -0.743 -6.702
240 1HG GLU 82 2HG GLU 82 -7.604 -0.578 -8.370
241 2HG GLU 82 3HG GLU 82 -6.966 0.988 -8.873
242 H THR 83 H THR 83 -8.441 -0.955 -4.795
243 HA THR 83 HA THR 83 -10.730 -0.933 -6.730
244 HB THR 83 HB THR 83 -9.917 -3.050 -4.717
245 HG1 THR 83 HG1 THR 83 -8.283 -3.173 -6.064
246 1HG2 THR 83 1HG2 THR 83 -12.176 -2.694 -6.428
247 2HG2 THR 83 2HG2 THR 83 -11.228 -4.048 -7.045
248 3HG2 THR 83 3HG2 THR 83 -11.807 -4.063 -5.379
249 H HIS 84 H HIS 84 -11.246 1.110 -5.264
250 HA HIS 84 HA HIS 84 -12.025 1.017 -2.585
251 1HB HIS 84 2HB HIS 84 -12.086 3.067 -3.799
252 2HB HIS 84 3HB HIS 84 -13.159 2.395 -5.027
253 HD1 HIS 84 HD1 HIS 84 -15.527 3.089 -4.743
254 HD2 HIS 84 HD2 HIS 84 -13.534 2.961 -1.084
255 HE1 HIS 84 HE1 HIS 84 -17.200 3.824 -2.989
256 H LYS 85 H LYS 85 -13.678 0.000 -1.475
257 HA LYS 85 HA LYS 85 -15.299 -2.010 -2.793
258 1HB LYS 85 2HB LYS 85 -15.535 -0.780 -0.027
259 2HB LYS 85 3HB LYS 85 -16.135 -2.364 -0.528
260 1HG LYS 85 2HG LYS 85 -13.798 -3.055 -1.041
261 2HG LYS 85 3HG LYS 85 -13.229 -1.496 -0.439
262 1HD LYS 85 2HD LYS 85 -13.412 -2.159 1.712
263 2HD LYS 85 3HD LYS 85 -15.031 -2.806 1.448
264 1HE LYS 85 2HE LYS 85 -13.629 -4.696 0.140
265 2HE LYS 85 3HE LYS 85 -12.398 -4.199 1.317
266 1HZ LYS 85 3HZ LYS 85 -14.136 -4.357 3.053
267 2HZ LYS 85 1HZ LYS 85 -15.193 -5.017 1.903
268 3HZ LYS 85 2HZ LYS 85 -13.778 -5.853 2.333
No H/Q in entry = 268
Start of MODEL 5
1 1H SER 45 1H SER 45 10.856 5.877 5.158
2 2H SER 45 3H SER 45 9.967 6.894 6.185
3 3H SER 45 2H SER 45 10.251 7.353 4.574
4 HA SER 45 HA SER 45 11.878 8.594 5.557
5 1HB SER 45 2HB SER 45 10.962 7.413 7.738
6 2HB SER 45 3HB SER 45 12.428 6.448 7.585
7 HG SER 45 HG SER 45 12.384 9.283 7.514
8 H ASP 46 H ASP 46 12.488 7.328 3.341
9 HA ASP 46 HA ASP 46 15.273 6.680 3.514
10 1HB ASP 46 2HB ASP 46 14.837 4.179 2.851
11 2HB ASP 46 3HB ASP 46 14.724 4.641 4.548
12 H GLY 47 H GLY 47 13.523 4.566 1.400
13 1HA GLY 47 2HA GLY 47 12.737 6.106 -0.751
14 2HA GLY 47 3HA GLY 47 14.490 6.021 -0.929
15 H ASP 48 H ASP 48 11.529 4.325 -1.359
16 HA ASP 48 HA ASP 48 12.761 2.270 -2.960
17 1HB ASP 48 2HB ASP 48 12.623 1.927 -0.073
18 2HB ASP 48 3HB ASP 48 11.739 0.649 -0.907
19 H GLN 49 H GLN 49 10.136 1.657 -0.667
20 HA GLN 49 HA GLN 49 8.207 1.755 -2.961
21 1HB GLN 49 2HB GLN 49 8.153 0.020 -0.490
22 2HB GLN 49 3HB GLN 49 7.114 -0.132 -1.906
23 1HG GLN 49 2HG GLN 49 8.691 -1.262 -3.073
24 2HG GLN 49 3HG GLN 49 9.971 -0.156 -2.569
25 1HE2 GLN 49 1HE2 GLN 49 10.239 -2.083 0.652
26 2HE2 GLN 49 2HE2 GLN 49 9.794 -0.483 0.262
27 H CYS 50 H CYS 50 8.199 1.785 0.624
28 HA CYS 50 HA CYS 50 5.749 3.382 0.708
29 1HB CYS 50 2HB CYS 50 7.764 2.450 2.776
30 2HB CYS 50 3HB CYS 50 6.248 3.258 3.175
31 H ALA 51 H ALA 51 8.757 4.279 -0.171
32 HA ALA 51 HA ALA 51 9.204 6.612 1.522
33 1HB ALA 51 3HB ALA 51 10.956 5.308 0.302
34 2HB ALA 51 1HB ALA 51 10.276 5.876 -1.223
35 3HB ALA 51 2HB ALA 51 10.998 7.026 -0.097
36 H SER 52 H SER 52 6.814 5.999 -0.670
37 HA SER 52 HA SER 52 6.397 8.897 -1.180
38 1HB SER 52 2HB SER 52 6.464 6.769 -3.343
39 2HB SER 52 3HB SER 52 6.143 8.483 -3.588
40 HG SER 52 HG SER 52 8.531 7.205 -2.777
41 H SER 53 H SER 53 5.130 6.395 0.224
42 HA SER 53 HA SER 53 2.935 5.614 0.628
43 1HB SER 53 2HB SER 53 2.870 8.204 0.792
44 2HB SER 53 3HB SER 53 2.086 8.146 -0.784
45 HG SER 53 HG SER 53 1.241 6.944 1.645
46 HA PRO 54 HA PRO 54 2.510 4.401 -3.835
47 1HB PRO 54 2HB PRO 54 3.006 1.737 -3.476
48 2HB PRO 54 3HB PRO 54 4.295 2.927 -3.756
49 1HG PRO 54 2HG PRO 54 3.421 1.642 -1.226
50 2HG PRO 54 3HG PRO 54 5.044 2.107 -1.756
51 1HD PRO 54 2HD PRO 54 3.512 3.537 0.031
52 2HD PRO 54 3HD PRO 54 4.835 4.221 -0.939
53 H CYS 55 H CYS 55 0.938 3.983 -0.943
54 HA CYS 55 HA CYS 55 -1.081 2.046 -1.954
55 1HB CYS 55 2HB CYS 55 -1.057 3.454 0.718
56 2HB CYS 55 3HB CYS 55 -1.719 1.868 0.322
57 H GLN 56 H GLN 56 -3.430 2.698 -1.589
58 HA GLN 56 HA GLN 56 -3.829 5.633 -2.000
59 1HB GLN 56 2HB GLN 56 -5.025 3.260 -3.454
60 2HB GLN 56 3HB GLN 56 -5.603 4.916 -3.651
61 1HG GLN 56 2HG GLN 56 -3.377 5.623 -4.404
62 2HG GLN 56 3HG GLN 56 -2.766 3.984 -4.172
63 1HE2 GLN 56 1HE2 GLN 56 -5.175 2.884 -6.884
64 2HE2 GLN 56 2HE2 GLN 56 -5.111 2.591 -5.204
65 H ASN 57 H ASN 57 -6.239 6.187 -1.677
66 HA ASN 57 HA ASN 57 -8.089 6.266 -0.209
67 1HB ASN 57 2HB ASN 57 -7.509 3.297 -0.392
68 2HB ASN 57 3HB ASN 57 -8.974 3.963 0.327
69 1HD2 ASN 57 1HD2 ASN 57 -8.784 3.580 -3.661
70 2HD2 ASN 57 2HD2 ASN 57 -7.658 2.863 -2.600
71 H GLY 58 H GLY 58 -5.520 6.714 0.989
72 1HA GLY 58 2HA GLY 58 -4.506 6.795 3.102
73 2HA GLY 58 3HA GLY 58 -6.127 6.524 3.741
74 H GLY 59 H GLY 59 -4.555 4.211 1.610
75 1HA GLY 59 2HA GLY 59 -4.869 2.127 3.635
76 2HA GLY 59 3HA GLY 59 -4.204 1.901 2.012
77 H SER 60 H SER 60 -3.052 0.835 4.448
78 HA SER 60 HA SER 60 -0.765 2.503 5.193
79 1HB SER 60 2HB SER 60 -2.185 0.352 6.234
80 2HB SER 60 3HB SER 60 -0.643 -0.367 5.774
81 HG SER 60 HG SER 60 0.366 1.352 6.950
82 H CYS 61 H CYS 61 1.504 1.576 4.940
83 HA CYS 61 HA CYS 61 1.811 0.184 2.297
84 1HB CYS 61 2HB CYS 61 2.284 2.653 2.301
85 2HB CYS 61 3HB CYS 61 3.542 2.366 3.502
86 H LYS 62 H LYS 62 2.587 -1.845 2.829
87 HA LYS 62 HA LYS 62 4.371 -2.180 5.174
88 1HB LYS 62 2HB LYS 62 2.449 -3.709 4.629
89 2HB LYS 62 3HB LYS 62 3.316 -4.194 3.170
90 1HG LYS 62 2HG LYS 62 5.239 -4.908 4.581
91 2HG LYS 62 3HG LYS 62 4.293 -4.519 6.020
92 1HD LYS 62 2HD LYS 62 2.498 -6.089 4.975
93 2HD LYS 62 3HD LYS 62 3.831 -6.692 3.991
94 1HE LYS 62 2HE LYS 62 4.654 -7.893 5.730
95 2HE LYS 62 3HE LYS 62 4.599 -6.478 6.800
96 1HZ LYS 62 1HZ LYS 62 2.110 -7.830 5.981
97 2HZ LYS 62 2HZ LYS 62 3.020 -8.442 7.278
98 3HZ LYS 62 3HZ LYS 62 2.398 -6.862 7.343
99 H ASP 63 H ASP 63 6.519 -2.937 4.992
100 HA ASP 63 HA ASP 63 7.715 -2.733 2.248
101 1HB ASP 63 2HB ASP 63 8.353 -0.971 3.859
102 2HB ASP 63 3HB ASP 63 8.884 -2.206 5.002
103 H GLN 64 H GLN 64 8.030 -4.822 1.547
104 HA GLN 64 HA GLN 64 9.009 -6.851 3.517
105 1HB GLN 64 2HB GLN 64 8.378 -7.978 0.953
106 2HB GLN 64 3HB GLN 64 7.544 -8.223 2.481
107 1HG GLN 64 2HG GLN 64 6.231 -6.139 2.060
108 2HG GLN 64 3HG GLN 64 7.019 -5.997 0.487
109 1HE2 GLN 64 1HE2 GLN 64 4.110 -8.827 1.039
110 2HE2 GLN 64 2HE2 GLN 64 4.758 -7.994 2.380
111 H LEU 65 H LEU 65 10.436 -8.589 2.162
112 HA LEU 65 HA LEU 65 12.804 -7.083 1.295
113 1HB LEU 65 2HB LEU 65 12.115 -9.988 1.764
114 2HB LEU 65 3HB LEU 65 13.703 -9.480 1.191
115 HG LEU 65 HG LEU 65 13.819 -7.929 3.191
116 1HD1 LEU 65 1HD1 LEU 65 11.224 -9.339 3.711
117 2HD1 LEU 65 2HD1 LEU 65 12.237 -8.883 5.082
118 3HD1 LEU 65 3HD1 LEU 65 11.645 -7.647 3.971
119 1HD2 LEU 65 3HD2 LEU 65 13.556 -10.915 3.663
120 2HD2 LEU 65 1HD2 LEU 65 15.022 -10.051 3.200
121 3HD2 LEU 65 2HD2 LEU 65 14.311 -9.791 4.793
122 H GLN 66 H GLN 66 10.135 -8.615 -0.201
123 HA GLN 66 HA GLN 66 11.579 -8.920 -2.796
124 1HB GLN 66 2HB GLN 66 9.459 -10.133 -3.400
125 2HB GLN 66 3HB GLN 66 10.274 -10.819 -1.995
126 1HG GLN 66 2HG GLN 66 8.429 -8.687 -1.248
127 2HG GLN 66 3HG GLN 66 7.613 -9.999 -2.101
128 1HE2 GLN 66 1HE2 GLN 66 8.873 -12.426 0.426
129 2HE2 GLN 66 2HE2 GLN 66 8.988 -12.257 -1.259
130 H SER 67 H SER 67 9.220 -6.969 -1.140
131 HA SER 67 HA SER 67 9.257 -4.863 -3.072
132 1HB SER 67 2HB SER 67 6.934 -5.280 -3.987
133 2HB SER 67 3HB SER 67 8.126 -6.472 -4.495
134 HG SER 67 HG SER 67 6.703 -6.916 -2.127
135 H TYR 68 H TYR 68 6.059 -4.949 -2.368
136 HA TYR 68 HA TYR 68 6.153 -4.340 0.499
137 1HB TYR 68 2HB TYR 68 5.451 -1.953 0.090
138 2HB TYR 68 3HB TYR 68 7.101 -2.310 -0.433
139 HD1 TYR 68 HD1 TYR 68 7.534 -2.809 -2.879
140 HD2 TYR 68 HD2 TYR 68 3.793 -1.250 -1.460
141 HE1 TYR 68 HE1 TYR 68 6.955 -2.100 -5.184
142 HE2 TYR 68 HE2 TYR 68 3.214 -0.539 -3.763
143 HH TYR 68 HH TYR 68 4.211 -0.070 -5.846
144 H ILE 69 H ILE 69 4.007 -4.192 1.377
145 HA ILE 69 HA ILE 69 1.791 -4.617 -0.595
146 HB ILE 69 HB ILE 69 2.963 -6.570 0.929
147 1HG1 ILE 69 2HG1 ILE 69 0.009 -6.645 0.360
148 2HG1 ILE 69 3HG1 ILE 69 1.181 -6.597 -0.957
149 1HG2 ILE 69 1HG2 ILE 69 0.584 -5.515 2.480
150 2HG2 ILE 69 2HG2 ILE 69 1.253 -7.132 2.696
151 3HG2 ILE 69 3HG2 ILE 69 2.235 -5.715 3.065
152 1HD1 ILE 69 3HD1 ILE 69 2.248 -8.527 0.689
153 2HD1 ILE 69 1HD1 ILE 69 0.514 -8.799 0.876
154 3HD1 ILE 69 2HD1 ILE 69 1.248 -8.854 -0.727
155 H CYS 70 H CYS 70 0.386 -2.932 -0.322
156 HA CYS 70 HA CYS 70 0.328 -1.369 2.140
157 1HB CYS 70 2HB CYS 70 -1.307 -1.371 -0.404
158 2HB CYS 70 3HB CYS 70 -1.423 -0.135 0.847
159 H PHE 71 H PHE 71 -1.243 -1.426 3.738
160 HA PHE 71 HA PHE 71 -3.244 -3.642 3.577
161 1HB PHE 71 2HB PHE 71 -1.808 -2.136 5.756
162 2HB PHE 71 3HB PHE 71 -3.301 -3.003 6.126
163 HD1 PHE 71 HD1 PHE 71 -3.172 -5.357 4.411
164 HD2 PHE 71 HD2 PHE 71 -0.041 -3.417 6.621
165 HE1 PHE 71 HE1 PHE 71 -1.913 -7.490 4.499
166 HE2 PHE 71 HE2 PHE 71 1.219 -5.551 6.709
167 HZ PHE 71 HZ PHE 71 0.283 -7.588 5.648
168 H CYS 72 H CYS 72 -4.727 -2.339 2.247
169 HA CYS 72 HA CYS 72 -5.691 0.251 2.903
170 1HB CYS 72 2HB CYS 72 -7.217 -2.055 1.659
171 2HB CYS 72 3HB CYS 72 -7.498 -0.333 1.391
172 H LEU 73 H LEU 73 -8.175 0.498 3.522
173 HA LEU 73 HA LEU 73 -8.510 -0.846 6.157
174 1HB LEU 73 2HB LEU 73 -10.159 1.390 4.960
175 2HB LEU 73 3HB LEU 73 -9.881 1.035 6.664
176 HG LEU 73 HG LEU 73 -7.711 1.901 4.732
177 1HD1 LEU 73 1HD1 LEU 73 -9.211 3.493 6.839
178 2HD1 LEU 73 2HD1 LEU 73 -7.830 4.076 5.909
179 3HD1 LEU 73 3HD1 LEU 73 -9.350 3.709 5.094
180 1HD2 LEU 73 1HD2 LEU 73 -7.148 0.503 6.817
181 2HD2 LEU 73 2HD2 LEU 73 -6.309 2.047 6.656
182 3HD2 LEU 73 3HD2 LEU 73 -7.679 1.897 7.758
183 HA PRO 74 HA PRO 74 -12.080 -3.180 5.125
184 1HB PRO 74 2HB PRO 74 -13.990 -1.522 6.645
185 2HB PRO 74 3HB PRO 74 -13.481 -3.198 6.936
186 1HG PRO 74 2HG PRO 74 -12.733 -1.145 8.517
187 2HG PRO 74 3HG PRO 74 -11.729 -2.578 8.253
188 1HD PRO 74 2HD PRO 74 -11.446 0.160 7.129
189 2HD PRO 74 3HD PRO 74 -10.193 -1.020 7.575
190 H ALA 75 H ALA 75 -12.028 0.148 4.419
191 HA ALA 75 HA ALA 75 -14.567 0.257 2.949
192 1HB ALA 75 1HB ALA 75 -12.200 2.043 3.467
193 2HB ALA 75 2HB ALA 75 -13.385 2.489 2.239
194 3HB ALA 75 3HB ALA 75 -13.888 2.288 3.918
195 H PHE 76 H PHE 76 -11.221 -0.506 2.262
196 HA PHE 76 HA PHE 76 -11.924 -0.767 -0.637
197 1HB PHE 76 2HB PHE 76 -9.175 -0.143 0.454
198 2HB PHE 76 3HB PHE 76 -9.784 0.116 -1.184
199 HD1 PHE 76 HD1 PHE 76 -10.163 1.230 2.357
200 HD2 PHE 76 HD2 PHE 76 -10.858 2.145 -1.782
201 HE1 PHE 76 HE1 PHE 76 -10.865 3.524 2.982
202 HE2 PHE 76 HE2 PHE 76 -11.559 4.441 -1.157
203 HZ PHE 76 HZ PHE 76 -11.562 5.130 1.225
204 H GLU 77 H GLU 77 -9.875 -2.190 -1.605
205 HA GLU 77 HA GLU 77 -8.961 -4.321 0.169
206 1HB GLU 77 2HB GLU 77 -10.351 -6.059 -1.089
207 2HB GLU 77 3HB GLU 77 -11.256 -5.009 0.001
208 1HG GLU 77 2HG GLU 77 -12.560 -4.441 -1.743
209 2HG GLU 77 3HG GLU 77 -11.162 -3.632 -2.451
210 H GLY 78 H GLY 78 -6.937 -4.549 -0.710
211 1HA GLY 78 2HA GLY 78 -6.205 -5.819 -2.987
212 2HA GLY 78 3HA GLY 78 -6.527 -4.200 -3.607
213 H ARG 79 H ARG 79 -3.952 -5.290 -3.743
214 HA ARG 79 HA ARG 79 -2.252 -4.589 -1.535
215 1HB ARG 79 2HB ARG 79 -1.635 -6.127 -3.344
216 2HB ARG 79 3HB ARG 79 -1.758 -4.819 -4.522
217 1HG ARG 79 2HG ARG 79 -0.044 -3.915 -2.440
218 2HG ARG 79 3HG ARG 79 0.489 -5.535 -2.889
219 1HD ARG 79 2HD ARG 79 0.127 -3.154 -4.742
220 2HD ARG 79 3HD ARG 79 1.639 -4.006 -4.363
221 HE ARG 79 HE ARG 79 0.104 -6.049 -5.292
222 1HH1 ARG 79 1HH1 ARG 79 2.062 -3.923 -6.762
223 2HH1 ARG 79 2HH1 ARG 79 1.236 -3.860 -8.284
224 1HH2 ARG 79 1HH2 ARG 79 -1.581 -5.517 -7.124
225 2HH2 ARG 79 2HH2 ARG 79 -0.827 -4.762 -8.488
226 H ASN 80 H ASN 80 -4.022 -2.623 -3.657
227 HA ASN 80 HA ASN 80 -2.370 -0.253 -2.888
228 1HB ASN 80 2HB ASN 80 -3.467 -0.897 -5.645
229 2HB ASN 80 3HB ASN 80 -2.540 0.541 -5.215
230 1HD2 ASN 80 1HD2 ASN 80 0.557 -1.325 -4.840
231 2HD2 ASN 80 2HD2 ASN 80 -0.300 -0.032 -4.128
232 H CYS 81 H CYS 81 -5.122 -1.519 -2.201
233 HA CYS 81 HA CYS 81 -7.304 -0.718 -1.752
234 1HB CYS 81 2HB CYS 81 -6.002 1.990 -2.130
235 2HB CYS 81 3HB CYS 81 -7.334 1.573 -1.053
236 H GLU 82 H GLU 82 -6.159 -0.880 -4.658
237 HA GLU 82 HA GLU 82 -7.376 1.118 -6.276
238 1HB GLU 82 2HB GLU 82 -5.788 -0.267 -7.298
239 2HB GLU 82 3HB GLU 82 -6.470 -1.733 -6.589
240 1HG GLU 82 2HG GLU 82 -8.393 -0.365 -8.306
241 2HG GLU 82 3HG GLU 82 -6.921 -0.790 -9.179
242 H THR 83 H THR 83 -8.679 -1.910 -4.935
243 HA THR 83 HA THR 83 -11.256 -1.540 -6.329
244 HB THR 83 HB THR 83 -10.469 -3.530 -4.183
245 HG1 THR 83 HG1 THR 83 -10.174 -4.729 -6.379
246 1HG2 THR 83 1HG2 THR 83 -12.717 -3.178 -6.069
247 2HG2 THR 83 2HG2 THR 83 -12.063 -4.813 -5.982
248 3HG2 THR 83 3HG2 THR 83 -12.665 -4.025 -4.523
249 H HIS 84 H HIS 84 -11.474 0.661 -5.142
250 HA HIS 84 HA HIS 84 -11.968 0.729 -2.300
251 1HB HIS 84 2HB HIS 84 -11.367 2.721 -3.506
252 2HB HIS 84 3HB HIS 84 -12.690 2.499 -4.651
253 HD1 HIS 84 HD1 HIS 84 -13.739 4.804 -4.003
254 HD2 HIS 84 HD2 HIS 84 -13.486 2.106 -0.835
255 HE1 HIS 84 HE1 HIS 84 -15.178 5.746 -2.143
256 H LYS 85 H LYS 85 -13.601 -0.571 -1.490
257 HA LYS 85 HA LYS 85 -15.848 -1.637 -2.683
258 1HB LYS 85 2HB LYS 85 -15.649 -0.368 0.070
259 2HB LYS 85 3HB LYS 85 -16.808 -1.615 -0.406
260 1HG LYS 85 2HG LYS 85 -14.755 -3.024 -1.066
261 2HG LYS 85 3HG LYS 85 -13.809 -1.856 -0.142
262 1HD LYS 85 2HD LYS 85 -14.978 -2.362 1.879
263 2HD LYS 85 3HD LYS 85 -16.218 -3.271 1.014
264 1HE LYS 85 2HE LYS 85 -14.220 -4.778 0.232
265 2HE LYS 85 3HE LYS 85 -13.380 -4.072 1.628
266 1HZ LYS 85 1HZ LYS 85 -16.135 -4.889 2.067
267 2HZ LYS 85 2HZ LYS 85 -15.026 -6.155 1.831
268 3HZ LYS 85 3HZ LYS 85 -14.787 -5.035 3.086
No H/Q in entry = 268
Start of MODEL 6
1 1H SER 45 2H SER 45 20.937 3.621 -3.504
2 2H SER 45 1H SER 45 20.347 2.789 -2.146
3 3H SER 45 3H SER 45 20.800 1.928 -3.535
4 HA SER 45 HA SER 45 18.981 2.850 -4.790
5 1HB SER 45 2HB SER 45 18.491 1.652 -2.064
6 2HB SER 45 3HB SER 45 17.157 1.941 -3.177
7 HG SER 45 HG SER 45 18.289 -0.182 -3.254
8 H ASP 46 H ASP 46 17.969 4.784 -5.149
9 HA ASP 46 HA ASP 46 18.061 7.092 -3.640
10 1HB ASP 46 2HB ASP 46 16.360 5.925 -5.725
11 2HB ASP 46 3HB ASP 46 15.521 7.142 -4.763
12 H GLY 47 H GLY 47 15.307 4.788 -3.534
13 1HA GLY 47 2HA GLY 47 14.956 5.470 -0.660
14 2HA GLY 47 3HA GLY 47 13.573 5.639 -1.742
15 H ASP 48 H ASP 48 12.294 3.868 -1.947
16 HA ASP 48 HA ASP 48 13.265 1.176 -2.174
17 1HB ASP 48 2HB ASP 48 13.887 1.616 0.171
18 2HB ASP 48 3HB ASP 48 12.220 2.056 0.538
19 H GLN 49 H GLN 49 10.545 1.497 -0.053
20 HA GLN 49 HA GLN 49 8.669 1.336 -2.379
21 1HB GLN 49 2HB GLN 49 8.395 -0.218 0.177
22 2HB GLN 49 3HB GLN 49 7.603 -0.523 -1.359
23 1HG GLN 49 2HG GLN 49 10.529 -0.914 -0.686
24 2HG GLN 49 3HG GLN 49 9.358 -2.155 -1.134
25 1HE2 GLN 49 1HE2 GLN 49 9.272 -0.307 -4.503
26 2HE2 GLN 49 2HE2 GLN 49 8.174 -0.254 -3.205
27 H CYS 50 H CYS 50 8.614 1.540 1.186
28 HA CYS 50 HA CYS 50 6.202 3.208 1.158
29 1HB CYS 50 2HB CYS 50 8.066 1.985 3.171
30 2HB CYS 50 3HB CYS 50 6.933 3.229 3.698
31 H ALA 51 H ALA 51 8.397 4.478 -0.245
32 HA ALA 51 HA ALA 51 9.352 6.574 1.642
33 1HB ALA 51 1HB ALA 51 10.060 5.711 -1.173
34 2HB ALA 51 2HB ALA 51 10.750 7.150 -0.422
35 3HB ALA 51 3HB ALA 51 11.047 5.559 0.280
36 H SER 52 H SER 52 7.278 6.080 -1.168
37 HA SER 52 HA SER 52 6.549 8.992 -1.080
38 1HB SER 52 2HB SER 52 5.994 8.633 -3.496
39 2HB SER 52 3HB SER 52 7.690 8.321 -3.135
40 HG SER 52 HG SER 52 7.378 6.356 -3.778
41 H SER 53 H SER 53 5.462 6.160 0.036
42 HA SER 53 HA SER 53 3.319 5.340 0.601
43 1HB SER 53 2HB SER 53 2.728 7.348 1.574
44 2HB SER 53 3HB SER 53 3.074 8.273 0.115
45 HG SER 53 HG SER 53 1.007 8.187 -0.218
46 HA PRO 54 HA PRO 54 2.402 4.774 -3.914
47 1HB PRO 54 2HB PRO 54 2.698 2.044 -3.888
48 2HB PRO 54 3HB PRO 54 4.037 3.167 -4.203
49 1HG PRO 54 2HG PRO 54 3.363 1.670 -1.733
50 2HG PRO 54 3HG PRO 54 4.943 2.107 -2.396
51 1HD PRO 54 2HD PRO 54 3.728 3.401 -0.298
52 2HD PRO 54 3HD PRO 54 4.961 4.129 -1.350
53 H CYS 55 H CYS 55 1.056 4.044 -0.948
54 HA CYS 55 HA CYS 55 -1.142 2.327 -1.907
55 1HB CYS 55 2HB CYS 55 -0.955 3.768 0.744
56 2HB CYS 55 3HB CYS 55 -1.701 2.205 0.395
57 H GLN 56 H GLN 56 -3.440 3.084 -1.472
58 HA GLN 56 HA GLN 56 -3.749 6.036 -1.810
59 1HB GLN 56 2HB GLN 56 -5.005 3.780 -3.399
60 2HB GLN 56 3HB GLN 56 -5.482 5.473 -3.542
61 1HG GLN 56 2HG GLN 56 -3.302 6.109 -4.319
62 2HG GLN 56 3HG GLN 56 -2.638 4.520 -3.934
63 1HE2 GLN 56 1HE2 GLN 56 -4.547 2.985 -6.713
64 2HE2 GLN 56 2HE2 GLN 56 -4.349 2.718 -5.039
65 H ASN 57 H ASN 57 -6.177 6.609 -1.546
66 HA ASN 57 HA ASN 57 -8.064 6.658 -0.125
67 1HB ASN 57 2HB ASN 57 -7.497 3.697 -0.419
68 2HB ASN 57 3HB ASN 57 -8.961 4.328 0.334
69 1HD2 ASN 57 1HD2 ASN 57 -8.882 4.038 -3.634
70 2HD2 ASN 57 2HD2 ASN 57 -7.832 3.199 -2.584
71 H GLY 58 H GLY 58 -5.546 7.070 1.170
72 1HA GLY 58 2HA GLY 58 -4.594 7.073 3.314
73 2HA GLY 58 3HA GLY 58 -6.232 6.778 3.894
74 H GLY 59 H GLY 59 -4.624 4.535 1.725
75 1HA GLY 59 2HA GLY 59 -4.952 2.400 3.706
76 2HA GLY 59 3HA GLY 59 -4.322 2.203 2.064
77 H SER 60 H SER 60 -3.206 1.202 4.643
78 HA SER 60 HA SER 60 -0.810 2.794 5.188
79 1HB SER 60 2HB SER 60 -2.285 0.575 6.281
80 2HB SER 60 3HB SER 60 -0.589 0.122 6.137
81 HG SER 60 HG SER 60 -0.689 1.171 8.037
82 H CYS 61 H CYS 61 1.403 1.707 4.955
83 HA CYS 61 HA CYS 61 1.510 0.103 2.425
84 1HB CYS 61 2HB CYS 61 3.244 1.497 1.668
85 2HB CYS 61 3HB CYS 61 2.185 2.631 2.500
86 H LYS 62 H LYS 62 2.609 -1.813 2.615
87 HA LYS 62 HA LYS 62 4.124 -2.299 5.147
88 1HB LYS 62 2HB LYS 62 2.214 -3.773 4.479
89 2HB LYS 62 3HB LYS 62 3.114 -4.216 3.029
90 1HG LYS 62 2HG LYS 62 5.026 -4.835 4.687
91 2HG LYS 62 3HG LYS 62 3.740 -4.865 5.896
92 1HD LYS 62 2HD LYS 62 2.556 -6.300 3.930
93 2HD LYS 62 3HD LYS 62 4.245 -6.705 3.623
94 1HE LYS 62 2HE LYS 62 4.541 -7.535 5.871
95 2HE LYS 62 3HE LYS 62 2.953 -6.915 6.363
96 1HZ LYS 62 1HZ LYS 62 3.186 -8.726 4.051
97 2HZ LYS 62 2HZ LYS 62 3.147 -9.368 5.624
98 3HZ LYS 62 3HZ LYS 62 1.846 -8.439 5.050
99 H ASP 63 H ASP 63 6.298 -2.833 5.079
100 HA ASP 63 HA ASP 63 7.620 -2.729 2.391
101 1HB ASP 63 2HB ASP 63 9.547 -1.870 3.657
102 2HB ASP 63 3HB ASP 63 8.110 -0.916 4.028
103 H GLN 64 H GLN 64 8.008 -4.831 1.767
104 HA GLN 64 HA GLN 64 8.958 -6.769 3.840
105 1HB GLN 64 2HB GLN 64 8.414 -8.000 1.300
106 2HB GLN 64 3HB GLN 64 7.551 -8.212 2.818
107 1HG GLN 64 2HG GLN 64 6.194 -6.187 2.301
108 2HG GLN 64 3HG GLN 64 7.025 -6.053 0.751
109 1HE2 GLN 64 1HE2 GLN 64 4.228 -9.006 1.284
110 2HE2 GLN 64 2HE2 GLN 64 4.847 -8.172 2.637
111 H LEU 65 H LEU 65 10.256 -8.587 2.167
112 HA LEU 65 HA LEU 65 12.709 -7.055 1.500
113 1HB LEU 65 2HB LEU 65 12.508 -9.138 3.020
114 2HB LEU 65 3HB LEU 65 12.326 -10.046 1.518
115 HG LEU 65 HG LEU 65 14.578 -8.116 1.592
116 1HD1 LEU 65 3HD1 LEU 65 14.573 -9.163 3.884
117 2HD1 LEU 65 1HD1 LEU 65 14.720 -10.739 3.106
118 3HD1 LEU 65 2HD1 LEU 65 16.005 -9.544 2.927
119 1HD2 LEU 65 3HD2 LEU 65 14.089 -10.939 0.615
120 2HD2 LEU 65 1HD2 LEU 65 14.335 -9.485 -0.353
121 3HD2 LEU 65 2HD2 LEU 65 15.680 -10.179 0.552
122 H GLN 66 H GLN 66 10.077 -8.583 -0.056
123 HA GLN 66 HA GLN 66 11.590 -8.848 -2.623
124 1HB GLN 66 2HB GLN 66 8.821 -9.802 -1.820
125 2HB GLN 66 3HB GLN 66 9.710 -10.273 -3.268
126 1HG GLN 66 2HG GLN 66 10.894 -10.704 -0.531
127 2HG GLN 66 3HG GLN 66 9.771 -11.876 -1.223
128 1HE2 GLN 66 1HE2 GLN 66 13.538 -12.214 -2.296
129 2HE2 GLN 66 2HE2 GLN 66 12.964 -11.562 -0.837
130 H SER 67 H SER 67 9.099 -7.023 -1.007
131 HA SER 67 HA SER 67 9.058 -4.943 -2.989
132 1HB SER 67 2HB SER 67 7.903 -6.982 -4.086
133 2HB SER 67 3HB SER 67 6.581 -6.680 -2.963
134 HG SER 67 HG SER 67 6.717 -5.597 -5.201
135 H TYR 68 H TYR 68 5.953 -4.840 -2.368
136 HA TYR 68 HA TYR 68 5.921 -4.364 0.528
137 1HB TYR 68 2HB TYR 68 5.447 -1.916 0.205
138 2HB TYR 68 3HB TYR 68 7.082 -2.381 -0.274
139 HD1 TYR 68 HD1 TYR 68 7.703 -2.549 -2.647
140 HD2 TYR 68 HD2 TYR 68 3.786 -1.261 -1.444
141 HE1 TYR 68 HE1 TYR 68 7.282 -1.691 -4.937
142 HE2 TYR 68 HE2 TYR 68 3.366 -0.399 -3.732
143 HH TYR 68 HH TYR 68 4.132 -0.635 -5.952
144 H ILE 69 H ILE 69 3.769 -4.175 1.295
145 HA ILE 69 HA ILE 69 1.613 -4.241 -0.786
146 HB ILE 69 HB ILE 69 2.351 -6.167 1.380
147 1HG1 ILE 69 2HG1 ILE 69 0.815 -7.008 -0.983
148 2HG1 ILE 69 3HG1 ILE 69 2.330 -6.190 -1.370
149 1HG2 ILE 69 1HG2 ILE 69 -0.386 -5.181 0.876
150 2HG2 ILE 69 2HG2 ILE 69 -0.216 -6.933 0.798
151 3HG2 ILE 69 3HG2 ILE 69 0.254 -6.067 2.259
152 1HD1 ILE 69 1HD1 ILE 69 2.245 -8.358 0.720
153 2HD1 ILE 69 2HD1 ILE 69 2.391 -8.763 -0.990
154 3HD1 ILE 69 3HD1 ILE 69 3.627 -7.776 -0.209
155 H CYS 70 H CYS 70 0.204 -2.609 -0.374
156 HA CYS 70 HA CYS 70 0.208 -1.203 2.187
157 1HB CYS 70 2HB CYS 70 -1.512 -0.981 -0.290
158 2HB CYS 70 3HB CYS 70 -1.438 0.205 1.011
159 H PHE 71 H PHE 71 -1.299 -1.398 3.820
160 HA PHE 71 HA PHE 71 -3.374 -3.520 3.525
161 1HB PHE 71 2HB PHE 71 -2.207 -2.023 5.898
162 2HB PHE 71 3HB PHE 71 -3.421 -3.301 6.020
163 HD1 PHE 71 HD1 PHE 71 -2.427 -5.106 3.817
164 HD2 PHE 71 HD2 PHE 71 -0.339 -3.054 6.960
165 HE1 PHE 71 HE1 PHE 71 -0.634 -6.818 3.742
166 HE2 PHE 71 HE2 PHE 71 1.453 -4.767 6.886
167 HZ PHE 71 HZ PHE 71 1.305 -6.647 5.278
168 H CYS 72 H CYS 72 -4.799 -2.113 2.231
169 HA CYS 72 HA CYS 72 -5.719 0.461 2.965
170 1HB CYS 72 2HB CYS 72 -7.290 -1.790 1.675
171 2HB CYS 72 3HB CYS 72 -7.562 -0.058 1.464
172 H LEU 73 H LEU 73 -8.310 0.602 3.469
173 HA LEU 73 HA LEU 73 -8.598 -0.576 6.180
174 1HB LEU 73 2HB LEU 73 -10.423 1.385 4.776
175 2HB LEU 73 3HB LEU 73 -10.151 1.201 6.508
176 HG LEU 73 HG LEU 73 -8.027 2.110 4.544
177 1HD1 LEU 73 1HD1 LEU 73 -9.736 3.718 6.471
178 2HD1 LEU 73 2HD1 LEU 73 -8.384 4.355 5.534
179 3HD1 LEU 73 3HD1 LEU 73 -9.832 3.776 4.711
180 1HD2 LEU 73 1HD2 LEU 73 -7.457 0.950 6.807
181 2HD2 LEU 73 2HD2 LEU 73 -6.665 2.482 6.434
182 3HD2 LEU 73 3HD2 LEU 73 -8.036 2.445 7.543
183 HA PRO 74 HA PRO 74 -11.895 -3.331 5.296
184 1HB PRO 74 2HB PRO 74 -13.995 -1.723 6.611
185 2HB PRO 74 3HB PRO 74 -13.360 -3.321 7.056
186 1HG PRO 74 2HG PRO 74 -12.834 -1.096 8.481
187 2HG PRO 74 3HG PRO 74 -11.700 -2.449 8.354
188 1HD PRO 74 2HD PRO 74 -11.627 0.208 7.021
189 2HD PRO 74 3HD PRO 74 -10.288 -0.818 7.585
190 H ALA 75 H ALA 75 -12.149 -0.085 4.292
191 HA ALA 75 HA ALA 75 -14.632 -0.368 2.756
192 1HB ALA 75 1HB ALA 75 -12.461 1.687 3.131
193 2HB ALA 75 2HB ALA 75 -13.673 1.895 1.866
194 3HB ALA 75 3HB ALA 75 -14.169 1.800 3.556
195 H PHE 76 H PHE 76 -11.143 -0.492 2.117
196 HA PHE 76 HA PHE 76 -11.743 -1.188 -0.730
197 1HB PHE 76 2HB PHE 76 -9.095 -0.294 0.423
198 2HB PHE 76 3HB PHE 76 -9.634 -0.215 -1.257
199 HD1 PHE 76 HD1 PHE 76 -10.261 1.159 2.153
200 HD2 PHE 76 HD2 PHE 76 -10.822 1.670 -2.074
201 HE1 PHE 76 HE1 PHE 76 -11.148 3.441 2.548
202 HE2 PHE 76 HE2 PHE 76 -11.711 3.953 -1.679
203 HZ PHE 76 HZ PHE 76 -11.872 4.837 0.631
204 H GLU 77 H GLU 77 -9.490 -2.490 -1.478
205 HA GLU 77 HA GLU 77 -8.685 -4.507 0.504
206 1HB GLU 77 2HB GLU 77 -11.081 -4.850 -0.829
207 2HB GLU 77 3HB GLU 77 -9.955 -5.769 -1.831
208 1HG GLU 77 2HG GLU 77 -9.200 -6.468 0.738
209 2HG GLU 77 3HG GLU 77 -10.956 -6.355 0.861
210 H GLY 78 H GLY 78 -8.777 -3.477 -2.896
211 1HA GLY 78 2HA GLY 78 -6.863 -5.076 -4.085
212 2HA GLY 78 3HA GLY 78 -6.991 -3.352 -4.435
213 H ARG 79 H ARG 79 -4.504 -4.703 -4.435
214 HA ARG 79 HA ARG 79 -3.041 -4.557 -1.994
215 1HB ARG 79 2HB ARG 79 -2.387 -5.667 -4.150
216 2HB ARG 79 3HB ARG 79 -2.093 -4.069 -4.836
217 1HG ARG 79 2HG ARG 79 -0.718 -4.067 -2.389
218 2HG ARG 79 3HG ARG 79 -0.392 -5.651 -3.096
219 1HD ARG 79 2HD ARG 79 -0.127 -3.089 -4.697
220 2HD ARG 79 3HD ARG 79 1.227 -3.799 -3.796
221 HE ARG 79 HE ARG 79 -0.246 -5.201 -5.992
222 1HH1 ARG 79 1HH1 ARG 79 2.723 -4.099 -4.887
223 2HH1 ARG 79 2HH1 ARG 79 3.596 -5.552 -5.245
224 1HH2 ARG 79 1HH2 ARG 79 0.755 -7.376 -6.039
225 2HH2 ARG 79 2HH2 ARG 79 2.481 -7.407 -5.897
226 H ASN 80 H ASN 80 -4.206 -2.065 -4.107
227 HA ASN 80 HA ASN 80 -2.609 -0.036 -2.576
228 1HB ASN 80 2HB ASN 80 -2.616 -0.673 -5.327
229 2HB ASN 80 3HB ASN 80 -3.506 0.843 -5.186
230 1HD2 ASN 80 1HD2 ASN 80 0.251 0.985 -3.524
231 2HD2 ASN 80 2HD2 ASN 80 -0.785 -0.316 -3.145
232 H CYS 81 H CYS 81 -5.452 -1.224 -2.324
233 HA CYS 81 HA CYS 81 -7.551 -0.354 -1.660
234 1HB CYS 81 2HB CYS 81 -6.276 2.371 -1.961
235 2HB CYS 81 3HB CYS 81 -7.522 1.870 -0.821
236 H GLU 82 H GLU 82 -6.282 -0.187 -4.610
237 HA GLU 82 HA GLU 82 -7.866 1.824 -5.958
238 1HB GLU 82 2HB GLU 82 -5.895 1.120 -7.030
239 2HB GLU 82 3HB GLU 82 -6.216 -0.586 -6.703
240 1HG GLU 82 2HG GLU 82 -8.146 -0.489 -8.280
241 2HG GLU 82 3HG GLU 82 -7.726 1.183 -8.654
242 H THR 83 H THR 83 -8.612 -1.303 -4.703
243 HA THR 83 HA THR 83 -10.972 -1.577 -6.516
244 HB THR 83 HB THR 83 -9.624 -3.458 -4.551
245 HG1 THR 83 HG1 THR 83 -9.197 -4.517 -6.653
246 1HG2 THR 83 1HG2 THR 83 -12.229 -3.531 -5.803
247 2HG2 THR 83 2HG2 THR 83 -11.236 -4.872 -6.374
248 3HG2 THR 83 3HG2 THR 83 -11.522 -4.659 -4.646
249 H HIS 84 H HIS 84 -11.702 0.420 -5.065
250 HA HIS 84 HA HIS 84 -12.427 0.242 -2.370
251 1HB HIS 84 2HB HIS 84 -12.636 2.193 -3.941
252 2HB HIS 84 3HB HIS 84 -14.061 1.424 -4.640
253 HD1 HIS 84 HD1 HIS 84 -15.277 3.677 -3.688
254 HD2 HIS 84 HD2 HIS 84 -13.956 0.939 -0.836
255 HE1 HIS 84 HE1 HIS 84 -16.483 4.248 -1.535
256 H LYS 85 H LYS 85 -13.396 -1.581 -1.513
257 HA LYS 85 HA LYS 85 -14.978 -3.526 -2.657
258 1HB LYS 85 2HB LYS 85 -15.254 -2.152 0.036
259 2HB LYS 85 3HB LYS 85 -15.997 -3.706 -0.360
260 1HG LYS 85 2HG LYS 85 -13.880 -4.760 -0.651
261 2HG LYS 85 3HG LYS 85 -13.030 -3.214 -0.671
262 1HD LYS 85 2HD LYS 85 -12.633 -3.739 1.523
263 2HD LYS 85 3HD LYS 85 -14.234 -3.032 1.743
264 1HE LYS 85 2HE LYS 85 -13.670 -5.991 1.322
265 2HE LYS 85 3HE LYS 85 -14.120 -5.233 2.861
266 1HZ LYS 85 3HZ LYS 85 -16.065 -4.268 1.559
267 2HZ LYS 85 1HZ LYS 85 -15.718 -5.442 0.382
268 3HZ LYS 85 2HZ LYS 85 -16.145 -5.919 1.953
No H/Q in entry = 268
Start of MODEL 7
1 1H SER 45 1H SER 45 17.235 -1.923 -5.887
2 2H SER 45 3H SER 45 17.897 -2.786 -4.586
3 3H SER 45 2H SER 45 18.205 -3.287 -6.180
4 HA SER 45 HA SER 45 16.549 -4.758 -5.743
5 1HB SER 45 2HB SER 45 14.816 -4.119 -3.991
6 2HB SER 45 3HB SER 45 16.478 -4.165 -3.410
7 HG SER 45 HG SER 45 14.758 -2.023 -3.787
8 H ASP 46 H ASP 46 15.148 -1.456 -5.559
9 HA ASP 46 HA ASP 46 13.968 -1.713 -8.232
10 1HB ASP 46 2HB ASP 46 12.617 -3.064 -6.422
11 2HB ASP 46 3HB ASP 46 12.036 -1.471 -5.938
12 H GLY 47 H GLY 47 13.937 0.002 -5.105
13 1HA GLY 47 2HA GLY 47 14.798 2.442 -5.543
14 2HA GLY 47 3HA GLY 47 13.351 2.541 -6.548
15 H ASP 48 H ASP 48 13.650 0.841 -3.448
16 HA ASP 48 HA ASP 48 12.488 1.128 -1.437
17 1HB ASP 48 2HB ASP 48 12.944 3.863 -2.545
18 2HB ASP 48 3HB ASP 48 11.891 3.685 -1.140
19 H GLN 49 H GLN 49 10.510 0.335 -1.317
20 HA GLN 49 HA GLN 49 8.399 0.877 -3.226
21 1HB GLN 49 2HB GLN 49 8.274 -0.422 -0.509
22 2HB GLN 49 3HB GLN 49 7.151 -0.670 -1.839
23 1HG GLN 49 2HG GLN 49 10.089 -1.422 -1.795
24 2HG GLN 49 3HG GLN 49 8.722 -2.536 -1.757
25 1HE2 GLN 49 1HE2 GLN 49 7.938 -1.016 -5.218
26 2HE2 GLN 49 2HE2 GLN 49 7.255 -0.644 -3.704
27 H CYS 50 H CYS 50 8.568 1.482 0.302
28 HA CYS 50 HA CYS 50 6.328 3.369 0.177
29 1HB CYS 50 2HB CYS 50 7.335 1.682 2.040
30 2HB CYS 50 3HB CYS 50 8.115 3.179 2.549
31 H ALA 51 H ALA 51 7.620 4.763 -1.470
32 HA ALA 51 HA ALA 51 9.673 6.482 -0.157
33 1HB ALA 51 3HB ALA 51 9.362 5.313 -2.680
34 2HB ALA 51 1HB ALA 51 9.011 7.020 -2.948
35 3HB ALA 51 2HB ALA 51 10.554 6.537 -2.243
36 H SER 52 H SER 52 6.583 6.724 -1.944
37 HA SER 52 HA SER 52 6.131 9.368 -0.609
38 1HB SER 52 2HB SER 52 6.583 8.753 -3.390
39 2HB SER 52 3HB SER 52 4.950 9.385 -3.192
40 HG SER 52 HG SER 52 5.780 11.270 -2.801
41 H SER 53 H SER 53 5.028 7.006 0.379
42 HA SER 53 HA SER 53 2.938 6.079 0.979
43 1HB SER 53 2HB SER 53 1.930 8.588 -0.396
44 2HB SER 53 3HB SER 53 1.081 7.648 0.829
45 HG SER 53 HG SER 53 3.597 8.921 1.191
46 HA PRO 54 HA PRO 54 2.393 4.618 -3.380
47 1HB PRO 54 2HB PRO 54 2.881 1.976 -2.821
48 2HB PRO 54 3HB PRO 54 4.158 3.133 -3.249
49 1HG PRO 54 2HG PRO 54 3.393 2.054 -0.595
50 2HG PRO 54 3HG PRO 54 4.987 2.502 -1.218
51 1HD PRO 54 2HD PRO 54 3.495 4.037 0.512
52 2HD PRO 54 3HD PRO 54 4.769 4.667 -0.555
53 H CYS 55 H CYS 55 0.862 4.351 -0.432
54 HA CYS 55 HA CYS 55 -1.245 2.484 -1.446
55 1HB CYS 55 2HB CYS 55 -0.985 3.589 1.354
56 2HB CYS 55 3HB CYS 55 -1.724 2.072 0.837
57 H GLN 56 H GLN 56 -3.530 3.161 -0.922
58 HA GLN 56 HA GLN 56 -3.900 6.108 -0.703
59 1HB GLN 56 2HB GLN 56 -5.033 4.284 -2.846
60 2HB GLN 56 3HB GLN 56 -5.433 5.991 -2.656
61 1HG GLN 56 2HG GLN 56 -3.161 6.651 -3.098
62 2HG GLN 56 3HG GLN 56 -2.612 4.974 -3.062
63 1HE2 GLN 56 1HE2 GLN 56 -4.264 4.235 -6.259
64 2HE2 GLN 56 2HE2 GLN 56 -4.125 3.549 -4.704
65 H ASN 57 H ASN 57 -6.515 6.391 -0.832
66 HA ASN 57 HA ASN 57 -8.517 6.071 0.386
67 1HB ASN 57 2HB ASN 57 -7.783 3.142 0.306
68 2HB ASN 57 3HB ASN 57 -9.378 3.876 0.151
69 1HD2 ASN 57 1HD2 ASN 57 -8.894 4.748 -3.317
70 2HD2 ASN 57 2HD2 ASN 57 -9.710 5.238 -1.901
71 H GLY 58 H GLY 58 -6.168 6.596 1.962
72 1HA GLY 58 2HA GLY 58 -5.467 6.510 4.198
73 2HA GLY 58 3HA GLY 58 -7.082 5.901 4.562
74 H GLY 59 H GLY 59 -4.828 4.274 2.387
75 1HA GLY 59 2HA GLY 59 -4.971 1.894 4.139
76 2HA GLY 59 3HA GLY 59 -4.336 1.926 2.489
77 H SER 60 H SER 60 -3.075 0.876 4.979
78 HA SER 60 HA SER 60 -0.911 2.723 5.662
79 1HB SER 60 2HB SER 60 -2.094 0.295 6.604
80 2HB SER 60 3HB SER 60 -0.373 -0.001 6.366
81 HG SER 60 HG SER 60 -0.278 2.226 7.478
82 H CYS 61 H CYS 61 1.428 1.782 5.450
83 HA CYS 61 HA CYS 61 1.759 0.539 2.738
84 1HB CYS 61 2HB CYS 61 2.247 2.900 2.615
85 2HB CYS 61 3HB CYS 61 3.209 2.831 4.091
86 H LYS 62 H LYS 62 2.384 -1.543 3.359
87 HA LYS 62 HA LYS 62 4.276 -1.942 5.590
88 1HB LYS 62 2HB LYS 62 2.289 -3.412 4.991
89 2HB LYS 62 3HB LYS 62 3.199 -3.926 3.570
90 1HG LYS 62 2HG LYS 62 4.364 -5.394 4.807
91 2HG LYS 62 3HG LYS 62 4.903 -4.097 5.874
92 1HD LYS 62 2HD LYS 62 2.521 -4.293 6.921
93 2HD LYS 62 3HD LYS 62 2.489 -5.876 6.141
94 1HE LYS 62 2HE LYS 62 5.032 -5.547 7.454
95 2HE LYS 62 3HE LYS 62 3.726 -5.213 8.610
96 1HZ LYS 62 1HZ LYS 62 3.534 -7.488 6.739
97 2HZ LYS 62 2HZ LYS 62 4.387 -7.652 8.199
98 3HZ LYS 62 3HZ LYS 62 2.738 -7.257 8.221
99 H ASP 63 H ASP 63 6.449 -2.509 5.330
100 HA ASP 63 HA ASP 63 7.513 -2.391 2.528
101 1HB ASP 63 2HB ASP 63 8.034 -0.596 4.310
102 2HB ASP 63 3HB ASP 63 9.021 -1.835 5.087
103 H GLN 64 H GLN 64 7.961 -4.467 1.877
104 HA GLN 64 HA GLN 64 9.076 -6.376 3.896
105 1HB GLN 64 2HB GLN 64 8.452 -7.623 1.384
106 2HB GLN 64 3HB GLN 64 7.669 -7.862 2.940
107 1HG GLN 64 2HG GLN 64 6.224 -5.883 2.490
108 2HG GLN 64 3HG GLN 64 6.976 -5.723 0.903
109 1HE2 GLN 64 1HE2 GLN 64 4.388 -8.846 1.574
110 2HE2 GLN 64 2HE2 GLN 64 5.101 -8.047 2.902
111 H LEU 65 H LEU 65 10.546 -8.096 2.531
112 HA LEU 65 HA LEU 65 12.826 -6.496 1.588
113 1HB LEU 65 2HB LEU 65 12.293 -9.420 2.143
114 2HB LEU 65 3HB LEU 65 13.846 -8.844 1.534
115 HG LEU 65 HG LEU 65 13.521 -7.113 3.571
116 1HD1 LEU 65 1HD1 LEU 65 11.811 -9.502 4.152
117 2HD1 LEU 65 2HD1 LEU 65 12.731 -8.786 5.475
118 3HD1 LEU 65 3HD1 LEU 65 11.558 -7.812 4.589
119 1HD2 LEU 65 1HD2 LEU 65 15.411 -8.737 3.091
120 2HD2 LEU 65 2HD2 LEU 65 15.079 -8.477 4.803
121 3HD2 LEU 65 3HD2 LEU 65 14.509 -9.944 4.007
122 H GLN 66 H GLN 66 10.212 -8.201 0.183
123 HA GLN 66 HA GLN 66 11.628 -8.483 -2.433
124 1HB GLN 66 2HB GLN 66 8.867 -9.433 -1.623
125 2HB GLN 66 3HB GLN 66 9.861 -10.028 -2.954
126 1HG GLN 66 2HG GLN 66 11.558 -10.791 -1.275
127 2HG GLN 66 3HG GLN 66 10.440 -10.323 0.007
128 1HE2 GLN 66 1HE2 GLN 66 9.601 -13.635 -2.273
129 2HE2 GLN 66 2HE2 GLN 66 10.723 -12.494 -2.838
130 H SER 67 H SER 67 8.876 -6.914 -0.864
131 HA SER 67 HA SER 67 8.820 -4.795 -2.875
132 1HB SER 67 2HB SER 67 6.607 -6.866 -2.692
133 2HB SER 67 3HB SER 67 6.499 -5.376 -3.624
134 HG SER 67 HG SER 67 7.895 -7.710 -4.121
135 H TYR 68 H TYR 68 5.716 -4.870 -1.997
136 HA TYR 68 HA TYR 68 5.923 -4.177 0.846
137 1HB TYR 68 2HB TYR 68 5.324 -1.808 0.473
138 2HB TYR 68 3HB TYR 68 6.851 -2.204 -0.321
139 HD1 TYR 68 HD1 TYR 68 6.729 -2.921 -2.815
140 HD2 TYR 68 HD2 TYR 68 3.555 -0.881 -0.761
141 HE1 TYR 68 HE1 TYR 68 5.779 -2.207 -4.993
142 HE2 TYR 68 HE2 TYR 68 2.607 -0.164 -2.938
143 HH TYR 68 HH TYR 68 4.123 -0.002 -5.638
144 H ILE 69 H ILE 69 3.806 -3.957 1.798
145 HA ILE 69 HA ILE 69 1.522 -4.469 -0.069
146 HB ILE 69 HB ILE 69 2.768 -6.309 1.606
147 1HG1 ILE 69 2HG1 ILE 69 -0.132 -6.489 0.793
148 2HG1 ILE 69 3HG1 ILE 69 1.172 -6.551 -0.393
149 1HG2 ILE 69 1HG2 ILE 69 0.254 -5.264 2.934
150 2HG2 ILE 69 2HG2 ILE 69 0.945 -6.851 3.273
151 3HG2 ILE 69 3HG2 ILE 69 1.864 -5.392 3.642
152 1HD1 ILE 69 3HD1 ILE 69 2.120 -8.339 1.387
153 2HD1 ILE 69 1HD1 ILE 69 0.391 -8.546 1.666
154 3HD1 ILE 69 2HD1 ILE 69 1.060 -8.795 0.054
155 H CYS 70 H CYS 70 0.157 -2.745 0.166
156 HA CYS 70 HA CYS 70 0.160 -1.091 2.573
157 1HB CYS 70 2HB CYS 70 -1.555 -1.166 0.081
158 2HB CYS 70 3HB CYS 70 -1.569 0.134 1.272
159 H PHE 71 H PHE 71 -1.441 -1.032 4.168
160 HA PHE 71 HA PHE 71 -3.358 -3.317 4.189
161 1HB PHE 71 2HB PHE 71 -1.995 -1.547 6.186
162 2HB PHE 71 3HB PHE 71 -3.528 -2.298 6.644
163 HD1 PHE 71 HD1 PHE 71 -0.396 -3.295 4.816
164 HD2 PHE 71 HD2 PHE 71 -3.360 -4.333 7.746
165 HE1 PHE 71 HE1 PHE 71 0.778 -5.438 5.243
166 HE2 PHE 71 HE2 PHE 71 -2.186 -6.476 8.173
167 HZ PHE 71 HZ PHE 71 -0.117 -7.028 6.921
168 H CYS 72 H CYS 72 -4.861 -2.261 2.676
169 HA CYS 72 HA CYS 72 -6.003 0.340 3.152
170 1HB CYS 72 2HB CYS 72 -7.252 -2.033 1.743
171 2HB CYS 72 3HB CYS 72 -7.519 -0.321 1.403
172 H LEU 73 H LEU 73 -8.564 0.395 3.446
173 HA LEU 73 HA LEU 73 -9.122 -0.953 6.038
174 1HB LEU 73 2HB LEU 73 -10.789 1.106 4.575
175 2HB LEU 73 3HB LEU 73 -10.724 0.794 6.309
176 HG LEU 73 HG LEU 73 -8.376 1.824 4.693
177 1HD1 LEU 73 1HD1 LEU 73 -10.400 3.291 6.412
178 2HD1 LEU 73 2HD1 LEU 73 -8.880 3.996 5.859
179 3HD1 LEU 73 3HD1 LEU 73 -10.112 3.523 4.687
180 1HD2 LEU 73 1HD2 LEU 73 -8.040 0.534 6.901
181 2HD2 LEU 73 2HD2 LEU 73 -7.306 2.135 6.797
182 3HD2 LEU 73 3HD2 LEU 73 -8.814 1.912 7.685
183 HA PRO 74 HA PRO 74 -12.254 -3.673 4.619
184 1HB PRO 74 2HB PRO 74 -14.475 -2.202 5.901
185 2HB PRO 74 3HB PRO 74 -13.868 -3.837 6.238
186 1HG PRO 74 2HG PRO 74 -13.476 -1.765 7.914
187 2HG PRO 74 3HG PRO 74 -12.327 -3.100 7.747
188 1HD PRO 74 2HD PRO 74 -12.157 -0.322 6.705
189 2HD PRO 74 3HD PRO 74 -10.863 -1.409 7.258
190 H ALA 75 H ALA 75 -12.512 -0.334 3.954
191 HA ALA 75 HA ALA 75 -14.831 -0.467 2.177
192 1HB ALA 75 1HB ALA 75 -12.656 1.558 2.767
193 2HB ALA 75 2HB ALA 75 -13.973 1.873 1.637
194 3HB ALA 75 3HB ALA 75 -14.325 1.579 3.340
195 H PHE 76 H PHE 76 -11.301 -0.526 1.829
196 HA PHE 76 HA PHE 76 -11.654 -0.997 -1.105
197 1HB PHE 76 2HB PHE 76 -9.137 -0.101 0.313
198 2HB PHE 76 3HB PHE 76 -9.555 0.091 -1.392
199 HD1 PHE 76 HD1 PHE 76 -10.512 1.158 2.054
200 HD2 PHE 76 HD2 PHE 76 -10.731 2.005 -2.151
201 HE1 PHE 76 HE1 PHE 76 -11.521 3.367 2.553
202 HE2 PHE 76 HE2 PHE 76 -11.741 4.215 -1.653
203 HZ PHE 76 HZ PHE 76 -12.135 4.896 0.700
204 H GLU 77 H GLU 77 -9.791 -2.420 -1.995
205 HA GLU 77 HA GLU 77 -8.609 -4.338 -0.105
206 1HB GLU 77 2HB GLU 77 -11.103 -4.894 -0.547
207 2HB GLU 77 3HB GLU 77 -10.567 -5.368 -2.160
208 1HG GLU 77 2HG GLU 77 -8.889 -6.897 -1.089
209 2HG GLU 77 3HG GLU 77 -9.600 -6.507 0.477
210 H GLY 78 H GLY 78 -6.673 -3.538 -1.227
211 1HA GLY 78 2HA GLY 78 -5.956 -5.160 -3.516
212 2HA GLY 78 3HA GLY 78 -6.182 -3.470 -3.968
213 H ARG 79 H ARG 79 -3.665 -4.649 -4.208
214 HA ARG 79 HA ARG 79 -1.906 -4.433 -2.003
215 1HB ARG 79 2HB ARG 79 -1.499 -5.359 -4.324
216 2HB ARG 79 3HB ARG 79 -1.350 -3.695 -4.892
217 1HG ARG 79 2HG ARG 79 0.879 -4.308 -4.450
218 2HG ARG 79 3HG ARG 79 0.405 -3.439 -2.990
219 1HD ARG 79 2HD ARG 79 1.390 -5.396 -2.115
220 2HD ARG 79 3HD ARG 79 -0.330 -5.830 -2.147
221 HE ARG 79 HE ARG 79 0.753 -6.451 -4.695
222 1HH1 ARG 79 1HH1 ARG 79 2.490 -7.189 -2.008
223 2HH1 ARG 79 2HH1 ARG 79 2.286 -8.907 -2.089
224 1HH2 ARG 79 1HH2 ARG 79 -0.155 -8.767 -4.549
225 2HH2 ARG 79 2HH2 ARG 79 0.789 -9.801 -3.528
226 H ASN 80 H ASN 80 -3.449 -1.941 -3.905
227 HA ASN 80 HA ASN 80 -1.968 0.127 -2.314
228 1HB ASN 80 2HB ASN 80 -2.864 0.350 -5.203
229 2HB ASN 80 3HB ASN 80 -1.809 1.459 -4.324
230 1HD2 ASN 80 1HD2 ASN 80 0.905 -1.056 -4.279
231 2HD2 ASN 80 2HD2 ASN 80 0.082 -0.085 -3.143
232 H CYS 81 H CYS 81 -4.724 -1.218 -2.125
233 HA CYS 81 HA CYS 81 -6.904 -0.512 -1.546
234 1HB CYS 81 2HB CYS 81 -5.629 2.238 -1.571
235 2HB CYS 81 3HB CYS 81 -7.017 1.710 -0.618
236 H GLU 82 H GLU 82 -5.602 -0.131 -4.442
237 HA GLU 82 HA GLU 82 -7.159 1.946 -5.708
238 1HB GLU 82 2HB GLU 82 -5.167 1.188 -6.761
239 2HB GLU 82 3HB GLU 82 -5.640 -0.508 -6.609
240 1HG GLU 82 2HG GLU 82 -7.486 -0.140 -8.203
241 2HG GLU 82 3HG GLU 82 -7.023 1.555 -8.353
242 H THR 83 H THR 83 -7.867 -1.320 -4.732
243 HA THR 83 HA THR 83 -10.156 -1.633 -6.557
244 HB THR 83 HB THR 83 -9.073 -3.206 -4.198
245 HG1 THR 83 HG1 THR 83 -8.547 -4.623 -6.037
246 1HG2 THR 83 1HG2 THR 83 -11.540 -3.473 -5.786
247 2HG2 THR 83 2HG2 THR 83 -10.577 -4.947 -5.686
248 3HG2 THR 83 3HG2 THR 83 -11.134 -4.156 -4.211
249 H HIS 84 H HIS 84 -11.281 0.383 -5.783
250 HA HIS 84 HA HIS 84 -12.209 0.644 -3.061
251 1HB HIS 84 2HB HIS 84 -12.066 2.549 -4.528
252 2HB HIS 84 3HB HIS 84 -13.081 1.765 -5.738
253 HD1 HIS 84 HD1 HIS 84 -15.642 1.525 -5.177
254 HD2 HIS 84 HD2 HIS 84 -13.477 3.768 -2.409
255 HE1 HIS 84 HE1 HIS 84 -17.345 2.740 -3.748
256 H LYS 85 H LYS 85 -13.517 -0.937 -2.190
257 HA LYS 85 HA LYS 85 -15.248 -2.661 -3.703
258 1HB LYS 85 2HB LYS 85 -15.301 -1.862 -0.773
259 2HB LYS 85 3HB LYS 85 -16.012 -3.326 -1.464
260 1HG LYS 85 2HG LYS 85 -13.930 -4.296 -1.888
261 2HG LYS 85 3HG LYS 85 -13.097 -2.742 -1.904
262 1HD LYS 85 2HD LYS 85 -12.460 -3.341 0.202
263 2HD LYS 85 3HD LYS 85 -14.067 -2.764 0.642
264 1HE LYS 85 2HE LYS 85 -14.979 -5.000 0.565
265 2HE LYS 85 3HE LYS 85 -13.484 -5.639 -0.145
266 1HZ LYS 85 3HZ LYS 85 -12.509 -4.379 1.974
267 2HZ LYS 85 1HZ LYS 85 -14.027 -4.820 2.596
268 3HZ LYS 85 2HZ LYS 85 -12.973 -6.012 2.012
No H/Q in entry = 268
Start of MODEL 8
1 1H SER 45 1H SER 45 17.249 2.276 -1.221
2 2H SER 45 3H SER 45 17.183 0.777 -0.424
3 3H SER 45 2H SER 45 18.289 1.963 0.081
4 HA SER 45 HA SER 45 19.585 1.736 -1.890
5 1HB SER 45 2HB SER 45 20.505 -0.217 -1.130
6 2HB SER 45 3HB SER 45 19.258 -0.099 0.107
7 HG SER 45 HG SER 45 18.023 -1.524 -0.995
8 H ASP 46 H ASP 46 16.774 -0.487 -1.996
9 HA ASP 46 HA ASP 46 17.104 -0.805 -4.924
10 1HB ASP 46 2HB ASP 46 16.296 -2.415 -2.827
11 2HB ASP 46 3HB ASP 46 14.761 -1.970 -3.574
12 H GLY 47 H GLY 47 15.166 0.982 -2.637
13 1HA GLY 47 2HA GLY 47 14.147 2.931 -4.222
14 2HA GLY 47 3HA GLY 47 13.067 1.591 -4.609
15 H ASP 48 H ASP 48 13.575 0.640 -1.707
16 HA ASP 48 HA ASP 48 12.600 0.982 0.430
17 1HB ASP 48 2HB ASP 48 13.513 3.361 -0.215
18 2HB ASP 48 3HB ASP 48 11.811 3.738 -0.481
19 H GLN 49 H GLN 49 11.038 0.918 -2.468
20 HA GLN 49 HA GLN 49 8.794 0.700 -3.148
21 1HB GLN 49 2HB GLN 49 8.988 -0.524 -0.414
22 2HB GLN 49 3HB GLN 49 7.541 -0.680 -1.402
23 1HG GLN 49 2HG GLN 49 8.837 -2.615 -1.895
24 2HG GLN 49 3HG GLN 49 9.107 -1.524 -3.256
25 1HE2 GLN 49 1HE2 GLN 49 12.155 -1.624 -0.487
26 2HE2 GLN 49 2HE2 GLN 49 10.538 -1.563 0.057
27 H CYS 50 H CYS 50 7.915 1.054 0.253
28 HA CYS 50 HA CYS 50 5.985 3.148 -0.401
29 1HB CYS 50 2HB CYS 50 5.408 1.515 1.243
30 2HB CYS 50 3HB CYS 50 6.930 1.739 2.102
31 H ALA 51 H ALA 51 7.735 4.676 -1.222
32 HA ALA 51 HA ALA 51 9.279 6.014 0.951
33 1HB ALA 51 3HB ALA 51 9.813 5.255 -1.685
34 2HB ALA 51 1HB ALA 51 9.584 7.002 -1.784
35 3HB ALA 51 2HB ALA 51 10.803 6.332 -0.700
36 H SER 52 H SER 52 6.734 6.570 -1.447
37 HA SER 52 HA SER 52 6.234 9.252 -0.193
38 1HB SER 52 2HB SER 52 7.167 8.876 -2.676
39 2HB SER 52 3HB SER 52 5.455 8.638 -3.015
40 HG SER 52 HG SER 52 5.361 10.696 -1.590
41 H SER 53 H SER 53 5.066 6.507 0.356
42 HA SER 53 HA SER 53 2.908 5.738 0.964
43 1HB SER 53 2HB SER 53 2.789 8.387 1.213
44 2HB SER 53 3HB SER 53 1.716 8.239 -0.176
45 HG SER 53 HG SER 53 1.472 7.120 2.408
46 HA PRO 54 HA PRO 54 2.334 4.825 -3.557
47 1HB PRO 54 2HB PRO 54 2.710 2.112 -3.292
48 2HB PRO 54 3HB PRO 54 4.025 3.255 -3.632
49 1HG PRO 54 2HG PRO 54 3.273 1.938 -1.086
50 2HG PRO 54 3HG PRO 54 4.869 2.388 -1.700
51 1HD PRO 54 2HD PRO 54 3.499 3.789 0.222
52 2HD PRO 54 3HD PRO 54 4.749 4.489 -0.829
53 H CYS 55 H CYS 55 0.825 4.225 -0.629
54 HA CYS 55 HA CYS 55 -1.283 2.438 -1.702
55 1HB CYS 55 2HB CYS 55 -1.262 3.757 1.007
56 2HB CYS 55 3HB CYS 55 -1.880 2.167 0.559
57 H GLN 56 H GLN 56 -3.614 3.165 -1.118
58 HA GLN 56 HA GLN 56 -3.954 6.108 -1.487
59 1HB GLN 56 2HB GLN 56 -5.268 3.839 -3.011
60 2HB GLN 56 3HB GLN 56 -5.711 5.538 -3.176
61 1HG GLN 56 2HG GLN 56 -3.669 6.109 -4.169
62 2HG GLN 56 3HG GLN 56 -2.851 4.684 -3.528
63 1HE2 GLN 56 1HE2 GLN 56 -3.365 3.020 -6.585
64 2HE2 GLN 56 2HE2 GLN 56 -2.298 3.427 -5.318
65 H ASN 57 H ASN 57 -6.554 6.454 -1.367
66 HA ASN 57 HA ASN 57 -8.327 6.572 0.204
67 1HB ASN 57 2HB ASN 57 -7.745 3.615 -0.121
68 2HB ASN 57 3HB ASN 57 -9.198 4.235 0.663
69 1HD2 ASN 57 1HD2 ASN 57 -9.129 4.021 -3.330
70 2HD2 ASN 57 2HD2 ASN 57 -8.007 3.227 -2.321
71 H GLY 58 H GLY 58 -5.980 7.186 1.520
72 1HA GLY 58 2HA GLY 58 -4.885 7.094 3.602
73 2HA GLY 58 3HA GLY 58 -6.512 6.800 4.219
74 H GLY 59 H GLY 59 -4.489 4.727 2.136
75 1HA GLY 59 2HA GLY 59 -4.952 2.515 4.063
76 2HA GLY 59 3HA GLY 59 -4.363 2.327 2.407
77 H SER 60 H SER 60 -3.168 1.311 4.931
78 HA SER 60 HA SER 60 -0.777 2.922 5.440
79 1HB SER 60 2HB SER 60 -2.230 0.814 6.635
80 2HB SER 60 3HB SER 60 -0.640 0.149 6.274
81 HG SER 60 HG SER 60 -1.170 1.537 8.319
82 H CYS 61 H CYS 61 1.439 1.827 5.157
83 HA CYS 61 HA CYS 61 1.497 0.257 2.605
84 1HB CYS 61 2HB CYS 61 3.178 1.688 1.792
85 2HB CYS 61 3HB CYS 61 2.112 2.796 2.648
86 H LYS 62 H LYS 62 2.625 -1.635 2.763
87 HA LYS 62 HA LYS 62 4.221 -2.117 5.240
88 1HB LYS 62 2HB LYS 62 2.330 -3.621 4.493
89 2HB LYS 62 3HB LYS 62 3.309 -4.041 3.087
90 1HG LYS 62 2HG LYS 62 5.156 -4.558 4.888
91 2HG LYS 62 3HG LYS 62 3.773 -4.703 5.975
92 1HD LYS 62 2HD LYS 62 2.745 -6.263 4.234
93 2HD LYS 62 3HD LYS 62 4.330 -6.285 3.460
94 1HE LYS 62 2HE LYS 62 3.984 -8.195 5.074
95 2HE LYS 62 3HE LYS 62 5.357 -7.159 5.514
96 1HZ LYS 62 1HZ LYS 62 2.656 -6.505 6.487
97 2HZ LYS 62 2HZ LYS 62 3.564 -7.691 7.290
98 3HZ LYS 62 3HZ LYS 62 4.164 -6.106 7.159
99 H ASP 63 H ASP 63 6.414 -2.544 5.128
100 HA ASP 63 HA ASP 63 7.681 -2.394 2.414
101 1HB ASP 63 2HB ASP 63 8.283 -0.507 3.734
102 2HB ASP 63 3HB ASP 63 8.490 -1.491 5.184
103 H GLN 64 H GLN 64 8.093 -4.518 1.849
104 HA GLN 64 HA GLN 64 9.255 -6.324 3.932
105 1HB GLN 64 2HB GLN 64 8.626 -7.679 1.476
106 2HB GLN 64 3HB GLN 64 7.865 -7.870 3.050
107 1HG GLN 64 2HG GLN 64 6.379 -5.935 2.541
108 2HG GLN 64 3HG GLN 64 7.112 -5.821 0.941
109 1HE2 GLN 64 1HE2 GLN 64 4.842 -8.179 -0.339
110 2HE2 GLN 64 2HE2 GLN 64 5.743 -6.750 -0.577
111 H LEU 65 H LEU 65 10.812 -8.020 2.752
112 HA LEU 65 HA LEU 65 12.998 -6.417 1.619
113 1HB LEU 65 2HB LEU 65 12.931 -8.420 3.362
114 2HB LEU 65 3HB LEU 65 13.043 -9.397 1.898
115 HG LEU 65 HG LEU 65 14.971 -7.655 1.312
116 1HD1 LEU 65 1HD1 LEU 65 14.548 -7.452 4.274
117 2HD1 LEU 65 2HD1 LEU 65 16.195 -7.392 3.646
118 3HD1 LEU 65 3HD1 LEU 65 15.008 -6.198 3.122
119 1HD2 LEU 65 3HD2 LEU 65 14.951 -10.173 2.918
120 2HD2 LEU 65 1HD2 LEU 65 15.691 -9.848 1.350
121 3HD2 LEU 65 2HD2 LEU 65 16.471 -9.284 2.828
122 H GLN 66 H GLN 66 10.472 -8.401 0.423
123 HA GLN 66 HA GLN 66 11.877 -8.887 -2.163
124 1HB GLN 66 2HB GLN 66 9.862 -10.339 -2.550
125 2HB GLN 66 3HB GLN 66 10.751 -10.769 -1.089
126 1HG GLN 66 2HG GLN 66 8.711 -8.716 -0.623
127 2HG GLN 66 3HG GLN 66 8.039 -10.240 -1.204
128 1HE2 GLN 66 1HE2 GLN 66 9.701 -11.998 1.655
129 2HE2 GLN 66 2HE2 GLN 66 9.827 -12.093 -0.034
130 H SER 67 H SER 67 9.426 -6.919 -0.688
131 HA SER 67 HA SER 67 9.228 -5.099 -2.886
132 1HB SER 67 2HB SER 67 8.054 -7.425 -3.531
133 2HB SER 67 3HB SER 67 6.710 -6.699 -2.657
134 HG SER 67 HG SER 67 7.665 -6.147 -5.120
135 H TYR 68 H TYR 68 6.167 -4.956 -2.254
136 HA TYR 68 HA TYR 68 6.110 -4.258 0.595
137 1HB TYR 68 2HB TYR 68 5.878 -1.876 0.257
138 2HB TYR 68 3HB TYR 68 7.322 -2.398 -0.612
139 HD1 TYR 68 HD1 TYR 68 7.312 -2.605 -3.067
140 HD2 TYR 68 HD2 TYR 68 3.898 -1.121 -0.927
141 HE1 TYR 68 HE1 TYR 68 6.375 -1.712 -5.184
142 HE2 TYR 68 HE2 TYR 68 2.961 -0.224 -3.042
143 HH TYR 68 HH TYR 68 3.213 -0.058 -5.237
144 H ILE 69 H ILE 69 3.950 -3.990 1.320
145 HA ILE 69 HA ILE 69 1.805 -4.170 -0.762
146 HB ILE 69 HB ILE 69 2.537 -6.042 1.463
147 1HG1 ILE 69 2HG1 ILE 69 1.584 -6.264 -1.400
148 2HG1 ILE 69 3HG1 ILE 69 3.174 -6.685 -0.759
149 1HG2 ILE 69 1HG2 ILE 69 -0.265 -5.588 0.391
150 2HG2 ILE 69 2HG2 ILE 69 0.226 -7.018 1.300
151 3HG2 ILE 69 3HG2 ILE 69 0.264 -5.430 2.067
152 1HD1 ILE 69 3HD1 ILE 69 1.939 -8.369 0.737
153 2HD1 ILE 69 1HD1 ILE 69 0.548 -8.104 -0.314
154 3HD1 ILE 69 2HD1 ILE 69 2.043 -8.761 -0.979
155 H CYS 70 H CYS 70 0.340 -2.575 -0.359
156 HA CYS 70 HA CYS 70 0.322 -1.136 2.182
157 1HB CYS 70 2HB CYS 70 -1.325 -1.021 -0.348
158 2HB CYS 70 3HB CYS 70 -1.491 0.122 0.982
159 H PHE 71 H PHE 71 -1.333 -1.154 3.733
160 HA PHE 71 HA PHE 71 -3.288 -3.413 3.522
161 1HB PHE 71 2HB PHE 71 -2.040 -1.911 5.846
162 2HB PHE 71 3HB PHE 71 -3.311 -3.123 6.039
163 HD1 PHE 71 HD1 PHE 71 -2.544 -5.079 3.932
164 HD2 PHE 71 HD2 PHE 71 -0.130 -2.953 6.779
165 HE1 PHE 71 HE1 PHE 71 -0.842 -6.880 3.834
166 HE2 PHE 71 HE2 PHE 71 1.571 -4.755 6.682
167 HZ PHE 71 HZ PHE 71 1.214 -6.718 5.210
168 H CYS 72 H CYS 72 -4.744 -2.022 2.242
169 HA CYS 72 HA CYS 72 -5.712 0.526 3.055
170 1HB CYS 72 2HB CYS 72 -7.212 -1.680 1.612
171 2HB CYS 72 3HB CYS 72 -7.481 0.058 1.462
172 H LEU 73 H LEU 73 -8.364 0.523 3.431
173 HA LEU 73 HA LEU 73 -8.688 -0.764 6.095
174 1HB LEU 73 2HB LEU 73 -10.529 1.206 4.726
175 2HB LEU 73 3HB LEU 73 -10.295 0.954 6.455
176 HG LEU 73 HG LEU 73 -8.151 2.011 4.591
177 1HD1 LEU 73 1HD1 LEU 73 -9.952 3.485 6.541
178 2HD1 LEU 73 2HD1 LEU 73 -8.603 4.200 5.658
179 3HD1 LEU 73 3HD1 LEU 73 -10.016 3.610 4.782
180 1HD2 LEU 73 1HD2 LEU 73 -7.560 0.777 6.785
181 2HD2 LEU 73 2HD2 LEU 73 -6.872 2.386 6.558
182 3HD2 LEU 73 3HD2 LEU 73 -8.272 2.165 7.608
183 HA PRO 74 HA PRO 74 -11.875 -3.564 4.976
184 1HB PRO 74 2HB PRO 74 -14.055 -2.089 6.316
185 2HB PRO 74 3HB PRO 74 -13.382 -3.687 6.697
186 1HG PRO 74 2HG PRO 74 -12.962 -1.520 8.243
187 2HG PRO 74 3HG PRO 74 -11.788 -2.833 8.084
188 1HD PRO 74 2HD PRO 74 -11.750 -0.113 6.888
189 2HD PRO 74 3HD PRO 74 -10.400 -1.132 7.436
190 H ALA 75 H ALA 75 -12.207 -0.270 4.163
191 HA ALA 75 HA ALA 75 -14.628 -0.535 2.527
192 1HB ALA 75 1HB ALA 75 -12.520 1.572 3.030
193 2HB ALA 75 2HB ALA 75 -13.797 1.813 1.839
194 3HB ALA 75 3HB ALA 75 -14.209 1.579 3.537
195 H PHE 76 H PHE 76 -11.140 -0.721 2.058
196 HA PHE 76 HA PHE 76 -11.613 -1.192 -0.860
197 1HB PHE 76 2HB PHE 76 -9.053 -0.213 0.421
198 2HB PHE 76 3HB PHE 76 -9.541 -0.086 -1.272
199 HD1 PHE 76 HD1 PHE 76 -10.143 1.195 2.151
200 HD2 PHE 76 HD2 PHE 76 -11.022 1.661 -2.028
201 HE1 PHE 76 HE1 PHE 76 -11.173 3.402 2.615
202 HE2 PHE 76 HE2 PHE 76 -12.054 3.869 -1.564
203 HZ PHE 76 HZ PHE 76 -12.128 4.739 0.757
204 H GLU 77 H GLU 77 -9.993 -2.719 -1.836
205 HA GLU 77 HA GLU 77 -8.620 -4.540 0.060
206 1HB GLU 77 2HB GLU 77 -11.043 -5.224 -0.177
207 2HB GLU 77 3HB GLU 77 -10.738 -5.494 -1.893
208 1HG GLU 77 2HG GLU 77 -8.654 -6.825 -0.549
209 2HG GLU 77 3HG GLU 77 -10.116 -7.210 0.358
210 H GLY 78 H GLY 78 -6.917 -3.335 -1.340
211 1HA GLY 78 2HA GLY 78 -6.134 -5.130 -3.527
212 2HA GLY 78 3HA GLY 78 -6.474 -3.473 -4.027
213 H ARG 79 H ARG 79 -3.913 -4.471 -4.361
214 HA ARG 79 HA ARG 79 -2.094 -4.052 -2.206
215 1HB ARG 79 2HB ARG 79 -1.748 -5.150 -4.480
216 2HB ARG 79 3HB ARG 79 -1.628 -3.524 -5.154
217 1HG ARG 79 2HG ARG 79 0.557 -3.553 -4.611
218 2HG ARG 79 3HG ARG 79 0.064 -3.500 -2.918
219 1HD ARG 79 2HD ARG 79 1.603 -5.444 -3.532
220 2HD ARG 79 3HD ARG 79 0.074 -5.924 -2.771
221 HE ARG 79 HE ARG 79 -0.712 -6.696 -4.899
222 1HH1 ARG 79 1HH1 ARG 79 0.474 -4.349 -6.458
223 2HH1 ARG 79 2HH1 ARG 79 1.624 -5.167 -7.461
224 1HH2 ARG 79 1HH2 ARG 79 1.576 -8.087 -5.592
225 2HH2 ARG 79 2HH2 ARG 79 2.249 -7.283 -6.971
226 H ASN 80 H ASN 80 -4.001 -1.804 -3.951
227 HA ASN 80 HA ASN 80 -2.467 0.453 -2.732
228 1HB ASN 80 2HB ASN 80 -3.533 0.411 -5.570
229 2HB ASN 80 3HB ASN 80 -2.471 1.619 -4.845
230 1HD2 ASN 80 1HD2 ASN 80 0.455 -0.466 -5.062
231 2HD2 ASN 80 2HD2 ASN 80 -0.247 0.800 -4.160
232 H CYS 81 H CYS 81 -5.139 -0.997 -2.285
233 HA CYS 81 HA CYS 81 -7.316 -0.344 -1.632
234 1HB CYS 81 2HB CYS 81 -6.242 2.467 -1.986
235 2HB CYS 81 3HB CYS 81 -7.498 1.924 -0.874
236 H GLU 82 H GLU 82 -6.182 -0.150 -4.623
237 HA GLU 82 HA GLU 82 -7.905 1.717 -5.982
238 1HB GLU 82 2HB GLU 82 -5.955 0.943 -7.089
239 2HB GLU 82 3HB GLU 82 -6.321 -0.747 -6.726
240 1HG GLU 82 2HG GLU 82 -8.333 -0.579 -8.202
241 2HG GLU 82 3HG GLU 82 -7.839 1.058 -8.633
242 H THR 83 H THR 83 -8.416 -1.463 -4.659
243 HA THR 83 HA THR 83 -10.815 -2.003 -6.290
244 HB THR 83 HB THR 83 -9.657 -3.399 -3.855
245 HG1 THR 83 HG1 THR 83 -8.111 -3.511 -5.366
246 1HG2 THR 83 1HG2 THR 83 -11.935 -3.898 -5.647
247 2HG2 THR 83 2HG2 THR 83 -10.860 -5.283 -5.452
248 3HG2 THR 83 3HG2 THR 83 -11.606 -4.540 -4.037
249 H HIS 84 H HIS 84 -11.803 0.138 -5.469
250 HA HIS 84 HA HIS 84 -12.575 0.522 -2.747
251 1HB HIS 84 2HB HIS 84 -14.100 1.350 -5.231
252 2HB HIS 84 3HB HIS 84 -14.024 2.196 -3.685
253 HD1 HIS 84 HD1 HIS 84 -12.428 2.056 -6.951
254 HD2 HIS 84 HD2 HIS 84 -11.252 3.172 -3.111
255 HE1 HIS 84 HE1 HIS 84 -10.319 3.432 -7.221
256 H LYS 85 H LYS 85 -13.486 -1.363 -1.816
257 HA LYS 85 HA LYS 85 -15.297 -3.186 -2.919
258 1HB LYS 85 2HB LYS 85 -15.157 -2.015 -0.119
259 2HB LYS 85 3HB LYS 85 -15.972 -3.526 -0.539
260 1HG LYS 85 2HG LYS 85 -13.969 -4.630 -1.017
261 2HG LYS 85 3HG LYS 85 -13.096 -3.126 -1.313
262 1HD LYS 85 2HD LYS 85 -12.280 -3.494 0.788
263 2HD LYS 85 3HD LYS 85 -13.811 -2.769 1.286
264 1HE LYS 85 2HE LYS 85 -13.709 -5.726 0.740
265 2HE LYS 85 3HE LYS 85 -13.124 -5.100 2.295
266 1HZ LYS 85 1HZ LYS 85 -15.627 -4.008 1.263
267 2HZ LYS 85 2HZ LYS 85 -15.678 -5.595 1.867
268 3HZ LYS 85 3HZ LYS 85 -15.163 -4.320 2.864
No H/Q in entry = 268
Start of MODEL 9
1 1H SER 45 2H SER 45 17.586 8.996 -0.379
2 2H SER 45 1H SER 45 17.490 8.164 1.099
3 3H SER 45 3H SER 45 18.837 7.946 0.091
4 HA SER 45 HA SER 45 17.601 6.744 -1.505
5 1HB SER 45 2HB SER 45 16.702 4.949 0.000
6 2HB SER 45 3HB SER 45 18.288 5.532 0.499
7 HG SER 45 HG SER 45 15.899 6.661 1.497
8 H ASP 46 H ASP 46 15.603 6.337 -2.525
9 HA ASP 46 HA ASP 46 13.022 6.807 -1.378
10 1HB ASP 46 2HB ASP 46 12.598 9.001 -2.590
11 2HB ASP 46 3HB ASP 46 13.732 9.110 -1.245
12 H GLY 47 H GLY 47 13.372 4.719 -2.803
13 1HA GLY 47 2HA GLY 47 11.898 5.120 -5.274
14 2HA GLY 47 3HA GLY 47 13.579 4.670 -5.571
15 H ASP 48 H ASP 48 11.919 3.515 -2.722
16 HA ASP 48 HA ASP 48 12.225 0.736 -3.721
17 1HB ASP 48 2HB ASP 48 11.794 2.114 -1.079
18 2HB ASP 48 3HB ASP 48 11.502 0.381 -1.223
19 H GLN 49 H GLN 49 9.753 1.477 -1.381
20 HA GLN 49 HA GLN 49 7.614 1.132 -3.433
21 1HB GLN 49 2HB GLN 49 7.753 -0.380 -0.828
22 2HB GLN 49 3HB GLN 49 6.658 -0.672 -2.178
23 1HG GLN 49 2HG GLN 49 8.194 -2.259 -2.749
24 2HG GLN 49 3HG GLN 49 9.065 -0.886 -3.433
25 1HE2 GLN 49 1HE2 GLN 49 10.290 -1.936 0.352
26 2HE2 GLN 49 2HE2 GLN 49 8.622 -1.802 0.022
27 H CYS 50 H CYS 50 7.947 1.386 0.128
28 HA CYS 50 HA CYS 50 5.579 3.095 0.317
29 1HB CYS 50 2HB CYS 50 7.711 2.127 2.242
30 2HB CYS 50 3HB CYS 50 6.335 3.108 2.747
31 H ALA 51 H ALA 51 8.541 3.802 -0.848
32 HA ALA 51 HA ALA 51 9.223 6.200 0.662
33 1HB ALA 51 1HB ALA 51 10.260 4.533 -1.452
34 2HB ALA 51 2HB ALA 51 10.342 6.224 -1.947
35 3HB ALA 51 3HB ALA 51 11.123 5.703 -0.454
36 H SER 52 H SER 52 6.637 5.578 -1.299
37 HA SER 52 HA SER 52 6.309 8.461 -1.949
38 1HB SER 52 2HB SER 52 5.836 7.924 -4.290
39 2HB SER 52 3HB SER 52 7.428 7.303 -3.863
40 HG SER 52 HG SER 52 5.908 5.842 -5.005
41 H SER 53 H SER 53 5.041 6.356 -0.141
42 HA SER 53 HA SER 53 2.866 5.614 0.448
43 1HB SER 53 2HB SER 53 3.017 8.393 -0.151
44 2HB SER 53 3HB SER 53 1.464 7.820 -0.752
45 HG SER 53 HG SER 53 1.523 6.679 1.464
46 HA PRO 54 HA PRO 54 1.902 4.263 -3.889
47 1HB PRO 54 2HB PRO 54 2.281 1.588 -3.467
48 2HB PRO 54 3HB PRO 54 3.600 2.684 -3.934
49 1HG PRO 54 2HG PRO 54 2.938 1.544 -1.276
50 2HG PRO 54 3HG PRO 54 4.514 1.904 -1.991
51 1HD PRO 54 2HD PRO 54 3.243 3.475 -0.111
52 2HD PRO 54 3HD PRO 54 4.504 4.046 -1.227
53 H CYS 55 H CYS 55 0.690 3.910 -0.778
54 HA CYS 55 HA CYS 55 -1.575 2.149 -1.559
55 1HB CYS 55 2HB CYS 55 -1.188 3.455 1.127
56 2HB CYS 55 3HB CYS 55 -1.885 1.879 0.755
57 H GLN 56 H GLN 56 -3.794 2.958 -0.733
58 HA GLN 56 HA GLN 56 -4.081 5.915 -0.905
59 1HB GLN 56 2HB GLN 56 -5.468 3.847 -2.640
60 2HB GLN 56 3HB GLN 56 -5.844 5.570 -2.637
61 1HG GLN 56 2HG GLN 56 -3.576 6.105 -3.351
62 2HG GLN 56 3HG GLN 56 -3.119 4.404 -3.257
63 1HE2 GLN 56 1HE2 GLN 56 -5.496 3.692 -6.079
64 2HE2 GLN 56 2HE2 GLN 56 -5.410 3.207 -4.446
65 H ASN 57 H ASN 57 -6.687 6.269 -0.776
66 HA ASN 57 HA ASN 57 -8.461 6.269 0.798
67 1HB ASN 57 2HB ASN 57 -8.006 3.283 0.533
68 2HB ASN 57 3HB ASN 57 -9.535 4.105 0.844
69 1HD2 ASN 57 1HD2 ASN 57 -8.846 3.333 -2.902
70 2HD2 ASN 57 2HD2 ASN 57 -8.455 2.388 -1.538
71 H GLY 58 H GLY 58 -6.345 6.906 2.266
72 1HA GLY 58 2HA GLY 58 -5.250 6.671 4.339
73 2HA GLY 58 3HA GLY 58 -6.837 6.127 4.879
74 H GLY 59 H GLY 59 -4.719 4.485 2.543
75 1HA GLY 59 2HA GLY 59 -4.840 2.082 4.285
76 2HA GLY 59 3HA GLY 59 -4.352 2.095 2.586
77 H SER 60 H SER 60 -2.972 1.153 5.164
78 HA SER 60 HA SER 60 -0.646 2.907 5.443
79 1HB SER 60 2HB SER 60 -1.412 0.141 6.409
80 2HB SER 60 3HB SER 60 0.118 0.905 6.835
81 HG SER 60 HG SER 60 -2.269 2.336 7.166
82 H CYS 61 H CYS 61 1.593 2.032 5.004
83 HA CYS 61 HA CYS 61 1.606 0.356 2.512
84 1HB CYS 61 2HB CYS 61 2.209 2.799 2.330
85 2HB CYS 61 3HB CYS 61 3.567 2.490 3.411
86 H LYS 62 H LYS 62 2.277 -1.672 3.133
87 HA LYS 62 HA LYS 62 4.137 -2.076 5.372
88 1HB LYS 62 2HB LYS 62 2.261 -3.610 4.830
89 2HB LYS 62 3HB LYS 62 3.012 -3.962 3.276
90 1HG LYS 62 2HG LYS 62 3.664 -5.745 4.712
91 2HG LYS 62 3HG LYS 62 5.076 -4.694 4.583
92 1HD LYS 62 2HD LYS 62 4.767 -5.263 6.916
93 2HD LYS 62 3HD LYS 62 4.345 -3.563 6.701
94 1HE LYS 62 2HE LYS 62 1.950 -4.155 6.597
95 2HE LYS 62 3HE LYS 62 2.365 -5.868 6.806
96 1HZ LYS 62 1HZ LYS 62 3.419 -3.855 8.680
97 2HZ LYS 62 2HZ LYS 62 1.842 -4.446 8.889
98 3HZ LYS 62 3HZ LYS 62 3.161 -5.516 8.926
99 H ASP 63 H ASP 63 6.311 -2.796 5.162
100 HA ASP 63 HA ASP 63 7.460 -2.639 2.393
101 1HB ASP 63 2HB ASP 63 7.941 -0.655 3.783
102 2HB ASP 63 3HB ASP 63 8.603 -1.696 5.044
103 H GLN 64 H GLN 64 7.958 -4.768 1.919
104 HA GLN 64 HA GLN 64 9.326 -6.361 4.066
105 1HB GLN 64 2HB GLN 64 8.496 -8.246 2.326
106 2HB GLN 64 3HB GLN 64 7.466 -7.640 3.618
107 1HG GLN 64 2HG GLN 64 6.223 -6.278 2.163
108 2HG GLN 64 3HG GLN 64 7.488 -6.280 0.935
109 1HE2 GLN 64 1HE2 GLN 64 5.181 -8.653 -0.535
110 2HE2 GLN 64 2HE2 GLN 64 5.499 -6.978 -0.451
111 H LEU 65 H LEU 65 10.753 -8.170 2.939
112 HA LEU 65 HA LEU 65 12.794 -6.772 1.414
113 1HB LEU 65 2HB LEU 65 12.647 -8.902 3.152
114 2HB LEU 65 3HB LEU 65 12.922 -9.703 1.604
115 HG LEU 65 HG LEU 65 15.070 -9.175 2.655
116 1HD1 LEU 65 3HD1 LEU 65 14.826 -8.998 0.173
117 2HD1 LEU 65 1HD1 LEU 65 14.501 -7.275 0.360
118 3HD1 LEU 65 2HD1 LEU 65 16.074 -7.930 0.814
119 1HD2 LEU 65 1HD2 LEU 65 13.812 -7.005 3.703
120 2HD2 LEU 65 2HD2 LEU 65 15.566 -7.152 3.604
121 3HD2 LEU 65 3HD2 LEU 65 14.686 -6.245 2.373
122 H GLN 66 H GLN 66 10.080 -8.734 0.592
123 HA GLN 66 HA GLN 66 11.127 -9.436 -2.086
124 1HB GLN 66 2HB GLN 66 9.027 -10.665 -2.245
125 2HB GLN 66 3HB GLN 66 9.718 -10.948 -0.646
126 1HG GLN 66 2HG GLN 66 8.246 -9.280 0.339
127 2HG GLN 66 3HG GLN 66 7.623 -8.841 -1.251
128 1HE2 GLN 66 1HE2 GLN 66 6.226 -12.191 0.612
129 2HE2 GLN 66 2HE2 GLN 66 7.521 -11.314 1.274
130 H SER 67 H SER 67 8.844 -7.218 -0.576
131 HA SER 67 HA SER 67 8.948 -5.285 -2.681
132 1HB SER 67 2HB SER 67 7.794 -7.096 -3.910
133 2HB SER 67 3HB SER 67 6.559 -7.166 -2.656
134 HG SER 67 HG SER 67 6.602 -5.629 -4.780
135 H TYR 68 H TYR 68 5.711 -5.425 -1.905
136 HA TYR 68 HA TYR 68 5.870 -4.489 0.860
137 1HB TYR 68 2HB TYR 68 5.080 -2.185 0.247
138 2HB TYR 68 3HB TYR 68 6.715 -2.548 -0.316
139 HD1 TYR 68 HD1 TYR 68 6.862 -3.603 -2.741
140 HD2 TYR 68 HD2 TYR 68 3.523 -1.338 -1.266
141 HE1 TYR 68 HE1 TYR 68 6.156 -3.126 -5.070
142 HE2 TYR 68 HE2 TYR 68 2.819 -0.858 -3.595
143 HH TYR 68 HH TYR 68 4.447 -0.862 -6.043
144 H ILE 69 H ILE 69 3.626 -3.734 1.580
145 HA ILE 69 HA ILE 69 1.395 -4.700 -0.124
146 HB ILE 69 HB ILE 69 2.483 -5.984 2.356
147 1HG1 ILE 69 2HG1 ILE 69 1.044 -7.701 0.593
148 2HG1 ILE 69 3HG1 ILE 69 2.036 -6.621 -0.389
149 1HG2 ILE 69 3HG2 ILE 69 0.174 -5.301 2.974
150 2HG2 ILE 69 1HG2 ILE 69 -0.435 -6.107 1.528
151 3HG2 ILE 69 2HG2 ILE 69 0.319 -7.051 2.813
152 1HD1 ILE 69 3HD1 ILE 69 3.964 -7.178 1.198
153 2HD1 ILE 69 1HD1 ILE 69 2.943 -8.470 1.828
154 3HD1 ILE 69 2HD1 ILE 69 3.441 -8.487 0.136
155 H CYS 70 H CYS 70 0.094 -2.917 -0.025
156 HA CYS 70 HA CYS 70 0.032 -1.189 2.326
157 1HB CYS 70 2HB CYS 70 -1.565 -1.319 -0.236
158 2HB CYS 70 3HB CYS 70 -1.692 -0.018 0.944
159 H PHE 71 H PHE 71 -1.269 -1.499 4.069
160 HA PHE 71 HA PHE 71 -3.419 -3.536 3.946
161 1HB PHE 71 2HB PHE 71 -1.968 -1.972 6.086
162 2HB PHE 71 3HB PHE 71 -3.415 -2.912 6.469
163 HD1 PHE 71 HD1 PHE 71 -0.056 -3.191 4.839
164 HD2 PHE 71 HD2 PHE 71 -3.262 -5.230 6.844
165 HE1 PHE 71 HE1 PHE 71 1.308 -5.263 4.914
166 HE2 PHE 71 HE2 PHE 71 -1.899 -7.300 6.918
167 HZ PHE 71 HZ PHE 71 0.386 -7.316 5.953
168 H CYS 72 H CYS 72 -4.964 -2.311 2.663
169 HA CYS 72 HA CYS 72 -5.855 0.341 3.398
170 1HB CYS 72 2HB CYS 72 -7.382 -1.784 1.874
171 2HB CYS 72 3HB CYS 72 -7.477 -0.034 1.671
172 H LEU 73 H LEU 73 -8.625 0.146 3.496
173 HA LEU 73 HA LEU 73 -9.052 -1.209 6.134
174 1HB LEU 73 2HB LEU 73 -10.724 0.989 4.906
175 2HB LEU 73 3HB LEU 73 -10.550 0.572 6.610
176 HG LEU 73 HG LEU 73 -7.940 1.135 5.714
177 1HD1 LEU 73 3HD1 LEU 73 -8.959 2.214 3.724
178 2HD1 LEU 73 1HD1 LEU 73 -9.919 3.244 4.786
179 3HD1 LEU 73 2HD1 LEU 73 -8.162 3.395 4.764
180 1HD2 LEU 73 3HD2 LEU 73 -9.931 2.833 7.260
181 2HD2 LEU 73 1HD2 LEU 73 -8.848 1.621 7.947
182 3HD2 LEU 73 2HD2 LEU 73 -8.187 3.094 7.234
183 HA PRO 74 HA PRO 74 -12.374 -3.666 4.653
184 1HB PRO 74 2HB PRO 74 -14.507 -2.184 6.055
185 2HB PRO 74 3HB PRO 74 -13.940 -3.847 6.314
186 1HG PRO 74 2HG PRO 74 -13.457 -1.845 8.058
187 2HG PRO 74 3HG PRO 74 -12.361 -3.215 7.829
188 1HD PRO 74 2HD PRO 74 -12.105 -0.412 6.873
189 2HD PRO 74 3HD PRO 74 -10.844 -1.560 7.378
190 H ALA 75 H ALA 75 -12.435 -0.303 4.134
191 HA ALA 75 HA ALA 75 -14.800 -0.275 2.378
192 1HB ALA 75 1HB ALA 75 -12.669 1.690 3.240
193 2HB ALA 75 2HB ALA 75 -13.898 2.112 2.046
194 3HB ALA 75 3HB ALA 75 -14.376 1.675 3.687
195 H PHE 76 H PHE 76 -11.270 -0.352 2.075
196 HA PHE 76 HA PHE 76 -11.609 -0.594 -0.891
197 1HB PHE 76 2HB PHE 76 -9.185 0.479 0.566
198 2HB PHE 76 3HB PHE 76 -9.612 0.689 -1.136
199 HD1 PHE 76 HD1 PHE 76 -10.395 1.706 2.331
200 HD2 PHE 76 HD2 PHE 76 -11.262 2.323 -1.831
201 HE1 PHE 76 HE1 PHE 76 -11.623 3.786 2.895
202 HE2 PHE 76 HE2 PHE 76 -12.490 4.402 -1.268
203 HZ PHE 76 HZ PHE 76 -12.671 5.134 1.096
204 H GLU 77 H GLU 77 -9.339 -1.576 -1.744
205 HA GLU 77 HA GLU 77 -8.060 -3.546 -0.030
206 1HB GLU 77 2HB GLU 77 -10.128 -4.713 -0.195
207 2HB GLU 77 3HB GLU 77 -10.313 -4.301 -1.900
208 1HG GLU 77 2HG GLU 77 -8.700 -5.855 -2.587
209 2HG GLU 77 3HG GLU 77 -7.947 -5.921 -0.993
210 H GLY 78 H GLY 78 -6.370 -4.692 -1.210
211 1HA GLY 78 2HA GLY 78 -5.500 -5.195 -3.558
212 2HA GLY 78 3HA GLY 78 -5.809 -3.489 -3.891
213 H ARG 79 H ARG 79 -3.237 -4.661 -4.154
214 HA ARG 79 HA ARG 79 -1.513 -4.392 -1.920
215 1HB ARG 79 2HB ARG 79 -0.853 -5.436 -4.005
216 2HB ARG 79 3HB ARG 79 -1.125 -3.936 -4.893
217 1HG ARG 79 2HG ARG 79 0.807 -2.950 -4.099
218 2HG ARG 79 3HG ARG 79 0.777 -3.864 -2.590
219 1HD ARG 79 2HD ARG 79 1.341 -5.154 -5.279
220 2HD ARG 79 3HD ARG 79 2.616 -4.571 -4.191
221 HE ARG 79 HE ARG 79 0.977 -6.101 -2.552
222 1HH1 ARG 79 1HH1 ARG 79 3.569 -6.465 -4.643
223 2HH1 ARG 79 2HH1 ARG 79 3.467 -8.190 -4.758
224 1HH2 ARG 79 1HH2 ARG 79 0.450 -8.388 -3.060
225 2HH2 ARG 79 2HH2 ARG 79 1.701 -9.279 -3.861
226 H ASN 80 H ASN 80 -3.239 -1.962 -3.641
227 HA ASN 80 HA ASN 80 -1.781 0.143 -2.121
228 1HB ASN 80 2HB ASN 80 -2.176 -0.028 -5.120
229 2HB ASN 80 3HB ASN 80 -1.727 1.468 -4.299
230 1HD2 ASN 80 1HD2 ASN 80 1.138 -1.210 -5.118
231 2HD2 ASN 80 2HD2 ASN 80 -0.428 -1.273 -5.793
232 H CYS 81 H CYS 81 -4.443 -0.989 -1.767
233 HA CYS 81 HA CYS 81 -6.726 -0.325 -1.669
234 1HB CYS 81 2HB CYS 81 -5.426 2.404 -1.458
235 2HB CYS 81 3HB CYS 81 -6.898 1.849 -0.663
236 H GLU 82 H GLU 82 -5.365 -0.248 -4.395
237 HA GLU 82 HA GLU 82 -6.497 2.051 -5.795
238 1HB GLU 82 2HB GLU 82 -4.507 1.137 -6.681
239 2HB GLU 82 3HB GLU 82 -5.090 -0.521 -6.509
240 1HG GLU 82 2HG GLU 82 -6.797 -0.073 -8.263
241 2HG GLU 82 3HG GLU 82 -6.134 1.548 -8.468
242 H THR 83 H THR 83 -7.673 -1.048 -4.808
243 HA THR 83 HA THR 83 -9.886 -0.954 -6.815
244 HB THR 83 HB THR 83 -8.937 -3.091 -4.878
245 HG1 THR 83 HG1 THR 83 -8.512 -2.553 -7.609
246 1HG2 THR 83 3HG2 THR 83 -11.408 -2.805 -6.247
247 2HG2 THR 83 1HG2 THR 83 -10.499 -4.066 -7.079
248 3HG2 THR 83 2HG2 THR 83 -10.825 -4.208 -5.351
249 H HIS 84 H HIS 84 -11.117 0.741 -5.745
250 HA HIS 84 HA HIS 84 -11.849 0.703 -2.971
251 1HB HIS 84 2HB HIS 84 -13.316 1.828 -5.380
252 2HB HIS 84 3HB HIS 84 -13.502 2.359 -3.709
253 HD1 HIS 84 HD1 HIS 84 -11.106 2.470 -6.605
254 HD2 HIS 84 HD2 HIS 84 -11.391 3.990 -2.733
255 HE1 HIS 84 HE1 HIS 84 -9.272 4.201 -6.378
256 H LYS 85 H LYS 85 -13.288 -0.632 -1.938
257 HA LYS 85 HA LYS 85 -14.634 -2.795 -3.233
258 1HB LYS 85 2HB LYS 85 -15.205 -1.410 -0.590
259 2HB LYS 85 3HB LYS 85 -15.686 -3.054 -1.021
260 1HG LYS 85 2HG LYS 85 -13.272 -3.626 -1.337
261 2HG LYS 85 3HG LYS 85 -12.850 -2.016 -0.756
262 1HD LYS 85 2HD LYS 85 -12.934 -2.809 1.347
263 2HD LYS 85 3HD LYS 85 -14.666 -3.066 1.132
264 1HE LYS 85 2HE LYS 85 -13.657 -5.247 -0.183
265 2HE LYS 85 3HE LYS 85 -12.468 -5.041 1.118
266 1HZ LYS 85 1HZ LYS 85 -15.336 -4.757 1.709
267 2HZ LYS 85 2HZ LYS 85 -14.666 -6.315 1.594
268 3HZ LYS 85 3HZ LYS 85 -14.067 -5.218 2.741
No H/Q in entry = 268
Start of MODEL 10
1 1H SER 45 2H SER 45 17.705 1.204 8.099
2 2H SER 45 1H SER 45 17.608 2.338 9.360
3 3H SER 45 3H SER 45 16.532 1.025 9.309
4 HA SER 45 HA SER 45 15.358 2.972 8.567
5 1HB SER 45 2HB SER 45 17.696 3.167 6.641
6 2HB SER 45 3HB SER 45 16.327 4.274 6.705
7 HG SER 45 HG SER 45 18.462 3.928 8.485
8 H ASP 46 H ASP 46 17.106 1.616 5.768
9 HA ASP 46 HA ASP 46 16.202 0.545 3.848
10 1HB ASP 46 2HB ASP 46 15.512 -1.656 4.463
11 2HB ASP 46 3HB ASP 46 16.598 -1.136 5.750
12 H GLY 47 H GLY 47 13.766 -0.818 3.511
13 1HA GLY 47 2HA GLY 47 11.505 -0.443 3.002
14 2HA GLY 47 3HA GLY 47 11.469 0.663 4.376
15 H ASP 48 H ASP 48 12.562 0.482 0.981
16 HA ASP 48 HA ASP 48 12.403 3.452 0.802
17 1HB ASP 48 2HB ASP 48 13.590 1.209 -0.829
18 2HB ASP 48 3HB ASP 48 13.416 2.824 -1.515
19 H GLN 49 H GLN 49 11.019 0.497 -0.624
20 HA GLN 49 HA GLN 49 9.506 1.404 -2.735
21 1HB GLN 49 2HB GLN 49 8.758 -0.429 -0.463
22 2HB GLN 49 3HB GLN 49 7.830 -0.317 -1.952
23 1HG GLN 49 2HG GLN 49 10.741 -1.127 -1.694
24 2HG GLN 49 3HG GLN 49 9.393 -2.182 -2.123
25 1HE2 GLN 49 1HE2 GLN 49 9.081 0.151 -5.175
26 2HE2 GLN 49 2HE2 GLN 49 8.183 0.142 -3.730
27 H CYS 50 H CYS 50 8.541 1.633 0.697
28 HA CYS 50 HA CYS 50 6.183 3.261 0.034
29 1HB CYS 50 2HB CYS 50 7.510 2.343 2.603
30 2HB CYS 50 3HB CYS 50 5.986 3.232 2.553
31 H ALA 51 H ALA 51 8.491 4.568 -0.894
32 HA ALA 51 HA ALA 51 9.231 6.590 1.149
33 1HB ALA 51 3HB ALA 51 10.928 5.506 -0.298
34 2HB ALA 51 1HB ALA 51 10.101 6.132 -1.725
35 3HB ALA 51 2HB ALA 51 10.864 7.244 -0.589
36 H SER 52 H SER 52 6.477 6.410 -0.155
37 HA SER 52 HA SER 52 6.035 9.231 -0.529
38 1HB SER 52 2HB SER 52 5.825 9.316 -2.919
39 2HB SER 52 3HB SER 52 7.357 8.511 -2.593
40 HG SER 52 HG SER 52 6.572 6.718 -3.386
41 H SER 53 H SER 53 4.829 6.869 0.798
42 HA SER 53 HA SER 53 2.711 5.825 1.067
43 1HB SER 53 2HB SER 53 1.040 7.502 1.266
44 2HB SER 53 3HB SER 53 2.551 8.368 1.525
45 HG SER 53 HG SER 53 2.365 9.295 -0.401
46 HA PRO 54 HA PRO 54 2.228 5.122 -3.512
47 1HB PRO 54 2HB PRO 54 2.899 2.466 -3.479
48 2HB PRO 54 3HB PRO 54 4.092 3.765 -3.688
49 1HG PRO 54 2HG PRO 54 3.455 2.152 -1.283
50 2HG PRO 54 3HG PRO 54 5.006 2.803 -1.830
51 1HD PRO 54 2HD PRO 54 3.472 3.894 0.182
52 2HD PRO 54 3HD PRO 54 4.686 4.786 -0.763
53 H CYS 55 H CYS 55 0.816 4.228 -0.634
54 HA CYS 55 HA CYS 55 -1.017 2.159 -1.604
55 1HB CYS 55 2HB CYS 55 -1.345 3.904 0.843
56 2HB CYS 55 3HB CYS 55 -1.833 2.222 0.626
57 H GLN 56 H GLN 56 -3.493 2.694 -1.191
58 HA GLN 56 HA GLN 56 -4.085 5.393 -2.345
59 1HB GLN 56 2HB GLN 56 -5.210 2.659 -3.002
60 2HB GLN 56 3HB GLN 56 -5.898 4.166 -3.609
61 1HG GLN 56 2HG GLN 56 -3.745 4.735 -4.661
62 2HG GLN 56 3HG GLN 56 -3.048 3.233 -4.054
63 1HE2 GLN 56 1HE2 GLN 56 -6.087 2.693 -6.776
64 2HE2 GLN 56 2HE2 GLN 56 -6.297 3.801 -5.496
65 H ASN 57 H ASN 57 -6.494 5.923 -2.047
66 HA ASN 57 HA ASN 57 -8.113 6.528 -0.416
67 1HB ASN 57 2HB ASN 57 -8.028 3.503 -0.202
68 2HB ASN 57 3HB ASN 57 -9.404 4.531 0.194
69 1HD2 ASN 57 1HD2 ASN 57 -8.695 3.538 -3.677
70 2HD2 ASN 57 2HD2 ASN 57 -7.702 2.965 -2.414
71 H GLY 58 H GLY 58 -5.897 7.172 0.859
72 1HA GLY 58 2HA GLY 58 -4.705 7.158 2.899
73 2HA GLY 58 3HA GLY 58 -6.330 7.025 3.569
74 H GLY 59 H GLY 59 -4.123 4.771 1.848
75 1HA GLY 59 2HA GLY 59 -4.833 2.741 3.923
76 2HA GLY 59 3HA GLY 59 -4.243 2.356 2.301
77 H SER 60 H SER 60 -3.018 1.339 4.668
78 HA SER 60 HA SER 60 -0.630 2.948 5.253
79 1HB SER 60 2HB SER 60 -1.759 1.523 6.924
80 2HB SER 60 3HB SER 60 -1.446 0.102 5.933
81 HG SER 60 HG SER 60 0.272 0.088 7.208
82 H CYS 61 H CYS 61 1.581 1.979 4.897
83 HA CYS 61 HA CYS 61 1.678 0.468 2.304
84 1HB CYS 61 2HB CYS 61 2.467 2.931 2.531
85 2HB CYS 61 3HB CYS 61 3.827 2.265 3.433
86 H LYS 62 H LYS 62 2.645 -1.535 2.426
87 HA LYS 62 HA LYS 62 4.344 -2.093 4.844
88 1HB LYS 62 2HB LYS 62 2.496 -3.523 4.965
89 2HB LYS 62 3HB LYS 62 2.378 -3.679 3.218
90 1HG LYS 62 2HG LYS 62 4.545 -4.968 3.255
91 2HG LYS 62 3HG LYS 62 4.462 -4.939 5.018
92 1HD LYS 62 2HD LYS 62 1.933 -5.794 3.880
93 2HD LYS 62 3HD LYS 62 3.254 -6.816 3.314
94 1HE LYS 62 2HE LYS 62 3.784 -7.558 5.464
95 2HE LYS 62 3HE LYS 62 3.095 -6.116 6.237
96 1HZ LYS 62 3HZ LYS 62 0.898 -6.819 5.445
97 2HZ LYS 62 1HZ LYS 62 1.579 -8.243 4.817
98 3HZ LYS 62 2HZ LYS 62 1.585 -7.967 6.491
99 H ASP 63 H ASP 63 6.262 -3.413 4.475
100 HA ASP 63 HA ASP 63 7.245 -3.300 1.640
101 1HB ASP 63 2HB ASP 63 8.460 -2.710 4.323
102 2HB ASP 63 3HB ASP 63 9.509 -3.241 3.007
103 H GLN 64 H GLN 64 7.735 -5.275 0.779
104 HA GLN 64 HA GLN 64 8.017 -7.594 2.653
105 1HB GLN 64 2HB GLN 64 7.684 -8.393 -0.084
106 2HB GLN 64 3HB GLN 64 6.569 -8.620 1.257
107 1HG GLN 64 2HG GLN 64 5.747 -6.259 0.856
108 2HG GLN 64 3HG GLN 64 6.725 -6.241 -0.613
109 1HE2 GLN 64 1HE2 GLN 64 3.582 -8.911 -0.502
110 2HE2 GLN 64 2HE2 GLN 64 4.435 -8.580 0.937
111 H LEU 65 H LEU 65 10.215 -5.753 1.950
112 HA LEU 65 HA LEU 65 12.517 -5.979 1.511
113 1HB LEU 65 2HB LEU 65 11.449 -8.621 1.946
114 2HB LEU 65 3HB LEU 65 12.717 -8.684 0.722
115 HG LEU 65 HG LEU 65 13.374 -6.954 3.004
116 1HD1 LEU 65 3HD1 LEU 65 12.013 -8.858 4.035
117 2HD1 LEU 65 1HD1 LEU 65 13.288 -9.941 3.477
118 3HD1 LEU 65 2HD1 LEU 65 13.658 -8.669 4.642
119 1HD2 LEU 65 3HD2 LEU 65 14.665 -9.163 1.402
120 2HD2 LEU 65 1HD2 LEU 65 15.114 -7.460 1.484
121 3HD2 LEU 65 2HD2 LEU 65 15.435 -8.523 2.853
122 H GLN 66 H GLN 66 11.523 -8.509 -0.671
123 HA GLN 66 HA GLN 66 12.919 -7.576 -2.938
124 1HB GLN 66 2HB GLN 66 11.626 -9.230 -4.113
125 2HB GLN 66 3HB GLN 66 11.829 -9.837 -2.469
126 1HG GLN 66 2HG GLN 66 9.601 -8.911 -1.875
127 2HG GLN 66 3HG GLN 66 9.394 -8.384 -3.545
128 1HE2 GLN 66 1HE2 GLN 66 9.643 -12.463 -3.058
129 2HE2 GLN 66 2HE2 GLN 66 10.740 -11.462 -2.237
130 H SER 67 H SER 67 9.557 -6.979 -1.951
131 HA SER 67 HA SER 67 9.519 -4.553 -3.676
132 1HB SER 67 2HB SER 67 7.586 -5.288 -4.856
133 2HB SER 67 3HB SER 67 8.633 -6.704 -4.819
134 HG SER 67 HG SER 67 7.377 -7.009 -2.676
135 H TYR 68 H TYR 68 6.474 -4.673 -3.137
136 HA TYR 68 HA TYR 68 6.277 -4.444 -0.219
137 1HB TYR 68 2HB TYR 68 5.748 -2.008 -0.319
138 2HB TYR 68 3HB TYR 68 7.404 -2.361 -0.831
139 HD1 TYR 68 HD1 TYR 68 7.853 -2.633 -3.349
140 HD2 TYR 68 HD2 TYR 68 4.255 -0.897 -1.768
141 HE1 TYR 68 HE1 TYR 68 7.400 -1.571 -5.544
142 HE2 TYR 68 HE2 TYR 68 3.802 0.164 -3.963
143 HH TYR 68 HH TYR 68 5.729 0.824 -6.116
144 H ILE 69 H ILE 69 4.001 -3.621 0.357
145 HA ILE 69 HA ILE 69 1.978 -3.896 -1.781
146 HB ILE 69 HB ILE 69 2.702 -6.197 -0.948
147 1HG1 ILE 69 2HG1 ILE 69 0.166 -6.759 -0.329
148 2HG1 ILE 69 3HG1 ILE 69 -0.083 -5.106 -0.895
149 1HG2 ILE 69 3HG2 ILE 69 2.947 -5.369 1.445
150 2HG2 ILE 69 1HG2 ILE 69 1.186 -5.375 1.541
151 3HG2 ILE 69 2HG2 ILE 69 2.059 -6.882 1.261
152 1HD1 ILE 69 3HD1 ILE 69 1.635 -6.205 -2.791
153 2HD1 ILE 69 1HD1 ILE 69 0.509 -7.514 -2.432
154 3HD1 ILE 69 2HD1 ILE 69 -0.101 -5.955 -2.986
155 H CYS 70 H CYS 70 0.553 -2.251 -1.298
156 HA CYS 70 HA CYS 70 0.435 -1.200 1.457
157 1HB CYS 70 2HB CYS 70 -0.552 -0.415 -1.265
158 2HB CYS 70 3HB CYS 70 -1.213 0.369 0.171
159 H PHE 71 H PHE 71 -1.891 -0.559 2.178
160 HA PHE 71 HA PHE 71 -3.891 -2.679 1.535
161 1HB PHE 71 2HB PHE 71 -2.936 -1.822 4.293
162 2HB PHE 71 3HB PHE 71 -4.225 -2.989 3.976
163 HD1 PHE 71 HD1 PHE 71 -3.391 -4.767 1.997
164 HD2 PHE 71 HD2 PHE 71 -0.937 -2.817 4.935
165 HE1 PHE 71 HE1 PHE 71 -1.709 -6.577 1.794
166 HE2 PHE 71 HE2 PHE 71 0.745 -4.628 4.733
167 HZ PHE 71 HZ PHE 71 0.358 -6.509 3.162
168 H CYS 72 H CYS 72 -5.415 -1.559 3.940
169 HA CYS 72 HA CYS 72 -5.880 1.247 3.537
170 1HB CYS 72 2HB CYS 72 -6.898 -0.611 1.596
171 2HB CYS 72 3HB CYS 72 -8.248 0.179 2.411
172 H LEU 73 H LEU 73 -8.672 1.258 3.872
173 HA LEU 73 HA LEU 73 -8.908 0.216 6.649
174 1HB LEU 73 2HB LEU 73 -10.709 2.089 5.076
175 2HB LEU 73 3HB LEU 73 -10.609 1.928 6.829
176 HG LEU 73 HG LEU 73 -8.170 2.722 5.240
177 1HD1 LEU 73 3HD1 LEU 73 -10.116 4.250 4.681
178 2HD1 LEU 73 1HD1 LEU 73 -10.191 4.662 6.395
179 3HD1 LEU 73 2HD1 LEU 73 -8.747 5.049 5.458
180 1HD2 LEU 73 1HD2 LEU 73 -8.157 2.026 7.713
181 2HD2 LEU 73 2HD2 LEU 73 -7.431 3.589 7.339
182 3HD2 LEU 73 3HD2 LEU 73 -9.052 3.512 8.027
183 HA PRO 74 HA PRO 74 -12.087 -2.705 5.780
184 1HB PRO 74 2HB PRO 74 -14.346 -1.088 6.792
185 2HB PRO 74 3HB PRO 74 -13.708 -2.632 7.395
186 1HG PRO 74 2HG PRO 74 -13.366 -0.316 8.713
187 2HG PRO 74 3HG PRO 74 -12.172 -1.622 8.749
188 1HD PRO 74 2HD PRO 74 -12.111 0.950 7.257
189 2HD PRO 74 3HD PRO 74 -10.776 0.032 7.992
190 H ALA 75 H ALA 75 -12.337 0.399 4.416
191 HA ALA 75 HA ALA 75 -14.701 -0.176 2.752
192 1HB ALA 75 1HB ALA 75 -12.818 2.090 3.280
193 2HB ALA 75 2HB ALA 75 -13.755 2.117 1.787
194 3HB ALA 75 3HB ALA 75 -14.580 2.063 3.344
195 H PHE 76 H PHE 76 -11.207 -0.442 2.473
196 HA PHE 76 HA PHE 76 -11.571 -1.145 -0.417
197 1HB PHE 76 2HB PHE 76 -8.989 -0.086 0.711
198 2HB PHE 76 3HB PHE 76 -9.608 0.023 -0.937
199 HD1 PHE 76 HD1 PHE 76 -10.202 1.244 2.546
200 HD2 PHE 76 HD2 PHE 76 -10.835 1.912 -1.651
201 HE1 PHE 76 HE1 PHE 76 -11.158 3.477 3.045
202 HE2 PHE 76 HE2 PHE 76 -11.790 4.145 -1.152
203 HZ PHE 76 HZ PHE 76 -11.951 4.928 1.196
204 H GLU 77 H GLU 77 -9.441 -2.443 -1.122
205 HA GLU 77 HA GLU 77 -8.021 -4.056 0.743
206 1HB GLU 77 2HB GLU 77 -10.108 -4.941 1.470
207 2HB GLU 77 3HB GLU 77 -10.722 -5.053 -0.180
208 1HG GLU 77 2HG GLU 77 -9.763 -7.077 -0.509
209 2HG GLU 77 3HG GLU 77 -8.240 -6.562 0.218
210 H GLY 78 H GLY 78 -6.308 -4.620 -0.546
211 1HA GLY 78 2HA GLY 78 -6.188 -6.364 -2.628
212 2HA GLY 78 3HA GLY 78 -6.671 -4.881 -3.453
213 H ARG 79 H ARG 79 -4.310 -5.801 -4.273
214 HA ARG 79 HA ARG 79 -1.914 -5.375 -2.970
215 1HB ARG 79 2HB ARG 79 -2.864 -4.694 -5.758
216 2HB ARG 79 3HB ARG 79 -1.173 -4.504 -5.292
217 1HG ARG 79 2HG ARG 79 -1.037 -6.865 -4.681
218 2HG ARG 79 3HG ARG 79 -2.754 -7.079 -5.026
219 1HD ARG 79 2HD ARG 79 -0.850 -6.052 -7.143
220 2HD ARG 79 3HD ARG 79 -1.115 -7.789 -6.890
221 HE ARG 79 HE ARG 79 -3.656 -7.047 -7.043
222 1HH1 ARG 79 1HH2 ARG 79 -4.064 -4.659 -8.106
223 2HH1 ARG 79 2HH2 ARG 79 -3.636 -4.697 -9.785
224 1HH2 ARG 79 1HH1 ARG 79 -1.762 -7.601 -9.513
225 2HH2 ARG 79 2HH1 ARG 79 -2.333 -6.363 -10.580
226 H ASN 80 H ASN 80 -3.660 -2.791 -4.750
227 HA ASN 80 HA ASN 80 -2.211 -0.775 -3.067
228 1HB ASN 80 2HB ASN 80 -3.545 -0.670 -5.792
229 2HB ASN 80 3HB ASN 80 -2.862 0.740 -4.982
230 1HD2 ASN 80 1HD2 ASN 80 0.537 -0.298 -5.482
231 2HD2 ASN 80 2HD2 ASN 80 -0.473 0.643 -4.482
232 H CYS 81 H CYS 81 -4.953 -2.411 -2.852
233 HA CYS 81 HA CYS 81 -7.015 -1.979 -1.807
234 1HB CYS 81 2HB CYS 81 -6.156 -0.836 -0.040
235 2HB CYS 81 3HB CYS 81 -5.107 0.139 -1.049
236 H GLU 82 H GLU 82 -6.076 -0.732 -4.643
237 HA GLU 82 HA GLU 82 -7.785 1.441 -5.256
238 1HB GLU 82 2HB GLU 82 -6.121 0.819 -6.818
239 2HB GLU 82 3HB GLU 82 -6.599 -0.880 -6.779
240 1HG GLU 82 2HG GLU 82 -8.771 -0.242 -7.845
241 2HG GLU 82 3HG GLU 82 -8.172 1.411 -7.993
242 H THR 83 H THR 83 -8.550 -1.844 -4.516
243 HA THR 83 HA THR 83 -11.089 -1.942 -5.972
244 HB THR 83 HB THR 83 -9.691 -3.606 -3.867
245 HG1 THR 83 HG1 THR 83 -10.234 -3.777 -6.623
246 1HG2 THR 83 1HG2 THR 83 -12.515 -3.656 -4.742
247 2HG2 THR 83 2HG2 THR 83 -11.693 -5.215 -4.770
248 3HG2 THR 83 3HG2 THR 83 -11.780 -4.290 -3.271
249 H HIS 84 H HIS 84 -11.826 0.213 -4.984
250 HA HIS 84 HA HIS 84 -12.405 0.534 -2.212
251 1HB HIS 84 2HB HIS 84 -12.420 2.372 -3.787
252 2HB HIS 84 3HB HIS 84 -13.684 1.600 -4.746
253 HD1 HIS 84 HD1 HIS 84 -15.450 3.434 -4.387
254 HD2 HIS 84 HD2 HIS 84 -13.989 1.843 -0.822
255 HE1 HIS 84 HE1 HIS 84 -16.962 4.296 -2.547
256 H LYS 85 H LYS 85 -13.360 -1.418 -1.394
257 HA LYS 85 HA LYS 85 -15.382 -3.016 -2.373
258 1HB LYS 85 2HB LYS 85 -15.048 -1.859 0.416
259 2HB LYS 85 3HB LYS 85 -16.019 -3.285 0.036
260 1HG LYS 85 2HG LYS 85 -14.167 -4.595 -0.432
261 2HG LYS 85 3HG LYS 85 -13.176 -3.213 -0.902
262 1HD LYS 85 2HD LYS 85 -12.242 -3.399 1.153
263 2HD LYS 85 3HD LYS 85 -13.736 -2.676 1.750
264 1HE LYS 85 2HE LYS 85 -14.137 -5.508 1.303
265 2HE LYS 85 3HE LYS 85 -12.748 -5.246 2.376
266 1HZ LYS 85 1HZ LYS 85 -15.054 -3.521 2.793
267 2HZ LYS 85 2HZ LYS 85 -15.260 -5.146 3.233
268 3HZ LYS 85 3HZ LYS 85 -14.011 -4.229 3.930
No H/Q in entry = 268
Start of MODEL 11
1 1H SER 45 2H SER 45 13.085 2.947 -10.679
2 2H SER 45 1H SER 45 12.337 2.700 -12.185
3 3H SER 45 3H SER 45 13.254 4.103 -11.908
4 HA SER 45 HA SER 45 11.070 4.862 -11.695
5 1HB SER 45 2HB SER 45 10.529 2.241 -11.582
6 2HB SER 45 3HB SER 45 10.343 2.609 -9.869
7 HG SER 45 HG SER 45 8.434 2.858 -11.301
8 H ASP 46 H ASP 46 12.192 6.476 -10.442
9 HA ASP 46 HA ASP 46 13.308 6.368 -7.919
10 1HB ASP 46 2HB ASP 46 11.348 8.467 -8.897
11 2HB ASP 46 3HB ASP 46 12.668 8.713 -7.754
12 H GLY 47 H GLY 47 12.566 5.803 -5.904
13 1HA GLY 47 2HA GLY 47 10.794 6.111 -4.177
14 2HA GLY 47 3HA GLY 47 9.608 5.828 -5.454
15 H ASP 48 H ASP 48 12.034 4.290 -3.414
16 HA ASP 48 HA ASP 48 12.156 1.683 -4.305
17 1HB ASP 48 2HB ASP 48 12.119 3.077 -1.693
18 2HB ASP 48 3HB ASP 48 11.821 1.340 -1.615
19 H GLN 49 H GLN 49 10.035 1.867 -1.530
20 HA GLN 49 HA GLN 49 7.783 0.777 -3.173
21 1HB GLN 49 2HB GLN 49 8.449 -0.253 -0.439
22 2HB GLN 49 3HB GLN 49 7.563 -1.056 -1.726
23 1HG GLN 49 2HG GLN 49 10.541 -0.485 -1.667
24 2HG GLN 49 3HG GLN 49 9.771 -2.066 -1.534
25 1HE2 GLN 49 1HE2 GLN 49 8.511 -1.214 -5.099
26 2HE2 GLN 49 2HE2 GLN 49 7.698 -1.021 -3.618
27 H CYS 50 H CYS 50 8.363 1.506 0.284
28 HA CYS 50 HA CYS 50 5.709 2.712 0.550
29 1HB CYS 50 2HB CYS 50 7.996 1.880 2.215
30 2HB CYS 50 3HB CYS 50 7.140 3.294 2.832
31 H ALA 51 H ALA 51 8.608 3.849 -0.689
32 HA ALA 51 HA ALA 51 8.926 6.437 0.431
33 1HB ALA 51 1HB ALA 51 9.472 5.113 -2.212
34 2HB ALA 51 2HB ALA 51 9.781 6.840 -2.030
35 3HB ALA 51 3HB ALA 51 10.620 5.680 -0.999
36 H SER 52 H SER 52 6.908 5.369 -2.323
37 HA SER 52 HA SER 52 5.688 8.071 -2.503
38 1HB SER 52 2HB SER 52 6.479 6.725 -4.486
39 2HB SER 52 3HB SER 52 5.217 5.551 -4.126
40 HG SER 52 HG SER 52 4.491 8.239 -4.283
41 H SER 53 H SER 53 5.158 5.231 -0.789
42 HA SER 53 HA SER 53 3.318 4.543 0.533
43 1HB SER 53 2HB SER 53 3.229 7.231 0.441
44 2HB SER 53 3HB SER 53 1.727 6.885 -0.411
45 HG SER 53 HG SER 53 2.457 5.734 2.079
46 HA PRO 54 HA PRO 54 1.529 2.893 -3.405
47 1HB PRO 54 2HB PRO 54 1.250 0.359 -2.239
48 2HB PRO 54 3HB PRO 54 2.607 0.880 -3.258
49 1HG PRO 54 2HG PRO 54 2.427 0.668 -0.310
50 2HG PRO 54 3HG PRO 54 3.817 0.434 -1.380
51 1HD PRO 54 2HD PRO 54 3.498 2.645 0.151
52 2HD PRO 54 3HD PRO 54 4.333 2.670 -1.417
53 H CYS 55 H CYS 55 0.505 1.574 -0.226
54 HA CYS 55 HA CYS 55 -2.184 1.145 -0.647
55 1HB CYS 55 2HB CYS 55 -0.497 1.228 1.478
56 2HB CYS 55 3HB CYS 55 -1.485 2.653 1.817
57 H GLN 56 H GLN 56 -4.114 2.514 -0.252
58 HA GLN 56 HA GLN 56 -3.674 5.448 -0.477
59 1HB GLN 56 2HB GLN 56 -5.309 3.715 -2.354
60 2HB GLN 56 3HB GLN 56 -5.251 5.478 -2.404
61 1HG GLN 56 2HG GLN 56 -2.846 5.418 -2.826
62 2HG GLN 56 3HG GLN 56 -2.852 3.658 -2.705
63 1HE2 GLN 56 1HE2 GLN 56 -5.003 5.100 -5.900
64 2HE2 GLN 56 2HE2 GLN 56 -5.241 5.779 -4.354
65 H ASN 57 H ASN 57 -6.029 6.484 -0.555
66 HA ASN 57 HA ASN 57 -7.952 6.934 0.749
67 1HB ASN 57 2HB ASN 57 -8.193 3.918 0.540
68 2HB ASN 57 3HB ASN 57 -9.511 5.078 0.707
69 1HD2 ASN 57 1HD2 ASN 57 -7.994 4.300 -2.965
70 2HD2 ASN 57 2HD2 ASN 57 -7.454 3.472 -1.575
71 H GLY 58 H GLY 58 -5.995 7.153 2.486
72 1HA GLY 58 2HA GLY 58 -5.443 6.951 4.756
73 2HA GLY 58 3HA GLY 58 -7.044 6.243 4.981
74 H GLY 59 H GLY 59 -5.062 4.656 2.662
75 1HA GLY 59 2HA GLY 59 -4.898 2.305 4.430
76 2HA GLY 59 3HA GLY 59 -4.451 2.352 2.718
77 H SER 60 H SER 60 -2.827 1.238 4.874
78 HA SER 60 HA SER 60 -0.572 3.198 5.025
79 1HB SER 60 2HB SER 60 -1.536 2.152 7.096
80 2HB SER 60 3HB SER 60 -1.050 0.575 6.479
81 HG SER 60 HG SER 60 0.796 1.019 7.372
82 H CYS 61 H CYS 61 1.637 2.268 4.636
83 HA CYS 61 HA CYS 61 1.536 0.058 2.610
84 1HB CYS 61 2HB CYS 61 3.164 1.256 1.368
85 2HB CYS 61 3HB CYS 61 2.059 2.503 1.938
86 H LYS 62 H LYS 62 2.804 -1.706 3.056
87 HA LYS 62 HA LYS 62 4.511 -1.611 5.492
88 1HB LYS 62 2HB LYS 62 2.716 -3.345 5.081
89 2HB LYS 62 3HB LYS 62 3.695 -3.950 3.745
90 1HG LYS 62 2HG LYS 62 5.612 -4.114 5.465
91 2HG LYS 62 3HG LYS 62 4.354 -3.942 6.689
92 1HD LYS 62 2HD LYS 62 3.357 -5.855 4.895
93 2HD LYS 62 3HD LYS 62 5.059 -6.270 5.106
94 1HE LYS 62 2HE LYS 62 4.180 -5.632 7.692
95 2HE LYS 62 3HE LYS 62 2.865 -6.594 6.988
96 1HZ LYS 62 3HZ LYS 62 4.834 -7.994 6.063
97 2HZ LYS 62 1HZ LYS 62 5.692 -7.312 7.362
98 3HZ LYS 62 2HZ LYS 62 4.303 -8.239 7.658
99 H ASP 63 H ASP 63 6.731 -1.955 5.396
100 HA ASP 63 HA ASP 63 7.929 -2.150 2.653
101 1HB ASP 63 2HB ASP 63 8.425 -0.041 3.644
102 2HB ASP 63 3HB ASP 63 8.734 -0.770 5.220
103 H GLN 64 H GLN 64 8.494 -4.299 2.411
104 HA GLN 64 HA GLN 64 9.809 -5.676 4.719
105 1HB GLN 64 2HB GLN 64 9.259 -7.437 2.518
106 2HB GLN 64 3HB GLN 64 8.520 -7.431 4.115
107 1HG GLN 64 2HG GLN 64 6.899 -5.710 3.332
108 2HG GLN 64 3HG GLN 64 7.614 -5.800 1.722
109 1HE2 GLN 64 1HE2 GLN 64 4.682 -8.153 1.880
110 2HE2 GLN 64 2HE2 GLN 64 4.870 -6.477 2.142
111 H LEU 65 H LEU 65 11.516 -7.358 3.853
112 HA LEU 65 HA LEU 65 13.540 -5.824 2.392
113 1HB LEU 65 2HB LEU 65 13.767 -7.402 4.440
114 2HB LEU 65 3HB LEU 65 13.692 -8.708 3.256
115 HG LEU 65 HG LEU 65 15.531 -6.622 2.406
116 1HD1 LEU 65 3HD1 LEU 65 15.800 -6.297 4.845
117 2HD1 LEU 65 1HD1 LEU 65 16.113 -8.021 5.036
118 3HD1 LEU 65 2HD1 LEU 65 17.245 -7.014 4.133
119 1HD2 LEU 65 1HD2 LEU 65 15.203 -9.213 1.859
120 2HD2 LEU 65 2HD2 LEU 65 16.790 -8.452 1.749
121 3HD2 LEU 65 3HD2 LEU 65 16.360 -9.393 3.177
122 H GLN 66 H GLN 66 11.126 -8.106 1.594
123 HA GLN 66 HA GLN 66 12.519 -8.927 -0.916
124 1HB GLN 66 2HB GLN 66 10.582 -10.550 -0.989
125 2HB GLN 66 3HB GLN 66 11.589 -10.702 0.451
126 1HG GLN 66 2HG GLN 66 9.471 -8.735 0.824
127 2HG GLN 66 3HG GLN 66 8.822 -10.323 0.411
128 1HE2 GLN 66 1HE2 GLN 66 10.691 -11.778 3.314
129 2HE2 GLN 66 2HE2 GLN 66 10.734 -12.013 1.633
130 H SER 67 H SER 67 9.881 -6.984 0.297
131 HA SER 67 HA SER 67 9.521 -5.578 -2.184
132 1HB SER 67 2HB SER 67 7.518 -6.607 -2.991
133 2HB SER 67 3HB SER 67 8.595 -7.945 -2.602
134 HG SER 67 HG SER 67 6.434 -8.161 -1.758
135 H TYR 68 H TYR 68 6.458 -5.605 -1.436
136 HA TYR 68 HA TYR 68 6.435 -4.333 1.211
137 1HB TYR 68 2HB TYR 68 5.708 -2.134 0.245
138 2HB TYR 68 3HB TYR 68 7.364 -2.567 -0.200
139 HD1 TYR 68 HD1 TYR 68 7.906 -3.323 -2.471
140 HD2 TYR 68 HD2 TYR 68 3.909 -2.171 -1.396
141 HE1 TYR 68 HE1 TYR 68 7.290 -3.217 -4.872
142 HE2 TYR 68 HE2 TYR 68 3.295 -2.061 -3.796
143 HH TYR 68 HH TYR 68 4.148 -1.997 -5.910
144 H ILE 69 H ILE 69 4.248 -4.055 1.964
145 HA ILE 69 HA ILE 69 2.084 -4.878 0.079
146 HB ILE 69 HB ILE 69 3.066 -6.211 2.579
147 1HG1 ILE 69 2HG1 ILE 69 2.075 -7.072 -0.149
148 2HG1 ILE 69 3HG1 ILE 69 3.719 -7.186 0.481
149 1HG2 ILE 69 3HG2 ILE 69 0.671 -5.605 2.995
150 2HG2 ILE 69 1HG2 ILE 69 0.233 -6.460 1.516
151 3HG2 ILE 69 2HG2 ILE 69 0.927 -7.345 2.875
152 1HD1 ILE 69 3HD1 ILE 69 2.761 -8.684 2.315
153 2HD1 ILE 69 1HD1 ILE 69 1.288 -8.754 1.349
154 3HD1 ILE 69 2HD1 ILE 69 2.803 -9.377 0.693
155 H CYS 70 H CYS 70 0.493 -3.374 0.235
156 HA CYS 70 HA CYS 70 0.360 -1.497 2.450
157 1HB CYS 70 2HB CYS 70 -0.313 -0.404 0.593
158 2HB CYS 70 3HB CYS 70 -0.630 -1.907 -0.236
159 H PHE 71 H PHE 71 -1.895 -1.111 3.427
160 HA PHE 71 HA PHE 71 -3.519 -3.555 3.827
161 1HB PHE 71 2HB PHE 71 -1.909 -2.100 5.941
162 2HB PHE 71 3HB PHE 71 -3.239 -3.195 6.333
163 HD1 PHE 71 HD1 PHE 71 -3.145 -5.564 5.189
164 HD2 PHE 71 HD2 PHE 71 0.246 -2.976 5.691
165 HE1 PHE 71 HE1 PHE 71 -1.625 -7.507 4.938
166 HE2 PHE 71 HE2 PHE 71 1.766 -4.919 5.438
167 HZ PHE 71 HZ PHE 71 0.831 -7.185 5.062
168 H CYS 72 H CYS 72 -4.935 -1.965 2.634
169 HA CYS 72 HA CYS 72 -5.771 0.515 3.846
170 1HB CYS 72 2HB CYS 72 -6.063 -0.860 1.453
171 2HB CYS 72 3HB CYS 72 -7.701 -0.852 2.115
172 H LEU 73 H LEU 73 -8.636 0.106 3.597
173 HA LEU 73 HA LEU 73 -9.136 -1.515 6.071
174 1HB LEU 73 2HB LEU 73 -10.715 0.861 5.051
175 2HB LEU 73 3HB LEU 73 -10.703 0.190 6.682
176 HG LEU 73 HG LEU 73 -8.260 1.424 5.370
177 1HD1 LEU 73 3HD1 LEU 73 -10.144 3.063 5.711
178 2HD1 LEU 73 1HD1 LEU 73 -10.112 2.665 7.429
179 3HD1 LEU 73 2HD1 LEU 73 -8.709 3.420 6.672
180 1HD2 LEU 73 1HD2 LEU 73 -8.089 -0.281 7.307
181 2HD2 LEU 73 2HD2 LEU 73 -7.267 1.264 7.522
182 3HD2 LEU 73 3HD2 LEU 73 -8.819 0.974 8.308
183 HA PRO 74 HA PRO 74 -12.370 -3.747 4.104
184 1HB PRO 74 2HB PRO 74 -14.602 -2.407 5.498
185 2HB PRO 74 3HB PRO 74 -14.069 -4.098 5.598
186 1HG PRO 74 2HG PRO 74 -13.708 -2.336 7.603
187 2HG PRO 74 3HG PRO 74 -12.592 -3.673 7.282
188 1HD PRO 74 2HD PRO 74 -12.286 -0.773 6.693
189 2HD PRO 74 3HD PRO 74 -11.058 -1.975 7.156
190 H ALA 75 H ALA 75 -12.357 -0.358 3.889
191 HA ALA 75 HA ALA 75 -14.596 -0.175 1.964
192 1HB ALA 75 1HB ALA 75 -12.692 1.691 3.367
193 2HB ALA 75 2HB ALA 75 -13.661 2.270 2.010
194 3HB ALA 75 3HB ALA 75 -14.453 1.641 3.455
195 H PHE 76 H PHE 76 -11.562 -1.343 1.650
196 HA PHE 76 HA PHE 76 -11.394 -0.490 -1.185
197 1HB PHE 76 2HB PHE 76 -9.063 -0.229 0.729
198 2HB PHE 76 3HB PHE 76 -9.165 0.374 -0.928
199 HD1 PHE 76 HD1 PHE 76 -10.618 2.298 -1.483
200 HD2 PHE 76 HD2 PHE 76 -10.116 0.944 2.563
201 HE1 PHE 76 HE1 PHE 76 -11.581 4.426 -0.651
202 HE2 PHE 76 HE2 PHE 76 -11.078 3.073 3.394
203 HZ PHE 76 HZ PHE 76 -11.811 4.814 1.789
204 H GLU 77 H GLU 77 -9.307 -1.680 -2.147
205 HA GLU 77 HA GLU 77 -8.383 -4.108 -0.917
206 1HB GLU 77 2HB GLU 77 -10.994 -4.293 -1.458
207 2HB GLU 77 3HB GLU 77 -10.383 -4.704 -3.062
208 1HG GLU 77 2HG GLU 77 -9.508 -6.059 -0.493
209 2HG GLU 77 3HG GLU 77 -10.705 -6.713 -1.612
210 H GLY 78 H GLY 78 -6.656 -4.870 -2.137
211 1HA GLY 78 2HA GLY 78 -6.034 -5.383 -4.609
212 2HA GLY 78 3HA GLY 78 -6.301 -3.655 -4.841
213 H ARG 79 H ARG 79 -3.823 -4.553 -5.476
214 HA ARG 79 HA ARG 79 -1.782 -4.842 -3.637
215 1HB ARG 79 2HB ARG 79 -1.858 -2.983 -6.038
216 2HB ARG 79 3HB ARG 79 -0.399 -3.657 -5.310
217 1HG ARG 79 2HG ARG 79 -1.478 -5.964 -5.725
218 2HG ARG 79 3HG ARG 79 -2.590 -5.108 -6.795
219 1HD ARG 79 2HD ARG 79 0.441 -5.181 -7.033
220 2HD ARG 79 3HD ARG 79 -0.730 -5.912 -8.147
221 HE ARG 79 HE ARG 79 -0.474 -2.962 -7.699
222 1HH1 ARG 79 1HH2 ARG 79 -2.899 -2.880 -8.860
223 2HH1 ARG 79 2HH2 ARG 79 -2.707 -3.220 -10.548
224 1HH2 ARG 79 1HH1 ARG 79 0.438 -4.633 -10.176
225 2HH2 ARG 79 2HH1 ARG 79 -0.817 -4.213 -11.292
226 H ASN 80 H ASN 80 -3.328 -1.754 -4.564
227 HA ASN 80 HA ASN 80 -2.063 -0.500 -2.144
228 1HB ASN 80 2HB ASN 80 -2.977 0.747 -4.760
229 2HB ASN 80 3HB ASN 80 -2.129 1.577 -3.456
230 1HD2 ASN 80 1HD2 ASN 80 0.742 -0.858 -4.216
231 2HD2 ASN 80 2HD2 ASN 80 -0.394 -0.855 -2.944
232 H CYS 81 H CYS 81 -4.909 -1.754 -3.222
233 HA CYS 81 HA CYS 81 -7.110 -1.536 -2.412
234 1HB CYS 81 2HB CYS 81 -6.955 -1.051 -0.212
235 2HB CYS 81 3HB CYS 81 -5.326 -0.455 -0.486
236 H GLU 82 H GLU 82 -5.530 0.552 -4.311
237 HA GLU 82 HA GLU 82 -6.957 2.992 -4.335
238 1HB GLU 82 2HB GLU 82 -5.043 2.753 -5.713
239 2HB GLU 82 3HB GLU 82 -5.644 1.253 -6.429
240 1HG GLU 82 2HG GLU 82 -7.461 2.524 -7.534
241 2HG GLU 82 3HG GLU 82 -6.820 4.018 -6.851
242 H THR 83 H THR 83 -8.026 -0.206 -5.101
243 HA THR 83 HA THR 83 -10.242 0.590 -6.843
244 HB THR 83 HB THR 83 -9.308 -1.920 -5.446
245 HG1 THR 83 HG1 THR 83 -8.273 -1.925 -7.264
246 1HG2 THR 83 1HG2 THR 83 -11.998 -1.307 -6.297
247 2HG2 THR 83 2HG2 THR 83 -11.327 -2.598 -7.294
248 3HG2 THR 83 3HG2 THR 83 -11.384 -2.776 -5.540
249 H HIS 84 H HIS 84 -11.015 2.256 -5.147
250 HA HIS 84 HA HIS 84 -12.013 1.785 -2.615
251 1HB HIS 84 2HB HIS 84 -12.083 3.909 -3.924
252 2HB HIS 84 3HB HIS 84 -13.414 3.250 -4.875
253 HD1 HIS 84 HD1 HIS 84 -13.863 5.776 -3.157
254 HD2 HIS 84 HD2 HIS 84 -14.626 1.905 -1.813
255 HE1 HIS 84 HE1 HIS 84 -15.540 5.991 -1.271
256 H LYS 85 H LYS 85 -13.015 -0.157 -2.087
257 HA LYS 85 HA LYS 85 -14.573 -1.877 -3.581
258 1HB LYS 85 2HB LYS 85 -14.837 -0.926 -0.716
259 2HB LYS 85 3HB LYS 85 -15.743 -2.305 -1.347
260 1HG LYS 85 2HG LYS 85 -13.659 -3.442 -1.939
261 2HG LYS 85 3HG LYS 85 -12.721 -2.047 -1.406
262 1HD LYS 85 2HD LYS 85 -12.897 -2.622 0.778
263 2HD LYS 85 3HD LYS 85 -14.608 -3.021 0.621
264 1HE LYS 85 2HE LYS 85 -12.576 -4.861 -0.615
265 2HE LYS 85 3HE LYS 85 -12.882 -4.951 1.130
266 1HZ LYS 85 3HZ LYS 85 -15.296 -4.984 0.582
267 2HZ LYS 85 1HZ LYS 85 -14.883 -5.153 -1.055
268 3HZ LYS 85 2HZ LYS 85 -14.453 -6.363 0.058
No H/Q in entry = 268
Start of MODEL 12
1 1H SER 45 1H SER 45 15.651 4.521 -7.407
2 2H SER 45 3H SER 45 14.469 3.386 -7.854
3 3H SER 45 2H SER 45 14.485 4.928 -8.567
4 HA SER 45 HA SER 45 13.603 5.965 -6.725
5 1HB SER 45 2HB SER 45 12.601 3.102 -6.625
6 2HB SER 45 3HB SER 45 11.712 4.532 -6.109
7 HG SER 45 HG SER 45 11.311 3.683 -8.314
8 H ASP 46 H ASP 46 12.577 4.197 -4.466
9 HA ASP 46 HA ASP 46 15.058 4.329 -2.805
10 1HB ASP 46 2HB ASP 46 12.108 4.234 -2.089
11 2HB ASP 46 3HB ASP 46 13.431 4.473 -0.947
12 H GLY 47 H GLY 47 14.522 2.641 -0.774
13 1HA GLY 47 2HA GLY 47 14.324 -0.015 -2.123
14 2HA GLY 47 3HA GLY 47 15.208 0.286 -0.627
15 H ASP 48 H ASP 48 13.052 1.950 0.506
16 HA ASP 48 HA ASP 48 11.525 -0.139 1.794
17 1HB ASP 48 2HB ASP 48 11.105 2.867 1.687
18 2HB ASP 48 3HB ASP 48 10.483 1.774 2.924
19 H GLN 49 H GLN 49 11.080 1.710 -1.090
20 HA GLN 49 HA GLN 49 9.446 1.589 -2.757
21 1HB GLN 49 2HB GLN 49 9.043 -0.738 -1.045
22 2HB GLN 49 3HB GLN 49 7.567 -0.224 -1.866
23 1HG GLN 49 2HG GLN 49 8.369 -0.848 -3.894
24 2HG GLN 49 3HG GLN 49 9.945 -0.119 -3.572
25 1HE2 GLN 49 1HE2 GLN 49 10.911 -3.216 -1.683
26 2HE2 GLN 49 2HE2 GLN 49 10.707 -1.578 -1.256
27 H CYS 50 H CYS 50 8.350 2.028 0.584
28 HA CYS 50 HA CYS 50 5.759 3.122 -0.214
29 1HB CYS 50 2HB CYS 50 6.060 1.926 1.893
30 2HB CYS 50 3HB CYS 50 7.327 3.050 2.384
31 H ALA 51 H ALA 51 8.734 4.307 -0.720
32 HA ALA 51 HA ALA 51 8.782 6.910 0.447
33 1HB ALA 51 3HB ALA 51 10.581 5.565 -0.803
34 2HB ALA 51 1HB ALA 51 9.820 6.135 -2.288
35 3HB ALA 51 2HB ALA 51 10.516 7.292 -1.154
36 H SER 52 H SER 52 6.882 5.590 -2.151
37 HA SER 52 HA SER 52 6.081 8.329 -3.048
38 1HB SER 52 2HB SER 52 6.799 6.024 -4.398
39 2HB SER 52 3HB SER 52 5.040 5.966 -4.462
40 HG SER 52 HG SER 52 5.470 8.387 -5.001
41 H SER 53 H SER 53 5.090 5.876 -0.965
42 HA SER 53 HA SER 53 3.071 5.601 0.241
43 1HB SER 53 2HB SER 53 1.989 7.936 -1.324
44 2HB SER 53 3HB SER 53 1.694 7.506 0.359
45 HG SER 53 HG SER 53 3.567 8.375 0.922
46 HA PRO 54 HA PRO 54 1.543 3.635 -3.724
47 1HB PRO 54 2HB PRO 54 1.564 1.229 -2.012
48 2HB PRO 54 3HB PRO 54 2.285 1.479 -3.609
49 1HG PRO 54 2HG PRO 54 3.742 1.278 -1.351
50 2HG PRO 54 3HG PRO 54 4.253 2.206 -2.768
51 1HD PRO 54 2HD PRO 54 3.209 3.158 -0.170
52 2HD PRO 54 3HD PRO 54 4.343 3.934 -1.294
53 H CYS 55 H CYS 55 0.598 2.369 -0.497
54 HA CYS 55 HA CYS 55 -2.126 1.903 -1.030
55 1HB CYS 55 2HB CYS 55 -0.412 1.705 1.089
56 2HB CYS 55 3HB CYS 55 -1.428 3.047 1.615
57 H GLN 56 H GLN 56 -3.999 3.220 -0.807
58 HA GLN 56 HA GLN 56 -3.573 6.144 -0.413
59 1HB GLN 56 2HB GLN 56 -5.065 4.741 -2.652
60 2HB GLN 56 3HB GLN 56 -5.062 6.486 -2.396
61 1HG GLN 56 2HG GLN 56 -2.760 6.674 -2.884
62 2HG GLN 56 3HG GLN 56 -2.488 4.944 -2.670
63 1HE2 GLN 56 1HE2 GLN 56 -3.942 4.118 -5.900
64 2HE2 GLN 56 2HE2 GLN 56 -3.873 3.536 -4.298
65 H ASN 57 H ASN 57 -6.031 7.117 -0.565
66 HA ASN 57 HA ASN 57 -8.078 7.283 0.601
67 1HB ASN 57 2HB ASN 57 -7.973 4.265 0.306
68 2HB ASN 57 3HB ASN 57 -9.420 5.262 0.458
69 1HD2 ASN 57 1HD2 ASN 57 -8.155 4.535 -3.201
70 2HD2 ASN 57 2HD2 ASN 57 -7.901 3.547 -1.834
71 H GLY 58 H GLY 58 -5.698 7.163 2.221
72 1HA GLY 58 2HA GLY 58 -5.278 7.074 4.540
73 2HA GLY 58 3HA GLY 58 -6.901 6.421 4.763
74 H GLY 59 H GLY 59 -4.867 4.820 2.460
75 1HA GLY 59 2HA GLY 59 -4.821 2.445 4.221
76 2HA GLY 59 3HA GLY 59 -4.385 2.472 2.508
77 H SER 60 H SER 60 -2.912 1.530 5.027
78 HA SER 60 HA SER 60 -0.584 3.321 5.184
79 1HB SER 60 2HB SER 60 -1.819 1.552 6.859
80 2HB SER 60 3HB SER 60 -0.481 0.568 6.273
81 HG SER 60 HG SER 60 0.200 1.738 8.059
82 H CYS 61 H CYS 61 1.644 2.034 5.024
83 HA CYS 61 HA CYS 61 1.602 0.318 2.563
84 1HB CYS 61 2HB CYS 61 3.472 1.622 1.722
85 2HB CYS 61 3HB CYS 61 2.188 2.743 2.176
86 H LYS 62 H LYS 62 2.940 -1.483 2.715
87 HA LYS 62 HA LYS 62 4.640 -1.686 5.180
88 1HB LYS 62 2HB LYS 62 2.597 -3.183 4.776
89 2HB LYS 62 3HB LYS 62 3.531 -3.919 3.475
90 1HG LYS 62 2HG LYS 62 4.621 -5.201 4.961
91 2HG LYS 62 3HG LYS 62 5.202 -3.756 5.790
92 1HD LYS 62 2HD LYS 62 2.858 -3.670 6.872
93 2HD LYS 62 3HD LYS 62 2.692 -5.339 6.325
94 1HE LYS 62 2HE LYS 62 5.253 -4.751 7.691
95 2HE LYS 62 3HE LYS 62 3.811 -4.653 8.723
96 1HZ LYS 62 1HZ LYS 62 3.937 -6.856 6.814
97 2HZ LYS 62 2HZ LYS 62 4.972 -6.956 8.153
98 3HZ LYS 62 3HZ LYS 62 3.294 -6.819 8.386
99 H ASP 63 H ASP 63 6.797 -2.311 4.929
100 HA ASP 63 HA ASP 63 7.804 -2.463 2.114
101 1HB ASP 63 2HB ASP 63 8.621 -0.612 3.506
102 2HB ASP 63 3HB ASP 63 9.130 -1.753 4.752
103 H GLN 64 H GLN 64 7.908 -4.651 1.595
104 HA GLN 64 HA GLN 64 9.074 -6.501 3.640
105 1HB GLN 64 2HB GLN 64 7.971 -7.880 1.378
106 2HB GLN 64 3HB GLN 64 7.393 -7.883 3.040
107 1HG GLN 64 2HG GLN 64 6.254 -5.639 2.460
108 2HG GLN 64 3HG GLN 64 6.570 -6.060 0.776
109 1HE2 GLN 64 1HE2 GLN 64 3.946 -8.423 2.904
110 2HE2 GLN 64 2HE2 GLN 64 5.179 -7.590 3.742
111 H LEU 65 H LEU 65 10.302 -8.388 2.489
112 HA LEU 65 HA LEU 65 12.631 -7.372 1.225
113 1HB LEU 65 2HB LEU 65 11.343 -10.044 1.636
114 2HB LEU 65 3HB LEU 65 12.781 -9.935 0.619
115 HG LEU 65 HG LEU 65 13.455 -8.395 2.822
116 1HD1 LEU 65 1HD1 LEU 65 11.628 -10.649 3.596
117 2HD1 LEU 65 2HD1 LEU 65 12.981 -10.234 4.647
118 3HD1 LEU 65 3HD1 LEU 65 11.748 -9.029 4.281
119 1HD2 LEU 65 3HD2 LEU 65 13.978 -11.345 2.326
120 2HD2 LEU 65 1HD2 LEU 65 14.894 -10.008 1.629
121 3HD2 LEU 65 2HD2 LEU 65 14.941 -10.297 3.368
122 H GLN 66 H GLN 66 10.575 -9.743 -0.345
123 HA GLN 66 HA GLN 66 11.254 -9.450 -2.977
124 1HB GLN 66 2HB GLN 66 8.855 -10.050 -3.451
125 2HB GLN 66 3HB GLN 66 9.582 -11.022 -2.172
126 1HG GLN 66 2HG GLN 66 8.562 -9.566 -0.469
127 2HG GLN 66 3HG GLN 66 7.848 -8.572 -1.738
128 1HE2 GLN 66 1HE2 GLN 66 5.955 -11.925 -0.586
129 2HE2 GLN 66 2HE2 GLN 66 7.289 -11.292 0.251
130 H SER 67 H SER 67 9.083 -7.265 -1.190
131 HA SER 67 HA SER 67 9.751 -4.989 -2.817
132 1HB SER 67 2HB SER 67 8.471 -6.441 -4.427
133 2HB SER 67 3HB SER 67 7.069 -6.296 -3.371
134 HG SER 67 HG SER 67 6.732 -4.576 -4.553
135 H TYR 68 H TYR 68 6.434 -4.806 -2.376
136 HA TYR 68 HA TYR 68 6.458 -4.223 0.511
137 1HB TYR 68 2HB TYR 68 6.078 -1.851 0.225
138 2HB TYR 68 3HB TYR 68 7.515 -2.275 -0.705
139 HD1 TYR 68 HD1 TYR 68 7.454 -2.366 -3.156
140 HD2 TYR 68 HD2 TYR 68 3.974 -1.293 -0.879
141 HE1 TYR 68 HE1 TYR 68 6.369 -1.519 -5.216
142 HE2 TYR 68 HE2 TYR 68 2.888 -0.445 -2.940
143 HH TYR 68 HH TYR 68 3.009 -0.612 -5.283
144 H ILE 69 H ILE 69 4.315 -4.082 1.333
145 HA ILE 69 HA ILE 69 2.123 -4.427 -0.679
146 HB ILE 69 HB ILE 69 2.862 -6.552 0.339
147 1HG1 ILE 69 2HG1 ILE 69 0.233 -5.783 1.603
148 2HG1 ILE 69 3HG1 ILE 69 0.397 -5.965 -0.146
149 1HG2 ILE 69 3HG2 ILE 69 3.714 -5.537 2.452
150 2HG2 ILE 69 1HG2 ILE 69 2.046 -5.267 2.959
151 3HG2 ILE 69 2HG2 ILE 69 2.646 -6.909 2.740
152 1HD1 ILE 69 1HD1 ILE 69 1.666 -8.172 1.205
153 2HD1 ILE 69 2HD1 ILE 69 -0.008 -8.018 1.741
154 3HD1 ILE 69 3HD1 ILE 69 0.355 -8.203 0.025
155 H CYS 70 H CYS 70 0.579 -2.883 -0.389
156 HA CYS 70 HA CYS 70 0.580 -1.148 1.935
157 1HB CYS 70 2HB CYS 70 -0.122 0.119 0.213
158 2HB CYS 70 3HB CYS 70 -0.349 -1.302 -0.763
159 H PHE 71 H PHE 71 -1.671 -0.688 2.930
160 HA PHE 71 HA PHE 71 -3.344 -3.120 3.284
161 1HB PHE 71 2HB PHE 71 -1.602 -1.735 5.311
162 2HB PHE 71 3HB PHE 71 -3.098 -2.512 5.844
163 HD1 PHE 71 HD1 PHE 71 -3.480 -4.963 5.236
164 HD2 PHE 71 HD2 PHE 71 0.328 -3.018 4.834
165 HE1 PHE 71 HE1 PHE 71 -2.360 -7.174 5.167
166 HE2 PHE 71 HE2 PHE 71 1.450 -5.229 4.765
167 HZ PHE 71 HZ PHE 71 0.105 -7.307 4.931
168 H CYS 72 H CYS 72 -5.138 -2.015 2.406
169 HA CYS 72 HA CYS 72 -5.835 0.701 3.224
170 1HB CYS 72 2HB CYS 72 -7.590 -1.329 1.838
171 2HB CYS 72 3HB CYS 72 -7.595 0.423 1.645
172 H LEU 73 H LEU 73 -8.643 0.388 3.457
173 HA LEU 73 HA LEU 73 -8.847 -0.839 6.183
174 1HB LEU 73 2HB LEU 73 -10.693 1.215 4.950
175 2HB LEU 73 3HB LEU 73 -10.393 0.902 6.659
176 HG LEU 73 HG LEU 73 -8.294 1.975 4.753
177 1HD1 LEU 73 1HD1 LEU 73 -10.152 3.392 6.684
178 2HD1 LEU 73 2HD1 LEU 73 -8.690 4.129 6.030
179 3HD1 LEU 73 3HD1 LEU 73 -10.002 3.664 4.947
180 1HD2 LEU 73 1HD2 LEU 73 -7.653 0.696 6.898
181 2HD2 LEU 73 2HD2 LEU 73 -6.970 2.311 6.703
182 3HD2 LEU 73 3HD2 LEU 73 -8.347 2.059 7.776
183 HA PRO 74 HA PRO 74 -12.151 -3.508 5.062
184 1HB PRO 74 2HB PRO 74 -14.289 -1.940 6.374
185 2HB PRO 74 3HB PRO 74 -13.703 -3.574 6.747
186 1HG PRO 74 2HG PRO 74 -13.195 -1.458 8.329
187 2HG PRO 74 3HG PRO 74 -12.074 -2.815 8.152
188 1HD PRO 74 2HD PRO 74 -11.922 -0.079 7.000
189 2HD PRO 74 3HD PRO 74 -10.616 -1.156 7.545
190 H ALA 75 H ALA 75 -12.364 -0.206 4.224
191 HA ALA 75 HA ALA 75 -14.764 -0.435 2.544
192 1HB ALA 75 1HB ALA 75 -12.793 1.617 3.407
193 2HB ALA 75 2HB ALA 75 -13.576 1.901 1.853
194 3HB ALA 75 3HB ALA 75 -14.551 1.722 3.312
195 H PHE 76 H PHE 76 -11.241 -0.411 2.099
196 HA PHE 76 HA PHE 76 -11.660 -0.926 -0.818
197 1HB PHE 76 2HB PHE 76 -9.104 -0.061 0.550
198 2HB PHE 76 3HB PHE 76 -9.546 0.122 -1.150
199 HD1 PHE 76 HD1 PHE 76 -10.221 1.327 2.291
200 HD2 PHE 76 HD2 PHE 76 -10.917 1.949 -1.901
201 HE1 PHE 76 HE1 PHE 76 -11.189 3.556 2.784
202 HE2 PHE 76 HE2 PHE 76 -11.886 4.178 -1.410
203 HZ PHE 76 HZ PHE 76 -12.021 4.982 0.933
204 H GLU 77 H GLU 77 -9.648 -2.290 -1.679
205 HA GLU 77 HA GLU 77 -8.457 -4.214 0.132
206 1HB GLU 77 2HB GLU 77 -9.847 -6.149 -0.724
207 2HB GLU 77 3HB GLU 77 -10.742 -5.005 0.278
208 1HG GLU 77 2HG GLU 77 -11.822 -4.035 -1.584
209 2HG GLU 77 3HG GLU 77 -10.651 -4.703 -2.721
210 H GLY 78 H GLY 78 -6.793 -3.192 -1.400
211 1HA GLY 78 2HA GLY 78 -6.321 -5.055 -3.630
212 2HA GLY 78 3HA GLY 78 -6.516 -3.363 -4.093
213 H ARG 79 H ARG 79 -4.109 -4.414 -4.686
214 HA ARG 79 HA ARG 79 -2.074 -4.448 -2.728
215 1HB ARG 79 2HB ARG 79 -2.089 -3.532 -5.621
216 2HB ARG 79 3HB ARG 79 -0.622 -3.871 -4.700
217 1HG ARG 79 2HG ARG 79 -2.847 -5.896 -5.022
218 2HG ARG 79 3HG ARG 79 -1.487 -5.792 -6.141
219 1HD ARG 79 2HD ARG 79 0.097 -6.314 -4.414
220 2HD ARG 79 3HD ARG 79 -1.123 -6.099 -3.143
221 HE ARG 79 HE ARG 79 -1.696 -8.137 -5.217
222 1HH1 ARG 79 1HH1 ARG 79 -2.980 -7.822 -2.442
223 2HH1 ARG 79 2HH1 ARG 79 -2.274 -9.166 -1.608
224 1HH2 ARG 79 1HH2 ARG 79 0.217 -9.664 -3.968
225 2HH2 ARG 79 2HH2 ARG 79 -0.464 -10.208 -2.472
226 H ASN 80 H ASN 80 -3.949 -1.792 -3.873
227 HA ASN 80 HA ASN 80 -2.414 0.068 -2.153
228 1HB ASN 80 2HB ASN 80 -2.549 0.084 -5.151
229 2HB ASN 80 3HB ASN 80 -2.503 1.631 -4.302
230 1HD2 ASN 80 1HD2 ASN 80 0.948 -0.204 -4.842
231 2HD2 ASN 80 2HD2 ASN 80 -0.445 -0.394 -5.807
232 H CYS 81 H CYS 81 -5.165 -1.130 -2.287
233 HA CYS 81 HA CYS 81 -7.355 -0.363 -1.809
234 1HB CYS 81 2HB CYS 81 -6.221 2.431 -2.064
235 2HB CYS 81 3HB CYS 81 -7.552 1.883 -1.047
236 H GLU 82 H GLU 82 -5.777 -0.102 -4.633
237 HA GLU 82 HA GLU 82 -7.363 1.729 -6.186
238 1HB GLU 82 2HB GLU 82 -5.336 1.137 -7.156
239 2HB GLU 82 3HB GLU 82 -5.454 -0.541 -6.623
240 1HG GLU 82 2HG GLU 82 -7.286 -0.890 -8.295
241 2HG GLU 82 3HG GLU 82 -7.021 0.755 -8.876
242 H THR 83 H THR 83 -8.181 -1.209 -4.714
243 HA THR 83 HA THR 83 -10.316 -1.785 -6.734
244 HB THR 83 HB THR 83 -8.990 -3.415 -4.547
245 HG1 THR 83 HG1 THR 83 -7.987 -3.003 -6.680
246 1HG2 THR 83 3HG2 THR 83 -11.612 -3.682 -5.553
247 2HG2 THR 83 1HG2 THR 83 -10.657 -4.933 -6.349
248 3HG2 THR 83 2HG2 THR 83 -10.716 -4.854 -4.588
249 H HIS 84 H HIS 84 -11.077 0.359 -5.358
250 HA HIS 84 HA HIS 84 -12.094 0.291 -2.779
251 1HB HIS 84 2HB HIS 84 -12.280 2.258 -4.113
252 2HB HIS 84 3HB HIS 84 -13.175 1.408 -5.373
253 HD1 HIS 84 HD1 HIS 84 -15.535 2.200 -5.329
254 HD2 HIS 84 HD2 HIS 84 -13.998 1.765 -1.478
255 HE1 HIS 84 HE1 HIS 84 -17.430 2.733 -3.737
256 H LYS 85 H LYS 85 -13.373 -1.215 -1.788
257 HA LYS 85 HA LYS 85 -14.738 -3.349 -3.024
258 1HB LYS 85 2HB LYS 85 -15.301 -1.858 -0.438
259 2HB LYS 85 3HB LYS 85 -15.910 -3.471 -0.822
260 1HG LYS 85 2HG LYS 85 -13.663 -4.361 -0.941
261 2HG LYS 85 3HG LYS 85 -12.967 -2.748 -0.780
262 1HD LYS 85 2HD LYS 85 -13.102 -2.848 1.465
263 2HD LYS 85 3HD LYS 85 -14.812 -3.270 1.389
264 1HE LYS 85 2HE LYS 85 -13.320 -5.560 0.538
265 2HE LYS 85 3HE LYS 85 -12.627 -4.984 2.068
266 1HZ LYS 85 1HZ LYS 85 -15.541 -5.287 1.580
267 2HZ LYS 85 2HZ LYS 85 -14.589 -6.464 2.353
268 3HZ LYS 85 3HZ LYS 85 -14.782 -4.928 3.054
No H/Q in entry = 268
Start of MODEL 13
1 1H SER 45 2H SER 45 13.936 5.925 -5.363
2 2H SER 45 1H SER 45 15.090 6.255 -6.567
3 3H SER 45 3H SER 45 14.966 4.693 -5.910
4 HA SER 45 HA SER 45 16.793 5.496 -4.773
5 1HB SER 45 2HB SER 45 16.770 7.675 -5.774
6 2HB SER 45 3HB SER 45 15.248 8.091 -4.992
7 HG SER 45 HG SER 45 17.568 8.676 -4.102
8 H ASP 46 H ASP 46 14.734 3.999 -3.711
9 HA ASP 46 HA ASP 46 14.471 5.153 -0.962
10 1HB ASP 46 2HB ASP 46 12.429 4.537 -2.950
11 2HB ASP 46 3HB ASP 46 12.160 3.647 -1.451
12 H GLY 47 H GLY 47 13.173 2.157 -2.367
13 1HA GLY 47 2HA GLY 47 14.290 -0.023 -2.166
14 2HA GLY 47 3HA GLY 47 15.158 0.606 -0.765
15 H ASP 48 H ASP 48 12.396 1.900 -0.053
16 HA ASP 48 HA ASP 48 11.485 -0.429 1.553
17 1HB ASP 48 2HB ASP 48 10.842 2.538 1.591
18 2HB ASP 48 3HB ASP 48 10.250 1.369 2.771
19 H GLN 49 H GLN 49 10.521 1.550 -1.136
20 HA GLN 49 HA GLN 49 8.793 1.333 -2.668
21 1HB GLN 49 2HB GLN 49 8.717 -1.152 -1.087
22 2HB GLN 49 3HB GLN 49 7.262 -0.787 -2.005
23 1HG GLN 49 2HG GLN 49 10.095 -0.990 -3.062
24 2HG GLN 49 3HG GLN 49 8.768 -2.100 -3.399
25 1HE2 GLN 49 1HE2 GLN 49 7.269 1.137 -4.990
26 2HE2 GLN 49 2HE2 GLN 49 7.011 0.545 -3.419
27 H CYS 50 H CYS 50 7.837 1.134 0.758
28 HA CYS 50 HA CYS 50 5.123 2.067 0.231
29 1HB CYS 50 2HB CYS 50 5.320 0.718 2.129
30 2HB CYS 50 3HB CYS 50 6.877 1.405 2.580
31 H ALA 51 H ALA 51 8.125 3.564 0.181
32 HA ALA 51 HA ALA 51 7.662 6.028 1.564
33 1HB ALA 51 3HB ALA 51 9.749 4.855 0.367
34 2HB ALA 51 1HB ALA 51 9.262 5.908 -0.960
35 3HB ALA 51 2HB ALA 51 9.693 6.602 0.603
36 H SER 52 H SER 52 7.175 5.126 -1.868
37 HA SER 52 HA SER 52 6.134 7.671 -2.705
38 1HB SER 52 2HB SER 52 5.454 6.379 -4.679
39 2HB SER 52 3HB SER 52 7.054 5.860 -4.155
40 HG SER 52 HG SER 52 6.233 4.008 -3.434
41 H SER 53 H SER 53 4.818 5.290 -0.673
42 HA SER 53 HA SER 53 2.686 5.152 0.345
43 1HB SER 53 2HB SER 53 3.074 7.735 -0.076
44 2HB SER 53 3HB SER 53 1.829 7.514 -1.303
45 HG SER 53 HG SER 53 0.420 7.436 0.243
46 HA PRO 54 HA PRO 54 1.379 3.373 -3.814
47 1HB PRO 54 2HB PRO 54 1.256 0.781 -2.786
48 2HB PRO 54 3HB PRO 54 2.622 1.450 -3.702
49 1HG PRO 54 2HG PRO 54 2.306 1.073 -0.781
50 2HG PRO 54 3HG PRO 54 3.761 0.985 -1.785
51 1HD PRO 54 2HD PRO 54 3.193 3.094 -0.169
52 2HD PRO 54 3HD PRO 54 4.139 3.241 -1.668
53 H CYS 55 H CYS 55 0.412 2.086 -0.603
54 HA CYS 55 HA CYS 55 -2.216 1.354 -1.051
55 1HB CYS 55 2HB CYS 55 -0.623 1.658 1.090
56 2HB CYS 55 3HB CYS 55 -1.638 3.085 1.317
57 H GLN 56 H GLN 56 -4.270 2.625 -0.583
58 HA GLN 56 HA GLN 56 -4.035 5.527 -1.230
59 1HB GLN 56 2HB GLN 56 -5.762 3.467 -2.638
60 2HB GLN 56 3HB GLN 56 -5.809 5.204 -2.946
61 1HG GLN 56 2HG GLN 56 -3.368 5.111 -3.505
62 2HG GLN 56 3HG GLN 56 -3.449 3.353 -3.362
63 1HE2 GLN 56 1HE2 GLN 56 -4.010 4.126 -6.953
64 2HE2 GLN 56 2HE2 GLN 56 -2.720 4.270 -5.846
65 H ASN 57 H ASN 57 -6.646 6.195 -1.392
66 HA ASN 57 HA ASN 57 -8.403 6.812 0.088
67 1HB ASN 57 2HB ASN 57 -8.550 3.875 0.710
68 2HB ASN 57 3HB ASN 57 -9.852 4.987 0.295
69 1HD2 ASN 57 1HD2 ASN 57 -9.495 4.506 -3.214
70 2HD2 ASN 57 2HD2 ASN 57 -10.237 5.431 -1.988
71 H GLY 58 H GLY 58 -6.123 7.338 1.457
72 1HA GLY 58 2HA GLY 58 -5.241 7.533 3.623
73 2HA GLY 58 3HA GLY 58 -6.851 7.082 4.189
74 H GLY 59 H GLY 59 -4.675 5.116 2.181
75 1HA GLY 59 2HA GLY 59 -4.835 3.022 4.292
76 2HA GLY 59 3HA GLY 59 -4.446 2.727 2.594
77 H SER 60 H SER 60 -2.759 1.607 4.364
78 HA SER 60 HA SER 60 -0.397 3.449 4.513
79 1HB SER 60 2HB SER 60 -1.003 0.888 6.026
80 2HB SER 60 3HB SER 60 0.308 2.018 6.360
81 HG SER 60 HG SER 60 -2.001 2.082 7.445
82 H CYS 61 H CYS 61 1.727 2.324 4.131
83 HA CYS 61 HA CYS 61 1.441 0.073 2.168
84 1HB CYS 61 2HB CYS 61 3.621 1.188 1.234
85 2HB CYS 61 3HB CYS 61 2.065 1.923 0.867
86 H LYS 62 H LYS 62 2.756 -1.682 2.526
87 HA LYS 62 HA LYS 62 4.483 -1.615 4.950
88 1HB LYS 62 2HB LYS 62 2.636 -3.329 4.453
89 2HB LYS 62 3HB LYS 62 3.715 -3.969 3.215
90 1HG LYS 62 2HG LYS 62 4.815 -5.137 4.787
91 2HG LYS 62 3HG LYS 62 5.252 -3.627 5.588
92 1HD LYS 62 2HD LYS 62 3.078 -3.651 6.784
93 2HD LYS 62 3HD LYS 62 2.689 -5.191 6.017
94 1HE LYS 62 2HE LYS 62 3.719 -6.183 7.784
95 2HE LYS 62 3HE LYS 62 5.247 -5.581 7.109
96 1HZ LYS 62 3HZ LYS 62 4.862 -3.469 8.245
97 2HZ LYS 62 1HZ LYS 62 3.438 -4.086 8.936
98 3HZ LYS 62 2HZ LYS 62 4.940 -4.752 9.357
99 H ASP 63 H ASP 63 6.699 -1.805 4.786
100 HA ASP 63 HA ASP 63 7.848 -1.970 2.031
101 1HB ASP 63 2HB ASP 63 9.797 -0.888 3.129
102 2HB ASP 63 3HB ASP 63 8.315 0.032 3.390
103 H GLN 64 H GLN 64 8.311 -4.118 1.599
104 HA GLN 64 HA GLN 64 9.623 -5.717 3.768
105 1HB GLN 64 2HB GLN 64 8.898 -7.296 1.482
106 2HB GLN 64 3HB GLN 64 8.223 -7.361 3.105
107 1HG GLN 64 2HG GLN 64 6.726 -5.420 2.456
108 2HG GLN 64 3HG GLN 64 7.296 -5.628 0.799
109 1HE2 GLN 64 1HE2 GLN 64 4.204 -7.683 1.153
110 2HE2 GLN 64 2HE2 GLN 64 4.580 -6.021 1.235
111 H LEU 65 H LEU 65 10.678 -7.667 1.895
112 HA LEU 65 HA LEU 65 13.266 -6.647 1.405
113 1HB LEU 65 2HB LEU 65 11.639 -8.912 0.235
114 2HB LEU 65 3HB LEU 65 13.346 -8.685 -0.147
115 HG LEU 65 HG LEU 65 13.382 -8.473 2.579
116 1HD1 LEU 65 1HD1 LEU 65 11.100 -10.256 1.755
117 2HD1 LEU 65 2HD1 LEU 65 12.024 -10.613 3.215
118 3HD1 LEU 65 3HD1 LEU 65 11.167 -9.078 3.066
119 1HD2 LEU 65 3HD2 LEU 65 13.712 -10.839 0.728
120 2HD2 LEU 65 1HD2 LEU 65 14.967 -9.835 1.455
121 3HD2 LEU 65 2HD2 LEU 65 14.055 -10.965 2.454
122 H GLN 66 H GLN 66 12.375 -7.899 -1.586
123 HA GLN 66 HA GLN 66 12.747 -5.272 -2.873
124 1HB GLN 66 2HB GLN 66 12.847 -6.710 -4.909
125 2HB GLN 66 3HB GLN 66 13.940 -7.276 -3.645
126 1HG GLN 66 2HG GLN 66 12.832 -9.232 -3.429
127 2HG GLN 66 3HG GLN 66 11.265 -8.423 -3.386
128 1HE2 GLN 66 1HE2 GLN 66 12.662 -9.940 -6.911
129 2HE2 GLN 66 2HE2 GLN 66 13.661 -9.903 -5.538
130 H SER 67 H SER 67 10.210 -5.820 -1.394
131 HA SER 67 HA SER 67 8.351 -5.057 -3.560
132 1HB SER 67 2HB SER 67 6.884 -7.025 -2.351
133 2HB SER 67 3HB SER 67 7.817 -7.260 -3.826
134 HG SER 67 HG SER 67 9.148 -8.470 -2.744
135 H TYR 68 H TYR 68 6.001 -4.995 -2.362
136 HA TYR 68 HA TYR 68 6.161 -4.180 0.463
137 1HB TYR 68 2HB TYR 68 5.558 -1.852 -0.012
138 2HB TYR 68 3HB TYR 68 7.044 -2.260 -0.873
139 HD1 TYR 68 HD1 TYR 68 7.013 -2.660 -3.314
140 HD2 TYR 68 HD2 TYR 68 3.484 -1.445 -1.189
141 HE1 TYR 68 HE1 TYR 68 5.926 -2.067 -5.461
142 HE2 TYR 68 HE2 TYR 68 2.395 -0.852 -3.337
143 HH TYR 68 HH TYR 68 3.946 -0.336 -6.102
144 H ILE 69 H ILE 69 4.004 -3.912 1.367
145 HA ILE 69 HA ILE 69 1.755 -4.580 -0.490
146 HB ILE 69 HB ILE 69 2.831 -6.031 1.893
147 1HG1 ILE 69 2HG1 ILE 69 1.593 -6.766 -0.770
148 2HG1 ILE 69 3HG1 ILE 69 3.281 -6.941 -0.289
149 1HG2 ILE 69 3HG2 ILE 69 0.500 -5.372 2.527
150 2HG2 ILE 69 1HG2 ILE 69 -0.083 -6.148 1.054
151 3HG2 ILE 69 2HG2 ILE 69 0.686 -7.112 2.315
152 1HD1 ILE 69 3HD1 ILE 69 1.999 -8.327 1.696
153 2HD1 ILE 69 1HD1 ILE 69 0.971 -8.670 0.304
154 3HD1 ILE 69 2HD1 ILE 69 2.690 -9.066 0.251
155 H CYS 70 H CYS 70 0.238 -3.008 -0.248
156 HA CYS 70 HA CYS 70 0.153 -1.277 2.088
157 1HB CYS 70 2HB CYS 70 -0.470 -0.042 0.308
158 2HB CYS 70 3HB CYS 70 -0.815 -1.474 -0.629
159 H PHE 71 H PHE 71 -2.206 -0.915 3.019
160 HA PHE 71 HA PHE 71 -3.579 -3.549 3.389
161 1HB PHE 71 2HB PHE 71 -2.360 -1.673 5.408
162 2HB PHE 71 3HB PHE 71 -3.705 -2.724 5.871
163 HD1 PHE 71 HD1 PHE 71 -0.348 -2.809 4.205
164 HD2 PHE 71 HD2 PHE 71 -3.300 -4.956 6.472
165 HE1 PHE 71 HE1 PHE 71 1.215 -4.725 4.427
166 HE2 PHE 71 HE2 PHE 71 -1.737 -6.868 6.696
167 HZ PHE 71 HZ PHE 71 0.520 -6.752 5.674
168 H CYS 72 H CYS 72 -3.718 -0.013 3.645
169 HA CYS 72 HA CYS 72 -5.574 1.453 3.651
170 1HB CYS 72 2HB CYS 72 -5.663 -0.340 1.565
171 2HB CYS 72 3HB CYS 72 -7.271 -0.519 2.275
172 H LEU 73 H LEU 73 -8.349 0.769 3.644
173 HA LEU 73 HA LEU 73 -8.619 -0.452 6.372
174 1HB LEU 73 2HB LEU 73 -10.536 1.463 5.025
175 2HB LEU 73 3HB LEU 73 -10.340 1.151 6.749
176 HG LEU 73 HG LEU 73 -8.199 2.415 5.013
177 1HD1 LEU 73 3HD1 LEU 73 -10.376 3.755 5.337
178 2HD1 LEU 73 1HD1 LEU 73 -9.931 3.833 7.042
179 3HD1 LEU 73 2HD1 LEU 73 -8.874 4.544 5.822
180 1HD2 LEU 73 1HD2 LEU 73 -7.611 1.155 7.182
181 2HD2 LEU 73 2HD2 LEU 73 -7.046 2.821 7.055
182 3HD2 LEU 73 3HD2 LEU 73 -8.470 2.444 8.025
183 HA PRO 74 HA PRO 74 -11.607 -3.340 4.929
184 1HB PRO 74 2HB PRO 74 -13.961 -2.096 6.183
185 2HB PRO 74 3HB PRO 74 -13.169 -3.636 6.573
186 1HG PRO 74 2HG PRO 74 -13.055 -1.461 8.179
187 2HG PRO 74 3HG PRO 74 -11.781 -2.687 8.103
188 1HD PRO 74 2HD PRO 74 -11.838 0.049 6.944
189 2HD PRO 74 3HD PRO 74 -10.468 -0.886 7.585
190 H ALA 75 H ALA 75 -12.012 -0.049 4.213
191 HA ALA 75 HA ALA 75 -14.316 -0.397 2.394
192 1HB ALA 75 1HB ALA 75 -12.616 1.812 3.495
193 2HB ALA 75 2HB ALA 75 -13.542 2.119 2.025
194 3HB ALA 75 3HB ALA 75 -14.373 1.646 3.507
195 H PHE 76 H PHE 76 -11.100 -1.139 2.152
196 HA PHE 76 HA PHE 76 -11.157 -0.857 -0.798
197 1HB PHE 76 2HB PHE 76 -8.846 0.143 0.886
198 2HB PHE 76 3HB PHE 76 -9.105 0.394 -0.843
199 HD1 PHE 76 HD1 PHE 76 -10.252 1.313 2.552
200 HD2 PHE 76 HD2 PHE 76 -10.649 2.072 -1.657
201 HE1 PHE 76 HE1 PHE 76 -11.527 3.381 3.045
202 HE2 PHE 76 HE2 PHE 76 -11.924 4.140 -1.164
203 HZ PHE 76 HZ PHE 76 -12.363 4.796 1.187
204 H GLU 77 H GLU 77 -9.156 -2.011 -1.743
205 HA GLU 77 HA GLU 77 -7.654 -3.873 -0.124
206 1HB GLU 77 2HB GLU 77 -8.911 -5.913 -0.957
207 2HB GLU 77 3HB GLU 77 -9.817 -4.913 0.179
208 1HG GLU 77 2HG GLU 77 -11.196 -4.028 -1.495
209 2HG GLU 77 3HG GLU 77 -10.047 -4.414 -2.778
210 H GLY 78 H GLY 78 -6.091 -4.965 -1.410
211 1HA GLY 78 2HA GLY 78 -5.633 -5.829 -3.782
212 2HA GLY 78 3HA GLY 78 -6.119 -4.216 -4.306
213 H ARG 79 H ARG 79 -3.680 -4.822 -5.130
214 HA ARG 79 HA ARG 79 -1.394 -4.657 -3.592
215 1HB ARG 79 2HB ARG 79 -2.084 -3.154 -6.139
216 2HB ARG 79 3HB ARG 79 -0.443 -3.431 -5.555
217 1HG ARG 79 2HG ARG 79 -0.444 -5.608 -6.212
218 2HG ARG 79 3HG ARG 79 -2.112 -5.859 -5.694
219 1HD ARG 79 2HD ARG 79 -1.384 -4.282 -8.183
220 2HD ARG 79 3HD ARG 79 -1.781 -6.013 -8.205
221 HE ARG 79 HE ARG 79 -3.660 -3.944 -7.120
222 1HH1 ARG 79 1HH1 ARG 79 -3.037 -6.147 -9.603
223 2HH1 ARG 79 2HH1 ARG 79 -4.623 -6.842 -9.611
224 1HH2 ARG 79 1HH2 ARG 79 -5.672 -5.139 -6.779
225 2HH2 ARG 79 2HH2 ARG 79 -6.115 -6.272 -8.012
226 H ASN 80 H ASN 80 -3.300 -1.827 -4.699
227 HA ASN 80 HA ASN 80 -2.022 -0.234 -2.497
228 1HB ASN 80 2HB ASN 80 -3.235 0.764 -5.090
229 2HB ASN 80 3HB ASN 80 -2.184 1.653 -3.986
230 1HD2 ASN 80 1HD2 ASN 80 0.635 -0.634 -4.968
231 2HD2 ASN 80 2HD2 ASN 80 -0.194 -0.332 -3.507
232 H CYS 81 H CYS 81 -4.694 -1.905 -2.966
233 HA CYS 81 HA CYS 81 -6.895 -1.752 -2.159
234 1HB CYS 81 2HB CYS 81 -6.851 -0.860 -0.063
235 2HB CYS 81 3HB CYS 81 -5.157 -0.532 -0.400
236 H GLU 82 H GLU 82 -5.733 0.068 -4.470
237 HA GLU 82 HA GLU 82 -7.307 2.436 -4.637
238 1HB GLU 82 2HB GLU 82 -5.474 2.149 -6.116
239 2HB GLU 82 3HB GLU 82 -6.022 0.543 -6.611
240 1HG GLU 82 2HG GLU 82 -8.006 1.579 -7.693
241 2HG GLU 82 3HG GLU 82 -7.391 3.173 -7.253
242 H THR 83 H THR 83 -8.176 -0.900 -4.952
243 HA THR 83 HA THR 83 -10.558 -0.466 -6.598
244 HB THR 83 HB THR 83 -9.561 -2.766 -4.885
245 HG1 THR 83 HG1 THR 83 -8.201 -2.530 -6.554
246 1HG2 THR 83 3HG2 THR 83 -12.124 -2.494 -5.631
247 2HG2 THR 83 1HG2 THR 83 -11.478 -3.164 -7.129
248 3HG2 THR 83 2HG2 THR 83 -11.312 -4.059 -5.617
249 H HIS 84 H HIS 84 -11.369 1.327 -5.081
250 HA HIS 84 HA HIS 84 -12.157 1.083 -2.431
251 1HB HIS 84 2HB HIS 84 -12.499 3.113 -3.644
252 2HB HIS 84 3HB HIS 84 -13.500 2.305 -4.851
253 HD1 HIS 84 HD1 HIS 84 -15.956 1.786 -4.227
254 HD2 HIS 84 HD2 HIS 84 -13.834 3.684 -1.180
255 HE1 HIS 84 HE1 HIS 84 -17.667 2.511 -2.505
256 H LYS 85 H LYS 85 -13.039 -0.809 -1.612
257 HA LYS 85 HA LYS 85 -14.548 -2.788 -2.796
258 1HB LYS 85 2HB LYS 85 -14.587 -1.492 -0.077
259 2HB LYS 85 3HB LYS 85 -15.685 -2.830 -0.431
260 1HG LYS 85 2HG LYS 85 -13.833 -4.284 -0.992
261 2HG LYS 85 3HG LYS 85 -12.688 -2.947 -0.868
262 1HD LYS 85 2HD LYS 85 -12.602 -3.073 1.397
263 2HD LYS 85 3HD LYS 85 -14.342 -3.329 1.537
264 1HE LYS 85 2HE LYS 85 -13.726 -5.706 0.488
265 2HE LYS 85 3HE LYS 85 -12.156 -5.348 1.235
266 1HZ LYS 85 3HZ LYS 85 -13.294 -4.822 3.300
267 2HZ LYS 85 1HZ LYS 85 -14.794 -5.178 2.595
268 3HZ LYS 85 2HZ LYS 85 -13.649 -6.412 2.821
No H/Q in entry = 268
Start of MODEL 14
1 1H SER 45 2H SER 45 21.405 3.019 -2.047
2 2H SER 45 1H SER 45 21.076 4.664 -2.312
3 3H SER 45 3H SER 45 20.822 3.980 -0.778
4 HA SER 45 HA SER 45 18.675 4.090 -1.651
5 1HB SER 45 2HB SER 45 19.391 4.817 -3.853
6 2HB SER 45 3HB SER 45 20.093 3.238 -4.193
7 HG SER 45 HG SER 45 17.472 4.089 -4.284
8 H ASP 46 H ASP 46 17.244 2.127 -2.611
9 HA ASP 46 HA ASP 46 18.243 -0.546 -2.533
10 1HB ASP 46 2HB ASP 46 18.858 -0.143 -0.263
11 2HB ASP 46 3HB ASP 46 17.348 0.706 0.072
12 H GLY 47 H GLY 47 15.488 0.288 -0.526
13 1HA GLY 47 2HA GLY 47 13.701 -0.788 -2.664
14 2HA GLY 47 3HA GLY 47 13.345 -0.846 -0.937
15 H ASP 48 H ASP 48 12.945 1.260 0.147
16 HA ASP 48 HA ASP 48 12.015 3.441 0.242
17 1HB ASP 48 2HB ASP 48 13.705 3.377 -1.966
18 2HB ASP 48 3HB ASP 48 12.180 3.960 -2.632
19 H GLN 49 H GLN 49 10.783 0.833 -1.389
20 HA GLN 49 HA GLN 49 8.665 1.563 -2.985
21 1HB GLN 49 2HB GLN 49 8.952 -0.444 -0.768
22 2HB GLN 49 3HB GLN 49 7.475 -0.367 -1.727
23 1HG GLN 49 2HG GLN 49 8.502 -1.169 -3.613
24 2HG GLN 49 3HG GLN 49 10.028 -0.365 -3.247
25 1HE2 GLN 49 1HE2 GLN 49 10.795 -3.075 -0.771
26 2HE2 GLN 49 2HE2 GLN 49 10.564 -1.389 -0.664
27 H CYS 50 H CYS 50 8.757 1.765 0.566
28 HA CYS 50 HA CYS 50 6.048 2.903 0.715
29 1HB CYS 50 2HB CYS 50 8.142 1.833 2.471
30 2HB CYS 50 3HB CYS 50 7.322 3.233 3.161
31 H ALA 51 H ALA 51 7.858 4.470 -0.916
32 HA ALA 51 HA ALA 51 8.543 6.810 0.796
33 1HB ALA 51 3HB ALA 51 10.197 5.815 -0.785
34 2HB ALA 51 1HB ALA 51 9.108 6.185 -2.121
35 3HB ALA 51 2HB ALA 51 9.829 7.493 -1.182
36 H SER 52 H SER 52 6.981 6.217 -2.382
37 HA SER 52 HA SER 52 5.620 8.812 -2.300
38 1HB SER 52 2HB SER 52 4.685 7.931 -4.457
39 2HB SER 52 3HB SER 52 6.442 7.850 -4.386
40 HG SER 52 HG SER 52 6.342 5.701 -4.099
41 H SER 53 H SER 53 5.055 5.969 -0.700
42 HA SER 53 HA SER 53 3.155 5.190 0.476
43 1HB SER 53 2HB SER 53 2.945 7.899 0.304
44 2HB SER 53 3HB SER 53 1.478 7.417 -0.544
45 HG SER 53 HG SER 53 2.307 6.764 2.087
46 HA PRO 54 HA PRO 54 1.745 3.536 -3.629
47 1HB PRO 54 2HB PRO 54 1.594 0.951 -2.541
48 2HB PRO 54 3HB PRO 54 2.947 1.596 -3.493
49 1HG PRO 54 2HG PRO 54 2.679 1.273 -0.565
50 2HG PRO 54 3HG PRO 54 4.121 1.194 -1.587
51 1HD PRO 54 2HD PRO 54 3.557 3.312 0.009
52 2HD PRO 54 3HD PRO 54 4.459 3.463 -1.516
53 H CYS 55 H CYS 55 0.668 2.158 -0.490
54 HA CYS 55 HA CYS 55 -2.010 1.619 -1.169
55 1HB CYS 55 2HB CYS 55 -0.424 1.387 1.013
56 2HB CYS 55 3HB CYS 55 -1.408 2.764 1.515
57 H GLN 56 H GLN 56 -3.950 2.900 -0.925
58 HA GLN 56 HA GLN 56 -3.565 5.836 -0.586
59 1HB GLN 56 2HB GLN 56 -4.998 4.369 -2.822
60 2HB GLN 56 3HB GLN 56 -5.030 6.120 -2.599
61 1HG GLN 56 2HG GLN 56 -2.695 6.318 -3.005
62 2HG GLN 56 3HG GLN 56 -2.443 4.580 -2.836
63 1HE2 GLN 56 1HE2 GLN 56 -4.092 3.946 -6.082
64 2HE2 GLN 56 2HE2 GLN 56 -4.223 3.383 -4.477
65 H ASN 57 H ASN 57 -5.989 6.810 -0.744
66 HA ASN 57 HA ASN 57 -8.071 6.981 0.359
67 1HB ASN 57 2HB ASN 57 -7.874 3.973 -0.010
68 2HB ASN 57 3HB ASN 57 -9.359 4.863 0.330
69 1HD2 ASN 57 1HD2 ASN 57 -8.294 4.484 -3.466
70 2HD2 ASN 57 2HD2 ASN 57 -7.802 3.454 -2.198
71 H GLY 58 H GLY 58 -5.735 6.914 2.032
72 1HA GLY 58 2HA GLY 58 -5.404 6.899 4.371
73 2HA GLY 58 3HA GLY 58 -6.992 6.156 4.553
74 H GLY 59 H GLY 59 -4.982 4.557 2.286
75 1HA GLY 59 2HA GLY 59 -4.728 2.283 4.155
76 2HA GLY 59 3HA GLY 59 -4.380 2.244 2.422
77 H SER 60 H SER 60 -2.729 1.459 4.862
78 HA SER 60 HA SER 60 -0.463 3.360 4.748
79 1HB SER 60 2HB SER 60 -1.504 1.980 6.756
80 2HB SER 60 3HB SER 60 -0.455 0.702 6.149
81 HG SER 60 HG SER 60 0.448 2.209 7.766
82 H CYS 61 H CYS 61 1.788 2.256 4.478
83 HA CYS 61 HA CYS 61 1.628 0.234 2.266
84 1HB CYS 61 2HB CYS 61 3.371 1.442 1.164
85 2HB CYS 61 3HB CYS 61 2.239 2.668 1.730
86 H LYS 62 H LYS 62 2.893 -1.582 2.548
87 HA LYS 62 HA LYS 62 4.595 -1.698 5.000
88 1HB LYS 62 2HB LYS 62 2.673 -3.308 4.487
89 2HB LYS 62 3HB LYS 62 3.684 -3.948 3.191
90 1HG LYS 62 2HG LYS 62 4.910 -5.148 4.647
91 2HG LYS 62 3HG LYS 62 5.203 -3.724 5.646
92 1HD LYS 62 2HD LYS 62 3.342 -4.115 6.990
93 2HD LYS 62 3HD LYS 62 2.514 -5.051 5.747
94 1HE LYS 62 2HE LYS 62 3.250 -6.654 7.375
95 2HE LYS 62 3HE LYS 62 4.410 -6.786 6.037
96 1HZ LYS 62 1HZ LYS 62 4.902 -4.768 8.103
97 2HZ LYS 62 2HZ LYS 62 5.225 -6.390 8.493
98 3HZ LYS 62 3HZ LYS 62 6.012 -5.662 7.178
99 H ASP 63 H ASP 63 6.794 -2.192 4.843
100 HA ASP 63 HA ASP 63 7.921 -2.340 2.067
101 1HB ASP 63 2HB ASP 63 8.389 -0.283 3.383
102 2HB ASP 63 3HB ASP 63 9.115 -1.275 4.648
103 H GLN 64 H GLN 64 8.463 -4.468 1.697
104 HA GLN 64 HA GLN 64 9.634 -6.044 3.955
105 1HB GLN 64 2HB GLN 64 9.127 -7.627 1.610
106 2HB GLN 64 3HB GLN 64 8.324 -7.709 3.174
107 1HG GLN 64 2HG GLN 64 6.797 -5.874 2.451
108 2HG GLN 64 3HG GLN 64 7.568 -5.890 0.866
109 1HE2 GLN 64 1HE2 GLN 64 4.910 -8.827 1.851
110 2HE2 GLN 64 2HE2 GLN 64 5.410 -7.685 3.015
111 H LEU 65 H LEU 65 11.246 -7.815 2.905
112 HA LEU 65 HA LEU 65 13.447 -6.241 1.766
113 1HB LEU 65 2HB LEU 65 13.027 -9.029 2.823
114 2HB LEU 65 3HB LEU 65 14.531 -8.599 2.008
115 HG LEU 65 HG LEU 65 13.538 -6.748 4.129
116 1HD1 LEU 65 1HD1 LEU 65 14.484 -9.558 4.569
117 2HD1 LEU 65 2HD1 LEU 65 14.995 -8.306 5.700
118 3HD1 LEU 65 3HD1 LEU 65 13.279 -8.632 5.464
119 1HD2 LEU 65 1HD2 LEU 65 15.765 -6.857 2.557
120 2HD2 LEU 65 2HD2 LEU 65 15.718 -6.060 4.130
121 3HD2 LEU 65 3HD2 LEU 65 16.339 -7.705 3.993
122 H GLN 66 H GLN 66 10.978 -8.302 0.582
123 HA GLN 66 HA GLN 66 12.466 -8.868 -1.943
124 1HB GLN 66 2HB GLN 66 9.730 -9.811 -1.036
125 2HB GLN 66 3HB GLN 66 10.748 -10.529 -2.284
126 1HG GLN 66 2HG GLN 66 12.493 -10.724 -0.306
127 2HG GLN 66 3HG GLN 66 11.044 -10.641 0.696
128 1HE2 GLN 66 1HE2 GLN 66 9.759 -13.794 -0.483
129 2HE2 GLN 66 2HE2 GLN 66 9.269 -12.278 0.100
130 H SER 67 H SER 67 9.618 -7.209 -0.671
131 HA SER 67 HA SER 67 9.532 -5.402 -2.965
132 1HB SER 67 2HB SER 67 7.174 -7.245 -2.525
133 2HB SER 67 3HB SER 67 7.485 -6.199 -3.907
134 HG SER 67 HG SER 67 8.020 -8.632 -3.911
135 H TYR 68 H TYR 68 6.442 -5.362 -2.223
136 HA TYR 68 HA TYR 68 6.480 -4.365 0.535
137 1HB TYR 68 2HB TYR 68 6.029 -2.049 -0.066
138 2HB TYR 68 3HB TYR 68 7.513 -2.560 -0.876
139 HD1 TYR 68 HD1 TYR 68 3.899 -1.881 -1.333
140 HD2 TYR 68 HD2 TYR 68 7.620 -2.789 -3.274
141 HE1 TYR 68 HE1 TYR 68 2.883 -1.342 -3.530
142 HE2 TYR 68 HE2 TYR 68 6.606 -2.250 -5.472
143 HH TYR 68 HH TYR 68 4.081 -0.505 -5.950
144 H ILE 69 H ILE 69 4.311 -4.080 1.324
145 HA ILE 69 HA ILE 69 2.129 -4.663 -0.639
146 HB ILE 69 HB ILE 69 2.960 -6.130 1.849
147 1HG1 ILE 69 2HG1 ILE 69 2.142 -6.837 -0.976
148 2HG1 ILE 69 3HG1 ILE 69 3.721 -7.064 -0.222
149 1HG2 ILE 69 3HG2 ILE 69 0.550 -5.441 2.107
150 2HG2 ILE 69 1HG2 ILE 69 0.201 -6.280 0.596
151 3HG2 ILE 69 2HG2 ILE 69 0.778 -7.185 1.995
152 1HD1 ILE 69 3HD1 ILE 69 2.334 -8.515 1.500
153 2HD1 ILE 69 1HD1 ILE 69 1.199 -8.633 0.155
154 3HD1 ILE 69 2HD1 ILE 69 2.855 -9.209 -0.035
155 H CYS 70 H CYS 70 0.568 -3.146 -0.430
156 HA CYS 70 HA CYS 70 0.501 -1.313 1.821
157 1HB CYS 70 2HB CYS 70 -0.178 -0.143 0.019
158 2HB CYS 70 3HB CYS 70 -0.424 -1.614 -0.876
159 H PHE 71 H PHE 71 -1.722 -0.877 2.824
160 HA PHE 71 HA PHE 71 -3.404 -3.297 3.204
161 1HB PHE 71 2HB PHE 71 -1.747 -1.851 5.285
162 2HB PHE 71 3HB PHE 71 -3.143 -2.839 5.734
163 HD1 PHE 71 HD1 PHE 71 0.247 -2.869 4.276
164 HD2 PHE 71 HD2 PHE 71 -3.117 -5.257 5.473
165 HE1 PHE 71 HE1 PHE 71 1.637 -4.916 4.100
166 HE2 PHE 71 HE2 PHE 71 -1.726 -7.304 5.297
167 HZ PHE 71 HZ PHE 71 0.651 -7.133 4.611
168 H CYS 72 H CYS 72 -5.188 -2.158 2.325
169 HA CYS 72 HA CYS 72 -5.861 0.557 3.126
170 1HB CYS 72 2HB CYS 72 -7.644 -1.523 1.850
171 2HB CYS 72 3HB CYS 72 -7.711 0.227 1.646
172 H LEU 73 H LEU 73 -8.714 0.097 3.393
173 HA LEU 73 HA LEU 73 -8.815 -1.057 6.163
174 1HB LEU 73 2HB LEU 73 -10.604 1.120 5.066
175 2HB LEU 73 3HB LEU 73 -10.228 0.761 6.749
176 HG LEU 73 HG LEU 73 -8.186 1.761 4.744
177 1HD1 LEU 73 1HD1 LEU 73 -9.839 3.233 6.815
178 2HD1 LEU 73 2HD1 LEU 73 -8.392 3.907 6.067
179 3HD1 LEU 73 3HD1 LEU 73 -9.800 3.526 5.076
180 1HD2 LEU 73 1HD2 LEU 73 -7.490 0.404 6.825
181 2HD2 LEU 73 2HD2 LEU 73 -6.735 1.984 6.618
182 3HD2 LEU 73 3HD2 LEU 73 -8.058 1.783 7.766
183 HA PRO 74 HA PRO 74 -12.325 -3.492 5.130
184 1HB PRO 74 2HB PRO 74 -14.316 -1.858 6.574
185 2HB PRO 74 3HB PRO 74 -13.781 -3.521 6.896
186 1HG PRO 74 2HG PRO 74 -13.116 -1.442 8.476
187 2HG PRO 74 3HG PRO 74 -12.074 -2.854 8.248
188 1HD PRO 74 2HD PRO 74 -11.823 -0.118 7.114
189 2HD PRO 74 3HD PRO 74 -10.556 -1.270 7.593
190 H ALA 75 H ALA 75 -12.364 -0.172 4.367
191 HA ALA 75 HA ALA 75 -14.857 -0.229 2.797
192 1HB ALA 75 1HB ALA 75 -12.716 1.721 3.557
193 2HB ALA 75 2HB ALA 75 -13.713 2.092 2.151
194 3HB ALA 75 3HB ALA 75 -14.466 1.862 3.729
195 H PHE 76 H PHE 76 -11.363 -0.411 2.226
196 HA PHE 76 HA PHE 76 -11.925 -0.782 -0.691
197 1HB PHE 76 2HB PHE 76 -9.283 -0.013 0.567
198 2HB PHE 76 3HB PHE 76 -9.812 0.237 -1.099
199 HD1 PHE 76 HD1 PHE 76 -10.509 1.242 2.429
200 HD2 PHE 76 HD2 PHE 76 -10.934 2.219 -1.732
201 HE1 PHE 76 HE1 PHE 76 -11.391 3.476 3.044
202 HE2 PHE 76 HE2 PHE 76 -11.817 4.453 -1.117
203 HZ PHE 76 HZ PHE 76 -12.044 5.083 1.272
204 H GLU 77 H GLU 77 -9.965 -2.149 -1.677
205 HA GLU 77 HA GLU 77 -8.765 -4.163 0.035
206 1HB GLU 77 2HB GLU 77 -11.177 -4.786 0.086
207 2HB GLU 77 3HB GLU 77 -11.155 -4.934 -1.671
208 1HG GLU 77 2HG GLU 77 -10.685 -7.121 -1.198
209 2HG GLU 77 3HG GLU 77 -9.038 -6.505 -1.049
210 H GLY 78 H GLY 78 -6.928 -3.530 -1.283
211 1HA GLY 78 2HA GLY 78 -6.577 -5.142 -3.655
212 2HA GLY 78 3HA GLY 78 -6.768 -3.438 -4.073
213 H ARG 79 H ARG 79 -4.373 -4.557 -4.697
214 HA ARG 79 HA ARG 79 -2.324 -4.595 -2.748
215 1HB ARG 79 2HB ARG 79 -2.332 -3.729 -5.656
216 2HB ARG 79 3HB ARG 79 -0.874 -4.107 -4.736
217 1HG ARG 79 2HG ARG 79 -1.775 -6.385 -4.296
218 2HG ARG 79 3HG ARG 79 -3.173 -6.003 -5.302
219 1HD ARG 79 2HD ARG 79 -1.493 -7.228 -6.630
220 2HD ARG 79 3HD ARG 79 -1.613 -5.558 -7.219
221 HE ARG 79 HE ARG 79 0.363 -5.923 -5.085
222 1HH1 ARG 79 1HH1 ARG 79 -0.059 -4.337 -7.897
223 2HH1 ARG 79 2HH1 ARG 79 1.461 -4.748 -8.619
224 1HH2 ARG 79 1HH2 ARG 79 2.232 -7.164 -6.255
225 2HH2 ARG 79 2HH2 ARG 79 2.758 -6.348 -7.688
226 H ASN 80 H ASN 80 -4.170 -1.927 -3.899
227 HA ASN 80 HA ASN 80 -2.551 -0.063 -2.257
228 1HB ASN 80 2HB ASN 80 -2.834 -0.049 -5.258
229 2HB ASN 80 3HB ASN 80 -2.623 1.475 -4.394
230 1HD2 ASN 80 1HD2 ASN 80 0.624 -0.693 -5.129
231 2HD2 ASN 80 2HD2 ASN 80 -0.853 -0.840 -5.970
232 H CYS 81 H CYS 81 -5.340 -1.219 -2.322
233 HA CYS 81 HA CYS 81 -7.509 -0.404 -1.826
234 1HB CYS 81 2HB CYS 81 -6.283 2.354 -2.039
235 2HB CYS 81 3HB CYS 81 -7.634 1.838 -1.030
236 H GLU 82 H GLU 82 -5.973 -0.177 -4.661
237 HA GLU 82 HA GLU 82 -7.451 1.753 -6.184
238 1HB GLU 82 2HB GLU 82 -5.494 0.989 -7.183
239 2HB GLU 82 3HB GLU 82 -5.759 -0.679 -6.667
240 1HG GLU 82 2HG GLU 82 -7.639 -0.837 -8.309
241 2HG GLU 82 3HG GLU 82 -7.244 0.787 -8.872
242 H THR 83 H THR 83 -8.451 -1.145 -4.714
243 HA THR 83 HA THR 83 -10.672 -1.540 -6.680
244 HB THR 83 HB THR 83 -9.438 -3.241 -4.496
245 HG1 THR 83 HG1 THR 83 -9.291 -4.574 -6.557
246 1HG2 THR 83 3HG2 THR 83 -12.110 -3.297 -5.474
247 2HG2 THR 83 1HG2 THR 83 -11.269 -4.692 -6.152
248 3HG2 THR 83 2HG2 THR 83 -11.322 -4.458 -4.404
249 H HIS 84 H HIS 84 -11.188 0.691 -5.302
250 HA HIS 84 HA HIS 84 -12.215 0.661 -2.703
251 1HB HIS 84 2HB HIS 84 -12.073 2.694 -3.946
252 2HB HIS 84 3HB HIS 84 -13.067 2.050 -5.252
253 HD1 HIS 84 HD1 HIS 84 -14.757 4.050 -4.904
254 HD2 HIS 84 HD2 HIS 84 -14.406 1.490 -1.633
255 HE1 HIS 84 HE1 HIS 84 -16.711 4.566 -3.377
256 H LYS 85 H LYS 85 -13.745 -0.655 -1.799
257 HA LYS 85 HA LYS 85 -15.457 -2.396 -3.318
258 1HB LYS 85 2HB LYS 85 -15.458 -1.425 -0.443
259 2HB LYS 85 3HB LYS 85 -16.478 -2.740 -1.032
260 1HG LYS 85 2HG LYS 85 -14.716 -4.192 -1.258
261 2HG LYS 85 3HG LYS 85 -13.578 -2.910 -1.677
262 1HD LYS 85 2HD LYS 85 -12.840 -2.881 0.445
263 2HD LYS 85 3HD LYS 85 -14.456 -2.438 0.994
264 1HE LYS 85 2HE LYS 85 -13.471 -4.611 1.976
265 2HE LYS 85 3HE LYS 85 -15.092 -4.743 1.264
266 1HZ LYS 85 1HZ LYS 85 -12.901 -5.003 -0.611
267 2HZ LYS 85 2HZ LYS 85 -13.006 -6.262 0.525
268 3HZ LYS 85 3HZ LYS 85 -14.329 -5.909 -0.481
No H/Q in entry = 268
Start of MODEL 15
1 1H SER 45 1H SER 45 13.995 11.076 -4.906
2 2H SER 45 3H SER 45 14.885 12.377 -4.276
3 3H SER 45 2H SER 45 15.653 10.893 -4.584
4 HA SER 45 HA SER 45 15.331 10.934 -2.259
5 1HB SER 45 2HB SER 45 13.884 12.685 -1.858
6 2HB SER 45 3HB SER 45 12.842 12.267 -3.214
7 HG SER 45 HG SER 45 13.034 10.544 -1.003
8 H ASP 46 H ASP 46 12.055 10.119 -3.307
9 HA ASP 46 HA ASP 46 11.863 7.587 -2.192
10 1HB ASP 46 2HB ASP 46 10.151 7.202 -3.958
11 2HB ASP 46 3HB ASP 46 10.042 8.831 -3.287
12 H GLY 47 H GLY 47 11.815 5.434 -3.467
13 1HA GLY 47 2HA GLY 47 13.108 4.797 -5.799
14 2HA GLY 47 3HA GLY 47 14.451 5.045 -4.681
15 H ASP 48 H ASP 48 12.581 4.064 -2.448
16 HA ASP 48 HA ASP 48 13.285 1.214 -2.755
17 1HB ASP 48 2HB ASP 48 11.961 2.730 -0.482
18 2HB ASP 48 3HB ASP 48 12.749 1.155 -0.376
19 H GLN 49 H GLN 49 10.574 1.472 -0.776
20 HA GLN 49 HA GLN 49 8.702 0.807 -3.013
21 1HB GLN 49 2HB GLN 49 8.855 -0.637 -0.370
22 2HB GLN 49 3HB GLN 49 7.974 -1.128 -1.810
23 1HG GLN 49 2HG GLN 49 9.928 -1.745 -2.956
24 2HG GLN 49 3HG GLN 49 10.964 -0.779 -1.906
25 1HE2 GLN 49 1HE2 GLN 49 10.852 -3.228 0.780
26 2HE2 GLN 49 2HE2 GLN 49 10.833 -1.539 0.539
27 H CYS 50 H CYS 50 8.646 1.128 0.558
28 HA CYS 50 HA CYS 50 6.060 2.557 0.384
29 1HB CYS 50 2HB CYS 50 7.759 1.227 2.458
30 2HB CYS 50 3HB CYS 50 6.595 2.436 2.998
31 H ALA 51 H ALA 51 8.655 3.822 -0.531
32 HA ALA 51 HA ALA 51 8.989 5.994 1.483
33 1HB ALA 51 3HB ALA 51 10.781 4.540 0.085
34 2HB ALA 51 1HB ALA 51 10.546 5.865 -1.055
35 3HB ALA 51 2HB ALA 51 11.102 6.201 0.586
36 H SER 52 H SER 52 6.571 5.732 -0.297
37 HA SER 52 HA SER 52 6.503 8.510 -1.226
38 1HB SER 52 2HB SER 52 6.134 6.344 -3.295
39 2HB SER 52 3HB SER 52 6.426 8.062 -3.551
40 HG SER 52 HG SER 52 8.518 7.796 -2.932
41 H SER 53 H SER 53 4.979 6.549 0.520
42 HA SER 53 HA SER 53 2.730 5.878 0.898
43 1HB SER 53 2HB SER 53 2.330 8.504 -0.566
44 2HB SER 53 3HB SER 53 1.249 7.793 0.629
45 HG SER 53 HG SER 53 3.229 9.428 1.074
46 HA PRO 54 HA PRO 54 2.148 4.657 -3.579
47 1HB PRO 54 2HB PRO 54 2.653 1.985 -3.263
48 2HB PRO 54 3HB PRO 54 3.922 3.171 -3.633
49 1HG PRO 54 2HG PRO 54 3.233 1.880 -1.053
50 2HG PRO 54 3HG PRO 54 4.812 2.353 -1.694
51 1HD PRO 54 2HD PRO 54 3.408 3.768 0.206
52 2HD PRO 54 3HD PRO 54 4.654 4.462 -0.855
53 H CYS 55 H CYS 55 0.758 4.203 -0.596
54 HA CYS 55 HA CYS 55 -1.316 2.271 -1.489
55 1HB CYS 55 2HB CYS 55 -1.188 3.713 1.159
56 2HB CYS 55 3HB CYS 55 -1.829 2.106 0.812
57 H GLN 56 H GLN 56 -3.625 2.891 -1.222
58 HA GLN 56 HA GLN 56 -4.087 5.837 -1.451
59 1HB GLN 56 2HB GLN 56 -5.173 3.545 -3.111
60 2HB GLN 56 3HB GLN 56 -5.778 5.200 -3.214
61 1HG GLN 56 2HG GLN 56 -3.636 6.020 -3.936
62 2HG GLN 56 3HG GLN 56 -2.868 4.467 -3.605
63 1HE2 GLN 56 1HE2 GLN 56 -3.891 3.006 -6.669
64 2HE2 GLN 56 2HE2 GLN 56 -3.136 2.757 -5.160
65 H ASN 57 H ASN 57 -6.525 6.301 -1.178
66 HA ASN 57 HA ASN 57 -8.428 6.223 0.219
67 1HB ASN 57 2HB ASN 57 -7.749 3.285 -0.105
68 2HB ASN 57 3HB ASN 57 -9.269 3.878 0.565
69 1HD2 ASN 57 1HD2 ASN 57 -8.879 3.677 -3.414
70 2HD2 ASN 57 2HD2 ASN 57 -7.815 2.911 -2.321
71 H GLY 58 H GLY 58 -5.934 6.692 1.547
72 1HA GLY 58 2HA GLY 58 -5.057 6.729 3.721
73 2HA GLY 58 3HA GLY 58 -6.654 6.211 4.259
74 H GLY 59 H GLY 59 -4.862 4.265 1.975
75 1HA GLY 59 2HA GLY 59 -4.895 2.024 3.862
76 2HA GLY 59 3HA GLY 59 -4.298 1.970 2.198
77 H SER 60 H SER 60 -3.051 1.066 4.809
78 HA SER 60 HA SER 60 -0.786 2.863 5.261
79 1HB SER 60 2HB SER 60 -1.114 -0.031 6.081
80 2HB SER 60 3HB SER 60 -0.190 1.224 6.903
81 HG SER 60 HG SER 60 -2.844 0.616 7.043
82 H CYS 61 H CYS 61 1.500 1.940 5.037
83 HA CYS 61 HA CYS 61 1.732 0.370 2.487
84 1HB CYS 61 2HB CYS 61 2.340 2.874 2.564
85 2HB CYS 61 3HB CYS 61 3.700 2.394 3.577
86 H LYS 62 H LYS 62 2.570 -1.639 2.918
87 HA LYS 62 HA LYS 62 4.222 -2.045 5.356
88 1HB LYS 62 2HB LYS 62 2.255 -3.502 4.613
89 2HB LYS 62 3HB LYS 62 3.295 -4.069 3.306
90 1HG LYS 62 2HG LYS 62 4.336 -5.492 4.698
91 2HG LYS 62 3HG LYS 62 4.752 -4.167 5.785
92 1HD LYS 62 2HD LYS 62 2.452 -4.319 6.766
93 2HD LYS 62 3HD LYS 62 2.163 -5.743 5.764
94 1HE LYS 62 2HE LYS 62 4.619 -5.684 7.495
95 2HE LYS 62 3HE LYS 62 3.050 -6.053 8.236
96 1HZ LYS 62 1HZ LYS 62 4.112 -7.364 5.791
97 2HZ LYS 62 2HZ LYS 62 4.161 -8.048 7.345
98 3HZ LYS 62 3HZ LYS 62 2.667 -7.747 6.592
99 H ASP 63 H ASP 63 6.404 -2.557 5.250
100 HA ASP 63 HA ASP 63 7.657 -2.501 2.527
101 1HB ASP 63 2HB ASP 63 9.638 -1.666 3.794
102 2HB ASP 63 3HB ASP 63 8.221 -0.641 4.024
103 H GLN 64 H GLN 64 8.059 -4.611 1.931
104 HA GLN 64 HA GLN 64 9.075 -6.497 4.022
105 1HB GLN 64 2HB GLN 64 8.507 -7.783 1.516
106 2HB GLN 64 3HB GLN 64 7.670 -7.977 3.051
107 1HG GLN 64 2HG GLN 64 6.322 -5.921 2.496
108 2HG GLN 64 3HG GLN 64 7.073 -5.925 0.900
109 1HE2 GLN 64 1HE2 GLN 64 4.643 -8.172 -0.286
110 2HE2 GLN 64 2HE2 GLN 64 5.614 -6.799 -0.572
111 H LEU 65 H LEU 65 10.614 -8.226 2.859
112 HA LEU 65 HA LEU 65 12.900 -6.678 1.850
113 1HB LEU 65 2HB LEU 65 12.756 -8.660 3.565
114 2HB LEU 65 3HB LEU 65 12.759 -9.668 2.117
115 HG LEU 65 HG LEU 65 14.796 -7.525 2.150
116 1HD1 LEU 65 3HD1 LEU 65 14.596 -8.530 4.559
117 2HD1 LEU 65 1HD1 LEU 65 15.330 -9.960 3.834
118 3HD1 LEU 65 2HD1 LEU 65 16.188 -8.420 3.810
119 1HD2 LEU 65 1HD2 LEU 65 14.324 -9.674 0.601
120 2HD2 LEU 65 2HD2 LEU 65 15.948 -9.032 0.844
121 3HD2 LEU 65 3HD2 LEU 65 15.399 -10.421 1.782
122 H GLN 66 H GLN 66 10.341 -8.516 0.515
123 HA GLN 66 HA GLN 66 11.826 -8.992 -2.032
124 1HB GLN 66 2HB GLN 66 9.056 -9.892 -1.184
125 2HB GLN 66 3HB GLN 66 10.043 -10.559 -2.486
126 1HG GLN 66 2HG GLN 66 11.561 -10.605 -0.045
127 2HG GLN 66 3HG GLN 66 9.994 -11.368 0.235
128 1HE2 GLN 66 1HE2 GLN 66 12.549 -13.054 -2.516
129 2HE2 GLN 66 2HE2 GLN 66 12.721 -11.412 -2.124
130 H SER 67 H SER 67 9.338 -7.036 -0.591
131 HA SER 67 HA SER 67 9.228 -5.182 -2.778
132 1HB SER 67 2HB SER 67 6.979 -5.821 -3.634
133 2HB SER 67 3HB SER 67 8.151 -7.115 -3.870
134 HG SER 67 HG SER 67 5.999 -7.626 -2.887
135 H TYR 68 H TYR 68 6.133 -5.054 -2.151
136 HA TYR 68 HA TYR 68 6.093 -4.308 0.686
137 1HB TYR 68 2HB TYR 68 5.759 -1.925 0.261
138 2HB TYR 68 3HB TYR 68 7.274 -2.439 -0.486
139 HD1 TYR 68 HD1 TYR 68 7.354 -2.894 -2.953
140 HD2 TYR 68 HD2 TYR 68 3.925 -1.133 -1.057
141 HE1 TYR 68 HE1 TYR 68 6.525 -2.129 -5.163
142 HE2 TYR 68 HE2 TYR 68 3.099 -0.364 -3.266
143 HH TYR 68 HH TYR 68 3.526 -0.219 -5.437
144 H ILE 69 H ILE 69 3.933 -4.047 1.426
145 HA ILE 69 HA ILE 69 1.776 -4.247 -0.638
146 HB ILE 69 HB ILE 69 2.500 -6.091 1.615
147 1HG1 ILE 69 2HG1 ILE 69 1.573 -6.350 -1.253
148 2HG1 ILE 69 3HG1 ILE 69 3.154 -6.770 -0.591
149 1HG2 ILE 69 1HG2 ILE 69 -0.291 -5.705 0.486
150 2HG2 ILE 69 2HG2 ILE 69 0.205 -7.054 1.507
151 3HG2 ILE 69 3HG2 ILE 69 0.204 -5.413 2.153
152 1HD1 ILE 69 3HD1 ILE 69 1.774 -8.373 0.958
153 2HD1 ILE 69 1HD1 ILE 69 0.535 -8.205 -0.287
154 3HD1 ILE 69 2HD1 ILE 69 2.120 -8.860 -0.702
155 H CYS 70 H CYS 70 0.333 -2.634 -0.247
156 HA CYS 70 HA CYS 70 0.329 -1.177 2.287
157 1HB CYS 70 2HB CYS 70 -1.297 -1.051 -0.257
158 2HB CYS 70 3HB CYS 70 -1.471 0.098 1.067
159 H PHE 71 H PHE 71 -1.300 -1.224 3.861
160 HA PHE 71 HA PHE 71 -3.224 -3.501 3.674
161 1HB PHE 71 2HB PHE 71 -1.827 -1.964 5.838
162 2HB PHE 71 3HB PHE 71 -3.359 -2.758 6.224
163 HD1 PHE 71 HD1 PHE 71 -0.351 -3.621 4.138
164 HD2 PHE 71 HD2 PHE 71 -3.078 -4.836 7.226
165 HE1 PHE 71 HE1 PHE 71 0.821 -5.800 4.316
166 HE2 PHE 71 HE2 PHE 71 -1.907 -7.015 7.405
167 HZ PHE 71 HZ PHE 71 0.043 -7.496 5.949
168 H CYS 72 H CYS 72 -4.731 -2.269 2.299
169 HA CYS 72 HA CYS 72 -5.817 0.286 2.968
170 1HB CYS 72 2HB CYS 72 -7.191 -2.038 1.587
171 2HB CYS 72 3HB CYS 72 -7.510 -0.319 1.343
172 H LEU 73 H LEU 73 -8.401 0.310 3.401
173 HA LEU 73 HA LEU 73 -8.769 -1.132 5.990
174 1HB LEU 73 2HB LEU 73 -10.421 1.121 4.827
175 2HB LEU 73 3HB LEU 73 -10.239 0.673 6.522
176 HG LEU 73 HG LEU 73 -7.974 1.696 4.788
177 1HD1 LEU 73 1HD1 LEU 73 -9.736 3.122 6.804
178 2HD1 LEU 73 2HD1 LEU 73 -8.233 3.785 6.160
179 3HD1 LEU 73 3HD1 LEU 73 -9.596 3.482 5.083
180 1HD2 LEU 73 1HD2 LEU 73 -7.524 0.205 6.841
181 2HD2 LEU 73 2HD2 LEU 73 -6.705 1.766 6.803
182 3HD2 LEU 73 3HD2 LEU 73 -8.141 1.547 7.804
183 HA PRO 74 HA PRO 74 -12.151 -3.589 4.675
184 1HB PRO 74 2HB PRO 74 -14.157 -2.114 6.273
185 2HB PRO 74 3HB PRO 74 -13.624 -3.801 6.419
186 1HG PRO 74 2HG PRO 74 -12.954 -1.902 8.208
187 2HG PRO 74 3HG PRO 74 -11.910 -3.279 7.828
188 1HD PRO 74 2HD PRO 74 -11.656 -0.436 7.006
189 2HD PRO 74 3HD PRO 74 -10.392 -1.644 7.330
190 H ALA 75 H ALA 75 -12.293 -0.194 4.301
191 HA ALA 75 HA ALA 75 -14.765 -0.080 2.740
192 1HB ALA 75 1HB ALA 75 -12.458 1.779 3.349
193 2HB ALA 75 2HB ALA 75 -13.783 2.256 2.287
194 3HB ALA 75 3HB ALA 75 -14.106 1.855 3.975
195 H PHE 76 H PHE 76 -11.316 -0.456 2.081
196 HA PHE 76 HA PHE 76 -11.952 -0.583 -0.841
197 1HB PHE 76 2HB PHE 76 -9.276 0.102 0.388
198 2HB PHE 76 3HB PHE 76 -9.843 0.445 -1.249
199 HD1 PHE 76 HD1 PHE 76 -10.294 1.321 2.336
200 HD2 PHE 76 HD2 PHE 76 -11.129 2.399 -1.737
201 HE1 PHE 76 HE1 PHE 76 -11.150 3.521 3.095
202 HE2 PHE 76 HE2 PHE 76 -11.985 4.600 -0.979
203 HZ PHE 76 HZ PHE 76 -11.996 5.161 1.438
204 H GLU 77 H GLU 77 -9.751 -1.767 -1.832
205 HA GLU 77 HA GLU 77 -8.840 -4.041 -0.231
206 1HB GLU 77 2HB GLU 77 -11.210 -4.144 -1.993
207 2HB GLU 77 3HB GLU 77 -10.050 -5.446 -2.256
208 1HG GLU 77 2HG GLU 77 -10.064 -5.688 0.331
209 2HG GLU 77 3HG GLU 77 -11.558 -4.753 0.259
210 H GLY 78 H GLY 78 -7.061 -5.063 -1.247
211 1HA GLY 78 2HA GLY 78 -5.958 -5.608 -3.458
212 2HA GLY 78 3HA GLY 78 -6.294 -3.937 -3.912
213 H ARG 79 H ARG 79 -3.672 -5.012 -3.911
214 HA ARG 79 HA ARG 79 -2.213 -4.421 -1.497
215 1HB ARG 79 2HB ARG 79 -1.202 -4.311 -4.349
216 2HB ARG 79 3HB ARG 79 -0.311 -4.787 -2.904
217 1HG ARG 79 2HG ARG 79 -2.497 -6.506 -2.917
218 2HG ARG 79 3HG ARG 79 -2.047 -6.392 -4.618
219 1HD ARG 79 2HD ARG 79 0.192 -7.129 -4.176
220 2HD ARG 79 3HD ARG 79 -0.023 -6.934 -2.425
221 HE ARG 79 HE ARG 79 -1.943 -8.753 -3.713
222 1HH1 ARG 79 1HH2 ARG 79 -1.486 -9.145 -0.899
223 2HH1 ARG 79 2HH2 ARG 79 -0.308 -10.413 -0.826
224 1HH2 ARG 79 1HH1 ARG 79 0.676 -10.047 -4.131
225 2HH2 ARG 79 2HH1 ARG 79 0.916 -10.923 -2.657
226 H ASN 80 H ASN 80 -3.806 -2.364 -3.652
227 HA ASN 80 HA ASN 80 -2.205 -0.034 -2.672
228 1HB ASN 80 2HB ASN 80 -3.225 -0.419 -5.503
229 2HB ASN 80 3HB ASN 80 -2.155 0.858 -4.924
230 1HD2 ASN 80 1HD2 ASN 80 0.766 -1.144 -5.098
231 2HD2 ASN 80 2HD2 ASN 80 0.096 0.350 -4.618
232 H CYS 81 H CYS 81 -4.974 -1.337 -2.163
233 HA CYS 81 HA CYS 81 -7.168 -0.563 -1.741
234 1HB CYS 81 2HB CYS 81 -5.869 2.163 -2.001
235 2HB CYS 81 3HB CYS 81 -7.243 1.716 -0.989
236 H GLU 82 H GLU 82 -5.911 -0.587 -4.631
237 HA GLU 82 HA GLU 82 -7.237 1.447 -6.162
238 1HB GLU 82 2HB GLU 82 -5.413 0.275 -7.126
239 2HB GLU 82 3HB GLU 82 -6.096 -1.299 -6.703
240 1HG GLU 82 2HG GLU 82 -7.855 -1.050 -8.342
241 2HG GLU 82 3HG GLU 82 -7.388 0.620 -8.662
242 H THR 83 H THR 83 -8.374 -1.500 -4.699
243 HA THR 83 HA THR 83 -10.821 -1.546 -6.393
244 HB THR 83 HB THR 83 -10.213 -3.388 -4.094
245 HG1 THR 83 HG1 THR 83 -8.655 -4.350 -5.182
246 1HG2 THR 83 3HG2 THR 83 -12.171 -3.268 -6.060
247 2HG2 THR 83 1HG2 THR 83 -11.048 -4.485 -6.669
248 3HG2 THR 83 2HG2 THR 83 -11.781 -4.679 -5.077
249 H HIS 84 H HIS 84 -11.355 0.657 -5.304
250 HA HIS 84 HA HIS 84 -12.068 0.771 -2.517
251 1HB HIS 84 2HB HIS 84 -11.634 2.772 -3.777
252 2HB HIS 84 3HB HIS 84 -12.836 2.340 -4.992
253 HD1 HIS 84 HD1 HIS 84 -14.468 4.261 -4.649
254 HD2 HIS 84 HD2 HIS 84 -13.575 2.266 -1.099
255 HE1 HIS 84 HE1 HIS 84 -16.067 5.157 -2.901
256 H LYS 85 H LYS 85 -13.634 -0.575 -1.687
257 HA LYS 85 HA LYS 85 -15.703 -1.861 -3.161
258 1HB LYS 85 2HB LYS 85 -15.558 -1.065 -0.233
259 2HB LYS 85 3HB LYS 85 -16.597 -2.326 -0.904
260 1HG LYS 85 2HG LYS 85 -14.792 -3.739 -1.386
261 2HG LYS 85 3HG LYS 85 -13.626 -2.416 -1.372
262 1HD LYS 85 2HD LYS 85 -13.223 -2.729 0.819
263 2HD LYS 85 3HD LYS 85 -14.941 -2.582 1.192
264 1HE LYS 85 2HE LYS 85 -14.614 -5.118 -0.045
265 2HE LYS 85 3HE LYS 85 -13.327 -4.968 1.168
266 1HZ LYS 85 1HZ LYS 85 -16.157 -4.236 1.680
267 2HZ LYS 85 2HZ LYS 85 -15.502 -5.753 2.075
268 3HZ LYS 85 3HZ LYS 85 -14.901 -4.351 2.817
No H/Q in entry = 268
Start of MODEL 16
1 1H SER 45 3H SER 45 19.954 3.848 0.981
2 2H SER 45 2H SER 45 20.541 4.385 2.479
3 3H SER 45 1H SER 45 19.654 2.939 2.384
4 HA SER 45 HA SER 45 17.662 3.983 2.347
5 1HB SER 45 2HB SER 45 19.739 5.805 3.540
6 2HB SER 45 3HB SER 45 18.044 6.286 3.550
7 HG SER 45 HG SER 45 18.674 3.689 4.350
8 H ASP 46 H ASP 46 18.440 4.156 -0.280
9 HA ASP 46 HA ASP 46 17.686 6.967 -1.013
10 1HB ASP 46 2HB ASP 46 19.313 6.837 -2.817
11 2HB ASP 46 3HB ASP 46 20.124 6.400 -1.312
12 H GLY 47 H GLY 47 16.119 4.382 -0.762
13 1HA GLY 47 2HA GLY 47 14.843 4.540 -3.422
14 2HA GLY 47 3HA GLY 47 15.448 2.953 -2.941
15 H ASP 48 H ASP 48 14.538 2.002 -0.959
16 HA ASP 48 HA ASP 48 12.729 1.410 0.404
17 1HB ASP 48 2HB ASP 48 12.730 4.393 0.255
18 2HB ASP 48 3HB ASP 48 11.362 3.584 1.023
19 H GLN 49 H GLN 49 11.152 0.288 -0.497
20 HA GLN 49 HA GLN 49 9.847 0.705 -2.941
21 1HB GLN 49 2HB GLN 49 9.196 -0.719 -0.386
22 2HB GLN 49 3HB GLN 49 8.044 -0.745 -1.721
23 1HG GLN 49 2HG GLN 49 9.750 -2.667 -1.622
24 2HG GLN 49 3HG GLN 49 9.582 -1.834 -3.164
25 1HE2 GLN 49 1HE2 GLN 49 12.892 -0.573 -3.138
26 2HE2 GLN 49 2HE2 GLN 49 11.388 -0.608 -3.943
27 H CYS 50 H CYS 50 8.793 1.720 0.317
28 HA CYS 50 HA CYS 50 6.381 3.031 -0.704
29 1HB CYS 50 2HB CYS 50 7.023 1.905 1.620
30 2HB CYS 50 3HB CYS 50 7.578 3.535 1.998
31 H ALA 51 H ALA 51 7.772 4.392 -2.279
32 HA ALA 51 HA ALA 51 9.118 6.695 -0.947
33 1HB ALA 51 1HB ALA 51 9.053 5.480 -3.706
34 2HB ALA 51 2HB ALA 51 9.684 7.109 -3.461
35 3HB ALA 51 3HB ALA 51 10.441 5.738 -2.650
36 H SER 52 H SER 52 6.292 5.851 -2.861
37 HA SER 52 HA SER 52 5.444 8.731 -2.777
38 1HB SER 52 2HB SER 52 4.373 6.869 -4.840
39 2HB SER 52 3HB SER 52 4.816 8.567 -4.986
40 HG SER 52 HG SER 52 6.526 6.305 -4.879
41 H SER 53 H SER 53 4.927 6.087 -1.116
42 HA SER 53 HA SER 53 3.088 5.324 0.164
43 1HB SER 53 2HB SER 53 2.722 7.990 -0.280
44 2HB SER 53 3HB SER 53 1.267 7.338 -1.028
45 HG SER 53 HG SER 53 2.179 6.628 1.564
46 HA PRO 54 HA PRO 54 1.611 3.116 -3.576
47 1HB PRO 54 2HB PRO 54 1.521 0.679 -2.253
48 2HB PRO 54 3HB PRO 54 2.935 1.290 -3.138
49 1HG PRO 54 2HG PRO 54 2.393 1.261 -0.222
50 2HG PRO 54 3HG PRO 54 3.923 1.078 -1.091
51 1HD PRO 54 2HD PRO 54 3.185 3.367 0.187
52 2HD PRO 54 3HD PRO 54 4.271 3.335 -1.220
53 H CYS 55 H CYS 55 0.560 2.126 -0.289
54 HA CYS 55 HA CYS 55 -2.123 1.481 -0.976
55 1HB CYS 55 2HB CYS 55 -0.500 1.369 1.220
56 2HB CYS 55 3HB CYS 55 -1.599 2.669 1.685
57 H GLN 56 H GLN 56 -4.044 2.730 -0.864
58 HA GLN 56 HA GLN 56 -3.742 5.677 -0.505
59 1HB GLN 56 2HB GLN 56 -5.083 4.162 -2.767
60 2HB GLN 56 3HB GLN 56 -5.190 5.909 -2.544
61 1HG GLN 56 2HG GLN 56 -2.824 6.177 -2.850
62 2HG GLN 56 3HG GLN 56 -2.559 4.433 -2.780
63 1HE2 GLN 56 1HE2 GLN 56 -3.853 3.886 -6.119
64 2HE2 GLN 56 2HE2 GLN 56 -3.772 3.154 -4.579
65 H ASN 57 H ASN 57 -6.137 6.625 -0.617
66 HA ASN 57 HA ASN 57 -8.260 6.721 0.418
67 1HB ASN 57 2HB ASN 57 -8.267 3.709 0.306
68 2HB ASN 57 3HB ASN 57 -9.592 4.829 -0.005
69 1HD2 ASN 57 1HD2 ASN 57 -8.797 5.205 -3.441
70 2HD2 ASN 57 2HD2 ASN 57 -9.818 5.671 -2.154
71 H GLY 58 H GLY 58 -5.960 6.645 2.145
72 1HA GLY 58 2HA GLY 58 -5.664 6.553 4.486
73 2HA GLY 58 3HA GLY 58 -7.261 5.816 4.617
74 H GLY 59 H GLY 59 -5.293 4.237 2.332
75 1HA GLY 59 2HA GLY 59 -5.129 1.877 4.056
76 2HA GLY 59 3HA GLY 59 -4.584 1.976 2.378
77 H SER 60 H SER 60 -3.214 0.992 4.914
78 HA SER 60 HA SER 60 -1.016 2.896 5.338
79 1HB SER 60 2HB SER 60 -1.988 1.433 7.103
80 2HB SER 60 3HB SER 60 -1.432 0.018 6.212
81 HG SER 60 HG SER 60 0.244 2.128 7.113
82 H CYS 61 H CYS 61 1.287 2.049 5.083
83 HA CYS 61 HA CYS 61 1.540 0.375 2.603
84 1HB CYS 61 2HB CYS 61 1.988 2.651 2.033
85 2HB CYS 61 3HB CYS 61 2.900 2.920 3.518
86 H LYS 62 H LYS 62 2.855 -1.410 2.892
87 HA LYS 62 HA LYS 62 4.581 -1.460 5.345
88 1HB LYS 62 2HB LYS 62 2.562 -3.035 4.946
89 2HB LYS 62 3HB LYS 62 3.592 -3.821 3.753
90 1HG LYS 62 2HG LYS 62 4.720 -4.908 5.366
91 2HG LYS 62 3HG LYS 62 5.074 -3.389 6.191
92 1HD LYS 62 2HD LYS 62 3.050 -3.470 7.435
93 2HD LYS 62 3HD LYS 62 2.379 -4.735 6.406
94 1HE LYS 62 2HE LYS 62 4.888 -5.653 7.486
95 2HE LYS 62 3HE LYS 62 3.847 -5.092 8.810
96 1HZ LYS 62 1HZ LYS 62 2.861 -6.798 6.593
97 2HZ LYS 62 2HZ LYS 62 3.439 -7.441 8.052
98 3HZ LYS 62 3HZ LYS 62 2.073 -6.432 8.054
99 H ASP 63 H ASP 63 6.753 -2.064 5.101
100 HA ASP 63 HA ASP 63 7.726 -2.318 2.275
101 1HB ASP 63 2HB ASP 63 8.588 -0.888 4.723
102 2HB ASP 63 3HB ASP 63 9.893 -1.627 3.792
103 H GLN 64 H GLN 64 8.300 -4.406 1.809
104 HA GLN 64 HA GLN 64 9.646 -5.988 3.970
105 1HB GLN 64 2HB GLN 64 8.292 -7.710 2.105
106 2HB GLN 64 3HB GLN 64 8.018 -7.543 3.832
107 1HG GLN 64 2HG GLN 64 6.327 -5.923 3.529
108 2HG GLN 64 3HG GLN 64 6.839 -5.559 1.885
109 1HE2 GLN 64 1HE2 GLN 64 4.364 -8.732 2.574
110 2HE2 GLN 64 2HE2 GLN 64 5.067 -7.886 3.878
111 H LEU 65 H LEU 65 11.199 -7.553 3.197
112 HA LEU 65 HA LEU 65 13.092 -6.744 1.371
113 1HB LEU 65 2HB LEU 65 12.211 -9.251 2.612
114 2HB LEU 65 3HB LEU 65 13.127 -9.488 1.123
115 HG LEU 65 HG LEU 65 14.973 -8.172 1.977
116 1HD1 LEU 65 3HD1 LEU 65 13.439 -6.580 3.241
117 2HD1 LEU 65 1HD1 LEU 65 13.383 -7.788 4.524
118 3HD1 LEU 65 2HD1 LEU 65 14.917 -7.036 4.089
119 1HD2 LEU 65 3HD2 LEU 65 13.859 -10.404 3.603
120 2HD2 LEU 65 1HD2 LEU 65 15.409 -10.285 2.768
121 3HD2 LEU 65 2HD2 LEU 65 15.183 -9.488 4.325
122 H GLN 66 H GLN 66 11.417 -9.614 0.349
123 HA GLN 66 HA GLN 66 11.688 -9.544 -2.349
124 1HB GLN 66 2HB GLN 66 9.073 -10.098 -0.914
125 2HB GLN 66 3HB GLN 66 9.587 -10.788 -2.454
126 1HG GLN 66 2HG GLN 66 11.670 -11.610 -1.110
127 2HG GLN 66 3HG GLN 66 10.654 -11.335 0.305
128 1HE2 GLN 66 1HE2 GLN 66 10.036 -14.840 -0.753
129 2HE2 GLN 66 2HE2 GLN 66 11.348 -13.962 -0.132
130 H SER 67 H SER 67 9.543 -7.417 -0.522
131 HA SER 67 HA SER 67 9.453 -5.355 -2.449
132 1HB SER 67 2HB SER 67 8.220 -6.353 -4.073
133 2HB SER 67 3HB SER 67 7.825 -7.713 -3.025
134 HG SER 67 HG SER 67 5.914 -6.827 -3.017
135 H TYR 68 H TYR 68 7.043 -4.198 -2.164
136 HA TYR 68 HA TYR 68 6.650 -4.067 0.804
137 1HB TYR 68 2HB TYR 68 6.038 -1.752 0.387
138 2HB TYR 68 3HB TYR 68 7.545 -2.088 -0.470
139 HD1 TYR 68 HD1 TYR 68 7.545 -2.433 -2.929
140 HD2 TYR 68 HD2 TYR 68 3.981 -1.322 -0.802
141 HE1 TYR 68 HE1 TYR 68 6.466 -1.793 -5.069
142 HE2 TYR 68 HE2 TYR 68 2.904 -0.684 -2.942
143 HH TYR 68 HH TYR 68 3.071 -0.988 -5.246
144 H ILE 69 H ILE 69 4.444 -3.964 1.590
145 HA ILE 69 HA ILE 69 2.343 -4.649 -0.428
146 HB ILE 69 HB ILE 69 3.257 -6.648 0.688
147 1HG1 ILE 69 2HG1 ILE 69 0.553 -6.060 1.890
148 2HG1 ILE 69 3HG1 ILE 69 0.759 -6.330 0.157
149 1HG2 ILE 69 3HG2 ILE 69 3.954 -5.400 2.765
150 2HG2 ILE 69 1HG2 ILE 69 2.259 -5.389 3.254
151 3HG2 ILE 69 2HG2 ILE 69 3.118 -6.919 3.082
152 1HD1 ILE 69 1HD1 ILE 69 2.207 -8.321 1.653
153 2HD1 ILE 69 2HD1 ILE 69 0.518 -8.294 2.162
154 3HD1 ILE 69 3HD1 ILE 69 0.924 -8.548 0.464
155 H CYS 70 H CYS 70 0.748 -3.146 -0.258
156 HA CYS 70 HA CYS 70 0.482 -1.418 2.060
157 1HB CYS 70 2HB CYS 70 -0.130 -0.193 0.269
158 2HB CYS 70 3HB CYS 70 -0.278 -1.632 -0.700
159 H PHE 71 H PHE 71 -1.797 -1.114 2.962
160 HA PHE 71 HA PHE 71 -3.427 -3.592 3.105
161 1HB PHE 71 2HB PHE 71 -1.821 -2.303 5.304
162 2HB PHE 71 3HB PHE 71 -3.303 -3.181 5.700
163 HD1 PHE 71 HD1 PHE 71 -3.544 -5.565 4.619
164 HD2 PHE 71 HD2 PHE 71 0.185 -3.487 5.095
165 HE1 PHE 71 HE1 PHE 71 -2.322 -7.715 4.435
166 HE2 PHE 71 HE2 PHE 71 1.408 -5.637 4.910
167 HZ PHE 71 HZ PHE 71 0.154 -7.751 4.580
168 H CYS 72 H CYS 72 -5.214 -2.465 2.231
169 HA CYS 72 HA CYS 72 -5.995 0.191 3.094
170 1HB CYS 72 2HB CYS 72 -7.621 -1.959 1.717
171 2HB CYS 72 3HB CYS 72 -7.863 -0.213 1.616
172 H LEU 73 H LEU 73 -8.758 -0.106 3.427
173 HA LEU 73 HA LEU 73 -8.937 -1.494 6.083
174 1HB LEU 73 2HB LEU 73 -10.590 0.867 5.169
175 2HB LEU 73 3HB LEU 73 -10.239 0.352 6.817
176 HG LEU 73 HG LEU 73 -7.713 0.787 5.824
177 1HD1 LEU 73 3HD1 LEU 73 -8.772 1.741 3.744
178 2HD1 LEU 73 1HD1 LEU 73 -9.485 3.004 4.749
179 3HD1 LEU 73 2HD1 LEU 73 -7.732 2.879 4.600
180 1HD2 LEU 73 3HD2 LEU 73 -9.599 2.706 7.234
181 2HD2 LEU 73 1HD2 LEU 73 -8.497 1.558 7.995
182 3HD2 LEU 73 2HD2 LEU 73 -7.856 2.946 7.115
183 HA PRO 74 HA PRO 74 -12.583 -3.640 4.898
184 1HB PRO 74 2HB PRO 74 -14.460 -1.983 6.472
185 2HB PRO 74 3HB PRO 74 -14.053 -3.701 6.655
186 1HG PRO 74 2HG PRO 74 -13.233 -1.823 8.399
187 2HG PRO 74 3HG PRO 74 -12.288 -3.274 8.035
188 1HD PRO 74 2HD PRO 74 -11.864 -0.472 7.139
189 2HD PRO 74 3HD PRO 74 -10.672 -1.741 7.505
190 H ALA 75 H ALA 75 -12.441 -0.266 4.395
191 HA ALA 75 HA ALA 75 -14.919 -0.087 2.806
192 1HB ALA 75 1HB ALA 75 -12.638 1.746 3.562
193 2HB ALA 75 2HB ALA 75 -13.875 2.248 2.408
194 3HB ALA 75 3HB ALA 75 -14.326 1.841 4.064
195 H PHE 76 H PHE 76 -11.423 -0.322 2.267
196 HA PHE 76 HA PHE 76 -11.962 -0.546 -0.671
197 1HB PHE 76 2HB PHE 76 -9.366 0.298 0.638
198 2HB PHE 76 3HB PHE 76 -9.882 0.569 -1.029
199 HD1 PHE 76 HD1 PHE 76 -10.718 1.427 2.513
200 HD2 PHE 76 HD2 PHE 76 -11.049 2.535 -1.626
201 HE1 PHE 76 HE1 PHE 76 -11.718 3.598 3.173
202 HE2 PHE 76 HE2 PHE 76 -12.051 4.704 -0.964
203 HZ PHE 76 HZ PHE 76 -12.384 5.235 1.436
204 H GLU 77 H GLU 77 -9.954 -1.821 -1.703
205 HA GLU 77 HA GLU 77 -8.685 -3.835 -0.033
206 1HB GLU 77 2HB GLU 77 -11.007 -4.612 0.053
207 2HB GLU 77 3HB GLU 77 -11.108 -4.569 -1.707
208 1HG GLU 77 2HG GLU 77 -9.303 -6.261 -1.842
209 2HG GLU 77 3HG GLU 77 -9.248 -6.328 -0.081
210 H GLY 78 H GLY 78 -6.773 -3.697 -1.187
211 1HA GLY 78 2HA GLY 78 -6.432 -5.016 -3.656
212 2HA GLY 78 3HA GLY 78 -6.608 -3.298 -4.023
213 H ARG 79 H ARG 79 -4.206 -4.453 -4.633
214 HA ARG 79 HA ARG 79 -2.194 -4.530 -2.647
215 1HB ARG 79 2HB ARG 79 -2.110 -3.600 -5.536
216 2HB ARG 79 3HB ARG 79 -0.697 -4.069 -4.589
217 1HG ARG 79 2HG ARG 79 -3.067 -5.897 -5.051
218 2HG ARG 79 3HG ARG 79 -1.626 -5.902 -6.069
219 1HD ARG 79 2HD ARG 79 -0.242 -6.679 -4.318
220 2HD ARG 79 3HD ARG 79 -1.405 -6.198 -3.068
221 HE ARG 79 HE ARG 79 -1.768 -8.503 -4.932
222 1HH1 ARG 79 1HH1 ARG 79 -3.273 -6.419 -2.704
223 2HH1 ARG 79 2HH1 ARG 79 -4.102 -7.677 -1.850
224 1HH2 ARG 79 1HH2 ARG 79 -2.567 -10.243 -3.608
225 2HH2 ARG 79 2HH2 ARG 79 -3.702 -9.843 -2.362
226 H ASN 80 H ASN 80 -3.990 -1.836 -3.823
227 HA ASN 80 HA ASN 80 -2.398 0.000 -2.121
228 1HB ASN 80 2HB ASN 80 -2.735 0.172 -5.130
229 2HB ASN 80 3HB ASN 80 -2.292 1.574 -4.154
230 1HD2 ASN 80 1HD2 ASN 80 0.439 -1.447 -4.678
231 2HD2 ASN 80 2HD2 ASN 80 -1.204 -1.726 -5.037
232 H CYS 81 H CYS 81 -5.190 -1.132 -2.222
233 HA CYS 81 HA CYS 81 -7.382 -0.326 -1.825
234 1HB CYS 81 2HB CYS 81 -6.010 2.376 -1.788
235 2HB CYS 81 3HB CYS 81 -7.500 1.924 -0.960
236 H GLU 82 H GLU 82 -5.804 -0.059 -4.583
237 HA GLU 82 HA GLU 82 -7.076 2.045 -6.056
238 1HB GLU 82 2HB GLU 82 -5.170 1.155 -7.046
239 2HB GLU 82 3HB GLU 82 -5.588 -0.502 -6.601
240 1HG GLU 82 2HG GLU 82 -7.437 -0.436 -8.287
241 2HG GLU 82 3HG GLU 82 -6.884 1.165 -8.782
242 H THR 83 H THR 83 -8.394 -0.791 -4.724
243 HA THR 83 HA THR 83 -10.621 -0.801 -6.734
244 HB THR 83 HB THR 83 -9.376 -2.890 -4.940
245 HG1 THR 83 HG1 THR 83 -8.536 -3.395 -6.774
246 1HG2 THR 83 1HG2 THR 83 -12.153 -2.694 -5.927
247 2HG2 THR 83 2HG2 THR 83 -11.351 -4.228 -6.269
248 3HG2 THR 83 3HG2 THR 83 -11.492 -3.656 -4.606
249 H HIS 84 H HIS 84 -11.325 1.154 -5.313
250 HA HIS 84 HA HIS 84 -12.139 0.915 -2.611
251 1HB HIS 84 2HB HIS 84 -12.081 3.044 -3.694
252 2HB HIS 84 3HB HIS 84 -13.142 2.492 -4.992
253 HD1 HIS 84 HD1 HIS 84 -15.107 4.058 -4.597
254 HD2 HIS 84 HD2 HIS 84 -13.992 1.990 -1.154
255 HE1 HIS 84 HE1 HIS 84 -16.905 4.516 -2.873
256 H LYS 85 H LYS 85 -13.727 -0.323 -1.689
257 HA LYS 85 HA LYS 85 -15.367 -2.141 -3.160
258 1HB LYS 85 2HB LYS 85 -15.640 -0.969 -0.370
259 2HB LYS 85 3HB LYS 85 -16.455 -2.429 -0.940
260 1HG LYS 85 2HG LYS 85 -14.216 -3.428 -1.435
261 2HG LYS 85 3HG LYS 85 -13.461 -2.005 -0.716
262 1HD LYS 85 2HD LYS 85 -14.227 -2.525 1.436
263 2HD LYS 85 3HD LYS 85 -15.521 -3.560 0.830
264 1HE LYS 85 2HE LYS 85 -13.555 -5.025 -0.117
265 2HE LYS 85 3HE LYS 85 -12.587 -4.175 1.104
266 1HZ LYS 85 1HZ LYS 85 -15.232 -5.222 1.842
267 2HZ LYS 85 2HZ LYS 85 -13.921 -6.301 1.762
268 3HZ LYS 85 3HZ LYS 85 -13.863 -4.974 2.817
No H/Q in entry = 268
Start of MODEL 17
1 1H SER 45 2H SER 45 10.738 -3.064 -4.894
2 2H SER 45 1H SER 45 11.686 -1.947 -5.756
3 3H SER 45 3H SER 45 10.716 -3.060 -6.593
4 HA SER 45 HA SER 45 12.115 -4.839 -6.164
5 1HB SER 45 2HB SER 45 13.070 -2.396 -7.173
6 2HB SER 45 3HB SER 45 14.351 -2.978 -6.115
7 HG SER 45 HG SER 45 14.707 -3.950 -8.045
8 H ASP 46 H ASP 46 13.912 -2.296 -4.422
9 HA ASP 46 HA ASP 46 13.545 -3.323 -1.778
10 1HB ASP 46 2HB ASP 46 15.796 -4.514 -1.656
11 2HB ASP 46 3HB ASP 46 14.565 -5.336 -2.616
12 H GLY 47 H GLY 47 13.948 -1.394 -0.751
13 1HA GLY 47 2HA GLY 47 16.400 -0.253 -0.276
14 2HA GLY 47 3HA GLY 47 15.914 0.501 -1.794
15 H ASP 48 H ASP 48 13.010 0.222 -0.868
16 HA ASP 48 HA ASP 48 12.561 1.711 1.511
17 1HB ASP 48 2HB ASP 48 13.845 3.167 -0.534
18 2HB ASP 48 3HB ASP 48 12.174 3.731 -0.532
19 H GLN 49 H GLN 49 11.591 1.013 -1.795
20 HA GLN 49 HA GLN 49 9.474 0.761 -2.792
21 1HB GLN 49 2HB GLN 49 9.249 -0.272 0.014
22 2HB GLN 49 3HB GLN 49 7.906 -0.413 -1.113
23 1HG GLN 49 2HG GLN 49 9.017 -2.417 -1.520
24 2HG GLN 49 3HG GLN 49 9.776 -1.370 -2.720
25 1HE2 GLN 49 1HE2 GLN 49 11.935 -2.421 0.625
26 2HE2 GLN 49 2HE2 GLN 49 10.231 -2.470 0.684
27 H CYS 50 H CYS 50 8.107 1.429 0.402
28 HA CYS 50 HA CYS 50 6.339 3.462 -0.714
29 1HB CYS 50 2HB CYS 50 6.894 2.709 2.171
30 2HB CYS 50 3HB CYS 50 5.428 3.451 1.532
31 H ALA 51 H ALA 51 8.023 5.019 -1.444
32 HA ALA 51 HA ALA 51 9.446 6.467 0.741
33 1HB ALA 51 3HB ALA 51 10.250 5.580 -1.698
34 2HB ALA 51 1HB ALA 51 9.740 7.213 -2.121
35 3HB ALA 51 2HB ALA 51 10.982 6.968 -0.894
36 H SER 52 H SER 52 6.624 6.647 -1.170
37 HA SER 52 HA SER 52 6.187 9.468 -0.302
38 1HB SER 52 2HB SER 52 6.704 10.038 -2.453
39 2HB SER 52 3HB SER 52 6.532 8.381 -3.024
40 HG SER 52 HG SER 52 4.851 10.363 -3.343
41 H SER 53 H SER 53 5.138 6.551 0.184
42 HA SER 53 HA SER 53 3.037 5.695 0.865
43 1HB SER 53 2HB SER 53 1.749 8.281 0.078
44 2HB SER 53 3HB SER 53 1.485 7.296 1.514
45 HG SER 53 HG SER 53 2.927 8.464 2.480
46 HA PRO 54 HA PRO 54 2.095 5.208 -3.646
47 1HB PRO 54 2HB PRO 54 2.518 2.500 -3.707
48 2HB PRO 54 3HB PRO 54 3.808 3.688 -3.981
49 1HG PRO 54 2HG PRO 54 3.194 2.085 -1.566
50 2HG PRO 54 3HG PRO 54 4.756 2.605 -2.210
51 1HD PRO 54 2HD PRO 54 3.482 3.784 -0.074
52 2HD PRO 54 3HD PRO 54 4.694 4.589 -1.094
53 H CYS 55 H CYS 55 0.836 4.292 -0.679
54 HA CYS 55 HA CYS 55 -1.285 2.501 -1.648
55 1HB CYS 55 2HB CYS 55 -1.229 3.947 0.999
56 2HB CYS 55 3HB CYS 55 -1.831 2.328 0.641
57 H GLN 56 H GLN 56 -3.622 3.142 -1.212
58 HA GLN 56 HA GLN 56 -4.086 6.074 -1.516
59 1HB GLN 56 2HB GLN 56 -5.184 3.802 -3.198
60 2HB GLN 56 3HB GLN 56 -5.722 5.480 -3.318
61 1HG GLN 56 2HG GLN 56 -3.610 6.222 -4.084
62 2HG GLN 56 3HG GLN 56 -2.814 4.728 -3.581
63 1HE2 GLN 56 1HE2 GLN 56 -3.337 3.217 -6.712
64 2HE2 GLN 56 2HE2 GLN 56 -2.425 3.304 -5.272
65 H ASN 57 H ASN 57 -6.548 6.498 -1.312
66 HA ASN 57 HA ASN 57 -8.472 6.405 0.056
67 1HB ASN 57 2HB ASN 57 -7.726 3.493 -0.311
68 2HB ASN 57 3HB ASN 57 -9.238 4.010 0.437
69 1HD2 ASN 57 1HD2 ASN 57 -9.063 3.872 -3.542
70 2HD2 ASN 57 2HD2 ASN 57 -7.969 3.075 -2.505
71 H GLY 58 H GLY 58 -5.984 6.886 1.415
72 1HA GLY 58 2HA GLY 58 -5.171 6.974 3.613
73 2HA GLY 58 3HA GLY 58 -6.761 6.407 4.121
74 H GLY 59 H GLY 59 -4.857 4.511 1.879
75 1HA GLY 59 2HA GLY 59 -4.797 2.319 3.849
76 2HA GLY 59 3HA GLY 59 -4.313 2.199 2.153
77 H SER 60 H SER 60 -2.915 1.533 4.820
78 HA SER 60 HA SER 60 -0.613 3.351 4.888
79 1HB SER 60 2HB SER 60 -1.804 1.879 6.734
80 2HB SER 60 3HB SER 60 -0.716 0.626 6.147
81 HG SER 60 HG SER 60 -0.203 2.838 7.657
82 H CYS 61 H CYS 61 1.650 2.271 4.751
83 HA CYS 61 HA CYS 61 1.701 0.390 2.413
84 1HB CYS 61 2HB CYS 61 2.494 2.939 2.355
85 2HB CYS 61 3HB CYS 61 3.961 2.244 3.042
86 H LYS 62 H LYS 62 2.804 -1.491 2.750
87 HA LYS 62 HA LYS 62 4.332 -1.789 5.302
88 1HB LYS 62 2HB LYS 62 2.358 -3.265 4.628
89 2HB LYS 62 3HB LYS 62 3.396 -3.914 3.358
90 1HG LYS 62 2HG LYS 62 5.079 -4.166 5.440
91 2HG LYS 62 3HG LYS 62 3.546 -4.299 6.304
92 1HD LYS 62 2HD LYS 62 2.962 -5.940 4.291
93 2HD LYS 62 3HD LYS 62 4.717 -6.107 4.231
94 1HE LYS 62 2HE LYS 62 3.190 -6.388 6.832
95 2HE LYS 62 3HE LYS 62 3.491 -7.771 5.760
96 1HZ LYS 62 1HZ LYS 62 5.576 -5.915 6.786
97 2HZ LYS 62 2HZ LYS 62 5.286 -7.475 7.385
98 3HZ LYS 62 3HZ LYS 62 5.842 -7.268 5.793
99 H ASP 63 H ASP 63 6.513 -2.385 5.248
100 HA ASP 63 HA ASP 63 7.810 -2.373 2.552
101 1HB ASP 63 2HB ASP 63 8.534 -0.608 4.025
102 2HB ASP 63 3HB ASP 63 8.746 -1.738 5.364
103 H GLN 64 H GLN 64 8.621 -4.299 1.840
104 HA GLN 64 HA GLN 64 9.623 -6.277 3.825
105 1HB GLN 64 2HB GLN 64 8.185 -7.683 1.774
106 2HB GLN 64 3HB GLN 64 7.877 -7.673 3.506
107 1HG GLN 64 2HG GLN 64 6.344 -5.870 3.336
108 2HG GLN 64 3HG GLN 64 6.901 -5.438 1.720
109 1HE2 GLN 64 1HE2 GLN 64 4.306 -8.592 2.164
110 2HE2 GLN 64 2HE2 GLN 64 5.174 -8.020 3.516
111 H LEU 65 H LEU 65 11.054 -7.872 2.833
112 HA LEU 65 HA LEU 65 12.965 -6.914 1.050
113 1HB LEU 65 2HB LEU 65 13.287 -8.877 2.415
114 2HB LEU 65 3HB LEU 65 11.967 -9.714 1.598
115 HG LEU 65 HG LEU 65 13.276 -9.515 -0.549
116 1HD1 LEU 65 1HD1 LEU 65 14.991 -7.987 1.256
117 2HD1 LEU 65 2HD1 LEU 65 15.879 -9.248 0.401
118 3HD1 LEU 65 3HD1 LEU 65 14.981 -8.032 -0.507
119 1HD2 LEU 65 3HD2 LEU 65 14.117 -11.091 1.845
120 2HD2 LEU 65 1HD2 LEU 65 13.489 -11.653 0.296
121 3HD2 LEU 65 2HD2 LEU 65 15.170 -11.137 0.431
122 H GLN 66 H GLN 66 11.000 -9.601 -0.024
123 HA GLN 66 HA GLN 66 11.226 -9.487 -2.730
124 1HB GLN 66 2HB GLN 66 8.833 -10.307 -2.771
125 2HB GLN 66 3HB GLN 66 9.857 -11.120 -1.588
126 1HG GLN 66 2HG GLN 66 8.996 -9.678 0.193
127 2HG GLN 66 3HG GLN 66 8.021 -8.785 -0.975
128 1HE2 GLN 66 1HE2 GLN 66 6.839 -12.690 -0.792
129 2HE2 GLN 66 2HE2 GLN 66 8.441 -12.298 -1.197
130 H SER 67 H SER 67 9.268 -7.246 -0.800
131 HA SER 67 HA SER 67 9.420 -5.076 -2.604
132 1HB SER 67 2HB SER 67 7.774 -7.231 -3.505
133 2HB SER 67 3HB SER 67 6.715 -5.878 -3.121
134 HG SER 67 HG SER 67 8.203 -4.580 -4.395
135 H TYR 68 H TYR 68 6.665 -4.163 -2.373
136 HA TYR 68 HA TYR 68 6.306 -4.068 0.600
137 1HB TYR 68 2HB TYR 68 6.090 -1.662 0.452
138 2HB TYR 68 3HB TYR 68 7.567 -2.117 -0.393
139 HD1 TYR 68 HD1 TYR 68 7.692 -2.082 -2.842
140 HD2 TYR 68 HD2 TYR 68 4.138 -0.849 -0.769
141 HE1 TYR 68 HE1 TYR 68 6.851 -1.018 -4.918
142 HE2 TYR 68 HE2 TYR 68 3.298 0.219 -2.846
143 HH TYR 68 HH TYR 68 4.313 -0.437 -5.786
144 H ILE 69 H ILE 69 4.136 -3.884 1.266
145 HA ILE 69 HA ILE 69 2.048 -3.832 -0.880
146 HB ILE 69 HB ILE 69 2.652 -5.887 1.229
147 1HG1 ILE 69 2HG1 ILE 69 1.899 -5.872 -1.702
148 2HG1 ILE 69 3HG1 ILE 69 3.424 -6.391 -0.982
149 1HG2 ILE 69 1HG2 ILE 69 -0.068 -5.380 -0.023
150 2HG2 ILE 69 2HG2 ILE 69 0.361 -6.799 0.932
151 3HG2 ILE 69 3HG2 ILE 69 0.332 -5.205 1.685
152 1HD1 ILE 69 3HD1 ILE 69 2.133 -8.188 0.237
153 2HD1 ILE 69 1HD1 ILE 69 0.728 -7.744 -0.733
154 3HD1 ILE 69 2HD1 ILE 69 2.175 -8.380 -1.515
155 H CYS 70 H CYS 70 0.495 -2.350 -0.370
156 HA CYS 70 HA CYS 70 0.500 -1.012 2.223
157 1HB CYS 70 2HB CYS 70 -1.230 -0.845 -0.249
158 2HB CYS 70 3HB CYS 70 -1.353 0.261 1.116
159 H PHE 71 H PHE 71 -1.250 -0.978 3.719
160 HA PHE 71 HA PHE 71 -3.076 -3.352 3.568
161 1HB PHE 71 2HB PHE 71 -1.922 -1.731 5.862
162 2HB PHE 71 3HB PHE 71 -3.129 -3.001 6.075
163 HD1 PHE 71 HD1 PHE 71 -1.484 -4.259 3.393
164 HD2 PHE 71 HD2 PHE 71 -0.699 -3.369 7.524
165 HE1 PHE 71 HE1 PHE 71 0.311 -5.966 3.420
166 HE2 PHE 71 HE2 PHE 71 1.096 -5.078 7.547
167 HZ PHE 71 HZ PHE 71 1.601 -6.376 5.497
168 H CYS 72 H CYS 72 -4.595 -2.061 2.253
169 HA CYS 72 HA CYS 72 -5.677 0.458 2.936
170 1HB CYS 72 2HB CYS 72 -7.094 -1.932 1.720
171 2HB CYS 72 3HB CYS 72 -7.506 -0.233 1.478
172 H LEU 73 H LEU 73 -8.444 0.032 3.244
173 HA LEU 73 HA LEU 73 -8.576 -1.042 6.044
174 1HB LEU 73 2HB LEU 73 -10.408 1.010 4.784
175 2HB LEU 73 3HB LEU 73 -10.092 0.736 6.497
176 HG LEU 73 HG LEU 73 -8.011 1.722 4.524
177 1HD1 LEU 73 1HD1 LEU 73 -9.727 3.218 6.530
178 2HD1 LEU 73 2HD1 LEU 73 -8.314 3.906 5.730
179 3HD1 LEU 73 3HD1 LEU 73 -9.720 3.431 4.778
180 1HD2 LEU 73 1HD2 LEU 73 -7.325 0.450 6.652
181 2HD2 LEU 73 2HD2 LEU 73 -6.626 2.056 6.438
182 3HD2 LEU 73 3HD2 LEU 73 -7.975 1.823 7.549
183 HA PRO 74 HA PRO 74 -11.943 -3.693 5.097
184 1HB PRO 74 2HB PRO 74 -14.002 -2.103 6.495
185 2HB PRO 74 3HB PRO 74 -13.392 -3.727 6.870
186 1HG PRO 74 2HG PRO 74 -12.811 -1.573 8.378
187 2HG PRO 74 3HG PRO 74 -11.703 -2.939 8.182
188 1HD PRO 74 2HD PRO 74 -11.598 -0.231 6.958
189 2HD PRO 74 3HD PRO 74 -10.271 -1.301 7.466
190 H ALA 75 H ALA 75 -12.159 -0.400 4.238
191 HA ALA 75 HA ALA 75 -14.647 -0.620 2.680
192 1HB ALA 75 1HB ALA 75 -12.484 1.475 3.035
193 2HB ALA 75 2HB ALA 75 -13.898 1.719 2.010
194 3HB ALA 75 3HB ALA 75 -14.099 1.473 3.744
195 H PHE 76 H PHE 76 -11.178 -0.878 2.139
196 HA PHE 76 HA PHE 76 -11.708 -1.300 -0.777
197 1HB PHE 76 2HB PHE 76 -9.099 -0.460 0.508
198 2HB PHE 76 3HB PHE 76 -9.573 -0.306 -1.187
199 HD1 PHE 76 HD1 PHE 76 -10.213 0.955 2.248
200 HD2 PHE 76 HD2 PHE 76 -10.888 1.546 -1.953
201 HE1 PHE 76 HE1 PHE 76 -11.144 3.206 2.714
202 HE2 PHE 76 HE2 PHE 76 -11.818 3.797 -1.486
203 HZ PHE 76 HZ PHE 76 -11.946 4.628 0.847
204 H GLU 77 H GLU 77 -9.740 -2.699 -1.700
205 HA GLU 77 HA GLU 77 -8.919 -4.813 0.231
206 1HB GLU 77 2HB GLU 77 -11.089 -5.505 -0.652
207 2HB GLU 77 3HB GLU 77 -10.541 -5.216 -2.303
208 1HG GLU 77 2HG GLU 77 -10.224 -7.519 -2.104
209 2HG GLU 77 3HG GLU 77 -8.630 -6.902 -1.667
210 H GLY 78 H GLY 78 -8.808 -3.652 -3.147
211 1HA GLY 78 2HA GLY 78 -6.696 -5.103 -4.186
212 2HA GLY 78 3HA GLY 78 -6.924 -3.391 -4.547
213 H ARG 79 H ARG 79 -4.354 -4.566 -4.349
214 HA ARG 79 HA ARG 79 -3.086 -4.338 -1.816
215 1HB ARG 79 2HB ARG 79 -2.409 -5.007 -4.383
216 2HB ARG 79 3HB ARG 79 -1.582 -3.459 -4.209
217 1HG ARG 79 2HG ARG 79 -0.071 -5.209 -3.477
218 2HG ARG 79 3HG ARG 79 -0.593 -4.300 -2.058
219 1HD ARG 79 2HD ARG 79 -0.957 -6.465 -1.287
220 2HD ARG 79 3HD ARG 79 -2.527 -6.171 -2.061
221 HE ARG 79 HE ARG 79 -0.456 -7.199 -3.872
222 1HH1 ARG 79 1HH2 ARG 79 -2.701 -8.049 -5.026
223 2HH1 ARG 79 2HH2 ARG 79 -3.206 -9.519 -4.261
224 1HH2 ARG 79 1HH1 ARG 79 -1.248 -9.031 -1.440
225 2HH2 ARG 79 2HH1 ARG 79 -2.382 -10.075 -2.230
226 H ASN 80 H ASN 80 -3.621 -1.889 -4.360
227 HA ASN 80 HA ASN 80 -2.519 0.220 -2.567
228 1HB ASN 80 2HB ASN 80 -3.457 0.283 -5.455
229 2HB ASN 80 3HB ASN 80 -2.544 1.548 -4.632
230 1HD2 ASN 80 1HD2 ASN 80 0.454 0.035 -5.697
231 2HD2 ASN 80 2HD2 ASN 80 -0.472 1.460 -5.542
232 H CYS 81 H CYS 81 -5.276 -1.192 -2.380
233 HA CYS 81 HA CYS 81 -7.432 -0.496 -1.690
234 1HB CYS 81 2HB CYS 81 -6.364 2.324 -1.910
235 2HB CYS 81 3HB CYS 81 -7.570 1.697 -0.788
236 H GLU 82 H GLU 82 -6.164 -0.113 -4.638
237 HA GLU 82 HA GLU 82 -7.801 1.817 -5.970
238 1HB GLU 82 2HB GLU 82 -5.877 1.012 -7.077
239 2HB GLU 82 3HB GLU 82 -6.282 -0.674 -6.741
240 1HG GLU 82 2HG GLU 82 -8.078 -0.647 -8.337
241 2HG GLU 82 3HG GLU 82 -7.968 1.104 -8.522
242 H THR 83 H THR 83 -8.531 -1.333 -4.711
243 HA THR 83 HA THR 83 -10.949 -1.625 -6.414
244 HB THR 83 HB THR 83 -10.344 -3.496 -4.190
245 HG1 THR 83 HG1 THR 83 -8.664 -3.276 -6.462
246 1HG2 THR 83 3HG2 THR 83 -11.882 -3.546 -6.456
247 2HG2 THR 83 1HG2 THR 83 -10.440 -4.409 -6.989
248 3HG2 THR 83 2HG2 THR 83 -11.341 -4.982 -5.586
249 H HIS 84 H HIS 84 -12.049 0.284 -5.440
250 HA HIS 84 HA HIS 84 -12.633 0.471 -2.628
251 1HB HIS 84 2HB HIS 84 -12.805 2.397 -4.041
252 2HB HIS 84 3HB HIS 84 -13.876 1.559 -5.165
253 HD1 HIS 84 HD1 HIS 84 -15.764 3.332 -4.804
254 HD2 HIS 84 HD2 HIS 84 -14.667 1.291 -1.339
255 HE1 HIS 84 HE1 HIS 84 -17.554 3.829 -3.083
256 H LYS 85 H LYS 85 -13.582 -1.378 -1.729
257 HA LYS 85 HA LYS 85 -15.334 -3.228 -2.835
258 1HB LYS 85 2HB LYS 85 -15.319 -1.968 -0.073
259 2HB LYS 85 3HB LYS 85 -16.146 -3.477 -0.472
260 1HG LYS 85 2HG LYS 85 -14.085 -4.569 -1.013
261 2HG LYS 85 3HG LYS 85 -13.193 -3.048 -0.976
262 1HD LYS 85 2HD LYS 85 -12.721 -3.491 1.183
263 2HD LYS 85 3HD LYS 85 -14.425 -3.196 1.531
264 1HE LYS 85 2HE LYS 85 -14.898 -5.612 1.028
265 2HE LYS 85 3HE LYS 85 -13.150 -5.872 0.866
266 1HZ LYS 85 3HZ LYS 85 -13.022 -4.668 3.108
267 2HZ LYS 85 1HZ LYS 85 -14.676 -5.028 3.250
268 3HZ LYS 85 2HZ LYS 85 -13.541 -6.283 3.106
No H/Q in entry = 268
Start of MODEL 18
1 1H SER 45 1H SER 45 9.365 8.852 -4.304
2 2H SER 45 3H SER 45 8.118 8.369 -5.348
3 3H SER 45 2H SER 45 9.062 7.199 -4.555
4 HA SER 45 HA SER 45 9.848 7.291 -6.788
5 1HB SER 45 2HB SER 45 9.997 9.312 -7.939
6 2HB SER 45 3HB SER 45 8.699 9.684 -6.809
7 HG SER 45 HG SER 45 10.104 11.313 -6.531
8 H ASP 46 H ASP 46 11.921 6.525 -6.722
9 HA ASP 46 HA ASP 46 14.217 6.362 -6.169
10 1HB ASP 46 2HB ASP 46 13.479 9.138 -6.280
11 2HB ASP 46 3HB ASP 46 14.642 8.914 -4.973
12 H GLY 47 H GLY 47 12.909 5.005 -4.380
13 1HA GLY 47 2HA GLY 47 14.223 5.587 -1.842
14 2HA GLY 47 3HA GLY 47 12.470 5.772 -1.771
15 H ASP 48 H ASP 48 11.189 3.848 -2.565
16 HA ASP 48 HA ASP 48 12.247 1.260 -2.975
17 1HB ASP 48 2HB ASP 48 12.462 2.325 -0.261
18 2HB ASP 48 3HB ASP 48 11.581 0.797 -0.302
19 H GLN 49 H GLN 49 9.993 1.771 -0.313
20 HA GLN 49 HA GLN 49 7.712 1.157 -2.154
21 1HB GLN 49 2HB GLN 49 8.101 0.025 0.613
22 2HB GLN 49 3HB GLN 49 6.948 -0.501 -0.608
23 1HG GLN 49 2HG GLN 49 8.618 -1.509 -1.930
24 2HG GLN 49 3HG GLN 49 9.913 -0.597 -1.156
25 1HE2 GLN 49 1HE2 GLN 49 10.096 -2.769 1.691
26 2HE2 GLN 49 2HE2 GLN 49 10.404 -1.177 1.162
27 H CYS 50 H CYS 50 8.316 1.931 1.291
28 HA CYS 50 HA CYS 50 5.888 3.582 1.421
29 1HB CYS 50 2HB CYS 50 8.095 2.715 3.284
30 2HB CYS 50 3HB CYS 50 6.933 3.941 3.788
31 H ALA 51 H ALA 51 7.778 4.602 -0.492
32 HA ALA 51 HA ALA 51 9.056 6.921 0.876
33 1HB ALA 51 3HB ALA 51 10.183 5.326 -0.811
34 2HB ALA 51 1HB ALA 51 9.205 6.131 -2.039
35 3HB ALA 51 2HB ALA 51 10.379 7.055 -1.101
36 H SER 52 H SER 52 7.266 6.447 -2.199
37 HA SER 52 HA SER 52 6.127 9.185 -1.875
38 1HB SER 52 2HB SER 52 7.088 7.504 -4.027
39 2HB SER 52 3HB SER 52 5.443 8.035 -4.363
40 HG SER 52 HG SER 52 6.371 10.180 -3.600
41 H SER 53 H SER 53 5.110 6.829 -0.350
42 HA SER 53 HA SER 53 3.061 5.705 0.075
43 1HB SER 53 2HB SER 53 2.826 8.523 -0.219
44 2HB SER 53 3HB SER 53 1.385 7.814 -0.941
45 HG SER 53 HG SER 53 1.002 6.728 0.979
46 HA PRO 54 HA PRO 54 2.355 4.520 -4.314
47 1HB PRO 54 2HB PRO 54 2.644 1.834 -3.911
48 2HB PRO 54 3HB PRO 54 4.027 2.912 -4.197
49 1HG PRO 54 2HG PRO 54 3.029 1.748 -1.653
50 2HG PRO 54 3HG PRO 54 4.689 2.060 -2.179
51 1HD PRO 54 2HD PRO 54 3.283 3.649 -0.427
52 2HD PRO 54 3HD PRO 54 4.659 4.201 -1.408
53 H CYS 55 H CYS 55 0.747 4.311 -1.431
54 HA CYS 55 HA CYS 55 -1.560 2.851 -2.664
55 1HB CYS 55 2HB CYS 55 -0.494 2.885 0.174
56 2HB CYS 55 3HB CYS 55 -1.963 2.030 -0.328
57 H GLN 56 H GLN 56 -3.693 3.534 -1.450
58 HA GLN 56 HA GLN 56 -3.608 6.437 -0.756
59 1HB GLN 56 2HB GLN 56 -5.482 5.022 -2.680
60 2HB GLN 56 3HB GLN 56 -5.545 6.734 -2.267
61 1HG GLN 56 2HG GLN 56 -3.852 7.242 -3.676
62 2HG GLN 56 3HG GLN 56 -2.891 5.865 -3.146
63 1HE2 GLN 56 1HE2 GLN 56 -4.597 3.630 -5.533
64 2HE2 GLN 56 2HE2 GLN 56 -4.210 3.643 -3.871
65 H ASN 57 H ASN 57 -6.195 6.947 -0.312
66 HA ASN 57 HA ASN 57 -7.919 6.675 1.277
67 1HB ASN 57 2HB ASN 57 -7.254 3.778 0.644
68 2HB ASN 57 3HB ASN 57 -8.743 4.333 1.411
69 1HD2 ASN 57 1HD2 ASN 57 -8.488 4.428 -2.589
70 2HD2 ASN 57 2HD2 ASN 57 -7.380 3.592 -1.599
71 H GLY 58 H GLY 58 -5.182 6.949 2.192
72 1HA GLY 58 2HA GLY 58 -3.951 6.770 4.174
73 2HA GLY 58 3HA GLY 58 -5.485 6.381 4.952
74 H GLY 59 H GLY 59 -4.090 4.435 2.332
75 1HA GLY 59 2HA GLY 59 -4.308 2.048 3.968
76 2HA GLY 59 3HA GLY 59 -3.563 2.135 2.363
77 H SER 60 H SER 60 -2.710 1.098 5.214
78 HA SER 60 HA SER 60 -0.276 2.644 5.744
79 1HB SER 60 2HB SER 60 -1.050 -0.124 6.699
80 2HB SER 60 3HB SER 60 0.033 1.017 7.491
81 HG SER 60 HG SER 60 -2.759 0.994 7.310
82 H CYS 61 H CYS 61 1.483 2.438 4.420
83 HA CYS 61 HA CYS 61 1.738 0.172 2.600
84 1HB CYS 61 2HB CYS 61 3.624 1.435 1.749
85 2HB CYS 61 3HB CYS 61 2.325 2.571 2.106
86 H LYS 62 H LYS 62 2.568 -1.742 3.223
87 HA LYS 62 HA LYS 62 4.440 -1.835 5.549
88 1HB LYS 62 2HB LYS 62 2.347 -3.233 5.407
89 2HB LYS 62 3HB LYS 62 3.055 -4.050 4.016
90 1HG LYS 62 2HG LYS 62 4.279 -5.380 5.353
91 2HG LYS 62 3HG LYS 62 4.964 -3.978 6.176
92 1HD LYS 62 2HD LYS 62 2.662 -3.871 7.396
93 2HD LYS 62 3HD LYS 62 2.492 -5.546 6.869
94 1HE LYS 62 2HE LYS 62 3.623 -6.006 8.814
95 2HE LYS 62 3HE LYS 62 5.055 -5.552 7.868
96 1HZ LYS 62 1HZ LYS 62 3.406 -3.457 9.113
97 2HZ LYS 62 2HZ LYS 62 4.538 -4.295 10.063
98 3HZ LYS 62 3HZ LYS 62 5.055 -3.423 8.703
99 H ASP 63 H ASP 63 6.558 -2.597 5.285
100 HA ASP 63 HA ASP 63 7.514 -2.811 2.474
101 1HB ASP 63 2HB ASP 63 9.646 -2.251 3.428
102 2HB ASP 63 3HB ASP 63 8.456 -1.233 4.241
103 H GLN 64 H GLN 64 7.872 -4.822 1.636
104 HA GLN 64 HA GLN 64 8.828 -6.967 3.483
105 1HB GLN 64 2HB GLN 64 7.152 -8.107 1.442
106 2HB GLN 64 3HB GLN 64 6.947 -8.173 3.186
107 1HG GLN 64 2HG GLN 64 5.970 -5.753 2.905
108 2HG GLN 64 3HG GLN 64 5.762 -6.229 1.219
109 1HE2 GLN 64 1HE2 GLN 64 3.505 -8.065 4.115
110 2HE2 GLN 64 2HE2 GLN 64 4.899 -7.188 4.561
111 H LEU 65 H LEU 65 9.931 -8.734 2.304
112 HA LEU 65 HA LEU 65 11.936 -7.923 0.549
113 1HB LEU 65 2HB LEU 65 11.961 -10.015 1.764
114 2HB LEU 65 3HB LEU 65 10.543 -10.587 0.884
115 HG LEU 65 HG LEU 65 12.117 -10.075 -1.219
116 1HD1 LEU 65 3HD1 LEU 65 13.857 -9.624 0.931
117 2HD1 LEU 65 1HD1 LEU 65 14.292 -11.224 0.331
118 3HD1 LEU 65 2HD1 LEU 65 14.312 -9.838 -0.760
119 1HD2 LEU 65 1HD2 LEU 65 11.079 -12.250 -0.633
120 2HD2 LEU 65 2HD2 LEU 65 12.740 -12.459 -1.189
121 3HD2 LEU 65 3HD2 LEU 65 12.368 -12.541 0.533
122 H GLN 66 H GLN 66 9.758 -10.286 -0.776
123 HA GLN 66 HA GLN 66 9.940 -9.843 -3.446
124 1HB GLN 66 2HB GLN 66 7.582 -10.621 -3.576
125 2HB GLN 66 3HB GLN 66 8.501 -11.516 -2.364
126 1HG GLN 66 2HG GLN 66 7.622 -9.661 -0.726
127 2HG GLN 66 3HG GLN 66 6.389 -9.417 -1.965
128 1HE2 GLN 66 1HE2 GLN 66 4.753 -11.960 0.005
129 2HE2 GLN 66 2HE2 GLN 66 4.926 -10.277 -0.127
130 H SER 67 H SER 67 8.270 -7.691 -1.197
131 HA SER 67 HA SER 67 8.439 -5.376 -2.795
132 1HB SER 67 2HB SER 67 6.547 -7.327 -3.736
133 2HB SER 67 3HB SER 67 5.665 -5.898 -3.206
134 HG SER 67 HG SER 67 6.242 -5.354 -5.207
135 H TYR 68 H TYR 68 5.816 -4.275 -2.257
136 HA TYR 68 HA TYR 68 5.800 -4.393 0.741
137 1HB TYR 68 2HB TYR 68 5.342 -1.998 0.675
138 2HB TYR 68 3HB TYR 68 6.765 -2.337 -0.310
139 HD1 TYR 68 HD1 TYR 68 3.028 -2.090 -0.620
140 HD2 TYR 68 HD2 TYR 68 6.850 -1.477 -2.481
141 HE1 TYR 68 HE1 TYR 68 1.910 -1.057 -2.576
142 HE2 TYR 68 HE2 TYR 68 5.730 -0.440 -4.436
143 HH TYR 68 HH TYR 68 3.726 -0.157 -5.467
144 H ILE 69 H ILE 69 3.745 -4.382 1.739
145 HA ILE 69 HA ILE 69 1.401 -4.685 -0.111
146 HB ILE 69 HB ILE 69 2.242 -6.774 0.954
147 1HG1 ILE 69 2HG1 ILE 69 -0.360 -6.003 2.267
148 2HG1 ILE 69 3HG1 ILE 69 -0.246 -6.224 0.519
149 1HG2 ILE 69 3HG2 ILE 69 3.117 -5.624 3.008
150 2HG2 ILE 69 1HG2 ILE 69 1.451 -5.431 3.552
151 3HG2 ILE 69 2HG2 ILE 69 2.134 -7.044 3.359
152 1HD1 ILE 69 1HD1 ILE 69 1.064 -8.380 1.965
153 2HD1 ILE 69 2HD1 ILE 69 -0.637 -8.240 2.409
154 3HD1 ILE 69 3HD1 ILE 69 -0.182 -8.467 0.720
155 H CYS 70 H CYS 70 -0.099 -3.092 0.238
156 HA CYS 70 HA CYS 70 0.065 -1.464 2.696
157 1HB CYS 70 2HB CYS 70 -1.397 -1.278 0.073
158 2HB CYS 70 3HB CYS 70 -1.605 -0.103 1.370
159 H PHE 71 H PHE 71 -1.258 -1.893 4.408
160 HA PHE 71 HA PHE 71 -3.566 -3.707 4.097
161 1HB PHE 71 2HB PHE 71 -2.166 -2.291 6.377
162 2HB PHE 71 3HB PHE 71 -3.649 -3.220 6.620
163 HD1 PHE 71 HD1 PHE 71 -0.152 -3.454 5.343
164 HD2 PHE 71 HD2 PHE 71 -3.608 -5.590 6.740
165 HE1 PHE 71 HE1 PHE 71 1.168 -5.553 5.400
166 HE2 PHE 71 HE2 PHE 71 -2.288 -7.688 6.796
167 HZ PHE 71 HZ PHE 71 0.100 -7.670 6.126
168 H CYS 72 H CYS 72 -4.707 -2.096 2.665
169 HA CYS 72 HA CYS 72 -5.477 0.508 3.427
170 1HB CYS 72 2HB CYS 72 -5.876 -1.183 1.321
171 2HB CYS 72 3HB CYS 72 -7.494 -1.145 2.030
172 H LEU 73 H LEU 73 -8.315 0.412 3.371
173 HA LEU 73 HA LEU 73 -8.864 -0.577 6.142
174 1HB LEU 73 2HB LEU 73 -10.333 1.503 4.494
175 2HB LEU 73 3HB LEU 73 -10.424 1.260 6.238
176 HG LEU 73 HG LEU 73 -7.795 1.927 4.898
177 1HD1 LEU 73 1HD1 LEU 73 -9.928 3.841 5.904
178 2HD1 LEU 73 2HD1 LEU 73 -8.267 4.305 5.538
179 3HD1 LEU 73 3HD1 LEU 73 -9.321 3.715 4.253
180 1HD2 LEU 73 1HD2 LEU 73 -8.027 1.045 7.307
181 2HD2 LEU 73 2HD2 LEU 73 -7.134 2.553 7.102
182 3HD2 LEU 73 3HD2 LEU 73 -8.801 2.587 7.678
183 HA PRO 74 HA PRO 74 -12.149 -3.199 4.887
184 1HB PRO 74 2HB PRO 74 -14.304 -1.541 6.039
185 2HB PRO 74 3HB PRO 74 -13.765 -3.167 6.507
186 1HG PRO 74 2HG PRO 74 -13.297 -0.990 8.021
187 2HG PRO 74 3HG PRO 74 -12.198 -2.376 7.962
188 1HD PRO 74 2HD PRO 74 -11.932 0.300 6.691
189 2HD PRO 74 3HD PRO 74 -10.678 -0.769 7.360
190 H ALA 75 H ALA 75 -12.172 0.053 3.893
191 HA ALA 75 HA ALA 75 -14.531 -0.119 2.149
192 1HB ALA 75 1HB ALA 75 -12.315 1.865 2.682
193 2HB ALA 75 2HB ALA 75 -13.504 2.133 1.407
194 3HB ALA 75 3HB ALA 75 -14.026 2.006 3.088
195 H PHE 76 H PHE 76 -11.016 -0.431 1.843
196 HA PHE 76 HA PHE 76 -11.382 -1.029 -1.066
197 1HB PHE 76 2HB PHE 76 -8.834 -0.189 0.327
198 2HB PHE 76 3HB PHE 76 -9.211 -0.093 -1.396
199 HD1 PHE 76 HD1 PHE 76 -10.191 1.248 1.948
200 HD2 PHE 76 HD2 PHE 76 -10.250 1.829 -2.307
201 HE1 PHE 76 HE1 PHE 76 -11.098 3.533 2.274
202 HE2 PHE 76 HE2 PHE 76 -11.160 4.113 -1.982
203 HZ PHE 76 HZ PHE 76 -11.582 4.965 0.309
204 H GLU 77 H GLU 77 -9.591 -2.595 -1.867
205 HA GLU 77 HA GLU 77 -8.546 -4.481 0.137
206 1HB GLU 77 2HB GLU 77 -11.142 -4.792 -0.686
207 2HB GLU 77 3HB GLU 77 -10.288 -5.800 -1.854
208 1HG GLU 77 2HG GLU 77 -9.371 -6.108 0.935
209 2HG GLU 77 3HG GLU 77 -11.027 -6.641 0.641
210 H GLY 78 H GLY 78 -6.744 -3.375 -1.274
211 1HA GLY 78 2HA GLY 78 -5.923 -5.341 -3.291
212 2HA GLY 78 3HA GLY 78 -6.206 -3.720 -3.928
213 H ARG 79 H ARG 79 -3.650 -4.853 -4.035
214 HA ARG 79 HA ARG 79 -1.874 -4.374 -1.913
215 1HB ARG 79 2HB ARG 79 -1.594 -5.323 -4.333
216 2HB ARG 79 3HB ARG 79 -1.243 -3.651 -4.771
217 1HG ARG 79 2HG ARG 79 0.671 -3.562 -3.401
218 2HG ARG 79 3HG ARG 79 0.169 -4.964 -2.455
219 1HD ARG 79 2HD ARG 79 2.019 -5.495 -4.074
220 2HD ARG 79 3HD ARG 79 0.548 -6.436 -4.392
221 HE ARG 79 HE ARG 79 -0.001 -4.816 -6.188
222 1HH1 ARG 79 1HH2 ARG 79 1.536 -2.449 -5.562
223 2HH1 ARG 79 2HH2 ARG 79 2.951 -2.590 -6.550
224 1HH2 ARG 79 1HH1 ARG 79 2.523 -5.980 -7.143
225 2HH2 ARG 79 2HH1 ARG 79 3.510 -4.590 -7.445
226 H ASN 80 H ASN 80 -3.517 -2.069 -3.989
227 HA ASN 80 HA ASN 80 -2.239 0.155 -2.439
228 1HB ASN 80 2HB ASN 80 -2.612 -0.183 -5.426
229 2HB ASN 80 3HB ASN 80 -2.274 1.383 -4.688
230 1HD2 ASN 80 1HD2 ASN 80 1.137 0.466 -5.227
231 2HD2 ASN 80 2HD2 ASN 80 -0.155 1.420 -5.806
232 H CYS 81 H CYS 81 -4.934 -1.242 -2.351
233 HA CYS 81 HA CYS 81 -7.179 -0.576 -2.033
234 1HB CYS 81 2HB CYS 81 -6.025 2.211 -2.325
235 2HB CYS 81 3HB CYS 81 -7.470 1.738 -1.432
236 H GLU 82 H GLU 82 -5.639 -0.474 -4.846
237 HA GLU 82 HA GLU 82 -7.157 1.324 -6.497
238 1HB GLU 82 2HB GLU 82 -5.149 0.557 -7.407
239 2HB GLU 82 3HB GLU 82 -5.406 -1.094 -6.837
240 1HG GLU 82 2HG GLU 82 -7.265 -1.324 -8.501
241 2HG GLU 82 3HG GLU 82 -6.854 0.274 -9.125
242 H THR 83 H THR 83 -8.057 -1.541 -4.886
243 HA THR 83 HA THR 83 -10.238 -2.130 -6.844
244 HB THR 83 HB THR 83 -8.981 -3.636 -4.534
245 HG1 THR 83 HG1 THR 83 -7.955 -4.642 -6.071
246 1HG2 THR 83 3HG2 THR 83 -11.633 -3.856 -5.538
247 2HG2 THR 83 1HG2 THR 83 -10.732 -5.258 -6.117
248 3HG2 THR 83 2HG2 THR 83 -10.817 -4.918 -4.388
249 H HIS 84 H HIS 84 -10.882 0.161 -5.639
250 HA HIS 84 HA HIS 84 -11.921 0.352 -3.080
251 1HB HIS 84 2HB HIS 84 -12.004 2.206 -4.581
252 2HB HIS 84 3HB HIS 84 -12.945 1.298 -5.766
253 HD1 HIS 84 HD1 HIS 84 -15.478 0.863 -5.204
254 HD2 HIS 84 HD2 HIS 84 -13.523 3.362 -2.499
255 HE1 HIS 84 HE1 HIS 84 -17.285 1.972 -3.820
256 H LYS 85 H LYS 85 -13.079 -1.255 -2.056
257 HA LYS 85 HA LYS 85 -14.678 -3.255 -3.235
258 1HB LYS 85 2HB LYS 85 -14.918 -1.860 -0.546
259 2HB LYS 85 3HB LYS 85 -15.630 -3.430 -0.938
260 1HG LYS 85 2HG LYS 85 -13.505 -4.456 -1.180
261 2HG LYS 85 3HG LYS 85 -12.674 -2.902 -1.272
262 1HD LYS 85 2HD LYS 85 -12.291 -3.119 0.943
263 2HD LYS 85 3HD LYS 85 -14.010 -2.791 1.168
264 1HE LYS 85 2HE LYS 85 -13.305 -5.595 0.456
265 2HE LYS 85 3HE LYS 85 -12.853 -5.055 2.086
266 1HZ LYS 85 1HZ LYS 85 -15.528 -4.618 0.869
267 2HZ LYS 85 2HZ LYS 85 -15.171 -5.897 1.930
268 3HZ LYS 85 3HZ LYS 85 -15.068 -4.293 2.472
No H/Q in entry = 268
Start of MODEL 19
1 1H SER 45 2H SER 45 12.632 3.693 2.073
2 2H SER 45 1H SER 45 12.368 2.793 3.490
3 3H SER 45 3H SER 45 11.516 4.239 3.226
4 HA SER 45 HA SER 45 13.172 4.858 4.741
5 1HB SER 45 2HB SER 45 14.965 3.159 2.976
6 2HB SER 45 3HB SER 45 15.482 3.999 4.434
7 HG SER 45 HG SER 45 13.487 2.721 5.287
8 H ASP 46 H ASP 46 12.119 6.461 2.878
9 HA ASP 46 HA ASP 46 12.569 8.402 1.605
10 1HB ASP 46 2HB ASP 46 14.853 7.833 3.327
11 2HB ASP 46 3HB ASP 46 15.343 8.684 1.862
12 H GLY 47 H GLY 47 12.355 6.132 0.067
13 1HA GLY 47 2HA GLY 47 13.007 6.314 -2.398
14 2HA GLY 47 3HA GLY 47 14.673 6.306 -1.817
15 H ASP 48 H ASP 48 11.710 4.337 -1.347
16 HA ASP 48 HA ASP 48 13.320 1.912 -1.988
17 1HB ASP 48 2HB ASP 48 11.878 2.591 0.575
18 2HB ASP 48 3HB ASP 48 12.162 0.911 0.115
19 H GLN 49 H GLN 49 10.205 1.847 -0.380
20 HA GLN 49 HA GLN 49 8.862 1.256 -2.989
21 1HB GLN 49 2HB GLN 49 8.843 -0.299 -0.404
22 2HB GLN 49 3HB GLN 49 7.717 -0.611 -1.727
23 1HG GLN 49 2HG GLN 49 9.376 -1.432 -3.125
24 2HG GLN 49 3HG GLN 49 10.650 -0.505 -2.331
25 1HE2 GLN 49 1HE2 GLN 49 10.549 -2.907 0.539
26 2HE2 GLN 49 2HE2 GLN 49 10.279 -1.232 0.361
27 H CYS 50 H CYS 50 8.280 1.801 0.505
28 HA CYS 50 HA CYS 50 5.568 2.794 0.026
29 1HB CYS 50 2HB CYS 50 7.440 2.635 2.402
30 2HB CYS 50 3HB CYS 50 5.806 3.290 2.523
31 H ALA 51 H ALA 51 8.583 4.146 -0.454
32 HA ALA 51 HA ALA 51 8.488 6.734 0.665
33 1HB ALA 51 3HB ALA 51 10.004 5.261 -1.179
34 2HB ALA 51 1HB ALA 51 9.467 6.680 -2.078
35 3HB ALA 51 2HB ALA 51 10.375 6.878 -0.579
36 H SER 52 H SER 52 7.284 5.701 -2.554
37 HA SER 52 HA SER 52 6.005 8.256 -3.093
38 1HB SER 52 2HB SER 52 5.481 7.232 -5.139
39 2HB SER 52 3HB SER 52 6.910 6.331 -4.640
40 HG SER 52 HG SER 52 4.928 5.123 -5.316
41 H SER 53 H SER 53 5.179 5.598 -1.136
42 HA SER 53 HA SER 53 3.215 5.162 0.111
43 1HB SER 53 2HB SER 53 3.225 7.923 -0.624
44 2HB SER 53 3HB SER 53 1.576 7.329 -0.802
45 HG SER 53 HG SER 53 1.485 6.919 1.296
46 HA PRO 54 HA PRO 54 1.476 3.545 -3.895
47 1HB PRO 54 2HB PRO 54 1.392 0.935 -2.940
48 2HB PRO 54 3HB PRO 54 2.727 1.620 -3.890
49 1HG PRO 54 2HG PRO 54 2.519 1.174 -0.967
50 2HG PRO 54 3HG PRO 54 3.929 1.070 -2.030
51 1HD PRO 54 2HD PRO 54 3.478 3.162 -0.356
52 2HD PRO 54 3HD PRO 54 4.367 3.315 -1.887
53 H CYS 55 H CYS 55 0.720 2.277 -0.621
54 HA CYS 55 HA CYS 55 -1.999 1.647 -1.028
55 1HB CYS 55 2HB CYS 55 -0.191 1.606 1.019
56 2HB CYS 55 3HB CYS 55 -1.258 2.912 1.546
57 H GLN 56 H GLN 56 -3.913 2.882 -0.822
58 HA GLN 56 HA GLN 56 -3.602 5.841 -0.592
59 1HB GLN 56 2HB GLN 56 -5.201 4.224 -2.601
60 2HB GLN 56 3HB GLN 56 -5.252 5.983 -2.466
61 1HG GLN 56 2HG GLN 56 -3.156 6.253 -3.362
62 2HG GLN 56 3HG GLN 56 -2.565 4.728 -2.701
63 1HE2 GLN 56 1HE2 GLN 56 -5.044 3.903 -5.813
64 2HE2 GLN 56 2HE2 GLN 56 -5.625 4.651 -4.394
65 H ASN 57 H ASN 57 -6.010 6.772 -0.487
66 HA ASN 57 HA ASN 57 -7.973 6.944 0.814
67 1HB ASN 57 2HB ASN 57 -7.847 3.924 0.530
68 2HB ASN 57 3HB ASN 57 -9.292 4.885 0.850
69 1HD2 ASN 57 1HD2 ASN 57 -8.514 4.191 -2.924
70 2HD2 ASN 57 2HD2 ASN 57 -8.160 3.180 -1.596
71 H GLY 58 H GLY 58 -5.474 6.869 2.248
72 1HA GLY 58 2HA GLY 58 -4.875 6.839 4.527
73 2HA GLY 58 3HA GLY 58 -6.480 6.205 4.892
74 H GLY 59 H GLY 59 -4.727 4.463 2.486
75 1HA GLY 59 2HA GLY 59 -4.577 2.149 4.288
76 2HA GLY 59 3HA GLY 59 -4.151 2.158 2.571
77 H SER 60 H SER 60 -2.660 1.255 5.110
78 HA SER 60 HA SER 60 -0.295 3.046 5.084
79 1HB SER 60 2HB SER 60 -0.540 0.468 6.605
80 2HB SER 60 3HB SER 60 0.231 1.975 7.093
81 HG SER 60 HG SER 60 -1.592 2.453 8.003
82 H CYS 61 H CYS 61 1.446 2.608 3.788
83 HA CYS 61 HA CYS 61 1.543 0.168 2.174
84 1HB CYS 61 2HB CYS 61 2.202 2.328 1.268
85 2HB CYS 61 3HB CYS 61 3.383 2.550 2.557
86 H LYS 62 H LYS 62 2.959 -1.577 2.465
87 HA LYS 62 HA LYS 62 4.532 -1.579 5.021
88 1HB LYS 62 2HB LYS 62 2.606 -3.187 4.673
89 2HB LYS 62 3HB LYS 62 3.536 -3.905 3.358
90 1HG LYS 62 2HG LYS 62 3.917 -5.193 5.388
91 2HG LYS 62 3HG LYS 62 5.399 -4.343 4.952
92 1HD LYS 62 2HD LYS 62 4.879 -2.570 6.574
93 2HD LYS 62 3HD LYS 62 3.370 -3.381 6.992
94 1HE LYS 62 2HE LYS 62 4.578 -4.447 8.603
95 2HE LYS 62 3HE LYS 62 5.292 -5.387 7.278
96 1HZ LYS 62 3HZ LYS 62 6.677 -3.160 7.033
97 2HZ LYS 62 1HZ LYS 62 6.370 -3.076 8.702
98 3HZ LYS 62 2HZ LYS 62 7.177 -4.420 8.057
99 H ASP 63 H ASP 63 6.687 -2.363 4.962
100 HA ASP 63 HA ASP 63 7.896 -2.543 2.223
101 1HB ASP 63 2HB ASP 63 8.627 -0.613 3.506
102 2HB ASP 63 3HB ASP 63 8.962 -1.623 4.912
103 H GLN 64 H GLN 64 8.144 -4.730 1.800
104 HA GLN 64 HA GLN 64 9.052 -6.495 4.035
105 1HB GLN 64 2HB GLN 64 8.430 -7.939 1.628
106 2HB GLN 64 3HB GLN 64 7.580 -7.969 3.167
107 1HG GLN 64 2HG GLN 64 6.296 -5.948 2.468
108 2HG GLN 64 3HG GLN 64 7.112 -6.004 0.903
109 1HE2 GLN 64 1HE2 GLN 64 4.090 -8.626 1.700
110 2HE2 GLN 64 2HE2 GLN 64 4.673 -7.576 2.913
111 H LEU 65 H LEU 65 10.599 -8.288 3.254
112 HA LEU 65 HA LEU 65 12.968 -7.032 2.145
113 1HB LEU 65 2HB LEU 65 12.616 -8.915 3.936
114 2HB LEU 65 3HB LEU 65 12.585 -9.987 2.535
115 HG LEU 65 HG LEU 65 14.786 -7.984 2.643
116 1HD1 LEU 65 1HD1 LEU 65 14.300 -10.024 4.718
117 2HD1 LEU 65 2HD1 LEU 65 15.903 -10.099 3.989
118 3HD1 LEU 65 3HD1 LEU 65 15.352 -8.610 4.756
119 1HD2 LEU 65 3HD2 LEU 65 14.475 -10.885 1.822
120 2HD2 LEU 65 1HD2 LEU 65 14.685 -9.490 0.763
121 3HD2 LEU 65 2HD2 LEU 65 16.017 -10.032 1.784
122 H GLN 66 H GLN 66 10.332 -8.764 0.791
123 HA GLN 66 HA GLN 66 11.860 -9.507 -1.646
124 1HB GLN 66 2HB GLN 66 10.458 -11.271 -1.319
125 2HB GLN 66 3HB GLN 66 9.462 -10.357 -0.192
126 1HG GLN 66 2HG GLN 66 8.079 -10.962 -2.077
127 2HG GLN 66 3HG GLN 66 8.392 -9.228 -2.173
128 1HE2 GLN 66 1HE2 GLN 66 10.548 -11.602 -4.764
129 2HE2 GLN 66 2HE2 GLN 66 10.263 -12.155 -3.184
130 H SER 67 H SER 67 9.499 -7.221 -0.454
131 HA SER 67 HA SER 67 9.884 -5.350 -2.581
132 1HB SER 67 2HB SER 67 7.698 -5.722 -3.742
133 2HB SER 67 3HB SER 67 8.778 -7.103 -3.897
134 HG SER 67 HG SER 67 7.535 -7.623 -1.739
135 H TYR 68 H TYR 68 6.599 -5.290 -2.138
136 HA TYR 68 HA TYR 68 6.517 -4.273 0.610
137 1HB TYR 68 2HB TYR 68 5.897 -1.968 -0.165
138 2HB TYR 68 3HB TYR 68 7.560 -2.416 -0.565
139 HD1 TYR 68 HD1 TYR 68 4.169 -1.846 -1.897
140 HD2 TYR 68 HD2 TYR 68 8.223 -2.885 -2.868
141 HE1 TYR 68 HE1 TYR 68 3.691 -1.464 -4.301
142 HE2 TYR 68 HE2 TYR 68 7.746 -2.504 -5.272
143 HH TYR 68 HH TYR 68 4.728 -1.088 -6.343
144 H ILE 69 H ILE 69 4.353 -4.138 1.338
145 HA ILE 69 HA ILE 69 2.228 -4.690 -0.700
146 HB ILE 69 HB ILE 69 3.029 -6.747 0.424
147 1HG1 ILE 69 2HG1 ILE 69 0.505 -6.139 -0.120
148 2HG1 ILE 69 3HG1 ILE 69 0.910 -7.628 0.729
149 1HG2 ILE 69 3HG2 ILE 69 3.770 -5.642 2.518
150 2HG2 ILE 69 1HG2 ILE 69 2.083 -5.397 2.967
151 3HG2 ILE 69 2HG2 ILE 69 2.731 -7.031 2.831
152 1HD1 ILE 69 1HD1 ILE 69 0.106 -5.029 2.075
153 2HD1 ILE 69 2HD1 ILE 69 -0.960 -6.410 1.824
154 3HD1 ILE 69 3HD1 ILE 69 0.440 -6.559 2.884
155 H CYS 70 H CYS 70 0.675 -3.137 -0.525
156 HA CYS 70 HA CYS 70 0.567 -1.358 1.764
157 1HB CYS 70 2HB CYS 70 0.020 -0.157 -0.064
158 2HB CYS 70 3HB CYS 70 -0.375 -1.602 -0.951
159 H PHE 71 H PHE 71 -1.460 -0.949 2.901
160 HA PHE 71 HA PHE 71 -3.284 -3.300 3.176
161 1HB PHE 71 2HB PHE 71 -1.522 -1.930 5.190
162 2HB PHE 71 3HB PHE 71 -3.057 -2.619 5.729
163 HD1 PHE 71 HD1 PHE 71 -3.538 -5.072 4.744
164 HD2 PHE 71 HD2 PHE 71 0.346 -3.308 5.238
165 HE1 PHE 71 HE1 PHE 71 -2.518 -7.331 4.770
166 HE2 PHE 71 HE2 PHE 71 1.368 -5.568 5.265
167 HZ PHE 71 HZ PHE 71 -0.063 -7.580 5.032
168 H CYS 72 H CYS 72 -5.169 -2.290 2.450
169 HA CYS 72 HA CYS 72 -5.742 0.513 3.157
170 1HB CYS 72 2HB CYS 72 -7.653 -1.413 1.860
171 2HB CYS 72 3HB CYS 72 -7.453 0.310 1.557
172 H LEU 73 H LEU 73 -8.584 0.215 3.403
173 HA LEU 73 HA LEU 73 -8.771 -1.011 6.135
174 1HB LEU 73 2HB LEU 73 -10.515 1.174 4.979
175 2HB LEU 73 3HB LEU 73 -10.232 0.792 6.676
176 HG LEU 73 HG LEU 73 -8.063 1.784 4.806
177 1HD1 LEU 73 1HD1 LEU 73 -9.773 3.308 6.797
178 2HD1 LEU 73 2HD1 LEU 73 -8.346 3.959 5.990
179 3HD1 LEU 73 3HD1 LEU 73 -9.771 3.523 5.046
180 1HD2 LEU 73 1HD2 LEU 73 -7.516 0.447 6.937
181 2HD2 LEU 73 2HD2 LEU 73 -6.754 2.029 6.786
182 3HD2 LEU 73 3HD2 LEU 73 -8.159 1.824 7.831
183 HA PRO 74 HA PRO 74 -12.222 -3.463 4.959
184 1HB PRO 74 2HB PRO 74 -14.246 -1.934 6.464
185 2HB PRO 74 3HB PRO 74 -13.664 -3.590 6.731
186 1HG PRO 74 2HG PRO 74 -13.061 -1.538 8.378
187 2HG PRO 74 3HG PRO 74 -11.987 -2.920 8.119
188 1HD PRO 74 2HD PRO 74 -11.786 -0.150 7.060
189 2HD PRO 74 3HD PRO 74 -10.499 -1.287 7.518
190 H ALA 75 H ALA 75 -12.276 -0.120 4.341
191 HA ALA 75 HA ALA 75 -14.763 -0.122 2.756
192 1HB ALA 75 1HB ALA 75 -12.590 1.865 3.445
193 2HB ALA 75 2HB ALA 75 -13.899 2.264 2.331
194 3HB ALA 75 3HB ALA 75 -14.262 1.848 4.007
195 H PHE 76 H PHE 76 -11.262 -0.245 2.220
196 HA PHE 76 HA PHE 76 -11.794 -0.402 -0.723
197 1HB PHE 76 2HB PHE 76 -9.207 0.400 0.629
198 2HB PHE 76 3HB PHE 76 -9.701 0.703 -1.040
199 HD1 PHE 76 HD1 PHE 76 -11.528 2.334 -1.529
200 HD2 PHE 76 HD2 PHE 76 -9.920 1.827 2.421
201 HE1 PHE 76 HE1 PHE 76 -12.540 4.489 -0.841
202 HE2 PHE 76 HE2 PHE 76 -10.931 3.984 3.110
203 HZ PHE 76 HZ PHE 76 -12.241 5.315 1.480
204 H GLU 77 H GLU 77 -10.110 -1.746 -1.893
205 HA GLU 77 HA GLU 77 -9.011 -3.965 -0.214
206 1HB GLU 77 2HB GLU 77 -11.350 -4.210 -1.507
207 2HB GLU 77 3HB GLU 77 -10.273 -4.570 -2.856
208 1HG GLU 77 2HG GLU 77 -10.932 -6.620 -1.604
209 2HG GLU 77 3HG GLU 77 -9.191 -6.341 -1.564
210 H GLY 78 H GLY 78 -8.470 -5.276 -2.950
211 1HA GLY 78 2HA GLY 78 -6.658 -5.356 -4.440
212 2HA GLY 78 3HA GLY 78 -6.826 -3.603 -4.540
213 H ARG 79 H ARG 79 -4.317 -5.028 -4.527
214 HA ARG 79 HA ARG 79 -3.051 -5.050 -1.960
215 1HB ARG 79 2HB ARG 79 -2.044 -4.684 -4.797
216 2HB ARG 79 3HB ARG 79 -0.981 -4.949 -3.414
217 1HG ARG 79 2HG ARG 79 -2.246 -7.062 -2.924
218 2HG ARG 79 3HG ARG 79 -3.138 -6.821 -4.426
219 1HD ARG 79 2HD ARG 79 -1.351 -8.267 -5.044
220 2HD ARG 79 3HD ARG 79 -0.780 -6.661 -5.537
221 HE ARG 79 HE ARG 79 -0.058 -7.852 -2.885
222 1HH1 ARG 79 1HH2 ARG 79 1.080 -5.448 -2.570
223 2HH1 ARG 79 2HH2 ARG 79 2.519 -5.387 -3.532
224 1HH2 ARG 79 1HH1 ARG 79 1.619 -8.081 -5.523
225 2HH2 ARG 79 2HH1 ARG 79 2.823 -6.877 -5.204
226 H ASN 80 H ASN 80 -3.805 -2.431 -4.171
227 HA ASN 80 HA ASN 80 -2.272 -0.551 -2.392
228 1HB ASN 80 2HB ASN 80 -2.929 -0.345 -5.351
229 2HB ASN 80 3HB ASN 80 -1.934 0.782 -4.428
230 1HD2 ASN 80 1HD2 ASN 80 0.973 -1.177 -4.766
231 2HD2 ASN 80 2HD2 ASN 80 0.279 0.319 -4.331
232 H CYS 81 H CYS 81 -5.222 -1.519 -2.415
233 HA CYS 81 HA CYS 81 -7.290 -0.477 -1.903
234 1HB CYS 81 2HB CYS 81 -5.772 2.132 -2.046
235 2HB CYS 81 3HB CYS 81 -7.147 1.723 -1.021
236 H GLU 82 H GLU 82 -5.761 -0.346 -4.746
237 HA GLU 82 HA GLU 82 -6.972 1.795 -6.206
238 1HB GLU 82 2HB GLU 82 -5.140 0.711 -7.196
239 2HB GLU 82 3HB GLU 82 -5.764 -0.896 -6.814
240 1HG GLU 82 2HG GLU 82 -7.620 -0.501 -8.454
241 2HG GLU 82 3HG GLU 82 -6.845 1.020 -8.903
242 H THR 83 H THR 83 -8.339 -1.056 -4.866
243 HA THR 83 HA THR 83 -10.683 -0.901 -6.727
244 HB THR 83 HB THR 83 -9.605 -3.068 -4.898
245 HG1 THR 83 HG1 THR 83 -8.472 -3.274 -6.669
246 1HG2 THR 83 3HG2 THR 83 -12.191 -2.841 -5.208
247 2HG2 THR 83 1HG2 THR 83 -11.871 -3.438 -6.837
248 3HG2 THR 83 2HG2 THR 83 -11.437 -4.419 -5.438
249 H HIS 84 H HIS 84 -11.778 0.830 -5.614
250 HA HIS 84 HA HIS 84 -12.239 0.848 -2.761
251 1HB HIS 84 2HB HIS 84 -13.807 2.126 -5.025
252 2HB HIS 84 3HB HIS 84 -13.776 2.656 -3.343
253 HD1 HIS 84 HD1 HIS 84 -11.808 2.747 -6.509
254 HD2 HIS 84 HD2 HIS 84 -11.307 3.904 -2.535
255 HE1 HIS 84 HE1 HIS 84 -9.775 4.256 -6.453
256 H LYS 85 H LYS 85 -13.624 -0.486 -1.661
257 HA LYS 85 HA LYS 85 -15.296 -2.441 -2.891
258 1HB LYS 85 2HB LYS 85 -15.442 -1.158 -0.140
259 2HB LYS 85 3HB LYS 85 -16.132 -2.723 -0.585
260 1HG LYS 85 2HG LYS 85 -13.846 -3.517 -1.191
261 2HG LYS 85 3HG LYS 85 -13.192 -1.981 -0.622
262 1HD LYS 85 2HD LYS 85 -13.491 -2.514 1.580
263 2HD LYS 85 3HD LYS 85 -14.990 -3.390 1.269
264 1HE LYS 85 2HE LYS 85 -12.678 -4.714 0.054
265 2HE LYS 85 3HE LYS 85 -12.533 -4.574 1.817
266 1HZ LYS 85 3HZ LYS 85 -14.989 -5.252 1.816
267 2HZ LYS 85 1HZ LYS 85 -14.704 -5.808 0.237
268 3HZ LYS 85 2HZ LYS 85 -13.836 -6.464 1.541
No H/Q in entry = 268
Start of MODEL 20
1 1H SER 45 3H SER 45 16.841 3.665 6.073
2 2H SER 45 2H SER 45 17.881 2.490 6.716
3 3H SER 45 1H SER 45 18.523 3.905 6.029
4 HA SER 45 HA SER 45 17.843 3.256 3.842
5 1HB SER 45 2HB SER 45 19.565 1.769 5.636
6 2HB SER 45 3HB SER 45 18.937 0.708 4.379
7 HG SER 45 HG SER 45 19.615 2.344 2.864
8 H ASP 46 H ASP 46 16.992 1.353 2.523
9 HA ASP 46 HA ASP 46 15.258 -0.176 2.021
10 1HB ASP 46 2HB ASP 46 16.372 -0.793 4.596
11 2HB ASP 46 3HB ASP 46 14.635 -1.103 4.644
12 H GLY 47 H GLY 47 13.815 1.657 1.539
13 1HA GLY 47 2HA GLY 47 11.307 1.576 2.794
14 2HA GLY 47 3HA GLY 47 12.187 2.894 3.569
15 H ASP 48 H ASP 48 11.830 1.704 0.206
16 HA ASP 48 HA ASP 48 11.453 4.557 -0.635
17 1HB ASP 48 2HB ASP 48 12.264 2.135 -2.269
18 2HB ASP 48 3HB ASP 48 12.388 3.828 -2.748
19 H GLN 49 H GLN 49 10.329 1.228 -1.334
20 HA GLN 49 HA GLN 49 8.223 1.802 -3.100
21 1HB GLN 49 2HB GLN 49 8.500 -0.240 -0.897
22 2HB GLN 49 3HB GLN 49 7.274 -0.327 -2.162
23 1HG GLN 49 2HG GLN 49 8.802 -1.416 -3.415
24 2HG GLN 49 3HG GLN 49 9.665 0.118 -3.538
25 1HE2 GLN 49 1HE2 GLN 49 10.920 -2.219 -0.398
26 2HE2 GLN 49 2HE2 GLN 49 9.251 -1.941 -0.624
27 H CYS 50 H CYS 50 7.989 1.490 0.461
28 HA CYS 50 HA CYS 50 5.267 2.567 0.495
29 1HB CYS 50 2HB CYS 50 5.806 0.923 2.118
30 2HB CYS 50 3HB CYS 50 7.340 1.696 2.511
31 H ALA 51 H ALA 51 8.336 3.951 0.242
32 HA ALA 51 HA ALA 51 8.018 6.283 1.929
33 1HB ALA 51 3HB ALA 51 10.001 5.055 0.438
34 2HB ALA 51 1HB ALA 51 9.679 6.522 -0.487
35 3HB ALA 51 2HB ALA 51 10.149 6.634 1.209
36 H SER 52 H SER 52 7.388 5.602 -1.516
37 HA SER 52 HA SER 52 6.531 8.319 -2.127
38 1HB SER 52 2HB SER 52 6.233 5.638 -3.513
39 2HB SER 52 3HB SER 52 5.803 7.177 -4.251
40 HG SER 52 HG SER 52 8.053 7.786 -3.671
41 H SER 53 H SER 53 5.107 5.862 -0.340
42 HA SER 53 HA SER 53 2.920 5.678 0.549
43 1HB SER 53 2HB SER 53 3.264 8.259 0.262
44 2HB SER 53 3HB SER 53 2.184 8.078 -1.116
45 HG SER 53 HG SER 53 0.646 8.109 0.305
46 HA PRO 54 HA PRO 54 1.865 3.948 -3.687
47 1HB PRO 54 2HB PRO 54 1.773 1.330 -2.757
48 2HB PRO 54 3HB PRO 54 3.184 2.074 -3.535
49 1HG PRO 54 2HG PRO 54 2.641 1.594 -0.659
50 2HG PRO 54 3HG PRO 54 4.173 1.558 -1.545
51 1HD PRO 54 2HD PRO 54 3.431 3.614 0.072
52 2HD PRO 54 3HD PRO 54 4.501 3.814 -1.333
53 H CYS 55 H CYS 55 0.778 2.272 -0.710
54 HA CYS 55 HA CYS 55 -1.837 1.662 -1.347
55 1HB CYS 55 2HB CYS 55 -0.307 1.596 0.859
56 2HB CYS 55 3HB CYS 55 -1.319 2.977 1.287
57 H GLN 56 H GLN 56 -3.884 2.823 -1.032
58 HA GLN 56 HA GLN 56 -3.676 5.795 -0.984
59 1HB GLN 56 2HB GLN 56 -5.147 4.044 -2.976
60 2HB GLN 56 3HB GLN 56 -5.268 5.802 -2.914
61 1HG GLN 56 2HG GLN 56 -2.990 6.090 -3.511
62 2HG GLN 56 3HG GLN 56 -2.606 4.402 -3.168
63 1HE2 GLN 56 1HE2 GLN 56 -4.578 3.396 -6.195
64 2HE2 GLN 56 2HE2 GLN 56 -4.708 3.085 -4.523
65 H ASN 57 H ASN 57 -6.198 6.568 -1.116
66 HA ASN 57 HA ASN 57 -8.206 6.722 0.121
67 1HB ASN 57 2HB ASN 57 -7.794 3.718 -0.045
68 2HB ASN 57 3HB ASN 57 -9.310 4.493 0.418
69 1HD2 ASN 57 1HD2 ASN 57 -8.528 4.037 -3.471
70 2HD2 ASN 57 2HD2 ASN 57 -7.713 3.197 -2.230
71 H GLY 58 H GLY 58 -5.775 6.964 1.634
72 1HA GLY 58 2HA GLY 58 -5.234 7.142 3.919
73 2HA GLY 58 3HA GLY 58 -6.811 6.446 4.294
74 H GLY 59 H GLY 59 -4.776 4.694 2.095
75 1HA GLY 59 2HA GLY 59 -4.518 2.559 4.134
76 2HA GLY 59 3HA GLY 59 -4.219 2.373 2.401
77 H SER 60 H SER 60 -2.478 1.734 4.780
78 HA SER 60 HA SER 60 -0.232 3.644 4.497
79 1HB SER 60 2HB SER 60 -0.544 1.084 6.099
80 2HB SER 60 3HB SER 60 0.711 2.299 6.321
81 HG SER 60 HG SER 60 -2.071 2.828 6.511
82 H CYS 61 H CYS 61 2.021 2.445 4.297
83 HA CYS 61 HA CYS 61 1.789 0.364 2.146
84 1HB CYS 61 2HB CYS 61 3.990 1.506 1.357
85 2HB CYS 61 3HB CYS 61 2.469 2.343 1.057
86 H LYS 62 H LYS 62 3.068 -1.438 2.418
87 HA LYS 62 HA LYS 62 4.827 -1.501 4.839
88 1HB LYS 62 2HB LYS 62 2.794 -3.037 4.480
89 2HB LYS 62 3HB LYS 62 3.753 -3.824 3.225
90 1HG LYS 62 2HG LYS 62 4.906 -4.985 4.768
91 2HG LYS 62 3HG LYS 62 5.350 -3.498 5.606
92 1HD LYS 62 2HD LYS 62 2.953 -3.554 6.573
93 2HD LYS 62 3HD LYS 62 2.919 -5.233 6.034
94 1HE LYS 62 2HE LYS 62 4.835 -5.788 7.415
95 2HE LYS 62 3HE LYS 62 5.075 -4.081 7.839
96 1HZ LYS 62 3HZ LYS 62 2.554 -4.290 8.483
97 2HZ LYS 62 1HZ LYS 62 2.959 -5.924 8.688
98 3HZ LYS 62 2HZ LYS 62 3.773 -4.730 9.581
99 H ASP 63 H ASP 63 6.969 -2.322 4.629
100 HA ASP 63 HA ASP 63 7.981 -2.470 1.809
101 1HB ASP 63 2HB ASP 63 8.673 -0.894 4.060
102 2HB ASP 63 3HB ASP 63 10.004 -2.027 3.820
103 H GLN 64 H GLN 64 8.781 -4.442 1.202
104 HA GLN 64 HA GLN 64 9.962 -6.224 3.273
105 1HB GLN 64 2HB GLN 64 8.408 -7.818 1.455
106 2HB GLN 64 3HB GLN 64 8.224 -7.665 3.199
107 1HG GLN 64 2HG GLN 64 6.946 -5.473 2.673
108 2HG GLN 64 3HG GLN 64 6.853 -6.083 1.022
109 1HE2 GLN 64 1HE2 GLN 64 4.496 -8.635 1.808
110 2HE2 GLN 64 2HE2 GLN 64 5.604 -8.063 0.644
111 H LEU 65 H LEU 65 11.229 -8.003 2.256
112 HA LEU 65 HA LEU 65 13.072 -7.166 0.327
113 1HB LEU 65 2HB LEU 65 12.217 -9.629 1.650
114 2HB LEU 65 3HB LEU 65 12.924 -9.921 0.060
115 HG LEU 65 HG LEU 65 14.718 -8.149 0.967
116 1HD1 LEU 65 3HD1 LEU 65 13.124 -8.524 3.219
117 2HD1 LEU 65 1HD1 LEU 65 14.510 -9.575 3.511
118 3HD1 LEU 65 2HD1 LEU 65 14.757 -7.856 3.209
119 1HD2 LEU 65 3HD2 LEU 65 14.471 -11.108 1.137
120 2HD2 LEU 65 1HD2 LEU 65 15.694 -10.126 0.329
121 3HD2 LEU 65 2HD2 LEU 65 15.780 -10.383 2.072
122 H GLN 66 H GLN 66 11.122 -9.922 -0.522
123 HA GLN 66 HA GLN 66 11.164 -9.900 -3.233
124 1HB GLN 66 2HB GLN 66 8.969 -10.970 -3.141
125 2HB GLN 66 3HB GLN 66 9.908 -11.450 -1.725
126 1HG GLN 66 2HG GLN 66 7.950 -10.852 -0.666
127 2HG GLN 66 3HG GLN 66 8.740 -9.274 -0.694
128 1HE2 GLN 66 1HE2 GLN 66 5.946 -9.883 -3.658
129 2HE2 GLN 66 2HE2 GLN 66 7.030 -11.132 -3.276
130 H SER 67 H SER 67 9.357 -7.581 -1.269
131 HA SER 67 HA SER 67 9.268 -5.537 -3.210
132 1HB SER 67 2HB SER 67 7.569 -7.770 -3.792
133 2HB SER 67 3HB SER 67 6.543 -6.391 -3.413
134 HG SER 67 HG SER 67 7.020 -5.733 -5.344
135 H TYR 68 H TYR 68 6.544 -4.639 -2.760
136 HA TYR 68 HA TYR 68 6.542 -4.296 0.223
137 1HB TYR 68 2HB TYR 68 5.882 -1.943 -0.251
138 2HB TYR 68 3HB TYR 68 7.449 -2.337 -0.964
139 HD1 TYR 68 HD1 TYR 68 7.613 -2.860 -3.409
140 HD2 TYR 68 HD2 TYR 68 3.990 -1.406 -1.618
141 HE1 TYR 68 HE1 TYR 68 6.744 -2.261 -5.653
142 HE2 TYR 68 HE2 TYR 68 3.120 -0.809 -3.863
143 HH TYR 68 HH TYR 68 3.434 -1.223 -6.124
144 H ILE 69 H ILE 69 4.411 -4.011 1.152
145 HA ILE 69 HA ILE 69 2.133 -4.614 -0.697
146 HB ILE 69 HB ILE 69 3.101 -5.996 1.787
147 1HG1 ILE 69 2HG1 ILE 69 2.060 -6.785 -0.942
148 2HG1 ILE 69 3HG1 ILE 69 3.679 -7.037 -0.287
149 1HG2 ILE 69 3HG2 ILE 69 0.768 -5.299 2.286
150 2HG2 ILE 69 1HG2 ILE 69 0.236 -6.038 0.776
151 3HG2 ILE 69 2HG2 ILE 69 0.890 -7.046 2.068
152 1HD1 ILE 69 3HD1 ILE 69 2.434 -8.413 1.561
153 2HD1 ILE 69 1HD1 ILE 69 1.129 -8.481 0.377
154 3HD1 ILE 69 2HD1 ILE 69 2.712 -9.151 -0.017
155 H CYS 70 H CYS 70 0.635 -3.030 -0.497
156 HA CYS 70 HA CYS 70 0.665 -1.148 1.714
157 1HB CYS 70 2HB CYS 70 -0.053 0.015 -0.077
158 2HB CYS 70 3HB CYS 70 -0.293 -1.463 -0.961
159 H PHE 71 H PHE 71 -1.546 -0.633 2.730
160 HA PHE 71 HA PHE 71 -3.249 -3.022 3.218
161 1HB PHE 71 2HB PHE 71 -1.550 -1.505 5.210
162 2HB PHE 71 3HB PHE 71 -2.967 -2.427 5.728
163 HD1 PHE 71 HD1 PHE 71 -3.066 -4.885 5.368
164 HD2 PHE 71 HD2 PHE 71 0.461 -2.604 4.470
165 HE1 PHE 71 HE1 PHE 71 -1.734 -6.975 5.292
166 HE2 PHE 71 HE2 PHE 71 1.793 -4.695 4.393
167 HZ PHE 71 HZ PHE 71 0.695 -6.880 4.804
168 H CYS 72 H CYS 72 -5.137 -2.038 2.476
169 HA CYS 72 HA CYS 72 -5.744 0.769 3.086
170 1HB CYS 72 2HB CYS 72 -7.651 -1.280 1.973
171 2HB CYS 72 3HB CYS 72 -7.544 0.437 1.596
172 H LEU 73 H LEU 73 -8.594 0.350 3.420
173 HA LEU 73 HA LEU 73 -8.654 -0.688 6.237
174 1HB LEU 73 2HB LEU 73 -10.463 1.436 5.072
175 2HB LEU 73 3HB LEU 73 -10.056 1.152 6.764
176 HG LEU 73 HG LEU 73 -7.579 1.615 5.657
177 1HD1 LEU 73 3HD1 LEU 73 -8.723 2.251 3.511
178 2HD1 LEU 73 1HD1 LEU 73 -9.520 3.564 4.378
179 3HD1 LEU 73 2HD1 LEU 73 -7.765 3.557 4.209
180 1HD2 LEU 73 3HD2 LEU 73 -9.548 3.576 6.882
181 2HD2 LEU 73 1HD2 LEU 73 -8.375 2.583 7.748
182 3HD2 LEU 73 2HD2 LEU 73 -7.822 3.890 6.699
183 HA PRO 74 HA PRO 74 -12.174 -3.172 5.365
184 1HB PRO 74 2HB PRO 74 -14.142 -1.472 6.765
185 2HB PRO 74 3HB PRO 74 -13.608 -3.121 7.149
186 1HG PRO 74 2HG PRO 74 -12.914 -0.981 8.631
187 2HG PRO 74 3HG PRO 74 -11.876 -2.403 8.446
188 1HD PRO 74 2HD PRO 74 -11.639 0.284 7.196
189 2HD PRO 74 3HD PRO 74 -10.367 -0.851 7.702
190 H ALA 75 H ALA 75 -12.224 0.113 4.459
191 HA ALA 75 HA ALA 75 -14.729 -0.042 2.902
192 1HB ALA 75 1HB ALA 75 -12.561 2.032 3.329
193 2HB ALA 75 2HB ALA 75 -13.960 2.307 2.292
194 3HB ALA 75 3HB ALA 75 -14.185 2.024 4.018
195 H PHE 76 H PHE 76 -11.229 -0.140 2.351
196 HA PHE 76 HA PHE 76 -11.766 -0.582 -0.560
197 1HB PHE 76 2HB PHE 76 -9.226 0.389 0.777
198 2HB PHE 76 3HB PHE 76 -9.613 0.441 -0.946
199 HD1 PHE 76 HD1 PHE 76 -10.531 1.811 2.387
200 HD2 PHE 76 HD2 PHE 76 -10.946 2.191 -1.872
201 HE1 PHE 76 HE1 PHE 76 -11.601 4.029 2.688
202 HE2 PHE 76 HE2 PHE 76 -12.016 4.406 -1.571
203 HZ PHE 76 HZ PHE 76 -12.343 5.326 0.709
204 H GLU 77 H GLU 77 -9.776 -1.886 -1.529
205 HA GLU 77 HA GLU 77 -8.474 -3.817 0.210
206 1HB GLU 77 2HB GLU 77 -9.815 -5.751 -0.434
207 2HB GLU 77 3HB GLU 77 -10.887 -4.521 0.235
208 1HG GLU 77 2HG GLU 77 -11.443 -3.762 -2.049
209 2HG GLU 77 3HG GLU 77 -10.380 -5.002 -2.716
210 H GLY 78 H GLY 78 -6.688 -4.539 -0.905
211 1HA GLY 78 2HA GLY 78 -6.264 -5.613 -3.309
212 2HA GLY 78 3HA GLY 78 -6.538 -3.943 -3.804
213 H ARG 79 H ARG 79 -4.085 -5.099 -4.331
214 HA ARG 79 HA ARG 79 -2.051 -4.848 -2.380
215 1HB ARG 79 2HB ARG 79 -1.996 -5.809 -4.743
216 2HB ARG 79 3HB ARG 79 -1.831 -4.149 -5.319
217 1HG ARG 79 2HG ARG 79 0.222 -3.860 -4.049
218 2HG ARG 79 3HG ARG 79 0.030 -5.450 -3.309
219 1HD ARG 79 2HD ARG 79 0.813 -6.540 -5.164
220 2HD ARG 79 3HD ARG 79 -0.007 -5.427 -6.279
221 HE ARG 79 HE ARG 79 1.882 -3.795 -5.195
222 1HH1 ARG 79 1HH2 ARG 79 4.081 -4.978 -4.521
223 2HH1 ARG 79 2HH2 ARG 79 4.814 -5.737 -5.894
224 1HH2 ARG 79 1HH1 ARG 79 1.930 -5.647 -7.817
225 2HH2 ARG 79 2HH1 ARG 79 3.596 -6.116 -7.760
226 H ASN 80 H ASN 80 -3.972 -2.377 -3.805
227 HA ASN 80 HA ASN 80 -2.358 -0.301 -2.435
228 1HB ASN 80 2HB ASN 80 -2.964 -0.309 -5.417
229 2HB ASN 80 3HB ASN 80 -2.149 0.988 -4.540
230 1HD2 ASN 80 1HD2 ASN 80 0.967 -0.720 -4.367
231 2HD2 ASN 80 2HD2 ASN 80 0.055 0.604 -3.797
232 H CYS 81 H CYS 81 -5.159 -1.538 -2.384
233 HA CYS 81 HA CYS 81 -7.340 -0.716 -1.950
234 1HB CYS 81 2HB CYS 81 -6.132 2.033 -2.318
235 2HB CYS 81 3HB CYS 81 -7.481 1.569 -1.284
236 H GLU 82 H GLU 82 -5.821 -0.657 -4.792
237 HA GLU 82 HA GLU 82 -7.216 1.199 -6.443
238 1HB GLU 82 2HB GLU 82 -5.331 0.207 -7.388
239 2HB GLU 82 3HB GLU 82 -5.735 -1.393 -6.763
240 1HG GLU 82 2HG GLU 82 -7.653 -1.477 -8.379
241 2HG GLU 82 3HG GLU 82 -7.096 0.052 -9.058
242 H THR 83 H THR 83 -8.393 -1.546 -4.773
243 HA THR 83 HA THR 83 -10.720 -1.788 -6.645
244 HB THR 83 HB THR 83 -10.285 -3.751 -4.463
245 HG1 THR 83 HG1 THR 83 -8.164 -3.420 -5.037
246 1HG2 THR 83 3HG2 THR 83 -11.669 -3.590 -6.892
247 2HG2 THR 83 1HG2 THR 83 -10.352 -4.723 -7.198
248 3HG2 THR 83 2HG2 THR 83 -11.484 -5.023 -5.880
249 H HIS 84 H HIS 84 -11.525 0.264 -5.550
250 HA HIS 84 HA HIS 84 -12.156 0.459 -2.789
251 1HB HIS 84 2HB HIS 84 -12.284 2.373 -4.209
252 2HB HIS 84 3HB HIS 84 -13.371 1.557 -5.333
253 HD1 HIS 84 HD1 HIS 84 -15.751 0.765 -4.084
254 HD2 HIS 84 HD2 HIS 84 -13.657 3.965 -2.425
255 HE1 HIS 84 HE1 HIS 84 -17.398 2.018 -2.622
256 H LYS 85 H LYS 85 -13.645 -0.641 -1.566
257 HA LYS 85 HA LYS 85 -15.251 -2.771 -2.617
258 1HB LYS 85 2HB LYS 85 -15.485 -1.186 -0.035
259 2HB LYS 85 3HB LYS 85 -16.142 -2.802 -0.319
260 1HG LYS 85 2HG LYS 85 -13.844 -3.642 -0.741
261 2HG LYS 85 3HG LYS 85 -13.207 -2.035 -0.390
262 1HD LYS 85 2HD LYS 85 -13.310 -2.405 1.829
263 2HD LYS 85 3HD LYS 85 -14.997 -2.906 1.718
264 1HE LYS 85 2HE LYS 85 -12.730 -4.750 0.917
265 2HE LYS 85 3HE LYS 85 -13.375 -4.699 2.571
266 1HZ LYS 85 3HZ LYS 85 -15.632 -4.915 1.524
267 2HZ LYS 85 1HZ LYS 85 -14.850 -5.292 0.067
268 3HZ LYS 85 2HZ LYS 85 -14.654 -6.300 1.420
No H/Q in entry = 268
Start of MODEL 21
1 1H SER 45 1H SER 45 16.435 -2.822 0.534
2 2H SER 45 3H SER 45 16.796 -1.516 -0.486
3 3H SER 45 2H SER 45 17.673 -1.736 0.953
4 HA SER 45 HA SER 45 16.167 -0.010 1.441
5 1HB SER 45 2HB SER 45 14.124 0.125 0.383
6 2HB SER 45 3HB SER 45 14.897 -0.997 -0.732
7 HG SER 45 HG SER 45 12.941 -1.427 1.200
8 H ASP 46 H ASP 46 14.440 -0.027 3.207
9 HA ASP 46 HA ASP 46 14.171 -2.652 4.596
10 1HB ASP 46 2HB ASP 46 16.267 -1.276 5.244
11 2HB ASP 46 3HB ASP 46 15.135 -0.164 6.016
12 H GLY 47 H GLY 47 12.572 -0.175 3.329
13 1HA GLY 47 2HA GLY 47 10.083 -0.422 4.233
14 2HA GLY 47 3HA GLY 47 10.791 0.376 5.639
15 H ASP 48 H ASP 48 11.558 0.967 2.220
16 HA ASP 48 HA ASP 48 10.494 3.754 2.573
17 1HB ASP 48 2HB ASP 48 12.906 2.782 1.013
18 2HB ASP 48 3HB ASP 48 12.409 4.462 1.214
19 H GLN 49 H GLN 49 10.039 0.893 0.958
20 HA GLN 49 HA GLN 49 9.780 1.212 -1.747
21 1HB GLN 49 2HB GLN 49 7.516 0.320 0.031
22 2HB GLN 49 3HB GLN 49 7.871 -0.254 -1.591
23 1HG GLN 49 2HG GLN 49 8.997 -1.934 -0.567
24 2HG GLN 49 3HG GLN 49 10.241 -0.725 -0.244
25 1HE2 GLN 49 1HE2 GLN 49 7.530 -1.146 2.819
26 2HE2 GLN 49 2HE2 GLN 49 6.966 -0.970 1.221
27 H CYS 50 H CYS 50 7.386 2.367 0.597
28 HA CYS 50 HA CYS 50 5.954 3.930 -1.435
29 1HB CYS 50 2HB CYS 50 4.536 4.493 0.556
30 2HB CYS 50 3HB CYS 50 4.762 2.758 0.344
31 H ALA 51 H ALA 51 8.145 5.167 -1.805
32 HA ALA 51 HA ALA 51 8.870 7.165 0.207
33 1HB ALA 51 1HB ALA 51 9.580 6.666 -2.700
34 2HB ALA 51 2HB ALA 51 10.312 7.949 -1.735
35 3HB ALA 51 3HB ALA 51 10.546 6.260 -1.282
36 H SER 52 H SER 52 6.536 6.911 -2.322
37 HA SER 52 HA SER 52 5.949 9.842 -2.073
38 1HB SER 52 2HB SER 52 6.598 8.167 -4.366
39 2HB SER 52 3HB SER 52 5.035 8.954 -4.572
40 HG SER 52 HG SER 52 6.399 10.854 -3.667
41 H SER 53 H SER 53 4.863 7.130 -0.923
42 HA SER 53 HA SER 53 2.720 6.453 -0.174
43 1HB SER 53 2HB SER 53 2.583 9.114 -0.387
44 2HB SER 53 3HB SER 53 1.473 8.709 -1.695
45 HG SER 53 HG SER 53 1.210 8.415 1.036
46 HA PRO 54 HA PRO 54 1.962 4.783 -4.399
47 1HB PRO 54 2HB PRO 54 2.540 2.178 -3.800
48 2HB PRO 54 3HB PRO 54 3.779 3.347 -4.301
49 1HG PRO 54 2HG PRO 54 3.190 2.254 -1.625
50 2HG PRO 54 3HG PRO 54 4.715 2.838 -2.300
51 1HD PRO 54 2HD PRO 54 3.044 4.225 -0.529
52 2HD PRO 54 3HD PRO 54 4.388 4.914 -1.462
53 H CYS 55 H CYS 55 0.908 4.105 -1.185
54 HA CYS 55 HA CYS 55 -1.331 2.359 -2.010
55 1HB CYS 55 2HB CYS 55 -0.972 3.594 0.714
56 2HB CYS 55 3HB CYS 55 -1.570 1.989 0.297
57 H GLN 56 H GLN 56 -3.589 3.018 -1.467
58 HA GLN 56 HA GLN 56 -3.982 5.977 -1.347
59 1HB GLN 56 2HB GLN 56 -5.301 3.990 -3.227
60 2HB GLN 56 3HB GLN 56 -5.703 5.704 -3.120
61 1HG GLN 56 2HG GLN 56 -3.666 6.382 -4.032
62 2HG GLN 56 3HG GLN 56 -2.856 4.875 -3.602
63 1HE2 GLN 56 1HE2 GLN 56 -5.540 4.125 -6.564
64 2HE2 GLN 56 2HE2 GLN 56 -6.050 4.669 -5.030
65 H ASN 57 H ASN 57 -6.580 6.253 -1.202
66 HA ASN 57 HA ASN 57 -8.435 6.015 0.243
67 1HB ASN 57 2HB ASN 57 -7.731 3.079 0.203
68 2HB ASN 57 3HB ASN 57 -9.330 3.821 0.195
69 1HD2 ASN 57 1HD2 ASN 57 -9.180 4.609 -3.338
70 2HD2 ASN 57 2HD2 ASN 57 -9.809 5.190 -1.862
71 H GLY 58 H GLY 58 -5.915 6.564 1.530
72 1HA GLY 58 2HA GLY 58 -5.027 6.611 3.700
73 2HA GLY 58 3HA GLY 58 -6.572 5.959 4.243
74 H GLY 59 H GLY 59 -4.497 4.317 1.905
75 1HA GLY 59 2HA GLY 59 -4.313 2.046 3.810
76 2HA GLY 59 3HA GLY 59 -3.963 1.966 2.078
77 H SER 60 H SER 60 -2.334 1.325 4.622
78 HA SER 60 HA SER 60 -0.082 3.214 4.476
79 1HB SER 60 2HB SER 60 -1.133 1.701 6.428
80 2HB SER 60 3HB SER 60 0.066 0.556 5.834
81 HG SER 60 HG SER 60 1.413 2.690 5.933
82 H CYS 61 H CYS 61 2.188 1.929 4.403
83 HA CYS 61 HA CYS 61 2.118 0.143 1.990
84 1HB CYS 61 2HB CYS 61 4.212 1.260 1.333
85 2HB CYS 61 3HB CYS 61 2.946 2.461 1.586
86 H LYS 62 H LYS 62 2.862 -1.876 2.493
87 HA LYS 62 HA LYS 62 4.488 -2.279 4.950
88 1HB LYS 62 2HB LYS 62 2.436 -3.620 4.409
89 2HB LYS 62 3HB LYS 62 3.286 -4.264 3.003
90 1HG LYS 62 2HG LYS 62 4.513 -5.690 4.250
91 2HG LYS 62 3HG LYS 62 4.854 -4.459 5.468
92 1HD LYS 62 2HD LYS 62 2.374 -4.783 6.171
93 2HD LYS 62 3HD LYS 62 2.473 -6.293 5.266
94 1HE LYS 62 2HE LYS 62 4.539 -5.580 7.360
95 2HE LYS 62 3HE LYS 62 3.043 -6.439 7.775
96 1HZ LYS 62 1HZ LYS 62 4.465 -7.375 5.416
97 2HZ LYS 62 2HZ LYS 62 5.215 -7.691 6.904
98 3HZ LYS 62 3HZ LYS 62 3.643 -8.261 6.609
99 H ASP 63 H ASP 63 6.560 -3.202 4.910
100 HA ASP 63 HA ASP 63 7.933 -3.195 2.256
101 1HB ASP 63 2HB ASP 63 9.937 -2.823 3.590
102 2HB ASP 63 3HB ASP 63 8.687 -1.713 4.150
103 H GLN 64 H GLN 64 8.029 -5.231 1.388
104 HA GLN 64 HA GLN 64 8.429 -7.546 3.251
105 1HB GLN 64 2HB GLN 64 7.860 -8.345 0.548
106 2HB GLN 64 3HB GLN 64 6.862 -8.565 1.982
107 1HG GLN 64 2HG GLN 64 5.955 -6.264 1.667
108 2HG GLN 64 3HG GLN 64 6.905 -6.124 0.186
109 1HE2 GLN 64 1HE2 GLN 64 3.744 -8.771 0.205
110 2HE2 GLN 64 2HE2 GLN 64 4.546 -8.427 1.671
111 H LEU 65 H LEU 65 9.470 -9.368 1.382
112 HA LEU 65 HA LEU 65 12.221 -8.293 1.082
113 1HB LEU 65 2HB LEU 65 11.576 -10.450 2.287
114 2HB LEU 65 3HB LEU 65 11.202 -11.113 0.696
115 HG LEU 65 HG LEU 65 13.851 -9.781 1.047
116 1HD1 LEU 65 3HD1 LEU 65 13.521 -11.247 3.073
117 2HD1 LEU 65 1HD1 LEU 65 13.316 -12.615 1.978
118 3HD1 LEU 65 2HD1 LEU 65 14.852 -11.751 2.031
119 1HD2 LEU 65 3HD2 LEU 65 12.550 -11.855 -0.645
120 2HD2 LEU 65 1HD2 LEU 65 13.715 -10.608 -1.091
121 3HD2 LEU 65 2HD2 LEU 65 14.265 -12.087 -0.303
122 H GLN 66 H GLN 66 9.478 -9.028 -0.822
123 HA GLN 66 HA GLN 66 11.133 -9.193 -3.313
124 1HB GLN 66 2HB GLN 66 9.219 -10.308 -4.258
125 2HB GLN 66 3HB GLN 66 9.456 -10.997 -2.652
126 1HG GLN 66 2HG GLN 66 7.832 -8.926 -2.023
127 2HG GLN 66 3HG GLN 66 7.268 -9.263 -3.661
128 1HE2 GLN 66 1HE2 GLN 66 6.522 -12.780 -2.648
129 2HE2 GLN 66 2HE2 GLN 66 7.528 -12.050 -3.804
130 H SER 67 H SER 67 8.823 -7.263 -1.570
131 HA SER 67 HA SER 67 9.191 -4.955 -3.244
132 1HB SER 67 2HB SER 67 7.021 -4.989 -4.389
133 2HB SER 67 3HB SER 67 7.903 -6.465 -4.767
134 HG SER 67 HG SER 67 6.683 -7.525 -3.179
135 H TYR 68 H TYR 68 5.979 -4.771 -2.617
136 HA TYR 68 HA TYR 68 6.053 -4.475 0.298
137 1HB TYR 68 2HB TYR 68 5.581 -1.999 0.119
138 2HB TYR 68 3HB TYR 68 7.216 -2.471 -0.359
139 HD1 TYR 68 HD1 TYR 68 7.890 -2.465 -2.719
140 HD2 TYR 68 HD2 TYR 68 3.939 -1.270 -1.527
141 HE1 TYR 68 HE1 TYR 68 7.518 -1.465 -4.957
142 HE2 TYR 68 HE2 TYR 68 3.570 -0.265 -3.766
143 HH TYR 68 HH TYR 68 4.521 0.297 -5.707
144 H ILE 69 H ILE 69 3.951 -4.371 1.147
145 HA ILE 69 HA ILE 69 1.718 -4.336 -0.863
146 HB ILE 69 HB ILE 69 2.437 -6.199 1.378
147 1HG1 ILE 69 2HG1 ILE 69 1.406 -6.416 -1.457
148 2HG1 ILE 69 3HG1 ILE 69 2.972 -6.937 -0.834
149 1HG2 ILE 69 3HG2 ILE 69 0.153 -5.304 1.909
150 2HG2 ILE 69 1HG2 ILE 69 -0.384 -5.837 0.315
151 3HG2 ILE 69 2HG2 ILE 69 0.144 -7.022 1.509
152 1HD1 ILE 69 3HD1 ILE 69 1.305 -8.351 0.785
153 2HD1 ILE 69 1HD1 ILE 69 0.340 -8.285 -0.690
154 3HD1 ILE 69 2HD1 ILE 69 1.960 -8.981 -0.727
155 H CYS 70 H CYS 70 0.365 -2.645 -0.442
156 HA CYS 70 HA CYS 70 0.543 -1.168 2.057
157 1HB CYS 70 2HB CYS 70 -1.324 -1.013 -0.317
158 2HB CYS 70 3HB CYS 70 -1.194 0.207 0.948
159 H PHE 71 H PHE 71 -1.019 -1.037 3.688
160 HA PHE 71 HA PHE 71 -3.020 -3.258 3.737
161 1HB PHE 71 2HB PHE 71 -1.512 -1.628 5.778
162 2HB PHE 71 3HB PHE 71 -2.962 -2.521 6.247
163 HD1 PHE 71 HD1 PHE 71 -0.051 -3.206 3.971
164 HD2 PHE 71 HD2 PHE 71 -2.458 -4.551 7.264
165 HE1 PHE 71 HE1 PHE 71 1.272 -5.302 4.082
166 HE2 PHE 71 HE2 PHE 71 -1.135 -6.647 7.375
167 HZ PHE 71 HZ PHE 71 0.729 -7.022 5.784
168 H CYS 72 H CYS 72 -4.719 -2.216 2.575
169 HA CYS 72 HA CYS 72 -5.602 0.482 3.113
170 1HB CYS 72 2HB CYS 72 -7.188 -1.823 1.952
171 2HB CYS 72 3HB CYS 72 -7.368 -0.103 1.594
172 H LEU 73 H LEU 73 -8.267 0.428 3.557
173 HA LEU 73 HA LEU 73 -8.481 -0.728 6.309
174 1HB LEU 73 2HB LEU 73 -10.200 1.408 5.029
175 2HB LEU 73 3HB LEU 73 -9.933 1.115 6.745
176 HG LEU 73 HG LEU 73 -7.378 1.540 5.551
177 1HD1 LEU 73 3HD1 LEU 73 -8.601 2.657 3.711
178 2HD1 LEU 73 1HD1 LEU 73 -9.415 3.691 4.886
179 3HD1 LEU 73 2HD1 LEU 73 -7.672 3.820 4.658
180 1HD2 LEU 73 1HD2 LEU 73 -8.027 2.025 7.890
181 2HD2 LEU 73 2HD2 LEU 73 -7.349 3.456 7.113
182 3HD2 LEU 73 3HD2 LEU 73 -9.093 3.313 7.325
183 HA PRO 74 HA PRO 74 -11.958 -3.244 5.402
184 1HB PRO 74 2HB PRO 74 -13.935 -1.545 6.800
185 2HB PRO 74 3HB PRO 74 -13.409 -3.199 7.174
186 1HG PRO 74 2HG PRO 74 -12.709 -1.084 8.680
187 2HG PRO 74 3HG PRO 74 -11.666 -2.498 8.468
188 1HD PRO 74 2HD PRO 74 -11.452 0.205 7.247
189 2HD PRO 74 3HD PRO 74 -10.168 -0.920 7.745
190 H ALA 75 H ALA 75 -12.048 0.048 4.509
191 HA ALA 75 HA ALA 75 -14.552 -0.077 2.976
192 1HB ALA 75 1HB ALA 75 -12.304 1.889 3.403
193 2HB ALA 75 2HB ALA 75 -13.547 2.191 2.190
194 3HB ALA 75 3HB ALA 75 -13.993 2.032 3.889
195 H PHE 76 H PHE 76 -11.071 -0.293 2.339
196 HA PHE 76 HA PHE 76 -11.692 -0.931 -0.518
197 1HB PHE 76 2HB PHE 76 -9.070 0.052 0.633
198 2HB PHE 76 3HB PHE 76 -9.591 0.084 -1.055
199 HD1 PHE 76 HD1 PHE 76 -10.367 1.463 2.328
200 HD2 PHE 76 HD2 PHE 76 -10.789 1.932 -1.921
201 HE1 PHE 76 HE1 PHE 76 -11.352 3.713 2.673
202 HE2 PHE 76 HE2 PHE 76 -11.774 4.181 -1.576
203 HZ PHE 76 HZ PHE 76 -12.055 5.072 0.722
204 H GLU 77 H GLU 77 -9.728 -2.343 -1.428
205 HA GLU 77 HA GLU 77 -8.429 -4.153 0.440
206 1HB GLU 77 2HB GLU 77 -11.154 -4.587 -0.162
207 2HB GLU 77 3HB GLU 77 -10.262 -5.797 -1.084
208 1HG GLU 77 2HG GLU 77 -8.940 -6.141 1.154
209 2HG GLU 77 3HG GLU 77 -10.350 -5.378 1.890
210 H GLY 78 H GLY 78 -6.685 -3.477 -1.041
211 1HA GLY 78 2HA GLY 78 -6.294 -5.360 -3.209
212 2HA GLY 78 3HA GLY 78 -6.598 -3.731 -3.814
213 H ARG 79 H ARG 79 -4.149 -4.819 -4.362
214 HA ARG 79 HA ARG 79 -2.030 -4.560 -2.556
215 1HB ARG 79 2HB ARG 79 -2.422 -4.905 -5.287
216 2HB ARG 79 3HB ARG 79 -1.493 -3.409 -5.197
217 1HG ARG 79 2HG ARG 79 0.272 -4.871 -5.121
218 2HG ARG 79 3HG ARG 79 -0.121 -4.882 -3.402
219 1HD ARG 79 2HD ARG 79 -0.794 -7.052 -3.479
220 2HD ARG 79 3HD ARG 79 -1.748 -6.777 -4.952
221 HE ARG 79 HE ARG 79 1.221 -7.179 -4.967
222 1HH1 ARG 79 1HH2 ARG 79 1.110 -6.389 -7.488
223 2HH1 ARG 79 2HH2 ARG 79 0.318 -7.602 -8.437
224 1HH2 ARG 79 1HH1 ARG 79 -1.115 -9.182 -5.702
225 2HH2 ARG 79 2HH1 ARG 79 -0.942 -9.184 -7.425
226 H ASN 80 H ASN 80 -3.519 -1.979 -4.535
227 HA ASN 80 HA ASN 80 -2.137 0.034 -2.786
228 1HB ASN 80 2HB ASN 80 -3.120 0.226 -5.655
229 2HB ASN 80 3HB ASN 80 -2.241 1.483 -4.782
230 1HD2 ASN 80 1HD2 ASN 80 0.776 -0.701 -4.667
231 2HD2 ASN 80 2HD2 ASN 80 -0.208 0.085 -3.516
232 H CYS 81 H CYS 81 -4.775 -1.301 -2.310
233 HA CYS 81 HA CYS 81 -6.932 -0.651 -1.592
234 1HB CYS 81 2HB CYS 81 -5.724 2.121 -1.848
235 2HB CYS 81 3HB CYS 81 -7.065 1.644 -0.807
236 H GLU 82 H GLU 82 -5.912 -0.400 -4.601
237 HA GLU 82 HA GLU 82 -7.668 1.556 -5.818
238 1HB GLU 82 2HB GLU 82 -5.759 0.913 -7.042
239 2HB GLU 82 3HB GLU 82 -6.008 -0.803 -6.700
240 1HG GLU 82 2HG GLU 82 -8.078 -0.730 -8.106
241 2HG GLU 82 3HG GLU 82 -7.690 0.938 -8.529
242 H THR 83 H THR 83 -8.179 -1.591 -4.513
243 HA THR 83 HA THR 83 -10.525 -2.197 -6.199
244 HB THR 83 HB THR 83 -9.154 -3.495 -3.829
245 HG1 THR 83 HG1 THR 83 -8.555 -4.976 -5.411
246 1HG2 THR 83 1HG2 THR 83 -11.842 -3.866 -4.775
247 2HG2 THR 83 2HG2 THR 83 -10.900 -5.313 -5.133
248 3HG2 THR 83 3HG2 THR 83 -11.006 -4.718 -3.477
249 H HIS 84 H HIS 84 -11.241 0.140 -5.199
250 HA HIS 84 HA HIS 84 -12.208 0.438 -2.582
251 1HB HIS 84 2HB HIS 84 -12.217 2.258 -4.139
252 2HB HIS 84 3HB HIS 84 -13.218 1.362 -5.281
253 HD1 HIS 84 HD1 HIS 84 -15.078 3.202 -5.197
254 HD2 HIS 84 HD2 HIS 84 -14.315 1.386 -1.523
255 HE1 HIS 84 HE1 HIS 84 -16.983 3.858 -3.664
256 H LYS 85 H LYS 85 -13.542 -0.948 -1.483
257 HA LYS 85 HA LYS 85 -15.141 -2.996 -2.624
258 1HB LYS 85 2HB LYS 85 -15.348 -1.466 -0.010
259 2HB LYS 85 3HB LYS 85 -16.181 -2.990 -0.339
260 1HG LYS 85 2HG LYS 85 -14.041 -4.121 -0.690
261 2HG LYS 85 3HG LYS 85 -13.175 -2.602 -0.462
262 1HD LYS 85 2HD LYS 85 -13.705 -2.500 1.832
263 2HD LYS 85 3HD LYS 85 -15.031 -3.653 1.668
264 1HE LYS 85 2HE LYS 85 -13.066 -5.269 0.860
265 2HE LYS 85 3HE LYS 85 -12.088 -4.172 1.856
266 1HZ LYS 85 1HZ LYS 85 -14.633 -5.419 2.748
267 2HZ LYS 85 2HZ LYS 85 -13.096 -6.018 3.141
268 3HZ LYS 85 3HZ LYS 85 -13.573 -4.482 3.688
No H/Q in entry = 268
Start of MODEL 22
1 1H SER 45 1H SER 45 9.631 2.456 -7.883
2 2H SER 45 3H SER 45 8.551 3.570 -7.195
3 3H SER 45 2H SER 45 9.186 3.852 -8.746
4 HA SER 45 HA SER 45 10.497 5.246 -7.470
5 1HB SER 45 2HB SER 45 9.325 4.221 -5.427
6 2HB SER 45 3HB SER 45 10.638 3.046 -5.394
7 HG SER 45 HG SER 45 11.222 5.788 -5.567
8 H ASP 46 H ASP 46 12.866 4.488 -6.195
9 HA ASP 46 HA ASP 46 14.115 2.459 -8.002
10 1HB ASP 46 2HB ASP 46 14.249 4.975 -8.706
11 2HB ASP 46 3HB ASP 46 15.423 5.106 -7.397
12 H GLY 47 H GLY 47 14.342 1.053 -6.161
13 1HA GLY 47 2HA GLY 47 15.854 0.168 -4.540
14 2HA GLY 47 3HA GLY 47 16.609 1.758 -4.414
15 H ASP 48 H ASP 48 13.233 0.652 -3.983
16 HA ASP 48 HA ASP 48 13.001 0.718 -1.216
17 1HB ASP 48 2HB ASP 48 13.438 3.354 -2.430
18 2HB ASP 48 3HB ASP 48 11.991 3.281 -1.423
19 H GLN 49 H GLN 49 11.037 -0.157 -0.984
20 HA GLN 49 HA GLN 49 9.037 -0.155 -3.080
21 1HB GLN 49 2HB GLN 49 8.572 -0.926 -0.213
22 2HB GLN 49 3HB GLN 49 7.916 -1.667 -1.668
23 1HG GLN 49 2HG GLN 49 9.582 -3.177 -1.568
24 2HG GLN 49 3HG GLN 49 10.711 -1.871 -1.930
25 1HE2 GLN 49 1HE2 GLN 49 10.923 -1.367 1.852
26 2HE2 GLN 49 2HE2 GLN 49 10.160 -0.443 0.639
27 H CYS 50 H CYS 50 8.688 0.912 0.319
28 HA CYS 50 HA CYS 50 6.467 2.687 -0.404
29 1HB CYS 50 2HB CYS 50 6.968 1.238 1.743
30 2HB CYS 50 3HB CYS 50 7.897 2.652 2.241
31 H ALA 51 H ALA 51 7.261 4.423 -1.648
32 HA ALA 51 HA ALA 51 9.646 5.913 -0.700
33 1HB ALA 51 1HB ALA 51 8.268 5.373 -3.174
34 2HB ALA 51 2HB ALA 51 8.402 7.117 -2.953
35 3HB ALA 51 3HB ALA 51 9.851 6.112 -2.940
36 H SER 52 H SER 52 6.514 7.057 -1.995
37 HA SER 52 HA SER 52 6.402 9.010 0.285
38 1HB SER 52 2HB SER 52 6.338 9.277 -2.638
39 2HB SER 52 3HB SER 52 5.009 10.116 -1.842
40 HG SER 52 HG SER 52 6.410 11.382 -0.806
41 H SER 53 H SER 53 5.131 6.696 0.815
42 HA SER 53 HA SER 53 3.003 5.873 1.446
43 1HB SER 53 2HB SER 53 2.891 8.676 1.343
44 2HB SER 53 3HB SER 53 1.468 8.140 0.454
45 HG SER 53 HG SER 53 1.087 6.719 2.300
46 HA PRO 54 HA PRO 54 2.256 4.948 -3.030
47 1HB PRO 54 2HB PRO 54 2.633 2.242 -2.801
48 2HB PRO 54 3HB PRO 54 3.953 3.384 -3.130
49 1HG PRO 54 2HG PRO 54 3.203 2.036 -0.595
50 2HG PRO 54 3HG PRO 54 4.801 2.472 -1.216
51 1HD PRO 54 2HD PRO 54 3.447 3.872 0.729
52 2HD PRO 54 3HD PRO 54 4.718 4.558 -0.307
53 H CYS 55 H CYS 55 0.812 4.409 -0.076
54 HA CYS 55 HA CYS 55 -1.312 2.582 -1.027
55 1HB CYS 55 2HB CYS 55 -1.205 4.085 1.591
56 2HB CYS 55 3HB CYS 55 -1.928 2.510 1.262
57 H GLN 56 H GLN 56 -3.604 3.271 -0.863
58 HA GLN 56 HA GLN 56 -3.975 6.221 -1.186
59 1HB GLN 56 2HB GLN 56 -5.128 3.913 -2.778
60 2HB GLN 56 3HB GLN 56 -5.633 5.593 -2.967
61 1HG GLN 56 2HG GLN 56 -3.606 6.243 -3.899
62 2HG GLN 56 3HG GLN 56 -2.715 4.933 -3.121
63 1HE2 GLN 56 1HE2 GLN 56 -2.793 3.439 -6.356
64 2HE2 GLN 56 2HE2 GLN 56 -1.823 4.269 -5.223
65 H ASN 57 H ASN 57 -6.598 6.518 -1.224
66 HA ASN 57 HA ASN 57 -8.441 6.620 0.268
67 1HB ASN 57 2HB ASN 57 -7.815 3.669 -0.041
68 2HB ASN 57 3HB ASN 57 -9.315 4.276 0.662
69 1HD2 ASN 57 1HD2 ASN 57 -8.973 4.125 -3.335
70 2HD2 ASN 57 2HD2 ASN 57 -7.864 3.376 -2.277
71 H GLY 58 H GLY 58 -5.937 7.034 1.607
72 1HA GLY 58 2HA GLY 58 -5.010 7.002 3.763
73 2HA GLY 58 3HA GLY 58 -6.660 6.719 4.317
74 H GLY 59 H GLY 59 -4.293 4.763 2.467
75 1HA GLY 59 2HA GLY 59 -4.957 2.490 4.286
76 2HA GLY 59 3HA GLY 59 -4.305 2.313 2.653
77 H SER 60 H SER 60 -3.179 1.199 5.112
78 HA SER 60 HA SER 60 -0.836 2.803 5.826
79 1HB SER 60 2HB SER 60 -1.599 -0.091 6.334
80 2HB SER 60 3HB SER 60 -0.309 0.779 7.159
81 HG SER 60 HG SER 60 -2.868 0.702 7.777
82 H CYS 61 H CYS 61 1.403 1.902 5.502
83 HA CYS 61 HA CYS 61 1.637 0.543 2.834
84 1HB CYS 61 2HB CYS 61 2.360 2.939 3.022
85 2HB CYS 61 3HB CYS 61 3.534 2.451 4.242
86 H LYS 62 H LYS 62 2.308 -1.561 3.122
87 HA LYS 62 HA LYS 62 3.939 -2.254 5.516
88 1HB LYS 62 2HB LYS 62 1.834 -3.487 4.698
89 2HB LYS 62 3HB LYS 62 2.842 -4.092 3.381
90 1HG LYS 62 2HG LYS 62 3.703 -5.665 4.731
91 2HG LYS 62 3HG LYS 62 4.275 -4.417 5.840
92 1HD LYS 62 2HD LYS 62 1.921 -4.335 6.787
93 2HD LYS 62 3HD LYS 62 1.575 -5.784 5.841
94 1HE LYS 62 2HE LYS 62 2.660 -7.110 7.332
95 2HE LYS 62 3HE LYS 62 4.067 -6.028 7.364
96 1HZ LYS 62 3HZ LYS 62 2.553 -4.462 8.651
97 2HZ LYS 62 1HZ LYS 62 1.543 -5.806 8.893
98 3HZ LYS 62 2HZ LYS 62 3.136 -5.819 9.484
99 H ASP 63 H ASP 63 6.061 -2.968 5.340
100 HA ASP 63 HA ASP 63 7.271 -2.919 2.594
101 1HB ASP 63 2HB ASP 63 8.638 -2.465 5.259
102 2HB ASP 63 3HB ASP 63 9.233 -2.034 3.655
103 H GLN 64 H GLN 64 7.641 -5.009 1.943
104 HA GLN 64 HA GLN 64 8.491 -6.999 4.019
105 1HB GLN 64 2HB GLN 64 7.778 -8.227 1.526
106 2HB GLN 64 3HB GLN 64 6.948 -8.348 3.073
107 1HG GLN 64 2HG GLN 64 5.699 -6.271 2.559
108 2HG GLN 64 3HG GLN 64 6.524 -6.169 1.002
109 1HE2 GLN 64 1HE2 GLN 64 3.711 -9.129 1.545
110 2HE2 GLN 64 2HE2 GLN 64 4.492 -8.463 2.909
111 H LEU 65 H LEU 65 10.210 -5.038 2.512
112 HA LEU 65 HA LEU 65 12.397 -5.082 1.637
113 1HB LEU 65 2HB LEU 65 11.878 -7.660 2.838
114 2HB LEU 65 3HB LEU 65 12.920 -7.844 1.428
115 HG LEU 65 HG LEU 65 14.211 -5.804 2.435
116 1HD1 LEU 65 3HD1 LEU 65 12.471 -5.383 4.185
117 2HD1 LEU 65 1HD1 LEU 65 12.876 -6.938 4.912
118 3HD1 LEU 65 2HD1 LEU 65 14.077 -5.646 4.864
119 1HD2 LEU 65 3HD2 LEU 65 14.293 -8.692 3.008
120 2HD2 LEU 65 1HD2 LEU 65 15.591 -7.609 2.507
121 3HD2 LEU 65 2HD2 LEU 65 15.129 -7.706 4.207
122 H GLN 66 H GLN 66 11.471 -8.175 0.328
123 HA GLN 66 HA GLN 66 12.258 -7.707 -2.327
124 1HB GLN 66 2HB GLN 66 10.648 -9.606 -2.808
125 2HB GLN 66 3HB GLN 66 11.766 -9.916 -1.480
126 1HG GLN 66 2HG GLN 66 9.832 -10.516 -0.404
127 2HG GLN 66 3HG GLN 66 9.752 -8.784 -0.090
128 1HE2 GLN 66 1HE2 GLN 66 7.500 -10.029 -3.300
129 2HE2 GLN 66 2HE2 GLN 66 9.093 -10.592 -3.136
130 H SER 67 H SER 67 9.032 -7.254 -0.878
131 HA SER 67 HA SER 67 8.398 -5.297 -3.035
132 1HB SER 67 2HB SER 67 7.631 -7.818 -3.367
133 2HB SER 67 3HB SER 67 6.365 -7.356 -2.233
134 HG SER 67 HG SER 67 6.830 -6.547 -4.847
135 H TYR 68 H TYR 68 5.638 -5.071 -2.202
136 HA TYR 68 HA TYR 68 5.616 -4.568 0.694
137 1HB TYR 68 2HB TYR 68 5.464 -2.147 0.479
138 2HB TYR 68 3HB TYR 68 6.925 -2.693 -0.350
139 HD1 TYR 68 HD1 TYR 68 6.902 -2.954 -2.857
140 HD2 TYR 68 HD2 TYR 68 3.678 -1.098 -0.708
141 HE1 TYR 68 HE1 TYR 68 6.079 -1.940 -4.965
142 HE2 TYR 68 HE2 TYR 68 2.857 -0.082 -2.816
143 HH TYR 68 HH TYR 68 3.926 -1.070 -5.869
144 H ILE 69 H ILE 69 3.470 -4.003 1.435
145 HA ILE 69 HA ILE 69 1.317 -3.991 -0.631
146 HB ILE 69 HB ILE 69 1.900 -6.023 1.499
147 1HG1 ILE 69 2HG1 ILE 69 0.415 -6.888 -0.821
148 2HG1 ILE 69 3HG1 ILE 69 1.799 -5.916 -1.320
149 1HG2 ILE 69 1HG2 ILE 69 -0.814 -5.010 0.709
150 2HG2 ILE 69 2HG2 ILE 69 -0.603 -6.730 1.033
151 3HG2 ILE 69 3HG2 ILE 69 -0.241 -5.546 2.289
152 1HD1 ILE 69 3HD1 ILE 69 2.766 -7.562 0.742
153 2HD1 ILE 69 1HD1 ILE 69 1.756 -8.612 -0.250
154 3HD1 ILE 69 2HD1 ILE 69 3.094 -7.729 -0.983
155 H CYS 70 H CYS 70 -0.054 -2.345 -0.140
156 HA CYS 70 HA CYS 70 0.088 -1.027 2.477
157 1HB CYS 70 2HB CYS 70 -1.422 -0.593 -0.099
158 2HB CYS 70 3HB CYS 70 -1.639 0.444 1.310
159 H PHE 71 H PHE 71 -1.345 -1.349 4.143
160 HA PHE 71 HA PHE 71 -3.518 -3.325 3.779
161 1HB PHE 71 2HB PHE 71 -2.066 -1.974 6.037
162 2HB PHE 71 3HB PHE 71 -3.634 -2.728 6.355
163 HD1 PHE 71 HD1 PHE 71 -0.870 -3.709 4.024
164 HD2 PHE 71 HD2 PHE 71 -3.212 -4.749 7.472
165 HE1 PHE 71 HE1 PHE 71 0.210 -5.940 4.085
166 HE2 PHE 71 HE2 PHE 71 -2.131 -6.981 7.533
167 HZ PHE 71 HZ PHE 71 -0.420 -7.576 5.840
168 H CYS 72 H CYS 72 -4.923 -1.940 2.454
169 HA CYS 72 HA CYS 72 -5.854 0.647 3.241
170 1HB CYS 72 2HB CYS 72 -7.320 -1.513 1.695
171 2HB CYS 72 3HB CYS 72 -7.544 0.233 1.552
172 H LEU 73 H LEU 73 -8.546 0.644 3.458
173 HA LEU 73 HA LEU 73 -9.001 -0.596 6.119
174 1HB LEU 73 2HB LEU 73 -10.806 1.268 4.562
175 2HB LEU 73 3HB LEU 73 -10.704 1.064 6.310
176 HG LEU 73 HG LEU 73 -8.450 2.144 4.594
177 1HD1 LEU 73 1HD1 LEU 73 -10.502 3.577 6.310
178 2HD1 LEU 73 2HD1 LEU 73 -9.056 4.336 5.646
179 3HD1 LEU 73 3HD1 LEU 73 -10.305 3.723 4.563
180 1HD2 LEU 73 1HD2 LEU 73 -7.985 0.984 6.850
181 2HD2 LEU 73 2HD2 LEU 73 -7.352 2.618 6.652
182 3HD2 LEU 73 3HD2 LEU 73 -8.821 2.350 7.589
183 HA PRO 74 HA PRO 74 -11.989 -3.570 4.911
184 1HB PRO 74 2HB PRO 74 -14.291 -2.144 6.094
185 2HB PRO 74 3HB PRO 74 -13.589 -3.712 6.545
186 1HG PRO 74 2HG PRO 74 -13.323 -1.507 8.067
187 2HG PRO 74 3HG PRO 74 -12.095 -2.779 7.991
188 1HD PRO 74 2HD PRO 74 -12.094 -0.079 6.750
189 2HD PRO 74 3HD PRO 74 -10.737 -1.040 7.380
190 H ALA 75 H ALA 75 -12.424 -0.312 3.997
191 HA ALA 75 HA ALA 75 -14.738 -0.713 2.247
192 1HB ALA 75 1HB ALA 75 -12.705 1.475 2.731
193 2HB ALA 75 2HB ALA 75 -13.979 1.631 1.520
194 3HB ALA 75 3HB ALA 75 -14.399 1.444 3.222
195 H PHE 76 H PHE 76 -11.209 -0.547 1.881
196 HA PHE 76 HA PHE 76 -11.526 -1.211 -1.016
197 1HB PHE 76 2HB PHE 76 -9.057 -0.175 0.393
198 2HB PHE 76 3HB PHE 76 -9.440 -0.094 -1.329
199 HD1 PHE 76 HD1 PHE 76 -10.356 1.216 2.024
200 HD2 PHE 76 HD2 PHE 76 -10.805 1.657 -2.225
201 HE1 PHE 76 HE1 PHE 76 -11.439 3.421 2.368
202 HE2 PHE 76 HE2 PHE 76 -11.888 3.862 -1.881
203 HZ PHE 76 HZ PHE 76 -12.205 4.744 0.416
204 H GLU 77 H GLU 77 -9.369 -2.472 -1.740
205 HA GLU 77 HA GLU 77 -8.209 -4.309 0.184
206 1HB GLU 77 2HB GLU 77 -10.797 -4.867 -0.457
207 2HB GLU 77 3HB GLU 77 -9.956 -5.775 -1.714
208 1HG GLU 77 2HG GLU 77 -9.128 -5.973 1.181
209 2HG GLU 77 3HG GLU 77 -10.409 -6.990 0.521
210 H GLY 78 H GLY 78 -6.701 -2.937 -1.458
211 1HA GLY 78 2HA GLY 78 -5.818 -4.907 -3.487
212 2HA GLY 78 3HA GLY 78 -6.192 -3.282 -4.062
213 H ARG 79 H ARG 79 -3.612 -4.248 -4.360
214 HA ARG 79 HA ARG 79 -1.726 -3.832 -2.332
215 1HB ARG 79 2HB ARG 79 -1.576 -3.042 -5.261
216 2HB ARG 79 3HB ARG 79 -0.196 -3.369 -4.212
217 1HG ARG 79 2HG ARG 79 -2.216 -5.512 -4.239
218 2HG ARG 79 3HG ARG 79 -1.425 -5.248 -5.793
219 1HD ARG 79 2HD ARG 79 0.489 -5.177 -3.584
220 2HD ARG 79 3HD ARG 79 -0.368 -6.728 -3.682
221 HE ARG 79 HE ARG 79 1.332 -5.560 -5.809
222 1HH1 ARG 79 1HH1 ARG 79 -1.277 -7.667 -5.110
223 2HH1 ARG 79 2HH1 ARG 79 -0.769 -8.898 -6.217
224 1HH2 ARG 79 1HH2 ARG 79 2.164 -7.268 -7.095
225 2HH2 ARG 79 2HH2 ARG 79 1.180 -8.672 -7.341
226 H ASN 80 H ASN 80 -3.562 -1.440 -4.158
227 HA ASN 80 HA ASN 80 -2.327 0.701 -2.462
228 1HB ASN 80 2HB ASN 80 -3.035 0.838 -5.413
229 2HB ASN 80 3HB ASN 80 -2.275 2.118 -4.465
230 1HD2 ASN 80 1HD2 ASN 80 0.937 0.843 -5.106
231 2HD2 ASN 80 2HD2 ASN 80 -0.058 2.194 -4.796
232 H CYS 81 H CYS 81 -4.843 -0.703 -2.035
233 HA CYS 81 HA CYS 81 -7.126 -0.229 -1.634
234 1HB CYS 81 2HB CYS 81 -6.172 2.640 -1.813
235 2HB CYS 81 3HB CYS 81 -7.469 1.994 -0.806
236 H GLU 82 H GLU 82 -5.931 -0.084 -4.520
237 HA GLU 82 HA GLU 82 -7.665 1.818 -5.911
238 1HB GLU 82 2HB GLU 82 -5.557 1.344 -6.889
239 2HB GLU 82 3HB GLU 82 -5.750 -0.397 -6.660
240 1HG GLU 82 2HG GLU 82 -7.567 -0.424 -8.320
241 2HG GLU 82 3HG GLU 82 -7.404 1.319 -8.538
242 H THR 83 H THR 83 -7.930 -1.462 -4.796
243 HA THR 83 HA THR 83 -10.097 -2.164 -6.675
244 HB THR 83 HB THR 83 -8.751 -3.511 -4.317
245 HG1 THR 83 HG1 THR 83 -7.783 -3.198 -6.526
246 1HG2 THR 83 3HG2 THR 83 -11.316 -4.055 -5.432
247 2HG2 THR 83 1HG2 THR 83 -10.224 -5.339 -5.952
248 3HG2 THR 83 2HG2 THR 83 -10.430 -4.999 -4.234
249 H HIS 84 H HIS 84 -11.084 0.016 -5.522
250 HA HIS 84 HA HIS 84 -12.222 0.078 -2.995
251 1HB HIS 84 2HB HIS 84 -12.486 1.905 -4.509
252 2HB HIS 84 3HB HIS 84 -13.264 0.884 -5.718
253 HD1 HIS 84 HD1 HIS 84 -15.709 1.307 -5.802
254 HD2 HIS 84 HD2 HIS 84 -14.234 1.695 -1.923
255 HE1 HIS 84 HE1 HIS 84 -17.694 1.874 -4.334
256 H LYS 85 H LYS 85 -13.219 -1.649 -1.998
257 HA LYS 85 HA LYS 85 -14.473 -3.862 -3.180
258 1HB LYS 85 2HB LYS 85 -15.076 -2.403 -0.584
259 2HB LYS 85 3HB LYS 85 -15.584 -4.057 -0.947
260 1HG LYS 85 2HG LYS 85 -13.314 -4.820 -1.070
261 2HG LYS 85 3HG LYS 85 -12.691 -3.171 -1.043
262 1HD LYS 85 2HD LYS 85 -12.609 -3.246 1.202
263 2HD LYS 85 3HD LYS 85 -14.354 -3.498 1.250
264 1HE LYS 85 2HE LYS 85 -12.329 -5.728 0.839
265 2HE LYS 85 3HE LYS 85 -13.101 -5.344 2.391
266 1HZ LYS 85 3HZ LYS 85 -15.264 -5.433 1.053
267 2HZ LYS 85 1HZ LYS 85 -14.362 -6.278 -0.113
268 3HZ LYS 85 2HZ LYS 85 -14.525 -6.909 1.453
No H/Q in entry = 268
Start of MODEL 23
1 1H SER 45 3H SER 45 16.410 -4.998 -2.723
2 2H SER 45 2H SER 45 17.499 -5.000 -4.027
3 3H SER 45 1H SER 45 17.268 -3.586 -3.119
4 HA SER 45 HA SER 45 16.022 -3.212 -5.056
5 1HB SER 45 2HB SER 45 16.140 -6.025 -5.055
6 2HB SER 45 3HB SER 45 14.422 -5.636 -5.023
7 HG SER 45 HG SER 45 15.215 -5.689 -7.154
8 H ASP 46 H ASP 46 15.561 -2.624 -2.290
9 HA ASP 46 HA ASP 46 12.776 -1.918 -2.326
10 1HB ASP 46 2HB ASP 46 12.132 -3.537 -0.453
11 2HB ASP 46 3HB ASP 46 12.374 -4.268 -2.040
12 H GLY 47 H GLY 47 12.098 -1.302 0.079
13 1HA GLY 47 2HA GLY 47 13.014 -0.681 2.314
14 2HA GLY 47 3HA GLY 47 14.518 -0.254 1.495
15 H ASP 48 H ASP 48 12.423 0.785 -0.679
16 HA ASP 48 HA ASP 48 11.868 3.397 0.688
17 1HB ASP 48 2HB ASP 48 13.106 2.846 -2.027
18 2HB ASP 48 3HB ASP 48 12.622 4.448 -1.470
19 H GLN 49 H GLN 49 10.567 0.787 -0.898
20 HA GLN 49 HA GLN 49 8.845 1.579 -2.888
21 1HB GLN 49 2HB GLN 49 8.412 -0.151 -0.459
22 2HB GLN 49 3HB GLN 49 7.242 -0.070 -1.776
23 1HG GLN 49 2HG GLN 49 8.547 -1.310 -3.161
24 2HG GLN 49 3HG GLN 49 10.016 -0.465 -2.674
25 1HE2 GLN 49 1HE2 GLN 49 10.171 -2.671 0.368
26 2HE2 GLN 49 2HE2 GLN 49 9.972 -0.994 0.130
27 H CYS 50 H CYS 50 8.312 2.088 0.603
28 HA CYS 50 HA CYS 50 5.847 3.620 0.125
29 1HB CYS 50 2HB CYS 50 6.134 2.136 2.067
30 2HB CYS 50 3HB CYS 50 7.534 3.072 2.591
31 H ALA 51 H ALA 51 8.043 4.808 -1.225
32 HA ALA 51 HA ALA 51 9.172 6.962 0.405
33 1HB ALA 51 1HB ALA 51 9.559 5.698 -2.140
34 2HB ALA 51 2HB ALA 51 9.383 7.433 -2.405
35 3HB ALA 51 3HB ALA 51 10.630 6.830 -1.314
36 H SER 52 H SER 52 7.111 7.028 -2.534
37 HA SER 52 HA SER 52 6.071 9.685 -1.695
38 1HB SER 52 2HB SER 52 6.993 8.909 -4.032
39 2HB SER 52 3HB SER 52 5.390 8.206 -4.228
40 HG SER 52 HG SER 52 4.802 10.496 -3.385
41 H SER 53 H SER 53 5.243 7.084 -0.390
42 HA SER 53 HA SER 53 3.235 6.100 0.377
43 1HB SER 53 2HB SER 53 2.197 8.717 -0.758
44 2HB SER 53 3HB SER 53 1.316 7.680 0.359
45 HG SER 53 HG SER 53 2.676 8.207 1.943
46 HA PRO 54 HA PRO 54 2.253 4.784 -3.954
47 1HB PRO 54 2HB PRO 54 2.733 2.115 -3.498
48 2HB PRO 54 3HB PRO 54 3.983 3.258 -4.033
49 1HG PRO 54 2HG PRO 54 3.467 2.144 -1.332
50 2HG PRO 54 3HG PRO 54 5.000 2.569 -2.109
51 1HD PRO 54 2HD PRO 54 3.747 4.106 -0.208
52 2HD PRO 54 3HD PRO 54 4.894 4.735 -1.411
53 H CYS 55 H CYS 55 1.021 4.414 -0.864
54 HA CYS 55 HA CYS 55 -1.177 2.571 -1.667
55 1HB CYS 55 2HB CYS 55 -0.715 3.869 1.026
56 2HB CYS 55 3HB CYS 55 -1.533 2.344 0.675
57 H GLN 56 H GLN 56 -3.433 3.275 -1.141
58 HA GLN 56 HA GLN 56 -3.799 6.234 -1.086
59 1HB GLN 56 2HB GLN 56 -4.997 4.235 -3.028
60 2HB GLN 56 3HB GLN 56 -5.460 5.935 -2.935
61 1HG GLN 56 2HG GLN 56 -3.291 6.665 -3.598
62 2HG GLN 56 3HG GLN 56 -2.599 5.060 -3.357
63 1HE2 GLN 56 1HE2 GLN 56 -3.412 3.975 -6.607
64 2HE2 GLN 56 2HE2 GLN 56 -2.566 3.684 -5.154
65 H ASN 57 H ASN 57 -6.354 6.600 -0.979
66 HA ASN 57 HA ASN 57 -8.289 6.381 0.356
67 1HB ASN 57 2HB ASN 57 -7.437 3.500 -0.057
68 2HB ASN 57 3HB ASN 57 -9.001 3.973 0.607
69 1HD2 ASN 57 1HD2 ASN 57 -8.579 3.914 -3.359
70 2HD2 ASN 57 2HD2 ASN 57 -7.519 3.134 -2.273
71 H GLY 58 H GLY 58 -5.818 6.888 1.751
72 1HA GLY 58 2HA GLY 58 -5.007 6.906 3.951
73 2HA GLY 58 3HA GLY 58 -6.600 6.325 4.433
74 H GLY 59 H GLY 59 -4.620 4.522 2.165
75 1HA GLY 59 2HA GLY 59 -4.601 2.263 4.066
76 2HA GLY 59 3HA GLY 59 -4.106 2.193 2.370
77 H SER 60 H SER 60 -2.709 1.403 4.976
78 HA SER 60 HA SER 60 -0.429 3.227 5.192
79 1HB SER 60 2HB SER 60 -0.892 0.406 6.213
80 2HB SER 60 3HB SER 60 0.342 1.522 6.792
81 HG SER 60 HG SER 60 -2.403 1.481 7.224
82 H CYS 61 H CYS 61 1.849 2.211 4.938
83 HA CYS 61 HA CYS 61 1.926 0.569 2.426
84 1HB CYS 61 2HB CYS 61 3.941 1.882 1.881
85 2HB CYS 61 3HB CYS 61 2.580 2.957 2.191
86 H LYS 62 H LYS 62 2.709 -1.458 2.893
87 HA LYS 62 HA LYS 62 4.561 -1.779 5.215
88 1HB LYS 62 2HB LYS 62 2.432 -3.110 4.964
89 2HB LYS 62 3HB LYS 62 3.134 -3.846 3.524
90 1HG LYS 62 2HG LYS 62 4.419 -5.240 4.740
91 2HG LYS 62 3HG LYS 62 4.971 -3.927 5.784
92 1HD LYS 62 2HD LYS 62 2.459 -4.124 6.694
93 2HD LYS 62 3HD LYS 62 2.666 -5.785 6.135
94 1HE LYS 62 2HE LYS 62 4.918 -5.731 7.433
95 2HE LYS 62 3HE LYS 62 4.238 -4.309 8.251
96 1HZ LYS 62 3HZ LYS 62 2.138 -5.905 8.305
97 2HZ LYS 62 1HZ LYS 62 3.356 -7.090 8.330
98 3HZ LYS 62 2HZ LYS 62 3.303 -5.905 9.542
99 H ASP 63 H ASP 63 6.595 -2.791 4.936
100 HA ASP 63 HA ASP 63 7.570 -2.912 2.106
101 1HB ASP 63 2HB ASP 63 9.793 -2.540 3.213
102 2HB ASP 63 3HB ASP 63 8.641 -1.242 3.534
103 H GLN 64 H GLN 64 7.479 -5.051 1.462
104 HA GLN 64 HA GLN 64 8.229 -7.156 3.447
105 1HB GLN 64 2HB GLN 64 7.332 -8.233 0.936
106 2HB GLN 64 3HB GLN 64 6.538 -8.316 2.503
107 1HG GLN 64 2HG GLN 64 5.529 -6.072 2.074
108 2HG GLN 64 3HG GLN 64 6.269 -6.078 0.472
109 1HE2 GLN 64 1HE2 GLN 64 3.800 -8.174 -0.930
110 2HE2 GLN 64 2HE2 GLN 64 5.197 -7.230 -1.185
111 H LEU 65 H LEU 65 9.355 -9.116 2.196
112 HA LEU 65 HA LEU 65 11.909 -8.085 1.249
113 1HB LEU 65 2HB LEU 65 10.998 -10.310 2.571
114 2HB LEU 65 3HB LEU 65 11.300 -10.953 0.957
115 HG LEU 65 HG LEU 65 13.392 -9.165 2.085
116 1HD1 LEU 65 1HD1 LEU 65 12.781 -11.938 3.133
117 2HD1 LEU 65 2HD1 LEU 65 14.376 -11.201 3.270
118 3HD1 LEU 65 3HD1 LEU 65 12.989 -10.453 4.062
119 1HD2 LEU 65 1HD2 LEU 65 13.468 -10.315 -0.166
120 2HD2 LEU 65 2HD2 LEU 65 14.845 -10.673 0.876
121 3HD2 LEU 65 3HD2 LEU 65 13.548 -11.854 0.691
122 H GLN 66 H GLN 66 9.006 -9.194 -0.247
123 HA GLN 66 HA GLN 66 10.323 -9.686 -2.860
124 1HB GLN 66 2HB GLN 66 7.401 -9.748 -2.034
125 2HB GLN 66 3HB GLN 66 8.095 -10.460 -3.492
126 1HG GLN 66 2HG GLN 66 9.368 -12.051 -2.189
127 2HG GLN 66 3HG GLN 66 8.904 -11.259 -0.683
128 1HE2 GLN 66 1HE2 GLN 66 6.592 -14.122 -1.025
129 2HE2 GLN 66 2HE2 GLN 66 8.245 -13.889 -0.721
130 H SER 67 H SER 67 8.380 -7.301 -1.191
131 HA SER 67 HA SER 67 9.047 -5.155 -2.949
132 1HB SER 67 2HB SER 67 7.700 -6.417 -4.554
133 2HB SER 67 3HB SER 67 6.378 -6.536 -3.398
134 HG SER 67 HG SER 67 6.282 -4.807 -5.054
135 H TYR 68 H TYR 68 5.742 -4.864 -2.343
136 HA TYR 68 HA TYR 68 5.904 -4.257 0.517
137 1HB TYR 68 2HB TYR 68 5.507 -1.831 0.175
138 2HB TYR 68 3HB TYR 68 7.056 -2.347 -0.501
139 HD1 TYR 68 HD1 TYR 68 7.299 -2.686 -2.960
140 HD2 TYR 68 HD2 TYR 68 3.721 -1.050 -1.234
141 HE1 TYR 68 HE1 TYR 68 6.600 -1.858 -5.191
142 HE2 TYR 68 HE2 TYR 68 3.025 -0.219 -3.465
143 HH TYR 68 HH TYR 68 4.043 0.368 -5.607
144 H ILE 69 H ILE 69 3.814 -4.104 1.402
145 HA ILE 69 HA ILE 69 1.539 -4.210 -0.546
146 HB ILE 69 HB ILE 69 2.219 -6.412 0.398
147 1HG1 ILE 69 2HG1 ILE 69 -0.383 -5.620 1.687
148 2HG1 ILE 69 3HG1 ILE 69 -0.225 -5.659 -0.070
149 1HG2 ILE 69 3HG2 ILE 69 3.069 -5.449 2.561
150 2HG2 ILE 69 1HG2 ILE 69 1.393 -5.218 3.057
151 3HG2 ILE 69 2HG2 ILE 69 2.011 -6.844 2.768
152 1HD1 ILE 69 1HD1 ILE 69 0.959 -8.025 1.059
153 2HD1 ILE 69 2HD1 ILE 69 -0.693 -7.849 1.655
154 3HD1 ILE 69 3HD1 ILE 69 -0.383 -7.900 -0.081
155 H CYS 70 H CYS 70 0.177 -2.508 -0.156
156 HA CYS 70 HA CYS 70 0.366 -0.953 2.303
157 1HB CYS 70 2HB CYS 70 -1.518 -0.866 -0.063
158 2HB CYS 70 3HB CYS 70 -1.357 0.396 1.157
159 H PHE 71 H PHE 71 -1.013 -1.050 4.054
160 HA PHE 71 HA PHE 71 -3.043 -3.213 4.093
161 1HB PHE 71 2HB PHE 71 -1.534 -1.519 6.052
162 2HB PHE 71 3HB PHE 71 -3.065 -2.234 6.571
163 HD1 PHE 71 HD1 PHE 71 0.059 -3.203 4.722
164 HD2 PHE 71 HD2 PHE 71 -3.018 -4.378 7.480
165 HE1 PHE 71 HE1 PHE 71 1.188 -5.387 5.053
166 HE2 PHE 71 HE2 PHE 71 -1.890 -6.561 7.810
167 HZ PHE 71 HZ PHE 71 0.213 -7.066 6.595
168 H CYS 72 H CYS 72 -4.538 -2.033 2.637
169 HA CYS 72 HA CYS 72 -5.598 0.560 3.163
170 1HB CYS 72 2HB CYS 72 -6.988 -1.840 1.935
171 2HB CYS 72 3HB CYS 72 -7.324 -0.138 1.604
172 H LEU 73 H LEU 73 -8.389 0.121 3.315
173 HA LEU 73 HA LEU 73 -8.675 -0.874 6.131
174 1HB LEU 73 2HB LEU 73 -10.401 1.171 4.718
175 2HB LEU 73 3HB LEU 73 -10.212 0.921 6.452
176 HG LEU 73 HG LEU 73 -7.626 1.415 5.714
177 1HD1 LEU 73 3HD1 LEU 73 -8.706 1.961 3.386
178 2HD1 LEU 73 1HD1 LEU 73 -9.197 3.464 4.168
179 3HD1 LEU 73 2HD1 LEU 73 -7.486 3.051 4.044
180 1HD2 LEU 73 3HD2 LEU 73 -9.801 3.370 6.529
181 2HD2 LEU 73 1HD2 LEU 73 -8.731 2.467 7.603
182 3HD2 LEU 73 2HD2 LEU 73 -8.078 3.742 6.576
183 HA PRO 74 HA PRO 74 -12.000 -3.533 5.071
184 1HB PRO 74 2HB PRO 74 -14.123 -1.883 6.299
185 2HB PRO 74 3HB PRO 74 -13.561 -3.506 6.747
186 1HG PRO 74 2HG PRO 74 -13.039 -1.330 8.240
187 2HG PRO 74 3HG PRO 74 -11.933 -2.708 8.132
188 1HD PRO 74 2HD PRO 74 -11.740 -0.028 6.859
189 2HD PRO 74 3HD PRO 74 -10.450 -1.093 7.465
190 H ALA 75 H ALA 75 -12.146 -0.270 4.089
191 HA ALA 75 HA ALA 75 -14.544 -0.523 2.407
192 1HB ALA 75 1HB ALA 75 -12.459 1.528 3.066
193 2HB ALA 75 2HB ALA 75 -13.431 1.758 1.612
194 3HB ALA 75 3HB ALA 75 -14.215 1.644 3.189
195 H PHE 76 H PHE 76 -11.036 -0.736 2.027
196 HA PHE 76 HA PHE 76 -11.439 -1.352 -0.873
197 1HB PHE 76 2HB PHE 76 -8.932 -0.362 0.510
198 2HB PHE 76 3HB PHE 76 -9.266 -0.380 -1.225
199 HD1 PHE 76 HD1 PHE 76 -10.330 1.125 2.015
200 HD2 PHE 76 HD2 PHE 76 -10.443 1.400 -2.270
201 HE1 PHE 76 HE1 PHE 76 -11.348 3.379 2.187
202 HE2 PHE 76 HE2 PHE 76 -11.462 3.654 -2.099
203 HZ PHE 76 HZ PHE 76 -11.914 4.645 0.130
204 H GLU 77 H GLU 77 -9.578 -2.845 -1.688
205 HA GLU 77 HA GLU 77 -8.465 -4.688 0.326
206 1HB GLU 77 2HB GLU 77 -11.028 -5.109 -0.539
207 2HB GLU 77 3HB GLU 77 -10.114 -6.063 -1.708
208 1HG GLU 77 2HG GLU 77 -9.446 -6.293 1.209
209 2HG GLU 77 3HG GLU 77 -10.852 -7.150 0.577
210 H GLY 78 H GLY 78 -7.764 -2.932 -2.151
211 1HA GLY 78 2HA GLY 78 -6.493 -5.042 -3.829
212 2HA GLY 78 3HA GLY 78 -6.723 -3.363 -4.317
213 H ARG 79 H ARG 79 -4.213 -4.400 -4.618
214 HA ARG 79 HA ARG 79 -2.381 -4.299 -2.494
215 1HB ARG 79 2HB ARG 79 -2.087 -3.272 -5.337
216 2HB ARG 79 3HB ARG 79 -0.761 -3.752 -4.278
217 1HG ARG 79 2HG ARG 79 -2.877 -5.783 -4.538
218 2HG ARG 79 3HG ARG 79 -2.030 -5.432 -6.045
219 1HD ARG 79 2HD ARG 79 -0.383 -5.803 -3.566
220 2HD ARG 79 3HD ARG 79 -1.053 -7.242 -4.360
221 HE ARG 79 HE ARG 79 -0.015 -5.691 -6.438
222 1HH1 ARG 79 1HH1 ARG 79 1.982 -4.949 -4.249
223 2HH1 ARG 79 2HH1 ARG 79 3.219 -6.134 -4.514
224 1HH2 ARG 79 1HH2 ARG 79 1.217 -8.168 -6.482
225 2HH2 ARG 79 2HH2 ARG 79 2.785 -7.956 -5.778
226 H ASN 80 H ASN 80 -3.336 -1.567 -4.616
227 HA ASN 80 HA ASN 80 -2.212 0.324 -2.594
228 1HB ASN 80 2HB ASN 80 -2.834 0.352 -5.536
229 2HB ASN 80 3HB ASN 80 -2.714 1.882 -4.665
230 1HD2 ASN 80 1HD2 ASN 80 0.716 -0.228 -4.094
231 2HD2 ASN 80 2HD2 ASN 80 -0.782 -0.809 -3.521
232 H CYS 81 H CYS 81 -4.800 -1.050 -2.185
233 HA CYS 81 HA CYS 81 -6.986 -0.483 -1.482
234 1HB CYS 81 2HB CYS 81 -5.934 2.353 -1.652
235 2HB CYS 81 3HB CYS 81 -7.179 1.729 -0.570
236 H GLU 82 H GLU 82 -5.949 -0.149 -4.460
237 HA GLU 82 HA GLU 82 -7.806 1.786 -5.615
238 1HB GLU 82 2HB GLU 82 -5.801 1.432 -6.798
239 2HB GLU 82 3HB GLU 82 -5.877 -0.319 -6.584
240 1HG GLU 82 2HG GLU 82 -7.890 -0.364 -8.071
241 2HG GLU 82 3HG GLU 82 -7.671 1.362 -8.362
242 H THR 83 H THR 83 -8.037 -1.480 -4.551
243 HA THR 83 HA THR 83 -10.205 -2.243 -6.387
244 HB THR 83 HB THR 83 -9.085 -3.512 -3.864
245 HG1 THR 83 HG1 THR 83 -8.389 -3.565 -6.577
246 1HG2 THR 83 3HG2 THR 83 -11.420 -4.124 -5.242
247 2HG2 THR 83 1HG2 THR 83 -10.238 -5.255 -5.902
248 3HG2 THR 83 2HG2 THR 83 -10.541 -5.209 -4.165
249 H HIS 84 H HIS 84 -11.302 -0.066 -5.485
250 HA HIS 84 HA HIS 84 -12.436 0.211 -2.953
251 1HB HIS 84 2HB HIS 84 -12.689 1.893 -4.641
252 2HB HIS 84 3HB HIS 84 -13.488 0.766 -5.738
253 HD1 HIS 84 HD1 HIS 84 -15.972 0.916 -5.735
254 HD2 HIS 84 HD2 HIS 84 -14.363 2.204 -2.111
255 HE1 HIS 84 HE1 HIS 84 -17.923 1.698 -4.323
256 H LYS 85 H LYS 85 -13.290 -1.571 -1.876
257 HA LYS 85 HA LYS 85 -14.572 -3.828 -2.884
258 1HB LYS 85 2HB LYS 85 -14.983 -2.185 -0.374
259 2HB LYS 85 3HB LYS 85 -15.769 -3.749 -0.613
260 1HG LYS 85 2HG LYS 85 -13.627 -4.860 -0.838
261 2HG LYS 85 3HG LYS 85 -12.776 -3.316 -0.809
262 1HD LYS 85 2HD LYS 85 -13.240 -2.960 1.473
263 2HD LYS 85 3HD LYS 85 -14.558 -4.132 1.479
264 1HE LYS 85 2HE LYS 85 -11.590 -4.748 1.243
265 2HE LYS 85 3HE LYS 85 -12.667 -5.174 2.587
266 1HZ LYS 85 3HZ LYS 85 -14.065 -6.170 0.603
267 2HZ LYS 85 1HZ LYS 85 -12.529 -6.301 -0.109
268 3HZ LYS 85 2HZ LYS 85 -12.851 -7.071 1.370
No H/Q in entry = 268