Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
618896 | 5y0j RC | 36107 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 -17.031 1.516 -0.983
2 H2 ALA 1 HT2 ALA 1 -17.238 2.710 0.194
3 H3 ALA 1 HT3 ALA 1 -17.098 1.089 0.650
4 HA ALA 1 HA ALA 1 -14.981 2.692 -0.654
5 HB1 ALA 1 HB1 ALA 1 -15.182 1.743 2.202
6 HB2 ALA 1 HB2 ALA 1 -15.424 3.401 1.655
7 HB3 ALA 1 HB3 ALA 1 -13.843 2.641 1.490
8 H PHE 2 HN PHE 2 -13.623 1.466 -1.743
9 HA PHE 2 HA PHE 2 -13.327 -1.366 -1.010
10 HB2 PHE 2 HB2 PHE 2 -13.899 -1.074 -3.334
11 HB3 PHE 2 HB1 PHE 2 -12.661 0.157 -3.542
12 HD1 PHE 2 HD1 PHE 2 -10.514 -0.406 -4.192
13 HD2 PHE 2 HD2 PHE 2 -13.176 -3.443 -2.879
14 HE1 PHE 2 HE1 PHE 2 -8.923 -2.109 -4.944
15 HE2 PHE 2 HE2 PHE 2 -11.592 -5.163 -3.628
16 HZ PHE 2 HZ PHE 2 -9.454 -4.502 -4.665
17 H CYS 3 HN CYS 3 -11.393 -2.114 -0.268
18 HA CYS 3 HA CYS 3 -9.245 -0.117 -0.017
19 HB2 CYS 3 HB2 CYS 3 -9.922 -2.249 2.014
20 HB3 CYS 3 HB1 CYS 3 -8.752 -0.945 2.192
21 H TRP 4 HN TRP 4 -7.106 -0.875 -0.127
22 HA TRP 4 HA TRP 4 -6.630 -3.655 -0.756
23 HB2 TRP 4 HB2 TRP 4 -5.724 -3.280 -2.970
24 HB3 TRP 4 HB1 TRP 4 -7.385 -2.714 -2.923
25 HD1 TRP 4 HD1 TRP 4 -3.821 -1.517 -3.459
26 HE1 TRP 4 HE1 TRP 4 -3.870 0.917 -4.297
27 HE3 TRP 4 HE3 TRP 4 -8.779 -0.482 -2.714
28 HZ2 TRP 4 HZ2 TRP 4 -5.734 2.989 -4.589
29 HZ3 TRP 4 HZ3 TRP 4 -9.611 1.755 -3.300
30 HH2 TRP 4 HH2 TRP 4 -8.120 3.456 -4.221
31 H ASN 5 HN ASN 5 -4.280 -4.006 -1.261
32 HA ASN 5 HA ASN 5 -2.727 -2.403 0.605
33 HB2 ASN 5 HB2 ASN 5 -1.033 -4.233 0.395
34 HB3 ASN 5 HB1 ASN 5 -2.594 -4.771 0.996
35 HD21 ASN 5 HD21 ASN 5 -3.926 -6.019 -0.367
36 HD22 ASN 5 HD22 ASN 5 -3.274 -6.869 -1.725
37 H VAL 6 HN VAL 6 -1.845 -0.673 -0.229
38 HA VAL 6 HA VAL 6 -0.724 -0.678 -2.918
39 HB VAL 6 HB VAL 6 -0.641 1.537 -0.865
40 HG11 VAL 6 HG11 VAL 6 -0.200 2.986 -2.765
41 HG12 VAL 6 HG12 VAL 6 -0.288 1.602 -3.857
42 HG13 VAL 6 HG13 VAL 6 1.011 1.705 -2.668
43 HG21 VAL 6 HG21 VAL 6 -2.538 2.525 -2.080
44 HG22 VAL 6 HG22 VAL 6 -2.956 0.989 -1.323
45 HG23 VAL 6 HG23 VAL 6 -2.654 1.064 -3.058
46 H CYS 7 HN CYS 7 1.185 -1.691 -3.061
47 HA CYS 7 HA CYS 7 3.053 -1.466 -0.815
48 HB2 CYS 7 HB2 CYS 7 3.032 -3.430 -3.110
49 HB3 CYS 7 HB1 CYS 7 4.188 -3.417 -1.782
50 H VAL 8 HN VAL 8 4.337 0.191 -1.025
51 HA VAL 8 HA VAL 8 5.271 0.994 -3.689
52 HB VAL 8 HB VAL 8 5.444 2.473 -1.064
53 HG11 VAL 8 HG11 VAL 8 7.240 3.154 -2.516
54 HG12 VAL 8 HG12 VAL 8 6.022 4.431 -2.461
55 HG13 VAL 8 HG13 VAL 8 6.116 3.361 -3.861
56 HG21 VAL 8 HG21 VAL 8 3.582 2.866 -3.400
57 HG22 VAL 8 HG22 VAL 8 3.698 3.928 -1.997
58 HG23 VAL 8 HG23 VAL 8 3.143 2.265 -1.802
59 H TYR 9 HN TYR 9 7.340 0.808 -4.263
60 HA TYR 9 HA TYR 9 9.256 -0.191 -2.310
61 HB2 TYR 9 HB2 TYR 9 9.009 -0.292 -5.246
62 HB3 TYR 9 HB1 TYR 9 10.642 -0.061 -4.642
63 HD1 TYR 9 HD1 TYR 9 8.024 -2.425 -5.238
64 HD2 TYR 9 HD2 TYR 9 11.518 -1.712 -2.920
65 HE1 TYR 9 HE1 TYR 9 8.195 -4.832 -4.759
66 HE2 TYR 9 HE2 TYR 9 11.700 -4.110 -2.439
67 HH TYR 9 HH TYR 9 9.920 -6.465 -4.113
68 H ARG 10 HN ARG 10 9.885 1.493 -1.111
69 HA ARG 10 HA ARG 10 11.278 3.642 -2.535
70 HB2 ARG 10 HB2 ARG 10 10.570 5.209 -0.800
71 HB3 ARG 10 HB1 ARG 10 9.190 4.524 -1.627
72 HG2 ARG 10 HG2 ARG 10 8.831 3.004 0.223
73 HG3 ARG 10 HG1 ARG 10 10.226 3.670 1.060
74 HD2 ARG 10 HD2 ARG 10 8.112 4.604 1.900
75 HD3 ARG 10 HD1 ARG 10 9.160 5.834 1.202
76 HE ARG 10 HE ARG 10 7.622 5.329 -0.880
77 HH11 ARG 10 HH11 ARG 10 6.737 5.696 2.484
78 HH12 ARG 10 HH12 ARG 10 5.162 6.334 2.133
79 HH21 ARG 10 HH21 ARG 10 5.548 6.196 -1.350
80 HH22 ARG 10 HH22 ARG 10 4.490 6.626 -0.040
81 H ASN 11 HN ASN 11 13.278 4.043 -1.833
82 HA ASN 11 HA ASN 11 15.311 3.577 -0.913
83 HB2 ASN 11 HB2 ASN 11 13.609 3.120 1.548
84 HB3 ASN 11 HB1 ASN 11 15.367 3.120 1.564
85 HD21 ASN 11 HD21 ASN 11 12.505 5.042 1.288
86 HD22 ASN 11 HD22 ASN 11 13.278 6.584 1.416
87 H ALA 12 HN ALA 12 13.781 1.545 -2.245
88 HA ALA 12 HA ALA 12 13.832 -0.646 -2.788
89 HB1 ALA 12 HB1 ALA 12 16.079 -0.886 -0.792
90 HB2 ALA 12 HB2 ALA 12 16.259 -0.489 -2.501
91 HB3 ALA 12 HB3 ALA 12 15.641 -2.071 -2.024
92 H VAL 13 HN VAL 13 12.746 0.504 0.003
93 HA VAL 13 HA VAL 13 12.131 -2.040 1.290
94 HB VAL 13 HB VAL 13 11.265 0.748 2.078
95 HG11 VAL 13 HG11 VAL 13 11.235 -1.833 3.627
96 HG12 VAL 13 HG12 VAL 13 9.830 -0.985 2.986
97 HG13 VAL 13 HG13 VAL 13 10.798 -0.249 4.263
98 HG21 VAL 13 HG21 VAL 13 13.029 0.681 3.760
99 HG22 VAL 13 HG22 VAL 13 13.702 0.546 2.134
100 HG23 VAL 13 HG23 VAL 13 13.557 -0.887 3.153
101 H ARG 14 HN ARG 14 10.210 -3.035 1.099
102 HA ARG 14 HA ARG 14 8.230 -1.834 -0.657
103 HB2 ARG 14 HB2 ARG 14 9.116 -4.198 -0.968
104 HB3 ARG 14 HB1 ARG 14 8.219 -4.629 0.484
105 HG2 ARG 14 HG2 ARG 14 6.148 -4.000 -0.570
106 HG3 ARG 14 HG1 ARG 14 7.030 -3.426 -1.984
107 HD2 ARG 14 HD2 ARG 14 6.118 -5.599 -2.460
108 HD3 ARG 14 HD1 ARG 14 7.871 -5.717 -2.348
109 HE ARG 14 HE ARG 14 6.086 -6.478 -0.128
110 HH11 ARG 14 HH11 ARG 14 8.868 -7.101 -2.176
111 HH12 ARG 14 HH12 ARG 14 9.241 -8.614 -1.412
112 HH21 ARG 14 HH21 ARG 14 6.583 -8.455 0.876
113 HH22 ARG 14 HH22 ARG 14 7.942 -9.381 0.325
114 H VAL 15 HN VAL 15 7.007 -0.463 0.494
115 HA VAL 15 HA VAL 15 5.952 -1.389 3.074
116 HB VAL 15 HB VAL 15 5.276 1.009 3.418
117 HG11 VAL 15 HG11 VAL 15 7.278 0.073 4.444
118 HG12 VAL 15 HG12 VAL 15 7.531 1.761 3.992
119 HG13 VAL 15 HG13 VAL 15 8.214 0.472 3.002
120 HG21 VAL 15 HG21 VAL 15 5.248 1.790 1.135
121 HG22 VAL 15 HG22 VAL 15 6.965 1.434 0.956
122 HG23 VAL 15 HG23 VAL 15 6.440 2.711 2.051
123 H CYS 16 HN CYS 16 4.065 -2.344 2.937
124 HA CYS 16 HA CYS 16 2.193 -1.582 0.836
125 HB2 CYS 16 HB2 CYS 16 2.084 -3.854 2.830
126 HB3 CYS 16 HB1 CYS 16 0.925 -3.578 1.533
127 H HIS 17 HN HIS 17 0.659 -0.184 1.182
128 HA HIS 17 HA HIS 17 -0.181 0.368 3.956
129 HB2 HIS 17 HB2 HIS 17 -0.876 2.155 1.654
130 HB3 HIS 17 HB1 HIS 17 -0.678 2.566 3.348
131 HD1 HIS 17 HD1 HIS 17 0.755 3.527 0.444
132 HD2 HIS 17 HD2 HIS 17 2.419 1.811 3.846
133 HE1 HIS 17 HE1 HIS 17 3.185 4.156 0.402
134 HE2 HIS 17 HE2 HIS 17 4.112 3.291 2.577
135 H ARG 18 HN ARG 18 -2.348 0.208 4.480
136 HA ARG 18 HA ARG 18 -4.065 -0.954 2.422
137 HB2 ARG 18 HB2 ARG 18 -3.984 -2.123 4.566
138 HB3 ARG 18 HB1 ARG 18 -4.487 -0.661 5.402
139 HG2 ARG 18 HG2 ARG 18 -6.649 -0.750 4.440
140 HG3 ARG 18 HG1 ARG 18 -6.162 -2.014 3.309
141 HD2 ARG 18 HD2 ARG 18 -5.933 -3.602 5.062
142 HD3 ARG 18 HD1 ARG 18 -6.121 -2.357 6.296
143 HE ARG 18 HE ARG 18 -8.453 -2.142 5.100
144 HH11 ARG 18 HH11 ARG 18 -6.700 -5.069 5.896
145 HH12 ARG 18 HH12 ARG 18 -8.139 -6.002 6.166
146 HH21 ARG 18 HH21 ARG 18 -10.338 -3.364 5.457
147 HH22 ARG 18 HH22 ARG 18 -10.201 -5.038 5.901
148 H ARG 19 HN ARG 19 -4.834 0.640 1.169
149 HA ARG 19 HA ARG 19 -6.008 2.979 2.521
150 HB2 ARG 19 HB2 ARG 19 -5.234 4.359 0.869
151 HB3 ARG 19 HB1 ARG 19 -4.001 3.114 0.770
152 HG2 ARG 19 HG2 ARG 19 -4.465 3.094 -1.407
153 HG3 ARG 19 HG1 ARG 19 -5.905 2.175 -0.959
154 HD2 ARG 19 HD2 ARG 19 -6.614 3.967 -2.359
155 HD3 ARG 19 HD1 ARG 19 -7.106 4.362 -0.710
156 HE ARG 19 HE ARG 19 -4.568 5.453 -1.652
157 HH11 ARG 19 HH11 ARG 19 -7.963 6.004 -0.942
158 HH12 ARG 19 HH12 ARG 19 -7.803 7.733 -0.945
159 HH21 ARG 19 HH21 ARG 19 -4.372 7.726 -1.649
160 HH22 ARG 19 HH22 ARG 19 -5.771 8.708 -1.344
161 H CYS 20 HN CYS 20 -7.922 3.884 1.495
162 HA CYS 20 HA CYS 20 -9.492 1.884 0.017
163 HB2 CYS 20 HB2 CYS 20 -10.559 3.700 2.184
164 HB3 CYS 20 HB1 CYS 20 -11.447 2.440 1.335
165 H ASN 21 HN ASN 21 -11.161 2.782 -1.340
166 HA ASN 21 HA ASN 21 -10.491 5.512 -2.204
167 HB2 ASN 21 HB2 ASN 21 -11.323 4.946 -4.377
168 HB3 ASN 21 HB1 ASN 21 -10.260 3.639 -3.870
169 HD21 ASN 21 HD21 ASN 21 -12.357 3.608 -5.846
170 HD22 ASN 21 HD22 ASN 21 -13.483 2.396 -5.349
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 -16.684 -0.226 1.622
2 H2 ALA 1 HT2 ALA 1 -17.030 0.315 0.059
3 H3 ALA 1 HT3 ALA 1 -17.260 1.345 1.381
4 HA ALA 1 HA ALA 1 -15.264 1.912 0.156
5 HB1 ALA 1 HB1 ALA 1 -13.747 1.986 2.050
6 HB2 ALA 1 HB2 ALA 1 -14.697 0.756 2.885
7 HB3 ALA 1 HB3 ALA 1 -15.393 2.345 2.569
8 H PHE 2 HN PHE 2 -13.982 1.079 -1.324
9 HA PHE 2 HA PHE 2 -13.231 -1.735 -1.184
10 HB2 PHE 2 HB2 PHE 2 -14.083 -0.815 -3.305
11 HB3 PHE 2 HB1 PHE 2 -12.761 0.341 -3.336
12 HD1 PHE 2 HD1 PHE 2 -10.507 -0.371 -3.846
13 HD2 PHE 2 HD2 PHE 2 -13.756 -3.106 -3.881
14 HE1 PHE 2 HE1 PHE 2 -9.135 -1.968 -5.099
15 HE2 PHE 2 HE2 PHE 2 -12.393 -4.713 -5.137
16 HZ PHE 2 HZ PHE 2 -10.075 -4.154 -5.751
17 H CYS 3 HN CYS 3 -11.331 -2.373 -0.385
18 HA CYS 3 HA CYS 3 -9.246 -0.325 -0.006
19 HB2 CYS 3 HB2 CYS 3 -9.838 -2.674 1.803
20 HB3 CYS 3 HB1 CYS 3 -8.665 -1.395 2.091
21 H TRP 4 HN TRP 4 -7.159 -0.852 -0.493
22 HA TRP 4 HA TRP 4 -6.504 -3.635 -1.053
23 HB2 TRP 4 HB2 TRP 4 -5.560 -3.204 -3.214
24 HB3 TRP 4 HB1 TRP 4 -7.206 -2.593 -3.225
25 HD1 TRP 4 HD1 TRP 4 -3.565 -1.361 -3.210
26 HE1 TRP 4 HE1 TRP 4 -3.522 1.049 -4.110
27 HE3 TRP 4 HE3 TRP 4 -8.587 -0.509 -3.508
28 HZ2 TRP 4 HZ2 TRP 4 -5.355 3.042 -4.836
29 HZ3 TRP 4 HZ3 TRP 4 -9.360 1.678 -4.320
30 HH2 TRP 4 HH2 TRP 4 -7.781 3.421 -4.971
31 H ASN 5 HN ASN 5 -4.139 -3.926 -1.354
32 HA ASN 5 HA ASN 5 -2.750 -2.313 0.612
33 HB2 ASN 5 HB2 ASN 5 -0.970 -4.011 0.450
34 HB3 ASN 5 HB1 ASN 5 -2.536 -4.736 0.778
35 HD21 ASN 5 HD21 ASN 5 -0.113 -5.888 -0.359
36 HD22 ASN 5 HD22 ASN 5 -0.567 -6.542 -1.894
37 H VAL 6 HN VAL 6 -1.826 -0.507 -0.026
38 HA VAL 6 HA VAL 6 -0.745 -0.230 -2.713
39 HB VAL 6 HB VAL 6 -0.672 1.756 -0.434
40 HG11 VAL 6 HG11 VAL 6 -0.262 3.392 -2.223
41 HG12 VAL 6 HG12 VAL 6 -0.220 2.077 -3.397
42 HG13 VAL 6 HG13 VAL 6 1.006 2.168 -2.134
43 HG21 VAL 6 HG21 VAL 6 -2.981 1.205 -1.028
44 HG22 VAL 6 HG22 VAL 6 -2.633 1.567 -2.719
45 HG23 VAL 6 HG23 VAL 6 -2.568 2.850 -1.511
46 H CYS 7 HN CYS 7 1.145 -1.235 -2.986
47 HA CYS 7 HA CYS 7 3.087 -1.187 -0.786
48 HB2 CYS 7 HB2 CYS 7 2.896 -3.057 -3.152
49 HB3 CYS 7 HB1 CYS 7 4.109 -3.142 -1.878
50 H VAL 8 HN VAL 8 4.504 0.371 -0.979
51 HA VAL 8 HA VAL 8 5.443 1.123 -3.669
52 HB VAL 8 HB VAL 8 5.728 2.678 -1.099
53 HG11 VAL 8 HG11 VAL 8 6.242 3.469 -3.958
54 HG12 VAL 8 HG12 VAL 8 7.457 3.221 -2.702
55 HG13 VAL 8 HG13 VAL 8 6.314 4.557 -2.572
56 HG21 VAL 8 HG21 VAL 8 3.383 2.524 -1.696
57 HG22 VAL 8 HG22 VAL 8 3.748 3.045 -3.342
58 HG23 VAL 8 HG23 VAL 8 3.978 4.159 -1.993
59 H TYR 9 HN TYR 9 7.496 0.761 -4.217
60 HA TYR 9 HA TYR 9 9.331 -0.315 -2.223
61 HB2 TYR 9 HB2 TYR 9 8.929 -0.897 -4.912
62 HB3 TYR 9 HB1 TYR 9 10.410 0.047 -4.914
63 HD1 TYR 9 HD1 TYR 9 8.816 -2.911 -3.310
64 HD2 TYR 9 HD2 TYR 9 12.438 -0.962 -4.394
65 HE1 TYR 9 HE1 TYR 9 10.087 -4.906 -2.632
66 HE2 TYR 9 HE2 TYR 9 13.718 -2.951 -3.720
67 HH TYR 9 HH TYR 9 13.396 -4.908 -2.146
68 H ARG 10 HN ARG 10 10.130 1.309 -1.015
69 HA ARG 10 HA ARG 10 11.219 3.640 -2.452
70 HB2 ARG 10 HB2 ARG 10 9.076 4.118 -1.228
71 HB3 ARG 10 HB1 ARG 10 9.906 3.718 0.268
72 HG2 ARG 10 HG2 ARG 10 11.470 5.542 -0.092
73 HG3 ARG 10 HG1 ARG 10 10.682 5.923 -1.623
74 HD2 ARG 10 HD2 ARG 10 8.618 6.444 -0.454
75 HD3 ARG 10 HD1 ARG 10 9.362 6.012 1.084
76 HE ARG 10 HE ARG 10 11.004 7.897 0.437
77 HH11 ARG 10 HH11 ARG 10 7.560 7.865 -0.206
78 HH12 ARG 10 HH12 ARG 10 7.414 9.592 -0.183
79 HH21 ARG 10 HH21 ARG 10 10.814 10.165 0.455
80 HH22 ARG 10 HH22 ARG 10 9.266 10.901 0.189
81 H ASN 11 HN ASN 11 13.324 3.801 -2.195
82 HA ASN 11 HA ASN 11 15.440 3.392 -1.499
83 HB2 ASN 11 HB2 ASN 11 14.160 3.384 1.248
84 HB3 ASN 11 HB1 ASN 11 15.896 3.403 0.951
85 HD21 ASN 11 HD21 ASN 11 12.979 5.228 0.973
86 HD22 ASN 11 HD22 ASN 11 13.690 6.775 0.672
87 H ALA 12 HN ALA 12 13.856 1.296 -2.377
88 HA ALA 12 HA ALA 12 13.974 -0.926 -2.725
89 HB1 ALA 12 HB1 ALA 12 16.391 -0.850 -0.923
90 HB2 ALA 12 HB2 ALA 12 16.397 -0.568 -2.665
91 HB3 ALA 12 HB3 ALA 12 15.948 -2.150 -2.028
92 H VAL 13 HN VAL 13 12.491 0.181 -0.369
93 HA VAL 13 HA VAL 13 12.150 -2.440 0.932
94 HB VAL 13 HB VAL 13 12.905 -0.497 2.431
95 HG11 VAL 13 HG11 VAL 13 11.128 0.930 3.318
96 HG12 VAL 13 HG12 VAL 13 10.025 0.289 2.102
97 HG13 VAL 13 HG13 VAL 13 11.431 1.229 1.608
98 HG21 VAL 13 HG21 VAL 13 10.441 -2.068 3.136
99 HG22 VAL 13 HG22 VAL 13 11.504 -1.266 4.292
100 HG23 VAL 13 HG23 VAL 13 12.112 -2.602 3.315
101 H ARG 14 HN ARG 14 10.024 -3.152 1.227
102 HA ARG 14 HA ARG 14 8.102 -1.842 -0.558
103 HB2 ARG 14 HB2 ARG 14 8.662 -4.143 -1.145
104 HB3 ARG 14 HB1 ARG 14 8.186 -4.679 0.460
105 HG2 ARG 14 HG2 ARG 14 5.909 -3.975 0.041
106 HG3 ARG 14 HG1 ARG 14 6.363 -3.415 -1.570
107 HD2 ARG 14 HD2 ARG 14 6.617 -6.246 -0.582
108 HD3 ARG 14 HD1 ARG 14 5.293 -5.640 -1.573
109 HE ARG 14 HE ARG 14 7.196 -5.055 -3.200
110 HH11 ARG 14 HH11 ARG 14 7.114 -7.871 -1.116
111 HH12 ARG 14 HH12 ARG 14 8.112 -8.823 -2.164
112 HH21 ARG 14 HH21 ARG 14 8.479 -6.315 -4.586
113 HH22 ARG 14 HH22 ARG 14 8.896 -7.941 -4.139
114 H VAL 15 HN VAL 15 7.043 -0.401 0.691
115 HA VAL 15 HA VAL 15 5.876 -1.365 3.203
116 HB VAL 15 HB VAL 15 5.248 1.041 3.575
117 HG11 VAL 15 HG11 VAL 15 8.179 0.418 3.242
118 HG12 VAL 15 HG12 VAL 15 7.188 0.059 4.656
119 HG13 VAL 15 HG13 VAL 15 7.517 1.734 4.212
120 HG21 VAL 15 HG21 VAL 15 5.294 1.865 1.314
121 HG22 VAL 15 HG22 VAL 15 7.007 1.470 1.165
122 HG23 VAL 15 HG23 VAL 15 6.488 2.740 2.272
123 H CYS 16 HN CYS 16 3.859 -2.043 3.203
124 HA CYS 16 HA CYS 16 2.121 -1.237 0.978
125 HB2 CYS 16 HB2 CYS 16 1.925 -3.653 2.783
126 HB3 CYS 16 HB1 CYS 16 0.835 -3.268 1.454
127 H HIS 17 HN HIS 17 0.650 0.196 1.406
128 HA HIS 17 HA HIS 17 -0.380 0.446 4.164
129 HB2 HIS 17 HB2 HIS 17 -0.992 2.590 2.218
130 HB3 HIS 17 HB1 HIS 17 -0.534 2.712 3.908
131 HD1 HIS 17 HD1 HIS 17 0.627 3.679 0.747
132 HD2 HIS 17 HD2 HIS 17 2.477 2.036 4.082
133 HE1 HIS 17 HE1 HIS 17 3.067 4.229 0.508
134 HE2 HIS 17 HE2 HIS 17 4.100 3.467 2.676
135 H ARG 18 HN ARG 18 -2.552 0.081 4.486
136 HA ARG 18 HA ARG 18 -4.021 -0.835 2.146
137 HB2 ARG 18 HB2 ARG 18 -3.956 -2.150 4.304
138 HB3 ARG 18 HB1 ARG 18 -4.952 -0.886 5.016
139 HG2 ARG 18 HG2 ARG 18 -6.680 -1.313 3.337
140 HG3 ARG 18 HG1 ARG 18 -5.687 -2.599 2.654
141 HD2 ARG 18 HD2 ARG 18 -5.748 -3.705 4.906
142 HD3 ARG 18 HD1 ARG 18 -6.937 -2.497 5.391
143 HE ARG 18 HE ARG 18 -7.369 -4.354 3.136
144 HH11 ARG 18 HH11 ARG 18 -8.523 -2.733 6.029
145 HH12 ARG 18 HH12 ARG 18 -10.123 -3.393 5.905
146 HH21 ARG 18 HH21 ARG 18 -9.475 -5.215 2.988
147 HH22 ARG 18 HH22 ARG 18 -10.661 -4.794 4.183
148 H ARG 19 HN ARG 19 -4.820 0.826 1.022
149 HA ARG 19 HA ARG 19 -6.190 2.976 2.480
150 HB2 ARG 19 HB2 ARG 19 -5.768 4.402 0.694
151 HB3 ARG 19 HB1 ARG 19 -4.332 3.392 0.697
152 HG2 ARG 19 HG2 ARG 19 -4.754 3.227 -1.496
153 HG3 ARG 19 HG1 ARG 19 -5.912 1.992 -0.993
154 HD2 ARG 19 HD2 ARG 19 -7.040 3.461 -2.485
155 HD3 ARG 19 HD1 ARG 19 -7.644 3.799 -0.859
156 HE ARG 19 HE ARG 19 -5.451 5.488 -1.611
157 HH11 ARG 19 HH11 ARG 19 -8.920 5.086 -1.842
158 HH12 ARG 19 HH12 ARG 19 -9.221 6.762 -2.156
159 HH21 ARG 19 HH21 ARG 19 -5.857 7.700 -2.015
160 HH22 ARG 19 HH22 ARG 19 -7.486 8.246 -2.255
161 H CYS 20 HN CYS 20 -8.207 3.803 1.440
162 HA CYS 20 HA CYS 20 -9.754 1.661 0.161
163 HB2 CYS 20 HB2 CYS 20 -10.651 3.226 2.582
164 HB3 CYS 20 HB1 CYS 20 -11.597 2.010 1.733
165 H ASN 21 HN ASN 21 -11.482 2.388 -1.124
166 HA ASN 21 HA ASN 21 -11.865 5.303 -1.218
167 HB2 ASN 21 HB2 ASN 21 -12.117 5.278 -3.600
168 HB3 ASN 21 HB1 ASN 21 -10.605 4.470 -3.222
169 HD21 ASN 21 HD21 ASN 21 -10.523 2.191 -3.400
170 HD22 ASN 21 HD22 ASN 21 -11.587 1.358 -4.473
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 -17.373 0.846 2.275
2 H2 ALA 1 HT2 ALA 1 -16.576 -0.583 2.687
3 H3 ALA 1 HT3 ALA 1 -17.170 -0.368 1.122
4 HA ALA 1 HA ALA 1 -15.631 1.414 0.724
5 HB1 ALA 1 HB1 ALA 1 -15.495 2.227 3.027
6 HB2 ALA 1 HB2 ALA 1 -13.893 1.931 2.348
7 HB3 ALA 1 HB3 ALA 1 -14.596 0.781 3.485
8 H PHE 2 HN PHE 2 -14.595 0.388 -0.826
9 HA PHE 2 HA PHE 2 -13.405 -2.208 -0.450
10 HB2 PHE 2 HB2 PHE 2 -14.432 -1.675 -2.594
11 HB3 PHE 2 HB1 PHE 2 -13.370 -0.288 -2.792
12 HD1 PHE 2 HD1 PHE 2 -11.099 -0.557 -3.511
13 HD2 PHE 2 HD2 PHE 2 -13.609 -3.925 -2.882
14 HE1 PHE 2 HE1 PHE 2 -9.482 -1.979 -4.688
15 HE2 PHE 2 HE2 PHE 2 -12.008 -5.353 -4.062
16 HZ PHE 2 HZ PHE 2 -9.924 -4.339 -5.019
17 H CYS 3 HN CYS 3 -11.300 -2.644 -0.045
18 HA CYS 3 HA CYS 3 -9.418 -0.393 -0.066
19 HB2 CYS 3 HB2 CYS 3 -9.655 -2.425 2.160
20 HB3 CYS 3 HB1 CYS 3 -8.504 -1.097 2.081
21 H TRP 4 HN TRP 4 -7.211 -0.977 -0.218
22 HA TRP 4 HA TRP 4 -6.576 -3.712 -0.981
23 HB2 TRP 4 HB2 TRP 4 -5.621 -3.044 -3.144
24 HB3 TRP 4 HB1 TRP 4 -7.343 -2.691 -3.085
25 HD1 TRP 4 HD1 TRP 4 -3.930 -0.941 -3.141
26 HE1 TRP 4 HE1 TRP 4 -4.286 1.528 -3.802
27 HE3 TRP 4 HE3 TRP 4 -9.043 -0.777 -3.081
28 HZ2 TRP 4 HZ2 TRP 4 -6.385 3.271 -4.248
29 HZ3 TRP 4 HZ3 TRP 4 -10.153 1.349 -3.650
30 HH2 TRP 4 HH2 TRP 4 -8.853 3.336 -4.224
31 H ASN 5 HN ASN 5 -4.091 -3.637 -1.726
32 HA ASN 5 HA ASN 5 -2.745 -2.068 0.347
33 HB2 ASN 5 HB2 ASN 5 -0.925 -3.727 0.213
34 HB3 ASN 5 HB1 ASN 5 -2.467 -4.459 0.627
35 HD21 ASN 5 HD21 ASN 5 -0.063 -5.652 -0.501
36 HD22 ASN 5 HD22 ASN 5 -0.550 -6.396 -1.983
37 H VAL 6 HN VAL 6 -1.866 -0.278 -0.364
38 HA VAL 6 HA VAL 6 -0.659 -0.171 -3.018
39 HB VAL 6 HB VAL 6 -0.945 1.987 -0.905
40 HG11 VAL 6 HG11 VAL 6 -0.143 3.529 -2.656
41 HG12 VAL 6 HG12 VAL 6 0.199 2.147 -3.694
42 HG13 VAL 6 HG13 VAL 6 1.084 2.353 -2.185
43 HG21 VAL 6 HG21 VAL 6 -2.301 1.639 -3.582
44 HG22 VAL 6 HG22 VAL 6 -2.536 2.986 -2.471
45 HG23 VAL 6 HG23 VAL 6 -3.045 1.364 -2.010
46 H CYS 7 HN CYS 7 1.250 -1.086 -3.152
47 HA CYS 7 HA CYS 7 3.053 -1.006 -0.848
48 HB2 CYS 7 HB2 CYS 7 3.083 -2.763 -3.304
49 HB3 CYS 7 HB1 CYS 7 4.248 -2.845 -1.989
50 H VAL 8 HN VAL 8 4.400 0.627 -0.871
51 HA VAL 8 HA VAL 8 5.425 1.652 -3.419
52 HB VAL 8 HB VAL 8 5.778 2.772 -0.641
53 HG11 VAL 8 HG11 VAL 8 6.333 3.991 -3.337
54 HG12 VAL 8 HG12 VAL 8 7.529 3.510 -2.132
55 HG13 VAL 8 HG13 VAL 8 6.427 4.846 -1.797
56 HG21 VAL 8 HG21 VAL 8 4.079 4.431 -1.273
57 HG22 VAL 8 HG22 VAL 8 3.431 2.791 -1.239
58 HG23 VAL 8 HG23 VAL 8 3.808 3.556 -2.782
59 H TYR 9 HN TYR 9 7.461 1.296 -4.045
60 HA TYR 9 HA TYR 9 9.273 -0.072 -2.225
61 HB2 TYR 9 HB2 TYR 9 9.053 0.209 -5.163
62 HB3 TYR 9 HB1 TYR 9 10.683 0.142 -4.517
63 HD1 TYR 9 HD1 TYR 9 7.581 -1.694 -5.048
64 HD2 TYR 9 HD2 TYR 9 11.504 -1.877 -3.413
65 HE1 TYR 9 HE1 TYR 9 7.400 -4.140 -4.913
66 HE2 TYR 9 HE2 TYR 9 11.337 -4.325 -3.272
67 HH TYR 9 HH TYR 9 8.834 -6.094 -4.795
68 H ARG 10 HN ARG 10 10.084 1.374 -0.862
69 HA ARG 10 HA ARG 10 11.375 3.756 -2.021
70 HB2 ARG 10 HB2 ARG 10 9.386 4.151 -0.490
71 HB3 ARG 10 HB1 ARG 10 10.366 3.493 0.812
72 HG2 ARG 10 HG2 ARG 10 12.050 5.255 0.364
73 HG3 ARG 10 HG1 ARG 10 10.940 5.941 -0.828
74 HD2 ARG 10 HD2 ARG 10 9.263 6.257 0.918
75 HD3 ARG 10 HD1 ARG 10 10.373 5.580 2.109
76 HE ARG 10 HE ARG 10 11.875 7.526 1.370
77 HH11 ARG 10 HH11 ARG 10 8.378 7.650 1.502
78 HH12 ARG 10 HH12 ARG 10 8.323 9.357 1.788
79 HH21 ARG 10 HH21 ARG 10 11.805 9.779 1.732
80 HH22 ARG 10 HH22 ARG 10 10.271 10.570 1.906
81 H ASN 11 HN ASN 11 13.504 3.529 -2.035
82 HA ASN 11 HA ASN 11 15.617 2.858 -1.531
83 HB2 ASN 11 HB2 ASN 11 14.539 2.799 1.301
84 HB3 ASN 11 HB1 ASN 11 16.243 2.722 0.867
85 HD21 ASN 11 HD21 ASN 11 14.712 4.676 2.450
86 HD22 ASN 11 HD22 ASN 11 15.021 6.208 1.711
87 H ALA 12 HN ALA 12 13.865 0.961 -2.444
88 HA ALA 12 HA ALA 12 13.748 -1.250 -2.877
89 HB1 ALA 12 HB1 ALA 12 16.185 -1.275 -2.588
90 HB2 ALA 12 HB2 ALA 12 15.422 -2.781 -2.076
91 HB3 ALA 12 HB3 ALA 12 15.965 -1.612 -0.871
92 H VAL 13 HN VAL 13 12.973 0.094 0.039
93 HA VAL 13 HA VAL 13 11.999 -2.374 1.246
94 HB VAL 13 HB VAL 13 11.602 0.457 2.212
95 HG11 VAL 13 HG11 VAL 13 11.288 -2.184 3.626
96 HG12 VAL 13 HG12 VAL 13 9.987 -1.109 3.123
97 HG13 VAL 13 HG13 VAL 13 11.120 -0.596 4.372
98 HG21 VAL 13 HG21 VAL 13 13.979 -0.056 2.115
99 HG22 VAL 13 HG22 VAL 13 13.705 -1.549 3.015
100 HG23 VAL 13 HG23 VAL 13 13.428 0.011 3.789
101 H ARG 14 HN ARG 14 10.035 -3.108 0.930
102 HA ARG 14 HA ARG 14 8.146 -1.553 -0.625
103 HB2 ARG 14 HB2 ARG 14 8.763 -3.957 -1.154
104 HB3 ARG 14 HB1 ARG 14 7.888 -4.411 0.306
105 HG2 ARG 14 HG2 ARG 14 5.885 -3.264 -0.654
106 HG3 ARG 14 HG1 ARG 14 6.804 -3.097 -2.151
107 HD2 ARG 14 HD2 ARG 14 5.402 -5.047 -2.311
108 HD3 ARG 14 HD1 ARG 14 7.087 -5.557 -2.198
109 HE ARG 14 HE ARG 14 5.905 -5.469 0.374
110 HH11 ARG 14 HH11 ARG 14 5.963 -7.387 -2.556
111 HH12 ARG 14 HH12 ARG 14 5.538 -8.861 -1.745
112 HH21 ARG 14 HH21 ARG 14 5.345 -7.395 1.438
113 HH22 ARG 14 HH22 ARG 14 5.202 -8.868 0.529
114 H VAL 15 HN VAL 15 7.015 -0.183 0.647
115 HA VAL 15 HA VAL 15 5.867 -1.265 3.120
116 HB VAL 15 HB VAL 15 5.230 1.070 3.664
117 HG11 VAL 15 HG11 VAL 15 8.156 0.626 3.096
118 HG12 VAL 15 HG12 VAL 15 7.283 0.127 4.543
119 HG13 VAL 15 HG13 VAL 15 7.499 1.840 4.194
120 HG21 VAL 15 HG21 VAL 15 6.798 1.752 1.180
121 HG22 VAL 15 HG22 VAL 15 6.276 2.914 2.401
122 HG23 VAL 15 HG23 VAL 15 5.077 2.030 1.457
123 H CYS 16 HN CYS 16 3.901 -2.070 3.023
124 HA CYS 16 HA CYS 16 2.142 -1.185 0.849
125 HB2 CYS 16 HB2 CYS 16 1.973 -3.674 2.553
126 HB3 CYS 16 HB1 CYS 16 0.905 -3.271 1.215
127 H HIS 17 HN HIS 17 0.479 0.048 1.276
128 HA HIS 17 HA HIS 17 -0.347 0.401 4.087
129 HB2 HIS 17 HB2 HIS 17 -1.174 2.213 1.834
130 HB3 HIS 17 HB1 HIS 17 -1.035 2.582 3.546
131 HD1 HIS 17 HD1 HIS 17 0.341 3.820 0.769
132 HD2 HIS 17 HD2 HIS 17 2.125 1.940 4.012
133 HE1 HIS 17 HE1 HIS 17 2.730 4.587 0.763
134 HE2 HIS 17 HE2 HIS 17 3.698 3.651 2.891
135 H ARG 18 HN ARG 18 -2.648 0.479 4.548
136 HA ARG 18 HA ARG 18 -4.266 -0.953 2.600
137 HB2 ARG 18 HB2 ARG 18 -4.534 -1.629 4.930
138 HB3 ARG 18 HB1 ARG 18 -4.966 0.017 5.380
139 HG2 ARG 18 HG2 ARG 18 -7.004 -0.093 4.179
140 HG3 ARG 18 HG1 ARG 18 -6.538 -1.602 3.395
141 HD2 ARG 18 HD2 ARG 18 -6.616 -2.752 5.530
142 HD3 ARG 18 HD1 ARG 18 -7.023 -1.246 6.348
143 HE ARG 18 HE ARG 18 -9.075 -1.311 4.819
144 HH11 ARG 18 HH11 ARG 18 -7.481 -4.153 6.092
145 HH12 ARG 18 HH12 ARG 18 -8.917 -5.126 6.069
146 HH21 ARG 18 HH21 ARG 18 -10.979 -2.599 4.800
147 HH22 ARG 18 HH22 ARG 18 -10.902 -4.244 5.348
148 H ARG 19 HN ARG 19 -4.821 0.282 0.988
149 HA ARG 19 HA ARG 19 -5.677 3.036 1.465
150 HB2 ARG 19 HB2 ARG 19 -3.938 2.791 -0.166
151 HB3 ARG 19 HB1 ARG 19 -4.815 1.512 -0.989
152 HG2 ARG 19 HG2 ARG 19 -4.899 3.552 -2.248
153 HG3 ARG 19 HG1 ARG 19 -6.513 3.114 -1.684
154 HD2 ARG 19 HD2 ARG 19 -6.030 5.517 -1.489
155 HD3 ARG 19 HD1 ARG 19 -6.383 4.765 0.067
156 HE ARG 19 HE ARG 19 -3.692 4.661 -0.045
157 HH11 ARG 19 HH11 ARG 19 -5.968 7.279 -0.520
158 HH12 ARG 19 HH12 ARG 19 -4.860 8.501 0.022
159 HH21 ARG 19 HH21 ARG 19 -2.244 6.272 0.668
160 HH22 ARG 19 HH22 ARG 19 -2.755 7.931 0.699
161 H CYS 20 HN CYS 20 -7.755 3.593 1.283
162 HA CYS 20 HA CYS 20 -9.608 1.625 0.120
163 HB2 CYS 20 HB2 CYS 20 -10.121 3.547 2.400
164 HB3 CYS 20 HB1 CYS 20 -11.272 2.380 1.754
165 H ASN 21 HN ASN 21 -11.631 2.609 -0.739
166 HA ASN 21 HA ASN 21 -10.958 4.880 -2.362
167 HB2 ASN 21 HB2 ASN 21 -13.041 4.533 -3.494
168 HB3 ASN 21 HB1 ASN 21 -12.314 2.958 -3.216
169 HD21 ASN 21 HD21 ASN 21 -14.933 5.077 -2.466
170 HD22 ASN 21 HD22 ASN 21 -15.897 3.925 -1.614
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 -16.712 0.161 1.435
2 H2 ALA 1 HT2 ALA 1 -16.713 1.730 2.069
3 H3 ALA 1 HT3 ALA 1 -15.556 0.613 2.580
4 HA ALA 1 HA ALA 1 -15.796 1.638 -0.178
5 HB1 ALA 1 HB1 ALA 1 -13.809 2.351 1.975
6 HB2 ALA 1 HB2 ALA 1 -15.096 3.395 1.372
7 HB3 ALA 1 HB3 ALA 1 -13.774 2.918 0.305
8 H PHE 2 HN PHE 2 -14.207 0.868 -1.589
9 HA PHE 2 HA PHE 2 -13.161 -1.727 -0.971
10 HB2 PHE 2 HB2 PHE 2 -13.925 -1.266 -3.233
11 HB3 PHE 2 HB1 PHE 2 -12.775 0.054 -3.387
12 HD1 PHE 2 HD1 PHE 2 -10.673 -0.318 -4.247
13 HD2 PHE 2 HD2 PHE 2 -12.982 -3.614 -2.883
14 HE1 PHE 2 HE1 PHE 2 -9.002 -1.858 -5.165
15 HE2 PHE 2 HE2 PHE 2 -11.316 -5.166 -3.799
16 HZ PHE 2 HZ PHE 2 -9.316 -4.295 -4.945
17 H CYS 3 HN CYS 3 -11.264 -2.182 -0.102
18 HA CYS 3 HA CYS 3 -9.186 -0.095 -0.086
19 HB2 CYS 3 HB2 CYS 3 -9.774 -2.033 2.163
20 HB3 CYS 3 HB1 CYS 3 -8.586 -0.735 2.175
21 H TRP 4 HN TRP 4 -7.085 -0.764 -0.423
22 HA TRP 4 HA TRP 4 -6.596 -3.630 -0.699
23 HB2 TRP 4 HB2 TRP 4 -5.599 -3.379 -2.911
24 HB3 TRP 4 HB1 TRP 4 -7.278 -2.858 -2.937
25 HD1 TRP 4 HD1 TRP 4 -3.782 -1.656 -3.634
26 HE1 TRP 4 HE1 TRP 4 -3.869 0.758 -4.519
27 HE3 TRP 4 HE3 TRP 4 -8.682 -0.573 -2.622
28 HZ2 TRP 4 HZ2 TRP 4 -5.734 2.832 -4.746
29 HZ3 TRP 4 HZ3 TRP 4 -9.532 1.660 -3.205
30 HH2 TRP 4 HH2 TRP 4 -8.089 3.325 -4.245
31 H ASN 5 HN ASN 5 -4.285 -4.130 -0.953
32 HA ASN 5 HA ASN 5 -2.685 -2.406 0.740
33 HB2 ASN 5 HB2 ASN 5 -2.052 -5.066 -0.561
34 HB3 ASN 5 HB1 ASN 5 -0.964 -4.204 0.518
35 HD21 ASN 5 HD21 ASN 5 -1.515 -4.028 2.726
36 HD22 ASN 5 HD22 ASN 5 -2.635 -5.125 3.452
37 H VAL 6 HN VAL 6 -1.796 -0.689 -0.193
38 HA VAL 6 HA VAL 6 -0.719 -0.866 -2.903
39 HB VAL 6 HB VAL 6 -0.695 1.480 -0.993
40 HG11 VAL 6 HG11 VAL 6 1.062 1.566 -2.694
41 HG12 VAL 6 HG12 VAL 6 -0.157 2.815 -2.960
42 HG13 VAL 6 HG13 VAL 6 -0.152 1.359 -3.956
43 HG21 VAL 6 HG21 VAL 6 -2.974 0.922 -1.540
44 HG22 VAL 6 HG22 VAL 6 -2.575 0.836 -3.254
45 HG23 VAL 6 HG23 VAL 6 -2.508 2.382 -2.411
46 H CYS 7 HN CYS 7 1.179 -1.901 -2.985
47 HA CYS 7 HA CYS 7 3.134 -1.542 -0.862
48 HB2 CYS 7 HB2 CYS 7 2.891 -3.397 -3.187
49 HB3 CYS 7 HB1 CYS 7 4.473 -3.119 -2.482
50 H VAL 8 HN VAL 8 4.361 0.162 -0.925
51 HA VAL 8 HA VAL 8 5.269 1.205 -3.526
52 HB VAL 8 HB VAL 8 5.234 2.517 -0.807
53 HG11 VAL 8 HG11 VAL 8 7.170 3.315 -1.984
54 HG12 VAL 8 HG12 VAL 8 5.934 4.574 -2.013
55 HG13 VAL 8 HG13 VAL 8 6.218 3.585 -3.446
56 HG21 VAL 8 HG21 VAL 8 3.029 2.363 -1.803
57 HG22 VAL 8 HG22 VAL 8 3.633 3.077 -3.299
58 HG23 VAL 8 HG23 VAL 8 3.587 4.034 -1.819
59 H TYR 9 HN TYR 9 7.384 1.156 -4.025
60 HA TYR 9 HA TYR 9 9.192 -0.050 -2.094
61 HB2 TYR 9 HB2 TYR 9 9.127 0.199 -5.048
62 HB3 TYR 9 HB1 TYR 9 10.712 0.205 -4.285
63 HD1 TYR 9 HD1 TYR 9 7.653 -1.771 -4.830
64 HD2 TYR 9 HD2 TYR 9 11.612 -1.767 -3.278
65 HE1 TYR 9 HE1 TYR 9 7.576 -4.220 -4.638
66 HE2 TYR 9 HE2 TYR 9 11.548 -4.214 -3.084
67 HH TYR 9 HH TYR 9 9.991 -6.002 -2.945
68 H ARG 10 HN ARG 10 9.778 1.460 -0.719
69 HA ARG 10 HA ARG 10 10.804 4.007 -1.769
70 HB2 ARG 10 HB2 ARG 10 8.831 4.050 -0.189
71 HB3 ARG 10 HB1 ARG 10 9.895 3.396 1.046
72 HG2 ARG 10 HG2 ARG 10 11.319 5.374 0.868
73 HG3 ARG 10 HG1 ARG 10 10.240 6.019 -0.376
74 HD2 ARG 10 HD2 ARG 10 9.396 5.342 2.437
75 HD3 ARG 10 HD1 ARG 10 9.823 6.959 1.882
76 HE ARG 10 HE ARG 10 7.894 6.142 0.141
77 HH11 ARG 10 HH11 ARG 10 8.081 6.394 3.624
78 HH12 ARG 10 HH12 ARG 10 6.399 6.774 3.815
79 HH21 ARG 10 HH21 ARG 10 5.673 6.634 0.384
80 HH22 ARG 10 HH22 ARG 10 5.034 6.934 1.968
81 H ASN 11 HN ASN 11 12.943 3.938 -1.931
82 HA ASN 11 HA ASN 11 15.127 3.419 -1.596
83 HB2 ASN 11 HB2 ASN 11 14.230 3.186 1.287
84 HB3 ASN 11 HB1 ASN 11 15.910 3.143 0.769
85 HD21 ASN 11 HD21 ASN 11 14.455 4.999 2.507
86 HD22 ASN 11 HD22 ASN 11 14.707 6.569 1.831
87 H ALA 12 HN ALA 12 13.521 1.431 -2.536
88 HA ALA 12 HA ALA 12 13.549 -0.766 -3.054
89 HB1 ALA 12 HB1 ALA 12 15.987 -0.570 -2.957
90 HB2 ALA 12 HB2 ALA 12 15.427 -2.160 -2.437
91 HB3 ALA 12 HB3 ALA 12 15.944 -0.972 -1.240
92 H VAL 13 HN VAL 13 12.749 0.381 -0.111
93 HA VAL 13 HA VAL 13 12.172 -2.216 1.091
94 HB VAL 13 HB VAL 13 11.489 0.524 2.153
95 HG11 VAL 13 HG11 VAL 13 11.617 -2.146 3.541
96 HG12 VAL 13 HG12 VAL 13 10.144 -1.280 3.099
97 HG13 VAL 13 HG13 VAL 13 11.243 -0.600 4.300
98 HG21 VAL 13 HG21 VAL 13 13.448 0.297 3.604
99 HG22 VAL 13 HG22 VAL 13 13.904 0.308 1.901
100 HG23 VAL 13 HG23 VAL 13 13.869 -1.212 2.795
101 H ARG 14 HN ARG 14 10.277 -3.173 0.888
102 HA ARG 14 HA ARG 14 8.211 -1.905 -0.672
103 HB2 ARG 14 HB2 ARG 14 8.944 -4.216 -1.153
104 HB3 ARG 14 HB1 ARG 14 8.381 -4.710 0.441
105 HG2 ARG 14 HG2 ARG 14 6.108 -4.059 -0.175
106 HG3 ARG 14 HG1 ARG 14 6.701 -3.591 -1.766
107 HD2 ARG 14 HD2 ARG 14 5.676 -5.798 -1.833
108 HD3 ARG 14 HD1 ARG 14 7.398 -5.888 -2.194
109 HE ARG 14 HE ARG 14 7.182 -6.327 0.519
110 HH11 ARG 14 HH11 ARG 14 5.927 -7.840 -2.378
111 HH12 ARG 14 HH12 ARG 14 5.883 -9.429 -1.682
112 HH21 ARG 14 HH21 ARG 14 7.118 -8.424 1.438
113 HH22 ARG 14 HH22 ARG 14 6.560 -9.758 0.481
114 H VAL 15 HN VAL 15 7.098 -0.488 0.576
115 HA VAL 15 HA VAL 15 5.972 -1.503 3.092
116 HB VAL 15 HB VAL 15 5.372 0.871 3.578
117 HG11 VAL 15 HG11 VAL 15 8.297 0.323 3.089
118 HG12 VAL 15 HG12 VAL 15 7.377 -0.131 4.523
119 HG13 VAL 15 HG13 VAL 15 7.650 1.572 4.154
120 HG21 VAL 15 HG21 VAL 15 6.547 2.641 2.299
121 HG22 VAL 15 HG22 VAL 15 5.301 1.807 1.370
122 HG23 VAL 15 HG23 VAL 15 7.004 1.426 1.104
123 H CYS 16 HN CYS 16 4.021 -2.353 2.912
124 HA CYS 16 HA CYS 16 2.256 -1.368 0.803
125 HB2 CYS 16 HB2 CYS 16 2.745 -3.951 1.856
126 HB3 CYS 16 HB1 CYS 16 1.089 -3.524 2.272
127 H HIS 17 HN HIS 17 0.454 -0.292 1.170
128 HA HIS 17 HA HIS 17 -0.255 0.288 3.982
129 HB2 HIS 17 HB2 HIS 17 -0.972 2.132 1.724
130 HB3 HIS 17 HB1 HIS 17 -0.750 2.506 3.423
131 HD1 HIS 17 HD1 HIS 17 0.669 3.445 0.477
132 HD2 HIS 17 HD2 HIS 17 2.337 1.785 3.902
133 HE1 HIS 17 HE1 HIS 17 3.094 4.082 0.424
134 HE2 HIS 17 HE2 HIS 17 4.020 3.269 2.622
135 H ARG 18 HN ARG 18 -2.455 0.196 4.520
136 HA ARG 18 HA ARG 18 -4.221 -0.961 2.511
137 HB2 ARG 18 HB2 ARG 18 -4.289 -1.915 4.763
138 HB3 ARG 18 HB1 ARG 18 -4.667 -0.336 5.440
139 HG2 ARG 18 HG2 ARG 18 -6.691 -1.541 5.365
140 HG3 ARG 18 HG1 ARG 18 -6.764 -0.361 4.057
141 HD2 ARG 18 HD2 ARG 18 -7.593 -2.443 3.222
142 HD3 ARG 18 HD1 ARG 18 -6.012 -2.158 2.495
143 HE ARG 18 HE ARG 18 -5.871 -3.720 4.884
144 HH11 ARG 18 HH11 ARG 18 -6.506 -3.884 1.453
145 HH12 ARG 18 HH12 ARG 18 -6.018 -5.541 1.308
146 HH21 ARG 18 HH21 ARG 18 -5.269 -5.910 4.719
147 HH22 ARG 18 HH22 ARG 18 -5.330 -6.700 3.173
148 H ARG 19 HN ARG 19 -4.820 0.607 1.091
149 HA ARG 19 HA ARG 19 -5.894 3.090 2.254
150 HB2 ARG 19 HB2 ARG 19 -4.845 4.328 0.686
151 HB3 ARG 19 HB1 ARG 19 -3.793 2.933 0.557
152 HG2 ARG 19 HG2 ARG 19 -4.221 3.173 -1.633
153 HG3 ARG 19 HG1 ARG 19 -5.675 2.251 -1.240
154 HD2 ARG 19 HD2 ARG 19 -6.149 4.255 -2.602
155 HD3 ARG 19 HD1 ARG 19 -6.957 4.291 -1.032
156 HE ARG 19 HE ARG 19 -4.506 5.616 -0.780
157 HH11 ARG 19 HH11 ARG 19 -7.566 6.053 -2.431
158 HH12 ARG 19 HH12 ARG 19 -7.476 7.784 -2.401
159 HH21 ARG 19 HH21 ARG 19 -4.384 7.887 -0.749
160 HH22 ARG 19 HH22 ARG 19 -5.657 8.829 -1.460
161 H CYS 20 HN CYS 20 -7.719 4.044 1.169
162 HA CYS 20 HA CYS 20 -9.374 2.070 -0.258
163 HB2 CYS 20 HB2 CYS 20 -10.415 3.922 1.886
164 HB3 CYS 20 HB1 CYS 20 -11.268 2.588 1.118
165 H ASN 21 HN ASN 21 -11.104 3.044 -1.535
166 HA ASN 21 HA ASN 21 -10.446 5.805 -2.303
167 HB2 ASN 21 HB2 ASN 21 -11.143 5.367 -4.507
168 HB3 ASN 21 HB1 ASN 21 -10.249 3.927 -4.045
169 HD21 ASN 21 HD21 ASN 21 -11.356 1.995 -3.731
170 HD22 ASN 21 HD22 ASN 21 -12.971 1.765 -4.301
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 -16.992 0.407 1.038
2 H2 ALA 1 HT2 ALA 1 -16.912 1.760 2.047
3 H3 ALA 1 HT3 ALA 1 -15.984 0.391 2.392
4 HA ALA 1 HA ALA 1 -15.675 2.113 0.009
5 HB1 ALA 1 HB1 ALA 1 -13.593 2.853 1.026
6 HB2 ALA 1 HB2 ALA 1 -13.915 1.853 2.444
7 HB3 ALA 1 HB3 ALA 1 -14.962 3.223 2.076
8 H PHE 2 HN PHE 2 -13.894 1.555 -1.316
9 HA PHE 2 HA PHE 2 -13.247 -1.300 -1.243
10 HB2 PHE 2 HB2 PHE 2 -14.133 -0.292 -3.350
11 HB3 PHE 2 HB1 PHE 2 -12.719 0.752 -3.413
12 HD1 PHE 2 HD1 PHE 2 -10.553 -0.133 -3.984
13 HD2 PHE 2 HD2 PHE 2 -13.993 -2.623 -3.895
14 HE1 PHE 2 HE1 PHE 2 -9.333 -1.842 -5.245
15 HE2 PHE 2 HE2 PHE 2 -12.785 -4.346 -5.159
16 HZ PHE 2 HZ PHE 2 -10.447 -3.963 -5.841
17 H CYS 3 HN CYS 3 -11.499 -1.770 -0.088
18 HA CYS 3 HA CYS 3 -9.248 0.129 -0.118
19 HB2 CYS 3 HB2 CYS 3 -10.014 -1.728 2.142
20 HB3 CYS 3 HB1 CYS 3 -8.775 -0.479 2.174
21 H TRP 4 HN TRP 4 -7.209 -0.665 -0.455
22 HA TRP 4 HA TRP 4 -6.814 -3.550 -0.528
23 HB2 TRP 4 HB2 TRP 4 -5.950 -3.595 -2.771
24 HB3 TRP 4 HB1 TRP 4 -7.556 -2.882 -2.816
25 HD1 TRP 4 HD1 TRP 4 -3.897 -2.078 -3.485
26 HE1 TRP 4 HE1 TRP 4 -3.752 0.170 -4.718
27 HE3 TRP 4 HE3 TRP 4 -8.757 -0.554 -3.001
28 HZ2 TRP 4 HZ2 TRP 4 -5.444 2.307 -5.376
29 HZ3 TRP 4 HZ3 TRP 4 -9.407 1.619 -3.960
30 HH2 TRP 4 HH2 TRP 4 -7.782 3.018 -5.123
31 H ASN 5 HN ASN 5 -4.536 -4.128 -0.810
32 HA ASN 5 HA ASN 5 -2.868 -2.344 0.736
33 HB2 ASN 5 HB2 ASN 5 -1.251 -4.220 0.741
34 HB3 ASN 5 HB1 ASN 5 -2.842 -4.708 1.317
35 HD21 ASN 5 HD21 ASN 5 -0.402 -5.165 -1.052
36 HD22 ASN 5 HD22 ASN 5 -1.182 -6.435 -1.928
37 H VAL 6 HN VAL 6 -1.658 -0.865 -0.164
38 HA VAL 6 HA VAL 6 -0.662 -1.273 -2.897
39 HB VAL 6 HB VAL 6 -0.618 1.258 -1.245
40 HG11 VAL 6 HG11 VAL 6 -0.072 2.365 -3.346
41 HG12 VAL 6 HG12 VAL 6 -0.097 0.811 -4.183
42 HG13 VAL 6 HG13 VAL 6 1.130 1.133 -2.959
43 HG21 VAL 6 HG21 VAL 6 -2.432 2.037 -2.708
44 HG22 VAL 6 HG22 VAL 6 -2.906 0.648 -1.730
45 HG23 VAL 6 HG23 VAL 6 -2.512 0.432 -3.436
46 H CYS 7 HN CYS 7 1.223 -2.301 -2.875
47 HA CYS 7 HA CYS 7 3.155 -1.811 -0.755
48 HB2 CYS 7 HB2 CYS 7 2.816 -3.860 -2.867
49 HB3 CYS 7 HB1 CYS 7 4.458 -3.514 -2.352
50 H VAL 8 HN VAL 8 4.463 -0.171 -0.925
51 HA VAL 8 HA VAL 8 5.317 0.689 -3.618
52 HB VAL 8 HB VAL 8 5.299 2.292 -1.061
53 HG11 VAL 8 HG11 VAL 8 5.958 3.103 -3.886
54 HG12 VAL 8 HG12 VAL 8 7.071 3.034 -2.515
55 HG13 VAL 8 HG13 VAL 8 5.766 4.219 -2.533
56 HG21 VAL 8 HG21 VAL 8 3.036 1.863 -1.851
57 HG22 VAL 8 HG22 VAL 8 3.473 2.458 -3.452
58 HG23 VAL 8 HG23 VAL 8 3.464 3.559 -2.075
59 H TYR 9 HN TYR 9 7.417 0.562 -4.110
60 HA TYR 9 HA TYR 9 9.303 -0.268 -2.066
61 HB2 TYR 9 HB2 TYR 9 9.230 -0.280 -5.017
62 HB3 TYR 9 HB1 TYR 9 10.805 0.039 -4.306
63 HD1 TYR 9 HD1 TYR 9 8.197 -2.431 -4.850
64 HD2 TYR 9 HD2 TYR 9 11.903 -1.677 -2.911
65 HE1 TYR 9 HE1 TYR 9 8.487 -4.844 -4.490
66 HE2 TYR 9 HE2 TYR 9 12.210 -4.089 -2.543
67 HH TYR 9 HH TYR 9 10.393 -6.437 -4.121
68 H ARG 10 HN ARG 10 9.736 1.394 -0.792
69 HA ARG 10 HA ARG 10 10.584 3.924 -2.041
70 HB2 ARG 10 HB2 ARG 10 8.476 3.948 -0.641
71 HB3 ARG 10 HB1 ARG 10 9.477 3.544 0.745
72 HG2 ARG 10 HG2 ARG 10 10.665 5.614 0.573
73 HG3 ARG 10 HG1 ARG 10 9.861 5.989 -0.955
74 HD2 ARG 10 HD2 ARG 10 8.483 5.673 1.706
75 HD3 ARG 10 HD1 ARG 10 8.878 7.211 0.942
76 HE ARG 10 HE ARG 10 7.416 5.857 -0.932
77 HH11 ARG 10 HH11 ARG 10 6.886 6.895 2.368
78 HH12 ARG 10 HH12 ARG 10 5.167 7.041 2.181
79 HH21 ARG 10 HH21 ARG 10 5.150 6.050 -1.183
80 HH22 ARG 10 HH22 ARG 10 4.185 6.567 0.161
81 H ASN 11 HN ASN 11 12.687 4.242 -1.910
82 HA ASN 11 HA ASN 11 14.876 4.045 -1.339
83 HB2 ASN 11 HB2 ASN 11 13.765 3.497 1.425
84 HB3 ASN 11 HB1 ASN 11 15.462 3.786 1.064
85 HD21 ASN 11 HD21 ASN 11 13.601 5.255 2.769
86 HD22 ASN 11 HD22 ASN 11 13.598 6.878 2.178
87 H ALA 12 HN ALA 12 13.505 1.889 -2.436
88 HA ALA 12 HA ALA 12 13.718 -0.293 -2.967
89 HB1 ALA 12 HB1 ALA 12 16.108 0.196 -3.021
90 HB2 ALA 12 HB2 ALA 12 15.795 -1.449 -2.468
91 HB3 ALA 12 HB3 ALA 12 16.228 -0.195 -1.308
92 H VAL 13 HN VAL 13 12.491 0.636 -0.317
93 HA VAL 13 HA VAL 13 12.381 -2.037 0.923
94 HB VAL 13 HB VAL 13 11.535 0.564 2.198
95 HG11 VAL 13 HG11 VAL 13 11.966 -2.183 3.360
96 HG12 VAL 13 HG12 VAL 13 10.411 -1.394 3.096
97 HG13 VAL 13 HG13 VAL 13 11.545 -0.736 4.276
98 HG21 VAL 13 HG21 VAL 13 13.944 0.593 1.808
99 HG22 VAL 13 HG22 VAL 13 14.097 -0.974 2.600
100 HG23 VAL 13 HG23 VAL 13 13.585 0.435 3.528
101 H ARG 14 HN ARG 14 10.526 -3.112 0.778
102 HA ARG 14 HA ARG 14 8.331 -1.925 -0.661
103 HB2 ARG 14 HB2 ARG 14 9.197 -4.194 -1.182
104 HB3 ARG 14 HB1 ARG 14 8.671 -4.728 0.410
105 HG2 ARG 14 HG2 ARG 14 6.360 -4.177 -0.186
106 HG3 ARG 14 HG1 ARG 14 6.921 -3.688 -1.784
107 HD2 ARG 14 HD2 ARG 14 5.998 -5.952 -1.812
108 HD3 ARG 14 HD1 ARG 14 7.713 -5.944 -2.220
109 HE ARG 14 HE ARG 14 7.559 -6.376 0.511
110 HH11 ARG 14 HH11 ARG 14 6.444 -7.980 -2.390
111 HH12 ARG 14 HH12 ARG 14 6.561 -9.571 -1.708
112 HH21 ARG 14 HH21 ARG 14 7.709 -8.457 1.419
113 HH22 ARG 14 HH22 ARG 14 7.282 -9.845 0.471
114 H VAL 15 HN VAL 15 7.032 -0.681 0.540
115 HA VAL 15 HA VAL 15 6.041 -1.811 3.074
116 HB VAL 15 HB VAL 15 5.342 0.541 3.628
117 HG11 VAL 15 HG11 VAL 15 7.320 -0.468 4.624
118 HG12 VAL 15 HG12 VAL 15 7.595 1.245 4.312
119 HG13 VAL 15 HG13 VAL 15 8.291 0.031 3.239
120 HG21 VAL 15 HG21 VAL 15 5.358 1.513 1.419
121 HG22 VAL 15 HG22 VAL 15 7.090 1.202 1.262
122 HG23 VAL 15 HG23 VAL 15 6.506 2.369 2.451
123 H CYS 16 HN CYS 16 4.036 -2.562 3.019
124 HA CYS 16 HA CYS 16 2.241 -1.636 0.908
125 HB2 CYS 16 HB2 CYS 16 2.629 -4.150 2.225
126 HB3 CYS 16 HB1 CYS 16 0.968 -3.615 2.466
127 H HIS 17 HN HIS 17 0.565 -0.402 1.250
128 HA HIS 17 HA HIS 17 -0.227 0.168 4.038
129 HB2 HIS 17 HB2 HIS 17 -0.815 2.115 1.850
130 HB3 HIS 17 HB1 HIS 17 -0.513 2.415 3.551
131 HD1 HIS 17 HD1 HIS 17 0.953 2.896 0.364
132 HD2 HIS 17 HD2 HIS 17 2.447 1.960 4.124
133 HE1 HIS 17 HE1 HIS 17 3.388 3.478 0.285
134 HE2 HIS 17 HE2 HIS 17 4.192 3.166 2.651
135 H ARG 18 HN ARG 18 -2.439 0.036 4.477
136 HA ARG 18 HA ARG 18 -4.090 -0.991 2.305
137 HB2 ARG 18 HB2 ARG 18 -4.265 -2.176 4.417
138 HB3 ARG 18 HB1 ARG 18 -4.657 -0.686 5.262
139 HG2 ARG 18 HG2 ARG 18 -6.766 -0.527 4.121
140 HG3 ARG 18 HG1 ARG 18 -6.361 -1.903 3.099
141 HD2 ARG 18 HD2 ARG 18 -6.574 -2.060 6.097
142 HD3 ARG 18 HD1 ARG 18 -7.912 -2.410 5.003
143 HE ARG 18 HE ARG 18 -5.994 -4.018 4.058
144 HH11 ARG 18 HH11 ARG 18 -7.213 -3.490 7.295
145 HH12 ARG 18 HH12 ARG 18 -6.842 -5.095 7.841
146 HH21 ARG 18 HH21 ARG 18 -5.526 -6.147 4.762
147 HH22 ARG 18 HH22 ARG 18 -5.882 -6.608 6.394
148 H ARG 19 HN ARG 19 -4.670 0.619 1.001
149 HA ARG 19 HA ARG 19 -5.637 3.125 2.193
150 HB2 ARG 19 HB2 ARG 19 -5.089 4.216 0.198
151 HB3 ARG 19 HB1 ARG 19 -3.789 3.049 0.379
152 HG2 ARG 19 HG2 ARG 19 -4.239 2.574 -1.758
153 HG3 ARG 19 HG1 ARG 19 -5.563 1.613 -1.096
154 HD2 ARG 19 HD2 ARG 19 -6.557 2.917 -2.764
155 HD3 ARG 19 HD1 ARG 19 -6.951 3.754 -1.261
156 HE ARG 19 HE ARG 19 -4.578 4.836 -2.279
157 HH11 ARG 19 HH11 ARG 19 -7.990 4.708 -3.063
158 HH12 ARG 19 HH12 ARG 19 -7.968 6.177 -3.981
159 HH21 ARG 19 HH21 ARG 19 -4.544 6.773 -3.471
160 HH22 ARG 19 HH22 ARG 19 -6.005 7.364 -4.201
161 H CYS 20 HN CYS 20 -7.503 4.125 1.113
162 HA CYS 20 HA CYS 20 -9.366 2.143 0.004
163 HB2 CYS 20 HB2 CYS 20 -10.032 4.271 2.044
164 HB3 CYS 20 HB1 CYS 20 -11.191 3.178 1.293
165 H ASN 21 HN ASN 21 -11.060 3.077 -1.324
166 HA ASN 21 HA ASN 21 -9.978 5.141 -2.990
167 HB2 ASN 21 HB2 ASN 21 -11.948 4.775 -4.409
168 HB3 ASN 21 HB1 ASN 21 -11.141 3.264 -4.017
169 HD21 ASN 21 HD21 ASN 21 -13.852 3.753 -4.905
170 HD22 ASN 21 HD22 ASN 21 -14.888 3.083 -3.696
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 -17.901 1.274 -1.332
2 H2 ALA 1 HT2 ALA 1 -17.344 1.192 -2.926
3 H3 ALA 1 HT3 ALA 1 -17.772 2.684 -2.258
4 HA ALA 1 HA ALA 1 -15.394 2.460 -2.354
5 HB1 ALA 1 HB1 ALA 1 -16.416 2.271 0.477
6 HB2 ALA 1 HB2 ALA 1 -16.429 3.733 -0.510
7 HB3 ALA 1 HB3 ALA 1 -14.894 2.992 -0.050
8 H PHE 2 HN PHE 2 -13.562 1.287 -2.029
9 HA PHE 2 HA PHE 2 -13.706 -1.199 -0.518
10 HB2 PHE 2 HB2 PHE 2 -12.617 -2.484 -2.324
11 HB3 PHE 2 HB1 PHE 2 -14.206 -1.911 -2.807
12 HD1 PHE 2 HD1 PHE 2 -10.593 -1.452 -3.231
13 HD2 PHE 2 HD2 PHE 2 -14.473 -0.407 -4.613
14 HE1 PHE 2 HE1 PHE 2 -9.603 -0.431 -5.231
15 HE2 PHE 2 HE2 PHE 2 -13.495 0.608 -6.617
16 HZ PHE 2 HZ PHE 2 -11.053 0.554 -6.956
17 H CYS 3 HN CYS 3 -11.456 -2.106 -0.224
18 HA CYS 3 HA CYS 3 -9.463 0.049 -0.253
19 HB2 CYS 3 HB2 CYS 3 -9.903 -1.753 2.130
20 HB3 CYS 3 HB1 CYS 3 -8.875 -0.326 2.035
21 H TRP 4 HN TRP 4 -7.320 -0.622 -0.436
22 HA TRP 4 HA TRP 4 -6.838 -3.489 -0.745
23 HB2 TRP 4 HB2 TRP 4 -5.840 -3.236 -2.935
24 HB3 TRP 4 HB1 TRP 4 -7.485 -2.623 -2.979
25 HD1 TRP 4 HD1 TRP 4 -3.904 -1.586 -3.567
26 HE1 TRP 4 HE1 TRP 4 -3.846 0.826 -4.446
27 HE3 TRP 4 HE3 TRP 4 -8.771 -0.278 -2.688
28 HZ2 TRP 4 HZ2 TRP 4 -5.610 3.002 -4.705
29 HZ3 TRP 4 HZ3 TRP 4 -9.500 1.995 -3.274
30 HH2 TRP 4 HH2 TRP 4 -7.952 3.602 -4.263
31 H ASN 5 HN ASN 5 -4.500 -3.954 -1.061
32 HA ASN 5 HA ASN 5 -2.950 -2.248 0.712
33 HB2 ASN 5 HB2 ASN 5 -1.301 -4.108 0.680
34 HB3 ASN 5 HB1 ASN 5 -2.900 -4.612 1.219
35 HD21 ASN 5 HD21 ASN 5 -0.406 -5.050 -1.069
36 HD22 ASN 5 HD22 ASN 5 -1.171 -6.285 -2.005
37 H VAL 6 HN VAL 6 -1.794 -0.696 -0.075
38 HA VAL 6 HA VAL 6 -0.782 -0.819 -2.820
39 HB VAL 6 HB VAL 6 -0.731 1.483 -0.870
40 HG11 VAL 6 HG11 VAL 6 0.993 1.628 -2.588
41 HG12 VAL 6 HG12 VAL 6 -0.248 2.858 -2.834
42 HG13 VAL 6 HG13 VAL 6 -0.231 1.409 -3.838
43 HG21 VAL 6 HG21 VAL 6 -2.655 0.912 -3.109
44 HG22 VAL 6 HG22 VAL 6 -2.581 2.411 -2.187
45 HG23 VAL 6 HG23 VAL 6 -3.017 0.905 -1.384
46 H CYS 7 HN CYS 7 1.145 -1.774 -2.982
47 HA CYS 7 HA CYS 7 3.093 -1.468 -0.823
48 HB2 CYS 7 HB2 CYS 7 2.668 -3.450 -2.993
49 HB3 CYS 7 HB1 CYS 7 4.330 -3.154 -2.500
50 H VAL 8 HN VAL 8 4.748 -0.124 -0.978
51 HA VAL 8 HA VAL 8 5.484 0.867 -3.664
52 HB VAL 8 HB VAL 8 5.599 2.411 -1.071
53 HG11 VAL 8 HG11 VAL 8 6.256 3.241 -3.889
54 HG12 VAL 8 HG12 VAL 8 7.381 3.091 -2.537
55 HG13 VAL 8 HG13 VAL 8 6.138 4.343 -2.517
56 HG21 VAL 8 HG21 VAL 8 3.302 2.133 -1.812
57 HG22 VAL 8 HG22 VAL 8 3.735 2.721 -3.419
58 HG23 VAL 8 HG23 VAL 8 3.822 3.805 -2.030
59 H TYR 9 HN TYR 9 7.575 0.682 -4.191
60 HA TYR 9 HA TYR 9 9.442 -0.331 -2.207
61 HB2 TYR 9 HB2 TYR 9 9.128 -0.961 -4.830
62 HB3 TYR 9 HB1 TYR 9 10.385 0.263 -4.951
63 HD1 TYR 9 HD1 TYR 9 9.615 -2.564 -2.671
64 HD2 TYR 9 HD2 TYR 9 12.505 -0.619 -5.091
65 HE1 TYR 9 HE1 TYR 9 11.273 -4.271 -2.042
66 HE2 TYR 9 HE2 TYR 9 14.174 -2.315 -4.479
67 HH TYR 9 HH TYR 9 14.598 -3.911 -2.680
68 H ARG 10 HN ARG 10 10.032 1.327 -0.917
69 HA ARG 10 HA ARG 10 11.027 3.768 -2.234
70 HB2 ARG 10 HB2 ARG 10 9.003 4.046 -0.763
71 HB3 ARG 10 HB1 ARG 10 9.992 3.532 0.595
72 HG2 ARG 10 HG2 ARG 10 11.550 5.446 -0.026
73 HG3 ARG 10 HG1 ARG 10 10.238 6.015 -1.059
74 HD2 ARG 10 HD2 ARG 10 10.070 5.541 1.913
75 HD3 ARG 10 HD1 ARG 10 10.206 7.112 1.124
76 HE ARG 10 HE ARG 10 7.984 6.127 -0.004
77 HH11 ARG 10 HH11 ARG 10 9.019 6.318 3.334
78 HH12 ARG 10 HH12 ARG 10 7.406 6.438 3.963
79 HH21 ARG 10 HH21 ARG 10 5.850 6.282 0.822
80 HH22 ARG 10 HH22 ARG 10 5.606 6.413 2.533
81 H ASN 11 HN ASN 11 13.148 4.008 -2.134
82 HA ASN 11 HA ASN 11 15.329 3.791 -1.535
83 HB2 ASN 11 HB2 ASN 11 14.231 3.425 1.264
84 HB3 ASN 11 HB1 ASN 11 15.888 3.844 0.848
85 HD21 ASN 11 HD21 ASN 11 13.910 5.263 2.467
86 HD22 ASN 11 HD22 ASN 11 13.759 6.832 1.755
87 H ALA 12 HN ALA 12 13.939 1.549 -2.446
88 HA ALA 12 HA ALA 12 14.219 -0.655 -2.823
89 HB1 ALA 12 HB1 ALA 12 16.295 -1.735 -2.185
90 HB2 ALA 12 HB2 ALA 12 16.664 -0.418 -1.072
91 HB3 ALA 12 HB3 ALA 12 16.612 -0.118 -2.809
92 H VAL 13 HN VAL 13 12.901 0.456 -0.290
93 HA VAL 13 HA VAL 13 12.618 -2.178 1.007
94 HB VAL 13 HB VAL 13 12.032 0.486 2.305
95 HG11 VAL 13 HG11 VAL 13 10.749 -1.375 3.200
96 HG12 VAL 13 HG12 VAL 13 11.943 -0.818 4.373
97 HG13 VAL 13 HG13 VAL 13 12.234 -2.293 3.450
98 HG21 VAL 13 HG21 VAL 13 14.431 0.304 1.890
99 HG22 VAL 13 HG22 VAL 13 14.450 -1.277 2.673
100 HG23 VAL 13 HG23 VAL 13 14.075 0.168 3.613
101 H ARG 14 HN ARG 14 10.627 -3.042 0.916
102 HA ARG 14 HA ARG 14 8.611 -1.568 -0.564
103 HB2 ARG 14 HB2 ARG 14 9.361 -3.914 -1.143
104 HB3 ARG 14 HB1 ARG 14 8.568 -4.446 0.332
105 HG2 ARG 14 HG2 ARG 14 6.453 -3.660 -0.491
106 HG3 ARG 14 HG1 ARG 14 7.216 -3.060 -1.964
107 HD2 ARG 14 HD2 ARG 14 8.010 -5.425 -2.359
108 HD3 ARG 14 HD1 ARG 14 6.942 -5.913 -1.045
109 HE ARG 14 HE ARG 14 5.801 -4.432 -3.291
110 HH11 ARG 14 HH11 ARG 14 6.148 -7.437 -1.534
111 HH12 ARG 14 HH12 ARG 14 4.838 -8.218 -2.359
112 HH21 ARG 14 HH21 ARG 14 4.075 -5.464 -4.382
113 HH22 ARG 14 HH22 ARG 14 3.668 -7.101 -3.983
114 H VAL 15 HN VAL 15 6.663 -0.966 0.253
115 HA VAL 15 HA VAL 15 5.926 -1.876 2.937
116 HB VAL 15 HB VAL 15 7.160 0.270 3.138
117 HG11 VAL 15 HG11 VAL 15 4.845 1.455 1.632
118 HG12 VAL 15 HG12 VAL 15 6.502 1.306 1.042
119 HG13 VAL 15 HG13 VAL 15 6.147 2.353 2.416
120 HG21 VAL 15 HG21 VAL 15 5.558 -0.369 4.837
121 HG22 VAL 15 HG22 VAL 15 4.250 0.359 3.906
122 HG23 VAL 15 HG23 VAL 15 5.515 1.377 4.593
123 H CYS 16 HN CYS 16 3.785 -2.311 3.125
124 HA CYS 16 HA CYS 16 2.058 -1.396 0.926
125 HB2 CYS 16 HB2 CYS 16 2.441 -3.995 2.073
126 HB3 CYS 16 HB1 CYS 16 0.773 -3.492 2.312
127 H HIS 17 HN HIS 17 0.288 -0.253 1.339
128 HA HIS 17 HA HIS 17 -0.532 0.093 4.161
129 HB2 HIS 17 HB2 HIS 17 -1.191 2.175 2.120
130 HB3 HIS 17 HB1 HIS 17 -0.924 2.356 3.846
131 HD1 HIS 17 HD1 HIS 17 0.489 3.428 0.867
132 HD2 HIS 17 HD2 HIS 17 2.104 1.725 4.296
133 HE1 HIS 17 HE1 HIS 17 2.918 4.069 0.860
134 HE2 HIS 17 HE2 HIS 17 3.789 3.261 3.079
135 H ARG 18 HN ARG 18 -2.724 -0.164 4.573
136 HA ARG 18 HA ARG 18 -4.364 -1.043 2.334
137 HB2 ARG 18 HB2 ARG 18 -4.407 -2.289 4.496
138 HB3 ARG 18 HB1 ARG 18 -5.096 -0.861 5.262
139 HG2 ARG 18 HG2 ARG 18 -6.947 -1.031 3.513
140 HG3 ARG 18 HG1 ARG 18 -6.329 -2.655 3.202
141 HD2 ARG 18 HD2 ARG 18 -8.146 -2.764 4.792
142 HD3 ARG 18 HD1 ARG 18 -6.633 -3.194 5.586
143 HE ARG 18 HE ARG 18 -7.768 -0.483 5.798
144 HH11 ARG 18 HH11 ARG 18 -6.530 -3.400 7.304
145 HH12 ARG 18 HH12 ARG 18 -6.511 -2.710 8.895
146 HH21 ARG 18 HH21 ARG 18 -7.722 0.419 7.875
147 HH22 ARG 18 HH22 ARG 18 -7.180 -0.538 9.220
148 H ARG 19 HN ARG 19 -5.009 0.666 1.155
149 HA ARG 19 HA ARG 19 -6.293 2.883 2.613
150 HB2 ARG 19 HB2 ARG 19 -5.455 4.436 1.103
151 HB3 ARG 19 HB1 ARG 19 -4.112 3.318 1.262
152 HG2 ARG 19 HG2 ARG 19 -4.092 3.220 -0.951
153 HG3 ARG 19 HG1 ARG 19 -5.592 2.294 -0.845
154 HD2 ARG 19 HD2 ARG 19 -5.927 4.128 -2.360
155 HD3 ARG 19 HD1 ARG 19 -6.852 4.434 -0.888
156 HE ARG 19 HE ARG 19 -4.218 5.617 -0.912
157 HH11 ARG 19 HH11 ARG 19 -7.609 6.067 -1.653
158 HH12 ARG 19 HH12 ARG 19 -7.491 7.798 -1.731
159 HH21 ARG 19 HH21 ARG 19 -4.064 7.889 -1.002
160 HH22 ARG 19 HH22 ARG 19 -5.470 8.832 -1.367
161 H CYS 20 HN CYS 20 -7.998 3.986 1.307
162 HA CYS 20 HA CYS 20 -9.508 1.989 -0.244
163 HB2 CYS 20 HB2 CYS 20 -10.702 4.100 1.550
164 HB3 CYS 20 HB1 CYS 20 -11.534 2.745 0.792
165 H ASN 21 HN ASN 21 -11.288 3.108 -1.596
166 HA ASN 21 HA ASN 21 -9.907 5.192 -3.091
167 HB2 ASN 21 HB2 ASN 21 -11.568 4.735 -4.873
168 HB3 ASN 21 HB1 ASN 21 -10.669 3.302 -4.397
169 HD21 ASN 21 HD21 ASN 21 -13.227 3.529 -5.736
170 HD22 ASN 21 HD22 ASN 21 -14.371 2.687 -4.753
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 -17.459 0.579 2.488
2 H2 ALA 1 HT2 ALA 1 -16.531 -0.799 2.795
3 H3 ALA 1 HT3 ALA 1 -17.303 -0.615 1.303
4 HA ALA 1 HA ALA 1 -15.926 1.255 0.761
5 HB1 ALA 1 HB1 ALA 1 -14.073 1.887 2.216
6 HB2 ALA 1 HB2 ALA 1 -14.608 0.709 3.415
7 HB3 ALA 1 HB3 ALA 1 -15.625 2.097 3.027
8 H PHE 2 HN PHE 2 -14.615 0.572 -0.794
9 HA PHE 2 HA PHE 2 -13.414 -2.062 -0.598
10 HB2 PHE 2 HB2 PHE 2 -14.479 -1.491 -2.698
11 HB3 PHE 2 HB1 PHE 2 -13.489 -0.046 -2.851
12 HD1 PHE 2 HD1 PHE 2 -11.459 -0.111 -3.944
13 HD2 PHE 2 HD2 PHE 2 -13.311 -3.744 -2.738
14 HE1 PHE 2 HE1 PHE 2 -9.786 -1.377 -5.205
15 HE2 PHE 2 HE2 PHE 2 -11.635 -5.018 -4.002
16 HZ PHE 2 HZ PHE 2 -9.864 -3.838 -5.240
17 H CYS 3 HN CYS 3 -11.436 -2.388 0.101
18 HA CYS 3 HA CYS 3 -9.489 -0.195 -0.087
19 HB2 CYS 3 HB2 CYS 3 -9.705 -2.224 2.144
20 HB3 CYS 3 HB1 CYS 3 -8.552 -0.900 2.049
21 H TRP 4 HN TRP 4 -7.326 -0.785 -0.422
22 HA TRP 4 HA TRP 4 -6.763 -3.572 -1.091
23 HB2 TRP 4 HB2 TRP 4 -5.835 -2.978 -3.277
24 HB3 TRP 4 HB1 TRP 4 -7.533 -2.530 -3.198
25 HD1 TRP 4 HD1 TRP 4 -4.048 -1.034 -3.509
26 HE1 TRP 4 HE1 TRP 4 -4.256 1.467 -4.107
27 HE3 TRP 4 HE3 TRP 4 -9.100 -0.448 -2.938
28 HZ2 TRP 4 HZ2 TRP 4 -6.237 3.388 -4.316
29 HZ3 TRP 4 HZ3 TRP 4 -10.072 1.772 -3.366
30 HH2 TRP 4 HH2 TRP 4 -8.671 3.654 -4.045
31 H ASN 5 HN ASN 5 -4.304 -3.652 -1.795
32 HA ASN 5 HA ASN 5 -2.882 -2.143 0.275
33 HB2 ASN 5 HB2 ASN 5 -1.142 -3.875 0.130
34 HB3 ASN 5 HB1 ASN 5 -2.716 -4.567 0.498
35 HD21 ASN 5 HD21 ASN 5 -0.312 -5.771 -0.658
36 HD22 ASN 5 HD22 ASN 5 -0.806 -6.457 -2.168
37 H VAL 6 HN VAL 6 -1.917 -0.369 -0.437
38 HA VAL 6 HA VAL 6 -0.667 -0.367 -3.082
39 HB VAL 6 HB VAL 6 -0.799 1.896 -1.072
40 HG11 VAL 6 HG11 VAL 6 0.029 1.849 -3.974
41 HG12 VAL 6 HG12 VAL 6 1.093 2.081 -2.586
42 HG13 VAL 6 HG13 VAL 6 -0.126 3.296 -2.975
43 HG21 VAL 6 HG21 VAL 6 -2.526 2.856 -2.506
44 HG22 VAL 6 HG22 VAL 6 -3.025 1.272 -1.919
45 HG23 VAL 6 HG23 VAL 6 -2.441 1.452 -3.568
46 H CYS 7 HN CYS 7 1.217 -1.364 -3.106
47 HA CYS 7 HA CYS 7 2.972 -1.159 -0.771
48 HB2 CYS 7 HB2 CYS 7 3.115 -3.040 -3.134
49 HB3 CYS 7 HB1 CYS 7 4.167 -3.076 -1.721
50 H VAL 8 HN VAL 8 4.304 0.497 -0.877
51 HA VAL 8 HA VAL 8 5.325 1.352 -3.487
52 HB VAL 8 HB VAL 8 5.606 2.695 -0.797
53 HG11 VAL 8 HG11 VAL 8 6.276 3.680 -3.565
54 HG12 VAL 8 HG12 VAL 8 7.420 3.308 -2.273
55 HG13 VAL 8 HG13 VAL 8 6.304 4.664 -2.100
56 HG21 VAL 8 HG21 VAL 8 3.284 2.657 -1.523
57 HG22 VAL 8 HG22 VAL 8 3.750 3.322 -3.088
58 HG23 VAL 8 HG23 VAL 8 3.939 4.292 -1.628
59 H TYR 9 HN TYR 9 7.359 1.021 -4.083
60 HA TYR 9 HA TYR 9 9.211 -0.134 -2.142
61 HB2 TYR 9 HB2 TYR 9 8.856 -0.372 -5.050
62 HB3 TYR 9 HB1 TYR 9 10.528 -0.202 -4.537
63 HD1 TYR 9 HD1 TYR 9 7.582 -2.354 -4.520
64 HD2 TYR 9 HD2 TYR 9 11.573 -1.895 -3.121
65 HE1 TYR 9 HE1 TYR 9 7.640 -4.738 -3.916
66 HE2 TYR 9 HE2 TYR 9 11.649 -4.273 -2.515
67 HH TYR 9 HH TYR 9 9.295 -6.510 -3.549
68 H ARG 10 HN ARG 10 10.010 1.525 -1.035
69 HA ARG 10 HA ARG 10 11.461 3.567 -2.566
70 HB2 ARG 10 HB2 ARG 10 10.945 5.174 -0.806
71 HB3 ARG 10 HB1 ARG 10 9.468 4.541 -1.506
72 HG2 ARG 10 HG2 ARG 10 9.256 3.010 0.401
73 HG3 ARG 10 HG1 ARG 10 10.697 3.730 1.114
74 HD2 ARG 10 HD2 ARG 10 8.179 5.235 0.424
75 HD3 ARG 10 HD1 ARG 10 8.592 4.647 2.035
76 HE ARG 10 HE ARG 10 10.706 6.226 1.045
77 HH11 ARG 10 HH11 ARG 10 7.416 6.534 2.182
78 HH12 ARG 10 HH12 ARG 10 7.639 8.143 2.795
79 HH21 ARG 10 HH21 ARG 10 11.022 8.333 1.858
80 HH22 ARG 10 HH22 ARG 10 9.707 9.165 2.622
81 H ASN 11 HN ASN 11 13.518 3.926 -1.924
82 HA ASN 11 HA ASN 11 15.570 3.369 -1.100
83 HB2 ASN 11 HB2 ASN 11 14.067 2.781 1.467
84 HB3 ASN 11 HB1 ASN 11 15.792 3.089 1.318
85 HD21 ASN 11 HD21 ASN 11 13.741 4.460 2.876
86 HD22 ASN 11 HD22 ASN 11 13.801 6.116 2.387
87 H ALA 12 HN ALA 12 13.904 1.376 -2.368
88 HA ALA 12 HA ALA 12 13.799 -0.824 -2.865
89 HB1 ALA 12 HB1 ALA 12 15.638 -2.283 -2.284
90 HB2 ALA 12 HB2 ALA 12 16.212 -1.123 -1.086
91 HB3 ALA 12 HB3 ALA 12 16.250 -0.711 -2.801
92 H VAL 13 HN VAL 13 12.772 0.365 -0.161
93 HA VAL 13 HA VAL 13 12.259 -2.180 1.211
94 HB VAL 13 HB VAL 13 11.589 0.612 2.151
95 HG11 VAL 13 HG11 VAL 13 11.651 -2.014 3.632
96 HG12 VAL 13 HG12 VAL 13 10.205 -1.127 3.151
97 HG13 VAL 13 HG13 VAL 13 11.307 -0.436 4.343
98 HG21 VAL 13 HG21 VAL 13 14.006 0.353 1.949
99 HG22 VAL 13 HG22 VAL 13 13.934 -1.125 2.907
100 HG23 VAL 13 HG23 VAL 13 13.519 0.421 3.645
101 H ARG 14 HN ARG 14 10.285 -3.084 1.191
102 HA ARG 14 HA ARG 14 8.208 -1.844 -0.399
103 HB2 ARG 14 HB2 ARG 14 8.768 -4.157 -0.870
104 HB3 ARG 14 HB1 ARG 14 8.484 -4.601 0.810
105 HG2 ARG 14 HG2 ARG 14 6.134 -4.021 0.563
106 HG3 ARG 14 HG1 ARG 14 6.443 -3.568 -1.109
107 HD2 ARG 14 HD2 ARG 14 6.976 -5.812 -1.706
108 HD3 ARG 14 HD1 ARG 14 6.978 -6.318 -0.016
109 HE ARG 14 HE ARG 14 4.475 -5.436 -0.299
110 HH11 ARG 14 HH11 ARG 14 6.386 -7.577 -2.311
111 HH12 ARG 14 HH12 ARG 14 5.010 -8.466 -2.882
112 HH21 ARG 14 HH21 ARG 14 2.675 -6.624 -1.026
113 HH22 ARG 14 HH22 ARG 14 2.903 -7.936 -2.141
114 H VAL 15 HN VAL 15 6.826 -0.544 0.629
115 HA VAL 15 HA VAL 15 5.825 -1.449 3.245
116 HB VAL 15 HB VAL 15 5.170 0.929 3.677
117 HG11 VAL 15 HG11 VAL 15 7.419 1.644 4.323
118 HG12 VAL 15 HG12 VAL 15 8.112 0.402 3.281
119 HG13 VAL 15 HG13 VAL 15 7.155 -0.063 4.687
120 HG21 VAL 15 HG21 VAL 15 6.391 2.680 2.402
121 HG22 VAL 15 HG22 VAL 15 5.156 1.839 1.466
122 HG23 VAL 15 HG23 VAL 15 6.860 1.440 1.236
123 H CYS 16 HN CYS 16 3.957 -2.432 2.960
124 HA CYS 16 HA CYS 16 2.137 -1.539 0.871
125 HB2 CYS 16 HB2 CYS 16 2.013 -3.925 2.721
126 HB3 CYS 16 HB1 CYS 16 0.836 -3.565 1.460
127 H HIS 17 HN HIS 17 0.614 -0.143 1.249
128 HA HIS 17 HA HIS 17 -0.217 0.366 4.026
129 HB2 HIS 17 HB2 HIS 17 -0.897 2.124 1.681
130 HB3 HIS 17 HB1 HIS 17 -0.787 2.558 3.379
131 HD1 HIS 17 HD1 HIS 17 0.835 3.322 0.453
132 HD2 HIS 17 HD2 HIS 17 2.243 1.991 4.128
133 HE1 HIS 17 HE1 HIS 17 3.241 4.011 0.542
134 HE2 HIS 17 HE2 HIS 17 3.993 3.412 2.872
135 H ARG 18 HN ARG 18 -2.454 0.435 4.551
136 HA ARG 18 HA ARG 18 -4.155 -1.025 2.698
137 HB2 ARG 18 HB2 ARG 18 -4.084 -1.576 5.159
138 HB3 ARG 18 HB1 ARG 18 -4.832 -0.016 5.468
139 HG2 ARG 18 HG2 ARG 18 -6.528 -1.693 5.510
140 HG3 ARG 18 HG1 ARG 18 -6.747 -0.715 4.056
141 HD2 ARG 18 HD2 ARG 18 -5.607 -2.433 2.734
142 HD3 ARG 18 HD1 ARG 18 -5.395 -3.409 4.185
143 HE ARG 18 HE ARG 18 -8.110 -2.934 3.967
144 HH11 ARG 18 HH11 ARG 18 -5.615 -4.496 2.085
145 HH12 ARG 18 HH12 ARG 18 -6.698 -5.628 1.338
146 HH21 ARG 18 HH21 ARG 18 -9.554 -4.436 2.998
147 HH22 ARG 18 HH22 ARG 18 -8.945 -5.585 1.846
148 H ARG 19 HN ARG 19 -4.838 0.249 1.134
149 HA ARG 19 HA ARG 19 -5.627 3.009 1.764
150 HB2 ARG 19 HB2 ARG 19 -3.913 3.206 0.250
151 HB3 ARG 19 HB1 ARG 19 -4.281 1.680 -0.527
152 HG2 ARG 19 HG2 ARG 19 -4.683 3.404 -2.089
153 HG3 ARG 19 HG1 ARG 19 -6.247 2.774 -1.588
154 HD2 ARG 19 HD2 ARG 19 -6.339 5.156 -1.736
155 HD3 ARG 19 HD1 ARG 19 -6.481 4.674 -0.048
156 HE ARG 19 HE ARG 19 -3.809 5.185 -0.449
157 HH11 ARG 19 HH11 ARG 19 -6.803 6.976 -0.696
158 HH12 ARG 19 HH12 ARG 19 -6.059 8.513 -0.395
159 HH21 ARG 19 HH21 ARG 19 -2.821 7.220 -0.049
160 HH22 ARG 19 HH22 ARG 19 -3.802 8.650 -0.018
161 H CYS 20 HN CYS 20 -7.639 3.681 1.375
162 HA CYS 20 HA CYS 20 -9.478 1.818 0.019
163 HB2 CYS 20 HB2 CYS 20 -10.183 3.716 2.266
164 HB3 CYS 20 HB1 CYS 20 -11.219 2.486 1.554
165 H ASN 21 HN ASN 21 -11.633 3.200 -0.492
166 HA ASN 21 HA ASN 21 -10.860 5.843 -1.461
167 HB2 ASN 21 HB2 ASN 21 -11.605 5.498 -3.677
168 HB3 ASN 21 HB1 ASN 21 -10.606 4.101 -3.306
169 HD21 ASN 21 HD21 ASN 21 -11.662 2.094 -2.866
170 HD22 ASN 21 HD22 ASN 21 -13.239 1.786 -3.505
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 -17.700 0.496 -0.378
2 H2 ALA 1 HT2 ALA 1 -17.469 0.733 -2.033
3 H3 ALA 1 HT3 ALA 1 -17.914 2.032 -1.052
4 HA ALA 1 HA ALA 1 -15.584 2.135 -1.632
5 HB1 ALA 1 HB1 ALA 1 -14.686 2.392 0.616
6 HB2 ALA 1 HB2 ALA 1 -16.056 1.495 1.277
7 HB3 ALA 1 HB3 ALA 1 -16.315 3.061 0.507
8 H PHE 2 HN PHE 2 -13.563 1.218 -1.677
9 HA PHE 2 HA PHE 2 -13.326 -1.593 -0.866
10 HB2 PHE 2 HB2 PHE 2 -13.778 -1.729 -3.212
11 HB3 PHE 2 HB1 PHE 2 -12.669 -0.413 -3.572
12 HD1 PHE 2 HD1 PHE 2 -10.571 -0.890 -4.311
13 HD2 PHE 2 HD2 PHE 2 -12.701 -3.832 -2.107
14 HE1 PHE 2 HE1 PHE 2 -8.768 -2.494 -4.727
15 HE2 PHE 2 HE2 PHE 2 -10.903 -5.451 -2.521
16 HZ PHE 2 HZ PHE 2 -8.926 -4.788 -3.836
17 H CYS 3 HN CYS 3 -11.438 -2.049 0.122
18 HA CYS 3 HA CYS 3 -9.321 -0.003 0.023
19 HB2 CYS 3 HB2 CYS 3 -9.890 -1.902 2.308
20 HB3 CYS 3 HB1 CYS 3 -8.735 -0.570 2.304
21 H TRP 4 HN TRP 4 -7.205 -0.699 -0.237
22 HA TRP 4 HA TRP 4 -6.726 -3.563 -0.483
23 HB2 TRP 4 HB2 TRP 4 -5.813 -3.414 -2.715
24 HB3 TRP 4 HB1 TRP 4 -7.462 -2.807 -2.732
25 HD1 TRP 4 HD1 TRP 4 -3.865 -1.738 -3.326
26 HE1 TRP 4 HE1 TRP 4 -3.850 0.604 -4.387
27 HE3 TRP 4 HE3 TRP 4 -8.811 -0.543 -2.760
28 HZ2 TRP 4 HZ2 TRP 4 -5.670 2.677 -4.904
29 HZ3 TRP 4 HZ3 TRP 4 -9.588 1.645 -3.567
30 HH2 TRP 4 HH2 TRP 4 -8.052 3.224 -4.617
31 H ASN 5 HN ASN 5 -4.360 -3.980 -0.960
32 HA ASN 5 HA ASN 5 -2.794 -2.186 0.718
33 HB2 ASN 5 HB2 ASN 5 -1.107 -3.985 0.756
34 HB3 ASN 5 HB1 ASN 5 -2.680 -4.546 1.305
35 HD21 ASN 5 HD21 ASN 5 -3.827 -6.013 0.037
36 HD22 ASN 5 HD22 ASN 5 -3.074 -6.903 -1.240
37 H VAL 6 HN VAL 6 -1.626 -0.664 -0.158
38 HA VAL 6 HA VAL 6 -0.684 -0.952 -2.927
39 HB VAL 6 HB VAL 6 -0.507 1.513 -1.190
40 HG11 VAL 6 HG11 VAL 6 -0.338 1.153 -4.179
41 HG12 VAL 6 HG12 VAL 6 1.022 1.434 -3.093
42 HG13 VAL 6 HG13 VAL 6 -0.207 2.680 -3.308
43 HG21 VAL 6 HG21 VAL 6 -2.844 0.965 -1.401
44 HG22 VAL 6 HG22 VAL 6 -2.669 0.748 -3.142
45 HG23 VAL 6 HG23 VAL 6 -2.473 2.348 -2.430
46 H CYS 7 HN CYS 7 1.228 -1.963 -2.999
47 HA CYS 7 HA CYS 7 3.190 -1.506 -0.895
48 HB2 CYS 7 HB2 CYS 7 2.799 -3.555 -2.977
49 HB3 CYS 7 HB1 CYS 7 4.468 -3.164 -2.595
50 H VAL 8 HN VAL 8 4.458 0.139 -1.051
51 HA VAL 8 HA VAL 8 5.331 1.054 -3.715
52 HB VAL 8 HB VAL 8 5.456 2.534 -1.085
53 HG11 VAL 8 HG11 VAL 8 7.223 3.242 -2.570
54 HG12 VAL 8 HG12 VAL 8 5.993 4.501 -2.468
55 HG13 VAL 8 HG13 VAL 8 6.068 3.454 -3.886
56 HG21 VAL 8 HG21 VAL 8 3.152 2.264 -1.818
57 HG22 VAL 8 HG22 VAL 8 3.573 2.893 -3.412
58 HG23 VAL 8 HG23 VAL 8 3.663 3.943 -1.997
59 H TYR 9 HN TYR 9 7.404 0.827 -4.256
60 HA TYR 9 HA TYR 9 9.260 -0.263 -2.303
61 HB2 TYR 9 HB2 TYR 9 8.928 -0.716 -4.993
62 HB3 TYR 9 HB1 TYR 9 10.287 0.399 -4.982
63 HD1 TYR 9 HD1 TYR 9 9.131 -2.711 -3.263
64 HD2 TYR 9 HD2 TYR 9 12.394 -0.465 -4.793
65 HE1 TYR 9 HE1 TYR 9 10.650 -4.569 -2.723
66 HE2 TYR 9 HE2 TYR 9 13.928 -2.314 -4.261
67 HH TYR 9 HH TYR 9 14.012 -4.242 -2.707
68 H ARG 10 HN ARG 10 9.857 1.333 -0.955
69 HA ARG 10 HA ARG 10 10.966 3.778 -2.170
70 HB2 ARG 10 HB2 ARG 10 8.768 4.082 -0.959
71 HB3 ARG 10 HB1 ARG 10 9.595 3.609 0.517
72 HG2 ARG 10 HG2 ARG 10 11.067 5.518 0.350
73 HG3 ARG 10 HG1 ARG 10 10.348 5.954 -1.202
74 HD2 ARG 10 HD2 ARG 10 8.820 5.805 1.386
75 HD3 ARG 10 HD1 ARG 10 9.502 7.289 0.724
76 HE ARG 10 HE ARG 10 8.042 6.630 -1.312
77 HH11 ARG 10 HH11 ARG 10 7.203 6.197 2.053
78 HH12 ARG 10 HH12 ARG 10 5.497 6.340 1.779
79 HH21 ARG 10 HH21 ARG 10 5.803 6.825 -1.683
80 HH22 ARG 10 HH22 ARG 10 4.695 6.698 -0.351
81 H ASN 11 HN ASN 11 13.033 4.121 -1.726
82 HA ASN 11 HA ASN 11 15.141 3.787 -0.951
83 HB2 ASN 11 HB2 ASN 11 13.692 3.232 1.650
84 HB3 ASN 11 HB1 ASN 11 15.437 3.415 1.502
85 HD21 ASN 11 HD21 ASN 11 13.530 4.984 3.037
86 HD22 ASN 11 HD22 ASN 11 13.691 6.612 2.480
87 H ALA 12 HN ALA 12 13.775 1.683 -2.225
88 HA ALA 12 HA ALA 12 13.967 -0.497 -2.778
89 HB1 ALA 12 HB1 ALA 12 15.975 -1.713 -2.142
90 HB2 ALA 12 HB2 ALA 12 16.344 -0.501 -0.914
91 HB3 ALA 12 HB3 ALA 12 16.379 -0.065 -2.622
92 H VAL 13 HN VAL 13 12.581 0.442 -0.226
93 HA VAL 13 HA VAL 13 12.295 -2.221 0.998
94 HB VAL 13 HB VAL 13 11.504 0.445 2.177
95 HG11 VAL 13 HG11 VAL 13 10.128 -1.409 2.964
96 HG12 VAL 13 HG12 VAL 13 11.168 -0.797 4.250
97 HG13 VAL 13 HG13 VAL 13 11.581 -2.298 3.419
98 HG21 VAL 13 HG21 VAL 13 13.389 0.132 3.713
99 HG22 VAL 13 HG22 VAL 13 13.921 0.266 2.037
100 HG23 VAL 13 HG23 VAL 13 13.862 -1.314 2.821
101 H ARG 14 HN ARG 14 10.353 -3.200 0.882
102 HA ARG 14 HA ARG 14 8.302 -1.906 -0.723
103 HB2 ARG 14 HB2 ARG 14 9.056 -4.142 -1.375
104 HB3 ARG 14 HB1 ARG 14 8.583 -4.764 0.201
105 HG2 ARG 14 HG2 ARG 14 6.272 -4.221 -0.265
106 HG3 ARG 14 HG1 ARG 14 6.727 -3.577 -1.844
107 HD2 ARG 14 HD2 ARG 14 7.180 -6.409 -0.931
108 HD3 ARG 14 HD1 ARG 14 5.841 -5.882 -1.949
109 HE ARG 14 HE ARG 14 7.739 -5.097 -3.492
110 HH11 ARG 14 HH11 ARG 14 7.875 -7.942 -1.456
111 HH12 ARG 14 HH12 ARG 14 8.951 -8.795 -2.514
112 HH21 ARG 14 HH21 ARG 14 9.149 -6.220 -4.885
113 HH22 ARG 14 HH22 ARG 14 9.676 -7.819 -4.460
114 H VAL 15 HN VAL 15 6.888 -0.739 0.395
115 HA VAL 15 HA VAL 15 5.846 -1.897 2.894
116 HB VAL 15 HB VAL 15 5.225 0.428 3.562
117 HG11 VAL 15 HG11 VAL 15 7.191 -0.632 4.499
118 HG12 VAL 15 HG12 VAL 15 7.505 1.083 4.233
119 HG13 VAL 15 HG13 VAL 15 8.156 -0.117 3.118
120 HG21 VAL 15 HG21 VAL 15 6.443 2.292 2.468
121 HG22 VAL 15 HG22 VAL 15 5.212 1.551 1.449
122 HG23 VAL 15 HG23 VAL 15 6.919 1.178 1.185
123 H CYS 16 HN CYS 16 3.852 -2.610 2.748
124 HA CYS 16 HA CYS 16 2.081 -1.557 0.682
125 HB2 CYS 16 HB2 CYS 16 2.303 -4.091 2.113
126 HB3 CYS 16 HB1 CYS 16 0.652 -3.485 2.040
127 H HIS 17 HN HIS 17 0.543 -0.159 1.093
128 HA HIS 17 HA HIS 17 -0.149 0.381 3.906
129 HB2 HIS 17 HB2 HIS 17 -0.758 2.251 1.632
130 HB3 HIS 17 HB1 HIS 17 -0.600 2.618 3.341
131 HD1 HIS 17 HD1 HIS 17 1.086 3.111 0.302
132 HD2 HIS 17 HD2 HIS 17 2.330 2.137 4.140
133 HE1 HIS 17 HE1 HIS 17 3.517 3.700 0.389
134 HE2 HIS 17 HE2 HIS 17 4.170 3.358 2.800
135 H ARG 18 HN ARG 18 -2.314 0.439 4.494
136 HA ARG 18 HA ARG 18 -4.135 -0.840 2.612
137 HB2 ARG 18 HB2 ARG 18 -3.932 -1.697 4.938
138 HB3 ARG 18 HB1 ARG 18 -4.519 -0.152 5.532
139 HG2 ARG 18 HG2 ARG 18 -6.336 -1.655 5.579
140 HG3 ARG 18 HG1 ARG 18 -6.614 -0.548 4.235
141 HD2 ARG 18 HD2 ARG 18 -5.843 -2.214 2.658
142 HD3 ARG 18 HD1 ARG 18 -5.434 -3.310 3.978
143 HE ARG 18 HE ARG 18 -8.119 -2.671 4.255
144 HH11 ARG 18 HH11 ARG 18 -6.069 -4.363 1.980
145 HH12 ARG 18 HH12 ARG 18 -7.346 -5.372 1.384
146 HH21 ARG 18 HH21 ARG 18 -9.787 -4.030 3.510
147 HH22 ARG 18 HH22 ARG 18 -9.463 -5.196 2.267
148 H ARG 19 HN ARG 19 -4.883 0.674 1.216
149 HA ARG 19 HA ARG 19 -6.026 3.119 2.397
150 HB2 ARG 19 HB2 ARG 19 -5.274 4.396 0.622
151 HB3 ARG 19 HB1 ARG 19 -3.961 3.240 0.780
152 HG2 ARG 19 HG2 ARG 19 -4.214 2.943 -1.411
153 HG3 ARG 19 HG1 ARG 19 -5.631 1.980 -0.985
154 HD2 ARG 19 HD2 ARG 19 -6.353 3.528 -2.621
155 HD3 ARG 19 HD1 ARG 19 -6.959 4.127 -1.075
156 HE ARG 19 HE ARG 19 -4.424 5.262 -1.746
157 HH11 ARG 19 HH11 ARG 19 -7.874 5.528 -2.295
158 HH12 ARG 19 HH12 ARG 19 -7.783 7.172 -2.843
159 HH21 ARG 19 HH21 ARG 19 -4.307 7.417 -2.450
160 HH22 ARG 19 HH22 ARG 19 -5.754 8.254 -2.924
161 H CYS 20 HN CYS 20 -7.851 4.020 1.155
162 HA CYS 20 HA CYS 20 -9.440 1.919 -0.157
163 HB2 CYS 20 HB2 CYS 20 -10.564 3.985 1.733
164 HB3 CYS 20 HB1 CYS 20 -11.403 2.601 1.045
165 H ASN 21 HN ASN 21 -11.334 2.931 -1.407
166 HA ASN 21 HA ASN 21 -10.168 5.012 -3.042
167 HB2 ASN 21 HB2 ASN 21 -12.086 4.623 -4.557
168 HB3 ASN 21 HB1 ASN 21 -11.197 3.150 -4.196
169 HD21 ASN 21 HD21 ASN 21 -13.930 3.540 -5.142
170 HD22 ASN 21 HD22 ASN 21 -14.949 2.736 -3.996
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 -17.114 0.093 0.938
2 H2 ALA 1 HT2 ALA 1 -17.255 1.512 1.843
3 H3 ALA 1 HT3 ALA 1 -16.243 0.268 2.374
4 HA ALA 1 HA ALA 1 -15.866 1.849 -0.097
5 HB1 ALA 1 HB1 ALA 1 -15.458 3.172 1.914
6 HB2 ALA 1 HB2 ALA 1 -13.955 2.838 1.056
7 HB3 ALA 1 HB3 ALA 1 -14.357 1.929 2.511
8 H PHE 2 HN PHE 2 -14.473 0.988 -1.518
9 HA PHE 2 HA PHE 2 -13.492 -1.658 -1.078
10 HB2 PHE 2 HB2 PHE 2 -14.225 -0.883 -3.306
11 HB3 PHE 2 HB1 PHE 2 -12.896 0.271 -3.337
12 HD1 PHE 2 HD1 PHE 2 -10.668 -0.424 -3.805
13 HD2 PHE 2 HD2 PHE 2 -13.807 -3.265 -3.500
14 HE1 PHE 2 HE1 PHE 2 -9.214 -2.127 -4.812
15 HE2 PHE 2 HE2 PHE 2 -12.372 -4.976 -4.510
16 HZ PHE 2 HZ PHE 2 -10.050 -4.401 -5.177
17 H CYS 3 HN CYS 3 -11.549 -2.284 -0.357
18 HA CYS 3 HA CYS 3 -9.474 -0.219 -0.038
19 HB2 CYS 3 HB2 CYS 3 -10.073 -2.469 1.892
20 HB3 CYS 3 HB1 CYS 3 -8.852 -1.216 2.099
21 H TRP 4 HN TRP 4 -7.397 -0.805 -0.526
22 HA TRP 4 HA TRP 4 -6.842 -3.615 -1.090
23 HB2 TRP 4 HB2 TRP 4 -5.919 -3.193 -3.272
24 HB3 TRP 4 HB1 TRP 4 -7.567 -2.584 -3.240
25 HD1 TRP 4 HD1 TRP 4 -3.953 -1.449 -3.634
26 HE1 TRP 4 HE1 TRP 4 -3.932 0.990 -4.442
27 HE3 TRP 4 HE3 TRP 4 -8.914 -0.343 -3.054
28 HZ2 TRP 4 HZ2 TRP 4 -5.745 3.097 -4.777
29 HZ3 TRP 4 HZ3 TRP 4 -9.689 1.918 -3.642
30 HH2 TRP 4 HH2 TRP 4 -8.135 3.603 -4.486
31 H ASN 5 HN ASN 5 -4.414 -3.791 -1.742
32 HA ASN 5 HA ASN 5 -2.962 -2.301 0.311
33 HB2 ASN 5 HB2 ASN 5 -1.237 -4.046 0.115
34 HB3 ASN 5 HB1 ASN 5 -2.813 -4.726 0.494
35 HD21 ASN 5 HD21 ASN 5 -3.897 -5.944 -1.080
36 HD22 ASN 5 HD22 ASN 5 -3.068 -6.592 -2.451
37 H VAL 6 HN VAL 6 -1.622 -0.745 -0.205
38 HA VAL 6 HA VAL 6 -0.616 -0.610 -2.969
39 HB VAL 6 HB VAL 6 -0.792 1.621 -0.941
40 HG11 VAL 6 HG11 VAL 6 -0.031 1.642 -3.857
41 HG12 VAL 6 HG12 VAL 6 1.059 1.895 -2.496
42 HG13 VAL 6 HG13 VAL 6 -0.212 3.070 -2.839
43 HG21 VAL 6 HG21 VAL 6 -2.569 2.529 -2.360
44 HG22 VAL 6 HG22 VAL 6 -3.004 0.956 -1.693
45 HG23 VAL 6 HG23 VAL 6 -2.486 1.087 -3.374
46 H CYS 7 HN CYS 7 1.268 -1.631 -2.983
47 HA CYS 7 HA CYS 7 3.116 -1.369 -0.740
48 HB2 CYS 7 HB2 CYS 7 3.023 -3.172 -3.145
49 HB3 CYS 7 HB1 CYS 7 4.451 -3.064 -2.132
50 H VAL 8 HN VAL 8 4.500 0.272 -0.792
51 HA VAL 8 HA VAL 8 5.413 1.250 -3.416
52 HB VAL 8 HB VAL 8 5.592 2.589 -0.719
53 HG11 VAL 8 HG11 VAL 8 7.429 3.247 -2.171
54 HG12 VAL 8 HG12 VAL 8 6.294 4.579 -1.958
55 HG13 VAL 8 HG13 VAL 8 6.284 3.647 -3.453
56 HG21 VAL 8 HG21 VAL 8 3.776 3.131 -3.062
57 HG22 VAL 8 HG22 VAL 8 3.905 4.146 -1.624
58 HG23 VAL 8 HG23 VAL 8 3.300 2.494 -1.488
59 H TYR 9 HN TYR 9 7.465 1.011 -4.003
60 HA TYR 9 HA TYR 9 9.354 -0.130 -2.096
61 HB2 TYR 9 HB2 TYR 9 9.080 -0.136 -5.035
62 HB3 TYR 9 HB1 TYR 9 10.721 -0.024 -4.427
63 HD1 TYR 9 HD1 TYR 9 7.773 -2.124 -4.751
64 HD2 TYR 9 HD2 TYR 9 11.697 -1.873 -3.131
65 HE1 TYR 9 HE1 TYR 9 7.768 -4.553 -4.387
66 HE2 TYR 9 HE2 TYR 9 11.704 -4.305 -2.763
67 HH TYR 9 HH TYR 9 9.262 -6.369 -4.076
68 H ARG 10 HN ARG 10 10.101 1.482 -0.882
69 HA ARG 10 HA ARG 10 11.154 3.854 -2.274
70 HB2 ARG 10 HB2 ARG 10 9.150 4.149 -0.730
71 HB3 ARG 10 HB1 ARG 10 10.232 3.754 0.596
72 HG2 ARG 10 HG2 ARG 10 11.538 5.692 0.228
73 HG3 ARG 10 HG1 ARG 10 10.747 6.003 -1.318
74 HD2 ARG 10 HD2 ARG 10 9.321 6.017 1.332
75 HD3 ARG 10 HD1 ARG 10 9.966 7.462 0.556
76 HE ARG 10 HE ARG 10 8.447 6.700 -1.382
77 HH11 ARG 10 HH11 ARG 10 7.694 6.368 2.030
78 HH12 ARG 10 HH12 ARG 10 5.978 6.416 1.783
79 HH21 ARG 10 HH21 ARG 10 6.191 6.784 -1.706
80 HH22 ARG 10 HH22 ARG 10 5.125 6.666 -0.343
81 H ASN 11 HN ASN 11 13.260 3.561 -2.463
82 HA ASN 11 HA ASN 11 15.426 3.075 -2.051
83 HB2 ASN 11 HB2 ASN 11 14.604 3.506 0.827
84 HB3 ASN 11 HB1 ASN 11 16.268 3.264 0.307
85 HD21 ASN 11 HD21 ASN 11 13.606 5.435 0.451
86 HD22 ASN 11 HD22 ASN 11 14.436 6.835 -0.127
87 H ALA 12 HN ALA 12 13.912 0.983 -2.626
88 HA ALA 12 HA ALA 12 13.846 -1.274 -2.666
89 HB1 ALA 12 HB1 ALA 12 16.347 -1.111 -0.990
90 HB2 ALA 12 HB2 ALA 12 16.286 -1.054 -2.752
91 HB3 ALA 12 HB3 ALA 12 15.782 -2.514 -1.899
92 H VAL 13 HN VAL 13 12.523 0.205 -0.493
93 HA VAL 13 HA VAL 13 12.173 -2.090 1.320
94 HB VAL 13 HB VAL 13 11.497 0.765 1.998
95 HG11 VAL 13 HG11 VAL 13 11.361 -0.078 4.290
96 HG12 VAL 13 HG12 VAL 13 11.725 -1.702 3.706
97 HG13 VAL 13 HG13 VAL 13 10.230 -0.905 3.219
98 HG21 VAL 13 HG21 VAL 13 13.907 0.617 1.725
99 HG22 VAL 13 HG22 VAL 13 13.956 -0.788 2.790
100 HG23 VAL 13 HG23 VAL 13 13.492 0.788 3.431
101 H ARG 14 HN ARG 14 10.287 -3.060 1.057
102 HA ARG 14 HA ARG 14 8.193 -1.825 -0.490
103 HB2 ARG 14 HB2 ARG 14 8.868 -4.218 -0.786
104 HB3 ARG 14 HB1 ARG 14 8.218 -4.541 0.818
105 HG2 ARG 14 HG2 ARG 14 6.033 -3.617 0.001
106 HG3 ARG 14 HG1 ARG 14 6.745 -3.619 -1.612
107 HD2 ARG 14 HD2 ARG 14 6.489 -6.043 0.153
108 HD3 ARG 14 HD1 ARG 14 5.355 -5.615 -1.124
109 HE ARG 14 HE ARG 14 8.103 -5.854 -1.979
110 HH11 ARG 14 HH11 ARG 14 5.047 -7.487 -1.510
111 HH12 ARG 14 HH12 ARG 14 5.402 -8.758 -2.636
112 HH21 ARG 14 HH21 ARG 14 8.584 -7.510 -3.473
113 HH22 ARG 14 HH22 ARG 14 7.429 -8.775 -3.754
114 H VAL 15 HN VAL 15 7.252 -0.257 0.757
115 HA VAL 15 HA VAL 15 6.057 -1.142 3.288
116 HB VAL 15 HB VAL 15 5.514 1.234 3.690
117 HG11 VAL 15 HG11 VAL 15 7.553 0.308 4.609
118 HG12 VAL 15 HG12 VAL 15 7.818 1.984 4.126
119 HG13 VAL 15 HG13 VAL 15 8.418 0.668 3.116
120 HG21 VAL 15 HG21 VAL 15 5.331 2.120 1.489
121 HG22 VAL 15 HG22 VAL 15 7.002 1.690 1.116
122 HG23 VAL 15 HG23 VAL 15 6.659 2.958 2.295
123 H CYS 16 HN CYS 16 4.095 -1.969 3.124
124 HA CYS 16 HA CYS 16 2.399 -1.036 0.927
125 HB2 CYS 16 HB2 CYS 16 2.988 -3.611 1.698
126 HB3 CYS 16 HB1 CYS 16 1.419 -3.324 2.447
127 H HIS 17 HN HIS 17 0.457 -0.185 1.250
128 HA HIS 17 HA HIS 17 -0.331 0.324 4.046
129 HB2 HIS 17 HB2 HIS 17 -1.103 2.252 1.900
130 HB3 HIS 17 HB1 HIS 17 -0.797 2.547 3.603
131 HD1 HIS 17 HD1 HIS 17 0.486 3.581 0.587
132 HD2 HIS 17 HD2 HIS 17 2.305 1.929 3.937
133 HE1 HIS 17 HE1 HIS 17 2.900 4.256 0.452
134 HE2 HIS 17 HE2 HIS 17 3.911 3.452 2.610
135 H ARG 18 HN ARG 18 -2.460 -0.023 4.520
136 HA ARG 18 HA ARG 18 -4.120 -1.174 2.424
137 HB2 ARG 18 HB2 ARG 18 -3.918 -2.219 4.708
138 HB3 ARG 18 HB1 ARG 18 -4.738 -0.812 5.362
139 HG2 ARG 18 HG2 ARG 18 -6.338 -2.536 5.124
140 HG3 ARG 18 HG1 ARG 18 -6.662 -1.329 3.878
141 HD2 ARG 18 HD2 ARG 18 -5.449 -2.726 2.249
142 HD3 ARG 18 HD1 ARG 18 -5.197 -3.939 3.503
143 HE ARG 18 HE ARG 18 -7.944 -3.388 3.288
144 HH11 ARG 18 HH11 ARG 18 -5.350 -5.005 1.588
145 HH12 ARG 18 HH12 ARG 18 -6.408 -6.051 0.702
146 HH21 ARG 18 HH21 ARG 18 -9.343 -4.768 2.131
147 HH22 ARG 18 HH22 ARG 18 -8.683 -5.921 1.019
148 H ARG 19 HN ARG 19 -4.985 0.409 1.172
149 HA ARG 19 HA ARG 19 -6.125 2.733 2.576
150 HB2 ARG 19 HB2 ARG 19 -5.442 4.149 0.886
151 HB3 ARG 19 HB1 ARG 19 -4.122 2.992 0.914
152 HG2 ARG 19 HG2 ARG 19 -4.454 2.987 -1.304
153 HG3 ARG 19 HG1 ARG 19 -5.724 1.825 -0.909
154 HD2 ARG 19 HD2 ARG 19 -6.673 3.456 -2.369
155 HD3 ARG 19 HD1 ARG 19 -7.315 3.754 -0.751
156 HE ARG 19 HE ARG 19 -5.006 5.321 -1.174
157 HH11 ARG 19 HH11 ARG 19 -8.362 5.115 -2.134
158 HH12 ARG 19 HH12 ARG 19 -8.499 6.806 -2.482
159 HH21 ARG 19 HH21 ARG 19 -5.189 7.554 -1.610
160 HH22 ARG 19 HH22 ARG 19 -6.703 8.195 -2.169
161 H CYS 20 HN CYS 20 -7.988 3.727 1.544
162 HA CYS 20 HA CYS 20 -9.634 1.843 0.000
163 HB2 CYS 20 HB2 CYS 20 -10.674 3.454 2.332
164 HB3 CYS 20 HB1 CYS 20 -11.524 2.198 1.439
165 H ASN 21 HN ASN 21 -11.122 2.857 -1.422
166 HA ASN 21 HA ASN 21 -10.618 5.717 -1.775
167 HB2 ASN 21 HB2 ASN 21 -11.694 5.467 -3.996
168 HB3 ASN 21 HB1 ASN 21 -10.286 4.435 -3.797
169 HD21 ASN 21 HD21 ASN 21 -12.692 4.322 -5.542
170 HD22 ASN 21 HD22 ASN 21 -13.337 2.733 -5.310
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 -16.459 2.868 2.721
2 H2 ALA 1 HT2 ALA 1 -15.519 1.703 3.505
3 H3 ALA 1 HT3 ALA 1 -16.634 1.232 2.327
4 HA ALA 1 HA ALA 1 -15.393 2.359 0.629
5 HB1 ALA 1 HB1 ALA 1 -14.487 4.141 2.054
6 HB2 ALA 1 HB2 ALA 1 -13.224 3.339 1.120
7 HB3 ALA 1 HB3 ALA 1 -13.426 2.966 2.832
8 H PHE 2 HN PHE 2 -13.891 1.197 -0.559
9 HA PHE 2 HA PHE 2 -13.252 -1.421 0.558
10 HB2 PHE 2 HB2 PHE 2 -14.323 -1.568 -1.554
11 HB3 PHE 2 HB1 PHE 2 -13.311 -0.305 -2.243
12 HD1 PHE 2 HD1 PHE 2 -11.295 -0.830 -3.319
13 HD2 PHE 2 HD2 PHE 2 -13.314 -3.774 -1.015
14 HE1 PHE 2 HE1 PHE 2 -9.784 -2.555 -4.198
15 HE2 PHE 2 HE2 PHE 2 -11.818 -5.502 -1.892
16 HZ PHE 2 HZ PHE 2 -10.008 -4.848 -3.528
17 H CYS 3 HN CYS 3 -11.323 -1.754 1.405
18 HA CYS 3 HA CYS 3 -9.097 -0.039 0.594
19 HB2 CYS 3 HB2 CYS 3 -9.721 -1.575 3.063
20 HB3 CYS 3 HB1 CYS 3 -8.030 -1.362 2.638
21 H TRP 4 HN TRP 4 -7.373 -0.757 -0.389
22 HA TRP 4 HA TRP 4 -6.982 -3.654 -0.717
23 HB2 TRP 4 HB2 TRP 4 -6.225 -3.266 -3.016
24 HB3 TRP 4 HB1 TRP 4 -7.870 -2.679 -2.815
25 HD1 TRP 4 HD1 TRP 4 -4.262 -1.331 -3.082
26 HE1 TRP 4 HE1 TRP 4 -4.364 1.068 -4.006
27 HE3 TRP 4 HE3 TRP 4 -9.337 -0.681 -3.190
28 HZ2 TRP 4 HZ2 TRP 4 -6.267 2.947 -4.688
29 HZ3 TRP 4 HZ3 TRP 4 -10.221 1.469 -4.008
30 HH2 TRP 4 HH2 TRP 4 -8.718 3.250 -4.746
31 H ASN 5 HN ASN 5 -4.559 -3.827 -1.760
32 HA ASN 5 HA ASN 5 -2.893 -2.312 0.121
33 HB2 ASN 5 HB2 ASN 5 -1.220 -4.088 -0.145
34 HB3 ASN 5 HB1 ASN 5 -2.766 -4.732 0.394
35 HD21 ASN 5 HD21 ASN 5 -0.435 -4.629 -2.154
36 HD22 ASN 5 HD22 ASN 5 -1.139 -5.876 -3.124
37 H VAL 6 HN VAL 6 -1.472 -0.881 -0.568
38 HA VAL 6 HA VAL 6 -0.641 -0.961 -3.397
39 HB VAL 6 HB VAL 6 -0.630 1.477 -1.601
40 HG11 VAL 6 HG11 VAL 6 -0.151 1.193 -4.564
41 HG12 VAL 6 HG12 VAL 6 1.091 1.460 -3.344
42 HG13 VAL 6 HG13 VAL 6 -0.128 2.699 -3.645
43 HG21 VAL 6 HG21 VAL 6 -2.538 0.769 -3.833
44 HG22 VAL 6 HG22 VAL 6 -2.500 2.301 -2.964
45 HG23 VAL 6 HG23 VAL 6 -2.928 0.816 -2.116
46 H CYS 7 HN CYS 7 1.242 -2.010 -3.401
47 HA CYS 7 HA CYS 7 3.126 -1.675 -1.208
48 HB2 CYS 7 HB2 CYS 7 2.978 -3.553 -3.543
49 HB3 CYS 7 HB1 CYS 7 4.437 -3.418 -2.576
50 H VAL 8 HN VAL 8 4.472 -0.032 -1.286
51 HA VAL 8 HA VAL 8 5.521 0.825 -3.910
52 HB VAL 8 HB VAL 8 5.280 2.387 -1.339
53 HG11 VAL 8 HG11 VAL 8 6.394 3.220 -4.008
54 HG12 VAL 8 HG12 VAL 8 7.263 3.114 -2.473
55 HG13 VAL 8 HG13 VAL 8 6.007 4.333 -2.696
56 HG21 VAL 8 HG21 VAL 8 3.819 2.671 -3.957
57 HG22 VAL 8 HG22 VAL 8 3.663 3.755 -2.576
58 HG23 VAL 8 HG23 VAL 8 3.140 2.076 -2.442
59 H TYR 9 HN TYR 9 7.663 0.772 -4.252
60 HA TYR 9 HA TYR 9 9.396 -0.238 -2.167
61 HB2 TYR 9 HB2 TYR 9 9.574 0.106 -5.102
62 HB3 TYR 9 HB1 TYR 9 11.078 0.258 -4.210
63 HD1 TYR 9 HD1 TYR 9 8.401 -2.018 -5.222
64 HD2 TYR 9 HD2 TYR 9 12.023 -1.639 -3.027
65 HE1 TYR 9 HE1 TYR 9 8.589 -4.466 -5.123
66 HE2 TYR 9 HE2 TYR 9 12.225 -4.084 -2.920
67 HH TYR 9 HH TYR 9 10.815 -6.061 -3.074
68 H ARG 10 HN ARG 10 9.783 1.248 -0.682
69 HA ARG 10 HA ARG 10 10.738 3.884 -1.588
70 HB2 ARG 10 HB2 ARG 10 8.520 3.816 -0.375
71 HB3 ARG 10 HB1 ARG 10 9.394 3.261 1.043
72 HG2 ARG 10 HG2 ARG 10 10.691 5.329 1.057
73 HG3 ARG 10 HG1 ARG 10 9.821 5.877 -0.379
74 HD2 ARG 10 HD2 ARG 10 7.707 5.719 0.899
75 HD3 ARG 10 HD1 ARG 10 8.640 5.301 2.334
76 HE ARG 10 HE ARG 10 9.711 7.661 1.429
77 HH11 ARG 10 HH11 ARG 10 6.554 6.569 2.475
78 HH12 ARG 10 HH12 ARG 10 6.071 8.130 3.056
79 HH21 ARG 10 HH21 ARG 10 9.076 9.715 2.188
80 HH22 ARG 10 HH22 ARG 10 7.503 9.917 2.894
81 H ASN 11 HN ASN 11 12.852 4.027 -1.336
82 HA ASN 11 HA ASN 11 14.978 3.720 -0.617
83 HB2 ASN 11 HB2 ASN 11 13.610 3.239 2.039
84 HB3 ASN 11 HB1 ASN 11 15.357 3.301 1.843
85 HD21 ASN 11 HD21 ASN 11 12.433 5.112 2.002
86 HD22 ASN 11 HD22 ASN 11 13.155 6.684 1.980
87 H ALA 12 HN ALA 12 13.663 1.637 -1.881
88 HA ALA 12 HA ALA 12 13.919 -0.529 -2.475
89 HB1 ALA 12 HB1 ALA 12 15.870 -1.771 -1.759
90 HB2 ALA 12 HB2 ALA 12 16.186 -0.584 -0.492
91 HB3 ALA 12 HB3 ALA 12 16.312 -0.117 -2.188
92 H VAL 13 HN VAL 13 12.648 0.412 0.286
93 HA VAL 13 HA VAL 13 12.144 -2.310 1.267
94 HB VAL 13 HB VAL 13 11.334 0.275 2.583
95 HG11 VAL 13 HG11 VAL 13 11.054 -1.124 4.581
96 HG12 VAL 13 HG12 VAL 13 11.465 -2.547 3.625
97 HG13 VAL 13 HG13 VAL 13 10.004 -1.630 3.259
98 HG21 VAL 13 HG21 VAL 13 13.754 -1.434 3.144
99 HG22 VAL 13 HG22 VAL 13 13.221 -0.066 4.122
100 HG23 VAL 13 HG23 VAL 13 13.760 0.191 2.462
101 H ARG 14 HN ARG 14 10.316 -3.239 0.694
102 HA ARG 14 HA ARG 14 8.361 -1.776 -0.808
103 HB2 ARG 14 HB2 ARG 14 9.092 -4.101 -1.383
104 HB3 ARG 14 HB1 ARG 14 8.275 -4.664 0.071
105 HG2 ARG 14 HG2 ARG 14 6.158 -3.813 -0.791
106 HG3 ARG 14 HG1 ARG 14 6.993 -3.246 -2.234
107 HD2 ARG 14 HD2 ARG 14 5.888 -5.338 -2.699
108 HD3 ARG 14 HD1 ARG 14 7.634 -5.562 -2.755
109 HE ARG 14 HE ARG 14 7.242 -6.364 -0.314
110 HH11 ARG 14 HH11 ARG 14 5.096 -6.891 -3.033
111 HH12 ARG 14 HH12 ARG 14 4.498 -8.401 -2.432
112 HH21 ARG 14 HH21 ARG 14 6.453 -8.358 0.481
113 HH22 ARG 14 HH22 ARG 14 5.261 -9.230 -0.430
114 H VAL 15 HN VAL 15 7.174 -0.453 0.409
115 HA VAL 15 HA VAL 15 5.911 -1.523 2.829
116 HB VAL 15 HB VAL 15 5.248 0.861 3.256
117 HG11 VAL 15 HG11 VAL 15 7.504 1.567 3.975
118 HG12 VAL 15 HG12 VAL 15 8.194 0.257 3.017
119 HG13 VAL 15 HG13 VAL 15 7.152 -0.110 4.391
120 HG21 VAL 15 HG21 VAL 15 7.144 1.439 0.982
121 HG22 VAL 15 HG22 VAL 15 6.425 2.635 2.060
122 HG23 VAL 15 HG23 VAL 15 5.399 1.703 0.971
123 H CYS 16 HN CYS 16 3.932 -2.332 2.592
124 HA CYS 16 HA CYS 16 2.290 -1.318 0.398
125 HB2 CYS 16 HB2 CYS 16 2.657 -3.899 1.402
126 HB3 CYS 16 HB1 CYS 16 1.048 -3.417 1.938
127 H HIS 17 HN HIS 17 0.516 -0.185 0.684
128 HA HIS 17 HA HIS 17 -0.101 0.647 3.441
129 HB2 HIS 17 HB2 HIS 17 -0.914 2.123 0.941
130 HB3 HIS 17 HB1 HIS 17 -0.831 2.735 2.585
131 HD1 HIS 17 HD1 HIS 17 0.716 3.465 -0.319
132 HD2 HIS 17 HD2 HIS 17 2.267 2.167 3.312
133 HE1 HIS 17 HE1 HIS 17 3.119 4.186 -0.314
134 HE2 HIS 17 HE2 HIS 17 3.955 3.614 1.994
135 H ARG 18 HN ARG 18 -2.260 0.715 4.110
136 HA ARG 18 HA ARG 18 -4.104 -0.889 2.539
137 HB2 ARG 18 HB2 ARG 18 -3.792 -1.145 5.046
138 HB3 ARG 18 HB1 ARG 18 -4.587 0.411 5.221
139 HG2 ARG 18 HG2 ARG 18 -6.193 -1.302 5.596
140 HG3 ARG 18 HG1 ARG 18 -6.557 -0.531 4.050
141 HD2 ARG 18 HD2 ARG 18 -5.543 -2.353 2.845
142 HD3 ARG 18 HD1 ARG 18 -4.998 -3.094 4.348
143 HE ARG 18 HE ARG 18 -7.720 -2.891 4.598
144 HH11 ARG 18 HH11 ARG 18 -5.530 -4.397 2.326
145 HH12 ARG 18 HH12 ARG 18 -6.613 -5.698 1.948
146 HH21 ARG 18 HH21 ARG 18 -9.151 -4.599 4.101
147 HH22 ARG 18 HH22 ARG 18 -8.678 -5.808 2.951
148 H ARG 19 HN ARG 19 -4.922 0.252 0.905
149 HA ARG 19 HA ARG 19 -5.598 3.070 1.361
150 HB2 ARG 19 HB2 ARG 19 -3.932 3.047 -0.231
151 HB3 ARG 19 HB1 ARG 19 -4.472 1.534 -0.930
152 HG2 ARG 19 HG2 ARG 19 -4.772 3.377 -2.452
153 HG3 ARG 19 HG1 ARG 19 -6.316 2.664 -2.015
154 HD2 ARG 19 HD2 ARG 19 -6.306 5.137 -2.118
155 HD3 ARG 19 HD1 ARG 19 -6.818 4.479 -0.569
156 HE ARG 19 HE ARG 19 -4.019 5.255 -0.801
157 HH11 ARG 19 HH11 ARG 19 -7.250 6.087 0.248
158 HH12 ARG 19 HH12 ARG 19 -6.719 7.290 1.374
159 HH21 ARG 19 HH21 ARG 19 -3.308 6.858 0.678
160 HH22 ARG 19 HH22 ARG 19 -4.474 7.725 1.629
161 H CYS 20 HN CYS 20 -7.612 3.684 1.240
162 HA CYS 20 HA CYS 20 -9.622 1.873 0.080
163 HB2 CYS 20 HB2 CYS 20 -9.593 3.630 2.461
164 HB3 CYS 20 HB1 CYS 20 -11.082 3.653 1.527
165 H ASN 21 HN ASN 21 -11.452 2.895 -1.013
166 HA ASN 21 HA ASN 21 -10.627 5.278 -2.475
167 HB2 ASN 21 HB2 ASN 21 -12.553 4.794 -3.963
168 HB3 ASN 21 HB1 ASN 21 -11.409 3.464 -3.869
169 HD21 ASN 21 HD21 ASN 21 -14.295 3.636 -4.558
170 HD22 ASN 21 HD22 ASN 21 -15.067 2.464 -3.551
Start of MODEL 11
1 H1 ALA 1 HT1 ALA 1 -16.538 0.320 -0.135
2 H2 ALA 1 HT2 ALA 1 -17.024 0.819 1.405
3 H3 ALA 1 HT3 ALA 1 -15.930 -0.459 1.240
4 HA ALA 1 HA ALA 1 -15.449 2.360 0.519
5 HB1 ALA 1 HB1 ALA 1 -14.253 0.679 2.708
6 HB2 ALA 1 HB2 ALA 1 -15.443 1.961 2.930
7 HB3 ALA 1 HB3 ALA 1 -13.827 2.347 2.335
8 H PHE 2 HN PHE 2 -14.742 -0.859 -0.090
9 HA PHE 2 HA PHE 2 -13.075 -1.992 -1.151
10 HB2 PHE 2 HB2 PHE 2 -14.211 -0.820 -2.993
11 HB3 PHE 2 HB1 PHE 2 -13.074 0.515 -2.836
12 HD1 PHE 2 HD1 PHE 2 -11.162 0.525 -4.115
13 HD2 PHE 2 HD2 PHE 2 -13.174 -3.151 -3.412
14 HE1 PHE 2 HE1 PHE 2 -9.629 -0.606 -5.663
15 HE2 PHE 2 HE2 PHE 2 -11.653 -4.288 -4.961
16 HZ PHE 2 HZ PHE 2 -9.858 -3.005 -6.091
17 H CYS 3 HN CYS 3 -11.477 -2.124 0.371
18 HA CYS 3 HA CYS 3 -9.350 -0.099 0.227
19 HB2 CYS 3 HB2 CYS 3 -9.775 -2.160 2.393
20 HB3 CYS 3 HB1 CYS 3 -8.677 -0.787 2.434
21 H TRP 4 HN TRP 4 -7.294 -0.672 -0.320
22 HA TRP 4 HA TRP 4 -6.732 -3.507 -0.778
23 HB2 TRP 4 HB2 TRP 4 -5.932 -3.130 -3.026
24 HB3 TRP 4 HB1 TRP 4 -7.593 -2.568 -2.910
25 HD1 TRP 4 HD1 TRP 4 -4.074 -1.377 -3.655
26 HE1 TRP 4 HE1 TRP 4 -4.167 1.060 -4.473
27 HE3 TRP 4 HE3 TRP 4 -8.957 -0.322 -2.553
28 HZ2 TRP 4 HZ2 TRP 4 -6.029 3.147 -4.608
29 HZ3 TRP 4 HZ3 TRP 4 -9.812 1.928 -3.058
30 HH2 TRP 4 HH2 TRP 4 -8.382 3.625 -4.066
31 H ASN 5 HN ASN 5 -4.394 -3.802 -1.444
32 HA ASN 5 HA ASN 5 -2.775 -2.222 0.408
33 HB2 ASN 5 HB2 ASN 5 -2.269 -4.886 -0.925
34 HB3 ASN 5 HB1 ASN 5 -1.100 -4.068 0.106
35 HD21 ASN 5 HD21 ASN 5 -2.341 -6.655 0.455
36 HD22 ASN 5 HD22 ASN 5 -3.170 -6.600 1.972
37 H VAL 6 HN VAL 6 -1.861 -0.510 -0.489
38 HA VAL 6 HA VAL 6 -0.769 -0.659 -3.198
39 HB VAL 6 HB VAL 6 -0.683 1.691 -1.304
40 HG11 VAL 6 HG11 VAL 6 -0.395 1.531 -4.299
41 HG12 VAL 6 HG12 VAL 6 0.920 1.760 -3.148
42 HG13 VAL 6 HG13 VAL 6 -0.322 3.002 -3.329
43 HG21 VAL 6 HG21 VAL 6 -2.755 1.027 -3.386
44 HG22 VAL 6 HG22 VAL 6 -2.622 2.573 -2.552
45 HG23 VAL 6 HG23 VAL 6 -3.001 1.111 -1.643
46 H CYS 7 HN CYS 7 1.162 -1.623 -3.303
47 HA CYS 7 HA CYS 7 3.013 -1.332 -1.046
48 HB2 CYS 7 HB2 CYS 7 3.038 -3.319 -3.327
49 HB3 CYS 7 HB1 CYS 7 4.168 -3.299 -1.977
50 H VAL 8 HN VAL 8 4.483 0.201 -1.232
51 HA VAL 8 HA VAL 8 5.477 0.882 -3.930
52 HB VAL 8 HB VAL 8 5.513 2.569 -1.422
53 HG11 VAL 8 HG11 VAL 8 7.391 3.138 -2.807
54 HG12 VAL 8 HG12 VAL 8 6.175 4.407 -2.957
55 HG13 VAL 8 HG13 VAL 8 6.362 3.212 -4.240
56 HG21 VAL 8 HG21 VAL 8 3.836 3.959 -2.549
57 HG22 VAL 8 HG22 VAL 8 3.253 2.317 -2.268
58 HG23 VAL 8 HG23 VAL 8 3.786 2.802 -3.878
59 H TYR 9 HN TYR 9 7.625 0.710 -4.334
60 HA TYR 9 HA TYR 9 9.315 -0.284 -2.177
61 HB2 TYR 9 HB2 TYR 9 9.326 -0.502 -5.107
62 HB3 TYR 9 HB1 TYR 9 10.911 -0.224 -4.398
63 HD1 TYR 9 HD1 TYR 9 8.222 -2.598 -4.880
64 HD2 TYR 9 HD2 TYR 9 11.822 -1.837 -2.747
65 HE1 TYR 9 HE1 TYR 9 8.374 -4.980 -4.298
66 HE2 TYR 9 HE2 TYR 9 11.993 -4.217 -2.164
67 HH TYR 9 HH TYR 9 10.202 -6.610 -3.674
68 H ARG 10 HN ARG 10 9.857 1.421 -0.962
69 HA ARG 10 HA ARG 10 11.224 3.628 -2.329
70 HB2 ARG 10 HB2 ARG 10 10.433 5.122 -0.601
71 HB3 ARG 10 HB1 ARG 10 9.067 4.303 -1.329
72 HG2 ARG 10 HG2 ARG 10 9.084 2.719 0.580
73 HG3 ARG 10 HG1 ARG 10 10.332 3.710 1.331
74 HD2 ARG 10 HD2 ARG 10 7.559 4.627 0.575
75 HD3 ARG 10 HD1 ARG 10 8.117 4.261 2.205
76 HE ARG 10 HE ARG 10 9.812 6.200 1.107
77 HH11 ARG 10 HH11 ARG 10 6.501 5.871 2.178
78 HH12 ARG 10 HH12 ARG 10 6.338 7.540 2.612
79 HH21 ARG 10 HH21 ARG 10 9.608 8.401 1.691
80 HH22 ARG 10 HH22 ARG 10 8.101 8.982 2.330
81 H ASN 11 HN ASN 11 13.251 3.959 -1.764
82 HA ASN 11 HA ASN 11 15.321 3.557 -0.912
83 HB2 ASN 11 HB2 ASN 11 13.840 3.159 1.702
84 HB3 ASN 11 HB1 ASN 11 15.568 3.448 1.526
85 HD21 ASN 11 HD21 ASN 11 12.436 4.840 1.607
86 HD22 ASN 11 HD22 ASN 11 12.928 6.492 1.485
87 H ALA 12 HN ALA 12 13.918 1.419 -2.092
88 HA ALA 12 HA ALA 12 14.021 -0.804 -2.466
89 HB1 ALA 12 HB1 ALA 12 15.915 -2.082 -1.647
90 HB2 ALA 12 HB2 ALA 12 16.322 -0.785 -0.524
91 HB3 ALA 12 HB3 ALA 12 16.433 -0.511 -2.263
92 H VAL 13 HN VAL 13 12.630 0.407 -0.005
93 HA VAL 13 HA VAL 13 12.172 -2.125 1.421
94 HB VAL 13 HB VAL 13 11.332 0.648 2.267
95 HG11 VAL 13 HG11 VAL 13 10.930 -0.379 4.445
96 HG12 VAL 13 HG12 VAL 13 11.378 -1.951 3.785
97 HG13 VAL 13 HG13 VAL 13 9.942 -1.120 3.187
98 HG21 VAL 13 HG21 VAL 13 13.679 -0.986 3.221
99 HG22 VAL 13 HG22 VAL 13 13.150 0.552 3.902
100 HG23 VAL 13 HG23 VAL 13 13.765 0.485 2.250
101 H ARG 14 HN ARG 14 10.307 -3.138 1.113
102 HA ARG 14 HA ARG 14 8.340 -2.007 -0.666
103 HB2 ARG 14 HB2 ARG 14 9.137 -4.438 -0.662
104 HB3 ARG 14 HB1 ARG 14 8.150 -4.640 0.783
105 HG2 ARG 14 HG2 ARG 14 6.226 -3.731 -0.584
106 HG3 ARG 14 HG1 ARG 14 7.272 -3.947 -1.987
107 HD2 ARG 14 HD2 ARG 14 6.374 -6.088 -0.069
108 HD3 ARG 14 HD1 ARG 14 5.829 -5.870 -1.730
109 HE ARG 14 HE ARG 14 8.582 -6.172 -1.841
110 HH11 ARG 14 HH11 ARG 14 5.806 -8.051 -0.835
111 HH12 ARG 14 HH12 ARG 14 6.565 -9.581 -1.152
112 HH21 ARG 14 HH21 ARG 14 9.584 -8.186 -2.263
113 HH22 ARG 14 HH22 ARG 14 8.715 -9.656 -1.954
114 H VAL 15 HN VAL 15 6.873 -0.653 0.158
115 HA VAL 15 HA VAL 15 5.860 -1.247 2.851
116 HB VAL 15 HB VAL 15 7.111 0.886 2.662
117 HG11 VAL 15 HG11 VAL 15 6.153 2.808 1.561
118 HG12 VAL 15 HG12 VAL 15 4.827 1.818 0.951
119 HG13 VAL 15 HG13 VAL 15 6.475 1.523 0.394
120 HG21 VAL 15 HG21 VAL 15 5.482 2.233 3.878
121 HG22 VAL 15 HG22 VAL 15 5.460 0.550 4.403
122 HG23 VAL 15 HG23 VAL 15 4.194 1.157 3.337
123 H CYS 16 HN CYS 16 3.959 -2.177 2.777
124 HA CYS 16 HA CYS 16 2.127 -1.501 0.601
125 HB2 CYS 16 HB2 CYS 16 2.027 -3.766 2.600
126 HB3 CYS 16 HB1 CYS 16 0.868 -3.499 1.300
127 H HIS 17 HN HIS 17 0.660 -0.041 0.940
128 HA HIS 17 HA HIS 17 -0.156 0.564 3.696
129 HB2 HIS 17 HB2 HIS 17 -0.950 2.154 1.272
130 HB3 HIS 17 HB1 HIS 17 -0.901 2.676 2.945
131 HD1 HIS 17 HD1 HIS 17 0.688 3.521 0.054
132 HD2 HIS 17 HD2 HIS 17 2.159 2.269 3.732
133 HE1 HIS 17 HE1 HIS 17 3.059 4.340 0.148
134 HE2 HIS 17 HE2 HIS 17 3.821 3.806 2.488
135 H ARG 18 HN ARG 18 -2.253 0.348 4.345
136 HA ARG 18 HA ARG 18 -4.084 -0.951 2.479
137 HB2 ARG 18 HB2 ARG 18 -3.699 -1.871 4.809
138 HB3 ARG 18 HB1 ARG 18 -4.482 -0.426 5.432
139 HG2 ARG 18 HG2 ARG 18 -6.083 -2.187 5.384
140 HG3 ARG 18 HG1 ARG 18 -6.500 -1.026 4.122
141 HD2 ARG 18 HD2 ARG 18 -5.497 -2.441 2.438
142 HD3 ARG 18 HD1 ARG 18 -4.957 -3.576 3.674
143 HE ARG 18 HE ARG 18 -7.763 -3.254 3.808
144 HH11 ARG 18 HH11 ARG 18 -5.255 -4.730 1.871
145 HH12 ARG 18 HH12 ARG 18 -6.285 -5.983 1.252
146 HH21 ARG 18 HH21 ARG 18 -9.136 -4.910 2.994
147 HH22 ARG 18 HH22 ARG 18 -8.486 -6.092 1.901
148 H ARG 19 HN ARG 19 -4.937 0.615 1.214
149 HA ARG 19 HA ARG 19 -6.047 2.972 2.584
150 HB2 ARG 19 HB2 ARG 19 -5.274 4.364 0.953
151 HB3 ARG 19 HB1 ARG 19 -4.059 3.106 0.798
152 HG2 ARG 19 HG2 ARG 19 -4.572 3.140 -1.370
153 HG3 ARG 19 HG1 ARG 19 -6.013 2.232 -0.909
154 HD2 ARG 19 HD2 ARG 19 -6.674 4.099 -2.276
155 HD3 ARG 19 HD1 ARG 19 -7.216 4.382 -0.619
156 HE ARG 19 HE ARG 19 -4.661 5.553 -1.386
157 HH11 ARG 19 HH11 ARG 19 -8.096 6.017 -0.863
158 HH12 ARG 19 HH12 ARG 19 -7.971 7.745 -0.759
159 HH21 ARG 19 HH21 ARG 19 -4.501 7.830 -1.249
160 HH22 ARG 19 HH22 ARG 19 -5.928 8.772 -0.963
161 H CYS 20 HN CYS 20 -7.973 3.863 1.634
162 HA CYS 20 HA CYS 20 -9.598 1.821 0.271
163 HB2 CYS 20 HB2 CYS 20 -10.573 3.753 2.379
164 HB3 CYS 20 HB1 CYS 20 -11.494 2.453 1.632
165 H ASN 21 HN ASN 21 -11.487 2.748 -0.878
166 HA ASN 21 HA ASN 21 -10.638 5.002 -2.441
167 HB2 ASN 21 HB2 ASN 21 -11.798 3.217 -3.571
168 HB3 ASN 21 HB1 ASN 21 -13.176 3.363 -2.487
169 HD21 ASN 21 HD21 ASN 21 -11.477 4.771 -5.163
170 HD22 ASN 21 HD22 ASN 21 -12.735 5.851 -5.655
Start of MODEL 12
1 H1 ALA 1 HT1 ALA 1 -17.390 0.630 -0.737
2 H2 ALA 1 HT2 ALA 1 -17.007 0.810 -2.372
3 H3 ALA 1 HT3 ALA 1 -17.538 2.143 -1.476
4 HA ALA 1 HA ALA 1 -15.162 2.227 -1.841
5 HB1 ALA 1 HB1 ALA 1 -16.126 3.202 0.200
6 HB2 ALA 1 HB2 ALA 1 -14.491 2.594 0.457
7 HB3 ALA 1 HB3 ALA 1 -15.874 1.668 1.037
8 H PHE 2 HN PHE 2 -13.374 1.114 -2.221
9 HA PHE 2 HA PHE 2 -13.226 -1.650 -1.199
10 HB2 PHE 2 HB2 PHE 2 -13.532 -1.588 -3.618
11 HB3 PHE 2 HB1 PHE 2 -12.160 -0.500 -3.790
12 HD1 PHE 2 HD1 PHE 2 -10.112 -1.359 -4.293
13 HD2 PHE 2 HD2 PHE 2 -13.017 -3.881 -2.487
14 HE1 PHE 2 HE1 PHE 2 -8.603 -3.269 -4.555
15 HE2 PHE 2 HE2 PHE 2 -11.514 -5.806 -2.748
16 HZ PHE 2 HZ PHE 2 -9.297 -5.507 -3.785
17 H CYS 3 HN CYS 3 -11.551 -2.140 0.060
18 HA CYS 3 HA CYS 3 -9.326 -0.231 0.252
19 HB2 CYS 3 HB2 CYS 3 -10.142 -2.440 2.153
20 HB3 CYS 3 HB1 CYS 3 -8.842 -1.283 2.418
21 H TRP 4 HN TRP 4 -7.208 -0.885 0.001
22 HA TRP 4 HA TRP 4 -6.557 -3.664 -0.369
23 HB2 TRP 4 HB2 TRP 4 -5.756 -3.540 -2.626
24 HB3 TRP 4 HB1 TRP 4 -7.419 -2.975 -2.620
25 HD1 TRP 4 HD1 TRP 4 -3.841 -1.773 -3.236
26 HE1 TRP 4 HE1 TRP 4 -3.941 0.505 -4.424
27 HE3 TRP 4 HE3 TRP 4 -8.848 -0.836 -2.809
28 HZ2 TRP 4 HZ2 TRP 4 -5.864 2.445 -5.074
29 HZ3 TRP 4 HZ3 TRP 4 -9.733 1.255 -3.739
30 HH2 TRP 4 HH2 TRP 4 -8.274 2.865 -4.849
31 H ASN 5 HN ASN 5 -4.156 -3.834 -1.022
32 HA ASN 5 HA ASN 5 -2.734 -1.948 0.707
33 HB2 ASN 5 HB2 ASN 5 -2.060 -4.738 -0.225
34 HB3 ASN 5 HB1 ASN 5 -0.902 -3.708 0.612
35 HD21 ASN 5 HD21 ASN 5 -1.955 -6.246 1.446
36 HD22 ASN 5 HD22 ASN 5 -2.761 -5.982 2.951
37 H VAL 6 HN VAL 6 -1.851 -0.328 -0.321
38 HA VAL 6 HA VAL 6 -0.751 -0.651 -2.995
39 HB VAL 6 HB VAL 6 -0.741 1.782 -1.200
40 HG11 VAL 6 HG11 VAL 6 1.023 1.813 -2.891
41 HG12 VAL 6 HG12 VAL 6 -0.215 3.020 -3.240
42 HG13 VAL 6 HG13 VAL 6 -0.174 1.510 -4.150
43 HG21 VAL 6 HG21 VAL 6 -2.594 1.080 -3.471
44 HG22 VAL 6 HG22 VAL 6 -2.568 2.613 -2.599
45 HG23 VAL 6 HG23 VAL 6 -3.016 1.128 -1.760
46 H CYS 7 HN CYS 7 1.164 -1.616 -3.080
47 HA CYS 7 HA CYS 7 3.042 -1.269 -0.868
48 HB2 CYS 7 HB2 CYS 7 3.043 -3.276 -3.125
49 HB3 CYS 7 HB1 CYS 7 4.176 -3.252 -1.780
50 H VAL 8 HN VAL 8 4.479 0.256 -1.085
51 HA VAL 8 HA VAL 8 5.371 1.048 -3.777
52 HB VAL 8 HB VAL 8 5.479 2.546 -1.162
53 HG11 VAL 8 HG11 VAL 8 6.280 4.469 -2.447
54 HG12 VAL 8 HG12 VAL 8 6.373 3.455 -3.889
55 HG13 VAL 8 HG13 VAL 8 7.416 3.121 -2.504
56 HG21 VAL 8 HG21 VAL 8 3.829 3.017 -3.635
57 HG22 VAL 8 HG22 VAL 8 3.873 4.068 -2.221
58 HG23 VAL 8 HG23 VAL 8 3.238 2.428 -2.082
59 H TYR 9 HN TYR 9 7.459 0.847 -4.335
60 HA TYR 9 HA TYR 9 9.323 -0.258 -2.403
61 HB2 TYR 9 HB2 TYR 9 9.179 -0.095 -5.342
62 HB3 TYR 9 HB1 TYR 9 10.791 0.106 -4.671
63 HD1 TYR 9 HD1 TYR 9 7.932 -2.193 -4.967
64 HD2 TYR 9 HD2 TYR 9 11.955 -1.727 -3.674
65 HE1 TYR 9 HE1 TYR 9 8.131 -4.630 -4.722
66 HE2 TYR 9 HE2 TYR 9 12.171 -4.162 -3.427
67 HH TYR 9 HH TYR 9 10.698 -6.117 -3.083
68 H ARG 10 HN ARG 10 9.905 1.264 -1.032
69 HA ARG 10 HA ARG 10 11.072 3.740 -2.110
70 HB2 ARG 10 HB2 ARG 10 8.865 4.112 -1.060
71 HB3 ARG 10 HB1 ARG 10 9.449 3.368 0.418
72 HG2 ARG 10 HG2 ARG 10 9.425 5.740 0.650
73 HG3 ARG 10 HG1 ARG 10 11.097 5.180 0.647
74 HD2 ARG 10 HD2 ARG 10 11.323 5.849 -1.683
75 HD3 ARG 10 HD1 ARG 10 9.633 6.353 -1.716
76 HE ARG 10 HE ARG 10 11.319 7.632 0.278
77 HH11 ARG 10 HH11 ARG 10 9.842 7.818 -2.895
78 HH12 ARG 10 HH12 ARG 10 10.011 9.540 -3.011
79 HH21 ARG 10 HH21 ARG 10 11.541 9.905 0.121
80 HH22 ARG 10 HH22 ARG 10 10.991 10.727 -1.306
81 H ASN 11 HN ASN 11 13.162 3.913 -1.610
82 HA ASN 11 HA ASN 11 15.206 3.525 -0.693
83 HB2 ASN 11 HB2 ASN 11 13.625 2.795 1.787
84 HB3 ASN 11 HB1 ASN 11 15.369 3.018 1.731
85 HD21 ASN 11 HD21 ASN 11 13.293 4.410 3.250
86 HD22 ASN 11 HD22 ASN 11 13.465 6.086 2.862
87 H ALA 12 HN ALA 12 13.790 1.522 -2.149
88 HA ALA 12 HA ALA 12 13.928 -0.640 -2.797
89 HB1 ALA 12 HB1 ALA 12 15.819 -2.002 -2.109
90 HB2 ALA 12 HB2 ALA 12 16.197 -0.854 -0.824
91 HB3 ALA 12 HB3 ALA 12 16.343 -0.367 -2.511
92 H VAL 13 HN VAL 13 12.618 0.305 -0.109
93 HA VAL 13 HA VAL 13 12.090 -2.391 0.938
94 HB VAL 13 HB VAL 13 11.328 0.231 2.216
95 HG11 VAL 13 HG11 VAL 13 9.982 -1.668 2.919
96 HG12 VAL 13 HG12 VAL 13 11.025 -1.123 4.231
97 HG13 VAL 13 HG13 VAL 13 11.443 -2.571 3.316
98 HG21 VAL 13 HG21 VAL 13 13.748 0.118 2.081
99 HG22 VAL 13 HG22 VAL 13 13.729 -1.504 2.774
100 HG23 VAL 13 HG23 VAL 13 13.219 -0.123 3.747
101 H ARG 14 HN ARG 14 10.201 -3.293 0.522
102 HA ARG 14 HA ARG 14 8.178 -1.850 -0.928
103 HB2 ARG 14 HB2 ARG 14 8.826 -4.153 -1.542
104 HB3 ARG 14 HB1 ARG 14 8.268 -4.719 0.025
105 HG2 ARG 14 HG2 ARG 14 6.002 -3.956 -0.535
106 HG3 ARG 14 HG1 ARG 14 6.600 -3.465 -2.117
107 HD2 ARG 14 HD2 ARG 14 5.495 -5.650 -2.196
108 HD3 ARG 14 HD1 ARG 14 7.197 -5.753 -2.638
109 HE ARG 14 HE ARG 14 7.377 -6.380 -0.089
110 HH11 ARG 14 HH11 ARG 14 4.931 -7.391 -2.379
111 HH12 ARG 14 HH12 ARG 14 4.665 -8.923 -1.610
112 HH21 ARG 14 HH21 ARG 14 7.032 -8.392 0.922
113 HH22 ARG 14 HH22 ARG 14 5.858 -9.488 0.273
114 H VAL 15 HN VAL 15 7.065 -0.483 0.369
115 HA VAL 15 HA VAL 15 6.031 -1.523 2.915
116 HB VAL 15 HB VAL 15 5.427 0.834 3.424
117 HG11 VAL 15 HG11 VAL 15 7.521 -0.115 4.227
118 HG12 VAL 15 HG12 VAL 15 7.716 1.595 3.846
119 HG13 VAL 15 HG13 VAL 15 8.324 0.368 2.735
120 HG21 VAL 15 HG21 VAL 15 5.192 1.717 1.184
121 HG22 VAL 15 HG22 VAL 15 6.906 1.438 0.865
122 HG23 VAL 15 HG23 VAL 15 6.414 2.634 2.065
123 H CYS 16 HN CYS 16 3.987 -2.149 3.063
124 HA CYS 16 HA CYS 16 2.200 -1.451 0.844
125 HB2 CYS 16 HB2 CYS 16 2.042 -3.739 2.805
126 HB3 CYS 16 HB1 CYS 16 0.894 -3.430 1.508
127 H HIS 17 HN HIS 17 0.720 0.004 1.182
128 HA HIS 17 HA HIS 17 -0.114 0.592 3.946
129 HB2 HIS 17 HB2 HIS 17 -0.815 2.349 1.624
130 HB3 HIS 17 HB1 HIS 17 -0.570 2.784 3.307
131 HD1 HIS 17 HD1 HIS 17 0.915 3.273 0.178
132 HD2 HIS 17 HD2 HIS 17 2.422 2.339 3.931
133 HE1 HIS 17 HE1 HIS 17 3.335 3.934 0.117
134 HE2 HIS 17 HE2 HIS 17 4.142 3.604 2.480
135 H ARG 18 HN ARG 18 -2.275 0.483 4.508
136 HA ARG 18 HA ARG 18 -4.055 -0.744 2.560
137 HB2 ARG 18 HB2 ARG 18 -4.173 -1.736 4.737
138 HB3 ARG 18 HB1 ARG 18 -4.367 -0.168 5.510
139 HG2 ARG 18 HG2 ARG 18 -6.568 0.083 4.560
140 HG3 ARG 18 HG1 ARG 18 -6.371 -1.400 3.625
141 HD2 ARG 18 HD2 ARG 18 -6.364 -2.732 5.592
142 HD3 ARG 18 HD1 ARG 18 -6.265 -1.313 6.632
143 HE ARG 18 HE ARG 18 -8.578 -0.897 5.334
144 HH11 ARG 18 HH11 ARG 18 -7.326 -3.701 7.019
145 HH12 ARG 18 HH12 ARG 18 -8.893 -4.275 7.489
146 HH21 ARG 18 HH21 ARG 18 -10.641 -1.653 5.958
147 HH22 ARG 18 HH22 ARG 18 -10.781 -3.113 6.885
148 H ARG 19 HN ARG 19 -5.002 0.577 1.194
149 HA ARG 19 HA ARG 19 -6.024 3.134 2.235
150 HB2 ARG 19 HB2 ARG 19 -5.362 4.235 0.346
151 HB3 ARG 19 HB1 ARG 19 -4.139 2.974 0.350
152 HG2 ARG 19 HG2 ARG 19 -4.767 2.737 -1.790
153 HG3 ARG 19 HG1 ARG 19 -6.069 1.763 -1.099
154 HD2 ARG 19 HD2 ARG 19 -6.999 3.346 -2.666
155 HD3 ARG 19 HD1 ARG 19 -7.489 3.792 -1.028
156 HE ARG 19 HE ARG 19 -5.100 5.107 -2.005
157 HH11 ARG 19 HH11 ARG 19 -8.592 5.289 -1.657
158 HH12 ARG 19 HH12 ARG 19 -8.645 7.008 -1.866
159 HH21 ARG 19 HH21 ARG 19 -5.184 7.367 -2.281
160 HH22 ARG 19 HH22 ARG 19 -6.709 8.189 -2.223
161 H CYS 20 HN CYS 20 -8.026 3.864 1.220
162 HA CYS 20 HA CYS 20 -9.648 1.665 0.154
163 HB2 CYS 20 HB2 CYS 20 -10.498 3.536 2.368
164 HB3 CYS 20 HB1 CYS 20 -11.494 2.280 1.637
165 H ASN 21 HN ASN 21 -11.062 2.237 -1.395
166 HA ASN 21 HA ASN 21 -11.409 5.100 -1.962
167 HB2 ASN 21 HB2 ASN 21 -9.687 4.296 -3.481
168 HB3 ASN 21 HB1 ASN 21 -10.697 2.935 -3.951
169 HD21 ASN 21 HD21 ASN 21 -10.661 3.492 -6.100
170 HD22 ASN 21 HD22 ASN 21 -11.544 4.839 -6.721
Start of MODEL 13
1 H1 ALA 1 HT1 ALA 1 -15.400 1.087 2.085
2 H2 ALA 1 HT2 ALA 1 -16.748 0.076 2.104
3 H3 ALA 1 HT3 ALA 1 -16.953 1.753 2.060
4 HA ALA 1 HA ALA 1 -17.357 0.769 -0.094
5 HB1 ALA 1 HB1 ALA 1 -15.881 2.213 -1.398
6 HB2 ALA 1 HB2 ALA 1 -14.862 2.446 0.022
7 HB3 ALA 1 HB3 ALA 1 -16.519 3.046 0.017
8 H PHE 2 HN PHE 2 -13.944 0.984 -0.301
9 HA PHE 2 HA PHE 2 -13.469 -1.847 -0.429
10 HB2 PHE 2 HB2 PHE 2 -14.389 -1.462 -2.678
11 HB3 PHE 2 HB1 PHE 2 -13.217 -0.180 -2.948
12 HD1 PHE 2 HD1 PHE 2 -10.992 -0.659 -3.578
13 HD2 PHE 2 HD2 PHE 2 -13.667 -3.799 -2.566
14 HE1 PHE 2 HE1 PHE 2 -9.413 -2.292 -4.500
15 HE2 PHE 2 HE2 PHE 2 -12.096 -5.443 -3.484
16 HZ PHE 2 HZ PHE 2 -9.960 -4.694 -4.458
17 H CYS 3 HN CYS 3 -11.436 -2.234 0.215
18 HA CYS 3 HA CYS 3 -9.459 -0.072 -0.009
19 HB2 CYS 3 HB2 CYS 3 -9.837 -1.771 2.466
20 HB3 CYS 3 HB1 CYS 3 -8.726 -0.422 2.267
21 H TRP 4 HN TRP 4 -7.270 -0.779 -0.090
22 HA TRP 4 HA TRP 4 -6.772 -3.633 -0.269
23 HB2 TRP 4 HB2 TRP 4 -5.945 -3.605 -2.536
24 HB3 TRP 4 HB1 TRP 4 -7.592 -2.992 -2.537
25 HD1 TRP 4 HD1 TRP 4 -4.002 -1.950 -3.264
26 HE1 TRP 4 HE1 TRP 4 -4.022 0.321 -4.466
27 HE3 TRP 4 HE3 TRP 4 -8.948 -0.751 -2.689
28 HZ2 TRP 4 HZ2 TRP 4 -5.858 2.351 -5.073
29 HZ3 TRP 4 HZ3 TRP 4 -9.748 1.384 -3.610
30 HH2 TRP 4 HH2 TRP 4 -8.237 2.903 -4.777
31 H ASN 5 HN ASN 5 -4.384 -3.973 -0.914
32 HA ASN 5 HA ASN 5 -2.831 -2.105 0.709
33 HB2 ASN 5 HB2 ASN 5 -1.127 -3.902 0.805
34 HB3 ASN 5 HB1 ASN 5 -2.686 -4.413 1.439
35 HD21 ASN 5 HD21 ASN 5 -3.907 -5.919 0.280
36 HD22 ASN 5 HD22 ASN 5 -3.207 -6.903 -0.959
37 H VAL 6 HN VAL 6 -1.626 -0.663 -0.232
38 HA VAL 6 HA VAL 6 -0.691 -1.100 -2.985
39 HB VAL 6 HB VAL 6 -0.631 1.474 -1.409
40 HG11 VAL 6 HG11 VAL 6 -0.343 0.918 -4.357
41 HG12 VAL 6 HG12 VAL 6 0.954 1.367 -3.249
42 HG13 VAL 6 HG13 VAL 6 -0.339 2.514 -3.606
43 HG21 VAL 6 HG21 VAL 6 -2.939 0.825 -1.644
44 HG22 VAL 6 HG22 VAL 6 -2.709 0.507 -3.361
45 HG23 VAL 6 HG23 VAL 6 -2.593 2.155 -2.749
46 H CYS 7 HN CYS 7 1.275 -2.010 -3.018
47 HA CYS 7 HA CYS 7 3.177 -1.398 -0.900
48 HB2 CYS 7 HB2 CYS 7 2.857 -3.564 -2.866
49 HB3 CYS 7 HB1 CYS 7 4.521 -3.091 -2.542
50 H VAL 8 HN VAL 8 4.680 0.038 -1.072
51 HA VAL 8 HA VAL 8 5.411 1.040 -3.751
52 HB VAL 8 HB VAL 8 5.417 2.492 -1.101
53 HG11 VAL 8 HG11 VAL 8 6.271 3.458 -3.823
54 HG12 VAL 8 HG12 VAL 8 7.295 3.255 -2.401
55 HG13 VAL 8 HG13 VAL 8 6.039 4.492 -2.414
56 HG21 VAL 8 HG21 VAL 8 3.740 2.885 -3.573
57 HG22 VAL 8 HG22 VAL 8 3.704 3.910 -2.139
58 HG23 VAL 8 HG23 VAL 8 3.188 2.227 -2.033
59 H TYR 9 HN TYR 9 7.520 1.105 -4.285
60 HA TYR 9 HA TYR 9 9.445 -0.061 -2.439
61 HB2 TYR 9 HB2 TYR 9 9.266 0.322 -5.364
62 HB3 TYR 9 HB1 TYR 9 10.871 0.482 -4.677
63 HD1 TYR 9 HD1 TYR 9 8.039 -1.803 -5.193
64 HD2 TYR 9 HD2 TYR 9 12.061 -1.437 -3.854
65 HE1 TYR 9 HE1 TYR 9 8.243 -4.251 -5.169
66 HE2 TYR 9 HE2 TYR 9 12.278 -3.888 -3.827
67 HH TYR 9 HH TYR 9 10.890 -5.853 -3.687
68 H ARG 10 HN ARG 10 9.933 1.520 -0.978
69 HA ARG 10 HA ARG 10 11.340 3.833 -2.110
70 HB2 ARG 10 HB2 ARG 10 10.474 5.266 -0.488
71 HB3 ARG 10 HB1 ARG 10 9.085 4.313 -0.951
72 HG2 ARG 10 HG2 ARG 10 9.462 2.895 1.043
73 HG3 ARG 10 HG1 ARG 10 10.761 3.982 1.523
74 HD2 ARG 10 HD2 ARG 10 7.867 4.728 1.152
75 HD3 ARG 10 HD1 ARG 10 8.697 4.517 2.693
76 HE ARG 10 HE ARG 10 9.932 6.467 0.981
77 HH11 ARG 10 HH11 ARG 10 7.474 5.919 3.406
78 HH12 ARG 10 HH12 ARG 10 7.408 7.582 3.898
79 HH21 ARG 10 HH21 ARG 10 9.841 8.659 1.610
80 HH22 ARG 10 HH22 ARG 10 8.765 9.142 2.882
81 H ASN 11 HN ASN 11 13.361 4.140 -1.347
82 HA ASN 11 HA ASN 11 15.347 3.679 -0.322
83 HB2 ASN 11 HB2 ASN 11 13.782 2.509 1.982
84 HB3 ASN 11 HB1 ASN 11 15.388 3.216 2.023
85 HD21 ASN 11 HD21 ASN 11 14.651 5.504 0.380
86 HD22 ASN 11 HD22 ASN 11 13.676 6.523 1.376
87 H ALA 12 HN ALA 12 13.890 1.723 -1.965
88 HA ALA 12 HA ALA 12 13.948 -0.415 -2.688
89 HB1 ALA 12 HB1 ALA 12 15.886 -1.783 -2.220
90 HB2 ALA 12 HB2 ALA 12 16.346 -0.721 -0.888
91 HB3 ALA 12 HB3 ALA 12 16.384 -0.121 -2.546
92 H VAL 13 HN VAL 13 12.548 0.380 -0.167
93 HA VAL 13 HA VAL 13 12.192 -2.332 0.932
94 HB VAL 13 HB VAL 13 11.377 0.266 2.235
95 HG11 VAL 13 HG11 VAL 13 10.030 -1.641 2.906
96 HG12 VAL 13 HG12 VAL 13 11.058 -1.105 4.234
97 HG13 VAL 13 HG13 VAL 13 11.488 -2.544 3.312
98 HG21 VAL 13 HG21 VAL 13 13.763 -1.473 2.852
99 HG22 VAL 13 HG22 VAL 13 13.252 -0.054 3.768
100 HG23 VAL 13 HG23 VAL 13 13.813 0.123 2.104
101 H ARG 14 HN ARG 14 10.312 -3.281 0.566
102 HA ARG 14 HA ARG 14 8.293 -1.891 -0.970
103 HB2 ARG 14 HB2 ARG 14 9.222 -4.187 -1.526
104 HB3 ARG 14 HB1 ARG 14 8.347 -4.787 -0.129
105 HG2 ARG 14 HG2 ARG 14 6.261 -3.930 -1.143
106 HG3 ARG 14 HG1 ARG 14 7.204 -3.557 -2.588
107 HD2 ARG 14 HD2 ARG 14 7.839 -5.887 -2.808
108 HD3 ARG 14 HD1 ARG 14 6.971 -6.278 -1.324
109 HE ARG 14 HE ARG 14 5.504 -5.114 -3.559
110 HH11 ARG 14 HH11 ARG 14 6.187 -7.850 -1.499
111 HH12 ARG 14 HH12 ARG 14 4.806 -8.761 -2.020
112 HH21 ARG 14 HH21 ARG 14 3.659 -6.303 -4.249
113 HH22 ARG 14 HH22 ARG 14 3.361 -7.878 -3.577
114 H VAL 15 HN VAL 15 7.047 -0.653 0.362
115 HA VAL 15 HA VAL 15 5.937 -1.947 2.762
116 HB VAL 15 HB VAL 15 5.356 0.362 3.520
117 HG11 VAL 15 HG11 VAL 15 7.334 -0.778 4.362
118 HG12 VAL 15 HG12 VAL 15 7.640 0.952 4.195
119 HG13 VAL 15 HG13 VAL 15 8.276 -0.178 2.998
120 HG21 VAL 15 HG21 VAL 15 7.051 1.184 1.165
121 HG22 VAL 15 HG22 VAL 15 6.541 2.255 2.468
122 HG23 VAL 15 HG23 VAL 15 5.336 1.528 1.404
123 H CYS 16 HN CYS 16 3.877 -2.500 2.779
124 HA CYS 16 HA CYS 16 2.119 -1.498 0.672
125 HB2 CYS 16 HB2 CYS 16 2.260 -3.974 2.248
126 HB3 CYS 16 HB1 CYS 16 0.631 -3.347 2.032
127 H HIS 17 HN HIS 17 0.578 -0.087 1.026
128 HA HIS 17 HA HIS 17 -0.185 0.518 3.817
129 HB2 HIS 17 HB2 HIS 17 -0.809 2.371 1.552
130 HB3 HIS 17 HB1 HIS 17 -0.530 2.746 3.244
131 HD1 HIS 17 HD1 HIS 17 0.995 3.118 0.062
132 HD2 HIS 17 HD2 HIS 17 2.398 2.296 3.883
133 HE1 HIS 17 HE1 HIS 17 3.437 3.663 0.013
134 HE2 HIS 17 HE2 HIS 17 4.194 3.421 2.404
135 H ARG 18 HN ARG 18 -2.334 0.366 4.351
136 HA ARG 18 HA ARG 18 -4.091 -0.756 2.324
137 HB2 ARG 18 HB2 ARG 18 -4.060 -1.769 4.581
138 HB3 ARG 18 HB1 ARG 18 -4.620 -0.245 5.259
139 HG2 ARG 18 HG2 ARG 18 -6.663 -0.427 3.890
140 HG3 ARG 18 HG1 ARG 18 -6.111 -2.003 3.325
141 HD2 ARG 18 HD2 ARG 18 -6.121 -2.827 5.625
142 HD3 ARG 18 HD1 ARG 18 -6.661 -1.250 6.189
143 HE ARG 18 HE ARG 18 -8.265 -2.960 4.397
144 HH11 ARG 18 HH11 ARG 18 -7.996 -0.779 7.122
145 HH12 ARG 18 HH12 ARG 18 -9.693 -0.800 7.468
146 HH21 ARG 18 HH21 ARG 18 -10.505 -2.987 4.858
147 HH22 ARG 18 HH22 ARG 18 -11.113 -2.063 6.195
148 H ARG 19 HN ARG 19 -4.946 0.692 1.004
149 HA ARG 19 HA ARG 19 -6.068 3.144 2.190
150 HB2 ARG 19 HB2 ARG 19 -5.385 4.409 0.366
151 HB3 ARG 19 HB1 ARG 19 -4.035 3.303 0.568
152 HG2 ARG 19 HG2 ARG 19 -4.254 2.872 -1.602
153 HG3 ARG 19 HG1 ARG 19 -5.696 1.949 -1.166
154 HD2 ARG 19 HD2 ARG 19 -6.261 3.496 -2.919
155 HD3 ARG 19 HD1 ARG 19 -7.037 4.021 -1.419
156 HE ARG 19 HE ARG 19 -4.515 5.278 -1.733
157 HH11 ARG 19 HH11 ARG 19 -7.792 5.368 -2.950
158 HH12 ARG 19 HH12 ARG 19 -7.710 7.039 -3.401
159 HH21 ARG 19 HH21 ARG 19 -4.412 7.474 -2.292
160 HH22 ARG 19 HH22 ARG 19 -5.784 8.244 -3.025
161 H CYS 20 HN CYS 20 -7.904 4.030 0.893
162 HA CYS 20 HA CYS 20 -9.488 1.858 -0.298
163 HB2 CYS 20 HB2 CYS 20 -10.619 4.030 1.455
164 HB3 CYS 20 HB1 CYS 20 -11.434 2.580 0.884
165 H ASN 21 HN ASN 21 -11.238 2.652 -1.722
166 HA ASN 21 HA ASN 21 -10.236 4.907 -3.249
167 HB2 ASN 21 HB2 ASN 21 -12.111 4.194 -4.873
168 HB3 ASN 21 HB1 ASN 21 -10.708 3.155 -4.697
169 HD21 ASN 21 HD21 ASN 21 -13.538 3.446 -2.565
170 HD22 ASN 21 HD22 ASN 21 -14.061 1.802 -2.782
Start of MODEL 14
1 H1 ALA 1 HT1 ALA 1 -16.986 1.399 -1.259
2 H2 ALA 1 HT2 ALA 1 -17.251 2.743 -0.269
3 H3 ALA 1 HT3 ALA 1 -17.115 1.202 0.413
4 HA ALA 1 HA ALA 1 -14.957 2.602 -1.038
5 HB1 ALA 1 HB1 ALA 1 -15.299 2.183 1.927
6 HB2 ALA 1 HB2 ALA 1 -15.488 3.712 1.073
7 HB3 ALA 1 HB3 ALA 1 -13.911 2.927 1.133
8 H PHE 2 HN PHE 2 -13.656 1.172 -1.914
9 HA PHE 2 HA PHE 2 -13.348 -1.463 -0.647
10 HB2 PHE 2 HB2 PHE 2 -13.888 -1.576 -3.007
11 HB3 PHE 2 HB1 PHE 2 -12.586 -0.462 -3.402
12 HD1 PHE 2 HD1 PHE 2 -10.395 -1.231 -3.753
13 HD2 PHE 2 HD2 PHE 2 -13.342 -3.835 -2.145
14 HE1 PHE 2 HE1 PHE 2 -8.883 -3.136 -4.072
15 HE2 PHE 2 HE2 PHE 2 -11.840 -5.742 -2.461
16 HZ PHE 2 HZ PHE 2 -9.564 -5.373 -3.439
17 H CYS 3 HN CYS 3 -11.475 -2.026 0.323
18 HA CYS 3 HA CYS 3 -9.296 -0.052 0.227
19 HB2 CYS 3 HB2 CYS 3 -9.979 -1.945 2.481
20 HB3 CYS 3 HB1 CYS 3 -8.742 -0.691 2.503
21 H TRP 4 HN TRP 4 -7.202 -0.749 -0.004
22 HA TRP 4 HA TRP 4 -6.626 -3.587 -0.117
23 HB2 TRP 4 HB2 TRP 4 -5.816 -3.608 -2.379
24 HB3 TRP 4 HB1 TRP 4 -7.472 -3.028 -2.400
25 HD1 TRP 4 HD1 TRP 4 -3.919 -1.989 -3.214
26 HE1 TRP 4 HE1 TRP 4 -3.963 0.246 -4.482
27 HE3 TRP 4 HE3 TRP 4 -8.841 -0.773 -2.551
28 HZ2 TRP 4 HZ2 TRP 4 -5.821 2.266 -5.096
29 HZ3 TRP 4 HZ3 TRP 4 -9.671 1.333 -3.508
30 HH2 TRP 4 HH2 TRP 4 -8.193 2.823 -4.756
31 H ASN 5 HN ASN 5 -4.220 -3.861 -0.768
32 HA ASN 5 HA ASN 5 -2.748 -1.845 0.777
33 HB2 ASN 5 HB2 ASN 5 -2.235 -4.776 0.303
34 HB3 ASN 5 HB1 ASN 5 -1.021 -3.703 0.990
35 HD21 ASN 5 HD21 ASN 5 -3.987 -5.383 1.512
36 HD22 ASN 5 HD22 ASN 5 -4.109 -5.068 3.209
37 H VAL 6 HN VAL 6 -1.726 -0.445 -0.424
38 HA VAL 6 HA VAL 6 -0.678 -1.172 -3.041
39 HB VAL 6 HB VAL 6 -0.511 1.482 -1.596
40 HG11 VAL 6 HG11 VAL 6 -0.076 0.780 -4.498
41 HG12 VAL 6 HG12 VAL 6 1.189 1.163 -3.331
42 HG13 VAL 6 HG13 VAL 6 0.014 2.396 -3.795
43 HG21 VAL 6 HG21 VAL 6 -2.469 0.573 -3.697
44 HG22 VAL 6 HG22 VAL 6 -2.345 2.204 -3.041
45 HG23 VAL 6 HG23 VAL 6 -2.835 0.869 -1.998
46 H CYS 7 HN CYS 7 1.185 -2.264 -2.983
47 HA CYS 7 HA CYS 7 3.200 -1.674 -0.984
48 HB2 CYS 7 HB2 CYS 7 2.728 -3.826 -2.939
49 HB3 CYS 7 HB1 CYS 7 4.415 -3.448 -2.628
50 H VAL 8 HN VAL 8 4.565 -0.120 -1.231
51 HA VAL 8 HA VAL 8 5.393 0.667 -3.956
52 HB VAL 8 HB VAL 8 5.321 2.351 -1.448
53 HG11 VAL 8 HG11 VAL 8 5.842 4.238 -2.959
54 HG12 VAL 8 HG12 VAL 8 6.094 3.080 -4.266
55 HG13 VAL 8 HG13 VAL 8 7.146 3.054 -2.848
56 HG21 VAL 8 HG21 VAL 8 3.538 3.609 -2.594
57 HG22 VAL 8 HG22 VAL 8 3.084 1.936 -2.273
58 HG23 VAL 8 HG23 VAL 8 3.567 2.423 -3.898
59 H TYR 9 HN TYR 9 7.546 0.681 -4.402
60 HA TYR 9 HA TYR 9 9.354 -0.317 -2.360
61 HB2 TYR 9 HB2 TYR 9 9.260 -0.643 -5.097
62 HB3 TYR 9 HB1 TYR 9 10.548 0.532 -4.901
63 HD1 TYR 9 HD1 TYR 9 9.411 -2.817 -3.739
64 HD2 TYR 9 HD2 TYR 9 12.680 -0.160 -4.295
65 HE1 TYR 9 HE1 TYR 9 10.972 -4.628 -3.166
66 HE2 TYR 9 HE2 TYR 9 14.256 -1.961 -3.728
67 HH TYR 9 HH TYR 9 14.197 -4.115 -2.420
68 H ARG 10 HN ARG 10 9.739 1.231 -0.909
69 HA ARG 10 HA ARG 10 10.714 3.833 -1.899
70 HB2 ARG 10 HB2 ARG 10 8.443 3.885 -0.811
71 HB3 ARG 10 HB1 ARG 10 9.206 3.333 0.672
72 HG2 ARG 10 HG2 ARG 10 10.639 5.371 0.611
73 HG3 ARG 10 HG1 ARG 10 9.679 5.927 -0.767
74 HD2 ARG 10 HD2 ARG 10 7.665 5.867 0.595
75 HD3 ARG 10 HD1 ARG 10 8.590 5.260 1.963
76 HE ARG 10 HE ARG 10 9.582 7.760 0.973
77 HH11 ARG 10 HH11 ARG 10 7.204 6.251 3.040
78 HH12 ARG 10 HH12 ARG 10 6.987 7.648 4.043
79 HH21 ARG 10 HH21 ARG 10 9.297 9.619 2.293
80 HH22 ARG 10 HH22 ARG 10 8.181 9.567 3.619
81 H ASN 11 HN ASN 11 12.762 4.183 -1.390
82 HA ASN 11 HA ASN 11 14.819 4.019 -0.442
83 HB2 ASN 11 HB2 ASN 11 13.266 3.253 2.045
84 HB3 ASN 11 HB1 ASN 11 14.971 3.688 2.002
85 HD21 ASN 11 HD21 ASN 11 12.616 4.890 3.340
86 HD22 ASN 11 HD22 ASN 11 12.633 6.554 2.868
87 H ALA 12 HN ALA 12 13.700 1.867 -1.845
88 HA ALA 12 HA ALA 12 14.080 -0.277 -2.427
89 HB1 ALA 12 HB1 ALA 12 16.125 -1.364 -1.676
90 HB2 ALA 12 HB2 ALA 12 16.326 -0.148 -0.414
91 HB3 ALA 12 HB3 ALA 12 16.435 0.316 -2.110
92 H VAL 13 HN VAL 13 12.329 0.414 -0.115
93 HA VAL 13 HA VAL 13 12.104 -2.355 0.873
94 HB VAL 13 HB VAL 13 11.106 0.082 2.350
95 HG11 VAL 13 HG11 VAL 13 9.868 -1.958 2.809
96 HG12 VAL 13 HG12 VAL 13 10.813 -1.473 4.218
97 HG13 VAL 13 HG13 VAL 13 11.368 -2.797 3.196
98 HG21 VAL 13 HG21 VAL 13 13.584 -1.542 2.908
99 HG22 VAL 13 HG22 VAL 13 12.939 -0.257 3.932
100 HG23 VAL 13 HG23 VAL 13 13.543 0.119 2.318
101 H ARG 14 HN ARG 14 10.255 -3.328 0.313
102 HA ARG 14 HA ARG 14 8.261 -1.785 -1.111
103 HB2 ARG 14 HB2 ARG 14 9.088 -3.956 -2.005
104 HB3 ARG 14 HB1 ARG 14 8.388 -4.761 -0.606
105 HG2 ARG 14 HG2 ARG 14 6.189 -3.951 -1.256
106 HG3 ARG 14 HG1 ARG 14 6.887 -3.205 -2.692
107 HD2 ARG 14 HD2 ARG 14 5.908 -5.328 -3.285
108 HD3 ARG 14 HD1 ARG 14 7.663 -5.434 -3.418
109 HE ARG 14 HE ARG 14 7.124 -6.314 -0.893
110 HH11 ARG 14 HH11 ARG 14 6.090 -7.244 -4.105
111 HH12 ARG 14 HH12 ARG 14 5.794 -8.897 -3.664
112 HH21 ARG 14 HH21 ARG 14 6.744 -8.476 -0.310
113 HH22 ARG 14 HH22 ARG 14 6.156 -9.596 -1.497
114 H VAL 15 HN VAL 15 7.036 -0.687 0.277
115 HA VAL 15 HA VAL 15 5.950 -2.087 2.622
116 HB VAL 15 HB VAL 15 5.321 0.292 3.341
117 HG11 VAL 15 HG11 VAL 15 8.226 -0.488 3.108
118 HG12 VAL 15 HG12 VAL 15 7.113 -0.981 4.384
119 HG13 VAL 15 HG13 VAL 15 7.576 0.713 4.224
120 HG21 VAL 15 HG21 VAL 15 5.643 1.343 1.143
121 HG22 VAL 15 HG22 VAL 15 7.366 0.972 1.228
122 HG23 VAL 15 HG23 VAL 15 6.647 2.094 2.385
123 H CYS 16 HN CYS 16 3.918 -2.733 2.557
124 HA CYS 16 HA CYS 16 2.103 -1.664 0.559
125 HB2 CYS 16 HB2 CYS 16 2.239 -4.098 2.187
126 HB3 CYS 16 HB1 CYS 16 0.620 -3.430 2.028
127 H HIS 17 HN HIS 17 0.693 -0.141 0.916
128 HA HIS 17 HA HIS 17 0.009 0.544 3.705
129 HB2 HIS 17 HB2 HIS 17 -0.556 2.409 1.439
130 HB3 HIS 17 HB1 HIS 17 -0.200 2.782 3.117
131 HD1 HIS 17 HD1 HIS 17 1.253 2.957 -0.129
132 HD2 HIS 17 HD2 HIS 17 2.707 2.212 3.691
133 HE1 HIS 17 HE1 HIS 17 3.724 3.352 -0.263
134 HE2 HIS 17 HE2 HIS 17 4.555 3.071 2.101
135 H ARG 18 HN ARG 18 -2.129 0.508 4.286
136 HA ARG 18 HA ARG 18 -3.931 -0.644 2.317
137 HB2 ARG 18 HB2 ARG 18 -3.799 -1.613 4.614
138 HB3 ARG 18 HB1 ARG 18 -4.445 -0.103 5.247
139 HG2 ARG 18 HG2 ARG 18 -6.457 -0.435 3.839
140 HG3 ARG 18 HG1 ARG 18 -5.820 -2.013 3.374
141 HD2 ARG 18 HD2 ARG 18 -5.838 -2.708 5.716
142 HD3 ARG 18 HD1 ARG 18 -6.463 -1.127 6.183
143 HE ARG 18 HE ARG 18 -7.920 -3.229 4.748
144 HH11 ARG 18 HH11 ARG 18 -7.903 -0.044 6.198
145 HH12 ARG 18 HH12 ARG 18 -9.631 0.062 6.291
146 HH21 ARG 18 HH21 ARG 18 -10.197 -3.099 4.881
147 HH22 ARG 18 HH22 ARG 18 -10.937 -1.682 5.553
148 H ARG 19 HN ARG 19 -4.791 0.806 1.008
149 HA ARG 19 HA ARG 19 -5.852 3.295 2.176
150 HB2 ARG 19 HB2 ARG 19 -5.305 4.444 0.240
151 HB3 ARG 19 HB1 ARG 19 -3.974 3.303 0.348
152 HG2 ARG 19 HG2 ARG 19 -4.443 2.789 -1.764
153 HG3 ARG 19 HG1 ARG 19 -5.850 1.931 -1.129
154 HD2 ARG 19 HD2 ARG 19 -6.615 3.405 -2.849
155 HD3 ARG 19 HD1 ARG 19 -7.131 4.072 -1.297
156 HE ARG 19 HE ARG 19 -4.617 5.061 -2.382
157 HH11 ARG 19 HH11 ARG 19 -8.049 5.598 -1.878
158 HH12 ARG 19 HH12 ARG 19 -7.956 7.296 -2.219
159 HH21 ARG 19 HH21 ARG 19 -4.503 7.298 -2.827
160 HH22 ARG 19 HH22 ARG 19 -5.945 8.261 -2.744
161 H CYS 20 HN CYS 20 -7.823 4.117 0.970
162 HA CYS 20 HA CYS 20 -9.489 1.864 0.087
163 HB2 CYS 20 HB2 CYS 20 -10.300 4.025 2.027
164 HB3 CYS 20 HB1 CYS 20 -11.359 2.763 1.406
165 H ASN 21 HN ASN 21 -11.161 2.354 -1.329
166 HA ASN 21 HA ASN 21 -11.421 5.135 -2.221
167 HB2 ASN 21 HB2 ASN 21 -9.999 4.080 -3.889
168 HB3 ASN 21 HB1 ASN 21 -11.115 2.725 -4.028
169 HD21 ASN 21 HD21 ASN 21 -12.982 2.950 -5.203
170 HD22 ASN 21 HD22 ASN 21 -13.290 4.310 -6.227
Start of MODEL 15
1 H1 ALA 1 HT1 ALA 1 -16.087 1.423 1.941
2 H2 ALA 1 HT2 ALA 1 -16.896 1.251 0.468
3 H3 ALA 1 HT3 ALA 1 -16.751 2.777 1.177
4 HA ALA 1 HA ALA 1 -15.211 2.538 -0.655
5 HB1 ALA 1 HB1 ALA 1 -13.195 3.213 0.520
6 HB2 ALA 1 HB2 ALA 1 -13.838 2.571 2.029
7 HB3 ALA 1 HB3 ALA 1 -14.611 3.955 1.261
8 H PHE 2 HN PHE 2 -13.590 1.398 -1.698
9 HA PHE 2 HA PHE 2 -13.230 -1.357 -0.755
10 HB2 PHE 2 HB2 PHE 2 -13.944 -1.094 -3.088
11 HB3 PHE 2 HB1 PHE 2 -12.536 -0.090 -3.421
12 HD1 PHE 2 HD1 PHE 2 -10.502 -1.048 -4.037
13 HD2 PHE 2 HD2 PHE 2 -13.590 -3.482 -2.428
14 HE1 PHE 2 HE1 PHE 2 -9.224 -3.057 -4.639
15 HE2 PHE 2 HE2 PHE 2 -12.330 -5.494 -3.029
16 HZ PHE 2 HZ PHE 2 -10.099 -5.274 -4.127
17 H CYS 3 HN CYS 3 -11.425 -1.909 0.275
18 HA CYS 3 HA CYS 3 -9.153 -0.049 0.123
19 HB2 CYS 3 HB2 CYS 3 -9.840 -1.937 2.380
20 HB3 CYS 3 HB1 CYS 3 -8.595 -0.693 2.386
21 H TRP 4 HN TRP 4 -7.080 -0.830 -0.138
22 HA TRP 4 HA TRP 4 -6.624 -3.684 -0.267
23 HB2 TRP 4 HB2 TRP 4 -5.860 -3.766 -2.538
24 HB3 TRP 4 HB1 TRP 4 -7.478 -3.083 -2.542
25 HD1 TRP 4 HD1 TRP 4 -3.821 -2.129 -3.194
26 HE1 TRP 4 HE1 TRP 4 -3.777 0.038 -4.579
27 HE3 TRP 4 HE3 TRP 4 -8.791 -0.949 -3.019
28 HZ2 TRP 4 HZ2 TRP 4 -5.592 1.989 -5.460
29 HZ3 TRP 4 HZ3 TRP 4 -9.556 1.093 -4.162
30 HH2 TRP 4 HH2 TRP 4 -7.987 2.533 -5.358
31 H ASN 5 HN ASN 5 -4.276 -4.107 -0.877
32 HA ASN 5 HA ASN 5 -2.679 -2.291 0.750
33 HB2 ASN 5 HB2 ASN 5 -2.335 -5.133 -0.160
34 HB3 ASN 5 HB1 ASN 5 -0.965 -4.219 0.463
35 HD21 ASN 5 HD21 ASN 5 -0.779 -5.635 2.207
36 HD22 ASN 5 HD22 ASN 5 -1.876 -5.582 3.542
37 H VAL 6 HN VAL 6 -1.748 -0.700 -0.284
38 HA VAL 6 HA VAL 6 -0.724 -1.056 -2.994
39 HB VAL 6 HB VAL 6 -0.684 1.408 -1.247
40 HG11 VAL 6 HG11 VAL 6 -0.273 2.603 -3.355
41 HG12 VAL 6 HG12 VAL 6 -0.189 1.054 -4.197
42 HG13 VAL 6 HG13 VAL 6 1.014 1.458 -2.974
43 HG21 VAL 6 HG21 VAL 6 -2.970 0.747 -1.694
44 HG22 VAL 6 HG22 VAL 6 -2.620 0.618 -3.415
45 HG23 VAL 6 HG23 VAL 6 -2.564 2.188 -2.622
46 H CYS 7 HN CYS 7 1.204 -2.025 -3.088
47 HA CYS 7 HA CYS 7 3.166 -1.583 -0.990
48 HB2 CYS 7 HB2 CYS 7 2.922 -3.502 -3.256
49 HB3 CYS 7 HB1 CYS 7 4.515 -3.182 -2.587
50 H VAL 8 HN VAL 8 4.369 0.114 -1.093
51 HA VAL 8 HA VAL 8 5.280 1.117 -3.708
52 HB VAL 8 HB VAL 8 5.224 2.461 -1.006
53 HG11 VAL 8 HG11 VAL 8 6.203 3.559 -3.634
54 HG12 VAL 8 HG12 VAL 8 7.190 3.195 -2.217
55 HG13 VAL 8 HG13 VAL 8 5.997 4.489 -2.148
56 HG21 VAL 8 HG21 VAL 8 3.033 2.320 -2.032
57 HG22 VAL 8 HG22 VAL 8 3.669 3.003 -3.527
58 HG23 VAL 8 HG23 VAL 8 3.607 3.985 -2.066
59 H TYR 9 HN TYR 9 7.386 1.048 -4.211
60 HA TYR 9 HA TYR 9 9.218 -0.104 -2.271
61 HB2 TYR 9 HB2 TYR 9 9.128 0.069 -5.216
62 HB3 TYR 9 HB1 TYR 9 10.725 0.224 -4.498
63 HD1 TYR 9 HD1 TYR 9 7.848 -1.993 -4.982
64 HD2 TYR 9 HD2 TYR 9 11.770 -1.648 -3.369
65 HE1 TYR 9 HE1 TYR 9 7.966 -4.436 -4.771
66 HE2 TYR 9 HE2 TYR 9 11.899 -4.094 -3.149
67 HH TYR 9 HH TYR 9 10.381 -6.018 -2.974
68 H ARG 10 HN ARG 10 9.810 1.378 -0.901
69 HA ARG 10 HA ARG 10 10.808 3.952 -1.929
70 HB2 ARG 10 HB2 ARG 10 8.663 4.092 -0.678
71 HB3 ARG 10 HB1 ARG 10 9.452 3.367 0.710
72 HG2 ARG 10 HG2 ARG 10 9.199 5.768 0.930
73 HG3 ARG 10 HG1 ARG 10 10.896 5.290 0.941
74 HD2 ARG 10 HD2 ARG 10 11.158 6.019 -1.337
75 HD3 ARG 10 HD1 ARG 10 9.427 6.328 -1.480
76 HE ARG 10 HE ARG 10 10.316 7.876 0.630
77 HH11 ARG 10 HH11 ARG 10 11.000 7.620 -2.791
78 HH12 ARG 10 HH12 ARG 10 11.371 9.304 -2.972
79 HH21 ARG 10 HH21 ARG 10 10.793 10.088 0.401
80 HH22 ARG 10 HH22 ARG 10 11.242 10.719 -1.153
81 H ASN 11 HN ASN 11 12.930 4.064 -1.717
82 HA ASN 11 HA ASN 11 15.069 3.653 -1.083
83 HB2 ASN 11 HB2 ASN 11 13.790 3.325 1.643
84 HB3 ASN 11 HB1 ASN 11 15.527 3.424 1.361
85 HD21 ASN 11 HD21 ASN 11 13.734 5.182 2.881
86 HD22 ASN 11 HD22 ASN 11 13.939 6.758 2.198
87 H ALA 12 HN ALA 12 13.622 1.595 -2.201
88 HA ALA 12 HA ALA 12 13.810 -0.584 -2.751
89 HB1 ALA 12 HB1 ALA 12 16.003 -0.760 -0.696
90 HB2 ALA 12 HB2 ALA 12 16.219 -0.310 -2.388
91 HB3 ALA 12 HB3 ALA 12 15.652 -1.928 -1.970
92 H VAL 13 HN VAL 13 12.717 0.490 0.134
93 HA VAL 13 HA VAL 13 12.107 -2.131 1.248
94 HB VAL 13 HB VAL 13 11.189 0.574 2.218
95 HG11 VAL 13 HG11 VAL 13 10.732 -0.557 4.322
96 HG12 VAL 13 HG12 VAL 13 11.271 -2.085 3.626
97 HG13 VAL 13 HG13 VAL 13 9.826 -1.297 3.001
98 HG21 VAL 13 HG21 VAL 13 13.562 -1.065 3.097
99 HG22 VAL 13 HG22 VAL 13 12.976 0.390 3.903
100 HG23 VAL 13 HG23 VAL 13 13.612 0.487 2.260
101 H ARG 14 HN ARG 14 10.288 -3.176 0.845
102 HA ARG 14 HA ARG 14 8.264 -1.942 -0.814
103 HB2 ARG 14 HB2 ARG 14 9.165 -4.214 -1.297
104 HB3 ARG 14 HB1 ARG 14 8.470 -4.775 0.218
105 HG2 ARG 14 HG2 ARG 14 6.241 -4.203 -0.598
106 HG3 ARG 14 HG1 ARG 14 6.963 -3.650 -2.109
107 HD2 ARG 14 HD2 ARG 14 6.071 -5.905 -2.350
108 HD3 ARG 14 HD1 ARG 14 7.824 -5.895 -2.531
109 HE ARG 14 HE ARG 14 6.370 -6.818 -0.137
110 HH11 ARG 14 HH11 ARG 14 9.213 -6.852 -2.200
111 HH12 ARG 14 HH12 ARG 14 10.003 -8.100 -1.291
112 HH21 ARG 14 HH21 ARG 14 7.411 -8.460 1.050
113 HH22 ARG 14 HH22 ARG 14 8.980 -9.015 0.560
114 H VAL 15 HN VAL 15 6.971 -0.659 0.389
115 HA VAL 15 HA VAL 15 5.855 -1.808 2.858
116 HB VAL 15 HB VAL 15 5.241 0.587 3.427
117 HG11 VAL 15 HG11 VAL 15 7.482 1.112 4.256
118 HG12 VAL 15 HG12 VAL 15 8.165 -0.106 3.183
119 HG13 VAL 15 HG13 VAL 15 7.091 -0.589 4.494
120 HG21 VAL 15 HG21 VAL 15 7.176 1.159 1.184
121 HG22 VAL 15 HG22 VAL 15 6.591 2.345 2.350
122 HG23 VAL 15 HG23 VAL 15 5.464 1.583 1.227
123 H CYS 16 HN CYS 16 3.912 -2.633 2.580
124 HA CYS 16 HA CYS 16 2.118 -1.477 0.600
125 HB2 CYS 16 HB2 CYS 16 2.410 -4.081 1.814
126 HB3 CYS 16 HB1 CYS 16 0.757 -3.496 1.975
127 H HIS 17 HN HIS 17 0.573 -0.130 1.056
128 HA HIS 17 HA HIS 17 -0.143 0.325 3.886
129 HB2 HIS 17 HB2 HIS 17 -0.882 2.277 1.739
130 HB3 HIS 17 HB1 HIS 17 -0.515 2.573 3.431
131 HD1 HIS 17 HD1 HIS 17 0.753 3.328 0.282
132 HD2 HIS 17 HD2 HIS 17 2.513 1.962 3.788
133 HE1 HIS 17 HE1 HIS 17 3.184 3.919 0.090
134 HE2 HIS 17 HE2 HIS 17 4.177 3.288 2.315
135 H ARG 18 HN ARG 18 -2.359 0.326 4.425
136 HA ARG 18 HA ARG 18 -4.079 -0.860 2.403
137 HB2 ARG 18 HB2 ARG 18 -4.105 -1.779 4.698
138 HB3 ARG 18 HB1 ARG 18 -4.666 -0.224 5.302
139 HG2 ARG 18 HG2 ARG 18 -6.731 -0.427 4.142
140 HG3 ARG 18 HG1 ARG 18 -6.164 -1.848 3.264
141 HD2 ARG 18 HD2 ARG 18 -6.022 -3.077 5.382
142 HD3 ARG 18 HD1 ARG 18 -6.624 -1.659 6.237
143 HE ARG 18 HE ARG 18 -8.725 -1.937 5.093
144 HH11 ARG 18 HH11 ARG 18 -6.509 -4.640 4.885
145 HH12 ARG 18 HH12 ARG 18 -7.745 -5.783 4.478
146 HH21 ARG 18 HH21 ARG 18 -10.354 -3.443 4.553
147 HH22 ARG 18 HH22 ARG 18 -9.930 -5.106 4.301
148 H ARG 19 HN ARG 19 -4.646 0.641 0.978
149 HA ARG 19 HA ARG 19 -5.632 3.230 1.946
150 HB2 ARG 19 HB2 ARG 19 -5.063 4.138 -0.098
151 HB3 ARG 19 HB1 ARG 19 -3.860 2.863 0.014
152 HG2 ARG 19 HG2 ARG 19 -4.548 2.329 -2.040
153 HG3 ARG 19 HG1 ARG 19 -5.909 1.560 -1.221
154 HD2 ARG 19 HD2 ARG 19 -6.824 2.938 -2.923
155 HD3 ARG 19 HD1 ARG 19 -7.114 3.764 -1.388
156 HE ARG 19 HE ARG 19 -4.683 4.576 -2.696
157 HH11 ARG 19 HH11 ARG 19 -8.127 5.151 -2.442
158 HH12 ARG 19 HH12 ARG 19 -8.034 6.750 -3.102
159 HH21 ARG 19 HH21 ARG 19 -4.559 6.667 -3.573
160 HH22 ARG 19 HH22 ARG 19 -6.001 7.614 -3.750
161 H CYS 20 HN CYS 20 -7.615 4.064 0.884
162 HA CYS 20 HA CYS 20 -9.437 1.899 0.110
163 HB2 CYS 20 HB2 CYS 20 -10.027 4.062 2.130
164 HB3 CYS 20 HB1 CYS 20 -11.196 2.892 1.529
165 H ASN 21 HN ASN 21 -10.816 2.357 -1.482
166 HA ASN 21 HA ASN 21 -10.855 5.118 -2.510
167 HB2 ASN 21 HB2 ASN 21 -9.915 3.389 -4.051
168 HB3 ASN 21 HB1 ASN 21 -11.466 2.556 -4.004
169 HD21 ASN 21 HD21 ASN 21 -11.943 2.801 -6.140
170 HD22 ASN 21 HD22 ASN 21 -12.285 4.331 -6.874
Start of MODEL 16
1 H1 ALA 1 HT1 ALA 1 -17.316 2.420 -0.101
2 H2 ALA 1 HT2 ALA 1 -16.909 0.856 0.397
3 H3 ALA 1 HT3 ALA 1 -17.093 1.197 -1.249
4 HA ALA 1 HA ALA 1 -15.190 2.608 -1.251
5 HB1 ALA 1 HB1 ALA 1 -14.973 1.931 1.682
6 HB2 ALA 1 HB2 ALA 1 -15.445 3.494 1.014
7 HB3 ALA 1 HB3 ALA 1 -13.814 2.876 0.749
8 H PHE 2 HN PHE 2 -13.510 1.599 -2.168
9 HA PHE 2 HA PHE 2 -13.183 -1.264 -1.589
10 HB2 PHE 2 HB2 PHE 2 -13.626 -0.758 -3.932
11 HB3 PHE 2 HB1 PHE 2 -12.285 0.381 -3.969
12 HD1 PHE 2 HD1 PHE 2 -10.164 -0.324 -4.574
13 HD2 PHE 2 HD2 PHE 2 -13.089 -3.188 -3.436
14 HE1 PHE 2 HE1 PHE 2 -8.658 -2.134 -5.271
15 HE2 PHE 2 HE2 PHE 2 -11.600 -5.002 -4.136
16 HZ PHE 2 HZ PHE 2 -9.340 -4.458 -5.059
17 H CYS 3 HN CYS 3 -11.566 -1.821 -0.303
18 HA CYS 3 HA CYS 3 -9.304 0.030 -0.014
19 HB2 CYS 3 HB2 CYS 3 -9.965 -2.282 1.806
20 HB3 CYS 3 HB1 CYS 3 -8.917 -0.911 2.141
21 H TRP 4 HN TRP 4 -7.189 -0.671 -0.306
22 HA TRP 4 HA TRP 4 -6.701 -3.470 -0.852
23 HB2 TRP 4 HB2 TRP 4 -5.798 -3.212 -3.046
24 HB3 TRP 4 HB1 TRP 4 -7.408 -2.514 -3.051
25 HD1 TRP 4 HD1 TRP 4 -3.725 -1.572 -3.421
26 HE1 TRP 4 HE1 TRP 4 -3.579 0.793 -4.418
27 HE3 TRP 4 HE3 TRP 4 -8.659 -0.254 -3.136
28 HZ2 TRP 4 HZ2 TRP 4 -5.304 2.934 -4.990
29 HZ3 TRP 4 HZ3 TRP 4 -9.326 1.978 -3.932
30 HH2 TRP 4 HH2 TRP 4 -7.684 3.538 -4.840
31 H ASN 5 HN ASN 5 -4.371 -3.896 -1.215
32 HA ASN 5 HA ASN 5 -2.867 -2.289 0.693
33 HB2 ASN 5 HB2 ASN 5 -2.343 -5.001 -0.535
34 HB3 ASN 5 HB1 ASN 5 -1.225 -4.194 0.560
35 HD21 ASN 5 HD21 ASN 5 -1.701 -4.099 2.737
36 HD22 ASN 5 HD22 ASN 5 -2.999 -4.990 3.451
37 H VAL 6 HN VAL 6 -1.851 -0.625 -0.149
38 HA VAL 6 HA VAL 6 -0.665 -0.775 -2.800
39 HB VAL 6 HB VAL 6 -0.533 1.514 -0.833
40 HG11 VAL 6 HG11 VAL 6 0.048 2.851 -2.764
41 HG12 VAL 6 HG12 VAL 6 -0.128 1.448 -3.817
42 HG13 VAL 6 HG13 VAL 6 1.164 1.491 -2.620
43 HG21 VAL 6 HG21 VAL 6 -2.502 1.047 -3.065
44 HG22 VAL 6 HG22 VAL 6 -2.352 2.531 -2.131
45 HG23 VAL 6 HG23 VAL 6 -2.860 1.040 -1.339
46 H CYS 7 HN CYS 7 1.133 -1.974 -2.791
47 HA CYS 7 HA CYS 7 3.045 -1.667 -0.607
48 HB2 CYS 7 HB2 CYS 7 2.953 -3.662 -2.872
49 HB3 CYS 7 HB1 CYS 7 4.178 -3.625 -1.607
50 H VAL 8 HN VAL 8 4.294 0.006 -0.857
51 HA VAL 8 HA VAL 8 5.137 0.795 -3.557
52 HB VAL 8 HB VAL 8 5.392 2.345 -0.980
53 HG11 VAL 8 HG11 VAL 8 5.700 3.220 -3.846
54 HG12 VAL 8 HG12 VAL 8 6.996 3.038 -2.663
55 HG13 VAL 8 HG13 VAL 8 5.764 4.278 -2.436
56 HG21 VAL 8 HG21 VAL 8 3.045 1.974 -1.506
57 HG22 VAL 8 HG22 VAL 8 3.303 2.591 -3.140
58 HG23 VAL 8 HG23 VAL 8 3.480 3.665 -1.751
59 H TYR 9 HN TYR 9 7.192 0.614 -4.180
60 HA TYR 9 HA TYR 9 9.164 -0.359 -2.282
61 HB2 TYR 9 HB2 TYR 9 8.766 -0.831 -4.977
62 HB3 TYR 9 HB1 TYR 9 10.116 0.296 -4.975
63 HD1 TYR 9 HD1 TYR 9 9.007 -2.753 -3.131
64 HD2 TYR 9 HD2 TYR 9 12.234 -0.625 -4.905
65 HE1 TYR 9 HE1 TYR 9 10.514 -4.616 -2.594
66 HE2 TYR 9 HE2 TYR 9 13.754 -2.483 -4.375
67 HH TYR 9 HH TYR 9 13.918 -4.351 -2.844
68 H ARG 10 HN ARG 10 9.762 1.234 -0.980
69 HA ARG 10 HA ARG 10 10.542 3.800 -2.196
70 HB2 ARG 10 HB2 ARG 10 8.469 3.856 -0.784
71 HB3 ARG 10 HB1 ARG 10 9.450 3.356 0.586
72 HG2 ARG 10 HG2 ARG 10 10.734 5.393 0.464
73 HG3 ARG 10 HG1 ARG 10 9.868 5.878 -0.998
74 HD2 ARG 10 HD2 ARG 10 8.591 5.415 1.692
75 HD3 ARG 10 HD1 ARG 10 9.024 6.995 1.039
76 HE ARG 10 HE ARG 10 7.464 5.994 -0.899
77 HH11 ARG 10 HH11 ARG 10 7.014 6.218 2.566
78 HH12 ARG 10 HH12 ARG 10 5.289 6.373 2.457
79 HH21 ARG 10 HH21 ARG 10 5.189 6.195 -1.041
80 HH22 ARG 10 HH22 ARG 10 4.258 6.366 0.414
81 H ASN 11 HN ASN 11 12.652 3.984 -2.187
82 HA ASN 11 HA ASN 11 14.840 3.862 -1.612
83 HB2 ASN 11 HB2 ASN 11 13.790 3.521 1.209
84 HB3 ASN 11 HB1 ASN 11 15.453 3.899 0.774
85 HD21 ASN 11 HD21 ASN 11 13.601 5.400 2.419
86 HD22 ASN 11 HD22 ASN 11 13.445 6.956 1.680
87 H ALA 12 HN ALA 12 13.481 1.608 -2.498
88 HA ALA 12 HA ALA 12 13.838 -0.579 -2.921
89 HB1 ALA 12 HB1 ALA 12 15.919 -1.637 -2.248
90 HB2 ALA 12 HB2 ALA 12 16.244 -0.320 -1.120
91 HB3 ALA 12 HB3 ALA 12 16.218 -0.009 -2.856
92 H VAL 13 HN VAL 13 12.548 0.502 -0.304
93 HA VAL 13 HA VAL 13 12.334 -2.140 0.983
94 HB VAL 13 HB VAL 13 11.546 0.518 2.181
95 HG11 VAL 13 HG11 VAL 13 11.838 -2.219 3.409
96 HG12 VAL 13 HG12 VAL 13 10.323 -1.374 3.091
97 HG13 VAL 13 HG13 VAL 13 11.455 -0.738 4.286
98 HG21 VAL 13 HG21 VAL 13 14.041 -1.106 2.660
99 HG22 VAL 13 HG22 VAL 13 13.554 0.320 3.577
100 HG23 VAL 13 HG23 VAL 13 13.956 0.467 1.865
101 H ARG 14 HN ARG 14 10.395 -3.136 0.946
102 HA ARG 14 HA ARG 14 8.280 -1.869 -0.582
103 HB2 ARG 14 HB2 ARG 14 8.864 -4.126 -1.193
104 HB3 ARG 14 HB1 ARG 14 8.608 -4.680 0.457
105 HG2 ARG 14 HG2 ARG 14 6.265 -4.264 0.299
106 HG3 ARG 14 HG1 ARG 14 6.455 -3.510 -1.283
107 HD2 ARG 14 HD2 ARG 14 7.178 -6.362 -0.673
108 HD3 ARG 14 HD1 ARG 14 5.624 -5.863 -1.334
109 HE ARG 14 HE ARG 14 7.392 -4.787 -3.066
110 HH11 ARG 14 HH11 ARG 14 6.940 -8.010 -1.792
111 HH12 ARG 14 HH12 ARG 14 7.576 -8.798 -3.199
112 HH21 ARG 14 HH21 ARG 14 8.223 -5.827 -4.937
113 HH22 ARG 14 HH22 ARG 14 8.301 -7.560 -4.988
114 H VAL 15 HN VAL 15 7.000 -0.565 0.535
115 HA VAL 15 HA VAL 15 6.090 -1.461 3.186
116 HB VAL 15 HB VAL 15 5.423 0.932 3.557
117 HG11 VAL 15 HG11 VAL 15 8.347 0.390 3.044
118 HG12 VAL 15 HG12 VAL 15 7.459 0.013 4.520
119 HG13 VAL 15 HG13 VAL 15 7.705 1.693 4.045
120 HG21 VAL 15 HG21 VAL 15 6.561 2.637 2.151
121 HG22 VAL 15 HG22 VAL 15 5.298 1.743 1.304
122 HG23 VAL 15 HG23 VAL 15 6.997 1.355 1.019
123 H CYS 16 HN CYS 16 4.179 -2.377 3.149
124 HA CYS 16 HA CYS 16 2.268 -1.669 1.064
125 HB2 CYS 16 HB2 CYS 16 2.194 -3.898 3.104
126 HB3 CYS 16 HB1 CYS 16 1.022 -3.654 1.811
127 H HIS 17 HN HIS 17 0.740 -0.258 1.415
128 HA HIS 17 HA HIS 17 -0.162 0.213 4.192
129 HB2 HIS 17 HB2 HIS 17 -0.783 2.173 2.027
130 HB3 HIS 17 HB1 HIS 17 -0.497 2.456 3.734
131 HD1 HIS 17 HD1 HIS 17 0.863 3.438 0.754
132 HD2 HIS 17 HD2 HIS 17 2.567 1.694 4.113
133 HE1 HIS 17 HE1 HIS 17 3.292 4.050 0.672
134 HE2 HIS 17 HE2 HIS 17 4.238 3.203 2.850
135 H ARG 18 HN ARG 18 -2.362 0.015 4.606
136 HA ARG 18 HA ARG 18 -3.986 -0.952 2.384
137 HB2 ARG 18 HB2 ARG 18 -4.194 -2.239 4.419
138 HB3 ARG 18 HB1 ARG 18 -4.568 -0.791 5.346
139 HG2 ARG 18 HG2 ARG 18 -6.667 -0.537 4.183
140 HG3 ARG 18 HG1 ARG 18 -6.280 -1.895 3.126
141 HD2 ARG 18 HD2 ARG 18 -6.382 -3.428 4.952
142 HD3 ARG 18 HD1 ARG 18 -6.530 -2.116 6.119
143 HE ARG 18 HE ARG 18 -8.726 -1.644 5.073
144 HH11 ARG 18 HH11 ARG 18 -7.316 -4.832 4.721
145 HH12 ARG 18 HH12 ARG 18 -8.849 -5.622 4.528
146 HH21 ARG 18 HH21 ARG 18 -10.739 -2.678 4.826
147 HH22 ARG 18 HH22 ARG 18 -10.800 -4.395 4.579
148 H ARG 19 HN ARG 19 -4.549 0.713 1.149
149 HA ARG 19 HA ARG 19 -5.727 3.073 2.436
150 HB2 ARG 19 HB2 ARG 19 -5.072 4.332 0.624
151 HB3 ARG 19 HB1 ARG 19 -3.815 3.105 0.601
152 HG2 ARG 19 HG2 ARG 19 -4.354 2.978 -1.575
153 HG3 ARG 19 HG1 ARG 19 -5.654 1.933 -0.992
154 HD2 ARG 19 HD2 ARG 19 -6.588 3.565 -2.488
155 HD3 ARG 19 HD1 ARG 19 -7.121 3.931 -0.843
156 HE ARG 19 HE ARG 19 -4.740 5.344 -1.566
157 HH11 ARG 19 HH11 ARG 19 -8.230 5.392 -1.819
158 HH12 ARG 19 HH12 ARG 19 -8.315 7.103 -2.081
159 HH21 ARG 19 HH21 ARG 19 -4.851 7.597 -1.915
160 HH22 ARG 19 HH22 ARG 19 -6.393 8.359 -2.135
161 H CYS 20 HN CYS 20 -7.711 3.952 1.339
162 HA CYS 20 HA CYS 20 -9.237 1.898 -0.057
163 HB2 CYS 20 HB2 CYS 20 -9.559 1.915 2.539
164 HB3 CYS 20 HB1 CYS 20 -10.555 3.325 2.210
165 H ASN 21 HN ASN 21 -11.023 2.688 -1.206
166 HA ASN 21 HA ASN 21 -11.220 5.599 -1.453
167 HB2 ASN 21 HB2 ASN 21 -9.667 4.858 -3.212
168 HB3 ASN 21 HB1 ASN 21 -10.861 3.696 -3.784
169 HD21 ASN 21 HD21 ASN 21 -12.607 4.406 -4.969
170 HD22 ASN 21 HD22 ASN 21 -12.724 6.016 -5.593
Start of MODEL 17
1 H1 ALA 1 HT1 ALA 1 -16.608 1.488 0.617
2 H2 ALA 1 HT2 ALA 1 -17.080 1.184 -0.976
3 H3 ALA 1 HT3 ALA 1 -17.094 2.762 -0.379
4 HA ALA 1 HA ALA 1 -15.206 2.379 -1.830
5 HB1 ALA 1 HB1 ALA 1 -15.037 4.022 -0.027
6 HB2 ALA 1 HB2 ALA 1 -13.489 3.231 -0.317
7 HB3 ALA 1 HB3 ALA 1 -14.468 2.765 1.072
8 H PHE 2 HN PHE 2 -13.515 1.117 -2.469
9 HA PHE 2 HA PHE 2 -13.274 -1.470 -1.128
10 HB2 PHE 2 HB2 PHE 2 -13.601 -1.599 -3.524
11 HB3 PHE 2 HB1 PHE 2 -12.255 -0.500 -3.807
12 HD1 PHE 2 HD1 PHE 2 -10.218 -1.359 -4.327
13 HD2 PHE 2 HD2 PHE 2 -12.994 -3.786 -2.212
14 HE1 PHE 2 HE1 PHE 2 -8.661 -3.241 -4.468
15 HE2 PHE 2 HE2 PHE 2 -11.446 -5.687 -2.355
16 HZ PHE 2 HZ PHE 2 -9.270 -5.424 -3.483
17 H CYS 3 HN CYS 3 -11.513 -2.063 -0.010
18 HA CYS 3 HA CYS 3 -9.317 -0.114 0.128
19 HB2 CYS 3 HB2 CYS 3 -10.156 -2.089 2.257
20 HB3 CYS 3 HB1 CYS 3 -8.961 -0.808 2.420
21 H TRP 4 HN TRP 4 -7.288 -0.772 -0.313
22 HA TRP 4 HA TRP 4 -6.677 -3.622 -0.371
23 HB2 TRP 4 HB2 TRP 4 -5.828 -3.608 -2.618
24 HB3 TRP 4 HB1 TRP 4 -7.476 -3.001 -2.660
25 HD1 TRP 4 HD1 TRP 4 -3.862 -1.926 -3.274
26 HE1 TRP 4 HE1 TRP 4 -3.869 0.320 -4.517
27 HE3 TRP 4 HE3 TRP 4 -8.845 -0.807 -2.934
28 HZ2 TRP 4 HZ2 TRP 4 -5.715 2.307 -5.242
29 HZ3 TRP 4 HZ3 TRP 4 -9.646 1.290 -3.932
30 HH2 TRP 4 HH2 TRP 4 -8.113 2.818 -5.062
31 H ASN 5 HN ASN 5 -4.334 -4.001 -0.725
32 HA ASN 5 HA ASN 5 -2.855 -2.043 0.831
33 HB2 ASN 5 HB2 ASN 5 -1.094 -3.832 0.924
34 HB3 ASN 5 HB1 ASN 5 -2.638 -4.283 1.637
35 HD21 ASN 5 HD21 ASN 5 -0.329 -4.920 -0.825
36 HD22 ASN 5 HD22 ASN 5 -1.094 -6.324 -1.483
37 H VAL 6 HN VAL 6 -1.889 -0.487 -0.188
38 HA VAL 6 HA VAL 6 -0.805 -0.862 -2.871
39 HB VAL 6 HB VAL 6 -0.783 1.611 -1.132
40 HG11 VAL 6 HG11 VAL 6 0.933 1.636 -2.857
41 HG12 VAL 6 HG12 VAL 6 -0.338 2.802 -3.231
42 HG13 VAL 6 HG13 VAL 6 -0.275 1.259 -4.085
43 HG21 VAL 6 HG21 VAL 6 -2.692 0.845 -3.333
44 HG22 VAL 6 HG22 VAL 6 -2.652 2.396 -2.499
45 HG23 VAL 6 HG23 VAL 6 -3.066 0.930 -1.612
46 H CYS 7 HN CYS 7 1.139 -1.775 -2.972
47 HA CYS 7 HA CYS 7 3.062 -1.359 -0.823
48 HB2 CYS 7 HB2 CYS 7 2.702 -3.377 -2.955
49 HB3 CYS 7 HB1 CYS 7 4.362 -3.006 -2.511
50 H VAL 8 HN VAL 8 4.654 0.029 -0.949
51 HA VAL 8 HA VAL 8 5.387 1.102 -3.600
52 HB VAL 8 HB VAL 8 5.607 2.464 -0.917
53 HG11 VAL 8 HG11 VAL 8 6.160 4.475 -2.227
54 HG12 VAL 8 HG12 VAL 8 6.187 3.489 -3.689
55 HG13 VAL 8 HG13 VAL 8 7.362 3.196 -2.405
56 HG21 VAL 8 HG21 VAL 8 3.681 2.961 -3.181
57 HG22 VAL 8 HG22 VAL 8 3.836 3.955 -1.733
58 HG23 VAL 8 HG23 VAL 8 3.286 2.284 -1.602
59 H TYR 9 HN TYR 9 7.436 0.892 -4.208
60 HA TYR 9 HA TYR 9 9.362 -0.178 -2.288
61 HB2 TYR 9 HB2 TYR 9 9.007 -0.430 -5.159
62 HB3 TYR 9 HB1 TYR 9 10.641 0.072 -4.759
63 HD1 TYR 9 HD1 TYR 9 8.240 -2.647 -4.694
64 HD2 TYR 9 HD2 TYR 9 12.052 -1.353 -3.319
65 HE1 TYR 9 HE1 TYR 9 8.826 -4.973 -4.141
66 HE2 TYR 9 HE2 TYR 9 12.648 -3.669 -2.766
67 HH TYR 9 HH TYR 9 11.525 -5.783 -2.237
68 H ARG 10 HN ARG 10 10.002 1.514 -1.096
69 HA ARG 10 HA ARG 10 11.456 3.612 -2.539
70 HB2 ARG 10 HB2 ARG 10 10.788 5.216 -0.833
71 HB3 ARG 10 HB1 ARG 10 9.376 4.550 -1.623
72 HG2 ARG 10 HG2 ARG 10 9.001 3.077 0.263
73 HG3 ARG 10 HG1 ARG 10 10.445 3.703 1.056
74 HD2 ARG 10 HD2 ARG 10 8.386 4.724 1.924
75 HD3 ARG 10 HD1 ARG 10 9.464 5.907 1.193
76 HE ARG 10 HE ARG 10 7.920 5.565 -0.847
77 HH11 ARG 10 HH11 ARG 10 6.905 5.471 2.501
78 HH12 ARG 10 HH12 ARG 10 5.302 6.039 2.164
79 HH21 ARG 10 HH21 ARG 10 5.810 6.340 -1.292
80 HH22 ARG 10 HH22 ARG 10 4.684 6.544 0.012
81 H ASN 11 HN ASN 11 13.421 4.142 -1.662
82 HA ASN 11 HA ASN 11 15.431 3.662 -0.696
83 HB2 ASN 11 HB2 ASN 11 13.754 2.748 1.655
84 HB3 ASN 11 HB1 ASN 11 15.465 3.152 1.697
85 HD21 ASN 11 HD21 ASN 11 13.153 4.252 3.134
86 HD22 ASN 11 HD22 ASN 11 13.181 5.953 2.824
87 H ALA 12 HN ALA 12 13.920 1.633 -2.215
88 HA ALA 12 HA ALA 12 13.996 -0.537 -2.843
89 HB1 ALA 12 HB1 ALA 12 16.426 -0.219 -2.777
90 HB2 ALA 12 HB2 ALA 12 15.975 -1.860 -2.310
91 HB3 ALA 12 HB3 ALA 12 16.441 -0.688 -1.076
92 H VAL 13 HN VAL 13 12.667 0.363 -0.293
93 HA VAL 13 HA VAL 13 12.332 -2.310 0.906
94 HB VAL 13 HB VAL 13 11.580 0.333 2.163
95 HG11 VAL 13 HG11 VAL 13 10.306 -1.570 2.981
96 HG12 VAL 13 HG12 VAL 13 11.402 -0.971 4.224
97 HG13 VAL 13 HG13 VAL 13 11.802 -2.436 3.329
98 HG21 VAL 13 HG21 VAL 13 14.030 -1.343 2.691
99 HG22 VAL 13 HG22 VAL 13 13.545 0.091 3.596
100 HG23 VAL 13 HG23 VAL 13 14.005 0.230 1.899
101 H ARG 14 HN ARG 14 10.370 -3.235 0.712
102 HA ARG 14 HA ARG 14 8.317 -1.833 -0.768
103 HB2 ARG 14 HB2 ARG 14 9.038 -4.257 -1.161
104 HB3 ARG 14 HB1 ARG 14 8.184 -4.637 0.329
105 HG2 ARG 14 HG2 ARG 14 6.135 -3.642 -0.680
106 HG3 ARG 14 HG1 ARG 14 7.036 -3.495 -2.189
107 HD2 ARG 14 HD2 ARG 14 5.704 -5.509 -2.241
108 HD3 ARG 14 HD1 ARG 14 7.413 -5.935 -2.168
109 HE ARG 14 HE ARG 14 6.882 -6.096 0.371
110 HH11 ARG 14 HH11 ARG 14 4.817 -7.113 -2.269
111 HH12 ARG 14 HH12 ARG 14 3.991 -8.307 -1.325
112 HH21 ARG 14 HH21 ARG 14 5.796 -7.661 1.610
113 HH22 ARG 14 HH22 ARG 14 4.546 -8.618 0.883
114 H VAL 15 HN VAL 15 6.702 -0.780 0.213
115 HA VAL 15 HA VAL 15 5.881 -1.717 2.881
116 HB VAL 15 HB VAL 15 7.207 0.369 3.039
117 HG11 VAL 15 HG11 VAL 15 6.332 2.486 2.290
118 HG12 VAL 15 HG12 VAL 15 4.932 1.682 1.583
119 HG13 VAL 15 HG13 VAL 15 6.541 1.396 0.917
120 HG21 VAL 15 HG21 VAL 15 4.314 0.622 3.828
121 HG22 VAL 15 HG22 VAL 15 5.643 1.571 4.495
122 HG23 VAL 15 HG23 VAL 15 5.588 -0.172 4.755
123 H CYS 16 HN CYS 16 3.830 -2.326 2.933
124 HA CYS 16 HA CYS 16 2.030 -1.328 0.849
125 HB2 CYS 16 HB2 CYS 16 2.368 -3.899 2.133
126 HB3 CYS 16 HB1 CYS 16 0.702 -3.344 2.234
127 H HIS 17 HN HIS 17 0.423 -0.044 1.271
128 HA HIS 17 HA HIS 17 -0.419 0.342 4.080
129 HB2 HIS 17 HB2 HIS 17 -1.039 2.389 1.999
130 HB3 HIS 17 HB1 HIS 17 -0.740 2.606 3.713
131 HD1 HIS 17 HD1 HIS 17 0.723 3.237 0.537
132 HD2 HIS 17 HD2 HIS 17 2.202 2.226 4.281
133 HE1 HIS 17 HE1 HIS 17 3.139 3.893 0.502
134 HE2 HIS 17 HE2 HIS 17 3.920 3.540 2.870
135 H ARG 18 HN ARG 18 -2.619 0.102 4.483
136 HA ARG 18 HA ARG 18 -4.164 -0.932 2.241
137 HB2 ARG 18 HB2 ARG 18 -4.151 -2.187 4.372
138 HB3 ARG 18 HB1 ARG 18 -4.889 -0.808 5.174
139 HG2 ARG 18 HG2 ARG 18 -6.900 -1.060 3.964
140 HG3 ARG 18 HG1 ARG 18 -6.166 -2.211 2.846
141 HD2 ARG 18 HD2 ARG 18 -5.895 -3.810 4.674
142 HD3 ARG 18 HD1 ARG 18 -6.619 -2.660 5.794
143 HE ARG 18 HE ARG 18 -8.667 -2.854 4.357
144 HH11 ARG 18 HH11 ARG 18 -6.342 -5.469 4.562
145 HH12 ARG 18 HH12 ARG 18 -7.509 -6.695 4.185
146 HH21 ARG 18 HH21 ARG 18 -10.194 -4.479 3.855
147 HH22 ARG 18 HH22 ARG 18 -9.680 -6.135 3.767
148 H ARG 19 HN ARG 19 -4.879 0.683 1.029
149 HA ARG 19 HA ARG 19 -6.043 3.045 2.332
150 HB2 ARG 19 HB2 ARG 19 -5.541 4.273 0.414
151 HB3 ARG 19 HB1 ARG 19 -4.179 3.168 0.523
152 HG2 ARG 19 HG2 ARG 19 -4.598 2.727 -1.618
153 HG3 ARG 19 HG1 ARG 19 -5.956 1.764 -1.031
154 HD2 ARG 19 HD2 ARG 19 -6.801 3.226 -2.710
155 HD3 ARG 19 HD1 ARG 19 -7.355 3.846 -1.152
156 HE ARG 19 HE ARG 19 -4.888 5.013 -2.117
157 HH11 ARG 19 HH11 ARG 19 -8.378 5.274 -2.011
158 HH12 ARG 19 HH12 ARG 19 -8.392 6.955 -2.423
159 HH21 ARG 19 HH21 ARG 19 -4.912 7.233 -2.664
160 HH22 ARG 19 HH22 ARG 19 -6.427 8.065 -2.803
161 H CYS 20 HN CYS 20 -7.986 3.960 1.227
162 HA CYS 20 HA CYS 20 -9.705 1.821 0.173
163 HB2 CYS 20 HB2 CYS 20 -10.450 3.911 2.218
164 HB3 CYS 20 HB1 CYS 20 -11.576 2.774 1.484
165 H ASN 21 HN ASN 21 -11.027 2.358 -1.480
166 HA ASN 21 HA ASN 21 -11.499 5.156 -2.131
167 HB2 ASN 21 HB2 ASN 21 -9.458 4.695 -3.375
168 HB3 ASN 21 HB1 ASN 21 -10.162 3.228 -4.045
169 HD21 ASN 21 HD21 ASN 21 -11.621 3.371 -5.712
170 HD22 ASN 21 HD22 ASN 21 -11.916 4.836 -6.580
Start of MODEL 18
1 H1 ALA 1 HT1 ALA 1 -17.042 1.598 1.303
2 H2 ALA 1 HT2 ALA 1 -16.722 3.155 1.878
3 H3 ALA 1 HT3 ALA 1 -15.838 1.841 2.462
4 HA ALA 1 HA ALA 1 -15.806 2.764 -0.348
5 HB1 ALA 1 HB1 ALA 1 -13.583 3.651 0.137
6 HB2 ALA 1 HB2 ALA 1 -13.758 3.184 1.829
7 HB3 ALA 1 HB3 ALA 1 -14.803 4.427 1.144
8 H PHE 2 HN PHE 2 -13.905 1.815 -1.494
9 HA PHE 2 HA PHE 2 -13.495 -0.955 -0.637
10 HB2 PHE 2 HB2 PHE 2 -14.238 -0.626 -2.959
11 HB3 PHE 2 HB1 PHE 2 -12.835 0.391 -3.272
12 HD1 PHE 2 HD1 PHE 2 -10.735 -0.539 -3.762
13 HD2 PHE 2 HD2 PHE 2 -13.945 -3.035 -2.535
14 HE1 PHE 2 HE1 PHE 2 -9.435 -2.514 -4.413
15 HE2 PHE 2 HE2 PHE 2 -12.657 -5.019 -3.184
16 HZ PHE 2 HZ PHE 2 -10.394 -4.768 -4.125
17 H CYS 3 HN CYS 3 -11.640 -1.577 0.248
18 HA CYS 3 HA CYS 3 -9.337 0.239 0.032
19 HB2 CYS 3 HB2 CYS 3 -9.981 -1.539 2.390
20 HB3 CYS 3 HB1 CYS 3 -8.735 -0.299 2.297
21 H TRP 4 HN TRP 4 -7.306 -0.662 -0.210
22 HA TRP 4 HA TRP 4 -7.018 -3.546 -0.312
23 HB2 TRP 4 HB2 TRP 4 -6.220 -3.634 -2.592
24 HB3 TRP 4 HB1 TRP 4 -7.826 -2.921 -2.589
25 HD1 TRP 4 HD1 TRP 4 -4.229 -2.186 -3.514
26 HE1 TRP 4 HE1 TRP 4 -4.112 0.076 -4.725
27 HE3 TRP 4 HE3 TRP 4 -8.985 -0.516 -2.620
28 HZ2 TRP 4 HZ2 TRP 4 -5.772 2.273 -5.216
29 HZ3 TRP 4 HZ3 TRP 4 -9.634 1.689 -3.499
30 HH2 TRP 4 HH2 TRP 4 -8.061 3.055 -4.772
31 H ASN 5 HN ASN 5 -4.674 -4.102 -0.846
32 HA ASN 5 HA ASN 5 -3.005 -2.223 0.640
33 HB2 ASN 5 HB2 ASN 5 -1.482 -4.057 1.022
34 HB3 ASN 5 HB1 ASN 5 -3.111 -4.593 1.402
35 HD21 ASN 5 HD21 ASN 5 -4.136 -6.081 0.016
36 HD22 ASN 5 HD22 ASN 5 -3.231 -7.033 -1.112
37 H VAL 6 HN VAL 6 -1.560 -1.012 -0.300
38 HA VAL 6 HA VAL 6 -0.653 -1.699 -3.023
39 HB VAL 6 HB VAL 6 -0.587 1.038 -1.755
40 HG11 VAL 6 HG11 VAL 6 1.016 0.695 -3.548
41 HG12 VAL 6 HG12 VAL 6 -0.252 1.815 -4.048
42 HG13 VAL 6 HG13 VAL 6 -0.276 0.145 -4.614
43 HG21 VAL 6 HG21 VAL 6 -2.522 1.612 -3.143
44 HG22 VAL 6 HG22 VAL 6 -2.905 0.365 -1.955
45 HG23 VAL 6 HG23 VAL 6 -2.649 -0.074 -3.644
46 H CYS 7 HN CYS 7 1.331 -2.591 -2.902
47 HA CYS 7 HA CYS 7 3.138 -1.668 -0.795
48 HB2 CYS 7 HB2 CYS 7 2.639 -4.212 -1.872
49 HB3 CYS 7 HB1 CYS 7 4.258 -3.770 -2.400
50 H VAL 8 HN VAL 8 4.668 -0.323 -1.176
51 HA VAL 8 HA VAL 8 5.476 0.175 -3.973
52 HB VAL 8 HB VAL 8 5.230 2.153 -1.705
53 HG11 VAL 8 HG11 VAL 8 7.130 2.763 -3.034
54 HG12 VAL 8 HG12 VAL 8 5.803 3.867 -3.400
55 HG13 VAL 8 HG13 VAL 8 6.203 2.566 -4.522
56 HG21 VAL 8 HG21 VAL 8 3.672 1.890 -4.270
57 HG22 VAL 8 HG22 VAL 8 3.505 3.204 -3.108
58 HG23 VAL 8 HG23 VAL 8 3.074 1.558 -2.645
59 H TYR 9 HN TYR 9 7.617 0.217 -4.396
60 HA TYR 9 HA TYR 9 9.491 -0.400 -2.301
61 HB2 TYR 9 HB2 TYR 9 9.531 -0.310 -5.235
62 HB3 TYR 9 HB1 TYR 9 11.013 0.267 -4.489
63 HD1 TYR 9 HD1 TYR 9 8.964 -2.632 -5.218
64 HD2 TYR 9 HD2 TYR 9 12.312 -1.230 -3.003
65 HE1 TYR 9 HE1 TYR 9 9.703 -4.952 -4.876
66 HE2 TYR 9 HE2 TYR 9 13.064 -3.542 -2.658
67 HH TYR 9 HH TYR 9 12.018 -5.830 -2.616
68 H ARG 10 HN ARG 10 9.708 1.211 -0.913
69 HA ARG 10 HA ARG 10 10.425 3.862 -1.984
70 HB2 ARG 10 HB2 ARG 10 8.158 3.714 -0.891
71 HB3 ARG 10 HB1 ARG 10 8.971 3.296 0.607
72 HG2 ARG 10 HG2 ARG 10 10.157 5.460 0.526
73 HG3 ARG 10 HG1 ARG 10 9.237 5.867 -0.926
74 HD2 ARG 10 HD2 ARG 10 7.148 5.577 0.369
75 HD3 ARG 10 HD1 ARG 10 8.119 5.304 1.814
76 HE ARG 10 HE ARG 10 8.709 7.778 0.469
77 HH11 ARG 10 HH11 ARG 10 6.677 6.208 2.849
78 HH12 ARG 10 HH12 ARG 10 6.259 7.686 3.654
79 HH21 ARG 10 HH21 ARG 10 8.151 9.724 1.522
80 HH22 ARG 10 HH22 ARG 10 7.091 9.684 2.896
81 H ASN 11 HN ASN 11 12.432 4.419 -1.488
82 HA ASN 11 HA ASN 11 14.495 4.463 -0.548
83 HB2 ASN 11 HB2 ASN 11 12.954 3.639 1.923
84 HB3 ASN 11 HB1 ASN 11 14.672 4.021 1.932
85 HD21 ASN 11 HD21 ASN 11 12.370 5.318 3.253
86 HD22 ASN 11 HD22 ASN 11 12.436 6.974 2.756
87 H ALA 12 HN ALA 12 13.584 2.208 -1.952
88 HA ALA 12 HA ALA 12 14.256 0.153 -2.596
89 HB1 ALA 12 HB1 ALA 12 16.519 0.987 -2.192
90 HB2 ALA 12 HB2 ALA 12 16.383 -0.730 -1.812
91 HB3 ALA 12 HB3 ALA 12 16.416 0.462 -0.513
92 H VAL 13 HN VAL 13 12.427 0.628 -0.245
93 HA VAL 13 HA VAL 13 12.467 -2.149 0.738
94 HB VAL 13 HB VAL 13 11.575 0.256 2.333
95 HG11 VAL 13 HG11 VAL 13 10.315 -1.758 2.864
96 HG12 VAL 13 HG12 VAL 13 11.379 -1.314 4.198
97 HG13 VAL 13 HG13 VAL 13 11.819 -2.640 3.124
98 HG21 VAL 13 HG21 VAL 13 14.003 0.215 2.101
99 HG22 VAL 13 HG22 VAL 13 14.036 -1.451 2.672
100 HG23 VAL 13 HG23 VAL 13 13.521 -0.160 3.754
101 H ARG 14 HN ARG 14 10.590 -3.225 0.512
102 HA ARG 14 HA ARG 14 8.442 -1.934 -0.919
103 HB2 ARG 14 HB2 ARG 14 9.399 -4.278 -1.357
104 HB3 ARG 14 HB1 ARG 14 8.487 -4.782 0.058
105 HG2 ARG 14 HG2 ARG 14 6.433 -3.929 -1.037
106 HG3 ARG 14 HG1 ARG 14 7.402 -3.613 -2.478
107 HD2 ARG 14 HD2 ARG 14 6.325 -5.719 -2.782
108 HD3 ARG 14 HD1 ARG 14 8.035 -6.031 -2.485
109 HE ARG 14 HE ARG 14 6.806 -6.172 -0.020
110 HH11 ARG 14 HH11 ARG 14 6.587 -7.842 -3.083
111 HH12 ARG 14 HH12 ARG 14 6.003 -9.318 -2.388
112 HH21 ARG 14 HH21 ARG 14 6.030 -8.113 0.911
113 HH22 ARG 14 HH22 ARG 14 5.682 -9.471 -0.111
114 H VAL 15 HN VAL 15 7.063 -0.752 0.279
115 HA VAL 15 HA VAL 15 6.141 -1.899 2.832
116 HB VAL 15 HB VAL 15 5.402 0.468 3.360
117 HG11 VAL 15 HG11 VAL 15 8.351 -0.074 3.025
118 HG12 VAL 15 HG12 VAL 15 7.352 -0.568 4.391
119 HG13 VAL 15 HG13 VAL 15 7.644 1.144 4.088
120 HG21 VAL 15 HG21 VAL 15 7.219 1.097 1.033
121 HG22 VAL 15 HG22 VAL 15 6.589 2.274 2.186
122 HG23 VAL 15 HG23 VAL 15 5.482 1.404 1.123
123 H CYS 16 HN CYS 16 4.123 -2.551 2.977
124 HA CYS 16 HA CYS 16 2.261 -1.980 0.804
125 HB2 CYS 16 HB2 CYS 16 2.224 -3.965 3.075
126 HB3 CYS 16 HB1 CYS 16 0.840 -3.707 2.026
127 H HIS 17 HN HIS 17 0.743 -0.464 0.987
128 HA HIS 17 HA HIS 17 -0.062 0.395 3.700
129 HB2 HIS 17 HB2 HIS 17 -0.723 2.015 1.278
130 HB3 HIS 17 HB1 HIS 17 -0.453 2.549 2.927
131 HD1 HIS 17 HD1 HIS 17 1.032 2.691 -0.274
132 HD2 HIS 17 HD2 HIS 17 2.505 2.226 3.586
133 HE1 HIS 17 HE1 HIS 17 3.455 3.324 -0.396
134 HE2 HIS 17 HE2 HIS 17 4.259 3.261 1.997
135 H ARG 18 HN ARG 18 -2.192 0.231 4.257
136 HA ARG 18 HA ARG 18 -4.008 -0.937 2.297
137 HB2 ARG 18 HB2 ARG 18 -3.889 -1.862 4.625
138 HB3 ARG 18 HB1 ARG 18 -4.523 -0.332 5.218
139 HG2 ARG 18 HG2 ARG 18 -6.533 -0.686 3.800
140 HG3 ARG 18 HG1 ARG 18 -5.910 -2.286 3.401
141 HD2 ARG 18 HD2 ARG 18 -7.504 -2.500 5.183
142 HD3 ARG 18 HD1 ARG 18 -5.892 -2.825 5.819
143 HE ARG 18 HE ARG 18 -6.923 -0.113 6.106
144 HH11 ARG 18 HH11 ARG 18 -6.299 -3.224 7.578
145 HH12 ARG 18 HH12 ARG 18 -6.387 -2.619 9.200
146 HH21 ARG 18 HH21 ARG 18 -7.067 0.686 8.239
147 HH22 ARG 18 HH22 ARG 18 -6.825 -0.390 9.577
148 H ARG 19 HN ARG 19 -4.735 0.601 0.949
149 HA ARG 19 HA ARG 19 -5.599 3.159 2.125
150 HB2 ARG 19 HB2 ARG 19 -4.892 4.263 0.230
151 HB3 ARG 19 HB1 ARG 19 -3.718 2.957 0.298
152 HG2 ARG 19 HG2 ARG 19 -4.255 2.558 -1.819
153 HG3 ARG 19 HG1 ARG 19 -5.774 1.893 -1.207
154 HD2 ARG 19 HD2 ARG 19 -6.256 3.531 -2.911
155 HD3 ARG 19 HD1 ARG 19 -6.769 4.155 -1.339
156 HE ARG 19 HE ARG 19 -4.122 4.915 -2.327
157 HH11 ARG 19 HH11 ARG 19 -7.447 5.816 -1.675
158 HH12 ARG 19 HH12 ARG 19 -7.134 7.517 -1.788
159 HH21 ARG 19 HH21 ARG 19 -3.708 7.147 -2.445
160 HH22 ARG 19 HH22 ARG 19 -5.005 8.278 -2.218
161 H CYS 20 HN CYS 20 -7.462 4.192 0.980
162 HA CYS 20 HA CYS 20 -9.386 2.156 0.085
163 HB2 CYS 20 HB2 CYS 20 -9.904 4.415 2.013
164 HB3 CYS 20 HB1 CYS 20 -11.126 3.305 1.400
165 H ASN 21 HN ASN 21 -11.141 2.939 -1.186
166 HA ASN 21 HA ASN 21 -10.782 5.621 -2.339
167 HB2 ASN 21 HB2 ASN 21 -9.843 3.969 -3.910
168 HB3 ASN 21 HB1 ASN 21 -11.366 3.087 -3.896
169 HD21 ASN 21 HD21 ASN 21 -13.118 3.891 -5.024
170 HD22 ASN 21 HD22 ASN 21 -12.973 5.189 -6.158
Start of MODEL 19
1 H1 ALA 1 HT1 ALA 1 -16.685 0.497 1.875
2 H2 ALA 1 HT2 ALA 1 -16.745 2.174 2.072
3 H3 ALA 1 HT3 ALA 1 -15.461 1.289 2.725
4 HA ALA 1 HA ALA 1 -16.045 1.562 -0.162
5 HB1 ALA 1 HB1 ALA 1 -15.268 3.660 0.851
6 HB2 ALA 1 HB2 ALA 1 -14.078 2.981 -0.258
7 HB3 ALA 1 HB3 ALA 1 -13.854 2.818 1.482
8 H PHE 2 HN PHE 2 -14.372 0.686 -1.513
9 HA PHE 2 HA PHE 2 -13.364 -1.820 -0.557
10 HB2 PHE 2 HB2 PHE 2 -14.165 -1.572 -2.864
11 HB3 PHE 2 HB1 PHE 2 -12.913 -0.377 -3.182
12 HD1 PHE 2 HD1 PHE 2 -10.666 -1.024 -3.600
13 HD2 PHE 2 HD2 PHE 2 -13.607 -3.916 -2.600
14 HE1 PHE 2 HE1 PHE 2 -9.141 -2.808 -4.307
15 HE2 PHE 2 HE2 PHE 2 -12.099 -5.712 -3.310
16 HZ PHE 2 HZ PHE 2 -9.851 -5.157 -4.186
17 H CYS 3 HN CYS 3 -11.381 -2.278 0.195
18 HA CYS 3 HA CYS 3 -9.338 -0.163 0.038
19 HB2 CYS 3 HB2 CYS 3 -9.746 -2.059 2.357
20 HB3 CYS 3 HB1 CYS 3 -8.629 -0.701 2.282
21 H TRP 4 HN TRP 4 -7.130 -0.878 0.026
22 HA TRP 4 HA TRP 4 -6.563 -3.682 -0.259
23 HB2 TRP 4 HB2 TRP 4 -5.756 -3.656 -2.522
24 HB3 TRP 4 HB1 TRP 4 -7.409 -3.066 -2.530
25 HD1 TRP 4 HD1 TRP 4 -3.818 -1.948 -3.205
26 HE1 TRP 4 HE1 TRP 4 -3.877 0.291 -4.470
27 HE3 TRP 4 HE3 TRP 4 -8.805 -0.916 -2.800
28 HZ2 TRP 4 HZ2 TRP 4 -5.771 2.237 -5.184
29 HZ3 TRP 4 HZ3 TRP 4 -9.661 1.159 -3.801
30 HH2 TRP 4 HH2 TRP 4 -8.175 2.705 -4.970
31 H ASN 5 HN ASN 5 -4.215 -3.998 -0.843
32 HA ASN 5 HA ASN 5 -2.672 -2.157 0.800
33 HB2 ASN 5 HB2 ASN 5 -0.945 -3.939 0.770
34 HB3 ASN 5 HB1 ASN 5 -2.491 -4.502 1.385
35 HD21 ASN 5 HD21 ASN 5 -0.206 -5.933 0.184
36 HD22 ASN 5 HD22 ASN 5 -0.871 -6.835 -1.134
37 H VAL 6 HN VAL 6 -1.721 -0.530 -0.192
38 HA VAL 6 HA VAL 6 -0.745 -0.849 -2.929
39 HB VAL 6 HB VAL 6 -0.730 1.616 -1.174
40 HG11 VAL 6 HG11 VAL 6 1.002 1.647 -2.897
41 HG12 VAL 6 HG12 VAL 6 -0.263 2.827 -3.249
42 HG13 VAL 6 HG13 VAL 6 -0.210 1.298 -4.129
43 HG21 VAL 6 HG21 VAL 6 -3.002 0.958 -1.656
44 HG22 VAL 6 HG22 VAL 6 -2.623 0.794 -3.370
45 HG23 VAL 6 HG23 VAL 6 -2.584 2.384 -2.608
46 H CYS 7 HN CYS 7 1.151 -1.869 -3.004
47 HA CYS 7 HA CYS 7 3.170 -1.349 -0.970
48 HB2 CYS 7 HB2 CYS 7 2.738 -3.478 -2.991
49 HB3 CYS 7 HB1 CYS 7 4.403 -3.104 -2.566
50 H VAL 8 HN VAL 8 4.669 0.072 -1.220
51 HA VAL 8 HA VAL 8 5.446 0.917 -3.944
52 HB VAL 8 HB VAL 8 5.458 2.516 -1.379
53 HG11 VAL 8 HG11 VAL 8 7.358 3.121 -2.768
54 HG12 VAL 8 HG12 VAL 8 6.166 4.421 -2.731
55 HG13 VAL 8 HG13 VAL 8 6.283 3.371 -4.146
56 HG21 VAL 8 HG21 VAL 8 3.223 2.251 -2.283
57 HG22 VAL 8 HG22 VAL 8 3.779 2.798 -3.864
58 HG23 VAL 8 HG23 VAL 8 3.774 3.914 -2.498
59 H TYR 9 HN TYR 9 7.599 0.843 -4.428
60 HA TYR 9 HA TYR 9 9.386 -0.297 -2.439
61 HB2 TYR 9 HB2 TYR 9 9.238 -0.460 -5.231
62 HB3 TYR 9 HB1 TYR 9 10.665 0.511 -4.920
63 HD1 TYR 9 HD1 TYR 9 9.055 -2.709 -3.949
64 HD2 TYR 9 HD2 TYR 9 12.678 -0.531 -4.413
65 HE1 TYR 9 HE1 TYR 9 10.337 -4.752 -3.466
66 HE2 TYR 9 HE2 TYR 9 13.969 -2.566 -3.934
67 HH TYR 9 HH TYR 9 12.499 -5.690 -3.778
68 H ARG 10 HN ARG 10 9.833 1.222 -0.969
69 HA ARG 10 HA ARG 10 11.025 3.734 -1.926
70 HB2 ARG 10 HB2 ARG 10 8.679 3.875 -0.917
71 HB3 ARG 10 HB1 ARG 10 9.421 3.419 0.608
72 HG2 ARG 10 HG2 ARG 10 9.094 5.793 0.469
73 HG3 ARG 10 HG1 ARG 10 10.814 5.412 0.542
74 HD2 ARG 10 HD2 ARG 10 10.349 7.178 -1.085
75 HD3 ARG 10 HD1 ARG 10 10.989 5.739 -1.870
76 HE ARG 10 HE ARG 10 8.891 5.342 -2.833
77 HH11 ARG 10 HH11 ARG 10 8.878 8.223 -0.838
78 HH12 ARG 10 HH12 ARG 10 7.400 8.833 -1.510
79 HH21 ARG 10 HH21 ARG 10 6.946 6.154 -3.723
80 HH22 ARG 10 HH22 ARG 10 6.299 7.656 -3.143
81 H ASN 11 HN ASN 11 13.020 4.098 -1.160
82 HA ASN 11 HA ASN 11 15.006 3.741 -0.110
83 HB2 ASN 11 HB2 ASN 11 13.253 2.727 2.145
84 HB3 ASN 11 HB1 ASN 11 14.983 3.008 2.278
85 HD21 ASN 11 HD21 ASN 11 14.874 5.411 0.605
86 HD22 ASN 11 HD22 ASN 11 14.172 6.640 1.595
87 H ALA 12 HN ALA 12 13.754 1.785 -1.809
88 HA ALA 12 HA ALA 12 14.066 -0.290 -2.635
89 HB1 ALA 12 HB1 ALA 12 16.329 -0.496 -0.647
90 HB2 ALA 12 HB2 ALA 12 16.450 0.197 -2.264
91 HB3 ALA 12 HB3 ALA 12 16.078 -1.515 -2.065
92 H VAL 13 HN VAL 13 12.457 0.245 -0.112
93 HA VAL 13 HA VAL 13 12.157 -2.589 0.640
94 HB VAL 13 HB VAL 13 11.365 -0.211 2.336
95 HG11 VAL 13 HG11 VAL 13 9.995 -2.158 2.754
96 HG12 VAL 13 HG12 VAL 13 11.097 -1.909 4.109
97 HG13 VAL 13 HG13 VAL 13 11.430 -3.168 2.922
98 HG21 VAL 13 HG21 VAL 13 13.749 -2.041 2.625
99 HG22 VAL 13 HG22 VAL 13 13.252 -0.809 3.786
100 HG23 VAL 13 HG23 VAL 13 13.793 -0.335 2.176
101 H ARG 14 HN ARG 14 10.162 -3.477 0.373
102 HA ARG 14 HA ARG 14 8.237 -1.904 -1.118
103 HB2 ARG 14 HB2 ARG 14 8.875 -4.149 -1.896
104 HB3 ARG 14 HB1 ARG 14 8.252 -4.834 -0.402
105 HG2 ARG 14 HG2 ARG 14 6.031 -4.041 -0.963
106 HG3 ARG 14 HG1 ARG 14 6.644 -3.369 -2.474
107 HD2 ARG 14 HD2 ARG 14 6.712 -6.269 -1.667
108 HD3 ARG 14 HD1 ARG 14 5.583 -5.550 -2.813
109 HE ARG 14 HE ARG 14 7.761 -4.936 -4.060
110 HH11 ARG 14 HH11 ARG 14 7.157 -7.890 -2.285
111 HH12 ARG 14 HH12 ARG 14 8.294 -8.825 -3.202
112 HH21 ARG 14 HH21 ARG 14 9.252 -6.160 -5.278
113 HH22 ARG 14 HH22 ARG 14 9.487 -7.839 -4.908
114 H VAL 15 HN VAL 15 7.115 -0.609 0.237
115 HA VAL 15 HA VAL 15 5.983 -1.801 2.668
116 HB VAL 15 HB VAL 15 5.493 0.543 3.357
117 HG11 VAL 15 HG11 VAL 15 7.478 -0.593 4.170
118 HG12 VAL 15 HG12 VAL 15 7.822 1.115 3.900
119 HG13 VAL 15 HG13 VAL 15 8.376 -0.090 2.738
120 HG21 VAL 15 HG21 VAL 15 7.112 1.252 0.913
121 HG22 VAL 15 HG22 VAL 15 6.651 2.377 2.192
122 HG23 VAL 15 HG23 VAL 15 5.409 1.623 1.191
123 H CYS 16 HN CYS 16 3.891 -2.268 2.787
124 HA CYS 16 HA CYS 16 2.134 -1.264 0.671
125 HB2 CYS 16 HB2 CYS 16 2.302 -3.770 2.131
126 HB3 CYS 16 HB1 CYS 16 0.671 -3.112 2.126
127 H HIS 17 HN HIS 17 0.601 0.133 1.035
128 HA HIS 17 HA HIS 17 -0.113 0.772 3.824
129 HB2 HIS 17 HB2 HIS 17 -0.832 2.585 1.560
130 HB3 HIS 17 HB1 HIS 17 -0.477 2.987 3.231
131 HD1 HIS 17 HD1 HIS 17 0.851 3.459 0.021
132 HD2 HIS 17 HD2 HIS 17 2.525 2.452 3.684
133 HE1 HIS 17 HE1 HIS 17 3.288 4.028 -0.174
134 HE2 HIS 17 HE2 HIS 17 4.216 3.647 2.136
135 H ARG 18 HN ARG 18 -2.266 0.631 4.400
136 HA ARG 18 HA ARG 18 -3.986 -0.658 2.438
137 HB2 ARG 18 HB2 ARG 18 -3.898 -1.630 4.681
138 HB3 ARG 18 HB1 ARG 18 -4.444 -0.109 5.376
139 HG2 ARG 18 HG2 ARG 18 -6.563 -0.307 4.221
140 HG3 ARG 18 HG1 ARG 18 -6.021 -1.792 3.444
141 HD2 ARG 18 HD2 ARG 18 -5.832 -2.867 5.627
142 HD3 ARG 18 HD1 ARG 18 -6.361 -1.379 6.405
143 HE ARG 18 HE ARG 18 -8.106 -2.722 4.462
144 HH11 ARG 18 HH11 ARG 18 -7.476 -1.650 7.743
145 HH12 ARG 18 HH12 ARG 18 -9.113 -1.889 8.268
146 HH21 ARG 18 HH21 ARG 18 -10.266 -3.032 5.159
147 HH22 ARG 18 HH22 ARG 18 -10.691 -2.677 6.804
148 H ARG 19 HN ARG 19 -4.784 0.800 1.058
149 HA ARG 19 HA ARG 19 -6.013 3.226 2.190
150 HB2 ARG 19 HB2 ARG 19 -5.490 4.393 0.248
151 HB3 ARG 19 HB1 ARG 19 -4.088 3.353 0.446
152 HG2 ARG 19 HG2 ARG 19 -4.424 2.872 -1.710
153 HG3 ARG 19 HG1 ARG 19 -5.685 1.792 -1.107
154 HD2 ARG 19 HD2 ARG 19 -6.600 3.141 -2.872
155 HD3 ARG 19 HD1 ARG 19 -7.311 3.650 -1.338
156 HE ARG 19 HE ARG 19 -5.053 5.233 -1.873
157 HH11 ARG 19 HH11 ARG 19 -8.315 4.710 -3.030
158 HH12 ARG 19 HH12 ARG 19 -8.498 6.320 -3.645
159 HH21 ARG 19 HH21 ARG 19 -5.294 7.372 -2.678
160 HH22 ARG 19 HH22 ARG 19 -6.778 7.833 -3.449
161 H CYS 20 HN CYS 20 -7.956 3.994 0.973
162 HA CYS 20 HA CYS 20 -9.530 1.750 -0.083
163 HB2 CYS 20 HB2 CYS 20 -10.560 3.826 1.849
164 HB3 CYS 20 HB1 CYS 20 -11.452 2.446 1.219
165 H ASN 21 HN ASN 21 -11.027 2.270 -1.667
166 HA ASN 21 HA ASN 21 -10.609 4.876 -2.925
167 HB2 ASN 21 HB2 ASN 21 -10.382 2.903 -4.355
168 HB3 ASN 21 HB1 ASN 21 -12.011 2.385 -3.936
169 HD21 ASN 21 HD21 ASN 21 -13.756 3.400 -4.871
170 HD22 ASN 21 HD22 ASN 21 -13.606 4.483 -6.210
Start of MODEL 20
1 H1 ALA 1 HT1 ALA 1 -17.520 -0.079 -0.867
2 H2 ALA 1 HT2 ALA 1 -17.866 1.275 0.083
3 H3 ALA 1 HT3 ALA 1 -17.258 -0.129 0.800
4 HA ALA 1 HA ALA 1 -15.818 1.586 -1.131
5 HB1 ALA 1 HB1 ALA 1 -14.400 2.189 0.760
6 HB2 ALA 1 HB2 ALA 1 -15.395 1.208 1.832
7 HB3 ALA 1 HB3 ALA 1 -16.077 2.640 1.063
8 H PHE 2 HN PHE 2 -13.949 0.764 -1.915
9 HA PHE 2 HA PHE 2 -13.292 -1.998 -1.141
10 HB2 PHE 2 HB2 PHE 2 -13.798 -1.732 -3.515
11 HB3 PHE 2 HB1 PHE 2 -12.607 -0.445 -3.649
12 HD1 PHE 2 HD1 PHE 2 -10.402 -0.911 -4.148
13 HD2 PHE 2 HD2 PHE 2 -12.989 -4.054 -2.934
14 HE1 PHE 2 HE1 PHE 2 -8.676 -2.545 -4.736
15 HE2 PHE 2 HE2 PHE 2 -11.268 -5.704 -3.524
16 HZ PHE 2 HZ PHE 2 -9.101 -4.955 -4.430
17 H CYS 3 HN CYS 3 -11.346 -2.478 -0.293
18 HA CYS 3 HA CYS 3 -9.397 -0.288 -0.063
19 HB2 CYS 3 HB2 CYS 3 -9.919 -2.437 1.998
20 HB3 CYS 3 HB1 CYS 3 -8.833 -1.062 2.162
21 H TRP 4 HN TRP 4 -7.188 -0.867 -0.120
22 HA TRP 4 HA TRP 4 -6.471 -3.614 -0.649
23 HB2 TRP 4 HB2 TRP 4 -5.571 -3.282 -2.852
24 HB3 TRP 4 HB1 TRP 4 -7.250 -2.767 -2.867
25 HD1 TRP 4 HD1 TRP 4 -3.696 -1.441 -3.276
26 HE1 TRP 4 HE1 TRP 4 -3.804 0.938 -4.247
27 HE3 TRP 4 HE3 TRP 4 -8.735 -0.620 -2.891
28 HZ2 TRP 4 HZ2 TRP 4 -5.745 2.901 -4.761
29 HZ3 TRP 4 HZ3 TRP 4 -9.633 1.542 -3.644
30 HH2 TRP 4 HH2 TRP 4 -8.169 3.266 -4.560
31 H ASN 5 HN ASN 5 -4.110 -3.836 -1.003
32 HA ASN 5 HA ASN 5 -2.710 -1.985 0.753
33 HB2 ASN 5 HB2 ASN 5 -0.875 -3.699 0.656
34 HB3 ASN 5 HB1 ASN 5 -2.393 -4.288 1.326
35 HD21 ASN 5 HD21 ASN 5 -0.060 -4.607 -1.171
36 HD22 ASN 5 HD22 ASN 5 -0.787 -5.958 -1.970
37 H VAL 6 HN VAL 6 -1.800 -0.298 -0.133
38 HA VAL 6 HA VAL 6 -0.760 -0.375 -2.846
39 HB VAL 6 HB VAL 6 -0.632 1.886 -0.843
40 HG11 VAL 6 HG11 VAL 6 -0.308 1.855 -3.841
41 HG12 VAL 6 HG12 VAL 6 0.975 2.090 -2.655
42 HG13 VAL 6 HG13 VAL 6 -0.300 3.296 -2.823
43 HG21 VAL 6 HG21 VAL 6 -2.573 2.822 -2.032
44 HG22 VAL 6 HG22 VAL 6 -2.948 1.302 -1.225
45 HG23 VAL 6 HG23 VAL 6 -2.697 1.337 -2.969
46 H CYS 7 HN CYS 7 1.162 -1.307 -3.084
47 HA CYS 7 HA CYS 7 3.065 -1.186 -0.864
48 HB2 CYS 7 HB2 CYS 7 2.914 -3.037 -3.241
49 HB3 CYS 7 HB1 CYS 7 4.182 -3.087 -2.022
50 H VAL 8 HN VAL 8 4.439 0.393 -0.977
51 HA VAL 8 HA VAL 8 5.389 1.340 -3.595
52 HB VAL 8 HB VAL 8 5.627 2.641 -0.883
53 HG11 VAL 8 HG11 VAL 8 6.296 4.652 -2.129
54 HG12 VAL 8 HG12 VAL 8 6.295 3.706 -3.618
55 HG13 VAL 8 HG13 VAL 8 7.436 3.320 -2.327
56 HG21 VAL 8 HG21 VAL 8 3.938 4.234 -1.710
57 HG22 VAL 8 HG22 VAL 8 3.311 2.590 -1.586
58 HG23 VAL 8 HG23 VAL 8 3.750 3.251 -3.160
59 H TYR 9 HN TYR 9 7.469 1.078 -4.171
60 HA TYR 9 HA TYR 9 9.281 -0.169 -2.274
61 HB2 TYR 9 HB2 TYR 9 9.149 0.073 -5.207
62 HB3 TYR 9 HB1 TYR 9 10.767 0.183 -4.528
63 HD1 TYR 9 HD1 TYR 9 7.977 -1.977 -5.275
64 HD2 TYR 9 HD2 TYR 9 11.657 -1.713 -3.163
65 HE1 TYR 9 HE1 TYR 9 8.041 -4.427 -5.099
66 HE2 TYR 9 HE2 TYR 9 11.734 -4.164 -2.981
67 HH TYR 9 HH TYR 9 10.124 -6.066 -3.021
68 H ARG 10 HN ARG 10 9.945 1.276 -0.862
69 HA ARG 10 HA ARG 10 11.039 3.818 -1.866
70 HB2 ARG 10 HB2 ARG 10 9.022 3.946 -0.368
71 HB3 ARG 10 HB1 ARG 10 9.994 3.225 0.904
72 HG2 ARG 10 HG2 ARG 10 11.555 5.149 0.721
73 HG3 ARG 10 HG1 ARG 10 10.426 5.883 -0.423
74 HD2 ARG 10 HD2 ARG 10 8.674 5.848 1.276
75 HD3 ARG 10 HD1 ARG 10 9.790 5.100 2.417
76 HE ARG 10 HE ARG 10 10.760 7.583 1.364
77 HH11 ARG 10 HH11 ARG 10 8.718 6.135 3.806
78 HH12 ARG 10 HH12 ARG 10 8.818 7.494 4.880
79 HH21 ARG 10 HH21 ARG 10 10.913 9.366 2.782
80 HH22 ARG 10 HH22 ARG 10 10.078 9.328 4.303
81 H ASN 11 HN ASN 11 13.171 3.586 -2.011
82 HA ASN 11 HA ASN 11 15.339 3.129 -1.525
83 HB2 ASN 11 HB2 ASN 11 14.254 3.131 1.293
84 HB3 ASN 11 HB1 ASN 11 15.955 2.855 0.940
85 HD21 ASN 11 HD21 ASN 11 13.877 5.065 -0.837
86 HD22 ASN 11 HD22 ASN 11 14.675 6.509 -0.324
87 H ALA 12 HN ALA 12 13.800 1.102 -2.459
88 HA ALA 12 HA ALA 12 13.908 -1.106 -2.914
89 HB1 ALA 12 HB1 ALA 12 15.746 -2.455 -2.088
90 HB2 ALA 12 HB2 ALA 12 16.153 -1.211 -0.907
91 HB3 ALA 12 HB3 ALA 12 16.327 -0.881 -2.631
92 H VAL 13 HN VAL 13 12.802 0.137 -0.145
93 HA VAL 13 HA VAL 13 12.091 -2.453 1.040
94 HB VAL 13 HB VAL 13 11.558 0.287 2.173
95 HG11 VAL 13 HG11 VAL 13 10.102 -1.450 3.045
96 HG12 VAL 13 HG12 VAL 13 11.238 -0.914 4.284
97 HG13 VAL 13 HG13 VAL 13 11.502 -2.443 3.445
98 HG21 VAL 13 HG21 VAL 13 13.834 -1.584 2.813
99 HG22 VAL 13 HG22 VAL 13 13.478 -0.070 3.643
100 HG23 VAL 13 HG23 VAL 13 13.967 -0.053 1.948
101 H ARG 14 HN ARG 14 10.153 -3.261 0.658
102 HA ARG 14 HA ARG 14 8.202 -1.723 -0.807
103 HB2 ARG 14 HB2 ARG 14 8.816 -4.113 -1.342
104 HB3 ARG 14 HB1 ARG 14 7.989 -4.581 0.139
105 HG2 ARG 14 HG2 ARG 14 5.923 -3.575 -0.730
106 HG3 ARG 14 HG1 ARG 14 6.781 -3.189 -2.221
107 HD2 ARG 14 HD2 ARG 14 5.528 -5.207 -2.562
108 HD3 ARG 14 HD1 ARG 14 7.244 -5.605 -2.521
109 HE ARG 14 HE ARG 14 5.799 -5.872 -0.014
110 HH11 ARG 14 HH11 ARG 14 7.061 -7.457 -2.870
111 HH12 ARG 14 HH12 ARG 14 6.997 -9.042 -2.173
112 HH21 ARG 14 HH21 ARG 14 5.709 -7.952 0.903
113 HH22 ARG 14 HH22 ARG 14 6.238 -9.324 -0.017
114 H VAL 15 HN VAL 15 7.126 -0.328 0.482
115 HA VAL 15 HA VAL 15 6.021 -1.342 3.001
116 HB VAL 15 HB VAL 15 5.477 1.008 3.529
117 HG11 VAL 15 HG11 VAL 15 7.780 1.757 3.911
118 HG12 VAL 15 HG12 VAL 15 8.359 0.525 2.792
119 HG13 VAL 15 HG13 VAL 15 7.574 0.047 4.295
120 HG21 VAL 15 HG21 VAL 15 6.890 1.613 0.934
121 HG22 VAL 15 HG22 VAL 15 6.487 2.810 2.164
122 HG23 VAL 15 HG23 VAL 15 5.202 1.942 1.328
123 H CYS 16 HN CYS 16 3.971 -1.939 3.103
124 HA CYS 16 HA CYS 16 2.216 -1.163 0.876
125 HB2 CYS 16 HB2 CYS 16 2.037 -3.570 2.697
126 HB3 CYS 16 HB1 CYS 16 0.960 -3.213 1.352
127 H HIS 17 HN HIS 17 0.642 0.195 1.291
128 HA HIS 17 HA HIS 17 -0.271 0.505 4.086
129 HB2 HIS 17 HB2 HIS 17 -0.929 2.546 2.008
130 HB3 HIS 17 HB1 HIS 17 -0.646 2.761 3.725
131 HD1 HIS 17 HD1 HIS 17 0.705 3.901 0.813
132 HD2 HIS 17 HD2 HIS 17 2.422 1.981 4.070
133 HE1 HIS 17 HE1 HIS 17 3.144 4.470 0.720
134 HE2 HIS 17 HE2 HIS 17 4.088 3.541 2.865
135 H ARG 18 HN ARG 18 -2.430 0.212 4.522
136 HA ARG 18 HA ARG 18 -4.037 -0.842 2.333
137 HB2 ARG 18 HB2 ARG 18 -3.981 -2.078 4.465
138 HB3 ARG 18 HB1 ARG 18 -4.642 -0.674 5.293
139 HG2 ARG 18 HG2 ARG 18 -6.670 -0.854 3.892
140 HG3 ARG 18 HG1 ARG 18 -6.006 -2.326 3.179
141 HD2 ARG 18 HD2 ARG 18 -5.929 -3.357 5.393
142 HD3 ARG 18 HD1 ARG 18 -6.597 -1.889 6.101
143 HE ARG 18 HE ARG 18 -8.209 -3.094 4.025
144 HH11 ARG 18 HH11 ARG 18 -7.521 -2.936 7.452
145 HH12 ARG 18 HH12 ARG 18 -9.080 -3.529 7.922
146 HH21 ARG 18 HH21 ARG 18 -10.283 -3.852 4.646
147 HH22 ARG 18 HH22 ARG 18 -10.654 -4.035 6.329
148 H ARG 19 HN ARG 19 -4.988 0.664 1.138
149 HA ARG 19 HA ARG 19 -6.280 2.916 2.534
150 HB2 ARG 19 HB2 ARG 19 -5.670 4.374 0.846
151 HB3 ARG 19 HB1 ARG 19 -4.284 3.295 0.855
152 HG2 ARG 19 HG2 ARG 19 -4.617 3.119 -1.335
153 HG3 ARG 19 HG1 ARG 19 -5.984 2.081 -0.928
154 HD2 ARG 19 HD2 ARG 19 -6.805 3.722 -2.430
155 HD3 ARG 19 HD1 ARG 19 -7.391 4.171 -0.827
156 HE ARG 19 HE ARG 19 -4.913 5.438 -1.546
157 HH11 ARG 19 HH11 ARG 19 -8.404 5.664 -1.688
158 HH12 ARG 19 HH12 ARG 19 -8.405 7.365 -2.036
159 HH21 ARG 19 HH21 ARG 19 -4.911 7.674 -1.991
160 HH22 ARG 19 HH22 ARG 19 -6.418 8.512 -2.185
161 H CYS 20 HN CYS 20 -8.225 3.738 1.428
162 HA CYS 20 HA CYS 20 -9.637 1.632 -0.063
163 HB2 CYS 20 HB2 CYS 20 -10.888 3.446 2.005
164 HB3 CYS 20 HB1 CYS 20 -11.660 2.103 1.170
165 H ASN 21 HN ASN 21 -11.504 2.535 -1.327
166 HA ASN 21 HA ASN 21 -10.680 5.071 -2.502
167 HB2 ASN 21 HB2 ASN 21 -12.424 4.515 -4.242
168 HB3 ASN 21 HB1 ASN 21 -11.081 3.388 -4.132
169 HD21 ASN 21 HD21 ASN 21 -12.442 1.902 -5.223
170 HD22 ASN 21 HD22 ASN 21 -13.656 1.020 -4.367