Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10158 | 1pb5 RC | 5817 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 HT1 GLU 1 37.974 -9.998 9.398
2 2H GLU 1 HT2 GLU 1 39.504 -9.317 9.021
3 3H GLU 1 HT3 GLU 1 38.883 -10.612 8.080
4 HA GLU 1 HA GLU 1 37.273 -9.319 7.121
5 1HB GLU 1 HB2 GLU 1 36.707 -7.092 7.928
6 2HB GLU 1 HB1 GLU 1 36.564 -8.259 9.234
7 1HG GLU 1 HG2 GLU 1 39.072 -7.478 9.663
8 2HG GLU 1 HG1 GLU 1 38.461 -6.020 8.883
9 H GLU 2 HN GLU 2 39.930 -9.854 6.496
10 HA GLU 2 HA GLU 2 41.405 -7.502 5.883
11 1HB GLU 2 HB2 GLU 2 41.602 -10.388 5.106
12 2HB GLU 2 HB1 GLU 2 42.570 -9.193 4.252
13 1HG GLU 2 HG2 GLU 2 44.084 -9.477 5.846
14 2HG GLU 2 HG1 GLU 2 42.996 -8.572 6.898
15 H ALA 3 HN ALA 3 39.954 -6.128 4.797
16 HA ALA 3 HA ALA 3 39.684 -6.740 1.958
17 1HB ALA 3 HB1 ALA 3 37.512 -7.257 2.381
18 2HB ALA 3 HB2 ALA 3 37.343 -5.506 2.262
19 3HB ALA 3 HB3 ALA 3 37.453 -6.276 3.845
20 H CYS 4 HN CYS 4 41.194 -4.905 3.883
21 HA CYS 4 HA CYS 4 42.080 -2.811 3.793
22 1HB CYS 4 HB2 CYS 4 42.269 -3.533 1.400
23 2HB CYS 4 HB1 CYS 4 40.767 -2.688 1.081
24 H GLU 5 HN GLU 5 41.517 -0.685 4.321
25 HA GLU 5 HA GLU 5 38.639 -0.107 4.307
26 1HB GLU 5 HB2 GLU 5 38.943 1.091 6.432
27 2HB GLU 5 HB1 GLU 5 39.376 -0.607 6.574
28 1HG GLU 5 HG2 GLU 5 41.784 0.244 6.092
29 2HG GLU 5 HG1 GLU 5 41.132 1.802 6.597
30 H LEU 6 HN LEU 6 41.065 0.656 2.582
31 HA LEU 6 HA LEU 6 40.385 3.504 2.465
32 1HB LEU 6 HB2 LEU 6 43.089 2.270 2.689
33 2HB LEU 6 HB1 LEU 6 42.895 3.728 1.734
34 HG LEU 6 HG LEU 6 41.642 4.484 4.009
35 1HD1 LEU 6 HD11 LEU 6 43.948 2.819 4.980
36 2HD1 LEU 6 HD12 LEU 6 42.278 2.254 5.014
37 3HD1 LEU 6 HD13 LEU 6 42.744 3.684 5.935
38 1HD2 LEU 6 HD21 LEU 6 43.163 6.026 3.417
39 2HD2 LEU 6 HD22 LEU 6 44.322 4.818 2.862
40 3HD2 LEU 6 HD23 LEU 6 44.200 5.200 4.580
41 HA PRO 7 HA PRO 7 39.678 1.938 -1.699
42 1HB PRO 7 HB2 PRO 7 38.458 4.597 -2.020
43 2HB PRO 7 HB1 PRO 7 37.734 3.003 -2.246
44 1HG PRO 7 HG2 PRO 7 37.078 4.591 -0.171
45 2HG PRO 7 HG1 PRO 7 37.113 2.823 -0.035
46 1HD PRO 7 HD2 PRO 7 39.123 4.836 0.896
47 2HD PRO 7 HD1 PRO 7 38.572 3.342 1.688
48 H GLU 8 HN GLU 8 41.384 4.552 -0.356
49 HA GLU 8 HA GLU 8 42.263 5.782 -2.786
50 1HB GLU 8 HB2 GLU 8 43.949 6.883 -1.315
51 2HB GLU 8 HB1 GLU 8 42.290 7.087 -0.774
52 1HG GLU 8 HG2 GLU 8 42.567 5.543 0.984
53 2HG GLU 8 HG1 GLU 8 44.094 4.956 0.325
54 H CYS 9 HN CYS 9 43.585 3.298 -0.626
55 HA CYS 9 HA CYS 9 46.140 3.076 -1.600
56 1HB CYS 9 HB2 CYS 9 44.372 0.734 -0.875
57 2HB CYS 9 HB1 CYS 9 46.134 0.809 -0.804
58 H GLN 10 HN GLN 10 43.175 2.206 -3.182
59 HA GLN 10 HA GLN 10 44.107 0.366 -5.060
60 1HB GLN 10 HB2 GLN 10 41.697 1.458 -4.532
61 2HB GLN 10 HB1 GLN 10 42.110 2.346 -5.992
62 1HG GLN 10 HG2 GLN 10 42.621 0.032 -6.994
63 2HG GLN 10 HG1 GLN 10 41.696 -0.593 -5.629
64 1HE2 GLN 10 HE21 GLN 10 41.527 1.692 -8.318
65 2HE2 GLN 10 HE22 GLN 10 39.829 1.525 -8.587
66 H GLU 11 HN GLU 11 44.404 3.846 -4.915
67 HA GLU 11 HA GLU 11 45.888 3.791 -7.466
68 1HB GLU 11 HB2 GLU 11 44.341 6.067 -6.211
69 2HB GLU 11 HB1 GLU 11 45.339 6.215 -7.651
70 1HG GLU 11 HG2 GLU 11 43.706 4.136 -8.314
71 2HG GLU 11 HG1 GLU 11 42.643 5.141 -7.329
72 H ASP 12 HN ASP 12 45.806 4.765 -4.141
73 HA ASP 12 HA ASP 12 48.151 6.335 -4.139
74 1HB ASP 12 HB2 ASP 12 46.087 5.425 -2.322
75 2HB ASP 12 HB1 ASP 12 47.652 5.427 -1.576
76 H ALA 13 HN ALA 13 47.550 2.943 -4.090
77 HA ALA 13 HA ALA 13 50.089 2.301 -2.831
78 1HB ALA 13 HB1 ALA 13 49.432 -0.013 -3.073
79 2HB ALA 13 HB2 ALA 13 48.072 0.449 -4.096
80 3HB ALA 13 HB3 ALA 13 48.094 0.915 -2.395
81 H GLY 14 HN GLY 14 51.934 1.841 -3.873
82 1HA GLY 14 HA2 GLY 14 53.360 1.250 -5.603
83 2HA GLY 14 HA1 GLY 14 51.954 0.885 -6.591
84 H ASN 15 HN ASN 15 52.752 3.957 -5.018
85 HA ASN 15 HA ASN 15 52.916 5.210 -7.654
86 1HB ASN 15 HB2 ASN 15 52.153 7.257 -6.459
87 2HB ASN 15 HB1 ASN 15 50.963 5.960 -6.446
88 1HD2 ASN 15 HD21 ASN 15 50.115 7.278 -4.669
89 2HD2 ASN 15 HD22 ASN 15 50.731 6.985 -3.075
90 H LYS 16 HN LYS 16 54.911 3.979 -5.657
91 HA LYS 16 HA LYS 16 57.052 4.282 -5.090
92 1HB LYS 16 HB2 LYS 16 57.182 6.909 -6.488
93 2HB LYS 16 HB1 LYS 16 58.380 5.615 -6.420
94 1HG LYS 16 HG2 LYS 16 55.872 5.738 -8.069
95 2HG LYS 16 HG1 LYS 16 57.540 5.652 -8.613
96 1HD LYS 16 HD2 LYS 16 57.447 3.403 -7.168
97 2HD LYS 16 HD1 LYS 16 55.751 3.513 -7.646
98 1HE LYS 16 HE2 LYS 16 56.208 3.172 -9.850
99 2HE LYS 16 HE1 LYS 16 57.788 3.948 -9.755
100 1HZ LYS 16 HZ1 LYS 16 58.553 1.953 -8.504
101 2HZ LYS 16 HZ2 LYS 16 58.130 1.642 -10.112
102 3HZ LYS 16 HZ3 LYS 16 57.075 1.211 -8.863
103 H VAL 17 HN VAL 17 54.688 5.876 -3.803
104 HA VAL 17 HA VAL 17 56.251 7.851 -2.318
105 HB VAL 17 HB VAL 17 53.309 7.402 -1.914
106 1HG1 VAL 17 HG11 VAL 17 54.492 10.098 -1.964
107 2HG1 VAL 17 HG12 VAL 17 55.067 9.045 -0.672
108 3HG1 VAL 17 HG13 VAL 17 53.344 9.382 -0.833
109 1HG2 VAL 17 HG21 VAL 17 52.704 8.719 -3.736
110 2HG2 VAL 17 HG22 VAL 17 53.962 7.679 -4.399
111 3HG2 VAL 17 HG23 VAL 17 54.339 9.342 -3.954
112 H CYS 18 HN CYS 18 54.124 7.382 -0.103
113 HA CYS 18 HA CYS 18 54.801 4.863 1.037
114 1HB CYS 18 HB2 CYS 18 56.863 6.092 1.518
115 2HB CYS 18 HB1 CYS 18 55.918 7.387 2.244
116 H SER 19 HN SER 19 52.862 4.352 1.690
117 HA SER 19 HA SER 19 51.405 6.184 3.470
118 1HB SER 19 HB2 SER 19 50.415 4.756 1.035
119 2HB SER 19 HB1 SER 19 49.326 4.885 2.416
120 HG SER 19 HG SER 19 49.793 7.194 2.344
121 H LEU 20 HN LEU 20 51.593 5.337 5.346
122 HA LEU 20 HA LEU 20 52.047 2.620 5.942
123 1HB LEU 20 HB2 LEU 20 51.074 4.942 7.585
124 2HB LEU 20 HB1 LEU 20 51.539 3.391 8.276
125 HG LEU 20 HG LEU 20 53.442 4.905 6.552
126 1HD1 LEU 20 HD11 LEU 20 53.457 5.320 9.507
127 2HD1 LEU 20 HD12 LEU 20 52.405 6.308 8.494
128 3HD1 LEU 20 HD13 LEU 20 54.148 6.318 8.227
129 1HD2 LEU 20 HD21 LEU 20 54.465 2.940 7.014
130 2HD2 LEU 20 HD22 LEU 20 53.537 2.678 8.490
131 3HD2 LEU 20 HD23 LEU 20 54.909 3.787 8.496
132 H GLN 21 HN GLN 21 49.208 4.640 5.861
133 HA GLN 21 HA GLN 21 47.418 2.753 7.000
134 1HB GLN 21 HB2 GLN 21 45.823 4.355 5.394
135 2HB GLN 21 HB1 GLN 21 46.187 4.613 7.089
136 1HG GLN 21 HG2 GLN 21 46.528 6.643 5.854
137 2HG GLN 21 HG1 GLN 21 48.074 6.047 6.453
138 1HE2 GLN 21 HE21 GLN 21 46.133 5.143 3.627
139 2HE2 GLN 21 HE22 GLN 21 47.369 5.482 2.456
140 H CYS 22 HN CYS 22 49.052 2.631 4.105
141 HA CYS 22 HA CYS 22 46.956 0.948 2.906
142 1HB CYS 22 HB2 CYS 22 48.988 2.773 1.634
143 2HB CYS 22 HB1 CYS 22 48.235 1.465 0.727
144 H ASN 23 HN ASN 23 50.130 1.170 4.153
145 HA ASN 23 HA ASN 23 51.301 -1.000 2.789
146 1HB ASN 23 HB2 ASN 23 52.274 1.084 4.024
147 2HB ASN 23 HB1 ASN 23 52.151 0.048 5.441
148 1HD2 ASN 23 HD21 ASN 23 54.450 0.961 4.835
149 2HD2 ASN 23 HD22 ASN 23 55.485 -0.261 4.173
150 H ASN 24 HN ASN 24 48.987 -2.081 3.552
151 HA ASN 24 HA ASN 24 49.736 -3.712 5.866
152 1HB ASN 24 HB2 ASN 24 47.042 -4.085 5.721
153 2HB ASN 24 HB1 ASN 24 47.864 -3.048 6.858
154 1HD2 ASN 24 HD21 ASN 24 48.449 -0.830 5.628
155 2HD2 ASN 24 HD22 ASN 24 47.060 -0.079 4.908
156 H HIS 25 HN HIS 25 48.296 -5.691 5.934
157 HA HIS 25 HA HIS 25 49.044 -7.259 3.647
158 1HB HIS 25 HB2 HIS 25 49.388 -8.044 5.917
159 2HB HIS 25 HB1 HIS 25 47.662 -7.913 6.248
160 HD1 HIS 25 HD1 HIS 25 47.858 -10.529 6.845
161 HD2 HIS 25 HD2 HIS 25 48.432 -9.502 2.868
162 HE1 HIS 25 HE1 HIS 25 47.622 -12.679 5.560
163 HE2 HIS 25 HE2 HIS 25 47.879 -12.018 3.141
164 H ALA 26 HN ALA 26 46.181 -5.868 5.041
165 HA ALA 26 HA ALA 26 44.415 -7.391 3.317
166 1HB ALA 26 HB1 ALA 26 42.807 -5.617 4.590
167 2HB ALA 26 HB2 ALA 26 44.133 -5.788 5.741
168 3HB ALA 26 HB3 ALA 26 43.244 -7.212 5.203
169 H CYS 27 HN CYS 27 46.128 -4.419 3.075
170 HA CYS 27 HA CYS 27 44.088 -3.394 1.216
171 1HB CYS 27 HB2 CYS 27 46.199 -2.095 2.860
172 2HB CYS 27 HB1 CYS 27 45.799 -1.358 1.312
173 H GLY 28 HN GLY 28 47.335 -4.599 1.464
174 1HA GLY 28 HA2 GLY 28 47.993 -5.677 -0.732
175 2HA GLY 28 HA1 GLY 28 47.682 -4.094 -1.432
176 H TRP 29 HN TRP 29 48.925 -3.632 1.619
177 HA TRP 29 HA TRP 29 50.890 -3.068 2.452
178 1HB TRP 29 HB2 TRP 29 51.905 -4.811 0.201
179 2HB TRP 29 HB1 TRP 29 52.965 -4.070 1.394
180 HD1 TRP 29 HD1 TRP 29 51.388 -7.249 0.841
181 HE1 TRP 29 HE1 TRP 29 51.087 -8.491 3.083
182 HE3 TRP 29 HE3 TRP 29 52.051 -3.405 4.036
183 HZ2 TRP 29 HZ2 TRP 29 51.141 -7.922 5.763
184 HZ3 TRP 29 HZ3 TRP 29 51.860 -3.774 6.423
185 HH2 TRP 29 HH2 TRP 29 51.425 -6.034 7.303
186 H ASP 30 HN ASP 30 49.543 -1.313 0.790
187 HA ASP 30 HA ASP 30 49.743 0.561 -0.488
188 1HB ASP 30 HB2 ASP 30 50.814 1.223 1.626
189 2HB ASP 30 HB1 ASP 30 52.363 0.681 1.017
190 H GLY 31 HN GLY 31 50.750 -1.917 -1.698
191 1HA GLY 31 HA2 GLY 31 51.720 -2.547 -3.672
192 2HA GLY 31 HA1 GLY 31 51.801 -0.841 -4.072
193 H GLY 32 HN GLY 32 53.458 -1.329 -1.198
194 1HA GLY 32 HA2 GLY 32 55.702 -1.852 -0.744
195 2HA GLY 32 HA1 GLY 32 55.963 -2.117 -2.466
196 H ASP 33 HN ASP 33 54.359 0.666 -1.158
197 HA ASP 33 HA ASP 33 56.298 2.419 -2.404
198 1HB ASP 33 HB2 ASP 33 53.576 2.716 -1.215
199 2HB ASP 33 HB1 ASP 33 54.581 4.139 -1.422
200 H CYS 34 HN CYS 34 54.908 1.885 0.820
201 HA CYS 34 HA CYS 34 56.705 3.755 2.055
202 1HB CYS 34 HB2 CYS 34 54.515 1.990 2.931
203 2HB CYS 34 HB1 CYS 34 55.810 2.153 4.106
204 H SER 35 HN SER 35 56.244 0.242 2.408
205 HA SER 35 HA SER 35 58.921 -0.481 2.013
206 1HB SER 35 HB2 SER 35 59.530 0.629 4.028
207 2HB SER 35 HB1 SER 35 58.134 -0.017 4.891
208 HG SER 35 HG SER 35 60.425 -1.422 3.992
Start of MODEL 2
1 1H GLU 1 1H GLU 1 37.940 -10.282 7.457
2 2H GLU 1 2H GLU 1 37.116 -9.127 6.491
3 3H GLU 1 3H GLU 1 36.404 -9.696 7.945
4 HA GLU 1 HA GLU 1 37.200 -7.645 8.491
5 1HB GLU 1 1HB GLU 1 38.042 -9.840 9.758
6 2HB GLU 1 2HB GLU 1 39.610 -9.225 9.254
7 1HG GLU 1 1HG GLU 1 39.243 -8.388 11.417
8 2HG GLU 1 2HG GLU 1 38.964 -7.037 10.320
9 H GLU 2 H GLU 2 39.983 -9.405 7.107
10 HA GLU 2 HA GLU 2 41.364 -6.965 6.495
11 1HB GLU 2 1HB GLU 2 42.971 -8.523 5.325
12 2HB GLU 2 2HB GLU 2 42.725 -8.836 7.038
13 1HG GLU 2 1HG GLU 2 40.918 -10.317 5.280
14 2HG GLU 2 2HG GLU 2 42.624 -10.704 5.065
15 H ALA 3 H ALA 3 39.929 -5.846 5.129
16 HA ALA 3 HA ALA 3 40.027 -6.756 2.356
17 1HB ALA 3 1HB ALA 3 37.758 -7.204 3.656
18 2HB ALA 3 2HB ALA 3 37.783 -6.709 1.964
19 3HB ALA 3 3HB ALA 3 37.478 -5.516 3.227
20 H CYS 4 H CYS 4 41.164 -4.599 4.220
21 HA CYS 4 HA CYS 4 41.878 -2.452 4.001
22 1HB CYS 4 1HB CYS 4 42.419 -3.408 1.739
23 2HB CYS 4 2HB CYS 4 40.925 -2.704 1.153
24 H GLU 5 H GLU 5 41.051 -0.462 4.449
25 HA GLU 5 HA GLU 5 38.222 -0.012 3.799
26 1HB GLU 5 1HB GLU 5 37.966 1.172 5.907
27 2HB GLU 5 2HB GLU 5 38.551 -0.460 6.202
28 1HG GLU 5 1HG GLU 5 40.722 0.297 6.701
29 2HG GLU 5 2HG GLU 5 40.395 1.901 6.047
30 H LEU 6 H LEU 6 40.933 0.810 2.607
31 HA LEU 6 HA LEU 6 40.367 3.700 2.518
32 1HB LEU 6 1HB LEU 6 42.937 2.186 2.592
33 2HB LEU 6 2HB LEU 6 42.873 3.726 1.753
34 HG LEU 6 HG LEU 6 41.854 4.602 3.994
35 1HD1 LEU 6 1HD1 LEU 6 43.547 2.515 5.250
36 2HD1 LEU 6 2HD1 LEU 6 41.909 2.073 4.771
37 3HD1 LEU 6 3HD1 LEU 6 42.169 3.401 5.900
38 1HD2 LEU 6 1HD2 LEU 6 43.867 5.539 3.347
39 2HD2 LEU 6 2HD2 LEU 6 44.714 3.991 3.368
40 3HD2 LEU 6 3HD2 LEU 6 44.281 4.782 4.885
41 HA PRO 7 HA PRO 7 39.467 2.517 -1.727
42 1HB PRO 7 1HB PRO 7 38.567 5.305 -1.908
43 2HB PRO 7 2HB PRO 7 37.648 3.819 -2.159
44 1HG PRO 7 1HG PRO 7 37.256 5.414 -0.017
45 2HG PRO 7 2HG PRO 7 37.051 3.655 0.055
46 1HD PRO 7 1HD PRO 7 39.339 5.337 1.002
47 2HD PRO 7 2HD PRO 7 38.600 3.906 1.758
48 H GLU 8 H GLU 8 41.532 4.790 -0.289
49 HA GLU 8 HA GLU 8 42.509 5.977 -2.733
50 1HB GLU 8 1HB GLU 8 44.235 6.980 -1.251
51 2HB GLU 8 2HB GLU 8 42.587 7.306 -0.730
52 1HG GLU 8 1HG GLU 8 42.743 5.696 1.019
53 2HG GLU 8 2HG GLU 8 44.293 5.112 0.416
54 H CYS 9 H CYS 9 43.599 3.455 -0.485
55 HA CYS 9 HA CYS 9 46.139 3.038 -1.515
56 1HB CYS 9 1HB CYS 9 44.290 0.894 -0.459
57 2HB CYS 9 2HB CYS 9 46.053 0.865 -0.485
58 H GLN 10 H GLN 10 43.079 2.306 -2.923
59 HA GLN 10 HA GLN 10 43.816 0.192 -4.620
60 1HB GLN 10 1HB GLN 10 41.498 1.568 -4.107
61 2HB GLN 10 2HB GLN 10 41.877 2.093 -5.742
62 1HG GLN 10 1HG GLN 10 42.266 -0.590 -5.932
63 2HG GLN 10 2HG GLN 10 40.953 -0.502 -4.758
64 1HE2 GLN 10 1HE2 GLN 10 41.852 1.225 -7.731
65 2HE2 GLN 10 2HE2 GLN 10 40.302 1.088 -8.481
66 H GLU 11 H GLU 11 44.313 3.642 -4.817
67 HA GLU 11 HA GLU 11 45.615 3.274 -7.440
68 1HB GLU 11 1HB GLU 11 45.230 5.716 -7.779
69 2HB GLU 11 2HB GLU 11 43.747 4.776 -7.674
70 1HG GLU 11 1HG GLU 11 44.794 5.999 -5.184
71 2HG GLU 11 2HG GLU 11 44.063 7.060 -6.388
72 H ASP 12 H ASP 12 45.824 4.545 -4.217
73 HA ASP 12 HA ASP 12 48.265 5.926 -4.488
74 1HB ASP 12 1HB ASP 12 46.325 5.238 -2.428
75 2HB ASP 12 2HB ASP 12 47.957 5.264 -1.839
76 H ALA 13 H ALA 13 47.484 2.598 -4.224
77 HA ALA 13 HA ALA 13 49.970 1.806 -2.990
78 1HB ALA 13 1HB ALA 13 47.866 0.138 -4.365
79 2HB ALA 13 2HB ALA 13 47.945 0.485 -2.639
80 3HB ALA 13 3HB ALA 13 49.209 -0.479 -3.403
81 H GLY 14 H GLY 14 51.821 1.208 -3.985
82 1HA GLY 14 1HA GLY 14 53.307 0.715 -5.682
83 2HA GLY 14 2HA GLY 14 51.929 0.305 -6.689
84 H ASN 15 H ASN 15 52.769 3.408 -5.164
85 HA ASN 15 HA ASN 15 52.848 4.611 -7.830
86 1HB ASN 15 1HB ASN 15 52.161 6.703 -6.629
87 2HB ASN 15 2HB ASN 15 50.952 5.425 -6.613
88 1HD2 ASN 15 1HD2 ASN 15 50.289 6.985 -4.837
89 2HD2 ASN 15 2HD2 ASN 15 50.843 6.585 -3.247
90 H LYS 16 H LYS 16 54.910 3.450 -5.798
91 HA LYS 16 HA LYS 16 57.077 3.786 -5.324
92 1HB LYS 16 1HB LYS 16 57.154 6.308 -6.911
93 2HB LYS 16 2HB LYS 16 58.362 5.030 -6.782
94 1HG LYS 16 1HG LYS 16 55.819 5.034 -8.378
95 2HG LYS 16 2HG LYS 16 57.475 4.889 -8.949
96 1HD LYS 16 1HD LYS 16 57.343 2.763 -7.287
97 2HD LYS 16 2HD LYS 16 55.670 2.848 -7.846
98 1HE LYS 16 1HE LYS 16 57.053 3.185 -10.173
99 2HE LYS 16 2HE LYS 16 58.111 2.088 -9.286
100 1HZ LYS 16 1HZ LYS 16 56.573 0.431 -9.315
101 2HZ LYS 16 2HZ LYS 16 56.147 1.201 -10.759
102 3HZ LYS 16 3HZ LYS 16 55.248 1.482 -9.354
103 H VAL 17 H VAL 17 54.756 5.492 -4.077
104 HA VAL 17 HA VAL 17 56.389 7.552 -2.789
105 HB VAL 17 HB VAL 17 53.477 7.184 -2.183
106 1HG1 VAL 17 1HG1 VAL 17 53.582 9.302 -1.395
107 2HG1 VAL 17 2HG1 VAL 17 54.692 9.832 -2.659
108 3HG1 VAL 17 3HG1 VAL 17 55.303 8.938 -1.268
109 1HG2 VAL 17 1HG2 VAL 17 52.732 8.282 -4.103
110 2HG2 VAL 17 2HG2 VAL 17 53.918 7.137 -4.726
111 3HG2 VAL 17 3HG2 VAL 17 54.350 8.834 -4.532
112 H CYS 18 H CYS 18 54.378 7.297 -0.443
113 HA CYS 18 HA CYS 18 55.006 4.806 0.782
114 1HB CYS 18 1HB CYS 18 57.149 5.975 1.073
115 2HB CYS 18 2HB CYS 18 56.304 7.307 1.852
116 H SER 19 H SER 19 53.034 4.446 1.472
117 HA SER 19 HA SER 19 51.799 6.388 3.305
118 1HB SER 19 1HB SER 19 50.641 5.078 0.901
119 2HB SER 19 2HB SER 19 49.612 5.123 2.332
120 HG SER 19 HG SER 19 50.629 7.236 0.797
121 H LEU 20 H LEU 20 51.997 5.546 5.199
122 HA LEU 20 HA LEU 20 52.320 2.810 5.792
123 1HB LEU 20 1HB LEU 20 51.533 5.172 7.482
124 2HB LEU 20 2HB LEU 20 51.950 3.596 8.142
125 HG LEU 20 HG LEU 20 53.858 5.041 6.358
126 1HD1 LEU 20 1HD1 LEU 20 53.737 5.435 9.341
127 2HD1 LEU 20 2HD1 LEU 20 53.104 6.594 8.172
128 3HD1 LEU 20 3HD1 LEU 20 54.825 6.214 8.192
129 1HD2 LEU 20 1HD2 LEU 20 55.391 3.551 7.095
130 2HD2 LEU 20 2HD2 LEU 20 53.955 2.577 7.414
131 3HD2 LEU 20 3HD2 LEU 20 54.711 3.490 8.721
132 H GLN 21 H GLN 21 49.577 4.960 5.748
133 HA GLN 21 HA GLN 21 47.736 3.214 7.011
134 1HB GLN 21 1HB GLN 21 46.220 4.825 5.287
135 2HB GLN 21 2HB GLN 21 46.514 5.076 6.997
136 1HG GLN 21 1HG GLN 21 47.011 7.092 5.838
137 2HG GLN 21 2HG GLN 21 48.526 6.398 6.406
138 1HE2 GLN 21 1HE2 GLN 21 46.510 5.683 3.577
139 2HE2 GLN 21 2HE2 GLN 21 47.752 5.977 2.404
140 H CYS 22 H CYS 22 49.264 2.919 4.050
141 HA CYS 22 HA CYS 22 47.080 1.239 3.012
142 1HB CYS 22 1HB CYS 22 49.142 2.913 1.588
143 2HB CYS 22 2HB CYS 22 48.302 1.600 0.773
144 H ASN 23 H ASN 23 50.300 1.415 4.133
145 HA ASN 23 HA ASN 23 51.341 -0.872 2.853
146 1HB ASN 23 1HB ASN 23 52.447 1.237 3.924
147 2HB ASN 23 2HB ASN 23 52.353 0.286 5.401
148 1HD2 ASN 23 1HD2 ASN 23 54.673 1.043 4.657
149 2HD2 ASN 23 2HD2 ASN 23 55.610 -0.251 3.993
150 H ASN 24 H ASN 24 49.038 -1.842 3.758
151 HA ASN 24 HA ASN 24 49.806 -3.340 6.158
152 1HB ASN 24 1HB ASN 24 47.114 -3.709 6.061
153 2HB ASN 24 2HB ASN 24 47.939 -2.577 7.101
154 1HD2 ASN 24 1HD2 ASN 24 48.502 -0.460 5.731
155 2HD2 ASN 24 2HD2 ASN 24 47.121 0.223 4.936
156 H HIS 25 H HIS 25 48.299 -5.315 6.331
157 HA HIS 25 HA HIS 25 49.052 -7.001 4.120
158 1HB HIS 25 1HB HIS 25 49.428 -7.723 6.395
159 2HB HIS 25 2HB HIS 25 47.720 -7.521 6.777
160 HD1 HIS 25 HD1 HIS 25 47.776 -10.100 7.472
161 HD2 HIS 25 HD2 HIS 25 48.407 -9.293 3.451
162 HE1 HIS 25 HE1 HIS 25 47.451 -12.298 6.291
163 HE2 HIS 25 HE2 HIS 25 47.936 -11.806 3.867
164 H ALA 26 H ALA 26 46.203 -5.513 5.439
165 HA ALA 26 HA ALA 26 44.415 -7.145 3.846
166 1HB ALA 26 1HB ALA 26 43.561 -6.732 5.966
167 2HB ALA 26 2HB ALA 26 42.670 -5.624 4.919
168 3HB ALA 26 3HB ALA 26 43.998 -5.024 5.914
169 H CYS 27 H CYS 27 46.104 -4.156 3.430
170 HA CYS 27 HA CYS 27 44.103 -3.294 1.458
171 1HB CYS 27 1HB CYS 27 46.239 -1.874 2.977
172 2HB CYS 27 2HB CYS 27 45.787 -1.254 1.392
173 H GLY 28 H GLY 28 47.330 -4.514 1.809
174 1HA GLY 28 1HA GLY 28 47.996 -5.766 -0.277
175 2HA GLY 28 2HA GLY 28 47.683 -4.255 -1.117
176 H TRP 29 H TRP 29 48.949 -3.537 1.886
177 HA TRP 29 HA TRP 29 50.934 -2.913 2.651
178 1HB TRP 29 1HB TRP 29 51.936 -4.788 0.498
179 2HB TRP 29 2HB TRP 29 52.996 -3.979 1.646
180 HD1 TRP 29 HD1 TRP 29 51.393 -7.188 1.264
181 HE1 TRP 29 HE1 TRP 29 51.102 -8.323 3.563
182 HE3 TRP 29 HE3 TRP 29 52.150 -3.202 4.271
183 HZ2 TRP 29 HZ2 TRP 29 51.194 -7.628 6.232
184 HZ3 TRP 29 HZ3 TRP 29 51.988 -3.465 6.680
185 HH2 TRP 29 HH2 TRP 29 51.533 -5.669 7.671
186 H ASP 30 H ASP 30 49.556 -1.253 0.979
187 HA ASP 30 HA ASP 30 49.690 0.545 -0.405
188 1HB ASP 30 1HB ASP 30 50.930 1.301 1.585
189 2HB ASP 30 2HB ASP 30 52.419 0.710 0.884
190 H GLY 31 H GLY 31 50.599 -2.026 -1.532
191 1HA GLY 31 1HA GLY 31 51.387 -2.754 -3.554
192 2HA GLY 31 2HA GLY 31 51.517 -1.069 -4.025
193 H GLY 32 H GLY 32 53.332 -1.319 -1.284
194 1HA GLY 32 1HA GLY 32 55.567 -2.015 -0.919
195 2HA GLY 32 2HA GLY 32 55.723 -2.326 -2.646
196 H ASP 33 H ASP 33 54.305 0.569 -1.339
197 HA ASP 33 HA ASP 33 56.269 2.181 -2.716
198 1HB ASP 33 1HB ASP 33 53.829 2.984 -1.129
199 2HB ASP 33 2HB ASP 33 54.777 4.025 -2.176
200 H CYS 34 H CYS 34 55.028 1.761 0.582
201 HA CYS 34 HA CYS 34 56.972 3.583 1.677
202 1HB CYS 34 1HB CYS 34 54.745 1.949 2.714
203 2HB CYS 34 2HB CYS 34 56.102 2.101 3.819
204 H SER 35 H SER 35 56.360 0.107 2.180
205 HA SER 35 HA SER 35 57.741 -1.653 2.602
206 1HB SER 35 1HB SER 35 58.752 -1.177 0.461
207 2HB SER 35 2HB SER 35 59.724 0.119 1.158
208 HG SER 35 HG SER 35 60.649 -2.141 0.828
Start of MODEL 3
1 1H GLU 1 1H GLU 1 37.857 -10.139 9.554
2 2H GLU 1 2H GLU 1 39.472 -9.797 9.080
3 3H GLU 1 3H GLU 1 38.339 -10.368 7.925
4 HA GLU 1 HA GLU 1 37.169 -8.418 7.905
5 1HB GLU 1 1HB GLU 1 37.645 -8.379 10.567
6 2HB GLU 1 2HB GLU 1 38.743 -7.109 10.046
7 1HG GLU 1 1HG GLU 1 36.863 -5.890 10.450
8 2HG GLU 1 2HG GLU 1 36.638 -6.256 8.741
9 H GLU 2 H GLU 2 39.641 -9.416 6.751
10 HA GLU 2 HA GLU 2 41.232 -6.978 6.417
11 1HB GLU 2 1HB GLU 2 41.732 -9.878 5.792
12 2HB GLU 2 2HB GLU 2 42.725 -8.611 5.084
13 1HG GLU 2 1HG GLU 2 43.940 -9.224 6.940
14 2HG GLU 2 2HG GLU 2 43.044 -7.820 7.519
15 H ALA 3 H ALA 3 39.822 -5.801 5.095
16 HA ALA 3 HA ALA 3 39.813 -6.677 2.310
17 1HB ALA 3 1HB ALA 3 37.578 -7.119 3.614
18 2HB ALA 3 2HB ALA 3 37.551 -6.482 1.969
19 3HB ALA 3 3HB ALA 3 37.331 -5.395 3.340
20 H CYS 4 H CYS 4 41.081 -4.587 4.159
21 HA CYS 4 HA CYS 4 41.865 -2.463 3.933
22 1HB CYS 4 1HB CYS 4 42.249 -3.390 1.625
23 2HB CYS 4 2HB CYS 4 40.751 -2.623 1.137
24 H GLU 5 H GLU 5 41.143 -0.409 4.376
25 HA GLU 5 HA GLU 5 38.277 0.083 3.975
26 1HB GLU 5 1HB GLU 5 38.310 1.390 6.074
27 2HB GLU 5 2HB GLU 5 38.700 -0.305 6.329
28 1HG GLU 5 1HG GLU 5 41.045 1.356 5.859
29 2HG GLU 5 2HG GLU 5 40.118 1.833 7.281
30 H LEU 6 H LEU 6 40.919 0.858 2.564
31 HA LEU 6 HA LEU 6 40.259 3.718 2.359
32 1HB LEU 6 1HB LEU 6 42.930 2.379 2.541
33 2HB LEU 6 2HB LEU 6 42.759 3.922 1.724
34 HG LEU 6 HG LEU 6 41.590 3.800 4.430
35 1HD1 LEU 6 1HD1 LEU 6 43.407 2.670 5.209
36 2HD1 LEU 6 2HD1 LEU 6 44.054 4.310 5.234
37 3HD1 LEU 6 3HD1 LEU 6 44.454 3.225 3.903
38 1HD2 LEU 6 1HD2 LEU 6 43.564 5.802 3.429
39 2HD2 LEU 6 2HD2 LEU 6 42.185 6.023 4.506
40 3HD2 LEU 6 3HD2 LEU 6 41.926 5.791 2.777
41 HA PRO 7 HA PRO 7 39.609 2.237 -1.841
42 1HB PRO 7 1HB PRO 7 38.550 4.950 -2.218
43 2HB PRO 7 2HB PRO 7 37.735 3.398 -2.420
44 1HG PRO 7 1HG PRO 7 37.155 5.081 -0.390
45 2HG PRO 7 2HG PRO 7 37.053 3.318 -0.226
46 1HD PRO 7 1HD PRO 7 39.192 5.190 0.714
47 2HD PRO 7 2HD PRO 7 38.511 3.757 1.520
48 H GLU 8 H GLU 8 41.446 4.732 -0.457
49 HA GLU 8 HA GLU 8 42.445 5.905 -2.876
50 1HB GLU 8 1HB GLU 8 44.168 6.901 -1.341
51 2HB GLU 8 2HB GLU 8 42.500 7.254 -0.914
52 1HG GLU 8 1HG GLU 8 42.536 5.713 0.881
53 2HG GLU 8 2HG GLU 8 44.071 5.030 0.349
54 H CYS 9 H CYS 9 43.588 3.392 -0.646
55 HA CYS 9 HA CYS 9 46.153 3.051 -1.610
56 1HB CYS 9 1HB CYS 9 44.325 0.809 -0.738
57 2HB CYS 9 2HB CYS 9 46.087 0.838 -0.682
58 H GLN 10 H GLN 10 43.158 2.274 -3.150
59 HA GLN 10 HA GLN 10 43.992 0.270 -4.914
60 1HB GLN 10 1HB GLN 10 41.624 1.170 -4.483
61 2HB GLN 10 2HB GLN 10 42.019 2.421 -5.655
62 1HG GLN 10 1HG GLN 10 42.735 0.030 -6.888
63 2HG GLN 10 2HG GLN 10 41.206 -0.309 -6.078
64 1HE2 GLN 10 1HE2 GLN 10 39.607 -0.136 -7.466
65 2HE2 GLN 10 2HE2 GLN 10 39.418 1.100 -8.658
66 H GLU 11 H GLU 11 44.443 3.737 -4.967
67 HA GLU 11 HA GLU 11 45.915 3.472 -7.511
68 1HB GLU 11 1HB GLU 11 44.033 5.512 -6.521
69 2HB GLU 11 2HB GLU 11 45.495 6.160 -7.251
70 1HG GLU 11 1HG GLU 11 43.999 4.036 -8.696
71 2HG GLU 11 2HG GLU 11 43.352 5.676 -8.680
72 H ASP 12 H ASP 12 45.895 4.639 -4.244
73 HA ASP 12 HA ASP 12 48.324 6.073 -4.325
74 1HB ASP 12 1HB ASP 12 46.262 5.316 -2.417
75 2HB ASP 12 2HB ASP 12 47.849 5.350 -1.717
76 H ALA 13 H ALA 13 47.645 2.748 -4.346
77 HA ALA 13 HA ALA 13 50.082 1.992 -2.945
78 1HB ALA 13 1HB ALA 13 49.350 -0.323 -3.396
79 2HB ALA 13 2HB ALA 13 47.965 0.312 -4.285
80 3HB ALA 13 3HB ALA 13 48.124 0.627 -2.557
81 H GLY 14 H GLY 14 51.900 1.152 -3.899
82 1HA GLY 14 1HA GLY 14 53.434 0.726 -5.566
83 2HA GLY 14 2HA GLY 14 52.070 0.293 -6.583
84 H ASN 15 H ASN 15 53.004 3.396 -5.103
85 HA ASN 15 HA ASN 15 53.065 4.567 -7.788
86 1HB ASN 15 1HB ASN 15 52.345 6.668 -6.633
87 2HB ASN 15 2HB ASN 15 51.149 5.377 -6.601
88 1HD2 ASN 15 1HD2 ASN 15 50.385 6.865 -4.854
89 2HD2 ASN 15 2HD2 ASN 15 50.963 6.540 -3.253
90 H LYS 16 H LYS 16 55.134 3.435 -5.783
91 HA LYS 16 HA LYS 16 57.294 3.803 -5.293
92 1HB LYS 16 1HB LYS 16 57.337 6.351 -6.838
93 2HB LYS 16 2HB LYS 16 58.562 5.090 -6.727
94 1HG LYS 16 1HG LYS 16 56.026 5.083 -8.332
95 2HG LYS 16 2HG LYS 16 57.687 4.970 -8.899
96 1HD LYS 16 1HD LYS 16 57.520 2.822 -7.223
97 2HD LYS 16 2HD LYS 16 55.893 2.884 -7.907
98 1HE LYS 16 1HE LYS 16 56.659 1.910 -9.750
99 2HE LYS 16 2HE LYS 16 57.699 3.305 -10.036
100 1HZ LYS 16 1HZ LYS 16 59.284 2.161 -8.420
101 2HZ LYS 16 2HZ LYS 16 59.147 1.508 -9.974
102 3HZ LYS 16 3HZ LYS 16 58.356 0.769 -8.675
103 H VAL 17 H VAL 17 54.925 5.467 -4.048
104 HA VAL 17 HA VAL 17 56.536 7.501 -2.688
105 HB VAL 17 HB VAL 17 53.606 7.156 -2.170
106 1HG1 VAL 17 1HG1 VAL 17 55.423 8.875 -1.180
107 2HG1 VAL 17 2HG1 VAL 17 53.712 9.263 -1.352
108 3HG1 VAL 17 3HG1 VAL 17 54.865 9.796 -2.576
109 1HG2 VAL 17 1HG2 VAL 17 52.935 8.319 -4.089
110 2HG2 VAL 17 2HG2 VAL 17 54.087 7.130 -4.692
111 3HG2 VAL 17 3HG2 VAL 17 54.582 8.808 -4.480
112 H CYS 18 H CYS 18 54.467 7.236 -0.403
113 HA CYS 18 HA CYS 18 55.066 4.716 0.802
114 1HB CYS 18 1HB CYS 18 57.168 5.899 1.217
115 2HB CYS 18 2HB CYS 18 56.274 7.236 1.930
116 H SER 19 H SER 19 53.065 4.311 1.392
117 HA SER 19 HA SER 19 51.682 6.247 3.129
118 1HB SER 19 1HB SER 19 50.720 4.825 0.721
119 2HB SER 19 2HB SER 19 49.629 4.766 2.106
120 HG SER 19 HG SER 19 49.956 7.126 2.185
121 H LEU 20 H LEU 20 51.839 5.507 5.068
122 HA LEU 20 HA LEU 20 52.247 2.803 5.785
123 1HB LEU 20 1HB LEU 20 51.405 5.227 7.353
124 2HB LEU 20 2HB LEU 20 51.839 3.691 8.093
125 HG LEU 20 HG LEU 20 53.744 5.069 6.257
126 1HD1 LEU 20 1HD1 LEU 20 54.660 5.879 8.644
127 2HD1 LEU 20 2HD1 LEU 20 52.926 5.944 8.953
128 3HD1 LEU 20 3HD1 LEU 20 53.619 6.867 7.620
129 1HD2 LEU 20 1HD2 LEU 20 54.203 2.771 6.985
130 2HD2 LEU 20 2HD2 LEU 20 54.137 3.297 8.666
131 3HD2 LEU 20 3HD2 LEU 20 55.405 3.906 7.600
132 H GLN 21 H GLN 21 49.451 4.928 5.782
133 HA GLN 21 HA GLN 21 47.673 3.130 7.047
134 1HB GLN 21 1HB GLN 21 46.024 4.701 6.686
135 2HB GLN 21 2HB GLN 21 47.468 5.698 6.625
136 1HG GLN 21 1HG GLN 21 45.954 4.641 4.248
137 2HG GLN 21 2HG GLN 21 45.890 6.289 4.871
138 1HE2 GLN 21 1HE2 GLN 21 46.545 5.781 2.267
139 2HE2 GLN 21 2HE2 GLN 21 48.216 6.155 2.001
140 H CYS 22 H CYS 22 49.138 2.904 4.049
141 HA CYS 22 HA CYS 22 46.944 1.240 3.004
142 1HB CYS 22 1HB CYS 22 48.996 2.948 1.621
143 2HB CYS 22 2HB CYS 22 48.248 1.598 0.780
144 H ASN 23 H ASN 23 50.176 1.401 4.106
145 HA ASN 23 HA ASN 23 51.199 -0.894 2.837
146 1HB ASN 23 1HB ASN 23 52.320 1.197 3.928
147 2HB ASN 23 2HB ASN 23 52.208 0.238 5.398
148 1HD2 ASN 23 1HD2 ASN 23 54.540 0.974 4.678
149 2HD2 ASN 23 2HD2 ASN 23 55.469 -0.323 4.007
150 H ASN 24 H ASN 24 48.892 -1.863 3.714
151 HA ASN 24 HA ASN 24 49.637 -3.379 6.108
152 1HB ASN 24 1HB ASN 24 46.944 -3.741 5.993
153 2HB ASN 24 2HB ASN 24 47.767 -2.623 7.049
154 1HD2 ASN 24 1HD2 ASN 24 48.348 -0.494 5.683
155 2HD2 ASN 24 2HD2 ASN 24 46.968 0.199 4.898
156 H HIS 25 H HIS 25 48.126 -5.356 6.252
157 HA HIS 25 HA HIS 25 48.902 -7.019 4.034
158 1HB HIS 25 1HB HIS 25 49.247 -7.767 6.304
159 2HB HIS 25 2HB HIS 25 47.536 -7.564 6.668
160 HD1 HIS 25 HD1 HIS 25 47.557 -10.142 7.338
161 HD2 HIS 25 HD2 HIS 25 48.272 -9.314 3.335
162 HE1 HIS 25 HE1 HIS 25 47.245 -12.332 6.138
163 HE2 HIS 25 HE2 HIS 25 47.590 -11.786 3.701
164 H ALA 26 H ALA 26 46.025 -5.565 5.344
165 HA ALA 26 HA ALA 26 44.270 -7.169 3.684
166 1HB ALA 26 1HB ALA 26 42.479 -5.786 4.771
167 2HB ALA 26 2HB ALA 26 43.754 -5.042 5.736
168 3HB ALA 26 3HB ALA 26 43.454 -6.776 5.858
169 H CYS 27 H CYS 27 45.972 -4.195 3.336
170 HA CYS 27 HA CYS 27 43.983 -3.266 1.380
171 1HB CYS 27 1HB CYS 27 46.108 -1.905 2.959
172 2HB CYS 27 2HB CYS 27 45.712 -1.249 1.375
173 H GLY 28 H GLY 28 47.210 -4.495 1.724
174 1HA GLY 28 1HA GLY 28 47.887 -5.708 -0.387
175 2HA GLY 28 2HA GLY 28 47.582 -4.177 -1.195
176 H TRP 29 H TRP 29 48.822 -3.535 1.835
177 HA TRP 29 HA TRP 29 50.799 -2.924 2.632
178 1HB TRP 29 1HB TRP 29 51.813 -4.773 0.464
179 2HB TRP 29 2HB TRP 29 52.869 -3.980 1.628
180 HD1 TRP 29 HD1 TRP 29 51.268 -7.180 1.202
181 HE1 TRP 29 HE1 TRP 29 50.953 -8.338 3.487
182 HE3 TRP 29 HE3 TRP 29 51.996 -3.225 4.254
183 HZ2 TRP 29 HZ2 TRP 29 51.017 -7.667 6.166
184 HZ3 TRP 29 HZ3 TRP 29 51.808 -3.508 6.659
185 HH2 TRP 29 HH2 TRP 29 51.342 -5.722 7.624
186 H ASP 30 H ASP 30 49.465 -1.202 0.994
187 HA ASP 30 HA ASP 30 49.645 0.637 -0.335
188 1HB ASP 30 1HB ASP 30 50.903 1.367 1.626
189 2HB ASP 30 2HB ASP 30 52.365 0.654 0.985
190 H GLY 31 H GLY 31 50.577 -1.982 -1.491
191 1HA GLY 31 1HA GLY 31 51.291 -2.625 -3.580
192 2HA GLY 31 2HA GLY 31 51.507 -0.928 -3.969
193 H GLY 32 H GLY 32 53.297 -1.072 -1.325
194 1HA GLY 32 1HA GLY 32 55.476 -1.982 -0.899
195 2HA GLY 32 2HA GLY 32 55.647 -2.265 -2.626
196 H ASP 33 H ASP 33 54.355 0.710 -1.331
197 HA ASP 33 HA ASP 33 56.526 2.169 -2.585
198 1HB ASP 33 1HB ASP 33 54.297 3.525 -1.128
199 2HB ASP 33 2HB ASP 33 55.143 4.009 -2.590
200 H CYS 34 H CYS 34 55.060 1.769 0.627
201 HA CYS 34 HA CYS 34 56.970 3.540 1.852
202 1HB CYS 34 1HB CYS 34 54.675 1.918 2.746
203 2HB CYS 34 2HB CYS 34 55.975 2.038 3.920
204 H SER 35 H SER 35 56.295 0.062 2.245
205 HA SER 35 HA SER 35 57.631 -1.722 2.702
206 1HB SER 35 1HB SER 35 59.996 -0.147 1.704
207 2HB SER 35 2HB SER 35 59.699 -1.881 1.586
208 HG SER 35 HG SER 35 59.334 -0.808 -0.402
Start of MODEL 4
1 1H GLU 1 1H GLU 1 37.390 -7.479 6.576
2 2H GLU 1 2H GLU 1 36.546 -7.626 8.063
3 3H GLU 1 3H GLU 1 37.545 -8.908 7.509
4 HA GLU 1 HA GLU 1 38.299 -6.285 8.567
5 1HB GLU 1 1HB GLU 1 37.979 -8.701 9.743
6 2HB GLU 1 2HB GLU 1 39.662 -8.824 9.250
7 1HG GLU 1 1HG GLU 1 39.867 -7.952 11.357
8 2HG GLU 1 2HG GLU 1 39.879 -6.489 10.373
9 H GLU 2 H GLU 2 39.424 -9.047 6.650
10 HA GLU 2 HA GLU 2 41.865 -7.562 5.986
11 1HB GLU 2 1HB GLU 2 41.133 -10.445 6.049
12 2HB GLU 2 2HB GLU 2 42.313 -9.937 4.848
13 1HG GLU 2 1HG GLU 2 43.810 -10.272 6.461
14 2HG GLU 2 2HG GLU 2 43.258 -8.721 7.090
15 H ALA 3 H ALA 3 40.011 -6.292 4.754
16 HA ALA 3 HA ALA 3 40.231 -7.136 1.967
17 1HB ALA 3 1HB ALA 3 37.984 -7.816 3.001
18 2HB ALA 3 2HB ALA 3 37.958 -6.932 1.474
19 3HB ALA 3 3HB ALA 3 37.614 -6.092 2.987
20 H CYS 4 H CYS 4 41.268 -5.002 3.894
21 HA CYS 4 HA CYS 4 41.930 -2.833 3.736
22 1HB CYS 4 1HB CYS 4 42.484 -3.704 1.441
23 2HB CYS 4 2HB CYS 4 40.974 -3.010 0.884
24 H GLU 5 H GLU 5 41.039 -0.900 4.278
25 HA GLU 5 HA GLU 5 38.203 -0.499 3.627
26 1HB GLU 5 1HB GLU 5 38.082 0.765 5.813
27 2HB GLU 5 2HB GLU 5 38.282 -0.975 5.953
28 1HG GLU 5 1HG GLU 5 40.850 0.290 5.874
29 2HG GLU 5 2HG GLU 5 39.844 1.043 7.111
30 H LEU 6 H LEU 6 40.896 0.457 2.492
31 HA LEU 6 HA LEU 6 40.229 3.325 2.518
32 1HB LEU 6 1HB LEU 6 42.854 1.915 2.612
33 2HB LEU 6 2HB LEU 6 42.751 3.476 1.820
34 HG LEU 6 HG LEU 6 42.063 2.897 4.702
35 1HD1 LEU 6 1HD1 LEU 6 44.150 4.842 4.013
36 2HD1 LEU 6 2HD1 LEU 6 44.537 3.164 3.634
37 3HD1 LEU 6 3HD1 LEU 6 44.106 3.618 5.282
38 1HD2 LEU 6 1HD2 LEU 6 41.847 5.393 3.042
39 2HD2 LEU 6 2HD2 LEU 6 41.951 5.429 4.802
40 3HD2 LEU 6 3HD2 LEU 6 40.601 4.611 4.016
41 HA PRO 7 HA PRO 7 39.495 2.285 -1.797
42 1HB PRO 7 1HB PRO 7 38.488 5.041 -1.889
43 2HB PRO 7 2HB PRO 7 37.637 3.533 -2.230
44 1HG PRO 7 1HG PRO 7 37.120 5.018 -0.036
45 2HG PRO 7 2HG PRO 7 36.984 3.249 -0.043
46 1HD PRO 7 1HD PRO 7 39.174 4.978 1.042
47 2HD PRO 7 2HD PRO 7 38.474 3.487 1.714
48 H GLU 8 H GLU 8 41.421 4.575 -0.203
49 HA GLU 8 HA GLU 8 42.414 5.933 -2.541
50 1HB GLU 8 1HB GLU 8 44.091 6.871 -0.959
51 2HB GLU 8 2HB GLU 8 42.426 7.121 -0.454
52 1HG GLU 8 1HG GLU 8 42.583 5.403 1.185
53 2HG GLU 8 2HG GLU 8 44.155 4.887 0.573
54 H CYS 9 H CYS 9 43.541 3.289 -0.457
55 HA CYS 9 HA CYS 9 46.110 3.014 -1.456
56 1HB CYS 9 1HB CYS 9 44.311 0.728 -0.639
57 2HB CYS 9 2HB CYS 9 46.073 0.776 -0.595
58 H GLN 10 H GLN 10 43.103 2.305 -2.990
59 HA GLN 10 HA GLN 10 43.925 0.358 -4.830
60 1HB GLN 10 1HB GLN 10 41.592 1.820 -4.319
61 2HB GLN 10 2HB GLN 10 42.016 2.209 -5.980
62 1HG GLN 10 1HG GLN 10 42.332 -0.572 -5.702
63 2HG GLN 10 2HG GLN 10 40.806 -0.153 -4.925
64 1HE2 GLN 10 1HE2 GLN 10 42.151 -1.070 -7.753
65 2HE2 GLN 10 2HE2 GLN 10 40.978 -0.450 -8.859
66 H GLU 11 H GLU 11 44.356 3.824 -4.754
67 HA GLU 11 HA GLU 11 45.767 3.673 -7.342
68 1HB GLU 11 1HB GLU 11 44.413 6.057 -6.063
69 2HB GLU 11 2HB GLU 11 45.318 6.095 -7.570
70 1HG GLU 11 1HG GLU 11 43.065 4.177 -7.337
71 2HG GLU 11 2HG GLU 11 42.693 5.890 -7.526
72 H ASP 12 H ASP 12 45.824 4.704 -4.030
73 HA ASP 12 HA ASP 12 48.236 6.160 -4.105
74 1HB ASP 12 1HB ASP 12 46.240 5.279 -2.178
75 2HB ASP 12 2HB ASP 12 47.847 5.298 -1.524
76 H ALA 13 H ALA 13 47.531 2.802 -4.103
77 HA ALA 13 HA ALA 13 50.002 1.992 -2.845
78 1HB ALA 13 1HB ALA 13 47.966 0.624 -2.648
79 2HB ALA 13 2HB ALA 13 49.307 -0.273 -3.361
80 3HB ALA 13 3HB ALA 13 48.008 0.335 -4.387
81 H GLY 14 H GLY 14 51.883 1.463 -3.824
82 1HA GLY 14 1HA GLY 14 53.436 1.146 -5.500
83 2HA GLY 14 2HA GLY 14 52.103 0.707 -6.552
84 H ASN 15 H ASN 15 52.889 3.766 -4.900
85 HA ASN 15 HA ASN 15 52.905 5.079 -7.518
86 1HB ASN 15 1HB ASN 15 52.085 7.081 -6.280
87 2HB ASN 15 2HB ASN 15 50.953 5.734 -6.275
88 1HD2 ASN 15 1HD2 ASN 15 50.170 7.165 -4.471
89 2HD2 ASN 15 2HD2 ASN 15 50.777 6.803 -2.889
90 H LYS 16 H LYS 16 55.015 3.927 -5.565
91 HA LYS 16 HA LYS 16 57.159 4.353 -5.052
92 1HB LYS 16 1HB LYS 16 57.101 6.976 -6.468
93 2HB LYS 16 2HB LYS 16 58.376 5.760 -6.416
94 1HG LYS 16 1HG LYS 16 55.843 5.732 -8.026
95 2HG LYS 16 2HG LYS 16 57.507 5.714 -8.593
96 1HD LYS 16 1HD LYS 16 57.482 3.481 -7.073
97 2HD LYS 16 2HD LYS 16 55.812 3.510 -7.641
98 1HE LYS 16 1HE LYS 16 56.909 3.946 -9.966
99 2HE LYS 16 2HE LYS 16 58.347 3.267 -9.206
100 1HZ LYS 16 1HZ LYS 16 56.516 1.463 -8.517
101 2HZ LYS 16 2HZ LYS 16 57.455 1.346 -9.918
102 3HZ LYS 16 3HZ LYS 16 55.882 1.962 -10.005
103 H VAL 17 H VAL 17 54.731 5.868 -3.727
104 HA VAL 17 HA VAL 17 56.268 7.890 -2.270
105 HB VAL 17 HB VAL 17 53.352 7.408 -1.777
106 1HG1 VAL 17 1HG1 VAL 17 54.512 10.111 -2.025
107 2HG1 VAL 17 2HG1 VAL 17 55.101 9.133 -0.681
108 3HG1 VAL 17 3HG1 VAL 17 53.377 9.466 -0.839
109 1HG2 VAL 17 1HG2 VAL 17 54.276 9.224 -3.983
110 2HG2 VAL 17 2HG2 VAL 17 52.645 8.652 -3.632
111 3HG2 VAL 17 3HG2 VAL 17 53.843 7.543 -4.294
112 H CYS 18 H CYS 18 54.205 7.427 -0.004
113 HA CYS 18 HA CYS 18 54.890 4.881 1.080
114 1HB CYS 18 1HB CYS 18 56.965 6.098 1.537
115 2HB CYS 18 2HB CYS 18 56.043 7.374 2.321
116 H SER 19 H SER 19 52.909 4.395 1.672
117 HA SER 19 HA SER 19 51.505 6.197 3.529
118 1HB SER 19 1HB SER 19 49.512 4.649 2.350
119 2HB SER 19 2HB SER 19 49.854 6.342 1.994
120 HG SER 19 HG SER 19 50.665 5.781 0.133
121 H LEU 20 H LEU 20 51.688 5.334 5.413
122 HA LEU 20 HA LEU 20 52.146 2.594 5.947
123 1HB LEU 20 1HB LEU 20 51.265 4.892 7.677
124 2HB LEU 20 2HB LEU 20 51.731 3.317 8.310
125 HG LEU 20 HG LEU 20 53.598 4.869 6.572
126 1HD1 LEU 20 1HD1 LEU 20 52.764 6.326 8.449
127 2HD1 LEU 20 2HD1 LEU 20 54.506 6.044 8.419
128 3HD1 LEU 20 3HD1 LEU 20 53.490 5.167 9.564
129 1HD2 LEU 20 1HD2 LEU 20 55.207 3.447 7.333
130 2HD2 LEU 20 2HD2 LEU 20 53.806 2.388 7.486
131 3HD2 LEU 20 3HD2 LEU 20 54.432 3.232 8.903
132 H GLN 21 H GLN 21 49.324 4.646 5.964
133 HA GLN 21 HA GLN 21 47.555 2.765 7.145
134 1HB GLN 21 1HB GLN 21 45.915 4.380 5.607
135 2HB GLN 21 2HB GLN 21 46.350 4.642 7.286
136 1HG GLN 21 1HG GLN 21 46.655 6.665 6.034
137 2HG GLN 21 2HG GLN 21 48.222 6.059 6.563
138 1HE2 GLN 21 1HE2 GLN 21 46.127 5.212 3.829
139 2HE2 GLN 21 2HE2 GLN 21 47.314 5.517 2.604
140 H CYS 22 H CYS 22 49.096 2.677 4.194
141 HA CYS 22 HA CYS 22 46.965 1.006 3.040
142 1HB CYS 22 1HB CYS 22 48.977 2.831 1.745
143 2HB CYS 22 2HB CYS 22 48.233 1.518 0.842
144 H ASN 23 H ASN 23 50.166 1.209 4.209
145 HA ASN 23 HA ASN 23 51.286 -0.973 2.821
146 1HB ASN 23 1HB ASN 23 52.316 1.103 4.030
147 2HB ASN 23 2HB ASN 23 52.240 0.058 5.443
148 1HD2 ASN 23 1HD2 ASN 23 54.543 0.926 4.772
149 2HD2 ASN 23 2HD2 ASN 23 55.523 -0.295 4.037
150 H ASN 24 H ASN 24 49.008 -2.061 3.629
151 HA ASN 24 HA ASN 24 49.787 -3.668 5.953
152 1HB ASN 24 1HB ASN 24 47.111 -4.116 5.792
153 2HB ASN 24 2HB ASN 24 47.883 -3.020 6.907
154 1HD2 ASN 24 1HD2 ASN 24 48.397 -0.807 5.664
155 2HD2 ASN 24 2HD2 ASN 24 47.002 -0.127 4.890
156 H HIS 25 H HIS 25 48.350 -5.699 5.986
157 HA HIS 25 HA HIS 25 49.192 -7.224 3.694
158 1HB HIS 25 1HB HIS 25 49.552 -8.070 5.928
159 2HB HIS 25 2HB HIS 25 47.832 -7.943 6.288
160 HD1 HIS 25 HD1 HIS 25 47.951 -10.553 6.830
161 HD2 HIS 25 HD2 HIS 25 48.637 -9.495 2.877
162 HE1 HIS 25 HE1 HIS 25 47.720 -12.687 5.518
163 HE2 HIS 25 HE2 HIS 25 48.238 -12.041 3.137
164 H ALA 26 H ALA 26 46.272 -5.911 5.042
165 HA ALA 26 HA ALA 26 44.568 -7.497 3.313
166 1HB ALA 26 1HB ALA 26 42.733 -6.223 4.446
167 2HB ALA 26 2HB ALA 26 43.977 -5.452 5.430
168 3HB ALA 26 3HB ALA 26 43.749 -7.199 5.507
169 H CYS 27 H CYS 27 46.161 -4.433 3.126
170 HA CYS 27 HA CYS 27 44.170 -3.503 1.177
171 1HB CYS 27 1HB CYS 27 46.235 -2.133 2.826
172 2HB CYS 27 2HB CYS 27 45.829 -1.429 1.265
173 H GLY 28 H GLY 28 47.426 -4.654 1.498
174 1HA GLY 28 1HA GLY 28 48.162 -5.753 -0.650
175 2HA GLY 28 2HA GLY 28 47.811 -4.203 -1.401
176 H TRP 29 H TRP 29 49.007 -3.643 1.665
177 HA TRP 29 HA TRP 29 50.956 -3.002 2.504
178 1HB TRP 29 1HB TRP 29 52.052 -4.707 0.258
179 2HB TRP 29 2HB TRP 29 53.068 -3.935 1.471
180 HD1 TRP 29 HD1 TRP 29 51.577 -7.164 0.872
181 HE1 TRP 29 HE1 TRP 29 51.289 -8.444 3.095
182 HE3 TRP 29 HE3 TRP 29 52.158 -3.343 4.121
183 HZ2 TRP 29 HZ2 TRP 29 51.317 -7.906 5.803
184 HZ3 TRP 29 HZ3 TRP 29 51.966 -3.753 6.507
185 HH2 TRP 29 HH2 TRP 29 51.569 -6.026 7.359
186 H ASP 30 H ASP 30 49.561 -1.270 0.927
187 HA ASP 30 HA ASP 30 49.669 0.639 -0.304
188 1HB ASP 30 1HB ASP 30 50.899 1.315 1.700
189 2HB ASP 30 2HB ASP 30 52.390 0.711 1.015
190 H GLY 31 H GLY 31 50.717 -1.882 -1.575
191 1HA GLY 31 1HA GLY 31 51.458 -2.397 -3.690
192 2HA GLY 31 2HA GLY 31 51.601 -0.675 -4.001
193 H GLY 32 H GLY 32 53.393 -0.882 -1.353
194 1HA GLY 32 1HA GLY 32 55.611 -1.711 -0.970
195 2HA GLY 32 2HA GLY 32 55.794 -1.904 -2.709
196 H ASP 33 H ASP 33 54.378 0.941 -1.257
197 HA ASP 33 HA ASP 33 56.472 2.562 -2.444
198 1HB ASP 33 1HB ASP 33 54.170 3.710 -0.917
199 2HB ASP 33 2HB ASP 33 55.008 4.343 -2.325
200 H CYS 34 H CYS 34 55.033 1.931 0.740
201 HA CYS 34 HA CYS 34 56.865 3.720 2.055
202 1HB CYS 34 1HB CYS 34 54.641 1.961 2.862
203 2HB CYS 34 2HB CYS 34 55.935 2.072 4.044
204 H SER 35 H SER 35 56.338 0.203 2.300
205 HA SER 35 HA SER 35 59.010 -0.536 1.877
206 1HB SER 35 1HB SER 35 59.291 0.647 4.079
207 2HB SER 35 2HB SER 35 58.248 -0.576 4.803
208 HG SER 35 HG SER 35 60.813 -0.736 4.506
Start of MODEL 5
1 1H GLU 1 1H GLU 1 39.779 -9.915 9.766
2 2H GLU 1 2H GLU 1 38.404 -9.151 10.452
3 3H GLU 1 3H GLU 1 39.849 -8.259 10.201
4 HA GLU 1 HA GLU 1 38.372 -9.531 8.010
5 1HB GLU 1 1HB GLU 1 37.035 -7.874 9.459
6 2HB GLU 1 2HB GLU 1 38.124 -6.644 8.833
7 1HG GLU 1 1HG GLU 1 36.097 -6.663 7.545
8 2HG GLU 1 2HG GLU 1 37.436 -7.229 6.547
9 H GLU 2 H GLU 2 39.482 -9.377 6.170
10 HA GLU 2 HA GLU 2 41.581 -7.325 5.953
11 1HB GLU 2 1HB GLU 2 42.916 -9.022 4.655
12 2HB GLU 2 2HB GLU 2 42.757 -9.353 6.375
13 1HG GLU 2 1HG GLU 2 40.801 -10.855 5.727
14 2HG GLU 2 2HG GLU 2 41.403 -10.716 4.076
15 H ALA 3 H ALA 3 40.000 -6.098 4.772
16 HA ALA 3 HA ALA 3 39.900 -6.882 1.961
17 1HB ALA 3 1HB ALA 3 37.646 -6.823 1.730
18 2HB ALA 3 2HB ALA 3 37.440 -5.623 3.006
19 3HB ALA 3 3HB ALA 3 37.706 -7.315 3.423
20 H CYS 4 H CYS 4 41.212 -4.841 3.832
21 HA CYS 4 HA CYS 4 41.963 -2.702 3.650
22 1HB CYS 4 1HB CYS 4 42.275 -3.570 1.298
23 2HB CYS 4 2HB CYS 4 40.771 -2.769 0.883
24 H GLU 5 H GLU 5 41.225 -0.690 4.212
25 HA GLU 5 HA GLU 5 38.351 -0.202 3.874
26 1HB GLU 5 1HB GLU 5 38.265 0.839 6.032
27 2HB GLU 5 2HB GLU 5 39.018 -0.738 6.225
28 1HG GLU 5 1HG GLU 5 41.231 0.362 6.216
29 2HG GLU 5 2HG GLU 5 40.418 1.926 6.140
30 H LEU 6 H LEU 6 40.988 0.668 2.488
31 HA LEU 6 HA LEU 6 40.275 3.519 2.398
32 1HB LEU 6 1HB LEU 6 42.999 2.256 2.461
33 2HB LEU 6 2HB LEU 6 42.737 3.889 1.889
34 HG LEU 6 HG LEU 6 43.410 4.203 4.088
35 1HD1 LEU 6 1HD1 LEU 6 41.001 5.078 3.434
36 2HD1 LEU 6 2HD1 LEU 6 41.681 5.327 5.042
37 3HD1 LEU 6 3HD1 LEU 6 40.529 4.021 4.765
38 1HD2 LEU 6 1HD2 LEU 6 41.918 1.682 4.619
39 2HD2 LEU 6 2HD2 LEU 6 42.185 2.817 5.941
40 3HD2 LEU 6 3HD2 LEU 6 43.559 2.139 5.070
41 HA PRO 7 HA PRO 7 39.724 2.197 -1.868
42 1HB PRO 7 1HB PRO 7 38.610 4.898 -2.152
43 2HB PRO 7 2HB PRO 7 37.833 3.338 -2.430
44 1HG PRO 7 1HG PRO 7 37.184 4.922 -0.342
45 2HG PRO 7 2HG PRO 7 37.124 3.152 -0.250
46 1HD PRO 7 1HD PRO 7 39.203 5.035 0.795
47 2HD PRO 7 2HD PRO 7 38.544 3.557 1.534
48 H GLU 8 H GLU 8 41.489 4.677 -0.363
49 HA GLU 8 HA GLU 8 42.473 5.992 -2.704
50 1HB GLU 8 1HB GLU 8 44.231 6.865 -1.107
51 2HB GLU 8 2HB GLU 8 42.563 7.237 -0.693
52 1HG GLU 8 1HG GLU 8 42.532 5.681 1.054
53 2HG GLU 8 2HG GLU 8 43.992 4.877 0.477
54 H CYS 9 H CYS 9 43.625 3.316 -0.690
55 HA CYS 9 HA CYS 9 46.197 3.054 -1.643
56 1HB CYS 9 1HB CYS 9 44.375 0.713 -1.087
57 2HB CYS 9 2HB CYS 9 46.130 0.781 -0.930
58 H GLN 10 H GLN 10 43.226 2.425 -3.307
59 HA GLN 10 HA GLN 10 44.065 0.622 -5.256
60 1HB GLN 10 1HB GLN 10 41.713 1.408 -4.867
61 2HB GLN 10 2HB GLN 10 42.136 2.909 -5.680
62 1HG GLN 10 1HG GLN 10 42.908 0.734 -7.342
63 2HG GLN 10 2HG GLN 10 41.246 0.478 -6.812
64 1HE2 GLN 10 1HE2 GLN 10 40.120 2.850 -6.740
65 2HE2 GLN 10 2HE2 GLN 10 40.178 3.645 -8.273
66 H GLU 11 H GLU 11 44.567 4.078 -4.970
67 HA GLU 11 HA GLU 11 46.149 4.014 -7.461
68 1HB GLU 11 1HB GLU 11 45.752 6.453 -7.608
69 2HB GLU 11 2HB GLU 11 44.262 5.523 -7.687
70 1HG GLU 11 1HG GLU 11 43.764 6.047 -5.387
71 2HG GLU 11 2HG GLU 11 45.307 6.882 -5.214
72 H ASP 12 H ASP 12 46.000 4.879 -4.107
73 HA ASP 12 HA ASP 12 48.434 6.301 -3.962
74 1HB ASP 12 1HB ASP 12 46.290 5.396 -2.215
75 2HB ASP 12 2HB ASP 12 47.847 5.356 -1.449
76 H ALA 13 H ALA 13 47.729 2.983 -4.256
77 HA ALA 13 HA ALA 13 50.126 2.113 -2.852
78 1HB ALA 13 1HB ALA 13 49.388 -0.127 -3.277
79 2HB ALA 13 2HB ALA 13 48.183 0.439 -4.435
80 3HB ALA 13 3HB ALA 13 48.004 0.814 -2.721
81 H GLY 14 H GLY 14 51.976 1.377 -3.810
82 1HA GLY 14 1HA GLY 14 53.557 1.072 -5.458
83 2HA GLY 14 2HA GLY 14 52.226 0.651 -6.522
84 H ASN 15 H ASN 15 53.016 3.715 -4.892
85 HA ASN 15 HA ASN 15 53.128 4.995 -7.524
86 1HB ASN 15 1HB ASN 15 52.305 7.024 -6.306
87 2HB ASN 15 2HB ASN 15 51.150 5.699 -6.378
88 1HD2 ASN 15 1HD2 ASN 15 50.280 7.088 -4.596
89 2HD2 ASN 15 2HD2 ASN 15 50.806 6.705 -2.991
90 H LYS 16 H LYS 16 55.167 3.848 -5.493
91 HA LYS 16 HA LYS 16 57.298 4.263 -4.919
92 1HB LYS 16 1HB LYS 16 57.303 6.871 -6.363
93 2HB LYS 16 2HB LYS 16 58.569 5.649 -6.254
94 1HG LYS 16 1HG LYS 16 56.094 5.620 -7.952
95 2HG LYS 16 2HG LYS 16 57.777 5.575 -8.458
96 1HD LYS 16 1HD LYS 16 57.598 3.366 -6.855
97 2HD LYS 16 2HD LYS 16 56.010 3.405 -7.625
98 1HE LYS 16 1HE LYS 16 56.916 2.491 -9.435
99 2HE LYS 16 2HE LYS 16 57.880 3.951 -9.651
100 1HZ LYS 16 1HZ LYS 16 59.365 2.754 -7.859
101 2HZ LYS 16 2HZ LYS 16 59.526 2.413 -9.507
102 3HZ LYS 16 3HZ LYS 16 58.643 1.369 -8.511
103 H VAL 17 H VAL 17 54.836 5.817 -3.697
104 HA VAL 17 HA VAL 17 56.344 7.831 -2.197
105 HB VAL 17 HB VAL 17 53.406 7.399 -1.806
106 1HG1 VAL 17 1HG1 VAL 17 54.650 10.073 -2.057
107 2HG1 VAL 17 2HG1 VAL 17 55.118 9.106 -0.659
108 3HG1 VAL 17 3HG1 VAL 17 53.421 9.494 -0.933
109 1HG2 VAL 17 1HG2 VAL 17 52.785 8.647 -3.699
110 2HG2 VAL 17 2HG2 VAL 17 53.954 7.474 -4.302
111 3HG2 VAL 17 3HG2 VAL 17 54.445 9.143 -4.023
112 H CYS 18 H CYS 18 54.187 7.418 -0.010
113 HA CYS 18 HA CYS 18 54.845 4.867 1.114
114 1HB CYS 18 1HB CYS 18 56.845 6.149 1.702
115 2HB CYS 18 2HB CYS 18 55.833 7.398 2.418
116 H SER 19 H SER 19 52.844 4.323 1.561
117 HA SER 19 HA SER 19 51.226 6.112 3.254
118 1HB SER 19 1HB SER 19 50.471 4.473 0.868
119 2HB SER 19 2HB SER 19 49.298 4.626 2.176
120 HG SER 19 HG SER 19 50.583 6.864 1.015
121 H LEU 20 H LEU 20 51.338 5.371 5.198
122 HA LEU 20 HA LEU 20 51.932 2.699 5.921
123 1HB LEU 20 1HB LEU 20 50.839 5.044 7.454
124 2HB LEU 20 2HB LEU 20 51.337 3.536 8.212
125 HG LEU 20 HG LEU 20 53.245 5.026 6.476
126 1HD1 LEU 20 1HD1 LEU 20 54.049 6.161 8.589
127 2HD1 LEU 20 2HD1 LEU 20 52.497 5.721 9.303
128 3HD1 LEU 20 3HD1 LEU 20 52.550 6.780 7.895
129 1HD2 LEU 20 1HD2 LEU 20 54.905 3.946 7.790
130 2HD2 LEU 20 2HD2 LEU 20 53.701 2.725 7.373
131 3HD2 LEU 20 3HD2 LEU 20 53.714 3.435 8.987
132 H GLN 21 H GLN 21 48.968 4.621 5.992
133 HA GLN 21 HA GLN 21 47.322 2.609 7.084
134 1HB GLN 21 1HB GLN 21 45.495 4.020 6.638
135 2HB GLN 21 2HB GLN 21 46.841 5.108 6.941
136 1HG GLN 21 1HG GLN 21 45.839 4.319 4.214
137 2HG GLN 21 2HG GLN 21 45.427 5.812 5.057
138 1HE2 GLN 21 1HE2 GLN 21 46.738 5.486 2.510
139 2HE2 GLN 21 2HE2 GLN 21 48.285 6.251 2.649
140 H CYS 22 H CYS 22 48.859 2.646 4.128
141 HA CYS 22 HA CYS 22 46.793 0.934 2.917
142 1HB CYS 22 1HB CYS 22 48.820 2.797 1.706
143 2HB CYS 22 2HB CYS 22 48.152 1.467 0.769
144 H ASN 23 H ASN 23 49.960 1.178 4.171
145 HA ASN 23 HA ASN 23 51.143 -1.000 2.829
146 1HB ASN 23 1HB ASN 23 52.121 1.078 4.068
147 2HB ASN 23 2HB ASN 23 51.991 0.044 5.483
148 1HD2 ASN 23 1HD2 ASN 23 54.314 0.945 4.849
149 2HD2 ASN 23 2HD2 ASN 23 55.327 -0.288 4.181
150 H ASN 24 H ASN 24 48.816 -2.080 3.591
151 HA ASN 24 HA ASN 24 49.555 -3.709 5.913
152 1HB ASN 24 1HB ASN 24 46.880 -4.143 5.715
153 2HB ASN 24 2HB ASN 24 47.641 -3.054 6.844
154 1HD2 ASN 24 1HD2 ASN 24 48.181 -0.842 5.600
155 2HD2 ASN 24 2HD2 ASN 24 46.796 -0.156 4.816
156 H HIS 25 H HIS 25 48.083 -5.727 5.904
157 HA HIS 25 HA HIS 25 48.957 -7.247 3.621
158 1HB HIS 25 1HB HIS 25 49.251 -8.112 5.858
159 2HB HIS 25 2HB HIS 25 47.524 -7.962 6.179
160 HD1 HIS 25 HD1 HIS 25 47.585 -10.573 6.710
161 HD2 HIS 25 HD2 HIS 25 48.395 -9.510 2.782
162 HE1 HIS 25 HE1 HIS 25 47.356 -12.698 5.382
163 HE2 HIS 25 HE2 HIS 25 47.766 -12.013 2.990
164 H ALA 26 H ALA 26 46.020 -5.912 4.921
165 HA ALA 26 HA ALA 26 44.338 -7.444 3.123
166 1HB ALA 26 1HB ALA 26 43.644 -5.368 5.186
167 2HB ALA 26 2HB ALA 26 43.557 -7.120 5.375
168 3HB ALA 26 3HB ALA 26 42.479 -6.299 4.245
169 H CYS 27 H CYS 27 45.986 -4.414 3.020
170 HA CYS 27 HA CYS 27 44.050 -3.396 1.057
171 1HB CYS 27 1HB CYS 27 46.124 -2.117 2.766
172 2HB CYS 27 2HB CYS 27 45.784 -1.379 1.205
173 H GLY 28 H GLY 28 47.270 -4.637 1.409
174 1HA GLY 28 1HA GLY 28 48.023 -5.728 -0.735
175 2HA GLY 28 2HA GLY 28 47.707 -4.167 -1.479
176 H TRP 29 H TRP 29 48.860 -3.663 1.611
177 HA TRP 29 HA TRP 29 50.804 -3.051 2.492
178 1HB TRP 29 1HB TRP 29 51.910 -4.763 0.257
179 2HB TRP 29 2HB TRP 29 52.920 -4.011 1.488
180 HD1 TRP 29 HD1 TRP 29 51.396 -7.216 0.859
181 HE1 TRP 29 HE1 TRP 29 51.045 -8.492 3.076
182 HE3 TRP 29 HE3 TRP 29 51.961 -3.404 4.121
183 HZ2 TRP 29 HZ2 TRP 29 51.023 -7.953 5.785
184 HZ3 TRP 29 HZ3 TRP 29 51.716 -3.807 6.502
185 HH2 TRP 29 HH2 TRP 29 51.269 -6.075 7.346
186 H ASP 30 H ASP 30 49.472 -1.283 0.881
187 HA ASP 30 HA ASP 30 49.654 0.622 -0.354
188 1HB ASP 30 1HB ASP 30 50.783 1.323 1.680
189 2HB ASP 30 2HB ASP 30 52.293 0.640 1.124
190 H GLY 31 H GLY 31 50.709 -1.909 -1.588
191 1HA GLY 31 1HA GLY 31 51.545 -2.441 -3.662
192 2HA GLY 31 2HA GLY 31 51.712 -0.721 -3.973
193 H GLY 32 H GLY 32 53.391 -0.911 -1.258
194 1HA GLY 32 1HA GLY 32 55.583 -1.748 -0.767
195 2HA GLY 32 2HA GLY 32 55.838 -1.970 -2.493
196 H ASP 33 H ASP 33 54.381 0.913 -1.167
197 HA ASP 33 HA ASP 33 56.550 2.488 -2.274
198 1HB ASP 33 1HB ASP 33 54.206 3.727 -0.901
199 2HB ASP 33 2HB ASP 33 55.099 4.269 -2.312
200 H CYS 34 H CYS 34 54.955 1.918 0.847
201 HA CYS 34 HA CYS 34 56.717 3.734 2.219
202 1HB CYS 34 1HB CYS 34 54.467 1.972 2.949
203 2HB CYS 34 2HB CYS 34 55.704 2.117 4.186
204 H SER 35 H SER 35 56.192 0.219 2.481
205 HA SER 35 HA SER 35 58.874 -0.531 2.191
206 1HB SER 35 1HB SER 35 58.070 0.279 4.918
207 2HB SER 35 2HB SER 35 58.929 -1.257 4.806
208 HG SER 35 HG SER 35 59.794 1.309 3.994
Start of MODEL 6
1 1H GLU 1 1H GLU 1 39.380 -10.473 8.918
2 2H GLU 1 2H GLU 1 38.787 -9.554 10.241
3 3H GLU 1 3H GLU 1 40.406 -9.352 9.711
4 HA GLU 1 HA GLU 1 38.112 -8.845 7.961
5 1HB GLU 1 1HB GLU 1 38.288 -6.483 8.622
6 2HB GLU 1 2HB GLU 1 37.836 -7.500 9.984
7 1HG GLU 1 1HG GLU 1 40.375 -7.516 10.492
8 2HG GLU 1 2HG GLU 1 40.417 -6.100 9.445
9 H GLU 2 H GLU 2 39.133 -9.235 6.066
10 HA GLU 2 HA GLU 2 41.578 -7.686 5.537
11 1HB GLU 2 1HB GLU 2 41.905 -10.219 5.829
12 2HB GLU 2 2HB GLU 2 41.065 -10.378 4.291
13 1HG GLU 2 1HG GLU 2 42.785 -8.856 3.299
14 2HG GLU 2 2HG GLU 2 43.668 -8.972 4.821
15 H ALA 3 H ALA 3 39.954 -6.137 4.730
16 HA ALA 3 HA ALA 3 39.387 -6.666 1.916
17 1HB ALA 3 1HB ALA 3 37.346 -7.075 3.442
18 2HB ALA 3 2HB ALA 3 37.140 -6.089 1.995
19 3HB ALA 3 3HB ALA 3 37.295 -5.317 3.574
20 H CYS 4 H CYS 4 41.190 -4.955 3.714
21 HA CYS 4 HA CYS 4 42.176 -2.910 3.569
22 1HB CYS 4 1HB CYS 4 42.085 -3.559 1.151
23 2HB CYS 4 2HB CYS 4 40.596 -2.642 1.012
24 H GLU 5 H GLU 5 41.790 -0.760 4.186
25 HA GLU 5 HA GLU 5 38.961 -0.052 4.524
26 1HB GLU 5 1HB GLU 5 39.499 1.016 6.626
27 2HB GLU 5 2HB GLU 5 40.059 -0.650 6.662
28 1HG GLU 5 1HG GLU 5 42.286 0.564 5.778
29 2HG GLU 5 2HG GLU 5 41.584 1.867 6.736
30 H LEU 6 H LEU 6 41.344 0.649 2.621
31 HA LEU 6 HA LEU 6 40.690 3.506 2.530
32 1HB LEU 6 1HB LEU 6 43.368 2.212 2.629
33 2HB LEU 6 2HB LEU 6 43.172 3.655 1.654
34 HG LEU 6 HG LEU 6 44.007 4.324 3.784
35 1HD1 LEU 6 1HD1 LEU 6 42.018 5.566 2.692
36 2HD1 LEU 6 2HD1 LEU 6 42.483 5.972 4.344
37 3HD1 LEU 6 3HD1 LEU 6 41.092 4.928 4.051
38 1HD2 LEU 6 1HD2 LEU 6 41.718 3.340 5.350
39 2HD2 LEU 6 2HD2 LEU 6 43.424 3.463 5.779
40 3HD2 LEU 6 3HD2 LEU 6 42.858 2.117 4.790
41 HA PRO 7 HA PRO 7 39.777 1.969 -1.603
42 1HB PRO 7 1HB PRO 7 38.524 4.595 -1.927
43 2HB PRO 7 2HB PRO 7 37.786 2.995 -2.003
44 1HG PRO 7 1HG PRO 7 37.319 4.726 0.026
45 2HG PRO 7 2HG PRO 7 37.304 2.965 0.242
46 1HD PRO 7 1HD PRO 7 39.442 4.943 0.934
47 2HD PRO 7 2HD PRO 7 38.894 3.509 1.834
48 H GLU 8 H GLU 8 41.620 4.533 -0.390
49 HA GLU 8 HA GLU 8 42.312 5.741 -2.908
50 1HB GLU 8 1HB GLU 8 43.836 7.093 -1.664
51 2HB GLU 8 2HB GLU 8 42.367 6.940 -0.711
52 1HG GLU 8 1HG GLU 8 43.786 4.881 0.278
53 2HG GLU 8 2HG GLU 8 45.092 5.977 -0.166
54 H CYS 9 H CYS 9 43.656 3.219 -0.854
55 HA CYS 9 HA CYS 9 46.223 3.016 -1.781
56 1HB CYS 9 1HB CYS 9 44.460 0.605 -1.345
57 2HB CYS 9 2HB CYS 9 46.206 0.730 -1.125
58 H GLN 10 H GLN 10 43.310 2.331 -3.538
59 HA GLN 10 HA GLN 10 44.254 0.606 -5.502
60 1HB GLN 10 1HB GLN 10 42.407 1.322 -6.853
61 2HB GLN 10 2HB GLN 10 41.874 1.298 -5.178
62 1HG GLN 10 1HG GLN 10 42.228 3.740 -5.070
63 2HG GLN 10 2HG GLN 10 42.645 3.724 -6.783
64 1HE2 GLN 10 1HE2 GLN 10 41.035 3.294 -8.309
65 2HE2 GLN 10 2HE2 GLN 10 39.356 3.441 -7.926
66 H GLU 11 H GLU 11 44.605 4.086 -5.176
67 HA GLU 11 HA GLU 11 46.303 4.090 -7.589
68 1HB GLU 11 1HB GLU 11 44.705 6.357 -6.380
69 2HB GLU 11 2HB GLU 11 45.807 6.523 -7.740
70 1HG GLU 11 1HG GLU 11 43.880 4.419 -8.191
71 2HG GLU 11 2HG GLU 11 43.095 5.960 -7.843
72 H ASP 12 H ASP 12 45.966 4.927 -4.246
73 HA ASP 12 HA ASP 12 48.311 6.475 -3.985
74 1HB ASP 12 1HB ASP 12 46.153 5.429 -2.338
75 2HB ASP 12 2HB ASP 12 47.678 5.465 -1.509
76 H ALA 13 H ALA 13 47.757 3.106 -4.260
77 HA ALA 13 HA ALA 13 50.189 2.379 -2.834
78 1HB ALA 13 1HB ALA 13 48.184 0.963 -2.630
79 2HB ALA 13 2HB ALA 13 49.566 0.083 -3.286
80 3HB ALA 13 3HB ALA 13 48.271 0.620 -4.357
81 H GLY 14 H GLY 14 52.011 1.461 -3.800
82 1HA GLY 14 1HA GLY 14 53.606 1.200 -5.440
83 2HA GLY 14 2HA GLY 14 52.273 0.833 -6.523
84 H ASN 15 H ASN 15 53.040 3.858 -4.818
85 HA ASN 15 HA ASN 15 53.270 5.177 -7.423
86 1HB ASN 15 1HB ASN 15 52.400 7.191 -6.228
87 2HB ASN 15 2HB ASN 15 51.245 5.867 -6.335
88 1HD2 ASN 15 1HD2 ASN 15 50.383 7.350 -4.580
89 2HD2 ASN 15 2HD2 ASN 15 50.832 6.931 -2.961
90 H LYS 16 H LYS 16 55.216 3.982 -5.342
91 HA LYS 16 HA LYS 16 57.324 4.369 -4.673
92 1HB LYS 16 1HB LYS 16 57.405 7.007 -6.059
93 2HB LYS 16 2HB LYS 16 58.655 5.771 -5.932
94 1HG LYS 16 1HG LYS 16 56.240 5.798 -7.715
95 2HG LYS 16 2HG LYS 16 57.939 5.766 -8.166
96 1HD LYS 16 1HD LYS 16 57.783 3.514 -6.681
97 2HD LYS 16 2HD LYS 16 56.155 3.572 -7.361
98 1HE LYS 16 1HE LYS 16 57.587 4.111 -9.567
99 2HE LYS 16 2HE LYS 16 58.762 3.133 -8.688
100 1HZ LYS 16 1HZ LYS 16 56.658 1.600 -8.391
101 2HZ LYS 16 2HZ LYS 16 57.637 1.504 -9.768
102 3HZ LYS 16 3HZ LYS 16 56.182 2.365 -9.824
103 H VAL 17 H VAL 17 54.830 5.905 -3.504
104 HA VAL 17 HA VAL 17 56.279 7.902 -1.931
105 HB VAL 17 HB VAL 17 53.340 7.408 -1.615
106 1HG1 VAL 17 1HG1 VAL 17 54.999 9.109 -0.375
107 2HG1 VAL 17 2HG1 VAL 17 53.296 9.465 -0.665
108 3HG1 VAL 17 3HG1 VAL 17 54.529 10.111 -1.747
109 1HG2 VAL 17 1HG2 VAL 17 52.735 8.652 -3.495
110 2HG2 VAL 17 2HG2 VAL 17 54.009 7.595 -4.101
111 3HG2 VAL 17 3HG2 VAL 17 54.367 9.278 -3.724
112 H CYS 18 H CYS 18 54.089 7.409 0.209
113 HA CYS 18 HA CYS 18 54.727 4.852 1.301
114 1HB CYS 18 1HB CYS 18 56.764 6.084 1.886
115 2HB CYS 18 2HB CYS 18 55.787 7.335 2.643
116 H SER 19 H SER 19 52.721 4.345 1.779
117 HA SER 19 HA SER 19 51.201 6.121 3.570
118 1HB SER 19 1HB SER 19 49.275 4.585 2.300
119 2HB SER 19 2HB SER 19 49.659 6.264 1.920
120 HG SER 19 HG SER 19 50.250 5.556 0.045
121 H LEU 20 H LEU 20 51.296 5.249 5.455
122 HA LEU 20 HA LEU 20 51.748 2.506 5.995
123 1HB LEU 20 1HB LEU 20 50.772 4.788 7.698
124 2HB LEU 20 2HB LEU 20 51.225 3.213 8.340
125 HG LEU 20 HG LEU 20 53.156 4.784 6.694
126 1HD1 LEU 20 1HD1 LEU 20 53.951 5.425 9.177
127 2HD1 LEU 20 2HD1 LEU 20 52.204 5.422 9.412
128 3HD1 LEU 20 3HD1 LEU 20 52.927 6.463 8.187
129 1HD2 LEU 20 1HD2 LEU 20 53.681 2.992 9.047
130 2HD2 LEU 20 2HD2 LEU 20 54.798 3.497 7.779
131 3HD2 LEU 20 3HD2 LEU 20 53.497 2.366 7.409
132 H GLN 21 H GLN 21 48.920 4.543 5.855
133 HA GLN 21 HA GLN 21 47.104 2.653 6.957
134 1HB GLN 21 1HB GLN 21 45.540 4.265 5.332
135 2HB GLN 21 2HB GLN 21 45.877 4.517 7.035
136 1HG GLN 21 1HG GLN 21 46.244 6.552 5.827
137 2HG GLN 21 2HG GLN 21 47.786 5.944 6.424
138 1HE2 GLN 21 1HE2 GLN 21 45.829 5.120 3.582
139 2HE2 GLN 21 2HE2 GLN 21 47.073 5.444 2.419
140 H CYS 22 H CYS 22 48.797 2.558 4.094
141 HA CYS 22 HA CYS 22 46.733 0.875 2.842
142 1HB CYS 22 1HB CYS 22 48.734 2.770 1.646
143 2HB CYS 22 2HB CYS 22 48.125 1.414 0.705
144 H ASN 23 H ASN 23 49.866 1.096 4.169
145 HA ASN 23 HA ASN 23 51.079 -1.051 2.798
146 1HB ASN 23 1HB ASN 23 52.026 1.016 4.085
147 2HB ASN 23 2HB ASN 23 51.893 -0.049 5.479
148 1HD2 ASN 23 1HD2 ASN 23 54.214 0.855 4.931
149 2HD2 ASN 23 2HD2 ASN 23 55.242 -0.345 4.229
150 H ASN 24 H ASN 24 48.728 -2.129 3.534
151 HA ASN 24 HA ASN 24 49.457 -3.803 5.827
152 1HB ASN 24 1HB ASN 24 46.781 -4.222 5.618
153 2HB ASN 24 2HB ASN 24 47.544 -3.153 6.766
154 1HD2 ASN 24 1HD2 ASN 24 48.086 -0.918 5.573
155 2HD2 ASN 24 2HD2 ASN 24 46.708 -0.216 4.792
156 H HIS 25 H HIS 25 47.978 -5.813 5.781
157 HA HIS 25 HA HIS 25 48.844 -7.297 3.470
158 1HB HIS 25 1HB HIS 25 49.133 -8.202 5.692
159 2HB HIS 25 2HB HIS 25 47.407 -8.051 6.014
160 HD1 HIS 25 HD1 HIS 25 47.456 -10.673 6.496
161 HD2 HIS 25 HD2 HIS 25 48.271 -9.538 2.589
162 HE1 HIS 25 HE1 HIS 25 47.217 -12.771 5.127
163 HE2 HIS 25 HE2 HIS 25 47.616 -12.039 2.748
164 H ALA 26 H ALA 26 45.921 -5.967 4.797
165 HA ALA 26 HA ALA 26 44.218 -7.454 2.982
166 1HB ALA 26 1HB ALA 26 43.440 -5.327 4.958
167 2HB ALA 26 2HB ALA 26 43.571 -7.045 5.334
168 3HB ALA 26 3HB ALA 26 42.379 -6.486 4.159
169 H CYS 27 H CYS 27 45.927 -4.473 2.884
170 HA CYS 27 HA CYS 27 43.985 -3.387 0.961
171 1HB CYS 27 1HB CYS 27 46.080 -2.169 2.687
172 2HB CYS 27 2HB CYS 27 45.755 -1.400 1.138
173 H GLY 28 H GLY 28 47.212 -4.633 1.297
174 1HA GLY 28 1HA GLY 28 47.948 -5.712 -0.867
175 2HA GLY 28 2HA GLY 28 47.647 -4.137 -1.588
176 H TRP 29 H TRP 29 48.796 -3.679 1.507
177 HA TRP 29 HA TRP 29 50.739 -3.099 2.405
178 1HB TRP 29 1HB TRP 29 51.844 -4.786 0.152
179 2HB TRP 29 2HB TRP 29 52.853 -4.060 1.400
180 HD1 TRP 29 HD1 TRP 29 51.312 -7.243 0.717
181 HE1 TRP 29 HE1 TRP 29 50.937 -8.549 2.912
182 HE3 TRP 29 HE3 TRP 29 51.876 -3.482 4.039
183 HZ2 TRP 29 HZ2 TRP 29 50.900 -8.051 5.626
184 HZ3 TRP 29 HZ3 TRP 29 51.613 -3.923 6.413
185 HH2 TRP 29 HH2 TRP 29 51.146 -6.200 7.218
186 H ASP 30 H ASP 30 49.426 -1.306 0.793
187 HA ASP 30 HA ASP 30 49.630 0.616 -0.408
188 1HB ASP 30 1HB ASP 30 50.742 1.251 1.670
189 2HB ASP 30 2HB ASP 30 52.262 0.622 1.080
190 H GLY 31 H GLY 31 50.708 -1.895 -1.667
191 1HA GLY 31 1HA GLY 31 51.585 -2.397 -3.729
192 2HA GLY 31 2HA GLY 31 51.740 -0.673 -4.018
193 H GLY 32 H GLY 32 53.385 -0.903 -1.275
194 1HA GLY 32 1HA GLY 32 55.580 -1.724 -0.776
195 2HA GLY 32 2HA GLY 32 55.857 -1.907 -2.503
196 H ASP 33 H ASP 33 54.358 0.924 -1.111
197 HA ASP 33 HA ASP 33 56.504 2.560 -2.176
198 1HB ASP 33 1HB ASP 33 54.093 3.656 -0.770
199 2HB ASP 33 2HB ASP 33 55.027 4.346 -2.088
200 H CYS 34 H CYS 34 54.912 1.891 0.925
201 HA CYS 34 HA CYS 34 56.654 3.685 2.350
202 1HB CYS 34 1HB CYS 34 54.413 1.893 3.024
203 2HB CYS 34 2HB CYS 34 55.642 2.007 4.271
204 H SER 35 H SER 35 56.151 0.163 2.540
205 HA SER 35 HA SER 35 58.848 -0.550 2.243
206 1HB SER 35 1HB SER 35 58.856 0.648 4.528
207 2HB SER 35 2HB SER 35 58.004 -0.775 5.126
208 HG SER 35 HG SER 35 59.830 -1.977 4.129
Start of MODEL 7
1 1H GLU 1 1H GLU 1 37.960 -9.493 7.978
2 2H GLU 1 2H GLU 1 37.405 -8.342 6.833
3 3H GLU 1 3H GLU 1 36.626 -8.486 8.355
4 HA GLU 1 HA GLU 1 37.905 -6.628 8.571
5 1HB GLU 1 1HB GLU 1 38.472 -8.987 9.992
6 2HB GLU 1 2HB GLU 1 40.035 -8.247 9.674
7 1HG GLU 1 1HG GLU 1 39.710 -6.803 11.311
8 2HG GLU 1 2HG GLU 1 38.243 -6.215 10.530
9 H GLU 2 H GLU 2 39.613 -9.170 6.855
10 HA GLU 2 HA GLU 2 41.761 -7.335 6.123
11 1HB GLU 2 1HB GLU 2 42.371 -9.609 6.809
12 2HB GLU 2 2HB GLU 2 41.390 -10.272 5.510
13 1HG GLU 2 1HG GLU 2 43.015 -8.611 4.125
14 2HG GLU 2 2HG GLU 2 44.078 -9.101 5.444
15 H ALA 3 H ALA 3 40.023 -6.068 4.950
16 HA ALA 3 HA ALA 3 40.020 -6.909 2.154
17 1HB ALA 3 1HB ALA 3 37.518 -5.668 3.158
18 2HB ALA 3 2HB ALA 3 37.791 -7.377 3.501
19 3HB ALA 3 3HB ALA 3 37.763 -6.805 1.832
20 H CYS 4 H CYS 4 41.269 -4.828 4.014
21 HA CYS 4 HA CYS 4 42.015 -2.689 3.810
22 1HB CYS 4 1HB CYS 4 42.377 -3.580 1.480
23 2HB CYS 4 2HB CYS 4 40.867 -2.814 1.027
24 H GLU 5 H GLU 5 41.254 -0.684 4.347
25 HA GLU 5 HA GLU 5 38.386 -0.201 3.940
26 1HB GLU 5 1HB GLU 5 38.326 0.955 6.086
27 2HB GLU 5 2HB GLU 5 38.887 -0.698 6.294
28 1HG GLU 5 1HG GLU 5 41.251 0.383 6.106
29 2HG GLU 5 2HG GLU 5 40.392 1.859 6.545
30 H LEU 6 H LEU 6 41.022 0.640 2.573
31 HA LEU 6 HA LEU 6 40.401 3.517 2.525
32 1HB LEU 6 1HB LEU 6 42.994 2.084 2.667
33 2HB LEU 6 2HB LEU 6 42.922 3.536 1.685
34 HG LEU 6 HG LEU 6 41.758 4.422 3.975
35 1HD1 LEU 6 1HD1 LEU 6 43.815 2.367 4.764
36 2HD1 LEU 6 2HD1 LEU 6 42.107 2.389 5.202
37 3HD1 LEU 6 3HD1 LEU 6 43.195 3.626 5.832
38 1HD2 LEU 6 1HD2 LEU 6 43.378 5.788 3.120
39 2HD2 LEU 6 2HD2 LEU 6 44.531 4.472 2.899
40 3HD2 LEU 6 3HD2 LEU 6 44.241 5.131 4.510
41 HA PRO 7 HA PRO 7 39.469 2.299 -1.702
42 1HB PRO 7 1HB PRO 7 38.488 5.061 -1.872
43 2HB PRO 7 2HB PRO 7 37.609 3.549 -2.111
44 1HG PRO 7 1HG PRO 7 37.200 5.129 0.039
45 2HG PRO 7 2HG PRO 7 37.052 3.364 0.114
46 1HD PRO 7 1HD PRO 7 39.301 5.118 1.025
47 2HD PRO 7 2HD PRO 7 38.619 3.665 1.792
48 H GLU 8 H GLU 8 41.524 4.600 -0.312
49 HA GLU 8 HA GLU 8 42.402 5.820 -2.779
50 1HB GLU 8 1HB GLU 8 44.025 6.987 -1.413
51 2HB GLU 8 2HB GLU 8 42.445 7.054 -0.644
52 1HG GLU 8 1HG GLU 8 43.078 5.374 0.940
53 2HG GLU 8 2HG GLU 8 44.603 5.096 0.102
54 H CYS 9 H CYS 9 43.602 3.316 -0.573
55 HA CYS 9 HA CYS 9 46.138 2.952 -1.583
56 1HB CYS 9 1HB CYS 9 44.306 0.715 -0.710
57 2HB CYS 9 2HB CYS 9 46.069 0.737 -0.668
58 H GLN 10 H GLN 10 43.122 2.216 -3.105
59 HA GLN 10 HA GLN 10 43.935 0.214 -4.886
60 1HB GLN 10 1HB GLN 10 41.995 0.771 -6.186
61 2HB GLN 10 2HB GLN 10 41.577 0.932 -4.486
62 1HG GLN 10 1HG GLN 10 40.660 2.854 -5.220
63 2HG GLN 10 2HG GLN 10 42.300 3.450 -4.968
64 1HE2 GLN 10 1HE2 GLN 10 40.979 4.941 -6.598
65 2HE2 GLN 10 2HE2 GLN 10 41.368 4.653 -8.257
66 H GLU 11 H GLU 11 44.365 3.681 -4.932
67 HA GLU 11 HA GLU 11 45.817 3.435 -7.490
68 1HB GLU 11 1HB GLU 11 43.683 5.022 -7.109
69 2HB GLU 11 2HB GLU 11 44.940 6.110 -6.535
70 1HG GLU 11 1HG GLU 11 45.060 6.717 -8.682
71 2HG GLU 11 2HG GLU 11 46.042 5.261 -8.847
72 H ASP 12 H ASP 12 45.822 4.588 -4.219
73 HA ASP 12 HA ASP 12 48.219 6.058 -4.300
74 1HB ASP 12 1HB ASP 12 46.222 5.183 -2.371
75 2HB ASP 12 2HB ASP 12 47.824 5.237 -1.708
76 H ALA 13 H ALA 13 47.555 2.695 -4.254
77 HA ALA 13 HA ALA 13 50.027 1.931 -2.969
78 1HB ALA 13 1HB ALA 13 48.017 0.257 -4.473
79 2HB ALA 13 2HB ALA 13 48.042 0.528 -2.730
80 3HB ALA 13 3HB ALA 13 49.356 -0.358 -3.504
81 H GLY 14 H GLY 14 51.919 1.395 -3.936
82 1HA GLY 14 1HA GLY 14 53.467 1.039 -5.611
83 2HA GLY 14 2HA GLY 14 52.130 0.634 -6.673
84 H ASN 15 H ASN 15 52.819 3.688 -4.990
85 HA ASN 15 HA ASN 15 52.937 5.014 -7.596
86 1HB ASN 15 1HB ASN 15 52.144 7.025 -6.327
87 2HB ASN 15 2HB ASN 15 50.979 5.708 -6.400
88 1HD2 ASN 15 1HD2 ASN 15 50.219 7.175 -4.579
89 2HD2 ASN 15 2HD2 ASN 15 50.741 6.723 -2.991
90 H LYS 16 H LYS 16 54.973 3.826 -5.554
91 HA LYS 16 HA LYS 16 57.113 4.207 -4.997
92 1HB LYS 16 1HB LYS 16 57.157 6.799 -6.467
93 2HB LYS 16 2HB LYS 16 58.400 5.553 -6.358
94 1HG LYS 16 1HG LYS 16 55.907 5.555 -8.031
95 2HG LYS 16 2HG LYS 16 57.584 5.487 -8.556
96 1HD LYS 16 1HD LYS 16 57.567 3.279 -7.089
97 2HD LYS 16 2HD LYS 16 55.845 3.342 -7.473
98 1HE LYS 16 1HE LYS 16 56.498 2.198 -9.306
99 2HE LYS 16 2HE LYS 16 56.878 3.810 -9.910
100 1HZ LYS 16 1HZ LYS 16 59.074 3.425 -9.804
101 2HZ LYS 16 2HZ LYS 16 58.620 1.796 -9.863
102 3HZ LYS 16 3HZ LYS 16 58.976 2.522 -8.377
103 H VAL 17 H VAL 17 54.698 5.793 -3.755
104 HA VAL 17 HA VAL 17 56.229 7.837 -2.326
105 HB VAL 17 HB VAL 17 53.314 7.361 -1.825
106 1HG1 VAL 17 1HG1 VAL 17 54.463 10.059 -2.155
107 2HG1 VAL 17 2HG1 VAL 17 55.060 9.124 -0.784
108 3HG1 VAL 17 3HG1 VAL 17 53.334 9.445 -0.948
109 1HG2 VAL 17 1HG2 VAL 17 54.198 9.138 -4.073
110 2HG2 VAL 17 2HG2 VAL 17 52.589 8.510 -3.719
111 3HG2 VAL 17 3HG2 VAL 17 53.833 7.437 -4.355
112 H CYS 18 H CYS 18 54.162 7.422 -0.055
113 HA CYS 18 HA CYS 18 54.833 4.898 1.078
114 1HB CYS 18 1HB CYS 18 56.925 6.118 1.491
115 2HB CYS 18 2HB CYS 18 56.013 7.390 2.296
116 H SER 19 H SER 19 52.852 4.444 1.689
117 HA SER 19 HA SER 19 51.499 6.266 3.560
118 1HB SER 19 1HB SER 19 50.462 5.029 1.069
119 2HB SER 19 2HB SER 19 49.390 4.960 2.466
120 HG SER 19 HG SER 19 49.756 7.275 2.650
121 H LEU 20 H LEU 20 51.670 5.353 5.425
122 HA LEU 20 HA LEU 20 52.068 2.605 5.914
123 1HB LEU 20 1HB LEU 20 51.157 4.870 7.674
124 2HB LEU 20 2HB LEU 20 51.606 3.281 8.282
125 HG LEU 20 HG LEU 20 53.517 4.856 6.616
126 1HD1 LEU 20 1HD1 LEU 20 53.434 5.108 9.604
127 2HD1 LEU 20 2HD1 LEU 20 52.583 6.241 8.552
128 3HD1 LEU 20 3HD1 LEU 20 54.335 6.075 8.436
129 1HD2 LEU 20 1HD2 LEU 20 55.016 3.618 8.422
130 2HD2 LEU 20 2HD2 LEU 20 54.460 2.812 6.955
131 3HD2 LEU 20 3HD2 LEU 20 53.614 2.551 8.480
132 H GLN 21 H GLN 21 49.260 4.670 5.879
133 HA GLN 21 HA GLN 21 47.442 2.814 7.013
134 1HB GLN 21 1HB GLN 21 45.918 4.446 5.321
135 2HB GLN 21 2HB GLN 21 46.166 4.638 7.045
136 1HG GLN 21 1HG GLN 21 46.619 6.713 5.973
137 2HG GLN 21 2HG GLN 21 48.143 6.049 6.557
138 1HE2 GLN 21 1HE2 GLN 21 46.232 5.367 3.647
139 2HE2 GLN 21 2HE2 GLN 21 47.494 5.750 2.521
140 H CYS 22 H CYS 22 49.065 2.686 4.092
141 HA CYS 22 HA CYS 22 46.962 0.989 2.922
142 1HB CYS 22 1HB CYS 22 49.005 2.787 1.629
143 2HB CYS 22 2HB CYS 22 48.239 1.480 0.736
144 H ASN 23 H ASN 23 50.139 1.208 4.153
145 HA ASN 23 HA ASN 23 51.289 -0.986 2.802
146 1HB ASN 23 1HB ASN 23 52.296 1.104 4.001
147 2HB ASN 23 2HB ASN 23 52.189 0.085 5.430
148 1HD2 ASN 23 1HD2 ASN 23 54.505 0.956 4.775
149 2HD2 ASN 23 2HD2 ASN 23 55.501 -0.282 4.091
150 H ASN 24 H ASN 24 48.967 -2.040 3.623
151 HA ASN 24 HA ASN 24 49.739 -3.645 5.951
152 1HB ASN 24 1HB ASN 24 47.056 -4.059 5.809
153 2HB ASN 24 2HB ASN 24 47.850 -2.965 6.911
154 1HD2 ASN 24 1HD2 ASN 24 48.387 -0.773 5.641
155 2HD2 ASN 24 2HD2 ASN 24 46.998 -0.078 4.873
156 H HIS 25 H HIS 25 48.267 -5.653 6.008
157 HA HIS 25 HA HIS 25 49.075 -7.214 3.728
158 1HB HIS 25 1HB HIS 25 49.422 -8.043 5.971
159 2HB HIS 25 2HB HIS 25 47.706 -7.883 6.333
160 HD1 HIS 25 HD1 HIS 25 47.777 -10.488 6.902
161 HD2 HIS 25 HD2 HIS 25 48.479 -9.484 2.937
162 HE1 HIS 25 HE1 HIS 25 47.507 -12.632 5.612
163 HE2 HIS 25 HE2 HIS 25 47.843 -11.981 3.200
164 H ALA 26 H ALA 26 46.181 -5.842 5.078
165 HA ALA 26 HA ALA 26 44.445 -7.403 3.359
166 1HB ALA 26 1HB ALA 26 42.624 -6.190 4.499
167 2HB ALA 26 2HB ALA 26 43.836 -5.291 5.412
168 3HB ALA 26 3HB ALA 26 43.702 -7.040 5.606
169 H CYS 27 H CYS 27 46.101 -4.380 3.146
170 HA CYS 27 HA CYS 27 44.116 -3.410 1.209
171 1HB CYS 27 1HB CYS 27 46.222 -2.083 2.839
172 2HB CYS 27 2HB CYS 27 45.830 -1.378 1.276
173 H GLY 28 H GLY 28 47.350 -4.629 1.514
174 1HA GLY 28 1HA GLY 28 48.045 -5.758 -0.634
175 2HA GLY 28 2HA GLY 28 47.723 -4.205 -1.390
176 H TRP 29 H TRP 29 48.950 -3.646 1.659
177 HA TRP 29 HA TRP 29 50.917 -3.039 2.482
178 1HB TRP 29 1HB TRP 29 51.965 -4.796 0.254
179 2HB TRP 29 2HB TRP 29 53.004 -4.030 1.451
180 HD1 TRP 29 HD1 TRP 29 51.451 -7.235 0.905
181 HE1 TRP 29 HE1 TRP 29 51.145 -8.477 3.145
182 HE3 TRP 29 HE3 TRP 29 52.107 -3.379 4.099
183 HZ2 TRP 29 HZ2 TRP 29 51.187 -7.902 5.846
184 HZ3 TRP 29 HZ3 TRP 29 51.913 -3.752 6.491
185 HH2 TRP 29 HH2 TRP 29 51.476 -6.005 7.374
186 H ASP 30 H ASP 30 49.537 -1.328 0.832
187 HA ASP 30 HA ASP 30 49.687 0.538 -0.457
188 1HB ASP 30 1HB ASP 30 50.842 1.220 1.610
189 2HB ASP 30 2HB ASP 30 52.367 0.692 0.933
190 H GLY 31 H GLY 31 50.704 -1.965 -1.665
191 1HA GLY 31 1HA GLY 31 51.585 -2.580 -3.687
192 2HA GLY 31 2HA GLY 31 51.678 -0.873 -4.080
193 H GLY 32 H GLY 32 53.409 -1.168 -1.295
194 1HA GLY 32 1HA GLY 32 55.650 -1.820 -0.882
195 2HA GLY 32 2HA GLY 32 55.871 -2.054 -2.613
196 H ASP 33 H ASP 33 54.326 0.742 -1.237
197 HA ASP 33 HA ASP 33 56.285 2.468 -2.481
198 1HB ASP 33 1HB ASP 33 53.777 3.144 -0.940
199 2HB ASP 33 2HB ASP 33 54.721 4.242 -1.931
200 H CYS 34 H CYS 34 54.953 1.870 0.755
201 HA CYS 34 HA CYS 34 56.803 3.701 1.989
202 1HB CYS 34 1HB CYS 34 54.600 1.957 2.883
203 2HB CYS 34 2HB CYS 34 55.915 2.101 4.036
204 H SER 35 H SER 35 56.289 0.189 2.320
205 HA SER 35 HA SER 35 57.711 -1.545 2.708
206 1HB SER 35 1HB SER 35 59.339 0.348 1.101
207 2HB SER 35 2HB SER 35 60.218 -0.926 1.946
208 HG SER 35 HG SER 35 59.648 -2.082 0.284
Start of MODEL 8
1 1H GLU 1 1H GLU 1 38.975 -4.940 8.212
2 2H GLU 1 2H GLU 1 40.131 -5.873 9.071
3 3H GLU 1 3H GLU 1 38.480 -5.909 9.536
4 HA GLU 1 HA GLU 1 38.762 -7.853 8.410
5 1HB GLU 1 1HB GLU 1 37.821 -5.811 6.385
6 2HB GLU 1 2HB GLU 1 37.446 -7.527 6.371
7 1HG GLU 1 1HG GLU 1 36.075 -7.352 8.271
8 2HG GLU 1 2HG GLU 1 36.691 -5.748 8.663
9 H GLU 2 H GLU 2 39.451 -9.002 6.422
10 HA GLU 2 HA GLU 2 42.094 -8.056 5.611
11 1HB GLU 2 1HB GLU 2 41.284 -10.504 6.443
12 2HB GLU 2 2HB GLU 2 41.148 -10.704 4.701
13 1HG GLU 2 1HG GLU 2 43.416 -10.406 4.356
14 2HG GLU 2 2HG GLU 2 43.643 -9.582 5.898
15 H ALA 3 H ALA 3 40.082 -6.601 4.458
16 HA ALA 3 HA ALA 3 40.392 -7.330 1.647
17 1HB ALA 3 1HB ALA 3 38.173 -7.335 1.115
18 2HB ALA 3 2HB ALA 3 37.741 -6.264 2.448
19 3HB ALA 3 3HB ALA 3 38.077 -7.968 2.759
20 H CYS 4 H CYS 4 41.371 -5.272 3.668
21 HA CYS 4 HA CYS 4 42.013 -3.091 3.608
22 1HB CYS 4 1HB CYS 4 42.581 -3.852 1.277
23 2HB CYS 4 2HB CYS 4 41.066 -3.150 0.749
24 H GLU 5 H GLU 5 41.106 -1.174 4.202
25 HA GLU 5 HA GLU 5 38.257 -0.800 3.596
26 1HB GLU 5 1HB GLU 5 37.960 0.204 5.787
27 2HB GLU 5 2HB GLU 5 38.631 -1.411 5.960
28 1HG GLU 5 1HG GLU 5 40.899 0.034 5.902
29 2HG GLU 5 2HG GLU 5 39.796 1.209 6.618
30 H LEU 6 H LEU 6 40.931 0.224 2.470
31 HA LEU 6 HA LEU 6 40.229 3.083 2.577
32 1HB LEU 6 1HB LEU 6 42.850 1.687 2.662
33 2HB LEU 6 2HB LEU 6 42.763 3.225 1.823
34 HG LEU 6 HG LEU 6 41.728 4.148 3.980
35 1HD1 LEU 6 1HD1 LEU 6 41.169 2.146 5.126
36 2HD1 LEU 6 2HD1 LEU 6 42.495 2.896 6.016
37 3HD1 LEU 6 3HD1 LEU 6 42.809 1.517 4.962
38 1HD2 LEU 6 1HD2 LEU 6 44.093 4.464 3.097
39 2HD2 LEU 6 2HD2 LEU 6 44.572 3.220 4.252
40 3HD2 LEU 6 3HD2 LEU 6 43.845 4.721 4.824
41 HA PRO 7 HA PRO 7 39.444 2.152 -1.754
42 1HB PRO 7 1HB PRO 7 38.422 4.906 -1.757
43 2HB PRO 7 2HB PRO 7 37.577 3.402 -2.132
44 1HG PRO 7 1HG PRO 7 37.074 4.818 0.110
45 2HG PRO 7 2HG PRO 7 36.953 3.050 0.053
46 1HD PRO 7 1HD PRO 7 39.142 4.767 1.161
47 2HD PRO 7 2HD PRO 7 38.462 3.252 1.800
48 H GLU 8 H GLU 8 41.382 4.415 -0.129
49 HA GLU 8 HA GLU 8 42.337 5.817 -2.463
50 1HB GLU 8 1HB GLU 8 44.004 6.773 -0.889
51 2HB GLU 8 2HB GLU 8 42.341 6.983 -0.358
52 1HG GLU 8 1HG GLU 8 42.560 5.239 1.255
53 2HG GLU 8 2HG GLU 8 44.142 4.784 0.624
54 H CYS 9 H CYS 9 43.508 3.173 -0.405
55 HA CYS 9 HA CYS 9 46.074 2.927 -1.404
56 1HB CYS 9 1HB CYS 9 44.284 0.620 -0.629
57 2HB CYS 9 2HB CYS 9 46.048 0.671 -0.585
58 H GLN 10 H GLN 10 43.074 2.199 -2.954
59 HA GLN 10 HA GLN 10 43.946 0.299 -4.826
60 1HB GLN 10 1HB GLN 10 41.634 2.085 -4.505
61 2HB GLN 10 2HB GLN 10 42.013 1.696 -6.178
62 1HG GLN 10 1HG GLN 10 41.948 -0.555 -4.262
63 2HG GLN 10 2HG GLN 10 40.409 0.205 -4.666
64 1HE2 GLN 10 1HE2 GLN 10 40.573 0.803 -7.239
65 2HE2 GLN 10 2HE2 GLN 10 40.837 -0.604 -8.205
66 H GLU 11 H GLU 11 44.275 3.775 -4.698
67 HA GLU 11 HA GLU 11 45.653 3.705 -7.307
68 1HB GLU 11 1HB GLU 11 43.864 5.730 -6.049
69 2HB GLU 11 2HB GLU 11 45.194 6.318 -7.038
70 1HG GLU 11 1HG GLU 11 43.958 4.254 -8.496
71 2HG GLU 11 2HG GLU 11 42.667 5.262 -7.845
72 H ASP 12 H ASP 12 45.734 4.686 -3.982
73 HA ASP 12 HA ASP 12 48.092 6.218 -4.064
74 1HB ASP 12 1HB ASP 12 46.171 5.209 -2.122
75 2HB ASP 12 2HB ASP 12 47.790 5.273 -1.502
76 H ALA 13 H ALA 13 47.427 2.803 -3.795
77 HA ALA 13 HA ALA 13 49.971 2.059 -2.737
78 1HB ALA 13 1HB ALA 13 49.329 -0.230 -3.386
79 2HB ALA 13 2HB ALA 13 47.919 0.421 -4.223
80 3HB ALA 13 3HB ALA 13 48.063 0.591 -2.473
81 H GLY 14 H GLY 14 51.856 2.125 -3.764
82 1HA GLY 14 1HA GLY 14 53.385 1.685 -5.471
83 2HA GLY 14 2HA GLY 14 52.049 1.255 -6.525
84 H ASN 15 H ASN 15 52.600 4.277 -4.751
85 HA ASN 15 HA ASN 15 52.626 5.702 -7.307
86 1HB ASN 15 1HB ASN 15 51.795 7.635 -5.966
87 2HB ASN 15 2HB ASN 15 50.678 6.276 -6.003
88 1HD2 ASN 15 1HD2 ASN 15 49.811 7.422 -4.118
89 2HD2 ASN 15 2HD2 ASN 15 50.492 7.071 -2.565
90 H LYS 16 H LYS 16 54.750 4.480 -5.410
91 HA LYS 16 HA LYS 16 56.897 4.882 -4.910
92 1HB LYS 16 1HB LYS 16 56.807 7.583 -6.168
93 2HB LYS 16 2HB LYS 16 58.096 6.382 -6.193
94 1HG LYS 16 1HG LYS 16 55.556 6.419 -7.790
95 2HG LYS 16 2HG LYS 16 57.217 6.447 -8.363
96 1HD LYS 16 1HD LYS 16 57.308 4.136 -7.060
97 2HD LYS 16 2HD LYS 16 55.578 4.169 -7.411
98 1HE LYS 16 1HE LYS 16 55.888 3.891 -9.635
99 2HE LYS 16 2HE LYS 16 57.372 4.842 -9.656
100 1HZ LYS 16 1HZ LYS 16 57.156 2.074 -8.604
101 2HZ LYS 16 2HZ LYS 16 58.573 2.984 -8.753
102 3HZ LYS 16 3HZ LYS 16 57.745 2.480 -10.138
103 H VAL 17 H VAL 17 54.483 6.247 -3.461
104 HA VAL 17 HA VAL 17 55.993 8.218 -1.908
105 HB VAL 17 HB VAL 17 53.081 7.639 -1.458
106 1HG1 VAL 17 1HG1 VAL 17 54.197 10.373 -1.446
107 2HG1 VAL 17 2HG1 VAL 17 54.787 9.289 -0.186
108 3HG1 VAL 17 3HG1 VAL 17 53.059 9.606 -0.338
109 1HG2 VAL 17 1HG2 VAL 17 53.641 8.027 -3.951
110 2HG2 VAL 17 2HG2 VAL 17 53.970 9.687 -3.460
111 3HG2 VAL 17 3HG2 VAL 17 52.367 8.996 -3.212
112 H CYS 18 H CYS 18 53.926 7.551 0.322
113 HA CYS 18 HA CYS 18 54.691 4.989 1.288
114 1HB CYS 18 1HB CYS 18 56.748 6.211 1.788
115 2HB CYS 18 2HB CYS 18 55.814 7.453 2.610
116 H SER 19 H SER 19 52.726 4.439 1.883
117 HA SER 19 HA SER 19 51.318 6.124 3.843
118 1HB SER 19 1HB SER 19 49.283 4.717 2.657
119 2HB SER 19 2HB SER 19 49.721 6.375 2.244
120 HG SER 19 HG SER 19 50.826 5.656 0.495
121 H LEU 20 H LEU 20 51.527 5.150 5.669
122 HA LEU 20 HA LEU 20 52.028 2.403 6.057
123 1HB LEU 20 1HB LEU 20 51.037 4.566 7.900
124 2HB LEU 20 2HB LEU 20 51.543 2.973 8.449
125 HG LEU 20 HG LEU 20 53.397 4.670 6.841
126 1HD1 LEU 20 1HD1 LEU 20 54.246 5.741 8.810
127 2HD1 LEU 20 2HD1 LEU 20 53.121 4.848 9.836
128 3HD1 LEU 20 3HD1 LEU 20 52.514 6.060 8.706
129 1HD2 LEU 20 1HD2 LEU 20 55.019 3.252 7.552
130 2HD2 LEU 20 2HD2 LEU 20 53.646 2.154 7.694
131 3HD2 LEU 20 3HD2 LEU 20 54.257 2.991 9.121
132 H GLN 21 H GLN 21 49.148 4.367 6.109
133 HA GLN 21 HA GLN 21 47.400 2.399 7.162
134 1HB GLN 21 1HB GLN 21 45.810 4.056 5.562
135 2HB GLN 21 2HB GLN 21 46.072 4.183 7.291
136 1HG GLN 21 1HG GLN 21 46.444 6.314 6.297
137 2HG GLN 21 2HG GLN 21 47.993 5.680 6.845
138 1HE2 GLN 21 1HE2 GLN 21 46.077 5.071 3.922
139 2HE2 GLN 21 2HE2 GLN 21 47.321 5.531 2.805
140 H CYS 22 H CYS 22 49.012 2.472 4.235
141 HA CYS 22 HA CYS 22 46.967 0.762 2.985
142 1HB CYS 22 1HB CYS 22 48.951 2.678 1.771
143 2HB CYS 22 2HB CYS 22 48.201 1.401 0.822
144 H ASN 23 H ASN 23 50.132 1.019 4.231
145 HA ASN 23 HA ASN 23 51.357 -1.059 2.765
146 1HB ASN 23 1HB ASN 23 52.298 0.994 4.067
147 2HB ASN 23 2HB ASN 23 52.212 -0.092 5.449
148 1HD2 ASN 23 1HD2 ASN 23 54.505 0.865 4.877
149 2HD2 ASN 23 2HD2 ASN 23 55.546 -0.306 4.143
150 H ASN 24 H ASN 24 49.067 -2.227 3.523
151 HA ASN 24 HA ASN 24 49.883 -3.932 5.764
152 1HB ASN 24 1HB ASN 24 47.214 -4.415 5.590
153 2HB ASN 24 2HB ASN 24 47.973 -3.359 6.752
154 1HD2 ASN 24 1HD2 ASN 24 48.448 -1.088 5.611
155 2HD2 ASN 24 2HD2 ASN 24 47.043 -0.392 4.873
156 H HIS 25 H HIS 25 48.472 -5.981 5.709
157 HA HIS 25 HA HIS 25 49.328 -7.398 3.353
158 1HB HIS 25 1HB HIS 25 49.695 -8.330 5.555
159 2HB HIS 25 2HB HIS 25 47.973 -8.244 5.913
160 HD1 HIS 25 HD1 HIS 25 48.140 -10.873 6.347
161 HD2 HIS 25 HD2 HIS 25 48.799 -9.636 2.441
162 HE1 HIS 25 HE1 HIS 25 47.940 -12.953 4.945
163 HE2 HIS 25 HE2 HIS 25 48.248 -12.164 2.570
164 H ALA 26 H ALA 26 46.396 -6.176 4.760
165 HA ALA 26 HA ALA 26 44.705 -7.702 2.968
166 1HB ALA 26 1HB ALA 26 42.854 -6.556 4.156
167 2HB ALA 26 2HB ALA 26 44.062 -5.723 5.135
168 3HB ALA 26 3HB ALA 26 43.928 -7.480 5.207
169 H CYS 27 H CYS 27 46.269 -4.620 2.911
170 HA CYS 27 HA CYS 27 44.264 -3.625 1.008
171 1HB CYS 27 1HB CYS 27 46.325 -2.310 2.709
172 2HB CYS 27 2HB CYS 27 45.901 -1.541 1.182
173 H GLY 28 H GLY 28 47.535 -4.757 1.274
174 1HA GLY 28 1HA GLY 28 48.272 -5.760 -0.921
175 2HA GLY 28 2HA GLY 28 47.907 -4.182 -1.605
176 H TRP 29 H TRP 29 49.105 -3.729 1.474
177 HA TRP 29 HA TRP 29 51.050 -3.106 2.335
178 1HB TRP 29 1HB TRP 29 52.160 -4.716 0.026
179 2HB TRP 29 2HB TRP 29 53.169 -3.982 1.268
180 HD1 TRP 29 HD1 TRP 29 51.714 -7.199 0.545
181 HE1 TRP 29 HE1 TRP 29 51.437 -8.567 2.715
182 HE3 TRP 29 HE3 TRP 29 52.243 -3.500 3.942
183 HZ2 TRP 29 HZ2 TRP 29 51.454 -8.134 5.442
184 HZ3 TRP 29 HZ3 TRP 29 52.052 -4.006 6.310
185 HH2 TRP 29 HH2 TRP 29 51.681 -6.314 7.071
186 H ASP 30 H ASP 30 49.622 -1.363 0.759
187 HA ASP 30 HA ASP 30 49.717 0.557 -0.462
188 1HB ASP 30 1HB ASP 30 50.814 1.172 1.670
189 2HB ASP 30 2HB ASP 30 52.368 0.773 0.974
190 H GLY 31 H GLY 31 50.825 -1.829 -1.771
191 1HA GLY 31 1HA GLY 31 51.794 -2.335 -3.782
192 2HA GLY 31 2HA GLY 31 51.799 -0.613 -4.114
193 H GLY 32 H GLY 32 53.500 -1.150 -1.275
194 1HA GLY 32 1HA GLY 32 55.766 -1.610 -0.861
195 2HA GLY 32 2HA GLY 32 56.024 -1.772 -2.595
196 H ASP 33 H ASP 33 54.331 0.882 -1.127
197 HA ASP 33 HA ASP 33 56.194 2.764 -2.297
198 1HB ASP 33 1HB ASP 33 53.497 2.928 -1.018
199 2HB ASP 33 2HB ASP 33 54.461 4.382 -1.203
200 H CYS 34 H CYS 34 54.906 1.975 0.914
201 HA CYS 34 HA CYS 34 56.680 3.830 2.218
202 1HB CYS 34 1HB CYS 34 54.540 1.974 3.038
203 2HB CYS 34 2HB CYS 34 55.846 2.120 4.202
204 H SER 35 H SER 35 56.297 0.293 2.390
205 HA SER 35 HA SER 35 59.006 -0.315 1.947
206 1HB SER 35 1HB SER 35 59.512 0.663 4.071
207 2HB SER 35 2HB SER 35 58.159 -0.163 4.844
208 HG SER 35 HG SER 35 60.344 -1.092 5.131
Start of MODEL 9
1 1H GLU 1 1H GLU 1 40.353 -7.873 9.821
2 2H GLU 1 2H GLU 1 39.624 -9.215 9.037
3 3H GLU 1 3H GLU 1 38.700 -8.232 10.098
4 HA GLU 1 HA GLU 1 38.162 -7.737 7.860
5 1HB GLU 1 1HB GLU 1 38.639 -5.316 7.960
6 2HB GLU 1 2HB GLU 1 38.110 -5.950 9.512
7 1HG GLU 1 1HG GLU 1 40.980 -6.054 9.278
8 2HG GLU 1 2HG GLU 1 40.374 -4.422 8.994
9 H GLU 2 H GLU 2 39.442 -9.139 6.476
10 HA GLU 2 HA GLU 2 41.935 -7.965 5.484
11 1HB GLU 2 1HB GLU 2 42.164 -10.154 4.271
12 2HB GLU 2 2HB GLU 2 42.163 -10.279 6.025
13 1HG GLU 2 1HG GLU 2 39.494 -10.517 4.952
14 2HG GLU 2 2HG GLU 2 40.587 -11.702 4.240
15 H ALA 3 H ALA 3 40.072 -6.342 4.691
16 HA ALA 3 HA ALA 3 39.762 -6.926 1.849
17 1HB ALA 3 1HB ALA 3 37.466 -6.210 1.791
18 2HB ALA 3 2HB ALA 3 37.498 -5.849 3.518
19 3HB ALA 3 3HB ALA 3 37.627 -7.519 2.963
20 H CYS 4 H CYS 4 41.332 -5.108 3.750
21 HA CYS 4 HA CYS 4 42.221 -3.013 3.648
22 1HB CYS 4 1HB CYS 4 42.317 -3.690 1.234
23 2HB CYS 4 2HB CYS 4 40.802 -2.841 0.990
24 H GLU 5 H GLU 5 41.676 -0.909 4.256
25 HA GLU 5 HA GLU 5 38.800 -0.329 4.354
26 1HB GLU 5 1HB GLU 5 39.067 0.690 6.507
27 2HB GLU 5 2HB GLU 5 39.795 -0.910 6.573
28 1HG GLU 5 1HG GLU 5 41.983 0.410 5.976
29 2HG GLU 5 2HG GLU 5 41.084 1.769 6.649
30 H LEU 6 H LEU 6 41.275 0.489 2.641
31 HA LEU 6 HA LEU 6 40.566 3.340 2.593
32 1HB LEU 6 1HB LEU 6 43.260 2.059 2.652
33 2HB LEU 6 2HB LEU 6 43.048 3.563 1.777
34 HG LEU 6 HG LEU 6 43.857 4.131 3.929
35 1HD1 LEU 6 1HD1 LEU 6 42.390 5.767 4.402
36 2HD1 LEU 6 2HD1 LEU 6 41.034 4.651 4.554
37 3HD1 LEU 6 3HD1 LEU 6 41.569 5.175 2.958
38 1HD2 LEU 6 1HD2 LEU 6 42.347 1.851 4.757
39 2HD2 LEU 6 2HD2 LEU 6 41.916 3.243 5.751
40 3HD2 LEU 6 3HD2 LEU 6 43.600 2.736 5.626
41 HA PRO 7 HA PRO 7 39.708 1.945 -1.603
42 1HB PRO 7 1HB PRO 7 38.539 4.626 -1.848
43 2HB PRO 7 2HB PRO 7 37.763 3.052 -2.036
44 1HG PRO 7 1HG PRO 7 37.257 4.671 0.066
45 2HG PRO 7 2HG PRO 7 37.221 2.903 0.193
46 1HD PRO 7 1HD PRO 7 39.355 4.822 1.047
47 2HD PRO 7 2HD PRO 7 38.767 3.350 1.857
48 H GLU 8 H GLU 8 41.531 4.474 -0.264
49 HA GLU 8 HA GLU 8 42.346 5.765 -2.683
50 1HB GLU 8 1HB GLU 8 44.148 6.729 -1.223
51 2HB GLU 8 2HB GLU 8 42.508 7.014 -0.660
52 1HG GLU 8 1HG GLU 8 42.712 5.381 1.041
53 2HG GLU 8 2HG GLU 8 44.222 4.771 0.367
54 H CYS 9 H CYS 9 43.671 3.165 -0.680
55 HA CYS 9 HA CYS 9 46.189 2.907 -1.743
56 1HB CYS 9 1HB CYS 9 44.436 0.526 -1.148
57 2HB CYS 9 2HB CYS 9 46.187 0.656 -0.998
58 H GLN 10 H GLN 10 43.153 2.176 -3.264
59 HA GLN 10 HA GLN 10 43.944 0.396 -5.244
60 1HB GLN 10 1HB GLN 10 41.604 1.480 -4.629
61 2HB GLN 10 2HB GLN 10 42.024 2.569 -5.943
62 1HG GLN 10 1HG GLN 10 42.417 0.488 -7.342
63 2HG GLN 10 2HG GLN 10 41.613 -0.399 -6.047
64 1HE2 GLN 10 1HE2 GLN 10 41.123 0.926 -8.960
65 2HE2 GLN 10 2HE2 GLN 10 39.439 1.297 -8.856
66 H GLU 11 H GLU 11 44.364 3.874 -5.030
67 HA GLU 11 HA GLU 11 45.836 3.804 -7.586
68 1HB GLU 11 1HB GLU 11 44.008 5.826 -6.395
69 2HB GLU 11 2HB GLU 11 45.398 6.429 -7.287
70 1HG GLU 11 1HG GLU 11 44.408 4.520 -8.975
71 2HG GLU 11 2HG GLU 11 42.945 5.184 -8.249
72 H ASP 12 H ASP 12 45.822 4.713 -4.244
73 HA ASP 12 HA ASP 12 48.202 6.227 -4.239
74 1HB ASP 12 1HB ASP 12 46.190 5.260 -2.374
75 2HB ASP 12 2HB ASP 12 47.785 5.287 -1.690
76 H ALA 13 H ALA 13 47.466 2.816 -3.929
77 HA ALA 13 HA ALA 13 49.984 2.067 -2.812
78 1HB ALA 13 1HB ALA 13 49.322 -0.217 -3.305
79 2HB ALA 13 2HB ALA 13 48.002 0.365 -4.319
80 3HB ALA 13 3HB ALA 13 47.979 0.666 -2.582
81 H GLY 14 H GLY 14 51.890 2.014 -3.805
82 1HA GLY 14 1HA GLY 14 53.430 1.513 -5.478
83 2HA GLY 14 2HA GLY 14 52.100 1.082 -6.540
84 H ASN 15 H ASN 15 52.697 4.143 -4.847
85 HA ASN 15 HA ASN 15 52.810 5.488 -7.444
86 1HB ASN 15 1HB ASN 15 51.971 7.474 -6.193
87 2HB ASN 15 2HB ASN 15 50.835 6.130 -6.209
88 1HD2 ASN 15 1HD2 ASN 15 49.954 7.384 -4.390
89 2HD2 ASN 15 2HD2 ASN 15 50.586 7.071 -2.809
90 H LYS 16 H LYS 16 54.864 4.286 -5.469
91 HA LYS 16 HA LYS 16 57.001 4.669 -4.918
92 1HB LYS 16 1HB LYS 16 56.992 7.338 -6.246
93 2HB LYS 16 2HB LYS 16 58.261 6.115 -6.204
94 1HG LYS 16 1HG LYS 16 55.767 6.154 -7.874
95 2HG LYS 16 2HG LYS 16 57.445 6.136 -8.398
96 1HD LYS 16 1HD LYS 16 57.349 3.858 -6.938
97 2HD LYS 16 2HD LYS 16 55.703 3.923 -7.573
98 1HE LYS 16 1HE LYS 16 56.636 2.874 -9.340
99 2HE LYS 16 2HE LYS 16 57.090 4.513 -9.803
100 1HZ LYS 16 1HZ LYS 16 59.166 3.963 -8.336
101 2HZ LYS 16 2HZ LYS 16 59.090 3.456 -9.948
102 3HZ LYS 16 3HZ LYS 16 58.752 2.364 -8.702
103 H VAL 17 H VAL 17 54.575 6.105 -3.565
104 HA VAL 17 HA VAL 17 56.077 8.093 -2.026
105 HB VAL 17 HB VAL 17 53.145 7.572 -1.639
106 1HG1 VAL 17 1HG1 VAL 17 54.311 10.285 -1.650
107 2HG1 VAL 17 2HG1 VAL 17 54.844 9.216 -0.353
108 3HG1 VAL 17 3HG1 VAL 17 53.127 9.562 -0.561
109 1HG2 VAL 17 1HG2 VAL 17 52.504 8.905 -3.439
110 2HG2 VAL 17 2HG2 VAL 17 53.777 7.896 -4.122
111 3HG2 VAL 17 3HG2 VAL 17 54.126 9.560 -3.658
112 H CYS 18 H CYS 18 53.930 7.502 0.158
113 HA CYS 18 HA CYS 18 54.658 4.962 1.216
114 1HB CYS 18 1HB CYS 18 56.691 6.207 1.757
115 2HB CYS 18 2HB CYS 18 55.723 7.464 2.516
116 H SER 19 H SER 19 52.677 4.419 1.758
117 HA SER 19 HA SER 19 51.175 6.164 3.591
118 1HB SER 19 1HB SER 19 50.297 4.848 1.079
119 2HB SER 19 2HB SER 19 49.182 4.733 2.441
120 HG SER 19 HG SER 19 50.333 7.187 1.636
121 H LEU 20 H LEU 20 51.326 5.284 5.469
122 HA LEU 20 HA LEU 20 51.844 2.558 5.998
123 1HB LEU 20 1HB LEU 20 50.803 4.800 7.714
124 2HB LEU 20 2HB LEU 20 51.311 3.239 8.347
125 HG LEU 20 HG LEU 20 53.186 4.858 6.689
126 1HD1 LEU 20 1HD1 LEU 20 52.229 5.499 9.410
127 2HD1 LEU 20 2HD1 LEU 20 52.878 6.555 8.155
128 3HD1 LEU 20 3HD1 LEU 20 53.970 5.583 9.141
129 1HD2 LEU 20 1HD2 LEU 20 54.273 2.925 7.118
130 2HD2 LEU 20 2HD2 LEU 20 53.313 2.578 8.556
131 3HD2 LEU 20 3HD2 LEU 20 54.647 3.729 8.643
132 H GLN 21 H GLN 21 48.951 4.506 5.881
133 HA GLN 21 HA GLN 21 47.202 2.556 6.983
134 1HB GLN 21 1HB GLN 21 45.587 4.124 5.355
135 2HB GLN 21 2HB GLN 21 45.898 4.363 7.064
136 1HG GLN 21 1HG GLN 21 46.210 6.428 5.905
137 2HG GLN 21 2HG GLN 21 47.772 5.856 6.485
138 1HE2 GLN 21 1HE2 GLN 21 45.842 5.010 3.631
139 2HE2 GLN 21 2HE2 GLN 21 47.069 5.406 2.473
140 H CYS 22 H CYS 22 48.876 2.528 4.103
141 HA CYS 22 HA CYS 22 46.857 0.779 2.864
142 1HB CYS 22 1HB CYS 22 48.835 2.690 1.640
143 2HB CYS 22 2HB CYS 22 48.175 1.348 0.712
144 H ASN 23 H ASN 23 49.986 1.077 4.183
145 HA ASN 23 HA ASN 23 51.251 -1.041 2.805
146 1HB ASN 23 1HB ASN 23 52.158 1.048 4.075
147 2HB ASN 23 2HB ASN 23 52.031 0.004 5.485
148 1HD2 ASN 23 1HD2 ASN 23 54.340 0.952 4.932
149 2HD2 ASN 23 2HD2 ASN 23 55.399 -0.245 4.270
150 H ASN 24 H ASN 24 48.911 -2.158 3.566
151 HA ASN 24 HA ASN 24 49.694 -3.825 5.849
152 1HB ASN 24 1HB ASN 24 47.021 -4.282 5.670
153 2HB ASN 24 2HB ASN 24 47.783 -3.204 6.810
154 1HD2 ASN 24 1HD2 ASN 24 48.280 -0.963 5.615
155 2HD2 ASN 24 2HD2 ASN 24 46.884 -0.278 4.851
156 H HIS 25 H HIS 25 48.241 -5.853 5.823
157 HA HIS 25 HA HIS 25 49.099 -7.334 3.506
158 1HB HIS 25 1HB HIS 25 49.422 -8.226 5.731
159 2HB HIS 25 2HB HIS 25 47.697 -8.100 6.067
160 HD1 HIS 25 HD1 HIS 25 47.803 -10.722 6.556
161 HD2 HIS 25 HD2 HIS 25 48.544 -9.581 2.638
162 HE1 HIS 25 HE1 HIS 25 47.584 -12.827 5.196
163 HE2 HIS 25 HE2 HIS 25 48.136 -12.131 2.837
164 H ALA 26 H ALA 26 46.175 -6.031 4.858
165 HA ALA 26 HA ALA 26 44.470 -7.550 3.072
166 1HB ALA 26 1HB ALA 26 42.628 -6.517 4.244
167 2HB ALA 26 2HB ALA 26 43.743 -5.445 5.092
168 3HB ALA 26 3HB ALA 26 43.792 -7.183 5.389
169 H CYS 27 H CYS 27 46.127 -4.533 2.957
170 HA CYS 27 HA CYS 27 44.156 -3.499 1.036
171 1HB CYS 27 1HB CYS 27 46.242 -2.228 2.740
172 2HB CYS 27 2HB CYS 27 45.865 -1.467 1.198
173 H GLY 28 H GLY 28 47.396 -4.709 1.348
174 1HA GLY 28 1HA GLY 28 48.131 -5.771 -0.821
175 2HA GLY 28 2HA GLY 28 47.803 -4.201 -1.540
176 H TRP 29 H TRP 29 48.981 -3.712 1.537
177 HA TRP 29 HA TRP 29 50.927 -3.106 2.408
178 1HB TRP 29 1HB TRP 29 52.030 -4.793 0.154
179 2HB TRP 29 2HB TRP 29 53.041 -4.048 1.389
180 HD1 TRP 29 HD1 TRP 29 51.534 -7.252 0.730
181 HE1 TRP 29 HE1 TRP 29 51.199 -8.558 2.931
182 HE3 TRP 29 HE3 TRP 29 52.082 -3.476 4.038
183 HZ2 TRP 29 HZ2 TRP 29 51.184 -8.055 5.645
184 HZ3 TRP 29 HZ3 TRP 29 51.850 -3.914 6.416
185 HH2 TRP 29 HH2 TRP 29 51.422 -6.196 7.229
186 H ASP 30 H ASP 30 49.554 -1.375 0.763
187 HA ASP 30 HA ASP 30 49.705 0.513 -0.500
188 1HB ASP 30 1HB ASP 30 50.759 1.161 1.643
189 2HB ASP 30 2HB ASP 30 52.324 0.720 0.994
190 H GLY 31 H GLY 31 50.810 -1.918 -1.731
191 1HA GLY 31 1HA GLY 31 51.824 -2.486 -3.703
192 2HA GLY 31 2HA GLY 31 51.847 -0.772 -4.078
193 H GLY 32 H GLY 32 53.484 -1.239 -1.191
194 1HA GLY 32 1HA GLY 32 55.738 -1.699 -0.716
195 2HA GLY 32 2HA GLY 32 56.032 -1.916 -2.440
196 H ASP 33 H ASP 33 54.337 0.792 -1.066
197 HA ASP 33 HA ASP 33 56.243 2.624 -2.256
198 1HB ASP 33 1HB ASP 33 53.507 2.842 -1.076
199 2HB ASP 33 2HB ASP 33 54.489 4.286 -1.245
200 H CYS 34 H CYS 34 54.866 1.935 0.939
201 HA CYS 34 HA CYS 34 56.601 3.827 2.240
202 1HB CYS 34 1HB CYS 34 54.442 1.991 3.050
203 2HB CYS 34 2HB CYS 34 55.714 2.176 4.247
204 H SER 35 H SER 35 56.218 0.297 2.538
205 HA SER 35 HA SER 35 58.927 -0.335 2.164
206 1HB SER 35 1HB SER 35 59.696 -0.784 4.402
207 2HB SER 35 2HB SER 35 59.125 0.884 4.354
208 HG SER 35 HG SER 35 57.126 0.084 5.237
Start of MODEL 10
1 1H GLU 1 1H GLU 1 39.343 -9.347 9.248
2 2H GLU 1 2H GLU 1 38.265 -10.098 8.143
3 3H GLU 1 3H GLU 1 37.702 -9.589 9.683
4 HA GLU 1 HA GLU 1 37.133 -8.171 7.724
5 1HB GLU 1 1HB GLU 1 37.446 -7.684 10.364
6 2HB GLU 1 2HB GLU 1 38.604 -6.533 9.710
7 1HG GLU 1 1HG GLU 1 36.948 -5.366 8.536
8 2HG GLU 1 2HG GLU 1 35.781 -6.675 8.712
9 H GLU 2 H GLU 2 39.715 -9.369 6.985
10 HA GLU 2 HA GLU 2 41.441 -7.104 6.416
11 1HB GLU 2 1HB GLU 2 41.711 -10.011 5.625
12 2HB GLU 2 2HB GLU 2 42.943 -8.773 5.426
13 1HG GLU 2 1HG GLU 2 43.669 -9.743 7.347
14 2HG GLU 2 2HG GLU 2 42.618 -8.496 8.018
15 H ALA 3 H ALA 3 39.921 -5.949 5.077
16 HA ALA 3 HA ALA 3 40.041 -6.845 2.301
17 1HB ALA 3 1HB ALA 3 37.811 -7.471 3.304
18 2HB ALA 3 2HB ALA 3 37.746 -6.459 1.861
19 3HB ALA 3 3HB ALA 3 37.492 -5.743 3.454
20 H CYS 4 H CYS 4 41.184 -4.711 4.179
21 HA CYS 4 HA CYS 4 41.915 -2.567 3.976
22 1HB CYS 4 1HB CYS 4 42.441 -3.500 1.703
23 2HB CYS 4 2HB CYS 4 40.946 -2.788 1.130
24 H GLU 5 H GLU 5 41.116 -0.552 4.400
25 HA GLU 5 HA GLU 5 38.275 -0.100 3.815
26 1HB GLU 5 1HB GLU 5 38.113 1.153 5.917
27 2HB GLU 5 2HB GLU 5 38.603 -0.511 6.203
28 1HG GLU 5 1HG GLU 5 41.016 0.620 6.039
29 2HG GLU 5 2HG GLU 5 40.090 2.006 6.610
30 H LEU 6 H LEU 6 41.005 0.709 2.605
31 HA LEU 6 HA LEU 6 40.425 3.591 2.474
32 1HB LEU 6 1HB LEU 6 42.980 2.075 2.602
33 2HB LEU 6 2HB LEU 6 42.939 3.543 1.642
34 HG LEU 6 HG LEU 6 41.991 4.662 3.767
35 1HD1 LEU 6 1HD1 LEU 6 41.506 2.622 4.998
36 2HD1 LEU 6 2HD1 LEU 6 42.687 3.608 5.861
37 3HD1 LEU 6 3HD1 LEU 6 43.214 2.182 4.968
38 1HD2 LEU 6 1HD2 LEU 6 44.830 3.723 4.000
39 2HD2 LEU 6 2HD2 LEU 6 44.143 5.289 4.430
40 3HD2 LEU 6 3HD2 LEU 6 44.325 4.841 2.734
41 HA PRO 7 HA PRO 7 39.514 2.344 -1.748
42 1HB PRO 7 1HB PRO 7 38.335 4.703 -2.418
43 2HB PRO 7 2HB PRO 7 37.487 3.421 -1.547
44 1HG PRO 7 1HG PRO 7 38.728 5.926 -0.498
45 2HG PRO 7 2HG PRO 7 37.204 5.148 -0.032
46 1HD PRO 7 1HD PRO 7 39.498 4.930 1.423
47 2HD PRO 7 2HD PRO 7 38.253 3.667 1.386
48 H GLU 8 H GLU 8 41.546 4.642 -0.349
49 HA GLU 8 HA GLU 8 42.454 5.874 -2.799
50 1HB GLU 8 1HB GLU 8 44.177 6.906 -1.333
51 2HB GLU 8 2HB GLU 8 42.530 7.193 -0.788
52 1HG GLU 8 1HG GLU 8 42.743 5.571 0.946
53 2HG GLU 8 2HG GLU 8 44.300 5.029 0.320
54 H CYS 9 H CYS 9 43.617 3.357 -0.579
55 HA CYS 9 HA CYS 9 46.157 2.992 -1.610
56 1HB CYS 9 1HB CYS 9 44.343 0.773 -0.656
57 2HB CYS 9 2HB CYS 9 46.106 0.797 -0.644
58 H GLN 10 H GLN 10 43.112 2.220 -3.049
59 HA GLN 10 HA GLN 10 43.881 0.183 -4.807
60 1HB GLN 10 1HB GLN 10 41.538 0.849 -4.404
61 2HB GLN 10 2HB GLN 10 41.830 2.359 -5.258
62 1HG GLN 10 1HG GLN 10 42.079 1.269 -7.322
63 2HG GLN 10 2HG GLN 10 42.241 -0.312 -6.558
64 1HE2 GLN 10 1HE2 GLN 10 39.997 2.316 -7.203
65 2HE2 GLN 10 2HE2 GLN 10 38.563 1.355 -7.139
66 H GLU 11 H GLU 11 44.342 3.648 -4.929
67 HA GLU 11 HA GLU 11 45.719 3.334 -7.521
68 1HB GLU 11 1HB GLU 11 43.975 5.487 -6.438
69 2HB GLU 11 2HB GLU 11 45.343 5.984 -7.423
70 1HG GLU 11 1HG GLU 11 44.488 5.070 -9.327
71 2HG GLU 11 2HG GLU 11 43.591 3.825 -8.459
72 H ASP 12 H ASP 12 45.831 4.548 -4.275
73 HA ASP 12 HA ASP 12 48.240 5.995 -4.467
74 1HB ASP 12 1HB ASP 12 46.280 5.211 -2.461
75 2HB ASP 12 2HB ASP 12 47.898 5.266 -1.839
76 H ALA 13 H ALA 13 47.455 2.636 -3.929
77 HA ALA 13 HA ALA 13 50.015 1.926 -2.847
78 1HB ALA 13 1HB ALA 13 47.898 0.149 -4.054
79 2HB ALA 13 2HB ALA 13 47.994 0.618 -2.357
80 3HB ALA 13 3HB ALA 13 49.266 -0.373 -3.070
81 H GLY 14 H GLY 14 51.849 1.633 -3.929
82 1HA GLY 14 1HA GLY 14 53.257 0.925 -5.641
83 2HA GLY 14 2HA GLY 14 51.843 0.487 -6.587
84 H ASN 15 H ASN 15 52.654 3.642 -5.188
85 HA ASN 15 HA ASN 15 52.707 4.759 -7.892
86 1HB ASN 15 1HB ASN 15 52.005 6.877 -6.784
87 2HB ASN 15 2HB ASN 15 50.816 5.588 -6.642
88 1HD2 ASN 15 1HD2 ASN 15 50.070 7.044 -4.908
89 2HD2 ASN 15 2HD2 ASN 15 50.751 6.831 -3.330
90 H LYS 16 H LYS 16 54.800 3.640 -5.910
91 HA LYS 16 HA LYS 16 56.973 3.977 -5.482
92 1HB LYS 16 1HB LYS 16 57.005 6.523 -7.034
93 2HB LYS 16 2HB LYS 16 58.226 5.253 -6.944
94 1HG LYS 16 1HG LYS 16 55.656 5.259 -8.495
95 2HG LYS 16 2HG LYS 16 57.303 5.133 -9.094
96 1HD LYS 16 1HD LYS 16 57.208 2.987 -7.454
97 2HD LYS 16 2HD LYS 16 55.530 3.065 -7.997
98 1HE LYS 16 1HE LYS 16 56.653 1.661 -9.533
99 2HE LYS 16 2HE LYS 16 56.435 3.207 -10.352
100 1HZ LYS 16 1HZ LYS 16 58.637 3.603 -10.382
101 2HZ LYS 16 2HZ LYS 16 58.750 1.920 -10.259
102 3HZ LYS 16 3HZ LYS 16 58.919 2.880 -8.878
103 H VAL 17 H VAL 17 54.673 5.613 -4.149
104 HA VAL 17 HA VAL 17 56.314 7.667 -2.858
105 HB VAL 17 HB VAL 17 53.384 7.295 -2.307
106 1HG1 VAL 17 1HG1 VAL 17 55.198 8.975 -1.236
107 2HG1 VAL 17 2HG1 VAL 17 53.485 9.363 -1.396
108 3HG1 VAL 17 3HG1 VAL 17 54.639 9.953 -2.593
109 1HG2 VAL 17 1HG2 VAL 17 53.917 7.387 -4.830
110 2HG2 VAL 17 2HG2 VAL 17 54.354 9.066 -4.526
111 3HG2 VAL 17 3HG2 VAL 17 52.718 8.506 -4.185
112 H CYS 18 H CYS 18 54.251 7.354 -0.541
113 HA CYS 18 HA CYS 18 54.921 4.887 0.704
114 1HB CYS 18 1HB CYS 18 57.035 6.068 1.038
115 2HB CYS 18 2HB CYS 18 56.167 7.434 1.725
116 H SER 19 H SER 19 52.949 4.493 1.384
117 HA SER 19 HA SER 19 51.651 6.436 3.170
118 1HB SER 19 1HB SER 19 49.725 4.718 1.840
119 2HB SER 19 2HB SER 19 49.767 6.478 1.935
120 HG SER 19 HG SER 19 51.252 4.891 0.107
121 H LEU 20 H LEU 20 51.834 5.620 5.082
122 HA LEU 20 HA LEU 20 52.239 2.923 5.737
123 1HB LEU 20 1HB LEU 20 51.276 5.281 7.336
124 2HB LEU 20 2HB LEU 20 51.678 3.729 8.059
125 HG LEU 20 HG LEU 20 53.670 5.178 6.373
126 1HD1 LEU 20 1HD1 LEU 20 54.553 6.183 8.486
127 2HD1 LEU 20 2HD1 LEU 20 53.044 5.713 9.268
128 3HD1 LEU 20 3HD1 LEU 20 53.023 6.862 7.930
129 1HD2 LEU 20 1HD2 LEU 20 55.243 3.836 7.403
130 2HD2 LEU 20 2HD2 LEU 20 53.855 2.753 7.291
131 3HD2 LEU 20 3HD2 LEU 20 54.228 3.553 8.817
132 H GLN 21 H GLN 21 49.381 4.972 5.924
133 HA GLN 21 HA GLN 21 47.614 3.108 7.012
134 1HB GLN 21 1HB GLN 21 45.983 4.608 5.358
135 2HB GLN 21 2HB GLN 21 46.392 4.978 7.022
136 1HG GLN 21 1HG GLN 21 46.664 6.896 5.531
137 2HG GLN 21 2HG GLN 21 48.174 6.432 6.308
138 1HE2 GLN 21 1HE2 GLN 21 46.382 5.438 3.403
139 2HE2 GLN 21 2HE2 GLN 21 47.732 5.565 2.323
140 H CYS 22 H CYS 22 49.155 2.924 4.021
141 HA CYS 22 HA CYS 22 47.048 1.153 2.981
142 1HB CYS 22 1HB CYS 22 49.084 2.871 1.575
143 2HB CYS 22 2HB CYS 22 48.290 1.531 0.758
144 H ASN 23 H ASN 23 50.243 1.414 4.153
145 HA ASN 23 HA ASN 23 51.360 -0.851 2.893
146 1HB ASN 23 1HB ASN 23 52.414 1.281 3.943
147 2HB ASN 23 2HB ASN 23 52.295 0.374 5.444
148 1HD2 ASN 23 1HD2 ASN 23 54.622 1.168 4.701
149 2HD2 ASN 23 2HD2 ASN 23 55.600 -0.138 4.121
150 H ASN 24 H ASN 24 49.055 -1.853 3.788
151 HA ASN 24 HA ASN 24 49.833 -3.340 6.193
152 1HB ASN 24 1HB ASN 24 47.148 -3.748 6.084
153 2HB ASN 24 2HB ASN 24 47.951 -2.600 7.123
154 1HD2 ASN 24 1HD2 ASN 24 48.489 -0.480 5.747
155 2HD2 ASN 24 2HD2 ASN 24 47.102 0.178 4.944
156 H HIS 25 H HIS 25 48.354 -5.333 6.362
157 HA HIS 25 HA HIS 25 49.135 -7.019 4.161
158 1HB HIS 25 1HB HIS 25 49.501 -7.727 6.444
159 2HB HIS 25 2HB HIS 25 47.788 -7.543 6.810
160 HD1 HIS 25 HD1 HIS 25 47.875 -10.116 7.519
161 HD2 HIS 25 HD2 HIS 25 48.514 -9.323 3.497
162 HE1 HIS 25 HE1 HIS 25 47.587 -12.324 6.350
163 HE2 HIS 25 HE2 HIS 25 47.879 -11.801 3.901
164 H ALA 26 H ALA 26 46.264 -5.559 5.463
165 HA ALA 26 HA ALA 26 44.499 -7.211 3.864
166 1HB ALA 26 1HB ALA 26 43.419 -6.869 5.808
167 2HB ALA 26 2HB ALA 26 42.830 -5.442 4.952
168 3HB ALA 26 3HB ALA 26 44.175 -5.300 6.085
169 H CYS 27 H CYS 27 46.169 -4.220 3.430
170 HA CYS 27 HA CYS 27 44.156 -3.380 1.459
171 1HB CYS 27 1HB CYS 27 46.262 -1.927 2.987
172 2HB CYS 27 2HB CYS 27 45.809 -1.313 1.401
173 H GLY 28 H GLY 28 47.402 -4.549 1.823
174 1HA GLY 28 1HA GLY 28 48.089 -5.787 -0.271
175 2HA GLY 28 2HA GLY 28 47.766 -4.273 -1.101
176 H TRP 29 H TRP 29 49.007 -3.562 1.911
177 HA TRP 29 HA TRP 29 50.981 -2.922 2.692
178 1HB TRP 29 1HB TRP 29 52.007 -4.794 0.550
179 2HB TRP 29 2HB TRP 29 53.058 -3.972 1.697
180 HD1 TRP 29 HD1 TRP 29 51.493 -7.194 1.326
181 HE1 TRP 29 HE1 TRP 29 51.200 -8.320 3.630
182 HE3 TRP 29 HE3 TRP 29 52.181 -3.183 4.316
183 HZ2 TRP 29 HZ2 TRP 29 51.264 -7.610 6.296
184 HZ3 TRP 29 HZ3 TRP 29 52.004 -3.434 6.726
185 HH2 TRP 29 HH2 TRP 29 51.568 -5.639 7.725
186 H ASP 30 H ASP 30 49.604 -1.278 0.978
187 HA ASP 30 HA ASP 30 49.756 0.510 -0.422
188 1HB ASP 30 1HB ASP 30 50.903 1.300 1.610
189 2HB ASP 30 2HB ASP 30 52.429 0.730 0.973
190 H GLY 31 H GLY 31 50.722 -2.035 -1.513
191 1HA GLY 31 1HA GLY 31 51.629 -2.783 -3.475
192 2HA GLY 31 2HA GLY 31 51.701 -1.104 -3.979
193 H GLY 32 H GLY 32 53.436 -1.452 -1.125
194 1HA GLY 32 1HA GLY 32 55.688 -1.950 -0.704
195 2HA GLY 32 2HA GLY 32 55.903 -2.315 -2.413
196 H ASP 33 H ASP 33 54.355 0.557 -1.225
197 HA ASP 33 HA ASP 33 56.278 2.212 -2.623
198 1HB ASP 33 1HB ASP 33 53.606 2.628 -1.354
199 2HB ASP 33 2HB ASP 33 54.628 4.015 -1.684
200 H CYS 34 H CYS 34 55.009 1.844 0.671
201 HA CYS 34 HA CYS 34 56.877 3.756 1.738
202 1HB CYS 34 1HB CYS 34 54.677 2.095 2.785
203 2HB CYS 34 2HB CYS 34 56.007 2.317 3.912
204 H SER 35 H SER 35 56.358 0.279 2.328
205 HA SER 35 HA SER 35 59.015 -0.510 1.903
206 1HB SER 35 1HB SER 35 58.382 0.468 4.631
207 2HB SER 35 2HB SER 35 59.280 -1.046 4.534
208 HG SER 35 HG SER 35 60.043 1.263 3.091
Start of MODEL 11
1 1H GLU 1 1H GLU 1 37.947 -5.588 7.549
2 2H GLU 1 2H GLU 1 38.948 -5.735 8.935
3 3H GLU 1 3H GLU 1 37.322 -6.284 8.986
4 HA GLU 1 HA GLU 1 38.911 -8.075 8.793
5 1HB GLU 1 1HB GLU 1 37.715 -9.195 6.982
6 2HB GLU 1 2HB GLU 1 36.601 -8.243 7.954
7 1HG GLU 1 1HG GLU 1 37.784 -7.030 5.507
8 2HG GLU 1 2HG GLU 1 36.484 -8.209 5.343
9 H GLU 2 H GLU 2 39.762 -9.370 6.669
10 HA GLU 2 HA GLU 2 42.028 -7.805 5.790
11 1HB GLU 2 1HB GLU 2 41.281 -10.678 5.792
12 2HB GLU 2 2HB GLU 2 42.387 -10.151 4.531
13 1HG GLU 2 1HG GLU 2 43.521 -11.024 6.538
14 2HG GLU 2 2HG GLU 2 43.958 -9.360 6.153
15 H ALA 3 H ALA 3 40.147 -6.470 4.669
16 HA ALA 3 HA ALA 3 40.273 -7.207 1.845
17 1HB ALA 3 1HB ALA 3 38.129 -7.921 2.034
18 2HB ALA 3 2HB ALA 3 37.797 -6.198 1.854
19 3HB ALA 3 3HB ALA 3 37.812 -6.930 3.458
20 H CYS 4 H CYS 4 41.373 -5.151 3.831
21 HA CYS 4 HA CYS 4 42.044 -2.981 3.742
22 1HB CYS 4 1HB CYS 4 42.560 -3.759 1.410
23 2HB CYS 4 2HB CYS 4 41.035 -3.060 0.903
24 H GLU 5 H GLU 5 41.188 -1.024 4.308
25 HA GLU 5 HA GLU 5 38.324 -0.634 3.788
26 1HB GLU 5 1HB GLU 5 38.110 0.425 5.964
27 2HB GLU 5 2HB GLU 5 38.765 -1.196 6.149
28 1HG GLU 5 1HG GLU 5 41.033 0.300 5.951
29 2HG GLU 5 2HG GLU 5 39.944 1.400 6.793
30 H LEU 6 H LEU 6 40.974 0.348 2.558
31 HA LEU 6 HA LEU 6 40.260 3.206 2.598
32 1HB LEU 6 1HB LEU 6 42.906 1.846 2.692
33 2HB LEU 6 2HB LEU 6 42.781 3.375 1.845
34 HG LEU 6 HG LEU 6 41.779 4.324 3.983
35 1HD1 LEU 6 1HD1 LEU 6 42.437 1.572 4.839
36 2HD1 LEU 6 2HD1 LEU 6 41.171 2.666 5.397
37 3HD1 LEU 6 3HD1 LEU 6 42.828 2.873 5.963
38 1HD2 LEU 6 1HD2 LEU 6 44.627 3.332 4.020
39 2HD2 LEU 6 2HD2 LEU 6 43.978 4.635 5.014
40 3HD2 LEU 6 3HD2 LEU 6 44.050 4.815 3.262
41 HA PRO 7 HA PRO 7 39.478 2.129 -1.698
42 1HB PRO 7 1HB PRO 7 38.410 4.863 -1.783
43 2HB PRO 7 2HB PRO 7 37.588 3.335 -2.109
44 1HG PRO 7 1HG PRO 7 37.067 4.810 0.091
45 2HG PRO 7 2HG PRO 7 36.980 3.039 0.090
46 1HD PRO 7 1HD PRO 7 39.141 4.828 1.131
47 2HD PRO 7 2HD PRO 7 38.489 3.326 1.824
48 H GLU 8 H GLU 8 41.378 4.480 -0.152
49 HA GLU 8 HA GLU 8 42.296 5.819 -2.531
50 1HB GLU 8 1HB GLU 8 44.010 6.802 -0.981
51 2HB GLU 8 2HB GLU 8 42.339 7.097 -0.523
52 1HG GLU 8 1HG GLU 8 43.599 4.713 0.660
53 2HG GLU 8 2HG GLU 8 44.238 6.271 1.178
54 H CYS 9 H CYS 9 43.515 3.229 -0.437
55 HA CYS 9 HA CYS 9 46.077 2.996 -1.448
56 1HB CYS 9 1HB CYS 9 44.306 0.686 -0.636
57 2HB CYS 9 2HB CYS 9 46.068 0.742 -0.613
58 H GLN 10 H GLN 10 43.072 2.221 -2.971
59 HA GLN 10 HA GLN 10 43.930 0.309 -4.830
60 1HB GLN 10 1HB GLN 10 41.795 2.428 -5.134
61 2HB GLN 10 2HB GLN 10 41.986 1.024 -6.176
62 1HG GLN 10 1HG GLN 10 41.673 -0.395 -4.117
63 2HG GLN 10 2HG GLN 10 41.202 1.081 -3.277
64 1HE2 GLN 10 1HE2 GLN 10 39.793 2.337 -5.318
65 2HE2 GLN 10 2HE2 GLN 10 38.353 1.437 -5.636
66 H GLU 11 H GLU 11 44.274 3.787 -4.743
67 HA GLU 11 HA GLU 11 45.675 3.679 -7.338
68 1HB GLU 11 1HB GLU 11 44.282 6.035 -6.048
69 2HB GLU 11 2HB GLU 11 45.155 6.079 -7.574
70 1HG GLU 11 1HG GLU 11 43.183 3.996 -7.622
71 2HG GLU 11 2HG GLU 11 42.445 5.529 -7.160
72 H ASP 12 H ASP 12 45.725 4.701 -4.024
73 HA ASP 12 HA ASP 12 48.091 6.228 -4.104
74 1HB ASP 12 1HB ASP 12 46.139 5.263 -2.170
75 2HB ASP 12 2HB ASP 12 47.750 5.331 -1.529
76 H ALA 13 H ALA 13 47.411 2.821 -3.814
77 HA ALA 13 HA ALA 13 49.985 2.124 -2.745
78 1HB ALA 13 1HB ALA 13 47.948 0.751 -2.383
79 2HB ALA 13 2HB ALA 13 49.308 -0.162 -3.037
80 3HB ALA 13 3HB ALA 13 47.982 0.321 -4.094
81 H GLY 14 H GLY 14 51.830 1.940 -3.831
82 1HA GLY 14 1HA GLY 14 53.263 1.376 -5.576
83 2HA GLY 14 2HA GLY 14 51.864 0.969 -6.558
84 H ASN 15 H ASN 15 52.580 4.044 -4.946
85 HA ASN 15 HA ASN 15 52.633 5.337 -7.571
86 1HB ASN 15 1HB ASN 15 51.859 7.358 -6.338
87 2HB ASN 15 2HB ASN 15 50.706 6.030 -6.291
88 1HD2 ASN 15 1HD2 ASN 15 49.903 7.347 -4.476
89 2HD2 ASN 15 2HD2 ASN 15 50.575 7.051 -2.907
90 H LYS 16 H LYS 16 54.732 4.142 -5.643
91 HA LYS 16 HA LYS 16 56.891 4.504 -5.167
92 1HB LYS 16 1HB LYS 16 56.875 7.147 -6.547
93 2HB LYS 16 2HB LYS 16 58.126 5.904 -6.526
94 1HG LYS 16 1HG LYS 16 55.574 5.948 -8.106
95 2HG LYS 16 2HG LYS 16 57.230 5.904 -8.691
96 1HD LYS 16 1HD LYS 16 57.195 3.652 -7.214
97 2HD LYS 16 2HD LYS 16 55.507 3.721 -7.727
98 1HE LYS 16 1HE LYS 16 56.238 3.906 -10.063
99 2HE LYS 16 2HE LYS 16 57.918 3.811 -9.540
100 1HZ LYS 16 1HZ LYS 16 56.549 1.698 -10.317
101 2HZ LYS 16 2HZ LYS 16 56.147 1.664 -8.675
102 3HZ LYS 16 3HZ LYS 16 57.769 1.603 -9.148
103 H VAL 17 H VAL 17 54.535 5.992 -3.759
104 HA VAL 17 HA VAL 17 56.104 7.997 -2.314
105 HB VAL 17 HB VAL 17 53.183 7.500 -1.820
106 1HG1 VAL 17 1HG1 VAL 17 54.356 10.207 -1.899
107 2HG1 VAL 17 2HG1 VAL 17 54.936 9.153 -0.611
108 3HG1 VAL 17 3HG1 VAL 17 53.213 9.498 -0.759
109 1HG2 VAL 17 1HG2 VAL 17 53.743 7.794 -4.325
110 2HG2 VAL 17 2HG2 VAL 17 54.114 9.460 -3.889
111 3HG2 VAL 17 3HG2 VAL 17 52.496 8.816 -3.615
112 H CYS 18 H CYS 18 54.037 7.463 -0.039
113 HA CYS 18 HA CYS 18 54.779 4.939 1.039
114 1HB CYS 18 1HB CYS 18 56.852 6.160 1.468
115 2HB CYS 18 2HB CYS 18 55.939 7.448 2.240
116 H SER 19 H SER 19 52.825 4.430 1.695
117 HA SER 19 HA SER 19 51.438 6.227 3.568
118 1HB SER 19 1HB SER 19 50.411 4.911 1.109
119 2HB SER 19 2HB SER 19 49.357 4.850 2.522
120 HG SER 19 HG SER 19 49.350 7.072 2.596
121 H LEU 20 H LEU 20 51.650 5.348 5.443
122 HA LEU 20 HA LEU 20 52.132 2.617 5.966
123 1HB LEU 20 1HB LEU 20 51.195 4.885 7.706
124 2HB LEU 20 2HB LEU 20 51.692 3.318 8.330
125 HG LEU 20 HG LEU 20 53.536 4.908 6.608
126 1HD1 LEU 20 1HD1 LEU 20 53.206 5.263 9.584
127 2HD1 LEU 20 2HD1 LEU 20 52.781 6.449 8.349
128 3HD1 LEU 20 3HD1 LEU 20 54.466 5.986 8.586
129 1HD2 LEU 20 1HD2 LEU 20 53.794 2.440 7.533
130 2HD2 LEU 20 2HD2 LEU 20 54.378 3.301 8.957
131 3HD2 LEU 20 3HD2 LEU 20 55.172 3.531 7.399
132 H GLN 21 H GLN 21 49.270 4.608 5.947
133 HA GLN 21 HA GLN 21 47.529 2.696 7.123
134 1HB GLN 21 1HB GLN 21 45.895 4.290 5.528
135 2HB GLN 21 2HB GLN 21 46.246 4.516 7.231
136 1HG GLN 21 1HG GLN 21 46.575 6.582 6.086
137 2HG GLN 21 2HG GLN 21 48.143 5.973 6.609
138 1HE2 GLN 21 1HE2 GLN 21 46.104 5.190 3.814
139 2HE2 GLN 21 2HE2 GLN 21 47.300 5.574 2.618
140 H CYS 22 H CYS 22 49.092 2.637 4.178
141 HA CYS 22 HA CYS 22 47.007 0.909 3.020
142 1HB CYS 22 1HB CYS 22 48.998 2.754 1.710
143 2HB CYS 22 2HB CYS 22 48.228 1.446 0.819
144 H ASN 23 H ASN 23 50.193 1.177 4.216
145 HA ASN 23 HA ASN 23 51.377 -0.974 2.824
146 1HB ASN 23 1HB ASN 23 52.360 1.113 4.040
147 2HB ASN 23 2HB ASN 23 52.265 0.085 5.464
148 1HD2 ASN 23 1HD2 ASN 23 54.569 0.993 4.817
149 2HD2 ASN 23 2HD2 ASN 23 55.585 -0.229 4.133
150 H ASN 24 H ASN 24 49.087 -2.087 3.629
151 HA ASN 24 HA ASN 24 49.885 -3.709 5.937
152 1HB ASN 24 1HB ASN 24 47.211 -4.174 5.778
153 2HB ASN 24 2HB ASN 24 47.979 -3.078 6.898
154 1HD2 ASN 24 1HD2 ASN 24 48.474 -0.857 5.672
155 2HD2 ASN 24 2HD2 ASN 24 47.078 -0.181 4.900
156 H HIS 25 H HIS 25 48.452 -5.744 5.960
157 HA HIS 25 HA HIS 25 49.296 -7.259 3.660
158 1HB HIS 25 1HB HIS 25 49.661 -8.108 5.895
159 2HB HIS 25 2HB HIS 25 47.940 -7.991 6.254
160 HD1 HIS 25 HD1 HIS 25 48.084 -10.601 6.793
161 HD2 HIS 25 HD2 HIS 25 48.743 -9.529 2.839
162 HE1 HIS 25 HE1 HIS 25 47.863 -12.735 5.478
163 HE2 HIS 25 HE2 HIS 25 48.173 -12.046 3.073
164 H ALA 26 H ALA 26 46.378 -5.956 5.018
165 HA ALA 26 HA ALA 26 44.670 -7.544 3.296
166 1HB ALA 26 1HB ALA 26 44.052 -5.468 5.379
167 2HB ALA 26 2HB ALA 26 43.901 -7.220 5.525
168 3HB ALA 26 3HB ALA 26 42.833 -6.329 4.439
169 H CYS 27 H CYS 27 46.248 -4.469 3.112
170 HA CYS 27 HA CYS 27 44.252 -3.551 1.161
171 1HB CYS 27 1HB CYS 27 46.321 -2.169 2.800
172 2HB CYS 27 2HB CYS 27 45.874 -1.462 1.251
173 H GLY 28 H GLY 28 47.508 -4.696 1.480
174 1HA GLY 28 1HA GLY 28 48.246 -5.786 -0.671
175 2HA GLY 28 2HA GLY 28 47.890 -4.236 -1.417
176 H TRP 29 H TRP 29 49.092 -3.670 1.644
177 HA TRP 29 HA TRP 29 51.042 -3.025 2.478
178 1HB TRP 29 1HB TRP 29 52.139 -4.728 0.230
179 2HB TRP 29 2HB TRP 29 53.155 -3.954 1.443
180 HD1 TRP 29 HD1 TRP 29 51.673 -7.186 0.840
181 HE1 TRP 29 HE1 TRP 29 51.392 -8.471 3.061
182 HE3 TRP 29 HE3 TRP 29 52.246 -3.368 4.096
183 HZ2 TRP 29 HZ2 TRP 29 51.422 -7.938 5.770
184 HZ3 TRP 29 HZ3 TRP 29 52.059 -3.784 6.482
185 HH2 TRP 29 HH2 TRP 29 51.670 -6.060 7.329
186 H ASP 30 H ASP 30 49.620 -1.331 0.851
187 HA ASP 30 HA ASP 30 49.719 0.547 -0.429
188 1HB ASP 30 1HB ASP 30 50.860 1.221 1.662
189 2HB ASP 30 2HB ASP 30 52.396 0.774 0.954
190 H GLY 31 H GLY 31 50.769 -1.900 -1.667
191 1HA GLY 31 1HA GLY 31 51.691 -2.493 -3.677
192 2HA GLY 31 2HA GLY 31 51.729 -0.782 -4.067
193 H GLY 32 H GLY 32 53.450 -1.290 -1.228
194 1HA GLY 32 1HA GLY 32 55.710 -1.759 -0.820
195 2HA GLY 32 2HA GLY 32 55.947 -2.007 -2.547
196 H ASP 33 H ASP 33 54.328 0.744 -1.171
197 HA ASP 33 HA ASP 33 56.209 2.534 -2.453
198 1HB ASP 33 1HB ASP 33 53.522 2.793 -1.175
199 2HB ASP 33 2HB ASP 33 54.508 4.228 -1.397
200 H CYS 34 H CYS 34 54.949 1.916 0.804
201 HA CYS 34 HA CYS 34 56.760 3.802 2.005
202 1HB CYS 34 1HB CYS 34 54.608 2.010 2.925
203 2HB CYS 34 2HB CYS 34 55.927 2.192 4.071
204 H SER 35 H SER 35 56.336 0.283 2.361
205 HA SER 35 HA SER 35 59.017 -0.401 1.893
206 1HB SER 35 1HB SER 35 58.903 0.865 4.273
207 2HB SER 35 2HB SER 35 58.562 -0.784 4.797
208 HG SER 35 HG SER 35 60.853 -0.092 4.673
Start of MODEL 12
1 1H GLU 1 1H GLU 1 38.014 -9.243 8.297
2 2H GLU 1 2H GLU 1 37.718 -8.600 9.860
3 3H GLU 1 3H GLU 1 39.327 -8.893 9.341
4 HA GLU 1 HA GLU 1 37.539 -7.047 7.932
5 1HB GLU 1 1HB GLU 1 38.704 -5.262 9.264
6 2HB GLU 1 2HB GLU 1 37.588 -6.254 10.192
7 1HG GLU 1 1HG GLU 1 40.496 -6.932 10.103
8 2HG GLU 1 2HG GLU 1 39.900 -5.672 11.181
9 H GLU 2 H GLU 2 39.419 -8.944 6.896
10 HA GLU 2 HA GLU 2 41.733 -7.283 6.197
11 1HB GLU 2 1HB GLU 2 41.196 -10.239 5.932
12 2HB GLU 2 2HB GLU 2 42.579 -9.457 5.179
13 1HG GLU 2 1HG GLU 2 42.299 -8.831 8.011
14 2HG GLU 2 2HG GLU 2 42.523 -10.549 7.685
15 H ALA 3 H ALA 3 39.942 -6.061 4.952
16 HA ALA 3 HA ALA 3 40.069 -6.976 2.181
17 1HB ALA 3 1HB ALA 3 37.787 -6.743 1.747
18 2HB ALA 3 2HB ALA 3 37.501 -5.856 3.243
19 3HB ALA 3 3HB ALA 3 37.839 -7.586 3.295
20 H CYS 4 H CYS 4 41.204 -4.820 4.020
21 HA CYS 4 HA CYS 4 41.903 -2.669 3.787
22 1HB CYS 4 1HB CYS 4 42.350 -3.613 1.490
23 2HB CYS 4 2HB CYS 4 40.843 -2.882 0.974
24 H GLU 5 H GLU 5 41.074 -0.691 4.286
25 HA GLU 5 HA GLU 5 38.217 -0.267 3.751
26 1HB GLU 5 1HB GLU 5 38.231 1.089 5.893
27 2HB GLU 5 2HB GLU 5 38.376 -0.653 6.082
28 1HG GLU 5 1HG GLU 5 40.976 0.541 5.851
29 2HG GLU 5 2HG GLU 5 40.047 1.328 7.125
30 H LEU 6 H LEU 6 40.887 0.611 2.483
31 HA LEU 6 HA LEU 6 40.212 3.474 2.380
32 1HB LEU 6 1HB LEU 6 42.863 2.104 2.518
33 2HB LEU 6 2HB LEU 6 42.722 3.657 1.717
34 HG LEU 6 HG LEU 6 41.442 4.009 4.178
35 1HD1 LEU 6 1HD1 LEU 6 43.498 3.394 5.648
36 2HD1 LEU 6 2HD1 LEU 6 43.801 2.194 4.394
37 3HD1 LEU 6 3HD1 LEU 6 42.280 2.173 5.285
38 1HD2 LEU 6 1HD2 LEU 6 43.657 5.279 4.648
39 2HD2 LEU 6 2HD2 LEU 6 42.620 5.802 3.321
40 3HD2 LEU 6 3HD2 LEU 6 44.056 4.834 2.988
41 HA PRO 7 HA PRO 7 39.522 2.193 -1.878
42 1HB PRO 7 1HB PRO 7 38.480 4.926 -2.125
43 2HB PRO 7 2HB PRO 7 37.652 3.389 -2.389
44 1HG PRO 7 1HG PRO 7 37.100 4.985 -0.283
45 2HG PRO 7 2HG PRO 7 36.987 3.217 -0.195
46 1HD PRO 7 1HD PRO 7 39.147 5.031 0.809
47 2HD PRO 7 2HD PRO 7 38.461 3.569 1.557
48 H GLU 8 H GLU 8 41.402 4.595 -0.398
49 HA GLU 8 HA GLU 8 42.386 5.849 -2.790
50 1HB GLU 8 1HB GLU 8 44.068 6.859 -1.249
51 2HB GLU 8 2HB GLU 8 42.400 7.132 -0.765
52 1HG GLU 8 1HG GLU 8 42.548 5.514 0.963
53 2HG GLU 8 2HG GLU 8 44.106 4.937 0.373
54 H CYS 9 H CYS 9 43.539 3.295 -0.609
55 HA CYS 9 HA CYS 9 46.109 2.995 -1.574
56 1HB CYS 9 1HB CYS 9 44.298 0.721 -0.751
57 2HB CYS 9 2HB CYS 9 46.060 0.765 -0.689
58 H GLN 10 H GLN 10 43.123 2.235 -3.135
59 HA GLN 10 HA GLN 10 43.962 0.269 -4.936
60 1HB GLN 10 1HB GLN 10 41.601 1.409 -4.450
61 2HB GLN 10 2HB GLN 10 42.045 2.345 -5.871
62 1HG GLN 10 1HG GLN 10 42.526 0.016 -6.921
63 2HG GLN 10 2HG GLN 10 41.483 -0.571 -5.627
64 1HE2 GLN 10 1HE2 GLN 10 41.501 2.158 -7.902
65 2HE2 GLN 10 2HE2 GLN 10 39.863 1.961 -8.416
66 H GLU 11 H GLU 11 44.397 3.744 -4.936
67 HA GLU 11 HA GLU 11 45.885 3.515 -7.474
68 1HB GLU 11 1HB GLU 11 45.401 5.863 -7.885
69 2HB GLU 11 2HB GLU 11 43.904 4.973 -7.648
70 1HG GLU 11 1HG GLU 11 44.278 5.775 -5.145
71 2HG GLU 11 2HG GLU 11 45.164 7.059 -5.968
72 H ASP 12 H ASP 12 45.845 4.636 -4.194
73 HA ASP 12 HA ASP 12 48.257 6.099 -4.245
74 1HB ASP 12 1HB ASP 12 46.207 5.274 -2.349
75 2HB ASP 12 2HB ASP 12 47.796 5.316 -1.653
76 H ALA 13 H ALA 13 47.610 2.765 -4.319
77 HA ALA 13 HA ALA 13 50.039 1.994 -2.923
78 1HB ALA 13 1HB ALA 13 49.346 -0.316 -3.527
79 2HB ALA 13 2HB ALA 13 47.945 0.364 -4.354
80 3HB ALA 13 3HB ALA 13 48.127 0.572 -2.612
81 H GLY 14 H GLY 14 51.910 1.310 -3.862
82 1HA GLY 14 1HA GLY 14 53.485 0.959 -5.509
83 2HA GLY 14 2HA GLY 14 52.156 0.510 -6.565
84 H ASN 15 H ASN 15 52.982 3.600 -4.989
85 HA ASN 15 HA ASN 15 53.034 4.842 -7.641
86 1HB ASN 15 1HB ASN 15 52.250 6.893 -6.436
87 2HB ASN 15 2HB ASN 15 51.088 5.571 -6.455
88 1HD2 ASN 15 1HD2 ASN 15 50.275 6.998 -4.673
89 2HD2 ASN 15 2HD2 ASN 15 50.841 6.636 -3.076
90 H LYS 16 H LYS 16 55.116 3.712 -5.651
91 HA LYS 16 HA LYS 16 57.261 4.123 -5.130
92 1HB LYS 16 1HB LYS 16 57.248 6.711 -6.611
93 2HB LYS 16 2HB LYS 16 58.505 5.478 -6.521
94 1HG LYS 16 1HG LYS 16 55.982 5.444 -8.146
95 2HG LYS 16 2HG LYS 16 57.649 5.393 -8.704
96 1HD LYS 16 1HD LYS 16 57.557 3.199 -7.103
97 2HD LYS 16 2HD LYS 16 55.914 3.233 -7.748
98 1HE LYS 16 1HE LYS 16 56.803 3.305 -10.020
99 2HE LYS 16 2HE LYS 16 58.448 3.298 -9.386
100 1HZ LYS 16 1HZ LYS 16 58.246 1.097 -9.702
101 2HZ LYS 16 2HZ LYS 16 56.556 1.115 -9.650
102 3HZ LYS 16 3HZ LYS 16 57.444 1.128 -8.212
103 H VAL 17 H VAL 17 54.838 5.695 -3.864
104 HA VAL 17 HA VAL 17 56.387 7.729 -2.435
105 HB VAL 17 HB VAL 17 53.460 7.309 -1.958
106 1HG1 VAL 17 1HG1 VAL 17 54.673 9.981 -2.287
107 2HG1 VAL 17 2HG1 VAL 17 55.228 9.037 -0.905
108 3HG1 VAL 17 3HG1 VAL 17 53.512 9.399 -1.093
109 1HG2 VAL 17 1HG2 VAL 17 52.782 8.509 -3.855
110 2HG2 VAL 17 2HG2 VAL 17 53.956 7.351 -4.473
111 3HG2 VAL 17 3HG2 VAL 17 54.425 9.030 -4.222
112 H CYS 18 H CYS 18 54.290 7.350 -0.185
113 HA CYS 18 HA CYS 18 54.942 4.816 0.959
114 1HB CYS 18 1HB CYS 18 57.000 6.047 1.441
115 2HB CYS 18 2HB CYS 18 56.057 7.338 2.173
116 H SER 19 H SER 19 52.947 4.335 1.507
117 HA SER 19 HA SER 19 51.478 6.186 3.267
118 1HB SER 19 1HB SER 19 50.591 4.763 0.826
119 2HB SER 19 2HB SER 19 49.485 4.672 2.195
120 HG SER 19 HG SER 19 50.566 7.070 1.131
121 H LEU 20 H LEU 20 51.634 5.411 5.193
122 HA LEU 20 HA LEU 20 52.131 2.708 5.861
123 1HB LEU 20 1HB LEU 20 51.179 5.068 7.465
124 2HB LEU 20 2HB LEU 20 51.651 3.533 8.180
125 HG LEU 20 HG LEU 20 53.545 4.997 6.403
126 1HD1 LEU 20 1HD1 LEU 20 54.137 6.554 7.930
127 2HD1 LEU 20 2HD1 LEU 20 53.755 5.512 9.301
128 3HD1 LEU 20 3HD1 LEU 20 52.462 6.355 8.447
129 1HD2 LEU 20 1HD2 LEU 20 53.740 2.595 7.538
130 2HD2 LEU 20 2HD2 LEU 20 54.352 3.573 8.872
131 3HD2 LEU 20 3HD2 LEU 20 55.136 3.644 7.295
132 H GLN 21 H GLN 21 49.257 4.735 5.910
133 HA GLN 21 HA GLN 21 47.538 2.828 7.090
134 1HB GLN 21 1HB GLN 21 45.826 4.344 6.754
135 2HB GLN 21 2HB GLN 21 47.234 5.394 6.775
136 1HG GLN 21 1HG GLN 21 45.809 4.397 4.318
137 2HG GLN 21 2HG GLN 21 45.678 6.012 5.014
138 1HE2 GLN 21 1HE2 GLN 21 46.413 5.611 2.398
139 2HE2 GLN 21 2HE2 GLN 21 48.071 6.064 2.189
140 H CYS 22 H CYS 22 49.032 2.751 4.101
141 HA CYS 22 HA CYS 22 46.900 1.061 2.976
142 1HB CYS 22 1HB CYS 22 48.940 2.847 1.670
143 2HB CYS 22 2HB CYS 22 48.209 1.517 0.782
144 H ASN 23 H ASN 23 50.111 1.277 4.129
145 HA ASN 23 HA ASN 23 51.214 -0.954 2.810
146 1HB ASN 23 1HB ASN 23 52.258 1.137 3.979
147 2HB ASN 23 2HB ASN 23 52.159 0.128 5.416
148 1HD2 ASN 23 1HD2 ASN 23 54.476 0.954 4.750
149 2HD2 ASN 23 2HD2 ASN 23 55.450 -0.292 4.047
150 H ASN 24 H ASN 24 48.917 -2.004 3.635
151 HA ASN 24 HA ASN 24 49.677 -3.569 5.994
152 1HB ASN 24 1HB ASN 24 46.997 -3.996 5.840
153 2HB ASN 24 2HB ASN 24 47.780 -2.886 6.934
154 1HD2 ASN 24 1HD2 ASN 24 48.316 -0.706 5.642
155 2HD2 ASN 24 2HD2 ASN 24 46.929 -0.026 4.857
156 H HIS 25 H HIS 25 48.221 -5.586 6.067
157 HA HIS 25 HA HIS 25 49.052 -7.166 3.810
158 1HB HIS 25 1HB HIS 25 49.396 -7.970 6.062
159 2HB HIS 25 2HB HIS 25 47.676 -7.816 6.414
160 HD1 HIS 25 HD1 HIS 25 47.762 -10.413 7.012
161 HD2 HIS 25 HD2 HIS 25 48.477 -9.450 3.041
162 HE1 HIS 25 HE1 HIS 25 47.509 -12.573 5.746
163 HE2 HIS 25 HE2 HIS 25 47.854 -11.949 3.329
164 H ALA 26 H ALA 26 46.142 -5.800 5.126
165 HA ALA 26 HA ALA 26 44.425 -7.397 3.421
166 1HB ALA 26 1HB ALA 26 42.597 -6.122 4.531
167 2HB ALA 26 2HB ALA 26 43.830 -5.294 5.481
168 3HB ALA 26 3HB ALA 26 43.630 -7.040 5.627
169 H CYS 27 H CYS 27 46.058 -4.365 3.174
170 HA CYS 27 HA CYS 27 44.077 -3.437 1.213
171 1HB CYS 27 1HB CYS 27 46.161 -2.070 2.841
172 2HB CYS 27 2HB CYS 27 45.772 -1.388 1.266
173 H GLY 28 H GLY 28 47.321 -4.619 1.556
174 1HA GLY 28 1HA GLY 28 48.044 -5.768 -0.572
175 2HA GLY 28 2HA GLY 28 47.714 -4.226 -1.349
176 H TRP 29 H TRP 29 48.908 -3.628 1.708
177 HA TRP 29 HA TRP 29 50.863 -2.995 2.542
178 1HB TRP 29 1HB TRP 29 51.942 -4.756 0.333
179 2HB TRP 29 2HB TRP 29 52.967 -3.971 1.529
180 HD1 TRP 29 HD1 TRP 29 51.447 -7.195 1.000
181 HE1 TRP 29 HE1 TRP 29 51.139 -8.421 3.250
182 HE3 TRP 29 HE3 TRP 29 52.052 -3.308 4.163
183 HZ2 TRP 29 HZ2 TRP 29 51.160 -7.822 5.946
184 HZ3 TRP 29 HZ3 TRP 29 51.848 -3.660 6.557
185 HH2 TRP 29 HH2 TRP 29 51.425 -5.909 7.459
186 H ASP 30 H ASP 30 49.497 -1.270 0.927
187 HA ASP 30 HA ASP 30 49.640 0.612 -0.342
188 1HB ASP 30 1HB ASP 30 50.855 1.321 1.653
189 2HB ASP 30 2HB ASP 30 52.344 0.669 1.009
190 H GLY 31 H GLY 31 50.671 -1.948 -1.555
191 1HA GLY 31 1HA GLY 31 51.418 -2.509 -3.656
192 2HA GLY 31 2HA GLY 31 51.588 -0.797 -3.996
193 H GLY 32 H GLY 32 53.358 -0.960 -1.340
194 1HA GLY 32 1HA GLY 32 55.559 -1.818 -0.919
195 2HA GLY 32 2HA GLY 32 55.754 -2.047 -2.651
196 H ASP 33 H ASP 33 54.367 0.852 -1.278
197 HA ASP 33 HA ASP 33 56.506 2.408 -2.468
198 1HB ASP 33 1HB ASP 33 54.233 3.668 -0.997
199 2HB ASP 33 2HB ASP 33 55.071 4.202 -2.446
200 H CYS 34 H CYS 34 55.009 1.880 0.711
201 HA CYS 34 HA CYS 34 56.856 3.664 2.010
202 1HB CYS 34 1HB CYS 34 54.592 1.959 2.827
203 2HB CYS 34 2HB CYS 34 55.870 2.084 4.024
204 H SER 35 H SER 35 56.271 0.158 2.290
205 HA SER 35 HA SER 35 57.647 -1.600 2.720
206 1HB SER 35 1HB SER 35 58.791 -0.891 0.672
207 2HB SER 35 2HB SER 35 59.772 0.244 1.599
208 HG SER 35 HG SER 35 59.788 -2.586 1.745
Start of MODEL 13
1 1H GLU 1 1H GLU 1 36.493 -8.657 8.145
2 2H GLU 1 2H GLU 1 37.671 -9.243 7.043
3 3H GLU 1 3H GLU 1 36.812 -7.799 6.696
4 HA GLU 1 HA GLU 1 37.827 -6.676 8.474
5 1HB GLU 1 1HB GLU 1 38.669 -9.456 9.138
6 2HB GLU 1 2HB GLU 1 39.773 -8.153 9.555
7 1HG GLU 1 1HG GLU 1 38.511 -8.450 11.476
8 2HG GLU 1 2HG GLU 1 37.757 -7.062 10.692
9 H GLU 2 H GLU 2 39.980 -9.230 7.232
10 HA GLU 2 HA GLU 2 41.895 -7.310 6.317
11 1HB GLU 2 1HB GLU 2 41.665 -10.279 6.318
12 2HB GLU 2 2HB GLU 2 42.772 -9.549 5.163
13 1HG GLU 2 1HG GLU 2 44.278 -9.087 6.733
14 2HG GLU 2 2HG GLU 2 43.059 -8.455 7.839
15 H ALA 3 H ALA 3 40.155 -6.194 4.996
16 HA ALA 3 HA ALA 3 40.374 -7.136 2.240
17 1HB ALA 3 1HB ALA 3 37.879 -6.190 2.105
18 2HB ALA 3 2HB ALA 3 37.864 -6.794 3.763
19 3HB ALA 3 3HB ALA 3 38.242 -7.884 2.429
20 H CYS 4 H CYS 4 41.374 -4.910 4.093
21 HA CYS 4 HA CYS 4 42.003 -2.739 3.848
22 1HB CYS 4 1HB CYS 4 42.572 -3.706 1.587
23 2HB CYS 4 2HB CYS 4 41.063 -3.035 1.001
24 H GLU 5 H GLU 5 41.057 -0.830 4.361
25 HA GLU 5 HA GLU 5 38.230 -0.490 3.639
26 1HB GLU 5 1HB GLU 5 37.858 0.614 5.774
27 2HB GLU 5 2HB GLU 5 38.511 -0.998 6.035
28 1HG GLU 5 1HG GLU 5 40.387 -0.226 6.986
29 2HG GLU 5 2HG GLU 5 40.519 1.131 5.869
30 H LEU 6 H LEU 6 40.939 0.506 2.562
31 HA LEU 6 HA LEU 6 40.194 3.355 2.513
32 1HB LEU 6 1HB LEU 6 42.903 2.061 2.565
33 2HB LEU 6 2HB LEU 6 42.669 3.705 2.000
34 HG LEU 6 HG LEU 6 41.389 3.718 4.443
35 1HD1 LEU 6 1HD1 LEU 6 43.978 2.244 4.844
36 2HD1 LEU 6 2HD1 LEU 6 42.411 1.435 4.810
37 3HD1 LEU 6 3HD1 LEU 6 42.750 2.648 6.044
38 1HD2 LEU 6 1HD2 LEU 6 42.630 5.576 4.097
39 2HD2 LEU 6 2HD2 LEU 6 43.956 4.687 3.349
40 3HD2 LEU 6 3HD2 LEU 6 43.787 4.707 5.105
41 HA PRO 7 HA PRO 7 39.636 2.214 -1.803
42 1HB PRO 7 1HB PRO 7 38.611 4.965 -1.973
43 2HB PRO 7 2HB PRO 7 37.794 3.446 -2.345
44 1HG PRO 7 1HG PRO 7 37.152 4.930 -0.188
45 2HG PRO 7 2HG PRO 7 37.054 3.160 -0.184
46 1HD PRO 7 1HD PRO 7 39.155 4.945 0.982
47 2HD PRO 7 2HD PRO 7 38.458 3.444 1.636
48 H GLU 8 H GLU 8 41.453 4.586 -0.185
49 HA GLU 8 HA GLU 8 42.512 5.967 -2.449
50 1HB GLU 8 1HB GLU 8 42.799 6.042 0.422
51 2HB GLU 8 2HB GLU 8 44.376 6.127 -0.351
52 1HG GLU 8 1HG GLU 8 44.027 8.192 -1.128
53 2HG GLU 8 2HG GLU 8 42.348 7.859 -1.554
54 H CYS 9 H CYS 9 43.596 3.196 -0.514
55 HA CYS 9 HA CYS 9 46.147 2.921 -1.582
56 1HB CYS 9 1HB CYS 9 44.374 0.598 -0.824
57 2HB CYS 9 2HB CYS 9 46.135 0.696 -0.750
58 H GLN 10 H GLN 10 43.087 2.322 -3.049
59 HA GLN 10 HA GLN 10 43.812 0.414 -4.970
60 1HB GLN 10 1HB GLN 10 41.496 1.617 -4.318
61 2HB GLN 10 2HB GLN 10 41.890 2.526 -5.770
62 1HG GLN 10 1HG GLN 10 42.188 -0.368 -6.055
63 2HG GLN 10 2HG GLN 10 40.543 0.163 -5.704
64 1HE2 GLN 10 1HE2 GLN 10 40.315 2.490 -7.003
65 2HE2 GLN 10 2HE2 GLN 10 40.521 2.275 -8.704
66 H GLU 11 H GLU 11 44.328 3.866 -4.801
67 HA GLU 11 HA GLU 11 45.664 3.758 -7.431
68 1HB GLU 11 1HB GLU 11 43.602 5.418 -6.708
69 2HB GLU 11 2HB GLU 11 45.006 6.421 -6.375
70 1HG GLU 11 1HG GLU 11 45.607 5.409 -8.835
71 2HG GLU 11 2HG GLU 11 43.854 5.578 -8.921
72 H ASP 12 H ASP 12 45.842 4.687 -4.093
73 HA ASP 12 HA ASP 12 48.281 6.098 -4.207
74 1HB ASP 12 1HB ASP 12 46.326 5.212 -2.240
75 2HB ASP 12 2HB ASP 12 47.953 5.182 -1.638
76 H ALA 13 H ALA 13 47.405 2.725 -3.657
77 HA ALA 13 HA ALA 13 49.958 1.889 -2.740
78 1HB ALA 13 1HB ALA 13 49.165 -0.360 -3.055
79 2HB ALA 13 2HB ALA 13 47.855 0.206 -4.092
80 3HB ALA 13 3HB ALA 13 47.861 0.615 -2.376
81 H GLY 14 H GLY 14 51.782 1.836 -3.867
82 1HA GLY 14 1HA GLY 14 53.196 1.189 -5.610
83 2HA GLY 14 2HA GLY 14 51.788 0.770 -6.569
84 H ASN 15 H ASN 15 52.582 3.866 -5.029
85 HA ASN 15 HA ASN 15 52.580 5.113 -7.677
86 1HB ASN 15 1HB ASN 15 51.878 7.167 -6.461
87 2HB ASN 15 2HB ASN 15 50.704 5.861 -6.346
88 1HD2 ASN 15 1HD2 ASN 15 49.957 7.171 -4.525
89 2HD2 ASN 15 2HD2 ASN 15 50.694 6.922 -2.978
90 H LYS 16 H LYS 16 54.709 3.922 -5.764
91 HA LYS 16 HA LYS 16 56.888 4.256 -5.356
92 1HB LYS 16 1HB LYS 16 56.881 6.866 -6.799
93 2HB LYS 16 2HB LYS 16 58.111 5.603 -6.778
94 1HG LYS 16 1HG LYS 16 55.522 5.656 -8.296
95 2HG LYS 16 2HG LYS 16 57.162 5.564 -8.919
96 1HD LYS 16 1HD LYS 16 57.085 3.352 -7.355
97 2HD LYS 16 2HD LYS 16 55.410 3.441 -7.905
98 1HE LYS 16 1HE LYS 16 56.572 2.102 -9.479
99 2HE LYS 16 2HE LYS 16 56.307 3.667 -10.246
100 1HZ LYS 16 1HZ LYS 16 58.832 2.848 -8.916
101 2HZ LYS 16 2HZ LYS 16 58.565 4.281 -9.771
102 3HZ LYS 16 3HZ LYS 16 58.564 2.800 -10.586
103 H VAL 17 H VAL 17 54.589 5.828 -3.931
104 HA VAL 17 HA VAL 17 56.241 7.824 -2.565
105 HB VAL 17 HB VAL 17 53.318 7.435 -2.005
106 1HG1 VAL 17 1HG1 VAL 17 53.428 9.470 -1.019
107 2HG1 VAL 17 2HG1 VAL 17 54.577 10.099 -2.199
108 3HG1 VAL 17 3HG1 VAL 17 55.140 9.068 -0.884
109 1HG2 VAL 17 1HG2 VAL 17 53.832 7.630 -4.532
110 2HG2 VAL 17 2HG2 VAL 17 54.258 9.298 -4.158
111 3HG2 VAL 17 3HG2 VAL 17 52.628 8.709 -3.829
112 H CYS 18 H CYS 18 54.191 7.413 -0.250
113 HA CYS 18 HA CYS 18 54.892 4.894 0.881
114 1HB CYS 18 1HB CYS 18 56.980 6.106 1.271
115 2HB CYS 18 2HB CYS 18 56.081 7.418 2.021
116 H SER 19 H SER 19 52.922 4.429 1.536
117 HA SER 19 HA SER 19 51.557 6.292 3.362
118 1HB SER 19 1HB SER 19 50.577 5.073 0.884
119 2HB SER 19 2HB SER 19 49.529 4.753 2.266
120 HG SER 19 HG SER 19 49.706 7.108 2.647
121 H LEU 20 H LEU 20 51.756 5.475 5.263
122 HA LEU 20 HA LEU 20 52.213 2.758 5.873
123 1HB LEU 20 1HB LEU 20 51.308 5.091 7.541
124 2HB LEU 20 2HB LEU 20 51.796 3.539 8.214
125 HG LEU 20 HG LEU 20 53.644 5.058 6.430
126 1HD1 LEU 20 1HD1 LEU 20 53.195 5.555 9.367
127 2HD1 LEU 20 2HD1 LEU 20 53.025 6.710 8.046
128 3HD1 LEU 20 3HD1 LEU 20 54.619 6.092 8.478
129 1HD2 LEU 20 1HD2 LEU 20 54.688 3.097 6.843
130 2HD2 LEU 20 2HD2 LEU 20 53.793 2.810 8.336
131 3HD2 LEU 20 3HD2 LEU 20 55.163 3.921 8.329
132 H GLN 21 H GLN 21 49.364 4.796 5.880
133 HA GLN 21 HA GLN 21 47.626 2.945 7.119
134 1HB GLN 21 1HB GLN 21 45.957 4.484 6.781
135 2HB GLN 21 2HB GLN 21 47.370 5.520 6.661
136 1HG GLN 21 1HG GLN 21 45.832 4.363 4.347
137 2HG GLN 21 2HG GLN 21 45.727 6.020 4.938
138 1HE2 GLN 21 1HE2 GLN 21 46.311 5.589 2.347
139 2HE2 GLN 21 2HE2 GLN 21 47.970 5.969 2.024
140 H CYS 22 H CYS 22 49.103 2.810 4.101
141 HA CYS 22 HA CYS 22 46.985 1.042 3.069
142 1HB CYS 22 1HB CYS 22 48.917 2.868 1.667
143 2HB CYS 22 2HB CYS 22 48.231 1.485 0.829
144 H ASN 23 H ASN 23 50.208 1.338 4.156
145 HA ASN 23 HA ASN 23 51.332 -0.881 2.832
146 1HB ASN 23 1HB ASN 23 52.372 1.233 3.937
147 2HB ASN 23 2HB ASN 23 52.285 0.273 5.409
148 1HD2 ASN 23 1HD2 ASN 23 54.594 1.071 4.762
149 2HD2 ASN 23 2HD2 ASN 23 55.580 -0.180 4.084
150 H ASN 24 H ASN 24 49.072 -1.963 3.697
151 HA ASN 24 HA ASN 24 49.875 -3.488 6.068
152 1HB ASN 24 1HB ASN 24 47.200 -3.959 5.933
153 2HB ASN 24 2HB ASN 24 47.970 -2.823 7.010
154 1HD2 ASN 24 1HD2 ASN 24 48.468 -0.653 5.689
155 2HD2 ASN 24 2HD2 ASN 24 47.067 -0.003 4.901
156 H HIS 25 H HIS 25 48.445 -5.524 6.178
157 HA HIS 25 HA HIS 25 49.287 -7.125 3.937
158 1HB HIS 25 1HB HIS 25 49.657 -7.891 6.198
159 2HB HIS 25 2HB HIS 25 47.938 -7.763 6.558
160 HD1 HIS 25 HD1 HIS 25 48.075 -10.352 7.188
161 HD2 HIS 25 HD2 HIS 25 48.743 -9.422 3.199
162 HE1 HIS 25 HE1 HIS 25 47.854 -12.531 5.948
163 HE2 HIS 25 HE2 HIS 25 48.358 -11.961 3.544
164 H ALA 26 H ALA 26 46.363 -5.785 5.253
165 HA ALA 26 HA ALA 26 44.664 -7.438 3.583
166 1HB ALA 26 1HB ALA 26 42.832 -6.086 4.674
167 2HB ALA 26 2HB ALA 26 44.096 -5.358 5.667
168 3HB ALA 26 3HB ALA 26 43.810 -7.096 5.739
169 H CYS 27 H CYS 27 46.250 -4.386 3.282
170 HA CYS 27 HA CYS 27 44.252 -3.521 1.309
171 1HB CYS 27 1HB CYS 27 46.321 -2.099 2.907
172 2HB CYS 27 2HB CYS 27 45.919 -1.450 1.322
173 H GLY 28 H GLY 28 47.506 -4.662 1.671
174 1HA GLY 28 1HA GLY 28 48.245 -5.845 -0.428
175 2HA GLY 28 2HA GLY 28 47.884 -4.332 -1.246
176 H TRP 29 H TRP 29 49.081 -3.609 1.781
177 HA TRP 29 HA TRP 29 51.027 -2.924 2.586
178 1HB TRP 29 1HB TRP 29 52.142 -4.713 0.413
179 2HB TRP 29 2HB TRP 29 53.144 -3.889 1.601
180 HD1 TRP 29 HD1 TRP 29 51.679 -7.148 1.112
181 HE1 TRP 29 HE1 TRP 29 51.397 -8.352 3.376
182 HE3 TRP 29 HE3 TRP 29 52.227 -3.214 4.229
183 HZ2 TRP 29 HZ2 TRP 29 51.418 -7.722 6.064
184 HZ3 TRP 29 HZ3 TRP 29 52.034 -3.544 6.629
185 HH2 TRP 29 HH2 TRP 29 51.653 -5.788 7.555
186 H ASP 30 H ASP 30 49.619 -1.264 0.974
187 HA ASP 30 HA ASP 30 49.697 0.551 -0.403
188 1HB ASP 30 1HB ASP 30 50.862 1.304 1.641
189 2HB ASP 30 2HB ASP 30 52.390 0.816 0.940
190 H GLY 31 H GLY 31 50.691 -1.928 -1.588
191 1HA GLY 31 1HA GLY 31 51.575 -2.590 -3.594
192 2HA GLY 31 2HA GLY 31 51.639 -0.892 -4.028
193 H GLY 32 H GLY 32 53.395 -1.354 -1.204
194 1HA GLY 32 1HA GLY 32 55.652 -1.865 -0.821
195 2HA GLY 32 2HA GLY 32 55.857 -2.150 -2.547
196 H ASP 33 H ASP 33 54.301 0.658 -1.232
197 HA ASP 33 HA ASP 33 56.201 2.386 -2.564
198 1HB ASP 33 1HB ASP 33 53.542 2.727 -1.244
199 2HB ASP 33 2HB ASP 33 54.549 4.134 -1.535
200 H CYS 34 H CYS 34 54.962 1.877 0.723
201 HA CYS 34 HA CYS 34 56.837 3.742 1.857
202 1HB CYS 34 1HB CYS 34 54.648 2.031 2.845
203 2HB CYS 34 2HB CYS 34 55.985 2.208 3.971
204 H SER 35 H SER 35 56.322 0.243 2.285
205 HA SER 35 HA SER 35 58.982 -0.519 1.818
206 1HB SER 35 1HB SER 35 58.922 0.793 4.171
207 2HB SER 35 2HB SER 35 58.522 -0.830 4.733
208 HG SER 35 HG SER 35 60.888 0.028 4.323
Start of MODEL 14
1 1H GLU 1 1H GLU 1 37.994 -9.812 10.009
2 2H GLU 1 2H GLU 1 37.898 -8.165 9.539
3 3H GLU 1 3H GLU 1 39.420 -8.868 9.903
4 HA GLU 1 HA GLU 1 38.985 -10.447 8.054
5 1HB GLU 1 1HB GLU 1 36.497 -9.252 8.171
6 2HB GLU 1 2HB GLU 1 37.232 -8.482 6.771
7 1HG GLU 1 1HG GLU 1 37.398 -10.465 5.601
8 2HG GLU 1 2HG GLU 1 37.319 -11.451 7.060
9 H GLU 2 H GLU 2 39.717 -9.796 5.831
10 HA GLU 2 HA GLU 2 41.237 -7.272 5.948
11 1HB GLU 2 1HB GLU 2 42.879 -8.504 4.418
12 2HB GLU 2 2HB GLU 2 42.863 -8.960 6.116
13 1HG GLU 2 1HG GLU 2 42.208 -11.046 5.673
14 2HG GLU 2 2HG GLU 2 41.042 -10.526 4.456
15 H ALA 3 H ALA 3 39.913 -5.985 4.745
16 HA ALA 3 HA ALA 3 39.704 -6.655 1.910
17 1HB ALA 3 1HB ALA 3 37.446 -6.505 1.748
18 2HB ALA 3 2HB ALA 3 37.319 -5.363 3.086
19 3HB ALA 3 3HB ALA 3 37.541 -7.082 3.412
20 H CYS 4 H CYS 4 41.130 -4.724 3.824
21 HA CYS 4 HA CYS 4 41.943 -2.601 3.697
22 1HB CYS 4 1HB CYS 4 42.165 -3.376 1.306
23 2HB CYS 4 2HB CYS 4 40.662 -2.540 0.968
24 H GLU 5 H GLU 5 41.296 -0.536 4.255
25 HA GLU 5 HA GLU 5 38.412 -0.004 4.115
26 1HB GLU 5 1HB GLU 5 38.559 1.136 6.261
27 2HB GLU 5 2HB GLU 5 39.127 -0.520 6.413
28 1HG GLU 5 1HG GLU 5 41.179 1.517 5.832
29 2HG GLU 5 2HG GLU 5 40.422 1.593 7.422
30 H LEU 6 H LEU 6 40.950 0.807 2.538
31 HA LEU 6 HA LEU 6 40.245 3.655 2.419
32 1HB LEU 6 1HB LEU 6 42.958 2.406 2.592
33 2HB LEU 6 2HB LEU 6 42.739 3.947 1.783
34 HG LEU 6 HG LEU 6 42.002 3.392 4.658
35 1HD1 LEU 6 1HD1 LEU 6 44.522 3.540 3.751
36 2HD1 LEU 6 2HD1 LEU 6 44.019 4.147 5.330
37 3HD1 LEU 6 3HD1 LEU 6 44.180 5.257 3.968
38 1HD2 LEU 6 1HD2 LEU 6 40.613 5.122 3.823
39 2HD2 LEU 6 2HD2 LEU 6 41.955 5.881 2.967
40 3HD2 LEU 6 3HD2 LEU 6 41.906 5.908 4.730
41 HA PRO 7 HA PRO 7 39.640 2.212 -1.802
42 1HB PRO 7 1HB PRO 7 38.514 4.904 -2.139
43 2HB PRO 7 2HB PRO 7 37.742 3.335 -2.375
44 1HG PRO 7 1HG PRO 7 37.105 4.959 -0.316
45 2HG PRO 7 2HG PRO 7 37.057 3.191 -0.183
46 1HD PRO 7 1HD PRO 7 39.133 5.112 0.798
47 2HD PRO 7 2HD PRO 7 38.495 3.644 1.576
48 H GLU 8 H GLU 8 41.406 4.745 -0.387
49 HA GLU 8 HA GLU 8 42.378 5.968 -2.791
50 1HB GLU 8 1HB GLU 8 44.073 6.992 -1.245
51 2HB GLU 8 2HB GLU 8 42.397 7.293 -0.809
52 1HG GLU 8 1HG GLU 8 42.481 5.746 0.970
53 2HG GLU 8 2HG GLU 8 44.020 5.087 0.419
54 H CYS 9 H CYS 9 43.577 3.462 -0.590
55 HA CYS 9 HA CYS 9 46.151 3.180 -1.529
56 1HB CYS 9 1HB CYS 9 44.331 0.911 -0.713
57 2HB CYS 9 2HB CYS 9 46.093 0.930 -0.664
58 H GLN 10 H GLN 10 43.188 2.351 -3.113
59 HA GLN 10 HA GLN 10 44.094 0.409 -4.908
60 1HB GLN 10 1HB GLN 10 41.708 1.687 -4.447
61 2HB GLN 10 2HB GLN 10 42.158 2.312 -6.027
62 1HG GLN 10 1HG GLN 10 42.491 -0.576 -5.766
63 2HG GLN 10 2HG GLN 10 40.829 -0.023 -5.559
64 1HE2 GLN 10 1HE2 GLN 10 43.537 -0.224 -7.737
65 2HE2 GLN 10 2HE2 GLN 10 42.658 0.128 -9.182
66 H GLU 11 H GLU 11 44.445 3.887 -4.893
67 HA GLU 11 HA GLU 11 45.935 3.715 -7.434
68 1HB GLU 11 1HB GLU 11 44.589 6.156 -6.261
69 2HB GLU 11 2HB GLU 11 45.397 6.054 -7.819
70 1HG GLU 11 1HG GLU 11 42.968 4.444 -7.084
71 2HG GLU 11 2HG GLU 11 42.910 5.996 -7.919
72 H ASP 12 H ASP 12 45.869 4.816 -4.147
73 HA ASP 12 HA ASP 12 48.251 6.321 -4.180
74 1HB ASP 12 1HB ASP 12 46.209 5.447 -2.299
75 2HB ASP 12 2HB ASP 12 47.792 5.512 -1.592
76 H ALA 13 H ALA 13 47.675 2.981 -4.297
77 HA ALA 13 HA ALA 13 50.132 2.257 -2.912
78 1HB ALA 13 1HB ALA 13 49.470 -0.056 -3.377
79 2HB ALA 13 2HB ALA 13 48.102 0.528 -4.324
80 3HB ALA 13 3HB ALA 13 48.174 0.844 -2.590
81 H GLY 14 H GLY 14 51.953 1.400 -3.898
82 1HA GLY 14 1HA GLY 14 53.477 1.026 -5.588
83 2HA GLY 14 2HA GLY 14 52.107 0.709 -6.638
84 H ASN 15 H ASN 15 52.974 3.711 -4.946
85 HA ASN 15 HA ASN 15 53.187 5.031 -7.549
86 1HB ASN 15 1HB ASN 15 52.454 7.073 -6.280
87 2HB ASN 15 2HB ASN 15 51.235 5.812 -6.420
88 1HD2 ASN 15 1HD2 ASN 15 50.452 7.259 -4.607
89 2HD2 ASN 15 2HD2 ASN 15 50.896 6.767 -3.009
90 H LYS 16 H LYS 16 55.145 3.755 -5.513
91 HA LYS 16 HA LYS 16 57.283 4.058 -4.900
92 1HB LYS 16 1HB LYS 16 57.448 6.665 -6.333
93 2HB LYS 16 2HB LYS 16 58.639 5.369 -6.226
94 1HG LYS 16 1HG LYS 16 56.168 5.489 -7.930
95 2HG LYS 16 2HG LYS 16 57.848 5.379 -8.439
96 1HD LYS 16 1HD LYS 16 57.609 3.155 -6.892
97 2HD LYS 16 2HD LYS 16 55.994 3.274 -7.594
98 1HE LYS 16 1HE LYS 16 58.406 3.552 -9.338
99 2HE LYS 16 2HE LYS 16 57.866 1.950 -8.836
100 1HZ LYS 16 1HZ LYS 16 56.965 3.179 -11.006
101 2HZ LYS 16 2HZ LYS 16 55.816 3.720 -9.890
102 3HZ LYS 16 3HZ LYS 16 56.044 2.061 -10.132
103 H VAL 17 H VAL 17 54.902 5.702 -3.675
104 HA VAL 17 HA VAL 17 56.465 7.692 -2.205
105 HB VAL 17 HB VAL 17 53.534 7.268 -1.740
106 1HG1 VAL 17 1HG1 VAL 17 55.303 8.974 -0.644
107 2HG1 VAL 17 2HG1 VAL 17 53.587 9.336 -0.826
108 3HG1 VAL 17 3HG1 VAL 17 54.748 9.946 -2.006
109 1HG2 VAL 17 1HG2 VAL 17 52.863 8.476 -3.621
110 2HG2 VAL 17 2HG2 VAL 17 54.081 7.376 -4.259
111 3HG2 VAL 17 3HG2 VAL 17 54.493 9.059 -3.947
112 H CYS 18 H CYS 18 54.364 7.288 0.043
113 HA CYS 18 HA CYS 18 54.961 4.740 1.153
114 1HB CYS 18 1HB CYS 18 57.092 5.879 1.586
115 2HB CYS 18 2HB CYS 18 56.225 7.179 2.394
116 H SER 19 H SER 19 52.975 4.340 1.764
117 HA SER 19 HA SER 19 51.668 6.183 3.647
118 1HB SER 19 1HB SER 19 49.545 4.891 2.501
119 2HB SER 19 2HB SER 19 50.109 6.491 2.016
120 HG SER 19 HG SER 19 50.002 4.309 0.546
121 H LEU 20 H LEU 20 51.809 5.250 5.502
122 HA LEU 20 HA LEU 20 52.120 2.484 5.962
123 1HB LEU 20 1HB LEU 20 51.300 4.759 7.752
124 2HB LEU 20 2HB LEU 20 51.706 3.151 8.339
125 HG LEU 20 HG LEU 20 53.651 4.671 6.666
126 1HD1 LEU 20 1HD1 LEU 20 52.860 5.256 9.465
127 2HD1 LEU 20 2HD1 LEU 20 53.448 6.339 8.203
128 3HD1 LEU 20 3HD1 LEU 20 54.578 5.298 9.068
129 1HD2 LEU 20 1HD2 LEU 20 53.981 2.265 7.263
130 2HD2 LEU 20 2HD2 LEU 20 54.081 2.759 8.953
131 3HD2 LEU 20 3HD2 LEU 20 55.278 3.335 7.793
132 H GLN 21 H GLN 21 49.388 4.645 5.949
133 HA GLN 21 HA GLN 21 47.516 2.834 7.079
134 1HB GLN 21 1HB GLN 21 46.021 4.551 5.462
135 2HB GLN 21 2HB GLN 21 46.330 4.718 7.180
136 1HG GLN 21 1HG GLN 21 46.825 6.783 6.103
137 2HG GLN 21 2HG GLN 21 48.337 6.061 6.646
138 1HE2 GLN 21 1HE2 GLN 21 46.330 5.474 3.781
139 2HE2 GLN 21 2HE2 GLN 21 47.577 5.814 2.627
140 H CYS 22 H CYS 22 49.111 2.703 4.150
141 HA CYS 22 HA CYS 22 46.936 1.117 2.954
142 1HB CYS 22 1HB CYS 22 49.036 2.871 1.695
143 2HB CYS 22 2HB CYS 22 48.251 1.592 0.776
144 H ASN 23 H ASN 23 50.120 1.189 4.177
145 HA ASN 23 HA ASN 23 51.181 -1.025 2.786
146 1HB ASN 23 1HB ASN 23 52.270 1.002 4.025
147 2HB ASN 23 2HB ASN 23 52.130 -0.045 5.431
148 1HD2 ASN 23 1HD2 ASN 23 54.475 0.756 4.776
149 2HD2 ASN 23 2HD2 ASN 23 55.420 -0.507 4.064
150 H ASN 24 H ASN 24 48.835 -2.017 3.571
151 HA ASN 24 HA ASN 24 49.530 -3.679 5.883
152 1HB ASN 24 1HB ASN 24 46.838 -4.004 5.709
153 2HB ASN 24 2HB ASN 24 47.654 -2.952 6.835
154 1HD2 ASN 24 1HD2 ASN 24 48.273 -0.757 5.600
155 2HD2 ASN 24 2HD2 ASN 24 46.913 -0.010 4.828
156 H HIS 25 H HIS 25 47.990 -5.638 5.892
157 HA HIS 25 HA HIS 25 48.779 -7.189 3.599
158 1HB HIS 25 1HB HIS 25 49.078 -8.059 5.833
159 2HB HIS 25 2HB HIS 25 47.362 -7.855 6.178
160 HD1 HIS 25 HD1 HIS 25 47.347 -10.465 6.710
161 HD2 HIS 25 HD2 HIS 25 48.138 -9.433 2.770
162 HE1 HIS 25 HE1 HIS 25 47.035 -12.585 5.390
163 HE2 HIS 25 HE2 HIS 25 47.431 -11.916 2.991
164 H ALA 26 H ALA 26 45.906 -5.763 4.941
165 HA ALA 26 HA ALA 26 44.150 -7.251 3.178
166 1HB ALA 26 1HB ALA 26 42.342 -6.203 4.348
167 2HB ALA 26 2HB ALA 26 43.450 -5.078 5.134
168 3HB ALA 26 3HB ALA 26 43.521 -6.799 5.517
169 H CYS 27 H CYS 27 45.895 -4.282 3.015
170 HA CYS 27 HA CYS 27 43.953 -3.227 1.075
171 1HB CYS 27 1HB CYS 27 46.074 -1.978 2.752
172 2HB CYS 27 2HB CYS 27 45.692 -1.231 1.205
173 H GLY 28 H GLY 28 47.155 -4.523 1.405
174 1HA GLY 28 1HA GLY 28 47.848 -5.631 -0.757
175 2HA GLY 28 2HA GLY 28 47.578 -4.053 -1.486
176 H TRP 29 H TRP 29 48.783 -3.588 1.589
177 HA TRP 29 HA TRP 29 50.757 -3.051 2.444
178 1HB TRP 29 1HB TRP 29 51.777 -4.801 0.196
179 2HB TRP 29 2HB TRP 29 52.826 -4.086 1.417
180 HD1 TRP 29 HD1 TRP 29 51.182 -7.235 0.799
181 HE1 TRP 29 HE1 TRP 29 50.816 -8.505 3.016
182 HE3 TRP 29 HE3 TRP 29 51.925 -3.456 4.063
183 HZ2 TRP 29 HZ2 TRP 29 50.851 -7.976 5.726
184 HZ3 TRP 29 HZ3 TRP 29 51.698 -3.862 6.447
185 HH2 TRP 29 HH2 TRP 29 51.185 -6.115 7.289
186 H ASP 30 H ASP 30 49.457 -1.254 0.839
187 HA ASP 30 HA ASP 30 49.676 0.630 -0.415
188 1HB ASP 30 1HB ASP 30 50.858 1.242 1.652
189 2HB ASP 30 2HB ASP 30 52.356 0.636 0.983
190 H GLY 31 H GLY 31 50.602 -1.897 -1.669
191 1HA GLY 31 1HA GLY 31 51.442 -2.495 -3.717
192 2HA GLY 31 2HA GLY 31 51.616 -0.784 -4.065
193 H GLY 32 H GLY 32 53.337 -1.136 -1.314
194 1HA GLY 32 1HA GLY 32 55.541 -1.939 -0.904
195 2HA GLY 32 2HA GLY 32 55.752 -2.144 -2.640
196 H ASP 33 H ASP 33 54.333 0.707 -1.240
197 HA ASP 33 HA ASP 33 56.410 2.337 -2.420
198 1HB ASP 33 1HB ASP 33 53.969 3.232 -0.888
199 2HB ASP 33 2HB ASP 33 54.942 4.174 -2.004
200 H CYS 34 H CYS 34 55.000 1.740 0.784
201 HA CYS 34 HA CYS 34 56.898 3.480 2.075
202 1HB CYS 34 1HB CYS 34 54.624 1.801 2.912
203 2HB CYS 34 2HB CYS 34 55.931 1.874 4.082
204 H SER 35 H SER 35 56.258 -0.019 2.321
205 HA SER 35 HA SER 35 57.613 -1.808 2.696
206 1HB SER 35 1HB SER 35 58.709 -0.850 0.609
207 2HB SER 35 2HB SER 35 59.897 -0.112 1.683
208 HG SER 35 HG SER 35 60.671 -2.099 0.993
Start of MODEL 15
1 1H GLU 1 1H GLU 1 37.745 -5.867 7.500
2 2H GLU 1 2H GLU 1 38.656 -6.052 8.942
3 3H GLU 1 3H GLU 1 37.057 -6.668 8.850
4 HA GLU 1 HA GLU 1 38.829 -8.337 8.666
5 1HB GLU 1 1HB GLU 1 36.394 -8.282 7.649
6 2HB GLU 1 2HB GLU 1 37.260 -8.238 6.120
7 1HG GLU 1 1HG GLU 1 37.992 -10.371 6.309
8 2HG GLU 1 2HG GLU 1 38.094 -10.297 8.068
9 H GLU 2 H GLU 2 39.876 -9.527 6.673
10 HA GLU 2 HA GLU 2 41.964 -7.800 5.745
11 1HB GLU 2 1HB GLU 2 41.895 -10.421 6.329
12 2HB GLU 2 2HB GLU 2 41.665 -10.517 4.589
13 1HG GLU 2 1HG GLU 2 43.943 -10.665 4.767
14 2HG GLU 2 2HG GLU 2 43.722 -8.937 4.495
15 H ALA 3 H ALA 3 40.137 -6.460 4.655
16 HA ALA 3 HA ALA 3 40.178 -7.162 1.822
17 1HB ALA 3 1HB ALA 3 37.936 -7.163 1.496
18 2HB ALA 3 2HB ALA 3 37.642 -5.992 2.782
19 3HB ALA 3 3HB ALA 3 37.932 -7.686 3.180
20 H CYS 4 H CYS 4 41.365 -5.147 3.797
21 HA CYS 4 HA CYS 4 42.065 -2.985 3.706
22 1HB CYS 4 1HB CYS 4 42.489 -3.750 1.347
23 2HB CYS 4 2HB CYS 4 40.962 -3.015 0.901
24 H GLU 5 H GLU 5 41.262 -1.006 4.293
25 HA GLU 5 HA GLU 5 38.389 -0.574 3.887
26 1HB GLU 5 1HB GLU 5 38.303 0.522 6.072
27 2HB GLU 5 2HB GLU 5 38.868 -1.136 6.225
28 1HG GLU 5 1HG GLU 5 41.229 0.059 6.029
29 2HG GLU 5 2HG GLU 5 40.303 1.413 6.678
30 H LEU 6 H LEU 6 41.039 0.362 2.595
31 HA LEU 6 HA LEU 6 40.361 3.225 2.622
32 1HB LEU 6 1HB LEU 6 42.977 1.828 2.739
33 2HB LEU 6 2HB LEU 6 42.889 3.310 1.806
34 HG LEU 6 HG LEU 6 41.840 4.328 3.950
35 1HD1 LEU 6 1HD1 LEU 6 43.146 3.049 5.904
36 2HD1 LEU 6 2HD1 LEU 6 42.763 1.677 4.865
37 3HD1 LEU 6 3HD1 LEU 6 41.468 2.706 5.479
38 1HD2 LEU 6 1HD2 LEU 6 44.006 4.979 4.730
39 2HD2 LEU 6 2HD2 LEU 6 44.074 4.841 2.973
40 3HD2 LEU 6 3HD2 LEU 6 44.755 3.567 3.984
41 HA PRO 7 HA PRO 7 39.534 2.109 -1.652
42 1HB PRO 7 1HB PRO 7 38.249 4.436 -2.235
43 2HB PRO 7 2HB PRO 7 37.458 3.079 -1.425
44 1HG PRO 7 1HG PRO 7 38.570 5.595 -0.262
45 2HG PRO 7 2HG PRO 7 37.083 4.726 0.157
46 1HD PRO 7 1HD PRO 7 39.373 4.556 1.622
47 2HD PRO 7 2HD PRO 7 38.192 3.236 1.520
48 H GLU 8 H GLU 8 41.448 4.458 -0.156
49 HA GLU 8 HA GLU 8 42.295 5.811 -2.563
50 1HB GLU 8 1HB GLU 8 44.020 6.826 -1.046
51 2HB GLU 8 2HB GLU 8 42.353 7.111 -0.571
52 1HG GLU 8 1HG GLU 8 43.526 4.730 0.637
53 2HG GLU 8 2HG GLU 8 44.348 6.227 1.065
54 H CYS 9 H CYS 9 43.536 3.230 -0.480
55 HA CYS 9 HA CYS 9 46.100 3.008 -1.485
56 1HB CYS 9 1HB CYS 9 44.331 0.683 -0.713
57 2HB CYS 9 2HB CYS 9 46.093 0.747 -0.673
58 H GLN 10 H GLN 10 43.100 2.226 -3.017
59 HA GLN 10 HA GLN 10 43.958 0.341 -4.895
60 1HB GLN 10 1HB GLN 10 41.881 2.480 -5.371
61 2HB GLN 10 2HB GLN 10 41.998 0.915 -6.164
62 1HG GLN 10 1HG GLN 10 41.845 0.536 -3.337
63 2HG GLN 10 2HG GLN 10 40.537 1.594 -3.862
64 1HE2 GLN 10 1HE2 GLN 10 39.750 0.707 -6.199
65 2HE2 GLN 10 2HE2 GLN 10 39.244 -0.943 -6.136
66 H GLU 11 H GLU 11 44.307 3.819 -4.787
67 HA GLU 11 HA GLU 11 45.734 3.719 -7.369
68 1HB GLU 11 1HB GLU 11 43.995 5.822 -6.133
69 2HB GLU 11 2HB GLU 11 45.279 6.303 -7.234
70 1HG GLU 11 1HG GLU 11 44.167 4.419 -8.736
71 2HG GLU 11 2HG GLU 11 42.757 4.850 -7.770
72 H ASP 12 H ASP 12 45.755 4.724 -4.051
73 HA ASP 12 HA ASP 12 48.119 6.254 -4.104
74 1HB ASP 12 1HB ASP 12 46.151 5.281 -2.192
75 2HB ASP 12 2HB ASP 12 47.755 5.343 -1.536
76 H ALA 13 H ALA 13 47.450 2.846 -3.887
77 HA ALA 13 HA ALA 13 49.996 2.132 -2.765
78 1HB ALA 13 1HB ALA 13 48.047 0.701 -2.437
79 2HB ALA 13 2HB ALA 13 49.340 -0.172 -3.261
80 3HB ALA 13 3HB ALA 13 47.953 0.418 -4.175
81 H GLY 14 H GLY 14 51.874 2.007 -3.806
82 1HA GLY 14 1HA GLY 14 53.364 1.511 -5.523
83 2HA GLY 14 2HA GLY 14 52.000 1.092 -6.548
84 H ASN 15 H ASN 15 52.636 4.148 -4.863
85 HA ASN 15 HA ASN 15 52.695 5.498 -7.459
86 1HB ASN 15 1HB ASN 15 51.900 7.485 -6.176
87 2HB ASN 15 2HB ASN 15 50.756 6.149 -6.179
88 1HD2 ASN 15 1HD2 ASN 15 49.921 7.399 -4.335
89 2HD2 ASN 15 2HD2 ASN 15 50.579 7.066 -2.769
90 H LYS 16 H LYS 16 54.794 4.283 -5.543
91 HA LYS 16 HA LYS 16 56.948 4.657 -5.050
92 1HB LYS 16 1HB LYS 16 56.909 7.331 -6.367
93 2HB LYS 16 2HB LYS 16 58.174 6.104 -6.368
94 1HG LYS 16 1HG LYS 16 55.631 6.155 -7.962
95 2HG LYS 16 2HG LYS 16 57.291 6.144 -8.538
96 1HD LYS 16 1HD LYS 16 57.268 3.857 -7.112
97 2HD LYS 16 2HD LYS 16 55.585 3.920 -7.643
98 1HE LYS 16 1HE LYS 16 56.659 4.450 -9.972
99 2HE LYS 16 2HE LYS 16 58.084 3.692 -9.261
100 1HZ LYS 16 1HZ LYS 16 57.130 1.667 -9.286
101 2HZ LYS 16 2HZ LYS 16 56.193 2.334 -10.526
102 3HZ LYS 16 3HZ LYS 16 55.577 2.253 -8.953
103 H VAL 17 H VAL 17 54.565 6.093 -3.626
104 HA VAL 17 HA VAL 17 56.109 8.074 -2.124
105 HB VAL 17 HB VAL 17 53.190 7.544 -1.661
106 1HG1 VAL 17 1HG1 VAL 17 54.335 10.264 -1.679
107 2HG1 VAL 17 2HG1 VAL 17 54.923 9.189 -0.412
108 3HG1 VAL 17 3HG1 VAL 17 53.197 9.517 -0.557
109 1HG2 VAL 17 1HG2 VAL 17 54.129 9.542 -3.692
110 2HG2 VAL 17 2HG2 VAL 17 52.506 8.906 -3.431
111 3HG2 VAL 17 3HG2 VAL 17 53.747 7.885 -4.154
112 H CYS 18 H CYS 18 54.038 7.481 0.126
113 HA CYS 18 HA CYS 18 54.771 4.933 1.150
114 1HB CYS 18 1HB CYS 18 56.851 6.128 1.609
115 2HB CYS 18 2HB CYS 18 55.945 7.409 2.403
116 H SER 19 H SER 19 52.803 4.431 1.774
117 HA SER 19 HA SER 19 51.439 6.186 3.703
118 1HB SER 19 1HB SER 19 49.378 4.775 2.543
119 2HB SER 19 2HB SER 19 49.820 6.433 2.134
120 HG SER 19 HG SER 19 50.690 5.770 0.307
121 H LEU 20 H LEU 20 51.640 5.243 5.548
122 HA LEU 20 HA LEU 20 52.083 2.495 5.987
123 1HB LEU 20 1HB LEU 20 51.152 4.716 7.791
124 2HB LEU 20 2HB LEU 20 51.623 3.123 8.369
125 HG LEU 20 HG LEU 20 53.506 4.753 6.724
126 1HD1 LEU 20 1HD1 LEU 20 52.457 5.904 8.895
127 2HD1 LEU 20 2HD1 LEU 20 54.139 6.121 8.413
128 3HD1 LEU 20 3HD1 LEU 20 53.725 4.950 9.665
129 1HD2 LEU 20 1HD2 LEU 20 53.626 2.390 8.496
130 2HD2 LEU 20 2HD2 LEU 20 55.005 3.488 8.540
131 3HD2 LEU 20 3HD2 LEU 20 54.516 2.746 7.016
132 H GLN 21 H GLN 21 49.252 4.522 6.005
133 HA GLN 21 HA GLN 21 47.456 2.629 7.109
134 1HB GLN 21 1HB GLN 21 45.925 4.282 5.433
135 2HB GLN 21 2HB GLN 21 46.150 4.432 7.165
136 1HG GLN 21 1HG GLN 21 46.600 6.537 6.156
137 2HG GLN 21 2HG GLN 21 48.123 5.869 6.735
138 1HE2 GLN 21 1HE2 GLN 21 46.234 5.278 3.791
139 2HE2 GLN 21 2HE2 GLN 21 47.505 5.691 2.687
140 H CYS 22 H CYS 22 49.068 2.587 4.173
141 HA CYS 22 HA CYS 22 46.991 0.873 2.983
142 1HB CYS 22 1HB CYS 22 48.994 2.730 1.710
143 2HB CYS 22 2HB CYS 22 48.235 1.430 0.798
144 H ASN 23 H ASN 23 50.166 1.114 4.206
145 HA ASN 23 HA ASN 23 51.351 -1.023 2.794
146 1HB ASN 23 1HB ASN 23 52.332 1.047 4.035
147 2HB ASN 23 2HB ASN 23 52.231 0.004 5.448
148 1HD2 ASN 23 1HD2 ASN 23 54.539 0.905 4.838
149 2HD2 ASN 23 2HD2 ASN 23 55.556 -0.306 4.135
150 H ASN 24 H ASN 24 49.049 -2.134 3.584
151 HA ASN 24 HA ASN 24 49.839 -3.791 5.869
152 1HB ASN 24 1HB ASN 24 47.162 -4.238 5.706
153 2HB ASN 24 2HB ASN 24 47.937 -3.163 6.840
154 1HD2 ASN 24 1HD2 ASN 24 48.446 -0.931 5.643
155 2HD2 ASN 24 2HD2 ASN 24 47.052 -0.234 4.885
156 H HIS 25 H HIS 25 48.394 -5.818 5.868
157 HA HIS 25 HA HIS 25 49.227 -7.309 3.548
158 1HB HIS 25 1HB HIS 25 49.588 -8.190 5.771
159 2HB HIS 25 2HB HIS 25 47.868 -8.069 6.132
160 HD1 HIS 25 HD1 HIS 25 47.997 -10.688 6.632
161 HD2 HIS 25 HD2 HIS 25 48.661 -9.561 2.695
162 HE1 HIS 25 HE1 HIS 25 47.761 -12.800 5.285
163 HE2 HIS 25 HE2 HIS 25 48.071 -12.076 2.890
164 H ALA 26 H ALA 26 46.317 -6.006 4.928
165 HA ALA 26 HA ALA 26 44.597 -7.558 3.185
166 1HB ALA 26 1HB ALA 26 42.764 -6.435 4.353
167 2HB ALA 26 2HB ALA 26 43.937 -5.461 5.238
168 3HB ALA 26 3HB ALA 26 43.892 -7.210 5.467
169 H CYS 27 H CYS 27 46.211 -4.506 3.027
170 HA CYS 27 HA CYS 27 44.215 -3.540 1.100
171 1HB CYS 27 1HB CYS 27 46.290 -2.198 2.763
172 2HB CYS 27 2HB CYS 27 45.858 -1.465 1.223
173 H GLY 28 H GLY 28 47.474 -4.697 1.399
174 1HA GLY 28 1HA GLY 28 48.196 -5.760 -0.776
175 2HA GLY 28 2HA GLY 28 47.852 -4.193 -1.493
176 H TRP 29 H TRP 29 49.058 -3.688 1.573
177 HA TRP 29 HA TRP 29 51.012 -3.074 2.420
178 1HB TRP 29 1HB TRP 29 52.097 -4.755 0.151
179 2HB TRP 29 2HB TRP 29 53.119 -4.005 1.373
180 HD1 TRP 29 HD1 TRP 29 51.616 -7.217 0.732
181 HE1 TRP 29 HE1 TRP 29 51.322 -8.525 2.936
182 HE3 TRP 29 HE3 TRP 29 52.203 -3.442 4.034
183 HZ2 TRP 29 HZ2 TRP 29 51.348 -8.025 5.650
184 HZ3 TRP 29 HZ3 TRP 29 52.008 -3.884 6.415
185 HH2 TRP 29 HH2 TRP 29 51.603 -6.168 7.233
186 H ASP 30 H ASP 30 49.610 -1.346 0.802
187 HA ASP 30 HA ASP 30 49.735 0.551 -0.451
188 1HB ASP 30 1HB ASP 30 50.855 1.189 1.660
189 2HB ASP 30 2HB ASP 30 52.397 0.741 0.966
190 H GLY 31 H GLY 31 50.798 -1.887 -1.713
191 1HA GLY 31 1HA GLY 31 51.742 -2.452 -3.720
192 2HA GLY 31 2HA GLY 31 51.774 -0.738 -4.089
193 H GLY 32 H GLY 32 53.484 -1.243 -1.249
194 1HA GLY 32 1HA GLY 32 55.745 -1.728 -0.839
195 2HA GLY 32 2HA GLY 32 55.990 -1.937 -2.569
196 H ASP 33 H ASP 33 54.349 0.781 -1.157
197 HA ASP 33 HA ASP 33 56.239 2.601 -2.382
198 1HB ASP 33 1HB ASP 33 53.545 2.836 -1.115
199 2HB ASP 33 2HB ASP 33 54.533 4.273 -1.312
200 H CYS 34 H CYS 34 54.953 1.909 0.851
201 HA CYS 34 HA CYS 34 56.754 3.772 2.105
202 1HB CYS 34 1HB CYS 34 54.594 1.961 2.973
203 2HB CYS 34 2HB CYS 34 55.906 2.118 4.131
204 H SER 35 H SER 35 56.329 0.245 2.376
205 HA SER 35 HA SER 35 59.017 -0.423 1.918
206 1HB SER 35 1HB SER 35 59.786 -0.968 4.171
207 2HB SER 35 2HB SER 35 59.384 0.746 4.072
208 HG SER 35 HG SER 35 57.699 -1.291 5.110
Start of MODEL 16
1 1H GLU 1 1H GLU 1 37.779 -10.084 9.241
2 2H GLU 1 2H GLU 1 39.457 -9.941 9.573
3 3H GLU 1 3H GLU 1 38.918 -10.242 7.971
4 HA GLU 1 HA GLU 1 37.717 -8.103 8.085
5 1HB GLU 1 1HB GLU 1 38.480 -6.531 9.800
6 2HB GLU 1 2HB GLU 1 37.732 -7.943 10.534
7 1HG GLU 1 1HG GLU 1 40.621 -8.185 10.184
8 2HG GLU 1 2HG GLU 1 40.133 -6.867 11.247
9 H GLU 2 H GLU 2 39.397 -9.155 6.365
10 HA GLU 2 HA GLU 2 41.562 -7.173 6.144
11 1HB GLU 2 1HB GLU 2 42.893 -8.961 4.967
12 2HB GLU 2 2HB GLU 2 42.664 -9.212 6.692
13 1HG GLU 2 1HG GLU 2 41.421 -11.065 6.397
14 2HG GLU 2 2HG GLU 2 40.651 -10.450 4.936
15 H ALA 3 H ALA 3 39.979 -5.988 4.881
16 HA ALA 3 HA ALA 3 40.019 -6.841 2.087
17 1HB ALA 3 1HB ALA 3 37.789 -7.368 3.341
18 2HB ALA 3 2HB ALA 3 37.753 -6.671 1.722
19 3HB ALA 3 3HB ALA 3 37.497 -5.642 3.132
20 H CYS 4 H CYS 4 41.227 -4.743 3.958
21 HA CYS 4 HA CYS 4 41.958 -2.599 3.762
22 1HB CYS 4 1HB CYS 4 42.378 -3.508 1.447
23 2HB CYS 4 2HB CYS 4 40.880 -2.746 0.953
24 H GLU 5 H GLU 5 41.176 -0.597 4.267
25 HA GLU 5 HA GLU 5 38.317 -0.129 3.785
26 1HB GLU 5 1HB GLU 5 38.352 1.191 5.929
27 2HB GLU 5 2HB GLU 5 38.558 -0.544 6.120
28 1HG GLU 5 1HG GLU 5 40.744 -0.359 6.763
29 2HG GLU 5 2HG GLU 5 40.982 1.162 5.904
30 H LEU 6 H LEU 6 40.989 0.713 2.486
31 HA LEU 6 HA LEU 6 40.356 3.587 2.396
32 1HB LEU 6 1HB LEU 6 42.950 2.170 2.635
33 2HB LEU 6 2HB LEU 6 42.903 3.604 1.624
34 HG LEU 6 HG LEU 6 41.697 4.584 3.817
35 1HD1 LEU 6 1HD1 LEU 6 43.796 3.022 5.176
36 2HD1 LEU 6 2HD1 LEU 6 42.318 2.151 4.767
37 3HD1 LEU 6 3HD1 LEU 6 42.239 3.598 5.772
38 1HD2 LEU 6 1HD2 LEU 6 43.463 5.805 2.996
39 2HD2 LEU 6 2HD2 LEU 6 44.558 4.423 2.994
40 3HD2 LEU 6 3HD2 LEU 6 44.136 5.211 4.514
41 HA PRO 7 HA PRO 7 39.562 2.334 -1.852
42 1HB PRO 7 1HB PRO 7 38.580 5.095 -2.069
43 2HB PRO 7 2HB PRO 7 37.714 3.580 -2.329
44 1HG PRO 7 1HG PRO 7 37.229 5.170 -0.203
45 2HG PRO 7 2HG PRO 7 37.084 3.404 -0.124
46 1HD PRO 7 1HD PRO 7 39.296 5.169 0.852
47 2HD PRO 7 2HD PRO 7 38.594 3.718 1.604
48 H GLU 8 H GLU 8 41.539 4.676 -0.405
49 HA GLU 8 HA GLU 8 42.511 5.902 -2.826
50 1HB GLU 8 1HB GLU 8 44.124 5.990 -0.332
51 2HB GLU 8 2HB GLU 8 43.766 7.269 -1.482
52 1HG GLU 8 1HG GLU 8 41.310 6.791 -0.423
53 2HG GLU 8 2HG GLU 8 42.362 6.473 0.955
54 H CYS 9 H CYS 9 43.620 3.362 -0.621
55 HA CYS 9 HA CYS 9 46.169 2.973 -1.591
56 1HB CYS 9 1HB CYS 9 44.300 0.763 -0.728
57 2HB CYS 9 2HB CYS 9 46.062 0.761 -0.667
58 H GLN 10 H GLN 10 43.156 2.248 -3.124
59 HA GLN 10 HA GLN 10 43.979 0.238 -4.896
60 1HB GLN 10 1HB GLN 10 41.649 1.736 -4.446
61 2HB GLN 10 2HB GLN 10 42.076 2.035 -6.126
62 1HG GLN 10 1HG GLN 10 42.233 -0.774 -5.318
63 2HG GLN 10 2HG GLN 10 40.619 -0.073 -5.234
64 1HE2 GLN 10 1HE2 GLN 10 40.505 1.602 -7.305
65 2HE2 GLN 10 2HE2 GLN 10 40.723 0.764 -8.800
66 H GLU 11 H GLU 11 44.419 3.705 -4.943
67 HA GLU 11 HA GLU 11 45.828 3.454 -7.525
68 1HB GLU 11 1HB GLU 11 44.362 5.810 -6.331
69 2HB GLU 11 2HB GLU 11 45.424 5.941 -7.726
70 1HG GLU 11 1HG GLU 11 43.966 4.199 -8.834
71 2HG GLU 11 2HG GLU 11 42.834 4.441 -7.503
72 H ASP 12 H ASP 12 45.896 4.606 -4.255
73 HA ASP 12 HA ASP 12 48.300 6.063 -4.378
74 1HB ASP 12 1HB ASP 12 46.325 5.207 -2.417
75 2HB ASP 12 2HB ASP 12 47.936 5.254 -1.777
76 H ALA 13 H ALA 13 47.529 2.684 -3.943
77 HA ALA 13 HA ALA 13 50.051 1.932 -2.830
78 1HB ALA 13 1HB ALA 13 48.007 0.585 -2.535
79 2HB ALA 13 2HB ALA 13 49.341 -0.350 -3.211
80 3HB ALA 13 3HB ALA 13 48.033 0.203 -4.256
81 H GLY 14 H GLY 14 51.936 1.838 -3.857
82 1HA GLY 14 1HA GLY 14 53.437 1.240 -5.538
83 2HA GLY 14 2HA GLY 14 52.081 0.810 -6.565
84 H ASN 15 H ASN 15 52.753 3.903 -4.965
85 HA ASN 15 HA ASN 15 52.853 5.176 -7.598
86 1HB ASN 15 1HB ASN 15 52.084 7.213 -6.382
87 2HB ASN 15 2HB ASN 15 50.915 5.896 -6.350
88 1HD2 ASN 15 1HD2 ASN 15 50.083 7.193 -4.546
89 2HD2 ASN 15 2HD2 ASN 15 50.735 6.905 -2.968
90 H LYS 16 H LYS 16 54.912 3.987 -5.612
91 HA LYS 16 HA LYS 16 57.068 4.337 -5.113
92 1HB LYS 16 1HB LYS 16 57.093 6.962 -6.525
93 2HB LYS 16 2HB LYS 16 58.335 5.713 -6.467
94 1HG LYS 16 1HG LYS 16 55.811 5.754 -8.091
95 2HG LYS 16 2HG LYS 16 57.476 5.687 -8.646
96 1HD LYS 16 1HD LYS 16 57.394 3.457 -7.137
97 2HD LYS 16 2HD LYS 16 55.717 3.533 -7.684
98 1HE LYS 16 1HE LYS 16 56.258 3.049 -9.817
99 2HE LYS 16 2HE LYS 16 57.730 4.019 -9.771
100 1HZ LYS 16 1HZ LYS 16 58.414 2.014 -8.167
101 2HZ LYS 16 2HZ LYS 16 58.697 2.005 -9.834
102 3HZ LYS 16 3HZ LYS 16 57.352 1.197 -9.201
103 H VAL 17 H VAL 17 54.698 5.873 -3.769
104 HA VAL 17 HA VAL 17 56.265 7.874 -2.318
105 HB VAL 17 HB VAL 17 53.333 7.424 -1.860
106 1HG1 VAL 17 1HG1 VAL 17 54.535 10.115 -1.999
107 2HG1 VAL 17 2HG1 VAL 17 55.093 9.089 -0.677
108 3HG1 VAL 17 3HG1 VAL 17 53.375 9.447 -0.850
109 1HG2 VAL 17 1HG2 VAL 17 54.299 9.326 -3.966
110 2HG2 VAL 17 2HG2 VAL 17 52.676 8.689 -3.699
111 3HG2 VAL 17 3HG2 VAL 17 53.932 7.649 -4.369
112 H CYS 18 H CYS 18 54.158 7.408 -0.073
113 HA CYS 18 HA CYS 18 54.828 4.880 1.046
114 1HB CYS 18 1HB CYS 18 56.919 6.060 1.498
115 2HB CYS 18 2HB CYS 18 56.021 7.379 2.235
116 H SER 19 H SER 19 52.843 4.428 1.655
117 HA SER 19 HA SER 19 51.471 6.274 3.492
118 1HB SER 19 1HB SER 19 50.423 4.884 1.062
119 2HB SER 19 2HB SER 19 49.353 5.013 2.458
120 HG SER 19 HG SER 19 50.148 6.930 0.692
121 H LEU 20 H LEU 20 51.635 5.408 5.378
122 HA LEU 20 HA LEU 20 52.045 2.674 5.936
123 1HB LEU 20 1HB LEU 20 51.118 4.978 7.636
124 2HB LEU 20 2HB LEU 20 51.570 3.407 8.285
125 HG LEU 20 HG LEU 20 53.487 4.931 6.584
126 1HD1 LEU 20 1HD1 LEU 20 52.860 5.450 9.478
127 2HD1 LEU 20 2HD1 LEU 20 52.922 6.605 8.146
128 3HD1 LEU 20 3HD1 LEU 20 54.409 5.871 8.747
129 1HD2 LEU 20 1HD2 LEU 20 54.373 2.861 7.023
130 2HD2 LEU 20 2HD2 LEU 20 53.598 2.743 8.603
131 3HD2 LEU 20 3HD2 LEU 20 55.008 3.780 8.388
132 H GLN 21 H GLN 21 49.233 4.729 5.839
133 HA GLN 21 HA GLN 21 47.413 2.888 6.998
134 1HB GLN 21 1HB GLN 21 45.889 4.497 5.286
135 2HB GLN 21 2HB GLN 21 46.143 4.720 7.006
136 1HG GLN 21 1HG GLN 21 46.593 6.773 5.889
137 2HG GLN 21 2HG GLN 21 48.115 6.124 6.492
138 1HE2 GLN 21 1HE2 GLN 21 46.206 5.402 3.588
139 2HE2 GLN 21 2HE2 GLN 21 47.474 5.753 2.460
140 H CYS 22 H CYS 22 49.047 2.733 4.085
141 HA CYS 22 HA CYS 22 46.953 1.020 2.924
142 1HB CYS 22 1HB CYS 22 49.003 2.802 1.617
143 2HB CYS 22 2HB CYS 22 48.219 1.496 0.736
144 H ASN 23 H ASN 23 50.117 1.243 4.179
145 HA ASN 23 HA ASN 23 51.283 -0.952 2.838
146 1HB ASN 23 1HB ASN 23 52.283 1.139 4.030
147 2HB ASN 23 2HB ASN 23 52.150 0.140 5.472
148 1HD2 ASN 23 1HD2 ASN 23 54.476 0.982 4.875
149 2HD2 ASN 23 2HD2 ASN 23 55.484 -0.261 4.215
150 H ASN 24 H ASN 24 48.947 -1.995 3.646
151 HA ASN 24 HA ASN 24 49.696 -3.601 5.980
152 1HB ASN 24 1HB ASN 24 47.010 -4.001 5.818
153 2HB ASN 24 2HB ASN 24 47.802 -2.910 6.926
154 1HD2 ASN 24 1HD2 ASN 24 48.361 -0.723 5.663
155 2HD2 ASN 24 2HD2 ASN 24 46.982 -0.020 4.882
156 H HIS 25 H HIS 25 48.211 -5.601 6.028
157 HA HIS 25 HA HIS 25 49.029 -7.172 3.758
158 1HB HIS 25 1HB HIS 25 49.349 -7.999 6.007
159 2HB HIS 25 2HB HIS 25 47.629 -7.829 6.349
160 HD1 HIS 25 HD1 HIS 25 47.686 -10.432 6.925
161 HD2 HIS 25 HD2 HIS 25 48.427 -9.441 2.965
162 HE1 HIS 25 HE1 HIS 25 47.417 -12.578 5.638
163 HE2 HIS 25 HE2 HIS 25 47.776 -11.933 3.228
164 H ALA 26 H ALA 26 46.129 -5.783 5.082
165 HA ALA 26 HA ALA 26 44.403 -7.337 3.348
166 1HB ALA 26 1HB ALA 26 43.808 -5.244 5.420
167 2HB ALA 26 2HB ALA 26 43.614 -6.991 5.566
168 3HB ALA 26 3HB ALA 26 42.580 -6.077 4.467
169 H CYS 27 H CYS 27 46.079 -4.327 3.140
170 HA CYS 27 HA CYS 27 44.114 -3.350 1.185
171 1HB CYS 27 1HB CYS 27 46.210 -2.028 2.834
172 2HB CYS 27 2HB CYS 27 45.834 -1.324 1.266
173 H GLY 28 H GLY 28 47.339 -4.585 1.525
174 1HA GLY 28 1HA GLY 28 48.047 -5.723 -0.615
175 2HA GLY 28 2HA GLY 28 47.743 -4.168 -1.377
176 H TRP 29 H TRP 29 48.946 -3.609 1.680
177 HA TRP 29 HA TRP 29 50.908 -3.009 2.519
178 1HB TRP 29 1HB TRP 29 51.966 -4.783 0.308
179 2HB TRP 29 2HB TRP 29 52.998 -4.020 1.513
180 HD1 TRP 29 HD1 TRP 29 51.431 -7.216 0.959
181 HE1 TRP 29 HE1 TRP 29 51.095 -8.451 3.201
182 HE3 TRP 29 HE3 TRP 29 52.075 -3.355 4.152
183 HZ2 TRP 29 HZ2 TRP 29 51.115 -7.868 5.899
184 HZ3 TRP 29 HZ3 TRP 29 51.857 -3.722 6.544
185 HH2 TRP 29 HH2 TRP 29 51.398 -5.970 7.427
186 H ASP 30 H ASP 30 49.550 -1.307 0.836
187 HA ASP 30 HA ASP 30 49.720 0.536 -0.490
188 1HB ASP 30 1HB ASP 30 50.820 1.232 1.616
189 2HB ASP 30 2HB ASP 30 52.365 0.743 0.956
190 H GLY 31 H GLY 31 50.749 -1.953 -1.657
191 1HA GLY 31 1HA GLY 31 51.717 -2.605 -3.626
192 2HA GLY 31 2HA GLY 31 51.788 -0.905 -4.052
193 H GLY 32 H GLY 32 53.444 -1.347 -1.169
194 1HA GLY 32 1HA GLY 32 55.688 -1.861 -0.706
195 2HA GLY 32 2HA GLY 32 55.955 -2.133 -2.426
196 H ASP 33 H ASP 33 54.349 0.659 -1.125
197 HA ASP 33 HA ASP 33 56.286 2.404 -2.385
198 1HB ASP 33 1HB ASP 33 53.583 2.734 -1.152
199 2HB ASP 33 2HB ASP 33 54.598 4.142 -1.405
200 H CYS 34 H CYS 34 54.944 1.846 0.852
201 HA CYS 34 HA CYS 34 56.766 3.714 2.067
202 1HB CYS 34 1HB CYS 34 54.559 1.979 2.967
203 2HB CYS 34 2HB CYS 34 55.859 2.151 4.137
204 H SER 35 H SER 35 56.266 0.205 2.427
205 HA SER 35 HA SER 35 58.967 -0.501 2.060
206 1HB SER 35 1HB SER 35 59.792 -0.841 4.234
207 2HB SER 35 2HB SER 35 58.995 0.729 4.337
208 HG SER 35 HG SER 35 57.444 -0.114 5.545