NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
498598 |
2kus   |
16745 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 1.807 0.001 0.856
2 HA SER 1 HA SER 1 1.807 -0.871 -1.809
3 HB2 SER 1 1HB SER 1 1.906 2.129 -1.441
4 HB3 SER 1 2HB SER 1 2.443 1.308 -2.907
5 HG SER 1 HG SER 1 0.380 0.640 -3.291
6 H GLY 2 H GLY 2 3.820 -1.495 -2.341
7 HA2 GLY 2 1HA GLY 2 5.898 -1.509 -0.510
8 HA3 GLY 2 2HA GLY 2 6.097 -1.772 -2.236
9 HA PRO 3 HA PRO 3 7.926 2.109 -0.586
10 HB2 PRO 3 1HB PRO 3 10.620 1.588 -0.682
11 HB3 PRO 3 2HB PRO 3 9.601 1.324 0.773
12 HG2 PRO 3 1HG PRO 3 10.578 -0.661 -1.278
13 HG3 PRO 3 2HG PRO 3 10.254 -0.889 0.473
14 HD2 PRO 3 1HD PRO 3 8.539 -1.725 -1.566
15 HD3 PRO 3 2HD PRO 3 8.014 -1.375 0.116
16 H ASN 4 H ASN 4 8.304 0.387 -3.347
17 HA ASN 4 HA ASN 4 9.597 2.582 -4.787
18 HB2 ASN 4 1HB ASN 4 8.866 -0.204 -5.718
19 HB3 ASN 4 2HB ASN 4 9.752 0.990 -6.662
20 HD21 ASN 4 2HD2 ASN 4 9.856 -1.078 -3.844
21 HD22 ASN 4 1HD2 ASN 4 11.576 -1.104 -3.689
22 H GLY 5 H GLY 5 6.560 1.799 -3.889
23 HA2 GLY 5 1HA GLY 5 4.611 2.919 -4.550
24 HA3 GLY 5 2HA GLY 5 5.412 3.385 -6.044
25 H GLN 6 H GLN 6 5.395 0.082 -4.921
26 HA GLN 6 HA GLN 6 4.295 -0.862 -7.360
27 HB2 GLN 6 1HB GLN 6 4.659 -2.317 -4.735
28 HB3 GLN 6 2HB GLN 6 4.345 -3.073 -6.291
29 HG2 GLN 6 1HG GLN 6 6.570 -3.304 -6.345
30 HG3 GLN 6 2HG GLN 6 6.537 -1.629 -6.893
31 HE21 GLN 6 2HE2 GLN 6 7.994 -3.678 -4.824
32 HE22 GLN 6 1HE2 GLN 6 8.513 -2.565 -3.608
33 H CYS 7 H CYS 7 2.252 -1.237 -7.942
34 HA CYS 7 HA CYS 7 0.175 -1.145 -5.852
35 HB2 CYS 7 1HB CYS 7 -1.302 -0.190 -7.710
36 HB3 CYS 7 2HB CYS 7 -0.080 0.882 -7.033
37 H GLY 8 H GLY 8 -1.599 -2.518 -6.083
38 HA2 GLY 8 1HA GLY 8 -2.812 -4.021 -7.687
39 HA3 GLY 8 2HA GLY 8 -1.224 -4.657 -8.088
40 HA PRO 9 HA PRO 9 -3.506 -7.128 -5.263
41 HB2 PRO 9 1HB PRO 9 -2.320 -9.511 -6.471
42 HB3 PRO 9 2HB PRO 9 -4.057 -9.071 -6.353
43 HG2 PRO 9 1HG PRO 9 -2.609 -8.922 -8.700
44 HG3 PRO 9 2HG PRO 9 -4.020 -7.869 -8.341
45 HD2 PRO 9 1HD PRO 9 -1.083 -7.216 -8.305
46 HD3 PRO 9 2HD PRO 9 -2.492 -6.141 -8.600
47 H GLY 10 H GLY 10 -2.298 -6.294 -3.531
48 HA2 GLY 10 1HA GLY 10 -1.660 -7.791 -1.547
49 HA3 GLY 10 2HA GLY 10 -0.277 -8.202 -2.551
50 H TRP 11 H TRP 11 -0.648 -5.180 -3.426
51 HA TRP 11 HA TRP 11 0.976 -4.128 -1.204
52 HB2 TRP 11 1HB TRP 11 1.068 -3.154 -4.059
53 HB3 TRP 11 2HB TRP 11 2.208 -2.809 -2.762
54 HD1 TRP 11 HD1 TRP 11 1.327 -5.458 -5.350
55 HE1 TRP 11 HE1 TRP 11 3.218 -7.202 -5.435
56 HE3 TRP 11 HE3 TRP 11 4.038 -3.916 -1.298
57 HZ2 TRP 11 HZ2 TRP 11 5.550 -7.841 -3.978
58 HZ3 TRP 11 HZ3 TRP 11 6.085 -5.148 -0.711
59 HH2 TRP 11 HH2 TRP 11 6.823 -7.070 -2.024
60 H GLY 12 H GLY 12 -1.648 -3.498 -3.441
61 HA2 GLY 12 1HA GLY 12 -3.518 -2.182 -2.574
62 HA3 GLY 12 2HA GLY 12 -2.333 -1.118 -1.832
63 H GLY 13 H GLY 13 -3.782 0.458 -3.021
64 HA2 GLY 13 1HA GLY 13 -3.160 0.631 -5.882
65 HA3 GLY 13 2HA GLY 13 -4.392 1.555 -5.035
66 H CYS 14 H CYS 14 -3.417 3.351 -6.261
67 HA CYS 14 HA CYS 14 -0.906 4.315 -5.075
68 HB2 CYS 14 1HB CYS 14 -2.323 5.159 -7.612
69 HB3 CYS 14 2HB CYS 14 -0.831 5.872 -7.009
70 H ARG 15 H ARG 15 -0.765 6.693 -4.727
71 HA ARG 15 HA ARG 15 -2.843 7.556 -3.014
72 HB2 ARG 15 1HB ARG 15 -0.317 8.749 -4.064
73 HB3 ARG 15 2HB ARG 15 -1.496 9.819 -3.318
74 HG2 ARG 15 1HG ARG 15 -0.358 9.318 -1.448
75 HG3 ARG 15 2HG ARG 15 -1.389 7.886 -1.456
76 HD2 ARG 15 1HD ARG 15 0.386 6.569 -1.664
77 HD3 ARG 15 2HD ARG 15 0.877 7.418 -3.129
78 HE ARG 15 HE ARG 15 1.577 8.808 -0.718
79 HH11 ARG 15 1HH1 ARG 15 2.550 6.342 -2.974
80 HH12 ARG 15 2HH1 ARG 15 4.236 6.482 -2.600
81 HH21 ARG 15 1HH2 ARG 15 3.794 9.002 -0.217
82 HH22 ARG 15 2HH2 ARG 15 4.942 7.995 -1.031
83 H GLY 16 H GLY 16 -3.822 9.817 -3.257
84 HA2 GLY 16 1HA GLY 16 -5.644 9.851 -5.334
85 HA3 GLY 16 2HA GLY 16 -5.201 11.264 -4.388
86 H GLY 17 H GLY 17 -2.632 11.745 -5.103
87 HA2 GLY 17 1HA GLY 17 -2.983 12.779 -7.779
88 HA3 GLY 17 2HA GLY 17 -1.619 13.079 -6.712
89 H LEU 18 H LEU 18 -1.990 9.843 -6.658
90 HA LEU 18 HA LEU 18 -0.058 9.476 -8.848
91 HB2 LEU 18 1HB LEU 18 -0.482 7.804 -6.376
92 HB3 LEU 18 2HB LEU 18 0.719 7.501 -7.629
93 HG LEU 18 HG LEU 18 0.656 9.844 -5.729
94 HD11 LEU 18 1HD1 LEU 18 2.063 8.714 -4.421
95 HD12 LEU 18 2HD1 LEU 18 3.011 8.140 -5.792
96 HD13 LEU 18 3HD1 LEU 18 1.553 7.276 -5.306
97 HD21 LEU 18 3HD2 LEU 18 2.908 10.317 -6.750
98 HD22 LEU 18 1HD2 LEU 18 1.520 10.649 -7.785
99 HD23 LEU 18 2HD2 LEU 18 2.476 9.189 -8.036
100 H CYS 19 H CYS 19 -0.130 7.407 -9.988
101 HA CYS 19 HA CYS 19 -2.682 5.996 -9.904
102 HB2 CYS 19 1HB CYS 19 -1.619 7.436 -12.336
103 HB3 CYS 19 2HB CYS 19 -2.843 6.174 -12.426
104 H CYS 20 H CYS 20 -2.632 3.925 -10.860
105 HA CYS 20 HA CYS 20 -0.088 2.640 -10.715
106 HB2 CYS 20 1HB CYS 20 -2.509 1.728 -10.218
107 HB3 CYS 20 2HB CYS 20 -2.477 1.307 -11.928
108 H SER 21 H SER 21 1.385 2.566 -12.264
109 HA SER 21 HA SER 21 0.740 3.310 -14.972
110 HB2 SER 21 1HB SER 21 3.066 3.367 -15.361
111 HB3 SER 21 2HB SER 21 2.893 3.888 -13.684
112 HG SER 21 HG SER 21 4.084 2.257 -13.147
113 H GLN 22 H GLN 22 1.860 1.926 -16.755
114 HA GLN 22 HA GLN 22 0.504 -0.564 -16.833
115 HB2 GLN 22 1HB GLN 22 2.665 0.512 -18.653
116 HB3 GLN 22 2HB GLN 22 1.641 -0.875 -18.998
117 HG2 GLN 22 1HG GLN 22 -0.211 0.412 -19.397
118 HG3 GLN 22 2HG GLN 22 0.363 1.742 -18.391
119 HE21 GLN 22 2HE2 GLN 22 -0.665 1.779 -21.115
120 HE22 GLN 22 1HE2 GLN 22 0.578 2.480 -22.088
121 H TYR 23 H TYR 23 3.407 0.340 -15.418
122 HA TYR 23 HA TYR 23 4.524 -2.371 -15.619
123 HB2 TYR 23 1HB TYR 23 5.899 0.091 -14.536
124 HB3 TYR 23 2HB TYR 23 6.639 -1.445 -14.974
125 HD1 TYR 23 HD1 TYR 23 5.553 -2.028 -17.591
126 HD2 TYR 23 HD2 TYR 23 6.747 1.712 -15.952
127 HE1 TYR 23 HE1 TYR 23 5.982 -1.179 -19.859
128 HE2 TYR 23 HE2 TYR 23 7.178 2.573 -18.216
129 HH TYR 23 HH TYR 23 6.020 1.279 -20.927
130 H GLY 24 H GLY 24 2.384 -0.962 -13.761
131 HA2 GLY 24 1HA GLY 24 1.581 -1.542 -11.673
132 HA3 GLY 24 2HA GLY 24 2.956 -2.622 -11.491
133 H TYR 25 H TYR 25 3.817 0.551 -12.341
134 HA TYR 25 HA TYR 25 4.628 1.069 -9.561
135 HB2 TYR 25 1HB TYR 25 5.787 2.160 -12.134
136 HB3 TYR 25 2HB TYR 25 6.371 2.525 -10.514
137 HD1 TYR 25 HD2 TYR 25 6.284 -0.150 -9.258
138 HD2 TYR 25 HD1 TYR 25 7.556 1.024 -13.145
139 HE1 TYR 25 HE2 TYR 25 7.776 -2.103 -9.354
140 HE2 TYR 25 HE1 TYR 25 9.050 -0.927 -13.252
141 HH TYR 25 HH TYR 25 8.916 -3.472 -10.933
142 H CYS 26 H CYS 26 3.879 2.803 -8.511
143 HA CYS 26 HA CYS 26 1.751 4.330 -9.586
144 HB2 CYS 26 1HB CYS 26 3.383 4.552 -7.063
145 HB3 CYS 26 2HB CYS 26 2.118 5.714 -7.453
146 H GLY 27 H GLY 27 1.662 6.400 -10.358
147 HA2 GLY 27 1HA GLY 27 3.883 8.200 -10.235
148 HA3 GLY 27 2HA GLY 27 3.742 7.449 -11.817
149 H SER 28 H SER 28 3.537 10.158 -11.598
150 HA SER 28 HA SER 28 0.660 10.734 -11.732
151 HB2 SER 28 1HB SER 28 1.743 13.177 -11.904
152 HB3 SER 28 2HB SER 28 1.463 12.380 -10.356
153 HG SER 28 HG SER 28 3.667 13.316 -10.925
154 H GLY 29 H GLY 29 0.097 12.471 -13.410
155 HA2 GLY 29 1HA GLY 29 0.523 13.411 -15.576
156 HA3 GLY 29 2HA GLY 29 1.638 12.090 -15.888
157 HA PRO 30 HA PRO 30 -2.561 11.133 -17.567
158 HB2 PRO 30 1HB PRO 30 -2.295 11.789 -20.206
159 HB3 PRO 30 2HB PRO 30 -3.064 12.837 -19.031
160 HG2 PRO 30 1HG PRO 30 -0.386 13.080 -20.260
161 HG3 PRO 30 2HG PRO 30 -1.330 14.304 -19.434
162 HD2 PRO 30 1HD PRO 30 0.921 12.871 -18.381
163 HD3 PRO 30 2HD PRO 30 -0.094 14.010 -17.518
164 H LYS 31 H LYS 31 0.598 10.572 -18.432
165 HA LYS 31 HA LYS 31 0.073 8.255 -20.057
166 HB2 LYS 31 1HB LYS 31 2.632 9.275 -18.811
167 HB3 LYS 31 2HB LYS 31 2.535 7.931 -19.942
168 HG2 LYS 31 1HG LYS 31 1.223 10.264 -21.007
169 HG3 LYS 31 2HG LYS 31 2.889 10.623 -20.546
170 HD2 LYS 31 1HD LYS 31 2.322 8.130 -22.079
171 HD3 LYS 31 2HD LYS 31 2.317 9.675 -22.932
172 HE2 LYS 31 1HE LYS 31 4.555 9.990 -22.655
173 HE3 LYS 31 2HE LYS 31 4.597 9.129 -21.117
174 HZ1 LYS 31 3HZ LYS 31 4.904 7.144 -22.130
175 HZ2 LYS 31 1HZ LYS 31 5.598 8.117 -23.328
176 HZ3 LYS 31 2HZ LYS 31 4.011 7.560 -23.506
177 H TYR 32 H TYR 32 -0.067 8.843 -16.787
178 HA TYR 32 HA TYR 32 0.462 6.012 -16.158
179 HB2 TYR 32 1HB TYR 32 0.891 8.486 -14.489
180 HB3 TYR 32 2HB TYR 32 0.827 6.875 -13.783
181 HD1 TYR 32 HD2 TYR 32 2.534 8.583 -16.643
182 HD2 TYR 32 HD1 TYR 32 2.854 5.864 -13.387
183 HE1 TYR 32 HE2 TYR 32 4.923 8.275 -17.143
184 HE2 TYR 32 HE1 TYR 32 5.244 5.549 -13.877
185 HH TYR 32 HH TYR 32 6.814 7.281 -16.554
186 H CYS 33 H CYS 33 -1.673 8.753 -15.783
187 HA CYS 33 HA CYS 33 -3.530 7.241 -14.127
188 HB2 CYS 33 1HB CYS 33 -3.374 10.089 -15.062
189 HB3 CYS 33 2HB CYS 33 -4.889 9.448 -14.436
190 H ALA 34 H ALA 34 -3.302 8.571 -17.387
191 HA ALA 34 HA ALA 34 -5.928 7.526 -18.087
192 HB1 ALA 34 1HB ALA 34 -4.801 9.775 -18.864
193 HB2 ALA 34 2HB ALA 34 -4.114 8.734 -20.112
194 HB3 ALA 34 3HB ALA 34 -5.864 8.866 -19.939
195 H HIS 35 H HIS 35 -4.720 5.357 -17.449
196 HA HIS 35 HA HIS 35 -3.041 4.200 -19.445
197 HB2 HIS 35 1HB HIS 35 -3.287 2.136 -18.199
198 HB3 HIS 35 2HB HIS 35 -3.051 3.467 -17.071
199 HD1 HIS 35 HD1 HIS 35 -5.176 4.238 -15.709
200 HD2 HIS 35 HD2 HIS 35 -5.656 0.753 -17.919
201 HE1 HIS 35 HE1 HIS 35 -7.262 3.157 -14.813
202 HE2 HIS 35 HE2 HIS 35 -7.485 1.007 -16.107
Start of MODEL 2
1 H1 SER 1 H SER 1 0.528 0.094 -0.148
2 HA SER 1 HA SER 1 1.885 -0.963 -1.867
3 HB2 SER 1 1HB SER 1 2.815 1.852 -2.108
4 HB3 SER 1 2HB SER 1 2.030 0.818 -3.302
5 HG SER 1 HG SER 1 0.395 2.082 -2.803
6 H GLY 2 H GLY 2 3.935 -1.424 -2.703
7 HA2 GLY 2 1HA GLY 2 6.004 -1.700 -0.818
8 HA3 GLY 2 2HA GLY 2 6.169 -1.928 -2.553
9 HA PRO 3 HA PRO 3 8.213 1.812 -0.820
10 HB2 PRO 3 1HB PRO 3 10.875 1.147 -0.919
11 HB3 PRO 3 2HB PRO 3 9.838 0.913 0.529
12 HG2 PRO 3 1HG PRO 3 10.712 -1.086 -1.556
13 HG3 PRO 3 2HG PRO 3 10.371 -1.327 0.191
14 HD2 PRO 3 1HD PRO 3 8.619 -2.032 -1.867
15 HD3 PRO 3 2HD PRO 3 8.109 -1.684 -0.180
16 H ASN 4 H ASN 4 8.502 0.121 -3.611
17 HA ASN 4 HA ASN 4 9.891 2.292 -5.006
18 HB2 ASN 4 1HB ASN 4 9.432 -0.597 -5.557
19 HB3 ASN 4 2HB ASN 4 9.552 0.480 -6.945
20 HD21 ASN 4 2HD2 ASN 4 11.207 -0.692 -4.089
21 HD22 ASN 4 1HD2 ASN 4 12.805 -0.321 -4.632
22 H GLY 5 H GLY 5 6.836 1.620 -4.138
23 HA2 GLY 5 1HA GLY 5 4.963 2.871 -4.836
24 HA3 GLY 5 2HA GLY 5 5.758 3.157 -6.378
25 H GLN 6 H GLN 6 5.735 -0.065 -5.154
26 HA GLN 6 HA GLN 6 4.447 -1.102 -7.428
27 HB2 GLN 6 1HB GLN 6 4.943 -2.337 -4.716
28 HB3 GLN 6 2HB GLN 6 4.346 -3.229 -6.109
29 HG2 GLN 6 1HG GLN 6 6.519 -3.692 -6.405
30 HG3 GLN 6 2HG GLN 6 6.536 -2.112 -7.186
31 HE21 GLN 6 2HE2 GLN 6 8.387 -3.871 -5.383
32 HE22 GLN 6 1HE2 GLN 6 9.058 -2.706 -4.298
33 H CYS 7 H CYS 7 2.370 -1.452 -7.914
34 HA CYS 7 HA CYS 7 0.370 -1.232 -5.769
35 HB2 CYS 7 1HB CYS 7 -1.103 -0.077 -7.506
36 HB3 CYS 7 2HB CYS 7 0.216 0.874 -6.830
37 H GLY 8 H GLY 8 -1.509 -2.462 -6.031
38 HA2 GLY 8 1HA GLY 8 -2.853 -3.793 -7.684
39 HA3 GLY 8 2HA GLY 8 -1.319 -4.513 -8.150
40 HA PRO 9 HA PRO 9 -3.702 -6.984 -5.419
41 HB2 PRO 9 1HB PRO 9 -2.665 -9.367 -6.756
42 HB3 PRO 9 2HB PRO 9 -4.373 -8.836 -6.598
43 HG2 PRO 9 1HG PRO 9 -2.938 -8.652 -8.950
44 HG3 PRO 9 2HG PRO 9 -4.283 -7.540 -8.525
45 HD2 PRO 9 1HD PRO 9 -1.313 -7.058 -8.488
46 HD3 PRO 9 2HD PRO 9 -2.660 -5.892 -8.714
47 H GLY 10 H GLY 10 -2.436 -6.308 -3.661
48 HA2 GLY 10 1HA GLY 10 -1.867 -7.948 -1.766
49 HA3 GLY 10 2HA GLY 10 -0.510 -8.365 -2.802
50 H TRP 11 H TRP 11 -0.737 -5.288 -3.506
51 HA TRP 11 HA TRP 11 0.926 -4.432 -1.228
52 HB2 TRP 11 1HB TRP 11 1.103 -3.345 -4.039
53 HB3 TRP 11 2HB TRP 11 2.238 -3.103 -2.714
54 HD1 TRP 11 HD1 TRP 11 1.268 -5.617 -5.405
55 HE1 TRP 11 HE1 TRP 11 3.082 -7.439 -5.536
56 HE3 TRP 11 HE3 TRP 11 4.006 -4.334 -1.283
57 HZ2 TRP 11 HZ2 TRP 11 5.370 -8.227 -4.084
58 HZ3 TRP 11 HZ3 TRP 11 5.993 -5.673 -0.723
59 HH2 TRP 11 HH2 TRP 11 6.659 -7.580 -2.095
60 H GLY 12 H GLY 12 -1.629 -3.556 -3.465
61 HA2 GLY 12 1HA GLY 12 -3.445 -2.177 -2.672
62 HA3 GLY 12 2HA GLY 12 -2.283 -1.291 -1.696
63 H GLY 13 H GLY 13 -3.293 0.606 -2.687
64 HA2 GLY 13 1HA GLY 13 -2.090 1.157 -5.328
65 HA3 GLY 13 2HA GLY 13 -3.726 1.666 -4.938
66 H CYS 14 H CYS 14 -2.842 3.794 -5.567
67 HA CYS 14 HA CYS 14 -1.566 5.087 -3.249
68 HB2 CYS 14 1HB CYS 14 -1.082 5.732 -6.166
69 HB3 CYS 14 2HB CYS 14 -0.400 6.606 -4.798
70 H ARG 15 H ARG 15 -1.968 7.471 -3.189
71 HA ARG 15 HA ARG 15 -4.714 8.008 -3.193
72 HB2 ARG 15 1HB ARG 15 -2.694 9.183 -1.979
73 HB3 ARG 15 2HB ARG 15 -2.732 10.238 -3.385
74 HG2 ARG 15 1HG ARG 15 -4.538 11.319 -2.658
75 HG3 ARG 15 2HG ARG 15 -5.361 9.822 -2.212
76 HD2 ARG 15 1HD ARG 15 -3.882 9.741 -0.180
77 HD3 ARG 15 2HD ARG 15 -3.339 11.365 -0.600
78 HE ARG 15 HE ARG 15 -6.196 11.111 -0.408
79 HH11 ARG 15 1HH1 ARG 15 -3.246 11.701 1.344
80 HH12 ARG 15 2HH1 ARG 15 -4.027 12.561 2.629
81 HH21 ARG 15 1HH2 ARG 15 -7.237 12.241 1.278
82 HH22 ARG 15 2HH2 ARG 15 -6.298 12.867 2.591
83 H GLY 16 H GLY 16 -5.691 9.953 -4.360
84 HA2 GLY 16 1HA GLY 16 -5.959 9.435 -7.054
85 HA3 GLY 16 2HA GLY 16 -6.334 10.982 -6.311
86 H GLY 17 H GLY 17 -3.726 11.700 -5.496
87 HA2 GLY 17 1HA GLY 17 -2.775 13.056 -7.706
88 HA3 GLY 17 2HA GLY 17 -1.806 12.684 -6.287
89 H LEU 18 H LEU 18 -1.980 9.806 -6.633
90 HA LEU 18 HA LEU 18 -0.152 9.541 -8.924
91 HB2 LEU 18 1HB LEU 18 -0.344 7.867 -6.424
92 HB3 LEU 18 2HB LEU 18 0.793 7.609 -7.746
93 HG LEU 18 HG LEU 18 0.732 10.063 -5.993
94 HD11 LEU 18 1HD1 LEU 18 2.156 9.097 -4.556
95 HD12 LEU 18 2HD1 LEU 18 3.002 8.215 -5.827
96 HD13 LEU 18 3HD1 LEU 18 1.487 7.588 -5.177
97 HD21 LEU 18 3HD2 LEU 18 2.884 10.553 -7.003
98 HD22 LEU 18 1HD2 LEU 18 1.641 10.419 -8.247
99 HD23 LEU 18 2HD2 LEU 18 2.776 9.094 -7.989
100 H CYS 19 H CYS 19 -0.184 7.495 -10.084
101 HA CYS 19 HA CYS 19 -2.675 5.974 -9.871
102 HB2 CYS 19 1HB CYS 19 -1.682 7.328 -12.384
103 HB3 CYS 19 2HB CYS 19 -2.920 6.077 -12.373
104 H CYS 20 H CYS 20 -2.581 3.876 -10.756
105 HA CYS 20 HA CYS 20 -0.005 2.663 -10.613
106 HB2 CYS 20 1HB CYS 20 -2.396 1.703 -10.062
107 HB3 CYS 20 2HB CYS 20 -2.372 1.235 -11.759
108 H SER 21 H SER 21 1.451 2.560 -12.176
109 HA SER 21 HA SER 21 0.765 3.226 -14.894
110 HB2 SER 21 1HB SER 21 3.086 3.307 -15.311
111 HB3 SER 21 2HB SER 21 2.923 3.869 -13.647
112 HG SER 21 HG SER 21 4.132 2.265 -13.071
113 H GLN 22 H GLN 22 1.880 1.816 -16.657
114 HA GLN 22 HA GLN 22 0.565 -0.698 -16.653
115 HB2 GLN 22 1HB GLN 22 1.216 0.834 -18.646
116 HB3 GLN 22 2HB GLN 22 2.768 0.012 -18.565
117 HG2 GLN 22 1HG GLN 22 1.323 -1.012 -20.220
118 HG3 GLN 22 2HG GLN 22 1.664 -2.131 -18.902
119 HE21 GLN 22 2HE2 GLN 22 -0.742 0.038 -20.251
120 HE22 GLN 22 1HE2 GLN 22 -2.112 -0.730 -19.531
121 H TYR 23 H TYR 23 3.471 0.289 -15.303
122 HA TYR 23 HA TYR 23 4.634 -2.405 -15.456
123 HB2 TYR 23 1HB TYR 23 5.917 0.184 -14.562
124 HB3 TYR 23 2HB TYR 23 6.728 -1.371 -14.715
125 HD1 TYR 23 HD1 TYR 23 7.112 -2.348 -16.959
126 HD2 TYR 23 HD2 TYR 23 5.507 1.561 -16.470
127 HE1 TYR 23 HE1 TYR 23 7.654 -1.840 -19.303
128 HE2 TYR 23 HE2 TYR 23 6.043 2.081 -18.814
129 HH TYR 23 HH TYR 23 6.376 0.448 -21.031
130 H GLY 24 H GLY 24 2.485 -1.011 -13.606
131 HA2 GLY 24 1HA GLY 24 1.719 -1.565 -11.498
132 HA3 GLY 24 2HA GLY 24 3.126 -2.601 -11.305
133 H TYR 25 H TYR 25 3.904 0.565 -12.240
134 HA TYR 25 HA TYR 25 4.726 1.173 -9.482
135 HB2 TYR 25 1HB TYR 25 5.809 2.417 -12.012
136 HB3 TYR 25 2HB TYR 25 6.492 2.512 -10.392
137 HD1 TYR 25 HD1 TYR 25 6.341 -0.317 -9.543
138 HD2 TYR 25 HD2 TYR 25 7.474 1.380 -13.276
139 HE1 TYR 25 HE1 TYR 25 7.732 -2.291 -10.011
140 HE2 TYR 25 HE2 TYR 25 8.867 -0.589 -13.755
141 HH TYR 25 HH TYR 25 10.032 -2.540 -11.786
142 H CYS 26 H CYS 26 3.962 2.923 -8.463
143 HA CYS 26 HA CYS 26 1.798 4.389 -9.606
144 HB2 CYS 26 1HB CYS 26 3.205 4.328 -6.985
145 HB3 CYS 26 2HB CYS 26 2.301 5.787 -7.379
146 H GLY 27 H GLY 27 1.734 6.411 -10.448
147 HA2 GLY 27 1HA GLY 27 3.893 8.279 -10.140
148 HA3 GLY 27 2HA GLY 27 3.864 7.541 -11.735
149 H SER 28 H SER 28 3.595 10.224 -11.569
150 HA SER 28 HA SER 28 0.721 10.772 -11.793
151 HB2 SER 28 1HB SER 28 1.794 13.216 -12.017
152 HB3 SER 28 2HB SER 28 1.488 12.464 -10.452
153 HG SER 28 HG SER 28 3.728 13.383 -11.138
154 H GLY 29 H GLY 29 0.204 12.488 -13.527
155 HA2 GLY 29 1HA GLY 29 0.674 13.358 -15.711
156 HA3 GLY 29 2HA GLY 29 1.780 12.016 -15.967
157 HA PRO 30 HA PRO 30 -2.394 11.055 -17.699
158 HB2 PRO 30 1HB PRO 30 -2.054 11.602 -20.355
159 HB3 PRO 30 2HB PRO 30 -2.831 12.708 -19.241
160 HG2 PRO 30 1HG PRO 30 -0.121 12.857 -20.412
161 HG3 PRO 30 2HG PRO 30 -1.062 14.128 -19.658
162 HD2 PRO 30 1HD PRO 30 1.137 12.701 -18.495
163 HD3 PRO 30 2HD PRO 30 0.123 13.889 -17.702
164 H LYS 31 H LYS 31 0.772 10.394 -18.428
165 HA LYS 31 HA LYS 31 0.244 8.025 -19.982
166 HB2 LYS 31 1HB LYS 31 2.332 9.581 -20.047
167 HB3 LYS 31 2HB LYS 31 2.874 8.630 -18.671
168 HG2 LYS 31 1HG LYS 31 3.038 6.676 -19.929
169 HG3 LYS 31 2HG LYS 31 2.018 7.314 -21.221
170 HD2 LYS 31 1HD LYS 31 3.728 8.747 -21.996
171 HD3 LYS 31 2HD LYS 31 4.691 8.511 -20.536
172 HE2 LYS 31 1HE LYS 31 5.811 6.987 -21.729
173 HE3 LYS 31 2HE LYS 31 4.405 5.954 -21.478
174 HZ1 LYS 31 3HZ LYS 31 5.419 6.835 -23.889
175 HZ2 LYS 31 1HZ LYS 31 3.978 7.694 -23.671
176 HZ3 LYS 31 2HZ LYS 31 3.967 6.004 -23.636
177 H TYR 32 H TYR 32 0.054 8.757 -16.742
178 HA TYR 32 HA TYR 32 0.530 5.949 -15.980
179 HB2 TYR 32 1HB TYR 32 0.918 8.487 -14.394
180 HB3 TYR 32 2HB TYR 32 0.849 6.898 -13.639
181 HD1 TYR 32 HD1 TYR 32 2.613 8.557 -16.494
182 HD2 TYR 32 HD2 TYR 32 2.867 5.886 -13.192
183 HE1 TYR 32 HE1 TYR 32 5.014 8.253 -16.933
184 HE2 TYR 32 HE2 TYR 32 5.269 5.575 -13.621
185 HH TYR 32 HH TYR 32 7.081 6.527 -14.721
186 H CYS 33 H CYS 33 -1.588 8.725 -15.768
187 HA CYS 33 HA CYS 33 -3.518 7.247 -14.152
188 HB2 CYS 33 1HB CYS 33 -3.257 10.109 -15.020
189 HB3 CYS 33 2HB CYS 33 -4.806 9.497 -14.448
190 H ALA 34 H ALA 34 -3.006 8.370 -17.413
191 HA ALA 34 HA ALA 34 -4.243 8.200 -19.330
192 HB1 ALA 34 1HB ALA 34 -4.530 5.586 -17.935
193 HB2 ALA 34 2HB ALA 34 -5.460 5.872 -19.406
194 HB3 ALA 34 3HB ALA 34 -3.700 5.978 -19.441
195 H HIS 35 H HIS 35 -5.562 9.960 -18.015
196 HA HIS 35 HA HIS 35 -8.316 9.448 -18.619
197 HB2 HIS 35 1HB HIS 35 -7.848 8.507 -16.237
198 HB3 HIS 35 2HB HIS 35 -7.814 10.201 -15.755
199 HD1 HIS 35 HD1 HIS 35 -10.040 11.441 -15.642
200 HD2 HIS 35 HD2 HIS 35 -10.384 7.553 -17.066
201 HE1 HIS 35 HE1 HIS 35 -12.506 10.949 -15.665
202 HE2 HIS 35 HE2 HIS 35 -12.684 8.562 -16.449
Start of MODEL 3
1 H1 SER 1 H SER 1 2.180 -0.275 0.766
2 HA SER 1 HA SER 1 2.036 -1.078 -1.939
3 HB2 SER 1 1HB SER 1 2.147 1.887 -1.396
4 HB3 SER 1 2HB SER 1 2.760 1.186 -2.894
5 HG SER 1 HG SER 1 0.554 0.166 -2.962
6 H GLY 2 H GLY 2 4.003 -1.735 -2.589
7 HA2 GLY 2 1HA GLY 2 6.157 -1.915 -0.864
8 HA3 GLY 2 2HA GLY 2 6.276 -2.070 -2.611
9 HA PRO 3 HA PRO 3 8.234 1.676 -0.774
10 HB2 PRO 3 1HB PRO 3 10.914 1.091 -0.879
11 HB3 PRO 3 2HB PRO 3 9.881 0.798 0.561
12 HG2 PRO 3 1HG PRO 3 10.817 -1.133 -1.560
13 HG3 PRO 3 2HG PRO 3 10.479 -1.419 0.180
14 HD2 PRO 3 1HD PRO 3 8.753 -2.133 -1.897
15 HD3 PRO 3 2HD PRO 3 8.229 -1.833 -0.205
16 H ASN 4 H ASN 4 8.579 0.051 -3.597
17 HA ASN 4 HA ASN 4 9.932 2.268 -4.947
18 HB2 ASN 4 1HB ASN 4 9.159 -0.478 -5.959
19 HB3 ASN 4 2HB ASN 4 10.035 0.734 -6.889
20 HD21 ASN 4 2HD2 ASN 4 10.178 -1.432 -4.154
21 HD22 ASN 4 1HD2 ASN 4 11.900 -1.458 -4.018
22 H GLY 5 H GLY 5 6.876 1.532 -4.089
23 HA2 GLY 5 1HA GLY 5 5.001 2.819 -4.736
24 HA3 GLY 5 2HA GLY 5 5.783 3.138 -6.278
25 H GLN 6 H GLN 6 5.725 -0.105 -5.079
26 HA GLN 6 HA GLN 6 4.442 -1.102 -7.379
27 HB2 GLN 6 1HB GLN 6 4.920 -2.384 -4.685
28 HB3 GLN 6 2HB GLN 6 4.335 -3.248 -6.101
29 HG2 GLN 6 1HG GLN 6 6.501 -3.705 -6.416
30 HG3 GLN 6 2HG GLN 6 6.547 -2.087 -7.116
31 HE21 GLN 6 2HE2 GLN 6 8.256 -4.015 -5.260
32 HE22 GLN 6 1HE2 GLN 6 8.960 -2.891 -4.153
33 H CYS 7 H CYS 7 2.362 -1.391 -7.876
34 HA CYS 7 HA CYS 7 0.364 -1.193 -5.724
35 HB2 CYS 7 1HB CYS 7 -1.101 -0.017 -7.452
36 HB3 CYS 7 2HB CYS 7 0.227 0.920 -6.776
37 H GLY 8 H GLY 8 -1.521 -2.411 -5.989
38 HA2 GLY 8 1HA GLY 8 -2.876 -3.724 -7.646
39 HA3 GLY 8 2HA GLY 8 -1.347 -4.451 -8.120
40 HA PRO 9 HA PRO 9 -3.742 -6.921 -5.396
41 HB2 PRO 9 1HB PRO 9 -2.729 -9.304 -6.753
42 HB3 PRO 9 2HB PRO 9 -4.432 -8.760 -6.584
43 HG2 PRO 9 1HG PRO 9 -3.005 -8.573 -8.941
44 HG3 PRO 9 2HG PRO 9 -4.339 -7.452 -8.503
45 HD2 PRO 9 1HD PRO 9 -1.366 -6.994 -8.476
46 HD3 PRO 9 2HD PRO 9 -2.705 -5.816 -8.689
47 H GLY 10 H GLY 10 -2.461 -6.264 -3.640
48 HA2 GLY 10 1HA GLY 10 -1.898 -7.918 -1.756
49 HA3 GLY 10 2HA GLY 10 -0.551 -8.345 -2.801
50 H TRP 11 H TRP 11 -0.751 -5.261 -3.489
51 HA TRP 11 HA TRP 11 0.936 -4.434 -1.218
52 HB2 TRP 11 1HB TRP 11 1.101 -3.330 -4.023
53 HB3 TRP 11 2HB TRP 11 2.250 -3.109 -2.707
54 HD1 TRP 11 HD1 TRP 11 1.231 -5.594 -5.407
55 HE1 TRP 11 HE1 TRP 11 3.025 -7.432 -5.567
56 HE3 TRP 11 HE3 TRP 11 4.017 -4.369 -1.299
57 HZ2 TRP 11 HZ2 TRP 11 5.317 -8.255 -4.139
58 HZ3 TRP 11 HZ3 TRP 11 5.994 -5.733 -0.765
59 HH2 TRP 11 HH2 TRP 11 6.629 -7.635 -2.157
60 H GLY 12 H GLY 12 -1.630 -3.522 -3.428
61 HA2 GLY 12 1HA GLY 12 -3.426 -2.133 -2.594
62 HA3 GLY 12 2HA GLY 12 -2.237 -1.251 -1.647
63 H GLY 13 H GLY 13 -3.263 0.646 -2.631
64 HA2 GLY 13 1HA GLY 13 -2.096 1.182 -5.291
65 HA3 GLY 13 2HA GLY 13 -3.730 1.687 -4.886
66 H CYS 14 H CYS 14 -2.859 3.814 -5.537
67 HA CYS 14 HA CYS 14 -1.567 5.127 -3.240
68 HB2 CYS 14 1HB CYS 14 -1.108 5.763 -6.163
69 HB3 CYS 14 2HB CYS 14 -0.408 6.631 -4.800
70 H ARG 15 H ARG 15 -1.978 7.507 -3.186
71 HA ARG 15 HA ARG 15 -4.726 8.037 -3.183
72 HB2 ARG 15 1HB ARG 15 -2.711 9.220 -1.975
73 HB3 ARG 15 2HB ARG 15 -2.743 10.267 -3.388
74 HG2 ARG 15 1HG ARG 15 -4.712 11.232 -2.804
75 HG3 ARG 15 2HG ARG 15 -5.312 9.781 -1.998
76 HD2 ARG 15 1HD ARG 15 -3.199 10.430 -0.420
77 HD3 ARG 15 2HD ARG 15 -3.741 12.026 -0.938
78 HE ARG 15 HE ARG 15 -5.040 10.302 0.915
79 HH11 ARG 15 1HH1 ARG 15 -5.629 12.679 -1.560
80 HH12 ARG 15 2HH1 ARG 15 -7.152 13.177 -0.901
81 HH21 ARG 15 1HH2 ARG 15 -7.044 10.950 1.792
82 HH22 ARG 15 2HH2 ARG 15 -7.955 12.194 1.006
83 H GLY 16 H GLY 16 -5.712 9.974 -4.353
84 HA2 GLY 16 1HA GLY 16 -5.985 9.445 -7.046
85 HA3 GLY 16 2HA GLY 16 -6.367 10.993 -6.306
86 H GLY 17 H GLY 17 -3.763 11.731 -5.500
87 HA2 GLY 17 1HA GLY 17 -2.824 13.083 -7.718
88 HA3 GLY 17 2HA GLY 17 -1.851 12.723 -6.299
89 H LEU 18 H LEU 18 -2.017 9.840 -6.637
90 HA LEU 18 HA LEU 18 -0.182 9.577 -8.924
91 HB2 LEU 18 1HB LEU 18 -0.376 7.895 -6.430
92 HB3 LEU 18 2HB LEU 18 0.774 7.658 -7.744
93 HG LEU 18 HG LEU 18 0.670 10.010 -5.856
94 HD11 LEU 18 1HD1 LEU 18 2.742 7.844 -6.169
95 HD12 LEU 18 2HD1 LEU 18 1.527 7.901 -4.892
96 HD13 LEU 18 3HD1 LEU 18 2.753 9.163 -4.998
97 HD21 LEU 18 3HD2 LEU 18 2.108 9.531 -8.403
98 HD22 LEU 18 1HD2 LEU 18 3.014 10.280 -7.088
99 HD23 LEU 18 2HD2 LEU 18 1.538 11.039 -7.685
100 H CYS 19 H CYS 19 -0.210 7.540 -10.091
101 HA CYS 19 HA CYS 19 -2.702 6.015 -9.883
102 HB2 CYS 19 1HB CYS 19 -1.682 7.345 -12.399
103 HB3 CYS 19 2HB CYS 19 -2.933 6.106 -12.382
104 H CYS 20 H CYS 20 -2.601 3.909 -10.737
105 HA CYS 20 HA CYS 20 -0.020 2.703 -10.585
106 HB2 CYS 20 1HB CYS 20 -2.398 1.743 -9.998
107 HB3 CYS 20 2HB CYS 20 -2.399 1.260 -11.691
108 H SER 21 H SER 21 1.425 2.559 -12.155
109 HA SER 21 HA SER 21 0.728 3.196 -14.876
110 HB2 SER 21 1HB SER 21 3.045 3.260 -15.307
111 HB3 SER 21 2HB SER 21 2.899 3.835 -13.646
112 HG SER 21 HG SER 21 4.129 2.240 -13.090
113 H GLN 22 H GLN 22 1.790 1.761 -16.636
114 HA GLN 22 HA GLN 22 0.478 -0.756 -16.565
115 HB2 GLN 22 1HB GLN 22 1.525 -1.121 -18.769
116 HB3 GLN 22 2HB GLN 22 0.741 0.449 -18.656
117 HG2 GLN 22 1HG GLN 22 3.302 1.010 -17.870
118 HG3 GLN 22 2HG GLN 22 3.538 -0.222 -19.108
119 HE21 GLN 22 2HE2 GLN 22 4.253 0.935 -20.785
120 HE22 GLN 22 1HE2 GLN 22 3.406 2.253 -21.513
121 H TYR 23 H TYR 23 3.408 0.254 -15.301
122 HA TYR 23 HA TYR 23 4.611 -2.417 -15.499
123 HB2 TYR 23 1HB TYR 23 5.797 0.241 -14.683
124 HB3 TYR 23 2HB TYR 23 6.668 -1.287 -14.626
125 HD1 TYR 23 HD2 TYR 23 5.178 1.241 -16.845
126 HD2 TYR 23 HD1 TYR 23 7.505 -2.315 -16.629
127 HE1 TYR 23 HE2 TYR 23 5.840 1.538 -19.195
128 HE2 TYR 23 HE1 TYR 23 8.174 -2.027 -18.978
129 HH TYR 23 HH TYR 23 6.674 0.270 -21.048
130 H GLY 24 H GLY 24 2.522 -0.927 -13.554
131 HA2 GLY 24 1HA GLY 24 1.762 -1.604 -11.466
132 HA3 GLY 24 2HA GLY 24 3.193 -2.610 -11.303
133 H TYR 25 H TYR 25 3.933 0.562 -12.208
134 HA TYR 25 HA TYR 25 4.715 1.177 -9.439
135 HB2 TYR 25 1HB TYR 25 5.878 2.116 -12.066
136 HB3 TYR 25 2HB TYR 25 6.380 2.723 -10.492
137 HD1 TYR 25 HD1 TYR 25 6.213 -0.337 -12.583
138 HD2 TYR 25 HD2 TYR 25 7.960 1.551 -9.194
139 HE1 TYR 25 HE1 TYR 25 7.828 -2.182 -12.395
140 HE2 TYR 25 HE2 TYR 25 9.581 -0.288 -8.997
141 HH TYR 25 HH TYR 25 10.407 -2.258 -11.224
142 H CYS 26 H CYS 26 3.925 2.928 -8.446
143 HA CYS 26 HA CYS 26 1.788 4.391 -9.631
144 HB2 CYS 26 1HB CYS 26 3.175 4.368 -6.999
145 HB3 CYS 26 2HB CYS 26 2.276 5.822 -7.423
146 H GLY 27 H GLY 27 1.719 6.433 -10.448
147 HA2 GLY 27 1HA GLY 27 3.912 8.269 -10.183
148 HA3 GLY 27 2HA GLY 27 3.835 7.535 -11.778
149 H SER 28 H SER 28 3.609 10.229 -11.576
150 HA SER 28 HA SER 28 0.737 10.811 -11.758
151 HB2 SER 28 1HB SER 28 1.834 13.246 -11.964
152 HB3 SER 28 2HB SER 28 1.538 12.477 -10.404
153 HG SER 28 HG SER 28 3.630 12.165 -10.140
154 H GLY 29 H GLY 29 0.195 12.522 -13.469
155 HA2 GLY 29 1HA GLY 29 0.668 13.428 -15.647
156 HA3 GLY 29 2HA GLY 29 1.740 12.065 -15.934
157 HA PRO 30 HA PRO 30 -2.508 11.218 -17.569
158 HB2 PRO 30 1HB PRO 30 -2.288 11.909 -20.203
159 HB3 PRO 30 2HB PRO 30 -3.020 12.949 -18.998
160 HG2 PRO 30 1HG PRO 30 -0.365 13.179 -20.278
161 HG3 PRO 30 2HG PRO 30 -1.277 14.401 -19.414
162 HD2 PRO 30 1HD PRO 30 0.978 12.927 -18.430
163 HD3 PRO 30 2HD PRO 30 -0.005 14.064 -17.529
164 H LYS 31 H LYS 31 0.625 10.629 -18.501
165 HA LYS 31 HA LYS 31 0.042 8.346 -20.153
166 HB2 LYS 31 1HB LYS 31 2.579 9.498 -19.009
167 HB3 LYS 31 2HB LYS 31 2.566 7.975 -19.889
168 HG2 LYS 31 1HG LYS 31 2.390 8.985 -21.874
169 HG3 LYS 31 2HG LYS 31 1.210 10.157 -21.282
170 HD2 LYS 31 1HD LYS 31 4.023 10.427 -20.361
171 HD3 LYS 31 2HD LYS 31 3.653 10.875 -22.028
172 HE2 LYS 31 1HE LYS 31 1.729 12.245 -21.009
173 HE3 LYS 31 2HE LYS 31 2.581 12.041 -19.479
174 HZ1 LYS 31 3HZ LYS 31 3.242 14.095 -20.483
175 HZ2 LYS 31 1HZ LYS 31 3.639 13.327 -21.937
176 HZ3 LYS 31 2HZ LYS 31 4.554 13.029 -20.547
177 H TYR 32 H TYR 32 -0.034 8.883 -16.872
178 HA TYR 32 HA TYR 32 0.472 6.036 -16.297
179 HB2 TYR 32 1HB TYR 32 0.959 8.481 -14.602
180 HB3 TYR 32 2HB TYR 32 0.874 6.865 -13.911
181 HD1 TYR 32 HD2 TYR 32 2.572 8.557 -16.787
182 HD2 TYR 32 HD1 TYR 32 2.893 5.828 -13.538
183 HE1 TYR 32 HE2 TYR 32 4.949 8.212 -17.319
184 HE2 TYR 32 HE1 TYR 32 5.270 5.476 -14.060
185 HH TYR 32 HH TYR 32 7.124 7.088 -15.369
186 H CYS 33 H CYS 33 -1.628 8.793 -15.844
187 HA CYS 33 HA CYS 33 -3.475 7.277 -14.184
188 HB2 CYS 33 1HB CYS 33 -3.289 10.135 -15.073
189 HB3 CYS 33 2HB CYS 33 -4.817 9.507 -14.463
190 H ALA 34 H ALA 34 -3.282 8.644 -17.429
191 HA ALA 34 HA ALA 34 -5.929 7.635 -18.103
192 HB1 ALA 34 1HB ALA 34 -4.145 8.836 -20.154
193 HB2 ALA 34 2HB ALA 34 -5.886 9.008 -19.925
194 HB3 ALA 34 3HB ALA 34 -4.768 9.879 -18.875
195 H HIS 35 H HIS 35 -4.612 5.472 -17.476
196 HA HIS 35 HA HIS 35 -3.900 3.429 -18.181
197 HB2 HIS 35 1HB HIS 35 -5.927 3.993 -19.764
198 HB3 HIS 35 2HB HIS 35 -4.672 4.091 -20.996
199 HD1 HIS 35 HD1 HIS 35 -6.282 1.973 -21.827
200 HD2 HIS 35 HD2 HIS 35 -3.674 1.337 -18.655
201 HE1 HIS 35 HE1 HIS 35 -6.006 -0.522 -21.672
202 HE2 HIS 35 HE2 HIS 35 -4.492 -0.886 -19.693
Start of MODEL 4
1 H1 SER 1 H SER 1 1.788 -1.307 0.431
2 HA SER 1 HA SER 1 2.090 -0.879 -1.956
3 HB2 SER 1 1HB SER 1 2.213 1.965 -0.941
4 HB3 SER 1 2HB SER 1 2.726 1.499 -2.563
5 HG SER 1 HG SER 1 0.162 0.860 -1.557
6 H GLY 2 H GLY 2 4.010 -1.684 -2.468
7 HA2 GLY 2 1HA GLY 2 6.193 -1.841 -0.781
8 HA3 GLY 2 2HA GLY 2 6.279 -2.032 -2.526
9 HA PRO 3 HA PRO 3 8.290 1.740 -0.800
10 HB2 PRO 3 1HB PRO 3 10.965 1.135 -0.928
11 HB3 PRO 3 2HB PRO 3 9.950 0.882 0.532
12 HG2 PRO 3 1HG PRO 3 10.844 -1.103 -1.557
13 HG3 PRO 3 2HG PRO 3 10.529 -1.347 0.194
14 HD2 PRO 3 1HD PRO 3 8.770 -2.097 -1.841
15 HD3 PRO 3 2HD PRO 3 8.271 -1.755 -0.150
16 H ASN 4 H ASN 4 8.587 0.048 -3.589
17 HA ASN 4 HA ASN 4 9.938 2.221 -5.009
18 HB2 ASN 4 1HB ASN 4 9.118 -0.534 -5.956
19 HB3 ASN 4 2HB ASN 4 10.005 0.647 -6.915
20 HD21 ASN 4 2HD2 ASN 4 10.135 -1.458 -4.128
21 HD22 ASN 4 1HD2 ASN 4 11.857 -1.514 -4.009
22 H GLY 5 H GLY 5 6.886 1.527 -4.093
23 HA2 GLY 5 1HA GLY 5 5.000 2.789 -4.731
24 HA3 GLY 5 2HA GLY 5 5.775 3.125 -6.272
25 H GLN 6 H GLN 6 5.718 -0.127 -5.088
26 HA GLN 6 HA GLN 6 4.443 -1.114 -7.397
27 HB2 GLN 6 1HB GLN 6 4.879 -2.423 -4.708
28 HB3 GLN 6 2HB GLN 6 4.351 -3.268 -6.157
29 HG2 GLN 6 1HG GLN 6 6.533 -3.695 -6.401
30 HG3 GLN 6 2HG GLN 6 6.579 -2.071 -7.084
31 HE21 GLN 6 2HE2 GLN 6 8.213 -4.016 -5.147
32 HE22 GLN 6 1HE2 GLN 6 8.883 -2.886 -4.026
33 H CYS 7 H CYS 7 2.365 -1.396 -7.904
34 HA CYS 7 HA CYS 7 0.359 -1.198 -5.758
35 HB2 CYS 7 1HB CYS 7 -1.100 -0.032 -7.498
36 HB3 CYS 7 2HB CYS 7 0.223 0.910 -6.818
37 H GLY 8 H GLY 8 -1.523 -2.420 -6.023
38 HA2 GLY 8 1HA GLY 8 -2.873 -3.741 -7.678
39 HA3 GLY 8 2HA GLY 8 -1.343 -4.467 -8.147
40 HA PRO 9 HA PRO 9 -3.739 -6.932 -5.421
41 HB2 PRO 9 1HB PRO 9 -2.717 -9.317 -6.765
42 HB3 PRO 9 2HB PRO 9 -4.422 -8.776 -6.603
43 HG2 PRO 9 1HG PRO 9 -2.988 -8.595 -8.957
44 HG3 PRO 9 2HG PRO 9 -4.326 -7.476 -8.527
45 HD2 PRO 9 1HD PRO 9 -1.353 -7.011 -8.492
46 HD3 PRO 9 2HD PRO 9 -2.694 -5.836 -8.714
47 H GLY 10 H GLY 10 -2.466 -6.267 -3.663
48 HA2 GLY 10 1HA GLY 10 -1.905 -7.914 -1.772
49 HA3 GLY 10 2HA GLY 10 -0.552 -8.338 -2.810
50 H TRP 11 H TRP 11 -0.759 -5.259 -3.508
51 HA TRP 11 HA TRP 11 0.913 -4.418 -1.231
52 HB2 TRP 11 1HB TRP 11 1.089 -3.322 -4.039
53 HB3 TRP 11 2HB TRP 11 2.230 -3.093 -2.717
54 HD1 TRP 11 HD1 TRP 11 1.234 -5.590 -5.415
55 HE1 TRP 11 HE1 TRP 11 3.035 -7.422 -5.559
56 HE3 TRP 11 HE3 TRP 11 3.994 -4.342 -1.296
57 HZ2 TRP 11 HZ2 TRP 11 5.323 -8.233 -4.118
58 HZ3 TRP 11 HZ3 TRP 11 5.974 -5.697 -0.749
59 HH2 TRP 11 HH2 TRP 11 6.622 -7.602 -2.131
60 H GLY 12 H GLY 12 -1.643 -3.520 -3.459
61 HA2 GLY 12 1HA GLY 12 -3.449 -2.135 -2.646
62 HA3 GLY 12 2HA GLY 12 -2.273 -1.251 -1.684
63 H GLY 13 H GLY 13 -3.291 0.645 -2.675
64 HA2 GLY 13 1HA GLY 13 -2.096 1.189 -5.321
65 HA3 GLY 13 2HA GLY 13 -3.737 1.688 -4.935
66 H CYS 14 H CYS 14 -2.870 3.820 -5.570
67 HA CYS 14 HA CYS 14 -1.607 5.133 -3.257
68 HB2 CYS 14 1HB CYS 14 -1.122 5.776 -6.174
69 HB3 CYS 14 2HB CYS 14 -0.442 6.649 -4.804
70 H ARG 15 H ARG 15 -2.028 7.513 -3.205
71 HA ARG 15 HA ARG 15 -4.778 8.030 -3.222
72 HB2 ARG 15 1HB ARG 15 -2.762 9.224 -2.010
73 HB3 ARG 15 2HB ARG 15 -2.818 10.279 -3.416
74 HG2 ARG 15 1HG ARG 15 -4.681 11.305 -2.724
75 HG3 ARG 15 2HG ARG 15 -5.422 9.802 -2.172
76 HD2 ARG 15 1HD ARG 15 -4.618 10.022 -0.064
77 HD3 ARG 15 2HD ARG 15 -3.124 10.790 -0.600
78 HE ARG 15 HE ARG 15 -5.289 12.541 -1.019
79 HH11 ARG 15 1HH1 ARG 15 -3.385 11.158 1.547
80 HH12 ARG 15 2HH1 ARG 15 -3.624 12.496 2.622
81 HH21 ARG 15 1HH2 ARG 15 -5.611 14.309 0.387
82 HH22 ARG 15 2HH2 ARG 15 -4.890 14.287 1.961
83 H GLY 16 H GLY 16 -5.763 9.964 -4.398
84 HA2 GLY 16 1HA GLY 16 -6.019 9.435 -7.091
85 HA3 GLY 16 2HA GLY 16 -6.407 10.982 -6.355
86 H GLY 17 H GLY 17 -3.805 11.719 -5.533
87 HA2 GLY 17 1HA GLY 17 -2.857 13.075 -7.744
88 HA3 GLY 17 2HA GLY 17 -1.890 12.713 -6.322
89 H LEU 18 H LEU 18 -2.043 9.834 -6.659
90 HA LEU 18 HA LEU 18 -0.207 9.574 -8.945
91 HB2 LEU 18 1HB LEU 18 -0.395 7.908 -6.439
92 HB3 LEU 18 2HB LEU 18 0.746 7.651 -7.758
93 HG LEU 18 HG LEU 18 0.665 10.031 -5.904
94 HD11 LEU 18 1HD1 LEU 18 2.494 9.151 -4.813
95 HD12 LEU 18 2HD1 LEU 18 2.921 8.091 -6.155
96 HD13 LEU 18 3HD1 LEU 18 1.536 7.705 -5.134
97 HD21 LEU 18 3HD2 LEU 18 1.667 11.089 -7.599
98 HD22 LEU 18 1HD2 LEU 18 1.930 9.595 -8.498
99 HD23 LEU 18 2HD2 LEU 18 3.062 10.074 -7.232
100 H CYS 19 H CYS 19 -0.222 7.524 -10.098
101 HA CYS 19 HA CYS 19 -2.705 5.988 -9.887
102 HB2 CYS 19 1HB CYS 19 -1.709 7.330 -12.407
103 HB3 CYS 19 2HB CYS 19 -2.950 6.081 -12.386
104 H CYS 20 H CYS 20 -2.596 3.888 -10.767
105 HA CYS 20 HA CYS 20 -0.012 2.691 -10.610
106 HB2 CYS 20 1HB CYS 20 -2.398 1.718 -10.062
107 HB3 CYS 20 2HB CYS 20 -2.368 1.245 -11.757
108 H SER 21 H SER 21 1.448 2.574 -12.169
109 HA SER 21 HA SER 21 0.772 3.236 -14.890
110 HB2 SER 21 1HB SER 21 3.093 3.315 -15.299
111 HB3 SER 21 2HB SER 21 2.928 3.875 -13.635
112 HG SER 21 HG SER 21 4.161 2.282 -13.080
113 H GLN 22 H GLN 22 1.865 1.825 -16.653
114 HA GLN 22 HA GLN 22 0.562 -0.697 -16.627
115 HB2 GLN 22 1HB GLN 22 1.107 0.802 -18.642
116 HB3 GLN 22 2HB GLN 22 2.717 0.097 -18.572
117 HG2 GLN 22 1HG GLN 22 1.837 -2.098 -18.960
118 HG3 GLN 22 2HG GLN 22 0.183 -1.499 -18.848
119 HE21 GLN 22 2HE2 GLN 22 1.102 -2.932 -21.028
120 HE22 GLN 22 1HE2 GLN 22 1.136 -1.897 -22.411
121 H TYR 23 H TYR 23 3.472 0.310 -15.313
122 HA TYR 23 HA TYR 23 4.683 -2.358 -15.519
123 HB2 TYR 23 1HB TYR 23 5.818 0.338 -14.786
124 HB3 TYR 23 2HB TYR 23 6.700 -1.160 -14.510
125 HD1 TYR 23 HD2 TYR 23 7.375 -2.566 -16.453
126 HD2 TYR 23 HD1 TYR 23 5.665 1.297 -16.958
127 HE1 TYR 23 HE2 TYR 23 8.212 -2.504 -18.765
128 HE2 TYR 23 HE1 TYR 23 6.496 1.370 -19.272
129 HH TYR 23 HH TYR 23 8.025 0.386 -20.711
130 H GLY 24 H GLY 24 2.568 -0.889 -13.589
131 HA2 GLY 24 1HA GLY 24 1.785 -1.579 -11.514
132 HA3 GLY 24 2HA GLY 24 3.214 -2.587 -11.342
133 H TYR 25 H TYR 25 3.954 0.598 -12.213
134 HA TYR 25 HA TYR 25 4.709 1.188 -9.431
135 HB2 TYR 25 1HB TYR 25 5.901 2.145 -12.038
136 HB3 TYR 25 2HB TYR 25 6.384 2.745 -10.455
137 HD1 TYR 25 HD2 TYR 25 6.254 -0.298 -12.569
138 HD2 TYR 25 HD1 TYR 25 7.945 1.566 -9.138
139 HE1 TYR 25 HE2 TYR 25 7.870 -2.142 -12.371
140 HE2 TYR 25 HE1 TYR 25 9.566 -0.271 -8.931
141 HH TYR 25 HH TYR 25 9.674 -2.720 -9.642
142 H CYS 26 H CYS 26 3.906 2.931 -8.433
143 HA CYS 26 HA CYS 26 1.777 4.397 -9.619
144 HB2 CYS 26 1HB CYS 26 3.163 4.375 -6.986
145 HB3 CYS 26 2HB CYS 26 2.262 5.827 -7.409
146 H GLY 27 H GLY 27 1.704 6.442 -10.431
147 HA2 GLY 27 1HA GLY 27 3.876 8.293 -10.157
148 HA3 GLY 27 2HA GLY 27 3.838 7.546 -11.747
149 H SER 28 H SER 28 3.581 10.231 -11.596
150 HA SER 28 HA SER 28 0.708 10.787 -11.822
151 HB2 SER 28 1HB SER 28 1.787 13.227 -12.051
152 HB3 SER 28 2HB SER 28 1.478 12.480 -10.484
153 HG SER 28 HG SER 28 3.570 12.187 -10.190
154 H GLY 29 H GLY 29 0.198 12.499 -13.561
155 HA2 GLY 29 1HA GLY 29 0.671 13.362 -15.747
156 HA3 GLY 29 2HA GLY 29 1.776 12.019 -15.998
157 HA PRO 30 HA PRO 30 -2.397 11.056 -17.732
158 HB2 PRO 30 1HB PRO 30 -2.053 11.597 -20.389
159 HB3 PRO 30 2HB PRO 30 -2.831 12.706 -19.278
160 HG2 PRO 30 1HG PRO 30 -0.120 12.851 -20.447
161 HG3 PRO 30 2HG PRO 30 -1.061 14.124 -19.697
162 HD2 PRO 30 1HD PRO 30 1.136 12.698 -18.529
163 HD3 PRO 30 2HD PRO 30 0.122 13.889 -17.739
164 H LYS 31 H LYS 31 0.770 10.391 -18.456
165 HA LYS 31 HA LYS 31 0.242 8.019 -20.006
166 HB2 LYS 31 1HB LYS 31 2.340 9.590 -20.033
167 HB3 LYS 31 2HB LYS 31 2.876 8.584 -18.694
168 HG2 LYS 31 1HG LYS 31 3.094 6.708 -20.014
169 HG3 LYS 31 2HG LYS 31 1.967 7.306 -21.233
170 HD2 LYS 31 1HD LYS 31 4.053 7.508 -22.259
171 HD3 LYS 31 2HD LYS 31 3.724 9.135 -21.660
172 HE2 LYS 31 1HE LYS 31 5.167 7.291 -19.845
173 HE3 LYS 31 2HE LYS 31 6.048 7.879 -21.255
174 HZ1 LYS 31 3HZ LYS 31 6.167 9.942 -20.421
175 HZ2 LYS 31 1HZ LYS 31 5.875 9.193 -18.932
176 HZ3 LYS 31 2HZ LYS 31 4.600 9.907 -19.784
177 H TYR 32 H TYR 32 0.050 8.759 -16.767
178 HA TYR 32 HA TYR 32 0.520 5.952 -15.998
179 HB2 TYR 32 1HB TYR 32 0.908 8.491 -14.417
180 HB3 TYR 32 2HB TYR 32 0.837 6.904 -13.659
181 HD1 TYR 32 HD2 TYR 32 2.607 8.558 -16.514
182 HD2 TYR 32 HD1 TYR 32 2.854 5.893 -13.206
183 HE1 TYR 32 HE2 TYR 32 5.008 8.250 -16.949
184 HE2 TYR 32 HE1 TYR 32 5.256 5.579 -13.631
185 HH TYR 32 HH TYR 32 6.944 7.444 -16.102
186 H CYS 33 H CYS 33 -1.594 8.731 -15.795
187 HA CYS 33 HA CYS 33 -3.530 7.259 -14.180
188 HB2 CYS 33 1HB CYS 33 -3.261 10.118 -15.051
189 HB3 CYS 33 2HB CYS 33 -4.813 9.511 -14.483
190 H ALA 34 H ALA 34 -3.010 8.374 -17.442
191 HA ALA 34 HA ALA 34 -4.244 8.203 -19.361
192 HB1 ALA 34 1HB ALA 34 -4.925 6.011 -19.889
193 HB2 ALA 34 2HB ALA 34 -3.567 5.830 -18.777
194 HB3 ALA 34 3HB ALA 34 -5.218 5.609 -18.197
195 H HIS 35 H HIS 35 -5.548 9.746 -17.421
196 HA HIS 35 HA HIS 35 -7.576 10.610 -16.847
197 HB2 HIS 35 1HB HIS 35 -8.047 9.460 -19.576
198 HB3 HIS 35 2HB HIS 35 -9.386 10.180 -18.687
199 HD1 HIS 35 HD1 HIS 35 -8.357 12.695 -17.581
200 HD2 HIS 35 HD2 HIS 35 -7.121 11.311 -21.298
201 HE1 HIS 35 HE1 HIS 35 -7.514 14.722 -18.807
202 HE2 HIS 35 HE2 HIS 35 -6.851 13.874 -21.084
Start of MODEL 5
1 H1 SER 1 H SER 1 1.555 0.729 0.166
2 HA SER 1 HA SER 1 1.918 -0.961 -2.221
3 HB2 SER 1 1HB SER 1 2.946 1.624 -2.733
4 HB3 SER 1 2HB SER 1 1.510 0.878 -3.433
5 HG SER 1 HG SER 1 1.464 2.983 -2.040
6 H GLY 2 H GLY 2 3.938 -1.602 -2.782
7 HA2 GLY 2 1HA GLY 2 5.960 -1.769 -0.893
8 HA3 GLY 2 2HA GLY 2 6.198 -1.974 -2.622
9 HA PRO 3 HA PRO 3 8.134 1.762 -0.779
10 HB2 PRO 3 1HB PRO 3 10.807 1.142 -0.849
11 HB3 PRO 3 2HB PRO 3 9.751 0.855 0.575
12 HG2 PRO 3 1HG PRO 3 10.691 -1.077 -1.545
13 HG3 PRO 3 2HG PRO 3 10.325 -1.368 0.189
14 HD2 PRO 3 1HD PRO 3 8.619 -2.047 -1.916
15 HD3 PRO 3 2HD PRO 3 8.075 -1.750 -0.229
16 H ASN 4 H ASN 4 8.496 0.148 -3.606
17 HA ASN 4 HA ASN 4 9.872 2.377 -4.922
18 HB2 ASN 4 1HB ASN 4 9.469 -0.504 -5.556
19 HB3 ASN 4 2HB ASN 4 9.602 0.613 -6.911
20 HD21 ASN 4 2HD2 ASN 4 11.214 -0.611 -4.052
21 HD22 ASN 4 1HD2 ASN 4 12.817 -0.204 -4.550
22 H GLY 5 H GLY 5 6.816 1.635 -4.122
23 HA2 GLY 5 1HA GLY 5 4.948 2.901 -4.829
24 HA3 GLY 5 2HA GLY 5 5.751 3.183 -6.367
25 H GLN 6 H GLN 6 5.736 -0.034 -5.133
26 HA GLN 6 HA GLN 6 4.463 -1.084 -7.409
27 HB2 GLN 6 1HB GLN 6 4.979 -2.297 -4.693
28 HB3 GLN 6 2HB GLN 6 4.353 -3.205 -6.062
29 HG2 GLN 6 1HG GLN 6 6.520 -3.682 -6.386
30 HG3 GLN 6 2HG GLN 6 6.525 -2.117 -7.197
31 HE21 GLN 6 2HE2 GLN 6 8.428 -3.832 -5.428
32 HE22 GLN 6 1HE2 GLN 6 9.115 -2.655 -4.366
33 H CYS 7 H CYS 7 2.389 -1.446 -7.902
34 HA CYS 7 HA CYS 7 0.380 -1.225 -5.764
35 HB2 CYS 7 1HB CYS 7 -1.094 -0.089 -7.508
36 HB3 CYS 7 2HB CYS 7 0.225 0.873 -6.847
37 H GLY 8 H GLY 8 -1.492 -2.467 -6.025
38 HA2 GLY 8 1HA GLY 8 -2.820 -3.819 -7.674
39 HA3 GLY 8 2HA GLY 8 -1.280 -4.536 -8.124
40 HA PRO 9 HA PRO 9 -3.668 -6.993 -5.385
41 HB2 PRO 9 1HB PRO 9 -2.612 -9.384 -6.694
42 HB3 PRO 9 2HB PRO 9 -4.323 -8.859 -6.550
43 HG2 PRO 9 1HG PRO 9 -2.875 -8.690 -8.895
44 HG3 PRO 9 2HG PRO 9 -4.228 -7.580 -8.488
45 HD2 PRO 9 1HD PRO 9 -1.261 -7.084 -8.439
46 HD3 PRO 9 2HD PRO 9 -2.612 -5.926 -8.684
47 H GLY 10 H GLY 10 -2.414 -6.294 -3.626
48 HA2 GLY 10 1HA GLY 10 -1.849 -7.915 -1.713
49 HA3 GLY 10 2HA GLY 10 -0.484 -8.334 -2.736
50 H TRP 11 H TRP 11 -0.722 -5.265 -3.470
51 HA TRP 11 HA TRP 11 0.921 -4.379 -1.189
52 HB2 TRP 11 1HB TRP 11 1.113 -3.318 -4.009
53 HB3 TRP 11 2HB TRP 11 2.238 -3.059 -2.679
54 HD1 TRP 11 HD1 TRP 11 1.297 -5.602 -5.353
55 HE1 TRP 11 HE1 TRP 11 3.119 -7.417 -5.455
56 HE3 TRP 11 HE3 TRP 11 4.001 -4.270 -1.225
57 HZ2 TRP 11 HZ2 TRP 11 5.400 -8.183 -3.980
58 HZ3 TRP 11 HZ3 TRP 11 5.989 -5.596 -0.639
59 HH2 TRP 11 HH2 TRP 11 6.672 -7.512 -1.989
60 H GLY 12 H GLY 12 -1.623 -3.538 -3.451
61 HA2 GLY 12 1HA GLY 12 -3.451 -2.160 -2.684
62 HA3 GLY 12 2HA GLY 12 -2.300 -1.258 -1.709
63 H GLY 13 H GLY 13 -3.309 0.625 -2.726
64 HA2 GLY 13 1HA GLY 13 -2.084 1.158 -5.360
65 HA3 GLY 13 2HA GLY 13 -3.732 1.652 -4.997
66 H CYS 14 H CYS 14 -2.854 3.782 -5.641
67 HA CYS 14 HA CYS 14 -1.633 5.117 -3.317
68 HB2 CYS 14 1HB CYS 14 -1.102 5.727 -6.233
69 HB3 CYS 14 2HB CYS 14 -0.456 6.629 -4.866
70 H ARG 15 H ARG 15 -2.149 7.410 -3.133
71 HA ARG 15 HA ARG 15 -4.896 7.913 -3.352
72 HB2 ARG 15 1HB ARG 15 -2.515 9.658 -2.793
73 HB3 ARG 15 2HB ARG 15 -4.123 10.355 -2.937
74 HG2 ARG 15 1HG ARG 15 -4.327 9.957 -0.761
75 HG3 ARG 15 2HG ARG 15 -4.515 8.260 -1.204
76 HD2 ARG 15 1HD ARG 15 -2.342 7.734 -0.647
77 HD3 ARG 15 2HD ARG 15 -1.773 9.387 -0.879
78 HE ARG 15 HE ARG 15 -3.470 9.544 1.251
79 HH11 ARG 15 1HH1 ARG 15 -0.639 7.666 0.494
80 HH12 ARG 15 2HH1 ARG 15 -0.127 7.532 2.144
81 HH21 ARG 15 1HH2 ARG 15 -2.807 9.375 3.427
82 HH22 ARG 15 2HH2 ARG 15 -1.362 8.503 3.811
83 H GLY 16 H GLY 16 -5.729 10.008 -4.441
84 HA2 GLY 16 1HA GLY 16 -5.797 9.658 -7.179
85 HA3 GLY 16 2HA GLY 16 -6.200 11.165 -6.370
86 H GLY 17 H GLY 17 -3.534 11.565 -5.280
87 HA2 GLY 17 1HA GLY 17 -2.413 13.121 -7.302
88 HA3 GLY 17 2HA GLY 17 -1.563 12.588 -5.859
89 H LEU 18 H LEU 18 -2.131 9.729 -6.743
90 HA LEU 18 HA LEU 18 -0.156 9.573 -8.918
91 HB2 LEU 18 1HB LEU 18 -0.243 7.892 -6.419
92 HB3 LEU 18 2HB LEU 18 0.803 7.581 -7.803
93 HG LEU 18 HG LEU 18 0.922 10.111 -6.171
94 HD11 LEU 18 1HD1 LEU 18 2.997 8.015 -5.906
95 HD12 LEU 18 2HD1 LEU 18 1.467 7.752 -5.071
96 HD13 LEU 18 3HD1 LEU 18 2.418 9.197 -4.732
97 HD21 LEU 18 3HD2 LEU 18 2.154 10.736 -7.929
98 HD22 LEU 18 1HD2 LEU 18 2.267 9.090 -8.551
99 HD23 LEU 18 2HD2 LEU 18 3.377 9.634 -7.293
100 H CYS 19 H CYS 19 -0.173 7.492 -10.068
101 HA CYS 19 HA CYS 19 -2.676 5.991 -9.845
102 HB2 CYS 19 1HB CYS 19 -1.679 7.334 -12.363
103 HB3 CYS 19 2HB CYS 19 -2.924 6.088 -12.348
104 H CYS 20 H CYS 20 -2.599 3.888 -10.714
105 HA CYS 20 HA CYS 20 -0.028 2.661 -10.584
106 HB2 CYS 20 1HB CYS 20 -2.399 1.709 -9.988
107 HB3 CYS 20 2HB CYS 20 -2.433 1.257 -11.689
108 H SER 21 H SER 21 1.414 2.551 -12.159
109 HA SER 21 HA SER 21 0.704 3.194 -14.876
110 HB2 SER 21 1HB SER 21 3.020 3.275 -15.313
111 HB3 SER 21 2HB SER 21 2.874 3.844 -13.650
112 HG SER 21 HG SER 21 4.094 2.244 -13.084
113 H GLN 22 H GLN 22 1.788 1.771 -16.640
114 HA GLN 22 HA GLN 22 0.481 -0.746 -16.595
115 HB2 GLN 22 1HB GLN 22 1.077 0.763 -18.613
116 HB3 GLN 22 2HB GLN 22 2.647 -0.026 -18.548
117 HG2 GLN 22 1HG GLN 22 1.874 -1.892 -19.482
118 HG3 GLN 22 2HG GLN 22 0.425 -1.903 -18.478
119 HE21 GLN 22 2HE2 GLN 22 1.870 -0.606 -21.395
120 HE22 GLN 22 1HE2 GLN 22 0.385 -0.234 -22.194
121 H TYR 23 H TYR 23 3.405 0.260 -15.301
122 HA TYR 23 HA TYR 23 4.580 -2.428 -15.460
123 HB2 TYR 23 1HB TYR 23 5.851 0.181 -14.604
124 HB3 TYR 23 2HB TYR 23 6.675 -1.369 -14.729
125 HD1 TYR 23 HD1 TYR 23 5.605 -2.394 -17.281
126 HD2 TYR 23 HD2 TYR 23 6.878 1.522 -16.211
127 HE1 TYR 23 HE1 TYR 23 6.131 -1.927 -19.638
128 HE2 TYR 23 HE2 TYR 23 7.406 2.000 -18.565
129 HH TYR 23 HH TYR 23 6.730 -0.363 -21.116
130 H GLY 24 H GLY 24 2.452 -1.027 -13.581
131 HA2 GLY 24 1HA GLY 24 1.716 -1.586 -11.463
132 HA3 GLY 24 2HA GLY 24 3.130 -2.615 -11.287
133 H TYR 25 H TYR 25 3.885 0.550 -12.238
134 HA TYR 25 HA TYR 25 4.735 1.169 -9.491
135 HB2 TYR 25 1HB TYR 25 5.793 2.354 -12.063
136 HB3 TYR 25 2HB TYR 25 6.468 2.550 -10.449
137 HD1 TYR 25 HD1 TYR 25 6.481 -0.166 -9.400
138 HD2 TYR 25 HD2 TYR 25 7.382 1.225 -13.319
139 HE1 TYR 25 HE1 TYR 25 7.918 -2.130 -9.760
140 HE2 TYR 25 HE2 TYR 25 8.821 -0.735 -13.690
141 HH TYR 25 HH TYR 25 10.140 -2.357 -12.207
142 H CYS 26 H CYS 26 3.968 2.915 -8.471
143 HA CYS 26 HA CYS 26 1.800 4.381 -9.608
144 HB2 CYS 26 1HB CYS 26 3.210 4.315 -6.990
145 HB3 CYS 26 2HB CYS 26 2.307 5.775 -7.380
146 H GLY 27 H GLY 27 1.738 6.393 -10.464
147 HA2 GLY 27 1HA GLY 27 3.911 8.255 -10.158
148 HA3 GLY 27 2HA GLY 27 3.848 7.530 -11.758
149 H SER 28 H SER 28 3.599 10.221 -11.542
150 HA SER 28 HA SER 28 0.726 10.787 -11.725
151 HB2 SER 28 1HB SER 28 1.810 13.226 -11.935
152 HB3 SER 28 2HB SER 28 1.522 12.457 -10.374
153 HG SER 28 HG SER 28 3.586 12.805 -10.124
154 H GLY 29 H GLY 29 0.169 12.493 -13.435
155 HA2 GLY 29 1HA GLY 29 0.624 13.399 -15.615
156 HA3 GLY 29 2HA GLY 29 1.715 12.051 -15.902
157 HA PRO 30 HA PRO 30 -2.513 11.144 -17.549
158 HB2 PRO 30 1HB PRO 30 -2.273 11.799 -20.191
159 HB3 PRO 30 2HB PRO 30 -3.020 12.852 -19.007
160 HG2 PRO 30 1HG PRO 30 -0.356 13.076 -20.267
161 HG3 PRO 30 2HG PRO 30 -1.281 14.306 -19.430
162 HD2 PRO 30 1HD PRO 30 0.972 12.858 -18.404
163 HD3 PRO 30 2HD PRO 30 -0.025 14.003 -17.529
164 H LYS 31 H LYS 31 0.632 10.557 -18.442
165 HA LYS 31 HA LYS 31 0.076 8.248 -20.068
166 HB2 LYS 31 1HB LYS 31 2.152 9.823 -20.116
167 HB3 LYS 31 2HB LYS 31 2.738 8.811 -18.801
168 HG2 LYS 31 1HG LYS 31 3.235 7.113 -20.167
169 HG3 LYS 31 2HG LYS 31 1.761 7.314 -21.117
170 HD2 LYS 31 1HD LYS 31 3.547 7.789 -22.588
171 HD3 LYS 31 2HD LYS 31 2.864 9.354 -22.141
172 HE2 LYS 31 1HE LYS 31 4.636 9.569 -20.413
173 HE3 LYS 31 2HE LYS 31 5.348 8.070 -21.010
174 HZ1 LYS 31 3HZ LYS 31 5.093 10.652 -22.441
175 HZ2 LYS 31 1HZ LYS 31 5.483 9.206 -23.229
176 HZ3 LYS 31 2HZ LYS 31 6.511 9.823 -22.036
177 H TYR 32 H TYR 32 -0.038 8.830 -16.796
178 HA TYR 32 HA TYR 32 0.470 5.993 -16.177
179 HB2 TYR 32 1HB TYR 32 0.934 8.462 -14.511
180 HB3 TYR 32 2HB TYR 32 0.844 6.856 -13.798
181 HD1 TYR 32 HD1 TYR 32 2.571 8.510 -16.679
182 HD2 TYR 32 HD2 TYR 32 2.859 5.825 -13.391
183 HE1 TYR 32 HE1 TYR 32 4.954 8.162 -17.180
184 HE2 TYR 32 HE2 TYR 32 5.243 5.470 -13.882
185 HH TYR 32 HH TYR 32 6.667 5.889 -16.481
186 H CYS 33 H CYS 33 -1.642 8.750 -15.782
187 HA CYS 33 HA CYS 33 -3.505 7.242 -14.129
188 HB2 CYS 33 1HB CYS 33 -3.314 10.098 -15.028
189 HB3 CYS 33 2HB CYS 33 -4.841 9.470 -14.417
190 H ALA 34 H ALA 34 -3.282 8.611 -17.373
191 HA ALA 34 HA ALA 34 -5.920 7.595 -18.072
192 HB1 ALA 34 1HB ALA 34 -4.161 8.777 -20.139
193 HB2 ALA 34 2HB ALA 34 -5.885 9.007 -19.848
194 HB3 ALA 34 3HB ALA 34 -4.702 9.838 -18.837
195 H HIS 35 H HIS 35 -4.385 5.493 -17.394
196 HA HIS 35 HA HIS 35 -3.593 3.477 -18.093
197 HB2 HIS 35 1HB HIS 35 -4.997 4.233 -20.664
198 HB3 HIS 35 2HB HIS 35 -4.488 2.610 -20.209
199 HD1 HIS 35 HD1 HIS 35 -5.562 2.152 -17.519
200 HD2 HIS 35 HD2 HIS 35 -7.664 4.379 -20.328
201 HE1 HIS 35 HE1 HIS 35 -7.964 2.075 -16.778
202 HE2 HIS 35 HE2 HIS 35 -9.228 3.357 -18.539
Start of MODEL 6
1 H1 SER 1 H SER 1 2.038 0.106 0.641
2 HA SER 1 HA SER 1 1.947 -0.980 -2.004
3 HB2 SER 1 1HB SER 1 2.374 2.004 -1.716
4 HB3 SER 1 2HB SER 1 2.570 1.079 -3.204
5 HG SER 1 HG SER 1 0.198 1.595 -1.753
6 H GLY 2 H GLY 2 3.938 -1.619 -2.668
7 HA2 GLY 2 1HA GLY 2 6.036 -1.835 -0.866
8 HA3 GLY 2 2HA GLY 2 6.200 -2.013 -2.607
9 HA PRO 3 HA PRO 3 8.204 1.701 -0.770
10 HB2 PRO 3 1HB PRO 3 10.872 1.064 -0.868
11 HB3 PRO 3 2HB PRO 3 9.830 0.787 0.568
12 HG2 PRO 3 1HG PRO 3 10.735 -1.155 -1.557
13 HG3 PRO 3 2HG PRO 3 10.386 -1.439 0.181
14 HD2 PRO 3 1HD PRO 3 8.653 -2.113 -1.903
15 HD3 PRO 3 2HD PRO 3 8.130 -1.809 -0.212
16 H ASN 4 H ASN 4 8.524 0.079 -3.597
17 HA ASN 4 HA ASN 4 9.900 2.295 -4.934
18 HB2 ASN 4 1HB ASN 4 9.476 -0.585 -5.552
19 HB3 ASN 4 2HB ASN 4 9.590 0.525 -6.915
20 HD21 ASN 4 2HD2 ASN 4 11.244 -0.672 -4.065
21 HD22 ASN 4 1HD2 ASN 4 12.840 -0.278 -4.596
22 H GLY 5 H GLY 5 6.850 1.584 -4.095
23 HA2 GLY 5 1HA GLY 5 4.977 2.849 -4.783
24 HA3 GLY 5 2HA GLY 5 5.769 3.140 -6.324
25 H GLN 6 H GLN 6 5.761 -0.087 -5.123
26 HA GLN 6 HA GLN 6 4.473 -1.119 -7.394
27 HB2 GLN 6 1HB GLN 6 4.982 -2.348 -4.683
28 HB3 GLN 6 2HB GLN 6 4.354 -3.246 -6.058
29 HG2 GLN 6 1HG GLN 6 6.518 -3.731 -6.382
30 HG3 GLN 6 2HG GLN 6 6.534 -2.161 -7.183
31 HE21 GLN 6 2HE2 GLN 6 8.428 -3.894 -5.426
32 HE22 GLN 6 1HE2 GLN 6 9.117 -2.728 -4.354
33 H CYS 7 H CYS 7 2.397 -1.430 -7.895
34 HA CYS 7 HA CYS 7 0.390 -1.220 -5.753
35 HB2 CYS 7 1HB CYS 7 -1.075 -0.064 -7.493
36 HB3 CYS 7 2HB CYS 7 0.248 0.884 -6.823
37 H GLY 8 H GLY 8 -1.493 -2.445 -6.021
38 HA2 GLY 8 1HA GLY 8 -2.829 -3.779 -7.678
39 HA3 GLY 8 2HA GLY 8 -1.295 -4.506 -8.129
40 HA PRO 9 HA PRO 9 -3.708 -6.953 -5.403
41 HB2 PRO 9 1HB PRO 9 -2.674 -9.348 -6.721
42 HB3 PRO 9 2HB PRO 9 -4.380 -8.808 -6.576
43 HG2 PRO 9 1HG PRO 9 -2.929 -8.642 -8.920
44 HG3 PRO 9 2HG PRO 9 -4.271 -7.522 -8.509
45 HD2 PRO 9 1HD PRO 9 -1.300 -7.053 -8.456
46 HD3 PRO 9 2HD PRO 9 -2.640 -5.882 -8.696
47 H GLY 10 H GLY 10 -2.449 -6.274 -3.640
48 HA2 GLY 10 1HA GLY 10 -1.901 -7.906 -1.733
49 HA3 GLY 10 2HA GLY 10 -0.539 -8.336 -2.758
50 H TRP 11 H TRP 11 -0.745 -5.262 -3.481
51 HA TRP 11 HA TRP 11 0.908 -4.403 -1.197
52 HB2 TRP 11 1HB TRP 11 1.107 -3.331 -4.013
53 HB3 TRP 11 2HB TRP 11 2.237 -3.088 -2.683
54 HD1 TRP 11 HD1 TRP 11 1.266 -5.610 -5.367
55 HE1 TRP 11 HE1 TRP 11 3.070 -7.442 -5.481
56 HE3 TRP 11 HE3 TRP 11 3.990 -4.323 -1.237
57 HZ2 TRP 11 HZ2 TRP 11 5.346 -8.237 -4.013
58 HZ3 TRP 11 HZ3 TRP 11 5.966 -5.671 -0.661
59 HH2 TRP 11 HH2 TRP 11 6.628 -7.588 -2.021
60 H GLY 12 H GLY 12 -1.631 -3.527 -3.451
61 HA2 GLY 12 1HA GLY 12 -3.444 -2.135 -2.667
62 HA3 GLY 12 2HA GLY 12 -2.277 -1.243 -1.702
63 H GLY 13 H GLY 13 -3.285 0.646 -2.715
64 HA2 GLY 13 1HA GLY 13 -2.054 1.177 -5.346
65 HA3 GLY 13 2HA GLY 13 -3.708 1.660 -4.999
66 H CYS 14 H CYS 14 -2.838 3.794 -5.641
67 HA CYS 14 HA CYS 14 -1.637 5.140 -3.313
68 HB2 CYS 14 1HB CYS 14 -1.115 5.762 -6.228
69 HB3 CYS 14 2HB CYS 14 -0.474 6.663 -4.858
70 H ARG 15 H ARG 15 -2.152 7.452 -3.166
71 HA ARG 15 HA ARG 15 -4.911 7.923 -3.364
72 HB2 ARG 15 1HB ARG 15 -2.569 9.761 -2.892
73 HB3 ARG 15 2HB ARG 15 -4.229 10.341 -2.898
74 HG2 ARG 15 1HG ARG 15 -3.607 8.023 -1.164
75 HG3 ARG 15 2HG ARG 15 -2.984 9.601 -0.678
76 HD2 ARG 15 1HD ARG 15 -4.988 9.913 0.263
77 HD3 ARG 15 2HD ARG 15 -5.571 10.171 -1.380
78 HE ARG 15 HE ARG 15 -5.561 7.412 -0.573
79 HH11 ARG 15 1HH1 ARG 15 -7.362 10.391 -0.574
80 HH12 ARG 15 2HH1 ARG 15 -8.901 9.613 -0.413
81 HH21 ARG 15 1HH2 ARG 15 -7.581 6.375 -0.360
82 HH22 ARG 15 2HH2 ARG 15 -9.025 7.328 -0.290
83 H GLY 16 H GLY 16 -5.766 10.006 -4.460
84 HA2 GLY 16 1HA GLY 16 -5.842 9.642 -7.196
85 HA3 GLY 16 2HA GLY 16 -6.254 11.149 -6.392
86 H GLY 17 H GLY 17 -3.588 11.578 -5.314
87 HA2 GLY 17 1HA GLY 17 -2.488 13.130 -7.353
88 HA3 GLY 17 2HA GLY 17 -1.632 12.621 -5.905
89 H LEU 18 H LEU 18 -2.180 9.747 -6.771
90 HA LEU 18 HA LEU 18 -0.194 9.591 -8.936
91 HB2 LEU 18 1HB LEU 18 -0.283 7.923 -6.427
92 HB3 LEU 18 2HB LEU 18 0.772 7.612 -7.805
93 HG LEU 18 HG LEU 18 0.867 10.152 -6.187
94 HD11 LEU 18 1HD1 LEU 18 3.125 8.783 -5.545
95 HD12 LEU 18 2HD1 LEU 18 1.936 7.484 -5.616
96 HD13 LEU 18 3HD1 LEU 18 1.675 8.860 -4.544
97 HD21 LEU 18 3HD2 LEU 18 3.296 9.324 -7.485
98 HD22 LEU 18 1HD2 LEU 18 2.389 10.827 -7.655
99 HD23 LEU 18 2HD2 LEU 18 1.978 9.432 -8.652
100 H CYS 19 H CYS 19 -0.194 7.505 -10.076
101 HA CYS 19 HA CYS 19 -2.686 5.987 -9.853
102 HB2 CYS 19 1HB CYS 19 -1.693 7.320 -12.378
103 HB3 CYS 19 2HB CYS 19 -2.937 6.074 -12.353
104 H CYS 20 H CYS 20 -2.591 3.882 -10.717
105 HA CYS 20 HA CYS 20 -0.011 2.675 -10.576
106 HB2 CYS 20 1HB CYS 20 -2.376 1.707 -9.982
107 HB3 CYS 20 2HB CYS 20 -2.403 1.248 -11.681
108 H SER 21 H SER 21 1.434 2.548 -12.148
109 HA SER 21 HA SER 21 0.732 3.192 -14.867
110 HB2 SER 21 1HB SER 21 3.049 3.266 -15.299
111 HB3 SER 21 2HB SER 21 2.902 3.835 -13.636
112 HG SER 21 HG SER 21 4.140 2.244 -13.087
113 H GLN 22 H GLN 22 1.799 1.768 -16.632
114 HA GLN 22 HA GLN 22 0.497 -0.754 -16.571
115 HB2 GLN 22 1HB GLN 22 1.178 0.826 -18.578
116 HB3 GLN 22 2HB GLN 22 2.631 -0.164 -18.573
117 HG2 GLN 22 1HG GLN 22 1.288 -2.168 -18.869
118 HG3 GLN 22 2HG GLN 22 -0.184 -1.197 -18.833
119 HE21 GLN 22 2HE2 GLN 22 0.071 0.779 -20.436
120 HE22 GLN 22 1HE2 GLN 22 0.530 0.320 -22.037
121 H TYR 23 H TYR 23 3.424 0.262 -15.303
122 HA TYR 23 HA TYR 23 4.634 -2.406 -15.510
123 HB2 TYR 23 1HB TYR 23 5.754 0.314 -14.880
124 HB3 TYR 23 2HB TYR 23 6.641 -1.150 -14.470
125 HD1 TYR 23 HD2 TYR 23 7.384 -2.687 -16.283
126 HD2 TYR 23 HD1 TYR 23 5.651 1.107 -17.122
127 HE1 TYR 23 HE2 TYR 23 8.285 -2.788 -18.569
128 HE2 TYR 23 HE1 TYR 23 6.546 1.016 -19.411
129 HH TYR 23 HH TYR 23 8.568 -1.694 -20.487
130 H GLY 24 H GLY 24 2.542 -0.928 -13.560
131 HA2 GLY 24 1HA GLY 24 1.785 -1.610 -11.472
132 HA3 GLY 24 2HA GLY 24 3.218 -2.615 -11.313
133 H TYR 25 H TYR 25 3.946 0.564 -12.209
134 HA TYR 25 HA TYR 25 4.732 1.170 -9.439
135 HB2 TYR 25 1HB TYR 25 5.893 2.116 -12.065
136 HB3 TYR 25 2HB TYR 25 6.395 2.722 -10.491
137 HD1 TYR 25 HD1 TYR 25 6.237 -0.331 -12.589
138 HD2 TYR 25 HD2 TYR 25 7.972 1.549 -9.189
139 HE1 TYR 25 HE1 TYR 25 7.856 -2.173 -12.405
140 HE2 TYR 25 HE2 TYR 25 9.596 -0.288 -8.996
141 HH TYR 25 HH TYR 25 10.170 -2.499 -11.426
142 H CYS 26 H CYS 26 3.941 2.918 -8.441
143 HA CYS 26 HA CYS 26 1.799 4.379 -9.615
144 HB2 CYS 26 1HB CYS 26 3.201 4.360 -6.991
145 HB3 CYS 26 2HB CYS 26 2.299 5.812 -7.410
146 H GLY 27 H GLY 27 1.724 6.415 -10.442
147 HA2 GLY 27 1HA GLY 27 3.915 8.258 -10.188
148 HA3 GLY 27 2HA GLY 27 3.830 7.522 -11.782
149 H SER 28 H SER 28 3.599 10.217 -11.577
150 HA SER 28 HA SER 28 0.726 10.792 -11.746
151 HB2 SER 28 1HB SER 28 1.816 13.229 -11.957
152 HB3 SER 28 2HB SER 28 1.530 12.460 -10.396
153 HG SER 28 HG SER 28 3.608 12.298 -10.102
154 H GLY 29 H GLY 29 0.172 12.503 -13.454
155 HA2 GLY 29 1HA GLY 29 0.631 13.409 -15.634
156 HA3 GLY 29 2HA GLY 29 1.708 12.051 -15.926
157 HA PRO 30 HA PRO 30 -2.542 11.185 -17.547
158 HB2 PRO 30 1HB PRO 30 -2.328 11.868 -20.184
159 HB3 PRO 30 2HB PRO 30 -3.060 12.911 -18.981
160 HG2 PRO 30 1HG PRO 30 -0.408 13.141 -20.267
161 HG3 PRO 30 2HG PRO 30 -1.321 14.365 -19.406
162 HD2 PRO 30 1HD PRO 30 0.939 12.898 -18.420
163 HD3 PRO 30 2HD PRO 30 -0.045 14.037 -17.522
164 H LYS 31 H LYS 31 0.592 10.600 -18.483
165 HA LYS 31 HA LYS 31 0.009 8.310 -20.125
166 HB2 LYS 31 1HB LYS 31 2.609 9.268 -18.913
167 HB3 LYS 31 2HB LYS 31 2.463 7.961 -20.081
168 HG2 LYS 31 1HG LYS 31 2.639 9.434 -21.718
169 HG3 LYS 31 2HG LYS 31 1.140 10.195 -21.181
170 HD2 LYS 31 1HD LYS 31 2.612 11.966 -21.086
171 HD3 LYS 31 2HD LYS 31 2.696 11.356 -19.432
172 HE2 LYS 31 1HE LYS 31 4.582 10.075 -21.261
173 HE3 LYS 31 2HE LYS 31 4.841 11.809 -21.078
174 HZ1 LYS 31 3HZ LYS 31 5.821 9.968 -19.412
175 HZ2 LYS 31 1HZ LYS 31 4.383 10.361 -18.612
176 HZ3 LYS 31 2HZ LYS 31 5.511 11.570 -18.965
177 H TYR 32 H TYR 32 -0.061 8.858 -16.847
178 HA TYR 32 HA TYR 32 0.455 6.015 -16.262
179 HB2 TYR 32 1HB TYR 32 0.936 8.469 -14.578
180 HB3 TYR 32 2HB TYR 32 0.856 6.855 -13.879
181 HD1 TYR 32 HD1 TYR 32 2.548 8.535 -16.766
182 HD2 TYR 32 HD2 TYR 32 2.877 5.825 -13.503
183 HE1 TYR 32 HE1 TYR 32 4.924 8.193 -17.298
184 HE2 TYR 32 HE2 TYR 32 5.255 5.476 -14.025
185 HH TYR 32 HH TYR 32 6.640 6.117 -16.802
186 H CYS 33 H CYS 33 -1.654 8.767 -15.816
187 HA CYS 33 HA CYS 33 -3.495 7.246 -14.151
188 HB2 CYS 33 1HB CYS 33 -3.315 10.105 -15.038
189 HB3 CYS 33 2HB CYS 33 -4.841 9.475 -14.427
190 H ALA 34 H ALA 34 -3.311 8.620 -17.395
191 HA ALA 34 HA ALA 34 -5.956 7.604 -18.067
192 HB1 ALA 34 1HB ALA 34 -4.738 9.846 -18.844
193 HB2 ALA 34 2HB ALA 34 -4.225 8.785 -20.156
194 HB3 ALA 34 3HB ALA 34 -5.942 9.022 -19.835
195 H HIS 35 H HIS 35 -4.406 5.504 -17.406
196 HA HIS 35 HA HIS 35 -3.610 3.492 -18.114
197 HB2 HIS 35 1HB HIS 35 -4.972 4.152 -20.729
198 HB3 HIS 35 2HB HIS 35 -4.613 2.552 -20.086
199 HD1 HIS 35 HD1 HIS 35 -7.378 4.633 -20.566
200 HD2 HIS 35 HD2 HIS 35 -6.045 2.374 -17.343
201 HE1 HIS 35 HE1 HIS 35 -9.399 4.277 -19.112
202 HE2 HIS 35 HE2 HIS 35 -8.550 2.981 -17.127
Start of MODEL 7
1 H1 SER 1 H SER 1 1.433 0.040 0.685
2 HA SER 1 HA SER 1 1.568 -0.900 -1.887
3 HB2 SER 1 1HB SER 1 1.807 2.119 -1.864
4 HB3 SER 1 2HB SER 1 2.118 1.069 -3.247
5 HG SER 1 HG SER 1 0.000 0.662 -3.439
6 H GLY 2 H GLY 2 3.640 -1.428 -2.408
7 HA2 GLY 2 1HA GLY 2 5.631 -1.369 -0.478
8 HA3 GLY 2 2HA GLY 2 5.914 -1.654 -2.189
9 HA PRO 3 HA PRO 3 7.593 2.285 -0.530
10 HB2 PRO 3 1HB PRO 3 10.300 1.827 -0.547
11 HB3 PRO 3 2HB PRO 3 9.247 1.548 0.881
12 HG2 PRO 3 1HG PRO 3 10.326 -0.427 -1.129
13 HG3 PRO 3 2HG PRO 3 9.959 -0.652 0.614
14 HD2 PRO 3 1HD PRO 3 8.322 -1.540 -1.466
15 HD3 PRO 3 2HD PRO 3 7.742 -1.192 0.198
16 H ASN 4 H ASN 4 8.085 0.556 -3.268
17 HA ASN 4 HA ASN 4 9.348 2.787 -4.685
18 HB2 ASN 4 1HB ASN 4 9.088 -0.138 -5.185
19 HB3 ASN 4 2HB ASN 4 9.186 0.922 -6.589
20 HD21 ASN 4 2HD2 ASN 4 10.819 -0.109 -3.667
21 HD22 ASN 4 1HD2 ASN 4 12.407 0.355 -4.165
22 H GLY 5 H GLY 5 6.324 1.908 -3.874
23 HA2 GLY 5 1HA GLY 5 4.355 2.931 -4.623
24 HA3 GLY 5 2HA GLY 5 5.184 3.392 -6.102
25 H GLN 6 H GLN 6 5.321 0.116 -4.948
26 HA GLN 6 HA GLN 6 4.322 -0.927 -7.377
27 HB2 GLN 6 1HB GLN 6 4.690 -2.275 -4.697
28 HB3 GLN 6 2HB GLN 6 4.381 -3.111 -6.212
29 HG2 GLN 6 1HG GLN 6 6.613 -3.300 -6.257
30 HG3 GLN 6 2HG GLN 6 6.535 -1.665 -6.911
31 HE21 GLN 6 2HE2 GLN 6 8.153 -3.494 -4.816
32 HE22 GLN 6 1HE2 GLN 6 8.617 -2.311 -3.646
33 H CYS 7 H CYS 7 2.317 -1.390 -8.024
34 HA CYS 7 HA CYS 7 0.161 -1.312 -6.016
35 HB2 CYS 7 1HB CYS 7 -1.286 -0.494 -7.948
36 HB3 CYS 7 2HB CYS 7 -0.110 0.651 -7.310
37 H GLY 8 H GLY 8 -1.552 -2.763 -6.254
38 HA2 GLY 8 1HA GLY 8 -2.636 -4.387 -7.834
39 HA3 GLY 8 2HA GLY 8 -1.008 -4.978 -8.133
40 HA PRO 9 HA PRO 9 -3.318 -7.403 -5.293
41 HB2 PRO 9 1HB PRO 9 -1.981 -9.789 -6.325
42 HB3 PRO 9 2HB PRO 9 -3.738 -9.418 -6.308
43 HG2 PRO 9 1HG PRO 9 -2.187 -9.321 -8.591
44 HG3 PRO 9 2HG PRO 9 -3.654 -8.313 -8.351
45 HD2 PRO 9 1HD PRO 9 -0.751 -7.535 -8.214
46 HD3 PRO 9 2HD PRO 9 -2.186 -6.537 -8.626
47 H GLY 10 H GLY 10 -2.224 -6.433 -3.554
48 HA2 GLY 10 1HA GLY 10 -1.622 -7.807 -1.471
49 HA3 GLY 10 2HA GLY 10 -0.177 -8.203 -2.388
50 H TRP 11 H TRP 11 -0.631 -5.247 -3.429
51 HA TRP 11 HA TRP 11 0.833 -4.017 -1.186
52 HB2 TRP 11 1HB TRP 11 1.038 -3.190 -4.082
53 HB3 TRP 11 2HB TRP 11 2.089 -2.723 -2.748
54 HD1 TRP 11 HD1 TRP 11 1.460 -5.554 -5.217
55 HE1 TRP 11 HE1 TRP 11 3.429 -7.207 -5.109
56 HE3 TRP 11 HE3 TRP 11 3.893 -3.652 -1.143
57 HZ2 TRP 11 HZ2 TRP 11 5.711 -7.648 -3.508
58 HZ3 TRP 11 HZ3 TRP 11 5.962 -4.748 -0.387
59 HH2 TRP 11 HH2 TRP 11 6.851 -6.705 -1.546
60 H GLY 12 H GLY 12 -1.686 -3.607 -3.592
61 HA2 GLY 12 1HA GLY 12 -3.655 -2.336 -2.938
62 HA3 GLY 12 2HA GLY 12 -2.581 -1.211 -2.118
63 H GLY 13 H GLY 13 -3.824 0.387 -3.381
64 HA2 GLY 13 1HA GLY 13 -2.926 0.534 -6.187
65 HA3 GLY 13 2HA GLY 13 -4.366 1.316 -5.552
66 H CYS 14 H CYS 14 -3.409 3.202 -6.661
67 HA CYS 14 HA CYS 14 -1.287 4.469 -5.060
68 HB2 CYS 14 1HB CYS 14 -2.179 5.229 -7.846
69 HB3 CYS 14 2HB CYS 14 -0.765 5.826 -6.983
70 H ARG 15 H ARG 15 -1.469 6.799 -4.717
71 HA ARG 15 HA ARG 15 -4.085 8.002 -5.001
72 HB2 ARG 15 1HB ARG 15 -2.952 7.198 -2.335
73 HB3 ARG 15 2HB ARG 15 -4.051 8.563 -2.476
74 HG2 ARG 15 1HG ARG 15 -5.648 7.039 -2.143
75 HG3 ARG 15 2HG ARG 15 -5.402 6.642 -3.844
76 HD2 ARG 15 1HD ARG 15 -4.179 4.748 -3.364
77 HD3 ARG 15 2HD ARG 15 -3.691 5.341 -1.777
78 HE ARG 15 HE ARG 15 -5.990 3.782 -2.377
79 HH11 ARG 15 1HH1 ARG 15 -4.821 6.318 -0.299
80 HH12 ARG 15 2HH1 ARG 15 -5.932 5.961 0.981
81 HH21 ARG 15 1HH2 ARG 15 -7.459 3.301 -0.699
82 HH22 ARG 15 2HH2 ARG 15 -7.432 4.244 0.753
83 H GLY 16 H GLY 16 -3.947 10.198 -3.547
84 HA2 GLY 16 1HA GLY 16 -3.022 12.297 -3.478
85 HA3 GLY 16 2HA GLY 16 -1.494 11.474 -3.200
86 H GLY 17 H GLY 17 -3.609 11.436 -6.055
87 HA2 GLY 17 1HA GLY 17 -3.258 12.424 -8.139
88 HA3 GLY 17 2HA GLY 17 -1.731 13.064 -7.552
89 H LEU 18 H LEU 18 -1.491 10.009 -6.636
90 HA LEU 18 HA LEU 18 0.118 9.292 -8.933
91 HB2 LEU 18 1HB LEU 18 -0.388 7.768 -6.382
92 HB3 LEU 18 2HB LEU 18 0.849 7.408 -7.585
93 HG LEU 18 HG LEU 18 0.740 9.785 -5.733
94 HD11 LEU 18 1HD1 LEU 18 2.990 7.841 -5.955
95 HD12 LEU 18 2HD1 LEU 18 1.554 7.406 -5.028
96 HD13 LEU 18 3HD1 LEU 18 2.489 8.835 -4.587
97 HD21 LEU 18 3HD2 LEU 18 1.830 10.883 -7.345
98 HD22 LEU 18 1HD2 LEU 18 2.086 9.418 -8.293
99 HD23 LEU 18 2HD2 LEU 18 3.189 9.820 -6.976
100 H CYS 19 H CYS 19 -0.056 7.227 -10.006
101 HA CYS 19 HA CYS 19 -2.601 5.830 -9.784
102 HB2 CYS 19 1HB CYS 19 -1.690 7.281 -12.268
103 HB3 CYS 19 2HB CYS 19 -2.865 5.970 -12.317
104 H CYS 20 H CYS 20 -2.604 3.756 -10.763
105 HA CYS 20 HA CYS 20 -0.086 2.442 -10.675
106 HB2 CYS 20 1HB CYS 20 -2.449 1.507 -10.156
107 HB3 CYS 20 2HB CYS 20 -2.555 1.236 -11.892
108 H SER 21 H SER 21 1.403 2.510 -12.210
109 HA SER 21 HA SER 21 0.745 3.242 -14.918
110 HB2 SER 21 1HB SER 21 3.069 3.409 -15.288
111 HB3 SER 21 2HB SER 21 2.860 3.909 -13.610
112 HG SER 21 HG SER 21 4.139 2.342 -13.088
113 H GLN 22 H GLN 22 1.958 1.921 -16.696
114 HA GLN 22 HA GLN 22 0.708 -0.621 -16.816
115 HB2 GLN 22 1HB GLN 22 1.456 1.026 -18.720
116 HB3 GLN 22 2HB GLN 22 2.962 0.122 -18.637
117 HG2 GLN 22 1HG GLN 22 0.460 -1.443 -18.824
118 HG3 GLN 22 2HG GLN 22 0.964 -0.545 -20.255
119 HE21 GLN 22 2HE2 GLN 22 0.927 -3.486 -19.288
120 HE22 GLN 22 1HE2 GLN 22 2.475 -4.072 -19.782
121 H TYR 23 H TYR 23 3.550 0.390 -15.345
122 HA TYR 23 HA TYR 23 4.758 -2.285 -15.518
123 HB2 TYR 23 1HB TYR 23 5.943 0.377 -14.715
124 HB3 TYR 23 2HB TYR 23 6.798 -1.156 -14.586
125 HD1 TYR 23 HD1 TYR 23 5.271 1.220 -16.978
126 HD2 TYR 23 HD2 TYR 23 7.831 -2.141 -16.478
127 HE1 TYR 23 HE1 TYR 23 6.018 1.450 -19.310
128 HE2 TYR 23 HE2 TYR 23 8.586 -1.920 -18.808
129 HH TYR 23 HH TYR 23 8.726 -0.043 -20.528
130 H GLY 24 H GLY 24 2.546 -0.973 -13.704
131 HA2 GLY 24 1HA GLY 24 1.755 -1.518 -11.608
132 HA3 GLY 24 2HA GLY 24 3.145 -2.575 -11.414
133 H TYR 25 H TYR 25 3.916 0.630 -12.273
134 HA TYR 25 HA TYR 25 4.734 1.164 -9.497
135 HB2 TYR 25 1HB TYR 25 5.854 2.264 -12.083
136 HB3 TYR 25 2HB TYR 25 6.426 2.679 -10.471
137 HD1 TYR 25 HD2 TYR 25 6.478 0.069 -9.137
138 HD2 TYR 25 HD1 TYR 25 7.610 1.128 -13.099
139 HE1 TYR 25 HE2 TYR 25 8.035 -1.835 -9.195
140 HE2 TYR 25 HE1 TYR 25 9.169 -0.773 -13.169
141 HH TYR 25 HH TYR 25 10.276 -2.296 -11.842
142 H CYS 26 H CYS 26 3.949 2.880 -8.444
143 HA CYS 26 HA CYS 26 1.774 4.350 -9.503
144 HB2 CYS 26 1HB CYS 26 3.420 4.598 -6.995
145 HB3 CYS 26 2HB CYS 26 2.153 5.759 -7.377
146 H GLY 27 H GLY 27 1.656 6.311 -10.449
147 HA2 GLY 27 1HA GLY 27 3.845 8.191 -10.315
148 HA3 GLY 27 2HA GLY 27 3.652 7.439 -11.891
149 H SER 28 H SER 28 3.425 10.157 -11.623
150 HA SER 28 HA SER 28 0.539 10.696 -11.668
151 HB2 SER 28 1HB SER 28 1.587 13.153 -11.857
152 HB3 SER 28 2HB SER 28 1.367 12.342 -10.306
153 HG SER 28 HG SER 28 3.561 13.304 -11.062
154 H GLY 29 H GLY 29 -0.091 12.448 -13.311
155 HA2 GLY 29 1HA GLY 29 0.229 13.402 -15.482
156 HA3 GLY 29 2HA GLY 29 1.375 12.118 -15.839
157 HA PRO 30 HA PRO 30 -2.846 11.047 -17.396
158 HB2 PRO 30 1HB PRO 30 -2.696 11.755 -20.031
159 HB3 PRO 30 2HB PRO 30 -3.460 12.755 -18.812
160 HG2 PRO 30 1HG PRO 30 -0.837 13.115 -20.128
161 HG3 PRO 30 2HG PRO 30 -1.794 14.290 -19.248
162 HD2 PRO 30 1HD PRO 30 0.542 12.923 -18.299
163 HD3 PRO 30 2HD PRO 30 -0.482 14.010 -17.381
164 H LYS 31 H LYS 31 0.300 10.608 -18.363
165 HA LYS 31 HA LYS 31 -0.193 8.308 -20.021
166 HB2 LYS 31 1HB LYS 31 1.803 9.942 -20.135
167 HB3 LYS 31 2HB LYS 31 2.457 9.020 -18.788
168 HG2 LYS 31 1HG LYS 31 3.272 7.534 -20.205
169 HG3 LYS 31 2HG LYS 31 1.640 7.173 -20.771
170 HD2 LYS 31 1HD LYS 31 2.913 7.804 -22.678
171 HD3 LYS 31 2HD LYS 31 1.846 9.159 -22.302
172 HE2 LYS 31 1HE LYS 31 4.099 9.717 -20.827
173 HE3 LYS 31 2HE LYS 31 4.760 9.005 -22.298
174 HZ1 LYS 31 3HZ LYS 31 3.130 10.624 -23.454
175 HZ2 LYS 31 1HZ LYS 31 4.596 11.215 -22.851
176 HZ3 LYS 31 2HZ LYS 31 3.166 11.457 -21.982
177 H TYR 32 H TYR 32 -0.261 8.826 -16.736
178 HA TYR 32 HA TYR 32 0.369 6.000 -16.182
179 HB2 TYR 32 1HB TYR 32 0.806 8.461 -14.502
180 HB3 TYR 32 2HB TYR 32 0.751 6.854 -13.788
181 HD1 TYR 32 HD1 TYR 32 2.394 8.494 -16.727
182 HD2 TYR 32 HD2 TYR 32 2.800 5.893 -13.384
183 HE1 TYR 32 HE1 TYR 32 4.774 8.181 -17.266
184 HE2 TYR 32 HE2 TYR 32 5.180 5.574 -13.914
185 HH TYR 32 HH TYR 32 6.700 7.269 -16.639
186 H CYS 33 H CYS 33 -1.830 8.672 -15.682
187 HA CYS 33 HA CYS 33 -3.592 7.079 -14.002
188 HB2 CYS 33 1HB CYS 33 -3.509 9.943 -14.872
189 HB3 CYS 33 2HB CYS 33 -5.024 9.265 -14.286
190 H ALA 34 H ALA 34 -3.280 8.096 -17.303
191 HA ALA 34 HA ALA 34 -5.537 6.412 -18.032
192 HB1 ALA 34 1HB ALA 34 -5.452 9.367 -18.512
193 HB2 ALA 34 2HB ALA 34 -6.337 8.296 -19.598
194 HB3 ALA 34 3HB ALA 34 -6.772 8.376 -17.891
195 H HIS 35 H HIS 35 -3.594 5.220 -18.754
196 HA HIS 35 HA HIS 35 -2.115 4.515 -20.339
197 HB2 HIS 35 1HB HIS 35 -4.360 4.536 -21.562
198 HB3 HIS 35 2HB HIS 35 -3.816 6.034 -22.312
199 HD1 HIS 35 HD1 HIS 35 -1.723 2.931 -21.721
200 HD2 HIS 35 HD2 HIS 35 -3.318 5.155 -24.846
201 HE1 HIS 35 HE1 HIS 35 -0.754 1.936 -23.817
202 HE2 HIS 35 HE2 HIS 35 -1.667 3.351 -25.689
Start of MODEL 8
1 H1 SER 1 H SER 1 0.703 0.889 0.358
2 HA SER 1 HA SER 1 1.514 -0.827 -1.850
3 HB2 SER 1 1HB SER 1 0.738 1.028 -2.896
4 HB3 SER 1 2HB SER 1 0.986 2.048 -1.479
5 HG SER 1 HG SER 1 2.547 1.746 -3.661
6 H GLY 2 H GLY 2 3.562 -1.390 -2.320
7 HA2 GLY 2 1HA GLY 2 5.576 -1.355 -0.423
8 HA3 GLY 2 2HA GLY 2 5.843 -1.595 -2.143
9 HA PRO 3 HA PRO 3 7.475 2.333 -0.390
10 HB2 PRO 3 1HB PRO 3 10.185 1.897 -0.342
11 HB3 PRO 3 2HB PRO 3 9.099 1.601 1.057
12 HG2 PRO 3 1HG PRO 3 10.244 -0.352 -0.938
13 HG3 PRO 3 2HG PRO 3 9.836 -0.591 0.795
14 HD2 PRO 3 1HD PRO 3 8.257 -1.479 -1.332
15 HD3 PRO 3 2HD PRO 3 7.634 -1.146 0.320
16 H ASN 4 H ASN 4 8.048 0.626 -3.125
17 HA ASN 4 HA ASN 4 9.327 2.877 -4.497
18 HB2 ASN 4 1HB ASN 4 9.112 -0.046 -5.015
19 HB3 ASN 4 2HB ASN 4 9.221 1.017 -6.414
20 HD21 ASN 4 2HD2 ASN 4 10.812 0.025 -3.453
21 HD22 ASN 4 1HD2 ASN 4 12.404 0.502 -3.927
22 H GLY 5 H GLY 5 6.292 1.969 -3.765
23 HA2 GLY 5 1HA GLY 5 4.334 2.981 -4.557
24 HA3 GLY 5 2HA GLY 5 5.195 3.457 -6.013
25 H GLN 6 H GLN 6 5.281 0.177 -4.836
26 HA GLN 6 HA GLN 6 4.350 -0.855 -7.310
27 HB2 GLN 6 1HB GLN 6 4.704 -2.229 -4.641
28 HB3 GLN 6 2HB GLN 6 4.432 -3.049 -6.172
29 HG2 GLN 6 1HG GLN 6 6.667 -3.202 -6.185
30 HG3 GLN 6 2HG GLN 6 6.574 -1.559 -6.816
31 HE21 GLN 6 2HE2 GLN 6 8.185 -3.395 -4.719
32 HE22 GLN 6 1HE2 GLN 6 8.612 -2.222 -3.526
33 H CYS 7 H CYS 7 2.358 -1.337 -7.981
34 HA CYS 7 HA CYS 7 0.182 -1.308 -5.993
35 HB2 CYS 7 1HB CYS 7 -1.256 -0.490 -7.933
36 HB3 CYS 7 2HB CYS 7 -0.103 0.664 -7.269
37 H GLY 8 H GLY 8 -1.509 -2.779 -6.262
38 HA2 GLY 8 1HA GLY 8 -2.557 -4.401 -7.869
39 HA3 GLY 8 2HA GLY 8 -0.918 -4.967 -8.159
40 HA PRO 9 HA PRO 9 -3.221 -7.452 -5.366
41 HB2 PRO 9 1HB PRO 9 -1.844 -9.809 -6.410
42 HB3 PRO 9 2HB PRO 9 -3.606 -9.461 -6.406
43 HG2 PRO 9 1HG PRO 9 -2.036 -9.320 -8.673
44 HG3 PRO 9 2HG PRO 9 -3.518 -8.334 -8.436
45 HD2 PRO 9 1HD PRO 9 -0.627 -7.519 -8.264
46 HD3 PRO 9 2HD PRO 9 -2.071 -6.536 -8.679
47 H GLY 10 H GLY 10 -2.157 -6.486 -3.607
48 HA2 GLY 10 1HA GLY 10 -1.555 -7.874 -1.533
49 HA3 GLY 10 2HA GLY 10 -0.096 -8.240 -2.441
50 H TRP 11 H TRP 11 -0.584 -5.279 -3.453
51 HA TRP 11 HA TRP 11 0.842 -4.053 -1.184
52 HB2 TRP 11 1HB TRP 11 1.065 -3.193 -4.069
53 HB3 TRP 11 2HB TRP 11 2.096 -2.726 -2.719
54 HD1 TRP 11 HD1 TRP 11 1.530 -5.538 -5.224
55 HE1 TRP 11 HE1 TRP 11 3.521 -7.166 -5.113
56 HE3 TRP 11 HE3 TRP 11 3.896 -3.646 -1.106
57 HZ2 TRP 11 HZ2 TRP 11 5.794 -7.592 -3.493
58 HZ3 TRP 11 HZ3 TRP 11 5.973 -4.722 -0.341
59 HH2 TRP 11 HH2 TRP 11 6.900 -6.654 -1.511
60 H GLY 12 H GLY 12 -1.656 -3.651 -3.612
61 HA2 GLY 12 1HA GLY 12 -3.649 -2.414 -2.961
62 HA3 GLY 12 2HA GLY 12 -2.598 -1.282 -2.124
63 H GLY 13 H GLY 13 -3.863 0.303 -3.389
64 HA2 GLY 13 1HA GLY 13 -2.974 0.476 -6.193
65 HA3 GLY 13 2HA GLY 13 -4.395 1.271 -5.532
66 H CYS 14 H CYS 14 -3.431 3.154 -6.639
67 HA CYS 14 HA CYS 14 -1.255 4.374 -5.078
68 HB2 CYS 14 1HB CYS 14 -2.237 5.189 -7.819
69 HB3 CYS 14 2HB CYS 14 -0.795 5.771 -6.993
70 H ARG 15 H ARG 15 -1.397 6.744 -4.778
71 HA ARG 15 HA ARG 15 -4.027 7.940 -4.894
72 HB2 ARG 15 1HB ARG 15 -2.722 7.183 -2.289
73 HB3 ARG 15 2HB ARG 15 -3.880 8.502 -2.390
74 HG2 ARG 15 1HG ARG 15 -5.520 6.887 -3.354
75 HG3 ARG 15 2HG ARG 15 -4.363 5.600 -3.010
76 HD2 ARG 15 1HD ARG 15 -4.381 6.481 -0.608
77 HD3 ARG 15 2HD ARG 15 -5.826 7.374 -1.080
78 HE ARG 15 HE ARG 15 -7.010 5.416 -1.032
79 HH11 ARG 15 1HH1 ARG 15 -3.605 4.692 -1.052
80 HH12 ARG 15 2HH1 ARG 15 -3.831 2.998 -0.769
81 HH21 ARG 15 1HH2 ARG 15 -7.320 3.187 -0.658
82 HH22 ARG 15 2HH2 ARG 15 -5.944 2.143 -0.546
83 H GLY 16 H GLY 16 -3.796 10.137 -3.445
84 HA2 GLY 16 1HA GLY 16 -2.866 12.235 -3.432
85 HA3 GLY 16 2HA GLY 16 -1.323 11.412 -3.265
86 H GLY 17 H GLY 17 -3.631 11.371 -5.965
87 HA2 GLY 17 1HA GLY 17 -3.435 12.309 -8.083
88 HA3 GLY 17 2HA GLY 17 -1.918 13.044 -7.587
89 H LEU 18 H LEU 18 -1.580 9.947 -6.688
90 HA LEU 18 HA LEU 18 0.005 9.320 -9.037
91 HB2 LEU 18 1HB LEU 18 -0.342 7.749 -6.490
92 HB3 LEU 18 2HB LEU 18 0.883 7.485 -7.729
93 HG LEU 18 HG LEU 18 0.679 9.898 -5.928
94 HD11 LEU 18 1HD1 LEU 18 2.207 7.356 -5.804
95 HD12 LEU 18 2HD1 LEU 18 1.527 8.336 -4.505
96 HD13 LEU 18 3HD1 LEU 18 3.019 8.839 -5.300
97 HD21 LEU 18 3HD2 LEU 18 3.157 9.965 -6.998
98 HD22 LEU 18 1HD2 LEU 18 1.779 10.858 -7.642
99 HD23 LEU 18 2HD2 LEU 18 2.238 9.311 -8.355
100 H CYS 19 H CYS 19 -0.138 7.282 -10.140
101 HA CYS 19 HA CYS 19 -2.633 5.798 -9.831
102 HB2 CYS 19 1HB CYS 19 -1.771 7.162 -12.387
103 HB3 CYS 19 2HB CYS 19 -2.997 5.901 -12.323
104 H CYS 20 H CYS 20 -2.606 3.715 -10.809
105 HA CYS 20 HA CYS 20 -0.065 2.448 -10.709
106 HB2 CYS 20 1HB CYS 20 -2.426 1.482 -10.201
107 HB3 CYS 20 2HB CYS 20 -2.495 1.177 -11.933
108 H SER 21 H SER 21 1.426 2.496 -12.244
109 HA SER 21 HA SER 21 0.771 3.227 -14.952
110 HB2 SER 21 1HB SER 21 3.097 3.390 -15.320
111 HB3 SER 21 2HB SER 21 2.883 3.897 -13.644
112 HG SER 21 HG SER 21 4.156 2.329 -13.110
113 H GLN 22 H GLN 22 1.992 1.903 -16.727
114 HA GLN 22 HA GLN 22 0.741 -0.638 -16.849
115 HB2 GLN 22 1HB GLN 22 1.346 0.909 -18.790
116 HB3 GLN 22 2HB GLN 22 2.983 0.283 -18.638
117 HG2 GLN 22 1HG GLN 22 1.502 -2.008 -18.728
118 HG3 GLN 22 2HG GLN 22 0.603 -0.937 -19.802
119 HE21 GLN 22 2HE2 GLN 22 1.122 -1.458 -21.803
120 HE22 GLN 22 1HE2 GLN 22 2.723 -1.693 -22.408
121 H TYR 23 H TYR 23 3.577 0.373 -15.367
122 HA TYR 23 HA TYR 23 4.788 -2.301 -15.539
123 HB2 TYR 23 1HB TYR 23 5.955 0.374 -14.757
124 HB3 TYR 23 2HB TYR 23 6.814 -1.150 -14.565
125 HD1 TYR 23 HD2 TYR 23 5.542 1.302 -16.975
126 HD2 TYR 23 HD1 TYR 23 7.686 -2.340 -16.485
127 HE1 TYR 23 HE2 TYR 23 6.340 1.467 -19.295
128 HE2 TYR 23 HE1 TYR 23 8.492 -2.185 -18.804
129 HH TYR 23 HH TYR 23 7.477 0.475 -20.926
130 H GLY 24 H GLY 24 2.572 -0.976 -13.729
131 HA2 GLY 24 1HA GLY 24 1.768 -1.537 -11.640
132 HA3 GLY 24 2HA GLY 24 3.163 -2.587 -11.438
133 H TYR 25 H TYR 25 3.925 0.620 -12.293
134 HA TYR 25 HA TYR 25 4.719 1.159 -9.511
135 HB2 TYR 25 1HB TYR 25 5.862 2.258 -12.088
136 HB3 TYR 25 2HB TYR 25 6.418 2.674 -10.471
137 HD1 TYR 25 HD2 TYR 25 6.580 0.160 -9.081
138 HD2 TYR 25 HD1 TYR 25 7.509 1.027 -13.142
139 HE1 TYR 25 HE2 TYR 25 8.140 -1.741 -9.124
140 HE2 TYR 25 HE1 TYR 25 9.070 -0.872 -13.197
141 HH TYR 25 HH TYR 25 9.158 -3.226 -11.640
142 H CYS 26 H CYS 26 3.920 2.875 -8.468
143 HA CYS 26 HA CYS 26 1.763 4.350 -9.573
144 HB2 CYS 26 1HB CYS 26 3.341 4.607 -7.017
145 HB3 CYS 26 2HB CYS 26 2.038 5.718 -7.425
146 H GLY 27 H GLY 27 1.692 6.289 -10.549
147 HA2 GLY 27 1HA GLY 27 3.854 8.190 -10.300
148 HA3 GLY 27 2HA GLY 27 3.747 7.437 -11.884
149 H SER 28 H SER 28 3.491 10.139 -11.678
150 HA SER 28 HA SER 28 0.609 10.678 -11.814
151 HB2 SER 28 1HB SER 28 1.667 13.127 -12.048
152 HB3 SER 28 2HB SER 28 1.410 12.360 -10.481
153 HG SER 28 HG SER 28 3.474 12.621 -10.229
154 H GLY 29 H GLY 29 0.052 12.427 -13.514
155 HA2 GLY 29 1HA GLY 29 0.455 13.312 -15.704
156 HA3 GLY 29 2HA GLY 29 1.548 11.970 -16.005
157 HA PRO 30 HA PRO 30 -2.684 11.036 -17.611
158 HB2 PRO 30 1HB PRO 30 -2.441 11.630 -20.267
159 HB3 PRO 30 2HB PRO 30 -3.180 12.715 -19.106
160 HG2 PRO 30 1HG PRO 30 -0.514 12.892 -20.372
161 HG3 PRO 30 2HG PRO 30 -1.430 14.147 -19.561
162 HD2 PRO 30 1HD PRO 30 0.813 12.705 -18.504
163 HD3 PRO 30 2HD PRO 30 -0.175 13.877 -17.654
164 H LYS 31 H LYS 31 0.456 10.400 -18.473
165 HA LYS 31 HA LYS 31 -0.131 8.049 -20.037
166 HB2 LYS 31 1HB LYS 31 1.945 9.626 -20.170
167 HB3 LYS 31 2HB LYS 31 2.557 8.643 -18.846
168 HG2 LYS 31 1HG LYS 31 1.602 6.881 -20.843
169 HG3 LYS 31 2HG LYS 31 2.598 8.105 -21.634
170 HD2 LYS 31 1HD LYS 31 3.455 6.536 -19.205
171 HD3 LYS 31 2HD LYS 31 3.858 6.090 -20.865
172 HE2 LYS 31 1HE LYS 31 4.768 8.521 -21.014
173 HE3 LYS 31 2HE LYS 31 4.778 8.437 -19.254
174 HZ1 LYS 31 3HZ LYS 31 6.271 6.724 -21.155
175 HZ2 LYS 31 1HZ LYS 31 6.110 6.347 -19.514
176 HZ3 LYS 31 2HZ LYS 31 6.902 7.766 -19.982
177 H TYR 32 H TYR 32 -0.183 8.737 -16.785
178 HA TYR 32 HA TYR 32 0.361 5.927 -16.079
179 HB2 TYR 32 1HB TYR 32 0.781 8.453 -14.483
180 HB3 TYR 32 2HB TYR 32 0.758 6.857 -13.740
181 HD1 TYR 32 HD2 TYR 32 2.390 8.549 -16.654
182 HD2 TYR 32 HD1 TYR 32 2.806 5.874 -13.371
183 HE1 TYR 32 HE2 TYR 32 4.774 8.273 -17.188
184 HE2 TYR 32 HE1 TYR 32 5.192 5.592 -13.896
185 HH TYR 32 HH TYR 32 6.644 7.137 -16.735
186 H CYS 33 H CYS 33 -1.786 8.669 -15.746
187 HA CYS 33 HA CYS 33 -3.631 7.134 -14.082
188 HB2 CYS 33 1HB CYS 33 -3.425 10.019 -14.880
189 HB3 CYS 33 2HB CYS 33 -4.951 9.380 -14.276
190 H ALA 34 H ALA 34 -3.258 8.334 -17.332
191 HA ALA 34 HA ALA 34 -4.380 7.863 -19.259
192 HB1 ALA 34 1HB ALA 34 -4.604 5.575 -17.857
193 HB2 ALA 34 2HB ALA 34 -6.307 5.998 -18.036
194 HB3 ALA 34 3HB ALA 34 -5.289 5.810 -19.465
195 H HIS 35 H HIS 35 -5.165 10.072 -17.776
196 HA HIS 35 HA HIS 35 -7.882 10.394 -18.726
197 HB2 HIS 35 1HB HIS 35 -8.117 9.523 -16.393
198 HB3 HIS 35 2HB HIS 35 -7.240 10.940 -15.822
199 HD1 HIS 35 HD1 HIS 35 -10.577 9.799 -16.910
200 HD2 HIS 35 HD2 HIS 35 -8.674 13.400 -16.090
201 HE1 HIS 35 HE1 HIS 35 -12.418 11.498 -16.695
202 HE2 HIS 35 HE2 HIS 35 -11.237 13.685 -16.284
Start of MODEL 9
1 H1 SER 1 H SER 1 0.908 0.103 0.275
2 HA SER 1 HA SER 1 1.386 -0.939 -2.043
3 HB2 SER 1 1HB SER 1 2.528 1.234 -3.266
4 HB3 SER 1 2HB SER 1 0.933 0.586 -3.649
5 HG SER 1 HG SER 1 1.230 2.453 -1.568
6 H GLY 2 H GLY 2 3.566 -1.405 -2.530
7 HA2 GLY 2 1HA GLY 2 5.341 -1.336 -0.387
8 HA3 GLY 2 2HA GLY 2 5.796 -1.665 -2.053
9 HA PRO 3 HA PRO 3 7.410 2.258 -0.337
10 HB2 PRO 3 1HB PRO 3 10.107 1.761 -0.227
11 HB3 PRO 3 2HB PRO 3 8.983 1.490 1.147
12 HG2 PRO 3 1HG PRO 3 10.130 -0.489 -0.822
13 HG3 PRO 3 2HG PRO 3 9.676 -0.718 0.901
14 HD2 PRO 3 1HD PRO 3 8.128 -1.571 -1.262
15 HD3 PRO 3 2HD PRO 3 7.474 -1.224 0.375
16 H ASN 4 H ASN 4 8.009 0.537 -3.059
17 HA ASN 4 HA ASN 4 9.368 2.759 -4.400
18 HB2 ASN 4 1HB ASN 4 8.810 -0.055 -5.366
19 HB3 ASN 4 2HB ASN 4 9.732 1.163 -6.243
20 HD21 ASN 4 2HD2 ASN 4 9.673 -0.918 -3.439
21 HD22 ASN 4 1HD2 ASN 4 11.373 -0.872 -3.129
22 H GLY 5 H GLY 5 6.297 1.911 -3.743
23 HA2 GLY 5 1HA GLY 5 4.379 2.963 -4.579
24 HA3 GLY 5 2HA GLY 5 5.284 3.427 -6.011
25 H GLN 6 H GLN 6 5.252 0.144 -4.826
26 HA GLN 6 HA GLN 6 4.341 -0.847 -7.337
27 HB2 GLN 6 1HB GLN 6 4.637 -2.299 -4.702
28 HB3 GLN 6 2HB GLN 6 4.459 -3.053 -6.280
29 HG2 GLN 6 1HG GLN 6 6.690 -3.165 -6.212
30 HG3 GLN 6 2HG GLN 6 6.605 -1.481 -6.727
31 HE21 GLN 6 2HE2 GLN 6 8.078 -3.481 -4.645
32 HE22 GLN 6 1HE2 GLN 6 8.449 -2.381 -3.366
33 H CYS 7 H CYS 7 2.345 -1.314 -8.010
34 HA CYS 7 HA CYS 7 0.172 -1.284 -6.018
35 HB2 CYS 7 1HB CYS 7 -1.264 -0.453 -7.950
36 HB3 CYS 7 2HB CYS 7 -0.098 0.692 -7.295
37 H GLY 8 H GLY 8 -1.524 -2.747 -6.283
38 HA2 GLY 8 1HA GLY 8 -2.586 -4.363 -7.884
39 HA3 GLY 8 2HA GLY 8 -0.952 -4.933 -8.189
40 HA PRO 9 HA PRO 9 -3.235 -7.426 -5.391
41 HB2 PRO 9 1HB PRO 9 -1.859 -9.779 -6.447
42 HB3 PRO 9 2HB PRO 9 -3.621 -9.434 -6.435
43 HG2 PRO 9 1HG PRO 9 -2.061 -9.283 -8.708
44 HG3 PRO 9 2HG PRO 9 -3.544 -8.300 -8.462
45 HD2 PRO 9 1HD PRO 9 -0.653 -7.482 -8.299
46 HD3 PRO 9 2HD PRO 9 -2.100 -6.499 -8.706
47 H GLY 10 H GLY 10 -2.165 -6.464 -3.633
48 HA2 GLY 10 1HA GLY 10 -1.553 -7.858 -1.566
49 HA3 GLY 10 2HA GLY 10 -0.097 -8.218 -2.481
50 H TRP 11 H TRP 11 -0.593 -5.255 -3.482
51 HA TRP 11 HA TRP 11 0.834 -4.032 -1.211
52 HB2 TRP 11 1HB TRP 11 1.054 -3.168 -4.096
53 HB3 TRP 11 2HB TRP 11 2.083 -2.699 -2.746
54 HD1 TRP 11 HD1 TRP 11 1.525 -5.513 -5.250
55 HE1 TRP 11 HE1 TRP 11 3.521 -7.134 -5.140
56 HE3 TRP 11 HE3 TRP 11 3.888 -3.612 -1.134
57 HZ2 TRP 11 HZ2 TRP 11 5.796 -7.552 -3.522
58 HZ3 TRP 11 HZ3 TRP 11 5.968 -4.681 -0.370
59 HH2 TRP 11 HH2 TRP 11 6.901 -6.610 -1.540
60 H GLY 12 H GLY 12 -1.661 -3.623 -3.644
61 HA2 GLY 12 1HA GLY 12 -3.658 -2.392 -2.997
62 HA3 GLY 12 2HA GLY 12 -2.613 -1.266 -2.143
63 H GLY 13 H GLY 13 -3.847 0.343 -3.390
64 HA2 GLY 13 1HA GLY 13 -2.961 0.533 -6.194
65 HA3 GLY 13 2HA GLY 13 -4.374 1.336 -5.525
66 H CYS 14 H CYS 14 -3.382 3.215 -6.624
67 HA CYS 14 HA CYS 14 -1.193 4.399 -5.055
68 HB2 CYS 14 1HB CYS 14 -2.188 5.229 -7.788
69 HB3 CYS 14 2HB CYS 14 -0.757 5.835 -6.961
70 H ARG 15 H ARG 15 -1.311 6.751 -4.692
71 HA ARG 15 HA ARG 15 -3.935 7.973 -4.779
72 HB2 ARG 15 1HB ARG 15 -2.579 7.259 -2.180
73 HB3 ARG 15 2HB ARG 15 -3.825 8.494 -2.297
74 HG2 ARG 15 1HG ARG 15 -4.152 5.586 -3.010
75 HG3 ARG 15 2HG ARG 15 -4.744 6.372 -1.544
76 HD2 ARG 15 1HD ARG 15 -5.661 7.881 -3.759
77 HD3 ARG 15 2HD ARG 15 -5.986 6.182 -4.102
78 HE ARG 15 HE ARG 15 -7.252 7.822 -2.113
79 HH11 ARG 15 1HH1 ARG 15 -6.432 4.566 -3.034
80 HH12 ARG 15 2HH1 ARG 15 -7.707 3.844 -2.110
81 HH21 ARG 15 1HH2 ARG 15 -8.935 6.883 -0.891
82 HH22 ARG 15 2HH2 ARG 15 -9.130 5.163 -0.892
83 H GLY 16 H GLY 16 -3.676 10.157 -3.323
84 HA2 GLY 16 1HA GLY 16 -2.732 12.248 -3.300
85 HA3 GLY 16 2HA GLY 16 -1.191 11.415 -3.162
86 H GLY 17 H GLY 17 -3.520 11.369 -5.839
87 HA2 GLY 17 1HA GLY 17 -3.353 12.344 -7.947
88 HA3 GLY 17 2HA GLY 17 -1.821 13.059 -7.467
89 H LEU 18 H LEU 18 -1.446 9.981 -6.585
90 HA LEU 18 HA LEU 18 0.099 9.353 -8.949
91 HB2 LEU 18 1HB LEU 18 -0.290 7.762 -6.418
92 HB3 LEU 18 2HB LEU 18 0.913 7.454 -7.669
93 HG LEU 18 HG LEU 18 0.818 9.837 -5.821
94 HD11 LEU 18 1HD1 LEU 18 1.645 7.377 -5.172
95 HD12 LEU 18 2HD1 LEU 18 2.405 8.844 -4.556
96 HD13 LEU 18 3HD1 LEU 18 3.119 7.989 -5.922
97 HD21 LEU 18 3HD2 LEU 18 3.288 9.658 -7.139
98 HD22 LEU 18 1HD2 LEU 18 2.053 10.903 -7.325
99 HD23 LEU 18 2HD2 LEU 18 2.053 9.496 -8.388
100 H CYS 19 H CYS 19 -0.059 7.304 -10.059
101 HA CYS 19 HA CYS 19 -2.593 5.879 -9.808
102 HB2 CYS 19 1HB CYS 19 -1.681 7.304 -12.308
103 HB3 CYS 19 2HB CYS 19 -2.878 6.013 -12.330
104 H CYS 20 H CYS 20 -2.589 3.799 -10.766
105 HA CYS 20 HA CYS 20 -0.066 2.495 -10.685
106 HB2 CYS 20 1HB CYS 20 -2.418 1.553 -10.141
107 HB3 CYS 20 2HB CYS 20 -2.543 1.274 -11.875
108 H SER 21 H SER 21 1.412 2.544 -12.232
109 HA SER 21 HA SER 21 0.736 3.263 -14.939
110 HB2 SER 21 1HB SER 21 3.058 3.422 -15.327
111 HB3 SER 21 2HB SER 21 2.861 3.933 -13.650
112 HG SER 21 HG SER 21 4.138 2.365 -13.125
113 H GLN 22 H GLN 22 1.933 1.929 -16.719
114 HA GLN 22 HA GLN 22 0.678 -0.612 -16.814
115 HB2 GLN 22 1HB GLN 22 1.273 0.933 -18.767
116 HB3 GLN 22 2HB GLN 22 2.903 0.286 -18.635
117 HG2 GLN 22 1HG GLN 22 1.168 -1.924 -18.678
118 HG3 GLN 22 2HG GLN 22 0.616 -0.821 -19.937
119 HE21 GLN 22 2HE2 GLN 22 2.263 -3.463 -19.678
120 HE22 GLN 22 1HE2 GLN 22 3.538 -3.216 -20.817
121 H TYR 23 H TYR 23 3.532 0.404 -15.369
122 HA TYR 23 HA TYR 23 4.738 -2.272 -15.541
123 HB2 TYR 23 1HB TYR 23 5.901 0.422 -14.842
124 HB3 TYR 23 2HB TYR 23 6.763 -1.084 -14.550
125 HD1 TYR 23 HD1 TYR 23 6.658 -2.704 -16.759
126 HD2 TYR 23 HD2 TYR 23 6.534 1.549 -16.742
127 HE1 TYR 23 HE1 TYR 23 7.499 -2.676 -19.070
128 HE2 TYR 23 HE2 TYR 23 7.373 1.589 -19.053
129 HH TYR 23 HH TYR 23 7.881 0.367 -20.849
130 H GLY 24 H GLY 24 2.543 -0.940 -13.714
131 HA2 GLY 24 1HA GLY 24 1.763 -1.486 -11.612
132 HA3 GLY 24 2HA GLY 24 3.158 -2.539 -11.422
133 H TYR 25 H TYR 25 3.923 0.659 -12.301
134 HA TYR 25 HA TYR 25 4.752 1.210 -9.532
135 HB2 TYR 25 1HB TYR 25 5.860 2.299 -12.128
136 HB3 TYR 25 2HB TYR 25 6.439 2.720 -10.521
137 HD1 TYR 25 HD2 TYR 25 6.607 0.202 -9.129
138 HD2 TYR 25 HD1 TYR 25 7.502 1.072 -13.197
139 HE1 TYR 25 HE2 TYR 25 8.163 -1.702 -9.188
140 HE2 TYR 25 HE1 TYR 25 9.060 -0.829 -13.268
141 HH TYR 25 HH TYR 25 10.206 -2.368 -10.548
142 H CYS 26 H CYS 26 3.967 2.930 -8.485
143 HA CYS 26 HA CYS 26 1.791 4.397 -9.552
144 HB2 CYS 26 1HB CYS 26 3.430 4.664 -7.038
145 HB3 CYS 26 2HB CYS 26 2.139 5.797 -7.425
146 H GLY 27 H GLY 27 1.681 6.353 -10.505
147 HA2 GLY 27 1HA GLY 27 3.857 8.243 -10.349
148 HA3 GLY 27 2HA GLY 27 3.698 7.481 -11.925
149 H SER 28 H SER 28 3.450 10.195 -11.693
150 HA SER 28 HA SER 28 0.564 10.725 -11.769
151 HB2 SER 28 1HB SER 28 1.609 13.180 -12.002
152 HB3 SER 28 2HB SER 28 1.384 12.399 -10.437
153 HG SER 28 HG SER 28 3.500 12.048 -10.283
154 H GLY 29 H GLY 29 -0.067 12.438 -13.450
155 HA2 GLY 29 1HA GLY 29 0.279 13.355 -15.638
156 HA3 GLY 29 2HA GLY 29 1.405 12.047 -15.967
157 HA PRO 30 HA PRO 30 -2.826 11.006 -17.511
158 HB2 PRO 30 1HB PRO 30 -2.649 11.637 -20.164
159 HB3 PRO 30 2HB PRO 30 -3.399 12.686 -18.978
160 HG2 PRO 30 1HG PRO 30 -0.763 12.958 -20.288
161 HG3 PRO 30 2HG PRO 30 -1.702 14.176 -19.447
162 HD2 PRO 30 1HD PRO 30 0.602 12.791 -18.447
163 HD3 PRO 30 2HD PRO 30 -0.405 13.923 -17.566
164 H LYS 31 H LYS 31 0.315 10.487 -18.466
165 HA LYS 31 HA LYS 31 -0.223 8.142 -20.046
166 HB2 LYS 31 1HB LYS 31 1.792 9.739 -20.239
167 HB3 LYS 31 2HB LYS 31 2.445 8.867 -18.859
168 HG2 LYS 31 1HG LYS 31 3.286 7.385 -20.269
169 HG3 LYS 31 2HG LYS 31 1.639 6.902 -20.680
170 HD2 LYS 31 1HD LYS 31 1.735 8.960 -22.280
171 HD3 LYS 31 2HD LYS 31 3.482 8.776 -22.107
172 HE2 LYS 31 1HE LYS 31 2.199 6.235 -22.602
173 HE3 LYS 31 2HE LYS 31 1.807 7.403 -23.862
174 HZ1 LYS 31 3HZ LYS 31 4.483 6.458 -23.022
175 HZ2 LYS 31 1HZ LYS 31 4.274 7.849 -23.961
176 HZ3 LYS 31 2HZ LYS 31 3.767 6.347 -24.551
177 H TYR 32 H TYR 32 -0.271 8.767 -16.784
178 HA TYR 32 HA TYR 32 0.344 5.957 -16.136
179 HB2 TYR 32 1HB TYR 32 0.764 8.466 -14.518
180 HB3 TYR 32 2HB TYR 32 0.743 6.869 -13.779
181 HD1 TYR 32 HD1 TYR 32 2.347 8.529 -16.727
182 HD2 TYR 32 HD2 TYR 32 2.801 5.915 -13.402
183 HE1 TYR 32 HE1 TYR 32 4.728 8.251 -17.279
184 HE2 TYR 32 HE2 TYR 32 5.184 5.631 -13.943
185 HH TYR 32 HH TYR 32 6.852 7.627 -16.004
186 H CYS 33 H CYS 33 -1.849 8.650 -15.732
187 HA CYS 33 HA CYS 33 -3.625 7.096 -14.023
188 HB2 CYS 33 1HB CYS 33 -3.543 9.955 -14.934
189 HB3 CYS 33 2HB CYS 33 -5.031 9.282 -14.276
190 H ALA 34 H ALA 34 -3.521 8.471 -17.272
191 HA ALA 34 HA ALA 34 -6.143 7.374 -17.908
192 HB1 ALA 34 1HB ALA 34 -6.179 8.758 -19.718
193 HB2 ALA 34 2HB ALA 34 -5.060 9.658 -18.692
194 HB3 ALA 34 3HB ALA 34 -4.440 8.635 -19.988
195 H HIS 35 H HIS 35 -4.570 5.307 -17.274
196 HA HIS 35 HA HIS 35 -3.809 3.290 -17.999
197 HB2 HIS 35 1HB HIS 35 -5.945 3.530 -19.379
198 HB3 HIS 35 2HB HIS 35 -4.903 4.002 -20.718
199 HD1 HIS 35 HD1 HIS 35 -4.636 1.144 -18.210
200 HD2 HIS 35 HD2 HIS 35 -4.683 1.834 -22.307
201 HE1 HIS 35 HE1 HIS 35 -4.287 -1.107 -19.275
202 HE2 HIS 35 HE2 HIS 35 -4.234 -0.652 -21.751
Start of MODEL 10
1 H1 SER 1 H SER 1 1.806 0.763 0.264
2 HA SER 1 HA SER 1 1.871 -0.900 -2.132
3 HB2 SER 1 1HB SER 1 2.979 1.566 -2.945
4 HB3 SER 1 2HB SER 1 1.504 0.803 -3.540
5 HG SER 1 HG SER 1 0.486 1.832 -1.633
6 H GLY 2 H GLY 2 3.912 -1.537 -2.739
7 HA2 GLY 2 1HA GLY 2 5.912 -1.675 -0.823
8 HA3 GLY 2 2HA GLY 2 6.165 -1.932 -2.543
9 HA PRO 3 HA PRO 3 8.124 1.834 -0.786
10 HB2 PRO 3 1HB PRO 3 10.790 1.183 -0.808
11 HB3 PRO 3 2HB PRO 3 9.715 0.949 0.612
12 HG2 PRO 3 1HG PRO 3 10.657 -1.053 -1.440
13 HG3 PRO 3 2HG PRO 3 10.268 -1.290 0.297
14 HD2 PRO 3 1HD PRO 3 8.579 -2.012 -1.806
15 HD3 PRO 3 2HD PRO 3 8.019 -1.660 -0.136
16 H ASN 4 H ASN 4 8.500 0.135 -3.561
17 HA ASN 4 HA ASN 4 9.915 2.308 -4.925
18 HB2 ASN 4 1HB ASN 4 9.490 -0.586 -5.476
19 HB3 ASN 4 2HB ASN 4 9.643 0.487 -6.865
20 HD21 ASN 4 2HD2 ASN 4 11.223 -0.655 -3.953
21 HD22 ASN 4 1HD2 ASN 4 12.833 -0.279 -4.453
22 H GLY 5 H GLY 5 6.842 1.623 -4.140
23 HA2 GLY 5 1HA GLY 5 4.992 2.880 -4.902
24 HA3 GLY 5 2HA GLY 5 5.819 3.125 -6.433
25 H GLN 6 H GLN 6 5.727 -0.060 -5.099
26 HA GLN 6 HA GLN 6 4.473 -1.139 -7.387
27 HB2 GLN 6 1HB GLN 6 4.980 -2.329 -4.657
28 HB3 GLN 6 2HB GLN 6 4.373 -3.246 -6.029
29 HG2 GLN 6 1HG GLN 6 6.545 -3.714 -6.330
30 HG3 GLN 6 2HG GLN 6 6.555 -2.149 -7.142
31 HE21 GLN 6 2HE2 GLN 6 8.423 -3.868 -5.321
32 HE22 GLN 6 1HE2 GLN 6 9.100 -2.683 -4.263
33 H CYS 7 H CYS 7 2.397 -1.493 -7.871
34 HA CYS 7 HA CYS 7 0.394 -1.254 -5.730
35 HB2 CYS 7 1HB CYS 7 -1.080 -0.127 -7.485
36 HB3 CYS 7 2HB CYS 7 0.234 0.838 -6.819
37 H GLY 8 H GLY 8 -1.482 -2.491 -5.979
38 HA2 GLY 8 1HA GLY 8 -2.819 -3.849 -7.616
39 HA3 GLY 8 2HA GLY 8 -1.282 -4.572 -8.068
40 HA PRO 9 HA PRO 9 -3.666 -7.010 -5.309
41 HB2 PRO 9 1HB PRO 9 -2.618 -9.409 -6.609
42 HB3 PRO 9 2HB PRO 9 -4.328 -8.881 -6.463
43 HG2 PRO 9 1HG PRO 9 -2.885 -8.727 -8.813
44 HG3 PRO 9 2HG PRO 9 -4.235 -7.612 -8.408
45 HD2 PRO 9 1HD PRO 9 -1.267 -7.121 -8.369
46 HD3 PRO 9 2HD PRO 9 -2.617 -5.962 -8.617
47 H GLY 10 H GLY 10 -2.408 -6.305 -3.556
48 HA2 GLY 10 1HA GLY 10 -1.840 -7.916 -1.637
49 HA3 GLY 10 2HA GLY 10 -0.479 -8.344 -2.662
50 H TRP 11 H TRP 11 -0.713 -5.278 -3.411
51 HA TRP 11 HA TRP 11 0.939 -4.384 -1.139
52 HB2 TRP 11 1HB TRP 11 1.124 -3.337 -3.965
53 HB3 TRP 11 2HB TRP 11 2.254 -3.073 -2.640
54 HD1 TRP 11 HD1 TRP 11 1.298 -5.627 -5.298
55 HE1 TRP 11 HE1 TRP 11 3.116 -7.446 -5.398
56 HE3 TRP 11 HE3 TRP 11 4.020 -4.280 -1.186
57 HZ2 TRP 11 HZ2 TRP 11 5.402 -8.209 -3.928
58 HZ3 TRP 11 HZ3 TRP 11 6.008 -5.607 -0.601
59 HH2 TRP 11 HH2 TRP 11 6.683 -7.531 -1.945
60 H GLY 12 H GLY 12 -1.611 -3.550 -3.397
61 HA2 GLY 12 1HA GLY 12 -3.434 -2.164 -2.636
62 HA3 GLY 12 2HA GLY 12 -2.282 -1.264 -1.661
63 H GLY 13 H GLY 13 -3.290 0.619 -2.682
64 HA2 GLY 13 1HA GLY 13 -2.069 1.143 -5.320
65 HA3 GLY 13 2HA GLY 13 -3.709 1.652 -4.947
66 H CYS 14 H CYS 14 -2.829 3.776 -5.592
67 HA CYS 14 HA CYS 14 -1.567 5.097 -3.282
68 HB2 CYS 14 1HB CYS 14 -1.068 5.698 -6.206
69 HB3 CYS 14 2HB CYS 14 -0.410 6.610 -4.852
70 H ARG 15 H ARG 15 -1.977 7.480 -3.248
71 HA ARG 15 HA ARG 15 -4.725 8.009 -3.270
72 HB2 ARG 15 1HB ARG 15 -2.445 9.994 -3.305
73 HB3 ARG 15 2HB ARG 15 -4.104 10.342 -2.837
74 HG2 ARG 15 1HG ARG 15 -2.675 8.174 -1.398
75 HG3 ARG 15 2HG ARG 15 -2.227 9.847 -1.054
76 HD2 ARG 15 1HD ARG 15 -4.625 10.337 -0.621
77 HD3 ARG 15 2HD ARG 15 -4.973 8.621 -0.829
78 HE ARG 15 HE ARG 15 -2.951 9.101 1.135
79 HH11 ARG 15 1HH1 ARG 15 -6.387 9.041 0.575
80 HH12 ARG 15 2HH1 ARG 15 -6.783 8.725 2.232
81 HH21 ARG 15 1HH2 ARG 15 -3.460 8.686 3.319
82 HH22 ARG 15 2HH2 ARG 15 -5.117 8.525 3.792
83 H GLY 16 H GLY 16 -5.702 9.938 -4.460
84 HA2 GLY 16 1HA GLY 16 -5.958 9.393 -7.150
85 HA3 GLY 16 2HA GLY 16 -6.338 10.948 -6.425
86 H GLY 17 H GLY 17 -3.728 11.668 -5.605
87 HA2 GLY 17 1HA GLY 17 -2.772 13.009 -7.823
88 HA3 GLY 17 2HA GLY 17 -1.807 12.646 -6.400
89 H LEU 18 H LEU 18 -1.972 9.770 -6.718
90 HA LEU 18 HA LEU 18 -0.147 9.485 -9.010
91 HB2 LEU 18 1HB LEU 18 -0.330 7.842 -6.488
92 HB3 LEU 18 2HB LEU 18 0.800 7.563 -7.811
93 HG LEU 18 HG LEU 18 0.748 9.962 -5.981
94 HD11 LEU 18 1HD1 LEU 18 2.648 9.095 -4.949
95 HD12 LEU 18 2HD1 LEU 18 2.941 7.937 -6.246
96 HD13 LEU 18 3HD1 LEU 18 1.595 7.692 -5.134
97 HD21 LEU 18 3HD2 LEU 18 1.493 10.764 -8.059
98 HD22 LEU 18 1HD2 LEU 18 2.410 9.295 -8.393
99 HD23 LEU 18 2HD2 LEU 18 2.964 10.416 -7.149
100 H CYS 19 H CYS 19 -0.174 7.423 -10.144
101 HA CYS 19 HA CYS 19 -2.662 5.899 -9.911
102 HB2 CYS 19 1HB CYS 19 -1.680 7.251 -12.429
103 HB3 CYS 19 2HB CYS 19 -2.887 5.969 -12.426
104 H CYS 20 H CYS 20 -2.564 3.791 -10.773
105 HA CYS 20 HA CYS 20 0.013 2.585 -10.618
106 HB2 CYS 20 1HB CYS 20 -2.377 1.626 -10.062
107 HB3 CYS 20 2HB CYS 20 -2.349 1.142 -11.755
108 H SER 21 H SER 21 1.472 2.469 -12.178
109 HA SER 21 HA SER 21 0.788 3.108 -14.903
110 HB2 SER 21 1HB SER 21 3.110 3.189 -15.318
111 HB3 SER 21 2HB SER 21 2.943 3.768 -13.660
112 HG SER 21 HG SER 21 4.157 2.174 -13.067
113 H GLN 22 H GLN 22 1.908 1.683 -16.651
114 HA GLN 22 HA GLN 22 0.600 -0.834 -16.623
115 HB2 GLN 22 1HB GLN 22 1.799 -1.201 -18.784
116 HB3 GLN 22 2HB GLN 22 0.890 0.303 -18.716
117 HG2 GLN 22 1HG GLN 22 3.488 0.883 -17.801
118 HG3 GLN 22 2HG GLN 22 3.660 -0.107 -19.249
119 HE21 GLN 22 2HE2 GLN 22 2.423 0.594 -21.152
120 HE22 GLN 22 1HE2 GLN 22 2.220 2.288 -21.421
121 H TYR 23 H TYR 23 3.501 0.174 -15.281
122 HA TYR 23 HA TYR 23 4.674 -2.517 -15.410
123 HB2 TYR 23 1HB TYR 23 5.946 0.087 -14.542
124 HB3 TYR 23 2HB TYR 23 6.763 -1.466 -14.672
125 HD1 TYR 23 HD1 TYR 23 5.831 -2.512 -17.217
126 HD2 TYR 23 HD2 TYR 23 6.863 1.476 -16.154
127 HE1 TYR 23 HE1 TYR 23 6.375 -2.033 -19.567
128 HE2 TYR 23 HE2 TYR 23 7.409 1.967 -18.502
129 HH TYR 23 HH TYR 23 6.830 -0.398 -21.056
130 H GLY 24 H GLY 24 2.521 -1.107 -13.572
131 HA2 GLY 24 1HA GLY 24 1.756 -1.649 -11.460
132 HA3 GLY 24 2HA GLY 24 3.167 -2.676 -11.257
133 H TYR 25 H TYR 25 3.939 0.480 -12.221
134 HA TYR 25 HA TYR 25 4.752 1.120 -9.468
135 HB2 TYR 25 1HB TYR 25 5.833 2.343 -12.009
136 HB3 TYR 25 2HB TYR 25 6.513 2.457 -10.390
137 HD1 TYR 25 HD1 TYR 25 6.380 -0.359 -9.507
138 HD2 TYR 25 HD2 TYR 25 7.497 1.296 -13.264
139 HE1 TYR 25 HE1 TYR 25 7.781 -2.331 -9.953
140 HE2 TYR 25 HE2 TYR 25 8.899 -0.672 -13.721
141 HH TYR 25 HH TYR 25 8.651 -3.497 -12.215
142 H CYS 26 H CYS 26 3.981 2.877 -8.467
143 HA CYS 26 HA CYS 26 1.821 4.332 -9.643
144 HB2 CYS 26 1HB CYS 26 3.181 4.268 -6.998
145 HB3 CYS 26 2HB CYS 26 2.281 5.726 -7.406
146 H GLY 27 H GLY 27 1.796 6.302 -10.568
147 HA2 GLY 27 1HA GLY 27 4.006 8.145 -10.221
148 HA3 GLY 27 2HA GLY 27 3.866 7.463 -11.835
149 H SER 28 H SER 28 3.693 10.165 -11.498
150 HA SER 28 HA SER 28 0.822 10.774 -11.646
151 HB2 SER 28 1HB SER 28 1.924 13.213 -11.658
152 HB3 SER 28 2HB SER 28 1.606 12.334 -10.163
153 HG SER 28 HG SER 28 3.936 13.190 -11.096
154 H GLY 29 H GLY 29 0.041 12.149 -13.343
155 HA2 GLY 29 1HA GLY 29 0.606 13.359 -15.425
156 HA3 GLY 29 2HA GLY 29 1.721 12.046 -15.773
157 HA PRO 30 HA PRO 30 -2.453 11.165 -17.545
158 HB2 PRO 30 1HB PRO 30 -2.129 11.885 -20.162
159 HB3 PRO 30 2HB PRO 30 -2.910 12.911 -18.975
160 HG2 PRO 30 1HG PRO 30 -0.207 13.156 -20.146
161 HG3 PRO 30 2HG PRO 30 -1.154 14.369 -19.307
162 HD2 PRO 30 1HD PRO 30 1.062 12.886 -18.248
163 HD3 PRO 30 2HD PRO 30 0.042 14.013 -17.376
164 H LYS 31 H LYS 31 0.713 10.563 -18.295
165 HA LYS 31 HA LYS 31 0.225 8.323 -20.034
166 HB2 LYS 31 1HB LYS 31 2.652 9.521 -18.746
167 HB3 LYS 31 2HB LYS 31 2.746 7.921 -19.470
168 HG2 LYS 31 1HG LYS 31 1.478 9.862 -21.220
169 HG3 LYS 31 2HG LYS 31 3.120 10.321 -20.762
170 HD2 LYS 31 1HD LYS 31 2.504 7.541 -21.700
171 HD3 LYS 31 2HD LYS 31 2.780 8.847 -22.856
172 HE2 LYS 31 1HE LYS 31 4.851 9.076 -21.009
173 HE3 LYS 31 2HE LYS 31 4.678 7.342 -21.275
174 HZ1 LYS 31 3HZ LYS 31 5.065 7.591 -23.558
175 HZ2 LYS 31 1HZ LYS 31 6.224 8.577 -22.819
176 HZ3 LYS 31 2HZ LYS 31 4.847 9.268 -23.515
177 H TYR 32 H TYR 32 -0.028 8.799 -16.738
178 HA TYR 32 HA TYR 32 0.343 5.923 -16.211
179 HB2 TYR 32 1HB TYR 32 0.838 8.300 -14.422
180 HB3 TYR 32 2HB TYR 32 0.684 6.663 -13.795
181 HD1 TYR 32 HD1 TYR 32 2.120 5.117 -15.864
182 HD2 TYR 32 HD2 TYR 32 3.076 8.848 -14.058
183 HE1 TYR 32 HE1 TYR 32 4.505 4.716 -16.314
184 HE2 TYR 32 HE2 TYR 32 5.464 8.459 -14.503
185 HH TYR 32 HH TYR 32 6.646 6.504 -16.613
186 H CYS 33 H CYS 33 -1.659 8.756 -15.773
187 HA CYS 33 HA CYS 33 -3.649 7.251 -14.266
188 HB2 CYS 33 1HB CYS 33 -3.309 10.148 -14.987
189 HB3 CYS 33 2HB CYS 33 -4.862 9.546 -14.416
190 H ALA 34 H ALA 34 -3.104 8.565 -17.454
191 HA ALA 34 HA ALA 34 -4.166 8.210 -19.440
192 HB1 ALA 34 1HB ALA 34 -4.421 5.861 -18.271
193 HB2 ALA 34 2HB ALA 34 -6.124 6.320 -18.243
194 HB3 ALA 34 3HB ALA 34 -5.260 6.233 -19.778
195 H HIS 35 H HIS 35 -4.968 10.344 -17.797
196 HA HIS 35 HA HIS 35 -7.868 10.453 -17.871
197 HB2 HIS 35 1HB HIS 35 -6.309 11.472 -16.058
198 HB3 HIS 35 2HB HIS 35 -6.088 12.783 -17.213
199 HD1 HIS 35 HD1 HIS 35 -8.962 10.993 -15.480
200 HD2 HIS 35 HD2 HIS 35 -7.963 14.724 -17.010
201 HE1 HIS 35 HE1 HIS 35 -10.891 12.498 -14.895
202 HE2 HIS 35 HE2 HIS 35 -10.302 14.728 -15.905
Start of MODEL 11
1 H1 SER 1 H SER 1 0.779 -0.780 0.326
2 HA SER 1 HA SER 1 1.649 -0.658 -1.797
3 HB2 SER 1 1HB SER 1 2.324 2.243 -1.539
4 HB3 SER 1 2HB SER 1 1.757 1.344 -2.946
5 HG SER 1 HG SER 1 -0.298 1.202 -1.841
6 H GLY 2 H GLY 2 3.621 -1.391 -2.265
7 HA2 GLY 2 1HA GLY 2 5.716 -1.460 -0.462
8 HA3 GLY 2 2HA GLY 2 5.894 -1.717 -2.192
9 HA PRO 3 HA PRO 3 7.790 2.133 -0.517
10 HB2 PRO 3 1HB PRO 3 10.473 1.552 -0.522
11 HB3 PRO 3 2HB PRO 3 9.405 1.334 0.905
12 HG2 PRO 3 1HG PRO 3 10.398 -0.705 -1.085
13 HG3 PRO 3 2HG PRO 3 10.017 -0.898 0.659
14 HD2 PRO 3 1HD PRO 3 8.346 -1.728 -1.419
15 HD3 PRO 3 2HD PRO 3 7.779 -1.340 0.240
16 H ASN 4 H ASN 4 8.213 0.359 -3.238
17 HA ASN 4 HA ASN 4 9.594 2.505 -4.671
18 HB2 ASN 4 1HB ASN 4 9.145 -0.399 -5.158
19 HB3 ASN 4 2HB ASN 4 9.304 0.646 -6.567
20 HD21 ASN 4 2HD2 ASN 4 10.880 -0.446 -3.632
21 HD22 ASN 4 1HD2 ASN 4 12.493 -0.099 -4.145
22 H GLY 5 H GLY 5 6.517 1.799 -3.855
23 HA2 GLY 5 1HA GLY 5 4.609 2.936 -4.596
24 HA3 GLY 5 2HA GLY 5 5.466 3.368 -6.069
25 H GLN 6 H GLN 6 5.403 0.077 -4.943
26 HA GLN 6 HA GLN 6 4.315 -0.854 -7.396
27 HB2 GLN 6 1HB GLN 6 4.663 -2.340 -4.786
28 HB3 GLN 6 2HB GLN 6 4.392 -3.071 -6.362
29 HG2 GLN 6 1HG GLN 6 6.620 -3.274 -6.372
30 HG3 GLN 6 2HG GLN 6 6.579 -1.589 -6.889
31 HE21 GLN 6 2HE2 GLN 6 8.071 -3.631 -4.871
32 HE22 GLN 6 1HE2 GLN 6 8.528 -2.546 -3.608
33 H CYS 7 H CYS 7 2.274 -1.251 -7.977
34 HA CYS 7 HA CYS 7 0.197 -1.162 -5.887
35 HB2 CYS 7 1HB CYS 7 -1.287 -0.227 -7.747
36 HB3 CYS 7 2HB CYS 7 -0.067 0.856 -7.084
37 H GLY 8 H GLY 8 -1.567 -2.548 -6.108
38 HA2 GLY 8 1HA GLY 8 -2.773 -4.069 -7.701
39 HA3 GLY 8 2HA GLY 8 -1.180 -4.697 -8.099
40 HA PRO 9 HA PRO 9 -3.443 -7.166 -5.257
41 HB2 PRO 9 1HB PRO 9 -2.241 -9.548 -6.450
42 HB3 PRO 9 2HB PRO 9 -3.981 -9.120 -6.334
43 HG2 PRO 9 1HG PRO 9 -2.535 -8.976 -8.682
44 HG3 PRO 9 2HG PRO 9 -3.953 -7.930 -8.330
45 HD2 PRO 9 1HD PRO 9 -1.021 -7.257 -8.300
46 HD3 PRO 9 2HD PRO 9 -2.437 -6.194 -8.601
47 H GLY 10 H GLY 10 -2.239 -6.311 -3.532
48 HA2 GLY 10 1HA GLY 10 -1.589 -7.791 -1.539
49 HA3 GLY 10 2HA GLY 10 -0.204 -8.199 -2.540
50 H TRP 11 H TRP 11 -0.597 -5.186 -3.436
51 HA TRP 11 HA TRP 11 1.020 -4.107 -1.221
52 HB2 TRP 11 1HB TRP 11 1.105 -3.154 -4.083
53 HB3 TRP 11 2HB TRP 11 2.242 -2.790 -2.788
54 HD1 TRP 11 HD1 TRP 11 1.377 -5.472 -5.349
55 HE1 TRP 11 HE1 TRP 11 3.284 -7.200 -5.423
56 HE3 TRP 11 HE3 TRP 11 4.088 -3.861 -1.325
57 HZ2 TRP 11 HZ2 TRP 11 5.627 -7.800 -3.967
58 HZ3 TRP 11 HZ3 TRP 11 6.150 -5.067 -0.733
59 HH2 TRP 11 HH2 TRP 11 6.901 -6.996 -2.027
60 H GLY 12 H GLY 12 -1.607 -3.509 -3.464
61 HA2 GLY 12 1HA GLY 12 -3.488 -2.202 -2.618
62 HA3 GLY 12 2HA GLY 12 -2.316 -1.131 -1.863
63 H GLY 13 H GLY 13 -3.714 0.468 -3.042
64 HA2 GLY 13 1HA GLY 13 -3.094 0.638 -5.905
65 HA3 GLY 13 2HA GLY 13 -4.327 1.564 -5.062
66 H CYS 14 H CYS 14 -3.340 3.359 -6.281
67 HA CYS 14 HA CYS 14 -0.834 4.315 -5.076
68 HB2 CYS 14 1HB CYS 14 -2.226 5.193 -7.616
69 HB3 CYS 14 2HB CYS 14 -0.710 5.851 -7.008
70 H ARG 15 H ARG 15 -0.687 6.690 -4.724
71 HA ARG 15 HA ARG 15 -2.770 7.562 -3.026
72 HB2 ARG 15 1HB ARG 15 -0.393 9.009 -4.198
73 HB3 ARG 15 2HB ARG 15 -1.489 9.739 -3.032
74 HG2 ARG 15 1HG ARG 15 0.061 7.210 -2.526
75 HG3 ARG 15 2HG ARG 15 0.608 8.821 -2.056
76 HD2 ARG 15 1HD ARG 15 -1.704 8.982 -0.887
77 HD3 ARG 15 2HD ARG 15 -1.700 7.224 -1.018
78 HE ARG 15 HE ARG 15 -0.113 8.833 0.755
79 HH11 ARG 15 1HH1 ARG 15 -0.340 5.782 -0.906
80 HH12 ARG 15 2HH1 ARG 15 0.683 4.947 0.215
81 HH21 ARG 15 1HH2 ARG 15 1.235 7.745 2.239
82 HH22 ARG 15 2HH2 ARG 15 1.578 6.064 2.004
83 H GLY 16 H GLY 16 -3.757 9.814 -3.276
84 HA2 GLY 16 1HA GLY 16 -5.570 9.841 -5.361
85 HA3 GLY 16 2HA GLY 16 -5.137 11.256 -4.414
86 H GLY 17 H GLY 17 -2.573 11.757 -5.116
87 HA2 GLY 17 1HA GLY 17 -2.912 12.802 -7.784
88 HA3 GLY 17 2HA GLY 17 -1.540 13.077 -6.719
89 H LEU 18 H LEU 18 -1.921 9.850 -6.677
90 HA LEU 18 HA LEU 18 -0.023 9.481 -8.895
91 HB2 LEU 18 1HB LEU 18 -0.410 7.858 -6.385
92 HB3 LEU 18 2HB LEU 18 0.722 7.465 -7.678
93 HG LEU 18 HG LEU 18 0.844 9.931 -5.943
94 HD11 LEU 18 1HD1 LEU 18 2.720 8.894 -4.859
95 HD12 LEU 18 2HD1 LEU 18 2.607 7.487 -5.916
96 HD13 LEU 18 3HD1 LEU 18 1.329 7.816 -4.746
97 HD21 LEU 18 3HD2 LEU 18 3.086 10.182 -6.963
98 HD22 LEU 18 1HD2 LEU 18 1.770 10.357 -8.125
99 HD23 LEU 18 2HD2 LEU 18 2.700 8.859 -8.065
100 H CYS 19 H CYS 19 -0.102 7.367 -9.992
101 HA CYS 19 HA CYS 19 -2.661 5.979 -9.885
102 HB2 CYS 19 1HB CYS 19 -1.632 7.414 -12.335
103 HB3 CYS 19 2HB CYS 19 -2.857 6.152 -12.405
104 H CYS 20 H CYS 20 -2.629 3.908 -10.846
105 HA CYS 20 HA CYS 20 -0.090 2.614 -10.726
106 HB2 CYS 20 1HB CYS 20 -2.505 1.705 -10.211
107 HB3 CYS 20 2HB CYS 20 -2.499 1.301 -11.925
108 H SER 21 H SER 21 1.374 2.552 -12.284
109 HA SER 21 HA SER 21 0.711 3.298 -14.986
110 HB2 SER 21 1HB SER 21 3.034 3.362 -15.389
111 HB3 SER 21 2HB SER 21 2.871 3.879 -13.710
112 HG SER 21 HG SER 21 4.069 2.250 -13.184
113 H GLN 22 H GLN 22 1.822 1.920 -16.779
114 HA GLN 22 HA GLN 22 0.472 -0.574 -16.852
115 HB2 GLN 22 1HB GLN 22 1.159 1.000 -18.798
116 HB3 GLN 22 2HB GLN 22 2.701 0.157 -18.727
117 HG2 GLN 22 1HG GLN 22 1.293 -0.825 -20.417
118 HG3 GLN 22 2HG GLN 22 1.544 -1.970 -19.100
119 HE21 GLN 22 2HE2 GLN 22 -0.244 -3.163 -19.098
120 HE22 GLN 22 1HE2 GLN 22 -1.855 -2.550 -18.989
121 H TYR 23 H TYR 23 3.382 0.337 -15.455
122 HA TYR 23 HA TYR 23 4.506 -2.371 -15.668
123 HB2 TYR 23 1HB TYR 23 5.726 0.300 -15.014
124 HB3 TYR 23 2HB TYR 23 6.548 -1.202 -14.608
125 HD1 TYR 23 HD2 TYR 23 7.351 -2.698 -16.388
126 HD2 TYR 23 HD1 TYR 23 5.570 1.059 -17.289
127 HE1 TYR 23 HE2 TYR 23 8.267 -2.817 -18.667
128 HE2 TYR 23 HE1 TYR 23 6.481 0.951 -19.571
129 HH TYR 23 HH TYR 23 7.337 -0.571 -21.141
130 H GLY 24 H GLY 24 2.374 -0.972 -13.793
131 HA2 GLY 24 1HA GLY 24 1.588 -1.558 -11.701
132 HA3 GLY 24 2HA GLY 24 2.968 -2.633 -11.531
133 H TYR 25 H TYR 25 3.821 0.539 -12.382
134 HA TYR 25 HA TYR 25 4.649 1.056 -9.607
135 HB2 TYR 25 1HB TYR 25 5.780 2.170 -12.182
136 HB3 TYR 25 2HB TYR 25 6.383 2.511 -10.564
137 HD1 TYR 25 HD2 TYR 25 6.419 -0.099 -9.289
138 HD2 TYR 25 HD1 TYR 25 7.424 0.965 -13.284
139 HE1 TYR 25 HE2 TYR 25 7.908 -2.051 -9.428
140 HE2 TYR 25 HE1 TYR 25 8.915 -0.985 -13.435
141 HH TYR 25 HH TYR 25 9.811 -2.706 -12.354
142 H CYS 26 H CYS 26 3.901 2.784 -8.546
143 HA CYS 26 HA CYS 26 1.763 4.310 -9.609
144 HB2 CYS 26 1HB CYS 26 3.398 4.548 -7.086
145 HB3 CYS 26 2HB CYS 26 2.092 5.665 -7.468
146 H GLY 27 H GLY 27 1.674 6.373 -10.386
147 HA2 GLY 27 1HA GLY 27 3.889 8.183 -10.238
148 HA3 GLY 27 2HA GLY 27 3.751 7.443 -11.826
149 H SER 28 H SER 28 3.541 10.149 -11.592
150 HA SER 28 HA SER 28 0.664 10.725 -11.715
151 HB2 SER 28 1HB SER 28 1.746 13.167 -11.886
152 HB3 SER 28 2HB SER 28 1.474 12.367 -10.338
153 HG SER 28 HG SER 28 3.591 11.916 -10.178
154 H GLY 29 H GLY 29 0.094 12.466 -13.385
155 HA2 GLY 29 1HA GLY 29 0.513 13.412 -15.551
156 HA3 GLY 29 2HA GLY 29 1.620 12.086 -15.873
157 HA PRO 30 HA PRO 30 -2.595 11.153 -17.526
158 HB2 PRO 30 1HB PRO 30 -2.348 11.822 -20.164
159 HB3 PRO 30 2HB PRO 30 -3.105 12.866 -18.978
160 HG2 PRO 30 1HG PRO 30 -0.436 13.108 -20.226
161 HG3 PRO 30 2HG PRO 30 -1.370 14.330 -19.386
162 HD2 PRO 30 1HD PRO 30 0.885 12.886 -18.359
163 HD3 PRO 30 2HD PRO 30 -0.119 14.022 -17.482
164 H LYS 31 H LYS 31 0.555 10.588 -18.420
165 HA LYS 31 HA LYS 31 0.011 8.280 -20.052
166 HB2 LYS 31 1HB LYS 31 2.085 9.884 -20.065
167 HB3 LYS 31 2HB LYS 31 2.677 8.819 -18.797
168 HG2 LYS 31 1HG LYS 31 3.564 7.694 -20.523
169 HG3 LYS 31 2HG LYS 31 1.946 6.998 -20.640
170 HD2 LYS 31 1HD LYS 31 2.470 9.555 -22.063
171 HD3 LYS 31 2HD LYS 31 3.166 8.078 -22.734
172 HE2 LYS 31 1HE LYS 31 0.620 7.285 -22.187
173 HE3 LYS 31 2HE LYS 31 0.374 8.975 -22.622
174 HZ1 LYS 31 3HZ LYS 31 1.490 6.793 -24.264
175 HZ2 LYS 31 1HZ LYS 31 1.831 8.409 -24.631
176 HZ3 LYS 31 2HZ LYS 31 0.231 7.861 -24.632
177 H TYR 32 H TYR 32 -0.101 8.852 -16.779
178 HA TYR 32 HA TYR 32 0.429 6.017 -16.168
179 HB2 TYR 32 1HB TYR 32 0.874 8.482 -14.491
180 HB3 TYR 32 2HB TYR 32 0.810 6.869 -13.791
181 HD1 TYR 32 HD1 TYR 32 2.501 8.580 -16.660
182 HD2 TYR 32 HD2 TYR 32 2.838 5.853 -13.411
183 HE1 TYR 32 HE1 TYR 32 4.885 8.268 -17.177
184 HE2 TYR 32 HE2 TYR 32 5.224 5.535 -13.918
185 HH TYR 32 HH TYR 32 6.985 7.551 -15.817
186 H CYS 33 H CYS 33 -1.700 8.758 -15.762
187 HA CYS 33 HA CYS 33 -3.548 7.239 -14.103
188 HB2 CYS 33 1HB CYS 33 -3.391 10.093 -15.018
189 HB3 CYS 33 2HB CYS 33 -4.905 9.450 -14.387
190 H ALA 34 H ALA 34 -3.341 8.592 -17.354
191 HA ALA 34 HA ALA 34 -5.974 7.557 -18.043
192 HB1 ALA 34 1HB ALA 34 -4.205 8.751 -20.103
193 HB2 ALA 34 2HB ALA 34 -5.940 8.941 -19.849
194 HB3 ALA 34 3HB ALA 34 -4.798 9.805 -18.819
195 H HIS 35 H HIS 35 -4.469 5.455 -17.361
196 HA HIS 35 HA HIS 35 -3.625 3.453 -18.046
197 HB2 HIS 35 1HB HIS 35 -5.879 3.657 -19.295
198 HB3 HIS 35 2HB HIS 35 -4.897 3.968 -20.723
199 HD1 HIS 35 HD1 HIS 35 -6.705 1.339 -19.581
200 HD2 HIS 35 HD2 HIS 35 -2.662 1.671 -20.478
201 HE1 HIS 35 HE1 HIS 35 -5.920 -1.008 -20.025
202 HE2 HIS 35 HE2 HIS 35 -3.453 -0.791 -20.482
Start of MODEL 12
1 H1 SER 1 H SER 1 1.225 0.711 0.523
2 HA SER 1 HA SER 1 1.490 -0.886 -1.889
3 HB2 SER 1 1HB SER 1 2.359 1.843 -2.430
4 HB3 SER 1 2HB SER 1 1.357 0.770 -3.406
5 HG SER 1 HG SER 1 0.624 2.803 -1.743
6 H GLY 2 H GLY 2 3.585 -1.413 -2.363
7 HA2 GLY 2 1HA GLY 2 5.507 -1.360 -0.367
8 HA3 GLY 2 2HA GLY 2 5.850 -1.644 -2.067
9 HA PRO 3 HA PRO 3 7.476 2.291 -0.344
10 HB2 PRO 3 1HB PRO 3 10.180 1.824 -0.247
11 HB3 PRO 3 2HB PRO 3 9.067 1.552 1.137
12 HG2 PRO 3 1HG PRO 3 10.222 -0.432 -0.821
13 HG3 PRO 3 2HG PRO 3 9.782 -0.650 0.906
14 HD2 PRO 3 1HD PRO 3 8.230 -1.539 -1.239
15 HD3 PRO 3 2HD PRO 3 7.582 -1.184 0.398
16 H ASN 4 H ASN 4 8.076 0.553 -3.054
17 HA ASN 4 HA ASN 4 9.411 2.771 -4.423
18 HB2 ASN 4 1HB ASN 4 9.142 -0.151 -4.928
19 HB3 ASN 4 2HB ASN 4 9.298 0.903 -6.330
20 HD21 ASN 4 2HD2 ASN 4 10.817 -0.113 -3.340
21 HD22 ASN 4 1HD2 ASN 4 12.427 0.328 -3.788
22 H GLY 5 H GLY 5 6.347 1.916 -3.733
23 HA2 GLY 5 1HA GLY 5 4.421 2.965 -4.558
24 HA3 GLY 5 2HA GLY 5 5.311 3.414 -6.005
25 H GLN 6 H GLN 6 5.331 0.141 -4.814
26 HA GLN 6 HA GLN 6 4.394 -0.881 -7.293
27 HB2 GLN 6 1HB GLN 6 4.716 -2.272 -4.628
28 HB3 GLN 6 2HB GLN 6 4.469 -3.075 -6.172
29 HG2 GLN 6 1HG GLN 6 6.702 -3.234 -6.153
30 HG3 GLN 6 2HG GLN 6 6.626 -1.581 -6.761
31 HE21 GLN 6 2HE2 GLN 6 8.198 -3.452 -4.669
32 HE22 GLN 6 1HE2 GLN 6 8.607 -2.300 -3.449
33 H CYS 7 H CYS 7 2.396 -1.342 -7.962
34 HA CYS 7 HA CYS 7 0.222 -1.296 -5.971
35 HB2 CYS 7 1HB CYS 7 -1.208 -0.451 -7.907
36 HB3 CYS 7 2HB CYS 7 -0.045 0.686 -7.233
37 H GLY 8 H GLY 8 -1.485 -2.747 -6.247
38 HA2 GLY 8 1HA GLY 8 -2.553 -4.347 -7.862
39 HA3 GLY 8 2HA GLY 8 -0.921 -4.928 -8.159
40 HA PRO 9 HA PRO 9 -3.244 -7.408 -5.378
41 HB2 PRO 9 1HB PRO 9 -1.893 -9.772 -6.440
42 HB3 PRO 9 2HB PRO 9 -3.652 -9.406 -6.430
43 HG2 PRO 9 1HG PRO 9 -2.084 -9.266 -8.700
44 HG3 PRO 9 2HG PRO 9 -3.556 -8.266 -8.453
45 HD2 PRO 9 1HD PRO 9 -0.656 -7.483 -8.281
46 HD3 PRO 9 2HD PRO 9 -2.091 -6.481 -8.687
47 H GLY 10 H GLY 10 -2.167 -6.465 -3.614
48 HA2 GLY 10 1HA GLY 10 -1.576 -7.873 -1.551
49 HA3 GLY 10 2HA GLY 10 -0.123 -8.248 -2.464
50 H TRP 11 H TRP 11 -0.579 -5.276 -3.456
51 HA TRP 11 HA TRP 11 0.863 -4.080 -1.181
52 HB2 TRP 11 1HB TRP 11 1.087 -3.201 -4.060
53 HB3 TRP 11 2HB TRP 11 2.127 -2.755 -2.709
54 HD1 TRP 11 HD1 TRP 11 1.525 -5.542 -5.235
55 HE1 TRP 11 HE1 TRP 11 3.498 -7.191 -5.142
56 HE3 TRP 11 HE3 TRP 11 3.922 -3.708 -1.108
57 HZ2 TRP 11 HZ2 TRP 11 5.770 -7.654 -3.532
58 HZ3 TRP 11 HZ3 TRP 11 5.988 -4.812 -0.357
59 HH2 TRP 11 HH2 TRP 11 6.892 -6.744 -1.545
60 H GLY 12 H GLY 12 -1.640 -3.638 -3.597
61 HA2 GLY 12 1HA GLY 12 -3.617 -2.385 -2.922
62 HA3 GLY 12 2HA GLY 12 -2.546 -1.263 -2.096
63 H GLY 13 H GLY 13 -3.855 0.305 -3.372
64 HA2 GLY 13 1HA GLY 13 -2.960 0.482 -6.173
65 HA3 GLY 13 2HA GLY 13 -4.384 1.273 -5.513
66 H CYS 14 H CYS 14 -3.432 3.160 -6.621
67 HA CYS 14 HA CYS 14 -1.261 4.392 -5.061
68 HB2 CYS 14 1HB CYS 14 -2.240 5.202 -7.804
69 HB3 CYS 14 2HB CYS 14 -0.795 5.779 -6.979
70 H ARG 15 H ARG 15 -1.413 6.758 -4.760
71 HA ARG 15 HA ARG 15 -4.053 7.936 -4.881
72 HB2 ARG 15 1HB ARG 15 -2.710 7.272 -2.264
73 HB3 ARG 15 2HB ARG 15 -3.950 8.511 -2.403
74 HG2 ARG 15 1HG ARG 15 -5.521 6.822 -3.245
75 HG3 ARG 15 2HG ARG 15 -4.275 5.588 -3.048
76 HD2 ARG 15 1HD ARG 15 -4.200 6.033 -0.652
77 HD3 ARG 15 2HD ARG 15 -5.413 7.299 -0.840
78 HE ARG 15 HE ARG 15 -6.359 4.820 -1.849
79 HH11 ARG 15 1HH1 ARG 15 -5.759 6.556 1.109
80 HH12 ARG 15 2HH1 ARG 15 -6.968 5.701 2.009
81 HH21 ARG 15 1HH2 ARG 15 -7.954 3.688 -0.675
82 HH22 ARG 15 2HH2 ARG 15 -8.215 4.070 0.993
83 H GLY 16 H GLY 16 -3.826 10.146 -3.444
84 HA2 GLY 16 1HA GLY 16 -2.910 12.251 -3.449
85 HA3 GLY 16 2HA GLY 16 -1.357 11.440 -3.308
86 H GLY 17 H GLY 17 -3.705 11.350 -5.970
87 HA2 GLY 17 1HA GLY 17 -3.559 12.276 -8.097
88 HA3 GLY 17 2HA GLY 17 -2.050 13.046 -7.627
89 H LEU 18 H LEU 18 -1.637 9.962 -6.714
90 HA LEU 18 HA LEU 18 -0.078 9.353 -9.088
91 HB2 LEU 18 1HB LEU 18 -0.330 7.780 -6.531
92 HB3 LEU 18 2HB LEU 18 0.893 7.575 -7.783
93 HG LEU 18 HG LEU 18 0.603 9.975 -5.977
94 HD11 LEU 18 1HD1 LEU 18 1.508 7.616 -5.168
95 HD12 LEU 18 2HD1 LEU 18 2.240 9.132 -4.646
96 HD13 LEU 18 3HD1 LEU 18 2.977 8.200 -5.949
97 HD21 LEU 18 3HD2 LEU 18 2.277 9.389 -8.356
98 HD22 LEU 18 1HD2 LEU 18 3.031 10.243 -7.009
99 HD23 LEU 18 2HD2 LEU 18 1.602 10.918 -7.792
100 H CYS 19 H CYS 19 -0.204 7.323 -10.188
101 HA CYS 19 HA CYS 19 -2.655 5.777 -9.805
102 HB2 CYS 19 1HB CYS 19 -1.856 7.083 -12.413
103 HB3 CYS 19 2HB CYS 19 -3.099 5.844 -12.267
104 H CYS 20 H CYS 20 -2.608 3.689 -10.801
105 HA CYS 20 HA CYS 20 -0.046 2.463 -10.696
106 HB2 CYS 20 1HB CYS 20 -2.396 1.462 -10.190
107 HB3 CYS 20 2HB CYS 20 -2.451 1.148 -11.922
108 H SER 21 H SER 21 1.444 2.487 -12.230
109 HA SER 21 HA SER 21 0.793 3.235 -14.936
110 HB2 SER 21 1HB SER 21 3.120 3.388 -15.302
111 HB3 SER 21 2HB SER 21 2.908 3.889 -13.625
112 HG SER 21 HG SER 21 4.191 2.323 -13.109
113 H GLN 22 H GLN 22 1.998 1.916 -16.719
114 HA GLN 22 HA GLN 22 0.742 -0.626 -16.840
115 HB2 GLN 22 1HB GLN 22 1.237 0.859 -18.805
116 HB3 GLN 22 2HB GLN 22 2.931 0.417 -18.640
117 HG2 GLN 22 1HG GLN 22 2.619 -1.659 -19.481
118 HG3 GLN 22 2HG GLN 22 0.987 -1.799 -18.829
119 HE21 GLN 22 2HE2 GLN 22 -0.056 -2.418 -20.645
120 HE22 GLN 22 1HE2 GLN 22 -0.193 -1.444 -22.065
121 H TYR 23 H TYR 23 3.585 0.379 -15.377
122 HA TYR 23 HA TYR 23 4.825 -2.276 -15.605
123 HB2 TYR 23 1HB TYR 23 5.915 0.431 -14.866
124 HB3 TYR 23 2HB TYR 23 6.792 -1.045 -14.479
125 HD1 TYR 23 HD1 TYR 23 7.421 -2.601 -16.391
126 HD2 TYR 23 HD2 TYR 23 6.048 1.378 -17.010
127 HE1 TYR 23 HE1 TYR 23 8.387 -2.626 -18.653
128 HE2 TYR 23 HE2 TYR 23 7.009 1.364 -19.274
129 HH TYR 23 HH TYR 23 8.030 -1.445 -20.820
130 H GLY 24 H GLY 24 2.636 -0.884 -13.722
131 HA2 GLY 24 1HA GLY 24 1.811 -1.571 -11.669
132 HA3 GLY 24 2HA GLY 24 3.221 -2.604 -11.487
133 H TYR 25 H TYR 25 3.947 0.627 -12.267
134 HA TYR 25 HA TYR 25 4.681 1.133 -9.460
135 HB2 TYR 25 1HB TYR 25 5.939 2.099 -12.031
136 HB3 TYR 25 2HB TYR 25 6.372 2.724 -10.444
137 HD1 TYR 25 HD2 TYR 25 6.418 -0.275 -12.597
138 HD2 TYR 25 HD1 TYR 25 7.803 1.498 -8.986
139 HE1 TYR 25 HE2 TYR 25 8.038 -2.106 -12.327
140 HE2 TYR 25 HE1 TYR 25 9.428 -0.328 -8.706
141 HH TYR 25 HH TYR 25 10.499 -2.031 -9.854
142 H CYS 26 H CYS 26 3.874 2.860 -8.439
143 HA CYS 26 HA CYS 26 1.753 4.345 -9.579
144 HB2 CYS 26 1HB CYS 26 3.324 4.653 -7.023
145 HB3 CYS 26 2HB CYS 26 2.006 5.738 -7.454
146 H GLY 27 H GLY 27 1.689 6.293 -10.551
147 HA2 GLY 27 1HA GLY 27 3.881 8.163 -10.338
148 HA3 GLY 27 2HA GLY 27 3.745 7.403 -11.917
149 H SER 28 H SER 28 3.530 10.110 -11.720
150 HA SER 28 HA SER 28 0.654 10.686 -11.836
151 HB2 SER 28 1HB SER 28 1.740 13.122 -12.077
152 HB3 SER 28 2HB SER 28 1.483 12.359 -10.508
153 HG SER 28 HG SER 28 3.743 13.216 -11.451
154 H GLY 29 H GLY 29 0.106 12.436 -13.534
155 HA2 GLY 29 1HA GLY 29 0.510 13.317 -15.727
156 HA3 GLY 29 2HA GLY 29 1.583 11.959 -16.033
157 HA PRO 30 HA PRO 30 -2.673 11.083 -17.610
158 HB2 PRO 30 1HB PRO 30 -2.442 11.678 -20.268
159 HB3 PRO 30 2HB PRO 30 -3.159 12.770 -19.100
160 HG2 PRO 30 1HG PRO 30 -0.501 12.916 -20.385
161 HG3 PRO 30 2HG PRO 30 -1.396 14.181 -19.566
162 HD2 PRO 30 1HD PRO 30 0.837 12.710 -18.528
163 HD3 PRO 30 2HD PRO 30 -0.130 13.893 -17.669
164 H LYS 31 H LYS 31 0.452 10.409 -18.497
165 HA LYS 31 HA LYS 31 -0.178 8.066 -20.057
166 HB2 LYS 31 1HB LYS 31 2.310 9.441 -19.164
167 HB3 LYS 31 2HB LYS 31 2.423 7.740 -19.595
168 HG2 LYS 31 1HG LYS 31 1.257 8.400 -21.771
169 HG3 LYS 31 2HG LYS 31 1.646 10.062 -21.323
170 HD2 LYS 31 1HD LYS 31 3.691 7.855 -21.506
171 HD3 LYS 31 2HD LYS 31 3.314 8.955 -22.835
172 HE2 LYS 31 1HE LYS 31 4.215 10.785 -21.747
173 HE3 LYS 31 2HE LYS 31 4.032 10.057 -20.152
174 HZ1 LYS 31 3HZ LYS 31 5.856 8.619 -20.563
175 HZ2 LYS 31 1HZ LYS 31 6.359 10.177 -20.989
176 HZ3 LYS 31 2HZ LYS 31 5.942 9.064 -22.192
177 H TYR 32 H TYR 32 -0.191 8.753 -16.806
178 HA TYR 32 HA TYR 32 0.334 5.939 -16.104
179 HB2 TYR 32 1HB TYR 32 0.790 8.463 -14.516
180 HB3 TYR 32 2HB TYR 32 0.755 6.870 -13.767
181 HD1 TYR 32 HD1 TYR 32 2.383 8.527 -16.703
182 HD2 TYR 32 HD2 TYR 32 2.795 5.870 -13.405
183 HE1 TYR 32 HE1 TYR 32 4.762 8.223 -17.252
184 HE2 TYR 32 HE2 TYR 32 5.174 5.560 -13.944
185 HH TYR 32 HH TYR 32 6.965 6.765 -15.133
186 H CYS 33 H CYS 33 -1.788 8.697 -15.754
187 HA CYS 33 HA CYS 33 -3.637 7.164 -14.088
188 HB2 CYS 33 1HB CYS 33 -3.385 10.058 -14.831
189 HB3 CYS 33 2HB CYS 33 -4.925 9.438 -14.246
190 H ALA 34 H ALA 34 -3.264 8.398 -17.322
191 HA ALA 34 HA ALA 34 -4.587 8.311 -19.186
192 HB1 ALA 34 1HB ALA 34 -5.345 6.144 -19.750
193 HB2 ALA 34 2HB ALA 34 -3.912 5.918 -18.746
194 HB3 ALA 34 3HB ALA 34 -5.518 5.684 -18.056
195 H HIS 35 H HIS 35 -5.786 9.915 -17.364
196 HA HIS 35 HA HIS 35 -8.576 9.070 -17.146
197 HB2 HIS 35 1HB HIS 35 -8.879 10.928 -15.650
198 HB3 HIS 35 2HB HIS 35 -7.403 10.089 -15.181
199 HD1 HIS 35 HD1 HIS 35 -5.246 11.405 -15.239
200 HD2 HIS 35 HD2 HIS 35 -8.444 13.458 -16.919
201 HE1 HIS 35 HE1 HIS 35 -4.420 13.752 -15.608
202 HE2 HIS 35 HE2 HIS 35 -6.399 14.996 -16.545
Start of MODEL 13
1 H1 SER 1 H SER 1 0.865 1.045 0.222
2 HA SER 1 HA SER 1 1.733 -0.777 -1.802
3 HB2 SER 1 1HB SER 1 2.385 2.159 -1.802
4 HB3 SER 1 2HB SER 1 2.028 1.104 -3.170
5 HG SER 1 HG SER 1 -0.020 1.490 -2.910
6 H GLY 2 H GLY 2 3.740 -1.457 -2.316
7 HA2 GLY 2 1HA GLY 2 5.791 -1.490 -0.452
8 HA3 GLY 2 2HA GLY 2 6.005 -1.802 -2.168
9 HA PRO 3 HA PRO 3 7.938 2.056 -0.593
10 HB2 PRO 3 1HB PRO 3 10.615 1.451 -0.663
11 HB3 PRO 3 2HB PRO 3 9.581 1.248 0.791
12 HG2 PRO 3 1HG PRO 3 10.506 -0.807 -1.214
13 HG3 PRO 3 2HG PRO 3 10.167 -0.990 0.539
14 HD2 PRO 3 1HD PRO 3 8.437 -1.814 -1.492
15 HD3 PRO 3 2HD PRO 3 7.915 -1.414 0.179
16 H ASN 4 H ASN 4 8.275 0.268 -3.317
17 HA ASN 4 HA ASN 4 9.638 2.398 -4.793
18 HB2 ASN 4 1HB ASN 4 9.165 -0.506 -5.249
19 HB3 ASN 4 2HB ASN 4 9.285 0.528 -6.670
20 HD21 ASN 4 2HD2 ASN 4 10.943 -0.530 -3.766
21 HD22 ASN 4 1HD2 ASN 4 12.541 -0.197 -4.332
22 H GLY 5 H GLY 5 6.578 1.719 -3.898
23 HA2 GLY 5 1HA GLY 5 4.662 2.867 -4.599
24 HA3 GLY 5 2HA GLY 5 5.484 3.280 -6.097
25 H GLN 6 H GLN 6 5.459 -0.005 -4.972
26 HA GLN 6 HA GLN 6 4.320 -0.963 -7.375
27 HB2 GLN 6 1HB GLN 6 4.661 -2.379 -4.726
28 HB3 GLN 6 2HB GLN 6 4.322 -3.158 -6.266
29 HG2 GLN 6 1HG GLN 6 6.537 -3.431 -6.353
30 HG3 GLN 6 2HG GLN 6 6.544 -1.753 -6.892
31 HE21 GLN 6 2HE2 GLN 6 8.001 -3.830 -4.876
32 HE22 GLN 6 1HE2 GLN 6 8.537 -2.744 -3.644
33 H CYS 7 H CYS 7 2.271 -1.310 -7.956
34 HA CYS 7 HA CYS 7 0.192 -1.148 -5.873
35 HB2 CYS 7 1HB CYS 7 -1.265 -0.201 -7.748
36 HB3 CYS 7 2HB CYS 7 -0.024 0.862 -7.092
37 H GLY 8 H GLY 8 -1.585 -2.511 -6.064
38 HA2 GLY 8 1HA GLY 8 -2.840 -4.021 -7.621
39 HA3 GLY 8 2HA GLY 8 -1.266 -4.670 -8.057
40 HA PRO 9 HA PRO 9 -3.488 -7.117 -5.168
41 HB2 PRO 9 1HB PRO 9 -2.336 -9.510 -6.388
42 HB3 PRO 9 2HB PRO 9 -4.069 -9.064 -6.234
43 HG2 PRO 9 1HG PRO 9 -2.672 -8.932 -8.613
44 HG3 PRO 9 2HG PRO 9 -4.071 -7.873 -8.230
45 HD2 PRO 9 1HD PRO 9 -1.133 -7.229 -8.261
46 HD3 PRO 9 2HD PRO 9 -2.545 -6.152 -8.532
47 H GLY 10 H GLY 10 -2.239 -6.276 -3.468
48 HA2 GLY 10 1HA GLY 10 -1.563 -7.763 -1.490
49 HA3 GLY 10 2HA GLY 10 -0.204 -8.185 -2.521
50 H TRP 11 H TRP 11 -0.585 -5.167 -3.407
51 HA TRP 11 HA TRP 11 1.093 -4.107 -1.228
52 HB2 TRP 11 1HB TRP 11 1.121 -3.150 -4.090
53 HB3 TRP 11 2HB TRP 11 2.292 -2.800 -2.821
54 HD1 TRP 11 HD1 TRP 11 1.443 -5.355 -5.473
55 HE1 TRP 11 HE1 TRP 11 3.290 -7.146 -5.552
56 HE3 TRP 11 HE3 TRP 11 4.018 -4.051 -1.254
57 HZ2 TRP 11 HZ2 TRP 11 5.540 -7.905 -4.027
58 HZ3 TRP 11 HZ3 TRP 11 6.006 -5.361 -0.633
59 HH2 TRP 11 HH2 TRP 11 6.750 -7.248 -1.992
60 H GLY 12 H GLY 12 -1.579 -3.480 -3.409
61 HA2 GLY 12 1HA GLY 12 -3.424 -2.154 -2.499
62 HA3 GLY 12 2HA GLY 12 -2.216 -1.085 -1.800
63 H GLY 13 H GLY 13 -3.706 0.475 -2.970
64 HA2 GLY 13 1HA GLY 13 -3.142 0.624 -5.845
65 HA3 GLY 13 2HA GLY 13 -4.370 1.541 -4.986
66 H CYS 14 H CYS 14 -3.441 3.340 -6.240
67 HA CYS 14 HA CYS 14 -0.927 4.348 -5.093
68 HB2 CYS 14 1HB CYS 14 -2.364 5.161 -7.629
69 HB3 CYS 14 2HB CYS 14 -0.852 5.854 -7.052
70 H ARG 15 H ARG 15 -0.812 6.731 -4.784
71 HA ARG 15 HA ARG 15 -2.894 7.601 -3.080
72 HB2 ARG 15 1HB ARG 15 -0.348 8.257 -3.195
73 HB3 ARG 15 2HB ARG 15 -0.934 9.526 -4.262
74 HG2 ARG 15 1HG ARG 15 -1.705 10.728 -2.561
75 HG3 ARG 15 2HG ARG 15 -2.509 9.333 -1.839
76 HD2 ARG 15 1HD ARG 15 -0.072 8.654 -1.171
77 HD3 ARG 15 2HD ARG 15 0.256 10.371 -1.404
78 HE ARG 15 HE ARG 15 -2.014 9.836 0.280
79 HH11 ARG 15 1HH1 ARG 15 1.442 10.242 0.164
80 HH12 ARG 15 2HH1 ARG 15 1.576 10.698 1.830
81 HH21 ARG 15 1HH2 ARG 15 -1.851 10.436 2.475
82 HH22 ARG 15 2HH2 ARG 15 -0.298 10.807 3.144
83 H GLY 16 H GLY 16 -3.896 9.849 -3.358
84 HA2 GLY 16 1HA GLY 16 -5.727 9.827 -5.428
85 HA3 GLY 16 2HA GLY 16 -5.295 11.261 -4.509
86 H GLY 17 H GLY 17 -2.727 11.743 -5.246
87 HA2 GLY 17 1HA GLY 17 -3.101 12.726 -7.940
88 HA3 GLY 17 2HA GLY 17 -1.738 13.064 -6.883
89 H LEU 18 H LEU 18 -2.073 9.825 -6.765
90 HA LEU 18 HA LEU 18 -0.139 9.439 -8.950
91 HB2 LEU 18 1HB LEU 18 -0.540 7.823 -6.437
92 HB3 LEU 18 2HB LEU 18 0.650 7.485 -7.692
93 HG LEU 18 HG LEU 18 0.603 9.879 -5.857
94 HD11 LEU 18 1HD1 LEU 18 2.809 7.883 -6.025
95 HD12 LEU 18 2HD1 LEU 18 1.361 7.493 -5.097
96 HD13 LEU 18 3HD1 LEU 18 2.318 8.914 -4.680
97 HD21 LEU 18 3HD2 LEU 18 1.443 10.620 -7.954
98 HD22 LEU 18 1HD2 LEU 18 2.412 9.160 -8.154
99 HD23 LEU 18 2HD2 LEU 18 2.837 10.337 -6.911
100 H CYS 19 H CYS 19 -0.193 7.360 -10.063
101 HA CYS 19 HA CYS 19 -2.717 5.905 -9.939
102 HB2 CYS 19 1HB CYS 19 -1.707 7.313 -12.415
103 HB3 CYS 19 2HB CYS 19 -2.944 6.062 -12.443
104 H CYS 20 H CYS 20 -2.636 3.825 -10.864
105 HA CYS 20 HA CYS 20 -0.082 2.578 -10.725
106 HB2 CYS 20 1HB CYS 20 -2.491 1.629 -10.255
107 HB3 CYS 20 2HB CYS 20 -2.445 1.224 -11.967
108 H SER 21 H SER 21 1.410 2.537 -12.257
109 HA SER 21 HA SER 21 0.783 3.279 -14.969
110 HB2 SER 21 1HB SER 21 3.113 3.375 -15.332
111 HB3 SER 21 2HB SER 21 2.912 3.889 -13.657
112 HG SER 21 HG SER 21 4.123 2.277 -13.108
113 H GLN 22 H GLN 22 1.951 1.919 -16.743
114 HA GLN 22 HA GLN 22 0.635 -0.592 -16.847
115 HB2 GLN 22 1HB GLN 22 1.198 0.886 -18.815
116 HB3 GLN 22 2HB GLN 22 2.865 0.351 -18.651
117 HG2 GLN 22 1HG GLN 22 2.421 -1.425 -19.881
118 HG3 GLN 22 2HG GLN 22 1.226 -1.954 -18.698
119 HE21 GLN 22 2HE2 GLN 22 1.760 -0.657 -21.802
120 HE22 GLN 22 1HE2 GLN 22 0.106 -0.485 -22.271
121 H TYR 23 H TYR 23 3.505 0.354 -15.390
122 HA TYR 23 HA TYR 23 4.663 -2.341 -15.580
123 HB2 TYR 23 1HB TYR 23 5.878 0.302 -14.764
124 HB3 TYR 23 2HB TYR 23 6.710 -1.240 -14.600
125 HD1 TYR 23 HD1 TYR 23 6.638 -2.689 -16.881
126 HD2 TYR 23 HD2 TYR 23 6.389 1.551 -16.627
127 HE1 TYR 23 HE1 TYR 23 7.435 -2.509 -19.201
128 HE2 TYR 23 HE2 TYR 23 7.185 1.742 -18.947
129 HH TYR 23 HH TYR 23 7.888 -1.146 -20.892
130 H GLY 24 H GLY 24 2.477 -0.977 -13.751
131 HA2 GLY 24 1HA GLY 24 1.660 -1.563 -11.672
132 HA3 GLY 24 2HA GLY 24 3.048 -2.623 -11.474
133 H TYR 25 H TYR 25 3.871 0.563 -12.311
134 HA TYR 25 HA TYR 25 4.646 1.088 -9.522
135 HB2 TYR 25 1HB TYR 25 5.805 2.270 -12.054
136 HB3 TYR 25 2HB TYR 25 6.402 2.523 -10.418
137 HD1 TYR 25 HD1 TYR 25 6.378 -0.171 -9.293
138 HD2 TYR 25 HD2 TYR 25 7.478 1.132 -13.191
139 HE1 TYR 25 HE1 TYR 25 7.851 -2.127 -9.525
140 HE2 TYR 25 HE2 TYR 25 8.953 -0.821 -13.434
141 HH TYR 25 HH TYR 25 9.764 -2.851 -10.794
142 H CYS 26 H CYS 26 3.861 2.809 -8.475
143 HA CYS 26 HA CYS 26 1.728 4.314 -9.589
144 HB2 CYS 26 1HB CYS 26 3.280 4.531 -7.014
145 HB3 CYS 26 2HB CYS 26 1.991 5.658 -7.425
146 H GLY 27 H GLY 27 1.661 6.332 -10.438
147 HA2 GLY 27 1HA GLY 27 3.843 8.184 -10.175
148 HA3 GLY 27 2HA GLY 27 3.767 7.449 -11.770
149 H SER 28 H SER 28 3.523 10.144 -11.560
150 HA SER 28 HA SER 28 0.646 10.699 -11.754
151 HB2 SER 28 1HB SER 28 1.716 13.148 -11.920
152 HB3 SER 28 2HB SER 28 1.414 12.358 -10.372
153 HG SER 28 HG SER 28 3.485 12.921 -10.200
154 H GLY 29 H GLY 29 0.139 12.472 -13.443
155 HA2 GLY 29 1HA GLY 29 0.602 13.390 -15.606
156 HA3 GLY 29 2HA GLY 29 1.709 12.056 -15.896
157 HA PRO 30 HA PRO 30 -2.467 11.136 -17.647
158 HB2 PRO 30 1HB PRO 30 -2.133 11.754 -20.288
159 HB3 PRO 30 2HB PRO 30 -2.910 12.829 -19.143
160 HG2 PRO 30 1HG PRO 30 -0.202 13.014 -20.315
161 HG3 PRO 30 2HG PRO 30 -1.144 14.263 -19.525
162 HD2 PRO 30 1HD PRO 30 1.060 12.808 -18.405
163 HD3 PRO 30 2HD PRO 30 0.045 13.973 -17.579
164 H LYS 31 H LYS 31 0.700 10.503 -18.407
165 HA LYS 31 HA LYS 31 0.169 8.172 -20.018
166 HB2 LYS 31 1HB LYS 31 2.274 9.772 -19.963
167 HB3 LYS 31 2HB LYS 31 2.817 8.654 -18.719
168 HG2 LYS 31 1HG LYS 31 3.326 7.079 -20.209
169 HG3 LYS 31 2HG LYS 31 1.815 7.303 -21.094
170 HD2 LYS 31 1HD LYS 31 3.204 8.067 -22.706
171 HD3 LYS 31 2HD LYS 31 3.097 9.567 -21.782
172 HE2 LYS 31 1HE LYS 31 5.108 8.396 -20.466
173 HE3 LYS 31 2HE LYS 31 5.333 7.643 -22.044
174 HZ1 LYS 31 3HZ LYS 31 5.217 10.565 -21.526
175 HZ2 LYS 31 1HZ LYS 31 5.433 9.842 -23.040
176 HZ3 LYS 31 2HZ LYS 31 6.619 9.675 -21.846
177 H TYR 32 H TYR 32 -0.007 8.820 -16.760
178 HA TYR 32 HA TYR 32 0.482 5.996 -16.071
179 HB2 TYR 32 1HB TYR 32 0.865 8.493 -14.423
180 HB3 TYR 32 2HB TYR 32 0.807 6.886 -13.709
181 HD1 TYR 32 HD1 TYR 32 2.551 8.626 -16.527
182 HD2 TYR 32 HD2 TYR 32 2.831 5.872 -13.296
183 HE1 TYR 32 HE1 TYR 32 4.952 8.344 -16.983
184 HE2 TYR 32 HE2 TYR 32 5.233 5.583 -13.742
185 HH TYR 32 HH TYR 32 6.721 6.708 -16.589
186 H CYS 33 H CYS 33 -1.646 8.756 -15.781
187 HA CYS 33 HA CYS 33 -3.562 7.238 -14.189
188 HB2 CYS 33 1HB CYS 33 -3.333 10.114 -15.021
189 HB3 CYS 33 2HB CYS 33 -4.868 9.479 -14.439
190 H ALA 34 H ALA 34 -3.077 8.423 -17.433
191 HA ALA 34 HA ALA 34 -4.322 8.274 -19.347
192 HB1 ALA 34 1HB ALA 34 -3.594 5.941 -18.978
193 HB2 ALA 34 2HB ALA 34 -5.112 5.628 -18.136
194 HB3 ALA 34 3HB ALA 34 -5.125 6.055 -19.847
195 H HIS 35 H HIS 35 -5.675 10.021 -18.185
196 HA HIS 35 HA HIS 35 -8.471 9.178 -18.361
197 HB2 HIS 35 1HB HIS 35 -7.135 10.359 -15.973
198 HB3 HIS 35 2HB HIS 35 -8.771 10.894 -16.345
199 HD1 HIS 35 HD1 HIS 35 -9.933 8.174 -17.285
200 HD2 HIS 35 HD2 HIS 35 -7.656 8.718 -13.853
201 HE1 HIS 35 HE1 HIS 35 -10.536 6.261 -15.768
202 HE2 HIS 35 HE2 HIS 35 -9.210 6.658 -13.664
Start of MODEL 14
1 H1 SER 1 H SER 1 0.468 0.452 0.053
2 HA SER 1 HA SER 1 1.696 -0.927 -1.925
3 HB2 SER 1 1HB SER 1 2.363 1.979 -1.778
4 HB3 SER 1 2HB SER 1 1.751 1.033 -3.135
5 HG SER 1 HG SER 1 0.301 2.602 -1.895
6 H GLY 2 H GLY 2 3.705 -1.519 -2.513
7 HA2 GLY 2 1HA GLY 2 5.798 -1.652 -0.713
8 HA3 GLY 2 2HA GLY 2 5.986 -1.785 -2.455
9 HA PRO 3 HA PRO 3 7.727 2.018 -0.499
10 HB2 PRO 3 1HB PRO 3 10.424 1.514 -0.417
11 HB3 PRO 3 2HB PRO 3 9.305 1.200 0.952
12 HG2 PRO 3 1HG PRO 3 10.440 -0.716 -1.084
13 HG3 PRO 3 2HG PRO 3 9.993 -1.000 0.632
14 HD2 PRO 3 1HD PRO 3 8.435 -1.780 -1.551
15 HD3 PRO 3 2HD PRO 3 7.788 -1.486 0.099
16 H ASN 4 H ASN 4 8.309 0.386 -3.279
17 HA ASN 4 HA ASN 4 9.670 2.646 -4.552
18 HB2 ASN 4 1HB ASN 4 9.093 -0.132 -5.609
19 HB3 ASN 4 2HB ASN 4 10.017 1.110 -6.449
20 HD21 ASN 4 2HD2 ASN 4 9.959 -1.056 -3.709
21 HD22 ASN 4 1HD2 ASN 4 11.661 -1.032 -3.409
22 H GLY 5 H GLY 5 6.598 1.793 -3.906
23 HA2 GLY 5 1HA GLY 5 4.711 2.957 -4.706
24 HA3 GLY 5 2HA GLY 5 5.594 3.331 -6.178
25 H GLN 6 H GLN 6 5.355 0.114 -4.797
26 HA GLN 6 HA GLN 6 4.373 -0.940 -7.269
27 HB2 GLN 6 1HB GLN 6 4.772 -2.235 -4.568
28 HB3 GLN 6 2HB GLN 6 4.332 -3.105 -6.031
29 HG2 GLN 6 1HG GLN 6 6.542 -3.426 -6.195
30 HG3 GLN 6 2HG GLN 6 6.524 -1.808 -6.895
31 HE21 GLN 6 2HE2 GLN 6 8.111 -3.687 -4.797
32 HE22 GLN 6 1HE2 GLN 6 8.720 -2.496 -3.705
33 H CYS 7 H CYS 7 2.339 -1.346 -7.870
34 HA CYS 7 HA CYS 7 0.228 -1.228 -5.820
35 HB2 CYS 7 1HB CYS 7 -1.216 -0.209 -7.658
36 HB3 CYS 7 2HB CYS 7 0.025 0.832 -6.967
37 H GLY 8 H GLY 8 -1.562 -2.572 -6.122
38 HA2 GLY 8 1HA GLY 8 -2.751 -4.028 -7.788
39 HA3 GLY 8 2HA GLY 8 -1.160 -4.676 -8.158
40 HA PRO 9 HA PRO 9 -3.543 -7.174 -5.445
41 HB2 PRO 9 1HB PRO 9 -2.346 -9.546 -6.662
42 HB3 PRO 9 2HB PRO 9 -4.082 -9.091 -6.586
43 HG2 PRO 9 1HG PRO 9 -2.566 -8.914 -8.887
44 HG3 PRO 9 2HG PRO 9 -3.976 -7.853 -8.550
45 HD2 PRO 9 1HD PRO 9 -1.035 -7.231 -8.418
46 HD3 PRO 9 2HD PRO 9 -2.424 -6.137 -8.733
47 H GLY 10 H GLY 10 -2.374 -6.381 -3.666
48 HA2 GLY 10 1HA GLY 10 -1.808 -7.923 -1.693
49 HA3 GLY 10 2HA GLY 10 -0.400 -8.326 -2.664
50 H TRP 11 H TRP 11 -0.724 -5.285 -3.490
51 HA TRP 11 HA TRP 11 0.838 -4.287 -1.199
52 HB2 TRP 11 1HB TRP 11 1.036 -3.275 -4.037
53 HB3 TRP 11 2HB TRP 11 2.130 -2.949 -2.695
54 HD1 TRP 11 HD1 TRP 11 1.322 -5.575 -5.333
55 HE1 TRP 11 HE1 TRP 11 3.211 -7.323 -5.374
56 HE3 TRP 11 HE3 TRP 11 3.914 -4.066 -1.193
57 HZ2 TRP 11 HZ2 TRP 11 5.496 -7.977 -3.852
58 HZ3 TRP 11 HZ3 TRP 11 5.941 -5.307 -0.553
59 HH2 TRP 11 HH2 TRP 11 6.713 -7.222 -1.856
60 H GLY 12 H GLY 12 -1.695 -3.587 -3.522
61 HA2 GLY 12 1HA GLY 12 -3.586 -2.269 -2.724
62 HA3 GLY 12 2HA GLY 12 -2.433 -1.246 -1.880
63 H GLY 13 H GLY 13 -3.701 0.443 -3.042
64 HA2 GLY 13 1HA GLY 13 -2.944 0.694 -5.872
65 HA3 GLY 13 2HA GLY 13 -4.221 1.596 -5.069
66 H CYS 14 H CYS 14 -3.136 3.415 -6.185
67 HA CYS 14 HA CYS 14 -0.768 4.350 -4.704
68 HB2 CYS 14 1HB CYS 14 -1.740 5.349 -7.385
69 HB3 CYS 14 2HB CYS 14 -0.200 5.701 -6.609
70 H ARG 15 H ARG 15 -0.642 6.726 -4.387
71 HA ARG 15 HA ARG 15 -2.864 7.677 -2.977
72 HB2 ARG 15 1HB ARG 15 -0.389 9.025 -4.034
73 HB3 ARG 15 2HB ARG 15 -1.621 9.923 -3.157
74 HG2 ARG 15 1HG ARG 15 -0.644 7.454 -1.872
75 HG3 ARG 15 2HG ARG 15 0.500 8.793 -1.984
76 HD2 ARG 15 1HD ARG 15 -1.616 10.151 -1.117
77 HD3 ARG 15 2HD ARG 15 -2.033 8.571 -0.455
78 HE ARG 15 HE ARG 15 0.082 10.316 0.417
79 HH11 ARG 15 1HH1 ARG 15 -1.083 7.037 0.325
80 HH12 ARG 15 2HH1 ARG 15 -0.179 6.538 1.716
81 HH21 ARG 15 1HH2 ARG 15 1.277 9.672 2.250
82 HH22 ARG 15 2HH2 ARG 15 1.162 8.038 2.811
83 H GLY 16 H GLY 16 -4.237 9.499 -3.407
84 HA2 GLY 16 1HA GLY 16 -5.609 9.406 -5.802
85 HA3 GLY 16 2HA GLY 16 -5.644 10.774 -4.700
86 H GLY 17 H GLY 17 -2.715 11.196 -5.034
87 HA2 GLY 17 1HA GLY 17 -2.904 12.950 -7.309
88 HA3 GLY 17 2HA GLY 17 -1.517 12.763 -6.246
89 H LEU 18 H LEU 18 -1.490 9.827 -6.661
90 HA LEU 18 HA LEU 18 -0.218 9.856 -9.312
91 HB2 LEU 18 1HB LEU 18 0.243 8.028 -6.960
92 HB3 LEU 18 2HB LEU 18 1.069 7.915 -8.513
93 HG LEU 18 HG LEU 18 1.260 10.290 -6.664
94 HD11 LEU 18 1HD1 LEU 18 3.712 9.102 -6.665
95 HD12 LEU 18 2HD1 LEU 18 2.634 7.707 -6.648
96 HD13 LEU 18 3HD1 LEU 18 2.505 8.936 -5.390
97 HD21 LEU 18 3HD2 LEU 18 2.937 9.485 -9.039
98 HD22 LEU 18 1HD2 LEU 18 3.115 10.944 -8.062
99 HD23 LEU 18 2HD2 LEU 18 1.678 10.721 -9.062
100 H CYS 19 H CYS 19 -0.118 7.494 -10.239
101 HA CYS 19 HA CYS 19 -2.606 6.039 -9.809
102 HB2 CYS 19 1HB CYS 19 -1.814 7.227 -12.474
103 HB3 CYS 19 2HB CYS 19 -3.069 6.010 -12.270
104 H CYS 20 H CYS 20 -2.601 3.911 -10.718
105 HA CYS 20 HA CYS 20 -0.056 2.651 -10.586
106 HB2 CYS 20 1HB CYS 20 -2.420 1.711 -10.018
107 HB3 CYS 20 2HB CYS 20 -2.490 1.319 -11.733
108 H SER 21 H SER 21 1.417 2.596 -12.136
109 HA SER 21 HA SER 21 0.746 3.235 -14.864
110 HB2 SER 21 1HB SER 21 3.071 3.342 -15.261
111 HB3 SER 21 2HB SER 21 2.883 3.916 -13.604
112 HG SER 21 HG SER 21 4.137 2.349 -13.023
113 H GLN 22 H GLN 22 1.917 1.825 -16.601
114 HA GLN 22 HA GLN 22 0.624 -0.699 -16.609
115 HB2 GLN 22 1HB GLN 22 2.661 0.561 -18.440
116 HB3 GLN 22 2HB GLN 22 2.003 -1.045 -18.723
117 HG2 GLN 22 1HG GLN 22 -0.157 0.743 -18.265
118 HG3 GLN 22 2HG GLN 22 0.923 1.457 -19.461
119 HE21 GLN 22 2HE2 GLN 22 -0.497 1.195 -21.152
120 HE22 GLN 22 1HE2 GLN 22 -0.883 -0.350 -21.821
121 H TYR 23 H TYR 23 3.497 0.322 -15.208
122 HA TYR 23 HA TYR 23 4.673 -2.371 -15.305
123 HB2 TYR 23 1HB TYR 23 5.995 0.159 -14.319
124 HB3 TYR 23 2HB TYR 23 6.767 -1.377 -14.693
125 HD1 TYR 23 HD1 TYR 23 6.505 -2.190 -17.174
126 HD2 TYR 23 HD2 TYR 23 6.010 1.842 -15.910
127 HE1 TYR 23 HE1 TYR 23 6.925 -1.424 -19.473
128 HE2 TYR 23 HE2 TYR 23 6.428 2.619 -18.206
129 HH TYR 23 HH TYR 23 6.332 1.791 -20.476
130 H GLY 24 H GLY 24 2.495 -0.949 -13.510
131 HA2 GLY 24 1HA GLY 24 1.703 -1.444 -11.399
132 HA3 GLY 24 2HA GLY 24 3.085 -2.506 -11.180
133 H TYR 25 H TYR 25 3.843 0.684 -12.132
134 HA TYR 25 HA TYR 25 4.670 1.294 -9.373
135 HB2 TYR 25 1HB TYR 25 5.841 2.261 -11.989
136 HB3 TYR 25 2HB TYR 25 6.396 2.747 -10.391
137 HD1 TYR 25 HD1 TYR 25 6.602 0.374 -8.850
138 HD2 TYR 25 HD2 TYR 25 7.387 0.885 -13.001
139 HE1 TYR 25 HE1 TYR 25 8.132 -1.551 -8.792
140 HE2 TYR 25 HE2 TYR 25 8.917 -1.039 -12.954
141 HH TYR 25 HH TYR 25 9.931 -2.556 -11.683
142 H CYS 26 H CYS 26 3.890 3.055 -8.395
143 HA CYS 26 HA CYS 26 1.772 4.534 -9.562
144 HB2 CYS 26 1HB CYS 26 3.354 5.206 -7.074
145 HB3 CYS 26 2HB CYS 26 1.749 5.797 -7.490
146 H GLY 27 H GLY 27 1.743 6.442 -10.603
147 HA2 GLY 27 1HA GLY 27 3.953 8.297 -10.415
148 HA3 GLY 27 2HA GLY 27 3.815 7.502 -11.976
149 H SER 28 H SER 28 3.631 10.211 -11.857
150 HA SER 28 HA SER 28 0.763 10.823 -11.986
151 HB2 SER 28 1HB SER 28 1.883 13.235 -12.299
152 HB3 SER 28 2HB SER 28 1.618 12.522 -10.708
153 HG SER 28 HG SER 28 3.693 12.453 -10.441
154 H GLY 29 H GLY 29 0.232 12.526 -13.734
155 HA2 GLY 29 1HA GLY 29 0.639 13.338 -15.951
156 HA3 GLY 29 2HA GLY 29 1.703 11.966 -16.219
157 HA PRO 30 HA PRO 30 -2.558 11.072 -17.772
158 HB2 PRO 30 1HB PRO 30 -2.320 11.584 -20.446
159 HB3 PRO 30 2HB PRO 30 -3.030 12.717 -19.313
160 HG2 PRO 30 1HG PRO 30 -0.369 12.803 -20.599
161 HG3 PRO 30 2HG PRO 30 -1.254 14.099 -19.820
162 HD2 PRO 30 1HD PRO 30 0.966 12.643 -18.735
163 HD3 PRO 30 2HD PRO 30 0.007 13.859 -17.913
164 H LYS 31 H LYS 31 0.563 10.345 -18.626
165 HA LYS 31 HA LYS 31 -0.080 7.965 -20.123
166 HB2 LYS 31 1HB LYS 31 1.981 9.368 -20.494
167 HB3 LYS 31 2HB LYS 31 2.591 8.762 -18.959
168 HG2 LYS 31 1HG LYS 31 3.376 6.951 -19.954
169 HG3 LYS 31 2HG LYS 31 1.767 6.552 -20.560
170 HD2 LYS 31 1HD LYS 31 3.175 8.712 -21.989
171 HD3 LYS 31 2HD LYS 31 3.883 7.103 -22.145
172 HE2 LYS 31 1HE LYS 31 2.366 6.665 -23.709
173 HE3 LYS 31 2HE LYS 31 1.130 6.739 -22.454
174 HZ1 LYS 31 3HZ LYS 31 1.475 9.329 -22.994
175 HZ2 LYS 31 1HZ LYS 31 0.312 8.360 -23.749
176 HZ3 LYS 31 2HZ LYS 31 1.788 8.663 -24.517
177 H TYR 32 H TYR 32 -0.105 8.744 -16.891
178 HA TYR 32 HA TYR 32 0.374 5.943 -16.109
179 HB2 TYR 32 1HB TYR 32 0.866 8.500 -14.587
180 HB3 TYR 32 2HB TYR 32 0.804 6.929 -13.797
181 HD1 TYR 32 HD2 TYR 32 2.468 8.489 -16.766
182 HD2 TYR 32 HD1 TYR 32 2.826 5.904 -13.405
183 HE1 TYR 32 HE2 TYR 32 4.843 8.133 -17.299
184 HE2 TYR 32 HE1 TYR 32 5.202 5.542 -13.929
185 HH TYR 32 HH TYR 32 6.714 7.077 -16.754
186 H CYS 33 H CYS 33 -1.703 8.744 -15.843
187 HA CYS 33 HA CYS 33 -3.582 7.290 -14.141
188 HB2 CYS 33 1HB CYS 33 -3.279 10.157 -14.966
189 HB3 CYS 33 2HB CYS 33 -4.833 9.579 -14.373
190 H ALA 34 H ALA 34 -3.177 8.420 -17.409
191 HA ALA 34 HA ALA 34 -4.495 8.299 -19.275
192 HB1 ALA 34 1HB ALA 34 -3.898 6.001 -19.146
193 HB2 ALA 34 2HB ALA 34 -5.113 5.690 -17.905
194 HB3 ALA 34 3HB ALA 34 -5.613 6.071 -19.553
195 H HIS 35 H HIS 35 -5.700 10.086 -17.862
196 HA HIS 35 HA HIS 35 -7.668 11.106 -17.344
197 HB2 HIS 35 1HB HIS 35 -8.036 10.271 -19.764
198 HB3 HIS 35 2HB HIS 35 -9.070 9.048 -19.031
199 HD1 HIS 35 HD1 HIS 35 -10.737 10.554 -20.727
200 HD2 HIS 35 HD2 HIS 35 -9.649 12.154 -17.050
201 HE1 HIS 35 HE1 HIS 35 -12.444 12.334 -20.237
202 HE2 HIS 35 HE2 HIS 35 -11.716 13.346 -18.048
Start of MODEL 15
1 H1 SER 1 H SER 1 1.593 0.520 0.766
2 HA SER 1 HA SER 1 1.677 -0.807 -1.803
3 HB2 SER 1 1HB SER 1 1.713 1.011 -3.193
4 HB3 SER 1 2HB SER 1 0.685 1.682 -1.927
5 HG SER 1 HG SER 1 2.166 3.125 -1.626
6 H GLY 2 H GLY 2 3.702 -1.439 -2.312
7 HA2 GLY 2 1HA GLY 2 5.748 -1.424 -0.446
8 HA3 GLY 2 2HA GLY 2 5.976 -1.723 -2.163
9 HA PRO 3 HA PRO 3 7.794 2.183 -0.559
10 HB2 PRO 3 1HB PRO 3 10.486 1.649 -0.594
11 HB3 PRO 3 2HB PRO 3 9.439 1.419 0.847
12 HG2 PRO 3 1HG PRO 3 10.444 -0.613 -1.144
13 HG3 PRO 3 2HG PRO 3 10.087 -0.803 0.605
14 HD2 PRO 3 1HD PRO 3 8.406 -1.673 -1.448
15 HD3 PRO 3 2HD PRO 3 7.852 -1.286 0.216
16 H ASN 4 H ASN 4 8.212 0.403 -3.277
17 HA ASN 4 HA ASN 4 9.541 2.564 -4.737
18 HB2 ASN 4 1HB ASN 4 8.823 -0.240 -5.623
19 HB3 ASN 4 2HB ASN 4 9.731 0.932 -6.574
20 HD21 ASN 4 2HD2 ASN 4 9.773 -1.079 -3.714
21 HD22 ASN 4 1HD2 ASN 4 11.490 -1.104 -3.523
22 H GLY 5 H GLY 5 6.486 1.810 -3.880
23 HA2 GLY 5 1HA GLY 5 4.552 2.915 -4.603
24 HA3 GLY 5 2HA GLY 5 5.383 3.352 -6.089
25 H GLN 6 H GLN 6 5.390 0.066 -4.946
26 HA GLN 6 HA GLN 6 4.308 -0.910 -7.377
27 HB2 GLN 6 1HB GLN 6 4.654 -2.341 -4.736
28 HB3 GLN 6 2HB GLN 6 4.374 -3.109 -6.293
29 HG2 GLN 6 1HG GLN 6 6.596 -3.307 -6.345
30 HG3 GLN 6 2HG GLN 6 6.564 -1.617 -6.844
31 HE21 GLN 6 2HE2 GLN 6 8.005 -3.713 -4.817
32 HE22 GLN 6 1HE2 GLN 6 8.493 -2.635 -3.559
33 H CYS 7 H CYS 7 2.273 -1.317 -7.970
34 HA CYS 7 HA CYS 7 0.178 -1.210 -5.899
35 HB2 CYS 7 1HB CYS 7 -1.293 -0.303 -7.783
36 HB3 CYS 7 2HB CYS 7 -0.084 0.793 -7.121
37 H GLY 8 H GLY 8 -1.576 -2.608 -6.114
38 HA2 GLY 8 1HA GLY 8 -2.766 -4.152 -7.694
39 HA3 GLY 8 2HA GLY 8 -1.169 -4.775 -8.082
40 HA PRO 9 HA PRO 9 -3.424 -7.231 -5.224
41 HB2 PRO 9 1HB PRO 9 -2.202 -9.616 -6.390
42 HB3 PRO 9 2HB PRO 9 -3.945 -9.199 -6.284
43 HG2 PRO 9 1HG PRO 9 -2.491 -9.067 -8.629
44 HG3 PRO 9 2HG PRO 9 -3.918 -8.028 -8.292
45 HD2 PRO 9 1HD PRO 9 -0.990 -7.334 -8.257
46 HD3 PRO 9 2HD PRO 9 -2.413 -6.284 -8.573
47 H GLY 10 H GLY 10 -2.233 -6.352 -3.502
48 HA2 GLY 10 1HA GLY 10 -1.581 -7.808 -1.493
49 HA3 GLY 10 2HA GLY 10 -0.189 -8.216 -2.486
50 H TRP 11 H TRP 11 -0.599 -5.215 -3.411
51 HA TRP 11 HA TRP 11 1.002 -4.104 -1.200
52 HB2 TRP 11 1HB TRP 11 1.092 -3.176 -4.071
53 HB3 TRP 11 2HB TRP 11 2.222 -2.794 -2.775
54 HD1 TRP 11 HD1 TRP 11 1.405 -5.479 -5.340
55 HE1 TRP 11 HE1 TRP 11 3.313 -7.205 -5.382
56 HE3 TRP 11 HE3 TRP 11 4.039 -3.875 -1.262
57 HZ2 TRP 11 HZ2 TRP 11 5.629 -7.807 -3.885
58 HZ3 TRP 11 HZ3 TRP 11 6.090 -5.082 -0.634
59 HH2 TRP 11 HH2 TRP 11 6.866 -7.007 -1.919
60 H GLY 12 H GLY 12 -1.617 -3.542 -3.463
61 HA2 GLY 12 1HA GLY 12 -3.512 -2.240 -2.643
62 HA3 GLY 12 2HA GLY 12 -2.354 -1.159 -1.882
63 H GLY 13 H GLY 13 -3.724 0.443 -3.070
64 HA2 GLY 13 1HA GLY 13 -3.056 0.606 -5.928
65 HA3 GLY 13 2HA GLY 13 -4.341 1.495 -5.124
66 H CYS 14 H CYS 14 -3.375 3.319 -6.315
67 HA CYS 14 HA CYS 14 -0.932 4.349 -5.047
68 HB2 CYS 14 1HB CYS 14 -2.290 5.228 -7.604
69 HB3 CYS 14 2HB CYS 14 -0.781 5.875 -6.968
70 H ARG 15 H ARG 15 -0.868 6.732 -4.697
71 HA ARG 15 HA ARG 15 -3.080 7.529 -3.093
72 HB2 ARG 15 1HB ARG 15 -0.506 8.147 -2.980
73 HB3 ARG 15 2HB ARG 15 -1.021 9.499 -3.981
74 HG2 ARG 15 1HG ARG 15 -2.366 10.389 -2.308
75 HG3 ARG 15 2HG ARG 15 -2.430 8.865 -1.418
76 HD2 ARG 15 1HD ARG 15 -0.128 9.091 -0.763
77 HD3 ARG 15 2HD ARG 15 0.066 10.514 -1.787
78 HE ARG 15 HE ARG 15 -1.997 10.940 0.095
79 HH11 ARG 15 1HH1 ARG 15 1.468 10.721 -0.156
80 HH12 ARG 15 2HH1 ARG 15 1.762 11.759 1.200
81 HH21 ARG 15 1HH2 ARG 15 -1.623 12.307 1.882
82 HH22 ARG 15 2HH2 ARG 15 0.003 12.660 2.359
83 H GLY 16 H GLY 16 -3.936 9.876 -3.364
84 HA2 GLY 16 1HA GLY 16 -5.593 9.963 -5.595
85 HA3 GLY 16 2HA GLY 16 -5.235 11.339 -4.563
86 H GLY 17 H GLY 17 -2.489 11.596 -5.062
87 HA2 GLY 17 1HA GLY 17 -2.615 12.837 -7.687
88 HA3 GLY 17 2HA GLY 17 -1.331 13.027 -6.502
89 H LEU 18 H LEU 18 -2.125 9.787 -6.937
90 HA LEU 18 HA LEU 18 -0.040 9.439 -8.983
91 HB2 LEU 18 1HB LEU 18 -0.371 7.851 -6.443
92 HB3 LEU 18 2HB LEU 18 0.739 7.442 -7.749
93 HG LEU 18 HG LEU 18 0.886 9.982 -6.130
94 HD11 LEU 18 1HD1 LEU 18 2.873 7.794 -5.850
95 HD12 LEU 18 2HD1 LEU 18 1.325 7.622 -5.024
96 HD13 LEU 18 3HD1 LEU 18 2.354 9.013 -4.685
97 HD21 LEU 18 3HD2 LEU 18 1.881 10.219 -8.310
98 HD22 LEU 18 1HD2 LEU 18 2.759 8.702 -8.116
99 HD23 LEU 18 2HD2 LEU 18 3.162 10.089 -7.104
100 H CYS 19 H CYS 19 -0.120 7.335 -10.076
101 HA CYS 19 HA CYS 19 -2.656 5.908 -9.905
102 HB2 CYS 19 1HB CYS 19 -1.681 7.309 -12.398
103 HB3 CYS 19 2HB CYS 19 -2.918 6.056 -12.411
104 H CYS 20 H CYS 20 -2.614 3.827 -10.843
105 HA CYS 20 HA CYS 20 -0.079 2.546 -10.725
106 HB2 CYS 20 1HB CYS 20 -2.498 1.626 -10.256
107 HB3 CYS 20 2HB CYS 20 -2.465 1.236 -11.973
108 H SER 21 H SER 21 1.412 2.534 -12.259
109 HA SER 21 HA SER 21 0.780 3.278 -14.969
110 HB2 SER 21 1HB SER 21 3.109 3.382 -15.334
111 HB3 SER 21 2HB SER 21 2.907 3.894 -13.658
112 HG SER 21 HG SER 21 4.130 2.289 -13.116
113 H GLN 22 H GLN 22 1.959 1.923 -16.743
114 HA GLN 22 HA GLN 22 0.648 -0.588 -16.858
115 HB2 GLN 22 1HB GLN 22 1.942 -0.875 -18.986
116 HB3 GLN 22 2HB GLN 22 1.000 0.608 -18.898
117 HG2 GLN 22 1HG GLN 22 3.588 1.146 -17.868
118 HG3 GLN 22 2HG GLN 22 3.767 0.294 -19.401
119 HE21 GLN 22 2HE2 GLN 22 1.682 1.177 -20.856
120 HE22 GLN 22 1HE2 GLN 22 1.799 2.880 -21.116
121 H TYR 23 H TYR 23 3.512 0.358 -15.389
122 HA TYR 23 HA TYR 23 4.667 -2.339 -15.571
123 HB2 TYR 23 1HB TYR 23 5.821 0.370 -15.083
124 HB3 TYR 23 2HB TYR 23 6.624 -1.020 -14.362
125 HD1 TYR 23 HD2 TYR 23 4.927 -0.704 -17.665
126 HD2 TYR 23 HD1 TYR 23 8.589 -1.293 -15.580
127 HE1 TYR 23 HE2 TYR 23 6.065 -1.147 -19.800
128 HE2 TYR 23 HE1 TYR 23 9.737 -1.737 -17.709
129 HH TYR 23 HH TYR 23 8.353 -1.053 -20.721
130 H GLY 24 H GLY 24 2.481 -0.968 -13.750
131 HA2 GLY 24 1HA GLY 24 1.663 -1.539 -11.668
132 HA3 GLY 24 2HA GLY 24 3.043 -2.608 -11.468
133 H TYR 25 H TYR 25 3.873 0.579 -12.311
134 HA TYR 25 HA TYR 25 4.658 1.102 -9.524
135 HB2 TYR 25 1HB TYR 25 5.827 2.205 -12.088
136 HB3 TYR 25 2HB TYR 25 6.392 2.579 -10.463
137 HD1 TYR 25 HD1 TYR 25 6.354 -0.072 -9.188
138 HD2 TYR 25 HD2 TYR 25 7.592 1.069 -13.095
139 HE1 TYR 25 HE1 TYR 25 7.869 -2.008 -9.267
140 HE2 TYR 25 HE2 TYR 25 9.109 -0.865 -13.185
141 HH TYR 25 HH TYR 25 9.233 -3.228 -10.549
142 H CYS 26 H CYS 26 3.882 2.827 -8.480
143 HA CYS 26 HA CYS 26 1.752 4.338 -9.584
144 HB2 CYS 26 1HB CYS 26 3.335 4.578 -7.029
145 HB3 CYS 26 2HB CYS 26 2.039 5.698 -7.437
146 H GLY 27 H GLY 27 1.690 6.331 -10.479
147 HA2 GLY 27 1HA GLY 27 3.884 8.180 -10.251
148 HA3 GLY 27 2HA GLY 27 3.776 7.433 -11.838
149 H SER 28 H SER 28 3.554 10.132 -11.643
150 HA SER 28 HA SER 28 0.678 10.705 -11.796
151 HB2 SER 28 1HB SER 28 1.762 13.145 -11.996
152 HB3 SER 28 2HB SER 28 1.478 12.368 -10.438
153 HG SER 28 HG SER 28 3.915 12.238 -11.889
154 H GLY 29 H GLY 29 0.156 12.468 -13.489
155 HA2 GLY 29 1HA GLY 29 0.589 13.368 -15.666
156 HA3 GLY 29 2HA GLY 29 1.684 12.026 -15.963
157 HA PRO 30 HA PRO 30 -2.524 11.115 -17.641
158 HB2 PRO 30 1HB PRO 30 -2.233 11.720 -20.290
159 HB3 PRO 30 2HB PRO 30 -2.987 12.803 -19.137
160 HG2 PRO 30 1HG PRO 30 -0.300 12.974 -20.356
161 HG3 PRO 30 2HG PRO 30 -1.224 14.229 -19.555
162 HD2 PRO 30 1HD PRO 30 0.995 12.772 -18.467
163 HD3 PRO 30 2HD PRO 30 -0.002 13.945 -17.628
164 H LYS 31 H LYS 31 0.627 10.468 -18.453
165 HA LYS 31 HA LYS 31 0.061 8.132 -20.043
166 HB2 LYS 31 1HB LYS 31 2.646 9.112 -18.819
167 HB3 LYS 31 2HB LYS 31 2.508 7.775 -19.953
168 HG2 LYS 31 1HG LYS 31 2.775 9.221 -21.604
169 HG3 LYS 31 2HG LYS 31 1.221 9.939 -21.174
170 HD2 LYS 31 1HD LYS 31 2.900 11.666 -21.222
171 HD3 LYS 31 2HD LYS 31 2.397 11.399 -19.551
172 HE2 LYS 31 1HE LYS 31 4.419 10.603 -18.933
173 HE3 LYS 31 2HE LYS 31 4.685 9.786 -20.472
174 HZ1 LYS 31 3HZ LYS 31 5.144 11.993 -21.453
175 HZ2 LYS 31 1HZ LYS 31 6.256 11.551 -20.256
176 HZ3 LYS 31 2HZ LYS 31 5.043 12.678 -19.910
177 H TYR 32 H TYR 32 -0.055 8.796 -16.786
178 HA TYR 32 HA TYR 32 0.444 5.975 -16.091
179 HB2 TYR 32 1HB TYR 32 0.855 8.481 -14.462
180 HB3 TYR 32 2HB TYR 32 0.809 6.877 -13.739
181 HD1 TYR 32 HD1 TYR 32 2.505 8.602 -16.596
182 HD2 TYR 32 HD2 TYR 32 2.840 5.866 -13.355
183 HE1 TYR 32 HE1 TYR 32 4.898 8.318 -17.091
184 HE2 TYR 32 HE2 TYR 32 5.234 5.575 -13.841
185 HH TYR 32 HH TYR 32 6.728 7.053 -16.669
186 H CYS 33 H CYS 33 -1.678 8.738 -15.779
187 HA CYS 33 HA CYS 33 -3.568 7.227 -14.148
188 HB2 CYS 33 1HB CYS 33 -3.348 10.100 -14.992
189 HB3 CYS 33 2HB CYS 33 -4.876 9.469 -14.386
190 H ALA 34 H ALA 34 -3.135 8.397 -17.405
191 HA ALA 34 HA ALA 34 -4.412 8.242 -19.296
192 HB1 ALA 34 1HB ALA 34 -4.938 6.069 -19.886
193 HB2 ALA 34 2HB ALA 34 -3.725 5.832 -18.627
194 HB3 ALA 34 3HB ALA 34 -5.437 5.635 -18.251
195 H HIS 35 H HIS 35 -5.688 9.764 -17.350
196 HA HIS 35 HA HIS 35 -7.711 10.608 -16.729
197 HB2 HIS 35 1HB HIS 35 -7.845 10.743 -19.238
198 HB3 HIS 35 2HB HIS 35 -8.733 9.223 -19.213
199 HD1 HIS 35 HD1 HIS 35 -9.237 12.157 -16.869
200 HD2 HIS 35 HD2 HIS 35 -11.225 10.107 -19.886
201 HE1 HIS 35 HE1 HIS 35 -11.561 13.116 -16.915
202 HE2 HIS 35 HE2 HIS 35 -12.771 11.802 -18.690
Start of MODEL 16
1 H1 SER 1 H SER 1 0.837 1.105 0.147
2 HA SER 1 HA SER 1 1.545 -0.862 -1.902
3 HB2 SER 1 1HB SER 1 2.492 1.569 -2.794
4 HB3 SER 1 2HB SER 1 0.925 0.872 -3.204
5 HG SER 1 HG SER 1 1.444 3.089 -1.818
6 H GLY 2 H GLY 2 3.631 -1.376 -2.435
7 HA2 GLY 2 1HA GLY 2 5.592 -1.335 -0.461
8 HA3 GLY 2 2HA GLY 2 5.894 -1.644 -2.165
9 HA PRO 3 HA PRO 3 7.610 2.288 -0.535
10 HB2 PRO 3 1HB PRO 3 10.311 1.797 -0.543
11 HB3 PRO 3 2HB PRO 3 9.251 1.540 0.885
12 HG2 PRO 3 1HG PRO 3 10.311 -0.461 -1.110
13 HG3 PRO 3 2HG PRO 3 9.937 -0.670 0.634
14 HD2 PRO 3 1HD PRO 3 8.293 -1.551 -1.445
15 HD3 PRO 3 2HD PRO 3 7.714 -1.185 0.215
16 H ASN 4 H ASN 4 8.087 0.535 -3.261
17 HA ASN 4 HA ASN 4 9.377 2.744 -4.689
18 HB2 ASN 4 1HB ASN 4 9.097 -0.182 -5.166
19 HB3 ASN 4 2HB ASN 4 9.202 0.864 -6.579
20 HD21 ASN 4 2HD2 ASN 4 10.829 -0.150 -3.649
21 HD22 ASN 4 1HD2 ASN 4 12.420 0.299 -4.151
22 H GLY 5 H GLY 5 6.343 1.905 -3.879
23 HA2 GLY 5 1HA GLY 5 4.383 2.930 -4.643
24 HA3 GLY 5 2HA GLY 5 5.222 3.384 -6.119
25 H GLN 6 H GLN 6 5.340 0.109 -4.964
26 HA GLN 6 HA GLN 6 4.335 -0.925 -7.397
27 HB2 GLN 6 1HB GLN 6 4.701 -2.288 -4.724
28 HB3 GLN 6 2HB GLN 6 4.404 -3.113 -6.249
29 HG2 GLN 6 1HG GLN 6 6.636 -3.294 -6.285
30 HG3 GLN 6 2HG GLN 6 6.558 -1.652 -6.920
31 HE21 GLN 6 2HE2 GLN 6 8.187 -3.490 -4.854
32 HE22 GLN 6 1HE2 GLN 6 8.633 -2.324 -3.661
33 H CYS 7 H CYS 7 2.327 -1.384 -8.039
34 HA CYS 7 HA CYS 7 0.178 -1.307 -6.022
35 HB2 CYS 7 1HB CYS 7 -1.274 -0.485 -7.948
36 HB3 CYS 7 2HB CYS 7 -0.093 0.657 -7.315
37 H GLY 8 H GLY 8 -1.536 -2.757 -6.254
38 HA2 GLY 8 1HA GLY 8 -2.628 -4.378 -7.831
39 HA3 GLY 8 2HA GLY 8 -1.002 -4.970 -8.138
40 HA PRO 9 HA PRO 9 -3.301 -7.396 -5.291
41 HB2 PRO 9 1HB PRO 9 -1.971 -9.783 -6.331
42 HB3 PRO 9 2HB PRO 9 -3.728 -9.410 -6.306
43 HG2 PRO 9 1HG PRO 9 -2.187 -9.312 -8.596
44 HG3 PRO 9 2HG PRO 9 -3.652 -8.302 -8.348
45 HD2 PRO 9 1HD PRO 9 -0.748 -7.527 -8.223
46 HD3 PRO 9 2HD PRO 9 -2.184 -6.527 -8.628
47 H GLY 10 H GLY 10 -2.198 -6.429 -3.556
48 HA2 GLY 10 1HA GLY 10 -1.588 -7.804 -1.476
49 HA3 GLY 10 2HA GLY 10 -0.148 -8.203 -2.401
50 H TRP 11 H TRP 11 -0.604 -5.244 -3.437
51 HA TRP 11 HA TRP 11 0.875 -4.019 -1.202
52 HB2 TRP 11 1HB TRP 11 1.066 -3.190 -4.098
53 HB3 TRP 11 2HB TRP 11 2.125 -2.727 -2.770
54 HD1 TRP 11 HD1 TRP 11 1.477 -5.554 -5.237
55 HE1 TRP 11 HE1 TRP 11 3.444 -7.211 -5.141
56 HE3 TRP 11 HE3 TRP 11 3.937 -3.659 -1.176
57 HZ2 TRP 11 HZ2 TRP 11 5.735 -7.656 -3.553
58 HZ3 TRP 11 HZ3 TRP 11 6.008 -4.759 -0.432
59 HH2 TRP 11 HH2 TRP 11 6.887 -6.716 -1.597
60 H GLY 12 H GLY 12 -1.657 -3.604 -3.592
61 HA2 GLY 12 1HA GLY 12 -3.619 -2.329 -2.920
62 HA3 GLY 12 2HA GLY 12 -2.535 -1.204 -2.115
63 H GLY 13 H GLY 13 -3.804 0.383 -3.378
64 HA2 GLY 13 1HA GLY 13 -2.912 0.527 -6.187
65 HA3 GLY 13 2HA GLY 13 -4.362 1.294 -5.555
66 H CYS 14 H CYS 14 -3.413 3.181 -6.683
67 HA CYS 14 HA CYS 14 -1.323 4.486 -5.071
68 HB2 CYS 14 1HB CYS 14 -2.182 5.243 -7.866
69 HB3 CYS 14 2HB CYS 14 -0.758 5.802 -6.994
70 H ARG 15 H ARG 15 -1.526 6.889 -4.923
71 HA ARG 15 HA ARG 15 -4.128 8.059 -5.228
72 HB2 ARG 15 1HB ARG 15 -4.563 8.484 -2.874
73 HB3 ARG 15 2HB ARG 15 -4.454 6.753 -3.163
74 HG2 ARG 15 1HG ARG 15 -2.294 6.640 -2.184
75 HG3 ARG 15 2HG ARG 15 -2.163 8.399 -2.126
76 HD2 ARG 15 1HD ARG 15 -4.541 7.593 -0.766
77 HD3 ARG 15 2HD ARG 15 -3.184 6.648 -0.155
78 HE ARG 15 HE ARG 15 -2.371 9.307 -0.258
79 HH11 ARG 15 1HH1 ARG 15 -4.713 7.356 1.424
80 HH12 ARG 15 2HH1 ARG 15 -4.715 8.350 2.843
81 HH21 ARG 15 1HH2 ARG 15 -2.364 10.623 1.605
82 HH22 ARG 15 2HH2 ARG 15 -3.379 10.209 2.945
83 H GLY 16 H GLY 16 -4.043 10.244 -3.737
84 HA2 GLY 16 1HA GLY 16 -3.120 12.343 -3.636
85 HA3 GLY 16 2HA GLY 16 -1.613 11.515 -3.275
86 H GLY 17 H GLY 17 -3.598 11.561 -6.228
87 HA2 GLY 17 1HA GLY 17 -3.119 12.543 -8.287
88 HA3 GLY 17 2HA GLY 17 -1.605 13.139 -7.622
89 H LEU 18 H LEU 18 -1.540 10.046 -6.742
90 HA LEU 18 HA LEU 18 0.128 9.307 -9.009
91 HB2 LEU 18 1HB LEU 18 -0.372 7.813 -6.440
92 HB3 LEU 18 2HB LEU 18 0.886 7.475 -7.627
93 HG LEU 18 HG LEU 18 0.705 9.851 -5.781
94 HD11 LEU 18 1HD1 LEU 18 2.288 8.866 -4.523
95 HD12 LEU 18 2HD1 LEU 18 3.100 8.147 -5.913
96 HD13 LEU 18 3HD1 LEU 18 1.657 7.385 -5.245
97 HD21 LEU 18 3HD2 LEU 18 1.504 10.578 -7.963
98 HD22 LEU 18 1HD2 LEU 18 2.701 9.283 -7.971
99 HD23 LEU 18 2HD2 LEU 18 2.816 10.582 -6.784
100 H CYS 19 H CYS 19 -0.066 7.245 -10.061
101 HA CYS 19 HA CYS 19 -2.600 5.839 -9.783
102 HB2 CYS 19 1HB CYS 19 -1.734 7.258 -12.301
103 HB3 CYS 19 2HB CYS 19 -2.913 5.951 -12.308
104 H CYS 20 H CYS 20 -2.613 3.758 -10.758
105 HA CYS 20 HA CYS 20 -0.094 2.447 -10.681
106 HB2 CYS 20 1HB CYS 20 -2.449 1.509 -10.144
107 HB3 CYS 20 2HB CYS 20 -2.572 1.237 -11.879
108 H SER 21 H SER 21 1.387 2.506 -12.225
109 HA SER 21 HA SER 21 0.716 3.231 -14.931
110 HB2 SER 21 1HB SER 21 3.038 3.392 -15.314
111 HB3 SER 21 2HB SER 21 2.838 3.899 -13.637
112 HG SER 21 HG SER 21 4.116 2.331 -13.114
113 H GLN 22 H GLN 22 1.909 1.904 -16.715
114 HA GLN 22 HA GLN 22 0.659 -0.639 -16.815
115 HB2 GLN 22 1HB GLN 22 1.713 -0.880 -18.982
116 HB3 GLN 22 2HB GLN 22 1.089 0.755 -18.812
117 HG2 GLN 22 1HG GLN 22 3.256 1.643 -18.467
118 HG3 GLN 22 2HG GLN 22 3.956 0.035 -18.284
119 HE21 GLN 22 2HE2 GLN 22 4.399 2.349 -20.181
120 HE22 GLN 22 1HE2 GLN 22 4.354 1.622 -21.748
121 H TYR 23 H TYR 23 3.512 0.377 -15.371
122 HA TYR 23 HA TYR 23 4.722 -2.297 -15.551
123 HB2 TYR 23 1HB TYR 23 5.953 0.314 -14.643
124 HB3 TYR 23 2HB TYR 23 6.792 -1.230 -14.754
125 HD1 TYR 23 HD1 TYR 23 6.448 -2.374 -17.202
126 HD2 TYR 23 HD2 TYR 23 6.362 1.795 -16.353
127 HE1 TYR 23 HE1 TYR 23 7.034 -1.892 -19.541
128 HE2 TYR 23 HE2 TYR 23 6.947 2.288 -18.690
129 HH TYR 23 HH TYR 23 7.897 -0.210 -20.914
130 H GLY 24 H GLY 24 2.521 -0.992 -13.723
131 HA2 GLY 24 1HA GLY 24 1.748 -1.537 -11.620
132 HA3 GLY 24 2HA GLY 24 3.145 -2.588 -11.434
133 H TYR 25 H TYR 25 3.899 0.617 -12.304
134 HA TYR 25 HA TYR 25 4.736 1.158 -9.536
135 HB2 TYR 25 1HB TYR 25 5.820 2.373 -12.085
136 HB3 TYR 25 2HB TYR 25 6.463 2.593 -10.461
137 HD1 TYR 25 HD1 TYR 25 6.638 -0.016 -9.326
138 HD2 TYR 25 HD2 TYR 25 7.307 1.158 -13.361
139 HE1 TYR 25 HE1 TYR 25 8.110 -1.961 -9.642
140 HE2 TYR 25 HE2 TYR 25 8.780 -0.785 -13.688
141 HH TYR 25 HH TYR 25 9.937 -2.419 -12.613
142 H CYS 26 H CYS 26 3.958 2.877 -8.479
143 HA CYS 26 HA CYS 26 1.777 4.346 -9.546
144 HB2 CYS 26 1HB CYS 26 3.383 4.567 -7.008
145 HB3 CYS 26 2HB CYS 26 2.105 5.716 -7.393
146 H GLY 27 H GLY 27 1.697 6.274 -10.538
147 HA2 GLY 27 1HA GLY 27 3.920 8.137 -10.337
148 HA3 GLY 27 2HA GLY 27 3.656 7.447 -11.931
149 H SER 28 H SER 28 3.511 10.167 -11.525
150 HA SER 28 HA SER 28 0.634 10.763 -11.505
151 HB2 SER 28 1HB SER 28 1.726 13.208 -11.544
152 HB3 SER 28 2HB SER 28 1.494 12.306 -10.047
153 HG SER 28 HG SER 28 3.582 12.121 -9.845
154 H GLY 29 H GLY 29 -0.270 12.108 -13.145
155 HA2 GLY 29 1HA GLY 29 0.100 13.355 -15.232
156 HA3 GLY 29 2HA GLY 29 1.301 12.141 -15.648
157 HA PRO 30 HA PRO 30 -2.851 10.957 -17.285
158 HB2 PRO 30 1HB PRO 30 -2.664 11.712 -19.905
159 HB3 PRO 30 2HB PRO 30 -3.478 12.673 -18.687
160 HG2 PRO 30 1HG PRO 30 -0.838 13.120 -19.940
161 HG3 PRO 30 2HG PRO 30 -1.843 14.256 -19.062
162 HD2 PRO 30 1HD PRO 30 0.506 12.933 -18.085
163 HD3 PRO 30 2HD PRO 30 -0.564 13.978 -17.172
164 H LYS 31 H LYS 31 0.325 10.592 -18.144
165 HA LYS 31 HA LYS 31 -0.042 8.345 -19.895
166 HB2 LYS 31 1HB LYS 31 1.948 10.002 -19.794
167 HB3 LYS 31 2HB LYS 31 2.521 8.997 -18.469
168 HG2 LYS 31 1HG LYS 31 3.619 8.073 -20.256
169 HG3 LYS 31 2HG LYS 31 2.184 7.049 -20.164
170 HD2 LYS 31 1HD LYS 31 2.355 7.564 -22.434
171 HD3 LYS 31 2HD LYS 31 1.148 8.705 -21.836
172 HE2 LYS 31 1HE LYS 31 3.715 9.879 -21.512
173 HE3 LYS 31 2HE LYS 31 3.609 9.244 -23.153
174 HZ1 LYS 31 3HZ LYS 31 2.242 10.876 -23.726
175 HZ2 LYS 31 1HZ LYS 31 2.558 11.609 -22.235
176 HZ3 LYS 31 2HZ LYS 31 1.218 10.593 -22.410
177 H TYR 32 H TYR 32 -0.259 8.756 -16.583
178 HA TYR 32 HA TYR 32 0.287 5.897 -16.116
179 HB2 TYR 32 1HB TYR 32 0.681 8.263 -14.285
180 HB3 TYR 32 2HB TYR 32 0.657 6.603 -13.700
181 HD1 TYR 32 HD1 TYR 32 2.129 5.238 -15.891
182 HD2 TYR 32 HD2 TYR 32 2.892 8.934 -13.926
183 HE1 TYR 32 HE1 TYR 32 4.521 5.016 -16.416
184 HE2 TYR 32 HE2 TYR 32 5.286 8.723 -14.447
185 HH TYR 32 HH TYR 32 6.504 6.105 -16.469
186 H CYS 33 H CYS 33 -1.859 8.605 -15.585
187 HA CYS 33 HA CYS 33 -3.705 7.032 -13.991
188 HB2 CYS 33 1HB CYS 33 -3.603 9.887 -14.908
189 HB3 CYS 33 2HB CYS 33 -5.108 9.211 -14.294
190 H ALA 34 H ALA 34 -3.310 8.093 -17.283
191 HA ALA 34 HA ALA 34 -5.511 6.375 -18.093
192 HB1 ALA 34 1HB ALA 34 -6.372 8.234 -19.616
193 HB2 ALA 34 2HB ALA 34 -6.767 8.343 -17.900
194 HB3 ALA 34 3HB ALA 34 -5.475 9.338 -18.572
195 H HIS 35 H HIS 35 -3.523 5.247 -18.798
196 HA HIS 35 HA HIS 35 -2.017 4.595 -20.378
197 HB2 HIS 35 1HB HIS 35 -4.042 6.058 -22.070
198 HB3 HIS 35 2HB HIS 35 -2.684 5.180 -22.766
199 HD1 HIS 35 HD1 HIS 35 -5.872 4.624 -20.847
200 HD2 HIS 35 HD2 HIS 35 -2.975 2.432 -22.863
201 HE1 HIS 35 HE1 HIS 35 -6.794 2.291 -21.022
202 HE2 HIS 35 HE2 HIS 35 -4.987 0.963 -22.169
Start of MODEL 17
1 H1 SER 1 H SER 1 1.184 0.126 0.619
2 HA SER 1 HA SER 1 1.612 -0.691 -1.933
3 HB2 SER 1 1HB SER 1 2.702 1.278 -3.034
4 HB3 SER 1 2HB SER 1 0.964 1.467 -2.803
5 HG SER 1 HG SER 1 2.722 3.168 -2.083
6 H GLY 2 H GLY 2 3.871 -0.971 -2.489
7 HA2 GLY 2 1HA GLY 2 5.490 -1.340 -0.151
8 HA3 GLY 2 2HA GLY 2 5.950 -1.708 -1.806
9 HA PRO 3 HA PRO 3 7.914 2.021 -0.006
10 HB2 PRO 3 1HB PRO 3 10.532 1.232 0.243
11 HB3 PRO 3 2HB PRO 3 9.317 1.099 1.559
12 HG2 PRO 3 1HG PRO 3 10.335 -1.013 -0.340
13 HG3 PRO 3 2HG PRO 3 9.774 -1.174 1.358
14 HD2 PRO 3 1HD PRO 3 8.251 -1.873 -0.877
15 HD3 PRO 3 2HD PRO 3 7.558 -1.440 0.723
16 H ASN 4 H ASN 4 8.454 0.219 -2.687
17 HA ASN 4 HA ASN 4 10.127 2.253 -3.965
18 HB2 ASN 4 1HB ASN 4 9.528 -0.613 -4.498
19 HB3 ASN 4 2HB ASN 4 9.879 0.410 -5.888
20 HD21 ASN 4 2HD2 ASN 4 11.116 -0.785 -2.837
21 HD22 ASN 4 1HD2 ASN 4 12.787 -0.539 -3.201
22 H GLY 5 H GLY 5 6.943 1.780 -3.456
23 HA2 GLY 5 1HA GLY 5 5.211 3.061 -4.377
24 HA3 GLY 5 2HA GLY 5 6.232 3.403 -5.766
25 H GLN 6 H GLN 6 5.700 0.163 -4.559
26 HA GLN 6 HA GLN 6 4.871 -0.775 -7.103
27 HB2 GLN 6 1HB GLN 6 4.672 -2.117 -4.401
28 HB3 GLN 6 2HB GLN 6 4.485 -2.918 -5.955
29 HG2 GLN 6 1HG GLN 6 6.649 -3.414 -5.669
30 HG3 GLN 6 2HG GLN 6 6.900 -1.786 -6.298
31 HE21 GLN 6 2HE2 GLN 6 7.739 -3.861 -3.908
32 HE22 GLN 6 1HE2 GLN 6 8.243 -2.732 -2.701
33 H CYS 7 H CYS 7 2.852 -1.634 -7.736
34 HA CYS 7 HA CYS 7 0.533 -1.055 -6.074
35 HB2 CYS 7 1HB CYS 7 0.699 1.018 -7.245
36 HB3 CYS 7 2HB CYS 7 1.018 0.205 -8.773
37 H GLY 8 H GLY 8 -1.193 -2.385 -6.464
38 HA2 GLY 8 1HA GLY 8 -2.385 -3.731 -8.205
39 HA3 GLY 8 2HA GLY 8 -0.804 -4.388 -8.603
40 HA PRO 9 HA PRO 9 -3.232 -7.026 -6.088
41 HB2 PRO 9 1HB PRO 9 -1.991 -9.325 -7.398
42 HB3 PRO 9 2HB PRO 9 -3.730 -8.878 -7.349
43 HG2 PRO 9 1HG PRO 9 -2.146 -8.571 -9.590
44 HG3 PRO 9 2HG PRO 9 -3.569 -7.533 -9.237
45 HD2 PRO 9 1HD PRO 9 -0.636 -6.914 -8.982
46 HD3 PRO 9 2HD PRO 9 -2.018 -5.807 -9.278
47 H GLY 10 H GLY 10 -2.092 -6.312 -4.246
48 HA2 GLY 10 1HA GLY 10 -1.585 -7.985 -2.348
49 HA3 GLY 10 2HA GLY 10 -0.134 -8.291 -3.291
50 H TRP 11 H TRP 11 -0.474 -5.221 -3.943
51 HA TRP 11 HA TRP 11 0.955 -4.333 -1.524
52 HB2 TRP 11 1HB TRP 11 1.274 -3.139 -4.277
53 HB3 TRP 11 2HB TRP 11 2.306 -2.907 -2.868
54 HD1 TRP 11 HD1 TRP 11 1.673 -5.294 -5.754
55 HE1 TRP 11 HE1 TRP 11 3.556 -7.047 -5.821
56 HE3 TRP 11 HE3 TRP 11 3.972 -4.186 -1.324
57 HZ2 TRP 11 HZ2 TRP 11 5.729 -7.854 -4.209
58 HZ3 TRP 11 HZ3 TRP 11 5.946 -5.496 -0.660
59 HH2 TRP 11 HH2 TRP 11 6.804 -7.292 -2.074
60 H GLY 12 H GLY 12 -1.471 -3.537 -3.930
61 HA2 GLY 12 1HA GLY 12 -3.419 -2.286 -3.262
62 HA3 GLY 12 2HA GLY 12 -2.402 -1.380 -2.152
63 H GLY 13 H GLY 13 -3.403 0.511 -3.143
64 HA2 GLY 13 1HA GLY 13 -2.101 1.190 -5.709
65 HA3 GLY 13 2HA GLY 13 -3.729 1.714 -5.303
66 H CYS 14 H CYS 14 -2.844 3.859 -5.796
67 HA CYS 14 HA CYS 14 -1.556 5.011 -3.415
68 HB2 CYS 14 1HB CYS 14 -0.976 5.700 -6.303
69 HB3 CYS 14 2HB CYS 14 -0.370 6.604 -4.919
70 H ARG 15 H ARG 15 -1.906 7.397 -3.251
71 HA ARG 15 HA ARG 15 -4.668 7.979 -3.395
72 HB2 ARG 15 1HB ARG 15 -2.251 9.684 -2.807
73 HB3 ARG 15 2HB ARG 15 -3.888 10.327 -2.778
74 HG2 ARG 15 1HG ARG 15 -3.580 7.889 -1.210
75 HG3 ARG 15 2HG ARG 15 -2.563 9.221 -0.656
76 HD2 ARG 15 1HD ARG 15 -4.370 10.569 -0.161
77 HD3 ARG 15 2HD ARG 15 -5.437 9.725 -1.283
78 HE ARG 15 HE ARG 15 -4.756 7.914 0.704
79 HH11 ARG 15 1HH1 ARG 15 -6.433 10.954 0.439
80 HH12 ARG 15 2HH1 ARG 15 -7.484 10.640 1.780
81 HH21 ARG 15 1HH2 ARG 15 -6.135 7.489 2.471
82 HH22 ARG 15 2HH2 ARG 15 -7.314 8.669 2.935
83 H GLY 16 H GLY 16 -5.336 10.238 -4.348
84 HA2 GLY 16 1HA GLY 16 -5.472 10.023 -7.098
85 HA3 GLY 16 2HA GLY 16 -5.730 11.520 -6.215
86 H GLY 17 H GLY 17 -3.049 11.687 -5.155
87 HA2 GLY 17 1HA GLY 17 -1.816 13.212 -7.123
88 HA3 GLY 17 2HA GLY 17 -0.996 12.543 -5.720
89 H LEU 18 H LEU 18 -1.780 9.781 -6.683
90 HA LEU 18 HA LEU 18 0.116 9.559 -8.923
91 HB2 LEU 18 1HB LEU 18 -0.020 7.823 -6.464
92 HB3 LEU 18 2HB LEU 18 0.941 7.452 -7.894
93 HG LEU 18 HG LEU 18 1.340 9.930 -6.226
94 HD11 LEU 18 1HD1 LEU 18 3.009 8.859 -5.004
95 HD12 LEU 18 2HD1 LEU 18 3.073 7.487 -6.109
96 HD13 LEU 18 3HD1 LEU 18 1.691 7.687 -5.031
97 HD21 LEU 18 3HD2 LEU 18 3.172 10.361 -7.517
98 HD22 LEU 18 1HD2 LEU 18 2.144 9.580 -8.718
99 HD23 LEU 18 2HD2 LEU 18 3.426 8.664 -7.925
100 H CYS 19 H CYS 19 -0.023 7.344 -9.973
101 HA CYS 19 HA CYS 19 -2.650 6.098 -9.780
102 HB2 CYS 19 1HB CYS 19 -1.598 7.412 -12.289
103 HB3 CYS 19 2HB CYS 19 -2.910 6.237 -12.289
104 H CYS 20 H CYS 20 -2.745 4.003 -10.656
105 HA CYS 20 HA CYS 20 -0.269 2.588 -10.596
106 HB2 CYS 20 1HB CYS 20 -2.738 1.838 -9.987
107 HB3 CYS 20 2HB CYS 20 -2.751 1.324 -11.671
108 H SER 21 H SER 21 1.128 2.452 -12.210
109 HA SER 21 HA SER 21 0.369 3.113 -14.909
110 HB2 SER 21 1HB SER 21 2.670 3.117 -15.407
111 HB3 SER 21 2HB SER 21 2.598 3.675 -13.735
112 HG SER 21 HG SER 21 3.798 2.037 -13.242
113 H GLN 22 H GLN 22 1.306 1.653 -16.706
114 HA GLN 22 HA GLN 22 -0.070 -0.826 -16.587
115 HB2 GLN 22 1HB GLN 22 1.971 0.073 -18.626
116 HB3 GLN 22 2HB GLN 22 0.775 -1.200 -18.832
117 HG2 GLN 22 1HG GLN 22 -0.964 0.631 -18.419
118 HG3 GLN 22 2HG GLN 22 0.358 1.762 -18.704
119 HE21 GLN 22 2HE2 GLN 22 0.790 2.314 -20.727
120 HE22 GLN 22 1HE2 GLN 22 0.186 1.522 -22.138
121 H TYR 23 H TYR 23 2.938 0.098 -15.439
122 HA TYR 23 HA TYR 23 4.038 -2.617 -15.663
123 HB2 TYR 23 1HB TYR 23 5.315 0.050 -15.076
124 HB3 TYR 23 2HB TYR 23 6.155 -1.472 -14.797
125 HD1 TYR 23 HD2 TYR 23 4.434 0.489 -17.453
126 HD2 TYR 23 HD1 TYR 23 7.313 -2.508 -16.540
127 HE1 TYR 23 HE2 TYR 23 5.135 0.452 -19.810
128 HE2 TYR 23 HE1 TYR 23 8.023 -2.552 -18.894
129 HH TYR 23 HH TYR 23 6.583 -1.802 -21.264
130 H GLY 24 H GLY 24 2.023 -1.196 -13.685
131 HA2 GLY 24 1HA GLY 24 1.372 -1.733 -11.536
132 HA3 GLY 24 2HA GLY 24 2.751 -2.818 -11.437
133 H TYR 25 H TYR 25 3.538 0.354 -12.383
134 HA TYR 25 HA TYR 25 4.543 0.904 -9.672
135 HB2 TYR 25 1HB TYR 25 5.551 2.016 -12.298
136 HB3 TYR 25 2HB TYR 25 6.276 2.256 -10.712
137 HD1 TYR 25 HD2 TYR 25 6.201 -0.457 -9.587
138 HD2 TYR 25 HD1 TYR 25 7.137 0.841 -13.530
139 HE1 TYR 25 HE2 TYR 25 7.586 -2.463 -9.912
140 HE2 TYR 25 HE1 TYR 25 8.523 -1.163 -13.866
141 HH TYR 25 HH TYR 25 9.830 -2.797 -12.207
142 H CYS 26 H CYS 26 3.883 2.671 -8.614
143 HA CYS 26 HA CYS 26 1.732 4.226 -9.647
144 HB2 CYS 26 1HB CYS 26 3.277 4.119 -7.106
145 HB3 CYS 26 2HB CYS 26 2.404 5.607 -7.457
146 H GLY 27 H GLY 27 1.694 6.268 -10.458
147 HA2 GLY 27 1HA GLY 27 3.939 8.043 -10.285
148 HA3 GLY 27 2HA GLY 27 3.797 7.306 -11.874
149 H SER 28 H SER 28 3.637 10.005 -11.675
150 HA SER 28 HA SER 28 0.775 10.651 -11.774
151 HB2 SER 28 1HB SER 28 1.919 13.060 -12.016
152 HB3 SER 28 2HB SER 28 1.651 12.301 -10.447
153 HG SER 28 HG SER 28 3.801 13.081 -10.707
154 H GLY 29 H GLY 29 0.224 12.374 -13.471
155 HA2 GLY 29 1HA GLY 29 0.647 13.264 -15.664
156 HA3 GLY 29 2HA GLY 29 1.689 11.884 -15.978
157 HA PRO 30 HA PRO 30 -2.601 11.101 -17.519
158 HB2 PRO 30 1HB PRO 30 -2.394 11.720 -20.172
159 HB3 PRO 30 2HB PRO 30 -3.079 12.811 -18.984
160 HG2 PRO 30 1HG PRO 30 -0.435 12.929 -20.302
161 HG3 PRO 30 2HG PRO 30 -1.299 14.199 -19.458
162 HD2 PRO 30 1HD PRO 30 0.923 12.683 -18.464
163 HD3 PRO 30 2HD PRO 30 -0.014 13.871 -17.580
164 H LYS 31 H LYS 31 0.502 10.399 -18.482
165 HA LYS 31 HA LYS 31 -0.173 8.091 -20.063
166 HB2 LYS 31 1HB LYS 31 2.409 9.216 -19.001
167 HB3 LYS 31 2HB LYS 31 2.350 7.657 -19.812
168 HG2 LYS 31 1HG LYS 31 2.202 8.588 -21.832
169 HG3 LYS 31 2HG LYS 31 1.011 9.776 -21.298
170 HD2 LYS 31 1HD LYS 31 3.006 10.923 -20.133
171 HD3 LYS 31 2HD LYS 31 4.005 9.925 -21.192
172 HE2 LYS 31 1HE LYS 31 1.821 11.290 -22.574
173 HE3 LYS 31 2HE LYS 31 2.975 12.388 -21.818
174 HZ1 LYS 31 3HZ LYS 31 4.714 11.561 -23.092
175 HZ2 LYS 31 1HZ LYS 31 3.429 11.618 -24.193
176 HZ3 LYS 31 2HZ LYS 31 3.888 10.143 -23.504
177 H TYR 32 H TYR 32 -0.175 8.716 -16.796
178 HA TYR 32 HA TYR 32 0.253 5.871 -16.155
179 HB2 TYR 32 1HB TYR 32 0.852 8.340 -14.532
180 HB3 TYR 32 2HB TYR 32 0.738 6.742 -13.803
181 HD1 TYR 32 HD2 TYR 32 2.420 8.328 -16.748
182 HD2 TYR 32 HD1 TYR 32 2.731 5.649 -13.457
183 HE1 TYR 32 HE2 TYR 32 4.772 7.902 -17.325
184 HE2 TYR 32 HE1 TYR 32 5.085 5.216 -14.025
185 HH TYR 32 HH TYR 32 6.810 7.118 -16.282
186 H CYS 33 H CYS 33 -1.746 8.706 -15.737
187 HA CYS 33 HA CYS 33 -3.602 7.305 -13.989
188 HB2 CYS 33 1HB CYS 33 -3.384 10.121 -15.010
189 HB3 CYS 33 2HB CYS 33 -4.886 9.550 -14.292
190 H ALA 34 H ALA 34 -3.435 8.533 -17.290
191 HA ALA 34 HA ALA 34 -6.127 7.587 -17.870
192 HB1 ALA 34 1HB ALA 34 -4.344 8.642 -20.001
193 HB2 ALA 34 2HB ALA 34 -6.074 8.879 -19.751
194 HB3 ALA 34 3HB ALA 34 -4.911 9.756 -18.758
195 H HIS 35 H HIS 35 -4.747 5.436 -17.155
196 HA HIS 35 HA HIS 35 -4.067 3.357 -17.783
197 HB2 HIS 35 1HB HIS 35 -6.236 3.549 -19.047
198 HB3 HIS 35 2HB HIS 35 -5.302 4.038 -20.457
199 HD1 HIS 35 HD1 HIS 35 -6.948 1.212 -19.367
200 HD2 HIS 35 HD2 HIS 35 -3.064 1.834 -20.704
201 HE1 HIS 35 HE1 HIS 35 -6.130 -1.041 -20.127
202 HE2 HIS 35 HE2 HIS 35 -3.749 -0.656 -20.853
Start of MODEL 18
1 H1 SER 1 H SER 1 1.195 0.985 0.284
2 HA SER 1 HA SER 1 1.563 -0.976 -1.882
3 HB2 SER 1 1HB SER 1 1.464 2.021 -2.033
4 HB3 SER 1 2HB SER 1 2.422 1.109 -3.200
5 HG SER 1 HG SER 1 -0.331 0.665 -2.669
6 H GLY 2 H GLY 2 3.672 -1.443 -2.473
7 HA2 GLY 2 1HA GLY 2 5.630 -1.393 -0.506
8 HA3 GLY 2 2HA GLY 2 5.942 -1.666 -2.214
9 HA PRO 3 HA PRO 3 7.594 2.259 -0.507
10 HB2 PRO 3 1HB PRO 3 10.302 1.810 -0.524
11 HB3 PRO 3 2HB PRO 3 9.247 1.508 0.897
12 HG2 PRO 3 1HG PRO 3 10.337 -0.435 -1.138
13 HG3 PRO 3 2HG PRO 3 9.967 -0.685 0.601
14 HD2 PRO 3 1HD PRO 3 8.337 -1.549 -1.495
15 HD3 PRO 3 2HD PRO 3 7.752 -1.226 0.173
16 H ASN 4 H ASN 4 8.098 0.570 -3.268
17 HA ASN 4 HA ASN 4 9.352 2.829 -4.651
18 HB2 ASN 4 1HB ASN 4 9.120 -0.092 -5.187
19 HB3 ASN 4 2HB ASN 4 9.210 0.985 -6.578
20 HD21 ASN 4 2HD2 ASN 4 10.850 -0.076 -3.675
21 HD22 ASN 4 1HD2 ASN 4 12.434 0.414 -4.162
22 H GLY 5 H GLY 5 6.333 1.924 -3.859
23 HA2 GLY 5 1HA GLY 5 4.360 2.944 -4.604
24 HA3 GLY 5 2HA GLY 5 5.190 3.420 -6.079
25 H GLN 6 H GLN 6 5.297 0.138 -4.911
26 HA GLN 6 HA GLN 6 4.325 -0.897 -7.362
27 HB2 GLN 6 1HB GLN 6 4.699 -2.247 -4.683
28 HB3 GLN 6 2HB GLN 6 4.373 -3.087 -6.193
29 HG2 GLN 6 1HG GLN 6 6.604 -3.286 -6.255
30 HG3 GLN 6 2HG GLN 6 6.525 -1.655 -6.919
31 HE21 GLN 6 2HE2 GLN 6 8.149 -3.479 -4.819
32 HE22 GLN 6 1HE2 GLN 6 8.631 -2.288 -3.665
33 H CYS 7 H CYS 7 2.323 -1.361 -8.018
34 HA CYS 7 HA CYS 7 0.159 -1.293 -6.018
35 HB2 CYS 7 1HB CYS 7 -1.281 -0.474 -7.955
36 HB3 CYS 7 2HB CYS 7 -0.110 0.672 -7.311
37 H GLY 8 H GLY 8 -1.551 -2.745 -6.266
38 HA2 GLY 8 1HA GLY 8 -2.625 -4.369 -7.853
39 HA3 GLY 8 2HA GLY 8 -0.995 -4.957 -8.145
40 HA PRO 9 HA PRO 9 -3.316 -7.387 -5.319
41 HB2 PRO 9 1HB PRO 9 -1.973 -9.771 -6.346
42 HB3 PRO 9 2HB PRO 9 -3.730 -9.402 -6.337
43 HG2 PRO 9 1HG PRO 9 -2.168 -9.301 -8.613
44 HG3 PRO 9 2HG PRO 9 -3.638 -8.294 -8.379
45 HD2 PRO 9 1HD PRO 9 -0.736 -7.514 -8.227
46 HD3 PRO 9 2HD PRO 9 -2.170 -6.517 -8.645
47 H GLY 10 H GLY 10 -2.233 -6.419 -3.573
48 HA2 GLY 10 1HA GLY 10 -1.639 -7.793 -1.488
49 HA3 GLY 10 2HA GLY 10 -0.189 -8.188 -2.399
50 H TRP 11 H TRP 11 -0.644 -5.230 -3.438
51 HA TRP 11 HA TRP 11 0.810 -4.001 -1.188
52 HB2 TRP 11 1HB TRP 11 1.028 -3.171 -4.082
53 HB3 TRP 11 2HB TRP 11 2.072 -2.705 -2.742
54 HD1 TRP 11 HD1 TRP 11 1.458 -5.534 -5.217
55 HE1 TRP 11 HE1 TRP 11 3.428 -7.185 -5.100
56 HE3 TRP 11 HE3 TRP 11 3.869 -3.633 -1.129
57 HZ2 TRP 11 HZ2 TRP 11 5.703 -7.625 -3.489
58 HZ3 TRP 11 HZ3 TRP 11 5.936 -4.728 -0.365
59 HH2 TRP 11 HH2 TRP 11 6.832 -6.683 -1.521
60 H GLY 12 H GLY 12 -1.695 -3.589 -3.609
61 HA2 GLY 12 1HA GLY 12 -3.669 -2.320 -2.961
62 HA3 GLY 12 2HA GLY 12 -2.599 -1.195 -2.136
63 H GLY 13 H GLY 13 -3.835 0.404 -3.403
64 HA2 GLY 13 1HA GLY 13 -2.930 0.550 -6.207
65 HA3 GLY 13 2HA GLY 13 -4.370 1.335 -5.575
66 H CYS 14 H CYS 14 -3.404 3.218 -6.684
67 HA CYS 14 HA CYS 14 -1.285 4.481 -5.077
68 HB2 CYS 14 1HB CYS 14 -2.170 5.269 -7.857
69 HB3 CYS 14 2HB CYS 14 -0.739 5.823 -6.994
70 H ARG 15 H ARG 15 -1.461 6.833 -4.779
71 HA ARG 15 HA ARG 15 -4.081 8.026 -5.045
72 HB2 ARG 15 1HB ARG 15 -2.919 7.285 -2.368
73 HB3 ARG 15 2HB ARG 15 -4.078 8.596 -2.542
74 HG2 ARG 15 1HG ARG 15 -5.533 6.819 -3.740
75 HG3 ARG 15 2HG ARG 15 -4.471 5.663 -2.933
76 HD2 ARG 15 1HD ARG 15 -4.998 6.891 -0.782
77 HD3 ARG 15 2HD ARG 15 -6.261 7.731 -1.680
78 HE ARG 15 HE ARG 15 -6.443 4.887 -1.924
79 HH11 ARG 15 1HH1 ARG 15 -7.217 7.604 0.111
80 HH12 ARG 15 2HH1 ARG 15 -8.555 6.814 0.878
81 HH21 ARG 15 1HH2 ARG 15 -8.203 3.838 -0.922
82 HH22 ARG 15 2HH2 ARG 15 -9.114 4.672 0.291
83 H GLY 16 H GLY 16 -3.933 10.228 -3.595
84 HA2 GLY 16 1HA GLY 16 -3.010 12.329 -3.544
85 HA3 GLY 16 2HA GLY 16 -1.478 11.509 -3.279
86 H GLY 17 H GLY 17 -3.624 11.460 -6.111
87 HA2 GLY 17 1HA GLY 17 -3.297 12.430 -8.206
88 HA3 GLY 17 2HA GLY 17 -1.772 13.090 -7.635
89 H LEU 18 H LEU 18 -1.522 10.028 -6.710
90 HA LEU 18 HA LEU 18 0.088 9.319 -9.012
91 HB2 LEU 18 1HB LEU 18 -0.385 7.805 -6.450
92 HB3 LEU 18 2HB LEU 18 0.847 7.450 -7.659
93 HG LEU 18 HG LEU 18 0.729 9.836 -5.820
94 HD11 LEU 18 1HD1 LEU 18 2.897 7.775 -6.075
95 HD12 LEU 18 2HD1 LEU 18 1.531 7.572 -4.979
96 HD13 LEU 18 3HD1 LEU 18 2.627 8.939 -4.777
97 HD21 LEU 18 3HD2 LEU 18 2.236 9.352 -8.325
98 HD22 LEU 18 1HD2 LEU 18 3.118 10.069 -6.976
99 HD23 LEU 18 2HD2 LEU 18 1.677 10.864 -7.609
100 H CYS 19 H CYS 19 -0.074 7.248 -10.073
101 HA CYS 19 HA CYS 19 -2.608 5.832 -9.826
102 HB2 CYS 19 1HB CYS 19 -1.717 7.259 -12.332
103 HB3 CYS 19 2HB CYS 19 -2.898 5.953 -12.351
104 H CYS 20 H CYS 20 -2.602 3.752 -10.799
105 HA CYS 20 HA CYS 20 -0.076 2.453 -10.707
106 HB2 CYS 20 1HB CYS 20 -2.439 1.510 -10.188
107 HB3 CYS 20 2HB CYS 20 -2.535 1.225 -11.923
108 H SER 21 H SER 21 1.412 2.507 -12.243
109 HA SER 21 HA SER 21 0.756 3.238 -14.951
110 HB2 SER 21 1HB SER 21 3.081 3.395 -15.323
111 HB3 SER 21 2HB SER 21 2.871 3.903 -13.647
112 HG SER 21 HG SER 21 4.144 2.334 -13.115
113 H GLN 22 H GLN 22 1.966 1.911 -16.728
114 HA GLN 22 HA GLN 22 0.709 -0.628 -16.845
115 HB2 GLN 22 1HB GLN 22 1.337 0.934 -18.783
116 HB3 GLN 22 2HB GLN 22 2.954 0.258 -18.644
117 HG2 GLN 22 1HG GLN 22 1.301 -1.960 -18.718
118 HG3 GLN 22 2HG GLN 22 0.584 -0.843 -19.878
119 HE21 GLN 22 2HE2 GLN 22 2.050 0.073 -21.500
120 HE22 GLN 22 1HE2 GLN 22 3.333 -0.914 -22.103
121 H TYR 23 H TYR 23 3.552 0.377 -15.372
122 HA TYR 23 HA TYR 23 4.753 -2.301 -15.541
123 HB2 TYR 23 1HB TYR 23 5.919 0.390 -14.836
124 HB3 TYR 23 2HB TYR 23 6.774 -1.118 -14.533
125 HD1 TYR 23 HD1 TYR 23 6.801 -2.736 -16.695
126 HD2 TYR 23 HD2 TYR 23 6.454 1.504 -16.776
127 HE1 TYR 23 HE1 TYR 23 7.661 -2.716 -18.999
128 HE2 TYR 23 HE2 TYR 23 7.311 1.536 -19.081
129 HH TYR 23 HH TYR 23 8.387 0.292 -20.662
130 H GLY 24 H GLY 24 2.543 -0.986 -13.732
131 HA2 GLY 24 1HA GLY 24 1.751 -1.525 -11.635
132 HA3 GLY 24 2HA GLY 24 3.141 -2.582 -11.437
133 H TYR 25 H TYR 25 3.912 0.621 -12.304
134 HA TYR 25 HA TYR 25 4.729 1.161 -9.530
135 HB2 TYR 25 1HB TYR 25 5.841 2.357 -12.076
136 HB3 TYR 25 2HB TYR 25 6.465 2.597 -10.448
137 HD1 TYR 25 HD1 TYR 25 6.447 -0.123 -9.360
138 HD2 TYR 25 HD2 TYR 25 7.524 1.253 -13.239
139 HE1 TYR 25 HE1 TYR 25 7.923 -2.071 -9.635
140 HE2 TYR 25 HE2 TYR 25 9.002 -0.692 -13.525
141 HH TYR 25 HH TYR 25 9.442 -2.809 -12.686
142 H CYS 26 H CYS 26 3.951 2.885 -8.481
143 HA CYS 26 HA CYS 26 1.779 4.356 -9.558
144 HB2 CYS 26 1HB CYS 26 3.392 4.600 -7.026
145 HB3 CYS 26 2HB CYS 26 2.111 5.742 -7.417
146 H GLY 27 H GLY 27 1.698 6.283 -10.554
147 HA2 GLY 27 1HA GLY 27 3.934 8.134 -10.381
148 HA3 GLY 27 2HA GLY 27 3.648 7.440 -11.970
149 H SER 28 H SER 28 3.526 10.161 -11.576
150 HA SER 28 HA SER 28 0.652 10.774 -11.534
151 HB2 SER 28 1HB SER 28 1.757 13.213 -11.574
152 HB3 SER 28 2HB SER 28 1.527 12.310 -10.077
153 HG SER 28 HG SER 28 3.895 12.508 -11.625
154 H GLY 29 H GLY 29 -0.251 12.127 -13.167
155 HA2 GLY 29 1HA GLY 29 0.097 13.371 -15.253
156 HA3 GLY 29 2HA GLY 29 1.313 12.174 -15.673
157 HA PRO 30 HA PRO 30 -2.818 10.943 -17.323
158 HB2 PRO 30 1HB PRO 30 -2.622 11.690 -19.945
159 HB3 PRO 30 2HB PRO 30 -3.451 12.649 -18.735
160 HG2 PRO 30 1HG PRO 30 -0.808 13.111 -19.975
161 HG3 PRO 30 2HG PRO 30 -1.826 14.243 -19.107
162 HD2 PRO 30 1HD PRO 30 0.528 12.941 -18.112
163 HD3 PRO 30 2HD PRO 30 -0.555 13.982 -17.209
164 H LYS 31 H LYS 31 0.365 10.603 -18.171
165 HA LYS 31 HA LYS 31 0.029 8.349 -19.916
166 HB2 LYS 31 1HB LYS 31 2.015 10.033 -19.751
167 HB3 LYS 31 2HB LYS 31 2.582 8.972 -18.469
168 HG2 LYS 31 1HG LYS 31 2.245 7.097 -20.239
169 HG3 LYS 31 2HG LYS 31 2.308 8.433 -21.390
170 HD2 LYS 31 1HD LYS 31 4.529 8.242 -21.308
171 HD3 LYS 31 2HD LYS 31 4.435 8.916 -19.679
172 HE2 LYS 31 1HE LYS 31 4.770 6.904 -18.683
173 HE3 LYS 31 2HE LYS 31 3.928 6.014 -19.951
174 HZ1 LYS 31 3HZ LYS 31 6.702 6.438 -19.627
175 HZ2 LYS 31 1HZ LYS 31 6.205 7.080 -21.112
176 HZ3 LYS 31 2HZ LYS 31 5.902 5.456 -20.748
177 H TYR 32 H TYR 32 -0.222 8.761 -16.605
178 HA TYR 32 HA TYR 32 0.325 5.903 -16.134
179 HB2 TYR 32 1HB TYR 32 0.709 8.269 -14.300
180 HB3 TYR 32 2HB TYR 32 0.682 6.609 -13.717
181 HD1 TYR 32 HD1 TYR 32 2.167 5.244 -15.898
182 HD2 TYR 32 HD2 TYR 32 2.918 8.941 -13.931
183 HE1 TYR 32 HE1 TYR 32 4.562 5.023 -16.410
184 HE2 TYR 32 HE2 TYR 32 5.315 8.731 -14.439
185 HH TYR 32 HH TYR 32 6.554 6.033 -16.372
186 H CYS 33 H CYS 33 -1.823 8.612 -15.614
187 HA CYS 33 HA CYS 33 -3.680 7.031 -14.039
188 HB2 CYS 33 1HB CYS 33 -3.592 9.895 -14.944
189 HB3 CYS 33 2HB CYS 33 -5.076 9.206 -14.294
190 H ALA 34 H ALA 34 -3.439 8.410 -17.275
191 HA ALA 34 HA ALA 34 -6.044 7.341 -18.018
192 HB1 ALA 34 1HB ALA 34 -5.966 8.689 -19.872
193 HB2 ALA 34 2HB ALA 34 -4.966 9.616 -18.753
194 HB3 ALA 34 3HB ALA 34 -4.207 8.613 -19.990
195 H HIS 35 H HIS 35 -4.917 5.157 -17.432
196 HA HIS 35 HA HIS 35 -4.126 3.133 -18.112
197 HB2 HIS 35 1HB HIS 35 -4.847 4.040 -20.900
198 HB3 HIS 35 2HB HIS 35 -4.799 2.391 -20.283
199 HD1 HIS 35 HD1 HIS 35 -7.091 5.073 -20.959
200 HD2 HIS 35 HD2 HIS 35 -6.879 1.990 -18.182
201 HE1 HIS 35 HE1 HIS 35 -9.424 4.822 -20.053
202 HE2 HIS 35 HE2 HIS 35 -9.253 3.009 -18.314
Start of MODEL 19
1 H1 SER 1 H SER 1 0.862 0.866 0.344
2 HA SER 1 HA SER 1 1.599 -0.836 -1.911
3 HB2 SER 1 1HB SER 1 2.438 1.824 -2.375
4 HB3 SER 1 2HB SER 1 1.056 0.991 -3.087
5 HG SER 1 HG SER 1 1.069 3.001 -1.325
6 H GLY 2 H GLY 2 3.638 -1.413 -2.399
7 HA2 GLY 2 1HA GLY 2 5.671 -1.387 -0.519
8 HA3 GLY 2 2HA GLY 2 5.917 -1.640 -2.241
9 HA PRO 3 HA PRO 3 7.620 2.274 -0.535
10 HB2 PRO 3 1HB PRO 3 10.326 1.814 -0.567
11 HB3 PRO 3 2HB PRO 3 9.278 1.522 0.862
12 HG2 PRO 3 1HG PRO 3 10.348 -0.434 -1.172
13 HG3 PRO 3 2HG PRO 3 9.988 -0.676 0.571
14 HD2 PRO 3 1HD PRO 3 8.341 -1.542 -1.512
15 HD3 PRO 3 2HD PRO 3 7.768 -1.209 0.158
16 H ASN 4 H ASN 4 8.099 0.572 -3.292
17 HA ASN 4 HA ASN 4 9.351 2.822 -4.692
18 HB2 ASN 4 1HB ASN 4 9.123 -0.101 -5.206
19 HB3 ASN 4 2HB ASN 4 9.190 0.962 -6.609
20 HD21 ASN 4 2HD2 ASN 4 10.871 -0.059 -3.713
21 HD22 ASN 4 1HD2 ASN 4 12.446 0.432 -4.225
22 H GLY 5 H GLY 5 6.336 1.931 -3.878
23 HA2 GLY 5 1HA GLY 5 4.360 2.943 -4.619
24 HA3 GLY 5 2HA GLY 5 5.183 3.415 -6.099
25 H GLN 6 H GLN 6 5.304 0.136 -4.930
26 HA GLN 6 HA GLN 6 4.322 -0.907 -7.371
27 HB2 GLN 6 1HB GLN 6 4.698 -2.245 -4.687
28 HB3 GLN 6 2HB GLN 6 4.366 -3.092 -6.192
29 HG2 GLN 6 1HG GLN 6 6.596 -3.297 -6.258
30 HG3 GLN 6 2HG GLN 6 6.519 -1.670 -6.931
31 HE21 GLN 6 2HE2 GLN 6 8.156 -3.480 -4.837
32 HE22 GLN 6 1HE2 GLN 6 8.639 -2.286 -3.686
33 H CYS 7 H CYS 7 2.319 -1.369 -8.024
34 HA CYS 7 HA CYS 7 0.157 -1.295 -6.022
35 HB2 CYS 7 1HB CYS 7 -1.284 -0.472 -7.957
36 HB3 CYS 7 2HB CYS 7 -0.110 0.671 -7.313
37 H GLY 8 H GLY 8 -1.558 -2.742 -6.272
38 HA2 GLY 8 1HA GLY 8 -2.635 -4.364 -7.858
39 HA3 GLY 8 2HA GLY 8 -1.007 -4.955 -8.152
40 HA PRO 9 HA PRO 9 -3.328 -7.385 -5.327
41 HB2 PRO 9 1HB PRO 9 -1.985 -9.769 -6.356
42 HB3 PRO 9 2HB PRO 9 -3.742 -9.399 -6.347
43 HG2 PRO 9 1HG PRO 9 -2.180 -9.297 -8.622
44 HG3 PRO 9 2HG PRO 9 -3.649 -8.290 -8.387
45 HD2 PRO 9 1HD PRO 9 -0.747 -7.511 -8.235
46 HD3 PRO 9 2HD PRO 9 -2.181 -6.513 -8.653
47 H GLY 10 H GLY 10 -2.245 -6.419 -3.580
48 HA2 GLY 10 1HA GLY 10 -1.652 -7.795 -1.496
49 HA3 GLY 10 2HA GLY 10 -0.202 -8.190 -2.407
50 H TRP 11 H TRP 11 -0.655 -5.231 -3.444
51 HA TRP 11 HA TRP 11 0.798 -4.004 -1.192
52 HB2 TRP 11 1HB TRP 11 1.020 -3.174 -4.086
53 HB3 TRP 11 2HB TRP 11 2.063 -2.708 -2.745
54 HD1 TRP 11 HD1 TRP 11 1.449 -5.537 -5.220
55 HE1 TRP 11 HE1 TRP 11 3.419 -7.190 -5.101
56 HE3 TRP 11 HE3 TRP 11 3.858 -3.636 -1.132
57 HZ2 TRP 11 HZ2 TRP 11 5.693 -7.629 -3.488
58 HZ3 TRP 11 HZ3 TRP 11 5.924 -4.731 -0.365
59 HH2 TRP 11 HH2 TRP 11 6.820 -6.687 -1.520
60 H GLY 12 H GLY 12 -1.703 -3.587 -3.617
61 HA2 GLY 12 1HA GLY 12 -3.677 -2.318 -2.970
62 HA3 GLY 12 2HA GLY 12 -2.607 -1.194 -2.144
63 H GLY 13 H GLY 13 -3.846 0.403 -3.414
64 HA2 GLY 13 1HA GLY 13 -2.935 0.551 -6.215
65 HA3 GLY 13 2HA GLY 13 -4.376 1.336 -5.585
66 H CYS 14 H CYS 14 -3.409 3.220 -6.692
67 HA CYS 14 HA CYS 14 -1.291 4.482 -5.082
68 HB2 CYS 14 1HB CYS 14 -2.174 5.268 -7.863
69 HB3 CYS 14 2HB CYS 14 -0.746 5.828 -6.999
70 H ARG 15 H ARG 15 -1.467 6.833 -4.783
71 HA ARG 15 HA ARG 15 -4.086 8.027 -5.051
72 HB2 ARG 15 1HB ARG 15 -2.929 7.280 -2.374
73 HB3 ARG 15 2HB ARG 15 -4.083 8.596 -2.546
74 HG2 ARG 15 1HG ARG 15 -5.564 6.958 -2.111
75 HG3 ARG 15 2HG ARG 15 -5.416 6.673 -3.847
76 HD2 ARG 15 1HD ARG 15 -4.840 4.582 -3.338
77 HD3 ARG 15 2HD ARG 15 -3.315 5.242 -2.748
78 HE ARG 15 HE ARG 15 -5.416 5.306 -0.794
79 HH11 ARG 15 1HH1 ARG 15 -2.913 3.358 -2.228
80 HH12 ARG 15 2HH1 ARG 15 -2.741 2.328 -0.845
81 HH21 ARG 15 1HH2 ARG 15 -5.199 3.958 1.033
82 HH22 ARG 15 2HH2 ARG 15 -4.043 2.670 1.009
83 H GLY 16 H GLY 16 -3.940 10.228 -3.600
84 HA2 GLY 16 1HA GLY 16 -3.017 12.329 -3.546
85 HA3 GLY 16 2HA GLY 16 -1.486 11.508 -3.278
86 H GLY 17 H GLY 17 -3.626 11.459 -6.114
87 HA2 GLY 17 1HA GLY 17 -3.295 12.432 -8.208
88 HA3 GLY 17 2HA GLY 17 -1.770 13.090 -7.634
89 H LEU 18 H LEU 18 -1.518 10.031 -6.709
90 HA LEU 18 HA LEU 18 0.092 9.320 -9.011
91 HB2 LEU 18 1HB LEU 18 -0.385 7.804 -6.450
92 HB3 LEU 18 2HB LEU 18 0.849 7.451 -7.658
93 HG LEU 18 HG LEU 18 0.728 9.834 -5.816
94 HD11 LEU 18 1HD1 LEU 18 3.177 8.363 -5.804
95 HD12 LEU 18 2HD1 LEU 18 1.828 7.260 -5.534
96 HD13 LEU 18 3HD1 LEU 18 2.048 8.658 -4.482
97 HD21 LEU 18 3HD2 LEU 18 3.065 10.191 -6.919
98 HD22 LEU 18 1HD2 LEU 18 1.612 10.801 -7.710
99 HD23 LEU 18 2HD2 LEU 18 2.352 9.299 -8.264
100 H CYS 19 H CYS 19 -0.072 7.249 -10.073
101 HA CYS 19 HA CYS 19 -2.606 5.835 -9.829
102 HB2 CYS 19 1HB CYS 19 -1.712 7.262 -12.333
103 HB3 CYS 19 2HB CYS 19 -2.894 5.957 -12.354
104 H CYS 20 H CYS 20 -2.601 3.756 -10.803
105 HA CYS 20 HA CYS 20 -0.076 2.455 -10.709
106 HB2 CYS 20 1HB CYS 20 -2.440 1.513 -10.193
107 HB3 CYS 20 2HB CYS 20 -2.534 1.229 -11.928
108 H SER 21 H SER 21 1.414 2.509 -12.243
109 HA SER 21 HA SER 21 0.760 3.240 -14.952
110 HB2 SER 21 1HB SER 21 3.086 3.398 -15.321
111 HB3 SER 21 2HB SER 21 2.875 3.905 -13.645
112 HG SER 21 HG SER 21 4.146 2.336 -13.112
113 H GLN 22 H GLN 22 1.973 1.913 -16.728
114 HA GLN 22 HA GLN 22 0.716 -0.625 -16.846
115 HB2 GLN 22 1HB GLN 22 1.287 0.890 -18.800
116 HB3 GLN 22 2HB GLN 22 2.948 0.337 -18.633
117 HG2 GLN 22 1HG GLN 22 1.738 -0.872 -20.379
118 HG3 GLN 22 2HG GLN 22 2.277 -1.938 -19.083
119 HE21 GLN 22 2HE2 GLN 22 0.797 -3.521 -19.230
120 HE22 GLN 22 1HE2 GLN 22 -0.902 -3.296 -19.013
121 H TYR 23 H TYR 23 3.557 0.380 -15.370
122 HA TYR 23 HA TYR 23 4.758 -2.299 -15.538
123 HB2 TYR 23 1HB TYR 23 5.906 0.410 -14.903
124 HB3 TYR 23 2HB TYR 23 6.758 -1.068 -14.470
125 HD1 TYR 23 HD1 TYR 23 5.458 0.916 -17.303
126 HD2 TYR 23 HD2 TYR 23 7.921 -2.341 -16.108
127 HE1 TYR 23 HE1 TYR 23 6.399 0.802 -19.573
128 HE2 TYR 23 HE2 TYR 23 8.870 -2.463 -18.374
129 HH TYR 23 HH TYR 23 8.640 -0.068 -20.595
130 H GLY 24 H GLY 24 2.546 -0.984 -13.731
131 HA2 GLY 24 1HA GLY 24 1.751 -1.523 -11.635
132 HA3 GLY 24 2HA GLY 24 3.141 -2.580 -11.436
133 H TYR 25 H TYR 25 3.913 0.623 -12.301
134 HA TYR 25 HA TYR 25 4.728 1.162 -9.525
135 HB2 TYR 25 1HB TYR 25 5.844 2.353 -12.072
136 HB3 TYR 25 2HB TYR 25 6.463 2.601 -10.444
137 HD1 TYR 25 HD2 TYR 25 6.411 -0.140 -9.365
138 HD2 TYR 25 HD1 TYR 25 7.563 1.270 -13.210
139 HE1 TYR 25 HE2 TYR 25 7.891 -2.087 -9.629
140 HE2 TYR 25 HE1 TYR 25 9.045 -0.673 -13.485
141 HH TYR 25 HH TYR 25 10.077 -2.556 -11.059
142 H CYS 26 H CYS 26 3.949 2.886 -8.477
143 HA CYS 26 HA CYS 26 1.778 4.357 -9.554
144 HB2 CYS 26 1HB CYS 26 3.394 4.601 -7.024
145 HB3 CYS 26 2HB CYS 26 2.117 5.748 -7.415
146 H GLY 27 H GLY 27 1.693 6.290 -10.542
147 HA2 GLY 27 1HA GLY 27 3.930 8.138 -10.379
148 HA3 GLY 27 2HA GLY 27 3.643 7.441 -11.966
149 H SER 28 H SER 28 3.520 10.165 -11.573
150 HA SER 28 HA SER 28 0.646 10.775 -11.533
151 HB2 SER 28 1HB SER 28 1.748 13.215 -11.572
152 HB3 SER 28 2HB SER 28 1.518 12.312 -10.075
153 HG SER 28 HG SER 28 3.886 12.527 -11.619
154 H GLY 29 H GLY 29 -0.257 12.127 -13.167
155 HA2 GLY 29 1HA GLY 29 0.092 13.371 -15.253
156 HA3 GLY 29 2HA GLY 29 1.310 12.176 -15.672
157 HA PRO 30 HA PRO 30 -2.818 10.940 -17.327
158 HB2 PRO 30 1HB PRO 30 -2.619 11.687 -19.948
159 HB3 PRO 30 2HB PRO 30 -3.450 12.645 -18.739
160 HG2 PRO 30 1HG PRO 30 -0.806 13.111 -19.976
161 HG3 PRO 30 2HG PRO 30 -1.827 14.241 -19.110
162 HD2 PRO 30 1HD PRO 30 0.528 12.942 -18.111
163 HD3 PRO 30 2HD PRO 30 -0.558 13.982 -17.210
164 H LYS 31 H LYS 31 0.367 10.604 -18.171
165 HA LYS 31 HA LYS 31 0.036 8.350 -19.916
166 HB2 LYS 31 1HB LYS 31 1.998 9.946 -19.932
167 HB3 LYS 31 2HB LYS 31 2.542 9.175 -18.448
168 HG2 LYS 31 1HG LYS 31 3.154 7.247 -19.507
169 HG3 LYS 31 2HG LYS 31 1.975 7.455 -20.805
170 HD2 LYS 31 1HD LYS 31 3.345 8.840 -22.011
171 HD3 LYS 31 2HD LYS 31 4.187 9.434 -20.578
172 HE2 LYS 31 1HE LYS 31 5.851 8.072 -21.185
173 HE3 LYS 31 2HE LYS 31 4.826 6.761 -20.603
174 HZ1 LYS 31 3HZ LYS 31 4.885 5.963 -22.656
175 HZ2 LYS 31 1HZ LYS 31 5.653 7.346 -23.256
176 HZ3 LYS 31 2HZ LYS 31 3.965 7.289 -23.162
177 H TYR 32 H TYR 32 -0.219 8.762 -16.605
178 HA TYR 32 HA TYR 32 0.330 5.905 -16.133
179 HB2 TYR 32 1HB TYR 32 0.710 8.271 -14.300
180 HB3 TYR 32 2HB TYR 32 0.684 6.611 -13.716
181 HD1 TYR 32 HD1 TYR 32 2.171 5.246 -15.895
182 HD2 TYR 32 HD2 TYR 32 2.918 8.944 -13.928
183 HE1 TYR 32 HE1 TYR 32 4.568 5.026 -16.404
184 HE2 TYR 32 HE2 TYR 32 5.316 8.735 -14.433
185 HH TYR 32 HH TYR 32 6.922 6.667 -14.912
186 H CYS 33 H CYS 33 -1.821 8.611 -15.617
187 HA CYS 33 HA CYS 33 -3.678 7.029 -14.042
188 HB2 CYS 33 1HB CYS 33 -3.595 9.892 -14.953
189 HB3 CYS 33 2HB CYS 33 -5.076 9.201 -14.299
190 H ALA 34 H ALA 34 -3.435 8.403 -17.280
191 HA ALA 34 HA ALA 34 -6.038 7.330 -18.024
192 HB1 ALA 34 1HB ALA 34 -4.224 8.576 -20.022
193 HB2 ALA 34 2HB ALA 34 -5.975 8.699 -19.851
194 HB3 ALA 34 3HB ALA 34 -4.918 9.601 -18.766
195 H HIS 35 H HIS 35 -4.560 5.235 -17.329
196 HA HIS 35 HA HIS 35 -4.392 3.721 -19.746
197 HB2 HIS 35 1HB HIS 35 -2.137 5.010 -19.484
198 HB3 HIS 35 2HB HIS 35 -1.802 3.817 -18.233
199 HD1 HIS 35 HD1 HIS 35 -3.062 1.354 -19.700
200 HD2 HIS 35 HD2 HIS 35 -0.416 4.069 -21.400
201 HE1 HIS 35 HE1 HIS 35 -1.980 0.131 -21.613
202 HE2 HIS 35 HE2 HIS 35 -0.321 1.766 -22.573
Start of MODEL 20
1 H1 SER 1 H SER 1 1.168 -0.734 0.527
2 HA SER 1 HA SER 1 1.599 -0.843 -1.911
3 HB2 SER 1 1HB SER 1 1.743 2.163 -1.574
4 HB3 SER 1 2HB SER 1 2.081 1.277 -3.060
5 HG SER 1 HG SER 1 -0.390 1.519 -1.697
6 H GLY 2 H GLY 2 3.646 -1.407 -2.369
7 HA2 GLY 2 1HA GLY 2 5.663 -1.349 -0.471
8 HA3 GLY 2 2HA GLY 2 5.926 -1.609 -2.189
9 HA PRO 3 HA PRO 3 7.579 2.330 -0.496
10 HB2 PRO 3 1HB PRO 3 10.290 1.897 -0.514
11 HB3 PRO 3 2HB PRO 3 9.238 1.600 0.912
12 HG2 PRO 3 1HG PRO 3 10.337 -0.353 -1.109
13 HG3 PRO 3 2HG PRO 3 9.971 -0.591 0.633
14 HD2 PRO 3 1HD PRO 3 8.342 -1.482 -1.454
15 HD3 PRO 3 2HD PRO 3 7.759 -1.149 0.212
16 H ASN 4 H ASN 4 8.088 0.621 -3.243
17 HA ASN 4 HA ASN 4 9.329 2.873 -4.647
18 HB2 ASN 4 1HB ASN 4 8.793 0.046 -5.586
19 HB3 ASN 4 2HB ASN 4 9.645 1.284 -6.504
20 HD21 ASN 4 2HD2 ASN 4 9.765 -0.793 -3.699
21 HD22 ASN 4 1HD2 ASN 4 11.475 -0.708 -3.470
22 H GLY 5 H GLY 5 6.314 1.962 -3.841
23 HA2 GLY 5 1HA GLY 5 4.332 2.959 -4.586
24 HA3 GLY 5 2HA GLY 5 5.159 3.450 -6.058
25 H GLN 6 H GLN 6 5.260 0.164 -4.881
26 HA GLN 6 HA GLN 6 4.314 -0.870 -7.347
27 HB2 GLN 6 1HB GLN 6 4.664 -2.239 -4.674
28 HB3 GLN 6 2HB GLN 6 4.386 -3.062 -6.203
29 HG2 GLN 6 1HG GLN 6 6.620 -3.228 -6.216
30 HG3 GLN 6 2HG GLN 6 6.534 -1.587 -6.856
31 HE21 GLN 6 2HE2 GLN 6 8.111 -3.435 -4.727
32 HE22 GLN 6 1HE2 GLN 6 8.557 -2.252 -3.550
33 H CYS 7 H CYS 7 2.317 -1.341 -8.012
34 HA CYS 7 HA CYS 7 0.145 -1.292 -6.019
35 HB2 CYS 7 1HB CYS 7 -1.293 -0.472 -7.956
36 HB3 CYS 7 2HB CYS 7 -0.127 0.677 -7.307
37 H GLY 8 H GLY 8 -1.557 -2.751 -6.280
38 HA2 GLY 8 1HA GLY 8 -2.617 -4.375 -7.876
39 HA3 GLY 8 2HA GLY 8 -0.982 -4.954 -8.165
40 HA PRO 9 HA PRO 9 -3.298 -7.409 -5.357
41 HB2 PRO 9 1HB PRO 9 -1.934 -9.780 -6.388
42 HB3 PRO 9 2HB PRO 9 -3.694 -9.423 -6.385
43 HG2 PRO 9 1HG PRO 9 -2.124 -9.303 -8.654
44 HG3 PRO 9 2HG PRO 9 -3.601 -8.307 -8.422
45 HD2 PRO 9 1HD PRO 9 -0.705 -7.508 -8.255
46 HD3 PRO 9 2HD PRO 9 -2.144 -6.518 -8.675
47 H GLY 10 H GLY 10 -2.226 -6.439 -3.604
48 HA2 GLY 10 1HA GLY 10 -1.632 -7.819 -1.522
49 HA3 GLY 10 2HA GLY 10 -0.175 -8.197 -2.429
50 H TRP 11 H TRP 11 -0.646 -5.240 -3.457
51 HA TRP 11 HA TRP 11 0.783 -4.009 -1.193
52 HB2 TRP 11 1HB TRP 11 1.014 -3.168 -4.083
53 HB3 TRP 11 2HB TRP 11 2.045 -2.696 -2.735
54 HD1 TRP 11 HD1 TRP 11 1.473 -5.525 -5.220
55 HE1 TRP 11 HE1 TRP 11 3.457 -7.159 -5.093
56 HE3 TRP 11 HE3 TRP 11 3.839 -3.610 -1.113
57 HZ2 TRP 11 HZ2 TRP 11 5.725 -7.581 -3.467
58 HZ3 TRP 11 HZ3 TRP 11 5.910 -4.688 -0.336
59 HH2 TRP 11 HH2 TRP 11 6.832 -6.632 -1.490
60 H GLY 12 H GLY 12 -1.705 -3.603 -3.633
61 HA2 GLY 12 1HA GLY 12 -3.694 -2.353 -2.994
62 HA3 GLY 12 2HA GLY 12 -2.640 -1.225 -2.155
63 H GLY 13 H GLY 13 -3.874 0.375 -3.421
64 HA2 GLY 13 1HA GLY 13 -2.966 0.536 -6.222
65 HA3 GLY 13 2HA GLY 13 -4.397 1.329 -5.580
66 H CYS 14 H CYS 14 -3.413 3.207 -6.688
67 HA CYS 14 HA CYS 14 -1.269 4.439 -5.093
68 HB2 CYS 14 1HB CYS 14 -2.199 5.235 -7.858
69 HB3 CYS 14 2HB CYS 14 -0.774 5.825 -7.009
70 H ARG 15 H ARG 15 -1.420 6.799 -4.785
71 HA ARG 15 HA ARG 15 -4.039 8.006 -4.978
72 HB2 ARG 15 1HB ARG 15 -2.826 7.222 -2.339
73 HB3 ARG 15 2HB ARG 15 -3.960 8.559 -2.465
74 HG2 ARG 15 1HG ARG 15 -5.606 6.991 -3.468
75 HG3 ARG 15 2HG ARG 15 -4.474 5.675 -3.149
76 HD2 ARG 15 1HD ARG 15 -4.735 7.153 -0.756
77 HD3 ARG 15 2HD ARG 15 -6.361 6.894 -1.386
78 HE ARG 15 HE ARG 15 -5.267 4.444 -1.578
79 HH11 ARG 15 1HH1 ARG 15 -5.428 6.751 1.024
80 HH12 ARG 15 2HH1 ARG 15 -5.429 5.545 2.268
81 HH21 ARG 15 1HH2 ARG 15 -5.267 2.847 0.050
82 HH22 ARG 15 2HH2 ARG 15 -5.336 3.324 1.713
83 H GLY 16 H GLY 16 -3.849 10.198 -3.521
84 HA2 GLY 16 1HA GLY 16 -2.912 12.292 -3.471
85 HA3 GLY 16 2HA GLY 16 -1.379 11.462 -3.250
86 H GLY 17 H GLY 17 -3.585 11.426 -6.033
87 HA2 GLY 17 1HA GLY 17 -3.308 12.403 -8.131
88 HA3 GLY 17 2HA GLY 17 -1.778 13.077 -7.588
89 H LEU 18 H LEU 18 -1.493 10.007 -6.684
90 HA LEU 18 HA LEU 18 0.094 9.327 -9.010
91 HB2 LEU 18 1HB LEU 18 -0.349 7.786 -6.457
92 HB3 LEU 18 2HB LEU 18 0.870 7.445 -7.684
93 HG LEU 18 HG LEU 18 0.768 9.815 -5.824
94 HD11 LEU 18 1HD1 LEU 18 2.257 8.743 -4.557
95 HD12 LEU 18 2HD1 LEU 18 3.177 8.186 -5.954
96 HD13 LEU 18 3HD1 LEU 18 1.758 7.286 -5.417
97 HD21 LEU 18 3HD2 LEU 18 1.550 10.640 -7.916
98 HD22 LEU 18 1HD2 LEU 18 2.582 9.230 -8.155
99 HD23 LEU 18 2HD2 LEU 18 2.962 10.396 -6.887
100 H CYS 19 H CYS 19 -0.070 7.262 -10.087
101 HA CYS 19 HA CYS 19 -2.606 5.847 -9.838
102 HB2 CYS 19 1HB CYS 19 -1.703 7.261 -12.348
103 HB3 CYS 19 2HB CYS 19 -2.904 5.974 -12.356
104 H CYS 20 H CYS 20 -2.604 3.767 -10.802
105 HA CYS 20 HA CYS 20 -0.082 2.462 -10.714
106 HB2 CYS 20 1HB CYS 20 -2.446 1.526 -10.190
107 HB3 CYS 20 2HB CYS 20 -2.545 1.237 -11.924
108 H SER 21 H SER 21 1.404 2.509 -12.254
109 HA SER 21 HA SER 21 0.744 3.238 -14.962
110 HB2 SER 21 1HB SER 21 3.069 3.387 -15.338
111 HB3 SER 21 2HB SER 21 2.864 3.900 -13.664
112 HG SER 21 HG SER 21 4.132 2.328 -13.130
113 H GLN 22 H GLN 22 1.949 1.904 -16.738
114 HA GLN 22 HA GLN 22 0.684 -0.630 -16.850
115 HB2 GLN 22 1HB GLN 22 2.811 0.589 -18.617
116 HB3 GLN 22 2HB GLN 22 1.945 -0.898 -18.982
117 HG2 GLN 22 1HG GLN 22 -0.127 0.269 -19.167
118 HG3 GLN 22 2HG GLN 22 0.602 1.759 -18.570
119 HE21 GLN 22 2HE2 GLN 22 -0.302 0.065 -21.277
120 HE22 GLN 22 1HE2 GLN 22 0.600 0.941 -22.462
121 H TYR 23 H TYR 23 3.531 0.368 -15.381
122 HA TYR 23 HA TYR 23 4.722 -2.316 -15.547
123 HB2 TYR 23 1HB TYR 23 6.025 0.208 -14.517
124 HB3 TYR 23 2HB TYR 23 6.811 -1.323 -14.882
125 HD1 TYR 23 HD1 TYR 23 5.665 -1.993 -17.502
126 HD2 TYR 23 HD2 TYR 23 6.977 1.754 -15.972
127 HE1 TYR 23 HE1 TYR 23 6.111 -1.220 -19.794
128 HE2 TYR 23 HE2 TYR 23 7.426 2.538 -18.259
129 HH TYR 23 HH TYR 23 7.018 0.395 -21.049
130 H GLY 24 H GLY 24 2.520 -0.987 -13.738
131 HA2 GLY 24 1HA GLY 24 1.728 -1.519 -11.638
132 HA3 GLY 24 2HA GLY 24 3.114 -2.581 -11.440
133 H TYR 25 H TYR 25 3.892 0.619 -12.314
134 HA TYR 25 HA TYR 25 4.717 1.161 -9.542
135 HB2 TYR 25 1HB TYR 25 5.832 2.341 -12.094
136 HB3 TYR 25 2HB TYR 25 6.457 2.590 -10.467
137 HD1 TYR 25 HD2 TYR 25 6.443 -0.115 -9.356
138 HD2 TYR 25 HD1 TYR 25 7.498 1.216 -13.257
139 HE1 TYR 25 HE2 TYR 25 7.914 -2.069 -9.619
140 HE2 TYR 25 HE1 TYR 25 8.971 -0.735 -13.531
141 HH TYR 25 HH TYR 25 10.012 -2.615 -11.042
142 H CYS 26 H CYS 26 3.946 2.890 -8.496
143 HA CYS 26 HA CYS 26 1.779 4.368 -9.572
144 HB2 CYS 26 1HB CYS 26 3.402 4.613 -7.046
145 HB3 CYS 26 2HB CYS 26 2.126 5.761 -7.438
146 H GLY 27 H GLY 27 1.705 6.288 -10.581
147 HA2 GLY 27 1HA GLY 27 3.950 8.130 -10.423
148 HA3 GLY 27 2HA GLY 27 3.652 7.431 -12.008
149 H SER 28 H SER 28 3.546 10.155 -11.621
150 HA SER 28 HA SER 28 0.675 10.782 -11.568
151 HB2 SER 28 1HB SER 28 1.792 13.216 -11.619
152 HB3 SER 28 2HB SER 28 1.564 12.318 -10.118
153 HG SER 28 HG SER 28 3.921 12.605 -11.655
154 H GLY 29 H GLY 29 -0.227 12.139 -13.200
155 HA2 GLY 29 1HA GLY 29 0.116 13.374 -15.291
156 HA3 GLY 29 2HA GLY 29 1.328 12.173 -15.713
157 HA PRO 30 HA PRO 30 -2.811 10.948 -17.347
158 HB2 PRO 30 1HB PRO 30 -2.620 11.687 -19.971
159 HB3 PRO 30 2HB PRO 30 -3.442 12.652 -18.761
160 HG2 PRO 30 1HG PRO 30 -0.801 13.104 -20.010
161 HG3 PRO 30 2HG PRO 30 -1.814 14.241 -19.143
162 HD2 PRO 30 1HD PRO 30 0.539 12.935 -18.150
163 HD3 PRO 30 2HD PRO 30 -0.539 13.981 -17.248
164 H LYS 31 H LYS 31 0.369 10.597 -18.202
165 HA LYS 31 HA LYS 31 0.023 8.341 -19.941
166 HB2 LYS 31 1HB LYS 31 1.983 9.824 -20.108
167 HB3 LYS 31 2HB LYS 31 2.492 9.327 -18.499
168 HG2 LYS 31 1HG LYS 31 2.889 7.087 -19.247
169 HG3 LYS 31 2HG LYS 31 2.195 7.447 -20.830
170 HD2 LYS 31 1HD LYS 31 4.299 9.310 -20.186
171 HD3 LYS 31 2HD LYS 31 4.878 7.647 -20.067
172 HE2 LYS 31 1HE LYS 31 3.218 8.151 -22.418
173 HE3 LYS 31 2HE LYS 31 4.693 9.115 -22.376
174 HZ1 LYS 31 3HZ LYS 31 4.578 6.161 -22.093
175 HZ2 LYS 31 1HZ LYS 31 5.981 7.105 -22.120
176 HZ3 LYS 31 2HZ LYS 31 5.014 6.989 -23.502
177 H TYR 32 H TYR 32 -0.221 8.760 -16.630
178 HA TYR 32 HA TYR 32 0.316 5.901 -16.155
179 HB2 TYR 32 1HB TYR 32 0.715 8.268 -14.327
180 HB3 TYR 32 2HB TYR 32 0.683 6.609 -13.740
181 HD1 TYR 32 HD2 TYR 32 2.155 5.236 -15.926
182 HD2 TYR 32 HD1 TYR 32 2.928 8.932 -13.964
183 HE1 TYR 32 HE2 TYR 32 4.548 5.004 -16.444
184 HE2 TYR 32 HE1 TYR 32 5.323 8.711 -14.478
185 HH TYR 32 HH TYR 32 6.804 7.588 -15.906
186 H CYS 33 H CYS 33 -1.818 8.620 -15.634
187 HA CYS 33 HA CYS 33 -3.678 7.053 -14.048
188 HB2 CYS 33 1HB CYS 33 -3.586 9.912 -14.972
189 HB3 CYS 33 2HB CYS 33 -5.067 9.230 -14.307
190 H ALA 34 H ALA 34 -3.438 8.409 -17.294
191 HA ALA 34 HA ALA 34 -6.049 7.347 -18.023
192 HB1 ALA 34 1HB ALA 34 -4.279 8.541 -20.074
193 HB2 ALA 34 2HB ALA 34 -6.011 8.747 -19.807
194 HB3 ALA 34 3HB ALA 34 -4.853 9.602 -18.788
195 H HIS 35 H HIS 35 -4.397 5.305 -17.295
196 HA HIS 35 HA HIS 35 -4.332 3.734 -19.693
197 HB2 HIS 35 1HB HIS 35 -1.817 4.791 -18.506
198 HB3 HIS 35 2HB HIS 35 -1.813 3.113 -19.041
199 HD1 HIS 35 HD1 HIS 35 -0.514 5.938 -20.289
200 HD2 HIS 35 HD2 HIS 35 -3.432 3.423 -21.846
201 HE1 HIS 35 HE1 HIS 35 -0.502 6.350 -22.770
202 HE2 HIS 35 HE2 HIS 35 -2.334 4.880 -23.680
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