NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
564764 |
2lwb   |
18618 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 18 H1 ASN 18 1.808 0.001 0.855
2 HA ASN 18 HA ASN 18 2.515 -0.987 -1.370
3 HB2 ASN 18 HB2 ASN 18 1.745 0.824 -3.189
4 HB3 ASN 18 HB3 ASN 18 0.801 -0.620 -2.835
5 HD21 ASN 18 HD21 ASN 18 0.778 2.719 -3.020
6 HD22 ASN 18 HD22 ASN 18 -0.735 3.012 -2.239
7 H CYS 19 H CYS 19 1.924 2.523 -1.357
8 HA CYS 19 HA CYS 19 3.360 4.290 -1.469
9 HB2 CYS 19 HB2 CYS 19 3.662 3.380 0.911
10 HB3 CYS 19 HB3 CYS 19 5.176 2.694 0.329
11 H ASP 20 H ASP 20 3.716 2.113 -3.416
12 HA ASP 20 HA ASP 20 6.564 2.521 -4.054
13 HB2 ASP 20 HB2 ASP 20 5.294 0.115 -3.708
14 HB3 ASP 20 HB3 ASP 20 5.191 0.332 -5.453
15 H TRP 21 H TRP 21 3.655 3.684 -4.795
16 HA TRP 21 HA TRP 21 4.509 4.536 -7.429
17 HB2 TRP 21 HB2 TRP 21 2.155 3.938 -8.330
18 HB3 TRP 21 HB3 TRP 21 3.362 2.660 -8.220
19 HD1 TRP 21 HD1 TRP 21 0.774 4.045 -5.661
20 HE1 TRP 21 HE1 TRP 21 -0.465 2.035 -4.636
21 HE3 TRP 21 HE3 TRP 21 3.068 0.276 -8.243
22 HZ2 TRP 21 HZ2 TRP 21 -0.468 -0.777 -4.888
23 HZ3 TRP 21 HZ3 TRP 21 2.390 -2.046 -7.791
24 HH2 TRP 21 HH2 TRP 21 0.659 -2.559 -6.148
25 H ASP 22 H ASP 22 3.356 6.370 -8.208
26 HA ASP 22 HA ASP 22 1.292 7.553 -6.573
27 HB2 ASP 22 HB2 ASP 22 2.906 9.720 -6.595
28 HB3 ASP 22 HB3 ASP 22 2.802 8.599 -5.240
29 H LYS 23 H LYS 23 0.098 9.075 -7.660
30 HA LYS 23 HA LYS 23 -0.864 9.967 -9.532
31 HB2 LYS 23 HB2 LYS 23 1.964 10.861 -10.109
32 HB3 LYS 23 HB3 LYS 23 0.480 11.630 -10.654
33 HG2 LYS 23 HG2 LYS 23 0.588 11.378 -7.767
34 HG3 LYS 23 HG3 LYS 23 1.947 12.297 -8.419
35 HD2 LYS 23 HD2 LYS 23 -0.726 12.934 -9.513
36 HD3 LYS 23 HD3 LYS 23 -0.431 13.396 -7.835
37 HE2 LYS 23 HE2 LYS 23 0.326 15.273 -8.895
38 HE3 LYS 23 HE3 LYS 23 1.816 14.332 -8.852
39 HZ1 LYS 23 HZ1 LYS 23 1.057 15.425 -11.051
40 HZ2 LYS 23 HZ2 LYS 23 0.012 14.100 -11.164
41 HZ3 LYS 23 HZ3 LYS 23 1.683 13.853 -11.083
42 H SER 24 H SER 24 -0.730 7.431 -10.064
43 HA SER 24 HA SER 24 -0.556 7.232 -12.846
44 HB2 SER 24 HB2 SER 24 1.955 6.787 -11.458
45 HB3 SER 24 HB3 SER 24 1.453 5.354 -12.355
46 HG SER 24 HG SER 24 2.172 7.880 -13.281
47 H HIS 25 H HIS 25 -0.447 5.615 -9.741
48 HA HIS 25 HA HIS 25 -1.274 3.058 -10.613
49 HB2 HIS 25 HB2 HIS 25 -0.248 3.543 -8.390
50 HB3 HIS 25 HB3 HIS 25 -1.749 4.327 -7.909
51 HD1 HIS 25 HD1 HIS 25 -1.627 1.088 -9.829
52 HD2 HIS 25 HD2 HIS 25 -2.474 2.470 -6.004
53 HE1 HIS 25 HE1 HIS 25 -2.613 -0.876 -8.608
54 H GLU 26 H GLU 26 -3.311 2.072 -10.570
55 HA GLU 26 HA GLU 26 -5.456 3.675 -11.461
56 HB2 GLU 26 HB2 GLU 26 -6.699 1.679 -11.641
57 HB3 GLU 26 HB3 GLU 26 -5.034 1.213 -11.960
58 HG2 GLU 26 HG2 GLU 26 -4.997 0.684 -9.405
59 HG3 GLU 26 HG3 GLU 26 -6.748 0.619 -9.599
60 H LYS 27 H LYS 27 -4.468 2.603 -8.319
61 HA LYS 27 HA LYS 27 -6.998 3.521 -7.144
62 HB2 LYS 27 HB2 LYS 27 -4.738 1.884 -5.983
63 HB3 LYS 27 HB3 LYS 27 -6.127 2.438 -5.056
64 HG2 LYS 27 HG2 LYS 27 -7.615 1.153 -6.489
65 HG3 LYS 27 HG3 LYS 27 -6.238 0.619 -7.455
66 HD2 LYS 27 HD2 LYS 27 -6.147 0.146 -4.522
67 HD3 LYS 27 HD3 LYS 27 -7.234 -0.856 -5.487
68 HE2 LYS 27 HE2 LYS 27 -4.860 -0.809 -6.930
69 HE3 LYS 27 HE3 LYS 27 -4.348 -0.945 -5.249
70 HZ1 LYS 27 HZ1 LYS 27 -4.851 -3.083 -5.342
71 HZ2 LYS 27 HZ2 LYS 27 -5.447 -2.929 -6.917
72 HZ3 LYS 27 HZ3 LYS 27 -6.478 -2.694 -5.596
73 H TYR 28 H TYR 28 -4.012 4.695 -7.898
74 HA TYR 28 HA TYR 28 -3.097 6.044 -5.662
75 HB2 TYR 28 HB2 TYR 28 -1.592 6.783 -7.140
76 HB3 TYR 28 HB3 TYR 28 -2.543 6.050 -8.426
77 HD1 TYR 28 HD1 TYR 28 -2.083 9.182 -6.491
78 HD2 TYR 28 HD2 TYR 28 -3.659 7.386 -10.011
79 HE1 TYR 28 HE1 TYR 28 -2.531 11.414 -7.422
80 HE2 TYR 28 HE2 TYR 28 -4.111 9.613 -10.952
81 HH TYR 28 HH TYR 28 -4.235 11.820 -10.483
82 H ASP 29 H ASP 29 -3.442 8.096 -4.804
83 HA ASP 29 HA ASP 29 -5.893 9.467 -5.689
84 HB2 ASP 29 HB2 ASP 29 -5.195 8.399 -3.030
85 HB3 ASP 29 HB3 ASP 29 -5.832 10.041 -3.028
86 H TRP 30 H TRP 30 -5.774 11.636 -5.871
87 HA TRP 30 HA TRP 30 -3.301 12.920 -6.018
88 HB2 TRP 30 HB2 TRP 30 -5.773 13.545 -6.870
89 HB3 TRP 30 HB3 TRP 30 -5.685 14.601 -5.463
90 HD1 TRP 30 HD1 TRP 30 -4.974 14.660 -9.018
91 HE1 TRP 30 HE1 TRP 30 -3.342 16.555 -9.626
92 HE3 TRP 30 HE3 TRP 30 -3.258 15.787 -4.336
93 HZ2 TRP 30 HZ2 TRP 30 -1.562 18.296 -8.297
94 HZ3 TRP 30 HZ3 TRP 30 -1.591 17.580 -4.091
95 HH2 TRP 30 HH2 TRP 30 -0.761 18.807 -6.032
96 H GLU 31 H GLU 31 -5.873 13.658 -3.652
97 HA GLU 31 HA GLU 31 -4.104 15.058 -1.925
98 HB2 GLU 31 HB2 GLU 31 -6.920 14.043 -1.649
99 HB3 GLU 31 HB3 GLU 31 -6.083 14.771 -0.285
100 HG2 GLU 31 HG2 GLU 31 -5.651 16.743 -1.876
101 HG3 GLU 31 HG3 GLU 31 -6.926 16.030 -2.863
102 H LEU 32 H LEU 32 -5.640 11.856 -1.715
103 HA LEU 32 HA LEU 32 -4.519 11.089 0.732
104 HB2 LEU 32 HB2 LEU 32 -6.244 9.975 -1.092
105 HB3 LEU 32 HB3 LEU 32 -4.840 8.915 -1.190
106 HG LEU 32 HG LEU 32 -5.003 8.458 1.200
107 HD11 LEU 32 HD11 LEU 32 -5.861 10.336 2.227
108 HD12 LEU 32 HD12 LEU 32 -7.240 9.238 2.265
109 HD13 LEU 32 HD13 LEU 32 -7.164 10.515 1.051
110 HD21 LEU 32 HD21 LEU 32 -7.785 8.045 0.238
111 HD22 LEU 32 HD22 LEU 32 -6.674 6.914 1.011
112 HD23 LEU 32 HD23 LEU 32 -6.465 7.334 -0.690
113 H TRP 33 H TRP 33 -3.050 11.548 -2.283
114 HA TRP 33 HA TRP 33 -1.109 9.686 -2.580
115 HB2 TRP 33 HB2 TRP 33 -1.152 11.461 -4.138
116 HB3 TRP 33 HB3 TRP 33 -0.959 12.679 -2.880
117 HD1 TRP 33 HD1 TRP 33 1.017 10.430 -5.178
118 HE1 TRP 33 HE1 TRP 33 3.529 10.911 -4.891
119 HE3 TRP 33 HE3 TRP 33 0.804 13.420 -1.036
120 HZ2 TRP 33 HZ2 TRP 33 5.200 12.364 -3.141
121 HZ3 TRP 33 HZ3 TRP 33 2.905 14.314 -0.118
122 HH2 TRP 33 HH2 TRP 33 5.056 13.796 -1.150
123 H ASP 34 H ASP 34 -1.213 12.205 -0.130
124 HA ASP 34 HA ASP 34 1.317 12.204 0.886
125 HB2 ASP 34 HB2 ASP 34 -1.097 13.184 1.728
126 HB3 ASP 34 HB3 ASP 34 -0.734 12.002 2.983
127 H LYS 35 H LYS 35 -1.194 9.782 1.457
128 HA LYS 35 HA LYS 35 0.752 8.147 2.931
129 HB2 LYS 35 HB2 LYS 35 -1.300 6.789 3.542
130 HB3 LYS 35 HB3 LYS 35 -1.228 8.416 4.206
131 HG2 LYS 35 HG2 LYS 35 -2.942 9.179 2.891
132 HG3 LYS 35 HG3 LYS 35 -2.656 7.977 1.631
133 HD2 LYS 35 HD2 LYS 35 -3.652 7.229 4.368
134 HD3 LYS 35 HD3 LYS 35 -4.747 7.686 3.061
135 HE2 LYS 35 HE2 LYS 35 -4.528 5.703 2.057
136 HE3 LYS 35 HE3 LYS 35 -2.773 5.721 2.228
137 HZ1 LYS 35 HZ1 LYS 35 -3.079 4.097 3.696
138 HZ2 LYS 35 HZ2 LYS 35 -4.743 4.376 3.813
139 HZ3 LYS 35 HZ3 LYS 35 -3.666 5.277 4.757
140 H TRP 36 H TRP 36 -0.786 8.449 -0.075
141 HA TRP 36 HA TRP 36 -0.469 5.617 -0.732
142 HB2 TRP 36 HB2 TRP 36 -1.903 7.921 -1.986
143 HB3 TRP 36 HB3 TRP 36 -1.414 6.572 -3.008
144 HD1 TRP 36 HD1 TRP 36 -3.656 7.331 0.035
145 HE1 TRP 36 HE1 TRP 36 -5.473 5.513 0.169
146 HE3 TRP 36 HE3 TRP 36 -2.007 4.258 -3.703
147 HZ2 TRP 36 HZ2 TRP 36 -6.122 3.096 -1.137
148 HZ3 TRP 36 HZ3 TRP 36 -3.283 2.212 -4.197
149 HH2 TRP 36 HH2 TRP 36 -5.297 1.645 -2.939
150 H CYS 37 H CYS 37 1.787 7.531 -0.292
151 HA CYS 37 HA CYS 37 3.070 8.420 -2.522
152 HB2 CYS 37 HB2 CYS 37 5.224 7.728 -1.327
153 HB3 CYS 37 HB3 CYS 37 4.132 8.795 -0.449
Start of MODEL 2
1 H1 ASN 18 H1 ASN 18 0.578 -0.850 -0.769
2 HA ASN 18 HA ASN 18 2.695 -1.481 -2.208
3 HB2 ASN 18 HB2 ASN 18 1.916 0.521 -3.819
4 HB3 ASN 18 HB3 ASN 18 0.980 -0.957 -3.619
5 HD21 ASN 18 HD21 ASN 18 0.960 2.388 -3.409
6 HD22 ASN 18 HD22 ASN 18 -0.554 2.585 -2.600
7 H CYS 19 H CYS 19 2.141 2.018 -1.927
8 HA CYS 19 HA CYS 19 3.587 3.775 -1.857
9 HB2 CYS 19 HB2 CYS 19 3.941 2.480 0.408
10 HB3 CYS 19 HB3 CYS 19 5.522 2.122 -0.280
11 H ASP 20 H ASP 20 3.926 1.716 -3.969
12 HA ASP 20 HA ASP 20 6.756 2.223 -4.622
13 HB2 ASP 20 HB2 ASP 20 5.484 -0.228 -4.435
14 HB3 ASP 20 HB3 ASP 20 5.469 0.103 -6.165
15 H TRP 21 H TRP 21 3.890 3.466 -5.215
16 HA TRP 21 HA TRP 21 4.654 4.437 -7.825
17 HB2 TRP 21 HB2 TRP 21 2.286 3.884 -8.707
18 HB3 TRP 21 HB3 TRP 21 3.491 2.600 -8.687
19 HD1 TRP 21 HD1 TRP 21 0.909 3.862 -6.058
20 HE1 TRP 21 HE1 TRP 21 -0.297 1.801 -5.096
21 HE3 TRP 21 HE3 TRP 21 3.256 0.213 -8.761
22 HZ2 TRP 21 HZ2 TRP 21 -0.258 -1.000 -5.438
23 HZ3 TRP 21 HZ3 TRP 21 2.614 -2.132 -8.383
24 HH2 TRP 21 HH2 TRP 21 0.894 -2.724 -6.755
25 H ASP 22 H ASP 22 3.478 6.308 -8.472
26 HA ASP 22 HA ASP 22 1.458 7.391 -6.714
27 HB2 ASP 22 HB2 ASP 22 3.044 9.566 -6.654
28 HB3 ASP 22 HB3 ASP 22 3.026 8.354 -5.376
29 H LYS 23 H LYS 23 0.251 9.009 -7.662
30 HA LYS 23 HA LYS 23 -0.771 10.016 -9.440
31 HB2 LYS 23 HB2 LYS 23 2.053 10.848 -10.122
32 HB3 LYS 23 HB3 LYS 23 0.569 11.680 -10.569
33 HG2 LYS 23 HG2 LYS 23 0.804 11.315 -7.701
34 HG3 LYS 23 HG3 LYS 23 2.157 12.220 -8.383
35 HD2 LYS 23 HD2 LYS 23 -0.534 12.978 -9.337
36 HD3 LYS 23 HD3 LYS 23 -0.173 13.351 -7.650
37 HE2 LYS 23 HE2 LYS 23 0.543 15.262 -8.733
38 HE3 LYS 23 HE3 LYS 23 2.033 14.328 -8.609
39 HZ1 LYS 23 HZ1 LYS 23 1.529 15.371 -10.837
40 HZ2 LYS 23 HZ2 LYS 23 0.303 14.219 -11.008
41 HZ3 LYS 23 HZ3 LYS 23 1.913 13.723 -10.856
42 H SER 24 H SER 24 -0.734 7.495 -10.074
43 HA SER 24 HA SER 24 -0.740 7.397 -12.861
44 HB2 SER 24 HB2 SER 24 1.506 7.241 -13.217
45 HB3 SER 24 HB3 SER 24 1.829 6.652 -11.586
46 HG SER 24 HG SER 24 1.977 4.764 -12.475
47 H HIS 25 H HIS 25 -0.470 5.684 -9.825
48 HA HIS 25 HA HIS 25 -1.355 3.155 -10.729
49 HB2 HIS 25 HB2 HIS 25 -0.203 3.559 -8.556
50 HB3 HIS 25 HB3 HIS 25 -1.663 4.347 -7.966
51 HD1 HIS 25 HD1 HIS 25 -1.515 1.110 -9.926
52 HD2 HIS 25 HD2 HIS 25 -2.485 2.497 -6.132
53 HE1 HIS 25 HE1 HIS 25 -2.503 -0.864 -8.721
54 H GLU 26 H GLU 26 -3.407 2.152 -10.443
55 HA GLU 26 HA GLU 26 -5.589 3.784 -11.231
56 HB2 GLU 26 HB2 GLU 26 -6.853 1.799 -11.352
57 HB3 GLU 26 HB3 GLU 26 -5.214 1.321 -11.772
58 HG2 GLU 26 HG2 GLU 26 -4.897 0.563 -9.428
59 HG3 GLU 26 HG3 GLU 26 -6.601 0.908 -9.136
60 H LYS 27 H LYS 27 -4.497 2.516 -8.164
61 HA LYS 27 HA LYS 27 -6.918 3.454 -6.820
62 HB2 LYS 27 HB2 LYS 27 -4.533 1.904 -5.797
63 HB3 LYS 27 HB3 LYS 27 -5.902 2.387 -4.805
64 HG2 LYS 27 HG2 LYS 27 -7.389 1.051 -6.222
65 HG3 LYS 27 HG3 LYS 27 -6.000 0.549 -7.189
66 HD2 LYS 27 HD2 LYS 27 -5.887 0.131 -4.247
67 HD3 LYS 27 HD3 LYS 27 -6.923 -0.934 -5.199
68 HE2 LYS 27 HE2 LYS 27 -4.810 -1.154 -6.717
69 HE3 LYS 27 HE3 LYS 27 -3.955 -0.599 -5.279
70 HZ1 LYS 27 HZ1 LYS 27 -4.024 -2.664 -4.526
71 HZ2 LYS 27 HZ2 LYS 27 -4.940 -3.173 -5.854
72 HZ3 LYS 27 HZ3 LYS 27 -5.713 -2.591 -4.467
73 H TYR 28 H TYR 28 -3.989 4.688 -7.746
74 HA TYR 28 HA TYR 28 -3.033 6.088 -5.546
75 HB2 TYR 28 HB2 TYR 28 -1.545 6.730 -7.083
76 HB3 TYR 28 HB3 TYR 28 -2.567 6.059 -8.349
77 HD1 TYR 28 HD1 TYR 28 -1.939 9.133 -6.366
78 HD2 TYR 28 HD2 TYR 28 -3.664 7.465 -9.880
79 HE1 TYR 28 HE1 TYR 28 -2.331 11.398 -7.242
80 HE2 TYR 28 HE2 TYR 28 -4.060 9.725 -10.766
81 HH TYR 28 HH TYR 28 -4.255 12.312 -9.185
82 H ASP 29 H ASP 29 -3.404 8.135 -4.712
83 HA ASP 29 HA ASP 29 -5.855 9.487 -5.625
84 HB2 ASP 29 HB2 ASP 29 -5.124 8.526 -2.912
85 HB3 ASP 29 HB3 ASP 29 -5.900 10.104 -3.010
86 H TRP 30 H TRP 30 -5.692 11.628 -5.918
87 HA TRP 30 HA TRP 30 -3.219 12.912 -5.993
88 HB2 TRP 30 HB2 TRP 30 -5.644 13.503 -6.982
89 HB3 TRP 30 HB3 TRP 30 -5.632 14.600 -5.604
90 HD1 TRP 30 HD1 TRP 30 -4.734 14.554 -9.120
91 HE1 TRP 30 HE1 TRP 30 -3.086 16.443 -9.700
92 HE3 TRP 30 HE3 TRP 30 -3.283 15.844 -4.391
93 HZ2 TRP 30 HZ2 TRP 30 -1.393 18.242 -8.333
94 HZ3 TRP 30 HZ3 TRP 30 -1.645 17.660 -4.114
95 HH2 TRP 30 HH2 TRP 30 -0.720 18.832 -6.046
96 H GLU 31 H GLU 31 -5.893 13.708 -3.764
97 HA GLU 31 HA GLU 31 -4.195 15.169 -2.009
98 HB2 GLU 31 HB2 GLU 31 -7.009 14.121 -1.698
99 HB3 GLU 31 HB3 GLU 31 -6.204 15.097 -0.477
100 HG2 GLU 31 HG2 GLU 31 -6.993 16.883 -1.514
101 HG3 GLU 31 HG3 GLU 31 -5.880 16.526 -2.834
102 H LEU 32 H LEU 32 -5.799 12.003 -1.730
103 HA LEU 32 HA LEU 32 -4.811 11.304 0.781
104 HB2 LEU 32 HB2 LEU 32 -6.408 10.127 -1.130
105 HB3 LEU 32 HB3 LEU 32 -5.006 9.061 -1.069
106 HG LEU 32 HG LEU 32 -5.359 8.713 1.319
107 HD11 LEU 32 HD11 LEU 32 -7.554 10.711 0.908
108 HD12 LEU 32 HD12 LEU 32 -6.285 10.688 2.132
109 HD13 LEU 32 HD13 LEU 32 -7.616 9.535 2.222
110 HD21 LEU 32 HD21 LEU 32 -6.653 7.488 -0.616
111 HD22 LEU 32 HD22 LEU 32 -8.052 8.261 0.131
112 HD23 LEU 32 HD23 LEU 32 -7.035 7.173 1.077
113 H TRP 33 H TRP 33 -3.179 11.608 -2.189
114 HA TRP 33 HA TRP 33 -1.213 9.742 -2.242
115 HB2 TRP 33 HB2 TRP 33 -1.191 11.381 -3.942
116 HB3 TRP 33 HB3 TRP 33 -1.077 12.702 -2.782
117 HD1 TRP 33 HD1 TRP 33 1.040 10.299 -4.779
118 HE1 TRP 33 HE1 TRP 33 3.529 10.841 -4.407
119 HE3 TRP 33 HE3 TRP 33 0.580 13.621 -0.920
120 HZ2 TRP 33 HZ2 TRP 33 5.090 12.461 -2.702
121 HZ3 TRP 33 HZ3 TRP 33 2.620 14.621 0.025
122 HH2 TRP 33 HH2 TRP 33 4.827 14.052 -0.849
123 H ASP 34 H ASP 34 -1.486 12.425 0.005
124 HA ASP 34 HA ASP 34 0.989 12.570 1.137
125 HB2 ASP 34 HB2 ASP 34 -1.331 13.690 1.766
126 HB3 ASP 34 HB3 ASP 34 -1.337 12.437 3.004
127 H LYS 35 H LYS 35 -1.446 10.078 1.676
128 HA LYS 35 HA LYS 35 0.438 8.632 3.405
129 HB2 LYS 35 HB2 LYS 35 -1.599 7.205 3.918
130 HB3 LYS 35 HB3 LYS 35 -1.647 8.865 4.499
131 HG2 LYS 35 HG2 LYS 35 -3.257 9.496 2.981
132 HG3 LYS 35 HG3 LYS 35 -2.850 8.201 1.852
133 HD2 LYS 35 HD2 LYS 35 -4.029 7.649 4.562
134 HD3 LYS 35 HD3 LYS 35 -5.036 7.976 3.149
135 HE2 LYS 35 HE2 LYS 35 -4.706 5.928 2.320
136 HE3 LYS 35 HE3 LYS 35 -2.970 6.002 2.616
137 HZ1 LYS 35 HZ1 LYS 35 -4.722 5.631 4.925
138 HZ2 LYS 35 HZ2 LYS 35 -3.175 5.013 4.633
139 HZ3 LYS 35 HZ3 LYS 35 -4.521 4.314 3.882
140 H TRP 36 H TRP 36 -1.038 8.611 0.306
141 HA TRP 36 HA TRP 36 -0.498 5.792 -0.160
142 HB2 TRP 36 HB2 TRP 36 -1.860 7.974 -1.686
143 HB3 TRP 36 HB3 TRP 36 -1.260 6.569 -2.564
144 HD1 TRP 36 HD1 TRP 36 -3.729 7.442 0.277
145 HE1 TRP 36 HE1 TRP 36 -5.539 5.614 0.354
146 HE3 TRP 36 HE3 TRP 36 -1.815 4.258 -3.234
147 HZ2 TRP 36 HZ2 TRP 36 -6.083 3.148 -0.907
148 HZ3 TRP 36 HZ3 TRP 36 -3.041 2.186 -3.740
149 HH2 TRP 36 HH2 TRP 36 -5.130 1.643 -2.599
150 H CYS 37 H CYS 37 1.509 8.189 0.165
151 HA CYS 37 HA CYS 37 3.590 8.708 -0.590
152 HB2 CYS 37 HB2 CYS 37 3.540 6.139 -2.163
153 HB3 CYS 37 HB3 CYS 37 4.929 6.958 -1.457
Start of MODEL 3
1 H1 ASN 18 H1 ASN 18 1.572 0.347 -0.058
2 HA ASN 18 HA ASN 18 2.875 -1.318 -2.106
3 HB2 ASN 18 HB2 ASN 18 1.101 1.116 -2.399
4 HB3 ASN 18 HB3 ASN 18 1.919 0.316 -3.739
5 HD21 ASN 18 HD21 ASN 18 -0.753 0.574 -3.838
6 HD22 ASN 18 HD22 ASN 18 -1.523 -0.953 -3.598
7 H CYS 19 H CYS 19 2.580 2.203 -1.758
8 HA CYS 19 HA CYS 19 4.126 3.861 -2.028
9 HB2 CYS 19 HB2 CYS 19 4.759 2.359 0.217
10 HB3 CYS 19 HB3 CYS 19 6.295 2.504 -0.631
11 H ASP 20 H ASP 20 4.093 1.848 -4.100
12 HA ASP 20 HA ASP 20 6.902 1.995 -4.982
13 HB2 ASP 20 HB2 ASP 20 4.914 -0.202 -5.114
14 HB3 ASP 20 HB3 ASP 20 5.928 0.021 -6.537
15 H TRP 21 H TRP 21 3.981 3.358 -5.414
16 HA TRP 21 HA TRP 21 4.693 4.386 -8.012
17 HB2 TRP 21 HB2 TRP 21 2.315 3.831 -8.875
18 HB3 TRP 21 HB3 TRP 21 3.538 2.564 -8.911
19 HD1 TRP 21 HD1 TRP 21 0.940 3.718 -6.248
20 HE1 TRP 21 HE1 TRP 21 -0.206 1.612 -5.310
21 HE3 TRP 21 HE3 TRP 21 3.392 0.170 -8.993
22 HZ2 TRP 21 HZ2 TRP 21 -0.085 -1.183 -5.685
23 HZ3 TRP 21 HZ3 TRP 21 2.819 -2.197 -8.642
24 HH2 TRP 21 HH2 TRP 21 1.116 -2.858 -7.022
25 H ASP 22 H ASP 22 3.512 6.269 -8.590
26 HA ASP 22 HA ASP 22 1.492 7.286 -6.792
27 HB2 ASP 22 HB2 ASP 22 3.049 9.469 -6.666
28 HB3 ASP 22 HB3 ASP 22 3.075 8.207 -5.437
29 H LYS 23 H LYS 23 0.294 8.964 -7.670
30 HA LYS 23 HA LYS 23 -0.743 10.032 -9.402
31 HB2 LYS 23 HB2 LYS 23 2.085 10.811 -10.131
32 HB3 LYS 23 HB3 LYS 23 0.613 11.681 -10.542
33 HG2 LYS 23 HG2 LYS 23 0.890 11.273 -7.682
34 HG3 LYS 23 HG3 LYS 23 2.249 12.160 -8.378
35 HD2 LYS 23 HD2 LYS 23 -0.422 12.998 -9.299
36 HD3 LYS 23 HD3 LYS 23 -0.072 13.308 -7.596
37 HE2 LYS 23 HE2 LYS 23 0.607 15.241 -8.780
38 HE3 LYS 23 HE3 LYS 23 2.083 14.374 -8.358
39 HZ1 LYS 23 HZ1 LYS 23 0.880 13.773 -10.947
40 HZ2 LYS 23 HZ2 LYS 23 2.510 13.863 -10.507
41 HZ3 LYS 23 HZ3 LYS 23 1.629 15.281 -10.783
42 H SER 24 H SER 24 -0.731 7.498 -10.063
43 HA SER 24 HA SER 24 -0.846 7.445 -12.849
44 HB2 SER 24 HB2 SER 24 1.801 7.027 -11.832
45 HB3 SER 24 HB3 SER 24 1.223 5.524 -12.552
46 HG SER 24 HG SER 24 2.016 7.799 -13.763
47 H HIS 25 H HIS 25 -0.475 5.693 -9.849
48 HA HIS 25 HA HIS 25 -1.367 3.168 -10.740
49 HB2 HIS 25 HB2 HIS 25 -0.195 3.579 -8.579
50 HB3 HIS 25 HB3 HIS 25 -1.655 4.357 -7.974
51 HD1 HIS 25 HD1 HIS 25 -1.480 1.114 -9.927
52 HD2 HIS 25 HD2 HIS 25 -2.470 2.508 -6.140
53 HE1 HIS 25 HE1 HIS 25 -2.448 -0.864 -8.714
54 H GLU 26 H GLU 26 -3.409 2.147 -10.423
55 HA GLU 26 HA GLU 26 -5.611 3.759 -11.194
56 HB2 GLU 26 HB2 GLU 26 -6.862 1.763 -11.289
57 HB3 GLU 26 HB3 GLU 26 -5.225 1.297 -11.729
58 HG2 GLU 26 HG2 GLU 26 -4.859 0.515 -9.421
59 HG3 GLU 26 HG3 GLU 26 -6.536 0.910 -9.048
60 H LYS 27 H LYS 27 -4.486 2.498 -8.134
61 HA LYS 27 HA LYS 27 -6.895 3.432 -6.769
62 HB2 LYS 27 HB2 LYS 27 -4.489 1.905 -5.758
63 HB3 LYS 27 HB3 LYS 27 -5.860 2.375 -4.761
64 HG2 LYS 27 HG2 LYS 27 -7.336 1.027 -6.196
65 HG3 LYS 27 HG3 LYS 27 -5.928 0.516 -7.129
66 HD2 LYS 27 HD2 LYS 27 -5.906 0.140 -4.172
67 HD3 LYS 27 HD3 LYS 27 -6.866 -0.962 -5.162
68 HE2 LYS 27 HE2 LYS 27 -4.666 -1.112 -6.578
69 HE3 LYS 27 HE3 LYS 27 -3.910 -0.554 -5.086
70 HZ1 LYS 27 HZ1 LYS 27 -4.239 -2.517 -4.093
71 HZ2 LYS 27 HZ2 LYS 27 -4.418 -3.123 -5.662
72 HZ3 LYS 27 HZ3 LYS 27 -5.785 -2.726 -4.748
73 H TYR 28 H TYR 28 -3.991 4.686 -7.733
74 HA TYR 28 HA TYR 28 -3.027 6.101 -5.541
75 HB2 TYR 28 HB2 TYR 28 -1.543 6.724 -7.089
76 HB3 TYR 28 HB3 TYR 28 -2.573 6.055 -8.349
77 HD1 TYR 28 HD1 TYR 28 -1.927 9.130 -6.371
78 HD2 TYR 28 HD2 TYR 28 -3.669 7.465 -9.877
79 HE1 TYR 28 HE1 TYR 28 -2.313 11.395 -7.248
80 HE2 TYR 28 HE2 TYR 28 -4.059 9.725 -10.764
81 HH TYR 28 HH TYR 28 -3.620 12.560 -8.826
82 H ASP 29 H ASP 29 -3.402 8.156 -4.727
83 HA ASP 29 HA ASP 29 -5.851 9.500 -5.654
84 HB2 ASP 29 HB2 ASP 29 -5.138 8.552 -2.929
85 HB3 ASP 29 HB3 ASP 29 -5.934 10.119 -3.047
86 H TRP 30 H TRP 30 -5.678 11.636 -5.959
87 HA TRP 30 HA TRP 30 -3.203 12.919 -6.001
88 HB2 TRP 30 HB2 TRP 30 -5.613 13.505 -7.032
89 HB3 TRP 30 HB3 TRP 30 -5.619 14.613 -5.663
90 HD1 TRP 30 HD1 TRP 30 -4.675 14.540 -9.165
91 HE1 TRP 30 HE1 TRP 30 -3.011 16.418 -9.736
92 HE3 TRP 30 HE3 TRP 30 -3.277 15.854 -4.426
93 HZ2 TRP 30 HZ2 TRP 30 -1.328 18.218 -8.360
94 HZ3 TRP 30 HZ3 TRP 30 -1.634 17.664 -4.141
95 HH2 TRP 30 HH2 TRP 30 -0.681 18.820 -6.068
96 H GLU 31 H GLU 31 -5.916 13.733 -3.825
97 HA GLU 31 HA GLU 31 -4.253 15.206 -2.049
98 HB2 GLU 31 HB2 GLU 31 -7.065 14.143 -1.768
99 HB3 GLU 31 HB3 GLU 31 -6.283 15.143 -0.552
100 HG2 GLU 31 HG2 GLU 31 -5.917 16.809 -2.485
101 HG3 GLU 31 HG3 GLU 31 -7.161 15.875 -3.313
102 H LEU 32 H LEU 32 -5.848 12.034 -1.778
103 HA LEU 32 HA LEU 32 -4.896 11.354 0.753
104 HB2 LEU 32 HB2 LEU 32 -6.461 10.160 -1.173
105 HB3 LEU 32 HB3 LEU 32 -5.056 9.100 -1.088
106 HG LEU 32 HG LEU 32 -5.442 8.764 1.298
107 HD11 LEU 32 HD11 LEU 32 -7.472 10.879 0.853
108 HD12 LEU 32 HD12 LEU 32 -6.414 10.594 2.234
109 HD13 LEU 32 HD13 LEU 32 -7.853 9.600 2.007
110 HD21 LEU 32 HD21 LEU 32 -8.083 8.311 -0.035
111 HD22 LEU 32 HD22 LEU 32 -7.202 7.269 1.082
112 HD23 LEU 32 HD23 LEU 32 -6.642 7.453 -0.580
113 H TRP 33 H TRP 33 -3.222 11.641 -2.197
114 HA TRP 33 HA TRP 33 -1.249 9.784 -2.211
115 HB2 TRP 33 HB2 TRP 33 -1.213 11.423 -3.915
116 HB3 TRP 33 HB3 TRP 33 -1.106 12.744 -2.755
117 HD1 TRP 33 HD1 TRP 33 1.024 10.330 -4.725
118 HE1 TRP 33 HE1 TRP 33 3.510 10.864 -4.329
119 HE3 TRP 33 HE3 TRP 33 0.534 13.663 -0.880
120 HZ2 TRP 33 HZ2 TRP 33 5.059 12.484 -2.613
121 HZ3 TRP 33 HZ3 TRP 33 2.568 14.659 0.083
122 HH2 TRP 33 HH2 TRP 33 4.782 14.080 -0.766
123 H ASP 34 H ASP 34 -1.552 12.487 0.013
124 HA ASP 34 HA ASP 34 0.906 12.626 1.183
125 HB2 ASP 34 HB2 ASP 34 -1.769 13.329 1.919
126 HB3 ASP 34 HB3 ASP 34 -0.960 12.638 3.323
127 H LYS 35 H LYS 35 -1.578 10.182 1.751
128 HA LYS 35 HA LYS 35 0.271 8.732 3.513
129 HB2 LYS 35 HB2 LYS 35 -1.786 7.339 4.022
130 HB3 LYS 35 HB3 LYS 35 -1.831 9.010 4.568
131 HG2 LYS 35 HG2 LYS 35 -3.417 9.617 3.019
132 HG3 LYS 35 HG3 LYS 35 -2.992 8.309 1.914
133 HD2 LYS 35 HD2 LYS 35 -4.227 7.798 4.608
134 HD3 LYS 35 HD3 LYS 35 -5.201 8.097 3.167
135 HE2 LYS 35 HE2 LYS 35 -4.854 6.032 2.390
136 HE3 LYS 35 HE3 LYS 35 -3.123 6.119 2.712
137 HZ1 LYS 35 HZ1 LYS 35 -3.706 5.687 5.099
138 HZ2 LYS 35 HZ2 LYS 35 -3.972 4.392 4.045
139 HZ3 LYS 35 HZ3 LYS 35 -5.276 5.325 4.585
140 H TRP 36 H TRP 36 -1.096 8.709 0.379
141 HA TRP 36 HA TRP 36 -0.600 5.868 -0.035
142 HB2 TRP 36 HB2 TRP 36 -1.929 8.040 -1.602
143 HB3 TRP 36 HB3 TRP 36 -1.312 6.633 -2.464
144 HD1 TRP 36 HD1 TRP 36 -3.831 7.512 0.331
145 HE1 TRP 36 HE1 TRP 36 -5.640 5.683 0.381
146 HE3 TRP 36 HE3 TRP 36 -1.854 4.321 -3.139
147 HZ2 TRP 36 HZ2 TRP 36 -6.161 3.213 -0.883
148 HZ3 TRP 36 HZ3 TRP 36 -3.070 2.246 -3.661
149 HH2 TRP 36 HH2 TRP 36 -5.178 1.705 -2.554
150 H CYS 37 H CYS 37 1.455 8.175 0.341
151 HA CYS 37 HA CYS 37 3.588 8.581 -0.336
152 HB2 CYS 37 HB2 CYS 37 3.331 6.174 -2.140
153 HB3 CYS 37 HB3 CYS 37 4.804 6.860 -1.460
Start of MODEL 4
1 H1 ASN 18 H1 ASN 18 1.728 0.438 -0.165
2 HA ASN 18 HA ASN 18 2.810 -1.412 -2.083
3 HB2 ASN 18 HB2 ASN 18 1.842 0.925 -3.542
4 HB3 ASN 18 HB3 ASN 18 1.740 -0.783 -3.961
5 HD21 ASN 18 HD21 ASN 18 -0.164 -1.761 -3.824
6 HD22 ASN 18 HD22 ASN 18 -1.583 -1.090 -3.100
7 H CYS 19 H CYS 19 2.402 2.128 -1.896
8 HA CYS 19 HA CYS 19 3.922 3.825 -1.953
9 HB2 CYS 19 HB2 CYS 19 4.426 2.286 0.265
10 HB3 CYS 19 HB3 CYS 19 6.012 2.364 -0.497
11 H ASP 20 H ASP 20 4.067 1.801 -4.074
12 HA ASP 20 HA ASP 20 6.896 2.136 -4.832
13 HB2 ASP 20 HB2 ASP 20 5.081 -0.183 -5.014
14 HB3 ASP 20 HB3 ASP 20 6.037 0.130 -6.460
15 H TRP 21 H TRP 21 3.987 3.417 -5.348
16 HA TRP 21 HA TRP 21 4.729 4.442 -7.941
17 HB2 TRP 21 HB2 TRP 21 2.362 3.864 -8.827
18 HB3 TRP 21 HB3 TRP 21 3.600 2.612 -8.851
19 HD1 TRP 21 HD1 TRP 21 0.993 3.733 -6.182
20 HE1 TRP 21 HE1 TRP 21 -0.147 1.615 -5.266
21 HE3 TRP 21 HE3 TRP 21 3.443 0.220 -8.974
22 HZ2 TRP 21 HZ2 TRP 21 -0.023 -1.175 -5.672
23 HZ3 TRP 21 HZ3 TRP 21 2.873 -2.151 -8.649
24 HH2 TRP 21 HH2 TRP 21 1.176 -2.833 -7.031
25 H ASP 22 H ASP 22 3.530 6.308 -8.549
26 HA ASP 22 HA ASP 22 1.485 7.320 -6.776
27 HB2 ASP 22 HB2 ASP 22 3.010 9.519 -6.644
28 HB3 ASP 22 HB3 ASP 22 3.057 8.258 -5.415
29 H LYS 23 H LYS 23 0.284 8.990 -7.672
30 HA LYS 23 HA LYS 23 -0.750 10.031 -9.423
31 HB2 LYS 23 HB2 LYS 23 2.075 10.830 -10.139
32 HB3 LYS 23 HB3 LYS 23 0.597 11.686 -10.561
33 HG2 LYS 23 HG2 LYS 23 0.864 11.296 -7.698
34 HG3 LYS 23 HG3 LYS 23 2.220 12.189 -8.392
35 HD2 LYS 23 HD2 LYS 23 -0.450 13.003 -9.333
36 HD3 LYS 23 HD3 LYS 23 -0.116 13.322 -7.629
37 HE2 LYS 23 HE2 LYS 23 0.558 15.255 -8.817
38 HE3 LYS 23 HE3 LYS 23 2.036 14.402 -8.377
39 HZ1 LYS 23 HZ1 LYS 23 1.514 15.286 -10.832
40 HZ2 LYS 23 HZ2 LYS 23 0.909 13.712 -10.959
41 HZ3 LYS 23 HZ3 LYS 23 2.521 13.965 -10.513
42 H SER 24 H SER 24 -0.713 7.493 -10.064
43 HA SER 24 HA SER 24 -0.801 7.419 -12.851
44 HB2 SER 24 HB2 SER 24 1.838 7.060 -11.829
45 HB3 SER 24 HB3 SER 24 1.290 5.516 -12.482
46 HG SER 24 HG SER 24 0.642 6.812 -14.382
47 H HIS 25 H HIS 25 -0.445 5.690 -9.836
48 HA HIS 25 HA HIS 25 -1.315 3.155 -10.719
49 HB2 HIS 25 HB2 HIS 25 -0.157 3.583 -8.554
50 HB3 HIS 25 HB3 HIS 25 -1.624 4.356 -7.960
51 HD1 HIS 25 HD1 HIS 25 -1.442 1.110 -9.903
52 HD2 HIS 25 HD2 HIS 25 -2.417 2.507 -6.114
53 HE1 HIS 25 HE1 HIS 25 -2.399 -0.869 -8.683
54 H GLU 26 H GLU 26 -3.352 2.125 -10.418
55 HA GLU 26 HA GLU 26 -5.560 3.722 -11.203
56 HB2 GLU 26 HB2 GLU 26 -6.799 1.719 -11.301
57 HB3 GLU 26 HB3 GLU 26 -5.157 1.263 -11.732
58 HG2 GLU 26 HG2 GLU 26 -4.807 0.513 -9.395
59 HG3 GLU 26 HG3 GLU 26 -6.506 0.852 -9.075
60 H LYS 27 H LYS 27 -4.439 2.483 -8.134
61 HA LYS 27 HA LYS 27 -6.863 3.403 -6.784
62 HB2 LYS 27 HB2 LYS 27 -4.456 1.886 -5.763
63 HB3 LYS 27 HB3 LYS 27 -5.827 2.359 -4.767
64 HG2 LYS 27 HG2 LYS 27 -7.303 1.005 -6.195
65 HG3 LYS 27 HG3 LYS 27 -5.896 0.493 -7.130
66 HD2 LYS 27 HD2 LYS 27 -5.872 0.124 -4.172
67 HD3 LYS 27 HD3 LYS 27 -6.828 -0.983 -5.160
68 HE2 LYS 27 HE2 LYS 27 -4.584 -1.061 -6.570
69 HE3 LYS 27 HE3 LYS 27 -3.883 -0.612 -5.015
70 HZ1 LYS 27 HZ1 LYS 27 -4.291 -2.626 -4.159
71 HZ2 LYS 27 HZ2 LYS 27 -4.392 -3.129 -5.771
72 HZ3 LYS 27 HZ3 LYS 27 -5.802 -2.773 -4.906
73 H TYR 28 H TYR 28 -3.968 4.676 -7.740
74 HA TYR 28 HA TYR 28 -3.019 6.099 -5.544
75 HB2 TYR 28 HB2 TYR 28 -1.531 6.730 -7.085
76 HB3 TYR 28 HB3 TYR 28 -2.549 6.048 -8.349
77 HD1 TYR 28 HD1 TYR 28 -1.941 9.135 -6.379
78 HD2 TYR 28 HD2 TYR 28 -3.642 7.442 -9.892
79 HE1 TYR 28 HE1 TYR 28 -2.339 11.394 -7.267
80 HE2 TYR 28 HE2 TYR 28 -4.044 9.696 -10.790
81 HH TYR 28 HH TYR 28 -4.123 11.905 -10.255
82 H ASP 29 H ASP 29 -3.412 8.151 -4.734
83 HA ASP 29 HA ASP 29 -5.865 9.478 -5.675
84 HB2 ASP 29 HB2 ASP 29 -5.152 8.547 -2.944
85 HB3 ASP 29 HB3 ASP 29 -5.959 10.107 -3.071
86 H TRP 30 H TRP 30 -5.706 11.615 -5.986
87 HA TRP 30 HA TRP 30 -3.240 12.914 -6.029
88 HB2 TRP 30 HB2 TRP 30 -5.653 13.481 -7.064
89 HB3 TRP 30 HB3 TRP 30 -5.667 14.593 -5.697
90 HD1 TRP 30 HD1 TRP 30 -4.720 14.516 -9.198
91 HE1 TRP 30 HE1 TRP 30 -3.068 16.404 -9.774
92 HE3 TRP 30 HE3 TRP 30 -3.334 15.853 -4.462
93 HZ2 TRP 30 HZ2 TRP 30 -1.397 18.219 -8.402
94 HZ3 TRP 30 HZ3 TRP 30 -1.703 17.674 -4.181
95 HH2 TRP 30 HH2 TRP 30 -0.756 18.831 -6.111
96 H GLU 31 H GLU 31 -5.959 13.719 -3.858
97 HA GLU 31 HA GLU 31 -4.305 15.204 -2.085
98 HB2 GLU 31 HB2 GLU 31 -7.144 14.404 -2.217
99 HB3 GLU 31 HB3 GLU 31 -6.514 14.678 -0.598
100 HG2 GLU 31 HG2 GLU 31 -5.954 16.720 -2.676
101 HG3 GLU 31 HG3 GLU 31 -7.590 16.614 -2.029
102 H LEU 32 H LEU 32 -5.891 12.029 -1.805
103 HA LEU 32 HA LEU 32 -4.942 11.359 0.729
104 HB2 LEU 32 HB2 LEU 32 -6.494 10.153 -1.200
105 HB3 LEU 32 HB3 LEU 32 -5.085 9.098 -1.104
106 HG LEU 32 HG LEU 32 -5.480 8.769 1.280
107 HD11 LEU 32 HD11 LEU 32 -6.463 10.604 2.200
108 HD12 LEU 32 HD12 LEU 32 -7.894 9.598 1.981
109 HD13 LEU 32 HD13 LEU 32 -7.525 10.870 0.817
110 HD21 LEU 32 HD21 LEU 32 -8.097 8.306 -0.110
111 HD22 LEU 32 HD22 LEU 32 -7.276 7.292 1.077
112 HD23 LEU 32 HD23 LEU 32 -6.643 7.418 -0.565
113 H TRP 33 H TRP 33 -3.260 11.643 -2.217
114 HA TRP 33 HA TRP 33 -1.279 9.796 -2.217
115 HB2 TRP 33 HB2 TRP 33 -1.245 11.427 -3.928
116 HB3 TRP 33 HB3 TRP 33 -1.147 12.753 -2.774
117 HD1 TRP 33 HD1 TRP 33 0.998 10.341 -4.728
118 HE1 TRP 33 HE1 TRP 33 3.481 10.888 -4.328
119 HE3 TRP 33 HE3 TRP 33 0.483 13.688 -0.899
120 HZ2 TRP 33 HZ2 TRP 33 5.018 12.522 -2.614
121 HZ3 TRP 33 HZ3 TRP 33 2.510 14.697 0.066
122 HH2 TRP 33 HH2 TRP 33 4.729 14.124 -0.775
123 H ASP 34 H ASP 34 -1.602 12.507 -0.006
124 HA ASP 34 HA ASP 34 0.852 12.663 1.170
125 HB2 ASP 34 HB2 ASP 34 -1.908 13.141 2.051
126 HB3 ASP 34 HB3 ASP 34 -0.786 12.808 3.368
127 H LYS 35 H LYS 35 -1.621 10.209 1.742
128 HA LYS 35 HA LYS 35 0.229 8.777 3.517
129 HB2 LYS 35 HB2 LYS 35 -1.821 7.374 4.024
130 HB3 LYS 35 HB3 LYS 35 -1.879 9.047 4.562
131 HG2 LYS 35 HG2 LYS 35 -3.462 9.638 3.004
132 HG3 LYS 35 HG3 LYS 35 -3.024 8.327 1.906
133 HD2 LYS 35 HD2 LYS 35 -4.266 7.818 4.597
134 HD3 LYS 35 HD3 LYS 35 -5.238 8.108 3.152
135 HE2 LYS 35 HE2 LYS 35 -4.872 6.045 2.376
136 HE3 LYS 35 HE3 LYS 35 -3.145 6.139 2.713
137 HZ1 LYS 35 HZ1 LYS 35 -4.505 4.405 3.959
138 HZ2 LYS 35 HZ2 LYS 35 -5.106 5.693 4.876
139 HZ3 LYS 35 HZ3 LYS 35 -3.447 5.362 4.870
140 H TRP 36 H TRP 36 -1.124 8.733 0.378
141 HA TRP 36 HA TRP 36 -0.611 5.893 -0.022
142 HB2 TRP 36 HB2 TRP 36 -1.944 8.051 -1.604
143 HB3 TRP 36 HB3 TRP 36 -1.315 6.645 -2.458
144 HD1 TRP 36 HD1 TRP 36 -3.850 7.517 0.325
145 HE1 TRP 36 HE1 TRP 36 -5.650 5.678 0.372
146 HE3 TRP 36 HE3 TRP 36 -1.843 4.329 -3.131
147 HZ2 TRP 36 HZ2 TRP 36 -6.152 3.203 -0.888
148 HZ3 TRP 36 HZ3 TRP 36 -3.046 2.247 -3.652
149 HH2 TRP 36 HH2 TRP 36 -5.155 1.697 -2.553
150 H CYS 37 H CYS 37 1.428 8.217 0.351
151 HA CYS 37 HA CYS 37 3.562 8.634 -0.319
152 HB2 CYS 37 HB2 CYS 37 3.334 6.211 -2.105
153 HB3 CYS 37 HB3 CYS 37 4.796 6.912 -1.420
Start of MODEL 5
1 H1 ASN 18 H1 ASN 18 1.671 0.460 0.288
2 HA ASN 18 HA ASN 18 1.842 0.284 -2.302
3 HB2 ASN 18 HB2 ASN 18 -0.242 2.447 -1.962
4 HB3 ASN 18 HB3 ASN 18 0.402 1.813 -3.474
5 HD21 ASN 18 HD21 ASN 18 0.143 -0.662 -3.631
6 HD22 ASN 18 HD22 ASN 18 -1.425 -1.263 -3.228
7 H CYS 19 H CYS 19 3.802 1.141 -2.447
8 HA CYS 19 HA CYS 19 4.174 3.978 -2.010
9 HB2 CYS 19 HB2 CYS 19 4.780 2.237 0.080
10 HB3 CYS 19 HB3 CYS 19 6.334 2.553 -0.685
11 H ASP 20 H ASP 20 4.355 1.819 -4.129
12 HA ASP 20 HA ASP 20 7.139 2.301 -4.964
13 HB2 ASP 20 HB2 ASP 20 5.415 -0.058 -5.078
14 HB3 ASP 20 HB3 ASP 20 6.174 0.315 -6.623
15 H TRP 21 H TRP 21 3.950 3.147 -5.551
16 HA TRP 21 HA TRP 21 4.703 4.347 -8.113
17 HB2 TRP 21 HB2 TRP 21 2.339 3.759 -8.932
18 HB3 TRP 21 HB3 TRP 21 3.537 2.468 -8.913
19 HD1 TRP 21 HD1 TRP 21 0.938 3.791 -6.331
20 HE1 TRP 21 HE1 TRP 21 -0.235 1.751 -5.288
21 HE3 TRP 21 HE3 TRP 21 3.385 0.075 -8.848
22 HZ2 TRP 21 HZ2 TRP 21 -0.135 -1.062 -5.504
23 HZ3 TRP 21 HZ3 TRP 21 2.787 -2.264 -8.370
24 HH2 TRP 21 HH2 TRP 21 1.064 -2.818 -6.732
25 H ASP 22 H ASP 22 3.528 6.229 -8.660
26 HA ASP 22 HA ASP 22 1.527 7.249 -6.843
27 HB2 ASP 22 HB2 ASP 22 3.087 9.431 -6.731
28 HB3 ASP 22 HB3 ASP 22 3.123 8.170 -5.502
29 H LYS 23 H LYS 23 0.316 8.918 -7.714
30 HA LYS 23 HA LYS 23 -0.737 9.981 -9.439
31 HB2 LYS 23 HB2 LYS 23 2.081 10.781 -10.182
32 HB3 LYS 23 HB3 LYS 23 0.600 11.644 -10.578
33 HG2 LYS 23 HG2 LYS 23 0.900 11.225 -7.723
34 HG3 LYS 23 HG3 LYS 23 2.250 12.122 -8.424
35 HD2 LYS 23 HD2 LYS 23 -0.441 12.944 -9.311
36 HD3 LYS 23 HD3 LYS 23 -0.059 13.264 -7.618
37 HE2 LYS 23 HE2 LYS 23 0.621 15.197 -8.751
38 HE3 LYS 23 HE3 LYS 23 2.111 14.293 -8.484
39 HZ1 LYS 23 HZ1 LYS 23 0.739 13.736 -10.977
40 HZ2 LYS 23 HZ2 LYS 23 2.390 13.937 -10.671
41 HZ3 LYS 23 HZ3 LYS 23 1.391 15.292 -10.844
42 H SER 24 H SER 24 -0.729 7.457 -10.112
43 HA SER 24 HA SER 24 -0.845 7.411 -12.897
44 HB2 SER 24 HB2 SER 24 1.802 7.090 -11.956
45 HB3 SER 24 HB3 SER 24 1.266 5.500 -12.498
46 HG SER 24 HG SER 24 1.561 7.877 -13.954
47 H HIS 25 H HIS 25 -0.469 5.652 -9.903
48 HA HIS 25 HA HIS 25 -1.361 3.129 -10.803
49 HB2 HIS 25 HB2 HIS 25 -0.178 3.531 -8.646
50 HB3 HIS 25 HB3 HIS 25 -1.635 4.302 -8.028
51 HD1 HIS 25 HD1 HIS 25 -1.438 1.064 -9.991
52 HD2 HIS 25 HD2 HIS 25 -2.463 2.449 -6.211
53 HE1 HIS 25 HE1 HIS 25 -2.401 -0.921 -8.787
54 H GLU 26 H GLU 26 -3.403 2.104 -10.460
55 HA GLU 26 HA GLU 26 -5.610 3.719 -11.218
56 HB2 GLU 26 HB2 GLU 26 -6.859 1.724 -11.317
57 HB3 GLU 26 HB3 GLU 26 -5.223 1.257 -11.760
58 HG2 GLU 26 HG2 GLU 26 -4.846 0.436 -9.487
59 HG3 GLU 26 HG3 GLU 26 -6.494 0.890 -9.056
60 H LYS 27 H LYS 27 -4.472 2.434 -8.170
61 HA LYS 27 HA LYS 27 -6.870 3.366 -6.786
62 HB2 LYS 27 HB2 LYS 27 -4.454 1.847 -5.787
63 HB3 LYS 27 HB3 LYS 27 -5.830 2.301 -4.791
64 HG2 LYS 27 HG2 LYS 27 -7.292 0.952 -6.247
65 HG3 LYS 27 HG3 LYS 27 -5.870 0.447 -7.163
66 HD2 LYS 27 HD2 LYS 27 -5.864 0.074 -4.209
67 HD3 LYS 27 HD3 LYS 27 -6.833 -1.024 -5.193
68 HE2 LYS 27 HE2 LYS 27 -4.538 -1.047 -6.594
69 HE3 LYS 27 HE3 LYS 27 -3.900 -0.743 -4.979
70 HZ1 LYS 27 HZ1 LYS 27 -5.115 -3.132 -6.065
71 HZ2 LYS 27 HZ2 LYS 27 -5.640 -2.723 -4.510
72 HZ3 LYS 27 HZ3 LYS 27 -3.993 -2.961 -4.811
73 H TYR 28 H TYR 28 -3.967 4.623 -7.760
74 HA TYR 28 HA TYR 28 -2.994 6.034 -5.571
75 HB2 TYR 28 HB2 TYR 28 -1.520 6.660 -7.128
76 HB3 TYR 28 HB3 TYR 28 -2.562 6.001 -8.384
77 HD1 TYR 28 HD1 TYR 28 -1.890 9.062 -6.394
78 HD2 TYR 28 HD2 TYR 28 -3.672 7.423 -9.892
79 HE1 TYR 28 HE1 TYR 28 -2.278 11.334 -7.253
80 HE2 TYR 28 HE2 TYR 28 -4.065 9.690 -10.761
81 HH TYR 28 HH TYR 28 -4.207 12.281 -9.140
82 H ASP 29 H ASP 29 -3.364 8.088 -4.750
83 HA ASP 29 HA ASP 29 -5.823 9.429 -5.653
84 HB2 ASP 29 HB2 ASP 29 -5.077 8.492 -2.930
85 HB3 ASP 29 HB3 ASP 29 -5.899 10.045 -3.052
86 H TRP 30 H TRP 30 -5.651 11.564 -5.966
87 HA TRP 30 HA TRP 30 -3.178 12.850 -6.017
88 HB2 TRP 30 HB2 TRP 30 -5.589 13.431 -7.045
89 HB3 TRP 30 HB3 TRP 30 -5.598 14.538 -5.675
90 HD1 TRP 30 HD1 TRP 30 -4.652 14.466 -9.178
91 HE1 TRP 30 HE1 TRP 30 -2.997 16.352 -9.749
92 HE3 TRP 30 HE3 TRP 30 -3.266 15.793 -4.439
93 HZ2 TRP 30 HZ2 TRP 30 -1.325 18.163 -8.374
94 HZ3 TRP 30 HZ3 TRP 30 -1.633 17.611 -4.154
95 HH2 TRP 30 HH2 TRP 30 -0.683 18.770 -6.082
96 H GLU 31 H GLU 31 -5.885 13.660 -3.833
97 HA GLU 31 HA GLU 31 -4.219 15.139 -2.065
98 HB2 GLU 31 HB2 GLU 31 -7.057 14.182 -1.988
99 HB3 GLU 31 HB3 GLU 31 -6.322 14.849 -0.537
100 HG2 GLU 31 HG2 GLU 31 -5.686 16.832 -2.083
101 HG3 GLU 31 HG3 GLU 31 -6.959 16.193 -3.122
102 H LEU 32 H LEU 32 -5.813 11.968 -1.780
103 HA LEU 32 HA LEU 32 -4.855 11.291 0.746
104 HB2 LEU 32 HB2 LEU 32 -6.414 10.090 -1.181
105 HB3 LEU 32 HB3 LEU 32 -5.006 9.034 -1.090
106 HG LEU 32 HG LEU 32 -5.395 8.701 1.295
107 HD11 LEU 32 HD11 LEU 32 -7.113 10.984 0.949
108 HD12 LEU 32 HD12 LEU 32 -6.512 10.244 2.432
109 HD13 LEU 32 HD13 LEU 32 -7.992 9.643 1.684
110 HD21 LEU 32 HD21 LEU 32 -6.582 7.376 -0.575
111 HD22 LEU 32 HD22 LEU 32 -8.029 8.239 -0.056
112 HD23 LEU 32 HD23 LEU 32 -7.162 7.207 1.082
113 H TRP 33 H TRP 33 -3.185 11.572 -2.208
114 HA TRP 33 HA TRP 33 -1.204 9.723 -2.211
115 HB2 TRP 33 HB2 TRP 33 -1.177 11.347 -3.929
116 HB3 TRP 33 HB3 TRP 33 -1.075 12.678 -2.780
117 HD1 TRP 33 HD1 TRP 33 1.064 10.260 -4.734
118 HE1 TRP 33 HE1 TRP 33 3.548 10.810 -4.345
119 HE3 TRP 33 HE3 TRP 33 0.562 13.619 -0.913
120 HZ2 TRP 33 HZ2 TRP 33 5.091 12.450 -2.643
121 HZ3 TRP 33 HZ3 TRP 33 2.592 14.633 0.040
122 HH2 TRP 33 HH2 TRP 33 4.808 14.059 -0.808
123 H ASP 34 H ASP 34 -1.524 12.434 -0.003
124 HA ASP 34 HA ASP 34 0.934 12.605 1.162
125 HB2 ASP 34 HB2 ASP 34 -0.748 14.075 1.939
126 HB3 ASP 34 HB3 ASP 34 -1.811 12.746 2.395
127 H LYS 35 H LYS 35 -1.514 10.128 1.736
128 HA LYS 35 HA LYS 35 0.362 8.705 3.492
129 HB2 LYS 35 HB2 LYS 35 -1.686 7.290 4.012
130 HB3 LYS 35 HB3 LYS 35 -1.721 8.954 4.579
131 HG2 LYS 35 HG2 LYS 35 -3.327 9.584 3.060
132 HG3 LYS 35 HG3 LYS 35 -2.922 8.286 1.933
133 HD2 LYS 35 HD2 LYS 35 -4.133 7.769 4.639
134 HD3 LYS 35 HD3 LYS 35 -5.111 8.051 3.197
135 HE2 LYS 35 HE2 LYS 35 -4.755 5.982 2.439
136 HE3 LYS 35 HE3 LYS 35 -3.022 6.085 2.747
137 HZ1 LYS 35 HZ1 LYS 35 -4.411 5.873 5.192
138 HZ2 LYS 35 HZ2 LYS 35 -3.268 4.818 4.528
139 HZ3 LYS 35 HZ3 LYS 35 -4.909 4.625 4.163
140 H TRP 36 H TRP 36 -1.037 8.659 0.374
141 HA TRP 36 HA TRP 36 -0.537 5.822 -0.039
142 HB2 TRP 36 HB2 TRP 36 -1.864 7.993 -1.603
143 HB3 TRP 36 HB3 TRP 36 -1.243 6.593 -2.471
144 HD1 TRP 36 HD1 TRP 36 -3.723 7.409 0.387
145 HE1 TRP 36 HE1 TRP 36 -5.544 5.590 0.403
146 HE3 TRP 36 HE3 TRP 36 -1.839 4.341 -3.243
147 HZ2 TRP 36 HZ2 TRP 36 -6.108 3.175 -0.945
148 HZ3 TRP 36 HZ3 TRP 36 -3.080 2.297 -3.820
149 HH2 TRP 36 HH2 TRP 36 -5.170 1.727 -2.693
150 H CYS 37 H CYS 37 1.502 8.178 0.300
151 HA CYS 37 HA CYS 37 3.630 8.595 -0.386
152 HB2 CYS 37 HB2 CYS 37 3.417 6.114 -2.092
153 HB3 CYS 37 HB3 CYS 37 4.877 6.850 -1.440
Start of MODEL 6
1 H1 ASN 18 H1 ASN 18 1.269 -0.450 -0.236
2 HA ASN 18 HA ASN 18 1.830 0.263 -2.324
3 HB2 ASN 18 HB2 ASN 18 -0.247 2.430 -1.970
4 HB3 ASN 18 HB3 ASN 18 0.394 1.804 -3.486
5 HD21 ASN 18 HD21 ASN 18 0.128 -0.669 -3.660
6 HD22 ASN 18 HD22 ASN 18 -1.442 -1.268 -3.260
7 H CYS 19 H CYS 19 3.792 1.114 -2.464
8 HA CYS 19 HA CYS 19 4.174 3.948 -2.009
9 HB2 CYS 19 HB2 CYS 19 4.776 2.190 0.069
10 HB3 CYS 19 HB3 CYS 19 6.330 2.508 -0.695
11 H ASP 20 H ASP 20 4.347 1.800 -4.142
12 HA ASP 20 HA ASP 20 7.132 2.280 -4.975
13 HB2 ASP 20 HB2 ASP 20 5.341 -0.055 -5.201
14 HB3 ASP 20 HB3 ASP 20 6.275 0.313 -6.648
15 H TRP 21 H TRP 21 3.947 3.143 -5.554
16 HA TRP 21 HA TRP 21 4.702 4.356 -8.109
17 HB2 TRP 21 HB2 TRP 21 2.337 3.780 -8.932
18 HB3 TRP 21 HB3 TRP 21 3.531 2.485 -8.921
19 HD1 TRP 21 HD1 TRP 21 0.936 3.799 -6.330
20 HE1 TRP 21 HE1 TRP 21 -0.243 1.756 -5.301
21 HE3 TRP 21 HE3 TRP 21 3.372 0.091 -8.871
22 HZ2 TRP 21 HZ2 TRP 21 -0.152 -1.056 -5.534
23 HZ3 TRP 21 HZ3 TRP 21 2.767 -2.249 -8.409
24 HH2 TRP 21 HH2 TRP 21 1.042 -2.808 -6.774
25 H ASP 22 H ASP 22 3.533 6.245 -8.643
26 HA ASP 22 HA ASP 22 1.534 7.258 -6.819
27 HB2 ASP 22 HB2 ASP 22 3.101 9.435 -6.694
28 HB3 ASP 22 HB3 ASP 22 3.131 8.166 -5.472
29 H LYS 23 H LYS 23 0.327 8.935 -7.679
30 HA LYS 23 HA LYS 23 -0.722 10.014 -9.398
31 HB2 LYS 23 HB2 LYS 23 2.099 10.810 -10.134
32 HB3 LYS 23 HB3 LYS 23 0.621 11.679 -10.526
33 HG2 LYS 23 HG2 LYS 23 0.918 11.242 -7.673
34 HG3 LYS 23 HG3 LYS 23 2.270 12.139 -8.367
35 HD2 LYS 23 HD2 LYS 23 -0.417 12.974 -9.251
36 HD3 LYS 23 HD3 LYS 23 -0.036 13.282 -7.555
37 HE2 LYS 23 HE2 LYS 23 0.648 15.220 -8.679
38 HE3 LYS 23 HE3 LYS 23 2.135 14.314 -8.409
39 HZ1 LYS 23 HZ1 LYS 23 0.631 14.670 -10.926
40 HZ2 LYS 23 HZ2 LYS 23 1.727 13.395 -10.736
41 HZ3 LYS 23 HZ3 LYS 23 2.262 14.995 -10.614
42 H SER 24 H SER 24 -0.721 7.494 -10.087
43 HA SER 24 HA SER 24 -0.837 7.467 -12.872
44 HB2 SER 24 HB2 SER 24 1.810 7.124 -11.927
45 HB3 SER 24 HB3 SER 24 1.265 5.546 -12.495
46 HG SER 24 HG SER 24 0.583 6.697 -14.446
47 H HIS 25 H HIS 25 -0.465 5.686 -9.890
48 HA HIS 25 HA HIS 25 -1.365 3.172 -10.807
49 HB2 HIS 25 HB2 HIS 25 -0.181 3.557 -8.647
50 HB3 HIS 25 HB3 HIS 25 -1.636 4.328 -8.025
51 HD1 HIS 25 HD1 HIS 25 -1.447 1.102 -10.010
52 HD2 HIS 25 HD2 HIS 25 -2.469 2.464 -6.220
53 HE1 HIS 25 HE1 HIS 25 -2.417 -0.889 -8.818
54 H GLU 26 H GLU 26 -3.409 2.151 -10.472
55 HA GLU 26 HA GLU 26 -5.612 3.776 -11.220
56 HB2 GLU 26 HB2 GLU 26 -6.866 1.786 -11.333
57 HB3 GLU 26 HB3 GLU 26 -5.232 1.317 -11.778
58 HG2 GLU 26 HG2 GLU 26 -4.857 0.475 -9.516
59 HG3 GLU 26 HG3 GLU 26 -6.499 0.939 -9.074
60 H LYS 27 H LYS 27 -4.478 2.469 -8.180
61 HA LYS 27 HA LYS 27 -6.874 3.398 -6.790
62 HB2 LYS 27 HB2 LYS 27 -4.462 1.865 -5.801
63 HB3 LYS 27 HB3 LYS 27 -5.837 2.316 -4.802
64 HG2 LYS 27 HG2 LYS 27 -7.303 0.981 -6.267
65 HG3 LYS 27 HG3 LYS 27 -5.882 0.479 -7.188
66 HD2 LYS 27 HD2 LYS 27 -5.876 0.085 -4.236
67 HD3 LYS 27 HD3 LYS 27 -6.848 -1.004 -5.229
68 HE2 LYS 27 HE2 LYS 27 -4.639 -1.150 -6.646
69 HE3 LYS 27 HE3 LYS 27 -3.890 -0.638 -5.135
70 HZ1 LYS 27 HZ1 LYS 27 -4.760 -3.198 -5.859
71 HZ2 LYS 27 HZ2 LYS 27 -5.709 -2.681 -4.559
72 HZ3 LYS 27 HZ3 LYS 27 -4.024 -2.711 -4.415
73 H TYR 28 H TYR 28 -3.967 4.653 -7.755
74 HA TYR 28 HA TYR 28 -2.989 6.046 -5.556
75 HB2 TYR 28 HB2 TYR 28 -1.514 6.679 -7.108
76 HB3 TYR 28 HB3 TYR 28 -2.557 6.031 -8.369
77 HD1 TYR 28 HD1 TYR 28 -1.878 9.077 -6.358
78 HD2 TYR 28 HD2 TYR 28 -3.661 7.466 -9.869
79 HE1 TYR 28 HE1 TYR 28 -2.261 11.355 -7.202
80 HE2 TYR 28 HE2 TYR 28 -4.049 9.740 -10.723
81 HH TYR 28 HH TYR 28 -4.090 11.940 -10.149
82 H ASP 29 H ASP 29 -3.353 8.095 -4.721
83 HA ASP 29 HA ASP 29 -5.810 9.450 -5.615
84 HB2 ASP 29 HB2 ASP 29 -5.066 8.491 -2.899
85 HB3 ASP 29 HB3 ASP 29 -5.881 10.048 -3.008
86 H TRP 30 H TRP 30 -5.632 11.586 -5.912
87 HA TRP 30 HA TRP 30 -3.155 12.866 -5.956
88 HB2 TRP 30 HB2 TRP 30 -5.566 13.460 -6.978
89 HB3 TRP 30 HB3 TRP 30 -5.571 14.558 -5.601
90 HD1 TRP 30 HD1 TRP 30 -4.627 14.508 -9.104
91 HE1 TRP 30 HE1 TRP 30 -2.967 16.393 -9.664
92 HE3 TRP 30 HE3 TRP 30 -3.234 15.798 -4.358
93 HZ2 TRP 30 HZ2 TRP 30 -1.289 18.190 -8.277
94 HZ3 TRP 30 HZ3 TRP 30 -1.596 17.610 -4.061
95 HH2 TRP 30 HH2 TRP 30 -0.644 18.779 -5.981
96 H GLU 31 H GLU 31 -5.859 13.668 -3.765
97 HA GLU 31 HA GLU 31 -4.188 15.130 -1.987
98 HB2 GLU 31 HB2 GLU 31 -7.021 14.134 -1.838
99 HB3 GLU 31 HB3 GLU 31 -6.260 14.919 -0.462
100 HG2 GLU 31 HG2 GLU 31 -6.339 16.962 -1.405
101 HG3 GLU 31 HG3 GLU 31 -6.056 16.343 -3.031
102 H LEU 32 H LEU 32 -5.791 11.961 -1.724
103 HA LEU 32 HA LEU 32 -4.833 11.264 0.798
104 HB2 LEU 32 HB2 LEU 32 -6.397 10.081 -1.137
105 HB3 LEU 32 HB3 LEU 32 -4.992 9.020 -1.055
106 HG LEU 32 HG LEU 32 -5.380 8.671 1.328
107 HD11 LEU 32 HD11 LEU 32 -7.158 10.933 0.968
108 HD12 LEU 32 HD12 LEU 32 -6.455 10.269 2.442
109 HD13 LEU 32 HD13 LEU 32 -7.945 9.586 1.791
110 HD21 LEU 32 HD21 LEU 32 -8.085 8.137 0.361
111 HD22 LEU 32 HD22 LEU 32 -6.836 7.023 0.917
112 HD23 LEU 32 HD23 LEU 32 -6.817 7.613 -0.746
113 H TRP 33 H TRP 33 -3.164 11.561 -2.156
114 HA TRP 33 HA TRP 33 -1.188 9.707 -2.172
115 HB2 TRP 33 HB2 TRP 33 -1.157 11.342 -3.879
116 HB3 TRP 33 HB3 TRP 33 -1.052 12.666 -2.721
117 HD1 TRP 33 HD1 TRP 33 1.080 10.255 -4.693
118 HE1 TRP 33 HE1 TRP 33 3.566 10.796 -4.301
119 HE3 TRP 33 HE3 TRP 33 0.589 13.589 -0.849
120 HZ2 TRP 33 HZ2 TRP 33 5.114 12.420 -2.588
121 HZ3 TRP 33 HZ3 TRP 33 2.622 14.591 0.111
122 HH2 TRP 33 HH2 TRP 33 4.836 14.017 -0.742
123 H ASP 34 H ASP 34 -1.500 12.403 0.055
124 HA ASP 34 HA ASP 34 0.959 12.561 1.219
125 HB2 ASP 34 HB2 ASP 34 -1.814 12.850 2.277
126 HB3 ASP 34 HB3 ASP 34 -0.487 12.821 3.435
127 H LYS 35 H LYS 35 -1.495 10.085 1.777
128 HA LYS 35 HA LYS 35 0.379 8.646 3.522
129 HB2 LYS 35 HB2 LYS 35 -1.673 7.231 4.032
130 HB3 LYS 35 HB3 LYS 35 -1.702 8.891 4.612
131 HG2 LYS 35 HG2 LYS 35 -3.306 9.538 3.098
132 HG3 LYS 35 HG3 LYS 35 -2.908 8.246 1.963
133 HD2 LYS 35 HD2 LYS 35 -4.134 7.735 4.665
134 HD3 LYS 35 HD3 LYS 35 -5.095 7.995 3.207
135 HE2 LYS 35 HE2 LYS 35 -4.718 5.919 2.478
136 HE3 LYS 35 HE3 LYS 35 -2.990 6.036 2.806
137 HZ1 LYS 35 HZ1 LYS 35 -4.829 5.695 5.065
138 HZ2 LYS 35 HZ2 LYS 35 -3.230 5.170 4.889
139 HZ3 LYS 35 HZ3 LYS 35 -4.481 4.351 4.098
140 H TRP 36 H TRP 36 -1.024 8.624 0.405
141 HA TRP 36 HA TRP 36 -0.531 5.788 -0.028
142 HB2 TRP 36 HB2 TRP 36 -1.852 7.975 -1.576
143 HB3 TRP 36 HB3 TRP 36 -1.235 6.578 -2.455
144 HD1 TRP 36 HD1 TRP 36 -3.711 7.381 0.411
145 HE1 TRP 36 HE1 TRP 36 -5.538 5.568 0.414
146 HE3 TRP 36 HE3 TRP 36 -1.839 4.335 -3.243
147 HZ2 TRP 36 HZ2 TRP 36 -6.110 3.164 -0.951
148 HZ3 TRP 36 HZ3 TRP 36 -3.086 2.298 -3.834
149 HH2 TRP 36 HH2 TRP 36 -5.177 1.726 -2.711
150 H CYS 37 H CYS 37 1.513 8.139 0.325
151 HA CYS 37 HA CYS 37 3.642 8.556 -0.359
152 HB2 CYS 37 HB2 CYS 37 3.425 6.085 -2.079
153 HB3 CYS 37 HB3 CYS 37 4.886 6.814 -1.421
Start of MODEL 7
1 H1 ASN 18 H1 ASN 18 2.005 0.007 0.090
2 HA ASN 18 HA ASN 18 2.772 -1.402 -2.059
3 HB2 ASN 18 HB2 ASN 18 1.807 0.925 -3.532
4 HB3 ASN 18 HB3 ASN 18 1.705 -0.785 -3.941
5 HD21 ASN 18 HD21 ASN 18 -0.204 -1.753 -3.819
6 HD22 ASN 18 HD22 ASN 18 -1.624 -1.079 -3.101
7 H CYS 19 H CYS 19 2.344 2.136 -1.883
8 HA CYS 19 HA CYS 19 3.855 3.841 -1.931
9 HB2 CYS 19 HB2 CYS 19 4.340 2.329 0.299
10 HB3 CYS 19 HB3 CYS 19 5.932 2.374 -0.452
11 H ASP 20 H ASP 20 4.029 1.804 -4.043
12 HA ASP 20 HA ASP 20 6.862 2.152 -4.780
13 HB2 ASP 20 HB2 ASP 20 5.058 -0.172 -4.970
14 HB3 ASP 20 HB3 ASP 20 6.014 0.144 -6.415
15 H TRP 21 H TRP 21 3.961 3.433 -5.318
16 HA TRP 21 HA TRP 21 4.720 4.454 -7.908
17 HB2 TRP 21 HB2 TRP 21 2.356 3.878 -8.806
18 HB3 TRP 21 HB3 TRP 21 3.594 2.625 -8.824
19 HD1 TRP 21 HD1 TRP 21 0.976 3.746 -6.166
20 HE1 TRP 21 HE1 TRP 21 -0.168 1.628 -5.256
21 HE3 TRP 21 HE3 TRP 21 3.436 0.234 -8.950
22 HZ2 TRP 21 HZ2 TRP 21 -0.044 -1.162 -5.663
23 HZ3 TRP 21 HZ3 TRP 21 2.865 -2.137 -8.629
24 HH2 TRP 21 HH2 TRP 21 1.161 -2.819 -7.018
25 H ASP 22 H ASP 22 3.525 6.320 -8.527
26 HA ASP 22 HA ASP 22 1.472 7.337 -6.766
27 HB2 ASP 22 HB2 ASP 22 2.998 9.535 -6.632
28 HB3 ASP 22 HB3 ASP 22 3.038 8.277 -5.400
29 H LYS 23 H LYS 23 0.276 9.005 -7.672
30 HA LYS 23 HA LYS 23 -0.749 10.042 -9.431
31 HB2 LYS 23 HB2 LYS 23 2.079 10.840 -10.134
32 HB3 LYS 23 HB3 LYS 23 0.604 11.694 -10.565
33 HG2 LYS 23 HG2 LYS 23 0.855 11.310 -7.700
34 HG3 LYS 23 HG3 LYS 23 2.216 12.201 -8.388
35 HD2 LYS 23 HD2 LYS 23 -0.450 13.014 -9.344
36 HD3 LYS 23 HD3 LYS 23 -0.121 13.339 -7.641
37 HE2 LYS 23 HE2 LYS 23 0.559 15.268 -8.831
38 HE3 LYS 23 HE3 LYS 23 2.035 14.413 -8.387
39 HZ1 LYS 23 HZ1 LYS 23 2.395 13.735 -10.549
40 HZ2 LYS 23 HZ2 LYS 23 1.778 15.294 -10.772
41 HZ3 LYS 23 HZ3 LYS 23 0.782 13.949 -11.013
42 H SER 24 H SER 24 -0.709 7.503 -10.067
43 HA SER 24 HA SER 24 -0.782 7.423 -12.854
44 HB2 SER 24 HB2 SER 24 1.850 7.133 -11.870
45 HB3 SER 24 HB3 SER 24 1.333 5.528 -12.386
46 HG SER 24 HG SER 24 0.592 6.731 -14.362
47 H HIS 25 H HIS 25 -0.443 5.700 -9.834
48 HA HIS 25 HA HIS 25 -1.312 3.164 -10.717
49 HB2 HIS 25 HB2 HIS 25 -0.163 3.594 -8.548
50 HB3 HIS 25 HB3 HIS 25 -1.632 4.369 -7.961
51 HD1 HIS 25 HD1 HIS 25 -1.445 1.121 -9.900
52 HD2 HIS 25 HD2 HIS 25 -2.433 2.522 -6.116
53 HE1 HIS 25 HE1 HIS 25 -2.409 -0.857 -8.682
54 H GLU 26 H GLU 26 -3.352 2.137 -10.425
55 HA GLU 26 HA GLU 26 -5.554 3.736 -11.221
56 HB2 GLU 26 HB2 GLU 26 -6.794 1.735 -11.325
57 HB3 GLU 26 HB3 GLU 26 -5.150 1.275 -11.745
58 HG2 GLU 26 HG2 GLU 26 -4.815 0.524 -9.410
59 HG3 GLU 26 HG3 GLU 26 -6.513 0.874 -9.094
60 H LYS 27 H LYS 27 -4.446 2.502 -8.147
61 HA LYS 27 HA LYS 27 -6.875 3.426 -6.808
62 HB2 LYS 27 HB2 LYS 27 -4.477 1.903 -5.776
63 HB3 LYS 27 HB3 LYS 27 -5.850 2.380 -4.786
64 HG2 LYS 27 HG2 LYS 27 -7.324 1.032 -6.228
65 HG3 LYS 27 HG3 LYS 27 -5.909 0.508 -7.144
66 HD2 LYS 27 HD2 LYS 27 -5.917 0.154 -4.184
67 HD3 LYS 27 HD3 LYS 27 -6.874 -0.951 -5.175
68 HE2 LYS 27 HE2 LYS 27 -4.558 -0.965 -6.549
69 HE3 LYS 27 HE3 LYS 27 -3.946 -0.667 -4.922
70 HZ1 LYS 27 HZ1 LYS 27 -5.501 -2.632 -4.318
71 HZ2 LYS 27 HZ2 LYS 27 -3.989 -2.946 -5.006
72 HZ3 LYS 27 HZ3 LYS 27 -5.383 -3.011 -5.962
73 H TYR 28 H TYR 28 -3.976 4.694 -7.754
74 HA TYR 28 HA TYR 28 -3.032 6.114 -5.554
75 HB2 TYR 28 HB2 TYR 28 -1.538 6.746 -7.090
76 HB3 TYR 28 HB3 TYR 28 -2.551 6.062 -8.356
77 HD1 TYR 28 HD1 TYR 28 -1.950 9.153 -6.388
78 HD2 TYR 28 HD2 TYR 28 -3.643 7.454 -9.903
79 HE1 TYR 28 HE1 TYR 28 -2.345 11.410 -7.282
80 HE2 TYR 28 HE2 TYR 28 -4.041 9.707 -10.807
81 HH TYR 28 HH TYR 28 -4.168 11.927 -10.227
82 H ASP 29 H ASP 29 -3.421 8.169 -4.747
83 HA ASP 29 HA ASP 29 -5.873 9.497 -5.692
84 HB2 ASP 29 HB2 ASP 29 -5.160 8.571 -2.959
85 HB3 ASP 29 HB3 ASP 29 -5.965 10.133 -3.089
86 H TRP 30 H TRP 30 -5.715 11.635 -6.004
87 HA TRP 30 HA TRP 30 -3.245 12.931 -6.050
88 HB2 TRP 30 HB2 TRP 30 -5.657 13.497 -7.089
89 HB3 TRP 30 HB3 TRP 30 -5.672 14.612 -5.726
90 HD1 TRP 30 HD1 TRP 30 -4.718 14.525 -9.225
91 HE1 TRP 30 HE1 TRP 30 -3.066 16.412 -9.802
92 HE3 TRP 30 HE3 TRP 30 -3.344 15.877 -4.490
93 HZ2 TRP 30 HZ2 TRP 30 -1.400 18.233 -8.432
94 HZ3 TRP 30 HZ3 TRP 30 -1.716 17.701 -4.210
95 HH2 TRP 30 HH2 TRP 30 -0.764 18.852 -6.141
96 H GLU 31 H GLU 31 -5.966 13.746 -3.885
97 HA GLU 31 HA GLU 31 -4.313 15.235 -2.114
98 HB2 GLU 31 HB2 GLU 31 -7.147 14.254 -2.019
99 HB3 GLU 31 HB3 GLU 31 -6.412 14.978 -0.596
100 HG2 GLU 31 HG2 GLU 31 -6.000 16.572 -2.983
101 HG3 GLU 31 HG3 GLU 31 -7.706 16.308 -2.629
102 H LEU 32 H LEU 32 -5.894 12.058 -1.831
103 HA LEU 32 HA LEU 32 -4.945 11.396 0.706
104 HB2 LEU 32 HB2 LEU 32 -6.501 10.186 -1.216
105 HB3 LEU 32 HB3 LEU 32 -5.093 9.130 -1.120
106 HG LEU 32 HG LEU 32 -5.484 8.808 1.266
107 HD11 LEU 32 HD11 LEU 32 -8.037 9.709 1.744
108 HD12 LEU 32 HD12 LEU 32 -7.297 11.047 0.866
109 HD13 LEU 32 HD13 LEU 32 -6.549 10.441 2.344
110 HD21 LEU 32 HD21 LEU 32 -7.159 7.261 1.021
111 HD22 LEU 32 HD22 LEU 32 -6.726 7.539 -0.666
112 HD23 LEU 32 HD23 LEU 32 -8.148 8.325 0.022
113 H TRP 33 H TRP 33 -3.264 11.680 -2.237
114 HA TRP 33 HA TRP 33 -1.285 9.829 -2.240
115 HB2 TRP 33 HB2 TRP 33 -1.250 11.461 -3.950
116 HB3 TRP 33 HB3 TRP 33 -1.150 12.787 -2.794
117 HD1 TRP 33 HD1 TRP 33 0.992 10.369 -4.748
118 HE1 TRP 33 HE1 TRP 33 3.476 10.915 -4.349
119 HE3 TRP 33 HE3 TRP 33 0.481 13.723 -0.923
120 HZ2 TRP 33 HZ2 TRP 33 5.014 12.550 -2.638
121 HZ3 TRP 33 HZ3 TRP 33 2.509 14.731 0.039
122 HH2 TRP 33 HH2 TRP 33 4.728 14.155 -0.802
123 H ASP 34 H ASP 34 -1.602 12.540 -0.029
124 HA ASP 34 HA ASP 34 0.851 12.694 1.148
125 HB2 ASP 34 HB2 ASP 34 -1.517 13.791 1.722
126 HB3 ASP 34 HB3 ASP 34 -1.470 12.590 3.008
127 H LYS 35 H LYS 35 -1.608 10.223 1.690
128 HA LYS 35 HA LYS 35 0.244 8.792 3.466
129 HB2 LYS 35 HB2 LYS 35 -1.674 7.510 4.214
130 HB3 LYS 35 HB3 LYS 35 -2.028 9.229 4.337
131 HG2 LYS 35 HG2 LYS 35 -3.562 9.176 2.628
132 HG3 LYS 35 HG3 LYS 35 -2.844 7.745 1.884
133 HD2 LYS 35 HD2 LYS 35 -4.223 7.679 4.560
134 HD3 LYS 35 HD3 LYS 35 -5.075 7.410 3.037
135 HE2 LYS 35 HE2 LYS 35 -4.339 5.312 2.915
136 HE3 LYS 35 HE3 LYS 35 -2.671 5.818 3.181
137 HZ1 LYS 35 HZ1 LYS 35 -3.478 4.291 4.898
138 HZ2 LYS 35 HZ2 LYS 35 -4.681 5.400 5.328
139 HZ3 LYS 35 HZ3 LYS 35 -3.050 5.795 5.546
140 H TRP 36 H TRP 36 -1.160 8.741 0.340
141 HA TRP 36 HA TRP 36 -0.642 5.910 -0.077
142 HB2 TRP 36 HB2 TRP 36 -1.952 8.084 -1.655
143 HB3 TRP 36 HB3 TRP 36 -1.337 6.673 -2.510
144 HD1 TRP 36 HD1 TRP 36 -3.888 7.587 0.240
145 HE1 TRP 36 HE1 TRP 36 -5.698 5.759 0.293
146 HE3 TRP 36 HE3 TRP 36 -1.859 4.337 -3.145
147 HZ2 TRP 36 HZ2 TRP 36 -6.200 3.268 -0.936
148 HZ3 TRP 36 HZ3 TRP 36 -3.067 2.253 -3.649
149 HH2 TRP 36 HH2 TRP 36 -5.192 1.732 -2.567
150 H CYS 37 H CYS 37 1.392 8.268 0.278
151 HA CYS 37 HA CYS 37 3.526 8.683 -0.390
152 HB2 CYS 37 HB2 CYS 37 3.333 6.222 -2.127
153 HB3 CYS 37 HB3 CYS 37 4.780 6.943 -1.430
Start of MODEL 8
1 H1 ASN 18 H1 ASN 18 2.051 -0.312 0.119
2 HA ASN 18 HA ASN 18 2.756 -1.413 -2.080
3 HB2 ASN 18 HB2 ASN 18 1.794 0.920 -3.545
4 HB3 ASN 18 HB3 ASN 18 1.687 -0.789 -3.958
5 HD21 ASN 18 HD21 ASN 18 -0.224 -1.754 -3.831
6 HD22 ASN 18 HD22 ASN 18 -1.640 -1.078 -3.108
7 H CYS 19 H CYS 19 2.342 2.126 -1.897
8 HA CYS 19 HA CYS 19 3.860 3.825 -1.948
9 HB2 CYS 19 HB2 CYS 19 4.348 2.304 0.277
10 HB3 CYS 19 HB3 CYS 19 5.938 2.353 -0.479
11 H ASP 20 H ASP 20 4.019 1.792 -4.064
12 HA ASP 20 HA ASP 20 6.850 2.130 -4.810
13 HB2 ASP 20 HB2 ASP 20 5.037 -0.187 -4.997
14 HB3 ASP 20 HB3 ASP 20 5.990 0.127 -6.445
15 H TRP 21 H TRP 21 3.950 3.420 -5.338
16 HA TRP 21 HA TRP 21 4.704 4.442 -7.929
17 HB2 TRP 21 HB2 TRP 21 2.336 3.873 -8.820
18 HB3 TRP 21 HB3 TRP 21 3.571 2.617 -8.843
19 HD1 TRP 21 HD1 TRP 21 0.963 3.743 -6.177
20 HE1 TRP 21 HE1 TRP 21 -0.185 1.628 -5.265
21 HE3 TRP 21 HE3 TRP 21 3.406 0.227 -8.971
22 HZ2 TRP 21 HZ2 TRP 21 -0.069 -1.163 -5.675
23 HZ3 TRP 21 HZ3 TRP 21 2.828 -2.143 -8.650
24 HH2 TRP 21 HH2 TRP 21 1.127 -2.822 -7.035
25 H ASP 22 H ASP 22 3.512 6.312 -8.541
26 HA ASP 22 HA ASP 22 1.467 7.332 -6.774
27 HB2 ASP 22 HB2 ASP 22 3.001 9.526 -6.643
28 HB3 ASP 22 HB3 ASP 22 3.039 8.268 -5.411
29 H LYS 23 H LYS 23 0.273 9.004 -7.675
30 HA LYS 23 HA LYS 23 -0.755 10.046 -9.429
31 HB2 LYS 23 HB2 LYS 23 2.074 10.839 -10.137
32 HB3 LYS 23 HB3 LYS 23 0.599 11.697 -10.564
33 HG2 LYS 23 HG2 LYS 23 0.857 11.308 -7.700
34 HG3 LYS 23 HG3 LYS 23 2.216 12.197 -8.390
35 HD2 LYS 23 HD2 LYS 23 -0.453 13.015 -9.336
36 HD3 LYS 23 HD3 LYS 23 -0.115 13.340 -7.634
37 HE2 LYS 23 HE2 LYS 23 0.567 15.268 -8.815
38 HE3 LYS 23 HE3 LYS 23 2.047 14.403 -8.401
39 HZ1 LYS 23 HZ1 LYS 23 1.762 13.370 -10.726
40 HZ2 LYS 23 HZ2 LYS 23 2.363 14.946 -10.606
41 HZ3 LYS 23 HZ3 LYS 23 0.745 14.688 -11.028
42 H SER 24 H SER 24 -0.723 7.508 -10.069
43 HA SER 24 HA SER 24 -0.802 7.433 -12.856
44 HB2 SER 24 HB2 SER 24 1.829 6.949 -11.753
45 HB3 SER 24 HB3 SER 24 1.241 5.524 -12.610
46 HG SER 24 HG SER 24 2.386 7.200 -13.879
47 H HIS 25 H HIS 25 -0.461 5.704 -9.839
48 HA HIS 25 HA HIS 25 -1.338 3.171 -10.726
49 HB2 HIS 25 HB2 HIS 25 -0.182 3.595 -8.558
50 HB3 HIS 25 HB3 HIS 25 -1.648 4.372 -7.966
51 HD1 HIS 25 HD1 HIS 25 -1.474 1.127 -9.912
52 HD2 HIS 25 HD2 HIS 25 -2.448 2.524 -6.122
53 HE1 HIS 25 HE1 HIS 25 -2.440 -0.850 -8.695
54 H GLU 26 H GLU 26 -3.379 2.149 -10.430
55 HA GLU 26 HA GLU 26 -5.579 3.756 -11.217
56 HB2 GLU 26 HB2 GLU 26 -6.825 1.758 -11.322
57 HB3 GLU 26 HB3 GLU 26 -5.183 1.294 -11.747
58 HG2 GLU 26 HG2 GLU 26 -4.831 0.496 -9.454
59 HG3 GLU 26 HG3 GLU 26 -6.497 0.920 -9.065
60 H LYS 27 H LYS 27 -4.466 2.513 -8.148
61 HA LYS 27 HA LYS 27 -6.890 3.440 -6.801
62 HB2 LYS 27 HB2 LYS 27 -4.494 1.908 -5.779
63 HB3 LYS 27 HB3 LYS 27 -5.862 2.388 -4.784
64 HG2 LYS 27 HG2 LYS 27 -7.344 1.047 -6.225
65 HG3 LYS 27 HG3 LYS 27 -5.933 0.520 -7.145
66 HD2 LYS 27 HD2 LYS 27 -5.937 0.161 -4.186
67 HD3 LYS 27 HD3 LYS 27 -6.897 -0.940 -5.177
68 HE2 LYS 27 HE2 LYS 27 -4.715 -1.159 -6.573
69 HE3 LYS 27 HE3 LYS 27 -3.934 -0.527 -5.124
70 HZ1 LYS 27 HZ1 LYS 27 -4.745 -3.148 -5.637
71 HZ2 LYS 27 HZ2 LYS 27 -5.707 -2.566 -4.373
72 HZ3 LYS 27 HZ3 LYS 27 -4.021 -2.536 -4.235
73 H TYR 28 H TYR 28 -3.991 4.703 -7.753
74 HA TYR 28 HA TYR 28 -3.037 6.116 -5.552
75 HB2 TYR 28 HB2 TYR 28 -1.546 6.747 -7.090
76 HB3 TYR 28 HB3 TYR 28 -2.564 6.068 -8.355
77 HD1 TYR 28 HD1 TYR 28 -1.949 9.154 -6.384
78 HD2 TYR 28 HD2 TYR 28 -3.654 7.466 -9.898
79 HE1 TYR 28 HE1 TYR 28 -2.341 11.413 -7.272
80 HE2 TYR 28 HE2 TYR 28 -4.050 9.721 -10.796
81 HH TYR 28 HH TYR 28 -3.169 12.619 -8.937
82 H ASP 29 H ASP 29 -3.418 8.172 -4.741
83 HA ASP 29 HA ASP 29 -5.870 9.507 -5.677
84 HB2 ASP 29 HB2 ASP 29 -5.152 8.575 -2.947
85 HB3 ASP 29 HB3 ASP 29 -5.953 10.138 -3.073
86 H TRP 30 H TRP 30 -5.707 11.645 -5.985
87 HA TRP 30 HA TRP 30 -3.235 12.935 -6.036
88 HB2 TRP 30 HB2 TRP 30 -5.647 13.509 -7.068
89 HB3 TRP 30 HB3 TRP 30 -5.657 14.621 -5.702
90 HD1 TRP 30 HD1 TRP 30 -4.711 14.538 -9.204
91 HE1 TRP 30 HE1 TRP 30 -3.056 16.422 -9.782
92 HE3 TRP 30 HE3 TRP 30 -3.323 15.879 -4.470
93 HZ2 TRP 30 HZ2 TRP 30 -1.382 18.236 -8.413
94 HZ3 TRP 30 HZ3 TRP 30 -1.689 17.698 -4.191
95 HH2 TRP 30 HH2 TRP 30 -0.740 18.851 -6.123
96 H GLU 31 H GLU 31 -5.947 13.753 -3.863
97 HA GLU 31 HA GLU 31 -4.286 15.235 -2.093
98 HB2 GLU 31 HB2 GLU 31 -7.099 14.176 -1.823
99 HB3 GLU 31 HB3 GLU 31 -6.320 15.159 -0.591
100 HG2 GLU 31 HG2 GLU 31 -5.918 16.699 -2.767
101 HG3 GLU 31 HG3 GLU 31 -7.442 15.925 -3.195
102 H LEU 32 H LEU 32 -5.874 12.061 -1.812
103 HA LEU 32 HA LEU 32 -4.920 11.393 0.722
104 HB2 LEU 32 HB2 LEU 32 -6.485 10.189 -1.198
105 HB3 LEU 32 HB3 LEU 32 -5.079 9.130 -1.107
106 HG LEU 32 HG LEU 32 -5.464 8.805 1.279
107 HD11 LEU 32 HD11 LEU 32 -7.744 9.627 2.135
108 HD12 LEU 32 HD12 LEU 32 -7.656 10.794 0.816
109 HD13 LEU 32 HD13 LEU 32 -6.410 10.779 2.064
110 HD21 LEU 32 HD21 LEU 32 -6.650 7.469 -0.575
111 HD22 LEU 32 HD22 LEU 32 -8.097 8.347 -0.079
112 HD23 LEU 32 HD23 LEU 32 -7.247 7.322 1.078
113 H TRP 33 H TRP 33 -3.247 11.678 -2.225
114 HA TRP 33 HA TRP 33 -1.272 9.821 -2.236
115 HB2 TRP 33 HB2 TRP 33 -1.237 11.456 -3.943
116 HB3 TRP 33 HB3 TRP 33 -1.132 12.780 -2.786
117 HD1 TRP 33 HD1 TRP 33 1.000 10.360 -4.749
118 HE1 TRP 33 HE1 TRP 33 3.486 10.899 -4.355
119 HE3 TRP 33 HE3 TRP 33 0.507 13.709 -0.917
120 HZ2 TRP 33 HZ2 TRP 33 5.033 12.528 -2.646
121 HZ3 TRP 33 HZ3 TRP 33 2.539 14.711 0.042
122 HH2 TRP 33 HH2 TRP 33 4.755 14.131 -0.806
123 H ASP 34 H ASP 34 -1.577 12.529 -0.019
124 HA ASP 34 HA ASP 34 0.880 12.675 1.151
125 HB2 ASP 34 HB2 ASP 34 -1.744 13.463 1.836
126 HB3 ASP 34 HB3 ASP 34 -1.090 12.637 3.247
127 H LYS 35 H LYS 35 -1.583 10.208 1.694
128 HA LYS 35 HA LYS 35 0.270 8.770 3.463
129 HB2 LYS 35 HB2 LYS 35 -1.649 7.492 4.214
130 HB3 LYS 35 HB3 LYS 35 -2.000 9.211 4.341
131 HG2 LYS 35 HG2 LYS 35 -3.537 9.165 2.634
132 HG3 LYS 35 HG3 LYS 35 -2.825 7.733 1.887
133 HD2 LYS 35 HD2 LYS 35 -4.189 7.660 4.569
134 HD3 LYS 35 HD3 LYS 35 -5.056 7.410 3.051
135 HE2 LYS 35 HE2 LYS 35 -4.333 5.309 2.898
136 HE3 LYS 35 HE3 LYS 35 -2.661 5.799 3.169
137 HZ1 LYS 35 HZ1 LYS 35 -2.816 4.802 5.128
138 HZ2 LYS 35 HZ2 LYS 35 -4.484 4.569 4.968
139 HZ3 LYS 35 HZ3 LYS 35 -3.891 6.014 5.617
140 H TRP 36 H TRP 36 -1.144 8.727 0.341
141 HA TRP 36 HA TRP 36 -0.633 5.896 -0.082
142 HB2 TRP 36 HB2 TRP 36 -1.942 8.076 -1.653
143 HB3 TRP 36 HB3 TRP 36 -1.331 6.665 -2.512
144 HD1 TRP 36 HD1 TRP 36 -3.873 7.581 0.245
145 HE1 TRP 36 HE1 TRP 36 -5.689 5.758 0.300
146 HE3 TRP 36 HE3 TRP 36 -1.862 4.331 -3.150
147 HZ2 TRP 36 HZ2 TRP 36 -6.201 3.270 -0.932
148 HZ3 TRP 36 HZ3 TRP 36 -3.077 2.252 -3.655
149 HH2 TRP 36 HH2 TRP 36 -5.201 1.734 -2.568
150 H CYS 37 H CYS 37 1.406 8.251 0.270
151 HA CYS 37 HA CYS 37 3.540 8.663 -0.402
152 HB2 CYS 37 HB2 CYS 37 3.339 6.203 -2.139
153 HB3 CYS 37 HB3 CYS 37 4.789 6.921 -1.444
Start of MODEL 9
1 H1 ASN 18 H1 ASN 18 1.250 0.467 -0.549
2 HA ASN 18 HA ASN 18 2.844 -1.431 -2.144
3 HB2 ASN 18 HB2 ASN 18 1.856 0.903 -3.594
4 HB3 ASN 18 HB3 ASN 18 1.751 -0.805 -4.009
5 HD21 ASN 18 HD21 ASN 18 -0.152 -1.782 -3.854
6 HD22 ASN 18 HD22 ASN 18 -1.562 -1.113 -3.113
7 H CYS 19 H CYS 19 2.429 2.108 -1.955
8 HA CYS 19 HA CYS 19 3.945 3.809 -2.028
9 HB2 CYS 19 HB2 CYS 19 4.473 2.276 0.186
10 HB3 CYS 19 HB3 CYS 19 6.051 2.351 -0.592
11 H ASP 20 H ASP 20 4.075 1.776 -4.146
12 HA ASP 20 HA ASP 20 6.895 2.118 -4.934
13 HB2 ASP 20 HB2 ASP 20 5.081 -0.202 -5.098
14 HB3 ASP 20 HB3 ASP 20 6.021 0.112 -6.554
15 H TRP 21 H TRP 21 3.981 3.397 -5.421
16 HA TRP 21 HA TRP 21 4.696 4.423 -8.022
17 HB2 TRP 21 HB2 TRP 21 2.319 3.844 -8.883
18 HB3 TRP 21 HB3 TRP 21 3.558 2.592 -8.919
19 HD1 TRP 21 HD1 TRP 21 0.979 3.713 -6.223
20 HE1 TRP 21 HE1 TRP 21 -0.150 1.595 -5.294
21 HE3 TRP 21 HE3 TRP 21 3.399 0.200 -9.041
22 HZ2 TRP 21 HZ2 TRP 21 -0.031 -1.196 -5.702
23 HZ3 TRP 21 HZ3 TRP 21 2.834 -2.171 -8.710
24 HH2 TRP 21 HH2 TRP 21 1.154 -2.853 -7.075
25 H ASP 22 H ASP 22 3.491 6.289 -8.617
26 HA ASP 22 HA ASP 22 1.464 7.300 -6.824
27 HB2 ASP 22 HB2 ASP 22 2.988 9.499 -6.706
28 HB3 ASP 22 HB3 ASP 22 3.051 8.237 -5.479
29 H LYS 23 H LYS 23 0.259 8.978 -7.705
30 HA LYS 23 HA LYS 23 -0.793 10.021 -9.445
31 HB2 LYS 23 HB2 LYS 23 2.021 10.808 -10.211
32 HB3 LYS 23 HB3 LYS 23 0.539 11.675 -10.591
33 HG2 LYS 23 HG2 LYS 23 0.875 11.265 -7.738
34 HG3 LYS 23 HG3 LYS 23 2.218 12.155 -8.460
35 HD2 LYS 23 HD2 LYS 23 -0.350 13.068 -9.453
36 HD3 LYS 23 HD3 LYS 23 -0.238 13.195 -7.696
37 HE2 LYS 23 HE2 LYS 23 1.708 14.329 -9.703
38 HE3 LYS 23 HE3 LYS 23 0.534 15.242 -8.757
39 HZ1 LYS 23 HZ1 LYS 23 3.031 13.965 -7.883
40 HZ2 LYS 23 HZ2 LYS 23 1.768 14.142 -6.772
41 HZ3 LYS 23 HZ3 LYS 23 2.429 15.505 -7.523
42 H SER 24 H SER 24 -0.768 7.479 -10.080
43 HA SER 24 HA SER 24 -0.896 7.400 -12.865
44 HB2 SER 24 HB2 SER 24 1.757 6.981 -11.842
45 HB3 SER 24 HB3 SER 24 1.175 5.492 -12.588
46 HG SER 24 HG SER 24 1.320 6.404 -14.475
47 H HIS 25 H HIS 25 -0.498 5.675 -9.853
48 HA HIS 25 HA HIS 25 -1.383 3.139 -10.718
49 HB2 HIS 25 HB2 HIS 25 -0.200 3.573 -8.568
50 HB3 HIS 25 HB3 HIS 25 -1.659 4.349 -7.959
51 HD1 HIS 25 HD1 HIS 25 -1.502 1.096 -9.893
52 HD2 HIS 25 HD2 HIS 25 -2.434 2.507 -6.098
53 HE1 HIS 25 HE1 HIS 25 -2.448 -0.878 -8.656
54 H GLU 26 H GLU 26 -3.417 2.112 -10.391
55 HA GLU 26 HA GLU 26 -5.632 3.707 -11.156
56 HB2 GLU 26 HB2 GLU 26 -6.874 1.704 -11.230
57 HB3 GLU 26 HB3 GLU 26 -5.238 1.245 -11.679
58 HG2 GLU 26 HG2 GLU 26 -4.851 0.482 -9.366
59 HG3 GLU 26 HG3 GLU 26 -6.531 0.862 -8.990
60 H LYS 27 H LYS 27 -4.478 2.479 -8.095
61 HA LYS 27 HA LYS 27 -6.885 3.409 -6.721
62 HB2 LYS 27 HB2 LYS 27 -4.471 1.890 -5.721
63 HB3 LYS 27 HB3 LYS 27 -5.829 2.370 -4.712
64 HG2 LYS 27 HG2 LYS 27 -7.324 1.015 -6.122
65 HG3 LYS 27 HG3 LYS 27 -5.926 0.493 -7.066
66 HD2 LYS 27 HD2 LYS 27 -5.879 0.140 -4.106
67 HD3 LYS 27 HD3 LYS 27 -6.848 -0.968 -5.079
68 HE2 LYS 27 HE2 LYS 27 -4.572 -0.997 -6.499
69 HE3 LYS 27 HE3 LYS 27 -3.912 -0.656 -4.900
70 HZ1 LYS 27 HZ1 LYS 27 -3.955 -2.894 -4.772
71 HZ2 LYS 27 HZ2 LYS 27 -5.203 -3.065 -5.900
72 HZ3 LYS 27 HZ3 LYS 27 -5.559 -2.635 -4.303
73 H TYR 28 H TYR 28 -4.000 4.673 -7.716
74 HA TYR 28 HA TYR 28 -3.022 6.101 -5.536
75 HB2 TYR 28 HB2 TYR 28 -1.552 6.726 -7.096
76 HB3 TYR 28 HB3 TYR 28 -2.586 6.040 -8.345
77 HD1 TYR 28 HD1 TYR 28 -1.955 9.135 -6.392
78 HD2 TYR 28 HD2 TYR 28 -3.695 7.429 -9.880
79 HE1 TYR 28 HE1 TYR 28 -2.361 11.390 -7.285
80 HE2 TYR 28 HE2 TYR 28 -4.106 9.680 -10.783
81 HH TYR 28 HH TYR 28 -3.871 11.862 -10.468
82 H ASP 29 H ASP 29 -3.403 8.154 -4.724
83 HA ASP 29 HA ASP 29 -5.868 9.479 -5.636
84 HB2 ASP 29 HB2 ASP 29 -5.106 8.573 -2.909
85 HB3 ASP 29 HB3 ASP 29 -5.926 10.126 -3.039
86 H TRP 30 H TRP 30 -5.713 11.613 -5.967
87 HA TRP 30 HA TRP 30 -3.247 12.911 -6.058
88 HB2 TRP 30 HB2 TRP 30 -5.681 13.472 -7.053
89 HB3 TRP 30 HB3 TRP 30 -5.663 14.598 -5.699
90 HD1 TRP 30 HD1 TRP 30 -4.797 14.489 -9.216
91 HE1 TRP 30 HE1 TRP 30 -3.147 16.361 -9.845
92 HE3 TRP 30 HE3 TRP 30 -3.289 15.851 -4.525
93 HZ2 TRP 30 HZ2 TRP 30 -1.432 18.175 -8.527
94 HZ3 TRP 30 HZ3 TRP 30 -1.640 17.663 -4.296
95 HH2 TRP 30 HH2 TRP 30 -0.732 18.799 -6.257
96 H GLU 31 H GLU 31 -5.930 13.740 -3.852
97 HA GLU 31 HA GLU 31 -4.243 15.231 -2.114
98 HB2 GLU 31 HB2 GLU 31 -7.086 14.299 -2.026
99 HB3 GLU 31 HB3 GLU 31 -6.344 14.934 -0.563
100 HG2 GLU 31 HG2 GLU 31 -6.112 17.057 -1.440
101 HG3 GLU 31 HG3 GLU 31 -6.204 16.490 -3.107
102 H LEU 32 H LEU 32 -5.842 12.067 -1.787
103 HA LEU 32 HA LEU 32 -4.860 11.411 0.738
104 HB2 LEU 32 HB2 LEU 32 -6.443 10.197 -1.163
105 HB3 LEU 32 HB3 LEU 32 -5.039 9.136 -1.073
106 HG LEU 32 HG LEU 32 -5.409 8.829 1.318
107 HD11 LEU 32 HD11 LEU 32 -7.151 11.104 0.949
108 HD12 LEU 32 HD12 LEU 32 -6.487 10.420 2.432
109 HD13 LEU 32 HD13 LEU 32 -7.982 9.774 1.755
110 HD21 LEU 32 HD21 LEU 32 -8.095 8.351 0.132
111 HD22 LEU 32 HD22 LEU 32 -7.073 7.278 1.088
112 HD23 LEU 32 HD23 LEU 32 -6.695 7.575 -0.610
113 H TRP 33 H TRP 33 -3.217 11.669 -2.231
114 HA TRP 33 HA TRP 33 -1.245 9.811 -2.249
115 HB2 TRP 33 HB2 TRP 33 -1.225 11.435 -3.967
116 HB3 TRP 33 HB3 TRP 33 -1.107 12.766 -2.819
117 HD1 TRP 33 HD1 TRP 33 1.004 10.334 -4.789
118 HE1 TRP 33 HE1 TRP 33 3.494 10.873 -4.421
119 HE3 TRP 33 HE3 TRP 33 0.551 13.702 -0.969
120 HZ2 TRP 33 HZ2 TRP 33 5.059 12.508 -2.735
121 HZ3 TRP 33 HZ3 TRP 33 2.593 14.707 -0.035
122 HH2 TRP 33 HH2 TRP 33 4.800 14.120 -0.900
123 H ASP 34 H ASP 34 -1.525 12.533 -0.045
124 HA ASP 34 HA ASP 34 0.946 12.680 1.099
125 HB2 ASP 34 HB2 ASP 34 -1.796 12.887 2.322
126 HB3 ASP 34 HB3 ASP 34 -0.345 13.123 3.291
127 H LYS 35 H LYS 35 -1.537 10.246 1.719
128 HA LYS 35 HA LYS 35 0.326 8.810 3.476
129 HB2 LYS 35 HB2 LYS 35 -1.725 7.419 4.012
130 HB3 LYS 35 HB3 LYS 35 -1.773 9.096 4.539
131 HG2 LYS 35 HG2 LYS 35 -3.369 9.681 2.994
132 HG3 LYS 35 HG3 LYS 35 -2.943 8.365 1.897
133 HD2 LYS 35 HD2 LYS 35 -4.143 7.845 4.602
134 HD3 LYS 35 HD3 LYS 35 -5.148 8.174 3.189
135 HE2 LYS 35 HE2 LYS 35 -4.825 6.124 2.360
136 HE3 LYS 35 HE3 LYS 35 -3.091 6.183 2.669
137 HZ1 LYS 35 HZ1 LYS 35 -3.469 4.710 4.267
138 HZ2 LYS 35 HZ2 LYS 35 -5.147 4.899 4.167
139 HZ3 LYS 35 HZ3 LYS 35 -4.236 5.937 5.144
140 H TRP 36 H TRP 36 -1.057 8.759 0.350
141 HA TRP 36 HA TRP 36 -0.559 5.916 -0.043
142 HB2 TRP 36 HB2 TRP 36 -1.902 8.071 -1.619
143 HB3 TRP 36 HB3 TRP 36 -1.287 6.660 -2.474
144 HD1 TRP 36 HD1 TRP 36 -3.792 7.553 0.329
145 HE1 TRP 36 HE1 TRP 36 -5.595 5.719 0.405
146 HE3 TRP 36 HE3 TRP 36 -1.826 4.340 -3.127
147 HZ2 TRP 36 HZ2 TRP 36 -6.115 3.237 -0.837
148 HZ3 TRP 36 HZ3 TRP 36 -3.038 2.258 -3.625
149 HH2 TRP 36 HH2 TRP 36 -5.138 1.719 -2.502
150 H CYS 37 H CYS 37 1.496 8.224 0.304
151 HA CYS 37 HA CYS 37 3.625 8.628 -0.388
152 HB2 CYS 37 HB2 CYS 37 3.356 6.211 -2.178
153 HB3 CYS 37 HB3 CYS 37 4.834 6.902 -1.514
Start of MODEL 10
1 H1 ASN 18 H1 ASN 18 1.754 0.516 -0.162
2 HA ASN 18 HA ASN 18 2.827 -1.370 -2.060
3 HB2 ASN 18 HB2 ASN 18 1.838 0.975 -3.509
4 HB3 ASN 18 HB3 ASN 18 1.766 -0.731 -3.943
5 HD21 ASN 18 HD21 ASN 18 -0.116 -1.755 -3.791
6 HD22 ASN 18 HD22 ASN 18 -1.546 -1.112 -3.063
7 H CYS 19 H CYS 19 2.445 2.174 -1.895
8 HA CYS 19 HA CYS 19 3.976 3.860 -1.983
9 HB2 CYS 19 HB2 CYS 19 4.511 2.304 0.233
10 HB3 CYS 19 HB3 CYS 19 6.086 2.431 -0.544
11 H ASP 20 H ASP 20 4.086 1.814 -4.087
12 HA ASP 20 HA ASP 20 6.909 2.126 -4.877
13 HB2 ASP 20 HB2 ASP 20 6.245 -0.235 -4.500
14 HB3 ASP 20 HB3 ASP 20 4.999 -0.058 -5.733
15 H TRP 21 H TRP 21 3.990 3.404 -5.380
16 HA TRP 21 HA TRP 21 4.714 4.415 -7.983
17 HB2 TRP 21 HB2 TRP 21 2.346 3.825 -8.854
18 HB3 TRP 21 HB3 TRP 21 3.585 2.573 -8.872
19 HD1 TRP 21 HD1 TRP 21 0.983 3.715 -6.208
20 HE1 TRP 21 HE1 TRP 21 -0.150 1.604 -5.268
21 HE3 TRP 21 HE3 TRP 21 3.436 0.180 -8.969
22 HZ2 TRP 21 HZ2 TRP 21 -0.021 -1.190 -5.646
23 HZ3 TRP 21 HZ3 TRP 21 2.873 -2.189 -8.618
24 HH2 TRP 21 HH2 TRP 21 1.180 -2.858 -6.990
25 H ASP 22 H ASP 22 3.511 6.275 -8.594
26 HA ASP 22 HA ASP 22 1.470 7.292 -6.819
27 HB2 ASP 22 HB2 ASP 22 2.990 9.495 -6.703
28 HB3 ASP 22 HB3 ASP 22 3.048 8.239 -5.469
29 H LYS 23 H LYS 23 0.267 8.962 -7.716
30 HA LYS 23 HA LYS 23 -0.777 9.993 -9.467
31 HB2 LYS 23 HB2 LYS 23 2.040 10.785 -10.220
32 HB3 LYS 23 HB3 LYS 23 0.557 11.645 -10.612
33 HG2 LYS 23 HG2 LYS 23 0.877 11.250 -7.756
34 HG3 LYS 23 HG3 LYS 23 2.222 12.139 -8.474
35 HD2 LYS 23 HD2 LYS 23 -0.341 13.042 -9.488
36 HD3 LYS 23 HD3 LYS 23 -0.242 13.176 -7.730
37 HE2 LYS 23 HE2 LYS 23 1.717 14.307 -9.726
38 HE3 LYS 23 HE3 LYS 23 0.533 15.221 -8.793
39 HZ1 LYS 23 HZ1 LYS 23 2.471 15.484 -7.592
40 HZ2 LYS 23 HZ2 LYS 23 2.997 13.900 -7.863
41 HZ3 LYS 23 HZ3 LYS 23 1.731 14.197 -6.781
42 H SER 24 H SER 24 -0.741 7.448 -10.091
43 HA SER 24 HA SER 24 -0.850 7.356 -12.877
44 HB2 SER 24 HB2 SER 24 1.795 6.894 -11.802
45 HB3 SER 24 HB3 SER 24 1.206 5.456 -12.634
46 HG SER 24 HG SER 24 1.318 6.475 -14.480
47 H HIS 25 H HIS 25 -0.470 5.646 -9.853
48 HA HIS 25 HA HIS 25 -1.343 3.104 -10.712
49 HB2 HIS 25 HB2 HIS 25 -0.175 3.550 -8.556
50 HB3 HIS 25 HB3 HIS 25 -1.640 4.326 -7.961
51 HD1 HIS 25 HD1 HIS 25 -1.459 1.064 -9.878
52 HD2 HIS 25 HD2 HIS 25 -2.427 2.492 -6.098
53 HE1 HIS 25 HE1 HIS 25 -2.409 -0.906 -8.638
54 H GLU 26 H GLU 26 -3.377 2.074 -10.390
55 HA GLU 26 HA GLU 26 -5.591 3.661 -11.179
56 HB2 GLU 26 HB2 GLU 26 -6.828 1.655 -11.251
57 HB3 GLU 26 HB3 GLU 26 -5.188 1.198 -11.688
58 HG2 GLU 26 HG2 GLU 26 -4.825 0.474 -9.342
59 HG3 GLU 26 HG3 GLU 26 -6.527 0.805 -9.024
60 H LYS 27 H LYS 27 -4.455 2.447 -8.104
61 HA LYS 27 HA LYS 27 -6.872 3.379 -6.751
62 HB2 LYS 27 HB2 LYS 27 -4.460 1.871 -5.727
63 HB3 LYS 27 HB3 LYS 27 -5.828 2.351 -4.730
64 HG2 LYS 27 HG2 LYS 27 -7.307 0.984 -6.146
65 HG3 LYS 27 HG3 LYS 27 -5.901 0.463 -7.076
66 HD2 LYS 27 HD2 LYS 27 -5.873 0.124 -4.115
67 HD3 LYS 27 HD3 LYS 27 -6.832 -0.992 -5.090
68 HE2 LYS 27 HE2 LYS 27 -4.631 -1.151 -6.506
69 HE3 LYS 27 HE3 LYS 27 -3.877 -0.580 -5.018
70 HZ1 LYS 27 HZ1 LYS 27 -3.847 -2.943 -5.006
71 HZ2 LYS 27 HZ2 LYS 27 -5.495 -3.041 -5.374
72 HZ3 LYS 27 HZ3 LYS 27 -4.998 -2.455 -3.866
73 H TYR 28 H TYR 28 -3.983 4.645 -7.732
74 HA TYR 28 HA TYR 28 -3.024 6.086 -5.553
75 HB2 TYR 28 HB2 TYR 28 -1.545 6.706 -7.107
76 HB3 TYR 28 HB3 TYR 28 -2.569 6.013 -8.359
77 HD1 TYR 28 HD1 TYR 28 -1.955 9.117 -6.416
78 HD2 TYR 28 HD2 TYR 28 -3.669 7.394 -9.909
79 HE1 TYR 28 HE1 TYR 28 -2.361 11.368 -7.321
80 HE2 TYR 28 HE2 TYR 28 -4.078 9.640 -10.823
81 HH TYR 28 HH TYR 28 -4.415 12.029 -9.754
82 H ASP 29 H ASP 29 -3.415 8.142 -4.754
83 HA ASP 29 HA ASP 29 -5.877 9.457 -5.689
84 HB2 ASP 29 HB2 ASP 29 -5.131 8.567 -2.951
85 HB3 ASP 29 HB3 ASP 29 -5.957 10.116 -3.097
86 H TRP 30 H TRP 30 -5.724 11.589 -6.030
87 HA TRP 30 HA TRP 30 -3.261 12.893 -6.109
88 HB2 TRP 30 HB2 TRP 30 -5.689 13.443 -7.124
89 HB3 TRP 30 HB3 TRP 30 -5.683 14.576 -5.775
90 HD1 TRP 30 HD1 TRP 30 -4.792 14.452 -9.286
91 HE1 TRP 30 HE1 TRP 30 -3.141 16.325 -9.912
92 HE3 TRP 30 HE3 TRP 30 -3.320 15.839 -4.591
93 HZ2 TRP 30 HZ2 TRP 30 -1.440 18.149 -8.591
94 HZ3 TRP 30 HZ3 TRP 30 -1.676 17.656 -4.359
95 HH2 TRP 30 HH2 TRP 30 -0.757 18.785 -6.318
96 H GLU 31 H GLU 31 -5.962 13.726 -3.927
97 HA GLU 31 HA GLU 31 -4.290 15.229 -2.184
98 HB2 GLU 31 HB2 GLU 31 -7.129 14.273 -2.081
99 HB3 GLU 31 HB3 GLU 31 -6.388 14.970 -0.647
100 HG2 GLU 31 HG2 GLU 31 -5.764 16.769 -2.646
101 HG3 GLU 31 HG3 GLU 31 -7.409 16.263 -3.028
102 H LEU 32 H LEU 32 -5.887 12.064 -1.852
103 HA LEU 32 HA LEU 32 -4.925 11.421 0.682
104 HB2 LEU 32 HB2 LEU 32 -6.489 10.195 -1.226
105 HB3 LEU 32 HB3 LEU 32 -5.084 9.137 -1.119
106 HG LEU 32 HG LEU 32 -5.474 8.842 1.270
107 HD11 LEU 32 HD11 LEU 32 -7.997 9.741 1.791
108 HD12 LEU 32 HD12 LEU 32 -7.328 11.059 0.830
109 HD13 LEU 32 HD13 LEU 32 -6.507 10.537 2.301
110 HD21 LEU 32 HD21 LEU 32 -6.738 7.573 -0.659
111 HD22 LEU 32 HD22 LEU 32 -8.148 8.355 0.056
112 HD23 LEU 32 HD23 LEU 32 -7.139 7.290 1.036
113 H TRP 33 H TRP 33 -3.258 11.667 -2.275
114 HA TRP 33 HA TRP 33 -1.283 9.813 -2.267
115 HB2 TRP 33 HB2 TRP 33 -1.251 11.428 -3.993
116 HB3 TRP 33 HB3 TRP 33 -1.145 12.765 -2.852
117 HD1 TRP 33 HD1 TRP 33 0.986 10.327 -4.792
118 HE1 TRP 33 HE1 TRP 33 3.472 10.872 -4.407
119 HE3 TRP 33 HE3 TRP 33 0.496 13.715 -0.994
120 HZ2 TRP 33 HZ2 TRP 33 5.020 12.520 -2.717
121 HZ3 TRP 33 HZ3 TRP 33 2.529 14.728 -0.048
122 HH2 TRP 33 HH2 TRP 33 4.743 14.142 -0.893
123 H ASP 34 H ASP 34 -1.585 12.546 -0.080
124 HA ASP 34 HA ASP 34 0.876 12.704 1.083
125 HB2 ASP 34 HB2 ASP 34 -1.448 13.854 1.648
126 HB3 ASP 34 HB3 ASP 34 -1.475 12.636 2.921
127 H LYS 35 H LYS 35 -1.608 10.270 1.698
128 HA LYS 35 HA LYS 35 0.244 8.847 3.478
129 HB2 LYS 35 HB2 LYS 35 -1.808 7.454 4.003
130 HB3 LYS 35 HB3 LYS 35 -1.864 9.134 4.522
131 HG2 LYS 35 HG2 LYS 35 -3.449 9.707 2.960
132 HG3 LYS 35 HG3 LYS 35 -3.011 8.387 1.874
133 HD2 LYS 35 HD2 LYS 35 -4.233 7.879 4.571
134 HD3 LYS 35 HD3 LYS 35 -5.225 8.197 3.146
135 HE2 LYS 35 HE2 LYS 35 -4.891 6.142 2.334
136 HE3 LYS 35 HE3 LYS 35 -3.159 6.209 2.655
137 HZ1 LYS 35 HZ1 LYS 35 -5.319 5.165 4.322
138 HZ2 LYS 35 HZ2 LYS 35 -4.018 5.902 5.112
139 HZ3 LYS 35 HZ3 LYS 35 -3.749 4.578 4.095
140 H TRP 36 H TRP 36 -1.111 8.777 0.341
141 HA TRP 36 HA TRP 36 -0.603 5.932 -0.033
142 HB2 TRP 36 HB2 TRP 36 -1.938 8.076 -1.631
143 HB3 TRP 36 HB3 TRP 36 -1.312 6.661 -2.475
144 HD1 TRP 36 HD1 TRP 36 -3.841 7.561 0.305
145 HE1 TRP 36 HE1 TRP 36 -5.641 5.723 0.373
146 HE3 TRP 36 HE3 TRP 36 -1.841 4.339 -3.123
147 HZ2 TRP 36 HZ2 TRP 36 -6.146 3.236 -0.862
148 HZ3 TRP 36 HZ3 TRP 36 -3.045 2.252 -3.622
149 HH2 TRP 36 HH2 TRP 36 -5.152 1.713 -2.513
150 H CYS 37 H CYS 37 1.444 8.246 0.320
151 HA CYS 37 HA CYS 37 3.577 8.651 -0.356
152 HB2 CYS 37 HB2 CYS 37 3.327 6.224 -2.134
153 HB3 CYS 37 HB3 CYS 37 4.799 6.923 -1.467
Start of MODEL 11
1 H1 ASN 18 H1 ASN 18 1.782 0.449 -0.231
2 HA ASN 18 HA ASN 18 2.861 -1.412 -2.149
3 HB2 ASN 18 HB2 ASN 18 1.865 0.920 -3.597
4 HB3 ASN 18 HB3 ASN 18 1.762 -0.788 -4.011
5 HD21 ASN 18 HD21 ASN 18 -0.138 -1.771 -3.847
6 HD22 ASN 18 HD22 ASN 18 -1.547 -1.103 -3.102
7 H CYS 19 H CYS 19 2.447 2.127 -1.963
8 HA CYS 19 HA CYS 19 3.962 3.827 -2.048
9 HB2 CYS 19 HB2 CYS 19 4.504 2.288 0.166
10 HB3 CYS 19 HB3 CYS 19 6.079 2.388 -0.616
11 H ASP 20 H ASP 20 4.082 1.805 -4.167
12 HA ASP 20 HA ASP 20 6.901 2.141 -4.961
13 HB2 ASP 20 HB2 ASP 20 5.093 -0.184 -5.107
14 HB3 ASP 20 HB3 ASP 20 6.023 0.127 -6.571
15 H TRP 21 H TRP 21 3.984 3.414 -5.443
16 HA TRP 21 HA TRP 21 4.688 4.431 -8.050
17 HB2 TRP 21 HB2 TRP 21 2.310 3.844 -8.901
18 HB3 TRP 21 HB3 TRP 21 3.550 2.594 -8.936
19 HD1 TRP 21 HD1 TRP 21 0.984 3.721 -6.231
20 HE1 TRP 21 HE1 TRP 21 -0.141 1.605 -5.292
21 HE3 TRP 21 HE3 TRP 21 3.386 0.203 -9.056
22 HZ2 TRP 21 HZ2 TRP 21 -0.026 -1.186 -5.696
23 HZ3 TRP 21 HZ3 TRP 21 2.822 -2.168 -8.718
24 HH2 TRP 21 HH2 TRP 21 1.151 -2.846 -7.072
25 H ASP 22 H ASP 22 3.482 6.294 -8.646
26 HA ASP 22 HA ASP 22 1.457 7.308 -6.852
27 HB2 ASP 22 HB2 ASP 22 2.982 9.509 -6.745
28 HB3 ASP 22 HB3 ASP 22 3.043 8.252 -5.512
29 H LYS 23 H LYS 23 0.243 8.973 -7.740
30 HA LYS 23 HA LYS 23 -0.810 10.015 -9.477
31 HB2 LYS 23 HB2 LYS 23 2.001 10.799 -10.257
32 HB3 LYS 23 HB3 LYS 23 0.518 11.664 -10.633
33 HG2 LYS 23 HG2 LYS 23 0.870 11.263 -7.780
34 HG3 LYS 23 HG3 LYS 23 2.204 12.156 -8.514
35 HD2 LYS 23 HD2 LYS 23 -0.371 13.058 -9.494
36 HD3 LYS 23 HD3 LYS 23 -0.254 13.186 -7.738
37 HE2 LYS 23 HE2 LYS 23 1.681 14.328 -9.751
38 HE3 LYS 23 HE3 LYS 23 0.507 15.236 -8.801
39 HZ1 LYS 23 HZ1 LYS 23 1.979 15.383 -7.175
40 HZ2 LYS 23 HZ2 LYS 23 3.115 14.536 -8.099
41 HZ3 LYS 23 HZ3 LYS 23 2.077 13.698 -7.059
42 H SER 24 H SER 24 -0.668 7.415 -10.065
43 HA SER 24 HA SER 24 -0.829 7.347 -12.871
44 HB2 SER 24 HB2 SER 24 1.078 6.112 -13.529
45 HB3 SER 24 HB3 SER 24 1.708 7.389 -12.489
46 HG SER 24 HG SER 24 2.422 5.908 -11.196
47 H HIS 25 H HIS 25 -0.459 5.625 -9.849
48 HA HIS 25 HA HIS 25 -1.365 3.097 -10.703
49 HB2 HIS 25 HB2 HIS 25 -0.201 3.541 -8.542
50 HB3 HIS 25 HB3 HIS 25 -1.665 4.325 -7.955
51 HD1 HIS 25 HD1 HIS 25 -1.513 1.067 -9.877
52 HD2 HIS 25 HD2 HIS 25 -2.449 2.490 -6.088
53 HE1 HIS 25 HE1 HIS 25 -2.475 -0.900 -8.639
54 H GLU 26 H GLU 26 -3.410 2.089 -10.391
55 HA GLU 26 HA GLU 26 -5.604 3.702 -11.187
56 HB2 GLU 26 HB2 GLU 26 -6.858 1.710 -11.281
57 HB3 GLU 26 HB3 GLU 26 -5.218 1.233 -11.700
58 HG2 GLU 26 HG2 GLU 26 -4.888 0.490 -9.362
59 HG3 GLU 26 HG3 GLU 26 -6.582 0.858 -9.045
60 H LYS 27 H LYS 27 -4.487 2.475 -8.113
61 HA LYS 27 HA LYS 27 -6.905 3.413 -6.764
62 HB2 LYS 27 HB2 LYS 27 -4.502 1.892 -5.740
63 HB3 LYS 27 HB3 LYS 27 -5.865 2.380 -4.742
64 HG2 LYS 27 HG2 LYS 27 -7.356 1.022 -6.147
65 HG3 LYS 27 HG3 LYS 27 -5.960 0.500 -7.093
66 HD2 LYS 27 HD2 LYS 27 -5.909 0.144 -4.133
67 HD3 LYS 27 HD3 LYS 27 -6.877 -0.964 -5.108
68 HE2 LYS 27 HE2 LYS 27 -4.709 -1.154 -6.541
69 HE3 LYS 27 HE3 LYS 27 -3.918 -0.537 -5.091
70 HZ1 LYS 27 HZ1 LYS 27 -5.695 -2.911 -5.091
71 HZ2 LYS 27 HZ2 LYS 27 -4.680 -2.385 -3.845
72 HZ3 LYS 27 HZ3 LYS 27 -4.015 -3.008 -5.270
73 H TYR 28 H TYR 28 -3.987 4.654 -7.721
74 HA TYR 28 HA TYR 28 -3.030 6.090 -5.546
75 HB2 TYR 28 HB2 TYR 28 -1.556 6.721 -7.100
76 HB3 TYR 28 HB3 TYR 28 -2.582 6.029 -8.352
77 HD1 TYR 28 HD1 TYR 28 -1.964 9.130 -6.406
78 HD2 TYR 28 HD2 TYR 28 -3.693 7.411 -9.893
79 HE1 TYR 28 HE1 TYR 28 -2.376 11.382 -7.305
80 HE2 TYR 28 HE2 TYR 28 -4.109 9.659 -10.802
81 HH TYR 28 HH TYR 28 -4.062 12.404 -9.011
82 H ASP 29 H ASP 29 -3.411 8.144 -4.736
83 HA ASP 29 HA ASP 29 -5.878 9.467 -5.650
84 HB2 ASP 29 HB2 ASP 29 -5.111 8.566 -2.921
85 HB3 ASP 29 HB3 ASP 29 -5.932 10.119 -3.053
86 H TRP 30 H TRP 30 -5.726 11.601 -5.983
87 HA TRP 30 HA TRP 30 -3.262 12.901 -6.081
88 HB2 TRP 30 HB2 TRP 30 -5.699 13.457 -7.071
89 HB3 TRP 30 HB3 TRP 30 -5.679 14.586 -5.719
90 HD1 TRP 30 HD1 TRP 30 -4.823 14.472 -9.239
91 HE1 TRP 30 HE1 TRP 30 -3.175 16.344 -9.876
92 HE3 TRP 30 HE3 TRP 30 -3.300 15.842 -4.555
93 HZ2 TRP 30 HZ2 TRP 30 -1.457 18.160 -8.566
94 HZ3 TRP 30 HZ3 TRP 30 -1.651 17.654 -4.334
95 HH2 TRP 30 HH2 TRP 30 -0.749 18.788 -6.299
96 H GLU 31 H GLU 31 -5.942 13.732 -3.872
97 HA GLU 31 HA GLU 31 -4.251 15.226 -2.139
98 HB2 GLU 31 HB2 GLU 31 -7.097 14.336 -2.100
99 HB3 GLU 31 HB3 GLU 31 -6.376 14.869 -0.588
100 HG2 GLU 31 HG2 GLU 31 -5.734 16.991 -1.721
101 HG3 GLU 31 HG3 GLU 31 -6.648 16.453 -3.129
102 H LEU 32 H LEU 32 -5.850 12.063 -1.805
103 HA LEU 32 HA LEU 32 -4.865 11.411 0.720
104 HB2 LEU 32 HB2 LEU 32 -6.451 10.194 -1.177
105 HB3 LEU 32 HB3 LEU 32 -5.047 9.133 -1.086
106 HG LEU 32 HG LEU 32 -5.415 8.831 1.305
107 HD11 LEU 32 HD11 LEU 32 -7.048 11.148 0.988
108 HD12 LEU 32 HD12 LEU 32 -6.556 10.330 2.470
109 HD13 LEU 32 HD13 LEU 32 -8.028 9.833 1.637
110 HD21 LEU 32 HD21 LEU 32 -8.036 8.375 -0.089
111 HD22 LEU 32 HD22 LEU 32 -7.261 7.390 1.153
112 HD23 LEU 32 HD23 LEU 32 -6.590 7.443 -0.478
113 H TRP 33 H TRP 33 -3.226 11.666 -2.250
114 HA TRP 33 HA TRP 33 -1.254 9.807 -2.270
115 HB2 TRP 33 HB2 TRP 33 -1.234 11.429 -3.989
116 HB3 TRP 33 HB3 TRP 33 -1.116 12.762 -2.843
117 HD1 TRP 33 HD1 TRP 33 0.994 10.329 -4.812
118 HE1 TRP 33 HE1 TRP 33 3.484 10.868 -4.446
119 HE3 TRP 33 HE3 TRP 33 0.543 13.699 -0.994
120 HZ2 TRP 33 HZ2 TRP 33 5.050 12.504 -2.761
121 HZ3 TRP 33 HZ3 TRP 33 2.586 14.704 -0.061
122 HH2 TRP 33 HH2 TRP 33 4.791 14.118 -0.927
123 H ASP 34 H ASP 34 -1.532 12.529 -0.066
124 HA ASP 34 HA ASP 34 0.940 12.677 1.075
125 HB2 ASP 34 HB2 ASP 34 -1.734 12.757 2.487
126 HB3 ASP 34 HB3 ASP 34 -0.214 13.294 3.196
127 H LYS 35 H LYS 35 -1.537 10.237 1.690
128 HA LYS 35 HA LYS 35 0.330 8.803 3.445
129 HB2 LYS 35 HB2 LYS 35 -1.720 7.411 3.985
130 HB3 LYS 35 HB3 LYS 35 -1.765 9.087 4.516
131 HG2 LYS 35 HG2 LYS 35 -3.365 9.677 2.976
132 HG3 LYS 35 HG3 LYS 35 -2.946 8.361 1.877
133 HD2 LYS 35 HD2 LYS 35 -4.139 7.845 4.586
134 HD3 LYS 35 HD3 LYS 35 -5.145 8.170 3.173
135 HE2 LYS 35 HE2 LYS 35 -4.825 6.117 2.351
136 HE3 LYS 35 HE3 LYS 35 -3.090 6.179 2.653
137 HZ1 LYS 35 HZ1 LYS 35 -4.070 4.423 3.937
138 HZ2 LYS 35 HZ2 LYS 35 -5.199 5.479 4.622
139 HZ3 LYS 35 HZ3 LYS 35 -3.557 5.642 4.992
140 H TRP 36 H TRP 36 -1.069 8.751 0.325
141 HA TRP 36 HA TRP 36 -0.572 5.909 -0.072
142 HB2 TRP 36 HB2 TRP 36 -1.915 8.067 -1.643
143 HB3 TRP 36 HB3 TRP 36 -1.303 6.656 -2.501
144 HD1 TRP 36 HD1 TRP 36 -3.799 7.548 0.312
145 HE1 TRP 36 HE1 TRP 36 -5.606 5.717 0.387
146 HE3 TRP 36 HE3 TRP 36 -1.850 4.341 -3.161
147 HZ2 TRP 36 HZ2 TRP 36 -6.135 3.240 -0.860
148 HZ3 TRP 36 HZ3 TRP 36 -3.069 2.263 -3.661
149 HH2 TRP 36 HH2 TRP 36 -5.166 1.725 -2.533
150 H CYS 37 H CYS 37 1.481 8.229 0.264
151 HA CYS 37 HA CYS 37 3.607 8.634 -0.434
152 HB2 CYS 37 HB2 CYS 37 3.349 6.201 -2.202
153 HB3 CYS 37 HB3 CYS 37 4.822 6.901 -1.539
Start of MODEL 12
1 H1 ASN 18 H1 ASN 18 1.955 0.038 -1.640
2 HA ASN 18 HA ASN 18 1.320 1.121 -3.537
3 HB2 ASN 18 HB2 ASN 18 -0.167 2.996 -1.686
4 HB3 ASN 18 HB3 ASN 18 -0.455 2.774 -3.409
5 HD21 ASN 18 HD21 ASN 18 -0.336 0.035 -3.609
6 HD22 ASN 18 HD22 ASN 18 -1.660 -0.659 -2.741
7 H CYS 19 H CYS 19 3.440 2.239 -1.432
8 HA CYS 19 HA CYS 19 3.788 4.944 -2.360
9 HB2 CYS 19 HB2 CYS 19 4.418 4.055 -0.051
10 HB3 CYS 19 HB3 CYS 19 5.804 3.299 -0.832
11 H ASP 20 H ASP 20 4.532 1.916 -3.590
12 HA ASP 20 HA ASP 20 7.038 2.523 -4.830
13 HB2 ASP 20 HB2 ASP 20 5.103 0.281 -4.870
14 HB3 ASP 20 HB3 ASP 20 6.100 0.467 -6.310
15 H TRP 21 H TRP 21 3.955 3.609 -5.400
16 HA TRP 21 HA TRP 21 4.712 4.583 -8.036
17 HB2 TRP 21 HB2 TRP 21 2.309 3.968 -8.819
18 HB3 TRP 21 HB3 TRP 21 3.556 2.723 -8.830
19 HD1 TRP 21 HD1 TRP 21 1.057 3.945 -6.103
20 HE1 TRP 21 HE1 TRP 21 -0.044 1.863 -5.063
21 HE3 TRP 21 HE3 TRP 21 3.379 0.330 -8.874
22 HZ2 TRP 21 HZ2 TRP 21 0.059 -0.940 -5.377
23 HZ3 TRP 21 HZ3 TRP 21 2.821 -2.027 -8.441
24 HH2 TRP 21 HH2 TRP 21 1.196 -2.647 -6.728
25 H ASP 22 H ASP 22 3.502 6.416 -8.722
26 HA ASP 22 HA ASP 22 1.505 7.536 -6.959
27 HB2 ASP 22 HB2 ASP 22 3.078 9.731 -7.039
28 HB3 ASP 22 HB3 ASP 22 3.073 8.588 -5.699
29 H LYS 23 H LYS 23 0.228 9.055 -7.953
30 HA LYS 23 HA LYS 23 -0.852 9.962 -9.751
31 HB2 LYS 23 HB2 LYS 23 1.922 10.895 -10.497
32 HB3 LYS 23 HB3 LYS 23 0.396 11.657 -10.924
33 HG2 LYS 23 HG2 LYS 23 0.723 11.354 -8.054
34 HG3 LYS 23 HG3 LYS 23 2.007 12.314 -8.793
35 HD2 LYS 23 HD2 LYS 23 -0.755 12.911 -9.666
36 HD3 LYS 23 HD3 LYS 23 -0.342 13.350 -8.007
37 HE2 LYS 23 HE2 LYS 23 0.318 15.259 -9.054
38 HE3 LYS 23 HE3 LYS 23 1.810 14.333 -9.208
39 HZ1 LYS 23 HZ1 LYS 23 -0.276 14.755 -11.270
40 HZ2 LYS 23 HZ2 LYS 23 0.950 13.601 -11.428
41 HZ3 LYS 23 HZ3 LYS 23 1.343 15.243 -11.319
42 H SER 24 H SER 24 -0.722 7.433 -10.320
43 HA SER 24 HA SER 24 -0.720 7.266 -13.108
44 HB2 SER 24 HB2 SER 24 1.882 6.849 -11.891
45 HB3 SER 24 HB3 SER 24 1.346 5.413 -12.764
46 HG SER 24 HG SER 24 2.508 7.268 -13.912
47 H HIS 25 H HIS 25 -0.415 5.633 -10.030
48 HA HIS 25 HA HIS 25 -1.263 3.070 -10.890
49 HB2 HIS 25 HB2 HIS 25 -0.073 3.534 -8.742
50 HB3 HIS 25 HB3 HIS 25 -1.548 4.280 -8.133
51 HD1 HIS 25 HD1 HIS 25 -1.401 1.053 -10.096
52 HD2 HIS 25 HD2 HIS 25 -2.210 2.401 -6.251
53 HE1 HIS 25 HE1 HIS 25 -2.288 -0.947 -8.855
54 H GLU 26 H GLU 26 -3.291 2.046 -10.599
55 HA GLU 26 HA GLU 26 -5.513 3.648 -11.330
56 HB2 GLU 26 HB2 GLU 26 -6.736 1.648 -11.471
57 HB3 GLU 26 HB3 GLU 26 -5.091 1.183 -11.880
58 HG2 GLU 26 HG2 GLU 26 -4.762 0.363 -9.597
59 HG3 GLU 26 HG3 GLU 26 -6.423 0.807 -9.207
60 H LYS 27 H LYS 27 -4.316 2.424 -8.294
61 HA LYS 27 HA LYS 27 -6.734 3.313 -6.901
62 HB2 LYS 27 HB2 LYS 27 -4.334 1.752 -5.930
63 HB3 LYS 27 HB3 LYS 27 -5.692 2.219 -4.916
64 HG2 LYS 27 HG2 LYS 27 -7.158 0.948 -6.553
65 HG3 LYS 27 HG3 LYS 27 -5.660 0.285 -7.210
66 HD2 LYS 27 HD2 LYS 27 -6.134 0.159 -4.267
67 HD3 LYS 27 HD3 LYS 27 -6.979 -0.978 -5.321
68 HE2 LYS 27 HE2 LYS 27 -4.340 -0.990 -6.215
69 HE3 LYS 27 HE3 LYS 27 -4.221 -0.959 -4.456
70 HZ1 LYS 27 HZ1 LYS 27 -5.689 -2.938 -6.110
71 HZ2 LYS 27 HZ2 LYS 27 -5.783 -2.863 -4.423
72 HZ3 LYS 27 HZ3 LYS 27 -4.308 -3.216 -5.173
73 H TYR 28 H TYR 28 -3.874 4.599 -7.893
74 HA TYR 28 HA TYR 28 -2.843 5.955 -5.692
75 HB2 TYR 28 HB2 TYR 28 -1.418 6.658 -7.261
76 HB3 TYR 28 HB3 TYR 28 -2.463 5.978 -8.503
77 HD1 TYR 28 HD1 TYR 28 -1.831 9.046 -6.511
78 HD2 TYR 28 HD2 TYR 28 -3.643 7.377 -9.980
79 HE1 TYR 28 HE1 TYR 28 -2.295 11.310 -7.350
80 HE2 TYR 28 HE2 TYR 28 -4.110 9.637 -10.830
81 HH TYR 28 HH TYR 28 -2.780 12.153 -10.197
82 H ASP 29 H ASP 29 -3.216 7.963 -4.785
83 HA ASP 29 HA ASP 29 -5.714 9.306 -5.579
84 HB2 ASP 29 HB2 ASP 29 -4.774 8.467 -2.861
85 HB3 ASP 29 HB3 ASP 29 -5.795 9.893 -3.025
86 H TRP 30 H TRP 30 -5.578 11.442 -5.889
87 HA TRP 30 HA TRP 30 -3.155 12.772 -6.090
88 HB2 TRP 30 HB2 TRP 30 -5.663 13.357 -6.855
89 HB3 TRP 30 HB3 TRP 30 -5.542 14.421 -5.456
90 HD1 TRP 30 HD1 TRP 30 -4.937 14.456 -9.038
91 HE1 TRP 30 HE1 TRP 30 -3.366 16.381 -9.710
92 HE3 TRP 30 HE3 TRP 30 -3.125 15.676 -4.416
93 HZ2 TRP 30 HZ2 TRP 30 -1.593 18.178 -8.448
94 HZ3 TRP 30 HZ3 TRP 30 -1.495 17.510 -4.235
95 HH2 TRP 30 HH2 TRP 30 -0.745 18.733 -6.210
96 H GLU 31 H GLU 31 -5.643 13.592 -3.668
97 HA GLU 31 HA GLU 31 -3.748 14.920 -1.997
98 HB2 GLU 31 HB2 GLU 31 -6.649 14.374 -1.951
99 HB3 GLU 31 HB3 GLU 31 -5.894 14.554 -0.374
100 HG2 GLU 31 HG2 GLU 31 -5.038 16.736 -1.011
101 HG3 GLU 31 HG3 GLU 31 -5.744 16.557 -2.616
102 H LEU 32 H LEU 32 -5.613 11.906 -1.632
103 HA LEU 32 HA LEU 32 -4.594 11.083 0.808
104 HB2 LEU 32 HB2 LEU 32 -6.238 10.014 -1.172
105 HB3 LEU 32 HB3 LEU 32 -4.926 8.851 -0.997
106 HG LEU 32 HG LEU 32 -5.442 8.526 1.323
107 HD11 LEU 32 HD11 LEU 32 -7.728 9.775 1.986
108 HD12 LEU 32 HD12 LEU 32 -6.999 10.999 0.947
109 HD13 LEU 32 HD13 LEU 32 -6.124 10.407 2.359
110 HD21 LEU 32 HD21 LEU 32 -7.293 7.243 1.022
111 HD22 LEU 32 HD22 LEU 32 -6.944 7.601 -0.670
112 HD23 LEU 32 HD23 LEU 32 -8.181 8.519 0.190
113 H TRP 33 H TRP 33 -3.012 11.313 -2.205
114 HA TRP 33 HA TRP 33 -1.155 9.350 -2.318
115 HB2 TRP 33 HB2 TRP 33 -1.079 11.027 -3.986
116 HB3 TRP 33 HB3 TRP 33 -0.837 12.307 -2.801
117 HD1 TRP 33 HD1 TRP 33 1.044 9.822 -4.923
118 HE1 TRP 33 HE1 TRP 33 3.575 10.170 -4.608
119 HE3 TRP 33 HE3 TRP 33 0.932 13.042 -0.954
120 HZ2 TRP 33 HZ2 TRP 33 5.296 11.618 -2.902
121 HZ3 TRP 33 HZ3 TRP 33 3.065 13.862 -0.040
122 HH2 TRP 33 HH2 TRP 33 5.200 13.163 -0.995
123 H ASP 34 H ASP 34 -1.184 12.046 -0.056
124 HA ASP 34 HA ASP 34 1.364 11.789 1.028
125 HB2 ASP 34 HB2 ASP 34 -0.254 13.637 1.506
126 HB3 ASP 34 HB3 ASP 34 -1.142 12.530 2.549
127 H LYS 35 H LYS 35 -1.669 10.351 2.234
128 HA LYS 35 HA LYS 35 -0.248 8.667 4.090
129 HB2 LYS 35 HB2 LYS 35 -2.422 7.850 4.740
130 HB3 LYS 35 HB3 LYS 35 -2.503 9.599 4.573
131 HG2 LYS 35 HG2 LYS 35 -4.109 9.451 3.053
132 HG3 LYS 35 HG3 LYS 35 -3.180 8.298 2.093
133 HD2 LYS 35 HD2 LYS 35 -4.565 7.404 4.590
134 HD3 LYS 35 HD3 LYS 35 -5.476 7.587 3.089
135 HE2 LYS 35 HE2 LYS 35 -4.730 5.621 2.378
136 HE3 LYS 35 HE3 LYS 35 -3.065 6.181 2.524
137 HZ1 LYS 35 HZ1 LYS 35 -2.794 5.152 4.500
138 HZ2 LYS 35 HZ2 LYS 35 -4.011 4.142 3.903
139 HZ3 LYS 35 HZ3 LYS 35 -4.398 5.381 4.987
140 H TRP 36 H TRP 36 -1.007 8.497 0.813
141 HA TRP 36 HA TRP 36 -1.115 5.581 0.750
142 HB2 TRP 36 HB2 TRP 36 -1.756 7.766 -1.150
143 HB3 TRP 36 HB3 TRP 36 -1.150 6.270 -1.854
144 HD1 TRP 36 HD1 TRP 36 -3.990 7.414 0.529
145 HE1 TRP 36 HE1 TRP 36 -6.000 5.846 0.173
146 HE3 TRP 36 HE3 TRP 36 -1.901 4.164 -2.820
147 HZ2 TRP 36 HZ2 TRP 36 -6.617 3.536 -1.328
148 HZ3 TRP 36 HZ3 TRP 36 -3.268 2.302 -3.666
149 HH2 TRP 36 HH2 TRP 36 -5.577 1.996 -2.934
150 H CYS 37 H CYS 37 1.308 7.323 1.413
151 HA CYS 37 HA CYS 37 3.265 5.658 0.280
152 HB2 CYS 37 HB2 CYS 37 2.764 6.904 -1.780
153 HB3 CYS 37 HB3 CYS 37 3.105 8.418 -0.949
Start of MODEL 13
1 H1 ASN 18 H1 ASN 18 1.589 1.314 -0.635
2 HA ASN 18 HA ASN 18 1.310 1.093 -3.559
3 HB2 ASN 18 HB2 ASN 18 -0.173 2.960 -1.697
4 HB3 ASN 18 HB3 ASN 18 -0.461 2.750 -3.421
5 HD21 ASN 18 HD21 ASN 18 -0.347 0.011 -3.639
6 HD22 ASN 18 HD22 ASN 18 -1.673 -0.686 -2.778
7 H CYS 19 H CYS 19 3.432 2.194 -1.447
8 HA CYS 19 HA CYS 19 3.786 4.903 -2.358
9 HB2 CYS 19 HB2 CYS 19 4.413 4.002 -0.055
10 HB3 CYS 19 HB3 CYS 19 5.796 3.245 -0.838
11 H ASP 20 H ASP 20 4.528 1.880 -3.603
12 HA ASP 20 HA ASP 20 7.034 2.489 -4.839
13 HB2 ASP 20 HB2 ASP 20 5.094 0.252 -4.894
14 HB3 ASP 20 HB3 ASP 20 6.092 0.445 -6.333
15 H TRP 21 H TRP 21 3.952 3.582 -5.406
16 HA TRP 21 HA TRP 21 4.714 4.572 -8.035
17 HB2 TRP 21 HB2 TRP 21 2.311 3.969 -8.823
18 HB3 TRP 21 HB3 TRP 21 3.553 2.720 -8.841
19 HD1 TRP 21 HD1 TRP 21 1.056 3.933 -6.108
20 HE1 TRP 21 HE1 TRP 21 -0.051 1.849 -5.081
21 HE3 TRP 21 HE3 TRP 21 3.371 0.328 -8.897
22 HZ2 TRP 21 HZ2 TRP 21 0.045 -0.953 -5.410
23 HZ3 TRP 21 HZ3 TRP 21 2.807 -2.030 -8.478
24 HH2 TRP 21 HH2 TRP 21 1.179 -2.655 -6.770
25 H ASP 22 H ASP 22 3.511 6.413 -8.710
26 HA ASP 22 HA ASP 22 1.516 7.528 -6.942
27 HB2 ASP 22 HB2 ASP 22 3.096 9.719 -7.009
28 HB3 ASP 22 HB3 ASP 22 3.087 8.569 -5.675
29 H LYS 23 H LYS 23 0.243 9.056 -7.927
30 HA LYS 23 HA LYS 23 -0.833 9.978 -9.721
31 HB2 LYS 23 HB2 LYS 23 1.945 10.905 -10.461
32 HB3 LYS 23 HB3 LYS 23 0.422 11.675 -10.884
33 HG2 LYS 23 HG2 LYS 23 0.746 11.355 -8.016
34 HG3 LYS 23 HG3 LYS 23 2.034 12.314 -8.749
35 HD2 LYS 23 HD2 LYS 23 -0.725 12.925 -9.619
36 HD3 LYS 23 HD3 LYS 23 -0.312 13.353 -7.958
37 HE2 LYS 23 HE2 LYS 23 0.353 15.266 -8.996
38 HE3 LYS 23 HE3 LYS 23 1.844 14.338 -9.151
39 HZ1 LYS 23 HZ1 LYS 23 -0.069 13.963 -11.292
40 HZ2 LYS 23 HZ2 LYS 23 1.607 14.172 -11.361
41 HZ3 LYS 23 HZ3 LYS 23 0.594 15.517 -11.196
42 H SER 24 H SER 24 -0.711 7.451 -10.304
43 HA SER 24 HA SER 24 -0.710 7.300 -13.093
44 HB2 SER 24 HB2 SER 24 1.887 6.822 -11.855
45 HB3 SER 24 HB3 SER 24 1.338 5.444 -12.809
46 HG SER 24 HG SER 24 2.452 6.875 -14.136
47 H HIS 25 H HIS 25 -0.410 5.649 -10.023
48 HA HIS 25 HA HIS 25 -1.266 3.093 -10.898
49 HB2 HIS 25 HB2 HIS 25 -0.074 3.541 -8.747
50 HB3 HIS 25 HB3 HIS 25 -1.545 4.289 -8.134
51 HD1 HIS 25 HD1 HIS 25 -1.407 1.071 -10.113
52 HD2 HIS 25 HD2 HIS 25 -2.217 2.403 -6.262
53 HE1 HIS 25 HE1 HIS 25 -2.301 -0.932 -8.884
54 H GLU 26 H GLU 26 -3.296 2.073 -10.609
55 HA GLU 26 HA GLU 26 -5.513 3.686 -11.332
56 HB2 GLU 26 HB2 GLU 26 -6.743 1.691 -11.483
57 HB3 GLU 26 HB3 GLU 26 -5.099 1.223 -11.894
58 HG2 GLU 26 HG2 GLU 26 -4.774 0.394 -9.611
59 HG3 GLU 26 HG3 GLU 26 -6.437 0.835 -9.226
60 H LYS 27 H LYS 27 -4.321 2.440 -8.303
61 HA LYS 27 HA LYS 27 -6.735 3.330 -6.904
62 HB2 LYS 27 HB2 LYS 27 -4.339 1.759 -5.940
63 HB3 LYS 27 HB3 LYS 27 -5.698 2.223 -4.925
64 HG2 LYS 27 HG2 LYS 27 -7.164 0.964 -6.572
65 HG3 LYS 27 HG3 LYS 27 -5.666 0.301 -7.229
66 HD2 LYS 27 HD2 LYS 27 -6.149 0.161 -4.288
67 HD3 LYS 27 HD3 LYS 27 -6.989 -0.971 -5.351
68 HE2 LYS 27 HE2 LYS 27 -4.346 -0.976 -6.235
69 HE3 LYS 27 HE3 LYS 27 -4.235 -0.956 -4.475
70 HZ1 LYS 27 HZ1 LYS 27 -4.577 -3.169 -5.939
71 HZ2 LYS 27 HZ2 LYS 27 -6.183 -2.803 -5.553
72 HZ3 LYS 27 HZ3 LYS 27 -5.046 -3.025 -4.320
73 H TYR 28 H TYR 28 -3.872 4.614 -7.891
74 HA TYR 28 HA TYR 28 -2.837 5.956 -5.684
75 HB2 TYR 28 HB2 TYR 28 -1.410 6.662 -7.249
76 HB3 TYR 28 HB3 TYR 28 -2.458 5.992 -8.494
77 HD1 TYR 28 HD1 TYR 28 -1.816 9.047 -6.486
78 HD2 TYR 28 HD2 TYR 28 -3.632 7.402 -9.964
79 HE1 TYR 28 HE1 TYR 28 -2.272 11.317 -7.314
80 HE2 TYR 28 HE2 TYR 28 -4.092 9.668 -10.803
81 HH TYR 28 HH TYR 28 -3.302 12.536 -8.876
82 H ASP 29 H ASP 29 -3.205 7.960 -4.766
83 HA ASP 29 HA ASP 29 -5.699 9.314 -5.554
84 HB2 ASP 29 HB2 ASP 29 -4.762 8.459 -2.839
85 HB3 ASP 29 HB3 ASP 29 -5.778 9.889 -2.997
86 H TRP 30 H TRP 30 -5.556 11.451 -5.853
87 HA TRP 30 HA TRP 30 -3.129 12.775 -6.047
88 HB2 TRP 30 HB2 TRP 30 -5.635 13.372 -6.809
89 HB3 TRP 30 HB3 TRP 30 -5.512 14.428 -5.405
90 HD1 TRP 30 HD1 TRP 30 -4.905 14.480 -8.987
91 HE1 TRP 30 HE1 TRP 30 -3.328 16.404 -9.648
92 HE3 TRP 30 HE3 TRP 30 -3.092 15.672 -4.358
93 HZ2 TRP 30 HZ2 TRP 30 -1.551 18.190 -8.376
94 HZ3 TRP 30 HZ3 TRP 30 -1.457 17.500 -4.166
95 HH2 TRP 30 HH2 TRP 30 -0.703 18.731 -6.135
96 H GLU 31 H GLU 31 -5.615 13.590 -3.621
97 HA GLU 31 HA GLU 31 -3.716 14.904 -1.944
98 HB2 GLU 31 HB2 GLU 31 -6.595 14.100 -1.537
99 HB3 GLU 31 HB3 GLU 31 -5.659 14.940 -0.309
100 HG2 GLU 31 HG2 GLU 31 -5.294 16.793 -1.877
101 HG3 GLU 31 HG3 GLU 31 -6.285 15.956 -3.071
102 H LEU 32 H LEU 32 -5.590 11.894 -1.594
103 HA LEU 32 HA LEU 32 -4.575 11.056 0.842
104 HB2 LEU 32 HB2 LEU 32 -6.222 10.002 -1.144
105 HB3 LEU 32 HB3 LEU 32 -4.913 8.834 -0.974
106 HG LEU 32 HG LEU 32 -5.431 8.498 1.343
107 HD11 LEU 32 HD11 LEU 32 -6.947 10.990 0.989
108 HD12 LEU 32 HD12 LEU 32 -6.122 10.350 2.410
109 HD13 LEU 32 HD13 LEU 32 -7.730 9.763 1.986
110 HD21 LEU 32 HD21 LEU 32 -8.143 8.527 0.101
111 HD22 LEU 32 HD22 LEU 32 -7.368 7.286 1.087
112 HD23 LEU 32 HD23 LEU 32 -6.882 7.508 -0.594
113 H TRP 33 H TRP 33 -2.991 11.296 -2.170
114 HA TRP 33 HA TRP 33 -1.140 9.328 -2.291
115 HB2 TRP 33 HB2 TRP 33 -1.058 11.012 -3.952
116 HB3 TRP 33 HB3 TRP 33 -0.814 12.287 -2.761
117 HD1 TRP 33 HD1 TRP 33 1.062 9.805 -4.893
118 HE1 TRP 33 HE1 TRP 33 3.593 10.145 -4.576
119 HE3 TRP 33 HE3 TRP 33 0.958 13.008 -0.910
120 HZ2 TRP 33 HZ2 TRP 33 5.318 11.580 -2.863
121 HZ3 TRP 33 HZ3 TRP 33 3.092 13.818 0.008
122 HH2 TRP 33 HH2 TRP 33 5.226 13.117 -0.949
123 H ASP 34 H ASP 34 -1.161 12.014 -0.017
124 HA ASP 34 HA ASP 34 1.386 11.743 1.066
125 HB2 ASP 34 HB2 ASP 34 -1.138 12.986 1.858
126 HB3 ASP 34 HB3 ASP 34 -0.181 12.442 3.234
127 H LYS 35 H LYS 35 -1.651 10.307 2.264
128 HA LYS 35 HA LYS 35 -0.235 8.610 4.112
129 HB2 LYS 35 HB2 LYS 35 -2.412 7.794 4.756
130 HB3 LYS 35 HB3 LYS 35 -2.487 9.544 4.601
131 HG2 LYS 35 HG2 LYS 35 -4.088 9.417 3.074
132 HG3 LYS 35 HG3 LYS 35 -3.169 8.256 2.113
133 HD2 LYS 35 HD2 LYS 35 -4.558 7.368 4.609
134 HD3 LYS 35 HD3 LYS 35 -5.474 7.571 3.114
135 HE2 LYS 35 HE2 LYS 35 -4.714 5.637 2.324
136 HE3 LYS 35 HE3 LYS 35 -3.044 6.128 2.599
137 HZ1 LYS 35 HZ1 LYS 35 -4.596 4.265 4.039
138 HZ2 LYS 35 HZ2 LYS 35 -4.121 5.511 5.080
139 HZ3 LYS 35 HZ3 LYS 35 -2.956 4.640 4.217
140 H TRP 36 H TRP 36 -0.995 8.459 0.834
141 HA TRP 36 HA TRP 36 -1.111 5.544 0.756
142 HB2 TRP 36 HB2 TRP 36 -1.745 7.741 -1.133
143 HB3 TRP 36 HB3 TRP 36 -1.143 6.246 -1.845
144 HD1 TRP 36 HD1 TRP 36 -3.981 7.388 0.541
145 HE1 TRP 36 HE1 TRP 36 -5.995 5.827 0.178
146 HE3 TRP 36 HE3 TRP 36 -1.899 4.145 -2.819
147 HZ2 TRP 36 HZ2 TRP 36 -6.618 3.525 -1.333
148 HZ3 TRP 36 HZ3 TRP 36 -3.272 2.291 -3.674
149 HH2 TRP 36 HH2 TRP 36 -5.582 1.988 -2.945
150 H CYS 37 H CYS 37 1.317 7.277 1.428
151 HA CYS 37 HA CYS 37 3.270 5.611 0.286
152 HB2 CYS 37 HB2 CYS 37 2.769 6.874 -1.766
153 HB3 CYS 37 HB3 CYS 37 3.123 8.380 -0.926
Start of MODEL 14
1 H1 ASN 18 H1 ASN 18 2.340 0.246 -1.645
2 HA ASN 18 HA ASN 18 1.306 1.099 -3.569
3 HB2 ASN 18 HB2 ASN 18 -0.184 2.967 -1.713
4 HB3 ASN 18 HB3 ASN 18 -0.466 2.756 -3.439
5 HD21 ASN 18 HD21 ASN 18 -0.351 0.017 -3.652
6 HD22 ASN 18 HD22 ASN 18 -1.679 -0.680 -2.795
7 H CYS 19 H CYS 19 3.420 2.203 -1.451
8 HA CYS 19 HA CYS 19 3.777 4.911 -2.363
9 HB2 CYS 19 HB2 CYS 19 4.397 4.010 -0.057
10 HB3 CYS 19 HB3 CYS 19 5.784 3.256 -0.837
11 H ASP 20 H ASP 20 4.521 1.888 -3.605
12 HA ASP 20 HA ASP 20 7.032 2.497 -4.833
13 HB2 ASP 20 HB2 ASP 20 5.093 0.259 -4.893
14 HB3 ASP 20 HB3 ASP 20 6.096 0.451 -6.328
15 H TRP 21 H TRP 21 3.952 3.590 -5.410
16 HA TRP 21 HA TRP 21 4.722 4.578 -8.037
17 HB2 TRP 21 HB2 TRP 21 2.321 3.972 -8.832
18 HB3 TRP 21 HB3 TRP 21 3.565 2.725 -8.845
19 HD1 TRP 21 HD1 TRP 21 1.059 3.938 -6.121
20 HE1 TRP 21 HE1 TRP 21 -0.051 1.854 -5.097
21 HE3 TRP 21 HE3 TRP 21 3.383 0.332 -8.902
22 HZ2 TRP 21 HZ2 TRP 21 0.047 -0.948 -5.424
23 HZ3 TRP 21 HZ3 TRP 21 2.819 -2.026 -8.483
24 HH2 TRP 21 HH2 TRP 21 1.186 -2.651 -6.779
25 H ASP 22 H ASP 22 3.520 6.417 -8.718
26 HA ASP 22 HA ASP 22 1.519 7.532 -6.957
27 HB2 ASP 22 HB2 ASP 22 3.098 9.724 -7.021
28 HB3 ASP 22 HB3 ASP 22 3.084 8.575 -5.685
29 H LYS 23 H LYS 23 0.248 9.059 -7.948
30 HA LYS 23 HA LYS 23 -0.823 9.978 -9.746
31 HB2 LYS 23 HB2 LYS 23 1.957 10.908 -10.475
32 HB3 LYS 23 HB3 LYS 23 0.435 11.676 -10.905
33 HG2 LYS 23 HG2 LYS 23 0.750 11.358 -8.035
34 HG3 LYS 23 HG3 LYS 23 2.038 12.320 -8.765
35 HD2 LYS 23 HD2 LYS 23 -0.722 12.923 -9.642
36 HD3 LYS 23 HD3 LYS 23 -0.312 13.355 -7.980
37 HE2 LYS 23 HE2 LYS 23 0.351 15.267 -9.020
38 HE3 LYS 23 HE3 LYS 23 1.843 14.341 -9.174
39 HZ1 LYS 23 HZ1 LYS 23 1.029 15.472 -11.246
40 HZ2 LYS 23 HZ2 LYS 23 -0.248 14.363 -11.272
41 HZ3 LYS 23 HZ3 LYS 23 1.349 13.818 -11.401
42 H SER 24 H SER 24 -0.696 7.452 -10.328
43 HA SER 24 HA SER 24 -0.684 7.299 -13.116
44 HB2 SER 24 HB2 SER 24 1.914 7.165 -12.121
45 HB3 SER 24 HB3 SER 24 1.480 5.482 -12.417
46 HG SER 24 HG SER 24 1.683 5.857 -14.464
47 H HIS 25 H HIS 25 -0.394 5.650 -10.045
48 HA HIS 25 HA HIS 25 -1.245 3.093 -10.922
49 HB2 HIS 25 HB2 HIS 25 -0.061 3.543 -8.767
50 HB3 HIS 25 HB3 HIS 25 -1.536 4.289 -8.160
51 HD1 HIS 25 HD1 HIS 25 -1.389 1.072 -10.139
52 HD2 HIS 25 HD2 HIS 25 -2.211 2.403 -6.290
53 HE1 HIS 25 HE1 HIS 25 -2.286 -0.932 -8.912
54 H GLU 26 H GLU 26 -3.275 2.072 -10.644
55 HA GLU 26 HA GLU 26 -5.491 3.682 -11.374
56 HB2 GLU 26 HB2 GLU 26 -6.718 1.686 -11.529
57 HB3 GLU 26 HB3 GLU 26 -5.073 1.220 -11.936
58 HG2 GLU 26 HG2 GLU 26 -4.752 0.386 -9.658
59 HG3 GLU 26 HG3 GLU 26 -6.412 0.833 -9.269
60 H LYS 27 H LYS 27 -4.309 2.439 -8.341
61 HA LYS 27 HA LYS 27 -6.729 3.326 -6.951
62 HB2 LYS 27 HB2 LYS 27 -4.336 1.755 -5.980
63 HB3 LYS 27 HB3 LYS 27 -5.698 2.220 -4.968
64 HG2 LYS 27 HG2 LYS 27 -7.160 0.962 -6.619
65 HG3 LYS 27 HG3 LYS 27 -5.661 0.298 -7.272
66 HD2 LYS 27 HD2 LYS 27 -6.149 0.158 -4.333
67 HD3 LYS 27 HD3 LYS 27 -6.991 -0.972 -5.396
68 HE2 LYS 27 HE2 LYS 27 -4.980 -1.908 -6.169
69 HE3 LYS 27 HE3 LYS 27 -4.019 -0.566 -5.549
70 HZ1 LYS 27 HZ1 LYS 27 -4.101 -2.818 -4.282
71 HZ2 LYS 27 HZ2 LYS 27 -5.554 -2.214 -3.664
72 HZ3 LYS 27 HZ3 LYS 27 -4.113 -1.363 -3.419
73 H TYR 28 H TYR 28 -3.865 4.614 -7.928
74 HA TYR 28 HA TYR 28 -2.839 5.955 -5.716
75 HB2 TYR 28 HB2 TYR 28 -1.406 6.663 -7.275
76 HB3 TYR 28 HB3 TYR 28 -2.448 5.991 -8.524
77 HD1 TYR 28 HD1 TYR 28 -1.817 9.047 -6.514
78 HD2 TYR 28 HD2 TYR 28 -3.618 7.401 -9.999
79 HE1 TYR 28 HE1 TYR 28 -2.271 11.318 -7.344
80 HE2 TYR 28 HE2 TYR 28 -4.076 9.667 -10.840
81 HH TYR 28 HH TYR 28 -4.394 12.090 -9.517
82 H ASP 29 H ASP 29 -3.212 7.959 -4.799
83 HA ASP 29 HA ASP 29 -5.704 9.312 -5.597
84 HB2 ASP 29 HB2 ASP 29 -4.777 8.457 -2.879
85 HB3 ASP 29 HB3 ASP 29 -5.793 9.886 -3.040
86 H TRP 30 H TRP 30 -5.561 11.448 -5.895
87 HA TRP 30 HA TRP 30 -3.135 12.774 -6.080
88 HB2 TRP 30 HB2 TRP 30 -5.638 13.369 -6.852
89 HB3 TRP 30 HB3 TRP 30 -5.521 14.425 -5.447
90 HD1 TRP 30 HD1 TRP 30 -4.900 14.478 -9.027
91 HE1 TRP 30 HE1 TRP 30 -3.322 16.403 -9.682
92 HE3 TRP 30 HE3 TRP 30 -3.106 15.670 -4.390
93 HZ2 TRP 30 HZ2 TRP 30 -1.551 18.190 -8.403
94 HZ3 TRP 30 HZ3 TRP 30 -1.472 17.499 -4.193
95 HH2 TRP 30 HH2 TRP 30 -0.711 18.731 -6.158
96 H GLU 31 H GLU 31 -5.631 13.587 -3.664
97 HA GLU 31 HA GLU 31 -3.740 14.903 -1.979
98 HB2 GLU 31 HB2 GLU 31 -6.647 14.239 -1.812
99 HB3 GLU 31 HB3 GLU 31 -5.804 14.692 -0.338
100 HG2 GLU 31 HG2 GLU 31 -5.026 16.755 -1.584
101 HG3 GLU 31 HG3 GLU 31 -6.202 16.323 -2.824
102 H LEU 32 H LEU 32 -5.613 11.892 -1.637
103 HA LEU 32 HA LEU 32 -4.606 11.054 0.804
104 HB2 LEU 32 HB2 LEU 32 -6.244 9.998 -1.189
105 HB3 LEU 32 HB3 LEU 32 -4.935 8.832 -1.014
106 HG LEU 32 HG LEU 32 -5.462 8.495 1.302
107 HD11 LEU 32 HD11 LEU 32 -7.828 9.825 1.804
108 HD12 LEU 32 HD12 LEU 32 -6.833 11.033 0.990
109 HD13 LEU 32 HD13 LEU 32 -6.238 10.237 2.448
110 HD21 LEU 32 HD21 LEU 32 -7.369 7.260 1.022
111 HD22 LEU 32 HD22 LEU 32 -6.921 7.531 -0.663
112 HD23 LEU 32 HD23 LEU 32 -8.179 8.516 0.085
113 H TRP 33 H TRP 33 -3.010 11.296 -2.202
114 HA TRP 33 HA TRP 33 -1.157 9.329 -2.316
115 HB2 TRP 33 HB2 TRP 33 -1.071 11.014 -3.976
116 HB3 TRP 33 HB3 TRP 33 -0.832 12.288 -2.784
117 HD1 TRP 33 HD1 TRP 33 1.054 9.809 -4.910
118 HE1 TRP 33 HE1 TRP 33 3.584 10.151 -4.583
119 HE3 TRP 33 HE3 TRP 33 0.932 13.011 -0.926
120 HZ2 TRP 33 HZ2 TRP 33 5.301 11.587 -2.863
121 HZ3 TRP 33 HZ3 TRP 33 3.062 13.821 0.001
122 HH2 TRP 33 HH2 TRP 33 5.200 13.122 -0.949
123 H ASP 34 H ASP 34 -1.190 12.015 -0.042
124 HA ASP 34 HA ASP 34 1.353 11.748 1.051
125 HB2 ASP 34 HB2 ASP 34 -0.269 13.595 1.531
126 HB3 ASP 34 HB3 ASP 34 -1.156 12.483 2.570
127 H LYS 35 H LYS 35 -1.687 10.308 2.236
128 HA LYS 35 HA LYS 35 -0.277 8.612 4.090
129 HB2 LYS 35 HB2 LYS 35 -2.456 7.793 4.725
130 HB3 LYS 35 HB3 LYS 35 -2.530 9.544 4.572
131 HG2 LYS 35 HG2 LYS 35 -4.124 9.419 3.036
132 HG3 LYS 35 HG3 LYS 35 -3.204 8.255 2.081
133 HD2 LYS 35 HD2 LYS 35 -4.601 7.372 4.573
134 HD3 LYS 35 HD3 LYS 35 -5.515 7.579 3.077
135 HE2 LYS 35 HE2 LYS 35 -4.735 5.663 2.254
136 HE3 LYS 35 HE3 LYS 35 -3.070 6.120 2.607
137 HZ1 LYS 35 HZ1 LYS 35 -3.285 4.317 3.950
138 HZ2 LYS 35 HZ2 LYS 35 -4.942 4.538 4.204
139 HZ3 LYS 35 HZ3 LYS 35 -3.824 5.503 5.030
140 H TRP 36 H TRP 36 -1.023 8.460 0.809
141 HA TRP 36 HA TRP 36 -1.137 5.545 0.730
142 HB2 TRP 36 HB2 TRP 36 -1.766 7.742 -1.160
143 HB3 TRP 36 HB3 TRP 36 -1.160 6.248 -1.870
144 HD1 TRP 36 HD1 TRP 36 -4.008 7.387 0.505
145 HE1 TRP 36 HE1 TRP 36 -6.019 5.824 0.134
146 HE3 TRP 36 HE3 TRP 36 -1.911 4.147 -2.847
147 HZ2 TRP 36 HZ2 TRP 36 -6.635 3.522 -1.379
148 HZ3 TRP 36 HZ3 TRP 36 -3.278 2.291 -3.708
149 HH2 TRP 36 HH2 TRP 36 -5.591 1.987 -2.987
150 H CYS 37 H CYS 37 1.287 7.280 1.412
151 HA CYS 37 HA CYS 37 3.245 5.615 0.277
152 HB2 CYS 37 HB2 CYS 37 2.753 6.875 -1.778
153 HB3 CYS 37 HB3 CYS 37 3.097 8.383 -0.937
Start of MODEL 15
1 H1 ASN 18 H1 ASN 18 1.422 1.250 -0.625
2 HA ASN 18 HA ASN 18 1.319 1.104 -3.551
3 HB2 ASN 18 HB2 ASN 18 -0.176 2.967 -1.694
4 HB3 ASN 18 HB3 ASN 18 -0.459 2.754 -3.419
5 HD21 ASN 18 HD21 ASN 18 -0.333 0.015 -3.631
6 HD22 ASN 18 HD22 ASN 18 -1.659 -0.686 -2.772
7 H CYS 19 H CYS 19 3.433 2.215 -1.435
8 HA CYS 19 HA CYS 19 3.778 4.925 -2.348
9 HB2 CYS 19 HB2 CYS 19 4.404 4.028 -0.043
10 HB3 CYS 19 HB3 CYS 19 5.791 3.275 -0.823
11 H ASP 20 H ASP 20 4.535 1.903 -3.588
12 HA ASP 20 HA ASP 20 7.041 2.520 -4.819
13 HB2 ASP 20 HB2 ASP 20 5.109 0.276 -4.877
14 HB3 ASP 20 HB3 ASP 20 6.110 0.470 -6.313
15 H TRP 21 H TRP 21 3.955 3.600 -5.395
16 HA TRP 21 HA TRP 21 4.720 4.590 -8.023
17 HB2 TRP 21 HB2 TRP 21 2.320 3.977 -8.815
18 HB3 TRP 21 HB3 TRP 21 3.568 2.733 -8.829
19 HD1 TRP 21 HD1 TRP 21 1.060 3.940 -6.103
20 HE1 TRP 21 HE1 TRP 21 -0.041 1.852 -5.077
21 HE3 TRP 21 HE3 TRP 21 3.394 0.340 -8.883
22 HZ2 TRP 21 HZ2 TRP 21 0.065 -0.950 -5.402
23 HZ3 TRP 21 HZ3 TRP 21 2.839 -2.020 -8.463
24 HH2 TRP 21 HH2 TRP 21 1.209 -2.649 -6.757
25 H ASP 22 H ASP 22 3.513 6.426 -8.702
26 HA ASP 22 HA ASP 22 1.510 7.536 -6.940
27 HB2 ASP 22 HB2 ASP 22 3.084 9.732 -7.007
28 HB3 ASP 22 HB3 ASP 22 3.072 8.585 -5.670
29 H LYS 23 H LYS 23 0.234 9.058 -7.930
30 HA LYS 23 HA LYS 23 -0.841 9.974 -9.727
31 HB2 LYS 23 HB2 LYS 23 1.935 10.911 -10.460
32 HB3 LYS 23 HB3 LYS 23 0.410 11.675 -10.889
33 HG2 LYS 23 HG2 LYS 23 0.729 11.359 -8.019
34 HG3 LYS 23 HG3 LYS 23 2.014 12.323 -8.751
35 HD2 LYS 23 HD2 LYS 23 -0.747 12.920 -9.627
36 HD3 LYS 23 HD3 LYS 23 -0.338 13.352 -7.965
37 HE2 LYS 23 HE2 LYS 23 0.323 15.267 -9.001
38 HE3 LYS 23 HE3 LYS 23 1.816 14.343 -9.159
39 HZ1 LYS 23 HZ1 LYS 23 -0.069 13.926 -11.302
40 HZ2 LYS 23 HZ2 LYS 23 1.595 14.223 -11.366
41 HZ3 LYS 23 HZ3 LYS 23 0.512 15.512 -11.199
42 H SER 24 H SER 24 -0.708 7.447 -10.308
43 HA SER 24 HA SER 24 -0.698 7.294 -13.097
44 HB2 SER 24 HB2 SER 24 1.899 6.859 -11.868
45 HB3 SER 24 HB3 SER 24 1.364 5.442 -12.771
46 HG SER 24 HG SER 24 2.457 7.557 -13.772
47 H HIS 25 H HIS 25 -0.400 5.646 -10.025
48 HA HIS 25 HA HIS 25 -1.244 3.087 -10.900
49 HB2 HIS 25 HB2 HIS 25 -0.061 3.541 -8.746
50 HB3 HIS 25 HB3 HIS 25 -1.537 4.284 -8.138
51 HD1 HIS 25 HD1 HIS 25 -1.381 1.065 -10.115
52 HD2 HIS 25 HD2 HIS 25 -2.205 2.396 -6.267
53 HE1 HIS 25 HE1 HIS 25 -2.271 -0.940 -8.886
54 H GLU 26 H GLU 26 -3.272 2.059 -10.618
55 HA GLU 26 HA GLU 26 -5.493 3.663 -11.348
56 HB2 GLU 26 HB2 GLU 26 -6.714 1.663 -11.501
57 HB3 GLU 26 HB3 GLU 26 -5.068 1.201 -11.908
58 HG2 GLU 26 HG2 GLU 26 -4.746 0.376 -9.623
59 HG3 GLU 26 HG3 GLU 26 -6.412 0.810 -9.243
60 H LYS 27 H LYS 27 -4.305 2.425 -8.315
61 HA LYS 27 HA LYS 27 -6.727 3.306 -6.924
62 HB2 LYS 27 HB2 LYS 27 -4.327 1.746 -5.952
63 HB3 LYS 27 HB3 LYS 27 -5.690 2.205 -4.941
64 HG2 LYS 27 HG2 LYS 27 -7.148 0.939 -6.588
65 HG3 LYS 27 HG3 LYS 27 -5.646 0.282 -7.245
66 HD2 LYS 27 HD2 LYS 27 -6.128 0.140 -4.304
67 HD3 LYS 27 HD3 LYS 27 -6.967 -0.994 -5.366
68 HE2 LYS 27 HE2 LYS 27 -4.324 -0.992 -6.251
69 HE3 LYS 27 HE3 LYS 27 -4.212 -0.974 -4.492
70 HZ1 LYS 27 HZ1 LYS 27 -4.822 -3.130 -6.165
71 HZ2 LYS 27 HZ2 LYS 27 -6.193 -2.807 -5.229
72 HZ3 LYS 27 HZ3 LYS 27 -4.709 -3.115 -4.477
73 H TYR 28 H TYR 28 -3.863 4.599 -7.901
74 HA TYR 28 HA TYR 28 -2.841 5.947 -5.693
75 HB2 TYR 28 HB2 TYR 28 -1.412 6.658 -7.255
76 HB3 TYR 28 HB3 TYR 28 -2.454 5.983 -8.503
77 HD1 TYR 28 HD1 TYR 28 -1.830 9.042 -6.495
78 HD2 TYR 28 HD2 TYR 28 -3.628 7.388 -9.979
79 HE1 TYR 28 HE1 TYR 28 -2.293 11.310 -7.326
80 HE2 TYR 28 HE2 TYR 28 -4.095 9.651 -10.819
81 HH TYR 28 HH TYR 28 -3.986 12.371 -8.934
82 H ASP 29 H ASP 29 -3.218 7.951 -4.778
83 HA ASP 29 HA ASP 29 -5.716 9.295 -5.574
84 HB2 ASP 29 HB2 ASP 29 -4.783 8.443 -2.857
85 HB3 ASP 29 HB3 ASP 29 -5.803 9.871 -3.016
86 H TRP 30 H TRP 30 -5.580 11.432 -5.873
87 HA TRP 30 HA TRP 30 -3.158 12.766 -6.061
88 HB2 TRP 30 HB2 TRP 30 -5.665 13.352 -6.830
89 HB3 TRP 30 HB3 TRP 30 -5.549 14.409 -5.426
90 HD1 TRP 30 HD1 TRP 30 -4.934 14.462 -9.007
91 HE1 TRP 30 HE1 TRP 30 -3.362 16.391 -9.665
92 HE3 TRP 30 HE3 TRP 30 -3.137 15.662 -4.374
93 HZ2 TRP 30 HZ2 TRP 30 -1.595 18.184 -8.390
94 HZ3 TRP 30 HZ3 TRP 30 -1.508 17.497 -4.179
95 HH2 TRP 30 HH2 TRP 30 -0.754 18.730 -6.147
96 H GLU 31 H GLU 31 -5.654 13.572 -3.643
97 HA GLU 31 HA GLU 31 -3.766 14.894 -1.960
98 HB2 GLU 31 HB2 GLU 31 -6.644 14.082 -1.569
99 HB3 GLU 31 HB3 GLU 31 -5.717 14.914 -0.329
100 HG2 GLU 31 HG2 GLU 31 -5.702 16.152 -3.002
101 HG3 GLU 31 HG3 GLU 31 -7.242 16.163 -2.145
102 H LEU 32 H LEU 32 -5.628 11.877 -1.615
103 HA LEU 32 HA LEU 32 -4.616 11.044 0.825
104 HB2 LEU 32 HB2 LEU 32 -6.253 9.982 -1.165
105 HB3 LEU 32 HB3 LEU 32 -4.940 8.819 -0.991
106 HG LEU 32 HG LEU 32 -5.462 8.482 1.325
107 HD11 LEU 32 HD11 LEU 32 -6.884 11.003 0.999
108 HD12 LEU 32 HD12 LEU 32 -6.221 10.252 2.450
109 HD13 LEU 32 HD13 LEU 32 -7.817 9.783 1.866
110 HD21 LEU 32 HD21 LEU 32 -7.285 7.181 0.996
111 HD22 LEU 32 HD22 LEU 32 -6.975 7.591 -0.691
112 HD23 LEU 32 HD23 LEU 32 -8.205 8.470 0.219
113 H TRP 33 H TRP 33 -3.025 11.289 -2.183
114 HA TRP 33 HA TRP 33 -1.165 9.328 -2.299
115 HB2 TRP 33 HB2 TRP 33 -1.086 11.013 -3.960
116 HB3 TRP 33 HB3 TRP 33 -0.850 12.288 -2.768
117 HD1 TRP 33 HD1 TRP 33 1.041 9.815 -4.896
118 HE1 TRP 33 HE1 TRP 33 3.570 10.164 -4.572
119 HE3 TRP 33 HE3 TRP 33 0.913 13.017 -0.913
120 HZ2 TRP 33 HZ2 TRP 33 5.284 11.607 -2.854
121 HZ3 TRP 33 HZ3 TRP 33 3.042 13.835 0.011
122 HH2 TRP 33 HH2 TRP 33 5.181 13.143 -0.940
123 H ASP 34 H ASP 34 -1.205 12.014 -0.025
124 HA ASP 34 HA ASP 34 1.341 11.755 1.065
125 HB2 ASP 34 HB2 ASP 34 -1.094 13.118 1.724
126 HB3 ASP 34 HB3 ASP 34 -0.427 12.394 3.185
127 H LYS 35 H LYS 35 -1.693 10.308 2.255
128 HA LYS 35 HA LYS 35 -0.276 8.617 4.108
129 HB2 LYS 35 HB2 LYS 35 -2.450 7.795 4.749
130 HB3 LYS 35 HB3 LYS 35 -2.534 9.545 4.587
131 HG2 LYS 35 HG2 LYS 35 -4.137 9.399 3.065
132 HG3 LYS 35 HG3 LYS 35 -3.202 8.254 2.100
133 HD2 LYS 35 HD2 LYS 35 -4.594 7.345 4.589
134 HD3 LYS 35 HD3 LYS 35 -5.496 7.528 3.083
135 HE2 LYS 35 HE2 LYS 35 -4.744 5.561 2.382
136 HE3 LYS 35 HE3 LYS 35 -3.083 6.136 2.516
137 HZ1 LYS 35 HZ1 LYS 35 -4.492 4.305 4.176
138 HZ2 LYS 35 HZ2 LYS 35 -3.861 5.582 5.088
139 HZ3 LYS 35 HZ3 LYS 35 -2.835 4.646 4.122
140 H TRP 36 H TRP 36 -1.025 8.461 0.828
141 HA TRP 36 HA TRP 36 -1.130 5.546 0.752
142 HB2 TRP 36 HB2 TRP 36 -1.768 7.739 -1.140
143 HB3 TRP 36 HB3 TRP 36 -1.159 6.246 -1.849
144 HD1 TRP 36 HD1 TRP 36 -4.006 7.376 0.531
145 HE1 TRP 36 HE1 TRP 36 -6.013 5.807 0.163
146 HE3 TRP 36 HE3 TRP 36 -1.904 4.144 -2.827
147 HZ2 TRP 36 HZ2 TRP 36 -6.624 3.503 -1.350
148 HZ3 TRP 36 HZ3 TRP 36 -3.267 2.284 -3.685
149 HH2 TRP 36 HH2 TRP 36 -5.578 1.972 -2.960
150 H CYS 37 H CYS 37 1.289 7.288 1.430
151 HA CYS 37 HA CYS 37 3.252 5.630 0.292
152 HB2 CYS 37 HB2 CYS 37 2.751 6.892 -1.761
153 HB3 CYS 37 HB3 CYS 37 3.097 8.399 -0.919
Start of MODEL 16
1 H1 ASN 18 H1 ASN 18 2.336 0.234 -1.657
2 HA ASN 18 HA ASN 18 1.306 1.098 -3.575
3 HB2 ASN 18 HB2 ASN 18 -0.180 2.964 -1.714
4 HB3 ASN 18 HB3 ASN 18 -0.466 2.754 -3.439
5 HD21 ASN 18 HD21 ASN 18 -0.350 0.015 -3.655
6 HD22 ASN 18 HD22 ASN 18 -1.676 -0.683 -2.796
7 H CYS 19 H CYS 19 3.425 2.201 -1.460
8 HA CYS 19 HA CYS 19 3.778 4.910 -2.372
9 HB2 CYS 19 HB2 CYS 19 4.403 4.009 -0.067
10 HB3 CYS 19 HB3 CYS 19 5.788 3.254 -0.849
11 H ASP 20 H ASP 20 4.524 1.887 -3.614
12 HA ASP 20 HA ASP 20 7.031 2.497 -4.847
13 HB2 ASP 20 HB2 ASP 20 5.093 0.259 -4.904
14 HB3 ASP 20 HB3 ASP 20 6.094 0.451 -6.341
15 H TRP 21 H TRP 21 3.948 3.587 -5.420
16 HA TRP 21 HA TRP 21 4.714 4.575 -8.048
17 HB2 TRP 21 HB2 TRP 21 2.312 3.969 -8.838
18 HB3 TRP 21 HB3 TRP 21 3.555 2.722 -8.853
19 HD1 TRP 21 HD1 TRP 21 1.052 3.937 -6.126
20 HE1 TRP 21 HE1 TRP 21 -0.055 1.853 -5.099
21 HE3 TRP 21 HE3 TRP 21 3.374 0.329 -8.906
22 HZ2 TRP 21 HZ2 TRP 21 0.043 -0.949 -5.423
23 HZ3 TRP 21 HZ3 TRP 21 2.812 -2.029 -8.484
24 HH2 TRP 21 HH2 TRP 21 1.181 -2.653 -6.778
25 H ASP 22 H ASP 22 3.511 6.415 -8.726
26 HA ASP 22 HA ASP 22 1.513 7.530 -6.961
27 HB2 ASP 22 HB2 ASP 22 3.093 9.722 -7.029
28 HB3 ASP 22 HB3 ASP 22 3.080 8.574 -5.693
29 H LYS 23 H LYS 23 0.240 9.057 -7.950
30 HA LYS 23 HA LYS 23 -0.834 9.975 -9.746
31 HB2 LYS 23 HB2 LYS 23 1.944 10.906 -10.481
32 HB3 LYS 23 HB3 LYS 23 0.421 11.674 -10.908
33 HG2 LYS 23 HG2 LYS 23 0.740 11.356 -8.039
34 HG3 LYS 23 HG3 LYS 23 2.028 12.316 -8.770
35 HD2 LYS 23 HD2 LYS 23 -0.730 12.923 -9.646
36 HD3 LYS 23 HD3 LYS 23 -0.321 13.353 -7.984
37 HE2 LYS 23 HE2 LYS 23 0.347 15.266 -9.018
38 HE3 LYS 23 HE3 LYS 23 1.837 14.337 -9.176
39 HZ1 LYS 23 HZ1 LYS 23 0.071 13.808 -11.337
40 HZ2 LYS 23 HZ2 LYS 23 1.661 14.384 -11.372
41 HZ3 LYS 23 HZ3 LYS 23 0.372 15.468 -11.211
42 H SER 24 H SER 24 -0.708 7.449 -10.328
43 HA SER 24 HA SER 24 -0.701 7.296 -13.117
44 HB2 SER 24 HB2 SER 24 1.893 6.809 -11.868
45 HB3 SER 24 HB3 SER 24 1.344 5.444 -12.841
46 HG SER 24 HG SER 24 1.796 8.116 -13.637
47 H HIS 25 H HIS 25 -0.406 5.647 -10.046
48 HA HIS 25 HA HIS 25 -1.258 3.090 -10.921
49 HB2 HIS 25 HB2 HIS 25 -0.071 3.540 -8.768
50 HB3 HIS 25 HB3 HIS 25 -1.544 4.287 -8.158
51 HD1 HIS 25 HD1 HIS 25 -1.398 1.068 -10.136
52 HD2 HIS 25 HD2 HIS 25 -2.219 2.401 -6.288
53 HE1 HIS 25 HE1 HIS 25 -2.293 -0.935 -8.908
54 H GLU 26 H GLU 26 -3.288 2.068 -10.636
55 HA GLU 26 HA GLU 26 -5.505 3.679 -11.364
56 HB2 GLU 26 HB2 GLU 26 -6.733 1.683 -11.516
57 HB3 GLU 26 HB3 GLU 26 -5.088 1.216 -11.925
58 HG2 GLU 26 HG2 GLU 26 -4.766 0.390 -9.640
59 HG3 GLU 26 HG3 GLU 26 -6.430 0.827 -9.260
60 H LYS 27 H LYS 27 -4.319 2.435 -8.332
61 HA LYS 27 HA LYS 27 -6.736 3.324 -6.939
62 HB2 LYS 27 HB2 LYS 27 -4.340 1.756 -5.969
63 HB3 LYS 27 HB3 LYS 27 -5.703 2.218 -4.958
64 HG2 LYS 27 HG2 LYS 27 -7.163 0.956 -6.606
65 HG3 LYS 27 HG3 LYS 27 -5.663 0.296 -7.262
66 HD2 LYS 27 HD2 LYS 27 -6.143 0.155 -4.321
67 HD3 LYS 27 HD3 LYS 27 -6.991 -0.974 -5.381
68 HE2 LYS 27 HE2 LYS 27 -4.982 -1.910 -6.165
69 HE3 LYS 27 HE3 LYS 27 -4.019 -0.571 -5.544
70 HZ1 LYS 27 HZ1 LYS 27 -3.621 -2.050 -3.908
71 HZ2 LYS 27 HZ2 LYS 27 -5.055 -2.910 -4.159
72 HZ3 LYS 27 HZ3 LYS 27 -5.081 -1.459 -3.290
73 H TYR 28 H TYR 28 -3.871 4.609 -7.919
74 HA TYR 28 HA TYR 28 -2.842 5.953 -5.711
75 HB2 TYR 28 HB2 TYR 28 -1.413 6.660 -7.274
76 HB3 TYR 28 HB3 TYR 28 -2.458 5.988 -8.521
77 HD1 TYR 28 HD1 TYR 28 -1.823 9.044 -6.513
78 HD2 TYR 28 HD2 TYR 28 -3.628 7.397 -9.996
79 HE1 TYR 28 HE1 TYR 28 -2.280 11.314 -7.342
80 HE2 TYR 28 HE2 TYR 28 -4.089 9.663 -10.836
81 HH TYR 28 HH TYR 28 -4.402 12.091 -9.501
82 H ASP 29 H ASP 29 -3.213 7.957 -4.795
83 HA ASP 29 HA ASP 29 -5.708 9.309 -5.588
84 HB2 ASP 29 HB2 ASP 29 -4.775 8.455 -2.872
85 HB3 ASP 29 HB3 ASP 29 -5.792 9.884 -3.031
86 H TRP 30 H TRP 30 -5.566 11.446 -5.887
87 HA TRP 30 HA TRP 30 -3.140 12.772 -6.077
88 HB2 TRP 30 HB2 TRP 30 -5.646 13.366 -6.844
89 HB3 TRP 30 HB3 TRP 30 -5.526 14.422 -5.440
90 HD1 TRP 30 HD1 TRP 30 -4.913 14.474 -9.020
91 HE1 TRP 30 HE1 TRP 30 -3.337 16.399 -9.680
92 HE3 TRP 30 HE3 TRP 30 -3.109 15.669 -4.388
93 HZ2 TRP 30 HZ2 TRP 30 -1.563 18.187 -8.405
94 HZ3 TRP 30 HZ3 TRP 30 -1.475 17.498 -4.195
95 HH2 TRP 30 HH2 TRP 30 -0.719 18.730 -6.163
96 H GLU 31 H GLU 31 -5.632 13.585 -3.656
97 HA GLU 31 HA GLU 31 -3.738 14.901 -1.975
98 HB2 GLU 31 HB2 GLU 31 -6.641 14.345 -1.922
99 HB3 GLU 31 HB3 GLU 31 -5.875 14.551 -0.353
100 HG2 GLU 31 HG2 GLU 31 -5.528 16.752 -0.657
101 HG3 GLU 31 HG3 GLU 31 -5.192 16.572 -2.379
102 H LEU 32 H LEU 32 -5.609 11.890 -1.629
103 HA LEU 32 HA LEU 32 -4.597 11.053 0.810
104 HB2 LEU 32 HB2 LEU 32 -6.240 9.996 -1.179
105 HB3 LEU 32 HB3 LEU 32 -4.930 8.830 -1.007
106 HG LEU 32 HG LEU 32 -5.452 8.494 1.310
107 HD11 LEU 32 HD11 LEU 32 -7.050 10.953 0.935
108 HD12 LEU 32 HD12 LEU 32 -6.110 10.408 2.323
109 HD13 LEU 32 HD13 LEU 32 -7.708 9.728 2.019
110 HD21 LEU 32 HD21 LEU 32 -7.379 7.275 1.046
111 HD22 LEU 32 HD22 LEU 32 -6.903 7.509 -0.636
112 HD23 LEU 32 HD23 LEU 32 -8.164 8.519 0.072
113 H TRP 33 H TRP 33 -3.008 11.294 -2.199
114 HA TRP 33 HA TRP 33 -1.155 9.327 -2.317
115 HB2 TRP 33 HB2 TRP 33 -1.072 11.012 -3.978
116 HB3 TRP 33 HB3 TRP 33 -0.831 12.286 -2.786
117 HD1 TRP 33 HD1 TRP 33 1.051 9.807 -4.915
118 HE1 TRP 33 HE1 TRP 33 3.581 10.149 -4.593
119 HE3 TRP 33 HE3 TRP 33 0.937 13.010 -0.932
120 HZ2 TRP 33 HZ2 TRP 33 5.302 11.586 -2.877
121 HZ3 TRP 33 HZ3 TRP 33 3.069 13.821 -0.010
122 HH2 TRP 33 HH2 TRP 33 5.205 13.122 -0.963
123 H ASP 34 H ASP 34 -1.183 12.013 -0.043
124 HA ASP 34 HA ASP 34 1.363 11.746 1.045
125 HB2 ASP 34 HB2 ASP 34 -0.380 13.556 1.506
126 HB3 ASP 34 HB3 ASP 34 -1.080 12.437 2.672
127 H LYS 35 H LYS 35 -1.675 10.307 2.237
128 HA LYS 35 HA LYS 35 -0.262 8.611 4.088
129 HB2 LYS 35 HB2 LYS 35 -2.439 7.794 4.728
130 HB3 LYS 35 HB3 LYS 35 -2.515 9.544 4.573
131 HG2 LYS 35 HG2 LYS 35 -4.112 9.417 3.042
132 HG3 LYS 35 HG3 LYS 35 -3.192 8.254 2.084
133 HD2 LYS 35 HD2 LYS 35 -4.584 7.368 4.579
134 HD3 LYS 35 HD3 LYS 35 -5.500 7.573 3.083
135 HE2 LYS 35 HE2 LYS 35 -4.731 5.647 2.278
136 HE3 LYS 35 HE3 LYS 35 -3.062 6.124 2.588
137 HZ1 LYS 35 HZ1 LYS 35 -4.920 4.662 4.354
138 HZ2 LYS 35 HZ2 LYS 35 -3.589 5.487 4.994
139 HZ3 LYS 35 HZ3 LYS 35 -3.353 4.237 3.878
140 H TRP 36 H TRP 36 -1.014 8.459 0.809
141 HA TRP 36 HA TRP 36 -1.129 5.544 0.731
142 HB2 TRP 36 HB2 TRP 36 -1.761 7.740 -1.159
143 HB3 TRP 36 HB3 TRP 36 -1.157 6.246 -1.870
144 HD1 TRP 36 HD1 TRP 36 -4.000 7.385 0.511
145 HE1 TRP 36 HE1 TRP 36 -6.012 5.822 0.144
146 HE3 TRP 36 HE3 TRP 36 -1.909 4.144 -2.845
147 HZ2 TRP 36 HZ2 TRP 36 -6.630 3.520 -1.368
148 HZ3 TRP 36 HZ3 TRP 36 -3.278 2.288 -3.702
149 HH2 TRP 36 HH2 TRP 36 -5.589 1.984 -2.977
150 H CYS 37 H CYS 37 1.296 7.278 1.407
151 HA CYS 37 HA CYS 37 3.253 5.614 0.269
152 HB2 CYS 37 HB2 CYS 37 2.757 6.872 -1.785
153 HB3 CYS 37 HB3 CYS 37 3.102 8.381 -0.945
Start of MODEL 17
1 H1 ASN 18 H1 ASN 18 1.142 1.027 -0.679
2 HA ASN 18 HA ASN 18 1.294 1.080 -3.549
3 HB2 ASN 18 HB2 ASN 18 -0.198 2.949 -1.695
4 HB3 ASN 18 HB3 ASN 18 -0.474 2.742 -3.422
5 HD21 ASN 18 HD21 ASN 18 -0.361 0.002 -3.639
6 HD22 ASN 18 HD22 ASN 18 -1.695 -0.693 -2.788
7 H CYS 19 H CYS 19 3.409 2.174 -1.430
8 HA CYS 19 HA CYS 19 3.772 4.885 -2.335
9 HB2 CYS 19 HB2 CYS 19 4.390 3.978 -0.032
10 HB3 CYS 19 HB3 CYS 19 5.773 3.219 -0.812
11 H ASP 20 H ASP 20 4.512 1.861 -3.582
12 HA ASP 20 HA ASP 20 7.024 2.465 -4.808
13 HB2 ASP 20 HB2 ASP 20 6.392 0.153 -4.372
14 HB3 ASP 20 HB3 ASP 20 4.986 0.314 -5.422
15 H TRP 21 H TRP 21 3.944 3.567 -5.386
16 HA TRP 21 HA TRP 21 4.722 4.565 -8.007
17 HB2 TRP 21 HB2 TRP 21 2.318 3.972 -8.806
18 HB3 TRP 21 HB3 TRP 21 3.558 2.721 -8.825
19 HD1 TRP 21 HD1 TRP 21 1.056 3.929 -6.095
20 HE1 TRP 21 HE1 TRP 21 -0.060 1.843 -5.081
21 HE3 TRP 21 HE3 TRP 21 3.369 0.329 -8.893
22 HZ2 TRP 21 HZ2 TRP 21 0.029 -0.958 -5.421
23 HZ3 TRP 21 HZ3 TRP 21 2.797 -2.029 -8.486
24 HH2 TRP 21 HH2 TRP 21 1.162 -2.657 -6.785
25 H ASP 22 H ASP 22 3.528 6.412 -8.682
26 HA ASP 22 HA ASP 22 1.531 7.528 -6.917
27 HB2 ASP 22 HB2 ASP 22 3.121 9.714 -6.974
28 HB3 ASP 22 HB3 ASP 22 3.097 8.562 -5.641
29 H LYS 23 H LYS 23 0.266 9.062 -7.904
30 HA LYS 23 HA LYS 23 -0.800 9.993 -9.698
31 HB2 LYS 23 HB2 LYS 23 1.984 10.914 -10.423
32 HB3 LYS 23 HB3 LYS 23 0.465 11.690 -10.852
33 HG2 LYS 23 HG2 LYS 23 0.775 11.361 -7.983
34 HG3 LYS 23 HG3 LYS 23 2.069 12.318 -8.707
35 HD2 LYS 23 HD2 LYS 23 -0.683 12.941 -9.590
36 HD3 LYS 23 HD3 LYS 23 -0.278 13.362 -7.925
37 HE2 LYS 23 HE2 LYS 23 0.400 15.276 -8.951
38 HE3 LYS 23 HE3 LYS 23 1.888 14.343 -9.102
39 HZ1 LYS 23 HZ1 LYS 23 0.106 13.850 -11.272
40 HZ2 LYS 23 HZ2 LYS 23 1.719 14.359 -11.302
41 HZ3 LYS 23 HZ3 LYS 23 0.476 15.496 -11.144
42 H SER 24 H SER 24 -0.683 7.468 -10.289
43 HA SER 24 HA SER 24 -0.671 7.325 -13.078
44 HB2 SER 24 HB2 SER 24 1.924 6.902 -11.865
45 HB3 SER 24 HB3 SER 24 1.387 5.455 -12.719
46 HG SER 24 HG SER 24 2.441 6.773 -14.176
47 H HIS 25 H HIS 25 -0.388 5.663 -10.013
48 HA HIS 25 HA HIS 25 -1.249 3.113 -10.899
49 HB2 HIS 25 HB2 HIS 25 -0.065 3.551 -8.742
50 HB3 HIS 25 HB3 HIS 25 -1.537 4.301 -8.132
51 HD1 HIS 25 HD1 HIS 25 -1.401 1.090 -10.123
52 HD2 HIS 25 HD2 HIS 25 -2.220 2.411 -6.270
53 HE1 HIS 25 HE1 HIS 25 -2.306 -0.915 -8.903
54 H GLU 26 H GLU 26 -3.284 2.099 -10.625
55 HA GLU 26 HA GLU 26 -5.493 3.721 -11.351
56 HB2 GLU 26 HB2 GLU 26 -6.728 1.730 -11.513
57 HB3 GLU 26 HB3 GLU 26 -5.084 1.259 -11.920
58 HG2 GLU 26 HG2 GLU 26 -4.769 0.419 -9.641
59 HG3 GLU 26 HG3 GLU 26 -6.430 0.867 -9.257
60 H LYS 27 H LYS 27 -4.318 2.462 -8.321
61 HA LYS 27 HA LYS 27 -6.735 3.354 -6.930
62 HB2 LYS 27 HB2 LYS 27 -4.347 1.774 -5.960
63 HB3 LYS 27 HB3 LYS 27 -5.710 2.238 -4.950
64 HG2 LYS 27 HG2 LYS 27 -7.171 0.987 -6.605
65 HG3 LYS 27 HG3 LYS 27 -5.673 0.325 -7.262
66 HD2 LYS 27 HD2 LYS 27 -6.155 0.172 -4.323
67 HD3 LYS 27 HD3 LYS 27 -7.006 -0.949 -5.388
68 HE2 LYS 27 HE2 LYS 27 -5.001 -1.890 -6.173
69 HE3 LYS 27 HE3 LYS 27 -4.033 -0.555 -5.549
70 HZ1 LYS 27 HZ1 LYS 27 -3.892 -2.636 -4.228
71 HZ2 LYS 27 HZ2 LYS 27 -5.524 -2.454 -3.824
72 HZ3 LYS 27 HZ3 LYS 27 -4.396 -1.292 -3.332
73 H TYR 28 H TYR 28 -3.861 4.631 -7.898
74 HA TYR 28 HA TYR 28 -2.833 5.963 -5.683
75 HB2 TYR 28 HB2 TYR 28 -1.397 6.671 -7.240
76 HB3 TYR 28 HB3 TYR 28 -2.442 6.008 -8.492
77 HD1 TYR 28 HD1 TYR 28 -1.799 9.054 -6.471
78 HD2 TYR 28 HD2 TYR 28 -3.604 7.427 -9.964
79 HE1 TYR 28 HE1 TYR 28 -2.246 11.329 -7.293
80 HE2 TYR 28 HE2 TYR 28 -4.055 9.697 -10.796
81 HH TYR 28 HH TYR 28 -3.053 12.022 -10.436
82 H ASP 29 H ASP 29 -3.198 7.966 -4.761
83 HA ASP 29 HA ASP 29 -5.686 9.330 -5.554
84 HB2 ASP 29 HB2 ASP 29 -4.761 8.467 -2.837
85 HB3 ASP 29 HB3 ASP 29 -5.777 9.896 -2.997
86 H TRP 30 H TRP 30 -5.536 11.467 -5.845
87 HA TRP 30 HA TRP 30 -3.104 12.785 -6.025
88 HB2 TRP 30 HB2 TRP 30 -5.605 13.391 -6.797
89 HB3 TRP 30 HB3 TRP 30 -5.485 14.442 -5.389
90 HD1 TRP 30 HD1 TRP 30 -4.862 14.503 -8.968
91 HE1 TRP 30 HE1 TRP 30 -3.277 16.424 -9.617
92 HE3 TRP 30 HE3 TRP 30 -3.067 15.676 -4.327
93 HZ2 TRP 30 HZ2 TRP 30 -1.500 18.201 -8.331
94 HZ3 TRP 30 HZ3 TRP 30 -1.426 17.499 -4.123
95 HH2 TRP 30 HH2 TRP 30 -0.660 18.733 -6.085
96 H GLU 31 H GLU 31 -5.600 13.599 -3.608
97 HA GLU 31 HA GLU 31 -3.706 14.903 -1.918
98 HB2 GLU 31 HB2 GLU 31 -6.500 14.006 -1.204
99 HB3 GLU 31 HB3 GLU 31 -5.551 15.252 -0.405
100 HG2 GLU 31 HG2 GLU 31 -5.603 16.556 -2.524
101 HG3 GLU 31 HG3 GLU 31 -6.708 15.349 -3.179
102 H LEU 32 H LEU 32 -5.587 11.896 -1.587
103 HA LEU 32 HA LEU 32 -4.585 11.049 0.852
104 HB2 LEU 32 HB2 LEU 32 -6.226 10.004 -1.144
105 HB3 LEU 32 HB3 LEU 32 -4.921 8.832 -0.972
106 HG LEU 32 HG LEU 32 -5.449 8.491 1.342
107 HD11 LEU 32 HD11 LEU 32 -6.166 10.306 2.440
108 HD12 LEU 32 HD12 LEU 32 -7.771 9.782 1.934
109 HD13 LEU 32 HD13 LEU 32 -6.909 11.006 1.002
110 HD21 LEU 32 HD21 LEU 32 -7.244 7.178 0.976
111 HD22 LEU 32 HD22 LEU 32 -6.995 7.659 -0.703
112 HD23 LEU 32 HD23 LEU 32 -8.199 8.489 0.283
113 H TRP 33 H TRP 33 -2.987 11.295 -2.152
114 HA TRP 33 HA TRP 33 -1.141 9.322 -2.273
115 HB2 TRP 33 HB2 TRP 33 -1.048 11.013 -3.927
116 HB3 TRP 33 HB3 TRP 33 -0.805 12.282 -2.730
117 HD1 TRP 33 HD1 TRP 33 1.073 9.803 -4.863
118 HE1 TRP 33 HE1 TRP 33 3.604 10.135 -4.534
119 HE3 TRP 33 HE3 TRP 33 0.961 12.992 -0.869
120 HZ2 TRP 33 HZ2 TRP 33 5.325 11.559 -2.809
121 HZ3 TRP 33 HZ3 TRP 33 3.093 13.792 0.062
122 HH2 TRP 33 HH2 TRP 33 5.229 13.089 -0.889
123 H ASP 34 H ASP 34 -1.165 12.000 0.011
124 HA ASP 34 HA ASP 34 1.377 11.720 1.104
125 HB2 ASP 34 HB2 ASP 34 -1.226 12.609 2.349
126 HB3 ASP 34 HB3 ASP 34 0.314 12.684 3.200
127 H LYS 35 H LYS 35 -1.668 10.285 2.283
128 HA LYS 35 HA LYS 35 -0.264 8.577 4.130
129 HB2 LYS 35 HB2 LYS 35 -2.445 7.763 4.762
130 HB3 LYS 35 HB3 LYS 35 -2.515 9.514 4.615
131 HG2 LYS 35 HG2 LYS 35 -4.110 9.399 3.079
132 HG3 LYS 35 HG3 LYS 35 -3.191 8.237 2.119
133 HD2 LYS 35 HD2 LYS 35 -4.592 7.346 4.606
134 HD3 LYS 35 HD3 LYS 35 -5.503 7.559 3.110
135 HE2 LYS 35 HE2 LYS 35 -4.743 5.631 2.304
136 HE3 LYS 35 HE3 LYS 35 -3.072 6.106 2.607
137 HZ1 LYS 35 HZ1 LYS 35 -4.902 4.921 4.625
138 HZ2 LYS 35 HZ2 LYS 35 -3.278 5.325 4.869
139 HZ3 LYS 35 HZ3 LYS 35 -3.688 4.081 3.799
140 H TRP 36 H TRP 36 -1.013 8.441 0.849
141 HA TRP 36 HA TRP 36 -1.135 5.526 0.758
142 HB2 TRP 36 HB2 TRP 36 -1.757 7.732 -1.124
143 HB3 TRP 36 HB3 TRP 36 -1.156 6.239 -1.840
144 HD1 TRP 36 HD1 TRP 36 -4.001 7.380 0.539
145 HE1 TRP 36 HE1 TRP 36 -6.017 5.825 0.162
146 HE3 TRP 36 HE3 TRP 36 -1.913 4.142 -2.822
147 HZ2 TRP 36 HZ2 TRP 36 -6.640 3.529 -1.357
148 HZ3 TRP 36 HZ3 TRP 36 -3.286 2.294 -3.688
149 HH2 TRP 36 HH2 TRP 36 -5.600 1.995 -2.970
150 H CYS 37 H CYS 37 1.294 7.252 1.446
151 HA CYS 37 HA CYS 37 3.248 5.585 0.304
152 HB2 CYS 37 HB2 CYS 37 2.757 6.858 -1.744
153 HB3 CYS 37 HB3 CYS 37 3.112 8.359 -0.897
Start of MODEL 18
1 H1 ASN 18 H1 ASN 18 1.996 0.025 -1.661
2 HA ASN 18 HA ASN 18 1.298 1.091 -3.551
3 HB2 ASN 18 HB2 ASN 18 -0.195 2.959 -1.697
4 HB3 ASN 18 HB3 ASN 18 -0.470 2.753 -3.425
5 HD21 ASN 18 HD21 ASN 18 -0.357 0.013 -3.644
6 HD22 ASN 18 HD22 ASN 18 -1.692 -0.683 -2.795
7 H CYS 19 H CYS 19 3.412 2.186 -1.431
8 HA CYS 19 HA CYS 19 3.775 4.896 -2.336
9 HB2 CYS 19 HB2 CYS 19 4.393 3.987 -0.032
10 HB3 CYS 19 HB3 CYS 19 5.778 3.231 -0.814
11 H ASP 20 H ASP 20 4.512 1.875 -3.586
12 HA ASP 20 HA ASP 20 7.025 2.479 -4.811
13 HB2 ASP 20 HB2 ASP 20 6.387 0.167 -4.372
14 HB3 ASP 20 HB3 ASP 20 4.990 0.328 -5.432
15 H TRP 21 H TRP 21 3.949 3.585 -5.386
16 HA TRP 21 HA TRP 21 4.724 4.583 -8.008
17 HB2 TRP 21 HB2 TRP 21 2.322 3.988 -8.807
18 HB3 TRP 21 HB3 TRP 21 3.562 2.738 -8.827
19 HD1 TRP 21 HD1 TRP 21 1.059 3.942 -6.096
20 HE1 TRP 21 HE1 TRP 21 -0.056 1.854 -5.084
21 HE3 TRP 21 HE3 TRP 21 3.374 0.346 -8.898
22 HZ2 TRP 21 HZ2 TRP 21 0.034 -0.946 -5.427
23 HZ3 TRP 21 HZ3 TRP 21 2.804 -2.013 -8.493
24 HH2 TRP 21 HH2 TRP 21 1.169 -2.644 -6.793
25 H ASP 22 H ASP 22 3.528 6.429 -8.681
26 HA ASP 22 HA ASP 22 1.528 7.542 -6.917
27 HB2 ASP 22 HB2 ASP 22 3.113 9.729 -6.969
28 HB3 ASP 22 HB3 ASP 22 3.097 8.574 -5.640
29 H LYS 23 H LYS 23 0.263 9.077 -7.902
30 HA LYS 23 HA LYS 23 -0.805 10.006 -9.696
31 HB2 LYS 23 HB2 LYS 23 1.979 10.932 -10.419
32 HB3 LYS 23 HB3 LYS 23 0.459 11.706 -10.848
33 HG2 LYS 23 HG2 LYS 23 0.770 11.375 -7.979
34 HG3 LYS 23 HG3 LYS 23 2.061 12.336 -8.704
35 HD2 LYS 23 HD2 LYS 23 -0.696 12.950 -9.581
36 HD3 LYS 23 HD3 LYS 23 -0.286 13.375 -7.917
37 HE2 LYS 23 HE2 LYS 23 0.380 15.290 -8.953
38 HE3 LYS 23 HE3 LYS 23 1.872 14.362 -9.101
39 HZ1 LYS 23 HZ1 LYS 23 -0.174 14.255 -11.222
40 HZ2 LYS 23 HZ2 LYS 23 1.484 13.940 -11.327
41 HZ3 LYS 23 HZ3 LYS 23 0.935 15.532 -11.167
42 H SER 24 H SER 24 -0.683 7.482 -10.288
43 HA SER 24 HA SER 24 -0.670 7.342 -13.078
44 HB2 SER 24 HB2 SER 24 1.583 7.223 -13.405
45 HB3 SER 24 HB3 SER 24 1.897 6.664 -11.762
46 HG SER 24 HG SER 24 1.358 4.604 -12.368
47 H HIS 25 H HIS 25 -0.385 5.676 -10.014
48 HA HIS 25 HA HIS 25 -1.244 3.126 -10.903
49 HB2 HIS 25 HB2 HIS 25 -0.062 3.564 -8.744
50 HB3 HIS 25 HB3 HIS 25 -1.536 4.312 -8.136
51 HD1 HIS 25 HD1 HIS 25 -1.397 1.103 -10.129
52 HD2 HIS 25 HD2 HIS 25 -2.216 2.419 -6.274
53 HE1 HIS 25 HE1 HIS 25 -2.300 -0.904 -8.911
54 H GLU 26 H GLU 26 -3.278 2.110 -10.633
55 HA GLU 26 HA GLU 26 -5.488 3.730 -11.359
56 HB2 GLU 26 HB2 GLU 26 -6.720 1.739 -11.526
57 HB3 GLU 26 HB3 GLU 26 -5.075 1.269 -11.931
58 HG2 GLU 26 HG2 GLU 26 -4.764 0.426 -9.653
59 HG3 GLU 26 HG3 GLU 26 -6.425 0.874 -9.270
60 H LYS 27 H LYS 27 -4.313 2.472 -8.330
61 HA LYS 27 HA LYS 27 -6.733 3.359 -6.940
62 HB2 LYS 27 HB2 LYS 27 -4.345 1.779 -5.971
63 HB3 LYS 27 HB3 LYS 27 -5.709 2.241 -4.960
64 HG2 LYS 27 HG2 LYS 27 -7.169 0.992 -6.619
65 HG3 LYS 27 HG3 LYS 27 -5.670 0.330 -7.274
66 HD2 LYS 27 HD2 LYS 27 -6.158 0.176 -4.335
67 HD3 LYS 27 HD3 LYS 27 -7.006 -0.945 -5.403
68 HE2 LYS 27 HE2 LYS 27 -4.999 -1.885 -6.183
69 HE3 LYS 27 HE3 LYS 27 -4.033 -0.550 -5.558
70 HZ1 LYS 27 HZ1 LYS 27 -4.706 -2.963 -4.290
71 HZ2 LYS 27 HZ2 LYS 27 -5.390 -1.693 -3.408
72 HZ3 LYS 27 HZ3 LYS 27 -3.726 -1.710 -3.715
73 H TYR 28 H TYR 28 -3.861 4.641 -7.905
74 HA TYR 28 HA TYR 28 -2.836 5.970 -5.687
75 HB2 TYR 28 HB2 TYR 28 -1.399 6.682 -7.241
76 HB3 TYR 28 HB3 TYR 28 -2.441 6.018 -8.495
77 HD1 TYR 28 HD1 TYR 28 -1.805 9.064 -6.471
78 HD2 TYR 28 HD2 TYR 28 -3.607 7.437 -9.965
79 HE1 TYR 28 HE1 TYR 28 -2.253 11.339 -7.291
80 HE2 TYR 28 HE2 TYR 28 -4.059 9.708 -10.796
81 HH TYR 28 HH TYR 28 -3.639 12.507 -8.814
82 H ASP 29 H ASP 29 -3.203 7.972 -4.763
83 HA ASP 29 HA ASP 29 -5.691 9.334 -5.556
84 HB2 ASP 29 HB2 ASP 29 -4.769 8.465 -2.841
85 HB3 ASP 29 HB3 ASP 29 -5.781 9.898 -2.996
86 H TRP 30 H TRP 30 -5.543 11.472 -5.844
87 HA TRP 30 HA TRP 30 -3.113 12.793 -6.021
88 HB2 TRP 30 HB2 TRP 30 -5.614 13.397 -6.792
89 HB3 TRP 30 HB3 TRP 30 -5.495 14.447 -5.383
90 HD1 TRP 30 HD1 TRP 30 -4.872 14.513 -8.961
91 HE1 TRP 30 HE1 TRP 30 -3.288 16.437 -9.608
92 HE3 TRP 30 HE3 TRP 30 -3.077 15.681 -4.319
93 HZ2 TRP 30 HZ2 TRP 30 -1.513 18.213 -8.320
94 HZ3 TRP 30 HZ3 TRP 30 -1.439 17.505 -4.113
95 HH2 TRP 30 HH2 TRP 30 -0.673 18.743 -6.073
96 H GLU 31 H GLU 31 -5.609 13.601 -3.603
97 HA GLU 31 HA GLU 31 -3.716 14.904 -1.911
98 HB2 GLU 31 HB2 GLU 31 -6.598 14.103 -1.522
99 HB3 GLU 31 HB3 GLU 31 -5.667 14.936 -0.285
100 HG2 GLU 31 HG2 GLU 31 -6.283 16.846 -1.207
101 HG3 GLU 31 HG3 GLU 31 -5.288 16.432 -2.603
102 H LEU 32 H LEU 32 -5.596 11.896 -1.584
103 HA LEU 32 HA LEU 32 -4.594 11.045 0.853
104 HB2 LEU 32 HB2 LEU 32 -6.233 10.002 -1.145
105 HB3 LEU 32 HB3 LEU 32 -4.927 8.831 -0.974
106 HG LEU 32 HG LEU 32 -5.456 8.486 1.339
107 HD11 LEU 32 HD11 LEU 32 -7.684 9.708 2.086
108 HD12 LEU 32 HD12 LEU 32 -7.092 10.932 0.963
109 HD13 LEU 32 HD13 LEU 32 -6.094 10.432 2.328
110 HD21 LEU 32 HD21 LEU 32 -7.393 7.279 1.068
111 HD22 LEU 32 HD22 LEU 32 -6.900 7.507 -0.610
112 HD23 LEU 32 HD23 LEU 32 -8.163 8.525 0.085
113 H TRP 33 H TRP 33 -2.995 11.296 -2.150
114 HA TRP 33 HA TRP 33 -1.147 9.325 -2.272
115 HB2 TRP 33 HB2 TRP 33 -1.055 11.018 -3.924
116 HB3 TRP 33 HB3 TRP 33 -0.813 12.286 -2.725
117 HD1 TRP 33 HD1 TRP 33 1.067 9.811 -4.862
118 HE1 TRP 33 HE1 TRP 33 3.597 10.144 -4.531
119 HE3 TRP 33 HE3 TRP 33 0.951 12.995 -0.863
120 HZ2 TRP 33 HZ2 TRP 33 5.317 11.567 -2.804
121 HZ3 TRP 33 HZ3 TRP 33 3.083 13.795 0.069
122 HH2 TRP 33 HH2 TRP 33 5.220 13.095 -0.882
123 H ASP 34 H ASP 34 -1.175 12.000 0.015
124 HA ASP 34 HA ASP 34 1.367 11.721 1.109
125 HB2 ASP 34 HB2 ASP 34 -1.246 12.667 2.261
126 HB3 ASP 34 HB3 ASP 34 0.218 12.621 3.239
127 H LYS 35 H LYS 35 -1.677 10.283 2.284
128 HA LYS 35 HA LYS 35 -0.273 8.574 4.130
129 HB2 LYS 35 HB2 LYS 35 -2.453 7.758 4.760
130 HB3 LYS 35 HB3 LYS 35 -2.524 9.509 4.615
131 HG2 LYS 35 HG2 LYS 35 -4.119 9.393 3.081
132 HG3 LYS 35 HG3 LYS 35 -3.199 8.236 2.117
133 HD2 LYS 35 HD2 LYS 35 -4.600 7.338 4.603
134 HD3 LYS 35 HD3 LYS 35 -5.509 7.550 3.105
135 HE2 LYS 35 HE2 LYS 35 -4.747 5.620 2.305
136 HE3 LYS 35 HE3 LYS 35 -3.077 6.104 2.598
137 HZ1 LYS 35 HZ1 LYS 35 -4.181 4.052 3.813
138 HZ2 LYS 35 HZ2 LYS 35 -4.646 5.254 4.908
139 HZ3 LYS 35 HZ3 LYS 35 -3.007 5.011 4.565
140 H TRP 36 H TRP 36 -1.018 8.441 0.848
141 HA TRP 36 HA TRP 36 -1.140 5.526 0.755
142 HB2 TRP 36 HB2 TRP 36 -1.762 7.734 -1.125
143 HB3 TRP 36 HB3 TRP 36 -1.160 6.242 -1.842
144 HD1 TRP 36 HD1 TRP 36 -4.006 7.377 0.537
145 HE1 TRP 36 HE1 TRP 36 -6.021 5.821 0.158
146 HE3 TRP 36 HE3 TRP 36 -1.915 4.147 -2.829
147 HZ2 TRP 36 HZ2 TRP 36 -6.642 3.528 -1.366
148 HZ3 TRP 36 HZ3 TRP 36 -3.287 2.298 -3.698
149 HH2 TRP 36 HH2 TRP 36 -5.601 1.997 -2.980
150 H CYS 37 H CYS 37 1.288 7.250 1.446
151 HA CYS 37 HA CYS 37 3.243 5.588 0.303
152 HB2 CYS 37 HB2 CYS 37 2.756 6.859 -1.745
153 HB3 CYS 37 HB3 CYS 37 3.102 8.362 -0.896
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:51:38 AM GMT (wattos1)