Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15746 | 1ywj RC | 6558 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H SER 15 H SER 15 -8.843 -3.252 -2.717
2 HA SER 15 HA SER 15 -10.829 -3.074 -4.774
3 1HB SER 15 2HB SER 15 -11.354 -4.750 -2.318
4 2HB SER 15 1HB SER 15 -12.644 -4.092 -3.325
5 HG SER 15 HG SER 15 -12.315 -5.675 -4.651
6 H MET 16 H MET 16 -10.397 -2.861 -1.250
7 HA MET 16 HA MET 16 -11.910 -0.366 -1.200
8 1HB MET 16 2HB MET 16 -10.794 -2.106 1.002
9 2HB MET 16 1HB MET 16 -11.624 -0.584 1.289
10 1HG MET 16 2HG MET 16 -13.652 -1.459 0.334
11 2HG MET 16 1HG MET 16 -12.833 -2.953 -0.118
12 1HE MET 16 1HE MET 16 -13.417 -1.705 4.290
13 2HE MET 16 2HE MET 16 -13.844 -0.666 2.930
14 3HE MET 16 3HE MET 16 -12.153 -1.051 3.250
15 H TRP 17 H TRP 17 -8.700 -1.418 -1.405
16 HA TRP 17 HA TRP 17 -7.683 1.092 -0.267
17 1HB TRP 17 2HB TRP 17 -6.077 -1.350 -1.028
18 2HB TRP 17 1HB TRP 17 -5.518 0.051 -0.122
19 HD1 TRP 17 HD TRP 17 -8.268 -2.670 0.345
20 HE1 TRP 17 1HE TRP 17 -8.287 -3.309 2.837
21 HE3 TRP 17 3HE TRP 17 -4.666 0.526 2.009
22 HZ2 TRP 17 2HZ TRP 17 -6.951 -2.541 5.208
23 HZ3 TRP 17 3HZ TRP 17 -4.087 0.517 4.397
24 HH2 TRP 17 HH TRP 17 -5.203 -0.987 5.968
25 H THR 18 H THR 18 -6.309 2.405 -1.402
26 HA THR 18 HA THR 18 -5.967 1.837 -4.262
27 HB THR 18 HB THR 18 -6.494 4.621 -3.217
28 HG1 THR 18 1HG THR 18 -8.397 2.831 -4.367
29 1HG2 THR 18 1HG2 THR 18 -5.390 4.379 -5.414
30 2HG2 THR 18 2HG2 THR 18 -6.990 5.108 -5.544
31 3HG2 THR 18 3HG2 THR 18 -6.755 3.414 -5.973
32 H GLU 19 H GLU 19 -3.809 1.628 -4.560
33 HA GLU 19 HA GLU 19 -2.039 3.141 -2.804
34 1HB GLU 19 2HB GLU 19 -0.362 1.531 -3.213
35 2HB GLU 19 1HB GLU 19 -1.858 0.641 -2.981
36 1HG GLU 19 2HG GLU 19 -0.579 1.270 -5.633
37 2HG GLU 19 1HG GLU 19 -0.530 -0.282 -4.799
38 H HIS 20 H HIS 20 -0.357 4.352 -3.449
39 HA HIS 20 HA HIS 20 0.223 4.801 -6.258
40 1HB HIS 20 2HB HIS 20 -0.702 7.082 -4.492
41 2HB HIS 20 1HB HIS 20 -0.146 7.216 -6.155
42 HD1 HIS 20 1HD HIS 20 -1.777 6.379 -8.015
43 HD2 HIS 20 2HD HIS 20 -3.350 6.316 -4.167
44 HE1 HIS 20 1HE HIS 20 -4.260 6.112 -8.308
45 HE2 HIS 20 2HE HIS 20 -5.199 6.198 -5.973
46 H LYS 21 H LYS 21 2.228 5.979 -6.560
47 HA LYS 21 HA LYS 21 4.281 5.369 -4.861
48 1HB LYS 21 2HB LYS 21 4.172 7.828 -6.612
49 2HB LYS 21 1HB LYS 21 5.620 7.001 -6.046
50 1HG LYS 21 2HG LYS 21 5.562 5.923 -7.990
51 2HG LYS 21 1HG LYS 21 4.241 4.999 -7.271
52 1HD LYS 21 2HD LYS 21 2.626 6.592 -8.210
53 2HD LYS 21 1HD LYS 21 3.954 7.489 -8.951
54 1HE LYS 21 2HE LYS 21 3.184 4.630 -9.531
55 2HE LYS 21 1HE LYS 21 2.890 6.020 -10.576
56 1HZ LYS 21 1HZ LYS 21 4.829 4.786 -11.293
57 2HZ LYS 21 2HZ LYS 21 5.556 4.981 -9.780
58 3HZ LYS 21 3HZ LYS 21 5.285 6.328 -10.766
59 H SER 22 H SER 22 5.629 6.647 -3.496
60 HA SER 22 HA SER 22 4.834 9.151 -2.436
61 1HB SER 22 2HB SER 22 3.663 6.761 -1.262
62 2HB SER 22 1HB SER 22 4.587 7.685 -0.077
63 HG SER 22 HG SER 22 2.701 8.893 -1.804
64 HA PRO 23 HA PRO 23 8.792 9.749 -0.485
65 1HB PRO 23 2HB PRO 23 7.883 8.562 2.078
66 2HB PRO 23 1HB PRO 23 8.683 10.103 1.770
67 1HG PRO 23 2HG PRO 23 5.924 9.675 2.163
68 2HG PRO 23 1HG PRO 23 6.703 11.173 1.633
69 1HD PRO 23 2HD PRO 23 4.959 9.577 0.125
70 2HD PRO 23 1HD PRO 23 5.989 10.873 -0.499
71 H ASP 24 H ASP 24 10.669 8.630 -0.087
72 HA ASP 24 HA ASP 24 12.124 6.894 0.071
73 1HB ASP 24 2HB ASP 24 10.663 6.076 1.932
74 2HB ASP 24 1HB ASP 24 9.758 5.134 0.752
75 H GLY 25 H GLY 25 9.641 7.172 -2.079
76 1HA GLY 25 2HA GLY 25 9.514 6.585 -4.300
77 2HA GLY 25 1HA GLY 25 11.054 5.762 -4.107
78 H ARG 26 H ARG 26 7.939 5.302 -2.525
79 HA ARG 26 HA ARG 26 7.639 2.708 -3.821
80 1HB ARG 26 2HB ARG 26 6.947 1.825 -1.467
81 2HB ARG 26 1HB ARG 26 8.645 1.869 -1.914
82 1HG ARG 26 2HG ARG 26 8.742 4.113 -0.737
83 2HG ARG 26 1HG ARG 26 7.156 3.716 -0.083
84 1HD ARG 26 2HD ARG 26 9.658 2.077 0.247
85 2HD ARG 26 1HD ARG 26 8.928 3.113 1.469
86 HE ARG 26 HE ARG 26 7.198 1.048 0.429
87 1HH1 ARG 26 1HH1 ARG 26 9.497 1.960 2.884
88 2HH1 ARG 26 2HH1 ARG 26 8.973 0.749 4.007
89 1HH2 ARG 26 1HH2 ARG 26 6.503 -0.550 1.904
90 2HH2 ARG 26 2HH2 ARG 26 7.272 -0.676 3.450
91 H THR 27 H THR 27 5.423 1.781 -3.305
92 HA THR 27 HA THR 27 3.534 4.031 -3.330
93 HB THR 27 HB THR 27 3.408 2.768 -5.363
94 HG1 THR 27 1HG THR 27 1.382 3.249 -3.912
95 1HG2 THR 27 1HG2 THR 27 3.023 0.339 -3.611
96 2HG2 THR 27 2HG2 THR 27 4.408 0.682 -4.647
97 3HG2 THR 27 3HG2 THR 27 2.828 0.361 -5.364
98 H TYR 28 H TYR 28 2.045 4.260 -1.810
99 HA TYR 28 HA TYR 28 1.798 2.156 0.232
100 1HB TYR 28 2HB TYR 28 1.084 3.847 1.758
101 2HB TYR 28 1HB TYR 28 2.468 4.518 0.906
102 HD1 TYR 28 1HD TYR 28 2.073 6.186 -0.935
103 HD2 TYR 28 2HD TYR 28 -1.036 4.893 1.663
104 HE1 TYR 28 1HE TYR 28 0.731 8.140 -1.582
105 HE2 TYR 28 2HE TYR 28 -2.387 6.845 1.025
106 HH TYR 28 HH TYR 28 -2.053 9.096 0.107
107 H TYR 29 H TYR 29 -0.307 1.601 1.014
108 HA TYR 29 HA TYR 29 -2.367 1.941 -1.046
109 1HB TYR 29 2HB TYR 29 -2.591 -0.019 1.207
110 2HB TYR 29 1HB TYR 29 -3.295 -0.100 -0.394
111 HD1 TYR 29 1HD TYR 29 -0.141 -0.489 1.504
112 HD2 TYR 29 2HD TYR 29 -2.159 -1.178 -2.178
113 HE1 TYR 29 1HE TYR 29 1.695 -1.955 0.778
114 HE2 TYR 29 2HE TYR 29 -0.328 -2.644 -2.913
115 HH TYR 29 HH TYR 29 2.053 -3.810 -0.812
116 H TYR 30 H TYR 30 -3.952 3.289 -0.656
117 HA TYR 30 HA TYR 30 -4.456 4.136 2.103
118 1HB TYR 30 2HB TYR 30 -4.013 6.084 0.961
119 2HB TYR 30 1HB TYR 30 -4.662 5.475 -0.555
120 HD1 TYR 30 1HD TYR 30 -5.921 6.285 2.887
121 HD2 TYR 30 2HD TYR 30 -6.579 6.492 -1.311
122 HE1 TYR 30 1HE TYR 30 -7.997 7.542 3.282
123 HE2 TYR 30 2HE TYR 30 -8.656 7.750 -0.929
124 HH TYR 30 HH TYR 30 -10.310 8.076 0.853
125 H ASN 31 H ASN 31 -6.039 3.007 3.003
126 HA ASN 31 HA ASN 31 -8.138 1.762 1.537
127 1HB ASN 31 2HB ASN 31 -7.148 1.147 3.881
128 2HB ASN 31 1HB ASN 31 -8.269 2.360 4.487
129 1HD2 ASN 31 1HD2 ASN 31 -10.171 1.651 2.280
130 2HD2 ASN 31 2HD2 ASN 31 -10.933 0.199 2.816
131 H THR 32 H THR 32 -9.564 3.007 0.507
132 HA THR 32 HA THR 32 -10.163 5.663 1.025
133 HB THR 32 HB THR 32 -12.169 5.348 -0.375
134 HG1 THR 32 1HG THR 32 -11.658 2.684 0.256
135 1HG2 THR 32 1HG2 THR 32 -11.011 4.597 -2.393
136 2HG2 THR 32 2HG2 THR 32 -9.729 3.896 -1.407
137 3HG2 THR 32 3HG2 THR 32 -9.970 5.643 -1.427
138 H GLU 33 H GLU 33 -12.140 2.817 1.916
139 HA GLU 33 HA GLU 33 -14.082 4.322 3.306
140 1HB GLU 33 2HB GLU 33 -14.715 2.193 2.501
141 2HB GLU 33 1HB GLU 33 -13.345 1.415 3.278
142 1HG GLU 33 2HG GLU 33 -14.330 1.789 5.458
143 2HG GLU 33 1HG GLU 33 -15.666 2.676 4.726
144 H THR 34 H THR 34 -11.678 2.081 4.602
145 HA THR 34 HA THR 34 -12.013 2.793 7.287
146 HB THR 34 HB THR 34 -9.550 1.629 5.978
147 HG1 THR 34 1HG THR 34 -11.206 0.217 5.621
148 1HG2 THR 34 1HG2 THR 34 -10.453 1.633 8.860
149 2HG2 THR 34 2HG2 THR 34 -9.053 2.476 8.198
150 3HG2 THR 34 3HG2 THR 34 -9.089 0.713 8.225
151 H LYS 35 H LYS 35 -9.811 4.026 4.829
152 HA LYS 35 HA LYS 35 -8.752 6.035 4.643
153 1HB LYS 35 2HB LYS 35 -9.625 6.608 7.491
154 2HB LYS 35 1HB LYS 35 -8.905 7.756 6.374
155 1HG LYS 35 2HG LYS 35 -10.868 7.551 4.916
156 2HG LYS 35 1HG LYS 35 -11.596 6.439 6.078
157 1HD LYS 35 2HD LYS 35 -11.606 8.166 7.774
158 2HD LYS 35 1HD LYS 35 -10.775 9.277 6.685
159 1HE LYS 35 2HE LYS 35 -13.519 8.101 6.250
160 2HE LYS 35 1HE LYS 35 -13.179 9.741 6.799
161 1HZ LYS 35 1HZ LYS 35 -13.643 9.688 4.435
162 2HZ LYS 35 2HZ LYS 35 -12.382 8.591 4.179
163 3HZ LYS 35 3HZ LYS 35 -12.042 10.161 4.705
164 H GLN 36 H GLN 36 -7.547 3.790 4.999
165 HA GLN 36 HA GLN 36 -5.455 4.351 7.012
166 1HB GLN 36 2HB GLN 36 -6.735 2.283 7.454
167 2HB GLN 36 1HB GLN 36 -6.239 1.666 5.885
168 1HG GLN 36 2HG GLN 36 -4.906 0.733 7.706
169 2HG GLN 36 1HG GLN 36 -3.925 1.664 6.574
170 1HE2 GLN 36 1HE2 GLN 36 -3.102 3.670 7.218
171 2HE2 GLN 36 2HE2 GLN 36 -2.983 4.111 8.884
172 H SER 37 H SER 37 -3.949 5.381 5.933
173 HA SER 37 HA SER 37 -3.012 4.324 3.362
174 1HB SER 37 2HB SER 37 -2.496 6.986 4.715
175 2HB SER 37 1HB SER 37 -1.804 6.503 3.168
176 HG SER 37 HG SER 37 -3.933 7.773 3.334
177 H THR 38 H THR 38 -1.437 2.823 3.635
178 HA THR 38 HA THR 38 1.035 3.525 4.896
179 HB THR 38 HB THR 38 -0.128 2.933 6.932
180 HG1 THR 38 1HG THR 38 1.152 0.768 7.241
181 1HG2 THR 38 1HG2 THR 38 -1.100 0.707 7.266
182 2HG2 THR 38 2HG2 THR 38 -0.752 0.300 5.586
183 3HG2 THR 38 3HG2 THR 38 -1.915 1.571 5.962
184 H TRP 39 H TRP 39 2.594 1.580 4.856
185 HA TRP 39 HA TRP 39 2.093 0.111 2.358
186 1HB TRP 39 2HB TRP 39 4.718 -0.206 3.673
187 2HB TRP 39 1HB TRP 39 4.351 0.114 1.983
188 HD1 TRP 39 HD TRP 39 5.038 1.831 5.286
189 HE1 TRP 39 1HE TRP 39 5.762 4.267 4.826
190 HE3 TRP 39 3HE TRP 39 4.131 1.980 0.285
191 HZ2 TRP 39 2HZ TRP 39 5.941 5.996 2.598
192 HZ3 TRP 39 3HZ TRP 39 4.604 4.056 -0.945
193 HH2 TRP 39 HH TRP 39 5.490 6.023 0.191
194 H GLU 40 H GLU 40 0.972 -1.712 2.839
195 HA GLU 40 HA GLU 40 2.234 -3.808 4.275
196 1HB GLU 40 2HB GLU 40 1.088 -3.890 6.256
197 2HB GLU 40 1HB GLU 40 1.082 -2.148 6.010
198 1HG GLU 40 2HG GLU 40 -1.165 -2.284 5.072
199 2HG GLU 40 1HG GLU 40 -1.163 -4.029 5.315
200 H LYS 41 H LYS 41 0.811 -5.773 4.354
201 HA LYS 41 HA LYS 41 -0.431 -6.235 1.900
202 1HB LYS 41 2HB LYS 41 -1.219 -8.082 3.979
203 2HB LYS 41 1HB LYS 41 -0.247 -8.363 2.553
204 1HG LYS 41 2HG LYS 41 1.703 -7.429 3.828
205 2HG LYS 41 1HG LYS 41 0.673 -7.463 5.260
206 1HD LYS 41 2HD LYS 41 2.012 -9.457 5.226
207 2HD LYS 41 1HD LYS 41 0.333 -9.893 4.906
208 1HE LYS 41 2HE LYS 41 0.805 -10.030 2.524
209 2HE LYS 41 1HE LYS 41 2.471 -9.530 2.808
210 1HZ LYS 41 1HZ LYS 41 1.224 -12.013 3.859
211 2HZ LYS 41 2HZ LYS 41 2.833 -11.540 4.083
212 3HZ LYS 41 3HZ LYS 41 2.274 -11.930 2.534
213 HA PRO 42 HA PRO 42 -4.367 -4.485 3.340
214 1HB PRO 42 2HB PRO 42 -5.193 -4.319 0.591
215 2HB PRO 42 1HB PRO 42 -4.725 -3.009 1.674
216 1HG PRO 42 2HG PRO 42 -3.277 -3.795 -0.528
217 2HG PRO 42 1HG PRO 42 -2.603 -2.935 0.866
218 1HD PRO 42 2HD PRO 42 -2.505 -5.850 0.207
219 2HD PRO 42 1HD PRO 42 -1.252 -4.811 0.917
Start of MODEL 2
1 H SER 15 H SER 15 -8.552 -3.140 -2.449
2 HA SER 15 HA SER 15 -9.958 -2.215 -4.779
3 1HB SER 15 2HB SER 15 -11.395 -3.864 -2.689
4 2HB SER 15 1HB SER 15 -12.210 -2.876 -3.902
5 HG SER 15 HG SER 15 -10.626 -5.185 -4.272
6 H MET 16 H MET 16 -10.711 -2.501 -1.309
7 HA MET 16 HA MET 16 -11.589 0.158 -1.025
8 1HB MET 16 2HB MET 16 -10.556 -1.801 1.039
9 2HB MET 16 1HB MET 16 -11.321 -0.268 1.427
10 1HG MET 16 2HG MET 16 -13.399 -0.974 0.546
11 2HG MET 16 1HG MET 16 -12.675 -2.401 -0.194
12 1HE MET 16 1HE MET 16 -13.511 -0.584 3.132
13 2HE MET 16 2HE MET 16 -11.879 -1.120 3.532
14 3HE MET 16 3HE MET 16 -13.267 -1.830 4.352
15 H TRP 17 H TRP 17 -8.468 -1.206 -1.224
16 HA TRP 17 HA TRP 17 -7.214 1.185 -0.066
17 1HB TRP 17 2HB TRP 17 -5.859 -1.396 -0.856
18 2HB TRP 17 1HB TRP 17 -5.172 -0.080 0.082
19 HD1 TRP 17 HD TRP 17 -8.113 -2.603 0.456
20 HE1 TRP 17 1HE TRP 17 -8.238 -3.266 2.941
21 HE3 TRP 17 3HE TRP 17 -4.392 0.374 2.260
22 HZ2 TRP 17 2HZ TRP 17 -6.923 -2.604 5.356
23 HZ3 TRP 17 3HZ TRP 17 -3.879 0.303 4.657
24 HH2 TRP 17 HH TRP 17 -5.116 -1.153 6.181
25 H THR 18 H THR 18 -5.976 2.531 -1.257
26 HA THR 18 HA THR 18 -5.926 2.038 -4.143
27 HB THR 18 HB THR 18 -5.530 4.462 -4.366
28 HG1 THR 18 1HG THR 18 -5.044 4.256 -1.724
29 1HG2 THR 18 1HG2 THR 18 -7.751 5.213 -3.697
30 2HG2 THR 18 2HG2 THR 18 -7.916 3.814 -2.636
31 3HG2 THR 18 3HG2 THR 18 -7.829 3.591 -4.383
32 H GLU 19 H GLU 19 -4.036 1.800 -5.192
33 HA GLU 19 HA GLU 19 -1.574 1.940 -3.597
34 1HB GLU 19 2HB GLU 19 -2.032 -0.232 -4.572
35 2HB GLU 19 1HB GLU 19 -2.207 0.482 -6.168
36 1HG GLU 19 2HG GLU 19 0.166 1.151 -6.088
37 2HG GLU 19 1HG GLU 19 0.317 0.323 -4.539
38 H HIS 20 H HIS 20 -0.507 3.800 -3.805
39 HA HIS 20 HA HIS 20 0.165 4.745 -6.489
40 1HB HIS 20 2HB HIS 20 -1.000 6.619 -4.420
41 2HB HIS 20 1HB HIS 20 -0.462 7.045 -6.040
42 HD1 HIS 20 1HD HIS 20 -1.955 6.061 -8.037
43 HD2 HIS 20 2HD HIS 20 -3.602 5.810 -4.229
44 HE1 HIS 20 1HE HIS 20 -4.404 5.616 -8.393
45 HE2 HIS 20 2HE HIS 20 -5.392 5.528 -6.076
46 H LYS 21 H LYS 21 2.118 5.902 -6.596
47 HA LYS 21 HA LYS 21 4.119 5.320 -4.848
48 1HB LYS 21 2HB LYS 21 3.802 7.693 -6.671
49 2HB LYS 21 1HB LYS 21 5.289 7.369 -5.784
50 1HG LYS 21 2HG LYS 21 5.885 5.700 -7.144
51 2HG LYS 21 1HG LYS 21 4.236 5.083 -7.248
52 1HD LYS 21 2HD LYS 21 3.688 6.884 -8.836
53 2HD LYS 21 1HD LYS 21 5.363 7.436 -8.762
54 1HE LYS 21 2HE LYS 21 5.050 6.083 -10.736
55 2HE LYS 21 1HE LYS 21 6.087 5.227 -9.594
56 1HZ LYS 21 1HZ LYS 21 4.194 3.907 -8.905
57 2HZ LYS 21 2HZ LYS 21 4.427 3.766 -10.574
58 3HZ LYS 21 3HZ LYS 21 3.182 4.741 -9.974
59 H SER 22 H SER 22 5.393 6.687 -3.440
60 HA SER 22 HA SER 22 4.380 8.983 -2.166
61 1HB SER 22 2HB SER 22 3.630 6.318 -1.032
62 2HB SER 22 1HB SER 22 4.038 7.611 0.093
63 HG SER 22 HG SER 22 1.889 7.389 -1.671
64 HA PRO 23 HA PRO 23 8.300 9.666 -0.162
65 1HB PRO 23 2HB PRO 23 7.280 8.278 2.284
66 2HB PRO 23 1HB PRO 23 8.215 9.771 2.147
67 1HG PRO 23 2HG PRO 23 5.505 9.698 2.502
68 2HG PRO 23 1HG PRO 23 6.368 11.040 1.732
69 1HD PRO 23 2HD PRO 23 4.513 9.176 0.546
70 2HD PRO 23 1HD PRO 23 5.296 10.573 -0.205
71 H ASP 24 H ASP 24 10.229 8.633 0.181
72 HA ASP 24 HA ASP 24 11.783 6.980 0.302
73 1HB ASP 24 2HB ASP 24 10.162 6.003 2.038
74 2HB ASP 24 1HB ASP 24 9.614 4.938 0.746
75 H GLY 25 H GLY 25 9.478 7.322 -1.970
76 1HA GLY 25 2HA GLY 25 9.460 6.808 -4.210
77 2HA GLY 25 1HA GLY 25 11.007 6.010 -3.966
78 H ARG 26 H ARG 26 7.891 5.371 -2.475
79 HA ARG 26 HA ARG 26 7.665 2.875 -3.966
80 1HB ARG 26 2HB ARG 26 6.919 1.838 -1.679
81 2HB ARG 26 1HB ARG 26 8.616 1.878 -2.123
82 1HG ARG 26 2HG ARG 26 8.691 4.075 -0.798
83 2HG ARG 26 1HG ARG 26 7.153 3.544 -0.119
84 1HD ARG 26 2HD ARG 26 9.048 2.884 1.283
85 2HD ARG 26 1HD ARG 26 8.161 1.493 0.665
86 HE ARG 26 HE ARG 26 10.448 2.280 -0.915
87 1HH1 ARG 26 1HH1 ARG 26 9.271 0.288 1.691
88 2HH1 ARG 26 2HH1 ARG 26 10.567 -0.855 1.572
89 1HH2 ARG 26 1HH2 ARG 26 12.155 0.779 -1.078
90 2HH2 ARG 26 2HH2 ARG 26 12.206 -0.576 0.001
91 H THR 27 H THR 27 5.458 1.856 -3.494
92 HA THR 27 HA THR 27 3.537 4.072 -3.527
93 HB THR 27 HB THR 27 3.440 2.767 -5.535
94 HG1 THR 27 1HG THR 27 1.326 2.777 -5.465
95 1HG2 THR 27 1HG2 THR 27 3.028 0.356 -3.761
96 2HG2 THR 27 2HG2 THR 27 4.476 0.713 -4.702
97 3HG2 THR 27 3HG2 THR 27 2.954 0.364 -5.523
98 H TYR 28 H TYR 28 2.005 4.281 -2.033
99 HA TYR 28 HA TYR 28 1.886 2.235 0.052
100 1HB TYR 28 2HB TYR 28 1.025 3.924 1.543
101 2HB TYR 28 1HB TYR 28 2.487 4.517 0.785
102 HD1 TYR 28 1HD TYR 28 0.176 4.902 -1.753
103 HD2 TYR 28 2HD TYR 28 1.088 6.491 2.089
104 HE1 TYR 28 1HE TYR 28 -0.997 6.975 -2.337
105 HE2 TYR 28 2HE TYR 28 -0.089 8.567 1.511
106 HH TYR 28 HH TYR 28 -2.116 8.847 -1.181
107 H TYR 29 H TYR 29 -0.210 1.976 1.141
108 HA TYR 29 HA TYR 29 -2.356 1.860 -0.853
109 1HB TYR 29 2HB TYR 29 -1.793 0.069 1.509
110 2HB TYR 29 1HB TYR 29 -3.221 -0.049 0.486
111 HD1 TYR 29 1HD TYR 29 -3.093 -1.011 -1.717
112 HD2 TYR 29 2HD TYR 29 0.430 -0.490 0.613
113 HE1 TYR 29 1HE TYR 29 -1.846 -2.428 -3.292
114 HE2 TYR 29 2HE TYR 29 1.685 -1.908 -0.957
115 HH TYR 29 HH TYR 29 1.266 -3.638 -2.607
116 H TYR 30 H TYR 30 -3.668 3.520 -0.524
117 HA TYR 30 HA TYR 30 -4.311 4.303 2.228
118 1HB TYR 30 2HB TYR 30 -3.553 6.185 0.995
119 2HB TYR 30 1HB TYR 30 -4.516 5.749 -0.414
120 HD1 TYR 30 1HD TYR 30 -6.263 7.187 -0.819
121 HD2 TYR 30 2HD TYR 30 -5.199 6.380 3.221
122 HE1 TYR 30 1HE TYR 30 -8.068 8.671 -0.051
123 HE2 TYR 30 2HE TYR 30 -7.000 7.861 3.999
124 HH TYR 30 HH TYR 30 -9.458 8.989 1.971
125 H ASN 31 H ASN 31 -5.965 3.146 2.941
126 HA ASN 31 HA ASN 31 -8.061 2.206 1.247
127 1HB ASN 31 2HB ASN 31 -7.205 1.133 3.433
128 2HB ASN 31 1HB ASN 31 -8.201 2.342 4.249
129 1HD2 ASN 31 1HD2 ASN 31 -10.470 2.445 3.547
130 2HD2 ASN 31 2HD2 ASN 31 -11.275 0.958 3.214
131 H THR 32 H THR 32 -9.554 3.515 0.468
132 HA THR 32 HA THR 32 -10.092 6.100 1.474
133 HB THR 32 HB THR 32 -12.150 5.888 -0.073
134 HG1 THR 32 1HG THR 32 -11.892 4.146 -1.594
135 1HG2 THR 32 1HG2 THR 32 -10.098 7.074 -0.689
136 2HG2 THR 32 2HG2 THR 32 -10.756 6.193 -2.068
137 3HG2 THR 32 3HG2 THR 32 -9.365 5.551 -1.194
138 H GLU 33 H GLU 33 -11.740 3.005 1.866
139 HA GLU 33 HA GLU 33 -14.087 3.992 3.044
140 1HB GLU 33 2HB GLU 33 -12.735 1.344 2.967
141 2HB GLU 33 1HB GLU 33 -14.082 1.580 4.071
142 1HG GLU 33 2HG GLU 33 -14.813 0.608 1.969
143 2HG GLU 33 1HG GLU 33 -15.515 2.204 2.218
144 H THR 34 H THR 34 -11.479 2.268 4.710
145 HA THR 34 HA THR 34 -12.380 3.258 7.242
146 HB THR 34 HB THR 34 -11.485 1.015 7.163
147 HG1 THR 34 1HG THR 34 -9.886 1.297 8.872
148 1HG2 THR 34 1HG2 THR 34 -8.930 2.354 6.285
149 2HG2 THR 34 2HG2 THR 34 -9.883 1.168 5.395
150 3HG2 THR 34 3HG2 THR 34 -9.024 0.688 6.857
151 H LYS 35 H LYS 35 -9.728 4.000 5.038
152 HA LYS 35 HA LYS 35 -8.640 6.022 4.799
153 1HB LYS 35 2HB LYS 35 -9.444 6.668 7.648
154 2HB LYS 35 1HB LYS 35 -8.641 7.750 6.520
155 1HG LYS 35 2HG LYS 35 -10.580 7.850 5.126
156 2HG LYS 35 1HG LYS 35 -11.384 6.596 6.071
157 1HD LYS 35 2HD LYS 35 -12.299 8.697 6.739
158 2HD LYS 35 1HD LYS 35 -11.259 8.131 8.049
159 1HE LYS 35 2HE LYS 35 -10.896 10.494 7.671
160 2HE LYS 35 1HE LYS 35 -9.456 9.586 7.213
161 1HZ LYS 35 1HZ LYS 35 -11.523 10.572 5.322
162 2HZ LYS 35 2HZ LYS 35 -10.099 9.759 4.906
163 3HZ LYS 35 3HZ LYS 35 -10.022 11.303 5.591
164 H GLN 36 H GLN 36 -7.459 3.811 5.020
165 HA GLN 36 HA GLN 36 -5.364 4.211 7.070
166 1HB GLN 36 2HB GLN 36 -6.722 2.136 7.360
167 2HB GLN 36 1HB GLN 36 -6.144 1.595 5.790
168 1HG GLN 36 2HG GLN 36 -4.913 0.582 7.651
169 2HG GLN 36 1HG GLN 36 -3.876 1.533 6.589
170 1HE2 GLN 36 1HE2 GLN 36 -2.993 3.455 7.339
171 2HE2 GLN 36 2HE2 GLN 36 -2.962 3.864 9.016
172 H SER 37 H SER 37 -3.839 5.275 6.025
173 HA SER 37 HA SER 37 -2.938 4.306 3.407
174 1HB SER 37 2HB SER 37 -1.729 6.469 3.248
175 2HB SER 37 1HB SER 37 -3.462 6.685 3.479
176 HG SER 37 HG SER 37 -2.606 8.023 4.944
177 H THR 38 H THR 38 -1.433 2.724 3.665
178 HA THR 38 HA THR 38 1.076 3.375 4.896
179 HB THR 38 HB THR 38 -0.119 2.719 6.915
180 HG1 THR 38 1HG THR 38 1.460 0.464 6.302
181 1HG2 THR 38 1HG2 THR 38 -1.852 1.330 5.857
182 2HG2 THR 38 2HG2 THR 38 -1.056 0.486 7.185
183 3HG2 THR 38 3HG2 THR 38 -0.641 0.094 5.516
184 H TRP 39 H TRP 39 2.597 1.419 4.777
185 HA TRP 39 HA TRP 39 2.071 0.052 2.230
186 1HB TRP 39 2HB TRP 39 4.693 -0.327 3.549
187 2HB TRP 39 1HB TRP 39 4.334 0.034 1.864
188 HD1 TRP 39 HD TRP 39 4.955 1.676 5.219
189 HE1 TRP 39 1HE TRP 39 5.666 4.129 4.832
190 HE3 TRP 39 3HE TRP 39 4.166 1.929 0.202
191 HZ2 TRP 39 2HZ TRP 39 5.876 5.904 2.655
192 HZ3 TRP 39 3HZ TRP 39 4.652 4.036 -0.969
193 HH2 TRP 39 HH TRP 39 5.490 5.985 0.238
194 H GLU 40 H GLU 40 0.943 -1.778 2.625
195 HA GLU 40 HA GLU 40 2.156 -3.907 4.085
196 1HB GLU 40 2HB GLU 40 0.674 -4.106 5.908
197 2HB GLU 40 1HB GLU 40 1.071 -2.392 5.851
198 1HG GLU 40 2HG GLU 40 -1.167 -2.236 6.125
199 2HG GLU 40 1HG GLU 40 -1.100 -2.292 4.364
200 H LYS 41 H LYS 41 0.929 -5.912 3.860
201 HA LYS 41 HA LYS 41 -0.283 -6.184 1.355
202 1HB LYS 41 2HB LYS 41 -0.923 -8.300 3.224
203 2HB LYS 41 1HB LYS 41 0.039 -8.352 1.765
204 1HG LYS 41 2HG LYS 41 1.915 -7.360 3.146
205 2HG LYS 41 1HG LYS 41 0.929 -7.757 4.555
206 1HD LYS 41 2HD LYS 41 1.926 -9.692 2.467
207 2HD LYS 41 1HD LYS 41 2.536 -9.528 4.113
208 1HE LYS 41 2HE LYS 41 0.298 -10.154 4.958
209 2HE LYS 41 1HE LYS 41 -0.229 -10.401 3.293
210 1HZ LYS 41 1HZ LYS 41 0.417 -12.478 4.373
211 2HZ LYS 41 2HZ LYS 41 1.979 -11.879 4.622
212 3HZ LYS 41 3HZ LYS 41 1.414 -12.136 3.049
213 HA PRO 42 HA PRO 42 -4.297 -4.838 2.953
214 1HB PRO 42 2HB PRO 42 -5.171 -4.477 0.235
215 2HB PRO 42 1HB PRO 42 -4.772 -3.246 1.433
216 1HG PRO 42 2HG PRO 42 -3.303 -3.732 -0.840
217 2HG PRO 42 1HG PRO 42 -2.671 -2.963 0.626
218 1HD PRO 42 2HD PRO 42 -2.395 -5.793 -0.304
219 2HD PRO 42 1HD PRO 42 -1.202 -4.745 0.496
Start of MODEL 3
1 H SER 15 H SER 15 -8.406 -3.031 -2.486
2 HA SER 15 HA SER 15 -10.536 -2.995 -4.434
3 1HB SER 15 2HB SER 15 -11.173 -4.975 -3.184
4 2HB SER 15 1HB SER 15 -10.996 -4.108 -1.658
5 HG SER 15 HG SER 15 -12.866 -3.155 -1.969
6 H MET 16 H MET 16 -10.633 -2.357 -0.944
7 HA MET 16 HA MET 16 -11.518 0.345 -1.453
8 1HB MET 16 2HB MET 16 -10.915 -1.001 1.188
9 2HB MET 16 1HB MET 16 -11.775 0.517 0.966
10 1HG MET 16 2HG MET 16 -13.461 -0.826 -0.386
11 2HG MET 16 1HG MET 16 -12.680 -2.256 0.285
12 1HE MET 16 1HE MET 16 -11.866 -0.900 3.194
13 2HE MET 16 2HE MET 16 -12.387 -2.573 2.994
14 3HE MET 16 3HE MET 16 -13.190 -1.533 4.170
15 H TRP 17 H TRP 17 -8.554 -1.063 -1.416
16 HA TRP 17 HA TRP 17 -7.225 1.249 -0.182
17 1HB TRP 17 2HB TRP 17 -5.999 -1.396 -0.979
18 2HB TRP 17 1HB TRP 17 -5.220 -0.110 -0.072
19 HD1 TRP 17 HD TRP 17 -8.272 -2.480 0.368
20 HE1 TRP 17 1HE TRP 17 -8.432 -3.064 2.869
21 HE3 TRP 17 3HE TRP 17 -4.440 0.393 2.097
22 HZ2 TRP 17 2HZ TRP 17 -7.100 -2.381 5.269
23 HZ3 TRP 17 3HZ TRP 17 -3.937 0.375 4.496
24 HH2 TRP 17 HH TRP 17 -5.238 -0.983 6.058
25 H THR 18 H THR 18 -5.965 2.597 -1.321
26 HA THR 18 HA THR 18 -5.828 2.146 -4.209
27 HB THR 18 HB THR 18 -5.350 4.594 -4.347
28 HG1 THR 18 1HG THR 18 -5.026 4.344 -1.741
29 1HG2 THR 18 1HG2 THR 18 -7.651 5.317 -3.852
30 2HG2 THR 18 2HG2 THR 18 -7.915 3.817 -2.962
31 3HG2 THR 18 3HG2 THR 18 -7.612 3.770 -4.699
32 H GLU 19 H GLU 19 -3.911 1.886 -5.187
33 HA GLU 19 HA GLU 19 -1.493 2.027 -3.535
34 1HB GLU 19 2HB GLU 19 -2.002 -0.135 -4.555
35 2HB GLU 19 1HB GLU 19 -2.023 0.603 -6.148
36 1HG GLU 19 2HG GLU 19 0.346 1.127 -5.944
37 2HG GLU 19 1HG GLU 19 0.370 0.410 -4.334
38 H HIS 20 H HIS 20 -0.431 3.904 -3.706
39 HA HIS 20 HA HIS 20 0.243 4.896 -6.382
40 1HB HIS 20 2HB HIS 20 -0.909 6.663 -4.213
41 2HB HIS 20 1HB HIS 20 -0.292 7.214 -5.767
42 HD1 HIS 20 1HD HIS 20 -1.730 6.579 -7.888
43 HD2 HIS 20 2HD HIS 20 -3.505 5.738 -4.223
44 HE1 HIS 20 1HE HIS 20 -4.162 6.185 -8.394
45 HE2 HIS 20 2HE HIS 20 -5.197 5.585 -6.176
46 H LYS 21 H LYS 21 2.264 5.790 -6.542
47 HA LYS 21 HA LYS 21 4.203 5.261 -4.639
48 1HB LYS 21 2HB LYS 21 4.197 7.281 -6.878
49 2HB LYS 21 1HB LYS 21 5.627 6.864 -5.942
50 1HG LYS 21 2HG LYS 21 5.914 4.916 -7.003
51 2HG LYS 21 1HG LYS 21 4.183 4.587 -7.056
52 1HD LYS 21 2HD LYS 21 3.934 6.152 -8.914
53 2HD LYS 21 1HD LYS 21 5.664 6.502 -8.856
54 1HE LYS 21 2HE LYS 21 5.145 4.913 -10.633
55 2HE LYS 21 1HE LYS 21 6.158 4.175 -9.393
56 1HZ LYS 21 1HZ LYS 21 3.218 3.845 -9.653
57 2HZ LYS 21 2HZ LYS 21 4.181 3.144 -8.452
58 3HZ LYS 21 3HZ LYS 21 4.384 2.691 -10.068
59 H SER 22 H SER 22 5.564 6.690 -3.439
60 HA SER 22 HA SER 22 5.004 9.355 -2.815
61 1HB SER 22 2HB SER 22 3.474 9.316 -1.143
62 2HB SER 22 1HB SER 22 3.052 7.728 -1.776
63 HG SER 22 HG SER 22 4.224 8.397 0.579
64 HA PRO 23 HA PRO 23 8.647 9.745 -0.158
65 1HB PRO 23 2HB PRO 23 7.212 8.391 2.087
66 2HB PRO 23 1HB PRO 23 8.281 9.797 2.124
67 1HG PRO 23 2HG PRO 23 5.486 9.859 2.031
68 2HG PRO 23 1HG PRO 23 6.570 11.219 1.698
69 1HD PRO 23 2HD PRO 23 4.845 9.978 -0.139
70 2HD PRO 23 1HD PRO 23 6.154 11.099 -0.536
71 H ASP 24 H ASP 24 10.417 8.540 0.037
72 HA ASP 24 HA ASP 24 11.826 6.766 0.172
73 1HB ASP 24 2HB ASP 24 10.225 5.941 1.974
74 2HB ASP 24 1HB ASP 24 9.469 4.962 0.720
75 H GLY 25 H GLY 25 9.588 7.354 -2.049
76 1HA GLY 25 2HA GLY 25 9.354 6.792 -4.260
77 2HA GLY 25 1HA GLY 25 10.906 5.979 -4.111
78 H ARG 26 H ARG 26 7.902 5.321 -2.411
79 HA ARG 26 HA ARG 26 7.614 2.825 -3.912
80 1HB ARG 26 2HB ARG 26 6.903 1.793 -1.632
81 2HB ARG 26 1HB ARG 26 8.609 1.916 -2.028
82 1HG ARG 26 2HG ARG 26 8.648 4.052 -0.724
83 2HG ARG 26 1HG ARG 26 7.028 3.650 -0.166
84 1HD ARG 26 2HD ARG 26 9.493 1.959 0.201
85 2HD ARG 26 1HD ARG 26 8.721 2.946 1.439
86 HE ARG 26 HE ARG 26 6.859 1.125 0.344
87 1HH1 ARG 26 1HH1 ARG 26 9.623 1.265 2.465
88 2HH1 ARG 26 2HH1 ARG 26 9.147 -0.122 3.385
89 1HH2 ARG 26 1HH2 ARG 26 6.227 -0.701 1.553
90 2HH2 ARG 26 2HH2 ARG 26 7.218 -1.240 2.868
91 H THR 27 H THR 27 5.405 1.832 -3.468
92 HA THR 27 HA THR 27 3.492 4.053 -3.456
93 HB THR 27 HB THR 27 3.457 2.769 -5.504
94 HG1 THR 27 1HG THR 27 1.330 2.784 -5.539
95 1HG2 THR 27 1HG2 THR 27 4.350 0.657 -4.662
96 2HG2 THR 27 2HG2 THR 27 2.835 0.394 -5.524
97 3HG2 THR 27 3HG2 THR 27 2.861 0.374 -3.761
98 H TYR 28 H TYR 28 1.904 4.202 -2.002
99 HA TYR 28 HA TYR 28 1.802 2.154 0.093
100 1HB TYR 28 2HB TYR 28 0.832 3.863 1.526
101 2HB TYR 28 1HB TYR 28 2.325 4.464 0.821
102 HD1 TYR 28 1HD TYR 28 2.329 6.358 -0.637
103 HD2 TYR 28 2HD TYR 28 -1.355 4.718 0.717
104 HE1 TYR 28 1HE TYR 28 1.141 8.342 -1.471
105 HE2 TYR 28 2HE TYR 28 -2.548 6.699 -0.117
106 HH TYR 28 HH TYR 28 -1.145 8.949 -2.203
107 H TYR 29 H TYR 29 -0.289 1.839 1.136
108 HA TYR 29 HA TYR 29 -2.442 1.713 -0.854
109 1HB TYR 29 2HB TYR 29 -1.927 -0.006 1.576
110 2HB TYR 29 1HB TYR 29 -3.316 -0.154 0.512
111 HD1 TYR 29 1HD TYR 29 0.254 -0.794 0.904
112 HD2 TYR 29 2HD TYR 29 -3.054 -1.049 -1.761
113 HE1 TYR 29 1HE TYR 29 1.542 -2.309 -0.541
114 HE2 TYR 29 2HE TYR 29 -1.774 -2.566 -3.212
115 HH TYR 29 HH TYR 29 1.138 -4.026 -2.237
116 H TYR 30 H TYR 30 -3.872 3.295 -0.541
117 HA TYR 30 HA TYR 30 -4.415 4.181 2.200
118 1HB TYR 30 2HB TYR 30 -3.806 6.058 0.940
119 2HB TYR 30 1HB TYR 30 -4.690 5.514 -0.481
120 HD1 TYR 30 1HD TYR 30 -5.357 6.496 3.071
121 HD2 TYR 30 2HD TYR 30 -6.672 6.586 -0.974
122 HE1 TYR 30 1HE TYR 30 -7.259 7.909 3.727
123 HE2 TYR 30 2HE TYR 30 -8.579 7.999 -0.329
124 HH TYR 30 HH TYR 30 -9.902 8.496 1.692
125 H ASN 31 H ASN 31 -6.039 3.125 3.076
126 HA ASN 31 HA ASN 31 -8.160 1.949 1.566
127 1HB ASN 31 2HB ASN 31 -7.175 1.215 3.869
128 2HB ASN 31 1HB ASN 31 -8.243 2.443 4.537
129 1HD2 ASN 31 1HD2 ASN 31 -10.231 1.922 2.392
130 2HD2 ASN 31 2HD2 ASN 31 -11.025 0.465 2.861
131 H THR 32 H THR 32 -9.450 3.359 0.533
132 HA THR 32 HA THR 32 -10.031 5.970 1.243
133 HB THR 32 HB THR 32 -12.030 5.759 -0.243
134 HG1 THR 32 1HG THR 32 -12.616 3.621 0.097
135 1HG2 THR 32 1HG2 THR 32 -9.437 4.612 -1.287
136 2HG2 THR 32 2HG2 THR 32 -9.861 6.322 -1.186
137 3HG2 THR 32 3HG2 THR 32 -10.739 5.260 -2.287
138 H GLU 33 H GLU 33 -12.023 3.069 1.876
139 HA GLU 33 HA GLU 33 -14.046 4.491 3.247
140 1HB GLU 33 2HB GLU 33 -14.628 2.410 2.288
141 2HB GLU 33 1HB GLU 33 -13.302 1.589 3.096
142 1HG GLU 33 2HG GLU 33 -14.411 1.893 5.245
143 2HG GLU 33 1HG GLU 33 -15.723 2.761 4.453
144 H THR 34 H THR 34 -11.741 2.144 4.546
145 HA THR 34 HA THR 34 -12.196 2.758 7.240
146 HB THR 34 HB THR 34 -9.670 1.603 6.046
147 HG1 THR 34 1HG THR 34 -10.682 -0.339 6.154
148 1HG2 THR 34 1HG2 THR 34 -10.825 1.416 8.832
149 2HG2 THR 34 2HG2 THR 34 -9.388 2.324 8.362
150 3HG2 THR 34 3HG2 THR 34 -9.392 0.564 8.254
151 H LYS 35 H LYS 35 -9.854 4.033 4.944
152 HA LYS 35 HA LYS 35 -8.773 6.038 4.881
153 1HB LYS 35 2HB LYS 35 -9.776 6.470 7.712
154 2HB LYS 35 1HB LYS 35 -8.909 7.654 6.750
155 1HG LYS 35 2HG LYS 35 -10.880 7.251 5.063
156 2HG LYS 35 1HG LYS 35 -11.717 6.721 6.526
157 1HD LYS 35 2HD LYS 35 -10.896 8.898 7.570
158 2HD LYS 35 1HD LYS 35 -10.509 9.405 5.927
159 1HE LYS 35 2HE LYS 35 -12.845 9.031 5.272
160 2HE LYS 35 1HE LYS 35 -13.227 8.562 6.927
161 1HZ LYS 35 1HZ LYS 35 -12.571 10.782 7.654
162 2HZ LYS 35 2HZ LYS 35 -13.827 10.855 6.523
163 3HZ LYS 35 3HZ LYS 35 -12.245 11.226 6.054
164 H GLN 36 H GLN 36 -7.569 3.801 5.118
165 HA GLN 36 HA GLN 36 -5.471 4.296 7.143
166 1HB GLN 36 2HB GLN 36 -7.073 2.069 6.950
167 2HB GLN 36 1HB GLN 36 -5.586 1.556 6.176
168 1HG GLN 36 2HG GLN 36 -5.702 2.820 8.902
169 2HG GLN 36 1HG GLN 36 -5.747 1.080 8.627
170 1HE2 GLN 36 1HE2 GLN 36 -3.805 3.963 8.460
171 2HE2 GLN 36 2HE2 GLN 36 -2.279 3.167 8.308
172 H SER 37 H SER 37 -3.989 5.264 6.050
173 HA SER 37 HA SER 37 -3.096 4.195 3.468
174 1HB SER 37 2HB SER 37 -3.632 6.565 3.420
175 2HB SER 37 1HB SER 37 -2.556 6.867 4.783
176 HG SER 37 HG SER 37 -1.936 6.944 2.252
177 H THR 38 H THR 38 -1.492 2.714 3.677
178 HA THR 38 HA THR 38 0.964 3.436 4.967
179 HB THR 38 HB THR 38 -0.316 2.756 6.953
180 HG1 THR 38 1HG THR 38 1.663 2.159 7.444
181 1HG2 THR 38 1HG2 THR 38 -1.857 1.190 5.860
182 2HG2 THR 38 2HG2 THR 38 -1.036 0.437 7.227
183 3HG2 THR 38 3HG2 THR 38 -0.521 0.074 5.580
184 H TRP 39 H TRP 39 2.556 1.536 4.914
185 HA TRP 39 HA TRP 39 2.116 0.087 2.394
186 1HB TRP 39 2HB TRP 39 4.729 -0.120 3.787
187 2HB TRP 39 1HB TRP 39 4.394 0.097 2.074
188 HD1 TRP 39 HD TRP 39 4.934 2.006 5.294
189 HE1 TRP 39 1HE TRP 39 5.546 4.451 4.724
190 HE3 TRP 39 3HE TRP 39 4.104 1.866 0.281
191 HZ2 TRP 39 2HZ TRP 39 5.674 6.071 2.420
192 HZ3 TRP 39 3HZ TRP 39 4.501 3.900 -1.040
193 HH2 TRP 39 HH TRP 39 5.268 5.956 0.007
194 H GLU 40 H GLU 40 0.989 -1.746 2.901
195 HA GLU 40 HA GLU 40 2.343 -3.830 4.298
196 1HB GLU 40 2HB GLU 40 1.195 -3.957 6.276
197 2HB GLU 40 1HB GLU 40 1.109 -2.218 6.033
198 1HG GLU 40 2HG GLU 40 -1.123 -2.471 5.060
199 2HG GLU 40 1HG GLU 40 -1.038 -4.209 5.339
200 H LYS 41 H LYS 41 0.993 -5.850 4.329
201 HA LYS 41 HA LYS 41 -0.263 -6.246 1.846
202 1HB LYS 41 2HB LYS 41 -0.873 -8.245 3.858
203 2HB LYS 41 1HB LYS 41 0.024 -8.398 2.366
204 1HG LYS 41 2HG LYS 41 1.990 -7.403 3.590
205 2HG LYS 41 1HG LYS 41 1.055 -7.638 5.069
206 1HD LYS 41 2HD LYS 41 1.703 -9.837 3.113
207 2HD LYS 41 1HD LYS 41 2.650 -9.487 4.560
208 1HE LYS 41 2HE LYS 41 -0.277 -10.218 4.515
209 2HE LYS 41 1HE LYS 41 1.043 -11.318 4.911
210 1HZ LYS 41 1HZ LYS 41 -0.026 -10.418 6.894
211 2HZ LYS 41 2HZ LYS 41 0.370 -8.845 6.414
212 3HZ LYS 41 3HZ LYS 41 1.596 -9.944 6.805
213 HA PRO 42 HA PRO 42 -4.220 -4.844 3.541
214 1HB PRO 42 2HB PRO 42 -5.190 -4.282 0.937
215 2HB PRO 42 1HB PRO 42 -4.536 -3.135 2.104
216 1HG PRO 42 2HG PRO 42 -3.372 -3.838 -0.332
217 2HG PRO 42 1HG PRO 42 -2.565 -2.998 1.002
218 1HD PRO 42 2HD PRO 42 -2.465 -5.879 0.234
219 2HD PRO 42 1HD PRO 42 -1.199 -4.849 0.936
Start of MODEL 4
1 H SER 15 H SER 15 -8.391 -3.118 -2.647
2 HA SER 15 HA SER 15 -10.404 -2.993 -4.716
3 1HB SER 15 2HB SER 15 -10.925 -4.462 -2.121
4 2HB SER 15 1HB SER 15 -12.179 -3.980 -3.264
5 HG SER 15 HG SER 15 -11.731 -5.717 -4.336
6 H MET 16 H MET 16 -10.283 -2.711 -1.170
7 HA MET 16 HA MET 16 -11.562 -0.102 -1.327
8 1HB MET 16 2HB MET 16 -10.759 -1.810 1.037
9 2HB MET 16 1HB MET 16 -11.585 -0.263 1.164
10 1HG MET 16 2HG MET 16 -13.539 -1.114 0.154
11 2HG MET 16 1HG MET 16 -12.717 -2.582 -0.369
12 1HE MET 16 1HE MET 16 -12.345 -0.800 3.076
13 2HE MET 16 2HE MET 16 -13.512 -1.653 4.083
14 3HE MET 16 3HE MET 16 -14.074 -0.587 2.796
15 H TRP 17 H TRP 17 -8.492 -1.203 -1.593
16 HA TRP 17 HA TRP 17 -7.335 1.136 -0.228
17 1HB TRP 17 2HB TRP 17 -5.845 -1.358 -1.047
18 2HB TRP 17 1HB TRP 17 -5.269 -0.054 -0.018
19 HD1 TRP 17 HD TRP 17 -8.110 -2.711 0.084
20 HE1 TRP 17 1HE TRP 17 -8.352 -3.474 2.526
21 HE3 TRP 17 3HE TRP 17 -4.624 0.334 2.212
22 HZ2 TRP 17 2HZ TRP 17 -7.216 -2.846 5.041
23 HZ3 TRP 17 3HZ TRP 17 -4.254 0.196 4.632
24 HH2 TRP 17 HH TRP 17 -5.520 -1.363 6.025
25 H THR 18 H THR 18 -6.207 2.595 -1.354
26 HA THR 18 HA THR 18 -5.910 2.144 -4.235
27 HB THR 18 HB THR 18 -5.673 4.626 -4.370
28 HG1 THR 18 1HG THR 18 -6.655 4.730 -1.719
29 1HG2 THR 18 1HG2 THR 18 -8.207 3.653 -3.049
30 2HG2 THR 18 2HG2 THR 18 -7.842 3.561 -4.772
31 3HG2 THR 18 3HG2 THR 18 -8.041 5.132 -3.994
32 H GLU 19 H GLU 19 -3.879 1.978 -5.079
33 HA GLU 19 HA GLU 19 -1.655 2.497 -3.252
34 1HB GLU 19 2HB GLU 19 -0.508 0.778 -4.212
35 2HB GLU 19 1HB GLU 19 -2.142 0.227 -4.525
36 1HG GLU 19 2HG GLU 19 -2.009 1.135 -6.792
37 2HG GLU 19 1HG GLU 19 -0.364 1.677 -6.467
38 H HIS 20 H HIS 20 -0.287 4.109 -3.569
39 HA HIS 20 HA HIS 20 0.154 5.176 -6.250
40 1HB HIS 20 2HB HIS 20 -0.896 6.876 -3.981
41 2HB HIS 20 1HB HIS 20 -0.258 7.510 -5.494
42 HD1 HIS 20 1HD HIS 20 -1.718 7.128 -7.637
43 HD2 HIS 20 2HD HIS 20 -3.501 5.937 -4.075
44 HE1 HIS 20 1HE HIS 20 -4.153 6.811 -8.177
45 HE2 HIS 20 2HE HIS 20 -5.226 6.170 -5.989
46 H LYS 21 H LYS 21 2.229 5.770 -6.537
47 HA LYS 21 HA LYS 21 4.228 5.325 -4.728
48 1HB LYS 21 2HB LYS 21 4.236 7.383 -6.939
49 2HB LYS 21 1HB LYS 21 5.662 6.706 -6.160
50 1HG LYS 21 2HG LYS 21 5.672 5.146 -7.728
51 2HG LYS 21 1HG LYS 21 4.199 4.514 -6.988
52 1HD LYS 21 2HD LYS 21 2.830 5.853 -8.452
53 2HD LYS 21 1HD LYS 21 4.259 6.643 -9.122
54 1HE LYS 21 2HE LYS 21 3.590 3.710 -9.348
55 2HE LYS 21 1HE LYS 21 3.399 4.911 -10.623
56 1HZ LYS 21 1HZ LYS 21 5.790 5.280 -10.577
57 2HZ LYS 21 2HZ LYS 21 5.439 3.657 -10.902
58 3HZ LYS 21 3HZ LYS 21 5.968 4.115 -9.361
59 H SER 22 H SER 22 5.540 6.625 -3.456
60 HA SER 22 HA SER 22 5.055 9.367 -2.942
61 1HB SER 22 2HB SER 22 3.582 9.343 -1.225
62 2HB SER 22 1HB SER 22 3.182 7.715 -1.771
63 HG SER 22 HG SER 22 3.703 7.785 0.460
64 HA PRO 23 HA PRO 23 8.880 9.737 -0.628
65 1HB PRO 23 2HB PRO 23 7.768 8.876 1.962
66 2HB PRO 23 1HB PRO 23 8.613 10.365 1.539
67 1HG PRO 23 2HG PRO 23 5.774 9.907 1.735
68 2HG PRO 23 1HG PRO 23 6.625 11.426 1.409
69 1HD PRO 23 2HD PRO 23 5.038 10.143 -0.415
70 2HD PRO 23 1HD PRO 23 6.376 11.210 -0.864
71 H ASP 24 H ASP 24 10.572 8.432 -0.057
72 HA ASP 24 HA ASP 24 11.775 6.543 0.346
73 1HB ASP 24 2HB ASP 24 9.109 5.232 0.941
74 2HB ASP 24 1HB ASP 24 10.683 4.511 1.234
75 H GLY 25 H GLY 25 9.737 7.154 -2.073
76 1HA GLY 25 2HA GLY 25 9.547 6.446 -4.239
77 2HA GLY 25 1HA GLY 25 11.060 5.587 -3.971
78 H ARG 26 H ARG 26 7.764 5.303 -2.730
79 HA ARG 26 HA ARG 26 7.474 2.702 -3.958
80 1HB ARG 26 2HB ARG 26 6.709 1.882 -1.560
81 2HB ARG 26 1HB ARG 26 8.371 1.725 -2.102
82 1HG ARG 26 2HG ARG 26 8.639 4.067 -0.979
83 2HG ARG 26 1HG ARG 26 7.190 3.580 -0.099
84 1HD ARG 26 2HD ARG 26 9.076 2.928 1.196
85 2HD ARG 26 1HD ARG 26 8.363 1.469 0.518
86 HE ARG 26 HE ARG 26 10.191 1.793 -1.266
87 1HH1 ARG 26 1HH1 ARG 26 10.518 2.566 2.117
88 2HH1 ARG 26 2HH1 ARG 26 12.231 2.309 2.142
89 1HH2 ARG 26 1HH2 ARG 26 12.445 1.454 -1.241
90 2HH2 ARG 26 2HH2 ARG 26 13.326 1.680 0.232
91 H THR 27 H THR 27 5.267 1.779 -3.413
92 HA THR 27 HA THR 27 3.379 4.025 -3.492
93 HB THR 27 HB THR 27 3.293 2.609 -5.468
94 HG1 THR 27 1HG THR 27 0.967 1.674 -4.445
95 1HG2 THR 27 1HG2 THR 27 4.151 0.530 -4.508
96 2HG2 THR 27 2HG2 THR 27 2.613 0.251 -5.326
97 3HG2 THR 27 3HG2 THR 27 2.671 0.341 -3.566
98 H TYR 28 H TYR 28 1.891 4.294 -1.943
99 HA TYR 28 HA TYR 28 1.767 2.268 0.171
100 1HB TYR 28 2HB TYR 28 0.955 4.008 1.646
101 2HB TYR 28 1HB TYR 28 2.420 4.570 0.854
102 HD1 TYR 28 1HD TYR 28 2.425 6.587 -0.343
103 HD2 TYR 28 2HD TYR 28 -1.290 4.818 0.735
104 HE1 TYR 28 1HE TYR 28 1.248 8.617 -1.079
105 HE2 TYR 28 2HE TYR 28 -2.475 6.842 0.002
106 HH TYR 28 HH TYR 28 -1.996 9.235 -0.328
107 H TYR 29 H TYR 29 -0.274 1.845 1.172
108 HA TYR 29 HA TYR 29 -2.449 1.866 -0.794
109 1HB TYR 29 2HB TYR 29 -1.886 0.037 1.541
110 2HB TYR 29 1HB TYR 29 -3.340 -0.040 0.557
111 HD1 TYR 29 1HD TYR 29 0.188 -0.842 0.761
112 HD2 TYR 29 2HD TYR 29 -3.173 -0.686 -1.842
113 HE1 TYR 29 1HE TYR 29 1.383 -2.254 -0.859
114 HE2 TYR 29 2HE TYR 29 -1.990 -2.101 -3.467
115 HH TYR 29 HH TYR 29 0.346 -2.669 -4.050
116 H TYR 30 H TYR 30 -3.897 3.383 -0.445
117 HA TYR 30 HA TYR 30 -4.466 4.221 2.305
118 1HB TYR 30 2HB TYR 30 -3.862 6.116 1.053
119 2HB TYR 30 1HB TYR 30 -4.750 5.577 -0.367
120 HD1 TYR 30 1HD TYR 30 -6.847 6.474 -0.803
121 HD2 TYR 30 2HD TYR 30 -5.303 6.692 3.155
122 HE1 TYR 30 1HE TYR 30 -8.764 7.863 -0.138
123 HE2 TYR 30 2HE TYR 30 -7.216 8.081 3.831
124 HH TYR 30 HH TYR 30 -8.868 9.574 2.788
125 H ASN 31 H ASN 31 -6.044 2.991 3.104
126 HA ASN 31 HA ASN 31 -8.126 1.826 1.580
127 1HB ASN 31 2HB ASN 31 -7.184 1.185 3.944
128 2HB ASN 31 1HB ASN 31 -8.338 2.372 4.540
129 1HD2 ASN 31 1HD2 ASN 31 -10.177 1.668 2.277
130 2HD2 ASN 31 2HD2 ASN 31 -10.925 0.194 2.766
131 H THR 32 H THR 32 -9.548 3.079 0.542
132 HA THR 32 HA THR 32 -10.131 5.745 1.141
133 HB THR 32 HB THR 32 -12.004 5.542 -0.432
134 HG1 THR 32 1HG THR 32 -12.865 3.651 -0.854
135 1HG2 THR 32 1HG2 THR 32 -9.729 5.806 -1.306
136 2HG2 THR 32 2HG2 THR 32 -10.720 4.829 -2.388
137 3HG2 THR 32 3HG2 THR 32 -9.536 4.053 -1.337
138 H GLU 33 H GLU 33 -11.987 2.806 1.918
139 HA GLU 33 HA GLU 33 -14.117 4.245 3.139
140 1HB GLU 33 2HB GLU 33 -14.637 2.134 2.214
141 2HB GLU 33 1HB GLU 33 -13.323 1.353 3.080
142 1HG GLU 33 2HG GLU 33 -15.452 0.757 4.056
143 2HG GLU 33 1HG GLU 33 -14.510 1.719 5.194
144 H THR 34 H THR 34 -11.516 2.243 4.459
145 HA THR 34 HA THR 34 -12.188 2.876 7.170
146 HB THR 34 HB THR 34 -9.652 1.607 6.129
147 HG1 THR 34 1HG THR 34 -10.846 -0.351 6.801
148 1HG2 THR 34 1HG2 THR 34 -9.483 2.429 8.435
149 2HG2 THR 34 2HG2 THR 34 -9.484 0.666 8.384
150 3HG2 THR 34 3HG2 THR 34 -10.942 1.535 8.862
151 H LYS 35 H LYS 35 -9.833 4.040 4.848
152 HA LYS 35 HA LYS 35 -8.712 6.024 4.736
153 1HB LYS 35 2HB LYS 35 -9.651 6.519 7.578
154 2HB LYS 35 1HB LYS 35 -8.796 7.671 6.564
155 1HG LYS 35 2HG LYS 35 -10.686 7.631 4.978
156 2HG LYS 35 1HG LYS 35 -11.550 6.556 6.079
157 1HD LYS 35 2HD LYS 35 -10.534 9.280 6.869
158 2HD LYS 35 1HD LYS 35 -12.162 8.989 6.251
159 1HE LYS 35 2HE LYS 35 -12.603 7.462 8.098
160 2HE LYS 35 1HE LYS 35 -10.964 7.703 8.703
161 1HZ LYS 35 1HZ LYS 35 -13.042 9.813 8.472
162 2HZ LYS 35 2HZ LYS 35 -11.477 10.031 9.073
163 3HZ LYS 35 3HZ LYS 35 -12.573 9.050 9.907
164 H GLN 36 H GLN 36 -7.569 3.746 4.999
165 HA GLN 36 HA GLN 36 -5.497 4.137 7.074
166 1HB GLN 36 2HB GLN 36 -6.861 2.082 7.311
167 2HB GLN 36 1HB GLN 36 -6.279 1.544 5.745
168 1HG GLN 36 2HG GLN 36 -5.059 0.475 7.551
169 2HG GLN 36 1HG GLN 36 -3.998 1.505 6.590
170 1HE2 GLN 36 1HE2 GLN 36 -3.191 3.401 7.487
171 2HE2 GLN 36 2HE2 GLN 36 -3.223 3.702 9.187
172 H SER 37 H SER 37 -3.972 5.208 6.085
173 HA SER 37 HA SER 37 -2.986 4.268 3.484
174 1HB SER 37 2HB SER 37 -3.553 6.636 3.544
175 2HB SER 37 1HB SER 37 -2.498 6.879 4.937
176 HG SER 37 HG SER 37 -1.312 5.720 2.726
177 H THR 38 H THR 38 -1.400 2.754 3.721
178 HA THR 38 HA THR 38 1.021 3.452 5.096
179 HB THR 38 HB THR 38 -0.220 2.741 7.052
180 HG1 THR 38 1HG THR 38 1.266 1.247 7.760
181 1HG2 THR 38 1HG2 THR 38 -0.688 0.158 5.557
182 2HG2 THR 38 2HG2 THR 38 -1.912 1.362 5.959
183 3HG2 THR 38 3HG2 THR 38 -1.109 0.459 7.243
184 H TRP 39 H TRP 39 2.620 1.560 5.039
185 HA TRP 39 HA TRP 39 2.273 0.183 2.465
186 1HB TRP 39 2HB TRP 39 4.831 0.019 3.993
187 2HB TRP 39 1HB TRP 39 4.579 0.123 2.257
188 HD1 TRP 39 HD TRP 39 5.061 2.213 5.360
189 HE1 TRP 39 1HE TRP 39 5.653 4.629 4.652
190 HE3 TRP 39 3HE TRP 39 4.183 1.814 0.358
191 HZ2 TRP 39 2HZ TRP 39 5.727 6.135 2.283
192 HZ3 TRP 39 3HZ TRP 39 4.545 3.787 -1.062
193 HH2 TRP 39 HH TRP 39 5.302 5.902 -0.121
194 H GLU 40 H GLU 40 1.169 -1.697 2.873
195 HA GLU 40 HA GLU 40 2.517 -3.791 4.241
196 1HB GLU 40 2HB GLU 40 1.349 -3.988 6.192
197 2HB GLU 40 1HB GLU 40 1.188 -2.249 5.986
198 1HG GLU 40 2HG GLU 40 -1.010 -2.576 4.968
199 2HG GLU 40 1HG GLU 40 -0.854 -4.316 5.199
200 H LYS 41 H LYS 41 1.312 -5.841 4.075
201 HA LYS 41 HA LYS 41 0.075 -6.137 1.572
202 1HB LYS 41 2HB LYS 41 -0.550 -8.406 2.908
203 2HB LYS 41 1HB LYS 41 0.991 -8.129 2.126
204 1HG LYS 41 2HG LYS 41 2.054 -7.697 4.138
205 2HG LYS 41 1HG LYS 41 0.540 -7.338 4.966
206 1HD LYS 41 2HD LYS 41 1.518 -9.517 5.631
207 2HD LYS 41 1HD LYS 41 -0.091 -9.668 4.926
208 1HE LYS 41 2HE LYS 41 0.752 -10.516 2.908
209 2HE LYS 41 1HE LYS 41 2.390 -9.977 3.269
210 1HZ LYS 41 1HZ LYS 41 2.179 -12.358 3.555
211 2HZ LYS 41 2HZ LYS 41 0.924 -12.147 4.669
212 3HZ LYS 41 3HZ LYS 41 2.486 -11.623 5.049
213 HA PRO 42 HA PRO 42 -3.946 -4.986 3.302
214 1HB PRO 42 2HB PRO 42 -4.935 -4.298 0.749
215 2HB PRO 42 1HB PRO 42 -4.289 -3.201 1.967
216 1HG PRO 42 2HG PRO 42 -3.144 -3.792 -0.524
217 2HG PRO 42 1HG PRO 42 -2.368 -2.931 0.812
218 1HD PRO 42 2HD PRO 42 -2.084 -5.767 -0.032
219 2HD PRO 42 1HD PRO 42 -0.906 -4.694 0.751
Start of MODEL 5
1 H SER 15 H SER 15 -9.102 -3.097 -2.548
2 HA SER 15 HA SER 15 -10.897 -2.288 -4.647
3 1HB SER 15 2HB SER 15 -11.907 -3.918 -2.309
4 2HB SER 15 1HB SER 15 -12.950 -2.968 -3.366
5 HG SER 15 HG SER 15 -12.963 -4.928 -4.286
6 H MET 16 H MET 16 -10.794 -2.440 -1.085
7 HA MET 16 HA MET 16 -11.739 0.261 -0.829
8 1HB MET 16 2HB MET 16 -10.613 -1.637 1.237
9 2HB MET 16 1HB MET 16 -11.385 -0.100 1.590
10 1HG MET 16 2HG MET 16 -13.489 -0.883 0.834
11 2HG MET 16 1HG MET 16 -12.770 -2.344 0.157
12 1HE MET 16 1HE MET 16 -12.740 -1.566 4.710
13 2HE MET 16 2HE MET 16 -13.441 -0.403 3.588
14 3HE MET 16 3HE MET 16 -11.712 -0.743 3.536
15 H TRP 17 H TRP 17 -8.684 -1.237 -1.198
16 HA TRP 17 HA TRP 17 -7.293 1.135 -0.158
17 1HB TRP 17 2HB TRP 17 -6.033 -1.501 -0.908
18 2HB TRP 17 1HB TRP 17 -5.317 -0.194 0.022
19 HD1 TRP 17 HD TRP 17 -8.271 -2.694 0.392
20 HE1 TRP 17 1HE TRP 17 -8.461 -3.286 2.887
21 HE3 TRP 17 3HE TRP 17 -4.607 0.340 2.204
22 HZ2 TRP 17 2HZ TRP 17 -7.217 -2.542 5.317
23 HZ3 TRP 17 3HZ TRP 17 -4.156 0.344 4.613
24 HH2 TRP 17 HH TRP 17 -5.432 -1.069 6.147
25 H THR 18 H THR 18 -6.094 2.415 -1.407
26 HA THR 18 HA THR 18 -5.973 1.737 -4.263
27 HB THR 18 HB THR 18 -7.266 3.796 -3.690
28 HG1 THR 18 1HG THR 18 -4.910 3.996 -5.264
29 1HG2 THR 18 1HG2 THR 18 -5.880 4.536 -1.788
30 2HG2 THR 18 2HG2 THR 18 -6.082 5.801 -2.998
31 3HG2 THR 18 3HG2 THR 18 -4.567 4.903 -2.907
32 H GLU 19 H GLU 19 -4.038 1.678 -5.274
33 HA GLU 19 HA GLU 19 -1.660 1.991 -3.587
34 1HB GLU 19 2HB GLU 19 -2.065 -0.218 -4.603
35 2HB GLU 19 1HB GLU 19 -2.000 0.512 -6.200
36 1HG GLU 19 2HG GLU 19 0.330 1.152 -5.801
37 2HG GLU 19 1HG GLU 19 0.259 0.382 -4.216
38 H HIS 20 H HIS 20 -0.482 3.766 -3.819
39 HA HIS 20 HA HIS 20 0.104 4.802 -6.487
40 1HB HIS 20 2HB HIS 20 -1.090 6.558 -4.329
41 2HB HIS 20 1HB HIS 20 -0.466 7.120 -5.874
42 HD1 HIS 20 1HD HIS 20 -1.803 5.921 -8.014
43 HD2 HIS 20 2HD HIS 20 -3.751 6.178 -4.351
44 HE1 HIS 20 1HE HIS 20 -4.251 5.674 -8.536
45 HE2 HIS 20 2HE HIS 20 -5.415 5.934 -6.317
46 H LYS 21 H LYS 21 2.051 6.002 -6.597
47 HA LYS 21 HA LYS 21 4.092 5.423 -4.877
48 1HB LYS 21 2HB LYS 21 3.810 7.978 -6.467
49 2HB LYS 21 1HB LYS 21 5.315 7.287 -5.870
50 1HG LYS 21 2HG LYS 21 5.474 6.311 -7.860
51 2HG LYS 21 1HG LYS 21 4.216 5.223 -7.267
52 1HD LYS 21 2HD LYS 21 2.496 6.640 -8.237
53 2HD LYS 21 1HD LYS 21 3.726 7.780 -8.788
54 1HE LYS 21 2HE LYS 21 3.437 4.909 -9.668
55 2HE LYS 21 1HE LYS 21 2.990 6.333 -10.609
56 1HZ LYS 21 1HZ LYS 21 5.133 5.493 -11.295
57 2HZ LYS 21 2HZ LYS 21 5.733 5.622 -9.719
58 3HZ LYS 21 3HZ LYS 21 5.319 7.016 -10.581
59 H SER 22 H SER 22 5.322 6.796 -3.425
60 HA SER 22 HA SER 22 4.285 9.093 -2.184
61 1HB SER 22 2HB SER 22 3.905 7.611 0.062
62 2HB SER 22 1HB SER 22 2.600 8.070 -1.032
63 HG SER 22 HG SER 22 4.031 5.750 -1.620
64 HA PRO 23 HA PRO 23 8.109 9.744 0.020
65 1HB PRO 23 2HB PRO 23 7.065 8.318 2.414
66 2HB PRO 23 1HB PRO 23 7.859 9.890 2.296
67 1HG PRO 23 2HG PRO 23 5.096 9.422 2.472
68 2HG PRO 23 1HG PRO 23 5.881 10.955 2.059
69 1HD PRO 23 2HD PRO 23 4.264 9.381 0.374
70 2HD PRO 23 1HD PRO 23 5.275 10.751 -0.115
71 H ASP 24 H ASP 24 10.016 8.662 0.423
72 HA ASP 24 HA ASP 24 11.524 6.969 0.526
73 1HB ASP 24 2HB ASP 24 9.136 5.213 1.144
74 2HB ASP 24 1HB ASP 24 10.819 4.721 1.278
75 H GLY 25 H GLY 25 9.560 7.591 -1.821
76 1HA GLY 25 2HA GLY 25 9.332 6.968 -4.020
77 2HA GLY 25 1HA GLY 25 10.920 6.237 -3.822
78 H ARG 26 H ARG 26 7.766 5.491 -2.430
79 HA ARG 26 HA ARG 26 7.694 2.962 -3.876
80 1HB ARG 26 2HB ARG 26 6.977 1.898 -1.600
81 2HB ARG 26 1HB ARG 26 8.683 2.076 -1.982
82 1HG ARG 26 2HG ARG 26 8.676 4.194 -0.684
83 2HG ARG 26 1HG ARG 26 7.038 3.812 -0.177
84 1HD ARG 26 2HD ARG 26 8.618 3.119 1.521
85 2HD ARG 26 1HD ARG 26 7.827 1.715 0.806
86 HE ARG 26 HE ARG 26 10.181 2.129 -0.604
87 1HH1 ARG 26 1HH1 ARG 26 9.220 1.344 2.652
88 2HH1 ARG 26 2HH1 ARG 26 10.653 0.430 2.992
89 1HH2 ARG 26 1HH2 ARG 26 12.069 0.927 -0.167
90 2HH2 ARG 26 2HH2 ARG 26 12.270 0.192 1.389
91 H THR 27 H THR 27 5.506 1.866 -3.477
92 HA THR 27 HA THR 27 3.514 4.015 -3.496
93 HB THR 27 HB THR 27 3.619 2.633 -5.528
94 HG1 THR 27 1HG THR 27 1.532 2.922 -5.643
95 1HG2 THR 27 1HG2 THR 27 2.947 0.302 -5.504
96 2HG2 THR 27 2HG2 THR 27 2.722 0.353 -3.756
97 3HG2 THR 27 3HG2 THR 27 4.339 0.523 -4.442
98 H TYR 28 H TYR 28 1.953 4.156 -2.025
99 HA TYR 28 HA TYR 28 1.831 2.051 0.008
100 1HB TYR 28 2HB TYR 28 0.797 3.735 1.481
101 2HB TYR 28 1HB TYR 28 2.384 4.225 0.925
102 HD1 TYR 28 1HD TYR 28 0.075 4.719 -1.728
103 HD2 TYR 28 2HD TYR 28 1.361 6.396 1.965
104 HE1 TYR 28 1HE TYR 28 -0.848 6.888 -2.400
105 HE2 TYR 28 2HE TYR 28 0.438 8.573 1.297
106 HH TYR 28 HH TYR 28 -1.638 8.951 -1.376
107 H TYR 29 H TYR 29 -0.260 1.730 1.058
108 HA TYR 29 HA TYR 29 -2.415 1.640 -0.933
109 1HB TYR 29 2HB TYR 29 -1.944 -0.073 1.513
110 2HB TYR 29 1HB TYR 29 -3.322 -0.213 0.432
111 HD1 TYR 29 1HD TYR 29 -2.948 -0.953 -1.937
112 HD2 TYR 29 2HD TYR 29 0.134 -1.078 0.993
113 HE1 TYR 29 1HE TYR 29 -1.673 -2.509 -3.352
114 HE2 TYR 29 2HE TYR 29 1.417 -2.634 -0.414
115 HH TYR 29 HH TYR 29 1.008 -4.252 -2.220
116 H TYR 30 H TYR 30 -3.786 3.271 -0.620
117 HA TYR 30 HA TYR 30 -4.281 4.179 2.119
118 1HB TYR 30 2HB TYR 30 -3.584 5.996 0.768
119 2HB TYR 30 1HB TYR 30 -4.629 5.514 -0.563
120 HD1 TYR 30 1HD TYR 30 -5.062 6.333 3.072
121 HD2 TYR 30 2HD TYR 30 -6.416 6.917 -0.919
122 HE1 TYR 30 1HE TYR 30 -6.797 7.869 3.891
123 HE2 TYR 30 2HE TYR 30 -8.155 8.454 -0.110
124 HH TYR 30 HH TYR 30 -8.172 9.719 3.036
125 H ASN 31 H ASN 31 -5.878 3.081 2.988
126 HA ASN 31 HA ASN 31 -8.070 1.978 1.551
127 1HB ASN 31 2HB ASN 31 -7.043 1.299 3.868
128 2HB ASN 31 1HB ASN 31 -8.119 2.540 4.506
129 1HD2 ASN 31 1HD2 ASN 31 -10.093 1.937 2.363
130 2HD2 ASN 31 2HD2 ASN 31 -10.886 0.500 2.885
131 H THR 32 H THR 32 -9.348 3.420 0.516
132 HA THR 32 HA THR 32 -9.863 6.044 1.406
133 HB THR 32 HB THR 32 -11.741 5.973 -0.292
134 HG1 THR 32 1HG THR 32 -11.079 3.907 -1.692
135 1HG2 THR 32 1HG2 THR 32 -9.518 6.808 -0.849
136 2HG2 THR 32 2HG2 THR 32 -10.199 5.911 -2.207
137 3HG2 THR 32 3HG2 THR 32 -8.972 5.165 -1.184
138 H GLU 33 H GLU 33 -11.428 3.026 2.166
139 HA GLU 33 HA GLU 33 -13.892 4.212 2.994
140 1HB GLU 33 2HB GLU 33 -13.832 1.939 2.176
141 2HB GLU 33 1HB GLU 33 -12.707 1.488 3.446
142 1HG GLU 33 2HG GLU 33 -15.473 2.515 4.023
143 2HG GLU 33 1HG GLU 33 -15.136 0.809 3.743
144 H THR 34 H THR 34 -11.227 2.674 4.756
145 HA THR 34 HA THR 34 -12.263 3.754 7.244
146 HB THR 34 HB THR 34 -11.383 1.404 7.115
147 HG1 THR 34 1HG THR 34 -11.452 2.908 9.070
148 1HG2 THR 34 1HG2 THR 34 -8.995 1.040 7.207
149 2HG2 THR 34 2HG2 THR 34 -8.694 2.775 7.109
150 3HG2 THR 34 3HG2 THR 34 -9.393 1.922 5.736
151 H LYS 35 H LYS 35 -9.623 4.279 5.031
152 HA LYS 35 HA LYS 35 -8.419 6.204 4.689
153 1HB LYS 35 2HB LYS 35 -9.163 7.057 7.500
154 2HB LYS 35 1HB LYS 35 -8.354 8.036 6.286
155 1HG LYS 35 2HG LYS 35 -10.322 8.095 4.926
156 2HG LYS 35 1HG LYS 35 -11.140 6.939 5.980
157 1HD LYS 35 2HD LYS 35 -10.882 8.620 7.837
158 2HD LYS 35 1HD LYS 35 -10.341 9.773 6.615
159 1HE LYS 35 2HE LYS 35 -12.709 10.065 7.063
160 2HE LYS 35 1HE LYS 35 -12.461 9.482 5.417
161 1HZ LYS 35 1HZ LYS 35 -13.240 7.801 7.740
162 2HZ LYS 35 2HZ LYS 35 -13.021 7.253 6.156
163 3HZ LYS 35 3HZ LYS 35 -14.281 8.323 6.513
164 H GLN 36 H GLN 36 -7.364 3.934 5.071
165 HA GLN 36 HA GLN 36 -5.212 4.388 7.049
166 1HB GLN 36 2HB GLN 36 -6.649 2.423 7.556
167 2HB GLN 36 1HB GLN 36 -6.185 1.728 6.010
168 1HG GLN 36 2HG GLN 36 -4.925 0.776 7.877
169 2HG GLN 36 1HG GLN 36 -3.883 1.589 6.711
170 1HE2 GLN 36 1HE2 GLN 36 -2.871 3.507 7.284
171 2HE2 GLN 36 2HE2 GLN 36 -2.743 4.029 8.925
172 H SER 37 H SER 37 -3.660 5.282 5.886
173 HA SER 37 HA SER 37 -2.872 4.051 3.345
174 1HB SER 37 2HB SER 37 -1.585 6.128 2.948
175 2HB SER 37 1HB SER 37 -3.294 6.455 3.231
176 HG SER 37 HG SER 37 -2.791 7.515 4.975
177 H THR 38 H THR 38 -1.285 2.561 3.499
178 HA THR 38 HA THR 38 1.194 3.188 4.796
179 HB THR 38 HB THR 38 -0.049 2.526 6.784
180 HG1 THR 38 1HG THR 38 1.629 1.414 7.463
181 1HG2 THR 38 1HG2 THR 38 -0.534 -0.083 5.340
182 2HG2 THR 38 2HG2 THR 38 -1.754 1.134 5.715
183 3HG2 THR 38 3HG2 THR 38 -0.951 0.260 7.020
184 H TRP 39 H TRP 39 2.740 1.248 4.682
185 HA TRP 39 HA TRP 39 2.225 -0.136 2.139
186 1HB TRP 39 2HB TRP 39 4.870 -0.489 3.392
187 2HB TRP 39 1HB TRP 39 4.468 -0.073 1.729
188 HD1 TRP 39 HD TRP 39 5.283 1.435 5.094
189 HE1 TRP 39 1HE TRP 39 5.932 3.915 4.765
190 HE3 TRP 39 3HE TRP 39 4.075 1.916 0.178
191 HZ2 TRP 39 2HZ TRP 39 5.923 5.801 2.674
192 HZ3 TRP 39 3HZ TRP 39 4.424 4.086 -0.923
193 HH2 TRP 39 HH TRP 39 5.330 5.992 0.304
194 H GLU 40 H GLU 40 1.095 -1.960 2.597
195 HA GLU 40 HA GLU 40 2.412 -4.112 3.900
196 1HB GLU 40 2HB GLU 40 1.360 -4.241 5.918
197 2HB GLU 40 1HB GLU 40 1.235 -2.500 5.703
198 1HG GLU 40 2HG GLU 40 -1.027 -2.804 4.778
199 2HG GLU 40 1HG GLU 40 -0.897 -4.535 5.092
200 H LYS 41 H LYS 41 1.099 -6.105 3.805
201 HA LYS 41 HA LYS 41 -0.294 -6.357 1.386
202 1HB LYS 41 2HB LYS 41 -0.975 -8.567 2.797
203 2HB LYS 41 1HB LYS 41 0.527 -8.398 1.913
204 1HG LYS 41 2HG LYS 41 1.742 -7.994 3.850
205 2HG LYS 41 1HG LYS 41 0.303 -7.549 4.767
206 1HD LYS 41 2HD LYS 41 0.940 -9.694 5.541
207 2HD LYS 41 1HD LYS 41 -0.457 -9.947 4.491
208 1HE LYS 41 2HE LYS 41 1.222 -11.619 4.025
209 2HE LYS 41 1HE LYS 41 1.074 -10.529 2.648
210 1HZ LYS 41 1HZ LYS 41 3.047 -9.362 3.397
211 2HZ LYS 41 2HZ LYS 41 3.387 -11.003 3.174
212 3HZ LYS 41 3HZ LYS 41 3.183 -10.389 4.735
213 HA PRO 42 HA PRO 42 -4.148 -4.978 3.319
214 1HB PRO 42 2HB PRO 42 -5.285 -4.381 0.804
215 2HB PRO 42 1HB PRO 42 -4.543 -3.249 1.935
216 1HG PRO 42 2HG PRO 42 -3.565 -3.978 -0.594
217 2HG PRO 42 1HG PRO 42 -2.703 -3.060 0.648
218 1HD PRO 42 2HD PRO 42 -2.466 -5.922 -0.093
219 2HD PRO 42 1HD PRO 42 -1.263 -4.833 0.620
Start of MODEL 6
1 H SER 15 H SER 15 -9.010 -2.888 -2.691
2 HA SER 15 HA SER 15 -10.686 -1.868 -4.787
3 1HB SER 15 2HB SER 15 -11.870 -3.545 -2.571
4 2HB SER 15 1HB SER 15 -12.822 -2.431 -3.553
5 HG SER 15 HG SER 15 -11.365 -4.697 -4.445
6 H MET 16 H MET 16 -10.897 -2.182 -1.241
7 HA MET 16 HA MET 16 -11.609 0.543 -0.861
8 1HB MET 16 2HB MET 16 -10.554 -1.495 1.108
9 2HB MET 16 1HB MET 16 -11.226 0.067 1.542
10 1HG MET 16 2HG MET 16 -13.386 -0.549 0.867
11 2HG MET 16 1HG MET 16 -12.795 -1.968 0.003
12 1HE MET 16 1HE MET 16 -12.855 -0.321 3.596
13 2HE MET 16 2HE MET 16 -11.264 -1.072 3.499
14 3HE MET 16 3HE MET 16 -12.477 -1.715 4.605
15 H TRP 17 H TRP 17 -8.616 -1.072 -1.285
16 HA TRP 17 HA TRP 17 -7.129 1.187 -0.145
17 1HB TRP 17 2HB TRP 17 -5.991 -1.457 -1.045
18 2HB TRP 17 1HB TRP 17 -5.202 -0.228 -0.069
19 HD1 TRP 17 HD TRP 17 -8.219 -2.656 0.220
20 HE1 TRP 17 1HE TRP 17 -8.422 -3.330 2.695
21 HE3 TRP 17 3HE TRP 17 -4.506 0.251 2.136
22 HZ2 TRP 17 2HZ TRP 17 -7.170 -2.690 5.151
23 HZ3 TRP 17 3HZ TRP 17 -4.061 0.168 4.545
24 HH2 TRP 17 HH TRP 17 -5.361 -1.275 6.030
25 H THR 18 H THR 18 -5.954 2.521 -1.357
26 HA THR 18 HA THR 18 -5.938 2.060 -4.249
27 HB THR 18 HB THR 18 -5.446 4.493 -4.418
28 HG1 THR 18 1HG THR 18 -6.254 5.233 -1.977
29 1HG2 THR 18 1HG2 THR 18 -7.929 3.778 -2.862
30 2HG2 THR 18 2HG2 THR 18 -7.743 3.726 -4.615
31 3HG2 THR 18 3HG2 THR 18 -7.691 5.272 -3.768
32 H GLU 19 H GLU 19 -4.050 1.739 -5.289
33 HA GLU 19 HA GLU 19 -1.593 1.860 -3.685
34 1HB GLU 19 2HB GLU 19 -2.127 -0.329 -4.588
35 2HB GLU 19 1HB GLU 19 -2.242 0.335 -6.211
36 1HG GLU 19 2HG GLU 19 0.171 0.948 -6.041
37 2HG GLU 19 1HG GLU 19 0.224 0.066 -4.515
38 H HIS 20 H HIS 20 -0.470 3.673 -3.950
39 HA HIS 20 HA HIS 20 0.247 4.525 -6.642
40 1HB HIS 20 2HB HIS 20 -0.914 6.533 -4.702
41 2HB HIS 20 1HB HIS 20 -0.424 6.819 -6.367
42 HD1 HIS 20 1HD HIS 20 -1.994 5.758 -8.232
43 HD2 HIS 20 2HD HIS 20 -3.498 5.687 -4.358
44 HE1 HIS 20 1HE HIS 20 -4.454 5.297 -8.475
45 HE2 HIS 20 2HE HIS 20 -5.348 5.278 -6.120
46 H LYS 21 H LYS 21 2.077 5.996 -6.671
47 HA LYS 21 HA LYS 21 4.133 5.378 -4.968
48 1HB LYS 21 2HB LYS 21 3.774 8.025 -6.383
49 2HB LYS 21 1HB LYS 21 5.296 7.316 -5.853
50 1HG LYS 21 2HG LYS 21 5.458 6.475 -7.900
51 2HG LYS 21 1HG LYS 21 4.194 5.347 -7.402
52 1HD LYS 21 2HD LYS 21 2.487 6.880 -8.246
53 2HD LYS 21 1HD LYS 21 3.745 8.012 -8.742
54 1HE LYS 21 2HE LYS 21 4.648 6.338 -10.279
55 2HE LYS 21 1HE LYS 21 3.399 5.199 -9.776
56 1HZ LYS 21 1HZ LYS 21 2.909 7.813 -11.101
57 2HZ LYS 21 2HZ LYS 21 1.723 6.695 -10.647
58 3HZ LYS 21 3HZ LYS 21 2.836 6.300 -11.858
59 H SER 22 H SER 22 5.256 6.633 -3.371
60 HA SER 22 HA SER 22 4.069 8.818 -2.021
61 1HB SER 22 2HB SER 22 3.374 6.075 -1.139
62 2HB SER 22 1HB SER 22 3.835 7.200 0.138
63 HG SER 22 HG SER 22 1.929 8.032 -0.056
64 HA PRO 23 HA PRO 23 7.797 9.725 0.231
65 1HB PRO 23 2HB PRO 23 6.652 8.006 2.419
66 2HB PRO 23 1HB PRO 23 7.593 9.500 2.557
67 1HG PRO 23 2HG PRO 23 4.898 9.493 2.677
68 2HG PRO 23 1HG PRO 23 5.809 10.836 1.965
69 1HD PRO 23 2HD PRO 23 4.055 8.918 0.654
70 2HD PRO 23 1HD PRO 23 4.785 10.393 -0.008
71 H ASP 24 H ASP 24 9.792 8.887 0.294
72 HA ASP 24 HA ASP 24 11.529 7.430 0.300
73 1HB ASP 24 2HB ASP 24 10.116 6.286 2.133
74 2HB ASP 24 1HB ASP 24 9.680 5.132 0.878
75 H GLY 25 H GLY 25 9.357 7.745 -1.925
76 1HA GLY 25 2HA GLY 25 9.170 7.136 -4.123
77 2HA GLY 25 1HA GLY 25 10.807 6.523 -3.968
78 H ARG 26 H ARG 26 7.726 5.513 -2.530
79 HA ARG 26 HA ARG 26 7.831 3.028 -4.040
80 1HB ARG 26 2HB ARG 26 7.163 1.866 -1.775
81 2HB ARG 26 1HB ARG 26 8.844 2.092 -2.211
82 1HG ARG 26 2HG ARG 26 8.382 4.368 -0.865
83 2HG ARG 26 1HG ARG 26 7.302 3.254 -0.026
84 1HD ARG 26 2HD ARG 26 10.272 3.051 -0.391
85 2HD ARG 26 1HD ARG 26 9.353 3.129 1.107
86 HE ARG 26 HE ARG 26 8.645 0.834 -0.400
87 1HH1 ARG 26 1HH1 ARG 26 11.129 2.132 1.668
88 2HH1 ARG 26 2HH1 ARG 26 11.668 0.578 2.215
89 1HH2 ARG 26 1HH2 ARG 26 9.350 -1.219 0.314
90 2HH2 ARG 26 2HH2 ARG 26 10.657 -1.325 1.445
91 H THR 27 H THR 27 5.710 1.738 -3.563
92 HA THR 27 HA THR 27 3.590 3.762 -3.729
93 HB THR 27 HB THR 27 3.777 2.294 -5.675
94 HG1 THR 27 1HG THR 27 1.639 2.129 -5.836
95 1HG2 THR 27 1HG2 THR 27 3.064 0.032 -3.801
96 2HG2 THR 27 2HG2 THR 27 4.660 0.298 -4.504
97 3HG2 THR 27 3HG2 THR 27 3.289 -0.078 -5.548
98 H TYR 28 H TYR 28 2.175 4.001 -2.195
99 HA TYR 28 HA TYR 28 1.990 1.981 -0.091
100 1HB TYR 28 2HB TYR 28 1.441 3.674 1.427
101 2HB TYR 28 1HB TYR 28 2.669 4.398 0.413
102 HD1 TYR 28 1HD TYR 28 0.812 5.903 2.193
103 HD2 TYR 28 2HD TYR 28 0.436 4.828 -1.907
104 HE1 TYR 28 1HE TYR 28 -0.641 7.846 1.818
105 HE2 TYR 28 2HE TYR 28 -1.022 6.765 -2.287
106 HH TYR 28 HH TYR 28 -1.360 9.281 -0.042
107 H TYR 29 H TYR 29 -0.125 1.833 1.012
108 HA TYR 29 HA TYR 29 -2.292 1.787 -0.970
109 1HB TYR 29 2HB TYR 29 -1.802 -0.016 1.402
110 2HB TYR 29 1HB TYR 29 -3.213 -0.099 0.352
111 HD1 TYR 29 1HD TYR 29 0.374 -0.755 0.633
112 HD2 TYR 29 2HD TYR 29 -3.019 -0.953 -1.927
113 HE1 TYR 29 1HE TYR 29 1.629 -2.201 -0.907
114 HE2 TYR 29 2HE TYR 29 -1.773 -2.406 -3.472
115 HH TYR 29 HH TYR 29 0.603 -2.881 -4.042
116 H TYR 30 H TYR 30 -3.685 3.366 -0.629
117 HA TYR 30 HA TYR 30 -4.141 4.297 2.113
118 1HB TYR 30 2HB TYR 30 -3.481 6.100 0.727
119 2HB TYR 30 1HB TYR 30 -4.538 5.587 -0.583
120 HD1 TYR 30 1HD TYR 30 -6.209 7.120 -0.961
121 HD2 TYR 30 2HD TYR 30 -5.062 6.318 3.057
122 HE1 TYR 30 1HE TYR 30 -7.950 8.661 -0.162
123 HE2 TYR 30 2HE TYR 30 -6.801 7.856 3.867
124 HH TYR 30 HH TYR 30 -9.278 9.035 1.893
125 H ASN 31 H ASN 31 -5.791 3.372 3.068
126 HA ASN 31 HA ASN 31 -7.962 2.161 1.644
127 1HB ASN 31 2HB ASN 31 -6.876 1.568 3.989
128 2HB ASN 31 1HB ASN 31 -8.063 2.725 4.583
129 1HD2 ASN 31 1HD2 ASN 31 -9.920 1.955 2.388
130 2HD2 ASN 31 2HD2 ASN 31 -10.611 0.460 2.897
131 H THR 32 H THR 32 -9.251 3.576 0.602
132 HA THR 32 HA THR 32 -9.854 6.183 1.558
133 HB THR 32 HB THR 32 -11.486 6.271 -0.291
134 HG1 THR 32 1HG THR 32 -11.731 3.774 -0.024
135 1HG2 THR 32 1HG2 THR 32 -8.792 5.107 -1.004
136 2HG2 THR 32 2HG2 THR 32 -9.172 6.812 -0.767
137 3HG2 THR 32 3HG2 THR 32 -9.866 5.935 -2.131
138 H GLU 33 H GLU 33 -11.303 3.090 2.154
139 HA GLU 33 HA GLU 33 -13.868 4.182 2.848
140 1HB GLU 33 2HB GLU 33 -13.842 1.992 1.909
141 2HB GLU 33 1HB GLU 33 -12.674 1.440 3.101
142 1HG GLU 33 2HG GLU 33 -14.296 1.533 4.844
143 2HG GLU 33 1HG GLU 33 -15.447 2.372 3.805
144 H THR 34 H THR 34 -11.120 2.836 4.626
145 HA THR 34 HA THR 34 -12.403 3.672 7.124
146 HB THR 34 HB THR 34 -11.461 1.323 6.885
147 HG1 THR 34 1HG THR 34 -11.612 2.914 8.926
148 1HG2 THR 34 1HG2 THR 34 -8.825 2.700 7.372
149 2HG2 THR 34 2HG2 THR 34 -9.331 2.110 5.792
150 3HG2 THR 34 3HG2 THR 34 -9.118 0.978 7.126
151 H LYS 35 H LYS 35 -9.684 4.356 5.073
152 HA LYS 35 HA LYS 35 -8.475 6.297 4.912
153 1HB LYS 35 2HB LYS 35 -9.373 6.949 7.733
154 2HB LYS 35 1HB LYS 35 -8.470 8.007 6.661
155 1HG LYS 35 2HG LYS 35 -10.390 8.001 5.101
156 2HG LYS 35 1HG LYS 35 -11.296 7.048 6.278
157 1HD LYS 35 2HD LYS 35 -11.099 8.833 7.912
158 2HD LYS 35 1HD LYS 35 -10.117 9.777 6.788
159 1HE LYS 35 2HE LYS 35 -12.400 10.589 6.783
160 2HE LYS 35 1HE LYS 35 -12.016 9.857 5.227
161 1HZ LYS 35 1HZ LYS 35 -13.158 7.843 5.947
162 2HZ LYS 35 2HZ LYS 35 -14.195 9.179 5.982
163 3HZ LYS 35 3HZ LYS 35 -13.550 8.573 7.423
164 H GLN 36 H GLN 36 -7.429 4.007 5.198
165 HA GLN 36 HA GLN 36 -5.309 4.375 7.227
166 1HB GLN 36 2HB GLN 36 -6.756 2.441 7.747
167 2HB GLN 36 1HB GLN 36 -6.381 1.758 6.172
168 1HG GLN 36 2HG GLN 36 -5.082 0.701 7.930
169 2HG GLN 36 1HG GLN 36 -4.044 1.552 6.788
170 1HE2 GLN 36 1HE2 GLN 36 -2.938 3.375 7.449
171 2HE2 GLN 36 2HE2 GLN 36 -2.775 3.812 9.113
172 H SER 37 H SER 37 -3.742 5.247 6.076
173 HA SER 37 HA SER 37 -2.982 4.037 3.518
174 1HB SER 37 2HB SER 37 -1.643 6.093 3.165
175 2HB SER 37 1HB SER 37 -3.348 6.447 3.436
176 HG SER 37 HG SER 37 -2.452 6.556 5.790
177 H THR 38 H THR 38 -1.533 2.420 3.785
178 HA THR 38 HA THR 38 0.978 2.999 5.104
179 HB THR 38 HB THR 38 -0.196 2.185 7.020
180 HG1 THR 38 1HG THR 38 0.840 -0.161 6.938
181 1HG2 THR 38 1HG2 THR 38 -1.142 -0.050 5.238
182 2HG2 THR 38 2HG2 THR 38 -2.125 1.190 6.016
183 3HG2 THR 38 3HG2 THR 38 -1.325 -0.043 6.991
184 H TRP 39 H TRP 39 2.506 1.094 4.855
185 HA TRP 39 HA TRP 39 2.045 -0.135 2.222
186 1HB TRP 39 2HB TRP 39 4.630 -0.475 3.677
187 2HB TRP 39 1HB TRP 39 4.347 -0.232 1.957
188 HD1 TRP 39 HD TRP 39 4.697 1.652 5.227
189 HE1 TRP 39 1HE TRP 39 5.380 4.087 4.719
190 HE3 TRP 39 3HE TRP 39 4.311 1.520 0.159
191 HZ2 TRP 39 2HZ TRP 39 5.720 5.712 2.436
192 HZ3 TRP 39 3HZ TRP 39 4.839 3.551 -1.122
193 HH2 TRP 39 HH TRP 39 5.530 5.605 -0.005
194 H GLU 40 H GLU 40 0.864 -1.963 2.587
195 HA GLU 40 HA GLU 40 2.050 -4.137 3.993
196 1HB GLU 40 2HB GLU 40 0.452 -4.364 5.782
197 2HB GLU 40 1HB GLU 40 1.129 -2.740 5.851
198 1HG GLU 40 2HG GLU 40 -0.813 -1.739 5.201
199 2HG GLU 40 1HG GLU 40 -1.416 -3.168 4.376
200 H LYS 41 H LYS 41 0.860 -6.110 3.718
201 HA LYS 41 HA LYS 41 -0.443 -6.377 1.280
202 1HB LYS 41 2HB LYS 41 -1.042 -8.427 3.299
203 2HB LYS 41 1HB LYS 41 -0.324 -8.579 1.712
204 1HG LYS 41 2HG LYS 41 1.805 -7.674 2.722
205 2HG LYS 41 1HG LYS 41 1.040 -7.933 4.291
206 1HD LYS 41 2HD LYS 41 1.374 -10.083 2.209
207 2HD LYS 41 1HD LYS 41 2.511 -9.805 3.530
208 1HE LYS 41 2HE LYS 41 -0.396 -10.573 3.758
209 2HE LYS 41 1HE LYS 41 1.003 -11.574 4.152
210 1HZ LYS 41 1HZ LYS 41 1.572 -9.967 5.898
211 2HZ LYS 41 2HZ LYS 41 0.054 -10.666 6.151
212 3HZ LYS 41 3HZ LYS 41 0.167 -9.090 5.550
213 HA PRO 42 HA PRO 42 -4.417 -4.939 2.914
214 1HB PRO 42 2HB PRO 42 -5.333 -4.565 0.220
215 2HB PRO 42 1HB PRO 42 -4.861 -3.338 1.394
216 1HG PRO 42 2HG PRO 42 -3.478 -3.930 -0.925
217 2HG PRO 42 1HG PRO 42 -2.805 -3.097 0.487
218 1HD PRO 42 2HD PRO 42 -2.519 -5.948 -0.350
219 2HD PRO 42 1HD PRO 42 -1.346 -4.878 0.444
Start of MODEL 7
1 H SER 15 H SER 15 -8.529 -3.080 -2.786
2 HA SER 15 HA SER 15 -10.199 -2.384 -5.002
3 1HB SER 15 2HB SER 15 -11.254 -4.229 -2.857
4 2HB SER 15 1HB SER 15 -12.305 -3.274 -3.904
5 HG SER 15 HG SER 15 -12.129 -5.041 -5.080
6 H MET 16 H MET 16 -10.410 -2.693 -1.459
7 HA MET 16 HA MET 16 -11.572 -0.073 -1.193
8 1HB MET 16 2HB MET 16 -10.541 -1.995 0.904
9 2HB MET 16 1HB MET 16 -11.451 -0.529 1.235
10 1HG MET 16 2HG MET 16 -13.391 -1.418 0.144
11 2HG MET 16 1HG MET 16 -12.490 -2.835 -0.391
12 1HE MET 16 1HE MET 16 -13.404 -1.971 4.055
13 2HE MET 16 2HE MET 16 -13.900 -0.900 2.746
14 3HE MET 16 3HE MET 16 -12.189 -1.096 3.126
15 H TRP 17 H TRP 17 -8.452 -1.239 -1.579
16 HA TRP 17 HA TRP 17 -7.286 1.077 -0.185
17 1HB TRP 17 2HB TRP 17 -5.897 -1.466 -1.044
18 2HB TRP 17 1HB TRP 17 -5.178 -0.140 -0.141
19 HD1 TRP 17 HD TRP 17 -8.081 -2.680 0.333
20 HE1 TRP 17 1HE TRP 17 -8.170 -3.274 2.834
21 HE3 TRP 17 3HE TRP 17 -4.394 0.405 2.006
22 HZ2 TRP 17 2HZ TRP 17 -6.847 -2.514 5.216
23 HZ3 TRP 17 3HZ TRP 17 -3.855 0.417 4.399
24 HH2 TRP 17 HH TRP 17 -5.054 -1.013 5.979
25 H THR 18 H THR 18 -6.213 2.583 -1.288
26 HA THR 18 HA THR 18 -5.860 2.166 -4.169
27 HB THR 18 HB THR 18 -5.753 4.683 -4.269
28 HG1 THR 18 1HG THR 18 -7.085 5.289 -2.091
29 1HG2 THR 18 1HG2 THR 18 -8.182 4.999 -4.052
30 2HG2 THR 18 2HG2 THR 18 -8.295 3.467 -3.186
31 3HG2 THR 18 3HG2 THR 18 -7.791 3.490 -4.876
32 H GLU 19 H GLU 19 -3.785 1.767 -4.739
33 HA GLU 19 HA GLU 19 -1.665 2.734 -2.996
34 1HB GLU 19 2HB GLU 19 -0.278 1.047 -3.899
35 2HB GLU 19 1HB GLU 19 -1.840 0.306 -3.609
36 1HG GLU 19 2HG GLU 19 -2.368 0.615 -6.014
37 2HG GLU 19 1HG GLU 19 -0.719 1.197 -6.251
38 H HIS 20 H HIS 20 -0.306 4.282 -3.527
39 HA HIS 20 HA HIS 20 0.215 4.947 -6.320
40 1HB HIS 20 2HB HIS 20 -0.686 7.066 -4.361
41 2HB HIS 20 1HB HIS 20 -0.296 7.290 -6.062
42 HD1 HIS 20 1HD HIS 20 -2.060 6.410 -7.795
43 HD2 HIS 20 2HD HIS 20 -3.259 6.195 -3.818
44 HE1 HIS 20 1HE HIS 20 -4.543 6.018 -7.861
45 HE2 HIS 20 2HE HIS 20 -5.259 5.976 -5.444
46 H LYS 21 H LYS 21 2.229 5.913 -6.647
47 HA LYS 21 HA LYS 21 4.290 5.417 -4.951
48 1HB LYS 21 2HB LYS 21 4.132 7.748 -6.862
49 2HB LYS 21 1HB LYS 21 5.607 7.026 -6.229
50 1HG LYS 21 2HG LYS 21 5.599 5.765 -8.056
51 2HG LYS 21 1HG LYS 21 4.278 4.887 -7.283
52 1HD LYS 21 2HD LYS 21 2.652 6.334 -8.389
53 2HD LYS 21 1HD LYS 21 3.966 7.231 -9.153
54 1HE LYS 21 2HE LYS 21 4.674 5.196 -10.317
55 2HE LYS 21 1HE LYS 21 3.361 4.301 -9.551
56 1HZ LYS 21 1HZ LYS 21 1.777 5.740 -10.677
57 2HZ LYS 21 2HZ LYS 21 2.782 4.964 -11.794
58 3HZ LYS 21 3HZ LYS 21 3.040 6.592 -11.415
59 H SER 22 H SER 22 5.614 6.665 -3.601
60 HA SER 22 HA SER 22 4.966 9.257 -2.685
61 1HB SER 22 2HB SER 22 3.635 6.978 -1.389
62 2HB SER 22 1HB SER 22 4.465 8.055 -0.267
63 HG SER 22 HG SER 22 2.918 9.432 -0.551
64 HA PRO 23 HA PRO 23 8.878 9.598 -0.568
65 1HB PRO 23 2HB PRO 23 7.791 8.612 2.005
66 2HB PRO 23 1HB PRO 23 8.700 10.082 1.656
67 1HG PRO 23 2HG PRO 23 5.897 9.828 1.955
68 2HG PRO 23 1HG PRO 23 6.793 11.265 1.442
69 1HD PRO 23 2HD PRO 23 5.017 9.784 -0.127
70 2HD PRO 23 1HD PRO 23 6.187 10.965 -0.727
71 H ASP 24 H ASP 24 10.624 8.317 0.039
72 HA ASP 24 HA ASP 24 11.876 6.440 0.311
73 1HB ASP 24 2HB ASP 24 9.247 5.087 0.969
74 2HB ASP 24 1HB ASP 24 10.836 4.367 1.180
75 H GLY 25 H GLY 25 9.831 7.096 -2.055
76 1HA GLY 25 2HA GLY 25 9.585 6.404 -4.228
77 2HA GLY 25 1HA GLY 25 11.084 5.513 -3.989
78 H ARG 26 H ARG 26 7.893 5.206 -2.520
79 HA ARG 26 HA ARG 26 7.512 2.630 -3.828
80 1HB ARG 26 2HB ARG 26 6.769 1.730 -1.504
81 2HB ARG 26 1HB ARG 26 8.478 1.764 -1.901
82 1HG ARG 26 2HG ARG 26 8.587 3.973 -0.705
83 2HG ARG 26 1HG ARG 26 6.971 3.618 -0.102
84 1HD ARG 26 2HD ARG 26 9.504 2.066 0.367
85 2HD ARG 26 1HD ARG 26 8.519 2.911 1.559
86 HE ARG 26 HE ARG 26 6.774 1.127 0.675
87 1HH1 ARG 26 1HH1 ARG 26 10.138 0.737 1.499
88 2HH1 ARG 26 2HH1 ARG 26 9.959 -0.911 1.998
89 1HH2 ARG 26 1HH2 ARG 26 6.528 -1.046 1.331
90 2HH2 ARG 26 2HH2 ARG 26 7.907 -1.925 1.902
91 H THR 27 H THR 27 5.245 1.794 -3.355
92 HA THR 27 HA THR 27 3.452 4.118 -3.394
93 HB THR 27 HB THR 27 3.271 2.833 -5.406
94 HG1 THR 27 1HG THR 27 1.081 2.165 -3.708
95 1HG2 THR 27 1HG2 THR 27 2.890 0.452 -3.594
96 2HG2 THR 27 2HG2 THR 27 4.193 0.723 -4.752
97 3HG2 THR 27 3HG2 THR 27 2.548 0.434 -5.323
98 H TYR 28 H TYR 28 1.919 4.404 -1.903
99 HA TYR 28 HA TYR 28 1.658 2.365 0.199
100 1HB TYR 28 2HB TYR 28 0.936 4.100 1.677
101 2HB TYR 28 1HB TYR 28 2.342 4.727 0.832
102 HD1 TYR 28 1HD TYR 28 -1.212 5.108 1.430
103 HD2 TYR 28 2HD TYR 28 2.052 6.437 -0.951
104 HE1 TYR 28 1HE TYR 28 -2.525 7.068 0.733
105 HE2 TYR 28 2HE TYR 28 0.745 8.398 -1.655
106 HH TYR 28 HH TYR 28 -2.136 9.334 -0.131
107 H TYR 29 H TYR 29 -0.367 1.704 0.908
108 HA TYR 29 HA TYR 29 -2.507 2.142 -1.049
109 1HB TYR 29 2HB TYR 29 -2.699 0.032 1.052
110 2HB TYR 29 1HB TYR 29 -3.328 0.030 -0.583
111 HD1 TYR 29 1HD TYR 29 -2.180 -1.095 -2.290
112 HD2 TYR 29 2HD TYR 29 -0.161 -0.223 1.354
113 HE1 TYR 29 1HE TYR 29 -0.275 -2.470 -3.019
114 HE2 TYR 29 2HE TYR 29 1.747 -1.594 0.633
115 HH TYR 29 HH TYR 29 2.155 -2.650 -2.543
116 H TYR 30 H TYR 30 -3.999 3.516 -0.499
117 HA TYR 30 HA TYR 30 -4.447 4.121 2.328
118 1HB TYR 30 2HB TYR 30 -3.913 6.127 1.275
119 2HB TYR 30 1HB TYR 30 -4.750 5.690 -0.210
120 HD1 TYR 30 1HD TYR 30 -6.774 6.712 -0.652
121 HD2 TYR 30 2HD TYR 30 -5.493 6.391 3.392
122 HE1 TYR 30 1HE TYR 30 -8.731 8.019 0.066
123 HE2 TYR 30 2HE TYR 30 -7.445 7.697 4.121
124 HH TYR 30 HH TYR 30 -10.086 8.335 2.103
125 H ASN 31 H ASN 31 -6.039 2.950 3.140
126 HA ASN 31 HA ASN 31 -8.122 1.802 1.606
127 1HB ASN 31 2HB ASN 31 -7.169 1.153 3.974
128 2HB ASN 31 1HB ASN 31 -8.363 2.304 4.560
129 1HD2 ASN 31 1HD2 ASN 31 -10.184 1.630 2.323
130 2HD2 ASN 31 2HD2 ASN 31 -10.891 0.116 2.754
131 H THR 32 H THR 32 -9.572 3.047 0.603
132 HA THR 32 HA THR 32 -10.187 5.698 1.322
133 HB THR 32 HB THR 32 -12.032 5.530 -0.311
134 HG1 THR 32 1HG THR 32 -12.616 3.608 -1.152
135 1HG2 THR 32 1HG2 THR 32 -10.642 4.982 -2.275
136 2HG2 THR 32 2HG2 THR 32 -9.428 4.288 -1.201
137 3HG2 THR 32 3HG2 THR 32 -9.793 6.011 -1.121
138 H GLU 33 H GLU 33 -11.931 2.660 1.909
139 HA GLU 33 HA GLU 33 -14.176 3.908 3.125
140 1HB GLU 33 2HB GLU 33 -14.538 1.777 2.184
141 2HB GLU 33 1HB GLU 33 -13.152 1.090 3.019
142 1HG GLU 33 2HG GLU 33 -15.202 0.294 4.009
143 2HG GLU 33 1HG GLU 33 -14.343 1.323 5.153
144 H THR 34 H THR 34 -11.410 2.141 4.416
145 HA THR 34 HA THR 34 -12.127 2.638 7.145
146 HB THR 34 HB THR 34 -9.526 1.623 5.987
147 HG1 THR 34 1HG THR 34 -10.852 -0.014 5.610
148 1HG2 THR 34 1HG2 THR 34 -10.567 1.540 8.821
149 2HG2 THR 34 2HG2 THR 34 -9.232 2.534 8.239
150 3HG2 THR 34 3HG2 THR 34 -9.085 0.778 8.244
151 H LYS 35 H LYS 35 -9.749 3.935 4.894
152 HA LYS 35 HA LYS 35 -8.820 6.009 4.735
153 1HB LYS 35 2HB LYS 35 -9.949 6.554 7.499
154 2HB LYS 35 1HB LYS 35 -9.144 7.729 6.471
155 1HG LYS 35 2HG LYS 35 -10.926 7.539 4.827
156 2HG LYS 35 1HG LYS 35 -11.732 6.329 5.827
157 1HD LYS 35 2HD LYS 35 -11.104 9.113 6.788
158 2HD LYS 35 1HD LYS 35 -12.630 8.681 6.011
159 1HE LYS 35 2HE LYS 35 -13.015 6.989 7.756
160 2HE LYS 35 1HE LYS 35 -11.514 7.477 8.543
161 1HZ LYS 35 1HZ LYS 35 -13.423 8.512 9.586
162 2HZ LYS 35 2HZ LYS 35 -13.890 9.207 8.116
163 3HZ LYS 35 3HZ LYS 35 -12.448 9.688 8.858
164 H GLN 36 H GLN 36 -7.490 3.911 5.105
165 HA GLN 36 HA GLN 36 -5.466 4.649 7.127
166 1HB GLN 36 2HB GLN 36 -6.840 2.576 7.689
167 2HB GLN 36 1HB GLN 36 -6.042 1.803 6.325
168 1HG GLN 36 2HG GLN 36 -3.939 2.857 7.729
169 2HG GLN 36 1HG GLN 36 -5.054 2.369 9.004
170 1HE2 GLN 36 1HE2 GLN 36 -3.091 1.306 6.346
171 2HE2 GLN 36 2HE2 GLN 36 -3.103 -0.374 6.739
172 H SER 37 H SER 37 -3.943 5.538 5.921
173 HA SER 37 HA SER 37 -3.091 4.209 3.451
174 1HB SER 37 2HB SER 37 -1.875 6.338 2.998
175 2HB SER 37 1HB SER 37 -3.612 6.563 3.189
176 HG SER 37 HG SER 37 -3.297 7.554 5.072
177 H THR 38 H THR 38 -1.418 2.851 3.614
178 HA THR 38 HA THR 38 1.038 3.612 4.873
179 HB THR 38 HB THR 38 -0.334 2.832 6.843
180 HG1 THR 38 1HG THR 38 1.423 1.284 7.482
181 1HG2 THR 38 1HG2 THR 38 -0.722 0.453 7.116
182 2HG2 THR 38 2HG2 THR 38 -0.017 0.129 5.533
183 3HG2 THR 38 3HG2 THR 38 -1.533 1.021 5.657
184 H TRP 39 H TRP 39 2.667 1.706 4.758
185 HA TRP 39 HA TRP 39 2.154 0.306 2.224
186 1HB TRP 39 2HB TRP 39 4.814 -0.007 3.453
187 2HB TRP 39 1HB TRP 39 4.391 0.366 1.789
188 HD1 TRP 39 HD TRP 39 5.222 1.967 5.116
189 HE1 TRP 39 1HE TRP 39 5.915 4.427 4.695
190 HE3 TRP 39 3HE TRP 39 4.017 2.300 0.180
191 HZ2 TRP 39 2HZ TRP 39 5.945 6.234 2.535
192 HZ3 TRP 39 3HZ TRP 39 4.407 4.423 -0.997
193 HH2 TRP 39 HH TRP 39 5.351 6.351 0.162
194 H GLU 40 H GLU 40 1.087 -1.553 2.672
195 HA GLU 40 HA GLU 40 2.478 -3.660 3.987
196 1HB GLU 40 2HB GLU 40 1.330 -3.887 5.957
197 2HB GLU 40 1HB GLU 40 1.242 -2.137 5.790
198 1HG GLU 40 2HG GLU 40 -0.993 -2.365 4.798
199 2HG GLU 40 1HG GLU 40 -0.904 -4.108 5.037
200 H LYS 41 H LYS 41 1.241 -5.703 3.873
201 HA LYS 41 HA LYS 41 -0.030 -6.033 1.399
202 1HB LYS 41 2HB LYS 41 -0.685 -8.256 2.800
203 2HB LYS 41 1HB LYS 41 0.847 -8.032 1.983
204 1HG LYS 41 2HG LYS 41 1.953 -7.545 3.971
205 2HG LYS 41 1HG LYS 41 0.450 -7.184 4.821
206 1HD LYS 41 2HD LYS 41 1.261 -9.308 5.593
207 2HD LYS 41 1HD LYS 41 -0.171 -9.590 4.602
208 1HE LYS 41 2HE LYS 41 1.277 -10.142 2.694
209 2HE LYS 41 1HE LYS 41 2.697 -9.891 3.710
210 1HZ LYS 41 1HZ LYS 41 0.593 -11.945 4.137
211 2HZ LYS 41 2HZ LYS 41 1.929 -11.693 5.142
212 3HZ LYS 41 3HZ LYS 41 2.156 -12.228 3.554
213 HA PRO 42 HA PRO 42 -4.029 -4.714 3.096
214 1HB PRO 42 2HB PRO 42 -4.970 -4.449 0.382
215 2HB PRO 42 1HB PRO 42 -4.615 -3.181 1.555
216 1HG PRO 42 2HG PRO 42 -3.152 -3.613 -0.721
217 2HG PRO 42 1HG PRO 42 -2.519 -2.838 0.742
218 1HD PRO 42 2HD PRO 42 -2.191 -5.661 -0.205
219 2HD PRO 42 1HD PRO 42 -1.004 -4.584 0.563
Start of MODEL 8
1 H SER 15 H SER 15 -8.606 -3.382 -2.299
2 HA SER 15 HA SER 15 -10.412 -2.935 -4.522
3 1HB SER 15 2HB SER 15 -11.318 -4.410 -2.036
4 2HB SER 15 1HB SER 15 -12.377 -3.832 -3.322
5 HG SER 15 HG SER 15 -11.804 -5.466 -4.525
6 H MET 16 H MET 16 -10.356 -2.778 -0.964
7 HA MET 16 HA MET 16 -11.564 -0.145 -1.010
8 1HB MET 16 2HB MET 16 -10.592 -1.845 1.297
9 2HB MET 16 1HB MET 16 -11.464 -0.327 1.460
10 1HG MET 16 2HG MET 16 -13.422 -1.275 0.464
11 2HG MET 16 1HG MET 16 -12.557 -2.760 0.073
12 1HE MET 16 1HE MET 16 -12.198 -0.711 3.419
13 2HE MET 16 2HE MET 16 -13.461 -1.441 4.409
14 3HE MET 16 3HE MET 16 -13.894 -0.481 2.994
15 H TRP 17 H TRP 17 -8.484 -1.360 -1.317
16 HA TRP 17 HA TRP 17 -7.269 1.068 -0.173
17 1HB TRP 17 2HB TRP 17 -5.822 -1.516 -0.742
18 2HB TRP 17 1HB TRP 17 -5.245 -0.143 0.190
19 HD1 TRP 17 HD TRP 17 -8.194 -2.671 0.461
20 HE1 TRP 17 1HE TRP 17 -8.462 -3.268 2.947
21 HE3 TRP 17 3HE TRP 17 -4.534 0.305 2.390
22 HZ2 TRP 17 2HZ TRP 17 -7.275 -2.556 5.414
23 HZ3 TRP 17 3HZ TRP 17 -4.153 0.291 4.815
24 HH2 TRP 17 HH TRP 17 -5.494 -1.112 6.302
25 H THR 18 H THR 18 -6.349 2.455 -1.515
26 HA THR 18 HA THR 18 -5.880 1.623 -4.285
27 HB THR 18 HB THR 18 -5.878 4.028 -4.816
28 HG1 THR 18 1HG THR 18 -5.240 5.063 -3.003
29 1HG2 THR 18 1HG2 THR 18 -7.989 2.779 -4.899
30 2HG2 THR 18 2HG2 THR 18 -8.247 4.462 -4.438
31 3HG2 THR 18 3HG2 THR 18 -8.292 3.195 -3.212
32 H GLU 19 H GLU 19 -3.807 1.572 -5.076
33 HA GLU 19 HA GLU 19 -1.711 2.416 -3.223
34 1HB GLU 19 2HB GLU 19 -0.296 0.809 -4.170
35 2HB GLU 19 1HB GLU 19 -1.857 0.020 -4.057
36 1HG GLU 19 2HG GLU 19 -2.225 0.583 -6.459
37 2HG GLU 19 1HG GLU 19 -0.562 1.169 -6.510
38 H HIS 20 H HIS 20 -0.386 4.036 -3.642
39 HA HIS 20 HA HIS 20 0.135 4.892 -6.376
40 1HB HIS 20 2HB HIS 20 -1.062 6.798 -4.349
41 2HB HIS 20 1HB HIS 20 -0.494 7.228 -5.959
42 HD1 HIS 20 1HD HIS 20 -1.908 6.186 -7.986
43 HD2 HIS 20 2HD HIS 20 -3.659 5.950 -4.225
44 HE1 HIS 20 1HE HIS 20 -4.339 5.696 -8.407
45 HE2 HIS 20 2HE HIS 20 -5.363 5.477 -6.115
46 H LYS 21 H LYS 21 2.016 6.197 -6.576
47 HA LYS 21 HA LYS 21 4.155 5.671 -5.010
48 1HB LYS 21 2HB LYS 21 3.607 8.217 -6.535
49 2HB LYS 21 1HB LYS 21 5.187 7.751 -5.912
50 1HG LYS 21 2HG LYS 21 5.559 6.549 -7.723
51 2HG LYS 21 1HG LYS 21 4.135 5.570 -7.357
52 1HD LYS 21 2HD LYS 21 2.732 7.254 -8.510
53 2HD LYS 21 1HD LYS 21 4.198 8.136 -8.945
54 1HE LYS 21 2HE LYS 21 3.499 5.318 -9.763
55 2HE LYS 21 1HE LYS 21 3.442 6.746 -10.795
56 1HZ LYS 21 1HZ LYS 21 5.893 5.675 -9.507
57 2HZ LYS 21 2HZ LYS 21 5.815 6.990 -10.568
58 3HZ LYS 21 3HZ LYS 21 5.462 5.433 -11.126
59 H SER 22 H SER 22 5.370 6.799 -3.470
60 HA SER 22 HA SER 22 4.398 9.038 -2.029
61 1HB SER 22 2HB SER 22 3.833 6.275 -0.974
62 2HB SER 22 1HB SER 22 4.062 7.624 0.135
63 HG SER 22 HG SER 22 2.404 8.676 -1.308
64 HA PRO 23 HA PRO 23 8.418 9.552 -0.219
65 1HB PRO 23 2HB PRO 23 7.837 8.369 2.377
66 2HB PRO 23 1HB PRO 23 8.214 10.044 1.976
67 1HG PRO 23 2HG PRO 23 5.620 8.802 2.433
68 2HG PRO 23 1HG PRO 23 6.033 10.519 2.330
69 1HD PRO 23 2HD PRO 23 4.557 9.217 0.453
70 2HD PRO 23 1HD PRO 23 5.580 10.613 0.082
71 H ASP 24 H ASP 24 10.315 8.391 0.373
72 HA ASP 24 HA ASP 24 11.734 6.624 0.463
73 1HB ASP 24 2HB ASP 24 9.237 4.995 0.994
74 2HB ASP 24 1HB ASP 24 10.883 4.396 1.143
75 H GLY 25 H GLY 25 9.553 7.226 -1.846
76 1HA GLY 25 2HA GLY 25 9.438 6.729 -4.083
77 2HA GLY 25 1HA GLY 25 10.985 5.910 -3.884
78 H ARG 26 H ARG 26 7.759 5.388 -2.583
79 HA ARG 26 HA ARG 26 7.515 2.873 -4.003
80 1HB ARG 26 2HB ARG 26 6.847 1.794 -1.743
81 2HB ARG 26 1HB ARG 26 8.551 1.935 -2.141
82 1HG ARG 26 2HG ARG 26 8.472 4.122 -0.810
83 2HG ARG 26 1HG ARG 26 6.942 3.518 -0.180
84 1HD ARG 26 2HD ARG 26 9.693 2.384 0.143
85 2HD ARG 26 1HD ARG 26 8.521 2.815 1.386
86 HE ARG 26 HE ARG 26 7.204 0.860 0.256
87 1HH1 ARG 26 1HH1 ARG 26 10.624 1.034 0.901
88 2HH1 ARG 26 2HH1 ARG 26 10.808 -0.679 1.077
89 1HH2 ARG 26 1HH2 ARG 26 7.439 -1.397 0.485
90 2HH2 ARG 26 2HH2 ARG 26 8.999 -2.060 0.840
91 H THR 27 H THR 27 5.285 1.902 -3.537
92 HA THR 27 HA THR 27 3.398 4.147 -3.470
93 HB THR 27 HB THR 27 3.182 2.899 -5.487
94 HG1 THR 27 1HG THR 27 1.038 2.401 -5.345
95 1HG2 THR 27 1HG2 THR 27 2.656 0.451 -5.443
96 2HG2 THR 27 2HG2 THR 27 3.066 0.449 -3.726
97 3HG2 THR 27 3HG2 THR 27 4.294 0.852 -4.926
98 H TYR 28 H TYR 28 1.844 4.326 -1.982
99 HA TYR 28 HA TYR 28 1.788 2.287 0.117
100 1HB TYR 28 2HB TYR 28 0.840 3.988 1.591
101 2HB TYR 28 1HB TYR 28 2.361 4.523 0.913
102 HD1 TYR 28 1HD TYR 28 0.017 4.935 -1.665
103 HD2 TYR 28 2HD TYR 28 1.165 6.622 2.071
104 HE1 TYR 28 1HE TYR 28 -1.048 7.050 -2.300
105 HE2 TYR 28 2HE TYR 28 0.097 8.742 1.441
106 HH TYR 28 HH TYR 28 -0.557 9.942 -0.594
107 H TYR 29 H TYR 29 -0.239 1.840 1.159
108 HA TYR 29 HA TYR 29 -2.416 1.706 -0.798
109 1HB TYR 29 2HB TYR 29 -1.830 0.018 1.641
110 2HB TYR 29 1HB TYR 29 -3.250 -0.166 0.621
111 HD1 TYR 29 1HD TYR 29 0.370 -0.653 0.855
112 HD2 TYR 29 2HD TYR 29 -3.066 -1.128 -1.609
113 HE1 TYR 29 1HE TYR 29 1.651 -2.129 -0.636
114 HE2 TYR 29 2HE TYR 29 -1.794 -2.609 -3.105
115 HH TYR 29 HH TYR 29 1.272 -3.867 -2.277
116 H TYR 30 H TYR 30 -3.861 3.256 -0.510
117 HA TYR 30 HA TYR 30 -4.409 4.194 2.210
118 1HB TYR 30 2HB TYR 30 -3.797 6.025 0.853
119 2HB TYR 30 1HB TYR 30 -4.763 5.453 -0.503
120 HD1 TYR 30 1HD TYR 30 -6.807 6.462 -0.897
121 HD2 TYR 30 2HD TYR 30 -5.181 6.609 3.031
122 HE1 TYR 30 1HE TYR 30 -8.663 7.912 -0.189
123 HE2 TYR 30 2HE TYR 30 -7.032 8.058 3.750
124 HH TYR 30 HH TYR 30 -8.647 9.623 2.731
125 H ASN 31 H ASN 31 -5.980 3.019 3.079
126 HA ASN 31 HA ASN 31 -8.085 1.805 1.631
127 1HB ASN 31 2HB ASN 31 -7.150 1.196 3.977
128 2HB ASN 31 1HB ASN 31 -8.190 2.483 4.577
129 1HD2 ASN 31 1HD2 ASN 31 -10.174 1.842 2.424
130 2HD2 ASN 31 2HD2 ASN 31 -11.004 0.442 2.997
131 H THR 32 H THR 32 -9.328 3.158 0.470
132 HA THR 32 HA THR 32 -9.922 5.806 1.014
133 HB THR 32 HB THR 32 -11.885 4.059 -0.433
134 HG1 THR 32 1HG THR 32 -9.500 3.666 -0.944
135 1HG2 THR 32 1HG2 THR 32 -10.782 6.818 -0.961
136 2HG2 THR 32 2HG2 THR 32 -12.346 6.458 -0.229
137 3HG2 THR 32 3HG2 THR 32 -12.030 6.005 -1.905
138 H GLU 33 H GLU 33 -11.564 2.894 2.112
139 HA GLU 33 HA GLU 33 -13.812 4.340 3.169
140 1HB GLU 33 2HB GLU 33 -14.251 2.146 2.388
141 2HB GLU 33 1HB GLU 33 -12.914 1.479 3.312
142 1HG GLU 33 2HG GLU 33 -15.033 0.889 4.320
143 2HG GLU 33 1HG GLU 33 -14.118 1.949 5.389
144 H THR 34 H THR 34 -11.458 2.214 4.731
145 HA THR 34 HA THR 34 -11.980 3.127 7.341
146 HB THR 34 HB THR 34 -9.506 1.747 6.283
147 HG1 THR 34 1HG THR 34 -11.445 0.417 7.786
148 1HG2 THR 34 1HG2 THR 34 -9.063 2.793 8.436
149 2HG2 THR 34 2HG2 THR 34 -9.167 1.042 8.622
150 3HG2 THR 34 3HG2 THR 34 -10.520 2.063 9.112
151 H LYS 35 H LYS 35 -9.717 4.168 4.895
152 HA LYS 35 HA LYS 35 -8.620 6.150 4.626
153 1HB LYS 35 2HB LYS 35 -9.333 6.814 7.496
154 2HB LYS 35 1HB LYS 35 -8.676 7.916 6.296
155 1HG LYS 35 2HG LYS 35 -10.736 7.662 4.971
156 2HG LYS 35 1HG LYS 35 -11.397 6.631 6.244
157 1HD LYS 35 2HD LYS 35 -11.227 8.460 7.838
158 2HD LYS 35 1HD LYS 35 -10.504 9.490 6.600
159 1HE LYS 35 2HE LYS 35 -12.559 9.331 5.276
160 2HE LYS 35 1HE LYS 35 -13.278 8.304 6.516
161 1HZ LYS 35 1HZ LYS 35 -12.417 11.124 6.879
162 2HZ LYS 35 2HZ LYS 35 -13.073 10.140 8.087
163 3HZ LYS 35 3HZ LYS 35 -14.014 10.581 6.754
164 H GLN 36 H GLN 36 -7.455 3.876 4.982
165 HA GLN 36 HA GLN 36 -5.317 4.377 6.954
166 1HB GLN 36 2HB GLN 36 -6.645 2.329 7.318
167 2HB GLN 36 1HB GLN 36 -6.141 1.739 5.742
168 1HG GLN 36 2HG GLN 36 -4.814 0.730 7.487
169 2HG GLN 36 1HG GLN 36 -3.813 1.777 6.479
170 1HE2 GLN 36 1HE2 GLN 36 -2.280 2.375 7.846
171 2HE2 GLN 36 2HE2 GLN 36 -2.532 3.197 9.343
172 H SER 37 H SER 37 -3.813 5.420 5.879
173 HA SER 37 HA SER 37 -2.931 4.395 3.275
174 1HB SER 37 2HB SER 37 -1.762 6.561 3.019
175 2HB SER 37 1HB SER 37 -3.490 6.769 3.293
176 HG SER 37 HG SER 37 -1.345 7.225 5.063
177 H THR 38 H THR 38 -1.419 2.831 3.568
178 HA THR 38 HA THR 38 1.134 3.534 4.655
179 HB THR 38 HB THR 38 0.041 3.050 6.772
180 HG1 THR 38 1HG THR 38 1.403 1.179 7.357
181 1HG2 THR 38 1HG2 THR 38 -1.774 1.634 5.955
182 2HG2 THR 38 2HG2 THR 38 -0.886 0.825 7.248
183 3HG2 THR 38 3HG2 THR 38 -0.619 0.359 5.568
184 H TRP 39 H TRP 39 2.664 1.568 4.561
185 HA TRP 39 HA TRP 39 1.904 -0.005 2.199
186 1HB TRP 39 2HB TRP 39 4.615 -0.501 3.006
187 2HB TRP 39 1HB TRP 39 4.033 0.214 1.509
188 HD1 TRP 39 HD TRP 39 5.274 1.126 4.982
189 HE1 TRP 39 1HE TRP 39 6.216 3.534 4.906
190 HE3 TRP 39 3HE TRP 39 3.894 2.359 0.244
191 HZ2 TRP 39 2HZ TRP 39 6.343 5.658 3.049
192 HZ3 TRP 39 3HZ TRP 39 4.463 4.591 -0.619
193 HH2 TRP 39 HH TRP 39 5.662 6.208 0.759
194 H GLU 40 H GLU 40 0.856 -1.788 2.833
195 HA GLU 40 HA GLU 40 2.261 -3.830 4.236
196 1HB GLU 40 2HB GLU 40 1.234 -3.852 6.277
197 2HB GLU 40 1HB GLU 40 1.129 -2.124 5.961
198 1HG GLU 40 2HG GLU 40 -1.154 -2.436 5.115
199 2HG GLU 40 1HG GLU 40 -1.047 -4.153 5.499
200 H LYS 41 H LYS 41 1.043 -5.854 4.261
201 HA LYS 41 HA LYS 41 -0.351 -6.338 1.905
202 1HB LYS 41 2HB LYS 41 -1.040 -8.404 3.541
203 2HB LYS 41 1HB LYS 41 0.437 -8.323 2.605
204 1HG LYS 41 2HG LYS 41 1.699 -7.697 4.465
205 2HG LYS 41 1HG LYS 41 0.266 -7.230 5.384
206 1HD LYS 41 2HD LYS 41 1.099 -9.313 6.254
207 2HD LYS 41 1HD LYS 41 -0.423 -9.619 5.416
208 1HE LYS 41 2HE LYS 41 0.827 -10.378 3.448
209 2HE LYS 41 1HE LYS 41 2.342 -10.082 4.299
210 1HZ LYS 41 1HZ LYS 41 1.722 -12.413 4.387
211 2HZ LYS 41 2HZ LYS 41 0.249 -12.022 5.121
212 3HZ LYS 41 3HZ LYS 41 1.702 -11.738 5.938
213 HA PRO 42 HA PRO 42 -4.286 -4.844 3.580
214 1HB PRO 42 2HB PRO 42 -5.286 -4.497 0.941
215 2HB PRO 42 1HB PRO 42 -4.675 -3.254 2.030
216 1HG PRO 42 2HG PRO 42 -3.478 -4.053 -0.351
217 2HG PRO 42 1HG PRO 42 -2.691 -3.139 0.944
218 1HD PRO 42 2HD PRO 42 -2.540 -6.051 0.315
219 2HD PRO 42 1HD PRO 42 -1.291 -4.966 0.962
Start of MODEL 9
1 H SER 15 H SER 15 -8.357 -3.126 -2.730
2 HA SER 15 HA SER 15 -9.905 -2.543 -5.056
3 1HB SER 15 2HB SER 15 -11.109 -4.241 -2.870
4 2HB SER 15 1HB SER 15 -12.090 -3.307 -4.000
5 HG SER 15 HG SER 15 -11.541 -5.624 -4.500
6 H MET 16 H MET 16 -10.518 -2.668 -1.552
7 HA MET 16 HA MET 16 -11.589 -0.031 -1.473
8 1HB MET 16 2HB MET 16 -10.667 -1.891 0.723
9 2HB MET 16 1HB MET 16 -11.468 -0.354 1.012
10 1HG MET 16 2HG MET 16 -13.477 -1.116 0.013
11 2HG MET 16 1HG MET 16 -12.694 -2.571 -0.601
12 1HE MET 16 1HE MET 16 -13.746 -0.633 2.665
13 2HE MET 16 2HE MET 16 -12.059 -1.047 2.964
14 3HE MET 16 3HE MET 16 -13.335 -1.813 3.909
15 H TRP 17 H TRP 17 -8.429 -1.240 -1.540
16 HA TRP 17 HA TRP 17 -7.347 1.164 -0.245
17 1HB TRP 17 2HB TRP 17 -5.899 -1.380 -1.007
18 2HB TRP 17 1HB TRP 17 -5.223 -0.024 -0.111
19 HD1 TRP 17 HD TRP 17 -8.198 -2.494 0.348
20 HE1 TRP 17 1HE TRP 17 -8.327 -3.070 2.851
21 HE3 TRP 17 3HE TRP 17 -4.387 0.437 2.029
22 HZ2 TRP 17 2HZ TRP 17 -6.988 -2.356 5.235
23 HZ3 TRP 17 3HZ TRP 17 -3.864 0.439 4.429
24 HH2 TRP 17 HH TRP 17 -5.135 -0.932 6.004
25 H THR 18 H THR 18 -6.341 2.682 -1.368
26 HA THR 18 HA THR 18 -5.888 2.210 -4.222
27 HB THR 18 HB THR 18 -5.834 4.711 -4.385
28 HG1 THR 18 1HG THR 18 -5.947 4.451 -1.678
29 1HG2 THR 18 1HG2 THR 18 -8.347 3.508 -3.222
30 2HG2 THR 18 2HG2 THR 18 -7.873 3.486 -4.920
31 3HG2 THR 18 3HG2 THR 18 -8.263 5.015 -4.133
32 H GLU 19 H GLU 19 -3.793 1.795 -4.713
33 HA GLU 19 HA GLU 19 -1.727 2.842 -2.954
34 1HB GLU 19 2HB GLU 19 -0.308 1.134 -3.735
35 2HB GLU 19 1HB GLU 19 -1.878 0.387 -3.502
36 1HG GLU 19 2HG GLU 19 -0.692 1.253 -6.129
37 2HG GLU 19 1HG GLU 19 -0.831 -0.401 -5.537
38 H HIS 20 H HIS 20 -0.299 4.321 -3.505
39 HA HIS 20 HA HIS 20 0.235 4.935 -6.312
40 1HB HIS 20 2HB HIS 20 -0.596 7.097 -4.369
41 2HB HIS 20 1HB HIS 20 -0.210 7.294 -6.074
42 HD1 HIS 20 1HD HIS 20 -2.034 6.606 -7.785
43 HD2 HIS 20 2HD HIS 20 -3.169 6.165 -3.809
44 HE1 HIS 20 1HE HIS 20 -4.526 6.258 -7.830
45 HE2 HIS 20 2HE HIS 20 -5.202 6.104 -5.408
46 H LYS 21 H LYS 21 2.281 5.806 -6.664
47 HA LYS 21 HA LYS 21 4.327 5.325 -4.946
48 1HB LYS 21 2HB LYS 21 4.109 7.428 -7.091
49 2HB LYS 21 1HB LYS 21 5.617 7.051 -6.262
50 1HG LYS 21 2HG LYS 21 5.957 5.267 -7.523
51 2HG LYS 21 1HG LYS 21 4.330 4.672 -7.192
52 1HD LYS 21 2HD LYS 21 3.452 6.163 -8.946
53 2HD LYS 21 1HD LYS 21 5.100 6.687 -9.301
54 1HE LYS 21 2HE LYS 21 5.705 4.398 -9.893
55 2HE LYS 21 1HE LYS 21 4.068 3.862 -9.518
56 1HZ LYS 21 1HZ LYS 21 4.823 5.781 -11.653
57 2HZ LYS 21 2HZ LYS 21 3.244 5.302 -11.284
58 3HZ LYS 21 3HZ LYS 21 4.351 4.173 -11.884
59 H SER 22 H SER 22 5.728 6.657 -3.717
60 HA SER 22 HA SER 22 5.059 9.269 -2.856
61 1HB SER 22 2HB SER 22 4.605 8.197 -0.406
62 2HB SER 22 1HB SER 22 3.313 8.618 -1.532
63 HG SER 22 HG SER 22 3.242 6.487 -2.206
64 HA PRO 23 HA PRO 23 9.053 9.642 -0.893
65 1HB PRO 23 2HB PRO 23 8.243 8.988 1.824
66 2HB PRO 23 1HB PRO 23 8.818 10.524 1.175
67 1HG PRO 23 2HG PRO 23 6.074 9.616 1.641
68 2HG PRO 23 1HG PRO 23 6.681 11.258 1.372
69 1HD PRO 23 2HD PRO 23 5.176 9.963 -0.456
70 2HD PRO 23 1HD PRO 23 6.459 11.096 -0.925
71 H ASP 24 H ASP 24 10.764 8.370 -0.091
72 HA ASP 24 HA ASP 24 11.935 6.475 0.379
73 1HB ASP 24 2HB ASP 24 9.253 5.158 0.883
74 2HB ASP 24 1HB ASP 24 10.825 4.507 1.325
75 H GLY 25 H GLY 25 9.827 6.980 -2.068
76 1HA GLY 25 2HA GLY 25 9.744 6.254 -4.241
77 2HA GLY 25 1HA GLY 25 11.211 5.341 -3.902
78 H ARG 26 H ARG 26 7.930 5.217 -2.631
79 HA ARG 26 HA ARG 26 7.487 2.623 -3.833
80 1HB ARG 26 2HB ARG 26 6.741 1.794 -1.480
81 2HB ARG 26 1HB ARG 26 8.437 1.714 -1.928
82 1HG ARG 26 2HG ARG 26 8.741 3.902 -0.747
83 2HG ARG 26 1HG ARG 26 7.098 3.722 -0.145
84 1HD ARG 26 2HD ARG 26 8.735 2.928 1.481
85 2HD ARG 26 1HD ARG 26 7.692 1.623 0.923
86 HE ARG 26 HE ARG 26 10.120 1.809 -0.577
87 1HH1 ARG 26 1HH1 ARG 26 8.708 0.587 2.367
88 2HH1 ARG 26 2HH1 ARG 26 9.876 -0.678 2.552
89 1HH2 ARG 26 1HH2 ARG 26 11.658 0.143 -0.341
90 2HH2 ARG 26 2HH2 ARG 26 11.552 -0.931 1.015
91 H THR 27 H THR 27 5.238 1.854 -3.325
92 HA THR 27 HA THR 27 3.484 4.205 -3.304
93 HB THR 27 HB THR 27 3.217 3.007 -5.340
94 HG1 THR 27 1HG THR 27 1.007 1.962 -4.829
95 1HG2 THR 27 1HG2 THR 27 4.252 0.905 -4.750
96 2HG2 THR 27 2HG2 THR 27 2.636 0.592 -5.382
97 3HG2 THR 27 3HG2 THR 27 2.932 0.524 -3.646
98 H TYR 28 H TYR 28 1.937 4.464 -1.791
99 HA TYR 28 HA TYR 28 1.688 2.336 0.223
100 1HB TYR 28 2HB TYR 28 0.889 4.013 1.775
101 2HB TYR 28 1HB TYR 28 2.393 4.573 1.064
102 HD1 TYR 28 1HD TYR 28 2.509 6.733 0.261
103 HD2 TYR 28 2HD TYR 28 -1.312 4.905 0.617
104 HE1 TYR 28 1HE TYR 28 1.441 8.862 -0.348
105 HE2 TYR 28 2HE TYR 28 -2.391 7.027 0.004
106 HH TYR 28 HH TYR 28 -0.692 9.643 -1.310
107 H TYR 29 H TYR 29 -0.375 1.735 0.990
108 HA TYR 29 HA TYR 29 -2.474 2.151 -1.015
109 1HB TYR 29 2HB TYR 29 -2.748 0.074 1.098
110 2HB TYR 29 1HB TYR 29 -3.290 0.045 -0.565
111 HD1 TYR 29 1HD TYR 29 -1.964 -0.945 -2.264
112 HD2 TYR 29 2HD TYR 29 -0.327 -0.350 1.615
113 HE1 TYR 29 1HE TYR 29 -0.039 -2.348 -2.869
114 HE2 TYR 29 2HE TYR 29 1.606 -1.749 1.020
115 HH TYR 29 HH TYR 29 2.302 -2.665 -2.165
116 H TYR 30 H TYR 30 -3.990 3.524 -0.516
117 HA TYR 30 HA TYR 30 -4.519 4.129 2.301
118 1HB TYR 30 2HB TYR 30 -3.938 6.132 1.255
119 2HB TYR 30 1HB TYR 30 -4.767 5.708 -0.240
120 HD1 TYR 30 1HD TYR 30 -6.754 6.795 -0.695
121 HD2 TYR 30 2HD TYR 30 -5.562 6.346 3.365
122 HE1 TYR 30 1HE TYR 30 -8.706 8.111 0.018
123 HE2 TYR 30 2HE TYR 30 -7.511 7.660 4.089
124 HH TYR 30 HH TYR 30 -10.099 8.398 2.028
125 H ASN 31 H ASN 31 -6.102 2.859 3.016
126 HA ASN 31 HA ASN 31 -8.190 1.818 1.399
127 1HB ASN 31 2HB ASN 31 -7.259 0.923 3.655
128 2HB ASN 31 1HB ASN 31 -8.324 2.108 4.400
129 1HD2 ASN 31 1HD2 ASN 31 -10.270 1.714 2.152
130 2HD2 ASN 31 2HD2 ASN 31 -11.089 0.247 2.538
131 H THR 32 H THR 32 -9.639 3.155 0.498
132 HA THR 32 HA THR 32 -10.242 5.743 1.318
133 HB THR 32 HB THR 32 -12.303 5.531 -0.076
134 HG1 THR 32 1HG THR 32 -12.358 3.444 -1.280
135 1HG2 THR 32 1HG2 THR 32 -9.782 4.434 -1.329
136 2HG2 THR 32 2HG2 THR 32 -10.152 6.141 -1.085
137 3HG2 THR 32 3HG2 THR 32 -11.128 5.178 -2.193
138 H GLU 33 H GLU 33 -12.220 2.816 1.831
139 HA GLU 33 HA GLU 33 -14.242 4.000 3.344
140 1HB GLU 33 2HB GLU 33 -13.988 1.584 2.384
141 2HB GLU 33 1HB GLU 33 -13.258 1.235 3.935
142 1HG GLU 33 2HG GLU 33 -15.520 0.639 4.129
143 2HG GLU 33 1HG GLU 33 -15.327 2.152 5.011
144 H THR 34 H THR 34 -11.898 1.797 4.647
145 HA THR 34 HA THR 34 -12.116 2.469 7.314
146 HB THR 34 HB THR 34 -9.617 1.476 5.933
147 HG1 THR 34 1HG THR 34 -10.519 -0.482 5.987
148 1HG2 THR 34 1HG2 THR 34 -10.544 1.175 8.787
149 2HG2 THR 34 2HG2 THR 34 -9.248 2.237 8.237
150 3HG2 THR 34 3HG2 THR 34 -9.076 0.488 8.091
151 H LYS 35 H LYS 35 -9.853 3.755 4.915
152 HA LYS 35 HA LYS 35 -8.885 5.813 4.732
153 1HB LYS 35 2HB LYS 35 -9.861 6.360 7.549
154 2HB LYS 35 1HB LYS 35 -9.080 7.521 6.489
155 1HG LYS 35 2HG LYS 35 -10.954 7.372 4.935
156 2HG LYS 35 1HG LYS 35 -11.736 6.195 5.992
157 1HD LYS 35 2HD LYS 35 -11.708 7.909 7.803
158 2HD LYS 35 1HD LYS 35 -11.109 9.075 6.622
159 1HE LYS 35 2HE LYS 35 -13.124 8.676 5.253
160 2HE LYS 35 1HE LYS 35 -13.727 7.582 6.497
161 1HZ LYS 35 1HZ LYS 35 -13.694 9.446 8.063
162 2HZ LYS 35 2HZ LYS 35 -14.712 9.751 6.748
163 3HZ LYS 35 3HZ LYS 35 -13.190 10.485 6.827
164 H GLN 36 H GLN 36 -7.586 3.658 5.048
165 HA GLN 36 HA GLN 36 -5.527 4.260 7.082
166 1HB GLN 36 2HB GLN 36 -6.696 2.144 7.515
167 2HB GLN 36 1HB GLN 36 -6.261 1.580 5.910
168 1HG GLN 36 2HG GLN 36 -4.827 0.617 7.627
169 2HG GLN 36 1HG GLN 36 -3.913 1.616 6.498
170 1HE2 GLN 36 1HE2 GLN 36 -3.060 3.576 7.197
171 2HE2 GLN 36 2HE2 GLN 36 -2.906 3.966 8.872
172 H SER 37 H SER 37 -4.065 5.367 6.012
173 HA SER 37 HA SER 37 -3.103 4.393 3.417
174 1HB SER 37 2HB SER 37 -3.737 6.725 3.382
175 2HB SER 37 1HB SER 37 -2.749 7.063 4.803
176 HG SER 37 HG SER 37 -0.918 6.723 3.594
177 H THR 38 H THR 38 -1.495 2.944 3.671
178 HA THR 38 HA THR 38 0.968 3.712 4.911
179 HB THR 38 HB THR 38 -0.215 3.085 6.949
180 HG1 THR 38 1HG THR 38 2.083 2.351 6.396
181 1HG2 THR 38 1HG2 THR 38 -1.019 0.801 7.299
182 2HG2 THR 38 2HG2 THR 38 -0.601 0.392 5.636
183 3HG2 THR 38 3HG2 THR 38 -1.870 1.572 5.961
184 H TRP 39 H TRP 39 2.576 1.783 4.886
185 HA TRP 39 HA TRP 39 2.101 0.326 2.378
186 1HB TRP 39 2HB TRP 39 4.724 0.020 3.699
187 2HB TRP 39 1HB TRP 39 4.356 0.320 2.008
188 HD1 TRP 39 HD TRP 39 5.105 2.060 5.282
189 HE1 TRP 39 1HE TRP 39 5.841 4.486 4.780
190 HE3 TRP 39 3HE TRP 39 4.057 2.186 0.302
191 HZ2 TRP 39 2HZ TRP 39 5.958 6.201 2.542
192 HZ3 TRP 39 3HZ TRP 39 4.510 4.251 -0.951
193 HH2 TRP 39 HH TRP 39 5.440 6.219 0.148
194 H GLU 40 H GLU 40 0.995 -1.508 2.840
195 HA GLU 40 HA GLU 40 2.323 -3.616 4.204
196 1HB GLU 40 2HB GLU 40 1.228 -3.753 6.189
197 2HB GLU 40 1HB GLU 40 1.027 -2.021 5.955
198 1HG GLU 40 2HG GLU 40 -1.190 -2.448 4.962
199 2HG GLU 40 1HG GLU 40 -0.986 -4.164 5.305
200 H LYS 41 H LYS 41 1.282 -5.634 3.848
201 HA LYS 41 HA LYS 41 -0.067 -5.886 1.439
202 1HB LYS 41 2HB LYS 41 -0.647 -8.183 2.801
203 2HB LYS 41 1HB LYS 41 0.809 -7.903 1.873
204 1HG LYS 41 2HG LYS 41 2.051 -7.400 3.803
205 2HG LYS 41 1HG LYS 41 0.595 -7.227 4.784
206 1HD LYS 41 2HD LYS 41 1.503 -9.806 3.509
207 2HD LYS 41 1HD LYS 41 1.847 -9.348 5.178
208 1HE LYS 41 2HE LYS 41 -0.540 -9.261 5.659
209 2HE LYS 41 1HE LYS 41 -0.905 -9.663 3.982
210 1HZ LYS 41 1HZ LYS 41 0.195 -11.792 4.290
211 2HZ LYS 41 2HZ LYS 41 -1.058 -11.602 5.413
212 3HZ LYS 41 3HZ LYS 41 0.550 -11.404 5.898
213 HA PRO 42 HA PRO 42 -4.090 -4.784 3.220
214 1HB PRO 42 2HB PRO 42 -5.028 -4.324 0.533
215 2HB PRO 42 1HB PRO 42 -4.695 -3.141 1.796
216 1HG PRO 42 2HG PRO 42 -3.226 -3.383 -0.505
217 2HG PRO 42 1HG PRO 42 -2.603 -2.703 1.009
218 1HD PRO 42 2HD PRO 42 -2.237 -5.447 -0.134
219 2HD PRO 42 1HD PRO 42 -1.062 -4.407 0.702
Start of MODEL 10
1 H SER 15 H SER 15 -8.878 -3.226 -2.490
2 HA SER 15 HA SER 15 -9.938 -1.974 -4.836
3 1HB SER 15 2HB SER 15 -11.742 -3.598 -3.045
4 2HB SER 15 1HB SER 15 -12.350 -2.300 -4.071
5 HG SER 15 HG SER 15 -11.296 -3.485 -5.841
6 H MET 16 H MET 16 -10.969 -2.370 -1.446
7 HA MET 16 HA MET 16 -11.636 0.282 -0.968
8 1HB MET 16 2HB MET 16 -10.499 -1.700 1.018
9 2HB MET 16 1HB MET 16 -11.397 -0.245 1.416
10 1HG MET 16 2HG MET 16 -13.402 -1.132 0.512
11 2HG MET 16 1HG MET 16 -12.546 -2.496 -0.205
12 1HE MET 16 1HE MET 16 -12.907 -1.963 4.373
13 2HE MET 16 2HE MET 16 -13.665 -0.838 3.248
14 3HE MET 16 3HE MET 16 -11.909 -0.956 3.325
15 H TRP 17 H TRP 17 -8.553 -1.237 -1.204
16 HA TRP 17 HA TRP 17 -7.211 1.130 -0.101
17 1HB TRP 17 2HB TRP 17 -5.943 -1.523 -0.781
18 2HB TRP 17 1HB TRP 17 -5.253 -0.217 0.174
19 HD1 TRP 17 HD TRP 17 -8.335 -2.586 0.433
20 HE1 TRP 17 1HE TRP 17 -8.611 -3.203 2.917
21 HE3 TRP 17 3HE TRP 17 -4.531 0.197 2.374
22 HZ2 TRP 17 2HZ TRP 17 -7.379 -2.573 5.381
23 HZ3 TRP 17 3HZ TRP 17 -4.138 0.138 4.795
24 HH2 TRP 17 HH TRP 17 -5.530 -1.220 6.275
25 H THR 18 H THR 18 -6.355 2.551 -1.443
26 HA THR 18 HA THR 18 -5.893 1.758 -4.226
27 HB THR 18 HB THR 18 -5.839 4.204 -4.687
28 HG1 THR 18 1HG THR 18 -6.791 4.520 -2.028
29 1HG2 THR 18 1HG2 THR 18 -8.234 4.583 -4.439
30 2HG2 THR 18 2HG2 THR 18 -8.332 3.276 -3.260
31 3HG2 THR 18 3HG2 THR 18 -7.922 2.921 -4.939
32 H GLU 19 H GLU 19 -3.837 1.761 -5.046
33 HA GLU 19 HA GLU 19 -1.714 2.514 -3.184
34 1HB GLU 19 2HB GLU 19 -0.317 0.952 -4.271
35 2HB GLU 19 1HB GLU 19 -1.873 0.162 -4.082
36 1HG GLU 19 2HG GLU 19 -2.366 0.898 -6.455
37 2HG GLU 19 1HG GLU 19 -0.655 1.308 -6.564
38 H HIS 20 H HIS 20 -0.340 4.117 -3.577
39 HA HIS 20 HA HIS 20 0.099 5.075 -6.298
40 1HB HIS 20 2HB HIS 20 -0.926 6.910 -4.121
41 2HB HIS 20 1HB HIS 20 -0.391 7.414 -5.720
42 HD1 HIS 20 1HD HIS 20 -1.964 6.803 -7.731
43 HD2 HIS 20 2HD HIS 20 -3.511 5.940 -3.972
44 HE1 HIS 20 1HE HIS 20 -4.421 6.404 -8.090
45 HE2 HIS 20 2HE HIS 20 -5.326 5.827 -5.811
46 H LYS 21 H LYS 21 2.113 5.985 -6.593
47 HA LYS 21 HA LYS 21 4.196 5.480 -4.932
48 1HB LYS 21 2HB LYS 21 3.913 7.813 -6.829
49 2HB LYS 21 1HB LYS 21 5.435 7.266 -6.133
50 1HG LYS 21 2HG LYS 21 5.657 5.839 -7.801
51 2HG LYS 21 1HG LYS 21 4.200 5.016 -7.241
52 1HD LYS 21 2HD LYS 21 2.819 6.474 -8.609
53 2HD LYS 21 1HD LYS 21 4.250 7.366 -9.132
54 1HE LYS 21 2HE LYS 21 3.667 4.455 -9.670
55 2HE LYS 21 1HE LYS 21 3.539 5.772 -10.835
56 1HZ LYS 21 1HZ LYS 21 5.926 6.162 -10.569
57 2HZ LYS 21 2HZ LYS 21 5.609 4.595 -11.121
58 3HZ LYS 21 3HZ LYS 21 6.030 4.852 -9.502
59 H SER 22 H SER 22 5.488 6.696 -3.534
60 HA SER 22 HA SER 22 4.735 9.237 -2.514
61 1HB SER 22 2HB SER 22 3.479 6.891 -1.368
62 2HB SER 22 1HB SER 22 4.437 7.746 -0.162
63 HG SER 22 HG SER 22 3.078 9.528 -1.607
64 HA PRO 23 HA PRO 23 8.692 9.678 -0.526
65 1HB PRO 23 2HB PRO 23 7.739 8.659 2.082
66 2HB PRO 23 1HB PRO 23 8.558 10.172 1.697
67 1HG PRO 23 2HG PRO 23 5.794 9.794 2.123
68 2HG PRO 23 1HG PRO 23 6.593 11.260 1.542
69 1HD PRO 23 2HD PRO 23 4.827 9.624 0.099
70 2HD PRO 23 1HD PRO 23 5.844 10.907 -0.566
71 H ASP 24 H ASP 24 10.492 8.437 0.106
72 HA ASP 24 HA ASP 24 11.779 6.580 0.375
73 1HB ASP 24 2HB ASP 24 9.162 5.170 0.959
74 2HB ASP 24 1HB ASP 24 10.755 4.466 1.183
75 H GLY 25 H GLY 25 9.720 7.211 -2.015
76 1HA GLY 25 2HA GLY 25 9.535 6.562 -4.203
77 2HA GLY 25 1HA GLY 25 11.061 5.717 -3.963
78 H ARG 26 H ARG 26 7.738 5.383 -2.809
79 HA ARG 26 HA ARG 26 7.474 2.805 -4.066
80 1HB ARG 26 2HB ARG 26 6.753 1.907 -1.687
81 2HB ARG 26 1HB ARG 26 8.413 1.795 -2.246
82 1HG ARG 26 2HG ARG 26 8.647 4.110 -1.059
83 2HG ARG 26 1HG ARG 26 7.214 3.571 -0.182
84 1HD ARG 26 2HD ARG 26 9.073 2.890 1.104
85 2HD ARG 26 1HD ARG 26 8.459 1.442 0.315
86 HE ARG 26 HE ARG 26 10.396 2.390 -1.370
87 1HH1 ARG 26 1HH1 ARG 26 10.278 1.426 1.979
88 2HH1 ARG 26 2HH1 ARG 26 11.926 0.894 2.016
89 1HH2 ARG 26 1HH2 ARG 26 12.562 1.692 -1.328
90 2HH2 ARG 26 2HH2 ARG 26 13.224 1.044 0.136
91 H THR 27 H THR 27 5.270 1.851 -3.523
92 HA THR 27 HA THR 27 3.371 4.090 -3.499
93 HB THR 27 HB THR 27 3.269 2.722 -5.517
94 HG1 THR 27 1HG THR 27 1.204 3.119 -5.400
95 1HG2 THR 27 1HG2 THR 27 4.087 0.603 -4.680
96 2HG2 THR 27 2HG2 THR 27 2.485 0.369 -5.383
97 3HG2 THR 27 3HG2 THR 27 2.679 0.435 -3.632
98 H TYR 28 H TYR 28 1.857 4.286 -1.964
99 HA TYR 28 HA TYR 28 1.787 2.224 0.121
100 1HB TYR 28 2HB TYR 28 1.005 3.910 1.646
101 2HB TYR 28 1HB TYR 28 2.412 4.546 0.812
102 HD1 TYR 28 1HD TYR 28 -1.008 5.093 1.659
103 HD2 TYR 28 2HD TYR 28 1.997 6.133 -1.162
104 HE1 TYR 28 1HE TYR 28 -2.303 7.083 1.020
105 HE2 TYR 28 2HE TYR 28 0.710 8.121 -1.811
106 HH TYR 28 HH TYR 28 -1.543 8.959 -1.746
107 H TYR 29 H TYR 29 -0.237 1.765 1.136
108 HA TYR 29 HA TYR 29 -2.434 1.763 -0.804
109 1HB TYR 29 2HB TYR 29 -1.846 -0.016 1.567
110 2HB TYR 29 1HB TYR 29 -3.306 -0.123 0.598
111 HD1 TYR 29 1HD TYR 29 0.280 -0.786 0.726
112 HD2 TYR 29 2HD TYR 29 -3.209 -0.989 -1.703
113 HE1 TYR 29 1HE TYR 29 1.460 -2.274 -0.835
114 HE2 TYR 29 2HE TYR 29 -2.037 -2.479 -3.269
115 HH TYR 29 HH TYR 29 0.283 -3.006 -3.923
116 H TYR 30 H TYR 30 -3.800 3.378 -0.450
117 HA TYR 30 HA TYR 30 -4.373 4.187 2.306
118 1HB TYR 30 2HB TYR 30 -3.673 6.055 1.037
119 2HB TYR 30 1HB TYR 30 -4.662 5.595 -0.341
120 HD1 TYR 30 1HD TYR 30 -6.361 7.099 -0.725
121 HD2 TYR 30 2HD TYR 30 -5.323 6.197 3.301
122 HE1 TYR 30 1HE TYR 30 -8.144 8.596 0.065
123 HE2 TYR 30 2HE TYR 30 -7.103 7.691 4.102
124 HH TYR 30 HH TYR 30 -9.529 8.916 2.072
125 H ASN 31 H ASN 31 -5.983 3.032 3.083
126 HA ASN 31 HA ASN 31 -8.095 1.944 1.531
127 1HB ASN 31 2HB ASN 31 -7.152 1.175 3.838
128 2HB ASN 31 1HB ASN 31 -8.223 2.402 4.505
129 1HD2 ASN 31 1HD2 ASN 31 -10.102 1.826 2.200
130 2HD2 ASN 31 2HD2 ASN 31 -10.944 0.407 2.697
131 H THR 32 H THR 32 -9.334 3.420 0.483
132 HA THR 32 HA THR 32 -9.998 5.967 1.552
133 HB THR 32 HB THR 32 -11.643 6.056 -0.350
134 HG1 THR 32 1HG THR 32 -11.310 4.283 -1.906
135 1HG2 THR 32 1HG2 THR 32 -8.785 5.302 -0.965
136 2HG2 THR 32 2HG2 THR 32 -9.406 6.921 -0.647
137 3HG2 THR 32 3HG2 THR 32 -9.889 6.063 -2.111
138 H GLU 33 H GLU 33 -11.282 2.869 2.090
139 HA GLU 33 HA GLU 33 -13.962 3.745 2.675
140 1HB GLU 33 2HB GLU 33 -12.513 1.134 2.906
141 2HB GLU 33 1HB GLU 33 -14.143 1.341 3.539
142 1HG GLU 33 2HG GLU 33 -13.305 1.749 0.676
143 2HG GLU 33 1HG GLU 33 -14.129 0.329 1.316
144 H THR 34 H THR 34 -11.201 2.559 4.539
145 HA THR 34 HA THR 34 -12.576 3.373 6.991
146 HB THR 34 HB THR 34 -11.585 1.055 6.836
147 HG1 THR 34 1HG THR 34 -10.575 2.737 8.908
148 1HG2 THR 34 1HG2 THR 34 -9.233 0.750 7.070
149 2HG2 THR 34 2HG2 THR 34 -8.964 2.483 7.258
150 3HG2 THR 34 3HG2 THR 34 -9.478 1.835 5.704
151 H LYS 35 H LYS 35 -9.786 4.048 5.026
152 HA LYS 35 HA LYS 35 -8.664 6.042 4.818
153 1HB LYS 35 2HB LYS 35 -9.588 6.705 7.628
154 2HB LYS 35 1HB LYS 35 -8.673 7.764 6.566
155 1HG LYS 35 2HG LYS 35 -10.519 7.903 5.029
156 2HG LYS 35 1HG LYS 35 -11.435 6.725 5.974
157 1HD LYS 35 2HD LYS 35 -11.414 8.281 7.885
158 2HD LYS 35 1HD LYS 35 -10.560 9.465 6.892
159 1HE LYS 35 2HE LYS 35 -12.446 9.524 5.336
160 2HE LYS 35 1HE LYS 35 -13.297 8.331 6.316
161 1HZ LYS 35 1HZ LYS 35 -13.311 9.909 8.150
162 2HZ LYS 35 2HZ LYS 35 -14.071 10.563 6.788
163 3HZ LYS 35 3HZ LYS 35 -12.505 11.055 7.201
164 H GLN 36 H GLN 36 -7.503 3.828 5.071
165 HA GLN 36 HA GLN 36 -5.426 4.264 7.133
166 1HB GLN 36 2HB GLN 36 -6.755 2.222 7.547
167 2HB GLN 36 1HB GLN 36 -6.291 1.624 5.962
168 1HG GLN 36 2HG GLN 36 -4.979 0.631 7.789
169 2HG GLN 36 1HG GLN 36 -3.987 1.496 6.616
170 1HE2 GLN 36 1HE2 GLN 36 -2.979 3.404 7.215
171 2HE2 GLN 36 2HE2 GLN 36 -2.819 3.889 8.865
172 H SER 37 H SER 37 -3.899 5.282 6.049
173 HA SER 37 HA SER 37 -2.991 4.211 3.473
174 1HB SER 37 2HB SER 37 -1.768 6.380 3.258
175 2HB SER 37 1HB SER 37 -3.514 6.573 3.405
176 HG SER 37 HG SER 37 -3.250 7.176 5.534
177 H THR 38 H THR 38 -1.398 2.728 3.681
178 HA THR 38 HA THR 38 1.071 3.435 4.955
179 HB THR 38 HB THR 38 -0.142 2.757 6.964
180 HG1 THR 38 1HG THR 38 1.286 0.771 7.366
181 1HG2 THR 38 1HG2 THR 38 -0.936 0.447 7.231
182 2HG2 THR 38 2HG2 THR 38 -0.547 0.125 5.542
183 3HG2 THR 38 3HG2 THR 38 -1.806 1.292 5.950
184 H TRP 39 H TRP 39 2.677 1.549 4.838
185 HA TRP 39 HA TRP 39 2.150 0.085 2.340
186 1HB TRP 39 2HB TRP 39 4.824 -0.153 3.564
187 2HB TRP 39 1HB TRP 39 4.388 0.159 1.889
188 HD1 TRP 39 HD TRP 39 5.093 1.899 5.186
189 HE1 TRP 39 1HE TRP 39 5.771 4.347 4.692
190 HE3 TRP 39 3HE TRP 39 4.121 1.995 0.191
191 HZ2 TRP 39 2HZ TRP 39 5.866 6.062 2.463
192 HZ3 TRP 39 3HZ TRP 39 4.538 4.072 -1.058
193 HH2 TRP 39 HH TRP 39 5.392 6.066 0.056
194 H GLU 40 H GLU 40 1.082 -1.767 2.906
195 HA GLU 40 HA GLU 40 2.530 -3.830 4.210
196 1HB GLU 40 2HB GLU 40 1.702 -3.839 6.304
197 2HB GLU 40 1HB GLU 40 1.259 -2.169 5.985
198 1HG GLU 40 2HG GLU 40 -0.969 -2.964 5.230
199 2HG GLU 40 1HG GLU 40 -0.507 -4.590 5.728
200 H LYS 41 H LYS 41 1.180 -5.852 4.371
201 HA LYS 41 HA LYS 41 -0.212 -6.291 1.970
202 1HB LYS 41 2HB LYS 41 -0.844 -8.428 3.367
203 2HB LYS 41 1HB LYS 41 0.778 -8.217 2.751
204 1HG LYS 41 2HG LYS 41 0.183 -7.147 5.429
205 2HG LYS 41 1HG LYS 41 0.215 -8.897 5.266
206 1HD LYS 41 2HD LYS 41 2.437 -7.079 4.343
207 2HD LYS 41 1HD LYS 41 2.403 -7.870 5.922
208 1HE LYS 41 2HE LYS 41 2.358 -9.265 3.248
209 2HE LYS 41 1HE LYS 41 3.761 -9.118 4.306
210 1HZ LYS 41 1HZ LYS 41 1.227 -10.518 4.979
211 2HZ LYS 41 2HZ LYS 41 2.577 -10.385 5.989
212 3HZ LYS 41 3HZ LYS 41 2.684 -11.267 4.550
213 HA PRO 42 HA PRO 42 -4.076 -4.804 3.817
214 1HB PRO 42 2HB PRO 42 -5.189 -4.378 1.241
215 2HB PRO 42 1HB PRO 42 -4.495 -3.171 2.322
216 1HG PRO 42 2HG PRO 42 -3.443 -3.966 -0.134
217 2HG PRO 42 1HG PRO 42 -2.583 -3.060 1.120
218 1HD PRO 42 2HD PRO 42 -2.470 -5.965 0.464
219 2HD PRO 42 1HD PRO 42 -1.194 -4.892 1.075
Start of MODEL 11
1 H SER 15 H SER 15 -8.702 -3.268 -2.457
2 HA SER 15 HA SER 15 -10.158 -2.454 -4.787
3 1HB SER 15 2HB SER 15 -11.379 -4.505 -4.289
4 2HB SER 15 1HB SER 15 -11.580 -4.001 -2.612
5 HG SER 15 HG SER 15 -13.156 -2.709 -3.186
6 H MET 16 H MET 16 -10.821 -2.630 -1.292
7 HA MET 16 HA MET 16 -11.674 0.072 -1.121
8 1HB MET 16 2HB MET 16 -10.761 -1.794 1.081
9 2HB MET 16 1HB MET 16 -11.653 -0.296 1.306
10 1HG MET 16 2HG MET 16 -13.574 -1.203 0.198
11 2HG MET 16 1HG MET 16 -12.686 -2.663 -0.232
12 1HE MET 16 1HE MET 16 -12.463 -0.852 3.353
13 2HE MET 16 2HE MET 16 -13.936 -1.516 4.060
14 3HE MET 16 3HE MET 16 -14.031 -0.465 2.647
15 H TRP 17 H TRP 17 -8.619 -1.322 -1.363
16 HA TRP 17 HA TRP 17 -7.325 0.996 -0.095
17 1HB TRP 17 2HB TRP 17 -6.080 -1.656 -0.845
18 2HB TRP 17 1HB TRP 17 -5.292 -0.338 0.011
19 HD1 TRP 17 HD TRP 17 -8.370 -2.657 0.589
20 HE1 TRP 17 1HE TRP 17 -8.446 -3.196 3.105
21 HE3 TRP 17 3HE TRP 17 -4.408 0.154 2.128
22 HZ2 TRP 17 2HZ TRP 17 -7.012 -2.509 5.443
23 HZ3 TRP 17 3HZ TRP 17 -3.817 0.162 4.510
24 HH2 TRP 17 HH TRP 17 -5.090 -1.142 6.140
25 H THR 18 H THR 18 -6.514 2.500 -1.382
26 HA THR 18 HA THR 18 -5.978 1.825 -4.184
27 HB THR 18 HB THR 18 -5.944 4.339 -4.490
28 HG1 THR 18 1HG THR 18 -7.078 4.281 -1.877
29 1HG2 THR 18 1HG2 THR 18 -8.395 4.561 -4.440
30 2HG2 THR 18 2HG2 THR 18 -8.496 3.087 -3.476
31 3HG2 THR 18 3HG2 THR 18 -7.887 3.019 -5.130
32 H GLU 19 H GLU 19 -3.879 1.434 -4.625
33 HA GLU 19 HA GLU 19 -1.866 2.665 -2.919
34 1HB GLU 19 2HB GLU 19 -0.367 0.950 -3.574
35 2HB GLU 19 1HB GLU 19 -1.914 0.176 -3.265
36 1HG GLU 19 2HG GLU 19 -2.332 0.280 -5.746
37 2HG GLU 19 1HG GLU 19 -0.646 0.771 -5.920
38 H HIS 20 H HIS 20 -0.438 4.097 -3.557
39 HA HIS 20 HA HIS 20 0.187 4.540 -6.352
40 1HB HIS 20 2HB HIS 20 -0.879 6.831 -4.685
41 2HB HIS 20 1HB HIS 20 -0.422 6.874 -6.383
42 HD1 HIS 20 1HD HIS 20 -2.107 5.877 -8.088
43 HD2 HIS 20 2HD HIS 20 -3.434 5.843 -4.147
44 HE1 HIS 20 1HE HIS 20 -4.570 5.382 -8.212
45 HE2 HIS 20 2HE HIS 20 -5.359 5.400 -5.819
46 H LYS 21 H LYS 21 2.006 6.113 -6.571
47 HA LYS 21 HA LYS 21 4.142 5.569 -4.977
48 1HB LYS 21 2HB LYS 21 3.643 8.174 -6.418
49 2HB LYS 21 1HB LYS 21 5.212 7.561 -5.903
50 1HG LYS 21 2HG LYS 21 5.381 6.594 -7.887
51 2HG LYS 21 1HG LYS 21 4.101 5.494 -7.356
52 1HD LYS 21 2HD LYS 21 2.417 7.034 -8.255
53 2HD LYS 21 1HD LYS 21 3.702 8.113 -8.804
54 1HE LYS 21 2HE LYS 21 3.252 5.273 -9.717
55 2HE LYS 21 1HE LYS 21 2.870 6.729 -10.634
56 1HZ LYS 21 1HZ LYS 21 4.965 5.773 -11.344
57 2HZ LYS 21 2HZ LYS 21 5.585 5.886 -9.775
58 3HZ LYS 21 3HZ LYS 21 5.224 7.291 -10.644
59 H SER 22 H SER 22 5.340 6.760 -3.440
60 HA SER 22 HA SER 22 4.292 8.965 -2.006
61 1HB SER 22 2HB SER 22 3.620 6.219 -1.088
62 2HB SER 22 1HB SER 22 4.125 7.363 0.153
63 HG SER 22 HG SER 22 2.497 8.803 -0.842
64 HA PRO 23 HA PRO 23 8.251 9.652 -0.107
65 1HB PRO 23 2HB PRO 23 7.312 8.175 2.328
66 2HB PRO 23 1HB PRO 23 8.259 9.664 2.218
67 1HG PRO 23 2HG PRO 23 5.615 9.704 2.686
68 2HG PRO 23 1HG PRO 23 6.421 10.962 1.731
69 1HD PRO 23 2HD PRO 23 4.560 8.869 0.863
70 2HD PRO 23 1HD PRO 23 5.048 10.350 0.024
71 H ASP 24 H ASP 24 10.222 8.652 0.188
72 HA ASP 24 HA ASP 24 11.810 7.033 0.143
73 1HB ASP 24 2HB ASP 24 10.353 6.006 1.976
74 2HB ASP 24 1HB ASP 24 9.689 4.969 0.717
75 H GLY 25 H GLY 25 9.549 7.517 -2.028
76 1HA GLY 25 2HA GLY 25 9.295 6.961 -4.235
77 2HA GLY 25 1HA GLY 25 10.883 6.218 -4.120
78 H ARG 26 H ARG 26 7.784 5.471 -2.583
79 HA ARG 26 HA ARG 26 7.620 2.982 -4.076
80 1HB ARG 26 2HB ARG 26 7.018 1.841 -1.798
81 2HB ARG 26 1HB ARG 26 8.693 1.994 -2.293
82 1HG ARG 26 2HG ARG 26 8.700 4.139 -0.910
83 2HG ARG 26 1HG ARG 26 7.221 3.508 -0.189
84 1HD ARG 26 2HD ARG 26 9.906 2.151 -0.246
85 2HD ARG 26 1HD ARG 26 9.124 2.881 1.153
86 HE ARG 26 HE ARG 26 7.309 1.067 0.402
87 1HH1 ARG 26 1HH1 ARG 26 10.753 0.829 0.867
88 2HH1 ARG 26 2HH1 ARG 26 10.703 -0.835 1.346
89 1HH2 ARG 26 1HH2 ARG 26 7.232 -1.123 1.031
90 2HH2 ARG 26 2HH2 ARG 26 8.702 -1.945 1.439
91 H THR 27 H THR 27 5.464 1.867 -3.559
92 HA THR 27 HA THR 27 3.468 4.016 -3.456
93 HB THR 27 HB THR 27 3.378 2.803 -5.525
94 HG1 THR 27 1HG THR 27 1.343 2.974 -3.840
95 1HG2 THR 27 1HG2 THR 27 4.439 0.732 -4.960
96 2HG2 THR 27 2HG2 THR 27 2.810 0.359 -5.528
97 3HG2 THR 27 3HG2 THR 27 3.170 0.334 -3.801
98 H TYR 28 H TYR 28 2.081 4.175 -1.857
99 HA TYR 28 HA TYR 28 1.874 1.957 0.052
100 1HB TYR 28 2HB TYR 28 1.154 3.539 1.709
101 2HB TYR 28 1HB TYR 28 2.596 4.172 0.957
102 HD1 TYR 28 1HD TYR 28 1.108 5.938 2.567
103 HD2 TYR 28 2HD TYR 28 0.386 4.951 -1.509
104 HE1 TYR 28 1HE TYR 28 -0.037 8.086 2.250
105 HE2 TYR 28 2HE TYR 28 -0.757 7.096 -1.832
106 HH TYR 28 HH TYR 28 -1.913 8.787 -0.491
107 H TYR 29 H TYR 29 -0.218 1.462 0.974
108 HA TYR 29 HA TYR 29 -2.343 1.845 -1.012
109 1HB TYR 29 2HB TYR 29 -2.603 -0.134 1.204
110 2HB TYR 29 1HB TYR 29 -3.246 -0.200 -0.423
111 HD1 TYR 29 1HD TYR 29 -2.098 -1.345 -2.135
112 HD2 TYR 29 2HD TYR 29 -0.136 -0.586 1.562
113 HE1 TYR 29 1HE TYR 29 -0.266 -2.841 -2.805
114 HE2 TYR 29 2HE TYR 29 1.702 -2.075 0.901
115 HH TYR 29 HH TYR 29 2.071 -3.974 -0.637
116 H TYR 30 H TYR 30 -3.707 3.383 -0.548
117 HA TYR 30 HA TYR 30 -4.205 4.087 2.249
118 1HB TYR 30 2HB TYR 30 -3.506 6.022 1.141
119 2HB TYR 30 1HB TYR 30 -4.366 5.606 -0.337
120 HD1 TYR 30 1HD TYR 30 -6.191 6.910 -0.833
121 HD2 TYR 30 2HD TYR 30 -5.202 6.285 3.258
122 HE1 TYR 30 1HE TYR 30 -8.057 8.365 -0.165
123 HE2 TYR 30 2HE TYR 30 -7.066 7.739 3.936
124 HH TYR 30 HH TYR 30 -9.488 8.757 1.764
125 H ASN 31 H ASN 31 -5.894 3.045 3.044
126 HA ASN 31 HA ASN 31 -8.026 2.034 1.464
127 1HB ASN 31 2HB ASN 31 -7.214 1.174 3.747
128 2HB ASN 31 1HB ASN 31 -8.113 2.518 4.445
129 1HD2 ASN 31 1HD2 ASN 31 -10.249 2.388 2.481
130 2HD2 ASN 31 2HD2 ASN 31 -11.183 0.998 2.885
131 H THR 32 H THR 32 -9.506 3.276 0.540
132 HA THR 32 HA THR 32 -9.926 5.991 1.243
133 HB THR 32 HB THR 32 -11.846 5.853 -0.375
134 HG1 THR 32 1HG THR 32 -11.693 3.300 0.112
135 1HG2 THR 32 1HG2 THR 32 -9.206 4.752 -1.347
136 2HG2 THR 32 2HG2 THR 32 -9.573 6.458 -1.089
137 3HG2 THR 32 3HG2 THR 32 -10.426 5.552 -2.338
138 H GLU 33 H GLU 33 -11.864 3.055 1.753
139 HA GLU 33 HA GLU 33 -14.043 4.397 2.968
140 1HB GLU 33 2HB GLU 33 -14.473 2.282 2.007
141 2HB GLU 33 1HB GLU 33 -13.147 1.533 2.881
142 1HG GLU 33 2HG GLU 33 -15.220 0.820 3.842
143 2HG GLU 33 1HG GLU 33 -14.398 1.876 4.987
144 H THR 34 H THR 34 -11.323 2.580 4.274
145 HA THR 34 HA THR 34 -12.082 3.127 7.000
146 HB THR 34 HB THR 34 -9.603 1.817 5.875
147 HG1 THR 34 1HG THR 34 -12.084 0.862 6.844
148 1HG2 THR 34 1HG2 THR 34 -10.563 2.135 8.715
149 2HG2 THR 34 2HG2 THR 34 -9.033 2.681 8.024
150 3HG2 THR 34 3HG2 THR 34 -9.346 0.957 8.222
151 H LYS 35 H LYS 35 -9.633 4.249 4.729
152 HA LYS 35 HA LYS 35 -8.506 6.227 4.616
153 1HB LYS 35 2HB LYS 35 -9.628 6.842 7.368
154 2HB LYS 35 1HB LYS 35 -8.715 7.951 6.359
155 1HG LYS 35 2HG LYS 35 -10.482 7.949 4.704
156 2HG LYS 35 1HG LYS 35 -11.391 6.768 5.653
157 1HD LYS 35 2HD LYS 35 -11.509 8.383 7.505
158 2HD LYS 35 1HD LYS 35 -10.654 9.565 6.513
159 1HE LYS 35 2HE LYS 35 -12.474 9.485 4.869
160 2HE LYS 35 1HE LYS 35 -13.330 8.324 5.882
161 1HZ LYS 35 1HZ LYS 35 -14.168 10.564 6.203
162 2HZ LYS 35 2HZ LYS 35 -12.632 11.106 6.653
163 3HZ LYS 35 3HZ LYS 35 -13.454 9.993 7.626
164 H GLN 36 H GLN 36 -7.376 4.000 5.022
165 HA GLN 36 HA GLN 36 -5.345 4.550 7.099
166 1HB GLN 36 2HB GLN 36 -6.994 2.547 7.428
167 2HB GLN 36 1HB GLN 36 -5.991 1.753 6.226
168 1HG GLN 36 2HG GLN 36 -4.903 2.953 8.756
169 2HG GLN 36 1HG GLN 36 -5.416 1.273 8.613
170 1HE2 GLN 36 1HE2 GLN 36 -3.050 3.639 7.709
171 2HE2 GLN 36 2HE2 GLN 36 -1.887 2.532 7.073
172 H SER 37 H SER 37 -3.762 5.382 5.911
173 HA SER 37 HA SER 37 -2.924 4.006 3.458
174 1HB SER 37 2HB SER 37 -1.654 6.079 2.971
175 2HB SER 37 1HB SER 37 -3.375 6.384 3.189
176 HG SER 37 HG SER 37 -2.765 6.881 5.446
177 H THR 38 H THR 38 -1.317 2.595 3.665
178 HA THR 38 HA THR 38 1.156 3.289 4.925
179 HB THR 38 HB THR 38 -0.219 2.588 6.907
180 HG1 THR 38 1HG THR 38 1.454 1.329 7.734
181 1HG2 THR 38 1HG2 THR 38 -0.746 0.226 7.195
182 2HG2 THR 38 2HG2 THR 38 -0.126 -0.126 5.581
183 3HG2 THR 38 3HG2 THR 38 -1.570 0.868 5.773
184 H TRP 39 H TRP 39 2.698 1.316 4.840
185 HA TRP 39 HA TRP 39 2.158 -0.067 2.303
186 1HB TRP 39 2HB TRP 39 4.782 -0.438 3.631
187 2HB TRP 39 1HB TRP 39 4.425 -0.132 1.935
188 HD1 TRP 39 HD TRP 39 5.103 1.610 5.222
189 HE1 TRP 39 1HE TRP 39 5.811 4.047 4.753
190 HE3 TRP 39 3HE TRP 39 4.211 1.724 0.217
191 HZ2 TRP 39 2HZ TRP 39 5.979 5.760 2.527
192 HZ3 TRP 39 3HZ TRP 39 4.676 3.799 -1.016
193 HH2 TRP 39 HH TRP 39 5.543 5.776 0.118
194 H GLU 40 H GLU 40 0.972 -1.857 2.759
195 HA GLU 40 HA GLU 40 2.212 -4.013 4.156
196 1HB GLU 40 2HB GLU 40 0.823 -4.199 6.036
197 2HB GLU 40 1HB GLU 40 1.174 -2.475 5.955
198 1HG GLU 40 2HG GLU 40 -1.014 -2.180 6.146
199 2HG GLU 40 1HG GLU 40 -1.105 -2.682 4.459
200 H LYS 41 H LYS 41 1.246 -5.979 3.642
201 HA LYS 41 HA LYS 41 -0.190 -6.170 1.285
202 1HB LYS 41 2HB LYS 41 -0.710 -8.518 2.570
203 2HB LYS 41 1HB LYS 41 0.734 -8.190 1.637
204 1HG LYS 41 2HG LYS 41 1.998 -7.770 3.563
205 2HG LYS 41 1HG LYS 41 0.556 -7.595 4.567
206 1HD LYS 41 2HD LYS 41 1.540 -9.714 5.069
207 2HD LYS 41 1HD LYS 41 0.071 -10.014 4.137
208 1HE LYS 41 2HE LYS 41 1.383 -10.342 2.124
209 2HE LYS 41 1HE LYS 41 2.863 -9.949 2.997
210 1HZ LYS 41 1HZ LYS 41 2.500 -11.896 4.395
211 2HZ LYS 41 2HZ LYS 41 2.606 -12.329 2.763
212 3HZ LYS 41 3HZ LYS 41 1.098 -12.278 3.528
213 HA PRO 42 HA PRO 42 -4.139 -5.120 3.250
214 1HB PRO 42 2HB PRO 42 -5.193 -4.581 0.625
215 2HB PRO 42 1HB PRO 42 -4.795 -3.435 1.906
216 1HG PRO 42 2HG PRO 42 -3.434 -3.626 -0.470
217 2HG PRO 42 1HG PRO 42 -2.757 -2.967 1.028
218 1HD PRO 42 2HD PRO 42 -2.397 -5.677 -0.188
219 2HD PRO 42 1HD PRO 42 -1.212 -4.649 0.647
Start of MODEL 12
1 H SER 15 H SER 15 -8.579 -3.130 -2.765
2 HA SER 15 HA SER 15 -10.089 -2.318 -5.043
3 1HB SER 15 2HB SER 15 -11.305 -4.364 -4.637
4 2HB SER 15 1HB SER 15 -11.440 -3.991 -2.920
5 HG SER 15 HG SER 15 -13.124 -3.347 -4.830
6 H MET 16 H MET 16 -10.800 -2.594 -1.569
7 HA MET 16 HA MET 16 -11.720 0.065 -1.325
8 1HB MET 16 2HB MET 16 -10.762 -1.869 0.792
9 2HB MET 16 1HB MET 16 -11.612 -0.366 1.117
10 1HG MET 16 2HG MET 16 -13.593 -1.166 0.077
11 2HG MET 16 1HG MET 16 -12.758 -2.587 -0.550
12 1HE MET 16 1HE MET 16 -13.434 -1.927 3.970
13 2HE MET 16 2HE MET 16 -13.878 -0.732 2.751
14 3HE MET 16 3HE MET 16 -12.180 -1.112 3.037
15 H TRP 17 H TRP 17 -8.592 -1.204 -1.551
16 HA TRP 17 HA TRP 17 -7.440 1.160 -0.232
17 1HB TRP 17 2HB TRP 17 -6.027 -1.411 -0.954
18 2HB TRP 17 1HB TRP 17 -5.369 -0.073 -0.020
19 HD1 TRP 17 HD TRP 17 -8.366 -2.538 0.307
20 HE1 TRP 17 1HE TRP 17 -8.583 -3.144 2.798
21 HE3 TRP 17 3HE TRP 17 -4.616 0.372 2.165
22 HZ2 TRP 17 2HZ TRP 17 -7.329 -2.462 5.237
23 HZ3 TRP 17 3HZ TRP 17 -4.181 0.340 4.579
24 HH2 TRP 17 HH TRP 17 -5.507 -1.050 6.090
25 H THR 18 H THR 18 -6.372 2.626 -1.381
26 HA THR 18 HA THR 18 -5.972 2.104 -4.232
27 HB THR 18 HB THR 18 -5.749 4.603 -4.402
28 HG1 THR 18 1HG THR 18 -6.843 4.639 -1.782
29 1HG2 THR 18 1HG2 THR 18 -8.331 3.545 -3.252
30 2HG2 THR 18 2HG2 THR 18 -7.856 3.514 -4.951
31 3HG2 THR 18 3HG2 THR 18 -8.156 5.054 -4.147
32 H GLU 19 H GLU 19 -3.912 1.932 -5.009
33 HA GLU 19 HA GLU 19 -1.755 2.548 -3.142
34 1HB GLU 19 2HB GLU 19 -0.462 0.906 -4.162
35 2HB GLU 19 1HB GLU 19 -2.075 0.222 -4.155
36 1HG GLU 19 2HG GLU 19 -0.651 1.476 -6.485
37 2HG GLU 19 1HG GLU 19 -1.002 -0.234 -6.252
38 H HIS 20 H HIS 20 -0.317 4.084 -3.484
39 HA HIS 20 HA HIS 20 0.228 5.105 -6.153
40 1HB HIS 20 2HB HIS 20 -0.814 6.919 -3.964
41 2HB HIS 20 1HB HIS 20 -0.212 7.442 -5.532
42 HD1 HIS 20 1HD HIS 20 -1.715 6.761 -7.627
43 HD2 HIS 20 2HD HIS 20 -3.459 6.204 -3.895
44 HE1 HIS 20 1HE HIS 20 -4.176 6.493 -8.069
45 HE2 HIS 20 2HE HIS 20 -5.222 6.268 -5.787
46 H LYS 21 H LYS 21 2.317 5.841 -6.326
47 HA LYS 21 HA LYS 21 4.207 5.231 -4.445
48 1HB LYS 21 2HB LYS 21 4.377 7.408 -6.523
49 2HB LYS 21 1HB LYS 21 5.747 6.742 -5.644
50 1HG LYS 21 2HG LYS 21 3.964 5.318 -7.571
51 2HG LYS 21 1HG LYS 21 5.658 5.732 -7.806
52 1HD LYS 21 2HD LYS 21 6.178 4.252 -5.854
53 2HD LYS 21 1HD LYS 21 4.481 3.761 -5.862
54 1HE LYS 21 2HE LYS 21 6.458 3.405 -8.111
55 2HE LYS 21 1HE LYS 21 5.845 2.135 -7.051
56 1HZ LYS 21 1HZ LYS 21 3.630 2.519 -7.922
57 2HZ LYS 21 2HZ LYS 21 4.699 2.162 -9.183
58 3HZ LYS 21 3HZ LYS 21 4.202 3.758 -8.922
59 H SER 22 H SER 22 5.637 6.552 -3.237
60 HA SER 22 HA SER 22 4.969 9.188 -2.422
61 1HB SER 22 2HB SER 22 3.807 6.921 -0.974
62 2HB SER 22 1HB SER 22 4.717 8.013 0.067
63 HG SER 22 HG SER 22 2.725 8.885 -0.012
64 HA PRO 23 HA PRO 23 8.987 9.804 -0.603
65 1HB PRO 23 2HB PRO 23 8.251 8.763 2.053
66 2HB PRO 23 1HB PRO 23 8.901 10.339 1.602
67 1HG PRO 23 2HG PRO 23 6.157 9.599 2.080
68 2HG PRO 23 1HG PRO 23 6.820 11.203 1.728
69 1HD PRO 23 2HD PRO 23 5.171 9.823 0.033
70 2HD PRO 23 1HD PRO 23 6.342 11.032 -0.512
71 H ASP 24 H ASP 24 10.826 8.653 -0.387
72 HA ASP 24 HA ASP 24 12.254 6.899 -0.176
73 1HB ASP 24 2HB ASP 24 10.811 6.174 1.761
74 2HB ASP 24 1HB ASP 24 9.907 5.170 0.634
75 H GLY 25 H GLY 25 9.564 7.060 -2.160
76 1HA GLY 25 2HA GLY 25 9.334 6.482 -4.377
77 2HA GLY 25 1HA GLY 25 10.907 5.701 -4.276
78 H ARG 26 H ARG 26 7.706 5.264 -2.837
79 HA ARG 26 HA ARG 26 7.455 2.655 -4.048
80 1HB ARG 26 2HB ARG 26 7.006 1.558 -1.838
81 2HB ARG 26 1HB ARG 26 8.683 1.996 -2.103
82 1HG ARG 26 2HG ARG 26 7.605 4.199 -0.840
83 2HG ARG 26 1HG ARG 26 6.843 2.824 -0.042
84 1HD ARG 26 2HD ARG 26 9.755 3.477 -0.280
85 2HD ARG 26 1HD ARG 26 8.794 3.217 1.171
86 HE ARG 26 HE ARG 26 8.923 0.895 -0.491
87 1HH1 ARG 26 1HH1 ARG 26 10.589 2.719 1.968
88 2HH1 ARG 26 2HH1 ARG 26 11.514 1.366 2.526
89 1HH2 ARG 26 1HH2 ARG 26 10.144 -0.889 0.235
90 2HH2 ARG 26 2HH2 ARG 26 11.259 -0.684 1.545
91 H THR 27 H THR 27 5.231 1.722 -3.464
92 HA THR 27 HA THR 27 3.396 4.010 -3.423
93 HB THR 27 HB THR 27 3.193 2.652 -5.415
94 HG1 THR 27 1HG THR 27 1.131 3.040 -5.235
95 1HG2 THR 27 1HG2 THR 27 2.715 0.364 -3.508
96 2HG2 THR 27 2HG2 THR 27 4.031 0.530 -4.671
97 3HG2 THR 27 3HG2 THR 27 2.375 0.296 -5.238
98 H TYR 28 H TYR 28 1.833 4.246 -1.969
99 HA TYR 28 HA TYR 28 1.760 2.319 0.248
100 1HB TYR 28 2HB TYR 28 0.886 4.103 1.625
101 2HB TYR 28 1HB TYR 28 2.328 4.681 0.803
102 HD1 TYR 28 1HD TYR 28 -1.354 4.893 0.912
103 HD2 TYR 28 2HD TYR 28 2.210 6.498 -0.763
104 HE1 TYR 28 1HE TYR 28 -2.624 6.815 0.055
105 HE2 TYR 28 2HE TYR 28 0.947 8.420 -1.624
106 HH TYR 28 HH TYR 28 -2.190 9.156 -0.624
107 H TYR 29 H TYR 29 -0.251 1.803 1.217
108 HA TYR 29 HA TYR 29 -2.445 1.740 -0.728
109 1HB TYR 29 2HB TYR 29 -1.871 -0.007 1.667
110 2HB TYR 29 1HB TYR 29 -3.288 -0.150 0.641
111 HD1 TYR 29 1HD TYR 29 -0.107 -1.419 1.246
112 HD2 TYR 29 2HD TYR 29 -2.681 -0.356 -1.970
113 HE1 TYR 29 1HE TYR 29 1.155 -2.909 -0.247
114 HE2 TYR 29 2HE TYR 29 -1.426 -1.846 -3.473
115 HH TYR 29 HH TYR 29 0.793 -4.143 -2.350
116 H TYR 30 H TYR 30 -3.842 3.340 -0.381
117 HA TYR 30 HA TYR 30 -4.478 4.090 2.381
118 1HB TYR 30 2HB TYR 30 -3.786 6.005 1.180
119 2HB TYR 30 1HB TYR 30 -4.732 5.560 -0.236
120 HD1 TYR 30 1HD TYR 30 -6.601 6.851 -0.617
121 HD2 TYR 30 2HD TYR 30 -5.360 6.217 3.403
122 HE1 TYR 30 1HE TYR 30 -8.451 8.265 0.171
123 HE2 TYR 30 2HE TYR 30 -7.205 7.630 4.201
124 HH TYR 30 HH TYR 30 -9.775 8.608 2.195
125 H ASN 31 H ASN 31 -6.127 2.924 3.119
126 HA ASN 31 HA ASN 31 -8.186 1.866 1.458
127 1HB ASN 31 2HB ASN 31 -7.350 1.009 3.772
128 2HB ASN 31 1HB ASN 31 -8.410 2.242 4.444
129 1HD2 ASN 31 1HD2 ASN 31 -10.285 1.831 2.139
130 2HD2 ASN 31 2HD2 ASN 31 -11.154 0.395 2.537
131 H THR 32 H THR 32 -9.686 3.122 0.547
132 HA THR 32 HA THR 32 -10.192 5.783 1.388
133 HB THR 32 HB THR 32 -12.009 5.765 -0.294
134 HG1 THR 32 1HG THR 32 -12.858 3.835 -0.575
135 1HG2 THR 32 1HG2 THR 32 -10.585 5.416 -2.241
136 2HG2 THR 32 2HG2 THR 32 -9.441 4.501 -1.260
137 3HG2 THR 32 3HG2 THR 32 -9.682 6.221 -0.957
138 H GLU 33 H GLU 33 -11.988 2.753 1.852
139 HA GLU 33 HA GLU 33 -14.225 4.072 3.059
140 1HB GLU 33 2HB GLU 33 -14.704 2.053 1.936
141 2HB GLU 33 1HB GLU 33 -13.407 1.199 2.759
142 1HG GLU 33 2HG GLU 33 -14.617 1.078 4.767
143 2HG GLU 33 1HG GLU 33 -15.772 2.300 4.242
144 H THR 34 H THR 34 -11.312 2.538 4.209
145 HA THR 34 HA THR 34 -12.198 2.752 6.985
146 HB THR 34 HB THR 34 -9.659 1.577 5.839
147 HG1 THR 34 1HG THR 34 -10.681 -0.401 6.323
148 1HG2 THR 34 1HG2 THR 34 -9.377 0.598 8.098
149 2HG2 THR 34 2HG2 THR 34 -10.738 1.571 8.659
150 3HG2 THR 34 3HG2 THR 34 -9.263 2.357 8.094
151 H LYS 35 H LYS 35 -9.799 4.048 4.786
152 HA LYS 35 HA LYS 35 -8.754 6.071 4.750
153 1HB LYS 35 2HB LYS 35 -9.737 6.490 7.587
154 2HB LYS 35 1HB LYS 35 -8.967 7.693 6.565
155 1HG LYS 35 2HG LYS 35 -10.858 7.643 5.044
156 2HG LYS 35 1HG LYS 35 -11.625 6.388 6.021
157 1HD LYS 35 2HD LYS 35 -11.604 7.972 7.945
158 2HD LYS 35 1HD LYS 35 -11.011 9.222 6.850
159 1HE LYS 35 2HE LYS 35 -13.401 9.439 7.105
160 2HE LYS 35 1HE LYS 35 -13.027 8.920 5.462
161 1HZ LYS 35 1HZ LYS 35 -13.963 7.169 7.672
162 2HZ LYS 35 2HZ LYS 35 -13.564 6.643 6.115
163 3HZ LYS 35 3HZ LYS 35 -14.883 7.676 6.345
164 H GLN 36 H GLN 36 -7.538 3.820 5.023
165 HA GLN 36 HA GLN 36 -5.479 4.344 7.082
166 1HB GLN 36 2HB GLN 36 -6.736 2.285 7.545
167 2HB GLN 36 1HB GLN 36 -6.317 1.676 5.952
168 1HG GLN 36 2HG GLN 36 -4.930 0.693 7.702
169 2HG GLN 36 1HG GLN 36 -3.976 1.621 6.547
170 1HE2 GLN 36 1HE2 GLN 36 -3.031 3.552 7.191
171 2HE2 GLN 36 2HE2 GLN 36 -2.859 3.985 8.854
172 H SER 37 H SER 37 -3.975 5.381 5.991
173 HA SER 37 HA SER 37 -3.051 4.314 3.420
174 1HB SER 37 2HB SER 37 -3.578 6.636 3.250
175 2HB SER 37 1HB SER 37 -2.702 7.014 4.732
176 HG SER 37 HG SER 37 -1.025 7.308 3.521
177 H THR 38 H THR 38 -1.460 2.829 3.696
178 HA THR 38 HA THR 38 1.021 3.611 4.902
179 HB THR 38 HB THR 38 -0.119 3.024 6.962
180 HG1 THR 38 1HG THR 38 1.590 1.950 7.628
181 1HG2 THR 38 1HG2 THR 38 -1.865 1.586 6.055
182 2HG2 THR 38 2HG2 THR 38 -0.985 0.749 7.334
183 3HG2 THR 38 3HG2 THR 38 -0.665 0.362 5.643
184 H TRP 39 H TRP 39 2.626 1.692 4.845
185 HA TRP 39 HA TRP 39 2.057 0.200 2.381
186 1HB TRP 39 2HB TRP 39 4.715 -0.165 3.569
187 2HB TRP 39 1HB TRP 39 4.279 0.231 1.915
188 HD1 TRP 39 HD TRP 39 5.201 1.788 5.241
189 HE1 TRP 39 1HE TRP 39 6.001 4.213 4.818
190 HE3 TRP 39 3HE TRP 39 3.976 2.178 0.314
191 HZ2 TRP 39 2HZ TRP 39 6.108 6.015 2.655
192 HZ3 TRP 39 3HZ TRP 39 4.460 4.281 -0.867
193 HH2 TRP 39 HH TRP 39 5.502 6.162 0.286
194 H GLU 40 H GLU 40 0.949 -1.609 2.928
195 HA GLU 40 HA GLU 40 2.300 -3.695 4.314
196 1HB GLU 40 2HB GLU 40 1.145 -3.829 6.296
197 2HB GLU 40 1HB GLU 40 1.160 -2.082 6.080
198 1HG GLU 40 2HG GLU 40 -1.092 -2.180 5.138
199 2HG GLU 40 1HG GLU 40 -1.109 -3.927 5.367
200 H LYS 41 H LYS 41 0.964 -5.689 4.356
201 HA LYS 41 HA LYS 41 -0.336 -6.115 1.907
202 1HB LYS 41 2HB LYS 41 -1.053 -8.234 3.408
203 2HB LYS 41 1HB LYS 41 0.505 -8.099 2.620
204 1HG LYS 41 2HG LYS 41 1.576 -7.551 4.608
205 2HG LYS 41 1HG LYS 41 0.069 -7.076 5.393
206 1HD LYS 41 2HD LYS 41 0.708 -9.165 6.332
207 2HD LYS 41 1HD LYS 41 -0.642 -9.486 5.242
208 1HE LYS 41 2HE LYS 41 1.109 -11.163 4.985
209 2HE LYS 41 1HE LYS 41 0.919 -10.213 3.511
210 1HZ LYS 41 1HZ LYS 41 2.848 -8.916 4.123
211 2HZ LYS 41 2HZ LYS 41 3.251 -10.557 4.092
212 3HZ LYS 41 3HZ LYS 41 3.014 -9.774 5.572
213 HA PRO 42 HA PRO 42 -4.272 -4.600 3.576
214 1HB PRO 42 2HB PRO 42 -5.271 -4.340 0.913
215 2HB PRO 42 1HB PRO 42 -4.733 -3.061 1.998
216 1HG PRO 42 2HG PRO 42 -3.463 -3.818 -0.346
217 2HG PRO 42 1HG PRO 42 -2.724 -2.887 0.966
218 1HD PRO 42 2HD PRO 42 -2.464 -5.784 0.318
219 2HD PRO 42 1HD PRO 42 -1.270 -4.666 1.007
Start of MODEL 13
1 H SER 15 H SER 15 -8.601 -2.933 -2.987
2 HA SER 15 HA SER 15 -10.097 -1.966 -5.233
3 1HB SER 15 2HB SER 15 -11.403 -3.819 -3.236
4 2HB SER 15 1HB SER 15 -12.308 -2.761 -4.317
5 HG SER 15 HG SER 15 -11.760 -5.086 -4.944
6 H MET 16 H MET 16 -10.609 -2.471 -1.742
7 HA MET 16 HA MET 16 -11.618 0.163 -1.338
8 1HB MET 16 2HB MET 16 -10.615 -1.869 0.666
9 2HB MET 16 1HB MET 16 -11.508 -0.408 1.064
10 1HG MET 16 2HG MET 16 -13.448 -1.226 -0.112
11 2HG MET 16 1HG MET 16 -12.559 -2.652 -0.642
12 1HE MET 16 1HE MET 16 -14.040 -0.738 2.478
13 2HE MET 16 2HE MET 16 -12.333 -0.929 2.877
14 3HE MET 16 3HE MET 16 -13.555 -1.813 3.790
15 H TRP 17 H TRP 17 -8.509 -1.069 -1.724
16 HA TRP 17 HA TRP 17 -7.317 1.204 -0.284
17 1HB TRP 17 2HB TRP 17 -5.936 -1.332 -1.177
18 2HB TRP 17 1HB TRP 17 -5.249 -0.049 -0.187
19 HD1 TRP 17 HD TRP 17 -8.241 -2.525 0.075
20 HE1 TRP 17 1HE TRP 17 -8.401 -3.264 2.531
21 HE3 TRP 17 3HE TRP 17 -4.456 0.290 1.988
22 HZ2 TRP 17 2HZ TRP 17 -7.089 -2.705 4.980
23 HZ3 TRP 17 3HZ TRP 17 -3.962 0.138 4.389
24 HH2 TRP 17 HH TRP 17 -5.249 -1.331 5.859
25 H THR 18 H THR 18 -6.228 2.709 -1.365
26 HA THR 18 HA THR 18 -5.817 2.293 -4.239
27 HB THR 18 HB THR 18 -5.688 4.814 -4.327
28 HG1 THR 18 1HG THR 18 -7.088 5.443 -2.218
29 1HG2 THR 18 1HG2 THR 18 -7.703 3.625 -5.016
30 2HG2 THR 18 2HG2 THR 18 -8.123 5.132 -4.202
31 3HG2 THR 18 3HG2 THR 18 -8.271 3.596 -3.346
32 H GLU 19 H GLU 19 -3.742 1.843 -4.730
33 HA GLU 19 HA GLU 19 -1.652 2.820 -2.962
34 1HB GLU 19 2HB GLU 19 -0.268 1.100 -3.789
35 2HB GLU 19 1HB GLU 19 -1.850 0.380 -3.554
36 1HG GLU 19 2HG GLU 19 -0.708 1.293 -6.185
37 2HG GLU 19 1HG GLU 19 -0.799 -0.373 -5.619
38 H HIS 20 H HIS 20 -0.205 4.281 -3.494
39 HA HIS 20 HA HIS 20 0.356 4.917 -6.285
40 1HB HIS 20 2HB HIS 20 -0.470 7.073 -4.331
41 2HB HIS 20 1HB HIS 20 -0.041 7.285 -6.023
42 HD1 HIS 20 1HD HIS 20 -1.826 6.594 -7.789
43 HD2 HIS 20 2HD HIS 20 -3.080 6.232 -3.840
44 HE1 HIS 20 1HE HIS 20 -4.321 6.304 -7.901
45 HE2 HIS 20 2HE HIS 20 -5.068 6.191 -5.497
46 H LYS 21 H LYS 21 2.424 5.715 -6.601
47 HA LYS 21 HA LYS 21 4.438 5.177 -4.863
48 1HB LYS 21 2HB LYS 21 4.468 7.508 -6.782
49 2HB LYS 21 1HB LYS 21 5.864 6.644 -6.155
50 1HG LYS 21 2HG LYS 21 5.764 5.357 -7.944
51 2HG LYS 21 1HG LYS 21 4.300 4.663 -7.259
52 1HD LYS 21 2HD LYS 21 4.619 6.667 -9.446
53 2HD LYS 21 1HD LYS 21 3.575 5.253 -9.352
54 1HE LYS 21 2HE LYS 21 2.102 6.418 -7.806
55 2HE LYS 21 1HE LYS 21 3.154 7.831 -7.846
56 1HZ LYS 21 1HZ LYS 21 1.719 6.704 -10.188
57 2HZ LYS 21 2HZ LYS 21 2.677 8.097 -10.182
58 3HZ LYS 21 3HZ LYS 21 1.230 8.065 -9.307
59 H SER 22 H SER 22 5.789 6.418 -3.491
60 HA SER 22 HA SER 22 4.928 9.016 -2.618
61 1HB SER 22 2HB SER 22 3.991 6.637 -1.272
62 2HB SER 22 1HB SER 22 4.951 7.638 -0.181
63 HG SER 22 HG SER 22 3.393 9.269 -1.535
64 HA PRO 23 HA PRO 23 8.725 10.453 -0.937
65 1HB PRO 23 2HB PRO 23 8.136 8.975 1.588
66 2HB PRO 23 1HB PRO 23 8.713 10.628 1.359
67 1HG PRO 23 2HG PRO 23 6.035 9.805 1.720
68 2HG PRO 23 1HG PRO 23 6.594 11.420 1.248
69 1HD PRO 23 2HD PRO 23 5.072 9.717 -0.338
70 2HD PRO 23 1HD PRO 23 6.029 11.077 -0.942
71 H ASP 24 H ASP 24 8.356 7.225 0.582
72 HA ASP 24 HA ASP 24 11.137 6.690 0.317
73 1HB ASP 24 2HB ASP 24 9.477 5.755 2.048
74 2HB ASP 24 1HB ASP 24 9.052 4.581 0.810
75 H GLY 25 H GLY 25 9.637 7.221 -2.212
76 1HA GLY 25 2HA GLY 25 9.566 6.462 -4.376
77 2HA GLY 25 1HA GLY 25 11.035 5.593 -3.946
78 H ARG 26 H ARG 26 7.884 5.116 -2.511
79 HA ARG 26 HA ARG 26 7.518 2.646 -4.032
80 1HB ARG 26 2HB ARG 26 6.834 1.532 -1.783
81 2HB ARG 26 1HB ARG 26 8.529 1.615 -2.224
82 1HG ARG 26 2HG ARG 26 8.663 3.690 -0.815
83 2HG ARG 26 1HG ARG 26 7.068 3.269 -0.205
84 1HD ARG 26 2HD ARG 26 9.497 1.494 -0.081
85 2HD ARG 26 1HD ARG 26 8.881 2.466 1.254
86 HE ARG 26 HE ARG 26 6.894 0.716 0.185
87 1HH1 ARG 26 1HH1 ARG 26 9.652 0.869 2.313
88 2HH1 ARG 26 2HH1 ARG 26 9.139 -0.470 3.283
89 1HH2 ARG 26 1HH2 ARG 26 6.213 -1.048 1.461
90 2HH2 ARG 26 2HH2 ARG 26 7.187 -1.559 2.799
91 H THR 27 H THR 27 5.285 1.684 -3.505
92 HA THR 27 HA THR 27 3.460 3.976 -3.465
93 HB THR 27 HB THR 27 3.314 2.607 -5.470
94 HG1 THR 27 1HG THR 27 1.261 3.069 -3.785
95 1HG2 THR 27 1HG2 THR 27 2.537 0.277 -5.364
96 2HG2 THR 27 2HG2 THR 27 2.623 0.335 -3.603
97 3HG2 THR 27 3HG2 THR 27 4.096 0.480 -4.562
98 H TYR 28 H TYR 28 2.044 4.281 -1.893
99 HA TYR 28 HA TYR 28 1.770 2.214 0.175
100 1HB TYR 28 2HB TYR 28 1.224 3.937 1.713
101 2HB TYR 28 1HB TYR 28 2.573 4.564 0.777
102 HD1 TYR 28 1HD TYR 28 2.163 6.300 -0.971
103 HD2 TYR 28 2HD TYR 28 -0.907 4.997 1.674
104 HE1 TYR 28 1HE TYR 28 0.835 8.289 -1.537
105 HE2 TYR 28 2HE TYR 28 -2.240 6.987 1.116
106 HH TYR 28 HH TYR 28 -1.556 8.979 -1.512
107 H TYR 29 H TYR 29 -0.308 1.694 0.989
108 HA TYR 29 HA TYR 29 -2.423 2.164 -0.994
109 1HB TYR 29 2HB TYR 29 -2.770 0.100 1.104
110 2HB TYR 29 1HB TYR 29 -3.242 0.069 -0.582
111 HD1 TYR 29 1HD TYR 29 -0.471 -0.496 1.774
112 HD2 TYR 29 2HD TYR 29 -1.753 -0.770 -2.272
113 HE1 TYR 29 1HE TYR 29 1.490 -1.886 1.252
114 HE2 TYR 29 2HE TYR 29 0.203 -2.159 -2.805
115 HH TYR 29 HH TYR 29 2.154 -3.571 -0.441
116 H TYR 30 H TYR 30 -3.900 3.568 -0.491
117 HA TYR 30 HA TYR 30 -4.395 4.210 2.321
118 1HB TYR 30 2HB TYR 30 -3.828 6.200 1.259
119 2HB TYR 30 1HB TYR 30 -4.631 5.750 -0.241
120 HD1 TYR 30 1HD TYR 30 -5.522 6.400 3.340
121 HD2 TYR 30 2HD TYR 30 -6.575 6.882 -0.753
122 HE1 TYR 30 1HE TYR 30 -7.478 7.732 4.007
123 HE2 TYR 30 2HE TYR 30 -8.532 8.217 -0.099
124 HH TYR 30 HH TYR 30 -9.979 8.537 1.841
125 H ASN 31 H ASN 31 -6.004 3.035 3.107
126 HA ASN 31 HA ASN 31 -8.081 1.913 1.530
127 1HB ASN 31 2HB ASN 31 -7.135 1.160 3.855
128 2HB ASN 31 1HB ASN 31 -8.284 2.323 4.505
129 1HD2 ASN 31 1HD2 ASN 31 -10.118 1.736 2.207
130 2HD2 ASN 31 2HD2 ASN 31 -10.879 0.246 2.628
131 H THR 32 H THR 32 -9.468 3.232 0.541
132 HA THR 32 HA THR 32 -10.102 5.843 1.281
133 HB THR 32 HB THR 32 -12.011 5.660 -0.276
134 HG1 THR 32 1HG THR 32 -12.851 3.718 -0.405
135 1HG2 THR 32 1HG2 THR 32 -9.773 6.100 -1.157
136 2HG2 THR 32 2HG2 THR 32 -10.706 5.113 -2.282
137 3HG2 THR 32 3HG2 THR 32 -9.468 4.367 -1.272
138 H GLU 33 H GLU 33 -12.013 2.872 1.798
139 HA GLU 33 HA GLU 33 -14.112 4.177 3.164
140 1HB GLU 33 2HB GLU 33 -14.570 2.092 2.139
141 2HB GLU 33 1HB GLU 33 -13.234 1.313 2.974
142 1HG GLU 33 2HG GLU 33 -15.319 0.606 3.940
143 2HG GLU 33 1HG GLU 33 -14.439 1.593 5.105
144 H THR 34 H THR 34 -11.677 1.949 4.434
145 HA THR 34 HA THR 34 -12.209 2.463 7.145
146 HB THR 34 HB THR 34 -9.661 1.418 5.899
147 HG1 THR 34 1HG THR 34 -11.487 -0.248 7.192
148 1HG2 THR 34 1HG2 THR 34 -9.210 0.447 8.094
149 2HG2 THR 34 2HG2 THR 34 -10.670 1.200 8.738
150 3HG2 THR 34 3HG2 THR 34 -9.322 2.203 8.200
151 H LYS 35 H LYS 35 -9.836 3.837 4.924
152 HA LYS 35 HA LYS 35 -8.852 5.895 4.897
153 1HB LYS 35 2HB LYS 35 -9.867 6.281 7.731
154 2HB LYS 35 1HB LYS 35 -9.115 7.506 6.721
155 1HG LYS 35 2HG LYS 35 -10.994 7.382 5.165
156 2HG LYS 35 1HG LYS 35 -11.754 6.158 6.186
157 1HD LYS 35 2HD LYS 35 -11.029 8.925 7.133
158 2HD LYS 35 1HD LYS 35 -12.624 8.483 6.520
159 1HE LYS 35 2HE LYS 35 -12.869 6.837 8.291
160 2HE LYS 35 1HE LYS 35 -11.246 7.198 8.878
161 1HZ LYS 35 1HZ LYS 35 -11.970 9.447 9.387
162 2HZ LYS 35 2HZ LYS 35 -12.932 8.316 10.195
163 3HZ LYS 35 3HZ LYS 35 -13.526 9.102 8.821
164 H GLN 36 H GLN 36 -7.555 3.729 5.116
165 HA GLN 36 HA GLN 36 -5.521 4.281 7.188
166 1HB GLN 36 2HB GLN 36 -6.802 2.190 7.629
167 2HB GLN 36 1HB GLN 36 -6.236 1.564 6.089
168 1HG GLN 36 2HG GLN 36 -4.930 0.677 7.933
169 2HG GLN 36 1HG GLN 36 -3.937 1.670 6.867
170 1HE2 GLN 36 1HE2 GLN 36 -3.202 3.672 7.589
171 2HE2 GLN 36 2HE2 GLN 36 -3.201 4.098 9.264
172 H SER 37 H SER 37 -4.039 5.328 6.067
173 HA SER 37 HA SER 37 -3.119 4.220 3.514
174 1HB SER 37 2HB SER 37 -1.977 6.414 3.212
175 2HB SER 37 1HB SER 37 -3.721 6.576 3.418
176 HG SER 37 HG SER 37 -1.858 7.763 4.810
177 H THR 38 H THR 38 -1.497 2.798 3.759
178 HA THR 38 HA THR 38 0.954 3.555 5.020
179 HB THR 38 HB THR 38 -0.261 2.922 7.040
180 HG1 THR 38 1HG THR 38 1.249 0.699 7.031
181 1HG2 THR 38 1HG2 THR 38 -1.909 1.421 6.046
182 2HG2 THR 38 2HG2 THR 38 -1.051 0.620 7.362
183 3HG2 THR 38 3HG2 THR 38 -0.641 0.248 5.687
184 H TRP 39 H TRP 39 2.531 1.620 5.020
185 HA TRP 39 HA TRP 39 2.114 0.162 2.501
186 1HB TRP 39 2HB TRP 39 4.694 -0.052 3.967
187 2HB TRP 39 1HB TRP 39 4.403 0.089 2.239
188 HD1 TRP 39 HD TRP 39 4.899 2.143 5.377
189 HE1 TRP 39 1HE TRP 39 5.585 4.541 4.701
190 HE3 TRP 39 3HE TRP 39 4.186 1.762 0.361
191 HZ2 TRP 39 2HZ TRP 39 5.813 6.037 2.324
192 HZ3 TRP 39 3HZ TRP 39 4.668 3.715 -1.050
193 HH2 TRP 39 HH TRP 39 5.466 5.802 -0.087
194 H GLU 40 H GLU 40 0.980 -1.682 2.977
195 HA GLU 40 HA GLU 40 2.295 -3.752 4.418
196 1HB GLU 40 2HB GLU 40 1.075 -3.901 6.355
197 2HB GLU 40 1HB GLU 40 1.050 -2.156 6.136
198 1HG GLU 40 2HG GLU 40 -1.162 -2.325 5.102
199 2HG GLU 40 1HG GLU 40 -1.139 -4.068 5.354
200 H LYS 41 H LYS 41 1.032 -5.776 4.362
201 HA LYS 41 HA LYS 41 -0.147 -6.220 1.874
202 1HB LYS 41 2HB LYS 41 -0.982 -8.303 3.414
203 2HB LYS 41 1HB LYS 41 0.573 -8.219 2.616
204 1HG LYS 41 2HG LYS 41 1.666 -7.620 4.591
205 2HG LYS 41 1HG LYS 41 0.157 -7.167 5.385
206 1HD LYS 41 2HD LYS 41 0.975 -9.283 6.261
207 2HD LYS 41 1HD LYS 41 -0.535 -9.527 5.383
208 1HE LYS 41 2HE LYS 41 0.701 -10.318 3.442
209 2HE LYS 41 1HE LYS 41 2.227 -10.014 4.271
210 1HZ LYS 41 1HZ LYS 41 1.556 -12.357 4.342
211 2HZ LYS 41 2HZ LYS 41 0.155 -11.933 5.190
212 3HZ LYS 41 3HZ LYS 41 1.674 -11.685 5.891
213 HA PRO 42 HA PRO 42 -4.200 -4.812 3.301
214 1HB PRO 42 2HB PRO 42 -5.014 -3.887 0.857
215 2HB PRO 42 1HB PRO 42 -4.033 -2.959 1.990
216 1HG PRO 42 2HG PRO 42 -3.280 -4.063 -0.570
217 2HG PRO 42 1HG PRO 42 -2.357 -2.985 0.482
218 1HD PRO 42 2HD PRO 42 -2.144 -5.889 0.145
219 2HD PRO 42 1HD PRO 42 -1.002 -4.757 0.897
Start of MODEL 14
1 H SER 15 H SER 15 -8.811 -3.155 -2.528
2 HA SER 15 HA SER 15 -10.110 -2.147 -4.856
3 1HB SER 15 2HB SER 15 -11.686 -3.787 -2.877
4 2HB SER 15 1HB SER 15 -12.450 -2.582 -3.913
5 HG SER 15 HG SER 15 -12.110 -5.003 -4.564
6 H MET 16 H MET 16 -10.787 -2.436 -1.373
7 HA MET 16 HA MET 16 -11.560 0.265 -1.057
8 1HB MET 16 2HB MET 16 -10.580 -1.702 1.023
9 2HB MET 16 1HB MET 16 -11.423 -0.196 1.355
10 1HG MET 16 2HG MET 16 -13.421 -1.012 0.327
11 2HG MET 16 1HG MET 16 -12.593 -2.462 -0.240
12 1HE MET 16 1HE MET 16 -12.209 -0.697 3.243
13 2HE MET 16 2HE MET 16 -13.383 -1.574 4.223
14 3HE MET 16 3HE MET 16 -13.934 -0.518 2.923
15 H TRP 17 H TRP 17 -8.534 -1.203 -1.421
16 HA TRP 17 HA TRP 17 -7.162 1.094 -0.194
17 1HB TRP 17 2HB TRP 17 -5.928 -1.551 -0.974
18 2HB TRP 17 1HB TRP 17 -5.181 -0.262 -0.045
19 HD1 TRP 17 HD TRP 17 -8.191 -2.697 0.339
20 HE1 TRP 17 1HE TRP 17 -8.346 -3.317 2.834
21 HE3 TRP 17 3HE TRP 17 -4.437 0.244 2.129
22 HZ2 TRP 17 2HZ TRP 17 -7.047 -2.633 5.250
23 HZ3 TRP 17 3HZ TRP 17 -3.948 0.209 4.531
24 HH2 TRP 17 HH TRP 17 -5.224 -1.200 6.068
25 H THR 18 H THR 18 -6.262 2.540 -1.493
26 HA THR 18 HA THR 18 -5.836 1.825 -4.302
27 HB THR 18 HB THR 18 -5.728 4.307 -4.667
28 HG1 THR 18 1HG THR 18 -6.971 5.274 -2.639
29 1HG2 THR 18 1HG2 THR 18 -8.151 4.678 -4.442
30 2HG2 THR 18 2HG2 THR 18 -8.263 3.241 -3.425
31 3HG2 THR 18 3HG2 THR 18 -7.787 3.089 -5.116
32 H GLU 19 H GLU 19 -3.750 1.749 -5.084
33 HA GLU 19 HA GLU 19 -1.665 2.547 -3.203
34 1HB GLU 19 2HB GLU 19 -0.246 0.946 -4.157
35 2HB GLU 19 1HB GLU 19 -1.810 0.164 -4.032
36 1HG GLU 19 2HG GLU 19 -0.621 1.352 -6.530
37 2HG GLU 19 1HG GLU 19 -0.713 -0.363 -6.134
38 H HIS 20 H HIS 20 -0.267 4.096 -3.590
39 HA HIS 20 HA HIS 20 0.251 5.023 -6.308
40 1HB HIS 20 2HB HIS 20 -0.846 6.844 -4.152
41 2HB HIS 20 1HB HIS 20 -0.185 7.393 -5.686
42 HD1 HIS 20 1HD HIS 20 -1.639 7.038 -7.798
43 HD2 HIS 20 2HD HIS 20 -3.424 5.769 -4.267
44 HE1 HIS 20 1HE HIS 20 -4.063 6.673 -8.363
45 HE2 HIS 20 2HE HIS 20 -5.101 5.812 -6.235
46 H LYS 21 H LYS 21 2.267 6.005 -6.542
47 HA LYS 21 HA LYS 21 4.331 5.373 -4.885
48 1HB LYS 21 2HB LYS 21 4.212 7.913 -6.514
49 2HB LYS 21 1HB LYS 21 5.656 7.035 -6.027
50 1HG LYS 21 2HG LYS 21 5.531 6.125 -8.063
51 2HG LYS 21 1HG LYS 21 4.280 5.112 -7.337
52 1HD LYS 21 2HD LYS 21 2.551 6.591 -8.130
53 2HD LYS 21 1HD LYS 21 3.755 7.726 -8.743
54 1HE LYS 21 2HE LYS 21 3.344 4.897 -9.706
55 2HE LYS 21 1HE LYS 21 2.801 6.355 -10.536
56 1HZ LYS 21 1HZ LYS 21 5.107 7.045 -10.752
57 2HZ LYS 21 2HZ LYS 21 4.870 5.530 -11.466
58 3HZ LYS 21 3HZ LYS 21 5.627 5.645 -9.957
59 H SER 22 H SER 22 5.640 6.551 -3.407
60 HA SER 22 HA SER 22 4.606 8.969 -2.222
61 1HB SER 22 2HB SER 22 3.820 6.452 -1.174
62 2HB SER 22 1HB SER 22 4.944 7.174 -0.024
63 HG SER 22 HG SER 22 2.801 8.641 -1.133
64 HA PRO 23 HA PRO 23 8.414 10.537 -0.667
65 1HB PRO 23 2HB PRO 23 7.862 8.920 1.797
66 2HB PRO 23 1HB PRO 23 8.485 10.570 1.656
67 1HG PRO 23 2HG PRO 23 5.824 9.898 2.067
68 2HG PRO 23 1HG PRO 23 6.400 11.453 1.441
69 1HD PRO 23 2HD PRO 23 4.831 9.542 0.067
70 2HD PRO 23 1HD PRO 23 5.595 10.976 -0.631
71 H ASP 24 H ASP 24 8.142 7.218 0.652
72 HA ASP 24 HA ASP 24 10.934 6.754 0.423
73 1HB ASP 24 2HB ASP 24 8.637 4.845 0.873
74 2HB ASP 24 1HB ASP 24 10.335 4.398 0.991
75 H GLY 25 H GLY 25 9.493 7.470 -2.110
76 1HA GLY 25 2HA GLY 25 9.458 6.862 -4.322
77 2HA GLY 25 1HA GLY 25 10.954 6.018 -3.935
78 H ARG 26 H ARG 26 7.823 5.312 -2.552
79 HA ARG 26 HA ARG 26 7.560 2.954 -4.253
80 1HB ARG 26 2HB ARG 26 6.927 1.662 -2.065
81 2HB ARG 26 1HB ARG 26 8.599 1.796 -2.569
82 1HG ARG 26 2HG ARG 26 8.600 3.874 -1.008
83 2HG ARG 26 1HG ARG 26 7.214 3.066 -0.274
84 1HD ARG 26 2HD ARG 26 9.196 2.393 0.881
85 2HD ARG 26 1HD ARG 26 8.579 1.025 -0.037
86 HE ARG 26 HE ARG 26 10.546 2.492 -1.492
87 1HH1 ARG 26 1HH1 ARG 26 10.109 0.104 1.008
88 2HH1 ARG 26 2HH1 ARG 26 11.651 -0.640 0.747
89 1HH2 ARG 26 1HH2 ARG 26 12.577 1.518 -1.844
90 2HH2 ARG 26 2HH2 ARG 26 13.054 0.162 -0.875
91 H THR 27 H THR 27 5.392 1.827 -3.794
92 HA THR 27 HA THR 27 3.428 3.999 -3.610
93 HB THR 27 HB THR 27 3.368 2.748 -5.701
94 HG1 THR 27 1HG THR 27 1.209 2.614 -5.708
95 1HG2 THR 27 1HG2 THR 27 4.247 0.614 -5.026
96 2HG2 THR 27 2HG2 THR 27 2.628 0.363 -5.680
97 3HG2 THR 27 3HG2 THR 27 2.887 0.345 -3.935
98 H TYR 28 H TYR 28 2.056 4.131 -1.993
99 HA TYR 28 HA TYR 28 1.949 1.932 -0.062
100 1HB TYR 28 2HB TYR 28 1.350 3.533 1.586
101 2HB TYR 28 1HB TYR 28 2.678 4.237 0.677
102 HD1 TYR 28 1HD TYR 28 -0.680 4.673 1.814
103 HD2 TYR 28 2HD TYR 28 2.099 5.946 -1.146
104 HE1 TYR 28 1HE TYR 28 -2.047 6.671 1.395
105 HE2 TYR 28 2HE TYR 28 0.735 7.945 -1.573
106 HH TYR 28 HH TYR 28 -1.611 8.669 -1.297
107 H TYR 29 H TYR 29 -0.109 1.627 1.066
108 HA TYR 29 HA TYR 29 -2.320 1.702 -0.854
109 1HB TYR 29 2HB TYR 29 -1.878 -0.054 1.562
110 2HB TYR 29 1HB TYR 29 -3.257 -0.149 0.477
111 HD1 TYR 29 1HD TYR 29 -2.871 -0.824 -1.925
112 HD2 TYR 29 2HD TYR 29 0.165 -1.104 1.040
113 HE1 TYR 29 1HE TYR 29 -1.609 -2.362 -3.369
114 HE2 TYR 29 2HE TYR 29 1.436 -2.643 -0.394
115 HH TYR 29 HH TYR 29 0.738 -3.104 -3.666
116 H TYR 30 H TYR 30 -3.736 3.241 -0.526
117 HA TYR 30 HA TYR 30 -4.211 4.220 2.195
118 1HB TYR 30 2HB TYR 30 -3.618 6.044 0.851
119 2HB TYR 30 1HB TYR 30 -4.522 5.442 -0.532
120 HD1 TYR 30 1HD TYR 30 -6.674 6.245 -0.959
121 HD2 TYR 30 2HD TYR 30 -4.966 6.845 2.890
122 HE1 TYR 30 1HE TYR 30 -8.565 7.694 -0.353
123 HE2 TYR 30 2HE TYR 30 -6.853 8.295 3.508
124 HH TYR 30 HH TYR 30 -8.550 9.688 2.383
125 H ASN 31 H ASN 31 -5.859 3.225 3.142
126 HA ASN 31 HA ASN 31 -7.961 1.952 1.679
127 1HB ASN 31 2HB ASN 31 -6.977 1.421 4.072
128 2HB ASN 31 1HB ASN 31 -8.170 2.601 4.602
129 1HD2 ASN 31 1HD2 ASN 31 -9.956 1.778 2.346
130 2HD2 ASN 31 2HD2 ASN 31 -10.680 0.305 2.878
131 H THR 32 H THR 32 -9.250 3.289 0.552
132 HA THR 32 HA THR 32 -9.882 5.929 1.167
133 HB THR 32 HB THR 32 -11.723 5.723 -0.444
134 HG1 THR 32 1HG THR 32 -11.135 2.951 -0.202
135 1HG2 THR 32 1HG2 THR 32 -9.247 4.237 -1.329
136 2HG2 THR 32 2HG2 THR 32 -9.408 5.991 -1.249
137 3HG2 THR 32 3HG2 THR 32 -10.399 5.066 -2.376
138 H GLU 33 H GLU 33 -11.838 3.006 1.774
139 HA GLU 33 HA GLU 33 -14.003 4.365 2.947
140 1HB GLU 33 2HB GLU 33 -14.397 2.200 2.107
141 2HB GLU 33 1HB GLU 33 -13.060 1.522 3.021
142 1HG GLU 33 2HG GLU 33 -15.186 0.852 3.969
143 2HG GLU 33 1HG GLU 33 -14.300 1.874 5.097
144 H THR 34 H THR 34 -11.569 2.342 4.526
145 HA THR 34 HA THR 34 -12.290 3.147 7.149
146 HB THR 34 HB THR 34 -9.767 1.805 6.162
147 HG1 THR 34 1HG THR 34 -11.834 0.682 5.894
148 1HG2 THR 34 1HG2 THR 34 -9.502 1.077 8.514
149 2HG2 THR 34 2HG2 THR 34 -10.842 2.132 8.966
150 3HG2 THR 34 3HG2 THR 34 -9.353 2.824 8.320
151 H LYS 35 H LYS 35 -9.813 4.208 4.891
152 HA LYS 35 HA LYS 35 -8.698 6.192 4.733
153 1HB LYS 35 2HB LYS 35 -9.762 6.879 7.491
154 2HB LYS 35 1HB LYS 35 -8.946 7.972 6.383
155 1HG LYS 35 2HG LYS 35 -10.823 7.676 4.789
156 2HG LYS 35 1HG LYS 35 -11.654 6.714 6.013
157 1HD LYS 35 2HD LYS 35 -11.665 8.611 7.530
158 2HD LYS 35 1HD LYS 35 -10.756 9.573 6.363
159 1HE LYS 35 2HE LYS 35 -12.608 9.404 4.777
160 2HE LYS 35 1HE LYS 35 -13.514 8.429 5.932
161 1HZ LYS 35 1HZ LYS 35 -12.676 11.254 6.300
162 2HZ LYS 35 2HZ LYS 35 -13.478 10.324 7.463
163 3HZ LYS 35 3HZ LYS 35 -14.250 10.706 6.007
164 H GLN 36 H GLN 36 -7.605 3.927 5.243
165 HA GLN 36 HA GLN 36 -5.571 4.520 7.303
166 1HB GLN 36 2HB GLN 36 -7.154 2.549 7.754
167 2HB GLN 36 1HB GLN 36 -6.311 1.731 6.448
168 1HG GLN 36 2HG GLN 36 -4.256 2.644 8.019
169 2HG GLN 36 1HG GLN 36 -5.493 2.208 9.196
170 1HE2 GLN 36 1HE2 GLN 36 -3.345 1.064 6.734
171 2HE2 GLN 36 2HE2 GLN 36 -3.507 -0.620 7.080
172 H SER 37 H SER 37 -3.939 5.293 6.152
173 HA SER 37 HA SER 37 -3.128 3.911 3.703
174 1HB SER 37 2HB SER 37 -1.709 5.930 3.313
175 2HB SER 37 1HB SER 37 -3.429 6.294 3.435
176 HG SER 37 HG SER 37 -2.691 6.543 5.840
177 H THR 38 H THR 38 -1.466 2.514 3.772
178 HA THR 38 HA THR 38 0.921 3.046 5.264
179 HB THR 38 HB THR 38 -0.553 2.169 7.069
180 HG1 THR 38 1HG THR 38 1.831 1.722 6.839
181 1HG2 THR 38 1HG2 THR 38 -1.202 -0.179 7.053
182 2HG2 THR 38 2HG2 THR 38 -0.507 -0.377 5.444
183 3HG2 THR 38 3HG2 THR 38 -1.913 0.663 5.674
184 H TRP 39 H TRP 39 2.477 1.121 5.077
185 HA TRP 39 HA TRP 39 2.155 -0.042 2.393
186 1HB TRP 39 2HB TRP 39 4.649 -0.278 4.064
187 2HB TRP 39 1HB TRP 39 4.500 -0.279 2.312
188 HD1 TRP 39 HD TRP 39 4.785 2.003 5.297
189 HE1 TRP 39 1HE TRP 39 5.435 4.369 4.497
190 HE3 TRP 39 3HE TRP 39 4.303 1.278 0.294
191 HZ2 TRP 39 2HZ TRP 39 5.719 5.717 2.049
192 HZ3 TRP 39 3HZ TRP 39 4.796 3.150 -1.215
193 HH2 TRP 39 HH TRP 39 5.488 5.319 -0.360
194 H GLU 40 H GLU 40 0.980 -1.938 2.634
195 HA GLU 40 HA GLU 40 2.230 -4.142 3.931
196 1HB GLU 40 2HB GLU 40 0.943 -4.448 5.810
197 2HB GLU 40 1HB GLU 40 0.964 -2.690 5.746
198 1HG GLU 40 2HG GLU 40 -1.220 -2.690 4.676
199 2HG GLU 40 1HG GLU 40 -1.245 -4.452 4.707
200 H LYS 41 H LYS 41 0.857 -6.134 3.749
201 HA LYS 41 HA LYS 41 -0.278 -6.335 1.183
202 1HB LYS 41 2HB LYS 41 -0.999 -8.529 2.824
203 2HB LYS 41 1HB LYS 41 0.219 -8.477 1.571
204 1HG LYS 41 2HG LYS 41 1.836 -7.677 3.273
205 2HG LYS 41 1HG LYS 41 0.584 -7.896 4.498
206 1HD LYS 41 2HD LYS 41 1.940 -9.840 4.560
207 2HD LYS 41 1HD LYS 41 0.433 -10.297 3.763
208 1HE LYS 41 2HE LYS 41 1.549 -9.996 1.576
209 2HE LYS 41 1HE LYS 41 3.057 -9.655 2.423
210 1HZ LYS 41 1HZ LYS 41 1.525 -12.197 2.478
211 2HZ LYS 41 2HZ LYS 41 2.878 -11.882 3.444
212 3HZ LYS 41 3HZ LYS 41 3.035 -11.937 1.761
213 HA PRO 42 HA PRO 42 -4.284 -5.014 2.863
214 1HB PRO 42 2HB PRO 42 -5.182 -4.566 0.165
215 2HB PRO 42 1HB PRO 42 -4.789 -3.375 1.405
216 1HG PRO 42 2HG PRO 42 -3.329 -3.759 -0.889
217 2HG PRO 42 1HG PRO 42 -2.699 -3.044 0.604
218 1HD PRO 42 2HD PRO 42 -2.392 -5.829 -0.444
219 2HD PRO 42 1HD PRO 42 -1.211 -4.805 0.401
Start of MODEL 15
1 H SER 15 H SER 15 -8.694 -3.251 -2.511
2 HA SER 15 HA SER 15 -10.778 -2.988 -4.493
3 1HB SER 15 2HB SER 15 -11.522 -5.010 -3.362
4 2HB SER 15 1HB SER 15 -11.363 -4.222 -1.793
5 HG SER 15 HG SER 15 -12.935 -2.647 -2.742
6 H MET 16 H MET 16 -10.642 -2.531 -0.958
7 HA MET 16 HA MET 16 -11.588 0.187 -1.264
8 1HB MET 16 2HB MET 16 -10.808 -1.276 1.262
9 2HB MET 16 1HB MET 16 -11.713 0.227 1.161
10 1HG MET 16 2HG MET 16 -13.435 -1.111 -0.165
11 2HG MET 16 1HG MET 16 -12.593 -2.540 0.430
12 1HE MET 16 1HE MET 16 -11.708 -1.012 3.335
13 2HE MET 16 2HE MET 16 -12.041 -2.735 3.164
14 3HE MET 16 3HE MET 16 -12.909 -1.785 4.370
15 H TRP 17 H TRP 17 -8.583 -1.283 -1.306
16 HA TRP 17 HA TRP 17 -7.254 1.075 -0.165
17 1HB TRP 17 2HB TRP 17 -5.951 -1.548 -0.888
18 2HB TRP 17 1HB TRP 17 -5.264 -0.234 0.058
19 HD1 TRP 17 HD TRP 17 -8.300 -2.657 0.379
20 HE1 TRP 17 1HE TRP 17 -8.499 -3.298 2.865
21 HE3 TRP 17 3HE TRP 17 -4.502 0.187 2.240
22 HZ2 TRP 17 2HZ TRP 17 -7.207 -2.668 5.301
23 HZ3 TRP 17 3HZ TRP 17 -4.039 0.114 4.648
24 HH2 TRP 17 HH TRP 17 -5.363 -1.285 6.153
25 H THR 18 H THR 18 -6.726 2.581 -1.583
26 HA THR 18 HA THR 18 -5.974 1.799 -4.304
27 HB THR 18 HB THR 18 -6.254 4.250 -4.810
28 HG1 THR 18 1HG THR 18 -6.072 4.949 -2.589
29 1HG2 THR 18 1HG2 THR 18 -8.018 2.646 -5.336
30 2HG2 THR 18 2HG2 THR 18 -8.709 4.182 -4.816
31 3HG2 THR 18 3HG2 THR 18 -8.668 2.812 -3.706
32 H GLU 19 H GLU 19 -3.811 1.596 -4.572
33 HA GLU 19 HA GLU 19 -2.068 3.194 -2.863
34 1HB GLU 19 2HB GLU 19 -0.372 1.587 -3.203
35 2HB GLU 19 1HB GLU 19 -1.859 0.694 -2.943
36 1HG GLU 19 2HG GLU 19 -0.547 1.214 -5.600
37 2HG GLU 19 1HG GLU 19 -0.540 -0.306 -4.709
38 H HIS 20 H HIS 20 -0.367 4.366 -3.549
39 HA HIS 20 HA HIS 20 0.213 4.734 -6.369
40 1HB HIS 20 2HB HIS 20 -0.468 7.174 -4.735
41 2HB HIS 20 1HB HIS 20 -0.271 7.046 -6.476
42 HD1 HIS 20 1HD HIS 20 -2.309 6.292 -7.843
43 HD2 HIS 20 2HD HIS 20 -2.990 6.387 -3.740
44 HE1 HIS 20 1HE HIS 20 -4.798 6.071 -7.569
45 HE2 HIS 20 2HE HIS 20 -5.195 6.241 -5.087
46 H LYS 21 H LYS 21 2.218 5.998 -6.671
47 HA LYS 21 HA LYS 21 4.261 5.368 -4.984
48 1HB LYS 21 2HB LYS 21 4.102 7.852 -6.693
49 2HB LYS 21 1HB LYS 21 5.577 7.088 -6.103
50 1HG LYS 21 2HG LYS 21 5.588 5.991 -8.039
51 2HG LYS 21 1HG LYS 21 4.295 5.025 -7.320
52 1HD LYS 21 2HD LYS 21 2.769 6.948 -8.236
53 2HD LYS 21 1HD LYS 21 4.126 7.215 -9.333
54 1HE LYS 21 2HE LYS 21 2.616 5.731 -10.423
55 2HE LYS 21 1HE LYS 21 4.015 4.783 -9.915
56 1HZ LYS 21 1HZ LYS 21 1.445 4.937 -8.435
57 2HZ LYS 21 2HZ LYS 21 2.775 3.971 -8.036
58 3HZ LYS 21 3HZ LYS 21 1.903 3.665 -9.452
59 H SER 22 H SER 22 5.559 6.570 -3.518
60 HA SER 22 HA SER 22 4.678 9.002 -2.340
61 1HB SER 22 2HB SER 22 3.738 6.423 -1.222
62 2HB SER 22 1HB SER 22 4.346 7.591 -0.050
63 HG SER 22 HG SER 22 2.672 8.827 -0.411
64 HA PRO 23 HA PRO 23 8.598 9.603 -0.307
65 1HB PRO 23 2HB PRO 23 7.538 8.242 2.141
66 2HB PRO 23 1HB PRO 23 8.533 9.697 2.008
67 1HG PRO 23 2HG PRO 23 5.846 9.771 2.380
68 2HG PRO 23 1HG PRO 23 6.745 11.037 1.526
69 1HD PRO 23 2HD PRO 23 4.820 9.139 0.474
70 2HD PRO 23 1HD PRO 23 5.551 10.533 -0.332
71 H ASP 24 H ASP 24 10.509 8.540 0.054
72 HA ASP 24 HA ASP 24 12.037 6.866 0.122
73 1HB ASP 24 2HB ASP 24 10.604 5.970 1.982
74 2HB ASP 24 1HB ASP 24 9.771 4.980 0.789
75 H GLY 25 H GLY 25 9.630 7.172 -2.051
76 1HA GLY 25 2HA GLY 25 9.488 6.583 -4.267
77 2HA GLY 25 1HA GLY 25 11.046 5.793 -4.082
78 H ARG 26 H ARG 26 7.946 5.247 -2.508
79 HA ARG 26 HA ARG 26 7.723 2.642 -3.798
80 1HB ARG 26 2HB ARG 26 6.973 1.798 -1.426
81 2HB ARG 26 1HB ARG 26 8.670 1.795 -1.881
82 1HG ARG 26 2HG ARG 26 8.791 4.077 -0.749
83 2HG ARG 26 1HG ARG 26 7.227 3.670 -0.049
84 1HD ARG 26 2HD ARG 26 9.737 2.029 0.213
85 2HD ARG 26 1HD ARG 26 9.072 3.096 1.447
86 HE ARG 26 HE ARG 26 7.096 1.261 0.706
87 1HH1 ARG 26 1HH1 ARG 26 10.182 1.328 2.321
88 2HH1 ARG 26 2HH1 ARG 26 9.828 -0.032 3.332
89 1HH2 ARG 26 1HH2 ARG 26 6.620 -0.533 2.034
90 2HH2 ARG 26 2HH2 ARG 26 7.803 -1.091 3.168
91 H THR 27 H THR 27 5.502 1.665 -3.243
92 HA THR 27 HA THR 27 3.603 3.891 -3.443
93 HB THR 27 HB THR 27 3.607 2.375 -5.363
94 HG1 THR 27 1HG THR 27 1.529 3.181 -4.032
95 1HG2 THR 27 1HG2 THR 27 2.828 0.064 -5.143
96 2HG2 THR 27 2HG2 THR 27 2.755 0.245 -3.391
97 3HG2 THR 27 3HG2 THR 27 4.309 0.317 -4.220
98 H TYR 28 H TYR 28 2.172 4.275 -1.932
99 HA TYR 28 HA TYR 28 1.818 2.303 0.207
100 1HB TYR 28 2HB TYR 28 1.078 4.108 1.628
101 2HB TYR 28 1HB TYR 28 2.594 4.563 0.885
102 HD1 TYR 28 1HD TYR 28 1.199 6.616 2.169
103 HD2 TYR 28 2HD TYR 28 0.495 5.137 -1.757
104 HE1 TYR 28 1HE TYR 28 0.206 8.770 1.535
105 HE2 TYR 28 2HE TYR 28 -0.493 7.284 -2.397
106 HH TYR 28 HH TYR 28 -0.210 10.080 -0.499
107 H TYR 29 H TYR 29 -0.313 1.843 1.008
108 HA TYR 29 HA TYR 29 -2.322 2.122 -1.116
109 1HB TYR 29 2HB TYR 29 -2.331 0.198 1.214
110 2HB TYR 29 1HB TYR 29 -3.454 0.209 -0.133
111 HD1 TYR 29 1HD TYR 29 0.220 -0.046 0.516
112 HD2 TYR 29 2HD TYR 29 -3.085 -1.261 -1.872
113 HE1 TYR 29 1HE TYR 29 1.685 -1.591 -0.715
114 HE2 TYR 29 2HE TYR 29 -1.628 -2.806 -3.111
115 HH TYR 29 HH TYR 29 1.493 -3.627 -2.065
116 H TYR 30 H TYR 30 -4.033 3.339 -0.828
117 HA TYR 30 HA TYR 30 -4.487 4.510 1.822
118 1HB TYR 30 2HB TYR 30 -4.043 6.144 0.067
119 2HB TYR 30 1HB TYR 30 -5.313 5.449 -0.934
120 HD1 TYR 30 1HD TYR 30 -4.692 7.296 2.218
121 HD2 TYR 30 2HD TYR 30 -7.564 6.113 -0.686
122 HE1 TYR 30 1HE TYR 30 -6.336 8.816 3.233
123 HE2 TYR 30 2HE TYR 30 -9.214 7.631 0.317
124 HH TYR 30 HH TYR 30 -9.634 8.705 2.508
125 H ASN 31 H ASN 31 -5.948 3.305 2.900
126 HA ASN 31 HA ASN 31 -8.074 1.915 1.580
127 1HB ASN 31 2HB ASN 31 -6.945 1.315 3.839
128 2HB ASN 31 1HB ASN 31 -7.996 2.548 4.529
129 1HD2 ASN 31 1HD2 ASN 31 -10.074 1.823 2.461
130 2HD2 ASN 31 2HD2 ASN 31 -10.812 0.396 3.088
131 H THR 32 H THR 32 -9.438 3.255 0.525
132 HA THR 32 HA THR 32 -10.188 5.828 1.269
133 HB THR 32 HB THR 32 -12.144 5.519 -0.240
134 HG1 THR 32 1HG THR 32 -11.448 3.139 -1.265
135 1HG2 THR 32 1HG2 THR 32 -9.516 4.484 -1.312
136 2HG2 THR 32 2HG2 THR 32 -9.967 6.181 -1.140
137 3HG2 THR 32 3HG2 THR 32 -10.834 5.149 -2.277
138 H GLU 33 H GLU 33 -11.870 2.758 1.911
139 HA GLU 33 HA GLU 33 -14.084 3.934 3.211
140 1HB GLU 33 2HB GLU 33 -14.353 1.767 2.304
141 2HB GLU 33 1HB GLU 33 -12.941 1.160 3.158
142 1HG GLU 33 2HG GLU 33 -14.960 0.313 4.173
143 2HG GLU 33 1HG GLU 33 -14.140 1.408 5.286
144 H THR 34 H THR 34 -11.461 2.009 4.593
145 HA THR 34 HA THR 34 -12.080 2.694 7.273
146 HB THR 34 HB THR 34 -9.528 1.543 6.133
147 HG1 THR 34 1HG THR 34 -11.146 -0.103 7.591
148 1HG2 THR 34 1HG2 THR 34 -10.516 1.665 8.987
149 2HG2 THR 34 2HG2 THR 34 -9.121 2.518 8.325
150 3HG2 THR 34 3HG2 THR 34 -9.108 0.757 8.432
151 H LYS 35 H LYS 35 -9.787 3.980 4.939
152 HA LYS 35 HA LYS 35 -8.807 6.044 4.805
153 1HB LYS 35 2HB LYS 35 -9.742 6.524 7.654
154 2HB LYS 35 1HB LYS 35 -9.029 7.718 6.580
155 1HG LYS 35 2HG LYS 35 -10.955 7.512 5.082
156 2HG LYS 35 1HG LYS 35 -11.676 6.339 6.187
157 1HD LYS 35 2HD LYS 35 -11.802 8.000 7.935
158 2HD LYS 35 1HD LYS 35 -10.942 9.168 6.930
159 1HE LYS 35 2HE LYS 35 -12.788 9.148 5.327
160 2HE LYS 35 1HE LYS 35 -13.643 7.967 6.318
161 1HZ LYS 35 1HZ LYS 35 -14.448 10.227 6.680
162 2HZ LYS 35 2HZ LYS 35 -12.908 10.713 7.181
163 3HZ LYS 35 3HZ LYS 35 -13.776 9.583 8.093
164 H GLN 36 H GLN 36 -7.540 3.844 5.112
165 HA GLN 36 HA GLN 36 -5.447 4.439 7.115
166 1HB GLN 36 2HB GLN 36 -6.698 2.376 7.644
167 2HB GLN 36 1HB GLN 36 -6.251 1.722 6.077
168 1HG GLN 36 2HG GLN 36 -4.847 0.811 7.826
169 2HG GLN 36 1HG GLN 36 -3.899 1.787 6.707
170 1HE2 GLN 36 1HE2 GLN 36 -3.074 3.767 7.394
171 2HE2 GLN 36 2HE2 GLN 36 -2.962 4.181 9.068
172 H SER 37 H SER 37 -3.955 5.434 5.984
173 HA SER 37 HA SER 37 -3.096 4.321 3.414
174 1HB SER 37 2HB SER 37 -3.693 6.727 3.471
175 2HB SER 37 1HB SER 37 -2.420 6.999 4.659
176 HG SER 37 HG SER 37 -1.212 7.290 2.969
177 H THR 38 H THR 38 -1.496 2.843 3.652
178 HA THR 38 HA THR 38 0.999 3.580 4.843
179 HB THR 38 HB THR 38 -0.102 3.007 6.912
180 HG1 THR 38 1HG THR 38 1.980 2.276 6.929
181 1HG2 THR 38 1HG2 THR 38 -1.054 0.775 7.295
182 2HG2 THR 38 2HG2 THR 38 -0.777 0.372 5.600
183 3HG2 THR 38 3HG2 THR 38 -1.920 1.645 6.028
184 H TRP 39 H TRP 39 2.573 1.647 4.795
185 HA TRP 39 HA TRP 39 2.040 0.144 2.325
186 1HB TRP 39 2HB TRP 39 4.691 -0.175 3.546
187 2HB TRP 39 1HB TRP 39 4.273 0.211 1.882
188 HD1 TRP 39 HD TRP 39 4.943 1.830 5.252
189 HE1 TRP 39 1HE TRP 39 5.725 4.262 4.856
190 HE3 TRP 39 3HE TRP 39 4.191 2.076 0.234
191 HZ2 TRP 39 2HZ TRP 39 6.004 6.020 2.664
192 HZ3 TRP 39 3HZ TRP 39 4.743 4.159 -0.950
193 HH2 TRP 39 HH TRP 39 5.631 6.092 0.245
194 H GLU 40 H GLU 40 0.978 -1.709 2.833
195 HA GLU 40 HA GLU 40 2.325 -3.734 4.292
196 1HB GLU 40 2HB GLU 40 1.135 -3.851 6.256
197 2HB GLU 40 1HB GLU 40 1.114 -2.109 6.004
198 1HG GLU 40 2HG GLU 40 -1.116 -2.288 5.009
199 2HG GLU 40 1HG GLU 40 -1.097 -4.026 5.301
200 H LYS 41 H LYS 41 0.974 -5.746 4.376
201 HA LYS 41 HA LYS 41 -0.270 -6.198 1.884
202 1HB LYS 41 2HB LYS 41 -0.930 -8.349 3.362
203 2HB LYS 41 1HB LYS 41 0.633 -8.157 2.595
204 1HG LYS 41 2HG LYS 41 1.664 -7.602 4.599
205 2HG LYS 41 1HG LYS 41 0.138 -7.159 5.364
206 1HD LYS 41 2HD LYS 41 0.879 -9.248 6.292
207 2HD LYS 41 1HD LYS 41 -0.530 -9.557 5.278
208 1HE LYS 41 2HE LYS 41 1.136 -11.255 4.878
209 2HE LYS 41 1HE LYS 41 0.979 -10.237 3.448
210 1HZ LYS 41 1HZ LYS 41 2.961 -9.037 4.122
211 2HZ LYS 41 2HZ LYS 41 3.293 -10.688 3.967
212 3HZ LYS 41 3HZ LYS 41 3.109 -10.004 5.503
213 HA PRO 42 HA PRO 42 -4.235 -4.794 3.563
214 1HB PRO 42 2HB PRO 42 -5.249 -4.534 0.896
215 2HB PRO 42 1HB PRO 42 -4.738 -3.257 1.995
216 1HG PRO 42 2HG PRO 42 -3.445 -3.944 -0.350
217 2HG PRO 42 1HG PRO 42 -2.719 -3.040 0.989
218 1HD PRO 42 2HD PRO 42 -2.461 -5.931 0.291
219 2HD PRO 42 1HD PRO 42 -1.253 -4.817 0.964