Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2138 | 1bfy RC | 4182 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1HN MET 1 -5.539 -0.831 9.412
2 2H MET 1 2HN MET 1 -6.438 0.580 9.287
3 3H MET 1 3HN MET 1 -5.240 0.262 8.258
4 HA MET 1 HA MET 1 -4.988 0.838 11.148
5 1HB MET 1 2HB MET 1 -3.067 2.398 10.197
6 2HB MET 1 3HB MET 1 -3.862 2.120 8.652
7 1HG MET 1 2HG MET 1 -5.966 2.903 9.748
8 2HG MET 1 3HG MET 1 -5.053 3.324 11.188
9 1HE MET 1 1HE MET 1 -3.394 5.303 11.414
10 2HE MET 1 2HE MET 1 -2.365 4.722 10.092
11 3HE MET 1 3HE MET 1 -2.943 6.392 10.099
12 H LYS 2 HN LYS 2 -2.330 0.992 11.390
13 HA LYS 2 HA LYS 2 -0.331 0.010 11.497
14 1HB LYS 2 2HB LYS 2 -1.652 -2.646 10.940
15 2HB LYS 2 3HB LYS 2 -0.133 -2.319 11.795
16 1HG LYS 2 2HG LYS 2 -1.545 -1.060 13.537
17 2HG LYS 2 3HG LYS 2 -2.972 -1.771 12.711
18 1HD LYS 2 2HD LYS 2 -1.462 -3.965 12.835
19 2HD LYS 2 3HD LYS 2 -0.729 -3.134 14.207
20 1HE LYS 2 2HE LYS 2 -3.717 -3.730 13.782
21 2HE LYS 2 3HE LYS 2 -2.633 -4.772 14.703
22 1HZ LYS 2 3HNZ LYS 2 -2.242 -2.961 16.225
23 2HZ LYS 2 1HNZ LYS 2 -3.256 -1.973 15.380
24 3HZ LYS 2 2HNZ LYS 2 -3.851 -3.308 16.144
25 H LYS 3 HN LYS 3 1.279 -1.457 10.301
26 HA LYS 3 HA LYS 3 1.279 -0.556 7.530
27 1HB LYS 3 2HB LYS 3 3.245 -2.169 9.173
28 2HB LYS 3 3HB LYS 3 3.536 -1.507 7.561
29 1HG LYS 3 2HG LYS 3 3.124 0.789 8.419
30 2HG LYS 3 3HG LYS 3 2.783 0.159 10.013
31 1HD LYS 3 2HD LYS 3 4.974 0.752 10.326
32 2HD LYS 3 3HD LYS 3 4.981 -0.993 10.032
33 1HE LYS 3 2HE LYS 3 5.567 -0.260 7.546
34 2HE LYS 3 3HE LYS 3 6.075 1.233 8.353
35 1HZ LYS 3 3HNZ LYS 3 7.274 -0.383 9.931
36 2HZ LYS 3 1HNZ LYS 3 7.090 -1.487 8.790
37 3HZ LYS 3 2HNZ LYS 3 7.961 -0.126 8.433
38 H TYR 4 HN TYR 4 2.026 -2.163 5.873
39 HA TYR 4 HA TYR 4 0.757 -4.825 6.187
40 1HB TYR 4 2HB TYR 4 -0.076 -2.656 4.259
41 2HB TYR 4 3HB TYR 4 -0.299 -4.338 3.826
42 HD1 TYR 4 HD1 TYR 4 -1.479 -1.673 6.116
43 HD2 TYR 4 HD2 TYR 4 -1.965 -5.703 4.765
44 HE1 TYR 4 HE1 TYR 4 -3.507 -1.892 7.511
45 HE2 TYR 4 HE2 TYR 4 -3.827 -6.037 6.417
46 HH TYR 4 HOH TYR 4 -4.537 -4.505 8.849
47 H THR 5 HN THR 5 1.596 -6.416 4.768
48 HA THR 5 HA THR 5 4.064 -5.848 3.356
49 HB THR 5 HB THR 5 3.845 -8.136 2.539
50 HG1 THR 5 HG1 THR 5 1.707 -8.330 2.072
51 1HG2 THR 5 2HG2 THR 5 4.562 -7.733 4.917
52 2HG2 THR 5 3HG2 THR 5 2.890 -8.033 5.436
53 3HG2 THR 5 1HG2 THR 5 3.811 -9.316 4.643
54 H CYS 6 HN CYN 6 4.339 -6.198 1.018
55 HA CYS 6 HA CYN 6 2.308 -5.095 -0.786
56 1HB CYS 6 2HB CYN 6 4.553 -4.729 -1.409
57 2HB CYS 6 3HB CYN 6 5.031 -6.391 -1.055
58 H THR 7 HN THR 7 3.849 -8.063 -1.559
59 HA THR 7 HA THR 7 1.949 -9.982 -0.671
60 HB THR 7 HB THR 7 0.522 -8.761 -2.363
61 HG1 THR 7 HG1 THR 7 0.034 -10.803 -1.888
62 1HG2 THR 7 3HG2 THR 7 2.305 -8.236 -4.049
63 2HG2 THR 7 1HG2 THR 7 2.363 -9.968 -4.465
64 3HG2 THR 7 2HG2 THR 7 0.879 -9.039 -4.712
65 H VAL 8 HN VAL 8 4.344 -8.980 -3.161
66 HA VAL 8 HA VAL 8 5.989 -11.268 -2.330
67 HB VAL 8 HB VAL 8 4.527 -12.099 -4.166
68 1HG1 VAL 8 1HG1 VAL 8 4.510 -9.991 -5.555
69 2HG1 VAL 8 2HG1 VAL 8 6.195 -10.330 -6.005
70 3HG1 VAL 8 3HG1 VAL 8 4.911 -11.464 -6.455
71 1HG2 VAL 8 1HG2 VAL 8 6.691 -13.148 -3.613
72 2HG2 VAL 8 2HG2 VAL 8 6.296 -13.284 -5.334
73 3HG2 VAL 8 3HG2 VAL 8 7.505 -12.103 -4.796
74 H CYS 9 HN CYN 9 5.921 -8.144 -4.209
75 HA CYS 9 HA CYN 9 8.644 -8.424 -4.938
76 1HB CYS 9 2HB CYN 9 8.560 -6.242 -5.739
77 2HB CYS 9 3HB CYN 9 6.961 -6.940 -6.019
78 H GLY 10 HN GLY 10 7.146 -6.777 -2.221
79 1HA GLY 10 2HA GLY 10 8.130 -7.070 0.005
80 2HA GLY 10 3HA GLY 10 9.741 -6.909 -0.701
81 H TYR 11 HN TYR 11 6.737 -4.962 -1.167
82 HA TYR 11 HA TYR 11 8.178 -2.562 -0.133
83 1HB TYR 11 2HB TYR 11 7.113 -2.974 -2.639
84 2HB TYR 11 3HB TYR 11 5.793 -2.142 -1.857
85 HD1 TYR 11 HD1 TYR 11 6.563 0.027 -0.431
86 HD2 TYR 11 HD2 TYR 11 8.845 -1.791 -3.610
87 HE1 TYR 11 HE1 TYR 11 7.840 2.126 -0.717
88 HE2 TYR 11 HE2 TYR 11 10.156 0.287 -3.854
89 HH TYR 11 HOH TYR 11 9.428 3.238 -1.969
90 H ILE 12 HN ILE 12 7.636 -2.891 2.062
91 HA ILE 12 HA ILE 12 4.941 -3.402 2.879
92 HB ILE 12 HB ILE 12 7.449 -2.537 4.289
93 1HG1 ILE 12 2HG1 ILE 12 5.409 -4.736 4.840
94 2HG1 ILE 12 3HG1 ILE 12 6.737 -4.930 3.690
95 1HG2 ILE 12 2HG2 ILE 12 4.674 -2.430 5.561
96 2HG2 ILE 12 3HG2 ILE 12 6.197 -2.402 6.460
97 3HG2 ILE 12 1HG2 ILE 12 5.805 -1.074 5.386
98 1HD1 ILE 12 1HD1 ILE 12 8.379 -4.567 5.499
99 2HD1 ILE 12 2HD1 ILE 12 7.053 -4.441 6.681
100 3HD1 ILE 12 3HD1 ILE 12 7.313 -5.953 5.805
101 H TYR 13 HN TYR 13 3.254 -2.118 3.030
102 HA TYR 13 HA TYR 13 3.421 0.747 2.310
103 1HB TYR 13 2HB TYR 13 1.644 -0.639 1.356
104 2HB TYR 13 3HB TYR 13 1.150 -1.147 2.975
105 HD1 TYR 13 HD1 TYR 13 -0.091 0.365 4.467
106 HD2 TYR 13 HD2 TYR 13 0.766 1.396 0.419
107 HE1 TYR 13 HE1 TYR 13 -1.611 2.312 4.608
108 HE2 TYR 13 HE2 TYR 13 -0.237 3.670 0.774
109 HH TYR 13 HOH TYR 13 -2.299 4.354 3.646
110 H ASN 14 HN ASN 14 3.155 2.381 3.829
111 HA ASN 14 HA ASN 14 2.531 1.626 6.631
112 1HB ASN 14 2HB ASN 14 4.946 2.202 6.354
113 2HB ASN 14 3HB ASN 14 4.473 3.780 5.737
114 1HD2 ASN 14 2HND ASN 14 5.184 4.184 9.354
115 2HD2 ASN 14 1HND ASN 14 5.877 4.347 7.747
116 HA PRO 15 HA PRO 15 -0.700 4.382 5.418
117 1HB PRO 15 2HB PRO 15 -2.246 4.307 7.745
118 2HB PRO 15 3HB PRO 15 -2.316 3.074 6.486
119 1HG PRO 15 2HG PRO 15 -0.882 2.970 9.108
120 2HG PRO 15 3HG PRO 15 -1.654 1.664 8.164
121 1HD PRO 15 2HD PRO 15 1.053 2.156 8.328
122 2HD PRO 15 3HD PRO 15 0.353 1.234 7.007
123 H GLU 16 HN GLU 16 0.986 4.738 8.549
124 HA GLU 16 HA GLU 16 0.050 7.386 9.028
125 1HB GLU 16 2HB GLU 16 2.568 5.923 9.897
126 2HB GLU 16 3HB GLU 16 2.023 7.487 10.487
127 1HG GLU 16 2HG GLU 16 -0.263 6.236 10.979
128 2HG GLU 16 3HG GLU 16 0.702 4.758 10.835
129 H ASP 17 HN ASP 17 2.470 6.063 6.911
130 HA ASP 17 HA ASP 17 3.661 8.726 6.262
131 1HB ASP 17 2HB ASP 17 4.194 5.912 5.272
132 2HB ASP 17 3HB ASP 17 5.048 7.345 4.707
133 H GLY 18 HN GLY 18 1.426 6.252 5.050
134 1HA GLY 18 2HA GLY 18 0.127 6.101 3.263
135 2HA GLY 18 3HA GLY 18 0.317 7.835 2.936
136 H ASP 19 HN ASP 19 0.487 7.299 0.713
137 HA ASP 19 HA ASP 19 3.254 6.921 -0.151
138 1HB ASP 19 2HB ASP 19 1.090 4.951 -0.730
139 2HB ASP 19 3HB ASP 19 1.887 5.531 -2.174
140 HA PRO 20 HA PRO 20 0.417 10.360 -1.578
141 1HB PRO 20 2HB PRO 20 2.083 12.506 -1.049
142 2HB PRO 20 3HB PRO 20 0.911 11.807 0.111
143 1HG PRO 20 2HG PRO 20 3.879 11.265 -0.110
144 2HG PRO 20 3HG PRO 20 2.922 11.560 1.373
145 1HD PRO 20 2HD PRO 20 3.597 9.052 0.619
146 2HD PRO 20 3HD PRO 20 1.981 9.383 1.297
147 H ASP 21 HN ASP 21 3.870 9.733 -2.199
148 HA ASP 21 HA ASP 21 4.231 11.313 -4.484
149 1HB ASP 21 2HB ASP 21 5.433 8.671 -3.503
150 2HB ASP 21 3HB ASP 21 6.019 9.553 -4.907
151 H ASN 22 HN ASN 22 2.567 8.310 -3.913
152 HA ASN 22 HA ASN 22 2.316 7.638 -6.791
153 1HB ASN 22 2HB ASN 22 1.593 6.028 -4.324
154 2HB ASN 22 3HB ASN 22 1.708 5.425 -5.972
155 1HD2 ASN 22 2HND ASN 22 5.038 5.786 -3.614
156 2HD2 ASN 22 1HND ASN 22 3.506 6.377 -3.075
157 H GLY 23 HN GLY 23 0.569 8.743 -4.035
158 1HA GLY 23 2HA GLY 23 -1.268 10.224 -4.862
159 2HA GLY 23 3HA GLY 23 -1.993 8.797 -5.609
160 H VAL 24 HN VAL 24 -0.547 8.105 -2.527
161 HA VAL 24 HA VAL 24 -3.273 7.969 -1.280
162 HB VAL 24 HB VAL 24 -0.772 6.302 -1.028
163 1HG1 VAL 24 1HG1 VAL 24 -3.365 6.193 0.529
164 2HG1 VAL 24 2HG1 VAL 24 -2.208 4.852 0.442
165 3HG1 VAL 24 3HG1 VAL 24 -1.714 6.387 1.178
166 1HG2 VAL 24 1HG2 VAL 24 -2.210 5.879 -3.037
167 2HG2 VAL 24 2HG2 VAL 24 -2.186 4.505 -1.916
168 3HG2 VAL 24 3HG2 VAL 24 -3.591 5.593 -1.964
169 H ASN 25 HN ASN 25 -3.536 9.596 0.141
170 HA ASN 25 HA ASN 25 -1.359 11.172 1.124
171 1HB ASN 25 2HB ASN 25 -4.331 10.982 1.732
172 2HB ASN 25 3HB ASN 25 -3.289 11.948 2.763
173 1HD2 ASN 25 2HND ASN 25 -3.793 13.191 -1.139
174 2HD2 ASN 25 1HND ASN 25 -4.038 11.502 -0.767
175 HA PRO 26 HA PRO 26 -0.249 8.944 4.841
176 1HB PRO 26 2HB PRO 26 0.090 11.008 6.682
177 2HB PRO 26 3HB PRO 26 1.303 10.426 5.524
178 1HG PRO 26 2HG PRO 26 -0.494 12.825 5.307
179 2HG PRO 26 3HG PRO 26 1.212 12.628 4.780
180 1HD PRO 26 2HD PRO 26 -0.949 12.528 3.058
181 2HD PRO 26 3HD PRO 26 0.558 11.610 2.771
182 H GLY 27 HN GLY 27 -1.189 8.187 6.643
183 1HA GLY 27 2HA GLY 27 -2.811 7.731 8.184
184 2HA GLY 27 3HA GLY 27 -3.609 9.279 7.851
185 H THR 28 HN THR 28 -2.949 7.160 4.991
186 HA THR 28 HA THR 28 -5.871 6.748 4.864
187 HB THR 28 HB THR 28 -3.612 6.258 2.885
188 HG1 THR 28 HG1 THR 28 -3.991 8.428 3.053
189 1HG2 THR 28 1HG2 THR 28 -6.633 6.033 2.681
190 2HG2 THR 28 2HG2 THR 28 -5.541 6.022 1.278
191 3HG2 THR 28 3HG2 THR 28 -5.427 4.736 2.497
192 H ASP 29 HN ASP 29 -6.579 5.006 5.779
193 HA ASP 29 HA ASP 29 -5.060 2.734 6.589
194 1HB ASP 29 2HB ASP 29 -7.430 3.463 7.287
195 2HB ASP 29 3HB ASP 29 -7.984 2.727 5.801
196 H PHE 30 HN PHE 30 -4.571 0.926 5.510
197 HA PHE 30 HA PHE 30 -4.284 0.704 2.732
198 1HB PHE 30 2HB PHE 30 -3.411 -0.716 4.751
199 2HB PHE 30 3HB PHE 30 -4.860 -1.689 4.514
200 HD1 PHE 30 HD2 PHE 30 -5.244 -2.553 2.001
201 HD2 PHE 30 HD1 PHE 30 -1.500 -1.115 3.547
202 HE1 PHE 30 HE2 PHE 30 -4.092 -3.336 -0.024
203 HE2 PHE 30 HE1 PHE 30 -0.321 -2.125 1.590
204 HZ PHE 30 HZ PHE 30 -1.622 -3.124 -0.210
205 H LYS 31 HN LYS 31 -7.171 0.043 4.808
206 HA LYS 31 HA LYS 31 -8.427 -1.479 2.648
207 1HB LYS 31 2HB LYS 31 -10.391 -1.544 3.920
208 2HB LYS 31 3HB LYS 31 -8.995 -1.849 4.976
209 1HG LYS 31 2HG LYS 31 -9.046 0.641 5.534
210 2HG LYS 31 3HG LYS 31 -10.560 0.731 4.649
211 1HD LYS 31 2HD LYS 31 -11.510 -1.000 6.159
212 2HD LYS 31 3HD LYS 31 -9.957 -1.036 7.041
213 1HE LYS 31 2HE LYS 31 -10.190 1.433 7.506
214 2HE LYS 31 3HE LYS 31 -11.752 1.438 6.683
215 1HZ LYS 31 2HNZ LYS 31 -11.092 -0.071 9.122
216 2HZ LYS 31 3HNZ LYS 31 -11.978 1.314 9.045
217 3HZ LYS 31 1HNZ LYS 31 -12.564 -0.070 8.369
218 H ASP 32 HN ASP 32 -8.434 1.892 3.739
219 HA ASP 32 HA ASP 32 -10.498 2.824 1.980
220 1HB ASP 32 2HB ASP 32 -8.408 4.219 3.710
221 2HB ASP 32 3HB ASP 32 -9.614 5.064 2.742
222 H ILE 33 HN ILE 33 -7.036 2.151 1.490
223 HA ILE 33 HA ILE 33 -6.377 3.969 -0.444
224 HB ILE 33 HB ILE 33 -5.792 1.036 -0.268
225 1HG1 ILE 33 2HG1 ILE 33 -4.433 3.562 0.684
226 2HG1 ILE 33 3HG1 ILE 33 -5.049 2.321 1.701
227 1HG2 ILE 33 2HG2 ILE 33 -5.294 1.944 -2.507
228 2HG2 ILE 33 3HG2 ILE 33 -4.170 3.074 -1.701
229 3HG2 ILE 33 1HG2 ILE 33 -3.939 1.304 -1.578
230 1HD1 ILE 33 2HD1 ILE 33 -3.347 0.719 0.560
231 2HD1 ILE 33 3HD1 ILE 33 -2.567 2.220 -0.020
232 3HD1 ILE 33 1HD1 ILE 33 -2.753 1.912 1.712
233 HA PRO 34 HA PRO 34 -9.497 2.918 -3.525
234 1HB PRO 34 2HB PRO 34 -8.070 3.969 -5.746
235 2HB PRO 34 3HB PRO 34 -9.297 4.810 -4.781
236 1HG PRO 34 2HG PRO 34 -6.418 5.260 -4.867
237 2HG PRO 34 3HG PRO 34 -7.644 6.166 -3.940
238 1HD PRO 34 2HD PRO 34 -5.759 4.147 -2.972
239 2HD PRO 34 3HD PRO 34 -6.816 5.202 -2.034
240 H ASP 35 HN ASP 35 -9.806 1.139 -4.948
241 HA ASP 35 HA ASP 35 -7.684 -0.776 -5.167
242 1HB ASP 35 2HB ASP 35 -10.604 -0.568 -5.730
243 2HB ASP 35 3HB ASP 35 -9.701 -1.557 -6.849
244 H ASP 36 HN ASP 36 -8.323 2.036 -7.056
245 HA ASP 36 HA ASP 36 -7.069 0.981 -9.440
246 1HB ASP 36 2HB ASP 36 -7.177 3.212 -10.237
247 2HB ASP 36 3HB ASP 36 -8.731 2.832 -9.497
248 H TRP 37 HN TRP 37 -5.924 1.917 -6.318
249 HA TRP 37 HA TRP 37 -3.392 3.001 -7.265
250 1HB TRP 37 2HB TRP 37 -4.356 3.712 -5.107
251 2HB TRP 37 3HB TRP 37 -4.293 2.048 -4.553
252 HD1 TRP 37 HD TRP 37 -1.824 4.891 -5.387
253 HE1 TRP 37 HNE TRP 37 0.346 4.447 -4.099
254 HE3 TRP 37 HE TRP 37 -2.903 0.271 -3.650
255 HZ2 TRP 37 HZ1 TRP 37 1.483 2.315 -2.476
256 HZ3 TRP 37 HZ2 TRP 37 -1.254 -1.004 -2.239
257 HH2 TRP 37 HH TRP 37 0.942 0.017 -1.681
258 H VAL 38 HN VAL 38 -1.390 1.960 -7.076
259 HA VAL 38 HA VAL 38 -1.358 -1.002 -6.935
260 HB VAL 38 HB VAL 38 -0.151 0.719 -9.157
261 1HG1 VAL 38 1HG1 VAL 38 -0.064 -2.287 -8.693
262 2HG1 VAL 38 2HG1 VAL 38 0.342 -1.511 -10.234
263 3HG1 VAL 38 3HG1 VAL 38 1.311 -1.164 -8.809
264 1HG2 VAL 38 2HG2 VAL 38 -2.511 -1.213 -9.202
265 2HG2 VAL 38 3HG2 VAL 38 -2.546 0.531 -9.525
266 3HG2 VAL 38 1HG2 VAL 38 -1.728 -0.548 -10.648
267 H CYS 39 HN CYN 39 0.842 -1.781 -6.611
268 HA CYS 39 HA CYN 39 2.342 -0.665 -4.592
269 1HB CYS 39 2HB CYN 39 2.510 -2.874 -6.400
270 2HB CYS 39 3HB CYN 39 4.021 -1.992 -6.557
271 HA PRO 40 HA PRO 40 4.180 2.878 -6.453
272 1HB PRO 40 2HB PRO 40 6.557 3.187 -5.086
273 2HB PRO 40 3HB PRO 40 4.952 3.468 -4.359
274 1HG PRO 40 2HG PRO 40 6.611 0.967 -4.134
275 2HG PRO 40 3HG PRO 40 5.783 1.887 -2.836
276 1HD PRO 40 2HD PRO 40 4.654 -0.307 -3.945
277 2HD PRO 40 3HD PRO 40 3.655 1.110 -3.513
278 H LEU 41 HN LEU 41 6.375 0.062 -6.159
279 HA LEU 41 HA LEU 41 7.427 0.589 -8.905
280 1HB LEU 41 2HB LEU 41 9.070 -0.008 -6.412
281 2HB LEU 41 3HB LEU 41 9.712 0.029 -8.058
282 HG LEU 41 HG LEU 41 8.468 2.441 -6.668
283 1HD1 LEU 41 2HD1 LEU 41 11.383 1.655 -7.040
284 2HD1 LEU 41 3HD1 LEU 41 10.812 3.241 -6.478
285 3HD1 LEU 41 1HD1 LEU 41 10.499 1.799 -5.507
286 1HD2 LEU 41 3HD2 LEU 41 10.128 2.187 -9.228
287 2HD2 LEU 41 1HD2 LEU 41 8.399 2.587 -9.164
288 3HD2 LEU 41 2HD2 LEU 41 9.583 3.708 -8.492
289 H CYS 42 HN CYN 42 5.354 -1.176 -8.387
290 HA CYS 42 HA CYN 42 6.507 -3.633 -9.321
291 1HB CYS 42 2HB CYN 42 6.861 -4.461 -7.280
292 2HB CYS 42 3HB CYN 42 5.801 -3.327 -6.471
293 H GLY 43 HN GLY 43 4.744 -5.003 -10.117
294 1HA GLY 43 2HA GLY 43 2.414 -3.304 -10.992
295 2HA GLY 43 3HA GLY 43 3.378 -4.325 -12.063
296 H VAL 44 HN VAL 44 1.141 -4.339 -9.326
297 HA VAL 44 HA VAL 44 0.121 -6.973 -10.181
298 HB VAL 44 HB VAL 44 1.912 -7.479 -8.610
299 1HG1 VAL 44 3HG1 VAL 44 1.725 -5.384 -7.177
300 2HG1 VAL 44 1HG1 VAL 44 0.336 -6.153 -6.382
301 3HG1 VAL 44 2HG1 VAL 44 1.926 -6.912 -6.311
302 1HG2 VAL 44 3HG2 VAL 44 -0.050 -8.957 -8.789
303 2HG2 VAL 44 1HG2 VAL 44 0.665 -8.988 -7.169
304 3HG2 VAL 44 2HG2 VAL 44 -0.837 -8.085 -7.454
305 H GLY 45 HN GLY 45 -0.259 -4.442 -7.668
306 1HA GLY 45 2HA GLY 45 -2.270 -3.010 -7.724
307 2HA GLY 45 3HA GLY 45 -3.226 -4.429 -8.165
308 H LYS 46 HN LYS 46 -3.660 -2.787 -5.780
309 HA LYS 46 HA LYS 46 -2.507 -4.100 -3.495
310 1HB LYS 46 2HB LYS 46 -3.992 -2.914 -2.168
311 2HB LYS 46 3HB LYS 46 -3.429 -1.851 -3.444
312 1HG LYS 46 2HG LYS 46 -5.593 -2.103 -4.630
313 2HG LYS 46 3HG LYS 46 -6.193 -3.148 -3.331
314 1HD LYS 46 2HD LYS 46 -5.436 -0.265 -2.978
315 2HD LYS 46 3HD LYS 46 -7.057 -0.938 -3.137
316 1HE LYS 46 2HE LYS 46 -6.056 -2.521 -1.099
317 2HE LYS 46 3HE LYS 46 -5.263 -0.992 -0.785
318 1HZ LYS 46 2HNZ LYS 46 -7.626 -0.028 -1.029
319 2HZ LYS 46 3HNZ LYS 46 -8.163 -1.558 -0.920
320 3HZ LYS 46 1HNZ LYS 46 -7.283 -0.871 0.330
321 H ASP 47 HN ASP 47 -2.722 -6.334 -3.245
322 HA ASP 47 HA ASP 47 -5.315 -7.326 -2.585
323 1HB ASP 47 2HB ASP 47 -5.423 -7.714 -5.032
324 2HB ASP 47 3HB ASP 47 -3.851 -8.533 -4.978
325 H GLN 48 HN GLN 48 -5.020 -9.457 -1.737
326 HA GLN 48 HA GLN 48 -4.100 -10.657 0.045
327 1HB GLN 48 2HB GLN 48 -3.753 -11.699 -2.214
328 2HB GLN 48 3HB GLN 48 -2.097 -11.111 -2.199
329 1HG GLN 48 2HG GLN 48 -1.443 -12.893 -0.979
330 2HG GLN 48 3HG GLN 48 -2.589 -12.510 0.307
331 1HE2 GLN 48 2HNE GLN 48 -5.179 -14.690 -1.049
332 2HE2 GLN 48 1HNE GLN 48 -5.009 -13.097 -0.333
333 H PHE 49 HN PHE 49 -3.554 -8.312 0.871
334 HA PHE 49 HA PHE 49 -0.670 -7.933 1.453
335 1HB PHE 49 2HB PHE 49 -1.618 -5.723 2.380
336 2HB PHE 49 3HB PHE 49 -1.537 -5.936 0.652
337 HD1 PHE 49 HD2 PHE 49 -3.895 -5.732 3.532
338 HD2 PHE 49 HD1 PHE 49 -3.511 -6.120 -0.732
339 HE1 PHE 49 HE2 PHE 49 -6.278 -5.177 3.282
340 HE2 PHE 49 HE1 PHE 49 -5.948 -5.666 -0.986
341 HZ PHE 49 HZ PHE 49 -7.327 -5.164 1.021
342 H GLU 50 HN GLU 50 0.081 -8.741 3.363
343 HA GLU 50 HA GLU 50 -1.804 -9.557 5.495
344 1HB GLU 50 2HB GLU 50 1.164 -9.948 4.932
345 2HB GLU 50 3HB GLU 50 0.467 -10.279 6.503
346 1HG GLU 50 2HG GLU 50 -1.130 -11.893 5.467
347 2HG GLU 50 3HG GLU 50 -0.502 -11.491 3.859
348 H GLU 51 HN GLU 51 -1.614 -8.660 7.664
349 HA GLU 51 HA GLU 51 -0.870 -5.840 7.683
350 1HB GLU 51 2HB GLU 51 -2.969 -6.520 8.653
351 2HB GLU 51 3HB GLU 51 -2.204 -7.783 9.623
352 1HG GLU 51 2HG GLU 51 -1.134 -6.317 11.006
353 2HG GLU 51 3HG GLU 51 -1.410 -4.882 10.010
354 H VAL 52 HN VAL 52 0.872 -4.988 8.793
355 HA VAL 52 HA VAL 52 2.911 -6.871 9.771
356 HB VAL 52 HB VAL 52 2.917 -4.122 8.475
357 1HG1 VAL 52 1HG1 VAL 52 5.198 -5.487 9.954
358 2HG1 VAL 52 2HG1 VAL 52 5.383 -4.096 8.851
359 3HG1 VAL 52 3HG1 VAL 52 4.451 -3.921 10.340
360 1HG2 VAL 52 3HG2 VAL 52 2.917 -6.084 7.012
361 2HG2 VAL 52 1HG2 VAL 52 4.385 -5.095 6.906
362 3HG2 VAL 52 2HG2 VAL 52 4.420 -6.647 7.783
363 H GLU 53 HN GLU 53 2.501 -7.194 11.839
364 HA GLU 53 HA GLU 53 1.432 -5.339 13.655
365 1HB GLU 53 2HB GLU 53 1.904 -7.119 15.262
366 2HB GLU 53 3HB GLU 53 1.046 -7.684 13.827
367 1HG GLU 53 2HG GLU 53 3.308 -8.559 12.959
368 2HG GLU 53 3HG GLU 53 3.979 -8.119 14.515
369 H GLU 54 HN GLU 54 3.030 -3.698 13.036
370 HA GLU 54 HA GLU 54 5.447 -3.325 14.672
371 1HB GLU 54 2HB GLU 54 3.304 -1.333 13.919
372 2HB GLU 54 3HB GLU 54 4.847 -0.932 14.665
373 1HG GLU 54 2HG GLU 54 4.729 -2.334 11.967
374 2HG GLU 54 3HG GLU 54 4.504 -0.587 12.166
No H/Q in entry = 374
Start of MODEL 2
1 1H MET 1 1HN MET 1 -0.838 4.161 12.312
2 2H MET 1 2HN MET 1 -1.008 4.211 10.733
3 3H MET 1 3HN MET 1 -2.148 4.934 11.688
4 HA MET 1 HA MET 1 -2.809 2.737 12.499
5 1HB MET 1 2HB MET 1 -3.668 3.881 10.201
6 2HB MET 1 3HB MET 1 -2.876 2.516 9.493
7 1HG MET 1 2HG MET 1 -4.724 1.868 11.649
8 2HG MET 1 3HG MET 1 -5.421 2.411 10.121
9 1HE MET 1 2HE MET 1 -6.711 -0.017 10.418
10 2HE MET 1 3HE MET 1 -5.839 -1.565 10.283
11 3HE MET 1 1HE MET 1 -5.646 -0.561 11.735
12 H LYS 2 HN LYS 2 -2.691 0.289 11.768
13 HA LYS 2 HA LYS 2 -0.010 -0.594 11.945
14 1HB LYS 2 2HB LYS 2 -2.495 -2.032 10.900
15 2HB LYS 2 3HB LYS 2 -0.918 -2.753 11.230
16 1HG LYS 2 2HG LYS 2 -1.528 -1.378 13.624
17 2HG LYS 2 3HG LYS 2 -3.086 -2.056 13.073
18 1HD LYS 2 2HD LYS 2 -1.662 -4.239 12.609
19 2HD LYS 2 3HD LYS 2 -0.406 -3.446 13.535
20 1HE LYS 2 2HE LYS 2 -3.254 -3.971 14.480
21 2HE LYS 2 3HE LYS 2 -1.935 -5.127 14.686
22 1HZ LYS 2 3HNZ LYS 2 -0.675 -3.307 15.821
23 2HZ LYS 2 1HNZ LYS 2 -2.039 -2.414 15.841
24 3HZ LYS 2 2HNZ LYS 2 -1.996 -3.841 16.673
25 H LYS 3 HN LYS 3 1.320 -1.492 10.479
26 HA LYS 3 HA LYS 3 1.282 -0.516 7.739
27 1HB LYS 3 2HB LYS 3 3.190 -2.201 9.366
28 2HB LYS 3 3HB LYS 3 3.544 -1.508 7.766
29 1HG LYS 3 2HG LYS 3 3.207 0.751 8.560
30 2HG LYS 3 3HG LYS 3 2.680 0.232 10.141
31 1HD LYS 3 2HD LYS 3 4.772 0.844 10.659
32 2HD LYS 3 3HD LYS 3 4.820 -0.916 10.528
33 1HE LYS 3 2HE LYS 3 5.886 -0.721 8.294
34 2HE LYS 3 3HE LYS 3 5.811 1.048 8.400
35 1HZ LYS 3 2HNZ LYS 3 7.196 -0.657 10.364
36 2HZ LYS 3 3HNZ LYS 3 7.964 0.066 9.078
37 3HZ LYS 3 1HNZ LYS 3 7.261 0.966 10.272
38 H TYR 4 HN TYR 4 2.054 -2.246 6.076
39 HA TYR 4 HA TYR 4 0.594 -4.788 6.415
40 1HB TYR 4 2HB TYR 4 -0.137 -2.683 4.358
41 2HB TYR 4 3HB TYR 4 -0.443 -4.371 4.089
42 HD1 TYR 4 HD1 TYR 4 -1.259 -1.653 6.626
43 HD2 TYR 4 HD2 TYR 4 -2.405 -5.307 4.684
44 HE1 TYR 4 HE1 TYR 4 -3.386 -1.594 7.819
45 HE2 TYR 4 HE2 TYR 4 -4.481 -5.380 6.094
46 HH TYR 4 HOH TYR 4 -5.435 -2.618 8.136
47 H THR 5 HN THR 5 1.321 -6.441 4.965
48 HA THR 5 HA THR 5 3.911 -5.929 3.682
49 HB THR 5 HB THR 5 2.168 -8.423 3.727
50 HG1 THR 5 HG1 THR 5 2.842 -7.750 5.798
51 1HG2 THR 5 1HG2 THR 5 5.117 -8.004 3.048
52 2HG2 THR 5 2HG2 THR 5 4.330 -9.578 3.287
53 3HG2 THR 5 3HG2 THR 5 3.837 -8.551 1.934
54 H CYS 6 HN CYN 6 4.242 -5.766 1.517
55 HA CYS 6 HA CYN 6 2.037 -5.417 -0.402
56 1HB CYS 6 2HB CYN 6 3.973 -3.984 -0.517
57 2HB CYS 6 3HB CYN 6 5.078 -5.361 -0.546
58 H THR 7 HN THR 7 4.638 -7.177 -1.725
59 HA THR 7 HA THR 7 4.049 -9.789 -0.721
60 HB THR 7 HB THR 7 2.093 -9.560 -2.216
61 HG1 THR 7 HG1 THR 7 2.748 -11.585 -2.168
62 1HG2 THR 7 1HG2 THR 7 3.027 -7.933 -3.852
63 2HG2 THR 7 2HG2 THR 7 4.062 -9.223 -4.510
64 3HG2 THR 7 3HG2 THR 7 2.301 -9.353 -4.616
65 H VAL 8 HN VAL 8 5.136 -11.044 -3.105
66 HA VAL 8 HA VAL 8 7.959 -10.499 -2.541
67 HB VAL 8 HB VAL 8 8.370 -12.401 -4.098
68 1HG1 VAL 8 2HG1 VAL 8 8.136 -12.710 -1.671
69 2HG1 VAL 8 3HG1 VAL 8 6.381 -12.916 -1.848
70 3HG1 VAL 8 1HG1 VAL 8 7.495 -14.100 -2.563
71 1HG2 VAL 8 1HG2 VAL 8 6.281 -12.167 -5.516
72 2HG2 VAL 8 2HG2 VAL 8 6.558 -13.793 -4.879
73 3HG2 VAL 8 3HG2 VAL 8 5.333 -12.756 -4.138
74 H CYS 9 HN CYN 9 7.272 -8.184 -3.397
75 HA CYS 9 HA CYN 9 8.837 -7.842 -5.831
76 1HB CYS 9 2HB CYN 9 7.136 -6.429 -6.918
77 2HB CYS 9 3HB CYN 9 6.716 -8.141 -6.862
78 H GLY 10 HN GLY 10 6.635 -6.126 -3.585
79 1HA GLY 10 2HA GLY 10 8.388 -3.761 -3.639
80 2HA GLY 10 3HA GLY 10 6.734 -3.901 -3.038
81 H TYR 11 HN TYR 11 7.133 -2.801 -1.186
82 HA TYR 11 HA TYR 11 8.606 -4.199 0.966
83 1HB TYR 11 2HB TYR 11 10.105 -2.421 0.273
84 2HB TYR 11 3HB TYR 11 8.777 -1.269 0.166
85 HD1 TYR 11 HD2 TYR 11 10.452 -3.512 2.697
86 HD2 TYR 11 HD1 TYR 11 8.346 0.180 1.972
87 HE1 TYR 11 HE2 TYR 11 10.451 -3.031 5.122
88 HE2 TYR 11 HE1 TYR 11 8.391 0.681 4.387
89 HH TYR 11 HOH TYR 11 9.733 -1.626 6.771
90 H ILE 12 HN ILE 12 7.754 -3.539 3.061
91 HA ILE 12 HA ILE 12 5.012 -3.715 3.320
92 HB ILE 12 HB ILE 12 7.286 -2.844 5.087
93 1HG1 ILE 12 2HG1 ILE 12 5.196 -5.031 5.383
94 2HG1 ILE 12 3HG1 ILE 12 6.666 -5.238 4.431
95 1HG2 ILE 12 2HG2 ILE 12 4.381 -2.657 5.939
96 2HG2 ILE 12 3HG2 ILE 12 5.760 -2.664 7.047
97 3HG2 ILE 12 1HG2 ILE 12 5.569 -1.332 5.922
98 1HD1 ILE 12 3HD1 ILE 12 8.066 -4.833 6.410
99 2HD1 ILE 12 1HD1 ILE 12 6.611 -4.670 7.422
100 3HD1 ILE 12 2HD1 ILE 12 6.965 -6.208 6.628
101 H TYR 13 HN TYR 13 3.347 -2.399 3.150
102 HA TYR 13 HA TYR 13 3.617 0.417 2.378
103 1HB TYR 13 2HB TYR 13 1.826 -0.926 1.447
104 2HB TYR 13 3HB TYR 13 1.282 -1.397 3.062
105 HD1 TYR 13 HD2 TYR 13 0.118 0.233 4.547
106 HD2 TYR 13 HD1 TYR 13 0.944 1.058 0.427
107 HE1 TYR 13 HE2 TYR 13 -1.366 2.204 4.621
108 HE2 TYR 13 HE1 TYR 13 -0.105 3.313 0.665
109 HH TYR 13 HOH TYR 13 -2.066 4.178 3.549
110 H ASN 14 HN ASN 14 3.421 2.126 3.784
111 HA ASN 14 HA ASN 14 2.785 1.564 6.635
112 1HB ASN 14 2HB ASN 14 5.181 2.098 6.279
113 2HB ASN 14 3HB ASN 14 4.721 3.640 5.560
114 1HD2 ASN 14 2HND ASN 14 5.481 4.343 9.110
115 2HD2 ASN 14 1HND ASN 14 6.161 4.310 7.490
116 HA PRO 15 HA PRO 15 -0.457 4.302 5.229
117 1HB PRO 15 2HB PRO 15 -1.919 4.433 7.644
118 2HB PRO 15 3HB PRO 15 -2.138 3.117 6.499
119 1HG PRO 15 2HG PRO 15 -0.613 3.095 8.999
120 2HG PRO 15 3HG PRO 15 -1.412 1.761 8.092
121 1HD PRO 15 2HD PRO 15 1.299 2.241 8.259
122 2HD PRO 15 3HD PRO 15 0.546 1.235 7.027
123 H GLU 16 HN GLU 16 1.318 4.759 8.245
124 HA GLU 16 HA GLU 16 0.436 7.443 8.655
125 1HB GLU 16 2HB GLU 16 2.919 5.971 9.604
126 2HB GLU 16 3HB GLU 16 2.290 7.500 10.204
127 1HG GLU 16 2HG GLU 16 0.023 6.198 10.517
128 2HG GLU 16 3HG GLU 16 0.998 4.718 10.288
129 H ASP 17 HN ASP 17 2.792 6.004 6.604
130 HA ASP 17 HA ASP 17 4.022 8.609 5.791
131 1HB ASP 17 2HB ASP 17 4.476 5.749 4.882
132 2HB ASP 17 3HB ASP 17 5.308 7.152 4.234
133 H GLY 18 HN GLY 18 1.711 6.109 4.771
134 1HA GLY 18 2HA GLY 18 0.310 5.932 3.057
135 2HA GLY 18 3HA GLY 18 0.522 7.647 2.657
136 H ASP 19 HN ASP 19 0.599 7.047 0.451
137 HA ASP 19 HA ASP 19 3.313 6.515 -0.509
138 1HB ASP 19 2HB ASP 19 1.020 4.641 -0.941
139 2HB ASP 19 3HB ASP 19 1.868 5.094 -2.408
140 HA PRO 20 HA PRO 20 0.577 10.007 -1.955
141 1HB PRO 20 2HB PRO 20 2.345 12.100 -1.587
142 2HB PRO 20 3HB PRO 20 1.227 11.477 -0.336
143 1HG PRO 20 2HG PRO 20 4.153 10.793 -0.729
144 2HG PRO 20 3HG PRO 20 3.317 11.209 0.799
145 1HD PRO 20 2HD PRO 20 3.805 8.640 0.137
146 2HD PRO 20 3HD PRO 20 2.243 9.093 0.877
147 H ASP 21 HN ASP 21 3.946 9.092 -2.770
148 HA ASP 21 HA ASP 21 4.219 10.686 -5.098
149 1HB ASP 21 2HB ASP 21 5.456 8.053 -4.144
150 2HB ASP 21 3HB ASP 21 6.000 8.959 -5.552
151 H ASN 22 HN ASN 22 2.625 7.682 -4.321
152 HA ASN 22 HA ASN 22 2.118 6.947 -7.141
153 1HB ASN 22 2HB ASN 22 1.378 5.529 -4.553
154 2HB ASN 22 3HB ASN 22 1.284 4.864 -6.178
155 1HD2 ASN 22 2HND ASN 22 4.793 4.737 -4.142
156 2HD2 ASN 22 1HND ASN 22 3.477 5.685 -3.505
157 H GLY 23 HN GLY 23 0.592 8.231 -4.323
158 1HA GLY 23 2HA GLY 23 -1.118 9.893 -5.096
159 2HA GLY 23 3HA GLY 23 -2.010 8.536 -5.795
160 H VAL 24 HN VAL 24 -0.541 7.620 -2.823
161 HA VAL 24 HA VAL 24 -3.197 7.737 -1.456
162 HB VAL 24 HB VAL 24 -0.763 5.972 -1.266
163 1HG1 VAL 24 3HG1 VAL 24 -3.219 6.010 0.509
164 2HG1 VAL 24 1HG1 VAL 24 -2.079 4.654 0.384
165 3HG1 VAL 24 2HG1 VAL 24 -1.518 6.211 1.015
166 1HG2 VAL 24 3HG2 VAL 24 -2.415 5.563 -3.117
167 2HG2 VAL 24 1HG2 VAL 24 -2.318 4.222 -1.956
168 3HG2 VAL 24 2HG2 VAL 24 -3.685 5.356 -1.900
169 H ASN 25 HN ASN 25 -3.380 9.363 -0.070
170 HA ASN 25 HA ASN 25 -1.152 10.966 0.769
171 1HB ASN 25 2HB ASN 25 -4.106 10.833 1.480
172 2HB ASN 25 3HB ASN 25 -3.016 11.843 2.415
173 1HD2 ASN 25 2HND ASN 25 -3.582 12.882 -1.543
174 2HD2 ASN 25 1HND ASN 25 -3.704 11.193 -1.114
175 HA PRO 26 HA PRO 26 0.026 8.826 4.523
176 1HB PRO 26 2HB PRO 26 0.452 10.945 6.285
177 2HB PRO 26 3HB PRO 26 1.622 10.313 5.107
178 1HG PRO 26 2HG PRO 26 -0.157 12.720 4.857
179 2HG PRO 26 3HG PRO 26 1.537 12.487 4.304
180 1HD PRO 26 2HD PRO 26 -0.638 12.354 2.619
181 2HD PRO 26 3HD PRO 26 0.837 11.377 2.357
182 H GLY 27 HN GLY 27 -0.846 8.165 6.397
183 1HA GLY 27 2HA GLY 27 -2.381 7.821 8.063
184 2HA GLY 27 3HA GLY 27 -3.235 9.309 7.625
185 H THR 28 HN THR 28 -2.669 6.982 4.915
186 HA THR 28 HA THR 28 -5.588 6.498 4.999
187 HB THR 28 HB THR 28 -3.461 6.050 2.858
188 HG1 THR 28 HG1 THR 28 -3.745 8.193 2.921
189 1HG2 THR 28 2HG2 THR 28 -6.492 5.913 2.821
190 2HG2 THR 28 3HG2 THR 28 -5.454 5.842 1.375
191 3HG2 THR 28 1HG2 THR 28 -5.351 4.561 2.602
192 H ASP 29 HN ASP 29 -6.211 4.759 5.953
193 HA ASP 29 HA ASP 29 -4.684 2.435 6.639
194 1HB ASP 29 2HB ASP 29 -6.903 3.179 7.565
195 2HB ASP 29 3HB ASP 29 -7.649 2.696 6.064
196 H PHE 30 HN PHE 30 -4.245 0.698 5.450
197 HA PHE 30 HA PHE 30 -4.198 0.513 2.688
198 1HB PHE 30 2HB PHE 30 -3.285 -0.988 4.642
199 2HB PHE 30 3HB PHE 30 -4.732 -1.950 4.358
200 HD1 PHE 30 HD2 PHE 30 -5.106 -2.688 1.808
201 HD2 PHE 30 HD1 PHE 30 -1.399 -1.162 3.365
202 HE1 PHE 30 HE2 PHE 30 -3.904 -3.504 -0.199
203 HE2 PHE 30 HE1 PHE 30 -0.185 -2.152 1.421
204 HZ PHE 30 HZ PHE 30 -1.455 -3.305 -0.316
205 H LYS 31 HN LYS 31 -7.019 -0.099 4.873
206 HA LYS 31 HA LYS 31 -8.435 -1.566 2.786
207 1HB LYS 31 2HB LYS 31 -10.293 -1.563 4.210
208 2HB LYS 31 3HB LYS 31 -8.843 -1.825 5.206
209 1HG LYS 31 2HG LYS 31 -8.844 0.725 5.571
210 2HG LYS 31 3HG LYS 31 -10.416 0.745 4.816
211 1HD LYS 31 2HD LYS 31 -11.198 -0.911 6.518
212 2HD LYS 31 3HD LYS 31 -9.584 -0.796 7.283
213 1HE LYS 31 2HE LYS 31 -9.908 1.706 7.505
214 2HE LYS 31 3HE LYS 31 -11.532 1.550 6.835
215 1HZ LYS 31 2HNZ LYS 31 -10.545 0.326 9.318
216 2HZ LYS 31 3HNZ LYS 31 -11.521 1.651 9.217
217 3HZ LYS 31 1HNZ LYS 31 -12.090 0.179 8.733
218 H ASP 32 HN ASP 32 -8.068 1.801 3.767
219 HA ASP 32 HA ASP 32 -10.344 2.790 2.242
220 1HB ASP 32 2HB ASP 32 -8.108 4.229 3.736
221 2HB ASP 32 3HB ASP 32 -9.541 4.987 3.041
222 H ILE 33 HN ILE 33 -6.957 2.011 1.555
223 HA ILE 33 HA ILE 33 -6.307 3.880 -0.331
224 HB ILE 33 HB ILE 33 -5.824 0.958 -0.130
225 1HG1 ILE 33 2HG1 ILE 33 -4.346 3.436 0.710
226 2HG1 ILE 33 3HG1 ILE 33 -4.939 2.198 1.738
227 1HG2 ILE 33 2HG2 ILE 33 -5.398 1.704 -2.441
228 2HG2 ILE 33 3HG2 ILE 33 -4.221 2.866 -1.765
229 3HG2 ILE 33 1HG2 ILE 33 -3.989 1.105 -1.577
230 1HD1 ILE 33 1HD1 ILE 33 -3.302 0.578 0.533
231 2HD1 ILE 33 2HD1 ILE 33 -2.526 2.066 -0.080
232 3HD1 ILE 33 3HD1 ILE 33 -2.648 1.762 1.662
233 HA PRO 34 HA PRO 34 -9.579 3.021 -3.384
234 1HB PRO 34 2HB PRO 34 -7.743 3.876 -5.516
235 2HB PRO 34 3HB PRO 34 -9.232 4.674 -4.958
236 1HG PRO 34 2HG PRO 34 -6.602 5.599 -4.553
237 2HG PRO 34 3HG PRO 34 -8.018 6.076 -3.572
238 1HD PRO 34 2HD PRO 34 -5.843 4.115 -2.870
239 2HD PRO 34 3HD PRO 34 -6.848 5.142 -1.832
240 H ASP 35 HN ASP 35 -9.986 1.061 -4.585
241 HA ASP 35 HA ASP 35 -7.782 -0.793 -4.676
242 1HB ASP 35 2HB ASP 35 -10.736 -0.865 -4.833
243 2HB ASP 35 3HB ASP 35 -9.923 -1.971 -5.911
244 H ASP 36 HN ASP 36 -8.694 1.650 -6.849
245 HA ASP 36 HA ASP 36 -7.531 0.379 -9.194
246 1HB ASP 36 2HB ASP 36 -7.662 2.704 -10.069
247 2HB ASP 36 3HB ASP 36 -9.219 2.126 -9.459
248 H TRP 37 HN TRP 37 -6.216 1.542 -6.232
249 HA TRP 37 HA TRP 37 -3.858 2.812 -7.281
250 1HB TRP 37 2HB TRP 37 -4.636 3.198 -5.005
251 2HB TRP 37 3HB TRP 37 -4.491 1.475 -4.654
252 HD1 TRP 37 HD TRP 37 -2.140 4.463 -5.280
253 HE1 TRP 37 HNE TRP 37 0.010 4.025 -3.945
254 HE3 TRP 37 HE TRP 37 -3.046 -0.332 -3.917
255 HZ2 TRP 37 HZ1 TRP 37 1.149 1.868 -2.363
256 HZ3 TRP 37 HZ2 TRP 37 -1.403 -1.598 -2.498
257 HH2 TRP 37 HH TRP 37 0.657 -0.483 -1.689
258 H VAL 38 HN VAL 38 -1.721 1.949 -7.092
259 HA VAL 38 HA VAL 38 -1.455 -0.950 -7.713
260 HB VAL 38 HB VAL 38 -1.485 0.460 -9.756
261 1HG1 VAL 38 2HG1 VAL 38 -0.540 2.564 -8.829
262 2HG1 VAL 38 3HG1 VAL 38 1.042 1.773 -8.661
263 3HG1 VAL 38 1HG1 VAL 38 0.330 2.011 -10.265
264 1HG2 VAL 38 3HG2 VAL 38 -0.197 -1.610 -9.787
265 2HG2 VAL 38 1HG2 VAL 38 0.568 -0.369 -10.785
266 3HG2 VAL 38 2HG2 VAL 38 1.247 -0.748 -9.192
267 H CYS 39 HN CYN 39 0.576 -1.841 -7.088
268 HA CYS 39 HA CYN 39 1.799 -1.439 -4.782
269 1HB CYS 39 2HB CYN 39 2.789 -2.263 -7.483
270 2HB CYS 39 3HB CYN 39 3.958 -2.050 -6.195
271 HA PRO 40 HA PRO 40 3.869 2.427 -4.752
272 1HB PRO 40 2HB PRO 40 5.631 2.192 -2.707
273 2HB PRO 40 3HB PRO 40 3.864 2.045 -2.489
274 1HG PRO 40 2HG PRO 40 5.812 -0.234 -2.798
275 2HG PRO 40 3HG PRO 40 4.600 0.020 -1.505
276 1HD PRO 40 2HD PRO 40 4.034 -1.521 -3.699
277 2HD PRO 40 3HD PRO 40 2.802 -0.462 -2.954
278 H LEU 41 HN LEU 41 6.061 -0.409 -4.991
279 HA LEU 41 HA LEU 41 7.844 1.148 -6.808
280 1HB LEU 41 2HB LEU 41 8.735 -0.629 -4.501
281 2HB LEU 41 3HB LEU 41 9.808 0.022 -5.742
282 HG LEU 41 HG LEU 41 8.239 1.727 -3.763
283 1HD1 LEU 41 3HD1 LEU 41 10.020 0.401 -2.653
284 2HD1 LEU 41 1HD1 LEU 41 11.202 0.998 -3.836
285 3HD1 LEU 41 2HD1 LEU 41 10.428 2.119 -2.701
286 1HD2 LEU 41 2HD2 LEU 41 10.440 2.460 -5.761
287 2HD2 LEU 41 3HD2 LEU 41 8.748 2.987 -5.850
288 3HD2 LEU 41 1HD2 LEU 41 9.770 3.541 -4.527
289 H CYS 42 HN CYN 42 5.624 -0.649 -7.340
290 HA CYS 42 HA CYN 42 6.945 -2.570 -9.037
291 1HB CYS 42 2HB CYN 42 4.994 -4.164 -7.712
292 2HB CYS 42 3HB CYN 42 6.739 -4.372 -7.805
293 H GLY 43 HN GLY 43 4.717 -3.954 -9.907
294 1HA GLY 43 2HA GLY 43 2.751 -1.818 -10.684
295 2HA GLY 43 3HA GLY 43 3.607 -2.783 -11.886
296 H VAL 44 HN VAL 44 1.886 -3.445 -8.766
297 HA VAL 44 HA VAL 44 0.103 -5.385 -10.122
298 HB VAL 44 HB VAL 44 1.881 -5.860 -7.691
299 1HG1 VAL 44 3HG1 VAL 44 -0.487 -7.540 -8.613
300 2HG1 VAL 44 1HG1 VAL 44 0.768 -8.075 -7.476
301 3HG1 VAL 44 2HG1 VAL 44 -0.280 -6.736 -7.036
302 1HG2 VAL 44 1HG2 VAL 44 1.513 -7.375 -10.310
303 2HG2 VAL 44 2HG2 VAL 44 2.917 -6.381 -9.869
304 3HG2 VAL 44 3HG2 VAL 44 2.577 -7.862 -8.974
305 H GLY 45 HN GLY 45 -1.850 -5.794 -8.765
306 1HA GLY 45 2HA GLY 45 -2.914 -3.261 -7.775
307 2HA GLY 45 3HA GLY 45 -3.750 -4.815 -7.939
308 H LYS 46 HN LYS 46 -4.526 -3.828 -5.748
309 HA LYS 46 HA LYS 46 -2.774 -4.175 -3.438
310 1HB LYS 46 2HB LYS 46 -5.794 -3.971 -3.727
311 2HB LYS 46 3HB LYS 46 -4.916 -4.036 -2.186
312 1HG LYS 46 2HG LYS 46 -3.834 -1.933 -2.647
313 2HG LYS 46 3HG LYS 46 -4.533 -1.912 -4.299
314 1HD LYS 46 2HD LYS 46 -5.965 -0.496 -3.072
315 2HD LYS 46 3HD LYS 46 -6.800 -2.046 -3.224
316 1HE LYS 46 2HE LYS 46 -5.988 -2.635 -0.882
317 2HE LYS 46 3HE LYS 46 -5.368 -1.013 -0.769
318 1HZ LYS 46 1HNZ LYS 46 -8.220 -1.639 -1.352
319 2HZ LYS 46 2HNZ LYS 46 -7.612 -1.167 0.157
320 3HZ LYS 46 3HNZ LYS 46 -7.632 -0.160 -1.126
321 H ASP 47 HN ASP 47 -5.573 -5.918 -4.732
322 HA ASP 47 HA ASP 47 -6.534 -7.853 -4.433
323 1HB ASP 47 2HB ASP 47 -3.774 -9.013 -4.800
324 2HB ASP 47 3HB ASP 47 -5.326 -9.662 -5.320
325 H GLN 48 HN GLN 48 -3.509 -8.377 -2.536
326 HA GLN 48 HA GLN 48 -5.102 -9.272 -0.225
327 1HB GLN 48 2HB GLN 48 -2.869 -10.980 -1.419
328 2HB GLN 48 3HB GLN 48 -3.729 -11.273 0.102
329 1HG GLN 48 2HG GLN 48 -5.881 -11.441 -1.253
330 2HG GLN 48 3HG GLN 48 -4.891 -11.358 -2.719
331 1HE2 GLN 48 2HNE GLN 48 -4.818 -14.771 -0.408
332 2HE2 GLN 48 1HNE GLN 48 -5.417 -13.270 0.281
333 H PHE 49 HN PHE 49 -4.083 -8.701 1.690
334 HA PHE 49 HA PHE 49 -1.357 -7.581 1.672
335 1HB PHE 49 2HB PHE 49 -2.364 -5.346 2.438
336 2HB PHE 49 3HB PHE 49 -2.415 -5.761 0.744
337 HD1 PHE 49 HD1 PHE 49 -4.486 -6.189 -0.476
338 HD2 PHE 49 HD2 PHE 49 -4.559 -5.368 3.750
339 HE1 PHE 49 HE1 PHE 49 -6.906 -5.678 -0.608
340 HE2 PHE 49 HE2 PHE 49 -6.950 -4.781 3.607
341 HZ PHE 49 HZ PHE 49 -8.137 -4.926 1.422
342 H GLU 50 HN GLU 50 -0.545 -8.476 3.476
343 HA GLU 50 HA GLU 50 -2.316 -9.291 5.695
344 1HB GLU 50 2HB GLU 50 0.668 -9.592 5.187
345 2HB GLU 50 3HB GLU 50 -0.169 -10.218 6.585
346 1HG GLU 50 2HG GLU 50 -1.608 -11.632 5.116
347 2HG GLU 50 3HG GLU 50 -0.787 -10.990 3.681
348 H GLU 51 HN GLU 51 -2.354 -8.197 7.677
349 HA GLU 51 HA GLU 51 -1.263 -5.522 7.795
350 1HB GLU 51 2HB GLU 51 -3.492 -5.995 8.666
351 2HB GLU 51 3HB GLU 51 -2.858 -7.294 9.708
352 1HG GLU 51 2HG GLU 51 -1.618 -5.825 10.979
353 2HG GLU 51 3HG GLU 51 -1.960 -4.412 9.953
354 H VAL 52 HN VAL 52 0.562 -4.884 8.957
355 HA VAL 52 HA VAL 52 2.358 -6.943 10.072
356 HB VAL 52 HB VAL 52 2.669 -4.175 8.807
357 1HG1 VAL 52 2HG1 VAL 52 4.719 -5.799 10.372
358 2HG1 VAL 52 3HG1 VAL 52 5.071 -4.363 9.370
359 3HG1 VAL 52 1HG1 VAL 52 4.048 -4.210 10.803
360 1HG2 VAL 52 3HG2 VAL 52 2.573 -6.143 7.314
361 2HG2 VAL 52 1HG2 VAL 52 4.131 -5.302 7.317
362 3HG2 VAL 52 2HG2 VAL 52 3.956 -6.850 8.180
363 H GLU 53 HN GLU 53 1.872 -7.209 12.149
364 HA GLU 53 HA GLU 53 0.511 -5.372 13.737
365 1HB GLU 53 2HB GLU 53 0.825 -7.005 15.463
366 2HB GLU 53 3HB GLU 53 0.182 -7.679 13.967
367 1HG GLU 53 2HG GLU 53 2.504 -8.558 13.443
368 2HG GLU 53 3HG GLU 53 3.038 -7.967 15.014
369 H GLU 54 HN GLU 54 2.229 -3.720 13.157
370 HA GLU 54 HA GLU 54 3.884 -3.234 15.598
371 1HB GLU 54 2HB GLU 54 3.333 -1.234 13.384
372 2HB GLU 54 3HB GLU 54 4.435 -1.105 14.754
373 1HG GLU 54 2HG GLU 54 5.548 -3.293 13.688
374 2HG GLU 54 3HG GLU 54 4.705 -2.761 12.245
No H/Q in entry = 374
Start of MODEL 3
1 1H MET 1 2HN MET 1 -0.804 4.283 12.218
2 2H MET 1 3HN MET 1 -2.309 4.737 12.671
3 3H MET 1 1HN MET 1 -1.455 3.580 13.478
4 HA MET 1 HA MET 1 -3.134 2.451 12.253
5 1HB MET 1 2HB MET 1 -1.977 4.041 9.943
6 2HB MET 1 3HB MET 1 -2.920 2.550 9.680
7 1HG MET 1 2HG MET 1 -4.788 3.667 10.982
8 2HG MET 1 3HG MET 1 -3.828 5.164 10.893
9 1HE MET 1 3HE MET 1 -6.828 4.805 9.831
10 2HE MET 1 1HE MET 1 -5.959 6.357 9.667
11 3HE MET 1 2HE MET 1 -6.753 5.621 8.255
12 H LYS 2 HN LYS 2 -2.654 0.408 10.986
13 HA LYS 2 HA LYS 2 0.032 -0.518 11.795
14 1HB LYS 2 2HB LYS 2 -2.416 -1.972 10.714
15 2HB LYS 2 3HB LYS 2 -0.852 -2.699 11.078
16 1HG LYS 2 2HG LYS 2 -1.548 -1.219 13.423
17 2HG LYS 2 3HG LYS 2 -3.032 -2.042 12.870
18 1HD LYS 2 2HD LYS 2 -1.523 -4.137 12.573
19 2HD LYS 2 3HD LYS 2 -0.288 -3.278 13.462
20 1HE LYS 2 2HE LYS 2 -3.127 -3.667 14.507
21 2HE LYS 2 3HE LYS 2 -1.923 -4.944 14.624
22 1HZ LYS 2 2HNZ LYS 2 -0.438 -3.291 15.744
23 2HZ LYS 2 3HNZ LYS 2 -1.682 -2.253 15.815
24 3HZ LYS 2 1HNZ LYS 2 -1.788 -3.687 16.625
25 H LYS 3 HN LYS 3 1.523 -1.368 10.412
26 HA LYS 3 HA LYS 3 1.520 -0.503 7.632
27 1HB LYS 3 2HB LYS 3 3.402 -2.172 9.312
28 2HB LYS 3 3HB LYS 3 3.740 -1.592 7.669
29 1HG LYS 3 2HG LYS 3 3.353 0.744 8.410
30 2HG LYS 3 3HG LYS 3 3.103 0.211 10.053
31 1HD LYS 3 2HD LYS 3 5.440 -0.868 9.936
32 2HD LYS 3 3HD LYS 3 5.673 0.052 8.432
33 1HE LYS 3 2HE LYS 3 5.220 2.174 9.705
34 2HE LYS 3 3HE LYS 3 4.928 1.227 11.169
35 1HZ LYS 3 2HNZ LYS 3 7.514 1.251 9.772
36 2HZ LYS 3 3HNZ LYS 3 7.127 2.145 11.114
37 3HZ LYS 3 1HNZ LYS 3 7.096 0.514 11.206
38 H TYR 4 HN TYR 4 2.234 -2.182 6.028
39 HA TYR 4 HA TYR 4 0.847 -4.776 6.349
40 1HB TYR 4 2HB TYR 4 0.020 -2.695 4.309
41 2HB TYR 4 3HB TYR 4 -0.189 -4.389 4.008
42 HD1 TYR 4 HD2 TYR 4 -1.163 -1.774 6.585
43 HD2 TYR 4 HD1 TYR 4 -2.097 -5.433 4.566
44 HE1 TYR 4 HE2 TYR 4 -3.165 -2.012 7.994
45 HE2 TYR 4 HE1 TYR 4 -4.054 -5.772 6.105
46 HH TYR 4 HOH TYR 4 -4.604 -4.012 8.892
47 H THR 5 HN THR 5 1.530 -6.407 4.902
48 HA THR 5 HA THR 5 4.158 -5.972 3.700
49 HB THR 5 HB THR 5 2.410 -8.454 3.669
50 HG1 THR 5 HG1 THR 5 2.805 -7.813 5.796
51 1HG2 THR 5 1HG2 THR 5 5.422 -8.061 3.371
52 2HG2 THR 5 2HG2 THR 5 4.574 -9.618 3.454
53 3HG2 THR 5 3HG2 THR 5 4.299 -8.541 2.076
54 H CYS 6 HN CYN 6 4.430 -5.298 1.682
55 HA CYS 6 HA CYN 6 2.490 -5.050 -0.397
56 1HB CYS 6 2HB CYN 6 4.688 -3.876 -0.032
57 2HB CYS 6 3HB CYN 6 5.480 -5.326 -0.673
58 H THR 7 HN THR 7 1.382 -6.955 -0.734
59 HA THR 7 HA THR 7 2.570 -9.523 -0.440
60 HB THR 7 HB THR 7 -0.075 -8.605 -1.632
61 HG1 THR 7 HG1 THR 7 0.627 -8.276 0.669
62 1HG2 THR 7 2HG2 THR 7 0.826 -11.412 -0.823
63 2HG2 THR 7 3HG2 THR 7 -0.840 -10.919 -1.181
64 3HG2 THR 7 1HG2 THR 7 0.373 -10.877 -2.464
65 H VAL 8 HN VAL 8 3.247 -11.005 -1.916
66 HA VAL 8 HA VAL 8 4.557 -11.667 -3.550
67 HB VAL 8 HB VAL 8 2.434 -12.057 -4.572
68 1HG1 VAL 8 2HG1 VAL 8 2.705 -9.355 -5.924
69 2HG1 VAL 8 3HG1 VAL 8 1.649 -10.653 -6.513
70 3HG1 VAL 8 1HG1 VAL 8 1.360 -9.967 -4.923
71 1HG2 VAL 8 1HG2 VAL 8 4.599 -12.655 -5.749
72 2HG2 VAL 8 2HG2 VAL 8 3.129 -12.594 -6.736
73 3HG2 VAL 8 3HG2 VAL 8 4.289 -11.268 -6.822
74 H CYS 9 HN CYN 9 5.080 -8.909 -2.407
75 HA CYS 9 HA CYN 9 7.216 -8.162 -4.324
76 1HB CYS 9 2HB CYN 9 5.093 -6.489 -3.016
77 2HB CYS 9 3HB CYN 9 6.583 -5.757 -3.646
78 H GLY 10 HN GLY 10 8.209 -6.094 -2.654
79 1HA GLY 10 2HA GLY 10 8.525 -7.129 0.088
80 2HA GLY 10 3HA GLY 10 9.970 -7.162 -0.941
81 H TYR 11 HN TYR 11 7.250 -4.920 -0.240
82 HA TYR 11 HA TYR 11 9.110 -2.701 0.368
83 1HB TYR 11 2HB TYR 11 8.552 -2.996 -2.185
84 2HB TYR 11 3HB TYR 11 6.988 -2.338 -1.781
85 HD1 TYR 11 HD2 TYR 11 6.919 0.060 -0.749
86 HD2 TYR 11 HD1 TYR 11 10.492 -1.688 -2.422
87 HE1 TYR 11 HE2 TYR 11 7.907 2.311 -1.002
88 HE2 TYR 11 HE1 TYR 11 11.485 0.560 -2.648
89 HH TYR 11 HOH TYR 11 11.159 2.824 -2.404
90 H ILE 12 HN ILE 12 7.978 -3.485 2.433
91 HA ILE 12 HA ILE 12 5.368 -3.503 3.048
92 HB ILE 12 HB ILE 12 7.787 -2.667 4.599
93 1HG1 ILE 12 2HG1 ILE 12 5.602 -4.722 5.149
94 2HG1 ILE 12 3HG1 ILE 12 6.952 -5.039 4.052
95 1HG2 ILE 12 2HG2 ILE 12 4.972 -2.338 5.731
96 2HG2 ILE 12 3HG2 ILE 12 6.450 -2.375 6.702
97 3HG2 ILE 12 1HG2 ILE 12 6.197 -1.060 5.582
98 1HD1 ILE 12 2HD1 ILE 12 8.562 -4.685 5.888
99 2HD1 ILE 12 3HD1 ILE 12 7.215 -4.436 7.026
100 3HD1 ILE 12 1HD1 ILE 12 7.416 -5.997 6.221
101 H TYR 13 HN TYR 13 3.635 -2.290 3.150
102 HA TYR 13 HA TYR 13 3.777 0.531 2.305
103 1HB TYR 13 2HB TYR 13 2.039 -0.857 1.376
104 2HB TYR 13 3HB TYR 13 1.504 -1.355 2.987
105 HD1 TYR 13 HD1 TYR 13 0.319 0.253 4.489
106 HD2 TYR 13 HD2 TYR 13 1.053 1.079 0.357
107 HE1 TYR 13 HE1 TYR 13 -1.251 2.152 4.552
108 HE2 TYR 13 HE2 TYR 13 -0.007 3.335 0.615
109 HH TYR 13 HOH TYR 13 -2.000 4.119 3.520
110 H ASN 14 HN ASN 14 3.559 2.219 3.697
111 HA ASN 14 HA ASN 14 2.953 1.658 6.552
112 1HB ASN 14 2HB ASN 14 5.360 2.258 6.160
113 2HB ASN 14 3HB ASN 14 4.839 3.777 5.431
114 1HD2 ASN 14 2HND ASN 14 5.625 4.587 8.923
115 2HD2 ASN 14 1HND ASN 14 6.265 4.567 7.293
116 HA PRO 15 HA PRO 15 -0.353 4.296 5.169
117 1HB PRO 15 2HB PRO 15 -1.854 4.358 7.522
118 2HB PRO 15 3HB PRO 15 -1.916 2.983 6.406
119 1HG PRO 15 2HG PRO 15 -0.334 3.175 8.944
120 2HG PRO 15 3HG PRO 15 -1.224 1.809 8.190
121 1HD PRO 15 2HD PRO 15 1.495 2.244 8.163
122 2HD PRO 15 3HD PRO 15 0.689 1.253 6.952
123 H GLU 16 HN GLU 16 1.387 4.771 8.201
124 HA GLU 16 HA GLU 16 0.452 7.402 8.688
125 1HB GLU 16 2HB GLU 16 3.065 6.069 9.479
126 2HB GLU 16 3HB GLU 16 2.313 7.487 10.191
127 1HG GLU 16 2HG GLU 16 0.181 5.787 10.331
128 2HG GLU 16 3HG GLU 16 1.460 4.559 10.288
129 H ASP 17 HN ASP 17 2.823 6.103 6.552
130 HA ASP 17 HA ASP 17 3.938 8.766 5.768
131 1HB ASP 17 2HB ASP 17 4.498 5.934 4.837
132 2HB ASP 17 3HB ASP 17 5.286 7.372 4.197
133 H GLY 18 HN GLY 18 1.722 6.186 4.716
134 1HA GLY 18 2HA GLY 18 0.342 5.970 3.002
135 2HA GLY 18 3HA GLY 18 0.445 7.705 2.657
136 H ASP 19 HN ASP 19 0.545 7.206 0.419
137 HA ASP 19 HA ASP 19 3.270 6.879 -0.594
138 1HB ASP 19 2HB ASP 19 1.071 4.883 -1.096
139 2HB ASP 19 3HB ASP 19 1.976 5.401 -2.510
140 HA PRO 20 HA PRO 20 0.259 10.202 -1.905
141 1HB PRO 20 2HB PRO 20 1.927 12.397 -1.598
142 2HB PRO 20 3HB PRO 20 0.862 11.721 -0.328
143 1HG PRO 20 2HG PRO 20 3.811 11.213 -0.756
144 2HG PRO 20 3HG PRO 20 2.965 11.547 0.783
145 1HD PRO 20 2HD PRO 20 3.626 9.028 0.061
146 2HD PRO 20 3HD PRO 20 2.058 9.355 0.851
147 H ASP 21 HN ASP 21 3.722 9.744 -2.813
148 HA ASP 21 HA ASP 21 3.784 11.170 -5.179
149 1HB ASP 21 2HB ASP 21 5.124 8.527 -4.418
150 2HB ASP 21 3HB ASP 21 5.676 9.663 -5.652
151 H ASN 22 HN ASN 22 2.305 8.122 -4.369
152 HA ASN 22 HA ASN 22 1.810 7.345 -7.186
153 1HB ASN 22 2HB ASN 22 1.324 5.810 -4.609
154 2HB ASN 22 3HB ASN 22 1.302 5.165 -6.245
155 1HD2 ASN 22 2HND ASN 22 4.847 5.622 -4.267
156 2HD2 ASN 22 1HND ASN 22 3.393 6.342 -3.619
157 H GLY 23 HN GLY 23 0.288 8.620 -4.378
158 1HA GLY 23 2HA GLY 23 -1.613 10.018 -5.066
159 2HA GLY 23 3HA GLY 23 -2.389 8.585 -5.748
160 H VAL 24 HN VAL 24 -0.725 7.854 -2.818
161 HA VAL 24 HA VAL 24 -3.345 7.681 -1.367
162 HB VAL 24 HB VAL 24 -0.778 6.115 -1.298
163 1HG1 VAL 24 2HG1 VAL 24 -3.189 5.910 0.523
164 2HG1 VAL 24 3HG1 VAL 24 -1.965 4.640 0.333
165 3HG1 VAL 24 1HG1 VAL 24 -1.497 6.211 1.001
166 1HG2 VAL 24 3HG2 VAL 24 -2.402 5.604 -3.138
167 2HG2 VAL 24 1HG2 VAL 24 -2.212 4.252 -2.005
168 3HG2 VAL 24 2HG2 VAL 24 -3.651 5.291 -1.921
169 H ASN 25 HN ASN 25 -3.593 9.304 0.031
170 HA ASN 25 HA ASN 25 -1.433 11.000 0.871
171 1HB ASN 25 2HB ASN 25 -4.359 10.694 1.631
172 2HB ASN 25 3HB ASN 25 -3.306 11.728 2.582
173 1HD2 ASN 25 2HND ASN 25 -3.989 12.852 -1.334
174 2HD2 ASN 25 1HND ASN 25 -4.035 11.149 -0.946
175 HA PRO 26 HA PRO 26 -0.086 8.831 4.556
176 1HB PRO 26 2HB PRO 26 0.288 10.923 6.356
177 2HB PRO 26 3HB PRO 26 1.456 10.370 5.139
178 1HG PRO 26 2HG PRO 26 -0.421 12.709 4.994
179 2HG PRO 26 3HG PRO 26 1.264 12.555 4.390
180 1HD PRO 26 2HD PRO 26 -0.965 12.375 2.768
181 2HD PRO 26 3HD PRO 26 0.553 11.493 2.425
182 H GLY 27 HN GLY 27 -0.909 8.097 6.419
183 1HA GLY 27 2HA GLY 27 -2.441 7.593 8.057
184 2HA GLY 27 3HA GLY 27 -3.305 9.109 7.737
185 H THR 28 HN THR 28 -2.693 6.830 4.981
186 HA THR 28 HA THR 28 -5.621 6.343 4.972
187 HB THR 28 HB THR 28 -3.434 5.981 2.870
188 HG1 THR 28 HG1 THR 28 -3.847 8.121 3.008
189 1HG2 THR 28 3HG2 THR 28 -6.453 5.698 2.763
190 2HG2 THR 28 1HG2 THR 28 -5.385 5.685 1.339
191 3HG2 THR 28 2HG2 THR 28 -5.241 4.406 2.564
192 H ASP 29 HN ASP 29 -6.246 4.516 5.805
193 HA ASP 29 HA ASP 29 -4.545 2.344 6.604
194 1HB ASP 29 2HB ASP 29 -6.871 2.946 7.452
195 2HB ASP 29 3HB ASP 29 -7.505 2.296 5.967
196 H PHE 30 HN PHE 30 -3.992 0.572 5.475
197 HA PHE 30 HA PHE 30 -3.941 0.401 2.683
198 1HB PHE 30 2HB PHE 30 -2.913 -1.081 4.580
199 2HB PHE 30 3HB PHE 30 -4.330 -2.097 4.351
200 HD1 PHE 30 HD2 PHE 30 -4.763 -2.877 1.811
201 HD2 PHE 30 HD1 PHE 30 -1.083 -1.154 3.207
202 HE1 PHE 30 HE2 PHE 30 -3.600 -3.628 -0.248
203 HE2 PHE 30 HE1 PHE 30 0.110 -2.123 1.242
204 HZ PHE 30 HZ PHE 30 -1.158 -3.383 -0.423
205 H LYS 31 HN LYS 31 -6.745 -0.384 4.827
206 HA LYS 31 HA LYS 31 -8.072 -1.881 2.686
207 1HB LYS 31 2HB LYS 31 -9.955 -1.966 4.100
208 2HB LYS 31 3HB LYS 31 -8.491 -2.254 5.062
209 1HG LYS 31 2HG LYS 31 -8.563 0.321 5.511
210 2HG LYS 31 3HG LYS 31 -10.174 0.267 4.868
211 1HD LYS 31 2HD LYS 31 -10.697 -1.513 6.618
212 2HD LYS 31 3HD LYS 31 -9.010 -1.347 7.166
213 1HE LYS 31 2HE LYS 31 -9.943 1.318 7.136
214 2HE LYS 31 3HE LYS 31 -11.358 0.425 7.696
215 1HZ LYS 31 3HNZ LYS 31 -9.889 -0.517 9.427
216 2HZ LYS 31 1HNZ LYS 31 -8.635 0.370 8.832
217 3HZ LYS 31 2HNZ LYS 31 -9.919 1.138 9.487
218 H ASP 32 HN ASP 32 -7.877 1.476 3.779
219 HA ASP 32 HA ASP 32 -10.194 2.445 2.329
220 1HB ASP 32 2HB ASP 32 -7.885 3.931 3.660
221 2HB ASP 32 3HB ASP 32 -9.378 4.652 3.063
222 H ILE 33 HN ILE 33 -6.803 1.763 1.546
223 HA ILE 33 HA ILE 33 -6.249 3.657 -0.362
224 HB ILE 33 HB ILE 33 -5.637 0.748 -0.166
225 1HG1 ILE 33 2HG1 ILE 33 -4.266 3.292 0.671
226 2HG1 ILE 33 3HG1 ILE 33 -4.790 2.025 1.705
227 1HG2 ILE 33 1HG2 ILE 33 -5.262 1.526 -2.465
228 2HG2 ILE 33 2HG2 ILE 33 -4.116 2.727 -1.794
229 3HG2 ILE 33 3HG2 ILE 33 -3.829 0.972 -1.608
230 1HD1 ILE 33 3HD1 ILE 33 -3.100 0.480 0.492
231 2HD1 ILE 33 1HD1 ILE 33 -2.392 2.000 -0.134
232 3HD1 ILE 33 2HD1 ILE 33 -2.487 1.696 1.609
233 HA PRO 34 HA PRO 34 -9.548 2.566 -3.271
234 1HB PRO 34 2HB PRO 34 -8.175 3.618 -5.572
235 2HB PRO 34 3HB PRO 34 -9.452 4.380 -4.603
236 1HG PRO 34 2HG PRO 34 -6.623 5.075 -4.703
237 2HG PRO 34 3HG PRO 34 -7.897 5.826 -3.705
238 1HD PRO 34 2HD PRO 34 -5.833 3.870 -2.891
239 2HD PRO 34 3HD PRO 34 -6.865 4.891 -1.876
240 H ASP 35 HN ASP 35 -9.836 0.646 -4.483
241 HA ASP 35 HA ASP 35 -7.517 -1.044 -4.757
242 1HB ASP 35 2HB ASP 35 -10.468 -1.299 -4.820
243 2HB ASP 35 3HB ASP 35 -9.628 -2.301 -5.975
244 H ASP 36 HN ASP 36 -8.619 1.421 -6.670
245 HA ASP 36 HA ASP 36 -7.658 0.560 -9.236
246 1HB ASP 36 2HB ASP 36 -8.868 2.853 -8.136
247 2HB ASP 36 3HB ASP 36 -7.344 3.324 -8.910
248 H TRP 37 HN TRP 37 -6.150 1.491 -6.247
249 HA TRP 37 HA TRP 37 -3.771 2.668 -7.381
250 1HB TRP 37 2HB TRP 37 -4.560 3.263 -5.134
251 2HB TRP 37 3HB TRP 37 -4.393 1.585 -4.638
252 HD1 TRP 37 HD TRP 37 -2.111 4.580 -5.424
253 HE1 TRP 37 HNE TRP 37 0.078 4.214 -4.143
254 HE3 TRP 37 HE TRP 37 -2.859 -0.217 -3.983
255 HZ2 TRP 37 HZ1 TRP 37 1.313 2.110 -2.562
256 HZ3 TRP 37 HZ2 TRP 37 -1.147 -1.424 -2.585
257 HH2 TRP 37 HH TRP 37 0.905 -0.247 -1.853
258 H VAL 38 HN VAL 38 -1.720 1.830 -7.395
259 HA VAL 38 HA VAL 38 -1.397 -1.117 -7.396
260 HB VAL 38 HB VAL 38 0.258 -0.615 -9.278
261 1HG1 VAL 38 2HG1 VAL 38 -2.711 -0.146 -9.810
262 2HG1 VAL 38 3HG1 VAL 38 -1.504 -0.588 -11.034
263 3HG1 VAL 38 1HG1 VAL 38 -1.888 -1.715 -9.726
264 1HG2 VAL 38 3HG2 VAL 38 0.351 1.873 -8.966
265 2HG2 VAL 38 1HG2 VAL 38 -0.022 1.370 -10.622
266 3HG2 VAL 38 2HG2 VAL 38 -1.315 1.978 -9.582
267 H CYS 39 HN CYN 39 0.740 -1.837 -6.923
268 HA CYS 39 HA CYN 39 2.006 -1.047 -4.734
269 1HB CYS 39 2HB CYN 39 2.964 -2.314 -7.273
270 2HB CYS 39 3HB CYN 39 4.150 -1.899 -6.029
271 HA PRO 40 HA PRO 40 3.866 2.833 -5.365
272 1HB PRO 40 2HB PRO 40 5.769 2.951 -3.410
273 2HB PRO 40 3HB PRO 40 4.018 2.839 -3.083
274 1HG PRO 40 2HG PRO 40 5.981 0.537 -3.145
275 2HG PRO 40 3HG PRO 40 4.835 0.973 -1.835
276 1HD PRO 40 2HD PRO 40 4.200 -0.886 -3.713
277 2HD PRO 40 3HD PRO 40 2.981 0.272 -3.109
278 H LEU 41 HN LEU 41 6.122 0.030 -5.457
279 HA LEU 41 HA LEU 41 7.526 1.370 -7.657
280 1HB LEU 41 2HB LEU 41 8.583 2.063 -5.410
281 2HB LEU 41 3HB LEU 41 9.083 0.382 -5.236
282 HG LEU 41 HG LEU 41 10.488 0.616 -7.297
283 1HD1 LEU 41 3HD1 LEU 41 9.429 3.478 -7.300
284 2HD1 LEU 41 1HD1 LEU 41 10.862 2.939 -8.201
285 3HD1 LEU 41 2HD1 LEU 41 9.280 2.278 -8.606
286 1HD2 LEU 41 1HD2 LEU 41 11.422 1.123 -5.078
287 2HD2 LEU 41 2HD2 LEU 41 12.148 2.140 -6.334
288 3HD2 LEU 41 3HD2 LEU 41 10.919 2.821 -5.246
289 H CYS 42 HN CYN 42 5.764 -0.826 -7.533
290 HA CYS 42 HA CYN 42 7.567 -2.999 -8.518
291 1HB CYS 42 2HB CYN 42 5.003 -3.765 -7.240
292 2HB CYS 42 3HB CYN 42 6.526 -4.627 -7.373
293 H GLY 43 HN GLY 43 4.232 -1.661 -8.602
294 1HA GLY 43 2HA GLY 43 2.966 -1.171 -10.470
295 2HA GLY 43 3HA GLY 43 4.162 -1.937 -11.518
296 H VAL 44 HN VAL 44 1.866 -2.885 -8.875
297 HA VAL 44 HA VAL 44 0.418 -4.655 -10.634
298 HB VAL 44 HB VAL 44 2.214 -6.155 -9.906
299 1HG1 VAL 44 3HG1 VAL 44 2.904 -5.068 -7.814
300 2HG1 VAL 44 1HG1 VAL 44 1.368 -5.536 -7.047
301 3HG1 VAL 44 2HG1 VAL 44 2.534 -6.773 -7.544
302 1HG2 VAL 44 3HG2 VAL 44 -0.109 -7.059 -10.139
303 2HG2 VAL 44 1HG2 VAL 44 0.923 -7.971 -9.021
304 3HG2 VAL 44 2HG2 VAL 44 -0.312 -6.885 -8.377
305 H GLY 45 HN GLY 45 -1.638 -5.316 -9.454
306 1HA GLY 45 2HA GLY 45 -2.730 -3.060 -7.996
307 2HA GLY 45 3HA GLY 45 -3.520 -4.605 -8.339
308 H LYS 46 HN LYS 46 -3.881 -3.381 -5.901
309 HA LYS 46 HA LYS 46 -2.248 -4.044 -3.726
310 1HB LYS 46 2HB LYS 46 -5.277 -4.098 -3.956
311 2HB LYS 46 3HB LYS 46 -4.367 -4.156 -2.431
312 1HG LYS 46 2HG LYS 46 -3.504 -1.947 -2.772
313 2HG LYS 46 3HG LYS 46 -4.212 -1.892 -4.416
314 1HD LYS 46 2HD LYS 46 -5.749 -0.676 -3.145
315 2HD LYS 46 3HD LYS 46 -6.455 -2.285 -3.337
316 1HE LYS 46 2HE LYS 46 -5.667 -2.883 -1.033
317 2HE LYS 46 3HE LYS 46 -5.071 -1.245 -0.853
318 1HZ LYS 46 2HNZ LYS 46 -7.906 -1.923 -1.431
319 2HZ LYS 46 3HNZ LYS 46 -7.295 -1.481 0.083
320 3HZ LYS 46 1HNZ LYS 46 -7.353 -0.430 -1.155
321 H ASP 47 HN ASP 47 -4.896 -6.021 -5.050
322 HA ASP 47 HA ASP 47 -5.705 -8.000 -4.232
323 1HB ASP 47 2HB ASP 47 -4.953 -8.305 -6.498
324 2HB ASP 47 3HB ASP 47 -3.335 -8.772 -5.937
325 H GLN 48 HN GLN 48 -5.546 -8.033 -2.057
326 HA GLN 48 HA GLN 48 -5.231 -9.024 -0.104
327 1HB GLN 48 2HB GLN 48 -4.874 -11.056 -1.645
328 2HB GLN 48 3HB GLN 48 -3.164 -10.946 -1.232
329 1HG GLN 48 2HG GLN 48 -5.391 -11.128 0.854
330 2HG GLN 48 3HG GLN 48 -4.700 -12.555 0.090
331 1HE2 GLN 48 2HNE GLN 48 -1.517 -12.312 1.764
332 2HE2 GLN 48 1HNE GLN 48 -2.252 -12.821 0.256
333 H PHE 49 HN PHE 49 -3.701 -9.048 1.783
334 HA PHE 49 HA PHE 49 -1.268 -7.547 1.626
335 1HB PHE 49 2HB PHE 49 -2.290 -5.354 2.443
336 2HB PHE 49 3HB PHE 49 -2.384 -5.751 0.762
337 HD1 PHE 49 HD2 PHE 49 -4.461 -5.571 3.851
338 HD2 PHE 49 HD1 PHE 49 -4.469 -6.009 -0.430
339 HE1 PHE 49 HE2 PHE 49 -6.833 -4.902 3.800
340 HE2 PHE 49 HE1 PHE 49 -6.873 -5.409 -0.478
341 HZ PHE 49 HZ PHE 49 -8.053 -4.813 1.631
342 H GLU 50 HN GLU 50 -0.341 -8.441 3.372
343 HA GLU 50 HA GLU 50 -1.995 -9.400 5.622
344 1HB GLU 50 2HB GLU 50 0.974 -9.579 4.987
345 2HB GLU 50 3HB GLU 50 0.212 -10.309 6.373
346 1HG GLU 50 2HG GLU 50 -1.204 -11.717 4.903
347 2HG GLU 50 3HG GLU 50 -0.559 -10.910 3.464
348 H GLU 51 HN GLU 51 -1.917 -8.397 7.714
349 HA GLU 51 HA GLU 51 -0.962 -5.653 7.735
350 1HB GLU 51 2HB GLU 51 -3.157 -6.239 8.648
351 2HB GLU 51 3HB GLU 51 -2.443 -7.463 9.716
352 1HG GLU 51 2HG GLU 51 -1.305 -5.909 10.964
353 2HG GLU 51 3HG GLU 51 -1.626 -4.553 9.851
354 H VAL 52 HN VAL 52 0.831 -4.905 8.900
355 HA VAL 52 HA VAL 52 2.699 -6.907 9.986
356 HB VAL 52 HB VAL 52 2.910 -4.150 8.701
357 1HG1 VAL 52 1HG1 VAL 52 5.046 -5.593 10.322
358 2HG1 VAL 52 2HG1 VAL 52 5.316 -4.172 9.277
359 3HG1 VAL 52 3HG1 VAL 52 4.281 -4.035 10.704
360 1HG2 VAL 52 1HG2 VAL 52 2.942 -6.126 7.244
361 2HG2 VAL 52 2HG2 VAL 52 4.457 -5.208 7.232
362 3HG2 VAL 52 3HG2 VAL 52 4.357 -6.744 8.127
363 H GLU 53 HN GLU 53 2.274 -7.162 12.083
364 HA GLU 53 HA GLU 53 0.767 -5.374 13.643
365 1HB GLU 53 2HB GLU 53 1.112 -7.036 15.361
366 2HB GLU 53 3HB GLU 53 0.512 -7.710 13.845
367 1HG GLU 53 2HG GLU 53 2.871 -8.525 13.356
368 2HG GLU 53 3HG GLU 53 3.361 -7.920 14.936
369 H GLU 54 HN GLU 54 2.456 -3.696 13.083
370 HA GLU 54 HA GLU 54 4.188 -3.164 15.444
371 1HB GLU 54 2HB GLU 54 3.317 -1.170 13.340
372 2HB GLU 54 3HB GLU 54 4.601 -1.014 14.538
373 1HG GLU 54 2HG GLU 54 5.249 -3.364 13.023
374 2HG GLU 54 3HG GLU 54 4.698 -2.152 11.860
No H/Q in entry = 374
Start of MODEL 4
1 1H MET 1 1HN MET 1 -5.693 -0.373 9.404
2 2H MET 1 2HN MET 1 -6.503 1.082 9.369
3 3H MET 1 3HN MET 1 -5.300 0.738 8.322
4 HA MET 1 HA MET 1 -4.968 1.140 11.222
5 1HB MET 1 2HB MET 1 -2.875 2.477 10.159
6 2HB MET 1 3HB MET 1 -3.888 2.481 8.743
7 1HG MET 1 2HG MET 1 -5.637 3.612 10.242
8 2HG MET 1 3HG MET 1 -4.425 3.578 11.528
9 1HE MET 1 2HE MET 1 -5.411 6.327 11.330
10 2HE MET 1 3HE MET 1 -3.861 5.970 12.142
11 3HE MET 1 1HE MET 1 -3.967 7.311 10.984
12 H LYS 2 HN LYS 2 -2.299 1.016 11.349
13 HA LYS 2 HA LYS 2 -0.475 -0.243 11.480
14 1HB LYS 2 2HB LYS 2 -2.121 -2.659 10.711
15 2HB LYS 2 3HB LYS 2 -0.600 -2.592 11.613
16 1HG LYS 2 2HG LYS 2 -1.877 -1.209 13.381
17 2HG LYS 2 3HG LYS 2 -3.368 -1.703 12.509
18 1HD LYS 2 2HD LYS 2 -2.429 -4.057 12.556
19 2HD LYS 2 3HD LYS 2 -1.244 -3.494 13.732
20 1HE LYS 2 2HE LYS 2 -4.312 -3.445 13.967
21 2HE LYS 2 3HE LYS 2 -3.258 -4.631 14.745
22 1HZ LYS 2 3HNZ LYS 2 -3.239 -1.732 15.291
23 2HZ LYS 2 1HNZ LYS 2 -3.893 -2.887 16.266
24 3HZ LYS 2 2HNZ LYS 2 -2.266 -2.848 16.013
25 H LYS 3 HN LYS 3 1.054 -1.682 10.264
26 HA LYS 3 HA LYS 3 1.150 -0.643 7.525
27 1HB LYS 3 2HB LYS 3 3.132 -2.254 9.166
28 2HB LYS 3 3HB LYS 3 3.440 -1.468 7.616
29 1HG LYS 3 2HG LYS 3 2.930 0.734 8.586
30 2HG LYS 3 3HG LYS 3 2.524 -0.007 10.124
31 1HD LYS 3 2HD LYS 3 4.823 -1.010 10.237
32 2HD LYS 3 3HD LYS 3 5.300 0.075 8.913
33 1HE LYS 3 2HE LYS 3 4.820 2.039 10.282
34 2HE LYS 3 3HE LYS 3 3.926 1.075 11.468
35 1HZ LYS 3 3HNZ LYS 3 6.812 0.757 11.080
36 2HZ LYS 3 1HNZ LYS 3 6.074 1.644 12.273
37 3HZ LYS 3 2HNZ LYS 3 5.823 0.051 12.202
38 H TYR 4 HN TYR 4 1.882 -2.139 5.849
39 HA TYR 4 HA TYR 4 0.844 -4.902 6.129
40 1HB TYR 4 2HB TYR 4 -0.276 -2.805 4.264
41 2HB TYR 4 3HB TYR 4 -0.295 -4.483 3.784
42 HD1 TYR 4 HD1 TYR 4 -1.590 -2.183 6.455
43 HD2 TYR 4 HD2 TYR 4 -1.928 -5.959 4.449
44 HE1 TYR 4 HE1 TYR 4 -3.363 -2.864 8.047
45 HE2 TYR 4 HE2 TYR 4 -3.841 -6.576 5.933
46 HH TYR 4 HOH TYR 4 -4.411 -5.026 8.903
47 H THR 5 HN THR 5 1.948 -6.382 4.941
48 HA THR 5 HA THR 5 4.052 -5.316 3.095
49 HB THR 5 HB THR 5 4.750 -6.849 4.862
50 HG1 THR 5 HG1 THR 5 6.154 -7.789 3.500
51 1HG2 THR 5 2HG2 THR 5 2.820 -8.396 4.907
52 2HG2 THR 5 3HG2 THR 5 3.265 -9.003 3.293
53 3HG2 THR 5 1HG2 THR 5 4.352 -9.248 4.668
54 H CYS 6 HN CYN 6 4.093 -5.622 0.966
55 HA CYS 6 HA CYN 6 1.691 -6.432 -0.497
56 1HB CYS 6 2HB CYN 6 2.883 -4.406 -1.021
57 2HB CYS 6 3HB CYN 6 4.386 -5.277 -1.263
58 H THR 7 HN THR 7 2.482 -8.619 0.890
59 HA THR 7 HA THR 7 3.400 -10.710 0.818
60 HB THR 7 HB THR 7 2.110 -10.560 -1.945
61 HG1 THR 7 HG1 THR 7 0.692 -9.691 -0.605
62 1HG2 THR 7 1HG2 THR 7 2.569 -12.809 0.074
63 2HG2 THR 7 2HG2 THR 7 1.226 -12.858 -1.072
64 3HG2 THR 7 3HG2 THR 7 2.870 -12.825 -1.681
65 H VAL 8 HN VAL 8 4.045 -11.383 -2.457
66 HA VAL 8 HA VAL 8 6.934 -11.420 -1.864
67 HB VAL 8 HB VAL 8 5.384 -12.538 -4.227
68 1HG1 VAL 8 1HG1 VAL 8 8.268 -12.984 -3.305
69 2HG1 VAL 8 2HG1 VAL 8 7.450 -13.877 -4.601
70 3HG1 VAL 8 3HG1 VAL 8 7.789 -12.161 -4.800
71 1HG2 VAL 8 2HG2 VAL 8 4.822 -13.697 -2.081
72 2HG2 VAL 8 3HG2 VAL 8 5.780 -14.726 -3.139
73 3HG2 VAL 8 1HG2 VAL 8 6.545 -13.916 -1.757
74 H CYS 9 HN CYN 9 6.704 -9.017 -1.749
75 HA CYS 9 HA CYN 9 7.553 -7.840 -4.386
76 1HB CYS 9 2HB CYN 9 5.304 -7.118 -3.905
77 2HB CYS 9 3HB CYN 9 5.772 -6.649 -2.264
78 H GLY 10 HN GLY 10 7.358 -6.784 -0.982
79 1HA GLY 10 2HA GLY 10 9.175 -6.687 0.577
80 2HA GLY 10 3HA GLY 10 10.341 -6.757 -0.748
81 H TYR 11 HN TYR 11 7.540 -4.740 0.224
82 HA TYR 11 HA TYR 11 9.201 -2.281 -0.108
83 1HB TYR 11 2HB TYR 11 7.521 -2.922 -2.024
84 2HB TYR 11 3HB TYR 11 6.288 -2.312 -0.939
85 HD1 TYR 11 HD2 TYR 11 6.864 0.133 0.113
86 HD2 TYR 11 HD1 TYR 11 8.523 -1.489 -3.529
87 HE1 TYR 11 HE2 TYR 11 7.555 2.403 -0.594
88 HE2 TYR 11 HE1 TYR 11 9.178 0.775 -4.235
89 HH TYR 11 HOH TYR 11 9.239 3.002 -3.694
90 H ILE 12 HN ILE 12 6.015 -3.378 1.002
91 HA ILE 12 HA ILE 12 4.872 -3.211 2.863
92 HB ILE 12 HB ILE 12 7.400 -2.228 4.188
93 1HG1 ILE 12 2HG1 ILE 12 5.575 -4.610 4.680
94 2HG1 ILE 12 3HG1 ILE 12 6.921 -4.666 3.536
95 1HG2 ILE 12 2HG2 ILE 12 4.629 -2.388 5.442
96 2HG2 ILE 12 3HG2 ILE 12 6.147 -2.233 6.343
97 3HG2 ILE 12 1HG2 ILE 12 5.635 -0.931 5.295
98 1HD1 ILE 12 3HD1 ILE 12 8.502 -4.150 5.376
99 2HD1 ILE 12 1HD1 ILE 12 7.154 -4.214 6.538
100 3HD1 ILE 12 2HD1 ILE 12 7.599 -5.658 5.621
101 H TYR 13 HN TYR 13 3.192 -2.012 2.962
102 HA TYR 13 HA TYR 13 3.244 0.860 2.270
103 1HB TYR 13 2HB TYR 13 1.496 -0.593 1.334
104 2HB TYR 13 3HB TYR 13 1.036 -1.104 2.964
105 HD1 TYR 13 HD1 TYR 13 -0.206 0.409 4.468
106 HD2 TYR 13 HD2 TYR 13 0.612 1.447 0.408
107 HE1 TYR 13 HE1 TYR 13 -1.697 2.376 4.637
108 HE2 TYR 13 HE2 TYR 13 -0.362 3.727 0.785
109 HH TYR 13 HOH TYR 13 -2.378 4.425 3.688
110 H ASN 14 HN ASN 14 3.181 2.401 3.854
111 HA ASN 14 HA ASN 14 2.551 1.622 6.668
112 1HB ASN 14 2HB ASN 14 4.975 2.224 6.353
113 2HB ASN 14 3HB ASN 14 4.472 3.793 5.735
114 1HD2 ASN 14 2HND ASN 14 5.207 4.298 9.300
115 2HD2 ASN 14 1HND ASN 14 5.851 4.469 7.683
116 HA PRO 15 HA PRO 15 -0.691 4.409 5.437
117 1HB PRO 15 2HB PRO 15 -2.198 4.378 7.773
118 2HB PRO 15 3HB PRO 15 -2.319 3.127 6.534
119 1HG PRO 15 2HG PRO 15 -0.840 3.031 9.133
120 2HG PRO 15 3HG PRO 15 -1.646 1.716 8.219
121 1HD PRO 15 2HD PRO 15 1.055 2.156 8.334
122 2HD PRO 15 3HD PRO 15 0.297 1.242 7.034
123 H GLU 16 HN GLU 16 1.036 4.712 8.549
124 HA GLU 16 HA GLU 16 0.164 7.340 9.123
125 1HB GLU 16 2HB GLU 16 2.761 5.906 9.791
126 2HB GLU 16 3HB GLU 16 2.185 7.414 10.490
127 1HG GLU 16 2HG GLU 16 0.004 6.061 11.078
128 2HG GLU 16 3HG GLU 16 0.987 4.620 10.764
129 H ASP 17 HN ASP 17 2.505 6.082 6.863
130 HA ASP 17 HA ASP 17 3.616 8.788 6.224
131 1HB ASP 17 2HB ASP 17 4.293 5.972 5.346
132 2HB ASP 17 3HB ASP 17 5.020 7.411 4.629
133 H GLY 18 HN GLY 18 1.404 6.272 5.035
134 1HA GLY 18 2HA GLY 18 0.080 6.140 3.263
135 2HA GLY 18 3HA GLY 18 0.278 7.878 2.950
136 H ASP 19 HN ASP 19 0.402 7.393 0.709
137 HA ASP 19 HA ASP 19 3.140 6.959 -0.227
138 1HB ASP 19 2HB ASP 19 0.906 5.041 -0.777
139 2HB ASP 19 3HB ASP 19 1.749 5.582 -2.212
140 HA PRO 20 HA PRO 20 0.299 10.417 -1.609
141 1HB PRO 20 2HB PRO 20 2.025 12.546 -1.179
142 2HB PRO 20 3HB PRO 20 0.849 11.906 0.011
143 1HG PRO 20 2HG PRO 20 3.804 11.315 -0.211
144 2HG PRO 20 3HG PRO 20 2.850 11.627 1.269
145 1HD PRO 20 2HD PRO 20 3.523 9.112 0.509
146 2HD PRO 20 3HD PRO 20 1.926 9.446 1.229
147 H ASP 21 HN ASP 21 3.792 9.876 -2.316
148 HA ASP 21 HA ASP 21 4.067 11.290 -4.658
149 1HB ASP 21 2HB ASP 21 5.191 8.580 -3.778
150 2HB ASP 21 3HB ASP 21 5.859 9.595 -5.059
151 H ASN 22 HN ASN 22 2.402 8.301 -3.991
152 HA ASN 22 HA ASN 22 2.030 7.592 -6.848
153 1HB ASN 22 2HB ASN 22 1.290 6.091 -4.327
154 2HB ASN 22 3HB ASN 22 1.314 5.430 -5.960
155 1HD2 ASN 22 2HND ASN 22 4.697 5.621 -3.665
156 2HD2 ASN 22 1HND ASN 22 3.290 6.528 -3.222
157 H GLY 23 HN GLY 23 0.405 8.793 -4.053
158 1HA GLY 23 2HA GLY 23 -1.388 10.343 -4.827
159 2HA GLY 23 3HA GLY 23 -2.194 8.949 -5.553
160 H VAL 24 HN VAL 24 -0.699 8.158 -2.530
161 HA VAL 24 HA VAL 24 -3.397 8.093 -1.220
162 HB VAL 24 HB VAL 24 -0.928 6.377 -1.049
163 1HG1 VAL 24 1HG1 VAL 24 -3.440 6.330 0.645
164 2HG1 VAL 24 2HG1 VAL 24 -2.321 4.962 0.494
165 3HG1 VAL 24 3HG1 VAL 24 -1.751 6.481 1.206
166 1HG2 VAL 24 3HG2 VAL 24 -2.518 6.017 -2.974
167 2HG2 VAL 24 1HG2 VAL 24 -2.411 4.625 -1.876
168 3HG2 VAL 24 2HG2 VAL 24 -3.812 5.717 -1.805
169 H ASN 25 HN ASN 25 -3.637 9.676 0.223
170 HA ASN 25 HA ASN 25 -1.457 11.252 1.195
171 1HB ASN 25 2HB ASN 25 -4.419 11.035 1.836
172 2HB ASN 25 3HB ASN 25 -3.373 11.987 2.877
173 1HD2 ASN 25 2HND ASN 25 -3.860 13.293 -1.010
174 2HD2 ASN 25 1HND ASN 25 -4.027 11.585 -0.684
175 HA PRO 26 HA PRO 26 -0.259 8.977 4.846
176 1HB PRO 26 2HB PRO 26 0.143 11.004 6.705
177 2HB PRO 26 3HB PRO 26 1.310 10.469 5.479
178 1HG PRO 26 2HG PRO 26 -0.536 12.841 5.390
179 2HG PRO 26 3HG PRO 26 1.154 12.689 4.797
180 1HD PRO 26 2HD PRO 26 -1.054 12.586 3.150
181 2HD PRO 26 3HD PRO 26 0.458 11.698 2.796
182 H GLY 27 HN GLY 27 -1.116 8.214 6.697
183 1HA GLY 27 2HA GLY 27 -2.695 7.679 8.246
184 2HA GLY 27 3HA GLY 27 -3.496 9.241 8.001
185 H THR 28 HN THR 28 -2.970 7.218 5.041
186 HA THR 28 HA THR 28 -5.891 6.842 5.012
187 HB THR 28 HB THR 28 -3.725 6.316 2.946
188 HG1 THR 28 HG1 THR 28 -4.049 8.487 3.132
189 1HG2 THR 28 2HG2 THR 28 -6.772 6.122 2.869
190 2HG2 THR 28 3HG2 THR 28 -5.726 6.125 1.425
191 3HG2 THR 28 1HG2 THR 28 -5.577 4.827 2.624
192 H ASP 29 HN ASP 29 -6.628 5.088 5.889
193 HA ASP 29 HA ASP 29 -5.188 2.771 6.682
194 1HB ASP 29 2HB ASP 29 -7.548 3.564 7.343
195 2HB ASP 29 3HB ASP 29 -8.093 2.899 5.820
196 H PHE 30 HN PHE 30 -4.586 1.023 5.560
197 HA PHE 30 HA PHE 30 -4.395 0.770 2.802
198 1HB PHE 30 2HB PHE 30 -3.481 -0.665 4.798
199 2HB PHE 30 3HB PHE 30 -4.939 -1.629 4.579
200 HD1 PHE 30 HD1 PHE 30 -5.379 -2.440 2.047
201 HD2 PHE 30 HD2 PHE 30 -1.583 -1.140 3.594
202 HE1 PHE 30 HE1 PHE 30 -4.255 -3.287 0.035
203 HE2 PHE 30 HE2 PHE 30 -0.456 -2.083 1.577
204 HZ PHE 30 HZ PHE 30 -1.802 -3.045 -0.222
205 H LYS 31 HN LYS 31 -7.289 0.115 4.907
206 HA LYS 31 HA LYS 31 -8.551 -1.441 2.795
207 1HB LYS 31 2HB LYS 31 -10.477 -1.476 4.131
208 2HB LYS 31 3HB LYS 31 -9.065 -1.665 5.194
209 1HG LYS 31 2HG LYS 31 -9.181 0.894 5.498
210 2HG LYS 31 3HG LYS 31 -10.714 0.810 4.666
211 1HD LYS 31 2HD LYS 31 -11.531 -0.783 6.421
212 2HD LYS 31 3HD LYS 31 -9.937 -0.685 7.191
213 1HE LYS 31 2HE LYS 31 -11.544 0.810 8.368
214 2HE LYS 31 3HE LYS 31 -10.211 1.716 7.648
215 1HZ LYS 31 3HNZ LYS 31 -11.638 2.326 5.814
216 2HZ LYS 31 1HNZ LYS 31 -12.903 1.527 6.472
217 3HZ LYS 31 2HNZ LYS 31 -12.219 2.839 7.215
218 H ASP 32 HN ASP 32 -8.342 1.940 3.694
219 HA ASP 32 HA ASP 32 -10.572 2.822 2.019
220 1HB ASP 32 2HB ASP 32 -8.606 4.230 3.880
221 2HB ASP 32 3HB ASP 32 -9.872 5.060 3.002
222 H ILE 33 HN ILE 33 -7.165 2.179 1.539
223 HA ILE 33 HA ILE 33 -6.486 4.090 -0.297
224 HB ILE 33 HB ILE 33 -5.934 1.163 -0.196
225 1HG1 ILE 33 2HG1 ILE 33 -4.551 3.652 0.798
226 2HG1 ILE 33 3HG1 ILE 33 -5.167 2.394 1.788
227 1HG2 ILE 33 1HG2 ILE 33 -5.429 2.110 -2.430
228 2HG2 ILE 33 2HG2 ILE 33 -4.287 3.202 -1.599
229 3HG2 ILE 33 3HG2 ILE 33 -4.082 1.426 -1.515
230 1HD1 ILE 33 3HD1 ILE 33 -3.484 0.800 0.607
231 2HD1 ILE 33 1HD1 ILE 33 -2.694 2.303 0.050
232 3HD1 ILE 33 2HD1 ILE 33 -2.872 1.963 1.776
233 HA PRO 34 HA PRO 34 -9.598 3.237 -3.522
234 1HB PRO 34 2HB PRO 34 -7.605 4.142 -5.511
235 2HB PRO 34 3HB PRO 34 -9.176 4.878 -5.099
236 1HG PRO 34 2HG PRO 34 -6.705 5.975 -4.443
237 2HG PRO 34 3HG PRO 34 -8.210 6.264 -3.524
238 1HD PRO 34 2HD PRO 34 -5.930 4.418 -2.814
239 2HD PRO 34 3HD PRO 34 -7.019 5.367 -1.781
240 H ASP 35 HN ASP 35 -9.978 1.341 -4.883
241 HA ASP 35 HA ASP 35 -7.910 -0.649 -5.041
242 1HB ASP 35 2HB ASP 35 -10.796 -0.304 -5.915
243 2HB ASP 35 3HB ASP 35 -9.815 -1.626 -6.475
244 H ASP 36 HN ASP 36 -8.637 2.116 -7.013
245 HA ASP 36 HA ASP 36 -7.328 1.043 -9.385
246 1HB ASP 36 2HB ASP 36 -7.513 3.453 -10.080
247 2HB ASP 36 3HB ASP 36 -9.062 2.701 -9.670
248 H TRP 37 HN TRP 37 -6.196 2.023 -6.296
249 HA TRP 37 HA TRP 37 -3.783 3.365 -7.234
250 1HB TRP 37 2HB TRP 37 -4.684 3.834 -5.024
251 2HB TRP 37 3HB TRP 37 -4.545 2.129 -4.596
252 HD1 TRP 37 HD TRP 37 -2.167 5.070 -5.301
253 HE1 TRP 37 HNE TRP 37 0.011 4.619 -4.014
254 HE3 TRP 37 HE TRP 37 -3.149 0.366 -3.708
255 HZ2 TRP 37 HZ1 TRP 37 1.181 2.472 -2.455
256 HZ3 TRP 37 HZ2 TRP 37 -1.481 -0.907 -2.326
257 HH2 TRP 37 HH TRP 37 0.685 0.143 -1.726
258 H VAL 38 HN VAL 38 -1.627 2.447 -6.905
259 HA VAL 38 HA VAL 38 -1.474 -0.442 -7.578
260 HB VAL 38 HB VAL 38 -0.005 1.819 -8.999
261 1HG1 VAL 38 1HG1 VAL 38 1.013 -0.524 -9.061
262 2HG1 VAL 38 2HG1 VAL 38 -0.495 -1.047 -9.850
263 3HG1 VAL 38 3HG1 VAL 38 0.561 0.127 -10.643
264 1HG2 VAL 38 2HG2 VAL 38 -2.562 0.358 -9.811
265 2HG2 VAL 38 3HG2 VAL 38 -2.351 2.110 -9.592
266 3HG2 VAL 38 1HG2 VAL 38 -1.556 1.291 -10.937
267 H CYS 39 HN CYN 39 0.467 -1.433 -6.868
268 HA CYS 39 HA CYN 39 1.724 -0.249 -4.583
269 1HB CYS 39 2HB CYN 39 1.362 -2.583 -4.617
270 2HB CYS 39 3HB CYN 39 2.158 -2.769 -6.183
271 HA PRO 40 HA PRO 40 4.920 1.882 -6.909
272 1HB PRO 40 2HB PRO 40 6.794 2.326 -4.945
273 2HB PRO 40 3HB PRO 40 5.250 3.209 -5.056
274 1HG PRO 40 2HG PRO 40 5.845 0.784 -3.348
275 2HG PRO 40 3HG PRO 40 5.086 2.325 -2.835
276 1HD PRO 40 2HD PRO 40 3.632 0.137 -3.445
277 2HD PRO 40 3HD PRO 40 3.065 1.754 -3.960
278 H LEU 41 HN LEU 41 6.336 0.976 -8.287
279 HA LEU 41 HA LEU 41 7.963 -0.296 -9.215
280 1HB LEU 41 2HB LEU 41 9.075 -0.689 -6.410
281 2HB LEU 41 3HB LEU 41 9.933 -0.824 -7.943
282 HG LEU 41 HG LEU 41 8.848 1.719 -6.669
283 1HD1 LEU 41 2HD1 LEU 41 10.962 0.763 -5.726
284 2HD1 LEU 41 3HD1 LEU 41 11.684 0.818 -7.341
285 3HD1 LEU 41 1HD1 LEU 41 11.219 2.325 -6.524
286 1HD2 LEU 41 1HD2 LEU 41 10.216 1.315 -9.372
287 2HD2 LEU 41 2HD2 LEU 41 8.579 1.955 -9.097
288 3HD2 LEU 41 3HD2 LEU 41 9.986 2.889 -8.581
289 H CYS 42 HN CYN 42 5.600 -1.667 -8.909
290 HA CYS 42 HA CYN 42 6.509 -4.451 -8.605
291 1HB CYS 42 2HB CYN 42 5.684 -3.524 -6.400
292 2HB CYS 42 3HB CYN 42 4.107 -3.305 -7.183
293 H GLY 43 HN GLY 43 4.302 -5.749 -9.097
294 1HA GLY 43 2HA GLY 43 3.021 -4.603 -11.552
295 2HA GLY 43 3HA GLY 43 3.328 -6.329 -11.283
296 H VAL 44 HN VAL 44 0.784 -5.560 -11.802
297 HA VAL 44 HA VAL 44 -1.302 -5.326 -11.140
298 HB VAL 44 HB VAL 44 -0.737 -7.703 -10.634
299 1HG1 VAL 44 1HG1 VAL 44 -0.835 -6.867 -7.711
300 2HG1 VAL 44 2HG1 VAL 44 -1.079 -8.507 -8.309
301 3HG1 VAL 44 3HG1 VAL 44 0.460 -7.695 -8.586
302 1HG2 VAL 44 2HG2 VAL 44 -2.968 -6.958 -11.035
303 2HG2 VAL 44 3HG2 VAL 44 -2.957 -8.199 -9.775
304 3HG2 VAL 44 1HG2 VAL 44 -3.197 -6.497 -9.348
305 H GLY 45 HN GLY 45 -2.205 -5.436 -8.013
306 1HA GLY 45 2HA GLY 45 -1.241 -2.712 -7.367
307 2HA GLY 45 3HA GLY 45 -2.951 -2.898 -7.806
308 H LYS 46 HN LYS 46 -3.818 -2.479 -5.740
309 HA LYS 46 HA LYS 46 -2.809 -4.017 -3.438
310 1HB LYS 46 2HB LYS 46 -4.315 -2.935 -2.104
311 2HB LYS 46 3HB LYS 46 -3.629 -1.713 -3.160
312 1HG LYS 46 2HG LYS 46 -5.733 -1.837 -4.557
313 2HG LYS 46 3HG LYS 46 -6.419 -2.943 -3.351
314 1HD LYS 46 2HD LYS 46 -5.576 -0.101 -2.824
315 2HD LYS 46 3HD LYS 46 -7.215 -0.698 -3.031
316 1HE LYS 46 2HE LYS 46 -6.258 -2.396 -1.024
317 2HE LYS 46 3HE LYS 46 -5.465 -0.882 -0.664
318 1HZ LYS 46 1HNZ LYS 46 -7.809 0.115 -0.933
319 2HZ LYS 46 2HNZ LYS 46 -8.367 -1.408 -0.857
320 3HZ LYS 46 3HNZ LYS 46 -7.492 -0.755 0.421
321 H ASP 47 HN ASP 47 -3.262 -6.135 -3.394
322 HA ASP 47 HA ASP 47 -6.029 -7.072 -3.637
323 1HB ASP 47 2HB ASP 47 -5.242 -8.855 -5.331
324 2HB ASP 47 3HB ASP 47 -5.618 -7.230 -5.914
325 H GLN 48 HN GLN 48 -2.746 -8.485 -3.765
326 HA GLN 48 HA GLN 48 -3.405 -10.149 -1.394
327 1HB GLN 48 2HB GLN 48 -2.521 -10.896 -3.746
328 2HB GLN 48 3HB GLN 48 -0.952 -10.389 -3.157
329 1HG GLN 48 2HG GLN 48 -0.740 -12.352 -2.089
330 2HG GLN 48 3HG GLN 48 -2.145 -12.018 -1.081
331 1HE2 GLN 48 2HNE GLN 48 -4.392 -13.829 -3.356
332 2HE2 GLN 48 1HNE GLN 48 -4.353 -12.331 -2.440
333 H PHE 49 HN PHE 49 -3.067 -8.815 0.435
334 HA PHE 49 HA PHE 49 -0.287 -7.973 0.933
335 1HB PHE 49 2HB PHE 49 -1.213 -5.812 1.912
336 2HB PHE 49 3HB PHE 49 -1.183 -5.903 0.164
337 HD1 PHE 49 HD2 PHE 49 -3.280 -6.379 -1.139
338 HD2 PHE 49 HD1 PHE 49 -3.319 -5.222 2.977
339 HE1 PHE 49 HE2 PHE 49 -5.743 -6.023 -1.246
340 HE2 PHE 49 HE1 PHE 49 -5.766 -5.046 2.947
341 HZ PHE 49 HZ PHE 49 -6.998 -5.414 0.809
342 H GLU 50 HN GLU 50 0.344 -8.304 3.053
343 HA GLU 50 HA GLU 50 -1.681 -9.477 4.941
344 1HB GLU 50 2HB GLU 50 1.273 -10.058 4.451
345 2HB GLU 50 3HB GLU 50 0.520 -10.357 6.012
346 1HG GLU 50 2HG GLU 50 -1.250 -11.721 4.742
347 2HG GLU 50 3HG GLU 50 -0.192 -11.606 3.326
348 H GLU 51 HN GLU 51 -1.338 -8.898 7.285
349 HA GLU 51 HA GLU 51 -0.753 -6.072 7.496
350 1HB GLU 51 2HB GLU 51 -2.763 -7.037 8.482
351 2HB GLU 51 3HB GLU 51 -1.806 -8.211 9.402
352 1HG GLU 51 2HG GLU 51 -0.869 -6.642 10.741
353 2HG GLU 51 3HG GLU 51 -1.313 -5.241 9.732
354 H VAL 52 HN VAL 52 0.913 -5.179 8.727
355 HA VAL 52 HA VAL 52 3.161 -6.924 9.578
356 HB VAL 52 HB VAL 52 2.909 -4.175 8.308
357 1HG1 VAL 52 1HG1 VAL 52 5.343 -5.365 9.664
358 2HG1 VAL 52 2HG1 VAL 52 5.344 -3.918 8.622
359 3HG1 VAL 52 3HG1 VAL 52 4.445 -3.897 10.146
360 1HG2 VAL 52 2HG2 VAL 52 3.051 -6.184 6.853
361 2HG2 VAL 52 3HG2 VAL 52 4.334 -4.965 6.661
362 3HG2 VAL 52 1HG2 VAL 52 4.668 -6.492 7.525
363 H GLU 53 HN GLU 53 2.846 -7.178 11.746
364 HA GLU 53 HA GLU 53 1.464 -5.268 13.369
365 1HB GLU 53 2HB GLU 53 1.835 -6.891 15.077
366 2HB GLU 53 3HB GLU 53 1.085 -7.579 13.635
367 1HG GLU 53 2HG GLU 53 3.349 -8.566 13.018
368 2HG GLU 53 3HG GLU 53 3.985 -7.948 14.539
369 H GLU 54 HN GLU 54 3.292 -3.747 12.548
370 HA GLU 54 HA GLU 54 4.732 -2.934 14.921
371 1HB GLU 54 2HB GLU 54 6.980 -2.793 13.826
372 2HB GLU 54 3HB GLU 54 6.463 -4.443 14.187
373 1HG GLU 54 2HG GLU 54 5.874 -4.850 11.877
374 2HG GLU 54 3HG GLU 54 6.182 -3.148 11.450
No H/Q in entry = 374
Start of MODEL 5
1 1H MET 1 1HN MET 1 -5.791 -0.727 9.422
2 2H MET 1 2HN MET 1 -6.674 0.703 9.343
3 3H MET 1 3HN MET 1 -5.548 0.370 8.259
4 HA MET 1 HA MET 1 -5.139 0.933 11.137
5 1HB MET 1 2HB MET 1 -3.256 2.472 10.146
6 2HB MET 1 3HB MET 1 -4.065 2.204 8.607
7 1HG MET 1 2HG MET 1 -6.143 3.039 9.704
8 2HG MET 1 3HG MET 1 -5.233 3.410 11.158
9 1HE MET 1 3HE MET 1 -3.545 5.370 11.444
10 2HE MET 1 1HE MET 1 -2.506 4.745 10.143
11 3HE MET 1 2HE MET 1 -3.024 6.440 10.130
12 H LYS 2 HN LYS 2 -2.546 1.049 11.335
13 HA LYS 2 HA LYS 2 -0.565 0.008 11.507
14 1HB LYS 2 2HB LYS 2 -1.946 -2.570 10.811
15 2HB LYS 2 3HB LYS 2 -0.461 -2.356 11.742
16 1HG LYS 2 2HG LYS 2 -1.744 -1.268 13.575
17 2HG LYS 2 3HG LYS 2 -3.258 -1.535 12.655
18 1HD LYS 2 2HD LYS 2 -2.605 -3.905 12.366
19 2HD LYS 2 3HD LYS 2 -1.303 -3.702 13.533
20 1HE LYS 2 2HE LYS 2 -4.304 -3.284 14.001
21 2HE LYS 2 3HE LYS 2 -3.433 -4.775 14.369
22 1HZ LYS 2 1HNZ LYS 2 -2.848 -2.166 15.611
23 2HZ LYS 2 2HNZ LYS 2 -3.661 -3.410 16.327
24 3HZ LYS 2 3HNZ LYS 2 -2.073 -3.583 15.924
25 H LYS 3 HN LYS 3 1.021 -1.521 10.353
26 HA LYS 3 HA LYS 3 1.147 -0.568 7.589
27 1HB LYS 3 2HB LYS 3 3.088 -2.115 9.342
28 2HB LYS 3 3HB LYS 3 3.426 -1.447 7.741
29 1HG LYS 3 2HG LYS 3 2.850 0.837 8.569
30 2HG LYS 3 3HG LYS 3 2.497 0.199 10.151
31 1HD LYS 3 2HD LYS 3 4.626 1.188 10.310
32 2HD LYS 3 3HD LYS 3 4.784 -0.553 10.479
33 1HE LYS 3 2HE LYS 3 5.163 0.000 7.687
34 2HE LYS 3 3HE LYS 3 6.005 1.289 8.551
35 1HZ LYS 3 1HNZ LYS 3 7.131 -0.427 9.851
36 2HZ LYS 3 2HNZ LYS 3 6.422 -1.591 8.991
37 3HZ LYS 3 3HNZ LYS 3 7.474 -0.559 8.245
38 H TYR 4 HN TYR 4 1.910 -2.116 5.952
39 HA TYR 4 HA TYR 4 0.852 -4.867 6.260
40 1HB TYR 4 2HB TYR 4 -0.164 -2.805 4.308
41 2HB TYR 4 3HB TYR 4 -0.298 -4.514 3.945
42 HD1 TYR 4 HD2 TYR 4 -1.594 -1.827 6.138
43 HD2 TYR 4 HD1 TYR 4 -1.872 -5.941 4.977
44 HE1 TYR 4 HE2 TYR 4 -3.707 -2.036 7.386
45 HE2 TYR 4 HE1 TYR 4 -3.805 -6.254 6.513
46 HH TYR 4 HOH TYR 4 -5.210 -5.166 8.076
47 H THR 5 HN THR 5 1.746 -6.383 4.735
48 HA THR 5 HA THR 5 4.198 -5.599 3.374
49 HB THR 5 HB THR 5 4.227 -7.954 2.698
50 HG1 THR 5 HG1 THR 5 2.464 -9.129 2.746
51 1HG2 THR 5 2HG2 THR 5 4.845 -7.388 5.087
52 2HG2 THR 5 3HG2 THR 5 3.188 -7.828 5.563
53 3HG2 THR 5 1HG2 THR 5 4.250 -9.044 4.846
54 H CYS 6 HN CYN 6 4.555 -6.211 1.097
55 HA CYS 6 HA CYN 6 2.416 -5.557 -0.825
56 1HB CYS 6 2HB CYN 6 4.672 -4.775 -1.215
57 2HB CYS 6 3HB CYN 6 5.302 -6.436 -1.092
58 H THR 7 HN THR 7 4.544 -8.332 0.061
59 HA THR 7 HA THR 7 4.441 -10.526 -0.332
60 HB THR 7 HB THR 7 1.439 -10.085 -0.126
61 HG1 THR 7 HG1 THR 7 2.443 -11.143 2.023
62 1HG2 THR 7 2HG2 THR 7 3.048 -12.664 0.054
63 2HG2 THR 7 3HG2 THR 7 1.422 -12.453 0.733
64 3HG2 THR 7 1HG2 THR 7 1.652 -12.323 -0.999
65 H VAL 8 HN VAL 8 4.391 -8.519 -2.626
66 HA VAL 8 HA VAL 8 4.293 -10.691 -4.667
67 HB VAL 8 HB VAL 8 3.667 -7.753 -5.151
68 1HG1 VAL 8 3HG1 VAL 8 3.829 -10.105 -7.070
69 2HG1 VAL 8 1HG1 VAL 8 3.218 -8.480 -7.458
70 3HG1 VAL 8 2HG1 VAL 8 4.918 -8.698 -7.027
71 1HG2 VAL 8 3HG2 VAL 8 1.926 -10.250 -5.302
72 2HG2 VAL 8 1HG2 VAL 8 1.769 -8.940 -4.113
73 3HG2 VAL 8 2HG2 VAL 8 1.447 -8.619 -5.818
74 H CYS 9 HN CYN 9 5.781 -7.393 -4.222
75 HA CYS 9 HA CYN 9 8.376 -8.570 -5.053
76 1HB CYS 9 2HB CYN 9 9.125 -6.283 -5.243
77 2HB CYS 9 3HB CYN 9 7.695 -6.618 -6.230
78 H GLY 10 HN GLY 10 7.246 -6.356 -2.495
79 1HA GLY 10 2HA GLY 10 7.834 -7.357 -0.116
80 2HA GLY 10 3HA GLY 10 9.488 -7.213 -0.728
81 H TYR 11 HN TYR 11 6.674 -5.013 -1.163
82 HA TYR 11 HA TYR 11 8.244 -2.786 0.017
83 1HB TYR 11 2HB TYR 11 7.090 -3.053 -2.475
84 2HB TYR 11 3HB TYR 11 5.828 -2.201 -1.626
85 HD1 TYR 11 HD1 TYR 11 6.583 -0.045 -0.290
86 HD2 TYR 11 HD2 TYR 11 8.902 -1.944 -3.392
87 HE1 TYR 11 HE1 TYR 11 7.744 2.094 -0.734
88 HE2 TYR 11 HE2 TYR 11 10.139 0.158 -3.753
89 HH TYR 11 HOH TYR 11 9.232 3.200 -2.104
90 H ILE 12 HN ILE 12 7.675 -2.663 2.199
91 HA ILE 12 HA ILE 12 4.972 -3.295 3.037
92 HB ILE 12 HB ILE 12 7.450 -2.361 4.448
93 1HG1 ILE 12 2HG1 ILE 12 5.477 -4.612 5.012
94 2HG1 ILE 12 3HG1 ILE 12 6.776 -4.786 3.830
95 1HG2 ILE 12 3HG2 ILE 12 4.640 -2.334 5.652
96 2HG2 ILE 12 1HG2 ILE 12 6.132 -2.294 6.599
97 3HG2 ILE 12 2HG2 ILE 12 5.752 -0.956 5.529
98 1HD1 ILE 12 2HD1 ILE 12 7.203 -4.238 6.795
99 2HD1 ILE 12 3HD1 ILE 12 7.401 -5.782 5.957
100 3HD1 ILE 12 1HD1 ILE 12 8.469 -4.423 5.557
101 H TYR 13 HN TYR 13 3.270 -2.044 3.057
102 HA TYR 13 HA TYR 13 3.387 0.827 2.374
103 1HB TYR 13 2HB TYR 13 1.627 -0.595 1.409
104 2HB TYR 13 3HB TYR 13 1.142 -1.098 3.034
105 HD1 TYR 13 HD1 TYR 13 -0.177 0.361 4.479
106 HD2 TYR 13 HD2 TYR 13 0.795 1.482 0.484
107 HE1 TYR 13 HE1 TYR 13 -1.676 2.327 4.648
108 HE2 TYR 13 HE2 TYR 13 -0.259 3.729 0.845
109 HH TYR 13 HOH TYR 13 -2.363 4.408 3.687
110 H ASN 14 HN ASN 14 3.080 2.441 3.898
111 HA ASN 14 HA ASN 14 2.440 1.677 6.699
112 1HB ASN 14 2HB ASN 14 4.865 2.272 6.439
113 2HB ASN 14 3HB ASN 14 4.383 3.842 5.812
114 1HD2 ASN 14 2HND ASN 14 5.075 4.316 9.411
115 2HD2 ASN 14 1HND ASN 14 5.765 4.456 7.804
116 HA PRO 15 HA PRO 15 -0.777 4.435 5.443
117 1HB PRO 15 2HB PRO 15 -2.328 4.406 7.764
118 2HB PRO 15 3HB PRO 15 -2.410 3.163 6.513
119 1HG PRO 15 2HG PRO 15 -0.972 3.062 9.139
120 2HG PRO 15 3HG PRO 15 -1.770 1.755 8.219
121 1HD PRO 15 2HD PRO 15 0.933 2.190 8.361
122 2HD PRO 15 3HD PRO 15 0.200 1.280 7.042
123 H GLU 16 HN GLU 16 0.899 4.815 8.583
124 HA GLU 16 HA GLU 16 -0.024 7.464 9.039
125 1HB GLU 16 2HB GLU 16 2.518 6.037 9.898
126 2HB GLU 16 3HB GLU 16 1.948 7.598 10.477
127 1HG GLU 16 2HG GLU 16 -0.308 6.309 11.007
128 2HG GLU 16 3HG GLU 16 0.690 4.850 10.881
129 H ASP 17 HN ASP 17 2.395 6.130 6.921
130 HA ASP 17 HA ASP 17 3.575 8.797 6.263
131 1HB ASP 17 2HB ASP 17 4.160 5.974 5.341
132 2HB ASP 17 3HB ASP 17 5.015 7.406 4.765
133 H GLY 18 HN GLY 18 1.379 6.296 5.050
134 1HA GLY 18 2HA GLY 18 0.073 6.140 3.262
135 2HA GLY 18 3HA GLY 18 0.286 7.866 2.915
136 H ASP 19 HN ASP 19 0.432 7.289 0.698
137 HA ASP 19 HA ASP 19 3.185 6.866 -0.183
138 1HB ASP 19 2HB ASP 19 1.012 4.893 -0.701
139 2HB ASP 19 3HB ASP 19 1.775 5.452 -2.170
140 HA PRO 20 HA PRO 20 0.386 10.291 -1.705
141 1HB PRO 20 2HB PRO 20 2.086 12.427 -1.234
142 2HB PRO 20 3HB PRO 20 0.874 11.797 -0.076
143 1HG PRO 20 2HG PRO 20 3.836 11.218 -0.193
144 2HG PRO 20 3HG PRO 20 2.833 11.547 1.251
145 1HD PRO 20 2HD PRO 20 3.536 9.020 0.551
146 2HD PRO 20 3HD PRO 20 1.919 9.364 1.215
147 H ASP 21 HN ASP 21 3.802 9.495 -2.327
148 HA ASP 21 HA ASP 21 4.181 11.064 -4.648
149 1HB ASP 21 2HB ASP 21 5.362 8.429 -3.613
150 2HB ASP 21 3HB ASP 21 5.953 9.275 -5.038
151 H ASN 22 HN ASN 22 2.481 8.096 -3.979
152 HA ASN 22 HA ASN 22 2.159 7.402 -6.849
153 1HB ASN 22 2HB ASN 22 1.388 5.855 -4.354
154 2HB ASN 22 3HB ASN 22 1.410 5.240 -6.004
155 1HD2 ASN 22 2HND ASN 22 4.837 5.390 -3.765
156 2HD2 ASN 22 1HND ASN 22 3.390 6.149 -3.208
157 H GLY 23 HN GLY 23 0.507 8.609 -4.083
158 1HA GLY 23 2HA GLY 23 -1.260 10.177 -4.844
159 2HA GLY 23 3HA GLY 23 -2.059 8.817 -5.641
160 H VAL 24 HN VAL 24 -0.605 8.123 -2.528
161 HA VAL 24 HA VAL 24 -3.330 7.960 -1.285
162 HB VAL 24 HB VAL 24 -0.817 6.304 -1.024
163 1HG1 VAL 24 2HG1 VAL 24 -3.423 6.164 0.508
164 2HG1 VAL 24 3HG1 VAL 24 -2.239 4.846 0.441
165 3HG1 VAL 24 1HG1 VAL 24 -1.783 6.394 1.174
166 1HG2 VAL 24 3HG2 VAL 24 -2.194 5.845 -3.045
167 2HG2 VAL 24 1HG2 VAL 24 -2.233 4.491 -1.902
168 3HG2 VAL 24 2HG2 VAL 24 -3.617 5.600 -2.015
169 H ASN 25 HN ASN 25 -3.573 9.615 0.109
170 HA ASN 25 HA ASN 25 -1.386 11.182 1.073
171 1HB ASN 25 2HB ASN 25 -4.360 11.019 1.681
172 2HB ASN 25 3HB ASN 25 -3.316 11.987 2.711
173 1HD2 ASN 25 2HND ASN 25 -3.798 13.203 -1.201
174 2HD2 ASN 25 1HND ASN 25 -4.070 11.521 -0.813
175 HA PRO 26 HA PRO 26 -0.268 9.009 4.808
176 1HB PRO 26 2HB PRO 26 0.089 11.086 6.627
177 2HB PRO 26 3HB PRO 26 1.289 10.499 5.459
178 1HG PRO 26 2HG PRO 26 -0.511 12.897 5.251
179 2HG PRO 26 3HG PRO 26 1.184 12.693 4.694
180 1HD PRO 26 2HD PRO 26 -1.015 12.581 3.019
181 2HD PRO 26 3HD PRO 26 0.497 11.681 2.701
182 H GLY 27 HN GLY 27 -1.191 8.264 6.625
183 1HA GLY 27 2HA GLY 27 -2.811 7.790 8.161
184 2HA GLY 27 3HA GLY 27 -3.593 9.352 7.858
185 H THR 28 HN THR 28 -2.984 7.246 4.973
186 HA THR 28 HA THR 28 -5.911 6.888 4.854
187 HB THR 28 HB THR 28 -3.661 6.318 2.881
188 HG1 THR 28 HG1 THR 28 -4.014 8.503 3.041
189 1HG2 THR 28 3HG2 THR 28 -6.690 6.150 2.684
190 2HG2 THR 28 1HG2 THR 28 -5.600 6.100 1.278
191 3HG2 THR 28 2HG2 THR 28 -5.507 4.829 2.515
192 H ASP 29 HN ASP 29 -6.682 5.140 5.737
193 HA ASP 29 HA ASP 29 -5.179 2.883 6.618
194 1HB ASP 29 2HB ASP 29 -7.573 3.641 7.249
195 2HB ASP 29 3HB ASP 29 -8.094 2.848 5.779
196 H PHE 30 HN PHE 30 -4.694 1.030 5.566
197 HA PHE 30 HA PHE 30 -4.399 0.828 2.775
198 1HB PHE 30 2HB PHE 30 -3.532 -0.625 4.785
199 2HB PHE 30 3HB PHE 30 -4.961 -1.610 4.484
200 HD1 PHE 30 HD1 PHE 30 -5.273 -2.271 1.833
201 HD2 PHE 30 HD2 PHE 30 -1.585 -1.183 3.754
202 HE1 PHE 30 HE1 PHE 30 -3.997 -3.168 -0.082
203 HE2 PHE 30 HE2 PHE 30 -0.326 -2.258 1.886
204 HZ PHE 30 HZ PHE 30 -1.531 -3.175 0.000
205 H LYS 31 HN LYS 31 -7.261 0.164 4.872
206 HA LYS 31 HA LYS 31 -8.569 -1.333 2.734
207 1HB LYS 31 2HB LYS 31 -10.526 -1.357 4.013
208 2HB LYS 31 3HB LYS 31 -9.138 -1.676 5.076
209 1HG LYS 31 2HG LYS 31 -9.136 0.770 5.660
210 2HG LYS 31 3HG LYS 31 -10.607 0.967 4.712
211 1HD LYS 31 2HD LYS 31 -11.757 -0.668 6.096
212 2HD LYS 31 3HD LYS 31 -10.287 -0.896 7.083
213 1HE LYS 31 2HE LYS 31 -10.336 1.380 7.895
214 2HE LYS 31 3HE LYS 31 -11.500 1.887 6.669
215 1HZ LYS 31 2HNZ LYS 31 -12.110 0.062 8.884
216 2HZ LYS 31 3HNZ LYS 31 -12.500 1.662 8.801
217 3HZ LYS 31 1HNZ LYS 31 -13.167 0.603 7.735
218 H ASP 32 HN ASP 32 -8.348 2.048 3.682
219 HA ASP 32 HA ASP 32 -10.559 2.961 2.038
220 1HB ASP 32 2HB ASP 32 -8.375 4.458 3.553
221 2HB ASP 32 3HB ASP 32 -9.777 5.195 2.782
222 H ILE 33 HN ILE 33 -7.119 2.266 1.500
223 HA ILE 33 HA ILE 33 -6.456 4.062 -0.459
224 HB ILE 33 HB ILE 33 -5.905 1.138 -0.198
225 1HG1 ILE 33 2HG1 ILE 33 -4.516 3.668 0.681
226 2HG1 ILE 33 3HG1 ILE 33 -5.135 2.444 1.717
227 1HG2 ILE 33 1HG2 ILE 33 -5.391 1.929 -2.472
228 2HG2 ILE 33 2HG2 ILE 33 -4.257 3.093 -1.720
229 3HG2 ILE 33 3HG2 ILE 33 -4.031 1.331 -1.529
230 1HD1 ILE 33 1HD1 ILE 33 -3.433 0.820 0.617
231 2HD1 ILE 33 2HD1 ILE 33 -2.651 2.306 0.005
232 3HD1 ILE 33 3HD1 ILE 33 -2.843 2.037 1.744
233 HA PRO 34 HA PRO 34 -9.571 2.924 -3.518
234 1HB PRO 34 2HB PRO 34 -8.221 3.976 -5.786
235 2HB PRO 34 3HB PRO 34 -9.395 4.801 -4.741
236 1HG PRO 34 2HG PRO 34 -6.483 5.208 -4.912
237 2HG PRO 34 3HG PRO 34 -7.690 6.178 -4.023
238 1HD PRO 34 2HD PRO 34 -5.841 4.186 -2.977
239 2HD PRO 34 3HD PRO 34 -6.916 5.256 -2.073
240 H ASP 35 HN ASP 35 -9.866 1.087 -4.818
241 HA ASP 35 HA ASP 35 -7.762 -0.834 -5.065
242 1HB ASP 35 2HB ASP 35 -10.685 -0.539 -5.746
243 2HB ASP 35 3HB ASP 35 -9.745 -1.691 -6.650
244 H ASP 36 HN ASP 36 -8.455 1.942 -6.902
245 HA ASP 36 HA ASP 36 -7.357 1.095 -9.418
246 1HB ASP 36 2HB ASP 36 -8.580 3.404 -8.330
247 2HB ASP 36 3HB ASP 36 -7.053 3.842 -9.107
248 H TRP 37 HN TRP 37 -5.996 1.837 -6.322
249 HA TRP 37 HA TRP 37 -3.485 2.955 -7.299
250 1HB TRP 37 2HB TRP 37 -4.411 3.585 -5.110
251 2HB TRP 37 3HB TRP 37 -4.369 1.900 -4.613
252 HD1 TRP 37 HD TRP 37 -1.876 4.749 -5.302
253 HE1 TRP 37 HNE TRP 37 0.230 4.281 -3.913
254 HE3 TRP 37 HE TRP 37 -3.033 0.091 -3.678
255 HZ2 TRP 37 HZ1 TRP 37 1.257 2.156 -2.226
256 HZ3 TRP 37 HZ2 TRP 37 -1.462 -1.182 -2.185
257 HH2 TRP 37 HH TRP 37 0.680 -0.148 -1.476
258 H VAL 38 HN VAL 38 -1.412 1.908 -6.986
259 HA VAL 38 HA VAL 38 -1.371 -1.045 -6.986
260 HB VAL 38 HB VAL 38 0.401 -0.639 -8.883
261 1HG1 VAL 38 1HG1 VAL 38 -1.625 -2.001 -9.146
262 2HG1 VAL 38 2HG1 VAL 38 -2.592 -0.542 -9.450
263 3HG1 VAL 38 3HG1 VAL 38 -1.332 -1.033 -10.602
264 1HG2 VAL 38 1HG2 VAL 38 0.223 1.867 -8.842
265 2HG2 VAL 38 2HG2 VAL 38 -0.051 1.141 -10.436
266 3HG2 VAL 38 3HG2 VAL 38 -1.428 1.719 -9.489
267 H CYS 39 HN CYN 39 0.834 -1.851 -6.696
268 HA CYS 39 HA CYN 39 1.973 -0.612 -4.402
269 1HB CYS 39 2HB CYN 39 1.828 -2.979 -4.590
270 2HB CYS 39 3HB CYN 39 2.730 -2.990 -6.109
271 HA PRO 40 HA PRO 40 4.816 2.063 -6.602
272 1HB PRO 40 2HB PRO 40 6.757 2.460 -4.654
273 2HB PRO 40 3HB PRO 40 5.171 3.272 -4.688
274 1HG PRO 40 2HG PRO 40 5.937 0.801 -3.156
275 2HG PRO 40 3HG PRO 40 5.057 2.241 -2.544
276 1HD PRO 40 2HD PRO 40 3.776 -0.012 -3.254
277 2HD PRO 40 3HD PRO 40 3.080 1.574 -3.709
278 H LEU 41 HN LEU 41 6.197 1.412 -8.132
279 HA LEU 41 HA LEU 41 7.906 0.429 -9.245
280 1HB LEU 41 2HB LEU 41 9.154 -0.198 -6.539
281 2HB LEU 41 3HB LEU 41 9.970 -0.065 -8.092
282 HG LEU 41 HG LEU 41 8.593 2.225 -6.612
283 1HD1 LEU 41 3HD1 LEU 41 11.536 1.547 -6.976
284 2HD1 LEU 41 1HD1 LEU 41 10.904 3.059 -6.284
285 3HD1 LEU 41 2HD1 LEU 41 10.607 1.523 -5.464
286 1HD2 LEU 41 3HD2 LEU 41 10.286 2.197 -9.164
287 2HD2 LEU 41 1HD2 LEU 41 8.554 2.596 -9.070
288 3HD2 LEU 41 2HD2 LEU 41 9.744 3.659 -8.312
289 H CYS 42 HN CYN 42 5.561 -1.139 -8.674
290 HA CYS 42 HA CYN 42 6.624 -3.850 -9.068
291 1HB CYS 42 2HB CYN 42 6.444 -3.541 -6.671
292 2HB CYS 42 3HB CYN 42 4.814 -2.895 -6.857
293 H GLY 43 HN GLY 43 4.697 -5.224 -9.736
294 1HA GLY 43 2HA GLY 43 2.872 -3.606 -11.506
295 2HA GLY 43 3HA GLY 43 3.673 -5.102 -11.989
296 H VAL 44 HN VAL 44 0.952 -3.762 -10.528
297 HA VAL 44 HA VAL 44 -1.019 -4.604 -9.838
298 HB VAL 44 HB VAL 44 0.135 -7.426 -9.774
299 1HG1 VAL 44 3HG1 VAL 44 -2.716 -6.403 -9.578
300 2HG1 VAL 44 1HG1 VAL 44 -2.215 -8.102 -9.703
301 3HG1 VAL 44 2HG1 VAL 44 -1.773 -7.162 -8.277
302 1HG2 VAL 44 1HG2 VAL 44 -1.592 -6.016 -11.867
303 2HG2 VAL 44 2HG2 VAL 44 0.087 -6.545 -12.106
304 3HG2 VAL 44 3HG2 VAL 44 -1.184 -7.744 -11.854
305 H GLY 45 HN GLY 45 -1.657 -4.152 -7.779
306 1HA GLY 45 2HA GLY 45 -0.354 -5.270 -5.458
307 2HA GLY 45 3HA GLY 45 -0.071 -3.524 -5.678
308 H LYS 46 HN LYS 46 -1.500 -4.156 -3.497
309 HA LYS 46 HA LYS 46 -3.470 -4.131 -2.397
310 1HB LYS 46 2HB LYS 46 -3.725 -1.956 -2.726
311 2HB LYS 46 3HB LYS 46 -3.914 -2.052 -4.487
312 1HG LYS 46 2HG LYS 46 -6.146 -2.472 -4.396
313 2HG LYS 46 3HG LYS 46 -6.102 -3.268 -2.822
314 1HD LYS 46 2HD LYS 46 -5.616 -0.295 -3.085
315 2HD LYS 46 3HD LYS 46 -7.230 -0.993 -3.029
316 1HE LYS 46 2HE LYS 46 -5.959 -2.327 -0.924
317 2HE LYS 46 3HE LYS 46 -5.310 -0.729 -0.828
318 1HZ LYS 46 1HNZ LYS 46 -7.736 0.035 -0.976
319 2HZ LYS 46 2HNZ LYS 46 -8.184 -1.521 -0.836
320 3HZ LYS 46 3HNZ LYS 46 -7.339 -0.765 0.397
321 H ASP 47 HN ASP 47 -3.403 -6.307 -2.892
322 HA ASP 47 HA ASP 47 -6.090 -7.198 -3.617
323 1HB ASP 47 2HB ASP 47 -5.156 -7.565 -5.775
324 2HB ASP 47 3HB ASP 47 -3.628 -8.175 -5.126
325 H GLN 48 HN GLN 48 -2.937 -8.780 -3.196
326 HA GLN 48 HA GLN 48 -3.898 -10.099 -0.698
327 1HB GLN 48 2HB GLN 48 -2.947 -11.140 -3.129
328 2HB GLN 48 3HB GLN 48 -1.539 -11.235 -2.076
329 1HG GLN 48 2HG GLN 48 -2.939 -12.463 -0.397
330 2HG GLN 48 3HG GLN 48 -4.335 -12.307 -1.483
331 1HE2 GLN 48 2HNE GLN 48 -1.253 -14.753 -2.779
332 2HE2 GLN 48 1HNE GLN 48 -0.859 -13.273 -1.921
333 H PHE 49 HN PHE 49 -3.191 -8.749 0.967
334 HA PHE 49 HA PHE 49 -0.289 -8.159 1.183
335 1HB PHE 49 2HB PHE 49 -0.984 -5.879 2.041
336 2HB PHE 49 3HB PHE 49 -1.067 -6.081 0.309
337 HD1 PHE 49 HD2 PHE 49 -3.326 -6.547 -0.793
338 HD2 PHE 49 HD1 PHE 49 -2.921 -5.056 3.192
339 HE1 PHE 49 HE2 PHE 49 -5.762 -6.040 -0.736
340 HE2 PHE 49 HE1 PHE 49 -5.365 -4.729 3.350
341 HZ PHE 49 HZ PHE 49 -6.798 -5.196 1.358
342 H GLU 50 HN GLU 50 0.438 -8.520 3.256
343 HA GLU 50 HA GLU 50 -1.504 -9.624 5.225
344 1HB GLU 50 2HB GLU 50 1.521 -9.787 4.862
345 2HB GLU 50 3HB GLU 50 0.706 -10.371 6.278
346 1HG GLU 50 2HG GLU 50 -0.500 -12.047 4.991
347 2HG GLU 50 3HG GLU 50 -0.091 -11.263 3.457
348 H GLU 51 HN GLU 51 -1.399 -8.843 7.496
349 HA GLU 51 HA GLU 51 -0.803 -6.001 7.677
350 1HB GLU 51 2HB GLU 51 -2.845 -6.917 8.651
351 2HB GLU 51 3HB GLU 51 -1.935 -8.149 9.541
352 1HG GLU 51 2HG GLU 51 -0.902 -6.562 10.894
353 2HG GLU 51 3HG GLU 51 -1.600 -5.168 10.039
354 H VAL 52 HN VAL 52 0.858 -5.070 8.855
355 HA VAL 52 HA VAL 52 3.062 -6.829 9.783
356 HB VAL 52 HB VAL 52 2.878 -4.067 8.533
357 1HG1 VAL 52 3HG1 VAL 52 5.226 -5.310 10.021
358 2HG1 VAL 52 1HG1 VAL 52 5.300 -3.838 9.012
359 3HG1 VAL 52 2HG1 VAL 52 4.296 -3.864 10.467
360 1HG2 VAL 52 2HG2 VAL 52 3.062 -5.930 6.996
361 2HG2 VAL 52 3HG2 VAL 52 4.496 -4.885 7.016
362 3HG2 VAL 52 1HG2 VAL 52 4.547 -6.479 7.819
363 H GLU 53 HN GLU 53 2.627 -7.147 11.901
364 HA GLU 53 HA GLU 53 1.327 -5.282 13.605
365 1HB GLU 53 2HB GLU 53 1.783 -6.964 15.277
366 2HB GLU 53 3HB GLU 53 0.989 -7.611 13.841
367 1HG GLU 53 2HG GLU 53 3.252 -8.537 13.105
368 2HG GLU 53 3HG GLU 53 3.924 -7.962 14.626
369 H GLU 54 HN GLU 54 3.044 -3.703 12.831
370 HA GLU 54 HA GLU 54 5.195 -3.340 14.890
371 1HB GLU 54 2HB GLU 54 4.270 -1.386 12.758
372 2HB GLU 54 3HB GLU 54 5.570 -1.159 13.930
373 1HG GLU 54 2HG GLU 54 6.274 -3.574 12.660
374 2HG GLU 54 3HG GLU 54 5.641 -2.556 11.361
No H/Q in entry = 374
Start of MODEL 6
1 1H MET 1 1HN MET 1 -1.337 3.510 12.593
2 2H MET 1 2HN MET 1 -2.078 4.349 11.489
3 3H MET 1 3HN MET 1 -2.878 4.026 12.893
4 HA MET 1 HA MET 1 -3.533 1.959 12.221
5 1HB MET 1 2HB MET 1 -2.791 3.410 9.682
6 2HB MET 1 3HB MET 1 -3.596 1.837 9.614
7 1HG MET 1 2HG MET 1 -5.598 2.715 10.308
8 2HG MET 1 3HG MET 1 -4.837 3.973 11.296
9 1HE MET 1 1HE MET 1 -7.410 4.472 9.479
10 2HE MET 1 2HE MET 1 -6.665 5.716 10.517
11 3HE MET 1 3HE MET 1 -6.999 6.067 8.805
12 H LYS 2 HN LYS 2 -2.906 -0.089 10.857
13 HA LYS 2 HA LYS 2 -0.112 -0.662 11.625
14 1HB LYS 2 2HB LYS 2 -2.460 -2.412 10.882
15 2HB LYS 2 3HB LYS 2 -0.841 -3.029 11.261
16 1HG LYS 2 2HG LYS 2 -1.851 -1.052 13.212
17 2HG LYS 2 3HG LYS 2 -2.849 -2.510 13.128
18 1HD LYS 2 2HD LYS 2 0.186 -2.638 13.369
19 2HD LYS 2 3HD LYS 2 -0.789 -2.267 14.792
20 1HE LYS 2 2HE LYS 2 -2.088 -4.415 14.420
21 2HE LYS 2 3HE LYS 2 -0.980 -4.785 13.091
22 1HZ LYS 2 3HNZ LYS 2 0.837 -4.494 14.760
23 2HZ LYS 2 1HNZ LYS 2 -0.289 -4.495 15.932
24 3HZ LYS 2 2HNZ LYS 2 -0.130 -5.836 14.978
25 H LYS 3 HN LYS 3 1.306 -1.711 10.240
26 HA LYS 3 HA LYS 3 1.288 -0.630 7.531
27 1HB LYS 3 2HB LYS 3 3.280 -2.376 9.009
28 2HB LYS 3 3HB LYS 3 3.527 -1.599 7.450
29 1HG LYS 3 2HG LYS 3 3.139 0.625 8.430
30 2HG LYS 3 3HG LYS 3 2.795 -0.075 9.991
31 1HD LYS 3 2HD LYS 3 4.983 0.628 10.287
32 2HD LYS 3 3HD LYS 3 5.047 -1.124 10.078
33 1HE LYS 3 2HE LYS 3 5.606 -0.647 7.603
34 2HE LYS 3 3HE LYS 3 5.845 1.040 8.081
35 1HZ LYS 3 1HNZ LYS 3 7.255 -1.270 9.248
36 2HZ LYS 3 2HNZ LYS 3 7.898 -0.273 8.104
37 3HZ LYS 3 3HNZ LYS 3 7.540 0.282 9.617
38 H TYR 4 HN TYR 4 1.988 -2.151 5.711
39 HA TYR 4 HA TYR 4 0.650 -4.796 5.927
40 1HB TYR 4 2HB TYR 4 -0.158 -2.589 4.013
41 2HB TYR 4 3HB TYR 4 -0.408 -4.273 3.625
42 HD1 TYR 4 HD2 TYR 4 -1.389 -1.600 6.023
43 HD2 TYR 4 HD1 TYR 4 -2.145 -5.520 4.495
44 HE1 TYR 4 HE2 TYR 4 -3.348 -1.795 7.543
45 HE2 TYR 4 HE1 TYR 4 -4.044 -5.797 6.112
46 HH TYR 4 HOH TYR 4 -5.010 -3.211 8.355
47 H THR 5 HN THR 5 1.497 -6.375 4.604
48 HA THR 5 HA THR 5 3.893 -5.518 3.020
49 HB THR 5 HB THR 5 3.959 -7.515 4.484
50 HG1 THR 5 HG1 THR 5 4.463 -8.061 1.756
51 1HG2 THR 5 3HG2 THR 5 1.701 -8.365 3.852
52 2HG2 THR 5 1HG2 THR 5 2.341 -8.884 2.286
53 3HG2 THR 5 2HG2 THR 5 2.982 -9.596 3.779
54 H CYS 6 HN CYN 6 4.015 -5.513 0.831
55 HA CYS 6 HA CYN 6 1.699 -6.094 -0.902
56 1HB CYS 6 2HB CYN 6 3.237 -4.304 -1.501
57 2HB CYS 6 3HB CYN 6 4.609 -5.405 -1.419
58 H THR 7 HN THR 7 2.409 -7.921 -2.685
59 HA THR 7 HA THR 7 2.514 -10.333 -1.102
60 HB THR 7 HB THR 7 2.450 -11.296 -3.535
61 HG1 THR 7 HG1 THR 7 1.808 -9.742 -5.038
62 1HG2 THR 7 3HG2 THR 7 0.488 -11.144 -2.003
63 2HG2 THR 7 1HG2 THR 7 0.239 -9.460 -2.507
64 3HG2 THR 7 2HG2 THR 7 0.045 -10.780 -3.683
65 H VAL 8 HN VAL 8 4.554 -9.916 -0.141
66 HA VAL 8 HA VAL 8 6.700 -10.475 0.282
67 HB VAL 8 HB VAL 8 6.831 -11.778 -2.483
68 1HG1 VAL 8 2HG1 VAL 8 8.850 -11.733 -0.213
69 2HG1 VAL 8 3HG1 VAL 8 8.925 -12.771 -1.653
70 3HG1 VAL 8 1HG1 VAL 8 9.057 -11.019 -1.828
71 1HG2 VAL 8 2HG2 VAL 8 6.639 -12.952 0.323
72 2HG2 VAL 8 3HG2 VAL 8 5.328 -12.937 -0.874
73 3HG2 VAL 8 1HG2 VAL 8 6.800 -13.864 -1.192
74 H CYS 9 HN CYN 9 6.701 -9.672 -3.190
75 HA CYS 9 HA CYN 9 7.942 -8.053 -4.339
76 1HB CYS 9 2HB CYN 9 5.674 -7.318 -3.790
77 2HB CYS 9 3HB CYN 9 6.279 -6.532 -2.324
78 H GLY 10 HN GLY 10 8.214 -5.444 -2.422
79 1HA GLY 10 2HA GLY 10 10.023 -6.104 -0.350
80 2HA GLY 10 3HA GLY 10 10.965 -5.523 -1.744
81 H TYR 11 HN TYR 11 7.669 -4.576 -0.674
82 HA TYR 11 HA TYR 11 8.563 -1.822 -0.082
83 1HB TYR 11 2HB TYR 11 7.946 -2.511 -2.662
84 2HB TYR 11 3HB TYR 11 6.370 -2.011 -2.119
85 HD1 TYR 11 HD1 TYR 11 6.633 0.315 -0.514
86 HD2 TYR 11 HD2 TYR 11 9.122 -0.904 -3.823
87 HE1 TYR 11 HE1 TYR 11 7.404 2.656 -0.811
88 HE2 TYR 11 HE2 TYR 11 9.878 1.425 -4.116
89 HH TYR 11 HOH TYR 11 9.731 3.595 -3.357
90 H ILE 12 HN ILE 12 7.895 -2.666 2.030
91 HA ILE 12 HA ILE 12 5.169 -3.302 2.613
92 HB ILE 12 HB ILE 12 7.571 -2.431 4.201
93 1HG1 ILE 12 2HG1 ILE 12 5.595 -4.744 4.470
94 2HG1 ILE 12 3HG1 ILE 12 7.033 -4.794 3.448
95 1HG2 ILE 12 1HG2 ILE 12 4.754 -2.475 5.368
96 2HG2 ILE 12 2HG2 ILE 12 6.253 -2.446 6.310
97 3HG2 ILE 12 3HG2 ILE 12 5.849 -1.074 5.301
98 1HD1 ILE 12 2HD1 ILE 12 8.467 -4.441 5.448
99 2HD1 ILE 12 3HD1 ILE 12 7.017 -4.524 6.481
100 3HD1 ILE 12 1HD1 ILE 12 7.495 -5.925 5.517
101 H TYR 13 HN TYR 13 3.414 -2.100 2.927
102 HA TYR 13 HA TYR 13 3.490 0.779 2.273
103 1HB TYR 13 2HB TYR 13 1.769 -0.633 1.286
104 2HB TYR 13 3HB TYR 13 1.254 -1.177 2.886
105 HD1 TYR 13 HD2 TYR 13 0.049 0.381 4.432
106 HD2 TYR 13 HD1 TYR 13 0.808 1.343 0.339
107 HE1 TYR 13 HE2 TYR 13 -1.497 2.304 4.552
108 HE2 TYR 13 HE1 TYR 13 -0.159 3.619 0.688
109 HH TYR 13 HOH TYR 13 -2.219 4.323 3.574
110 H ASN 14 HN ASN 14 3.188 2.366 3.798
111 HA ASN 14 HA ASN 14 2.603 1.583 6.608
112 1HB ASN 14 2HB ASN 14 5.021 2.208 6.237
113 2HB ASN 14 3HB ASN 14 4.488 3.791 5.688
114 1HD2 ASN 14 2HND ASN 14 5.299 4.149 9.271
115 2HD2 ASN 14 1HND ASN 14 5.934 4.347 7.641
116 HA PRO 15 HA PRO 15 -0.657 4.336 5.354
117 1HB PRO 15 2HB PRO 15 -2.202 4.263 7.663
118 2HB PRO 15 3HB PRO 15 -2.255 2.972 6.460
119 1HG PRO 15 2HG PRO 15 -0.746 3.001 9.053
120 2HG PRO 15 3HG PRO 15 -1.580 1.647 8.225
121 1HD PRO 15 2HD PRO 15 1.123 2.133 8.285
122 2HD PRO 15 3HD PRO 15 0.394 1.171 7.016
123 H GLU 16 HN GLU 16 1.086 4.596 8.406
124 HA GLU 16 HA GLU 16 0.116 7.197 9.039
125 1HB GLU 16 2HB GLU 16 2.645 5.725 9.865
126 2HB GLU 16 3HB GLU 16 1.929 7.134 10.623
127 1HG GLU 16 2HG GLU 16 -0.288 5.525 10.563
128 2HG GLU 16 3HG GLU 16 0.936 4.245 10.488
129 H ASP 17 HN ASP 17 2.516 6.012 6.886
130 HA ASP 17 HA ASP 17 3.678 8.704 6.279
131 1HB ASP 17 2HB ASP 17 4.208 5.940 5.139
132 2HB ASP 17 3HB ASP 17 5.009 7.415 4.628
133 H GLY 18 HN GLY 18 1.446 6.229 5.086
134 1HA GLY 18 2HA GLY 18 -0.064 6.221 3.395
135 2HA GLY 18 3HA GLY 18 0.290 7.913 3.013
136 H ASP 19 HN ASP 19 0.461 7.489 0.813
137 HA ASP 19 HA ASP 19 3.140 6.811 -0.018
138 1HB ASP 19 2HB ASP 19 2.240 4.589 -0.117
139 2HB ASP 19 3HB ASP 19 0.791 5.114 -0.979
140 HA PRO 20 HA PRO 20 0.413 10.276 -1.544
141 1HB PRO 20 2HB PRO 20 2.148 12.393 -1.230
142 2HB PRO 20 3HB PRO 20 1.094 11.737 0.060
143 1HG PRO 20 2HG PRO 20 4.010 11.100 -0.457
144 2HG PRO 20 3HG PRO 20 3.238 11.516 1.103
145 1HD PRO 20 2HD PRO 20 3.719 8.950 0.442
146 2HD PRO 20 3HD PRO 20 2.175 9.394 1.231
147 H ASP 21 HN ASP 21 3.764 9.405 -2.523
148 HA ASP 21 HA ASP 21 3.931 11.036 -4.797
149 1HB ASP 21 2HB ASP 21 5.157 8.324 -4.099
150 2HB ASP 21 3HB ASP 21 5.716 9.418 -5.369
151 H ASN 22 HN ASN 22 2.178 8.101 -4.082
152 HA ASN 22 HA ASN 22 1.405 7.710 -6.946
153 1HB ASN 22 2HB ASN 22 1.243 5.811 -4.604
154 2HB ASN 22 3HB ASN 22 0.903 5.417 -6.286
155 1HD2 ASN 22 2HND ASN 22 4.801 5.682 -5.006
156 2HD2 ASN 22 1HND ASN 22 3.476 6.188 -3.969
157 H GLY 23 HN GLY 23 0.375 9.608 -4.635
158 1HA GLY 23 2HA GLY 23 -1.628 10.700 -4.725
159 2HA GLY 23 3HA GLY 23 -2.426 9.305 -5.456
160 H VAL 24 HN VAL 24 -0.691 8.308 -2.637
161 HA VAL 24 HA VAL 24 -3.302 8.100 -1.185
162 HB VAL 24 HB VAL 24 -0.738 6.558 -1.192
163 1HG1 VAL 24 2HG1 VAL 24 -3.095 6.124 0.610
164 2HG1 VAL 24 3HG1 VAL 24 -1.817 4.940 0.235
165 3HG1 VAL 24 1HG1 VAL 24 -1.385 6.445 1.047
166 1HG2 VAL 24 1HG2 VAL 24 -2.317 6.143 -3.101
167 2HG2 VAL 24 2HG2 VAL 24 -2.185 4.729 -2.036
168 3HG2 VAL 24 3HG2 VAL 24 -3.604 5.788 -1.932
169 H ASN 25 HN ASN 25 -3.571 9.672 0.257
170 HA ASN 25 HA ASN 25 -1.421 11.287 1.262
171 1HB ASN 25 2HB ASN 25 -4.385 11.015 1.884
172 2HB ASN 25 3HB ASN 25 -3.350 12.008 2.898
173 1HD2 ASN 25 2HND ASN 25 -3.841 13.255 -1.012
174 2HD2 ASN 25 1HND ASN 25 -3.866 11.537 -0.697
175 HA PRO 26 HA PRO 26 -0.270 8.945 4.922
176 1HB PRO 26 2HB PRO 26 0.042 10.984 6.807
177 2HB PRO 26 3HB PRO 26 1.267 10.413 5.658
178 1HG PRO 26 2HG PRO 26 -0.526 12.816 5.449
179 2HG PRO 26 3HG PRO 26 1.185 12.629 4.938
180 1HD PRO 26 2HD PRO 26 -0.945 12.558 3.188
181 2HD PRO 26 3HD PRO 26 0.546 11.609 2.914
182 H GLY 27 HN GLY 27 -1.195 8.114 6.710
183 1HA GLY 27 2HA GLY 27 -2.773 7.630 8.279
184 2HA GLY 27 3HA GLY 27 -3.606 9.168 7.968
185 H THR 28 HN THR 28 -2.929 7.026 5.120
186 HA THR 28 HA THR 28 -5.847 6.542 5.020
187 HB THR 28 HB THR 28 -3.609 6.224 2.967
188 HG1 THR 28 HG1 THR 28 -4.020 8.367 3.169
189 1HG2 THR 28 3HG2 THR 28 -6.626 5.943 2.788
190 2HG2 THR 28 1HG2 THR 28 -5.519 5.958 1.389
191 3HG2 THR 28 2HG2 THR 28 -5.407 4.660 2.596
192 H ASP 29 HN ASP 29 -6.424 4.755 5.915
193 HA ASP 29 HA ASP 29 -4.765 2.514 6.582
194 1HB ASP 29 2HB ASP 29 -7.078 3.120 7.480
195 2HB ASP 29 3HB ASP 29 -7.734 2.493 5.993
196 H PHE 30 HN PHE 30 -4.324 0.760 5.391
197 HA PHE 30 HA PHE 30 -4.239 0.639 2.618
198 1HB PHE 30 2HB PHE 30 -3.345 -0.900 4.543
199 2HB PHE 30 3HB PHE 30 -4.790 -1.857 4.229
200 HD1 PHE 30 HD2 PHE 30 -5.160 -2.565 1.693
201 HD2 PHE 30 HD1 PHE 30 -1.483 -0.919 3.193
202 HE1 PHE 30 HE2 PHE 30 -3.955 -3.477 -0.246
203 HE2 PHE 30 HE1 PHE 30 -0.285 -1.770 1.179
204 HZ PHE 30 HZ PHE 30 -1.492 -3.090 -0.462
205 H LYS 31 HN LYS 31 -7.063 -0.123 4.754
206 HA LYS 31 HA LYS 31 -8.421 -1.529 2.596
207 1HB LYS 31 2HB LYS 31 -10.374 -1.512 3.924
208 2HB LYS 31 3HB LYS 31 -8.960 -1.914 4.920
209 1HG LYS 31 2HG LYS 31 -8.869 0.538 5.568
210 2HG LYS 31 3HG LYS 31 -10.396 0.774 4.744
211 1HD LYS 31 2HD LYS 31 -11.462 -0.883 6.190
212 2HD LYS 31 3HD LYS 31 -9.893 -1.233 6.969
213 1HE LYS 31 2HE LYS 31 -9.719 1.077 7.804
214 2HE LYS 31 3HE LYS 31 -11.192 1.548 6.943
215 1HZ LYS 31 2HNZ LYS 31 -11.080 -0.393 9.143
216 2HZ LYS 31 3HNZ LYS 31 -11.575 1.175 9.256
217 3HZ LYS 31 1HNZ LYS 31 -12.442 0.108 8.348
218 H ASP 32 HN ASP 32 -8.233 1.834 3.683
219 HA ASP 32 HA ASP 32 -10.395 2.785 1.984
220 1HB ASP 32 2HB ASP 32 -8.387 4.163 3.817
221 2HB ASP 32 3HB ASP 32 -9.632 5.004 2.888
222 H ILE 33 HN ILE 33 -6.994 2.053 1.416
223 HA ILE 33 HA ILE 33 -6.324 4.035 -0.391
224 HB ILE 33 HB ILE 33 -5.745 1.095 -0.332
225 1HG1 ILE 33 2HG1 ILE 33 -4.403 3.590 0.706
226 2HG1 ILE 33 3HG1 ILE 33 -5.005 2.309 1.682
227 1HG2 ILE 33 3HG2 ILE 33 -5.250 2.026 -2.523
228 2HG2 ILE 33 1HG2 ILE 33 -4.166 3.208 -1.720
229 3HG2 ILE 33 2HG2 ILE 33 -3.843 1.454 -1.633
230 1HD1 ILE 33 2HD1 ILE 33 -3.270 0.771 0.474
231 2HD1 ILE 33 3HD1 ILE 33 -2.508 2.310 -0.022
232 3HD1 ILE 33 1HD1 ILE 33 -2.706 1.911 1.692
233 HA PRO 34 HA PRO 34 -9.474 2.991 -3.478
234 1HB PRO 34 2HB PRO 34 -8.087 4.167 -5.682
235 2HB PRO 34 3HB PRO 34 -9.361 4.884 -4.677
236 1HG PRO 34 2HG PRO 34 -6.509 5.551 -4.731
237 2HG PRO 34 3HG PRO 34 -7.798 6.305 -3.752
238 1HD PRO 34 2HD PRO 34 -5.787 4.303 -2.924
239 2HD PRO 34 3HD PRO 34 -6.818 5.322 -1.922
240 H ASP 35 HN ASP 35 -9.650 1.132 -4.778
241 HA ASP 35 HA ASP 35 -7.382 -0.602 -5.081
242 1HB ASP 35 2HB ASP 35 -10.325 -0.571 -5.856
243 2HB ASP 35 3HB ASP 35 -9.216 -1.820 -6.333
244 H ASP 36 HN ASP 36 -8.226 2.090 -6.791
245 HA ASP 36 HA ASP 36 -7.175 1.381 -9.391
246 1HB ASP 36 2HB ASP 36 -8.521 3.572 -8.233
247 2HB ASP 36 3HB ASP 36 -6.995 4.131 -8.942
248 H TRP 37 HN TRP 37 -5.859 2.179 -6.283
249 HA TRP 37 HA TRP 37 -3.345 3.328 -7.170
250 1HB TRP 37 2HB TRP 37 -4.201 3.742 -4.908
251 2HB TRP 37 3HB TRP 37 -4.202 2.013 -4.592
252 HD1 TRP 37 HD TRP 37 -1.619 4.838 -4.927
253 HE1 TRP 37 HNE TRP 37 0.551 4.062 -3.659
254 HE3 TRP 37 HE TRP 37 -2.910 0.044 -3.947
255 HZ2 TRP 37 HZ1 TRP 37 1.516 1.715 -2.414
256 HZ3 TRP 37 HZ2 TRP 37 -1.351 -1.484 -2.695
257 HH2 TRP 37 HH TRP 37 0.854 -0.646 -1.935
258 H VAL 38 HN VAL 38 -1.267 2.250 -6.863
259 HA VAL 38 HA VAL 38 -1.282 -0.675 -7.316
260 HB VAL 38 HB VAL 38 -1.574 0.383 -9.494
261 1HG1 VAL 38 3HG1 VAL 38 -0.619 2.629 -9.077
262 2HG1 VAL 38 1HG1 VAL 38 1.007 1.924 -8.943
263 3HG1 VAL 38 2HG1 VAL 38 0.130 1.860 -10.481
264 1HG2 VAL 38 3HG2 VAL 38 -0.139 -1.635 -9.253
265 2HG2 VAL 38 1HG2 VAL 38 0.284 -0.620 -10.649
266 3HG2 VAL 38 2HG2 VAL 38 1.286 -0.560 -9.184
267 H CYS 39 HN CYN 39 0.636 -1.696 -6.736
268 HA CYS 39 HA CYN 39 2.200 -0.437 -4.755
269 1HB CYS 39 2HB CYN 39 1.738 -2.794 -4.745
270 2HB CYS 39 3HB CYN 39 2.616 -3.016 -6.269
271 HA PRO 40 HA PRO 40 4.904 1.708 -7.597
272 1HB PRO 40 2HB PRO 40 6.859 2.596 -5.870
273 2HB PRO 40 3HB PRO 40 5.207 3.278 -5.939
274 1HG PRO 40 2HG PRO 40 6.244 1.150 -4.053
275 2HG PRO 40 3HG PRO 40 5.344 2.638 -3.628
276 1HD PRO 40 2HD PRO 40 4.110 0.260 -3.869
277 2HD PRO 40 3HD PRO 40 3.318 1.736 -4.508
278 H LEU 41 HN LEU 41 6.478 1.026 -8.935
279 HA LEU 41 HA LEU 41 8.083 -0.238 -9.902
280 1HB LEU 41 2HB LEU 41 9.303 -0.503 -7.127
281 2HB LEU 41 3HB LEU 41 10.121 -0.687 -8.676
282 HG LEU 41 HG LEU 41 8.946 1.907 -7.578
283 1HD1 LEU 41 2HD1 LEU 41 10.992 1.136 -6.428
284 2HD1 LEU 41 3HD1 LEU 41 11.827 1.008 -7.990
285 3HD1 LEU 41 1HD1 LEU 41 11.297 2.593 -7.391
286 1HD2 LEU 41 3HD2 LEU 41 10.469 1.341 -10.166
287 2HD2 LEU 41 1HD2 LEU 41 8.797 1.935 -10.029
288 3HD2 LEU 41 2HD2 LEU 41 10.139 2.960 -9.514
289 H CYS 42 HN CYN 42 5.671 -1.574 -8.877
290 HA CYS 42 HA CYN 42 6.655 -4.393 -8.990
291 1HB CYS 42 2HB CYN 42 6.377 -3.918 -6.695
292 2HB CYS 42 3HB CYN 42 4.880 -3.030 -6.989
293 H GLY 43 HN GLY 43 3.538 -2.587 -8.671
294 1HA GLY 43 2HA GLY 43 1.878 -2.383 -10.279
295 2HA GLY 43 3HA GLY 43 2.802 -3.331 -11.412
296 H VAL 44 HN VAL 44 2.277 -4.886 -8.283
297 HA VAL 44 HA VAL 44 0.829 -6.932 -9.625
298 HB VAL 44 HB VAL 44 2.364 -7.350 -7.801
299 1HG1 VAL 44 2HG1 VAL 44 1.606 -5.498 -6.229
300 2HG1 VAL 44 3HG1 VAL 44 0.192 -6.503 -5.836
301 3HG1 VAL 44 1HG1 VAL 44 1.820 -7.093 -5.500
302 1HG2 VAL 44 3HG2 VAL 44 0.665 -9.013 -8.529
303 2HG2 VAL 44 1HG2 VAL 44 1.123 -9.189 -6.832
304 3HG2 VAL 44 2HG2 VAL 44 -0.428 -8.437 -7.251
305 H GLY 45 HN GLY 45 -0.400 -4.663 -7.060
306 1HA GLY 45 2HA GLY 45 -2.940 -4.114 -7.920
307 2HA GLY 45 3HA GLY 45 -3.063 -5.769 -7.276
308 H LYS 46 HN LYS 46 -4.360 -5.027 -5.475
309 HA LYS 46 HA LYS 46 -2.635 -4.419 -3.223
310 1HB LYS 46 2HB LYS 46 -3.713 -2.566 -2.317
311 2HB LYS 46 3HB LYS 46 -3.246 -2.179 -3.971
312 1HG LYS 46 2HG LYS 46 -5.402 -1.949 -4.717
313 2HG LYS 46 3HG LYS 46 -6.127 -3.004 -3.499
314 1HD LYS 46 2HD LYS 46 -4.822 -0.370 -2.777
315 2HD LYS 46 3HD LYS 46 -6.491 -0.455 -3.228
316 1HE LYS 46 2HE LYS 46 -5.973 -2.500 -1.206
317 2HE LYS 46 3HE LYS 46 -5.419 -0.955 -0.646
318 1HZ LYS 46 1HNZ LYS 46 -8.112 -1.436 -1.794
319 2HZ LYS 46 2HNZ LYS 46 -7.784 -1.309 -0.155
320 3HZ LYS 46 3HNZ LYS 46 -7.625 -0.025 -1.151
321 H ASP 47 HN ASP 47 -4.188 -6.530 -4.281
322 HA ASP 47 HA ASP 47 -6.608 -6.828 -2.804
323 1HB ASP 47 2HB ASP 47 -5.180 -8.787 -4.662
324 2HB ASP 47 3HB ASP 47 -6.902 -8.723 -4.269
325 H GLN 48 HN GLN 48 -3.564 -8.639 -2.966
326 HA GLN 48 HA GLN 48 -4.250 -10.332 -0.606
327 1HB GLN 48 2HB GLN 48 -2.085 -10.367 -2.728
328 2HB GLN 48 3HB GLN 48 -2.084 -11.477 -1.348
329 1HG GLN 48 2HG GLN 48 -4.503 -11.275 -3.191
330 2HG GLN 48 3HG GLN 48 -3.103 -12.252 -3.628
331 1HE2 GLN 48 2HNE GLN 48 -3.651 -14.765 -1.154
332 2HE2 GLN 48 1HNE GLN 48 -2.422 -14.005 -2.151
333 H PHE 49 HN PHE 49 -4.181 -8.167 0.606
334 HA PHE 49 HA PHE 49 -1.400 -7.291 1.259
335 1HB PHE 49 2HB PHE 49 -2.377 -5.279 2.158
336 2HB PHE 49 3HB PHE 49 -2.787 -5.525 0.475
337 HD1 PHE 49 HD2 PHE 49 -5.124 -6.419 -0.119
338 HD2 PHE 49 HD1 PHE 49 -4.149 -4.531 3.572
339 HE1 PHE 49 HE2 PHE 49 -7.523 -6.069 0.323
340 HE2 PHE 49 HE1 PHE 49 -6.532 -4.248 4.101
341 HZ PHE 49 HZ PHE 49 -8.249 -4.988 2.453
342 H GLU 50 HN GLU 50 -0.544 -8.224 3.050
343 HA GLU 50 HA GLU 50 -2.371 -9.209 5.207
344 1HB GLU 50 2HB GLU 50 0.449 -9.957 4.372
345 2HB GLU 50 3HB GLU 50 -0.132 -10.227 5.991
346 1HG GLU 50 2HG GLU 50 -2.054 -11.548 4.975
347 2HG GLU 50 3HG GLU 50 -1.349 -11.269 3.373
348 H GLU 51 HN GLU 51 -2.022 -8.429 7.325
349 HA GLU 51 HA GLU 51 -0.993 -5.739 7.456
350 1HB GLU 51 2HB GLU 51 -3.090 -6.345 8.571
351 2HB GLU 51 3HB GLU 51 -2.283 -7.653 9.462
352 1HG GLU 51 2HG GLU 51 -0.879 -6.110 10.568
353 2HG GLU 51 3HG GLU 51 -1.559 -4.711 9.702
354 H VAL 52 HN VAL 52 0.888 -5.135 8.383
355 HA VAL 52 HA VAL 52 2.959 -7.138 9.142
356 HB VAL 52 HB VAL 52 2.891 -4.283 8.113
357 1HG1 VAL 52 3HG1 VAL 52 5.215 -5.706 9.437
358 2HG1 VAL 52 1HG1 VAL 52 5.373 -4.269 8.390
359 3HG1 VAL 52 2HG1 VAL 52 4.439 -4.159 9.884
360 1HG2 VAL 52 1HG2 VAL 52 2.883 -6.221 6.534
361 2HG2 VAL 52 2HG2 VAL 52 4.214 -5.050 6.372
362 3HG2 VAL 52 3HG2 VAL 52 4.499 -6.640 7.136
363 H GLU 53 HN GLU 53 2.671 -7.624 11.255
364 HA GLU 53 HA GLU 53 1.394 -5.849 13.045
365 1HB GLU 53 2HB GLU 53 1.774 -7.640 14.628
366 2HB GLU 53 3HB GLU 53 0.952 -8.176 13.157
367 1HG GLU 53 2HG GLU 53 3.053 -9.217 12.361
368 2HG GLU 53 3HG GLU 53 3.922 -8.587 13.771
369 H GLU 54 HN GLU 54 3.307 -4.408 12.289
370 HA GLU 54 HA GLU 54 4.965 -3.952 14.720
371 1HB GLU 54 2HB GLU 54 4.694 -2.187 12.257
372 2HB GLU 54 3HB GLU 54 5.822 -2.011 13.608
373 1HG GLU 54 2HG GLU 54 6.760 -4.327 12.951
374 2HG GLU 54 3HG GLU 54 5.810 -4.234 11.506
No H/Q in entry = 374
Start of MODEL 7
1 1H MET 1 1HN MET 1 -5.448 -1.145 9.353
2 2H MET 1 2HN MET 1 -6.432 0.219 9.244
3 3H MET 1 3HN MET 1 -5.275 -0.035 8.174
4 HA MET 1 HA MET 1 -4.950 0.556 11.055
5 1HB MET 1 2HB MET 1 -3.280 2.352 10.167
6 2HB MET 1 3HB MET 1 -3.906 1.953 8.572
7 1HG MET 1 2HG MET 1 -6.052 2.586 9.276
8 2HG MET 1 3HG MET 1 -5.624 2.775 10.960
9 1HE MET 1 3HE MET 1 -3.326 4.502 11.434
10 2HE MET 1 1HE MET 1 -3.972 6.151 11.264
11 3HE MET 1 2HE MET 1 -4.951 4.897 12.051
12 H LYS 2 HN LYS 2 -2.275 1.001 11.102
13 HA LYS 2 HA LYS 2 -0.209 0.125 11.217
14 1HB LYS 2 2HB LYS 2 -1.387 -2.630 10.910
15 2HB LYS 2 3HB LYS 2 0.086 -2.127 11.763
16 1HG LYS 2 2HG LYS 2 -1.430 -0.780 13.332
17 2HG LYS 2 3HG LYS 2 -2.805 -1.600 12.545
18 1HD LYS 2 2HD LYS 2 -1.122 -3.704 12.995
19 2HD LYS 2 3HD LYS 2 -0.743 -2.680 14.393
20 1HE LYS 2 2HE LYS 2 -3.122 -2.713 15.065
21 2HE LYS 2 3HE LYS 2 -3.574 -3.453 13.507
22 1HZ LYS 2 3HNZ LYS 2 -1.845 -4.851 15.410
23 2HZ LYS 2 1HNZ LYS 2 -3.481 -5.082 15.275
24 3HZ LYS 2 2HNZ LYS 2 -2.511 -5.370 13.980
25 H LYS 3 HN LYS 3 1.383 -1.505 10.136
26 HA LYS 3 HA LYS 3 1.440 -0.593 7.380
27 1HB LYS 3 2HB LYS 3 3.373 -2.283 8.990
28 2HB LYS 3 3HB LYS 3 3.692 -1.504 7.436
29 1HG LYS 3 2HG LYS 3 3.231 0.716 8.475
30 2HG LYS 3 3HG LYS 3 2.932 -0.081 10.013
31 1HD LYS 3 2HD LYS 3 5.174 -1.137 9.953
32 2HD LYS 3 3HD LYS 3 5.609 -0.108 8.573
33 1HE LYS 3 2HE LYS 3 5.556 1.864 9.906
34 2HE LYS 3 3HE LYS 3 4.471 1.146 11.108
35 1HZ LYS 3 3HNZ LYS 3 7.252 0.261 10.819
36 2HZ LYS 3 1HNZ LYS 3 6.698 1.362 11.931
37 3HZ LYS 3 2HNZ LYS 3 6.136 -0.147 11.963
38 H TYR 4 HN TYR 4 2.109 -2.115 5.703
39 HA TYR 4 HA TYR 4 0.971 -4.846 6.008
40 1HB TYR 4 2HB TYR 4 -0.002 -2.818 3.997
41 2HB TYR 4 3HB TYR 4 -0.202 -4.537 3.728
42 HD1 TYR 4 HD2 TYR 4 -1.242 -1.736 5.955
43 HD2 TYR 4 HD1 TYR 4 -1.926 -5.782 4.724
44 HE1 TYR 4 HE2 TYR 4 -3.174 -1.868 7.472
45 HE2 TYR 4 HE1 TYR 4 -3.732 -6.001 6.441
46 HH TYR 4 HOH TYR 4 -4.070 -4.295 9.029
47 H THR 5 HN THR 5 1.870 -6.399 4.670
48 HA THR 5 HA THR 5 4.195 -5.611 2.998
49 HB THR 5 HB THR 5 2.907 -8.357 3.207
50 HG1 THR 5 HG1 THR 5 3.458 -7.714 5.262
51 1HG2 THR 5 1HG2 THR 5 5.732 -7.435 2.494
52 2HG2 THR 5 2HG2 THR 5 5.224 -9.119 2.741
53 3HG2 THR 5 3HG2 THR 5 4.564 -8.196 1.390
54 H CYS 6 HN CYN 6 4.349 -5.842 0.654
55 HA CYS 6 HA CYN 6 1.930 -5.372 -0.849
56 1HB CYS 6 2HB CYN 6 4.180 -4.577 -1.499
57 2HB CYS 6 3HB CYN 6 4.668 -6.252 -1.775
58 H THR 7 HN THR 7 1.540 -6.877 -2.817
59 HA THR 7 HA THR 7 0.528 -9.340 -1.733
60 HB THR 7 HB THR 7 -0.572 -7.751 -3.378
61 HG1 THR 7 HG1 THR 7 -1.574 -9.571 -2.991
62 1HG2 THR 7 3HG2 THR 7 1.289 -7.630 -5.070
63 2HG2 THR 7 1HG2 THR 7 0.884 -9.307 -5.517
64 3HG2 THR 7 2HG2 THR 7 -0.313 -8.038 -5.717
65 H VAL 8 HN VAL 8 3.171 -8.524 -4.043
66 HA VAL 8 HA VAL 8 4.291 -11.243 -3.614
67 HB VAL 8 HB VAL 8 4.721 -11.560 -6.008
68 1HG1 VAL 8 3HG1 VAL 8 2.817 -12.671 -4.970
69 2HG1 VAL 8 1HG1 VAL 8 1.753 -11.334 -5.438
70 3HG1 VAL 8 2HG1 VAL 8 2.546 -12.311 -6.682
71 1HG2 VAL 8 2HG2 VAL 8 4.651 -9.247 -6.815
72 2HG2 VAL 8 3HG2 VAL 8 3.518 -10.265 -7.713
73 3HG2 VAL 8 1HG2 VAL 8 2.918 -9.147 -6.477
74 H CYS 9 HN CYN 9 5.071 -8.436 -2.744
75 HA CYS 9 HA CYN 9 7.848 -9.017 -3.184
76 1HB CYS 9 2HB CYN 9 8.576 -6.916 -4.007
77 2HB CYS 9 3HB CYN 9 7.344 -7.510 -5.119
78 H GLY 10 HN GLY 10 8.810 -6.666 -1.934
79 1HA GLY 10 2HA GLY 10 7.800 -7.110 0.828
80 2HA GLY 10 3HA GLY 10 9.243 -6.208 0.352
81 H TYR 11 HN TYR 11 8.978 -4.213 -0.730
82 HA TYR 11 HA TYR 11 8.461 -2.032 -0.060
83 1HB TYR 11 2HB TYR 11 6.603 -2.924 -2.274
84 2HB TYR 11 3HB TYR 11 6.789 -1.244 -1.794
85 HD1 TYR 11 HD2 TYR 11 8.751 -4.173 -3.075
86 HD2 TYR 11 HD1 TYR 11 8.554 0.106 -2.583
87 HE1 TYR 11 HE2 TYR 11 10.640 -3.912 -4.636
88 HE2 TYR 11 HE1 TYR 11 10.496 0.360 -4.102
89 HH TYR 11 HOH TYR 11 12.041 -2.437 -5.703
90 H ILE 12 HN ILE 12 7.781 -2.747 2.141
91 HA ILE 12 HA ILE 12 5.121 -3.189 2.791
92 HB ILE 12 HB ILE 12 7.531 -2.300 4.362
93 1HG1 ILE 12 2HG1 ILE 12 5.615 -4.668 4.594
94 2HG1 ILE 12 3HG1 ILE 12 7.039 -4.668 3.552
95 1HG2 ILE 12 2HG2 ILE 12 4.716 -2.476 5.519
96 2HG2 ILE 12 3HG2 ILE 12 6.203 -2.412 6.483
97 3HG2 ILE 12 1HG2 ILE 12 5.756 -1.033 5.507
98 1HD1 ILE 12 2HD1 ILE 12 8.497 -4.348 5.535
99 2HD1 ILE 12 3HD1 ILE 12 7.067 -4.450 6.590
100 3HD1 ILE 12 1HD1 ILE 12 7.532 -5.837 5.602
101 H TYR 13 HN TYR 13 3.381 -2.008 2.837
102 HA TYR 13 HA TYR 13 3.419 0.873 2.288
103 1HB TYR 13 2HB TYR 13 1.687 -0.588 1.362
104 2HB TYR 13 3HB TYR 13 1.226 -1.098 2.996
105 HD1 TYR 13 HD2 TYR 13 0.036 0.466 4.528
106 HD2 TYR 13 HD1 TYR 13 0.711 1.374 0.405
107 HE1 TYR 13 HE2 TYR 13 -1.504 2.393 4.672
108 HE2 TYR 13 HE1 TYR 13 -0.324 3.635 0.732
109 HH TYR 13 HOH TYR 13 -2.289 4.346 3.654
110 H ASN 14 HN ASN 14 3.131 2.457 3.836
111 HA ASN 14 HA ASN 14 2.629 1.652 6.659
112 1HB ASN 14 2HB ASN 14 5.030 2.188 6.301
113 2HB ASN 14 3HB ASN 14 4.572 3.781 5.694
114 1HD2 ASN 14 2HND ASN 14 5.353 4.299 9.238
115 2HD2 ASN 14 1HND ASN 14 6.064 4.301 7.671
116 HA PRO 15 HA PRO 15 -0.666 4.364 5.510
117 1HB PRO 15 2HB PRO 15 -2.115 4.320 7.915
118 2HB PRO 15 3HB PRO 15 -2.251 3.095 6.640
119 1HG PRO 15 2HG PRO 15 -0.763 2.940 9.218
120 2HG PRO 15 3HG PRO 15 -1.550 1.661 8.249
121 1HD PRO 15 2HD PRO 15 1.187 2.201 8.386
122 2HD PRO 15 3HD PRO 15 0.479 1.234 7.103
123 H GLU 16 HN GLU 16 1.123 4.766 8.572
124 HA GLU 16 HA GLU 16 0.243 7.391 9.112
125 1HB GLU 16 2HB GLU 16 2.890 6.006 9.689
126 2HB GLU 16 3HB GLU 16 2.327 7.516 10.402
127 1HG GLU 16 2HG GLU 16 0.213 6.195 11.136
128 2HG GLU 16 3HG GLU 16 1.114 4.726 10.723
129 H ASP 17 HN ASP 17 2.535 6.123 6.802
130 HA ASP 17 HA ASP 17 3.601 8.839 6.113
131 1HB ASP 17 2HB ASP 17 4.375 6.013 5.370
132 2HB ASP 17 3HB ASP 17 5.014 7.428 4.526
133 H GLY 18 HN GLY 18 1.456 6.262 4.964
134 1HA GLY 18 2HA GLY 18 0.082 6.115 3.218
135 2HA GLY 18 3HA GLY 18 0.288 7.848 2.880
136 H ASP 19 HN ASP 19 0.380 7.307 0.634
137 HA ASP 19 HA ASP 19 3.110 6.855 -0.328
138 1HB ASP 19 2HB ASP 19 0.891 4.932 -0.821
139 2HB ASP 19 3HB ASP 19 1.639 5.502 -2.296
140 HA PRO 20 HA PRO 20 0.244 10.343 -1.565
141 1HB PRO 20 2HB PRO 20 1.979 12.472 -1.180
142 2HB PRO 20 3HB PRO 20 0.896 11.782 0.065
143 1HG PRO 20 2HG PRO 20 3.826 11.190 -0.388
144 2HG PRO 20 3HG PRO 20 2.996 11.506 1.163
145 1HD PRO 20 2HD PRO 20 3.556 8.987 0.373
146 2HD PRO 20 3HD PRO 20 1.993 9.355 1.157
147 H ASP 21 HN ASP 21 3.704 9.867 -2.487
148 HA ASP 21 HA ASP 21 3.778 11.344 -4.819
149 1HB ASP 21 2HB ASP 21 5.095 8.667 -4.143
150 2HB ASP 21 3HB ASP 21 5.660 9.849 -5.327
151 H ASN 22 HN ASN 22 2.310 8.262 -4.107
152 HA ASN 22 HA ASN 22 1.802 7.568 -6.940
153 1HB ASN 22 2HB ASN 22 1.075 6.054 -4.413
154 2HB ASN 22 3HB ASN 22 1.089 5.424 -6.053
155 1HD2 ASN 22 2HND ASN 22 4.499 5.541 -3.802
156 2HD2 ASN 22 1HND ASN 22 3.143 6.527 -3.367
157 H GLY 23 HN GLY 23 0.285 8.818 -4.109
158 1HA GLY 23 2HA GLY 23 -1.530 10.364 -4.831
159 2HA GLY 23 3HA GLY 23 -2.368 8.960 -5.503
160 H VAL 24 HN VAL 24 -0.802 7.987 -2.651
161 HA VAL 24 HA VAL 24 -3.440 7.948 -1.258
162 HB VAL 24 HB VAL 24 -0.928 6.286 -1.066
163 1HG1 VAL 24 2HG1 VAL 24 -3.507 6.131 0.519
164 2HG1 VAL 24 3HG1 VAL 24 -2.317 4.822 0.424
165 3HG1 VAL 24 1HG1 VAL 24 -1.860 6.368 1.160
166 1HG2 VAL 24 2HG2 VAL 24 -2.395 5.880 -3.060
167 2HG2 VAL 24 3HG2 VAL 24 -2.349 4.497 -1.951
168 3HG2 VAL 24 1HG2 VAL 24 -3.759 5.580 -1.967
169 H ASN 25 HN ASN 25 -3.699 9.516 0.214
170 HA ASN 25 HA ASN 25 -1.528 11.140 1.129
171 1HB ASN 25 2HB ASN 25 -4.475 10.877 1.842
172 2HB ASN 25 3HB ASN 25 -3.418 11.878 2.824
173 1HD2 ASN 25 2HND ASN 25 -4.093 13.092 -1.060
174 2HD2 ASN 25 1HND ASN 25 -4.233 11.391 -0.696
175 HA PRO 26 HA PRO 26 -0.252 8.938 4.809
176 1HB PRO 26 2HB PRO 26 0.100 11.007 6.635
177 2HB PRO 26 3HB PRO 26 1.281 10.477 5.417
178 1HG PRO 26 2HG PRO 26 -0.638 12.791 5.272
179 2HG PRO 26 3HG PRO 26 1.065 12.690 4.708
180 1HD PRO 26 2HD PRO 26 -1.076 12.491 3.012
181 2HD PRO 26 3HD PRO 26 0.446 11.593 2.734
182 H GLY 27 HN GLY 27 -1.090 8.182 6.647
183 1HA GLY 27 2HA GLY 27 -2.632 7.602 8.212
184 2HA GLY 27 3HA GLY 27 -3.498 9.129 7.962
185 H THR 28 HN THR 28 -2.928 7.129 5.005
186 HA THR 28 HA THR 28 -5.835 6.648 5.002
187 HB THR 28 HB THR 28 -3.645 6.223 2.924
188 HG1 THR 28 HG1 THR 28 -4.056 8.368 3.102
189 1HG2 THR 28 1HG2 THR 28 -6.661 5.903 2.834
190 2HG2 THR 28 2HG2 THR 28 -5.630 5.967 1.387
191 3HG2 THR 28 3HG2 THR 28 -5.419 4.654 2.563
192 H ASP 29 HN ASP 29 -6.575 4.841 5.784
193 HA ASP 29 HA ASP 29 -4.999 2.605 6.583
194 1HB ASP 29 2HB ASP 29 -7.381 3.256 7.286
195 2HB ASP 29 3HB ASP 29 -7.930 2.522 5.793
196 H PHE 30 HN PHE 30 -4.389 0.846 5.494
197 HA PHE 30 HA PHE 30 -4.171 0.592 2.719
198 1HB PHE 30 2HB PHE 30 -3.213 -0.793 4.714
199 2HB PHE 30 3HB PHE 30 -4.631 -1.817 4.504
200 HD1 PHE 30 HD2 PHE 30 -5.015 -2.762 2.028
201 HD2 PHE 30 HD1 PHE 30 -1.331 -1.036 3.424
202 HE1 PHE 30 HE2 PHE 30 -3.865 -3.488 -0.043
203 HE2 PHE 30 HE1 PHE 30 -0.149 -1.996 1.449
204 HZ PHE 30 HZ PHE 30 -1.389 -3.204 -0.229
205 H LYS 31 HN LYS 31 -6.981 -0.163 4.860
206 HA LYS 31 HA LYS 31 -8.242 -1.713 2.736
207 1HB LYS 31 2HB LYS 31 -10.131 -1.903 4.079
208 2HB LYS 31 3HB LYS 31 -8.697 -2.086 5.111
209 1HG LYS 31 2HG LYS 31 -8.913 0.387 5.636
210 2HG LYS 31 3HG LYS 31 -10.412 0.365 4.724
211 1HD LYS 31 2HD LYS 31 -11.309 -1.371 6.278
212 2HD LYS 31 3HD LYS 31 -9.765 -1.362 7.145
213 1HE LYS 31 2HE LYS 31 -11.471 -0.013 8.364
214 2HE LYS 31 3HE LYS 31 -10.079 0.954 7.869
215 1HZ LYS 31 2HNZ LYS 31 -12.646 0.908 6.423
216 2HZ LYS 31 3HNZ LYS 31 -12.112 2.114 7.415
217 3HZ LYS 31 1HNZ LYS 31 -11.336 1.798 6.027
218 H ASP 32 HN ASP 32 -8.191 1.673 3.720
219 HA ASP 32 HA ASP 32 -10.449 2.485 2.067
220 1HB ASP 32 2HB ASP 32 -8.408 4.018 3.742
221 2HB ASP 32 3HB ASP 32 -9.674 4.779 2.783
222 H ILE 33 HN ILE 33 -6.974 1.966 1.549
223 HA ILE 33 HA ILE 33 -6.388 3.823 -0.358
224 HB ILE 33 HB ILE 33 -5.741 0.914 -0.218
225 1HG1 ILE 33 2HG1 ILE 33 -4.413 3.464 0.710
226 2HG1 ILE 33 3HG1 ILE 33 -4.979 2.208 1.729
227 1HG2 ILE 33 1HG2 ILE 33 -5.305 1.793 -2.465
228 2HG2 ILE 33 2HG2 ILE 33 -4.204 2.979 -1.699
229 3HG2 ILE 33 3HG2 ILE 33 -3.897 1.221 -1.579
230 1HD1 ILE 33 1HD1 ILE 33 -3.267 0.643 0.547
231 2HD1 ILE 33 2HD1 ILE 33 -2.528 2.164 -0.033
232 3HD1 ILE 33 3HD1 ILE 33 -2.679 1.835 1.701
233 HA PRO 34 HA PRO 34 -9.523 2.735 -3.431
234 1HB PRO 34 2HB PRO 34 -8.054 3.854 -5.624
235 2HB PRO 34 3HB PRO 34 -9.399 4.599 -4.734
236 1HG PRO 34 2HG PRO 34 -6.598 5.324 -4.699
237 2HG PRO 34 3HG PRO 34 -7.916 6.033 -3.725
238 1HD PRO 34 2HD PRO 34 -5.847 4.090 -2.891
239 2HD PRO 34 3HD PRO 34 -6.934 5.070 -1.891
240 H ASP 35 HN ASP 35 -9.781 0.898 -4.804
241 HA ASP 35 HA ASP 35 -7.615 -0.935 -5.046
242 1HB ASP 35 2HB ASP 35 -10.506 -0.731 -5.959
243 2HB ASP 35 3HB ASP 35 -9.453 -2.037 -6.410
244 H ASP 36 HN ASP 36 -8.383 1.815 -6.942
245 HA ASP 36 HA ASP 36 -7.130 0.825 -9.367
246 1HB ASP 36 2HB ASP 36 -7.326 3.129 -10.094
247 2HB ASP 36 3HB ASP 36 -8.873 2.543 -9.483
248 H TRP 37 HN TRP 37 -5.941 1.742 -6.275
249 HA TRP 37 HA TRP 37 -3.509 3.026 -7.212
250 1HB TRP 37 2HB TRP 37 -4.409 3.488 -4.993
251 2HB TRP 37 3HB TRP 37 -4.287 1.783 -4.578
252 HD1 TRP 37 HD TRP 37 -1.918 4.761 -5.176
253 HE1 TRP 37 HNE TRP 37 0.275 4.272 -3.925
254 HE3 TRP 37 HE TRP 37 -2.844 -0.032 -3.817
255 HZ2 TRP 37 HZ1 TRP 37 1.486 2.053 -2.509
256 HZ3 TRP 37 HZ2 TRP 37 -1.146 -1.356 -2.524
257 HH2 TRP 37 HH TRP 37 1.012 -0.308 -1.877
258 H VAL 38 HN VAL 38 -1.401 2.112 -7.012
259 HA VAL 38 HA VAL 38 -1.167 -0.827 -7.426
260 HB VAL 38 HB VAL 38 -0.326 1.434 -9.307
261 1HG1 VAL 38 3HG1 VAL 38 1.396 -0.370 -9.289
262 2HG1 VAL 38 1HG1 VAL 38 0.091 -1.533 -9.707
263 3HG1 VAL 38 2HG1 VAL 38 0.541 -0.243 -10.827
264 1HG2 VAL 38 3HG2 VAL 38 -2.320 -0.867 -9.587
265 2HG2 VAL 38 1HG2 VAL 38 -2.686 0.869 -9.605
266 3HG2 VAL 38 2HG2 VAL 38 -1.789 0.151 -10.939
267 H CYS 39 HN CYN 39 1.088 -1.576 -7.113
268 HA CYS 39 HA CYN 39 2.294 -0.144 -4.882
269 1HB CYS 39 2HB CYN 39 1.975 -2.442 -4.567
270 2HB CYS 39 3HB CYN 39 2.674 -2.868 -6.134
271 HA PRO 40 HA PRO 40 5.161 1.809 -7.702
272 1HB PRO 40 2HB PRO 40 7.111 2.686 -5.947
273 2HB PRO 40 3HB PRO 40 5.499 3.420 -6.088
274 1HG PRO 40 2HG PRO 40 6.407 1.330 -4.092
275 2HG PRO 40 3HG PRO 40 5.542 2.862 -3.752
276 1HD PRO 40 2HD PRO 40 4.239 0.503 -3.943
277 2HD PRO 40 3HD PRO 40 3.507 1.990 -4.624
278 H LEU 41 HN LEU 41 7.058 1.292 -8.799
279 HA LEU 41 HA LEU 41 8.790 0.111 -9.607
280 1HB LEU 41 2HB LEU 41 9.177 -0.572 -6.677
281 2HB LEU 41 3HB LEU 41 10.096 -1.404 -7.903
282 HG LEU 41 HG LEU 41 11.134 0.590 -6.766
283 1HD1 LEU 41 1HD1 LEU 41 12.080 -0.470 -8.774
284 2HD1 LEU 41 2HD1 LEU 41 11.064 0.545 -9.819
285 3HD1 LEU 41 3HD1 LEU 41 12.328 1.283 -8.816
286 1HD2 LEU 41 1HD2 LEU 41 9.249 2.177 -6.931
287 2HD2 LEU 41 2HD2 LEU 41 10.734 2.814 -7.654
288 3HD2 LEU 41 3HD2 LEU 41 9.437 2.222 -8.701
289 H CYS 42 HN CYN 42 7.207 -2.053 -7.275
290 HA CYS 42 HA CYN 42 7.454 -4.468 -8.789
291 1HB CYS 42 2HB CYN 42 7.158 -4.688 -6.529
292 2HB CYS 42 3HB CYN 42 5.925 -3.429 -6.455
293 H GLY 43 HN GLY 43 4.588 -2.243 -8.373
294 1HA GLY 43 2HA GLY 43 3.241 -1.667 -10.241
295 2HA GLY 43 3HA GLY 43 3.566 -3.212 -11.019
296 H VAL 44 HN VAL 44 2.079 -4.870 -10.636
297 HA VAL 44 HA VAL 44 -0.390 -4.001 -9.543
298 HB VAL 44 HB VAL 44 0.468 -6.784 -10.395
299 1HG1 VAL 44 3HG1 VAL 44 -2.301 -5.604 -9.861
300 2HG1 VAL 44 1HG1 VAL 44 -1.994 -7.161 -10.655
301 3HG1 VAL 44 2HG1 VAL 44 -1.534 -6.933 -8.966
302 1HG2 VAL 44 2HG2 VAL 44 -1.037 -4.544 -11.836
303 2HG2 VAL 44 3HG2 VAL 44 0.610 -5.091 -12.214
304 3HG2 VAL 44 1HG2 VAL 44 -0.761 -6.175 -12.476
305 H GLY 45 HN GLY 45 -0.693 -3.609 -7.472
306 1HA GLY 45 2HA GLY 45 -0.085 -5.661 -5.396
307 2HA GLY 45 3HA GLY 45 0.294 -3.948 -5.160
308 H LYS 46 HN LYS 46 -1.252 -4.290 -3.305
309 HA LYS 46 HA LYS 46 -3.266 -4.248 -2.284
310 1HB LYS 46 2HB LYS 46 -3.485 -2.113 -2.841
311 2HB LYS 46 3HB LYS 46 -3.673 -2.389 -4.574
312 1HG LYS 46 2HG LYS 46 -5.898 -2.546 -4.480
313 2HG LYS 46 3HG LYS 46 -5.965 -3.420 -2.960
314 1HD LYS 46 2HD LYS 46 -5.255 -0.484 -3.000
315 2HD LYS 46 3HD LYS 46 -6.912 -1.046 -3.072
316 1HE LYS 46 2HE LYS 46 -5.836 -2.602 -0.988
317 2HE LYS 46 3HE LYS 46 -5.140 -1.026 -0.750
318 1HZ LYS 46 3HNZ LYS 46 -7.537 -0.196 -1.001
319 2HZ LYS 46 1HNZ LYS 46 -8.023 -1.740 -0.954
320 3HZ LYS 46 2HNZ LYS 46 -7.207 -1.059 0.353
321 H ASP 47 HN ASP 47 -2.862 -6.510 -2.903
322 HA ASP 47 HA ASP 47 -5.500 -7.465 -2.757
323 1HB ASP 47 2HB ASP 47 -5.234 -7.857 -5.207
324 2HB ASP 47 3HB ASP 47 -3.738 -8.760 -4.900
325 H GLN 48 HN GLN 48 -5.358 -9.637 -1.832
326 HA GLN 48 HA GLN 48 -4.672 -10.823 0.053
327 1HB GLN 48 2HB GLN 48 -3.784 -11.668 -2.361
328 2HB GLN 48 3HB GLN 48 -2.219 -11.463 -1.583
329 1HG GLN 48 2HG GLN 48 -2.787 -13.701 -1.134
330 2HG GLN 48 3HG GLN 48 -3.250 -12.887 0.363
331 1HE2 GLN 48 2HNE GLN 48 -6.121 -14.467 -2.159
332 2HE2 GLN 48 1HNE GLN 48 -4.470 -14.258 -2.715
333 H PHE 49 HN PHE 49 -3.922 -8.207 0.647
334 HA PHE 49 HA PHE 49 -1.089 -7.987 1.231
335 1HB PHE 49 2HB PHE 49 -1.913 -5.811 2.345
336 2HB PHE 49 3HB PHE 49 -2.031 -5.962 0.614
337 HD1 PHE 49 HD1 PHE 49 -4.048 -6.062 3.762
338 HD2 PHE 49 HD2 PHE 49 -4.185 -6.096 -0.541
339 HE1 PHE 49 HE1 PHE 49 -6.421 -5.400 3.841
340 HE2 PHE 49 HE2 PHE 49 -6.592 -5.501 -0.462
341 HZ PHE 49 HZ PHE 49 -7.703 -5.103 1.729
342 H GLU 50 HN GLU 50 -0.024 -8.378 3.135
343 HA GLU 50 HA GLU 50 -1.559 -9.607 5.375
344 1HB GLU 50 2HB GLU 50 1.417 -9.506 4.730
345 2HB GLU 50 3HB GLU 50 0.697 -10.338 6.091
346 1HG GLU 50 2HG GLU 50 -0.614 -11.769 4.471
347 2HG GLU 50 3HG GLU 50 0.243 -10.982 3.133
348 H GLU 51 HN GLU 51 -1.540 -8.581 7.470
349 HA GLU 51 HA GLU 51 -0.686 -5.808 7.546
350 1HB GLU 51 2HB GLU 51 -2.779 -6.396 8.647
351 2HB GLU 51 3HB GLU 51 -2.015 -7.716 9.540
352 1HG GLU 51 2HG GLU 51 -0.759 -6.311 10.843
353 2HG GLU 51 3HG GLU 51 -1.078 -4.851 9.873
354 H VAL 52 HN VAL 52 1.054 -5.036 8.604
355 HA VAL 52 HA VAL 52 3.152 -6.880 9.599
356 HB VAL 52 HB VAL 52 3.071 -4.180 8.191
357 1HG1 VAL 52 1HG1 VAL 52 5.427 -5.481 9.603
358 2HG1 VAL 52 2HG1 VAL 52 5.522 -4.068 8.518
359 3HG1 VAL 52 3HG1 VAL 52 4.634 -3.947 10.041
360 1HG2 VAL 52 2HG2 VAL 52 3.052 -6.176 6.784
361 2HG2 VAL 52 3HG2 VAL 52 4.488 -5.153 6.600
362 3HG2 VAL 52 1HG2 VAL 52 4.597 -6.687 7.506
363 H GLU 53 HN GLU 53 2.723 -7.005 11.787
364 HA GLU 53 HA GLU 53 1.399 -4.897 13.211
365 1HB GLU 53 2HB GLU 53 1.518 -6.445 15.024
366 2HB GLU 53 3HB GLU 53 0.787 -7.142 13.573
367 1HG GLU 53 2HG GLU 53 2.947 -8.383 13.153
368 2HG GLU 53 3HG GLU 53 3.591 -7.716 14.653
369 H GLU 54 HN GLU 54 3.419 -3.615 12.419
370 HA GLU 54 HA GLU 54 4.798 -2.801 14.837
371 1HB GLU 54 2HB GLU 54 7.088 -2.896 13.845
372 2HB GLU 54 3HB GLU 54 6.425 -4.491 14.217
373 1HG GLU 54 2HG GLU 54 5.970 -4.951 11.904
374 2HG GLU 54 3HG GLU 54 6.292 -3.263 11.441
No H/Q in entry = 374
Start of MODEL 8
1 1H MET 1 1HN MET 1 -5.355 -1.147 9.033
2 2H MET 1 2HN MET 1 -6.393 0.182 8.988
3 3H MET 1 3HN MET 1 -5.203 0.034 7.920
4 HA MET 1 HA MET 1 -4.988 0.497 10.819
5 1HB MET 1 2HB MET 1 -3.246 2.321 9.934
6 2HB MET 1 3HB MET 1 -4.029 2.050 8.394
7 1HG MET 1 2HG MET 1 -6.110 2.742 9.362
8 2HG MET 1 3HG MET 1 -5.500 2.604 11.000
9 1HE MET 1 3HE MET 1 -6.024 4.613 12.147
10 2HE MET 1 1HE MET 1 -6.033 6.232 11.420
11 3HE MET 1 2HE MET 1 -7.112 4.966 10.782
12 H LYS 2 HN LYS 2 -2.372 1.018 11.073
13 HA LYS 2 HA LYS 2 -0.241 0.249 11.137
14 1HB LYS 2 2HB LYS 2 -1.361 -2.535 10.897
15 2HB LYS 2 3HB LYS 2 0.123 -2.013 11.717
16 1HG LYS 2 2HG LYS 2 -1.322 -0.740 13.367
17 2HG LYS 2 3HG LYS 2 -2.744 -1.471 12.556
18 1HD LYS 2 2HD LYS 2 -1.340 -3.695 12.823
19 2HD LYS 2 3HD LYS 2 -0.567 -2.834 14.154
20 1HE LYS 2 2HE LYS 2 -3.595 -3.195 13.743
21 2HE LYS 2 3HE LYS 2 -2.616 -4.335 14.661
22 1HZ LYS 2 2HNZ LYS 2 -2.933 -1.475 15.315
23 2HZ LYS 2 3HNZ LYS 2 -3.683 -2.723 16.089
24 3HZ LYS 2 1HNZ LYS 2 -2.046 -2.564 16.177
25 H LYS 3 HN LYS 3 1.371 -1.388 10.079
26 HA LYS 3 HA LYS 3 1.409 -0.571 7.291
27 1HB LYS 3 2HB LYS 3 3.313 -2.224 8.958
28 2HB LYS 3 3HB LYS 3 3.640 -1.547 7.358
29 1HG LYS 3 2HG LYS 3 3.239 0.750 8.244
30 2HG LYS 3 3HG LYS 3 2.915 0.090 9.832
31 1HD LYS 3 2HD LYS 3 5.104 0.585 10.200
32 2HD LYS 3 3HD LYS 3 5.089 -1.111 9.714
33 1HE LYS 3 2HE LYS 3 5.687 -0.247 7.337
34 2HE LYS 3 3HE LYS 3 6.108 1.265 8.155
35 1HZ LYS 3 1HNZ LYS 3 7.594 -0.069 9.599
36 2HZ LYS 3 2HNZ LYS 3 7.230 -1.395 8.839
37 3HZ LYS 3 3HNZ LYS 3 8.041 -0.205 7.997
38 H TYR 4 HN TYR 4 2.082 -2.184 5.662
39 HA TYR 4 HA TYR 4 0.744 -4.826 5.986
40 1HB TYR 4 2HB TYR 4 -0.048 -2.626 4.098
41 2HB TYR 4 3HB TYR 4 -0.331 -4.294 3.634
42 HD1 TYR 4 HD2 TYR 4 -1.949 -5.680 4.702
43 HD2 TYR 4 HD1 TYR 4 -1.380 -1.622 5.960
44 HE1 TYR 4 HE2 TYR 4 -3.891 -5.885 6.254
45 HE2 TYR 4 HE1 TYR 4 -3.506 -1.692 7.172
46 HH TYR 4 HOH TYR 4 -5.284 -4.731 7.732
47 H THR 5 HN THR 5 1.509 -6.481 4.584
48 HA THR 5 HA THR 5 3.914 -5.968 3.028
49 HB THR 5 HB THR 5 3.784 -8.320 2.456
50 HG1 THR 5 HG1 THR 5 2.038 -9.552 3.058
51 1HG2 THR 5 3HG2 THR 5 4.561 -7.637 4.770
52 2HG2 THR 5 1HG2 THR 5 2.930 -8.023 5.368
53 3HG2 THR 5 2HG2 THR 5 3.933 -9.293 4.655
54 H CYS 6 HN CYN 6 3.992 -6.911 0.755
55 HA CYS 6 HA CYN 6 1.744 -6.089 -1.007
56 1HB CYS 6 2HB CYN 6 3.578 -4.665 -1.535
57 2HB CYS 6 3HB CYN 6 4.754 -5.955 -1.268
58 H THR 7 HN THR 7 1.797 -7.610 -2.955
59 HA THR 7 HA THR 7 1.636 -10.348 -2.322
60 HB THR 7 HB THR 7 1.949 -10.410 -4.960
61 HG1 THR 7 HG1 THR 7 2.780 -8.152 -4.981
62 1HG2 THR 7 3HG2 THR 7 -0.334 -8.889 -3.618
63 2HG2 THR 7 1HG2 THR 7 -0.381 -9.613 -5.236
64 3HG2 THR 7 2HG2 THR 7 -0.223 -10.655 -3.808
65 H VAL 8 HN VAL 8 4.375 -8.449 -3.754
66 HA VAL 8 HA VAL 8 6.243 -10.550 -2.887
67 HB VAL 8 HB VAL 8 7.198 -10.741 -5.241
68 1HG1 VAL 8 1HG1 VAL 8 5.917 -12.550 -4.107
69 2HG1 VAL 8 2HG1 VAL 8 4.460 -11.990 -4.962
70 3HG1 VAL 8 3HG1 VAL 8 5.858 -12.569 -5.874
71 1HG2 VAL 8 3HG2 VAL 8 5.931 -8.829 -6.258
72 2HG2 VAL 8 1HG2 VAL 8 5.761 -10.357 -7.139
73 3HG2 VAL 8 2HG2 VAL 8 4.438 -9.784 -6.112
74 H CYS 9 HN CYN 9 5.775 -7.410 -2.636
75 HA CYS 9 HA CYN 9 8.609 -6.707 -3.289
76 1HB CYS 9 2HB CYN 9 6.282 -4.887 -2.722
77 2HB CYS 9 3HB CYN 9 7.953 -4.460 -3.094
78 H GLY 10 HN GLY 10 10.009 -6.794 -1.651
79 1HA GLY 10 2HA GLY 10 9.231 -6.684 1.166
80 2HA GLY 10 3HA GLY 10 10.865 -6.738 0.491
81 H TYR 11 HN TYR 11 8.115 -4.466 0.167
82 HA TYR 11 HA TYR 11 9.897 -2.187 1.006
83 1HB TYR 11 2HB TYR 11 7.467 -2.170 -0.823
84 2HB TYR 11 3HB TYR 11 8.320 -0.736 -0.259
85 HD1 TYR 11 HD1 TYR 11 11.179 -1.377 -0.590
86 HD2 TYR 11 HD2 TYR 11 7.803 -2.139 -3.169
87 HE1 TYR 11 HE1 TYR 11 12.690 -1.552 -2.517
88 HE2 TYR 11 HE2 TYR 11 9.335 -2.437 -5.076
89 HH TYR 11 HOH TYR 11 12.880 -1.991 -4.763
90 H ILE 12 HN ILE 12 6.585 -3.461 1.122
91 HA ILE 12 HA ILE 12 5.000 -3.414 2.642
92 HB ILE 12 HB ILE 12 7.313 -2.812 4.464
93 1HG1 ILE 12 2HG1 ILE 12 5.081 -4.830 4.680
94 2HG1 ILE 12 3HG1 ILE 12 6.442 -5.080 3.584
95 1HG2 ILE 12 3HG2 ILE 12 4.440 -2.504 5.373
96 2HG2 ILE 12 1HG2 ILE 12 5.859 -2.601 6.426
97 3HG2 ILE 12 2HG2 ILE 12 5.675 -1.226 5.349
98 1HD1 ILE 12 2HD1 ILE 12 6.746 -4.673 6.587
99 2HD1 ILE 12 3HD1 ILE 12 6.799 -6.220 5.725
100 3HD1 ILE 12 1HD1 ILE 12 8.039 -4.991 5.410
101 H TYR 13 HN TYR 13 3.287 -2.172 2.836
102 HA TYR 13 HA TYR 13 3.446 0.693 2.134
103 1HB TYR 13 2HB TYR 13 1.620 -0.677 1.251
104 2HB TYR 13 3HB TYR 13 1.201 -1.182 2.897
105 HD1 TYR 13 HD2 TYR 13 -0.045 0.287 4.406
106 HD2 TYR 13 HD1 TYR 13 0.874 1.458 0.406
107 HE1 TYR 13 HE2 TYR 13 -1.523 2.262 4.633
108 HE2 TYR 13 HE1 TYR 13 -0.182 3.694 0.807
109 HH TYR 13 HOH TYR 13 -2.252 4.319 3.672
110 H ASN 14 HN ASN 14 3.127 2.350 3.637
111 HA ASN 14 HA ASN 14 2.601 1.605 6.465
112 1HB ASN 14 2HB ASN 14 5.006 2.170 6.097
113 2HB ASN 14 3HB ASN 14 4.521 3.748 5.486
114 1HD2 ASN 14 2HND ASN 14 5.376 4.172 9.071
115 2HD2 ASN 14 1HND ASN 14 6.014 4.299 7.440
116 HA PRO 15 HA PRO 15 -0.633 4.414 5.388
117 1HB PRO 15 2HB PRO 15 -2.080 4.343 7.791
118 2HB PRO 15 3HB PRO 15 -2.250 3.143 6.495
119 1HG PRO 15 2HG PRO 15 -0.782 2.870 9.058
120 2HG PRO 15 3HG PRO 15 -1.590 1.659 8.018
121 1HD PRO 15 2HD PRO 15 1.168 2.139 8.206
122 2HD PRO 15 3HD PRO 15 0.443 1.220 6.893
123 H GLU 16 HN GLU 16 1.183 4.709 8.470
124 HA GLU 16 HA GLU 16 0.295 7.353 9.004
125 1HB GLU 16 2HB GLU 16 2.869 5.910 9.738
126 2HB GLU 16 3HB GLU 16 2.321 7.454 10.371
127 1HG GLU 16 2HG GLU 16 0.076 6.076 10.909
128 2HG GLU 16 3HG GLU 16 1.172 4.688 10.834
129 H ASP 17 HN ASP 17 2.619 6.047 6.774
130 HA ASP 17 HA ASP 17 3.782 8.717 6.094
131 1HB ASP 17 2HB ASP 17 4.299 5.901 5.104
132 2HB ASP 17 3HB ASP 17 5.126 7.333 4.494
133 H GLY 18 HN GLY 18 1.518 6.233 4.946
134 1HA GLY 18 2HA GLY 18 0.177 6.077 3.198
135 2HA GLY 18 3HA GLY 18 0.356 7.806 2.859
136 H ASP 19 HN ASP 19 0.460 7.194 0.617
137 HA ASP 19 HA ASP 19 3.204 6.754 -0.319
138 1HB ASP 19 2HB ASP 19 0.962 4.835 -0.849
139 2HB ASP 19 3HB ASP 19 1.859 5.332 -2.266
140 HA PRO 20 HA PRO 20 0.383 10.182 -1.782
141 1HB PRO 20 2HB PRO 20 2.114 12.315 -1.393
142 2HB PRO 20 3HB PRO 20 0.934 11.702 -0.192
143 1HG PRO 20 2HG PRO 20 3.889 11.101 -0.392
144 2HG PRO 20 3HG PRO 20 2.929 11.449 1.077
145 1HD PRO 20 2HD PRO 20 3.598 8.915 0.376
146 2HD PRO 20 3HD PRO 20 2.001 9.275 1.085
147 H ASP 21 HN ASP 21 3.838 9.506 -2.494
148 HA ASP 21 HA ASP 21 4.084 10.942 -4.872
149 1HB ASP 21 2HB ASP 21 5.312 8.325 -3.867
150 2HB ASP 21 3HB ASP 21 5.894 9.237 -5.262
151 H ASN 22 HN ASN 22 2.475 7.938 -4.097
152 HA ASN 22 HA ASN 22 2.085 7.177 -6.941
153 1HB ASN 22 2HB ASN 22 1.319 5.686 -4.418
154 2HB ASN 22 3HB ASN 22 1.348 5.037 -6.051
155 1HD2 ASN 22 2HND ASN 22 4.744 5.212 -3.764
156 2HD2 ASN 22 1HND ASN 22 3.359 6.159 -3.343
157 H GLY 23 HN GLY 23 0.477 8.433 -4.166
158 1HA GLY 23 2HA GLY 23 -1.282 10.011 -4.944
159 2HA GLY 23 3HA GLY 23 -2.108 8.641 -5.688
160 H VAL 24 HN VAL 24 -0.619 8.014 -2.576
161 HA VAL 24 HA VAL 24 -3.330 7.953 -1.278
162 HB VAL 24 HB VAL 24 -0.890 6.187 -1.145
163 1HG1 VAL 24 2HG1 VAL 24 -3.315 6.222 0.661
164 2HG1 VAL 24 3HG1 VAL 24 -2.225 4.833 0.493
165 3HG1 VAL 24 1HG1 VAL 24 -1.605 6.355 1.149
166 1HG2 VAL 24 2HG2 VAL 24 -2.603 5.820 -2.978
167 2HG2 VAL 24 3HG2 VAL 24 -2.467 4.455 -1.850
168 3HG2 VAL 24 1HG2 VAL 24 -3.832 5.584 -1.727
169 H ASN 25 HN ASN 25 -3.527 9.543 0.150
170 HA ASN 25 HA ASN 25 -1.307 11.107 1.069
171 1HB ASN 25 2HB ASN 25 -4.272 10.950 1.729
172 2HB ASN 25 3HB ASN 25 -3.209 11.907 2.747
173 1HD2 ASN 25 2HND ASN 25 -3.617 13.135 -1.177
174 2HD2 ASN 25 1HND ASN 25 -3.718 11.426 -0.829
175 HA PRO 26 HA PRO 26 -0.151 8.919 4.781
176 1HB PRO 26 2HB PRO 26 0.221 10.980 6.612
177 2HB PRO 26 3HB PRO 26 1.411 10.426 5.416
178 1HG PRO 26 2HG PRO 26 -0.418 12.798 5.255
179 2HG PRO 26 3HG PRO 26 1.278 12.611 4.686
180 1HD PRO 26 2HD PRO 26 -0.922 12.497 3.017
181 2HD PRO 26 3HD PRO 26 0.589 11.599 2.693
182 H GLY 27 HN GLY 27 -1.016 8.193 6.625
183 1HA GLY 27 2HA GLY 27 -2.586 7.662 8.187
184 2HA GLY 27 3HA GLY 27 -3.418 9.202 7.906
185 H THR 28 HN THR 28 -2.860 7.120 5.002
186 HA THR 28 HA THR 28 -5.782 6.708 4.974
187 HB THR 28 HB THR 28 -3.580 6.218 2.926
188 HG1 THR 28 HG1 THR 28 -3.900 8.381 3.088
189 1HG2 THR 28 2HG2 THR 28 -6.611 6.073 2.762
190 2HG2 THR 28 3HG2 THR 28 -5.529 6.030 1.350
191 3HG2 THR 28 1HG2 THR 28 -5.454 4.736 2.563
192 H ASP 29 HN ASP 29 -6.548 4.940 5.791
193 HA ASP 29 HA ASP 29 -5.058 2.624 6.520
194 1HB ASP 29 2HB ASP 29 -7.388 3.357 7.300
195 2HB ASP 29 3HB ASP 29 -7.995 2.707 5.795
196 H PHE 30 HN PHE 30 -4.532 0.883 5.363
197 HA PHE 30 HA PHE 30 -4.386 0.694 2.606
198 1HB PHE 30 2HB PHE 30 -3.507 -0.778 4.590
199 2HB PHE 30 3HB PHE 30 -4.922 -1.775 4.266
200 HD1 PHE 30 HD2 PHE 30 -5.204 -2.482 1.670
201 HD2 PHE 30 HD1 PHE 30 -1.558 -1.088 3.468
202 HE1 PHE 30 HE2 PHE 30 -3.899 -3.379 -0.231
203 HE2 PHE 30 HE1 PHE 30 -0.266 -2.100 1.582
204 HZ PHE 30 HZ PHE 30 -1.426 -3.120 -0.258
205 H LYS 31 HN LYS 31 -7.224 -0.001 4.739
206 HA LYS 31 HA LYS 31 -8.565 -1.484 2.599
207 1HB LYS 31 2HB LYS 31 -10.454 -1.584 3.969
208 2HB LYS 31 3HB LYS 31 -9.015 -1.856 4.977
209 1HG LYS 31 2HG LYS 31 -9.085 0.657 5.482
210 2HG LYS 31 3HG LYS 31 -10.629 0.700 4.666
211 1HD LYS 31 2HD LYS 31 -11.465 -1.035 6.262
212 2HD LYS 31 3HD LYS 31 -9.873 -0.987 7.075
213 1HE LYS 31 2HE LYS 31 -10.177 1.488 7.471
214 2HE LYS 31 3HE LYS 31 -11.776 1.406 6.725
215 1HZ LYS 31 3HNZ LYS 31 -12.443 -0.075 8.497
216 2HZ LYS 31 1HNZ LYS 31 -10.937 0.017 9.178
217 3HZ LYS 31 2HNZ LYS 31 -11.890 1.358 9.094
218 H ASP 32 HN ASP 32 -8.375 1.874 3.672
219 HA ASP 32 HA ASP 32 -10.568 2.847 2.036
220 1HB ASP 32 2HB ASP 32 -8.458 4.194 3.782
221 2HB ASP 32 3HB ASP 32 -9.661 5.067 2.839
222 H ILE 33 HN ILE 33 -7.125 2.129 1.474
223 HA ILE 33 HA ILE 33 -6.498 4.035 -0.422
224 HB ILE 33 HB ILE 33 -5.889 1.121 -0.189
225 1HG1 ILE 33 2HG1 ILE 33 -4.548 3.666 0.680
226 2HG1 ILE 33 3HG1 ILE 33 -5.090 2.410 1.702
227 1HG2 ILE 33 3HG2 ILE 33 -5.459 1.878 -2.473
228 2HG2 ILE 33 1HG2 ILE 33 -4.347 3.099 -1.794
229 3HG2 ILE 33 2HG2 ILE 33 -4.033 1.354 -1.602
230 1HD1 ILE 33 3HD1 ILE 33 -3.376 0.857 0.531
231 2HD1 ILE 33 1HD1 ILE 33 -2.646 2.378 -0.062
232 3HD1 ILE 33 2HD1 ILE 33 -2.806 2.067 1.679
233 HA PRO 34 HA PRO 34 -9.607 2.843 -3.510
234 1HB PRO 34 2HB PRO 34 -8.185 3.922 -5.742
235 2HB PRO 34 3HB PRO 34 -9.478 4.678 -4.795
236 1HG PRO 34 2HG PRO 34 -6.621 5.338 -4.822
237 2HG PRO 34 3HG PRO 34 -7.925 6.153 -3.912
238 1HD PRO 34 2HD PRO 34 -5.941 4.213 -2.942
239 2HD PRO 34 3HD PRO 34 -7.022 5.249 -1.999
240 H ASP 35 HN ASP 35 -9.764 0.925 -4.745
241 HA ASP 35 HA ASP 35 -7.447 -0.759 -4.877
242 1HB ASP 35 2HB ASP 35 -10.399 -0.902 -5.520
243 2HB ASP 35 3HB ASP 35 -9.302 -2.067 -6.196
244 H ASP 36 HN ASP 36 -8.360 1.783 -6.822
245 HA ASP 36 HA ASP 36 -7.221 0.935 -9.322
246 1HB ASP 36 2HB ASP 36 -8.513 3.221 -8.280
247 2HB ASP 36 3HB ASP 36 -6.969 3.695 -9.007
248 H TRP 37 HN TRP 37 -5.918 1.784 -6.225
249 HA TRP 37 HA TRP 37 -3.452 2.983 -7.144
250 1HB TRP 37 2HB TRP 37 -4.397 3.500 -4.942
251 2HB TRP 37 3HB TRP 37 -4.308 1.799 -4.508
252 HD1 TRP 37 HD TRP 37 -1.897 4.756 -5.028
253 HE1 TRP 37 HNE TRP 37 0.159 4.311 -3.559
254 HE3 TRP 37 HE TRP 37 -2.898 -0.042 -3.707
255 HZ2 TRP 37 HZ1 TRP 37 1.238 2.138 -1.989
256 HZ3 TRP 37 HZ2 TRP 37 -1.301 -1.324 -2.244
257 HH2 TRP 37 HH TRP 37 0.730 -0.224 -1.364
258 H VAL 38 HN VAL 38 -1.380 2.118 -6.896
259 HA VAL 38 HA VAL 38 -1.063 -0.837 -6.951
260 HB VAL 38 HB VAL 38 0.091 1.172 -8.928
261 1HG1 VAL 38 1HG1 VAL 38 0.699 -1.794 -8.589
262 2HG1 VAL 38 2HG1 VAL 38 1.147 -0.832 -10.007
263 3HG1 VAL 38 3HG1 VAL 38 1.846 -0.448 -8.435
264 1HG2 VAL 38 3HG2 VAL 38 -1.760 -1.234 -9.285
265 2HG2 VAL 38 1HG2 VAL 38 -2.223 0.472 -9.466
266 3HG2 VAL 38 2HG2 VAL 38 -1.085 -0.255 -10.603
267 H CYS 39 HN CYN 39 0.983 -1.566 -6.102
268 HA CYS 39 HA CYN 39 1.895 0.252 -4.032
269 1HB CYS 39 2HB CYN 39 2.443 -1.558 -2.868
270 2HB CYS 39 3HB CYN 39 1.406 -2.384 -4.008
271 HA PRO 40 HA PRO 40 5.268 2.001 -5.859
272 1HB PRO 40 2HB PRO 40 7.390 1.948 -4.107
273 2HB PRO 40 3HB PRO 40 5.897 2.901 -3.856
274 1HG PRO 40 2HG PRO 40 6.554 0.180 -2.718
275 2HG PRO 40 3HG PRO 40 5.912 1.610 -1.852
276 1HD PRO 40 2HD PRO 40 4.317 -0.392 -2.706
277 2HD PRO 40 3HD PRO 40 3.754 1.306 -2.791
278 H LEU 41 HN LEU 41 6.119 1.172 -7.651
279 HA LEU 41 HA LEU 41 7.447 0.070 -9.110
280 1HB LEU 41 2HB LEU 41 9.130 -0.840 -6.748
281 2HB LEU 41 3HB LEU 41 9.597 -0.804 -8.442
282 HG LEU 41 HG LEU 41 9.029 1.622 -6.680
283 1HD1 LEU 41 3HD1 LEU 41 11.126 0.442 -6.156
284 2HD1 LEU 41 1HD1 LEU 41 11.608 0.510 -7.865
285 3HD1 LEU 41 2HD1 LEU 41 11.455 2.007 -6.921
286 1HD2 LEU 41 3HD2 LEU 41 9.892 1.425 -9.605
287 2HD2 LEU 41 1HD2 LEU 41 8.397 2.163 -8.985
288 3HD2 LEU 41 2HD2 LEU 41 9.959 2.909 -8.632
289 H CYS 42 HN CYN 42 5.144 -1.169 -8.690
290 HA CYS 42 HA CYN 42 5.855 -4.023 -8.963
291 1HB CYS 42 2HB CYN 42 5.169 -3.369 -6.623
292 2HB CYS 42 3HB CYN 42 3.544 -3.053 -7.273
293 H GLY 43 HN GLY 43 3.521 -5.065 -9.532
294 1HA GLY 43 2HA GLY 43 2.613 -3.577 -11.984
295 2HA GLY 43 3HA GLY 43 2.687 -5.330 -11.802
296 H VAL 44 HN VAL 44 1.337 -6.160 -9.805
297 HA VAL 44 HA VAL 44 -1.399 -5.332 -10.369
298 HB VAL 44 HB VAL 44 -2.071 -7.142 -8.944
299 1HG1 VAL 44 1HG1 VAL 44 -1.397 -7.604 -11.281
300 2HG1 VAL 44 2HG1 VAL 44 0.227 -8.054 -10.713
301 3HG1 VAL 44 3HG1 VAL 44 -1.190 -8.995 -10.204
302 1HG2 VAL 44 2HG2 VAL 44 0.877 -7.552 -8.253
303 2HG2 VAL 44 3HG2 VAL 44 -0.400 -7.017 -7.140
304 3HG2 VAL 44 1HG2 VAL 44 -0.460 -8.641 -7.832
305 H GLY 45 HN GLY 45 -2.945 -5.024 -8.411
306 1HA GLY 45 2HA GLY 45 -1.725 -2.873 -6.725
307 2HA GLY 45 3HA GLY 45 -3.251 -2.682 -7.575
308 H LYS 46 HN LYS 46 -1.828 -3.458 -4.744
309 HA LYS 46 HA LYS 46 -2.465 -4.224 -2.735
310 1HB LYS 46 2HB LYS 46 -5.230 -3.810 -3.895
311 2HB LYS 46 3HB LYS 46 -4.851 -4.011 -2.178
312 1HG LYS 46 2HG LYS 46 -3.554 -1.862 -2.342
313 2HG LYS 46 3HG LYS 46 -4.002 -1.821 -4.075
314 1HD LYS 46 2HD LYS 46 -5.593 -0.407 -3.104
315 2HD LYS 46 3HD LYS 46 -6.420 -1.949 -3.345
316 1HE LYS 46 2HE LYS 46 -5.931 -2.518 -0.923
317 2HE LYS 46 3HE LYS 46 -5.293 -0.898 -0.738
318 1HZ LYS 46 1HNZ LYS 46 -8.069 -1.495 -1.617
319 2HZ LYS 46 2HNZ LYS 46 -7.615 -1.017 -0.062
320 3HZ LYS 46 3HNZ LYS 46 -7.498 -0.019 -1.335
321 H ASP 47 HN ASP 47 -5.132 -5.725 -4.516
322 HA ASP 47 HA ASP 47 -6.164 -7.688 -4.183
323 1HB ASP 47 2HB ASP 47 -3.521 -8.889 -5.050
324 2HB ASP 47 3HB ASP 47 -5.150 -9.507 -5.292
325 H GLN 48 HN GLN 48 -2.915 -8.523 -2.921
326 HA GLN 48 HA GLN 48 -4.160 -9.826 -0.545
327 1HB GLN 48 2HB GLN 48 -3.715 -11.571 -2.198
328 2HB GLN 48 3HB GLN 48 -2.034 -11.038 -2.355
329 1HG GLN 48 2HG GLN 48 -1.554 -11.670 -0.049
330 2HG GLN 48 3HG GLN 48 -3.272 -11.983 0.262
331 1HE2 GLN 48 2HNE GLN 48 -2.762 -15.376 -0.552
332 2HE2 GLN 48 1HNE GLN 48 -3.446 -14.198 0.555
333 H PHE 49 HN PHE 49 -3.387 -8.767 1.160
334 HA PHE 49 HA PHE 49 -0.560 -7.918 1.378
335 1HB PHE 49 2HB PHE 49 -1.517 -5.654 2.123
336 2HB PHE 49 3HB PHE 49 -1.433 -5.971 0.406
337 HD1 PHE 49 HD1 PHE 49 -3.473 -6.526 -0.902
338 HD2 PHE 49 HD2 PHE 49 -3.729 -5.349 3.216
339 HE1 PHE 49 HE1 PHE 49 -5.914 -6.138 -1.167
340 HE2 PHE 49 HE2 PHE 49 -6.144 -4.923 2.958
341 HZ PHE 49 HZ PHE 49 -7.248 -5.303 0.754
342 H GLU 50 HN GLU 50 0.039 -8.779 3.311
343 HA GLU 50 HA GLU 50 -1.982 -9.420 5.382
344 1HB GLU 50 2HB GLU 50 0.989 -9.982 5.012
345 2HB GLU 50 3HB GLU 50 0.194 -10.191 6.549
346 1HG GLU 50 2HG GLU 50 -1.456 -11.756 5.479
347 2HG GLU 50 3HG GLU 50 -0.641 -11.531 3.919
348 H GLU 51 HN GLU 51 -1.908 -8.441 7.493
349 HA GLU 51 HA GLU 51 -0.966 -5.689 7.538
350 1HB GLU 51 2HB GLU 51 -3.115 -6.249 8.555
351 2HB GLU 51 3HB GLU 51 -2.400 -7.582 9.468
352 1HG GLU 51 2HG GLU 51 -1.190 -6.162 10.833
353 2HG GLU 51 3HG GLU 51 -1.598 -4.690 9.935
354 H VAL 52 HN VAL 52 0.827 -4.949 8.598
355 HA VAL 52 HA VAL 52 2.789 -6.893 9.642
356 HB VAL 52 HB VAL 52 2.915 -4.167 8.279
357 1HG1 VAL 52 1HG1 VAL 52 5.096 -5.635 9.814
358 2HG1 VAL 52 2HG1 VAL 52 5.374 -4.261 8.708
359 3HG1 VAL 52 3HG1 VAL 52 4.425 -4.032 10.177
360 1HG2 VAL 52 1HG2 VAL 52 2.834 -6.131 6.833
361 2HG2 VAL 52 2HG2 VAL 52 4.358 -5.233 6.756
362 3HG2 VAL 52 3HG2 VAL 52 4.287 -6.781 7.638
363 H GLU 53 HN GLU 53 2.234 -7.069 11.790
364 HA GLU 53 HA GLU 53 1.502 -4.797 13.384
365 1HB GLU 53 2HB GLU 53 1.384 -6.418 15.137
366 2HB GLU 53 3HB GLU 53 0.578 -7.036 13.698
367 1HG GLU 53 2HG GLU 53 2.830 -8.273 13.246
368 2HG GLU 53 3HG GLU 53 3.197 -7.859 14.919
369 H GLU 54 HN GLU 54 3.136 -3.404 13.131
370 HA GLU 54 HA GLU 54 5.305 -3.790 15.024
371 1HB GLU 54 2HB GLU 54 6.979 -2.581 13.831
372 2HB GLU 54 3HB GLU 54 6.463 -3.921 12.791
373 1HG GLU 54 2HG GLU 54 4.984 -2.314 11.572
374 2HG GLU 54 3HG GLU 54 5.625 -1.002 12.563
No H/Q in entry = 374
Start of MODEL 9
1 1H MET 1 1HN MET 1 -5.988 -0.786 9.557
2 2H MET 1 2HN MET 1 -6.727 0.720 9.479
3 3H MET 1 3HN MET 1 -5.744 0.230 8.319
4 HA MET 1 HA MET 1 -4.990 0.827 11.122
5 1HB MET 1 2HB MET 1 -3.189 2.282 9.968
6 2HB MET 1 3HB MET 1 -4.074 1.988 8.479
7 1HG MET 1 2HG MET 1 -6.071 2.935 9.662
8 2HG MET 1 3HG MET 1 -5.061 3.360 11.029
9 1HE MET 1 3HE MET 1 -2.451 4.544 10.031
10 2HE MET 1 1HE MET 1 -2.843 6.243 9.700
11 3HE MET 1 2HE MET 1 -3.495 5.453 11.148
12 H LYS 2 HN LYS 2 -2.468 0.799 11.128
13 HA LYS 2 HA LYS 2 -0.535 -0.340 11.228
14 1HB LYS 2 2HB LYS 2 -2.040 -2.814 10.402
15 2HB LYS 2 3HB LYS 2 -0.518 -2.716 11.295
16 1HG LYS 2 2HG LYS 2 -1.673 -1.673 13.214
17 2HG LYS 2 3HG LYS 2 -3.241 -1.806 12.356
18 1HD LYS 2 2HD LYS 2 -2.816 -4.170 11.932
19 2HD LYS 2 3HD LYS 2 -1.377 -4.137 12.952
20 1HE LYS 2 2HE LYS 2 -4.304 -3.678 13.745
21 2HE LYS 2 3HE LYS 2 -3.344 -5.128 14.069
22 1HZ LYS 2 1HNZ LYS 2 -1.880 -3.783 15.432
23 2HZ LYS 2 2HNZ LYS 2 -2.800 -2.446 15.169
24 3HZ LYS 2 3HNZ LYS 2 -3.427 -3.725 16.001
25 H LYS 3 HN LYS 3 0.991 -1.850 9.943
26 HA LYS 3 HA LYS 3 1.110 -0.690 7.246
27 1HB LYS 3 2HB LYS 3 3.077 -2.358 8.857
28 2HB LYS 3 3HB LYS 3 3.396 -1.549 7.318
29 1HG LYS 3 2HG LYS 3 2.792 0.637 8.364
30 2HG LYS 3 3HG LYS 3 2.522 -0.170 9.884
31 1HD LYS 3 2HD LYS 3 5.001 -0.941 9.738
32 2HD LYS 3 3HD LYS 3 5.151 0.259 8.443
33 1HE LYS 3 2HE LYS 3 4.181 1.993 10.088
34 2HE LYS 3 3HE LYS 3 4.237 0.741 11.334
35 1HZ LYS 3 3HNZ LYS 3 6.601 0.599 10.995
36 2HZ LYS 3 1HNZ LYS 3 6.560 1.826 9.897
37 3HZ LYS 3 2HNZ LYS 3 6.148 2.100 11.472
38 H TYR 4 HN TYR 4 1.818 -2.147 5.505
39 HA TYR 4 HA TYR 4 0.727 -4.899 5.710
40 1HB TYR 4 2HB TYR 4 -0.364 -2.845 3.724
41 2HB TYR 4 3HB TYR 4 -0.359 -4.546 3.402
42 HD1 TYR 4 HD1 TYR 4 -1.548 -2.208 6.144
43 HD2 TYR 4 HD2 TYR 4 -2.148 -5.832 3.919
44 HE1 TYR 4 HE1 TYR 4 -3.487 -2.771 7.551
45 HE2 TYR 4 HE2 TYR 4 -4.168 -6.333 5.251
46 HH TYR 4 HOH TYR 4 -5.325 -5.717 7.278
47 H THR 5 HN THR 5 1.760 -6.406 4.402
48 HA THR 5 HA THR 5 4.003 -5.311 2.717
49 HB THR 5 HB THR 5 4.698 -6.826 4.469
50 HG1 THR 5 HG1 THR 5 5.820 -8.238 2.938
51 1HG2 THR 5 3HG2 THR 5 2.756 -8.334 4.595
52 2HG2 THR 5 1HG2 THR 5 3.149 -8.982 2.978
53 3HG2 THR 5 2HG2 THR 5 4.260 -9.225 4.335
54 H CYS 6 HN CYN 6 4.328 -5.794 0.610
55 HA CYS 6 HA CYN 6 2.021 -6.550 -1.042
56 1HB CYS 6 2HB CYN 6 3.350 -4.568 -1.523
57 2HB CYS 6 3HB CYN 6 4.795 -5.542 -1.689
58 H THR 7 HN THR 7 2.540 -8.652 0.456
59 HA THR 7 HA THR 7 3.054 -10.839 0.490
60 HB THR 7 HB THR 7 2.679 -10.635 -2.533
61 HG1 THR 7 HG1 THR 7 1.083 -9.463 -1.628
62 1HG2 THR 7 2HG2 THR 7 3.201 -12.921 -1.629
63 2HG2 THR 7 3HG2 THR 7 1.857 -12.744 -0.482
64 3HG2 THR 7 1HG2 THR 7 1.535 -12.787 -2.229
65 H VAL 8 HN VAL 8 4.632 -10.590 -2.695
66 HA VAL 8 HA VAL 8 7.093 -11.834 -1.586
67 HB VAL 8 HB VAL 8 5.991 -11.467 -4.402
68 1HG1 VAL 8 2HG1 VAL 8 8.658 -12.676 -3.560
69 2HG1 VAL 8 3HG1 VAL 8 7.911 -12.875 -5.158
70 3HG1 VAL 8 1HG1 VAL 8 8.407 -11.271 -4.624
71 1HG2 VAL 8 2HG2 VAL 8 4.950 -13.294 -3.082
72 2HG2 VAL 8 3HG2 VAL 8 5.933 -13.937 -4.398
73 3HG2 VAL 8 1HG2 VAL 8 6.557 -13.964 -2.739
74 H CYS 9 HN CYN 9 5.837 -8.772 -2.800
75 HA CYS 9 HA CYN 9 8.361 -7.824 -3.871
76 1HB CYS 9 2HB CYN 9 6.165 -7.369 -4.853
77 2HB CYS 9 3HB CYN 9 5.720 -6.580 -3.341
78 H GLY 10 HN GLY 10 9.882 -6.735 -2.757
79 1HA GLY 10 2HA GLY 10 9.596 -6.521 0.156
80 2HA GLY 10 3HA GLY 10 11.060 -6.340 -0.816
81 H TYR 11 HN TYR 11 7.983 -4.667 -0.046
82 HA TYR 11 HA TYR 11 9.560 -2.120 0.038
83 1HB TYR 11 2HB TYR 11 8.053 -2.570 -2.094
84 2HB TYR 11 3HB TYR 11 6.764 -1.994 -1.053
85 HD1 TYR 11 HD1 TYR 11 7.225 0.320 0.189
86 HD2 TYR 11 HD2 TYR 11 9.454 -1.083 -3.230
87 HE1 TYR 11 HE1 TYR 11 7.991 2.631 -0.269
88 HE2 TYR 11 HE2 TYR 11 10.256 1.214 -3.649
89 HH TYR 11 HOH TYR 11 10.092 3.428 -3.050
90 H ILE 12 HN ILE 12 6.313 -3.355 0.816
91 HA ILE 12 HA ILE 12 5.018 -3.237 2.597
92 HB ILE 12 HB ILE 12 7.477 -2.335 4.104
93 1HG1 ILE 12 2HG1 ILE 12 5.529 -4.634 4.444
94 2HG1 ILE 12 3HG1 ILE 12 6.930 -4.729 3.377
95 1HG2 ILE 12 2HG2 ILE 12 4.649 -2.373 5.219
96 2HG2 ILE 12 3HG2 ILE 12 6.132 -2.288 6.183
97 3HG2 ILE 12 1HG2 ILE 12 5.723 -0.960 5.125
98 1HD1 ILE 12 2HD1 ILE 12 8.446 -4.341 5.279
99 2HD1 ILE 12 3HD1 ILE 12 7.055 -4.314 6.390
100 3HD1 ILE 12 1HD1 ILE 12 7.438 -5.786 5.488
101 H TYR 13 HN TYR 13 3.323 -2.043 2.695
102 HA TYR 13 HA TYR 13 3.422 0.854 2.092
103 1HB TYR 13 2HB TYR 13 1.703 -0.421 0.954
104 2HB TYR 13 3HB TYR 13 1.168 -1.151 2.468
105 HD1 TYR 13 HD2 TYR 13 1.147 1.929 0.441
106 HD2 TYR 13 HD1 TYR 13 -0.360 -0.024 3.892
107 HE1 TYR 13 HE2 TYR 13 -0.104 3.999 1.026
108 HE2 TYR 13 HE1 TYR 13 -1.646 2.039 4.526
109 HH TYR 13 HOH TYR 13 -2.366 4.281 3.770
110 H ASN 14 HN ASN 14 3.033 2.364 3.664
111 HA ASN 14 HA ASN 14 2.443 1.489 6.452
112 1HB ASN 14 2HB ASN 14 4.843 1.904 6.219
113 2HB ASN 14 3HB ASN 14 4.517 3.492 5.510
114 1HD2 ASN 14 2HND ASN 14 5.191 4.463 8.815
115 2HD2 ASN 14 1HND ASN 14 6.042 3.853 7.481
116 HA PRO 15 HA PRO 15 -0.732 4.349 5.344
117 1HB PRO 15 2HB PRO 15 -2.230 4.330 7.679
118 2HB PRO 15 3HB PRO 15 -2.313 3.076 6.439
119 1HG PRO 15 2HG PRO 15 -0.763 3.067 9.033
120 2HG PRO 15 3HG PRO 15 -1.642 1.723 8.255
121 1HD PRO 15 2HD PRO 15 1.054 2.056 8.176
122 2HD PRO 15 3HD PRO 15 0.191 1.199 6.881
123 H GLU 16 HN GLU 16 1.016 4.690 8.436
124 HA GLU 16 HA GLU 16 0.222 7.356 8.971
125 1HB GLU 16 2HB GLU 16 2.762 5.792 9.584
126 2HB GLU 16 3HB GLU 16 2.394 7.364 10.251
127 1HG GLU 16 2HG GLU 16 0.093 6.252 10.973
128 2HG GLU 16 3HG GLU 16 0.941 4.721 10.707
129 H ASP 17 HN ASP 17 2.505 5.962 6.706
130 HA ASP 17 HA ASP 17 3.664 8.626 6.022
131 1HB ASP 17 2HB ASP 17 4.369 5.780 5.293
132 2HB ASP 17 3HB ASP 17 5.172 7.203 4.622
133 H GLY 18 HN GLY 18 1.430 6.167 4.879
134 1HA GLY 18 2HA GLY 18 0.110 5.970 3.110
135 2HA GLY 18 3HA GLY 18 0.328 7.676 2.714
136 H ASP 19 HN ASP 19 0.480 7.127 0.504
137 HA ASP 19 HA ASP 19 3.196 6.626 -0.371
138 1HB ASP 19 2HB ASP 19 1.115 4.585 -0.791
139 2HB ASP 19 3HB ASP 19 1.762 5.145 -2.314
140 HA PRO 20 HA PRO 20 0.423 10.041 -1.915
141 1HB PRO 20 2HB PRO 20 2.184 12.156 -1.564
142 2HB PRO 20 3HB PRO 20 1.023 11.563 -0.338
143 1HG PRO 20 2HG PRO 20 3.961 10.893 -0.606
144 2HG PRO 20 3HG PRO 20 3.059 11.313 0.881
145 1HD PRO 20 2HD PRO 20 3.613 8.748 0.267
146 2HD PRO 20 3HD PRO 20 2.019 9.182 0.947
147 H ASP 21 HN ASP 21 3.898 9.398 -2.628
148 HA ASP 21 HA ASP 21 4.164 10.752 -5.018
149 1HB ASP 21 2HB ASP 21 5.301 8.089 -4.031
150 2HB ASP 21 3HB ASP 21 5.939 9.024 -5.385
151 H ASN 22 HN ASN 22 2.450 7.822 -4.244
152 HA ASN 22 HA ASN 22 2.052 7.043 -7.081
153 1HB ASN 22 2HB ASN 22 1.269 5.574 -4.550
154 2HB ASN 22 3HB ASN 22 1.333 4.925 -6.184
155 1HD2 ASN 22 2HND ASN 22 4.664 5.177 -3.791
156 2HD2 ASN 22 1HND ASN 22 3.238 6.063 -3.414
157 H GLY 23 HN GLY 23 0.450 8.259 -4.270
158 1HA GLY 23 2HA GLY 23 -1.321 9.842 -5.085
159 2HA GLY 23 3HA GLY 23 -2.156 8.433 -5.749
160 H VAL 24 HN VAL 24 -0.651 7.683 -2.724
161 HA VAL 24 HA VAL 24 -3.330 7.800 -1.377
162 HB VAL 24 HB VAL 24 -0.920 6.002 -1.138
163 1HG1 VAL 24 2HG1 VAL 24 -3.344 6.224 0.666
164 2HG1 VAL 24 3HG1 VAL 24 -2.307 4.786 0.584
165 3HG1 VAL 24 1HG1 VAL 24 -1.629 6.324 1.148
166 1HG2 VAL 24 2HG2 VAL 24 -2.745 5.633 -2.921
167 2HG2 VAL 24 3HG2 VAL 24 -2.525 4.286 -1.775
168 3HG2 VAL 24 1HG2 VAL 24 -3.892 5.406 -1.600
169 H ASN 25 HN ASN 25 -3.514 9.456 -0.024
170 HA ASN 25 HA ASN 25 -1.283 11.045 0.830
171 1HB ASN 25 2HB ASN 25 -4.242 10.930 1.524
172 2HB ASN 25 3HB ASN 25 -3.151 11.924 2.476
173 1HD2 ASN 25 2HND ASN 25 -3.658 12.987 -1.484
174 2HD2 ASN 25 1HND ASN 25 -3.788 11.297 -1.062
175 HA PRO 26 HA PRO 26 -0.132 8.895 4.583
176 1HB PRO 26 2HB PRO 26 0.318 11.017 6.336
177 2HB PRO 26 3HB PRO 26 1.476 10.342 5.173
178 1HG PRO 26 2HG PRO 26 -0.251 12.797 4.907
179 2HG PRO 26 3HG PRO 26 1.427 12.534 4.329
180 1HD PRO 26 2HD PRO 26 -0.774 12.433 2.687
181 2HD PRO 26 3HD PRO 26 0.693 11.452 2.395
182 H GLY 27 HN GLY 27 -1.060 8.197 6.422
183 1HA GLY 27 2HA GLY 27 -2.609 7.899 8.059
184 2HA GLY 27 3HA GLY 27 -3.373 9.454 7.679
185 H THR 28 HN THR 28 -2.914 7.173 4.916
186 HA THR 28 HA THR 28 -5.848 6.883 4.907
187 HB THR 28 HB THR 28 -3.677 6.167 2.895
188 HG1 THR 28 HG1 THR 28 -3.930 8.369 2.959
189 1HG2 THR 28 1HG2 THR 28 -6.729 6.112 2.766
190 2HG2 THR 28 2HG2 THR 28 -5.659 5.966 1.348
191 3HG2 THR 28 3HG2 THR 28 -5.603 4.743 2.631
192 H ASP 29 HN ASP 29 -6.649 5.180 5.846
193 HA ASP 29 HA ASP 29 -5.199 2.923 6.767
194 1HB ASP 29 2HB ASP 29 -7.537 3.741 7.426
195 2HB ASP 29 3HB ASP 29 -8.119 2.990 5.957
196 H PHE 30 HN PHE 30 -4.729 1.039 5.792
197 HA PHE 30 HA PHE 30 -4.499 0.701 3.011
198 1HB PHE 30 2HB PHE 30 -3.534 -0.658 5.043
199 2HB PHE 30 3HB PHE 30 -5.015 -1.614 4.932
200 HD1 PHE 30 HD2 PHE 30 -2.334 -0.118 2.864
201 HD2 PHE 30 HD1 PHE 30 -5.106 -3.364 3.167
202 HE1 PHE 30 HE2 PHE 30 -1.107 -1.273 1.057
203 HE2 PHE 30 HE1 PHE 30 -4.039 -4.424 1.197
204 HZ PHE 30 HZ PHE 30 -1.858 -3.480 0.365
205 H LYS 31 HN LYS 31 -7.346 0.185 5.163
206 HA LYS 31 HA LYS 31 -8.668 -1.459 3.155
207 1HB LYS 31 2HB LYS 31 -10.602 -1.340 4.479
208 2HB LYS 31 3HB LYS 31 -9.199 -1.532 5.552
209 1HG LYS 31 2HG LYS 31 -9.202 1.033 5.736
210 2HG LYS 31 3HG LYS 31 -10.738 0.986 4.894
211 1HD LYS 31 2HD LYS 31 -11.642 -0.477 6.709
212 2HD LYS 31 3HD LYS 31 -10.054 -0.416 7.496
213 1HE LYS 31 2HE LYS 31 -11.601 1.211 8.575
214 2HE LYS 31 3HE LYS 31 -10.219 2.018 7.828
215 1HZ LYS 31 3HNZ LYS 31 -11.601 2.598 5.947
216 2HZ LYS 31 1HNZ LYS 31 -12.907 1.895 6.629
217 3HZ LYS 31 2HNZ LYS 31 -12.169 3.210 7.312
218 H ASP 32 HN ASP 32 -8.381 1.971 3.842
219 HA ASP 32 HA ASP 32 -10.586 2.786 2.110
220 1HB ASP 32 2HB ASP 32 -8.567 4.289 3.838
221 2HB ASP 32 3HB ASP 32 -9.836 5.070 2.916
222 H ILE 33 HN ILE 33 -7.185 2.044 1.666
223 HA ILE 33 HA ILE 33 -6.507 3.844 -0.287
224 HB ILE 33 HB ILE 33 -5.927 0.923 0.013
225 1HG1 ILE 33 2HG1 ILE 33 -4.600 3.504 0.872
226 2HG1 ILE 33 3HG1 ILE 33 -5.189 2.274 1.907
227 1HG2 ILE 33 1HG2 ILE 33 -5.425 1.679 -2.271
228 2HG2 ILE 33 2HG2 ILE 33 -4.305 2.861 -1.540
229 3HG2 ILE 33 3HG2 ILE 33 -4.060 1.103 -1.314
230 1HD1 ILE 33 1HD1 ILE 33 -3.442 0.704 0.820
231 2HD1 ILE 33 2HD1 ILE 33 -2.688 2.201 0.206
232 3HD1 ILE 33 3HD1 ILE 33 -2.896 1.954 1.947
233 HA PRO 34 HA PRO 34 -9.611 2.731 -3.392
234 1HB PRO 34 2HB PRO 34 -7.956 3.668 -5.568
235 2HB PRO 34 3HB PRO 34 -9.350 4.493 -4.834
236 1HG PRO 34 2HG PRO 34 -6.573 5.198 -4.647
237 2HG PRO 34 3HG PRO 34 -7.932 5.933 -3.756
238 1HD PRO 34 2HD PRO 34 -5.914 3.989 -2.788
239 2HD PRO 34 3HD PRO 34 -7.015 5.031 -1.862
240 H ASP 35 HN ASP 35 -9.913 0.836 -4.666
241 HA ASP 35 HA ASP 35 -7.850 -1.111 -4.723
242 1HB ASP 35 2HB ASP 35 -10.720 -0.824 -5.510
243 2HB ASP 35 3HB ASP 35 -9.780 -1.930 -6.477
244 H ASP 36 HN ASP 36 -8.431 1.562 -6.866
245 HA ASP 36 HA ASP 36 -7.099 0.364 -9.142
246 1HB ASP 36 2HB ASP 36 -7.223 2.627 -10.043
247 2HB ASP 36 3HB ASP 36 -8.799 2.102 -9.443
248 H TRP 37 HN TRP 37 -6.013 1.594 -6.117
249 HA TRP 37 HA TRP 37 -3.592 2.847 -7.059
250 1HB TRP 37 2HB TRP 37 -4.531 3.403 -4.897
251 2HB TRP 37 3HB TRP 37 -4.403 1.727 -4.384
252 HD1 TRP 37 HD TRP 37 -2.047 4.707 -5.022
253 HE1 TRP 37 HNE TRP 37 0.049 4.332 -3.582
254 HE3 TRP 37 HE TRP 37 -2.891 -0.072 -3.665
255 HZ2 TRP 37 HZ1 TRP 37 1.190 2.202 -1.988
256 HZ3 TRP 37 HZ2 TRP 37 -1.270 -1.328 -2.200
257 HH2 TRP 37 HH TRP 37 0.767 -0.176 -1.361
258 H VAL 38 HN VAL 38 -1.470 2.093 -6.851
259 HA VAL 38 HA VAL 38 -1.084 -0.853 -7.127
260 HB VAL 38 HB VAL 38 -0.030 1.452 -8.815
261 1HG1 VAL 38 3HG1 VAL 38 0.733 -1.491 -8.893
262 2HG1 VAL 38 1HG1 VAL 38 1.109 -0.303 -10.163
263 3HG1 VAL 38 2HG1 VAL 38 1.806 -0.110 -8.557
264 1HG2 VAL 38 2HG2 VAL 38 -1.767 -0.973 -9.482
265 2HG2 VAL 38 3HG2 VAL 38 -2.310 0.716 -9.422
266 3HG2 VAL 38 1HG2 VAL 38 -1.158 0.210 -10.659
267 H CYS 39 HN CYN 39 0.930 -1.641 -6.522
268 HA CYS 39 HA CYN 39 1.998 -0.709 -4.135
269 1HB CYS 39 2HB CYN 39 2.045 -3.011 -4.890
270 2HB CYS 39 3HB CYN 39 3.086 -2.578 -6.252
271 HA PRO 40 HA PRO 40 4.970 2.370 -5.606
272 1HB PRO 40 2HB PRO 40 6.766 2.369 -3.524
273 2HB PRO 40 3HB PRO 40 5.155 3.133 -3.430
274 1HG PRO 40 2HG PRO 40 5.890 0.345 -2.506
275 2HG PRO 40 3HG PRO 40 5.058 1.625 -1.565
276 1HD PRO 40 2HD PRO 40 3.682 -0.304 -2.792
277 2HD PRO 40 3HD PRO 40 3.093 1.378 -2.905
278 H LEU 41 HN LEU 41 6.359 1.900 -7.184
279 HA LEU 41 HA LEU 41 8.017 0.997 -8.416
280 1HB LEU 41 2HB LEU 41 9.033 0.419 -5.634
281 2HB LEU 41 3HB LEU 41 9.820 -0.408 -6.946
282 HG LEU 41 HG LEU 41 10.885 1.693 -6.201
283 1HD1 LEU 41 2HD1 LEU 41 11.388 0.662 -8.362
284 2HD1 LEU 41 3HD1 LEU 41 10.088 1.589 -9.140
285 3HD1 LEU 41 1HD1 LEU 41 11.492 2.429 -8.450
286 1HD2 LEU 41 2HD2 LEU 41 8.842 3.069 -5.878
287 2HD2 LEU 41 3HD2 LEU 41 10.048 3.849 -6.914
288 3HD2 LEU 41 1HD2 LEU 41 8.609 3.121 -7.638
289 H CYS 42 HN CYN 42 5.461 -0.612 -7.788
290 HA CYS 42 HA CYN 42 6.411 -2.928 -9.307
291 1HB CYS 42 2HB CYN 42 6.741 -4.039 -7.421
292 2HB CYS 42 3HB CYN 42 5.714 -3.001 -6.458
293 H GLY 43 HN GLY 43 4.156 -4.301 -9.638
294 1HA GLY 43 2HA GLY 43 2.184 -2.343 -10.739
295 2HA GLY 43 3HA GLY 43 3.180 -3.282 -11.854
296 H VAL 44 HN VAL 44 0.927 -3.583 -9.103
297 HA VAL 44 HA VAL 44 -0.347 -5.888 -10.412
298 HB VAL 44 HB VAL 44 1.361 -6.910 -9.108
299 1HG1 VAL 44 3HG1 VAL 44 1.531 -5.066 -7.285
300 2HG1 VAL 44 1HG1 VAL 44 0.254 -5.995 -6.461
301 3HG1 VAL 44 2HG1 VAL 44 1.788 -6.757 -6.849
302 1HG2 VAL 44 2HG2 VAL 44 -0.785 -8.068 -9.325
303 2HG2 VAL 44 3HG2 VAL 44 0.020 -8.466 -7.795
304 3HG2 VAL 44 1HG2 VAL 44 -1.352 -7.341 -7.804
305 H GLY 45 HN GLY 45 -0.660 -4.440 -7.122
306 1HA GLY 45 2HA GLY 45 -2.684 -2.672 -7.237
307 2HA GLY 45 3HA GLY 45 -3.533 -4.210 -7.502
308 H LYS 46 HN LYS 46 -3.922 -2.696 -5.113
309 HA LYS 46 HA LYS 46 -2.338 -3.694 -2.928
310 1HB LYS 46 2HB LYS 46 -4.167 -2.956 -1.493
311 2HB LYS 46 3HB LYS 46 -3.693 -1.713 -2.629
312 1HG LYS 46 2HG LYS 46 -5.641 -2.304 -4.103
313 2HG LYS 46 3HG LYS 46 -6.145 -3.510 -2.907
314 1HD LYS 46 2HD LYS 46 -6.013 -0.499 -2.592
315 2HD LYS 46 3HD LYS 46 -7.434 -1.540 -2.670
316 1HE LYS 46 2HE LYS 46 -6.303 -2.723 -0.553
317 2HE LYS 46 3HE LYS 46 -5.513 -1.173 -0.398
318 1HZ LYS 46 3HNZ LYS 46 -7.850 -0.188 -0.617
319 2HZ LYS 46 1HNZ LYS 46 -8.432 -1.697 -0.411
320 3HZ LYS 46 2HNZ LYS 46 -7.510 -0.979 0.784
321 H ASP 47 HN ASP 47 -4.612 -5.310 -4.890
322 HA ASP 47 HA ASP 47 -6.256 -6.830 -4.560
323 1HB ASP 47 2HB ASP 47 -3.569 -8.177 -4.082
324 2HB ASP 47 3HB ASP 47 -5.052 -8.987 -4.620
325 H GLN 48 HN GLN 48 -4.195 -8.402 -2.208
326 HA GLN 48 HA GLN 48 -5.628 -7.318 0.004
327 1HB GLN 48 2HB GLN 48 -6.969 -9.500 -1.010
328 2HB GLN 48 3HB GLN 48 -5.915 -10.299 0.140
329 1HG GLN 48 2HG GLN 48 -6.799 -8.200 1.687
330 2HG GLN 48 3HG GLN 48 -8.141 -8.317 0.543
331 1HE2 GLN 48 2HNE GLN 48 -7.326 -11.392 3.206
332 2HE2 GLN 48 1HNE GLN 48 -6.035 -10.330 2.659
333 H PHE 49 HN PHE 49 -3.285 -6.754 -0.322
334 HA PHE 49 HA PHE 49 -1.075 -8.257 0.436
335 1HB PHE 49 2HB PHE 49 -1.951 -5.465 1.181
336 2HB PHE 49 3HB PHE 49 -0.381 -5.944 1.559
337 HD1 PHE 49 HD1 PHE 49 -1.379 -7.420 -1.647
338 HD2 PHE 49 HD2 PHE 49 0.477 -4.018 0.292
339 HE1 PHE 49 HE1 PHE 49 -0.519 -6.647 -3.793
340 HE2 PHE 49 HE2 PHE 49 1.207 -3.191 -1.933
341 HZ PHE 49 HZ PHE 49 0.669 -4.501 -3.969
342 H GLU 50 HN GLU 50 0.128 -8.387 2.522
343 HA GLU 50 HA GLU 50 -1.765 -9.542 4.524
344 1HB GLU 50 2HB GLU 50 1.208 -9.864 3.977
345 2HB GLU 50 3HB GLU 50 0.462 -10.404 5.478
346 1HG GLU 50 2HG GLU 50 -1.071 -11.867 4.175
347 2HG GLU 50 3HG GLU 50 -0.332 -11.298 2.664
348 H GLU 51 HN GLU 51 -1.588 -8.857 6.802
349 HA GLU 51 HA GLU 51 -0.931 -6.047 7.079
350 1HB GLU 51 2HB GLU 51 -2.946 -7.000 8.077
351 2HB GLU 51 3HB GLU 51 -1.998 -8.255 8.905
352 1HG GLU 51 2HG GLU 51 -0.922 -6.691 10.257
353 2HG GLU 51 3HG GLU 51 -1.677 -5.288 9.479
354 H VAL 52 HN VAL 52 0.797 -5.242 8.285
355 HA VAL 52 HA VAL 52 2.995 -7.089 9.052
356 HB VAL 52 HB VAL 52 2.825 -4.263 7.938
357 1HG1 VAL 52 1HG1 VAL 52 5.177 -5.538 9.389
358 2HG1 VAL 52 2HG1 VAL 52 5.244 -4.038 8.423
359 3HG1 VAL 52 3HG1 VAL 52 4.250 -4.103 9.886
360 1HG2 VAL 52 1HG2 VAL 52 3.034 -6.188 6.395
361 2HG2 VAL 52 2HG2 VAL 52 4.348 -4.993 6.343
362 3HG2 VAL 52 3HG2 VAL 52 4.601 -6.568 7.144
363 H GLU 53 HN GLU 53 2.741 -7.445 11.193
364 HA GLU 53 HA GLU 53 1.318 -5.775 12.965
365 1HB GLU 53 2HB GLU 53 2.049 -7.402 14.604
366 2HB GLU 53 3HB GLU 53 1.310 -8.140 13.186
367 1HG GLU 53 2HG GLU 53 3.655 -8.722 12.360
368 2HG GLU 53 3HG GLU 53 4.285 -8.088 13.879
369 H GLU 54 HN GLU 54 2.771 -3.974 12.176
370 HA GLU 54 HA GLU 54 4.695 -3.258 14.356
371 1HB GLU 54 2HB GLU 54 4.146 -1.808 11.744
372 2HB GLU 54 3HB GLU 54 5.140 -1.221 13.082
373 1HG GLU 54 2HG GLU 54 6.257 -3.737 12.529
374 2HG GLU 54 3HG GLU 54 5.869 -3.099 10.929
No H/Q in entry = 374
Start of MODEL 10
1 1H MET 1 2HN MET 1 -5.560 -1.314 9.806
2 2H MET 1 3HN MET 1 -6.332 0.108 9.351
3 3H MET 1 1HN MET 1 -5.114 -0.508 8.476
4 HA MET 1 HA MET 1 -4.843 0.515 11.227
5 1HB MET 1 2HB MET 1 -3.091 2.054 9.946
6 2HB MET 1 3HB MET 1 -3.984 1.563 8.530
7 1HG MET 1 2HG MET 1 -6.049 2.475 9.807
8 2HG MET 1 3HG MET 1 -4.904 3.079 11.001
9 1HE MET 1 2HE MET 1 -6.955 5.030 9.744
10 2HE MET 1 3HE MET 1 -5.656 5.566 10.845
11 3HE MET 1 1HE MET 1 -5.926 6.414 9.308
12 H LYS 2 HN LYS 2 -2.277 0.901 11.359
13 HA LYS 2 HA LYS 2 -0.163 0.157 11.500
14 1HB LYS 2 2HB LYS 2 -1.194 -2.639 11.099
15 2HB LYS 2 3HB LYS 2 0.285 -2.115 11.926
16 1HG LYS 2 2HG LYS 2 -1.122 -0.999 13.675
17 2HG LYS 2 3HG LYS 2 -2.570 -1.708 12.870
18 1HD LYS 2 2HD LYS 2 -1.123 -3.899 12.897
19 2HD LYS 2 3HD LYS 2 -0.251 -3.102 14.215
20 1HE LYS 2 2HE LYS 2 -3.284 -3.538 14.032
21 2HE LYS 2 3HE LYS 2 -2.200 -4.698 14.800
22 1HZ LYS 2 1HNZ LYS 2 -2.541 -1.887 15.631
23 2HZ LYS 2 2HNZ LYS 2 -3.172 -3.196 16.417
24 3HZ LYS 2 3HNZ LYS 2 -1.537 -2.974 16.349
25 H LYS 3 HN LYS 3 1.492 -1.387 10.380
26 HA LYS 3 HA LYS 3 1.531 -0.544 7.603
27 1HB LYS 3 2HB LYS 3 3.428 -2.233 9.253
28 2HB LYS 3 3HB LYS 3 3.752 -1.556 7.651
29 1HG LYS 3 2HG LYS 3 3.295 0.728 8.515
30 2HG LYS 3 3HG LYS 3 3.066 0.093 10.123
31 1HD LYS 3 2HD LYS 3 5.453 -0.982 9.817
32 2HD LYS 3 3HD LYS 3 5.639 0.207 8.519
33 1HE LYS 3 2HE LYS 3 5.202 2.050 10.125
34 2HE LYS 3 3HE LYS 3 4.809 0.887 11.399
35 1HZ LYS 3 1HNZ LYS 3 7.056 0.081 11.311
36 2HZ LYS 3 2HNZ LYS 3 7.469 1.181 10.178
37 3HZ LYS 3 3HNZ LYS 3 7.010 1.669 11.688
38 H TYR 4 HN TYR 4 2.215 -2.139 5.953
39 HA TYR 4 HA TYR 4 0.831 -4.765 6.206
40 1HB TYR 4 2HB TYR 4 0.096 -2.539 4.291
41 2HB TYR 4 3HB TYR 4 -0.221 -4.210 3.886
42 HD1 TYR 4 HD2 TYR 4 -1.159 -1.475 6.245
43 HD2 TYR 4 HD1 TYR 4 -1.941 -5.424 4.831
44 HE1 TYR 4 HE2 TYR 4 -3.291 -1.477 7.474
45 HE2 TYR 4 HE1 TYR 4 -3.876 -5.617 6.424
46 HH TYR 4 HOH TYR 4 -5.145 -4.463 8.013
47 H THR 5 HN THR 5 1.721 -6.401 4.802
48 HA THR 5 HA THR 5 4.150 -5.634 3.320
49 HB THR 5 HB THR 5 2.780 -8.341 3.321
50 HG1 THR 5 HG1 THR 5 4.422 -7.141 5.297
51 1HG2 THR 5 2HG2 THR 5 5.710 -7.466 3.149
52 2HG2 THR 5 3HG2 THR 5 5.122 -9.142 3.176
53 3HG2 THR 5 1HG2 THR 5 4.726 -8.093 1.809
54 H CYS 6 HN CYN 6 4.357 -5.645 1.041
55 HA CYS 6 HA CYN 6 1.987 -5.416 -0.622
56 1HB CYS 6 2HB CYN 6 4.107 -4.276 -1.052
57 2HB CYS 6 3HB CYN 6 4.898 -5.836 -1.250
58 H THR 7 HN THR 7 2.093 -6.962 -2.686
59 HA THR 7 HA THR 7 1.029 -9.407 -1.624
60 HB THR 7 HB THR 7 1.198 -8.285 -4.451
61 HG1 THR 7 HG1 THR 7 -0.022 -6.982 -3.210
62 1HG2 THR 7 1HG2 THR 7 -0.447 -10.601 -3.348
63 2HG2 THR 7 2HG2 THR 7 -0.780 -9.757 -4.876
64 3HG2 THR 7 3HG2 THR 7 0.728 -10.645 -4.685
65 H VAL 8 HN VAL 8 3.238 -9.188 -4.486
66 HA VAL 8 HA VAL 8 4.721 -11.599 -3.462
67 HB VAL 8 HB VAL 8 3.804 -10.833 -6.250
68 1HG1 VAL 8 2HG1 VAL 8 5.910 -12.910 -5.525
69 2HG1 VAL 8 3HG1 VAL 8 5.003 -12.900 -7.050
70 3HG1 VAL 8 1HG1 VAL 8 6.068 -11.555 -6.674
71 1HG2 VAL 8 3HG2 VAL 8 2.290 -12.202 -4.747
72 2HG2 VAL 8 1HG2 VAL 8 2.796 -13.059 -6.208
73 3HG2 VAL 8 2HG2 VAL 8 3.564 -13.421 -4.649
74 H CYS 9 HN CYN 9 4.964 -8.394 -3.592
75 HA CYS 9 HA CYN 9 7.588 -7.995 -4.810
76 1HB CYS 9 2HB CYN 9 5.487 -6.525 -4.739
77 2HB CYS 9 3HB CYN 9 5.912 -6.283 -3.030
78 H GLY 10 HN GLY 10 8.693 -6.275 -2.916
79 1HA GLY 10 2HA GLY 10 8.969 -7.786 -0.341
80 2HA GLY 10 3HA GLY 10 10.410 -7.387 -1.289
81 H TYR 11 HN TYR 11 7.370 -5.577 -0.599
82 HA TYR 11 HA TYR 11 8.914 -3.508 0.869
83 1HB TYR 11 2HB TYR 11 7.131 -3.079 -1.552
84 2HB TYR 11 3HB TYR 11 7.374 -1.821 -0.351
85 HD1 TYR 11 HD2 TYR 11 9.192 -3.977 -2.796
86 HD2 TYR 11 HD1 TYR 11 9.373 -0.515 -0.239
87 HE1 TYR 11 HE2 TYR 11 11.367 -3.376 -3.782
88 HE2 TYR 11 HE1 TYR 11 11.564 0.092 -1.230
89 HH TYR 11 HOH TYR 11 13.128 -1.905 -3.746
90 H ILE 12 HN ILE 12 7.588 -2.112 2.131
91 HA ILE 12 HA ILE 12 5.102 -3.371 3.116
92 HB ILE 12 HB ILE 12 7.546 -2.437 4.611
93 1HG1 ILE 12 2HG1 ILE 12 5.513 -4.667 5.069
94 2HG1 ILE 12 3HG1 ILE 12 6.948 -4.846 4.060
95 1HG2 ILE 12 2HG2 ILE 12 4.722 -2.333 5.740
96 2HG2 ILE 12 3HG2 ILE 12 6.196 -2.244 6.720
97 3HG2 ILE 12 1HG2 ILE 12 5.837 -0.956 5.595
98 1HD1 ILE 12 1HD1 ILE 12 8.409 -4.402 5.995
99 2HD1 ILE 12 2HD1 ILE 12 6.983 -4.291 7.053
100 3HD1 ILE 12 3HD1 ILE 12 7.357 -5.811 6.235
101 H TYR 13 HN TYR 13 3.434 -2.092 3.132
102 HA TYR 13 HA TYR 13 3.572 0.756 2.385
103 1HB TYR 13 2HB TYR 13 1.829 -0.668 1.454
104 2HB TYR 13 3HB TYR 13 1.356 -1.202 3.067
105 HD1 TYR 13 HD2 TYR 13 0.148 0.353 4.629
106 HD2 TYR 13 HD1 TYR 13 0.772 1.227 0.488
107 HE1 TYR 13 HE2 TYR 13 -1.437 2.247 4.758
108 HE2 TYR 13 HE1 TYR 13 -0.359 3.425 0.779
109 HH TYR 13 HOH TYR 13 -2.261 4.217 3.693
110 H ASN 14 HN ASN 14 3.229 2.408 3.879
111 HA ASN 14 HA ASN 14 2.707 1.680 6.717
112 1HB ASN 14 2HB ASN 14 5.121 2.302 6.335
113 2HB ASN 14 3HB ASN 14 4.577 3.859 5.723
114 1HD2 ASN 14 2HND ASN 14 5.355 4.529 9.214
115 2HD2 ASN 14 1HND ASN 14 5.964 4.607 7.565
116 HA PRO 15 HA PRO 15 -0.622 4.305 5.460
117 1HB PRO 15 2HB PRO 15 -2.071 4.300 7.885
118 2HB PRO 15 3HB PRO 15 -2.236 3.087 6.609
119 1HG PRO 15 2HG PRO 15 -0.821 2.849 9.194
120 2HG PRO 15 3HG PRO 15 -1.524 1.616 8.101
121 1HD PRO 15 2HD PRO 15 1.211 2.245 8.417
122 2HD PRO 15 3HD PRO 15 0.566 1.235 7.138
123 H GLU 16 HN GLU 16 1.108 4.842 8.537
124 HA GLU 16 HA GLU 16 0.170 7.481 8.941
125 1HB GLU 16 2HB GLU 16 2.801 6.161 9.704
126 2HB GLU 16 3HB GLU 16 2.177 7.690 10.301
127 1HG GLU 16 2HG GLU 16 0.013 6.247 10.909
128 2HG GLU 16 3HG GLU 16 1.131 4.876 10.796
129 H ASP 17 HN ASP 17 2.532 6.145 6.752
130 HA ASP 17 HA ASP 17 3.669 8.814 6.025
131 1HB ASP 17 2HB ASP 17 4.222 5.973 5.137
132 2HB ASP 17 3HB ASP 17 5.004 7.384 4.425
133 H GLY 18 HN GLY 18 1.469 6.256 4.880
134 1HA GLY 18 2HA GLY 18 0.278 5.986 3.033
135 2HA GLY 18 3HA GLY 18 0.263 7.739 2.769
136 H ASP 19 HN ASP 19 0.472 7.242 0.516
137 HA ASP 19 HA ASP 19 3.261 7.280 -0.302
138 1HB ASP 19 2HB ASP 19 1.953 5.768 -2.350
139 2HB ASP 19 3HB ASP 19 3.432 5.409 -1.431
140 HA PRO 20 HA PRO 20 0.189 10.424 -1.833
141 1HB PRO 20 2HB PRO 20 1.874 12.625 -1.518
142 2HB PRO 20 3HB PRO 20 0.677 12.041 -0.319
143 1HG PRO 20 2HG PRO 20 3.645 11.504 -0.426
144 2HG PRO 20 3HG PRO 20 2.644 11.873 1.008
145 1HD PRO 20 2HD PRO 20 3.404 9.350 0.423
146 2HD PRO 20 3HD PRO 20 1.768 9.657 1.057
147 H ASP 21 HN ASP 21 3.627 9.792 -2.524
148 HA ASP 21 HA ASP 21 3.870 11.167 -4.947
149 1HB ASP 21 2HB ASP 21 5.156 8.606 -3.865
150 2HB ASP 21 3HB ASP 21 5.708 9.488 -5.285
151 H ASN 22 HN ASN 22 2.295 8.075 -4.111
152 HA ASN 22 HA ASN 22 2.020 7.334 -6.968
153 1HB ASN 22 2HB ASN 22 1.349 5.735 -4.470
154 2HB ASN 22 3HB ASN 22 1.448 5.151 -6.119
155 1HD2 ASN 22 2HND ASN 22 4.911 5.796 -3.982
156 2HD2 ASN 22 1HND ASN 22 3.378 6.455 -3.432
157 H GLY 23 HN GLY 23 0.355 8.567 -4.231
158 1HA GLY 23 2HA GLY 23 -1.531 9.968 -5.019
159 2HA GLY 23 3HA GLY 23 -2.261 8.513 -5.709
160 H VAL 24 HN VAL 24 -0.670 7.910 -2.675
161 HA VAL 24 HA VAL 24 -3.323 7.713 -1.326
162 HB VAL 24 HB VAL 24 -0.754 6.192 -1.101
163 1HG1 VAL 24 2HG1 VAL 24 -3.239 6.109 0.632
164 2HG1 VAL 24 3HG1 VAL 24 -2.079 4.778 0.525
165 3HG1 VAL 24 1HG1 VAL 24 -1.547 6.342 1.159
166 1HG2 VAL 24 1HG2 VAL 24 -2.377 5.619 -2.964
167 2HG2 VAL 24 2HG2 VAL 24 -2.210 4.301 -1.779
168 3HG2 VAL 24 3HG2 VAL 24 -3.637 5.355 -1.750
169 H ASN 25 HN ASN 25 -3.646 9.387 0.027
170 HA ASN 25 HA ASN 25 -1.505 11.067 0.933
171 1HB ASN 25 2HB ASN 25 -4.468 10.802 1.562
172 2HB ASN 25 3HB ASN 25 -3.457 11.822 2.574
173 1HD2 ASN 25 2HND ASN 25 -3.811 12.942 -1.389
174 2HD2 ASN 25 1HND ASN 25 -3.774 11.238 -1.011
175 HA PRO 26 HA PRO 26 -0.250 8.949 4.638
176 1HB PRO 26 2HB PRO 26 0.036 11.078 6.441
177 2HB PRO 26 3HB PRO 26 1.261 10.484 5.302
178 1HG PRO 26 2HG PRO 26 -0.542 12.860 5.037
179 2HG PRO 26 3HG PRO 26 1.136 12.617 4.441
180 1HD PRO 26 2HD PRO 26 -1.127 12.479 2.841
181 2HD PRO 26 3HD PRO 26 0.388 11.598 2.488
182 H GLY 27 HN GLY 27 -1.131 8.146 6.413
183 1HA GLY 27 2HA GLY 27 -2.662 7.653 8.060
184 2HA GLY 27 3HA GLY 27 -3.505 9.186 7.763
185 H THR 28 HN THR 28 -2.942 7.014 4.941
186 HA THR 28 HA THR 28 -5.864 6.542 4.929
187 HB THR 28 HB THR 28 -3.650 6.063 2.884
188 HG1 THR 28 HG1 THR 28 -4.026 8.227 3.005
189 1HG2 THR 28 1HG2 THR 28 -6.681 5.831 2.710
190 2HG2 THR 28 2HG2 THR 28 -5.577 5.794 1.309
191 3HG2 THR 28 3HG2 THR 28 -5.475 4.530 2.550
192 H ASP 29 HN ASP 29 -6.593 4.715 5.731
193 HA ASP 29 HA ASP 29 -4.936 2.515 6.538
194 1HB ASP 29 2HB ASP 29 -7.271 3.152 7.335
195 2HB ASP 29 3HB ASP 29 -7.885 2.464 5.852
196 H PHE 30 HN PHE 30 -4.392 0.734 5.419
197 HA PHE 30 HA PHE 30 -4.230 0.552 2.644
198 1HB PHE 30 2HB PHE 30 -3.262 -0.874 4.607
199 2HB PHE 30 3HB PHE 30 -4.660 -1.917 4.345
200 HD1 PHE 30 HD2 PHE 30 -5.003 -2.712 1.801
201 HD2 PHE 30 HD1 PHE 30 -1.349 -1.082 3.383
202 HE1 PHE 30 HE2 PHE 30 -3.760 -3.531 -0.177
203 HE2 PHE 30 HE1 PHE 30 -0.095 -2.060 1.465
204 HZ PHE 30 HZ PHE 30 -1.311 -3.277 -0.269
205 H LYS 31 HN LYS 31 -7.025 -0.216 4.791
206 HA LYS 31 HA LYS 31 -8.340 -1.756 2.697
207 1HB LYS 31 2HB LYS 31 -10.205 -1.858 4.124
208 2HB LYS 31 3HB LYS 31 -8.741 -2.027 5.119
209 1HG LYS 31 2HG LYS 31 -8.883 0.518 5.466
210 2HG LYS 31 3HG LYS 31 -10.448 0.431 4.687
211 1HD LYS 31 2HD LYS 31 -11.160 -1.214 6.454
212 2HD LYS 31 3HD LYS 31 -9.543 -1.080 7.168
213 1HE LYS 31 2HE LYS 31 -11.206 0.351 8.390
214 2HE LYS 31 3HE LYS 31 -9.858 1.275 7.715
215 1HZ LYS 31 1HNZ LYS 31 -12.506 1.090 6.438
216 2HZ LYS 31 2HNZ LYS 31 -11.936 2.375 7.306
217 3HZ LYS 31 3HNZ LYS 31 -11.247 1.974 5.905
218 H ASP 32 HN ASP 32 -8.131 1.627 3.599
219 HA ASP 32 HA ASP 32 -10.444 2.486 2.030
220 1HB ASP 32 2HB ASP 32 -8.356 3.986 3.674
221 2HB ASP 32 3HB ASP 32 -9.735 4.733 2.883
222 H ILE 33 HN ILE 33 -7.007 1.908 1.469
223 HA ILE 33 HA ILE 33 -6.429 3.778 -0.462
224 HB ILE 33 HB ILE 33 -5.763 0.883 -0.192
225 1HG1 ILE 33 2HG1 ILE 33 -4.461 3.463 0.650
226 2HG1 ILE 33 3HG1 ILE 33 -5.001 2.210 1.682
227 1HG2 ILE 33 1HG2 ILE 33 -5.332 1.639 -2.502
228 2HG2 ILE 33 2HG2 ILE 33 -4.231 2.865 -1.805
229 3HG2 ILE 33 3HG2 ILE 33 -3.916 1.120 -1.608
230 1HD1 ILE 33 1HD1 ILE 33 -3.266 0.659 0.519
231 2HD1 ILE 33 2HD1 ILE 33 -2.551 2.187 -0.075
232 3HD1 ILE 33 3HD1 ILE 33 -2.716 1.876 1.666
233 HA PRO 34 HA PRO 34 -9.490 2.524 -3.570
234 1HB PRO 34 2HB PRO 34 -8.068 3.623 -5.791
235 2HB PRO 34 3HB PRO 34 -9.373 4.379 -4.849
236 1HG PRO 34 2HG PRO 34 -6.520 5.036 -4.867
237 2HG PRO 34 3HG PRO 34 -7.833 5.859 -3.979
238 1HD PRO 34 2HD PRO 34 -5.846 3.953 -2.973
239 2HD PRO 34 3HD PRO 34 -6.965 4.966 -2.048
240 H ASP 35 HN ASP 35 -9.645 0.643 -4.840
241 HA ASP 35 HA ASP 35 -7.411 -1.108 -5.010
242 1HB ASP 35 2HB ASP 35 -10.324 -1.048 -5.781
243 2HB ASP 35 3HB ASP 35 -9.276 -2.166 -6.601
244 H ASP 36 HN ASP 36 -8.262 1.539 -6.942
245 HA ASP 36 HA ASP 36 -7.065 0.733 -9.427
246 1HB ASP 36 2HB ASP 36 -8.528 2.916 -8.491
247 2HB ASP 36 3HB ASP 36 -6.945 3.520 -9.021
248 H TRP 37 HN TRP 37 -5.777 1.563 -6.340
249 HA TRP 37 HA TRP 37 -3.391 2.913 -7.157
250 1HB TRP 37 2HB TRP 37 -4.297 3.121 -4.914
251 2HB TRP 37 3HB TRP 37 -4.181 1.391 -4.679
252 HD1 TRP 37 HD TRP 37 -1.828 4.438 -4.781
253 HE1 TRP 37 HNE TRP 37 0.112 3.893 -3.140
254 HE3 TRP 37 HE TRP 37 -2.724 -0.527 -4.117
255 HZ2 TRP 37 HZ1 TRP 37 1.259 1.548 -1.955
256 HZ3 TRP 37 HZ2 TRP 37 -1.144 -1.933 -2.780
257 HH2 TRP 37 HH TRP 37 0.826 -0.896 -1.680
258 H VAL 38 HN VAL 38 -1.255 2.168 -6.927
259 HA VAL 38 HA VAL 38 -0.682 -0.690 -7.479
260 HB VAL 38 HB VAL 38 1.095 0.355 -9.069
261 1HG1 VAL 38 3HG1 VAL 38 -0.702 -1.170 -9.780
262 2HG1 VAL 38 1HG1 VAL 38 -1.850 0.183 -9.845
263 3HG1 VAL 38 2HG1 VAL 38 -0.481 0.122 -10.973
264 1HG2 VAL 38 1HG2 VAL 38 0.546 2.752 -8.532
265 2HG2 VAL 38 2HG2 VAL 38 0.452 2.357 -10.258
266 3HG2 VAL 38 3HG2 VAL 38 -1.034 2.525 -9.320
267 H CYS 39 HN CYN 39 1.519 -1.342 -6.919
268 HA CYS 39 HA CYN 39 2.204 -0.130 -4.381
269 1HB CYS 39 2HB CYN 39 2.175 -2.481 -4.473
270 2HB CYS 39 3HB CYN 39 3.162 -2.533 -5.924
271 HA PRO 40 HA PRO 40 5.218 2.648 -6.103
272 1HB PRO 40 2HB PRO 40 7.057 2.824 -4.029
273 2HB PRO 40 3HB PRO 40 5.489 3.674 -4.090
274 1HG PRO 40 2HG PRO 40 6.108 1.054 -2.715
275 2HG PRO 40 3HG PRO 40 5.230 2.466 -2.045
276 1HD PRO 40 2HD PRO 40 3.893 0.359 -3.013
277 2HD PRO 40 3HD PRO 40 3.317 2.004 -3.410
278 H LEU 41 HN LEU 41 6.255 1.782 -7.738
279 HA LEU 41 HA LEU 41 7.972 0.979 -8.953
280 1HB LEU 41 2HB LEU 41 9.299 -0.274 -6.537
281 2HB LEU 41 3HB LEU 41 10.004 0.160 -8.086
282 HG LEU 41 HG LEU 41 9.079 2.094 -5.912
283 1HD1 LEU 41 2HD1 LEU 41 11.185 0.954 -5.428
284 2HD1 LEU 41 3HD1 LEU 41 11.834 1.438 -7.010
285 3HD1 LEU 41 1HD1 LEU 41 11.455 2.667 -5.786
286 1HD2 LEU 41 2HD2 LEU 41 10.274 2.689 -8.661
287 2HD2 LEU 41 3HD2 LEU 41 8.635 3.119 -8.123
288 3HD2 LEU 41 1HD2 LEU 41 10.036 3.874 -7.359
289 H CYS 42 HN CYN 42 5.474 -0.601 -7.867
290 HA CYS 42 HA CYN 42 6.222 -3.173 -9.156
291 1HB CYS 42 2HB CYN 42 6.785 -3.662 -7.013
292 2HB CYS 42 3HB CYN 42 5.520 -2.659 -6.332
293 H GLY 43 HN GLY 43 4.921 -2.948 -10.867
294 1HA GLY 43 2HA GLY 43 2.283 -1.721 -10.734
295 2HA GLY 43 3HA GLY 43 3.064 -2.465 -12.134
296 H VAL 44 HN VAL 44 2.123 -3.703 -8.903
297 HA VAL 44 HA VAL 44 0.631 -5.968 -10.190
298 HB VAL 44 HB VAL 44 1.844 -5.600 -7.425
299 1HG1 VAL 44 1HG1 VAL 44 -0.010 -7.807 -8.425
300 2HG1 VAL 44 2HG1 VAL 44 1.009 -7.924 -6.975
301 3HG1 VAL 44 3HG1 VAL 44 -0.285 -6.727 -7.040
302 1HG2 VAL 44 1HG2 VAL 44 3.375 -6.305 -9.256
303 2HG2 VAL 44 2HG2 VAL 44 3.123 -7.607 -8.087
304 3HG2 VAL 44 3HG2 VAL 44 2.283 -7.645 -9.649
305 H GLY 45 HN GLY 45 0.253 -4.118 -7.131
306 1HA GLY 45 2HA GLY 45 -1.760 -2.507 -7.113
307 2HA GLY 45 3HA GLY 45 -2.667 -3.902 -7.702
308 H LYS 46 HN LYS 46 -3.879 -3.677 -5.751
309 HA LYS 46 HA LYS 46 -2.638 -4.650 -3.228
310 1HB LYS 46 2HB LYS 46 -5.550 -4.094 -3.806
311 2HB LYS 46 3HB LYS 46 -4.716 -4.174 -2.233
312 1HG LYS 46 2HG LYS 46 -3.668 -2.015 -2.675
313 2HG LYS 46 3HG LYS 46 -4.382 -1.996 -4.314
314 1HD LYS 46 2HD LYS 46 -5.840 -0.645 -3.112
315 2HD LYS 46 3HD LYS 46 -6.655 -2.206 -3.232
316 1HE LYS 46 2HE LYS 46 -5.812 -2.757 -0.901
317 2HE LYS 46 3HE LYS 46 -5.180 -1.124 -0.824
318 1HZ LYS 46 3HNZ LYS 46 -7.513 -0.348 -1.224
319 2HZ LYS 46 1HNZ LYS 46 -8.028 -1.884 -1.139
320 3HZ LYS 46 2HNZ LYS 46 -7.290 -1.149 0.188
321 H ASP 47 HN ASP 47 -3.875 -6.560 -2.271
322 HA ASP 47 HA ASP 47 -5.714 -8.106 -3.797
323 1HB ASP 47 2HB ASP 47 -2.833 -8.974 -3.890
324 2HB ASP 47 3HB ASP 47 -3.989 -10.239 -3.449
325 H GLN 48 HN GLN 48 -3.246 -9.323 -1.640
326 HA GLN 48 HA GLN 48 -5.318 -10.102 0.328
327 1HB GLN 48 2HB GLN 48 -2.976 -11.330 -0.823
328 2HB GLN 48 3HB GLN 48 -2.696 -11.199 0.909
329 1HG GLN 48 2HG GLN 48 -5.234 -12.368 -0.325
330 2HG GLN 48 3HG GLN 48 -3.802 -13.322 0.093
331 1HE2 GLN 48 2HNE GLN 48 -5.948 -13.758 3.009
332 2HE2 GLN 48 1HNE GLN 48 -5.882 -14.296 1.336
333 H PHE 49 HN PHE 49 -2.084 -8.629 0.262
334 HA PHE 49 HA PHE 49 -0.925 -7.366 1.680
335 1HB PHE 49 2HB PHE 49 -2.050 -5.304 2.493
336 2HB PHE 49 3HB PHE 49 -2.134 -5.653 0.785
337 HD1 PHE 49 HD2 PHE 49 -4.248 -6.347 -0.301
338 HD2 PHE 49 HD1 PHE 49 -4.148 -5.297 3.855
339 HE1 PHE 49 HE2 PHE 49 -6.706 -6.026 -0.325
340 HE2 PHE 49 HE1 PHE 49 -6.583 -4.895 3.827
341 HZ PHE 49 HZ PHE 49 -7.877 -5.267 1.732
342 H GLU 50 HN GLU 50 -0.077 -8.561 3.284
343 HA GLU 50 HA GLU 50 -1.705 -9.509 5.533
344 1HB GLU 50 2HB GLU 50 1.264 -9.605 4.865
345 2HB GLU 50 3HB GLU 50 0.574 -10.313 6.310
346 1HG GLU 50 2HG GLU 50 -0.795 -11.857 5.015
347 2HG GLU 50 3HG GLU 50 -0.386 -11.052 3.494
348 H GLU 51 HN GLU 51 -1.644 -8.537 7.624
349 HA GLU 51 HA GLU 51 -0.852 -5.737 7.701
350 1HB GLU 51 2HB GLU 51 -3.001 -6.484 8.663
351 2HB GLU 51 3HB GLU 51 -2.160 -7.692 9.659
352 1HG GLU 51 2HG GLU 51 -1.090 -6.089 10.920
353 2HG GLU 51 3HG GLU 51 -1.664 -4.712 9.951
354 H VAL 52 HN VAL 52 0.938 -4.975 8.765
355 HA VAL 52 HA VAL 52 2.899 -6.893 9.892
356 HB VAL 52 HB VAL 52 3.015 -4.180 8.510
357 1HG1 VAL 52 3HG1 VAL 52 5.179 -5.552 10.149
358 2HG1 VAL 52 1HG1 VAL 52 5.441 -4.167 9.054
359 3HG1 VAL 52 2HG1 VAL 52 4.401 -3.983 10.471
360 1HG2 VAL 52 2HG2 VAL 52 3.052 -6.160 7.079
361 2HG2 VAL 52 3HG2 VAL 52 4.550 -5.212 7.050
362 3HG2 VAL 52 1HG2 VAL 52 4.491 -6.754 7.946
363 H GLU 53 HN GLU 53 2.551 -6.960 12.056
364 HA GLU 53 HA GLU 53 1.190 -5.041 13.571
365 1HB GLU 53 2HB GLU 53 1.872 -6.454 15.425
366 2HB GLU 53 3HB GLU 53 1.127 -7.345 14.096
367 1HG GLU 53 2HG GLU 53 3.464 -8.089 13.382
368 2HG GLU 53 3HG GLU 53 4.091 -7.288 14.824
369 H GLU 54 HN GLU 54 2.742 -3.401 12.561
370 HA GLU 54 HA GLU 54 4.407 -2.314 14.773
371 1HB GLU 54 2HB GLU 54 4.651 -1.661 11.814
372 2HB GLU 54 3HB GLU 54 5.523 -0.891 13.149
373 1HG GLU 54 2HG GLU 54 6.155 -3.556 13.528
374 2HG GLU 54 3HG GLU 54 6.099 -3.459 11.770
No H/Q in entry = 374
Start of MODEL 11
1 1H MET 1 1HN MET 1 -5.612 -0.879 9.518
2 2H MET 1 2HN MET 1 -6.495 0.548 9.418
3 3H MET 1 3HN MET 1 -5.357 0.209 8.351
4 HA MET 1 HA MET 1 -4.953 0.738 11.239
5 1HB MET 1 2HB MET 1 -3.094 2.346 10.194
6 2HB MET 1 3HB MET 1 -4.033 2.158 8.732
7 1HG MET 1 2HG MET 1 -5.981 2.987 9.955
8 2HG MET 1 3HG MET 1 -5.068 3.091 11.457
9 1HE MET 1 2HE MET 1 -3.341 4.905 12.092
10 2HE MET 1 3HE MET 1 -2.279 4.457 10.734
11 3HE MET 1 1HE MET 1 -2.744 6.149 10.977
12 H LYS 2 HN LYS 2 -2.297 0.973 11.328
13 HA LYS 2 HA LYS 2 -0.318 -0.026 11.458
14 1HB LYS 2 2HB LYS 2 -1.606 -2.700 10.900
15 2HB LYS 2 3HB LYS 2 -0.128 -2.327 11.811
16 1HG LYS 2 2HG LYS 2 -1.703 -0.955 13.380
17 2HG LYS 2 3HG LYS 2 -3.017 -1.857 12.568
18 1HD LYS 2 2HD LYS 2 -1.300 -3.890 13.067
19 2HD LYS 2 3HD LYS 2 -0.844 -2.807 14.397
20 1HE LYS 2 2HE LYS 2 -3.296 -2.715 15.048
21 2HE LYS 2 3HE LYS 2 -3.665 -3.780 13.670
22 1HZ LYS 2 3HNZ LYS 2 -1.915 -4.552 15.894
23 2HZ LYS 2 1HNZ LYS 2 -3.490 -5.013 15.719
24 3HZ LYS 2 2HNZ LYS 2 -2.379 -5.470 14.586
25 H LYS 3 HN LYS 3 1.285 -1.532 10.306
26 HA LYS 3 HA LYS 3 1.364 -0.545 7.562
27 1HB LYS 3 2HB LYS 3 3.344 -2.161 9.208
28 2HB LYS 3 3HB LYS 3 3.640 -1.405 7.639
29 1HG LYS 3 2HG LYS 3 3.058 0.810 8.607
30 2HG LYS 3 3HG LYS 3 2.826 0.076 10.172
31 1HD LYS 3 2HD LYS 3 5.259 -0.844 9.914
32 2HD LYS 3 3HD LYS 3 5.418 0.355 8.614
33 1HE LYS 3 2HE LYS 3 4.751 2.147 10.288
34 2HE LYS 3 3HE LYS 3 4.640 0.896 11.533
35 1HZ LYS 3 3HNZ LYS 3 6.957 0.444 11.237
36 2HZ LYS 3 1HNZ LYS 3 7.109 1.610 10.095
37 3HZ LYS 3 2HNZ LYS 3 6.731 2.002 11.653
38 H TYR 4 HN TYR 4 2.141 -2.045 5.897
39 HA TYR 4 HA TYR 4 1.011 -4.782 6.104
40 1HB TYR 4 2HB TYR 4 0.025 -2.659 4.192
41 2HB TYR 4 3HB TYR 4 -0.139 -4.353 3.812
42 HD1 TYR 4 HD1 TYR 4 -1.328 -1.714 6.161
43 HD2 TYR 4 HD2 TYR 4 -1.782 -5.711 4.707
44 HE1 TYR 4 HE1 TYR 4 -3.363 -1.976 7.532
45 HE2 TYR 4 HE2 TYR 4 -3.688 -6.078 6.304
46 HH TYR 4 HOH TYR 4 -4.321 -4.568 8.848
47 H THR 5 HN THR 5 2.125 -6.280 4.908
48 HA THR 5 HA THR 5 4.326 -5.415 3.150
49 HB THR 5 HB THR 5 3.144 -8.187 3.564
50 HG1 THR 5 HG1 THR 5 5.186 -6.804 4.967
51 1HG2 THR 5 2HG2 THR 5 5.898 -7.243 2.624
52 2HG2 THR 5 3HG2 THR 5 5.469 -8.918 3.036
53 3HG2 THR 5 1HG2 THR 5 4.688 -8.124 1.666
54 H CYS 6 HN CYN 6 4.288 -5.176 0.908
55 HA CYS 6 HA CYN 6 1.823 -5.409 -0.561
56 1HB CYS 6 2HB CYN 6 3.412 -3.790 -1.264
57 2HB CYS 6 3HB CYN 6 4.681 -5.004 -1.434
58 H THR 7 HN THR 7 1.224 -6.869 -1.962
59 HA THR 7 HA THR 7 0.919 -9.419 -1.505
60 HB THR 7 HB THR 7 0.499 -9.713 -3.952
61 HG1 THR 7 HG1 THR 7 1.728 -7.128 -4.091
62 1HG2 THR 7 3HG2 THR 7 -1.134 -8.511 -2.453
63 2HG2 THR 7 1HG2 THR 7 -0.456 -6.967 -3.010
64 3HG2 THR 7 2HG2 THR 7 -1.223 -8.064 -4.165
65 H VAL 8 HN VAL 8 3.087 -8.937 -4.240
66 HA VAL 8 HA VAL 8 4.828 -11.217 -3.328
67 HB VAL 8 HB VAL 8 4.861 -11.864 -5.772
68 1HG1 VAL 8 1HG1 VAL 8 3.603 -13.118 -4.074
69 2HG1 VAL 8 2HG1 VAL 8 2.185 -12.082 -4.337
70 3HG1 VAL 8 3HG1 VAL 8 2.775 -13.132 -5.641
71 1HG2 VAL 8 1HG2 VAL 8 3.874 -9.728 -6.710
72 2HG2 VAL 8 2HG2 VAL 8 3.036 -11.198 -7.227
73 3HG2 VAL 8 3HG2 VAL 8 2.320 -10.173 -5.978
74 H CYS 9 HN CYN 9 5.654 -8.937 -2.578
75 HA CYS 9 HA CYN 9 7.517 -7.793 -4.634
76 1HB CYS 9 2HB CYN 9 5.399 -6.673 -4.623
77 2HB CYS 9 3HB CYN 9 5.421 -6.553 -2.867
78 H GLY 10 HN GLY 10 6.652 -6.841 -1.299
79 1HA GLY 10 2HA GLY 10 8.268 -7.697 0.502
80 2HA GLY 10 3HA GLY 10 9.546 -7.057 -0.542
81 H TYR 11 HN TYR 11 7.865 -4.722 -1.459
82 HA TYR 11 HA TYR 11 8.687 -2.881 0.556
83 1HB TYR 11 2HB TYR 11 6.880 -2.660 -1.865
84 2HB TYR 11 3HB TYR 11 6.941 -1.356 -0.696
85 HD1 TYR 11 HD1 TYR 11 8.893 0.034 -0.361
86 HD2 TYR 11 HD2 TYR 11 8.929 -3.184 -3.231
87 HE1 TYR 11 HE1 TYR 11 10.968 0.945 -1.367
88 HE2 TYR 11 HE2 TYR 11 10.981 -2.267 -4.240
89 HH TYR 11 HOH TYR 11 12.558 -0.598 -4.170
90 H ILE 12 HN ILE 12 7.637 -1.871 2.214
91 HA ILE 12 HA ILE 12 5.086 -3.096 3.115
92 HB ILE 12 HB ILE 12 7.507 -2.129 4.618
93 1HG1 ILE 12 2HG1 ILE 12 5.631 -4.523 4.900
94 2HG1 ILE 12 3HG1 ILE 12 7.073 -4.531 3.885
95 1HG2 ILE 12 2HG2 ILE 12 4.669 -2.310 5.727
96 2HG2 ILE 12 3HG2 ILE 12 6.127 -2.202 6.731
97 3HG2 ILE 12 1HG2 ILE 12 5.692 -0.856 5.706
98 1HD1 ILE 12 3HD1 ILE 12 8.505 -4.166 5.849
99 2HD1 ILE 12 1HD1 ILE 12 7.078 -4.192 6.911
100 3HD1 ILE 12 2HD1 ILE 12 7.521 -5.634 5.993
101 H TYR 13 HN TYR 13 3.388 -1.884 2.961
102 HA TYR 13 HA TYR 13 3.469 0.998 2.419
103 1HB TYR 13 2HB TYR 13 1.744 -0.461 1.441
104 2HB TYR 13 3HB TYR 13 1.268 -0.978 3.068
105 HD1 TYR 13 HD2 TYR 13 -0.016 0.496 4.555
106 HD2 TYR 13 HD1 TYR 13 0.891 1.601 0.517
107 HE1 TYR 13 HE2 TYR 13 -1.611 2.380 4.688
108 HE2 TYR 13 HE1 TYR 13 -0.258 3.794 0.861
109 HH TYR 13 HOH TYR 13 -2.370 4.374 3.713
110 H ASN 14 HN ASN 14 3.153 2.568 3.978
111 HA ASN 14 HA ASN 14 2.563 1.740 6.777
112 1HB ASN 14 2HB ASN 14 4.975 2.350 6.492
113 2HB ASN 14 3HB ASN 14 4.477 3.924 5.879
114 1HD2 ASN 14 2HND ASN 14 5.160 4.525 9.410
115 2HD2 ASN 14 1HND ASN 14 5.830 4.603 7.789
116 HA PRO 15 HA PRO 15 -0.744 4.386 5.522
117 1HB PRO 15 2HB PRO 15 -2.242 4.354 7.903
118 2HB PRO 15 3HB PRO 15 -2.358 3.140 6.620
119 1HG PRO 15 2HG PRO 15 -0.926 2.957 9.229
120 2HG PRO 15 3HG PRO 15 -1.662 1.675 8.220
121 1HD PRO 15 2HD PRO 15 1.049 2.254 8.457
122 2HD PRO 15 3HD PRO 15 0.389 1.283 7.151
123 H GLU 16 HN GLU 16 0.941 4.886 8.618
124 HA GLU 16 HA GLU 16 -0.015 7.525 9.044
125 1HB GLU 16 2HB GLU 16 2.578 6.164 9.859
126 2HB GLU 16 3HB GLU 16 1.967 7.699 10.461
127 1HG GLU 16 2HG GLU 16 -0.214 6.387 11.060
128 2HG GLU 16 3HG GLU 16 0.743 4.916 10.807
129 H ASP 17 HN ASP 17 2.392 6.194 6.907
130 HA ASP 17 HA ASP 17 3.542 8.860 6.202
131 1HB ASP 17 2HB ASP 17 4.118 6.031 5.287
132 2HB ASP 17 3HB ASP 17 4.956 7.460 4.683
133 H GLY 18 HN GLY 18 1.350 6.329 5.042
134 1HA GLY 18 2HA GLY 18 0.042 6.138 3.259
135 2HA GLY 18 3HA GLY 18 0.217 7.868 2.905
136 H ASP 19 HN ASP 19 0.396 7.311 0.679
137 HA ASP 19 HA ASP 19 3.157 6.901 -0.188
138 1HB ASP 19 2HB ASP 19 1.015 4.907 -0.691
139 2HB ASP 19 3HB ASP 19 1.738 5.479 -2.176
140 HA PRO 20 HA PRO 20 0.328 10.313 -1.677
141 1HB PRO 20 2HB PRO 20 2.033 12.460 -1.238
142 2HB PRO 20 3HB PRO 20 0.849 11.819 -0.059
143 1HG PRO 20 2HG PRO 20 3.810 11.235 -0.245
144 2HG PRO 20 3HG PRO 20 2.843 11.576 1.221
145 1HD PRO 20 2HD PRO 20 3.514 9.048 0.523
146 2HD PRO 20 3HD PRO 20 1.902 9.401 1.200
147 H ASP 21 HN ASP 21 3.789 9.632 -2.366
148 HA ASP 21 HA ASP 21 4.068 11.150 -4.699
149 1HB ASP 21 2HB ASP 21 5.309 8.524 -3.738
150 2HB ASP 21 3HB ASP 21 5.906 9.481 -5.095
151 H ASN 22 HN ASN 22 2.473 8.125 -4.014
152 HA ASN 22 HA ASN 22 2.106 7.417 -6.872
153 1HB ASN 22 2HB ASN 22 1.348 5.917 -4.348
154 2HB ASN 22 3HB ASN 22 1.345 5.266 -5.987
155 1HD2 ASN 22 2HND ASN 22 4.775 5.414 -3.759
156 2HD2 ASN 22 1HND ASN 22 3.364 6.263 -3.243
157 H GLY 23 HN GLY 23 0.471 8.618 -4.087
158 1HA GLY 23 2HA GLY 23 -1.285 10.206 -4.843
159 2HA GLY 23 3HA GLY 23 -2.101 8.851 -5.630
160 H VAL 24 HN VAL 24 -0.651 8.037 -2.566
161 HA VAL 24 HA VAL 24 -3.370 7.925 -1.308
162 HB VAL 24 HB VAL 24 -0.865 6.260 -1.070
163 1HG1 VAL 24 2HG1 VAL 24 -3.418 6.176 0.556
164 2HG1 VAL 24 3HG1 VAL 24 -2.264 4.833 0.454
165 3HG1 VAL 24 1HG1 VAL 24 -1.749 6.377 1.158
166 1HG2 VAL 24 2HG2 VAL 24 -2.370 5.828 -3.036
167 2HG2 VAL 24 3HG2 VAL 24 -2.299 4.461 -1.908
168 3HG2 VAL 24 1HG2 VAL 24 -3.711 5.540 -1.915
169 H ASN 25 HN ASN 25 -3.643 9.539 0.096
170 HA ASN 25 HA ASN 25 -1.495 11.164 1.064
171 1HB ASN 25 2HB ASN 25 -4.466 10.931 1.668
172 2HB ASN 25 3HB ASN 25 -3.441 11.938 2.678
173 1HD2 ASN 25 2HND ASN 25 -3.951 13.098 -1.249
174 2HD2 ASN 25 1HND ASN 25 -4.134 11.405 -0.858
175 HA PRO 26 HA PRO 26 -0.353 8.999 4.803
176 1HB PRO 26 2HB PRO 26 -0.049 11.089 6.622
177 2HB PRO 26 3HB PRO 26 1.171 10.523 5.463
178 1HG PRO 26 2HG PRO 26 -0.678 12.878 5.227
179 2HG PRO 26 3HG PRO 26 1.030 12.708 4.697
180 1HD PRO 26 2HD PRO 26 -1.121 12.547 2.979
181 2HD PRO 26 3HD PRO 26 0.400 11.646 2.709
182 H GLY 27 HN GLY 27 -1.254 8.245 6.628
183 1HA GLY 27 2HA GLY 27 -2.854 7.738 8.183
184 2HA GLY 27 3HA GLY 27 -3.679 9.276 7.864
185 H THR 28 HN THR 28 -3.039 7.181 4.997
186 HA THR 28 HA THR 28 -5.955 6.731 4.901
187 HB THR 28 HB THR 28 -3.696 6.247 2.912
188 HG1 THR 28 HG1 THR 28 -4.090 8.404 3.029
189 1HG2 THR 28 1HG2 THR 28 -6.711 5.990 2.694
190 2HG2 THR 28 2HG2 THR 28 -5.603 5.966 1.301
191 3HG2 THR 28 3HG2 THR 28 -5.494 4.696 2.538
192 H ASP 29 HN ASP 29 -6.710 4.929 5.724
193 HA ASP 29 HA ASP 29 -5.091 2.741 6.611
194 1HB ASP 29 2HB ASP 29 -7.494 3.406 7.284
195 2HB ASP 29 3HB ASP 29 -8.016 2.585 5.836
196 H PHE 30 HN PHE 30 -4.576 0.886 5.565
197 HA PHE 30 HA PHE 30 -4.265 0.702 2.772
198 1HB PHE 30 2HB PHE 30 -3.361 -0.727 4.784
199 2HB PHE 30 3HB PHE 30 -4.760 -1.755 4.489
200 HD1 PHE 30 HD1 PHE 30 -5.048 -2.554 1.921
201 HD2 PHE 30 HD2 PHE 30 -1.411 -1.030 3.637
202 HE1 PHE 30 HE1 PHE 30 -3.797 -3.142 -0.143
203 HE2 PHE 30 HE2 PHE 30 -0.136 -1.950 1.694
204 HZ PHE 30 HZ PHE 30 -1.327 -2.953 -0.160
205 H LYS 31 HN LYS 31 -7.119 -0.023 4.830
206 HA LYS 31 HA LYS 31 -8.381 -1.573 2.698
207 1HB LYS 31 2HB LYS 31 -10.313 -1.665 4.022
208 2HB LYS 31 3HB LYS 31 -8.893 -1.927 5.060
209 1HG LYS 31 2HG LYS 31 -8.975 0.577 5.562
210 2HG LYS 31 3HG LYS 31 -10.513 0.619 4.711
211 1HD LYS 31 2HD LYS 31 -11.365 -1.122 6.288
212 2HD LYS 31 3HD LYS 31 -9.799 -1.041 7.144
213 1HE LYS 31 2HE LYS 31 -10.173 1.473 7.436
214 2HE LYS 31 3HE LYS 31 -11.779 1.282 6.733
215 1HZ LYS 31 3HNZ LYS 31 -12.310 -0.181 8.584
216 2HZ LYS 31 1HNZ LYS 31 -10.792 0.033 9.209
217 3HZ LYS 31 2HNZ LYS 31 -11.829 1.306 9.111
218 H ASP 32 HN ASP 32 -8.276 1.808 3.711
219 HA ASP 32 HA ASP 32 -10.502 2.701 2.102
220 1HB ASP 32 2HB ASP 32 -8.282 4.254 3.502
221 2HB ASP 32 3HB ASP 32 -9.747 4.937 2.803
222 H ILE 33 HN ILE 33 -7.044 2.085 1.522
223 HA ILE 33 HA ILE 33 -6.439 3.887 -0.442
224 HB ILE 33 HB ILE 33 -5.801 0.980 -0.198
225 1HG1 ILE 33 2HG1 ILE 33 -4.486 3.550 0.690
226 2HG1 ILE 33 3HG1 ILE 33 -5.059 2.303 1.726
227 1HG2 ILE 33 3HG2 ILE 33 -5.319 1.802 -2.466
228 2HG2 ILE 33 1HG2 ILE 33 -4.221 2.995 -1.707
229 3HG2 ILE 33 2HG2 ILE 33 -3.934 1.239 -1.535
230 1HD1 ILE 33 1HD1 ILE 33 -3.314 0.739 0.614
231 2HD1 ILE 33 2HD1 ILE 33 -2.583 2.249 -0.001
232 3HD1 ILE 33 3HD1 ILE 33 -2.753 1.972 1.739
233 HA PRO 34 HA PRO 34 -9.514 2.645 -3.509
234 1HB PRO 34 2HB PRO 34 -8.220 3.782 -5.764
235 2HB PRO 34 3HB PRO 34 -9.425 4.542 -4.703
236 1HG PRO 34 2HG PRO 34 -6.530 5.074 -4.882
237 2HG PRO 34 3HG PRO 34 -7.773 5.986 -3.982
238 1HD PRO 34 2HD PRO 34 -5.842 4.057 -2.956
239 2HD PRO 34 3HD PRO 34 -6.960 5.076 -2.038
240 H ASP 35 HN ASP 35 -9.719 0.801 -4.812
241 HA ASP 35 HA ASP 35 -7.518 -0.999 -5.104
242 1HB ASP 35 2HB ASP 35 -10.458 -0.854 -5.808
243 2HB ASP 35 3HB ASP 35 -9.431 -2.034 -6.570
244 H ASP 36 HN ASP 36 -8.350 1.753 -6.884
245 HA ASP 36 HA ASP 36 -7.249 0.975 -9.434
246 1HB ASP 36 2HB ASP 36 -8.621 3.192 -8.357
247 2HB ASP 36 3HB ASP 36 -7.098 3.737 -9.083
248 H TRP 37 HN TRP 37 -5.929 1.801 -6.341
249 HA TRP 37 HA TRP 37 -3.501 3.076 -7.295
250 1HB TRP 37 2HB TRP 37 -4.378 3.549 -5.065
251 2HB TRP 37 3HB TRP 37 -4.271 1.845 -4.649
252 HD1 TRP 37 HD TRP 37 -1.880 4.810 -5.215
253 HE1 TRP 37 HNE TRP 37 0.247 4.336 -3.859
254 HE3 TRP 37 HE TRP 37 -2.827 0.010 -3.921
255 HZ2 TRP 37 HZ1 TRP 37 1.386 2.144 -2.343
256 HZ3 TRP 37 HZ2 TRP 37 -1.195 -1.299 -2.521
257 HH2 TRP 37 HH TRP 37 0.898 -0.219 -1.728
258 H VAL 38 HN VAL 38 -1.410 2.201 -7.129
259 HA VAL 38 HA VAL 38 -1.134 -0.760 -7.272
260 HB VAL 38 HB VAL 38 -0.105 1.263 -9.316
261 1HG1 VAL 38 3HG1 VAL 38 0.403 -1.716 -9.042
262 2HG1 VAL 38 1HG1 VAL 38 0.779 -0.778 -10.501
263 3HG1 VAL 38 2HG1 VAL 38 1.631 -0.428 -9.000
264 1HG2 VAL 38 1HG2 VAL 38 -2.058 -1.081 -9.532
265 2HG2 VAL 38 2HG2 VAL 38 -2.469 0.639 -9.690
266 3HG2 VAL 38 3HG2 VAL 38 -1.450 -0.133 -10.904
267 H CYS 39 HN CYN 39 1.022 -1.492 -6.821
268 HA CYS 39 HA CYN 39 2.138 -0.113 -4.582
269 1HB CYS 39 2HB CYN 39 1.995 -2.469 -4.562
270 2HB CYS 39 3HB CYN 39 2.802 -2.622 -6.121
271 HA PRO 40 HA PRO 40 5.210 2.272 -6.831
272 1HB PRO 40 2HB PRO 40 7.147 2.591 -4.878
273 2HB PRO 40 3HB PRO 40 5.625 3.510 -4.947
274 1HG PRO 40 2HG PRO 40 6.215 1.031 -3.322
275 2HG PRO 40 3HG PRO 40 5.436 2.548 -2.771
276 1HD PRO 40 2HD PRO 40 3.977 0.392 -3.426
277 2HD PRO 40 3HD PRO 40 3.423 2.015 -3.925
278 H LEU 41 HN LEU 41 6.314 1.242 -8.381
279 HA LEU 41 HA LEU 41 8.055 0.259 -9.439
280 1HB LEU 41 2HB LEU 41 9.432 -0.276 -6.790
281 2HB LEU 41 3HB LEU 41 10.144 -0.053 -8.385
282 HG LEU 41 HG LEU 41 8.834 2.069 -6.629
283 1HD1 LEU 41 2HD1 LEU 41 11.066 1.358 -5.921
284 2HD1 LEU 41 3HD1 LEU 41 11.705 1.686 -7.548
285 3HD1 LEU 41 1HD1 LEU 41 11.088 3.017 -6.545
286 1HD2 LEU 41 2HD2 LEU 41 10.058 2.331 -9.427
287 2HD2 LEU 41 3HD2 LEU 41 8.353 2.606 -9.010
288 3HD2 LEU 41 1HD2 LEU 41 9.596 3.692 -8.383
289 H CYS 42 HN CYN 42 5.827 -1.271 -9.044
290 HA CYS 42 HA CYN 42 6.805 -4.034 -8.898
291 1HB CYS 42 2HB CYN 42 6.340 -3.321 -6.584
292 2HB CYS 42 3HB CYN 42 4.752 -2.742 -7.102
293 H GLY 43 HN GLY 43 4.583 -5.341 -9.258
294 1HA GLY 43 2HA GLY 43 3.322 -4.267 -11.728
295 2HA GLY 43 3HA GLY 43 3.168 -5.900 -11.050
296 H VAL 44 HN VAL 44 0.828 -5.638 -11.307
297 HA VAL 44 HA VAL 44 -0.746 -3.748 -9.913
298 HB VAL 44 HB VAL 44 -2.481 -5.584 -9.859
299 1HG1 VAL 44 2HG1 VAL 44 -2.355 -3.914 -11.650
300 2HG1 VAL 44 3HG1 VAL 44 -1.207 -4.932 -12.547
301 3HG1 VAL 44 1HG1 VAL 44 -2.873 -5.485 -12.277
302 1HG2 VAL 44 1HG2 VAL 44 -0.961 -7.577 -9.877
303 2HG2 VAL 44 2HG2 VAL 44 -2.152 -7.590 -11.181
304 3HG2 VAL 44 3HG2 VAL 44 -0.474 -7.164 -11.535
305 H GLY 45 HN GLY 45 -1.205 -3.435 -7.816
306 1HA GLY 45 2HA GLY 45 -0.292 -5.396 -5.754
307 2HA GLY 45 3HA GLY 45 0.085 -3.664 -5.650
308 H LYS 46 HN LYS 46 -1.254 -4.287 -3.569
309 HA LYS 46 HA LYS 46 -3.141 -4.223 -2.340
310 1HB LYS 46 2HB LYS 46 -3.546 -2.095 -2.646
311 2HB LYS 46 3HB LYS 46 -3.665 -2.175 -4.403
312 1HG LYS 46 2HG LYS 46 -5.886 -2.571 -4.430
313 2HG LYS 46 3HG LYS 46 -5.952 -3.400 -2.879
314 1HD LYS 46 2HD LYS 46 -5.374 -0.437 -3.036
315 2HD LYS 46 3HD LYS 46 -7.004 -1.089 -3.057
316 1HE LYS 46 2HE LYS 46 -5.819 -2.506 -0.942
317 2HE LYS 46 3HE LYS 46 -5.183 -0.905 -0.776
318 1HZ LYS 46 3HNZ LYS 46 -7.608 -0.162 -0.990
319 2HZ LYS 46 1HNZ LYS 46 -8.046 -1.721 -0.903
320 3HZ LYS 46 2HNZ LYS 46 -7.235 -0.987 0.376
321 H ASP 47 HN ASP 47 -3.168 -6.408 -2.623
322 HA ASP 47 HA ASP 47 -5.867 -7.296 -3.161
323 1HB ASP 47 2HB ASP 47 -5.120 -7.756 -5.367
324 2HB ASP 47 3HB ASP 47 -3.581 -8.426 -4.815
325 H GLN 48 HN GLN 48 -3.509 -9.835 -3.031
326 HA GLN 48 HA GLN 48 -4.166 -10.480 -0.354
327 1HB GLN 48 2HB GLN 48 -3.419 -11.995 -2.290
328 2HB GLN 48 3HB GLN 48 -1.771 -11.498 -1.907
329 1HG GLN 48 2HG GLN 48 -2.625 -12.221 0.588
330 2HG GLN 48 3HG GLN 48 -3.714 -13.219 -0.380
331 1HE2 GLN 48 2HNE GLN 48 -0.349 -14.897 0.454
332 2HE2 GLN 48 1HNE GLN 48 -1.427 -13.946 1.453
333 H PHE 49 HN PHE 49 -3.502 -8.079 0.350
334 HA PHE 49 HA PHE 49 -0.657 -7.795 1.078
335 1HB PHE 49 2HB PHE 49 -1.517 -5.794 2.371
336 2HB PHE 49 3HB PHE 49 -1.703 -5.748 0.637
337 HD1 PHE 49 HD2 PHE 49 -3.668 -6.482 3.781
338 HD2 PHE 49 HD1 PHE 49 -3.869 -5.665 -0.425
339 HE1 PHE 49 HE2 PHE 49 -5.992 -5.712 4.059
340 HE2 PHE 49 HE1 PHE 49 -6.267 -5.112 -0.193
341 HZ PHE 49 HZ PHE 49 -7.315 -5.030 2.064
342 H GLU 50 HN GLU 50 0.197 -8.003 3.179
343 HA GLU 50 HA GLU 50 -1.488 -9.466 5.195
344 1HB GLU 50 2HB GLU 50 1.487 -9.664 4.550
345 2HB GLU 50 3HB GLU 50 0.761 -10.272 6.024
346 1HG GLU 50 2HG GLU 50 -0.821 -11.665 4.575
347 2HG GLU 50 3HG GLU 50 0.140 -11.171 3.169
348 H GLU 51 HN GLU 51 -1.346 -8.663 7.378
349 HA GLU 51 HA GLU 51 -0.628 -5.852 7.541
350 1HB GLU 51 2HB GLU 51 -2.739 -6.566 8.503
351 2HB GLU 51 3HB GLU 51 -1.958 -7.854 9.428
352 1HG GLU 51 2HG GLU 51 -0.857 -6.407 10.816
353 2HG GLU 51 3HG GLU 51 -1.172 -4.955 9.835
354 H VAL 52 HN VAL 52 1.060 -5.038 8.701
355 HA VAL 52 HA VAL 52 3.164 -6.891 9.651
356 HB VAL 52 HB VAL 52 3.073 -4.104 8.429
357 1HG1 VAL 52 1HG1 VAL 52 5.381 -5.456 9.889
358 2HG1 VAL 52 2HG1 VAL 52 5.523 -4.000 8.862
359 3HG1 VAL 52 3HG1 VAL 52 4.551 -3.950 10.337
360 1HG2 VAL 52 2HG2 VAL 52 3.157 -6.076 6.940
361 2HG2 VAL 52 3HG2 VAL 52 4.534 -4.965 6.834
362 3HG2 VAL 52 1HG2 VAL 52 4.710 -6.525 7.680
363 H GLU 53 HN GLU 53 2.655 -7.251 11.755
364 HA GLU 53 HA GLU 53 1.547 -5.303 13.527
365 1HB GLU 53 2HB GLU 53 1.823 -7.071 15.146
366 2HB GLU 53 3HB GLU 53 0.932 -7.585 13.711
367 1HG GLU 53 2HG GLU 53 3.035 -8.760 12.914
368 2HG GLU 53 3HG GLU 53 3.812 -8.302 14.428
369 H GLU 54 HN GLU 54 3.400 -3.920 12.753
370 HA GLU 54 HA GLU 54 5.622 -3.768 14.744
371 1HB GLU 54 2HB GLU 54 4.580 -1.700 12.767
372 2HB GLU 54 3HB GLU 54 5.896 -1.467 13.921
373 1HG GLU 54 2HG GLU 54 6.595 -3.828 12.487
374 2HG GLU 54 3HG GLU 54 5.996 -2.681 11.280
No H/Q in entry = 374
Start of MODEL 12
1 1H MET 1 1HN MET 1 -5.451 -0.831 9.121
2 2H MET 1 2HN MET 1 -6.436 0.530 9.104
3 3H MET 1 3HN MET 1 -5.242 0.340 8.030
4 HA MET 1 HA MET 1 -4.981 0.784 10.935
5 1HB MET 1 2HB MET 1 -3.201 2.498 10.198
6 2HB MET 1 3HB MET 1 -3.734 2.174 8.543
7 1HG MET 1 2HG MET 1 -5.919 2.878 9.145
8 2HG MET 1 3HG MET 1 -5.493 3.152 10.830
9 1HE MET 1 2HE MET 1 -6.798 5.443 10.401
10 2HE MET 1 3HE MET 1 -6.153 6.774 9.417
11 3HE MET 1 1HE MET 1 -6.865 5.354 8.621
12 H LYS 2 HN LYS 2 -2.324 1.018 11.111
13 HA LYS 2 HA LYS 2 -0.310 -0.038 11.285
14 1HB LYS 2 2HB LYS 2 -1.738 -2.623 10.739
15 2HB LYS 2 3HB LYS 2 -0.251 -2.377 11.664
16 1HG LYS 2 2HG LYS 2 -1.526 -1.188 13.435
17 2HG LYS 2 3HG LYS 2 -3.039 -1.452 12.512
18 1HD LYS 2 2HD LYS 2 -2.401 -3.877 12.368
19 2HD LYS 2 3HD LYS 2 -1.181 -3.597 13.601
20 1HE LYS 2 2HE LYS 2 -4.222 -3.177 13.764
21 2HE LYS 2 3HE LYS 2 -3.350 -4.555 14.443
22 1HZ LYS 2 3HNZ LYS 2 -2.986 -1.751 15.292
23 2HZ LYS 2 1HNZ LYS 2 -3.845 -2.888 16.116
24 3HZ LYS 2 2HNZ LYS 2 -2.219 -3.059 15.932
25 H LYS 3 HN LYS 3 1.206 -1.722 10.167
26 HA LYS 3 HA LYS 3 1.344 -0.649 7.446
27 1HB LYS 3 2HB LYS 3 3.306 -2.279 9.087
28 2HB LYS 3 3HB LYS 3 3.630 -1.472 7.549
29 1HG LYS 3 2HG LYS 3 3.077 0.714 8.561
30 2HG LYS 3 3HG LYS 3 2.698 -0.078 10.082
31 1HD LYS 3 2HD LYS 3 4.991 -1.018 10.194
32 2HD LYS 3 3HD LYS 3 5.465 0.006 8.826
33 1HE LYS 3 2HE LYS 3 5.235 2.001 10.099
34 2HE LYS 3 3HE LYS 3 4.072 1.276 11.220
35 1HZ LYS 3 2HNZ LYS 3 6.906 0.524 11.221
36 2HZ LYS 3 3HNZ LYS 3 6.184 1.597 12.256
37 3HZ LYS 3 1HNZ LYS 3 5.718 0.052 12.252
38 H TYR 4 HN TYR 4 2.106 -2.111 5.731
39 HA TYR 4 HA TYR 4 1.075 -4.882 5.968
40 1HB TYR 4 2HB TYR 4 0.021 -2.759 4.095
41 2HB TYR 4 3HB TYR 4 0.009 -4.422 3.568
42 HD1 TYR 4 HD2 TYR 4 -1.345 -2.176 6.260
43 HD2 TYR 4 HD1 TYR 4 -1.659 -5.894 4.136
44 HE1 TYR 4 HE2 TYR 4 -3.323 -2.767 7.586
45 HE2 TYR 4 HE1 TYR 4 -3.629 -6.523 5.509
46 HH TYR 4 HOH TYR 4 -5.005 -5.866 7.307
47 H THR 5 HN THR 5 2.223 -6.398 4.800
48 HA THR 5 HA THR 5 4.380 -5.554 2.963
49 HB THR 5 HB THR 5 3.402 -8.394 3.408
50 HG1 THR 5 HG1 THR 5 4.626 -8.467 5.242
51 1HG2 THR 5 1HG2 THR 5 6.161 -7.183 2.913
52 2HG2 THR 5 2HG2 THR 5 5.828 -8.905 3.185
53 3HG2 THR 5 3HG2 THR 5 5.209 -8.111 1.732
54 H CYS 6 HN CYN 6 4.464 -5.949 0.680
55 HA CYS 6 HA CYN 6 1.924 -6.142 -0.750
56 1HB CYS 6 2HB CYN 6 3.770 -4.615 -1.327
57 2HB CYS 6 3HB CYN 6 4.781 -6.000 -1.736
58 H THR 7 HN THR 7 3.186 -8.612 0.798
59 HA THR 7 HA THR 7 3.214 -10.824 0.590
60 HB THR 7 HB THR 7 1.672 -10.506 -2.030
61 HG1 THR 7 HG1 THR 7 0.490 -9.488 -0.563
62 1HG2 THR 7 3HG2 THR 7 1.849 -12.780 -0.022
63 2HG2 THR 7 1HG2 THR 7 0.775 -12.702 -1.434
64 3HG2 THR 7 2HG2 THR 7 2.525 -12.783 -1.668
65 H VAL 8 HN VAL 8 3.638 -9.827 -2.849
66 HA VAL 8 HA VAL 8 5.525 -12.011 -3.325
67 HB VAL 8 HB VAL 8 4.561 -9.671 -5.030
68 1HG1 VAL 8 1HG1 VAL 8 6.406 -11.979 -5.792
69 2HG1 VAL 8 2HG1 VAL 8 5.609 -10.886 -6.945
70 3HG1 VAL 8 3HG1 VAL 8 6.807 -10.247 -5.820
71 1HG2 VAL 8 1HG2 VAL 8 3.991 -12.668 -5.129
72 2HG2 VAL 8 2HG2 VAL 8 2.863 -11.416 -4.563
73 3HG2 VAL 8 3HG2 VAL 8 3.364 -11.452 -6.260
74 H CYS 9 HN CYN 9 5.791 -8.408 -3.514
75 HA CYS 9 HA CYN 9 8.683 -8.635 -2.864
76 1HB CYS 9 2HB CYN 9 8.722 -6.264 -3.588
77 2HB CYS 9 3HB CYN 9 8.316 -7.427 -4.852
78 H GLY 10 HN GLY 10 9.320 -6.677 -1.404
79 1HA GLY 10 2HA GLY 10 7.874 -7.016 1.107
80 2HA GLY 10 3HA GLY 10 9.264 -5.963 0.812
81 H TYR 11 HN TYR 11 8.848 -4.105 -0.630
82 HA TYR 11 HA TYR 11 8.163 -1.937 -0.125
83 1HB TYR 11 2HB TYR 11 6.315 -3.181 -2.167
84 2HB TYR 11 3HB TYR 11 6.270 -1.463 -1.797
85 HD1 TYR 11 HD1 TYR 11 8.237 0.015 -2.141
86 HD2 TYR 11 HD2 TYR 11 8.129 -4.041 -3.563
87 HE1 TYR 11 HE1 TYR 11 10.119 0.504 -3.661
88 HE2 TYR 11 HE2 TYR 11 10.017 -3.556 -5.100
89 HH TYR 11 HOH TYR 11 11.467 -0.303 -5.341
90 H ILE 12 HN ILE 12 7.683 -2.577 2.163
91 HA ILE 12 HA ILE 12 5.058 -3.119 2.912
92 HB ILE 12 HB ILE 12 7.486 -2.205 4.419
93 1HG1 ILE 12 2HG1 ILE 12 5.578 -4.577 4.682
94 2HG1 ILE 12 3HG1 ILE 12 6.968 -4.568 3.596
95 1HG2 ILE 12 1HG2 ILE 12 4.683 -2.364 5.617
96 2HG2 ILE 12 2HG2 ILE 12 6.177 -2.340 6.571
97 3HG2 ILE 12 3HG2 ILE 12 5.745 -0.939 5.621
98 1HD1 ILE 12 3HD1 ILE 12 8.493 -4.305 5.519
99 2HD1 ILE 12 1HD1 ILE 12 7.102 -4.387 6.630
100 3HD1 ILE 12 2HD1 ILE 12 7.501 -5.774 5.610
101 H TYR 13 HN TYR 13 3.314 -1.967 2.769
102 HA TYR 13 HA TYR 13 3.289 0.906 2.296
103 1HB TYR 13 2HB TYR 13 1.585 -0.593 1.369
104 2HB TYR 13 3HB TYR 13 1.122 -1.108 2.994
105 HD1 TYR 13 HD1 TYR 13 -0.149 0.416 4.496
106 HD2 TYR 13 HD2 TYR 13 0.706 1.440 0.433
107 HE1 TYR 13 HE1 TYR 13 -1.613 2.402 4.658
108 HE2 TYR 13 HE2 TYR 13 -0.231 3.733 0.809
109 HH TYR 13 HOH TYR 13 -2.280 4.415 3.687
110 H ASN 14 HN ASN 14 3.303 2.441 3.880
111 HA ASN 14 HA ASN 14 2.677 1.647 6.685
112 1HB ASN 14 2HB ASN 14 5.096 2.276 6.330
113 2HB ASN 14 3HB ASN 14 4.556 3.844 5.747
114 1HD2 ASN 14 2HND ASN 14 5.316 4.486 9.233
115 2HD2 ASN 14 1HND ASN 14 5.922 4.583 7.580
116 HA PRO 15 HA PRO 15 -0.606 4.388 5.486
117 1HB PRO 15 2HB PRO 15 -2.072 4.356 7.881
118 2HB PRO 15 3HB PRO 15 -2.229 3.136 6.606
119 1HG PRO 15 2HG PRO 15 -0.744 2.940 9.182
120 2HG PRO 15 3HG PRO 15 -1.535 1.671 8.201
121 1HD PRO 15 2HD PRO 15 1.177 2.144 8.352
122 2HD PRO 15 3HD PRO 15 0.441 1.236 7.029
123 H GLU 16 HN GLU 16 1.175 4.750 8.548
124 HA GLU 16 HA GLU 16 0.299 7.376 9.106
125 1HB GLU 16 2HB GLU 16 2.936 5.988 9.723
126 2HB GLU 16 3HB GLU 16 2.337 7.473 10.446
127 1HG GLU 16 2HG GLU 16 0.221 6.087 11.106
128 2HG GLU 16 3HG GLU 16 1.178 4.653 10.695
129 H ASP 17 HN ASP 17 2.611 6.103 6.823
130 HA ASP 17 HA ASP 17 3.749 8.790 6.149
131 1HB ASP 17 2HB ASP 17 4.283 5.971 5.169
132 2HB ASP 17 3HB ASP 17 5.080 7.406 4.516
133 H GLY 18 HN GLY 18 1.506 6.282 5.000
134 1HA GLY 18 2HA GLY 18 0.151 6.150 3.248
135 2HA GLY 18 3HA GLY 18 0.332 7.890 2.941
136 H ASP 19 HN ASP 19 0.430 7.384 0.694
137 HA ASP 19 HA ASP 19 3.167 6.998 -0.269
138 1HB ASP 19 2HB ASP 19 0.968 5.043 -0.794
139 2HB ASP 19 3HB ASP 19 1.743 5.624 -2.252
140 HA PRO 20 HA PRO 20 0.261 10.429 -1.565
141 1HB PRO 20 2HB PRO 20 1.946 12.587 -1.126
142 2HB PRO 20 3HB PRO 20 0.822 11.888 0.079
143 1HG PRO 20 2HG PRO 20 3.781 11.355 -0.247
144 2HG PRO 20 3HG PRO 20 2.874 11.644 1.268
145 1HD PRO 20 2HD PRO 20 3.540 9.143 0.481
146 2HD PRO 20 3HD PRO 20 1.948 9.460 1.222
147 H ASP 21 HN ASP 21 3.730 9.907 -2.383
148 HA ASP 21 HA ASP 21 3.868 11.440 -4.705
149 1HB ASP 21 2HB ASP 21 5.207 8.822 -3.854
150 2HB ASP 21 3HB ASP 21 5.736 9.838 -5.198
151 H ASN 22 HN ASN 22 2.403 8.345 -4.027
152 HA ASN 22 HA ASN 22 1.968 7.670 -6.880
153 1HB ASN 22 2HB ASN 22 1.265 6.112 -4.377
154 2HB ASN 22 3HB ASN 22 1.287 5.495 -6.025
155 1HD2 ASN 22 2HND ASN 22 4.702 5.681 -3.775
156 2HD2 ASN 22 1HND ASN 22 3.295 6.561 -3.295
157 H GLY 23 HN GLY 23 0.375 8.808 -4.044
158 1HA GLY 23 2HA GLY 23 -1.417 10.380 -4.739
159 2HA GLY 23 3HA GLY 23 -2.232 9.027 -5.528
160 H VAL 24 HN VAL 24 -0.703 8.217 -2.494
161 HA VAL 24 HA VAL 24 -3.396 8.039 -1.184
162 HB VAL 24 HB VAL 24 -0.878 6.383 -1.064
163 1HG1 VAL 24 3HG1 VAL 24 -3.399 6.164 0.595
164 2HG1 VAL 24 1HG1 VAL 24 -2.190 4.878 0.435
165 3HG1 VAL 24 2HG1 VAL 24 -1.736 6.416 1.191
166 1HG2 VAL 24 2HG2 VAL 24 -2.397 5.986 -3.017
167 2HG2 VAL 24 3HG2 VAL 24 -2.334 4.597 -1.917
168 3HG2 VAL 24 1HG2 VAL 24 -3.735 5.690 -1.891
169 H ASN 25 HN ASN 25 -3.642 9.594 0.309
170 HA ASN 25 HA ASN 25 -1.473 11.213 1.230
171 1HB ASN 25 2HB ASN 25 -4.411 10.926 1.961
172 2HB ASN 25 3HB ASN 25 -3.353 11.907 2.962
173 1HD2 ASN 25 2HND ASN 25 -4.070 13.197 -0.890
174 2HD2 ASN 25 1HND ASN 25 -4.247 11.495 -0.536
175 HA PRO 26 HA PRO 26 -0.174 8.967 4.881
176 1HB PRO 26 2HB PRO 26 0.198 11.012 6.728
177 2HB PRO 26 3HB PRO 26 1.376 10.486 5.506
178 1HG PRO 26 2HG PRO 26 -0.497 12.831 5.400
179 2HG PRO 26 3HG PRO 26 1.197 12.685 4.813
180 1HD PRO 26 2HD PRO 26 -1.013 12.551 3.158
181 2HD PRO 26 3HD PRO 26 0.506 11.674 2.814
182 H GLY 27 HN GLY 27 -1.016 8.206 6.718
183 1HA GLY 27 2HA GLY 27 -2.590 7.574 8.221
184 2HA GLY 27 3HA GLY 27 -3.409 9.141 8.049
185 H THR 28 HN THR 28 -2.869 7.189 5.039
186 HA THR 28 HA THR 28 -5.795 6.804 4.981
187 HB THR 28 HB THR 28 -3.585 6.328 2.940
188 HG1 THR 28 HG1 THR 28 -3.983 8.486 3.169
189 1HG2 THR 28 3HG2 THR 28 -6.606 6.054 2.801
190 2HG2 THR 28 1HG2 THR 28 -5.555 6.104 1.367
191 3HG2 THR 28 2HG2 THR 28 -5.376 4.791 2.547
192 H ASP 29 HN ASP 29 -6.600 4.994 5.728
193 HA ASP 29 HA ASP 29 -5.084 2.729 6.584
194 1HB ASP 29 2HB ASP 29 -7.488 3.451 7.208
195 2HB ASP 29 3HB ASP 29 -7.983 2.734 5.693
196 H PHE 30 HN PHE 30 -4.421 0.989 5.472
197 HA PHE 30 HA PHE 30 -4.227 0.727 2.714
198 1HB PHE 30 2HB PHE 30 -3.280 -0.700 4.700
199 2HB PHE 30 3HB PHE 30 -4.739 -1.669 4.523
200 HD1 PHE 30 HD2 PHE 30 -5.215 -2.582 2.052
201 HD2 PHE 30 HD1 PHE 30 -1.398 -1.167 3.431
202 HE1 PHE 30 HE2 PHE 30 -4.181 -3.275 -0.063
203 HE2 PHE 30 HE1 PHE 30 -0.340 -2.003 1.337
204 HZ PHE 30 HZ PHE 30 -1.755 -2.923 -0.455
205 H LYS 31 HN LYS 31 -7.120 0.015 4.806
206 HA LYS 31 HA LYS 31 -8.363 -1.470 2.612
207 1HB LYS 31 2HB LYS 31 -10.324 -1.574 3.858
208 2HB LYS 31 3HB LYS 31 -8.951 -1.854 4.950
209 1HG LYS 31 2HG LYS 31 -9.057 0.622 5.505
210 2HG LYS 31 3HG LYS 31 -10.534 0.714 4.574
211 1HD LYS 31 2HD LYS 31 -11.570 -0.981 6.012
212 2HD LYS 31 3HD LYS 31 -10.061 -1.088 6.961
213 1HE LYS 31 2HE LYS 31 -10.227 1.335 7.537
214 2HE LYS 31 3HE LYS 31 -11.686 1.495 6.554
215 1HZ LYS 31 3HNZ LYS 31 -11.435 -0.163 8.969
216 2HZ LYS 31 1HNZ LYS 31 -12.171 1.308 8.871
217 3HZ LYS 31 2HNZ LYS 31 -12.804 0.021 8.060
218 H ASP 32 HN ASP 32 -8.285 1.879 3.711
219 HA ASP 32 HA ASP 32 -10.454 2.829 2.063
220 1HB ASP 32 2HB ASP 32 -8.275 4.299 3.611
221 2HB ASP 32 3HB ASP 32 -9.678 5.050 2.859
222 H ILE 33 HN ILE 33 -6.997 2.200 1.511
223 HA ILE 33 HA ILE 33 -6.374 4.012 -0.429
224 HB ILE 33 HB ILE 33 -5.796 1.082 -0.259
225 1HG1 ILE 33 2HG1 ILE 33 -4.415 3.606 0.667
226 2HG1 ILE 33 3HG1 ILE 33 -4.999 2.363 1.700
227 1HG2 ILE 33 2HG2 ILE 33 -5.334 2.001 -2.507
228 2HG2 ILE 33 3HG2 ILE 33 -4.189 3.116 -1.712
229 3HG2 ILE 33 1HG2 ILE 33 -3.969 1.343 -1.604
230 1HD1 ILE 33 2HD1 ILE 33 -3.330 0.760 0.519
231 2HD1 ILE 33 3HD1 ILE 33 -2.559 2.262 -0.072
232 3HD1 ILE 33 1HD1 ILE 33 -2.714 1.948 1.662
233 HA PRO 34 HA PRO 34 -9.561 2.929 -3.443
234 1HB PRO 34 2HB PRO 34 -8.231 4.047 -5.709
235 2HB PRO 34 3HB PRO 34 -9.439 4.817 -4.664
236 1HG PRO 34 2HG PRO 34 -6.560 5.349 -4.813
237 2HG PRO 34 3HG PRO 34 -7.798 6.215 -3.862
238 1HD PRO 34 2HD PRO 34 -5.843 4.244 -2.930
239 2HD PRO 34 3HD PRO 34 -6.935 5.242 -1.969
240 H ASP 35 HN ASP 35 -9.889 1.113 -4.798
241 HA ASP 35 HA ASP 35 -7.864 -0.806 -5.157
242 1HB ASP 35 2HB ASP 35 -10.726 -0.345 -6.026
243 2HB ASP 35 3HB ASP 35 -9.765 -1.622 -6.733
244 H ASP 36 HN ASP 36 -8.525 2.049 -6.955
245 HA ASP 36 HA ASP 36 -7.385 1.290 -9.456
246 1HB ASP 36 2HB ASP 36 -8.506 3.601 -8.243
247 2HB ASP 36 3HB ASP 36 -6.989 4.001 -9.049
248 H TRP 37 HN TRP 37 -6.023 1.874 -6.320
249 HA TRP 37 HA TRP 37 -3.501 2.966 -7.290
250 1HB TRP 37 2HB TRP 37 -4.477 3.667 -5.143
251 2HB TRP 37 3HB TRP 37 -4.393 2.005 -4.581
252 HD1 TRP 37 HD TRP 37 -1.987 4.902 -5.353
253 HE1 TRP 37 HNE TRP 37 0.132 4.528 -3.948
254 HE3 TRP 37 HE TRP 37 -2.970 0.221 -3.710
255 HZ2 TRP 37 HZ1 TRP 37 1.260 2.431 -2.296
256 HZ3 TRP 37 HZ2 TRP 37 -1.321 -1.018 -2.276
257 HH2 TRP 37 HH TRP 37 0.798 0.085 -1.592
258 H VAL 38 HN VAL 38 -1.491 1.990 -7.094
259 HA VAL 38 HA VAL 38 -1.392 -0.984 -7.158
260 HB VAL 38 HB VAL 38 0.380 -0.502 -8.989
261 1HG1 VAL 38 1HG1 VAL 38 -2.602 -0.164 -9.513
262 2HG1 VAL 38 2HG1 VAL 38 -1.391 -0.400 -10.790
263 3HG1 VAL 38 3HG1 VAL 38 -1.639 -1.659 -9.579
264 1HG2 VAL 38 3HG2 VAL 38 0.402 2.000 -8.655
265 2HG2 VAL 38 1HG2 VAL 38 0.135 1.478 -10.327
266 3HG2 VAL 38 2HG2 VAL 38 -1.230 2.057 -9.365
267 H CYS 39 HN CYN 39 0.717 -1.889 -6.710
268 HA CYS 39 HA CYN 39 1.883 -0.694 -4.426
269 1HB CYS 39 2HB CYN 39 1.888 -3.003 -4.554
270 2HB CYS 39 3HB CYN 39 2.555 -3.029 -6.180
271 HA PRO 40 HA PRO 40 4.695 2.122 -6.427
272 1HB PRO 40 2HB PRO 40 6.418 2.720 -4.397
273 2HB PRO 40 3HB PRO 40 4.710 3.239 -4.408
274 1HG PRO 40 2HG PRO 40 5.863 0.814 -3.014
275 2HG PRO 40 3HG PRO 40 4.807 2.083 -2.320
276 1HD PRO 40 2HD PRO 40 3.792 -0.256 -3.217
277 2HD PRO 40 3HD PRO 40 2.926 1.278 -3.517
278 H LEU 41 HN LEU 41 5.514 0.666 -7.934
279 HA LEU 41 HA LEU 41 7.372 0.120 -9.175
280 1HB LEU 41 2HB LEU 41 9.067 -0.083 -6.665
281 2HB LEU 41 3HB LEU 41 9.605 -0.103 -8.329
282 HG LEU 41 HG LEU 41 8.303 2.286 -6.948
283 1HD1 LEU 41 1HD1 LEU 41 11.194 1.722 -7.719
284 2HD1 LEU 41 2HD1 LEU 41 10.574 3.244 -7.044
285 3HD1 LEU 41 3HD1 LEU 41 10.533 1.765 -6.071
286 1HD2 LEU 41 3HD2 LEU 41 9.562 1.969 -9.718
287 2HD2 LEU 41 1HD2 LEU 41 7.852 2.323 -9.375
288 3HD2 LEU 41 2HD2 LEU 41 9.094 3.519 -8.985
289 H CYS 42 HN CYN 42 5.548 -1.561 -8.960
290 HA CYS 42 HA CYN 42 6.828 -4.228 -8.677
291 1HB CYS 42 2HB CYN 42 5.891 -3.778 -6.558
292 2HB CYS 42 3HB CYN 42 4.421 -3.105 -7.284
293 H GLY 43 HN GLY 43 3.376 -3.744 -8.996
294 1HA GLY 43 2HA GLY 43 2.899 -3.153 -11.640
295 2HA GLY 43 3HA GLY 43 3.402 -4.856 -11.691
296 H VAL 44 HN VAL 44 2.364 -5.690 -9.158
297 HA VAL 44 HA VAL 44 -0.360 -6.188 -9.998
298 HB VAL 44 HB VAL 44 1.066 -6.951 -7.420
299 1HG1 VAL 44 2HG1 VAL 44 -1.508 -7.976 -8.715
300 2HG1 VAL 44 3HG1 VAL 44 -0.660 -8.792 -7.388
301 3HG1 VAL 44 1HG1 VAL 44 -1.348 -7.192 -7.129
302 1HG2 VAL 44 3HG2 VAL 44 0.680 -8.476 -10.042
303 2HG2 VAL 44 1HG2 VAL 44 2.228 -7.888 -9.399
304 3HG2 VAL 44 2HG2 VAL 44 1.351 -9.158 -8.548
305 H GLY 45 HN GLY 45 -2.281 -5.583 -8.900
306 1HA GLY 45 2HA GLY 45 -2.297 -2.866 -7.824
307 2HA GLY 45 3HA GLY 45 -3.679 -3.923 -8.131
308 H LYS 46 HN LYS 46 -3.877 -2.591 -5.813
309 HA LYS 46 HA LYS 46 -2.884 -4.186 -3.579
310 1HB LYS 46 2HB LYS 46 -4.365 -3.082 -2.217
311 2HB LYS 46 3HB LYS 46 -3.640 -1.892 -3.287
312 1HG LYS 46 2HG LYS 46 -5.753 -1.884 -4.644
313 2HG LYS 46 3HG LYS 46 -6.493 -2.982 -3.463
314 1HD LYS 46 2HD LYS 46 -5.581 -0.190 -2.891
315 2HD LYS 46 3HD LYS 46 -7.235 -0.780 -3.067
316 1HE LYS 46 2HE LYS 46 -6.247 -2.509 -1.109
317 2HE LYS 46 3HE LYS 46 -5.398 -1.017 -0.756
318 1HZ LYS 46 3HNZ LYS 46 -7.737 0.022 -0.917
319 2HZ LYS 46 1HNZ LYS 46 -8.313 -1.491 -0.787
320 3HZ LYS 46 2HNZ LYS 46 -7.348 -0.837 0.415
321 H ASP 47 HN ASP 47 -3.283 -6.375 -3.767
322 HA ASP 47 HA ASP 47 -6.156 -7.229 -3.727
323 1HB ASP 47 2HB ASP 47 -3.974 -8.301 -5.568
324 2HB ASP 47 3HB ASP 47 -5.285 -9.335 -4.981
325 H GLN 48 HN GLN 48 -2.899 -8.641 -3.612
326 HA GLN 48 HA GLN 48 -3.617 -10.085 -1.118
327 1HB GLN 48 2HB GLN 48 -2.571 -11.024 -3.460
328 2HB GLN 48 3HB GLN 48 -1.076 -10.625 -2.622
329 1HG GLN 48 2HG GLN 48 -1.480 -12.854 -2.096
330 2HG GLN 48 3HG GLN 48 -2.041 -12.015 -0.642
331 1HE2 GLN 48 2HNE GLN 48 -4.518 -14.630 -2.108
332 2HE2 GLN 48 1HNE GLN 48 -2.773 -14.718 -1.929
333 H PHE 49 HN PHE 49 -3.167 -8.815 0.653
334 HA PHE 49 HA PHE 49 -0.434 -7.737 0.918
335 1HB PHE 49 2HB PHE 49 -1.540 -5.612 1.895
336 2HB PHE 49 3HB PHE 49 -1.435 -5.781 0.166
337 HD1 PHE 49 HD2 PHE 49 -3.823 -5.865 3.016
338 HD2 PHE 49 HD1 PHE 49 -3.373 -6.106 -1.255
339 HE1 PHE 49 HE2 PHE 49 -6.221 -5.338 2.742
340 HE2 PHE 49 HE1 PHE 49 -5.811 -5.677 -1.525
341 HZ PHE 49 HZ PHE 49 -7.223 -5.242 0.463
342 H GLU 50 HN GLU 50 0.393 -8.105 2.913
343 HA GLU 50 HA GLU 50 -1.357 -9.545 4.888
344 1HB GLU 50 2HB GLU 50 1.660 -9.510 4.445
345 2HB GLU 50 3HB GLU 50 0.841 -10.397 5.721
346 1HG GLU 50 2HG GLU 50 -0.320 -11.793 4.048
347 2HG GLU 50 3HG GLU 50 0.417 -10.863 2.727
348 H GLU 51 HN GLU 51 -1.306 -8.753 7.163
349 HA GLU 51 HA GLU 51 -0.585 -5.964 7.379
350 1HB GLU 51 2HB GLU 51 -2.661 -6.772 8.352
351 2HB GLU 51 3HB GLU 51 -1.805 -8.034 9.265
352 1HG GLU 51 2HG GLU 51 -0.691 -6.481 10.577
353 2HG GLU 51 3HG GLU 51 -1.270 -5.070 9.658
354 H VAL 52 HN VAL 52 1.065 -5.121 8.592
355 HA VAL 52 HA VAL 52 3.224 -6.872 9.628
356 HB VAL 52 HB VAL 52 3.075 -4.176 8.225
357 1HG1 VAL 52 1HG1 VAL 52 5.452 -5.376 9.687
358 2HG1 VAL 52 2HG1 VAL 52 5.498 -3.948 8.619
359 3HG1 VAL 52 3HG1 VAL 52 4.575 -3.884 10.124
360 1HG2 VAL 52 1HG2 VAL 52 3.187 -6.167 6.823
361 2HG2 VAL 52 2HG2 VAL 52 4.577 -5.076 6.687
362 3HG2 VAL 52 3HG2 VAL 52 4.732 -6.606 7.593
363 H GLU 53 HN GLU 53 2.764 -7.030 11.802
364 HA GLU 53 HA GLU 53 1.344 -5.001 13.236
365 1HB GLU 53 2HB GLU 53 1.487 -6.576 15.021
366 2HB GLU 53 3HB GLU 53 0.831 -7.280 13.540
367 1HG GLU 53 2HG GLU 53 3.062 -8.410 13.157
368 2HG GLU 53 3HG GLU 53 3.636 -7.738 14.682
369 H GLU 54 HN GLU 54 3.350 -3.622 12.520
370 HA GLU 54 HA GLU 54 4.725 -2.883 14.990
371 1HB GLU 54 2HB GLU 54 7.012 -2.936 13.954
372 2HB GLU 54 3HB GLU 54 6.340 -4.535 14.301
373 1HG GLU 54 2HG GLU 54 5.789 -4.897 11.975
374 2HG GLU 54 3HG GLU 54 6.230 -3.221 11.562
No H/Q in entry = 374
Start of MODEL 13
1 1H MET 1 1HN MET 1 -6.108 -0.678 9.662
2 2H MET 1 2HN MET 1 -6.806 0.842 9.549
3 3H MET 1 3HN MET 1 -5.796 0.316 8.427
4 HA MET 1 HA MET 1 -5.102 0.881 11.254
5 1HB MET 1 2HB MET 1 -3.274 2.365 10.161
6 2HB MET 1 3HB MET 1 -4.134 2.096 8.656
7 1HG MET 1 2HG MET 1 -6.171 2.972 9.854
8 2HG MET 1 3HG MET 1 -5.165 3.421 11.213
9 1HE MET 1 2HE MET 1 -2.616 4.767 10.219
10 2HE MET 1 3HE MET 1 -3.132 6.443 9.930
11 3HE MET 1 1HE MET 1 -3.726 5.571 11.355
12 H LYS 2 HN LYS 2 -2.591 0.803 11.319
13 HA LYS 2 HA LYS 2 -0.675 -0.346 11.409
14 1HB LYS 2 2HB LYS 2 -2.171 -2.817 10.537
15 2HB LYS 2 3HB LYS 2 -0.658 -2.701 11.450
16 1HG LYS 2 2HG LYS 2 -2.023 -1.533 13.302
17 2HG LYS 2 3HG LYS 2 -3.475 -2.061 12.385
18 1HD LYS 2 2HD LYS 2 -2.197 -4.330 12.259
19 2HD LYS 2 3HD LYS 2 -1.272 -3.737 13.625
20 1HE LYS 2 2HE LYS 2 -4.339 -4.024 13.492
21 2HE LYS 2 3HE LYS 2 -3.270 -5.279 14.114
22 1HZ LYS 2 1HNZ LYS 2 -3.470 -2.568 15.241
23 2HZ LYS 2 2HNZ LYS 2 -4.152 -3.929 15.880
24 3HZ LYS 2 3HNZ LYS 2 -2.513 -3.787 15.800
25 H LYS 3 HN LYS 3 0.896 -1.748 10.146
26 HA LYS 3 HA LYS 3 1.051 -0.628 7.453
27 1HB LYS 3 2HB LYS 3 2.962 -2.348 9.078
28 2HB LYS 3 3HB LYS 3 3.330 -1.509 7.565
29 1HG LYS 3 2HG LYS 3 2.763 0.654 8.628
30 2HG LYS 3 3HG LYS 3 2.393 -0.158 10.126
31 1HD LYS 3 2HD LYS 3 4.807 -1.056 10.117
32 2HD LYS 3 3HD LYS 3 5.126 0.163 8.866
33 1HE LYS 3 2HE LYS 3 4.297 1.948 10.443
34 2HE LYS 3 3HE LYS 3 3.933 0.708 11.649
35 1HZ LYS 3 2HNZ LYS 3 6.262 0.183 11.744
36 2HZ LYS 3 3HNZ LYS 3 6.631 1.331 10.655
37 3HZ LYS 3 1HNZ LYS 3 6.003 1.751 12.122
38 H TYR 4 HN TYR 4 1.741 -2.094 5.715
39 HA TYR 4 HA TYR 4 0.697 -4.846 5.938
40 1HB TYR 4 2HB TYR 4 -0.390 -2.939 3.791
41 2HB TYR 4 3HB TYR 4 -0.362 -4.660 3.654
42 HD1 TYR 4 HD2 TYR 4 -1.575 -2.195 6.283
43 HD2 TYR 4 HD1 TYR 4 -2.342 -5.702 3.943
44 HE1 TYR 4 HE2 TYR 4 -3.396 -2.837 7.827
45 HE2 TYR 4 HE1 TYR 4 -4.308 -6.231 5.354
46 HH TYR 4 HOH TYR 4 -4.701 -4.918 8.478
47 H THR 5 HN THR 5 1.763 -6.331 4.644
48 HA THR 5 HA THR 5 4.107 -5.200 3.144
49 HB THR 5 HB THR 5 4.598 -6.929 4.814
50 HG1 THR 5 HG1 THR 5 6.130 -6.880 3.379
51 1HG2 THR 5 2HG2 THR 5 3.085 -8.793 2.934
52 2HG2 THR 5 3HG2 THR 5 4.123 -9.283 4.282
53 3HG2 THR 5 1HG2 THR 5 2.644 -8.368 4.609
54 H CYS 6 HN CYN 6 4.668 -6.186 1.108
55 HA CYS 6 HA CYN 6 2.372 -6.287 -0.759
56 1HB CYS 6 2HB CYN 6 4.215 -4.769 -1.260
57 2HB CYS 6 3HB CYN 6 5.370 -6.099 -1.185
58 H THR 7 HN THR 7 4.830 -8.060 -2.090
59 HA THR 7 HA THR 7 4.267 -10.622 -0.830
60 HB THR 7 HB THR 7 2.185 -10.161 -2.099
61 HG1 THR 7 HG1 THR 7 2.823 -12.262 -1.766
62 1HG2 THR 7 3HG2 THR 7 3.204 -8.903 -4.037
63 2HG2 THR 7 1HG2 THR 7 3.817 -10.468 -4.640
64 3HG2 THR 7 2HG2 THR 7 2.078 -10.194 -4.481
65 H VAL 8 HN VAL 8 5.572 -8.946 -3.737
66 HA VAL 8 HA VAL 8 7.777 -10.966 -3.813
67 HB VAL 8 HB VAL 8 6.736 -11.041 -5.834
68 1HG1 VAL 8 3HG1 VAL 8 5.301 -9.033 -5.816
69 2HG1 VAL 8 1HG1 VAL 8 6.709 -8.010 -6.160
70 3HG1 VAL 8 2HG1 VAL 8 6.181 -9.221 -7.326
71 1HG2 VAL 8 2HG2 VAL 8 9.233 -10.796 -5.913
72 2HG2 VAL 8 3HG2 VAL 8 8.409 -10.341 -7.416
73 3HG2 VAL 8 1HG2 VAL 8 9.015 -9.082 -6.331
74 H CYS 9 HN CYN 9 7.466 -7.419 -4.469
75 HA CYS 9 HA CYN 9 10.270 -6.982 -4.062
76 1HB CYS 9 2HB CYN 9 9.471 -4.572 -4.114
77 2HB CYS 9 3HB CYN 9 9.093 -5.568 -5.530
78 H GLY 10 HN GLY 10 7.387 -6.569 -2.065
79 1HA GLY 10 2HA GLY 10 7.240 -6.735 0.273
80 2HA GLY 10 3HA GLY 10 9.002 -6.749 0.402
81 H TYR 11 HN TYR 11 7.237 -4.293 -1.500
82 HA TYR 11 HA TYR 11 8.167 -2.104 0.156
83 1HB TYR 11 2HB TYR 11 6.258 -2.366 -2.163
84 2HB TYR 11 3HB TYR 11 6.249 -0.912 -1.176
85 HD1 TYR 11 HD1 TYR 11 8.313 0.465 -0.854
86 HD2 TYR 11 HD2 TYR 11 7.992 -2.588 -3.865
87 HE1 TYR 11 HE1 TYR 11 10.384 1.296 -1.917
88 HE2 TYR 11 HE2 TYR 11 10.127 -1.837 -4.867
89 HH TYR 11 HOH TYR 11 11.970 0.930 -3.531
90 H ILE 12 HN ILE 12 7.611 -2.834 2.223
91 HA ILE 12 HA ILE 12 4.999 -3.190 3.183
92 HB ILE 12 HB ILE 12 7.526 -2.178 4.483
93 1HG1 ILE 12 2HG1 ILE 12 5.810 -4.673 4.897
94 2HG1 ILE 12 3HG1 ILE 12 7.125 -4.593 3.726
95 1HG2 ILE 12 2HG2 ILE 12 4.794 -2.499 5.812
96 2HG2 ILE 12 3HG2 ILE 12 6.324 -2.378 6.701
97 3HG2 ILE 12 1HG2 ILE 12 5.770 -1.016 5.755
98 1HD1 ILE 12 1HD1 ILE 12 8.748 -4.148 5.523
99 2HD1 ILE 12 2HD1 ILE 12 7.452 -4.306 6.735
100 3HD1 ILE 12 3HD1 ILE 12 7.893 -5.690 5.726
101 H TYR 13 HN TYR 13 3.316 -1.968 2.917
102 HA TYR 13 HA TYR 13 3.444 0.916 2.424
103 1HB TYR 13 2HB TYR 13 1.776 -0.426 1.280
104 2HB TYR 13 3HB TYR 13 1.191 -1.089 2.808
105 HD1 TYR 13 HD2 TYR 13 -0.098 0.293 4.373
106 HD2 TYR 13 HD1 TYR 13 0.809 1.599 0.436
107 HE1 TYR 13 HE2 TYR 13 -1.572 2.269 4.695
108 HE2 TYR 13 HE1 TYR 13 -0.326 3.788 0.873
109 HH TYR 13 HOH TYR 13 -2.364 4.327 3.774
110 H ASN 14 HN ASN 14 3.208 2.446 4.002
111 HA ASN 14 HA ASN 14 2.465 1.602 6.763
112 1HB ASN 14 2HB ASN 14 4.908 2.140 6.542
113 2HB ASN 14 3HB ASN 14 4.474 3.727 5.923
114 1HD2 ASN 14 2HND ASN 14 5.126 4.338 9.445
115 2HD2 ASN 14 1HND ASN 14 5.794 4.398 7.820
116 HA PRO 15 HA PRO 15 -0.734 4.354 5.485
117 1HB PRO 15 2HB PRO 15 -2.278 4.383 7.839
118 2HB PRO 15 3HB PRO 15 -2.369 3.147 6.582
119 1HG PRO 15 2HG PRO 15 -0.878 3.101 9.201
120 2HG PRO 15 3HG PRO 15 -1.713 1.758 8.376
121 1HD PRO 15 2HD PRO 15 0.970 2.103 8.407
122 2HD PRO 15 3HD PRO 15 0.174 1.261 7.072
123 H GLU 16 HN GLU 16 0.938 4.832 8.582
124 HA GLU 16 HA GLU 16 0.070 7.504 8.984
125 1HB GLU 16 2HB GLU 16 2.621 6.076 9.812
126 2HB GLU 16 3HB GLU 16 2.034 7.623 10.417
127 1HG GLU 16 2HG GLU 16 -0.169 6.362 11.017
128 2HG GLU 16 3HG GLU 16 0.736 4.866 10.732
129 H ASP 17 HN ASP 17 2.454 6.068 6.879
130 HA ASP 17 HA ASP 17 3.681 8.689 6.136
131 1HB ASP 17 2HB ASP 17 4.186 5.833 5.270
132 2HB ASP 17 3HB ASP 17 5.063 7.230 4.649
133 H GLY 18 HN GLY 18 1.420 6.215 5.016
134 1HA GLY 18 2HA GLY 18 0.107 6.013 3.236
135 2HA GLY 18 3HA GLY 18 0.338 7.719 2.818
136 H ASP 19 HN ASP 19 0.547 7.135 0.620
137 HA ASP 19 HA ASP 19 3.293 6.596 -0.187
138 1HB ASP 19 2HB ASP 19 1.159 4.612 -0.615
139 2HB ASP 19 3HB ASP 19 1.814 5.137 -2.142
140 HA PRO 20 HA PRO 20 0.554 10.040 -1.780
141 1HB PRO 20 2HB PRO 20 2.324 12.149 -1.421
142 2HB PRO 20 3HB PRO 20 1.144 11.570 -0.206
143 1HG PRO 20 2HG PRO 20 4.081 10.888 -0.431
144 2HG PRO 20 3HG PRO 20 3.160 11.313 1.042
145 1HD PRO 20 2HD PRO 20 3.717 8.743 0.436
146 2HD PRO 20 3HD PRO 20 2.119 9.180 1.100
147 H ASP 21 HN ASP 21 4.039 9.405 -2.433
148 HA ASP 21 HA ASP 21 4.379 10.726 -4.818
149 1HB ASP 21 2HB ASP 21 5.448 8.017 -3.877
150 2HB ASP 21 3HB ASP 21 6.177 9.048 -5.111
151 H ASN 22 HN ASN 22 2.636 7.804 -4.089
152 HA ASN 22 HA ASN 22 2.294 6.998 -6.924
153 1HB ASN 22 2HB ASN 22 1.406 5.653 -4.363
154 2HB ASN 22 3HB ASN 22 1.444 4.912 -5.965
155 1HD2 ASN 22 2HND ASN 22 4.694 5.047 -3.469
156 2HD2 ASN 22 1HND ASN 22 3.338 6.070 -3.210
157 H GLY 23 HN GLY 23 0.636 8.249 -4.163
158 1HA GLY 23 2HA GLY 23 -1.093 9.859 -4.997
159 2HA GLY 23 3HA GLY 23 -1.923 8.475 -5.715
160 H VAL 24 HN VAL 24 -0.488 7.740 -2.621
161 HA VAL 24 HA VAL 24 -3.214 7.798 -1.370
162 HB VAL 24 HB VAL 24 -0.799 6.020 -1.012
163 1HG1 VAL 24 2HG1 VAL 24 -3.383 6.213 0.564
164 2HG1 VAL 24 3HG1 VAL 24 -2.356 4.770 0.554
165 3HG1 VAL 24 1HG1 VAL 24 -1.713 6.299 1.191
166 1HG2 VAL 24 3HG2 VAL 24 -2.355 5.607 -2.973
167 2HG2 VAL 24 1HG2 VAL 24 -2.309 4.274 -1.799
168 3HG2 VAL 24 2HG2 VAL 24 -3.683 5.401 -1.822
169 H ASN 25 HN ASN 25 -3.445 9.449 -0.004
170 HA ASN 25 HA ASN 25 -1.242 11.046 0.889
171 1HB ASN 25 2HB ASN 25 -4.215 10.919 1.522
172 2HB ASN 25 3HB ASN 25 -3.153 11.922 2.497
173 1HD2 ASN 25 2HND ASN 25 -3.541 12.973 -1.480
174 2HD2 ASN 25 1HND ASN 25 -3.633 11.278 -1.064
175 HA PRO 26 HA PRO 26 -0.141 8.967 4.692
176 1HB PRO 26 2HB PRO 26 0.207 11.135 6.429
177 2HB PRO 26 3HB PRO 26 1.420 10.442 5.335
178 1HG PRO 26 2HG PRO 26 -0.290 12.881 4.943
179 2HG PRO 26 3HG PRO 26 1.402 12.581 4.421
180 1HD PRO 26 2HD PRO 26 -0.766 12.458 2.723
181 2HD PRO 26 3HD PRO 26 0.707 11.471 2.491
182 H GLY 27 HN GLY 27 -1.104 8.249 6.496
183 1HA GLY 27 2HA GLY 27 -2.694 7.893 8.085
184 2HA GLY 27 3HA GLY 27 -3.464 9.446 7.715
185 H THR 28 HN THR 28 -2.927 7.207 4.924
186 HA THR 28 HA THR 28 -5.857 6.890 4.862
187 HB THR 28 HB THR 28 -3.663 6.185 2.876
188 HG1 THR 28 HG1 THR 28 -3.917 8.383 2.950
189 1HG2 THR 28 1HG2 THR 28 -6.707 6.129 2.729
190 2HG2 THR 28 2HG2 THR 28 -5.628 5.973 1.320
191 3HG2 THR 28 3HG2 THR 28 -5.583 4.754 2.610
192 H ASP 29 HN ASP 29 -6.646 5.203 5.835
193 HA ASP 29 HA ASP 29 -5.219 2.941 6.790
194 1HB ASP 29 2HB ASP 29 -7.575 3.789 7.395
195 2HB ASP 29 3HB ASP 29 -8.127 3.001 5.934
196 H PHE 30 HN PHE 30 -4.716 1.059 5.825
197 HA PHE 30 HA PHE 30 -4.469 0.640 3.078
198 1HB PHE 30 2HB PHE 30 -3.658 -0.733 5.187
199 2HB PHE 30 3HB PHE 30 -5.127 -1.673 4.935
200 HD1 PHE 30 HD1 PHE 30 -1.986 -0.470 3.542
201 HD2 PHE 30 HD2 PHE 30 -5.299 -3.086 2.809
202 HE1 PHE 30 HE1 PHE 30 -0.840 -1.307 1.502
203 HE2 PHE 30 HE2 PHE 30 -4.157 -3.948 0.782
204 HZ PHE 30 HZ PHE 30 -1.837 -3.119 0.240
205 H LYS 31 HN LYS 31 -7.373 0.202 5.187
206 HA LYS 31 HA LYS 31 -8.688 -1.421 3.158
207 1HB LYS 31 2HB LYS 31 -10.637 -1.301 4.449
208 2HB LYS 31 3HB LYS 31 -9.253 -1.513 5.542
209 1HG LYS 31 2HG LYS 31 -9.240 1.027 5.788
210 2HG LYS 31 3HG LYS 31 -10.742 1.036 4.881
211 1HD LYS 31 2HD LYS 31 -11.761 -0.445 6.609
212 2HD LYS 31 3HD LYS 31 -10.214 -0.454 7.471
213 1HE LYS 31 2HE LYS 31 -11.796 1.179 8.511
214 2HE LYS 31 3HE LYS 31 -10.329 1.953 7.903
215 1HZ LYS 31 2HNZ LYS 31 -11.555 2.668 5.946
216 2HZ LYS 31 3HNZ LYS 31 -12.923 1.985 6.503
217 3HZ LYS 31 1HNZ LYS 31 -12.204 3.244 7.296
218 H ASP 32 HN ASP 32 -8.384 2.007 3.854
219 HA ASP 32 HA ASP 32 -10.553 2.839 2.085
220 1HB ASP 32 2HB ASP 32 -8.529 4.350 3.798
221 2HB ASP 32 3HB ASP 32 -9.812 5.114 2.873
222 H ILE 33 HN ILE 33 -7.145 2.062 1.688
223 HA ILE 33 HA ILE 33 -6.386 3.844 -0.223
224 HB ILE 33 HB ILE 33 -5.896 0.926 0.037
225 1HG1 ILE 33 2HG1 ILE 33 -4.487 3.435 0.939
226 2HG1 ILE 33 3HG1 ILE 33 -5.152 2.227 1.961
227 1HG2 ILE 33 1HG2 ILE 33 -5.317 1.723 -2.241
228 2HG2 ILE 33 2HG2 ILE 33 -4.183 2.850 -1.448
229 3HG2 ILE 33 3HG2 ILE 33 -4.001 1.079 -1.257
230 1HD1 ILE 33 3HD1 ILE 33 -3.464 0.568 0.914
231 2HD1 ILE 33 1HD1 ILE 33 -2.633 2.025 0.301
232 3HD1 ILE 33 2HD1 ILE 33 -2.857 1.782 2.040
233 HA PRO 34 HA PRO 34 -9.430 2.988 -3.511
234 1HB PRO 34 2HB PRO 34 -7.246 3.713 -5.399
235 2HB PRO 34 3HB PRO 34 -8.849 4.470 -5.211
236 1HG PRO 34 2HG PRO 34 -6.564 5.719 -4.352
237 2HG PRO 34 3HG PRO 34 -8.130 5.865 -3.502
238 1HD PRO 34 2HD PRO 34 -5.781 4.097 -2.725
239 2HD PRO 34 3HD PRO 34 -6.886 5.077 -1.738
240 H ASP 35 HN ASP 35 -9.848 1.098 -4.773
241 HA ASP 35 HA ASP 35 -7.886 -1.039 -4.630
242 1HB ASP 35 2HB ASP 35 -10.765 -0.757 -5.117
243 2HB ASP 35 3HB ASP 35 -10.001 -1.777 -6.320
244 H ASP 36 HN ASP 36 -8.499 1.495 -6.871
245 HA ASP 36 HA ASP 36 -7.172 0.250 -9.131
246 1HB ASP 36 2HB ASP 36 -7.311 2.627 -9.979
247 2HB ASP 36 3HB ASP 36 -8.873 1.916 -9.548
248 H TRP 37 HN TRP 37 -6.064 1.467 -6.104
249 HA TRP 37 HA TRP 37 -3.637 2.706 -7.118
250 1HB TRP 37 2HB TRP 37 -4.563 3.307 -4.931
251 2HB TRP 37 3HB TRP 37 -4.390 1.638 -4.404
252 HD1 TRP 37 HD TRP 37 -2.077 4.595 -5.254
253 HE1 TRP 37 HNE TRP 37 0.092 4.262 -3.920
254 HE3 TRP 37 HE TRP 37 -2.890 -0.091 -3.606
255 HZ2 TRP 37 HZ1 TRP 37 1.310 2.204 -2.270
256 HZ3 TRP 37 HZ2 TRP 37 -1.235 -1.266 -2.104
257 HH2 TRP 37 HH TRP 37 0.866 -0.108 -1.457
258 H VAL 38 HN VAL 38 -1.537 1.836 -6.976
259 HA VAL 38 HA VAL 38 -1.261 -1.110 -7.035
260 HB VAL 38 HB VAL 38 0.415 -0.557 -8.920
261 1HG1 VAL 38 3HG1 VAL 38 -1.643 -1.840 -9.289
262 2HG1 VAL 38 1HG1 VAL 38 -2.581 -0.341 -9.446
263 3HG1 VAL 38 2HG1 VAL 38 -1.342 -0.751 -10.652
264 1HG2 VAL 38 3HG2 VAL 38 0.286 1.948 -8.652
265 2HG2 VAL 38 1HG2 VAL 38 -0.012 1.374 -10.302
266 3HG2 VAL 38 2HG2 VAL 38 -1.372 1.888 -9.295
267 H CYS 39 HN CYN 39 0.820 -1.878 -6.605
268 HA CYS 39 HA CYN 39 1.962 -0.476 -4.386
269 1HB CYS 39 2HB CYN 39 1.700 -2.727 -4.198
270 2HB CYS 39 3HB CYN 39 2.398 -3.105 -5.766
271 HA PRO 40 HA PRO 40 4.979 1.971 -6.454
272 1HB PRO 40 2HB PRO 40 7.020 2.094 -4.535
273 2HB PRO 40 3HB PRO 40 5.537 3.076 -4.528
274 1HG PRO 40 2HG PRO 40 6.063 0.505 -3.069
275 2HG PRO 40 3HG PRO 40 5.300 1.994 -2.428
276 1HD PRO 40 2HD PRO 40 3.815 -0.105 -3.174
277 2HD PRO 40 3HD PRO 40 3.286 1.541 -3.634
278 H LEU 41 HN LEU 41 6.336 1.443 -8.035
279 HA LEU 41 HA LEU 41 7.743 0.287 -9.378
280 1HB LEU 41 2HB LEU 41 9.286 -0.404 -6.852
281 2HB LEU 41 3HB LEU 41 9.893 -0.346 -8.506
282 HG LEU 41 HG LEU 41 9.030 2.003 -6.774
283 1HD1 LEU 41 2HD1 LEU 41 11.276 1.024 -6.361
284 2HD1 LEU 41 3HD1 LEU 41 11.691 1.257 -8.066
285 3HD1 LEU 41 1HD1 LEU 41 11.385 2.662 -7.025
286 1HD2 LEU 41 3HD2 LEU 41 9.859 1.985 -9.714
287 2HD2 LEU 41 1HD2 LEU 41 8.298 2.529 -9.055
288 3HD2 LEU 41 2HD2 LEU 41 9.769 3.437 -8.693
289 H CYS 42 HN CYN 42 5.417 -1.141 -8.471
290 HA CYS 42 HA CYN 42 6.383 -3.932 -8.863
291 1HB CYS 42 2HB CYN 42 5.684 -3.216 -6.501
292 2HB CYS 42 3HB CYN 42 4.049 -3.081 -7.177
293 H GLY 43 HN GLY 43 4.054 -5.147 -9.324
294 1HA GLY 43 2HA GLY 43 2.608 -3.617 -11.467
295 2HA GLY 43 3HA GLY 43 3.444 -5.128 -11.854
296 H VAL 44 HN VAL 44 1.522 -4.152 -8.955
297 HA VAL 44 HA VAL 44 -0.743 -5.764 -9.731
298 HB VAL 44 HB VAL 44 0.737 -7.524 -8.923
299 1HG1 VAL 44 2HG1 VAL 44 2.205 -6.242 -7.449
300 2HG1 VAL 44 3HG1 VAL 44 0.883 -5.996 -6.289
301 3HG1 VAL 44 1HG1 VAL 44 1.517 -7.626 -6.595
302 1HG2 VAL 44 2HG2 VAL 44 -1.715 -7.678 -8.442
303 2HG2 VAL 44 3HG2 VAL 44 -0.682 -8.591 -7.330
304 3HG2 VAL 44 1HG2 VAL 44 -1.390 -7.060 -6.805
305 H GLY 45 HN GLY 45 -2.502 -5.530 -8.131
306 1HA GLY 45 2HA GLY 45 -2.649 -2.774 -7.182
307 2HA GLY 45 3HA GLY 45 -3.922 -3.990 -7.222
308 H LYS 46 HN LYS 46 -3.907 -2.640 -4.997
309 HA LYS 46 HA LYS 46 -2.389 -3.702 -2.806
310 1HB LYS 46 2HB LYS 46 -4.237 -2.911 -1.416
311 2HB LYS 46 3HB LYS 46 -3.726 -1.678 -2.545
312 1HG LYS 46 2HG LYS 46 -5.661 -2.261 -4.060
313 2HG LYS 46 3HG LYS 46 -6.194 -3.463 -2.876
314 1HD LYS 46 2HD LYS 46 -6.028 -0.457 -2.535
315 2HD LYS 46 3HD LYS 46 -7.457 -1.483 -2.620
316 1HE LYS 46 2HE LYS 46 -6.359 -2.683 -0.495
317 2HE LYS 46 3HE LYS 46 -5.531 -1.156 -0.353
318 1HZ LYS 46 3HNZ LYS 46 -7.850 -0.118 -0.595
319 2HZ LYS 46 1HNZ LYS 46 -8.469 -1.611 -0.386
320 3HZ LYS 46 2HNZ LYS 46 -7.545 -0.904 0.817
321 H ASP 47 HN ASP 47 -4.746 -5.219 -4.795
322 HA ASP 47 HA ASP 47 -6.464 -6.655 -4.435
323 1HB ASP 47 2HB ASP 47 -3.809 -8.095 -4.068
324 2HB ASP 47 3HB ASP 47 -5.338 -8.868 -4.538
325 H GLN 48 HN GLN 48 -4.459 -8.355 -2.154
326 HA GLN 48 HA GLN 48 -5.746 -7.256 0.194
327 1HB GLN 48 2HB GLN 48 -6.485 -9.993 -0.772
328 2HB GLN 48 3HB GLN 48 -6.133 -9.850 0.945
329 1HG GLN 48 2HG GLN 48 -7.995 -7.740 -0.049
330 2HG GLN 48 3HG GLN 48 -8.581 -9.391 -0.188
331 1HE2 GLN 48 2HNE GLN 48 -8.073 -7.741 3.538
332 2HE2 GLN 48 1HNE GLN 48 -7.352 -6.954 2.145
333 H PHE 49 HN PHE 49 -3.478 -6.593 -0.243
334 HA PHE 49 HA PHE 49 -1.174 -8.034 0.437
335 1HB PHE 49 2HB PHE 49 -2.169 -5.239 1.036
336 2HB PHE 49 3HB PHE 49 -0.635 -5.644 1.581
337 HD1 PHE 49 HD2 PHE 49 -1.635 -7.104 -1.708
338 HD2 PHE 49 HD1 PHE 49 0.528 -3.969 0.353
339 HE1 PHE 49 HE2 PHE 49 -0.339 -6.654 -3.731
340 HE2 PHE 49 HE1 PHE 49 1.778 -3.498 -1.731
341 HZ PHE 49 HZ PHE 49 1.421 -4.921 -3.732
342 H GLU 50 HN GLU 50 0.028 -8.107 2.619
343 HA GLU 50 HA GLU 50 -1.932 -9.331 4.532
344 1HB GLU 50 2HB GLU 50 1.023 -9.791 3.983
345 2HB GLU 50 3HB GLU 50 0.248 -10.306 5.479
346 1HG GLU 50 2HG GLU 50 -1.399 -11.631 4.109
347 2HG GLU 50 3HG GLU 50 -0.484 -11.187 2.654
348 H GLU 51 HN GLU 51 -1.741 -8.749 6.841
349 HA GLU 51 HA GLU 51 -1.022 -5.974 7.186
350 1HB GLU 51 2HB GLU 51 -3.064 -6.878 8.114
351 2HB GLU 51 3HB GLU 51 -2.180 -8.153 8.976
352 1HG GLU 51 2HG GLU 51 -1.199 -6.730 10.428
353 2HG GLU 51 3HG GLU 51 -1.530 -5.246 9.505
354 H VAL 52 HN VAL 52 0.660 -5.210 8.510
355 HA VAL 52 HA VAL 52 2.835 -7.098 9.215
356 HB VAL 52 HB VAL 52 2.702 -4.248 8.152
357 1HG1 VAL 52 3HG1 VAL 52 5.040 -5.521 9.635
358 2HG1 VAL 52 1HG1 VAL 52 5.112 -4.022 8.669
359 3HG1 VAL 52 2HG1 VAL 52 4.105 -4.086 10.123
360 1HG2 VAL 52 1HG2 VAL 52 2.937 -6.188 6.632
361 2HG2 VAL 52 2HG2 VAL 52 4.252 -4.990 6.579
362 3HG2 VAL 52 3HG2 VAL 52 4.494 -6.556 7.399
363 H GLU 53 HN GLU 53 2.557 -7.574 11.312
364 HA GLU 53 HA GLU 53 1.189 -5.928 13.167
365 1HB GLU 53 2HB GLU 53 1.754 -7.706 14.699
366 2HB GLU 53 3HB GLU 53 0.992 -8.289 13.219
367 1HG GLU 53 2HG GLU 53 3.291 -9.019 12.407
368 2HG GLU 53 3HG GLU 53 3.942 -8.528 13.970
369 H GLU 54 HN GLU 54 2.804 -4.211 12.487
370 HA GLU 54 HA GLU 54 4.833 -3.789 14.655
371 1HB GLU 54 2HB GLU 54 4.083 -2.009 12.307
372 2HB GLU 54 3HB GLU 54 5.195 -1.600 13.619
373 1HG GLU 54 2HG GLU 54 6.148 -4.083 12.580
374 2HG GLU 54 3HG GLU 54 5.745 -3.094 11.173
No H/Q in entry = 374
Start of MODEL 14
1 1H MET 1 1HN MET 1 -6.150 -0.722 9.379
2 2H MET 1 2HN MET 1 -6.943 0.752 9.305
3 3H MET 1 3HN MET 1 -5.886 0.317 8.177
4 HA MET 1 HA MET 1 -5.273 0.851 11.027
5 1HB MET 1 2HB MET 1 -3.506 2.438 10.068
6 2HB MET 1 3HB MET 1 -4.245 2.164 8.491
7 1HG MET 1 2HG MET 1 -6.335 2.984 9.405
8 2HG MET 1 3HG MET 1 -5.628 3.285 10.981
9 1HE MET 1 2HE MET 1 -2.962 4.716 10.680
10 2HE MET 1 3HE MET 1 -3.444 6.416 10.494
11 3HE MET 1 1HE MET 1 -4.301 5.380 11.651
12 H LYS 2 HN LYS 2 -2.733 0.919 11.078
13 HA LYS 2 HA LYS 2 -0.831 -0.223 11.281
14 1HB LYS 2 2HB LYS 2 -2.294 -2.692 10.379
15 2HB LYS 2 3HB LYS 2 -0.789 -2.596 11.298
16 1HG LYS 2 2HG LYS 2 -1.984 -1.528 13.193
17 2HG LYS 2 3HG LYS 2 -3.534 -1.680 12.306
18 1HD LYS 2 2HD LYS 2 -3.109 -4.044 11.925
19 2HD LYS 2 3HD LYS 2 -1.648 -3.983 12.911
20 1HE LYS 2 2HE LYS 2 -4.557 -3.513 13.804
21 2HE LYS 2 3HE LYS 2 -3.622 -4.990 14.074
22 1HZ LYS 2 2HNZ LYS 2 -2.104 -3.739 15.431
23 2HZ LYS 2 3HNZ LYS 2 -2.946 -2.347 15.187
24 3HZ LYS 2 1HNZ LYS 2 -3.637 -3.592 16.014
25 H LYS 3 HN LYS 3 0.858 -1.508 10.132
26 HA LYS 3 HA LYS 3 1.049 -0.525 7.370
27 1HB LYS 3 2HB LYS 3 2.987 -2.019 9.174
28 2HB LYS 3 3HB LYS 3 3.339 -1.380 7.563
29 1HG LYS 3 2HG LYS 3 2.741 0.904 8.369
30 2HG LYS 3 3HG LYS 3 2.344 0.261 9.920
31 1HD LYS 3 2HD LYS 3 4.466 1.244 10.151
32 2HD LYS 3 3HD LYS 3 4.650 -0.512 10.286
33 1HE LYS 3 2HE LYS 3 5.454 -0.577 7.913
34 2HE LYS 3 3HE LYS 3 5.244 1.176 7.817
35 1HZ LYS 3 3HNZ LYS 3 6.854 1.408 9.571
36 2HZ LYS 3 1HNZ LYS 3 7.099 -0.222 9.605
37 3HZ LYS 3 2HNZ LYS 3 7.498 0.647 8.260
38 H TYR 4 HN TYR 4 1.856 -2.012 5.700
39 HA TYR 4 HA TYR 4 1.038 -4.817 6.041
40 1HB TYR 4 2HB TYR 4 -0.237 -2.999 3.940
41 2HB TYR 4 3HB TYR 4 -0.119 -4.716 3.753
42 HD1 TYR 4 HD1 TYR 4 -1.501 -2.279 6.294
43 HD2 TYR 4 HD2 TYR 4 -1.941 -5.985 4.187
44 HE1 TYR 4 HE1 TYR 4 -3.377 -2.924 7.778
45 HE2 TYR 4 HE2 TYR 4 -3.956 -6.522 5.510
46 HH TYR 4 HOH TYR 4 -5.157 -5.926 7.488
47 H THR 5 HN THR 5 2.061 -6.242 4.626
48 HA THR 5 HA THR 5 4.231 -5.041 2.933
49 HB THR 5 HB THR 5 4.980 -6.555 4.685
50 HG1 THR 5 HG1 THR 5 6.271 -7.785 3.236
51 1HG2 THR 5 3HG2 THR 5 3.522 -8.730 3.140
52 2HG2 THR 5 1HG2 THR 5 4.659 -8.974 4.477
53 3HG2 THR 5 2HG2 THR 5 3.131 -8.138 4.780
54 H CYS 6 HN CYN 6 4.572 -5.502 0.824
55 HA CYS 6 HA CYN 6 2.282 -6.321 -0.791
56 1HB CYS 6 2HB CYN 6 3.593 -4.339 -1.389
57 2HB CYS 6 3HB CYN 6 5.035 -5.335 -1.560
58 H THR 7 HN THR 7 1.964 -8.296 -1.419
59 HA THR 7 HA THR 7 3.156 -10.544 -0.683
60 HB THR 7 HB THR 7 1.683 -10.008 -3.305
61 HG1 THR 7 HG1 THR 7 0.738 -10.426 -0.670
62 1HG2 THR 7 3HG2 THR 7 1.843 -12.510 -1.562
63 2HG2 THR 7 1HG2 THR 7 0.680 -12.251 -2.881
64 3HG2 THR 7 2HG2 THR 7 2.413 -12.335 -3.239
65 H VAL 8 HN VAL 8 3.608 -9.570 -4.161
66 HA VAL 8 HA VAL 8 5.918 -11.458 -4.184
67 HB VAL 8 HB VAL 8 3.994 -12.016 -5.528
68 1HG1 VAL 8 3HG1 VAL 8 3.128 -9.789 -6.155
69 2HG1 VAL 8 1HG1 VAL 8 4.523 -9.541 -7.222
70 3HG1 VAL 8 2HG1 VAL 8 3.371 -10.841 -7.551
71 1HG2 VAL 8 1HG2 VAL 8 6.265 -12.746 -6.180
72 2HG2 VAL 8 2HG2 VAL 8 5.137 -12.622 -7.538
73 3HG2 VAL 8 3HG2 VAL 8 6.371 -11.379 -7.307
74 H CYS 9 HN CYN 9 6.578 -9.206 -2.965
75 HA CYS 9 HA CYN 9 8.186 -7.566 -4.859
76 1HB CYS 9 2HB CYN 9 5.778 -6.894 -4.973
77 2HB CYS 9 3HB CYN 9 5.865 -6.630 -3.227
78 H GLY 10 HN GLY 10 6.729 -7.458 -1.518
79 1HA GLY 10 2HA GLY 10 7.928 -7.703 0.466
80 2HA GLY 10 3HA GLY 10 9.460 -7.367 -0.341
81 H TYR 11 HN TYR 11 7.674 -4.933 -1.630
82 HA TYR 11 HA TYR 11 8.617 -2.942 0.208
83 1HB TYR 11 2HB TYR 11 6.781 -2.960 -2.178
84 2HB TYR 11 3HB TYR 11 6.595 -1.636 -1.048
85 HD1 TYR 11 HD1 TYR 11 8.803 -0.448 -0.224
86 HD2 TYR 11 HD2 TYR 11 8.271 -2.495 -3.981
87 HE1 TYR 11 HE1 TYR 11 10.501 1.021 -1.275
88 HE2 TYR 11 HE2 TYR 11 9.959 -1.046 -5.014
89 HH TYR 11 HOH TYR 11 11.280 0.814 -4.750
90 H ILE 12 HN ILE 12 7.554 -1.774 1.823
91 HA ILE 12 HA ILE 12 5.056 -3.010 2.871
92 HB ILE 12 HB ILE 12 7.561 -2.096 4.252
93 1HG1 ILE 12 2HG1 ILE 12 5.617 -4.377 4.759
94 2HG1 ILE 12 3HG1 ILE 12 6.920 -4.508 3.576
95 1HG2 ILE 12 3HG2 ILE 12 4.772 -2.152 5.505
96 2HG2 ILE 12 1HG2 ILE 12 6.290 -2.119 6.419
97 3HG2 ILE 12 2HG2 ILE 12 5.859 -0.750 5.405
98 1HD1 ILE 12 2HD1 ILE 12 7.326 -4.072 6.564
99 2HD1 ILE 12 3HD1 ILE 12 7.554 -5.572 5.659
100 3HD1 ILE 12 1HD1 ILE 12 8.604 -4.181 5.327
101 H TYR 13 HN TYR 13 3.354 -1.825 2.870
102 HA TYR 13 HA TYR 13 3.451 1.065 2.232
103 1HB TYR 13 2HB TYR 13 1.783 -0.259 1.072
104 2HB TYR 13 3HB TYR 13 1.254 -0.982 2.592
105 HD1 TYR 13 HD2 TYR 13 1.116 2.069 0.508
106 HD2 TYR 13 HD1 TYR 13 -0.258 0.129 4.020
107 HE1 TYR 13 HE2 TYR 13 -0.179 4.118 1.097
108 HE2 TYR 13 HE1 TYR 13 -1.704 2.121 4.585
109 HH TYR 13 HOH TYR 13 -2.482 4.334 3.806
110 H ASN 14 HN ASN 14 2.913 2.614 3.749
111 HA ASN 14 HA ASN 14 2.316 1.752 6.534
112 1HB ASN 14 2HB ASN 14 4.708 2.518 6.223
113 2HB ASN 14 3HB ASN 14 4.106 4.050 5.652
114 1HD2 ASN 14 2HND ASN 14 4.808 4.415 9.309
115 2HD2 ASN 14 1HND ASN 14 5.573 4.579 7.746
116 HA PRO 15 HA PRO 15 -0.979 4.501 5.495
117 1HB PRO 15 2HB PRO 15 -2.469 4.350 7.840
118 2HB PRO 15 3HB PRO 15 -2.539 3.137 6.545
119 1HG PRO 15 2HG PRO 15 -1.004 3.032 9.135
120 2HG PRO 15 3HG PRO 15 -1.829 1.717 8.256
121 1HD PRO 15 2HD PRO 15 0.858 2.150 8.246
122 2HD PRO 15 3HD PRO 15 0.051 1.305 6.913
123 H GLU 16 HN GLU 16 0.817 4.794 8.602
124 HA GLU 16 HA GLU 16 -0.199 7.410 9.133
125 1HB GLU 16 2HB GLU 16 2.380 6.035 9.968
126 2HB GLU 16 3HB GLU 16 1.781 7.574 10.562
127 1HG GLU 16 2HG GLU 16 -0.464 6.011 10.934
128 2HG GLU 16 3HG GLU 16 0.806 4.797 11.146
129 H ASP 17 HN ASP 17 2.239 6.181 6.985
130 HA ASP 17 HA ASP 17 3.346 8.894 6.381
131 1HB ASP 17 2HB ASP 17 4.034 6.129 5.386
132 2HB ASP 17 3HB ASP 17 4.829 7.605 4.859
133 H GLY 18 HN GLY 18 1.212 6.352 5.133
134 1HA GLY 18 2HA GLY 18 -0.051 6.141 3.328
135 2HA GLY 18 3HA GLY 18 0.130 7.855 2.949
136 H ASP 19 HN ASP 19 0.405 7.223 0.738
137 HA ASP 19 HA ASP 19 3.194 6.820 0.013
138 1HB ASP 19 2HB ASP 19 1.189 4.725 -0.509
139 2HB ASP 19 3HB ASP 19 1.876 5.307 -1.998
140 HA PRO 20 HA PRO 20 0.414 10.154 -1.698
141 1HB PRO 20 2HB PRO 20 2.124 12.306 -1.296
142 2HB PRO 20 3HB PRO 20 0.886 11.729 -0.137
143 1HG PRO 20 2HG PRO 20 3.846 11.121 -0.176
144 2HG PRO 20 3HG PRO 20 2.821 11.520 1.234
145 1HD PRO 20 2HD PRO 20 3.512 8.968 0.662
146 2HD PRO 20 3HD PRO 20 1.873 9.350 1.258
147 H ASP 21 HN ASP 21 3.922 9.533 -2.221
148 HA ASP 21 HA ASP 21 4.320 10.861 -4.605
149 1HB ASP 21 2HB ASP 21 5.397 8.201 -3.536
150 2HB ASP 21 3HB ASP 21 6.119 9.136 -4.848
151 H ASN 22 HN ASN 22 2.621 7.897 -3.887
152 HA ASN 22 HA ASN 22 2.359 7.089 -6.731
153 1HB ASN 22 2HB ASN 22 1.433 5.711 -4.199
154 2HB ASN 22 3HB ASN 22 1.482 5.014 -5.813
155 1HD2 ASN 22 2HND ASN 22 4.776 5.131 -3.361
156 2HD2 ASN 22 1HND ASN 22 3.430 6.171 -3.072
157 H GLY 23 HN GLY 23 0.617 8.328 -4.021
158 1HA GLY 23 2HA GLY 23 -1.101 9.927 -4.900
159 2HA GLY 23 3HA GLY 23 -1.899 8.539 -5.649
160 H VAL 24 HN VAL 24 -0.536 7.900 -2.485
161 HA VAL 24 HA VAL 24 -3.298 7.878 -1.311
162 HB VAL 24 HB VAL 24 -0.859 6.128 -0.994
163 1HG1 VAL 24 3HG1 VAL 24 -3.373 6.257 0.685
164 2HG1 VAL 24 1HG1 VAL 24 -2.324 4.830 0.605
165 3HG1 VAL 24 2HG1 VAL 24 -1.682 6.353 1.248
166 1HG2 VAL 24 2HG2 VAL 24 -2.532 5.741 -2.888
167 2HG2 VAL 24 3HG2 VAL 24 -2.405 4.383 -1.743
168 3HG2 VAL 24 1HG2 VAL 24 -3.784 5.499 -1.667
169 H ASN 25 HN ASN 25 -3.586 9.500 0.056
170 HA ASN 25 HA ASN 25 -1.441 11.111 1.057
171 1HB ASN 25 2HB ASN 25 -4.434 10.935 1.565
172 2HB ASN 25 3HB ASN 25 -3.434 11.929 2.611
173 1HD2 ASN 25 2HND ASN 25 -3.727 13.059 -1.349
174 2HD2 ASN 25 1HND ASN 25 -3.915 11.368 -0.952
175 HA PRO 26 HA PRO 26 -0.433 9.021 4.860
176 1HB PRO 26 2HB PRO 26 -0.184 11.146 6.654
177 2HB PRO 26 3HB PRO 26 1.070 10.549 5.552
178 1HG PRO 26 2HG PRO 26 -0.756 12.911 5.209
179 2HG PRO 26 3HG PRO 26 0.959 12.722 4.711
180 1HD PRO 26 2HD PRO 26 -1.153 12.539 2.965
181 2HD PRO 26 3HD PRO 26 0.372 11.635 2.739
182 H GLY 27 HN GLY 27 -1.397 8.264 6.641
183 1HA GLY 27 2HA GLY 27 -3.022 7.779 8.160
184 2HA GLY 27 3HA GLY 27 -3.824 9.328 7.835
185 H THR 28 HN THR 28 -3.157 7.197 4.983
186 HA THR 28 HA THR 28 -6.071 6.818 4.818
187 HB THR 28 HB THR 28 -3.787 6.200 2.909
188 HG1 THR 28 HG1 THR 28 -4.115 8.390 3.000
189 1HG2 THR 28 1HG2 THR 28 -6.822 6.062 2.639
190 2HG2 THR 28 2HG2 THR 28 -5.686 5.962 1.268
191 3HG2 THR 28 3HG2 THR 28 -5.657 4.721 2.537
192 H ASP 29 HN ASP 29 -6.861 5.093 5.722
193 HA ASP 29 HA ASP 29 -5.427 2.831 6.664
194 1HB ASP 29 2HB ASP 29 -7.808 3.626 7.223
195 2HB ASP 29 3HB ASP 29 -8.312 2.882 5.724
196 H PHE 30 HN PHE 30 -4.820 1.016 5.672
197 HA PHE 30 HA PHE 30 -4.478 0.577 2.963
198 1HB PHE 30 2HB PHE 30 -3.836 -0.804 5.133
199 2HB PHE 30 3HB PHE 30 -5.309 -1.710 4.810
200 HD1 PHE 30 HD2 PHE 30 -5.477 -2.914 2.458
201 HD2 PHE 30 HD1 PHE 30 -1.915 -1.046 3.945
202 HE1 PHE 30 HE2 PHE 30 -4.161 -3.890 0.590
203 HE2 PHE 30 HE1 PHE 30 -0.679 -1.761 1.907
204 HZ PHE 30 HZ PHE 30 -1.702 -3.351 0.444
205 H LYS 31 HN LYS 31 -7.471 0.084 4.942
206 HA LYS 31 HA LYS 31 -8.677 -1.536 2.834
207 1HB LYS 31 2HB LYS 31 -10.637 -1.532 4.134
208 2HB LYS 31 3HB LYS 31 -9.243 -1.709 5.223
209 1HG LYS 31 2HG LYS 31 -9.346 0.877 5.446
210 2HG LYS 31 3HG LYS 31 -10.878 0.755 4.618
211 1HD LYS 31 2HD LYS 31 -11.634 -0.821 6.454
212 2HD LYS 31 3HD LYS 31 -10.045 -0.612 7.207
213 1HE LYS 31 2HE LYS 31 -11.744 0.857 8.305
214 2HE LYS 31 3HE LYS 31 -10.429 1.786 7.575
215 1HZ LYS 31 2HNZ LYS 31 -13.041 1.421 6.285
216 2HZ LYS 31 3HNZ LYS 31 -12.528 2.774 7.085
217 3HZ LYS 31 1HNZ LYS 31 -11.792 2.318 5.721
218 H ASP 32 HN ASP 32 -8.487 1.873 3.656
219 HA ASP 32 HA ASP 32 -10.660 2.740 1.912
220 1HB ASP 32 2HB ASP 32 -8.627 4.221 3.644
221 2HB ASP 32 3HB ASP 32 -9.905 5.000 2.729
222 H ILE 33 HN ILE 33 -7.211 2.041 1.563
223 HA ILE 33 HA ILE 33 -6.455 3.838 -0.327
224 HB ILE 33 HB ILE 33 -5.914 0.918 -0.095
225 1HG1 ILE 33 2HG1 ILE 33 -4.568 3.443 0.878
226 2HG1 ILE 33 3HG1 ILE 33 -5.203 2.204 1.878
227 1HG2 ILE 33 3HG2 ILE 33 -5.314 1.720 -2.331
228 2HG2 ILE 33 1HG2 ILE 33 -4.226 2.891 -1.529
229 3HG2 ILE 33 2HG2 ILE 33 -3.991 1.127 -1.333
230 1HD1 ILE 33 1HD1 ILE 33 -3.460 0.613 0.844
231 2HD1 ILE 33 2HD1 ILE 33 -2.673 2.102 0.236
232 3HD1 ILE 33 3HD1 ILE 33 -2.914 1.858 1.971
233 HA PRO 34 HA PRO 34 -9.381 2.898 -3.703
234 1HB PRO 34 2HB PRO 34 -7.260 3.729 -5.592
235 2HB PRO 34 3HB PRO 34 -8.851 4.477 -5.310
236 1HG PRO 34 2HG PRO 34 -6.448 5.621 -4.519
237 2HG PRO 34 3HG PRO 34 -8.013 5.902 -3.703
238 1HD PRO 34 2HD PRO 34 -5.763 4.093 -2.815
239 2HD PRO 34 3HD PRO 34 -6.905 5.072 -1.871
240 H ASP 35 HN ASP 35 -9.689 0.961 -4.997
241 HA ASP 35 HA ASP 35 -7.684 -1.083 -4.971
242 1HB ASP 35 2HB ASP 35 -10.461 -0.624 -6.124
243 2HB ASP 35 3HB ASP 35 -9.478 -1.960 -6.644
244 H ASP 36 HN ASP 36 -8.243 1.665 -7.051
245 HA ASP 36 HA ASP 36 -6.772 0.567 -9.320
246 1HB ASP 36 2HB ASP 36 -7.091 2.921 -10.135
247 2HB ASP 36 3HB ASP 36 -8.598 2.073 -9.763
248 H TRP 37 HN TRP 37 -5.836 1.660 -6.228
249 HA TRP 37 HA TRP 37 -3.459 3.141 -7.046
250 1HB TRP 37 2HB TRP 37 -4.435 3.464 -4.845
251 2HB TRP 37 3HB TRP 37 -4.266 1.745 -4.496
252 HD1 TRP 37 HD TRP 37 -1.923 4.754 -4.993
253 HE1 TRP 37 HNE TRP 37 0.159 4.354 -3.532
254 HE3 TRP 37 HE TRP 37 -2.853 -0.006 -3.591
255 HZ2 TRP 37 HZ1 TRP 37 1.288 2.204 -1.955
256 HZ3 TRP 37 HZ2 TRP 37 -1.270 -1.259 -2.092
257 HH2 TRP 37 HH TRP 37 0.795 -0.145 -1.278
258 H VAL 38 HN VAL 38 -1.300 2.300 -6.661
259 HA VAL 38 HA VAL 38 -0.891 -0.608 -6.766
260 HB VAL 38 HB VAL 38 0.951 0.083 -8.540
261 1HG1 VAL 38 2HG1 VAL 38 -0.774 -1.630 -8.898
262 2HG1 VAL 38 3HG1 VAL 38 -1.964 -0.377 -9.308
263 3HG1 VAL 38 1HG1 VAL 38 -0.555 -0.653 -10.357
264 1HG2 VAL 38 1HG2 VAL 38 0.328 2.509 -8.581
265 2HG2 VAL 38 2HG2 VAL 38 0.271 1.723 -10.170
266 3HG2 VAL 38 3HG2 VAL 38 -1.235 2.059 -9.306
267 H CYS 39 HN CYN 39 1.295 -1.191 -6.062
268 HA CYS 39 HA CYN 39 2.283 0.745 -4.101
269 1HB CYS 39 2HB CYN 39 3.143 -1.076 -2.959
270 2HB CYS 39 3HB CYN 39 1.671 -1.703 -3.657
271 HA PRO 40 HA PRO 40 5.510 2.146 -6.427
272 1HB PRO 40 2HB PRO 40 7.786 2.285 -4.907
273 2HB PRO 40 3HB PRO 40 6.309 3.231 -4.585
274 1HG PRO 40 2HG PRO 40 7.158 0.641 -3.289
275 2HG PRO 40 3HG PRO 40 6.565 2.125 -2.486
276 1HD PRO 40 2HD PRO 40 4.993 -0.019 -3.026
277 2HD PRO 40 3HD PRO 40 4.328 1.646 -3.097
278 H LEU 41 HN LEU 41 6.359 1.273 -8.194
279 HA LEU 41 HA LEU 41 7.666 0.125 -9.626
280 1HB LEU 41 2HB LEU 41 9.371 -0.863 -7.329
281 2HB LEU 41 3HB LEU 41 9.826 -0.594 -9.008
282 HG LEU 41 HG LEU 41 9.239 1.506 -6.881
283 1HD1 LEU 41 1HD1 LEU 41 11.436 0.329 -6.785
284 2HD1 LEU 41 2HD1 LEU 41 11.769 0.851 -8.446
285 3HD1 LEU 41 3HD1 LEU 41 11.600 2.058 -7.154
286 1HD2 LEU 41 1HD2 LEU 41 9.925 1.885 -9.842
287 2HD2 LEU 41 2HD2 LEU 41 8.411 2.374 -9.052
288 3HD2 LEU 41 3HD2 LEU 41 9.927 3.176 -8.621
289 H CYS 42 HN CYN 42 5.329 -1.175 -8.944
290 HA CYS 42 HA CYN 42 6.109 -4.038 -9.125
291 1HB CYS 42 2HB CYN 42 5.484 -3.211 -6.787
292 2HB CYS 42 3HB CYN 42 3.842 -2.996 -7.436
293 H GLY 43 HN GLY 43 3.828 -5.197 -9.526
294 1HA GLY 43 2HA GLY 43 2.613 -3.883 -11.940
295 2HA GLY 43 3HA GLY 43 2.702 -5.620 -11.635
296 H VAL 44 HN VAL 44 1.320 -6.556 -9.990
297 HA VAL 44 HA VAL 44 -1.204 -5.079 -9.692
298 HB VAL 44 HB VAL 44 -1.180 -7.394 -10.504
299 1HG1 VAL 44 3HG1 VAL 44 0.603 -8.313 -8.915
300 2HG1 VAL 44 1HG1 VAL 44 -0.662 -8.331 -7.663
301 3HG1 VAL 44 2HG1 VAL 44 -0.862 -9.288 -9.127
302 1HG2 VAL 44 1HG2 VAL 44 -2.704 -6.831 -7.935
303 2HG2 VAL 44 2HG2 VAL 44 -3.192 -6.394 -9.584
304 3HG2 VAL 44 3HG2 VAL 44 -3.110 -8.100 -9.110
305 H GLY 45 HN GLY 45 -1.118 -3.582 -8.123
306 1HA GLY 45 2HA GLY 45 0.070 -4.280 -5.468
307 2HA GLY 45 3HA GLY 45 -0.073 -2.650 -6.125
308 H LYS 46 HN LYS 46 -1.241 -3.933 -3.678
309 HA LYS 46 HA LYS 46 -3.079 -4.114 -2.465
310 1HB LYS 46 2HB LYS 46 -3.676 -1.973 -2.516
311 2HB LYS 46 3HB LYS 46 -3.870 -1.895 -4.277
312 1HG LYS 46 2HG LYS 46 -5.998 -2.703 -4.277
313 2HG LYS 46 3HG LYS 46 -5.883 -3.508 -2.708
314 1HD LYS 46 2HD LYS 46 -5.761 -0.496 -2.952
315 2HD LYS 46 3HD LYS 46 -7.273 -1.399 -2.921
316 1HE LYS 46 2HE LYS 46 -6.055 -2.570 -0.772
317 2HE LYS 46 3HE LYS 46 -5.349 -0.989 -0.703
318 1HZ LYS 46 3HNZ LYS 46 -7.740 -0.143 -0.912
319 2HZ LYS 46 1HNZ LYS 46 -8.246 -1.677 -0.726
320 3HZ LYS 46 2HNZ LYS 46 -7.389 -0.920 0.494
321 H ASP 47 HN ASP 47 -3.563 -6.162 -2.527
322 HA ASP 47 HA ASP 47 -6.137 -6.758 -3.820
323 1HB ASP 47 2HB ASP 47 -3.632 -8.430 -4.218
324 2HB ASP 47 3HB ASP 47 -5.149 -9.274 -3.866
325 H GLN 48 HN GLN 48 -3.785 -8.655 -2.024
326 HA GLN 48 HA GLN 48 -5.322 -8.429 0.505
327 1HB GLN 48 2HB GLN 48 -6.173 -10.271 -1.008
328 2HB GLN 48 3HB GLN 48 -4.626 -11.089 -0.838
329 1HG GLN 48 2HG GLN 48 -6.134 -10.258 1.663
330 2HG GLN 48 3HG GLN 48 -6.826 -11.546 0.680
331 1HE2 GLN 48 2HNE GLN 48 -4.310 -12.808 3.325
332 2HE2 GLN 48 1HNE GLN 48 -5.380 -11.424 3.460
333 H PHE 49 HN PHE 49 -3.203 -7.063 0.268
334 HA PHE 49 HA PHE 49 -0.618 -8.178 0.720
335 1HB PHE 49 2HB PHE 49 -1.979 -5.530 1.403
336 2HB PHE 49 3HB PHE 49 -0.371 -5.787 1.878
337 HD1 PHE 49 HD1 PHE 49 -1.299 -7.210 -1.439
338 HD2 PHE 49 HD2 PHE 49 0.675 -4.057 0.766
339 HE1 PHE 49 HE1 PHE 49 -0.267 -6.371 -3.508
340 HE2 PHE 49 HE2 PHE 49 1.517 -3.120 -1.356
341 HZ PHE 49 HZ PHE 49 1.120 -4.307 -3.464
342 H GLU 50 HN GLU 50 0.561 -8.364 2.815
343 HA GLU 50 HA GLU 50 -1.240 -9.579 4.871
344 1HB GLU 50 2HB GLU 50 1.726 -9.771 4.257
345 2HB GLU 50 3HB GLU 50 1.099 -10.182 5.858
346 1HG GLU 50 2HG GLU 50 -0.424 -11.834 4.807
347 2HG GLU 50 3HG GLU 50 0.287 -11.468 3.223
348 H GLU 51 HN GLU 51 -1.014 -8.867 7.146
349 HA GLU 51 HA GLU 51 -0.621 -5.991 7.347
350 1HB GLU 51 2HB GLU 51 -2.572 -6.997 8.336
351 2HB GLU 51 3HB GLU 51 -1.604 -8.217 9.182
352 1HG GLU 51 2HG GLU 51 -0.594 -6.597 10.554
353 2HG GLU 51 3HG GLU 51 -1.404 -5.235 9.762
354 H VAL 52 HN VAL 52 0.971 -5.016 8.652
355 HA VAL 52 HA VAL 52 3.276 -6.654 9.557
356 HB VAL 52 HB VAL 52 2.961 -3.925 8.271
357 1HG1 VAL 52 2HG1 VAL 52 5.320 -4.927 9.923
358 2HG1 VAL 52 3HG1 VAL 52 5.344 -3.494 8.863
359 3HG1 VAL 52 1HG1 VAL 52 4.304 -3.517 10.291
360 1HG2 VAL 52 2HG2 VAL 52 3.391 -5.836 6.825
361 2HG2 VAL 52 3HG2 VAL 52 4.694 -4.630 6.851
362 3HG2 VAL 52 1HG2 VAL 52 4.892 -6.173 7.724
363 H GLU 53 HN GLU 53 2.933 -6.978 11.667
364 HA GLU 53 HA GLU 53 1.435 -5.355 13.410
365 1HB GLU 53 2HB GLU 53 2.273 -6.924 15.079
366 2HB GLU 53 3HB GLU 53 1.589 -7.718 13.660
367 1HG GLU 53 2HG GLU 53 3.998 -8.096 12.842
368 2HG GLU 53 3HG GLU 53 4.546 -7.440 14.369
369 H GLU 54 HN GLU 54 2.643 -3.415 12.734
370 HA GLU 54 HA GLU 54 5.041 -2.625 14.200
371 1HB GLU 54 2HB GLU 54 4.231 -0.317 13.925
372 2HB GLU 54 3HB GLU 54 4.385 -1.203 12.406
373 1HG GLU 54 2HG GLU 54 1.959 -1.489 12.254
374 2HG GLU 54 3HG GLU 54 1.748 -0.821 13.883
No H/Q in entry = 374
Start of MODEL 15
1 1H MET 1 1HN MET 1 -0.982 3.446 12.539
2 2H MET 1 2HN MET 1 -1.311 3.862 11.048
3 3H MET 1 3HN MET 1 -2.352 4.306 12.246
4 HA MET 1 HA MET 1 -3.038 2.011 12.534
5 1HB MET 1 2HB MET 1 -3.860 3.603 10.475
6 2HB MET 1 3HB MET 1 -3.067 2.385 9.543
7 1HG MET 1 2HG MET 1 -4.915 1.299 11.505
8 2HG MET 1 3HG MET 1 -5.639 2.225 10.188
9 1HE MET 1 2HE MET 1 -6.993 -0.022 9.834
10 2HE MET 1 3HE MET 1 -6.271 -1.519 9.198
11 3HE MET 1 1HE MET 1 -6.008 -1.049 10.896
12 H LYS 2 HN LYS 2 -2.958 -0.236 11.321
13 HA LYS 2 HA LYS 2 -0.238 -1.101 11.531
14 1HB LYS 2 2HB LYS 2 -2.758 -2.456 10.489
15 2HB LYS 2 3HB LYS 2 -1.169 -3.210 10.557
16 1HG LYS 2 2HG LYS 2 -1.635 -2.039 13.160
17 2HG LYS 2 3HG LYS 2 -3.121 -2.858 12.652
18 1HD LYS 2 2HD LYS 2 -1.442 -4.807 11.930
19 2HD LYS 2 3HD LYS 2 -0.281 -3.979 12.959
20 1HE LYS 2 2HE LYS 2 -3.061 -4.918 13.815
21 2HE LYS 2 3HE LYS 2 -1.634 -5.951 13.876
22 1HZ LYS 2 3HNZ LYS 2 -0.558 -4.312 15.317
23 2HZ LYS 2 1HNZ LYS 2 -1.922 -3.425 15.368
24 3HZ LYS 2 2HNZ LYS 2 -1.905 -4.945 16.012
25 H LYS 3 HN LYS 3 1.189 -1.665 10.031
26 HA LYS 3 HA LYS 3 1.060 -0.534 7.345
27 1HB LYS 3 2HB LYS 3 3.075 -2.175 8.873
28 2HB LYS 3 3HB LYS 3 3.384 -1.408 7.298
29 1HG LYS 3 2HG LYS 3 2.931 0.803 8.318
30 2HG LYS 3 3HG LYS 3 2.607 0.054 9.866
31 1HD LYS 3 2HD LYS 3 4.904 -0.989 9.789
32 2HD LYS 3 3HD LYS 3 5.292 0.072 8.422
33 1HE LYS 3 2HE LYS 3 4.988 2.072 9.822
34 2HE LYS 3 3HE LYS 3 4.215 1.115 11.089
35 1HZ LYS 3 2HNZ LYS 3 6.531 -0.097 10.994
36 2HZ LYS 3 3HNZ LYS 3 7.020 1.492 10.724
37 3HZ LYS 3 1HNZ LYS 3 6.088 0.981 12.034
38 H TYR 4 HN TYR 4 1.931 -2.080 5.603
39 HA TYR 4 HA TYR 4 0.857 -4.790 5.881
40 1HB TYR 4 2HB TYR 4 -0.223 -2.964 3.662
41 2HB TYR 4 3HB TYR 4 -0.308 -4.697 3.677
42 HD1 TYR 4 HD2 TYR 4 -1.361 -1.837 5.943
43 HD2 TYR 4 HD1 TYR 4 -2.182 -5.789 4.413
44 HE1 TYR 4 HE2 TYR 4 -3.396 -1.960 7.318
45 HE2 TYR 4 HE1 TYR 4 -4.219 -5.890 5.773
46 HH TYR 4 HOH TYR 4 -5.327 -4.907 7.599
47 H THR 5 HN THR 5 2.118 -6.322 4.803
48 HA THR 5 HA THR 5 4.427 -5.377 3.219
49 HB THR 5 HB THR 5 3.621 -8.262 3.738
50 HG1 THR 5 HG1 THR 5 5.132 -6.516 5.373
51 1HG2 THR 5 3HG2 THR 5 6.332 -6.902 3.292
52 2HG2 THR 5 1HG2 THR 5 6.082 -8.617 3.678
53 3HG2 THR 5 2HG2 THR 5 5.504 -7.966 2.144
54 H CYS 6 HN CYN 6 4.743 -5.729 1.037
55 HA CYS 6 HA CYN 6 2.523 -6.357 -0.740
56 1HB CYS 6 2HB CYN 6 4.451 -4.741 -1.113
57 2HB CYS 6 3HB CYN 6 5.484 -6.153 -1.325
58 H THR 7 HN THR 7 3.481 -8.037 -2.603
59 HA THR 7 HA THR 7 3.280 -10.624 -1.210
60 HB THR 7 HB THR 7 3.212 -9.914 -4.169
61 HG1 THR 7 HG1 THR 7 1.545 -9.169 -2.565
62 1HG2 THR 7 1HG2 THR 7 2.383 -12.472 -2.715
63 2HG2 THR 7 2HG2 THR 7 2.085 -12.106 -4.423
64 3HG2 THR 7 3HG2 THR 7 3.741 -12.348 -3.852
65 H VAL 8 HN VAL 8 5.159 -10.538 -4.191
66 HA VAL 8 HA VAL 8 7.398 -11.799 -2.767
67 HB VAL 8 HB VAL 8 6.415 -12.766 -4.803
68 1HG1 VAL 8 1HG1 VAL 8 5.916 -10.687 -6.093
69 2HG1 VAL 8 2HG1 VAL 8 7.659 -10.426 -6.316
70 3HG1 VAL 8 3HG1 VAL 8 6.876 -11.851 -7.012
71 1HG2 VAL 8 1HG2 VAL 8 8.738 -13.271 -4.117
72 2HG2 VAL 8 2HG2 VAL 8 8.506 -13.368 -5.870
73 3HG2 VAL 8 3HG2 VAL 8 9.328 -11.963 -5.165
74 H CYS 9 HN CYN 9 6.597 -8.844 -4.338
75 HA CYS 9 HA CYN 9 8.804 -7.405 -4.969
76 1HB CYS 9 2HB CYN 9 6.407 -6.850 -5.107
77 2HB CYS 9 3HB CYN 9 6.385 -6.696 -3.346
78 H GLY 10 HN GLY 10 7.408 -7.562 -1.645
79 1HA GLY 10 2HA GLY 10 8.684 -7.848 0.316
80 2HA GLY 10 3HA GLY 10 10.127 -7.221 -0.476
81 H TYR 11 HN TYR 11 8.051 -4.928 -1.504
82 HA TYR 11 HA TYR 11 8.815 -3.073 0.538
83 1HB TYR 11 2HB TYR 11 6.870 -2.939 -1.785
84 2HB TYR 11 3HB TYR 11 6.926 -1.637 -0.610
85 HD1 TYR 11 HD2 TYR 11 9.484 -0.891 0.051
86 HD2 TYR 11 HD1 TYR 11 8.028 -2.270 -3.758
87 HE1 TYR 11 HE2 TYR 11 11.443 0.126 -1.073
88 HE2 TYR 11 HE1 TYR 11 10.045 -1.382 -4.858
89 HH TYR 11 HOH TYR 11 12.001 -0.205 -4.586
90 H ILE 12 HN ILE 12 7.384 -1.749 1.840
91 HA ILE 12 HA ILE 12 5.019 -3.169 2.923
92 HB ILE 12 HB ILE 12 7.386 -1.988 4.395
93 1HG1 ILE 12 2HG1 ILE 12 5.669 -4.460 4.880
94 2HG1 ILE 12 3HG1 ILE 12 7.114 -4.466 3.862
95 1HG2 ILE 12 2HG2 ILE 12 4.557 -2.266 5.493
96 2HG2 ILE 12 3HG2 ILE 12 5.997 -1.992 6.494
97 3HG2 ILE 12 1HG2 ILE 12 5.491 -0.756 5.366
98 1HD1 ILE 12 2HD1 ILE 12 8.485 -3.775 5.813
99 2HD1 ILE 12 3HD1 ILE 12 7.045 -3.907 6.854
100 3HD1 ILE 12 1HD1 ILE 12 7.673 -5.338 6.028
101 H TYR 13 HN TYR 13 3.268 -1.944 2.787
102 HA TYR 13 HA TYR 13 3.431 0.938 2.141
103 1HB TYR 13 2HB TYR 13 1.700 -0.308 1.017
104 2HB TYR 13 3HB TYR 13 1.148 -1.029 2.529
105 HD1 TYR 13 HD2 TYR 13 1.214 2.083 0.527
106 HD2 TYR 13 HD1 TYR 13 -0.419 0.088 3.905
107 HE1 TYR 13 HE2 TYR 13 0.037 4.182 1.158
108 HE2 TYR 13 HE1 TYR 13 -1.706 2.152 4.529
109 HH TYR 13 HOH TYR 13 -2.376 4.367 3.799
110 H ASN 14 HN ASN 14 3.160 2.508 3.687
111 HA ASN 14 HA ASN 14 2.512 1.688 6.471
112 1HB ASN 14 2HB ASN 14 4.877 2.359 6.269
113 2HB ASN 14 3HB ASN 14 4.381 3.900 5.572
114 1HD2 ASN 14 2HND ASN 14 4.966 4.602 9.137
115 2HD2 ASN 14 1HND ASN 14 5.744 4.589 7.575
116 HA PRO 15 HA PRO 15 -0.848 4.423 5.416
117 1HB PRO 15 2HB PRO 15 -2.162 4.341 7.929
118 2HB PRO 15 3HB PRO 15 -2.482 3.178 6.648
119 1HG PRO 15 2HG PRO 15 -0.810 2.869 9.060
120 2HG PRO 15 3HG PRO 15 -1.638 1.615 8.076
121 1HD PRO 15 2HD PRO 15 1.054 2.106 8.151
122 2HD PRO 15 3HD PRO 15 0.256 1.254 6.827
123 H GLU 16 HN GLU 16 0.951 4.698 8.443
124 HA GLU 16 HA GLU 16 -0.039 7.300 9.055
125 1HB GLU 16 2HB GLU 16 2.505 5.873 9.904
126 2HB GLU 16 3HB GLU 16 1.798 7.315 10.617
127 1HG GLU 16 2HG GLU 16 -0.395 5.890 10.850
128 2HG GLU 16 3HG GLU 16 0.635 4.481 10.471
129 H ASP 17 HN ASP 17 2.376 6.121 6.917
130 HA ASP 17 HA ASP 17 3.519 8.832 6.340
131 1HB ASP 17 2HB ASP 17 4.172 6.069 5.283
132 2HB ASP 17 3HB ASP 17 4.961 7.553 4.774
133 H GLY 18 HN GLY 18 1.377 6.319 5.044
134 1HA GLY 18 2HA GLY 18 0.133 6.137 3.227
135 2HA GLY 18 3HA GLY 18 0.252 7.867 2.913
136 H ASP 19 HN ASP 19 0.495 7.294 0.686
137 HA ASP 19 HA ASP 19 3.286 6.969 -0.149
138 1HB ASP 19 2HB ASP 19 1.187 4.938 -0.705
139 2HB ASP 19 3HB ASP 19 1.940 5.536 -2.163
140 HA PRO 20 HA PRO 20 0.408 10.357 -1.602
141 1HB PRO 20 2HB PRO 20 2.088 12.518 -1.156
142 2HB PRO 20 3HB PRO 20 0.932 11.846 0.035
143 1HG PRO 20 2HG PRO 20 3.896 11.291 -0.214
144 2HG PRO 20 3HG PRO 20 2.960 11.621 1.274
145 1HD PRO 20 2HD PRO 20 3.623 9.101 0.562
146 2HD PRO 20 3HD PRO 20 2.013 9.446 1.252
147 H ASP 21 HN ASP 21 3.910 9.845 -2.289
148 HA ASP 21 HA ASP 21 4.169 11.300 -4.619
149 1HB ASP 21 2HB ASP 21 5.368 8.618 -3.766
150 2HB ASP 21 3HB ASP 21 6.016 9.681 -5.016
151 H ASN 22 HN ASN 22 2.527 8.300 -3.977
152 HA ASN 22 HA ASN 22 2.206 7.604 -6.844
153 1HB ASN 22 2HB ASN 22 1.525 5.968 -4.380
154 2HB ASN 22 3HB ASN 22 1.682 5.393 -6.037
155 1HD2 ASN 22 2HND ASN 22 4.958 5.815 -3.624
156 2HD2 ASN 22 1HND ASN 22 3.438 6.487 -3.156
157 H GLY 23 HN GLY 23 0.526 8.712 -4.044
158 1HA GLY 23 2HA GLY 23 -1.318 10.204 -4.843
159 2HA GLY 23 3HA GLY 23 -2.072 8.773 -5.556
160 H VAL 24 HN VAL 24 -0.576 8.004 -2.546
161 HA VAL 24 HA VAL 24 -3.278 7.898 -1.246
162 HB VAL 24 HB VAL 24 -0.752 6.268 -0.988
163 1HG1 VAL 24 1HG1 VAL 24 -3.344 6.091 0.575
164 2HG1 VAL 24 2HG1 VAL 24 -2.121 4.808 0.505
165 3HG1 VAL 24 3HG1 VAL 24 -1.705 6.373 1.225
166 1HG2 VAL 24 3HG2 VAL 24 -2.179 5.806 -2.988
167 2HG2 VAL 24 1HG2 VAL 24 -2.164 4.447 -1.849
168 3HG2 VAL 24 2HG2 VAL 24 -3.566 5.538 -1.920
169 H ASN 25 HN ASN 25 -3.552 9.547 0.141
170 HA ASN 25 HA ASN 25 -1.376 11.158 1.080
171 1HB ASN 25 2HB ASN 25 -4.353 10.991 1.664
172 2HB ASN 25 3HB ASN 25 -3.322 11.984 2.682
173 1HD2 ASN 25 1HND ASN 25 -3.729 11.400 -0.898
174 2HD2 ASN 25 2HND ASN 25 -3.632 13.101 -1.285
175 HA PRO 26 HA PRO 26 -0.251 9.055 4.841
176 1HB PRO 26 2HB PRO 26 -0.001 11.192 6.644
177 2HB PRO 26 3HB PRO 26 1.254 10.568 5.558
178 1HG PRO 26 2HG PRO 26 -0.512 12.965 5.206
179 2HG PRO 26 3HG PRO 26 1.181 12.707 4.668
180 1HD PRO 26 2HD PRO 26 -1.006 12.581 2.986
181 2HD PRO 26 3HD PRO 26 0.498 11.657 2.709
182 H GLY 27 HN GLY 27 -1.183 8.249 6.626
183 1HA GLY 27 2HA GLY 27 -2.763 7.799 8.219
184 2HA GLY 27 3HA GLY 27 -3.569 9.343 7.895
185 H THR 28 HN THR 28 -2.989 7.232 5.022
186 HA THR 28 HA THR 28 -5.904 6.832 4.962
187 HB THR 28 HB THR 28 -3.691 6.237 2.956
188 HG1 THR 28 HG1 THR 28 -3.983 8.428 3.086
189 1HG2 THR 28 1HG2 THR 28 -6.722 6.181 2.782
190 2HG2 THR 28 2HG2 THR 28 -5.628 6.046 1.383
191 3HG2 THR 28 3HG2 THR 28 -5.609 4.799 2.649
192 H ASP 29 HN ASP 29 -6.619 5.183 5.968
193 HA ASP 29 HA ASP 29 -5.298 2.806 6.803
194 1HB ASP 29 2HB ASP 29 -7.564 3.665 7.493
195 2HB ASP 29 3HB ASP 29 -8.188 3.141 5.949
196 H PHE 30 HN PHE 30 -4.800 1.036 5.681
197 HA PHE 30 HA PHE 30 -4.537 0.880 2.908
198 1HB PHE 30 2HB PHE 30 -3.696 -0.621 4.899
199 2HB PHE 30 3HB PHE 30 -5.162 -1.563 4.637
200 HD1 PHE 30 HD1 PHE 30 -2.401 0.070 2.776
201 HD2 PHE 30 HD2 PHE 30 -5.020 -3.315 2.912
202 HE1 PHE 30 HE1 PHE 30 -1.119 -0.944 0.917
203 HE2 PHE 30 HE2 PHE 30 -3.843 -4.282 0.960
204 HZ PHE 30 HZ PHE 30 -1.785 -3.111 0.064
205 H LYS 31 HN LYS 31 -7.510 0.324 4.852
206 HA LYS 31 HA LYS 31 -8.732 -1.185 2.663
207 1HB LYS 31 2HB LYS 31 -10.755 -1.091 3.874
208 2HB LYS 31 3HB LYS 31 -9.408 -1.457 4.969
209 1HG LYS 31 2HG LYS 31 -9.352 1.123 5.384
210 2HG LYS 31 3HG LYS 31 -10.895 1.155 4.601
211 1HD LYS 31 2HD LYS 31 -11.672 -0.590 6.319
212 2HD LYS 31 3HD LYS 31 -10.038 -0.485 7.017
213 1HE LYS 31 2HE LYS 31 -10.788 2.193 6.948
214 2HE LYS 31 3HE LYS 31 -12.344 1.425 7.270
215 1HZ LYS 31 1HNZ LYS 31 -11.181 0.360 9.181
216 2HZ LYS 31 2HNZ LYS 31 -9.807 1.177 8.746
217 3HZ LYS 31 3HNZ LYS 31 -11.116 2.018 9.250
218 H ASP 32 HN ASP 32 -8.699 2.219 3.726
219 HA ASP 32 HA ASP 32 -10.643 3.193 1.872
220 1HB ASP 32 2HB ASP 32 -8.517 4.532 3.602
221 2HB ASP 32 3HB ASP 32 -9.630 5.423 2.561
222 H ILE 33 HN ILE 33 -7.214 2.378 1.506
223 HA ILE 33 HA ILE 33 -6.435 4.151 -0.417
224 HB ILE 33 HB ILE 33 -5.924 1.204 -0.170
225 1HG1 ILE 33 2HG1 ILE 33 -4.574 3.736 0.812
226 2HG1 ILE 33 3HG1 ILE 33 -5.226 2.499 1.813
227 1HG2 ILE 33 2HG2 ILE 33 -5.318 1.996 -2.396
228 2HG2 ILE 33 3HG2 ILE 33 -4.209 3.154 -1.598
229 3HG2 ILE 33 1HG2 ILE 33 -4.005 1.389 -1.385
230 1HD1 ILE 33 2HD1 ILE 33 -3.467 0.930 0.761
231 2HD1 ILE 33 3HD1 ILE 33 -2.677 2.420 0.180
232 3HD1 ILE 33 1HD1 ILE 33 -2.929 2.169 1.912
233 HA PRO 34 HA PRO 34 -9.498 3.257 -3.566
234 1HB PRO 34 2HB PRO 34 -7.881 4.159 -5.751
235 2HB PRO 34 3HB PRO 34 -9.140 5.078 -4.903
236 1HG PRO 34 2HG PRO 34 -6.265 5.437 -4.823
237 2HG PRO 34 3HG PRO 34 -7.507 6.373 -3.948
238 1HD PRO 34 2HD PRO 34 -5.720 4.288 -2.908
239 2HD PRO 34 3HD PRO 34 -6.782 5.386 -2.017
240 H ASP 35 HN ASP 35 -9.897 1.462 -4.916
241 HA ASP 35 HA ASP 35 -7.876 -0.571 -4.990
242 1HB ASP 35 2HB ASP 35 -10.716 -0.430 -5.360
243 2HB ASP 35 3HB ASP 35 -10.038 -1.102 -6.844
244 H ASP 36 HN ASP 36 -8.341 2.147 -7.038
245 HA ASP 36 HA ASP 36 -7.068 0.973 -9.360
246 1HB ASP 36 2HB ASP 36 -7.063 3.250 -10.184
247 2HB ASP 36 3HB ASP 36 -8.669 2.822 -9.593
248 H TRP 37 HN TRP 37 -5.949 1.957 -6.251
249 HA TRP 37 HA TRP 37 -3.366 2.951 -7.166
250 1HB TRP 37 2HB TRP 37 -4.340 3.682 -5.020
251 2HB TRP 37 3HB TRP 37 -4.351 2.012 -4.475
252 HD1 TRP 37 HD TRP 37 -1.755 4.745 -5.262
253 HE1 TRP 37 HNE TRP 37 0.390 4.204 -3.953
254 HE3 TRP 37 HE TRP 37 -3.087 0.223 -3.455
255 HZ2 TRP 37 HZ1 TRP 37 1.393 2.044 -2.279
256 HZ3 TRP 37 HZ2 TRP 37 -1.509 -1.133 -2.035
257 HH2 TRP 37 HH TRP 37 0.724 -0.213 -1.454
258 H VAL 38 HN VAL 38 -1.398 1.808 -6.848
259 HA VAL 38 HA VAL 38 -1.477 -1.130 -6.652
260 HB VAL 38 HB VAL 38 -1.877 -0.498 -9.036
261 1HG1 VAL 38 3HG1 VAL 38 -0.582 1.619 -9.107
262 2HG1 VAL 38 1HG1 VAL 38 0.929 0.691 -8.974
263 3HG1 VAL 38 2HG1 VAL 38 -0.116 0.495 -10.392
264 1HG2 VAL 38 1HG2 VAL 38 -0.773 -2.626 -8.487
265 2HG2 VAL 38 2HG2 VAL 38 -0.280 -1.972 -10.053
266 3HG2 VAL 38 3HG2 VAL 38 0.821 -1.849 -8.674
267 H CYS 39 HN CYN 39 0.800 -1.955 -6.527
268 HA CYS 39 HA CYN 39 2.287 -0.791 -4.514
269 1HB CYS 39 2HB CYN 39 2.349 -3.139 -5.649
270 2HB CYS 39 3HB CYN 39 3.523 -2.414 -6.747
271 HA PRO 40 HA PRO 40 4.005 2.767 -6.436
272 1HB PRO 40 2HB PRO 40 6.388 3.198 -5.090
273 2HB PRO 40 3HB PRO 40 4.774 3.464 -4.382
274 1HG PRO 40 2HG PRO 40 6.446 0.974 -4.077
275 2HG PRO 40 3HG PRO 40 5.677 1.963 -2.795
276 1HD PRO 40 2HD PRO 40 4.416 -0.190 -3.676
277 2HD PRO 40 3HD PRO 40 3.476 1.308 -3.510
278 H LEU 41 HN LEU 41 6.203 -0.049 -6.243
279 HA LEU 41 HA LEU 41 7.320 0.665 -8.922
280 1HB LEU 41 2HB LEU 41 8.954 -0.174 -6.504
281 2HB LEU 41 3HB LEU 41 9.598 0.170 -8.114
282 HG LEU 41 HG LEU 41 8.245 2.229 -6.318
283 1HD1 LEU 41 1HD1 LEU 41 11.199 1.673 -6.744
284 2HD1 LEU 41 2HD1 LEU 41 10.522 3.085 -5.902
285 3HD1 LEU 41 3HD1 LEU 41 10.269 1.461 -5.244
286 1HD2 LEU 41 3HD2 LEU 41 8.465 2.555 -8.977
287 2HD2 LEU 41 1HD2 LEU 41 8.839 3.869 -7.857
288 3HD2 LEU 41 2HD2 LEU 41 10.150 2.906 -8.565
289 H CYS 42 HN CYN 42 5.249 -1.174 -8.496
290 HA CYS 42 HA CYN 42 6.355 -3.617 -9.493
291 1HB CYS 42 2HB CYN 42 6.970 -4.369 -7.464
292 2HB CYS 42 3HB CYN 42 5.921 -3.274 -6.597
293 H GLY 43 HN GLY 43 4.278 -5.216 -9.440
294 1HA GLY 43 2HA GLY 43 1.890 -3.610 -10.287
295 2HA GLY 43 3HA GLY 43 2.663 -4.742 -11.404
296 H VAL 44 HN VAL 44 1.503 -4.639 -7.984
297 HA VAL 44 HA VAL 44 -0.058 -7.102 -8.526
298 HB VAL 44 HB VAL 44 2.035 -7.610 -7.216
299 1HG1 VAL 44 3HG1 VAL 44 2.083 -5.533 -5.810
300 2HG1 VAL 44 1HG1 VAL 44 0.642 -6.125 -4.951
301 3HG1 VAL 44 2HG1 VAL 44 2.150 -7.042 -4.879
302 1HG2 VAL 44 3HG2 VAL 44 0.047 -9.071 -7.145
303 2HG2 VAL 44 1HG2 VAL 44 0.908 -9.046 -5.598
304 3HG2 VAL 44 2HG2 VAL 44 -0.601 -8.132 -5.778
305 H GLY 45 HN GLY 45 -2.103 -7.092 -7.638
306 1HA GLY 45 2HA GLY 45 -3.352 -4.557 -7.289
307 2HA GLY 45 3HA GLY 45 -4.074 -6.146 -6.965
308 H LYS 46 HN LYS 46 -4.181 -3.549 -5.397
309 HA LYS 46 HA LYS 46 -2.619 -3.791 -3.075
310 1HB LYS 46 2HB LYS 46 -4.041 -2.228 -2.048
311 2HB LYS 46 3HB LYS 46 -3.762 -1.780 -3.736
312 1HG LYS 46 2HG LYS 46 -5.966 -2.291 -4.412
313 2HG LYS 46 3HG LYS 46 -6.324 -3.201 -2.931
314 1HD LYS 46 2HD LYS 46 -5.878 -0.219 -3.028
315 2HD LYS 46 3HD LYS 46 -7.426 -1.076 -2.981
316 1HE LYS 46 2HE LYS 46 -6.203 -2.311 -0.884
317 2HE LYS 46 3HE LYS 46 -5.421 -0.761 -0.799
318 1HZ LYS 46 2HNZ LYS 46 -7.799 0.184 -0.902
319 2HZ LYS 46 3HNZ LYS 46 -8.344 -1.345 -0.720
320 3HZ LYS 46 1HNZ LYS 46 -7.419 -0.640 0.465
321 H ASP 47 HN ASP 47 -5.721 -5.284 -3.898
322 HA ASP 47 HA ASP 47 -6.207 -6.433 -1.297
323 1HB ASP 47 2HB ASP 47 -8.024 -5.904 -2.904
324 2HB ASP 47 3HB ASP 47 -7.385 -7.123 -4.023
325 H GLN 48 HN GLN 48 -4.008 -7.173 -1.120
326 HA GLN 48 HA GLN 48 -3.670 -9.995 -1.521
327 1HB GLN 48 2HB GLN 48 -3.039 -8.820 -3.860
328 2HB GLN 48 3HB GLN 48 -1.574 -8.365 -2.999
329 1HG GLN 48 2HG GLN 48 -1.057 -10.413 -4.080
330 2HG GLN 48 3HG GLN 48 -1.320 -10.865 -2.394
331 1HE2 GLN 48 2HNE GLN 48 -4.147 -11.898 -5.253
332 2HE2 GLN 48 1HNE GLN 48 -3.121 -10.497 -5.511
333 H PHE 49 HN PHE 49 -2.271 -6.814 -0.837
334 HA PHE 49 HA PHE 49 0.112 -7.591 0.423
335 1HB PHE 49 2HB PHE 49 -1.726 -5.215 0.752
336 2HB PHE 49 3HB PHE 49 -0.235 -5.249 1.571
337 HD1 PHE 49 HD2 PHE 49 -1.328 -5.643 -2.065
338 HD2 PHE 49 HD1 PHE 49 1.563 -4.091 0.763
339 HE1 PHE 49 HE2 PHE 49 -0.300 -4.301 -3.837
340 HE2 PHE 49 HE1 PHE 49 2.662 -2.865 -1.084
341 HZ PHE 49 HZ PHE 49 1.720 -2.939 -3.362
342 H GLU 50 HN GLU 50 0.618 -8.032 2.618
343 HA GLU 50 HA GLU 50 -1.663 -9.129 4.234
344 1HB GLU 50 2HB GLU 50 1.339 -9.694 4.141
345 2HB GLU 50 3HB GLU 50 0.309 -10.226 5.462
346 1HG GLU 50 2HG GLU 50 -1.147 -11.442 3.806
347 2HG GLU 50 3HG GLU 50 -0.027 -10.967 2.515
348 H GLU 51 HN GLU 51 -1.716 -8.597 6.610
349 HA GLU 51 HA GLU 51 -0.983 -5.846 7.078
350 1HB GLU 51 2HB GLU 51 -3.108 -6.741 7.858
351 2HB GLU 51 3HB GLU 51 -2.306 -8.077 8.692
352 1HG GLU 51 2HG GLU 51 -1.335 -6.685 10.253
353 2HG GLU 51 3HG GLU 51 -1.829 -5.177 9.435
354 H VAL 52 HN VAL 52 0.670 -5.046 8.381
355 HA VAL 52 HA VAL 52 2.751 -6.944 9.286
356 HB VAL 52 HB VAL 52 2.681 -4.114 8.222
357 1HG1 VAL 52 3HG1 VAL 52 4.867 -5.330 9.975
358 2HG1 VAL 52 1HG1 VAL 52 5.070 -3.891 8.943
359 3HG1 VAL 52 2HG1 VAL 52 3.928 -3.852 10.287
360 1HG2 VAL 52 2HG2 VAL 52 3.050 -6.065 6.793
361 2HG2 VAL 52 3HG2 VAL 52 4.406 -4.916 6.813
362 3HG2 VAL 52 1HG2 VAL 52 4.520 -6.446 7.719
363 H GLU 53 HN GLU 53 2.242 -7.520 11.276
364 HA GLU 53 HA GLU 53 0.777 -6.020 13.146
365 1HB GLU 53 2HB GLU 53 1.303 -7.875 14.615
366 2HB GLU 53 3HB GLU 53 0.617 -8.367 13.066
367 1HG GLU 53 2HG GLU 53 2.976 -8.982 12.315
368 2HG GLU 53 3HG GLU 53 3.537 -8.574 13.927
369 H GLU 54 HN GLU 54 2.249 -4.172 12.779
370 HA GLU 54 HA GLU 54 4.200 -3.704 14.929
371 1HB GLU 54 2HB GLU 54 2.219 -1.708 13.863
372 2HB GLU 54 3HB GLU 54 3.707 -1.385 14.744
373 1HG GLU 54 2HG GLU 54 4.159 -2.891 12.214
374 2HG GLU 54 3HG GLU 54 3.332 -1.354 11.997
No H/Q in entry = 374
Start of MODEL 16
1 1H MET 1 1HN MET 1 -0.859 3.327 11.690
2 2H MET 1 2HN MET 1 -1.915 4.278 10.905
3 3H MET 1 3HN MET 1 -1.826 4.210 12.565
4 HA MET 1 HA MET 1 -3.148 2.253 12.543
5 1HB MET 1 2HB MET 1 -4.067 3.627 10.434
6 2HB MET 1 3HB MET 1 -3.228 2.422 9.519
7 1HG MET 1 2HG MET 1 -5.008 1.335 11.547
8 2HG MET 1 3HG MET 1 -5.780 2.145 10.181
9 1HE MET 1 3HE MET 1 -7.024 -0.228 9.981
10 2HE MET 1 1HE MET 1 -6.201 -1.709 9.442
11 3HE MET 1 2HE MET 1 -5.958 -1.107 11.099
12 H LYS 2 HN LYS 2 -3.063 -0.162 11.453
13 HA LYS 2 HA LYS 2 -0.323 -0.926 11.729
14 1HB LYS 2 2HB LYS 2 -2.731 -2.446 10.634
15 2HB LYS 2 3HB LYS 2 -1.107 -3.103 10.846
16 1HG LYS 2 2HG LYS 2 -1.658 -1.934 13.356
17 2HG LYS 2 3HG LYS 2 -3.216 -2.595 12.830
18 1HD LYS 2 2HD LYS 2 -1.633 -4.700 12.156
19 2HD LYS 2 3HD LYS 2 -0.534 -4.002 13.321
20 1HE LYS 2 2HE LYS 2 -3.452 -4.829 13.798
21 2HE LYS 2 3HE LYS 2 -2.054 -5.858 14.103
22 1HZ LYS 2 3HNZ LYS 2 -1.259 -4.193 15.686
23 2HZ LYS 2 1HNZ LYS 2 -2.644 -3.319 15.470
24 3HZ LYS 2 2HNZ LYS 2 -2.713 -4.832 16.118
25 H LYS 3 HN LYS 3 1.176 -1.443 10.285
26 HA LYS 3 HA LYS 3 1.073 -0.482 7.550
27 1HB LYS 3 2HB LYS 3 3.036 -2.132 9.158
28 2HB LYS 3 3HB LYS 3 3.378 -1.462 7.545
29 1HG LYS 3 2HG LYS 3 2.956 0.806 8.384
30 2HG LYS 3 3HG LYS 3 2.557 0.208 9.974
31 1HD LYS 3 2HD LYS 3 4.780 -0.772 10.251
32 2HD LYS 3 3HD LYS 3 5.306 -0.060 8.707
33 1HE LYS 3 2HE LYS 3 5.244 2.141 9.559
34 2HE LYS 3 3HE LYS 3 3.995 1.753 10.755
35 1HZ LYS 3 2HNZ LYS 3 6.768 0.840 11.021
36 2HZ LYS 3 3HNZ LYS 3 6.088 2.146 11.787
37 3HZ LYS 3 1HNZ LYS 3 5.496 0.652 12.069
38 H TYR 4 HN TYR 4 1.863 -2.058 5.802
39 HA TYR 4 HA TYR 4 0.876 -4.779 6.169
40 1HB TYR 4 2HB TYR 4 -0.244 -3.170 3.802
41 2HB TYR 4 3HB TYR 4 -0.310 -4.881 4.053
42 HD1 TYR 4 HD2 TYR 4 -1.339 -1.831 6.082
43 HD2 TYR 4 HD1 TYR 4 -2.362 -5.745 4.590
44 HE1 TYR 4 HE2 TYR 4 -3.315 -1.889 7.561
45 HE2 TYR 4 HE1 TYR 4 -4.318 -5.798 6.097
46 HH TYR 4 HOH TYR 4 -4.740 -4.478 8.623
47 H THR 5 HN THR 5 2.131 -6.261 5.075
48 HA THR 5 HA THR 5 4.381 -5.154 3.465
49 HB THR 5 HB THR 5 4.895 -6.760 5.257
50 HG1 THR 5 HG1 THR 5 6.093 -8.156 3.697
51 1HG2 THR 5 2HG2 THR 5 2.914 -8.263 5.069
52 2HG2 THR 5 3HG2 THR 5 3.507 -8.831 3.493
53 3HG2 THR 5 1HG2 THR 5 4.442 -9.143 4.967
54 H CYS 6 HN CYN 6 4.957 -6.113 1.460
55 HA CYS 6 HA CYN 6 2.705 -6.494 -0.403
56 1HB CYS 6 2HB CYN 6 4.742 -5.067 -0.895
57 2HB CYS 6 3HB CYN 6 5.692 -6.558 -0.909
58 H THR 7 HN THR 7 3.102 -8.385 -1.988
59 HA THR 7 HA THR 7 4.118 -10.832 -0.593
60 HB THR 7 HB THR 7 1.647 -10.584 -0.385
61 HG1 THR 7 HG1 THR 7 1.327 -12.681 -0.709
62 1HG2 THR 7 1HG2 THR 7 1.192 -9.561 -2.629
63 2HG2 THR 7 2HG2 THR 7 1.584 -11.123 -3.385
64 3HG2 THR 7 3HG2 THR 7 0.202 -10.992 -2.284
65 H VAL 8 HN VAL 8 5.016 -8.839 -2.810
66 HA VAL 8 HA VAL 8 5.867 -10.949 -4.746
67 HB VAL 8 HB VAL 8 4.744 -8.201 -5.385
68 1HG1 VAL 8 1HG1 VAL 8 6.090 -10.239 -7.218
69 2HG1 VAL 8 2HG1 VAL 8 5.173 -8.819 -7.768
70 3HG1 VAL 8 3HG1 VAL 8 6.667 -8.594 -6.858
71 1HG2 VAL 8 3HG2 VAL 8 3.847 -11.035 -6.076
72 2HG2 VAL 8 1HG2 VAL 8 2.999 -9.875 -5.027
73 3HG2 VAL 8 2HG2 VAL 8 3.143 -9.557 -6.750
74 H CYS 9 HN CYN 9 6.463 -7.458 -3.908
75 HA CYS 9 HA CYN 9 9.377 -8.012 -4.164
76 1HB CYS 9 2HB CYN 9 9.503 -5.509 -4.053
77 2HB CYS 9 3HB CYN 9 8.731 -6.215 -5.479
78 H GLY 10 HN GLY 10 7.952 -5.621 -2.088
79 1HA GLY 10 2HA GLY 10 7.694 -6.806 0.387
80 2HA GLY 10 3HA GLY 10 9.434 -6.483 0.264
81 H TYR 11 HN TYR 11 6.957 -4.409 -1.286
82 HA TYR 11 HA TYR 11 8.271 -2.121 -0.089
83 1HB TYR 11 2HB TYR 11 7.369 -2.552 -2.509
84 2HB TYR 11 3HB TYR 11 5.834 -2.001 -1.891
85 HD1 TYR 11 HD2 TYR 11 6.065 0.367 -0.469
86 HD2 TYR 11 HD1 TYR 11 8.726 -1.039 -3.566
87 HE1 TYR 11 HE2 TYR 11 6.850 2.679 -0.854
88 HE2 TYR 11 HE1 TYR 11 9.509 1.269 -3.937
89 HH TYR 11 HOH TYR 11 9.293 3.481 -3.342
90 H ILE 12 HN ILE 12 7.619 -2.856 2.139
91 HA ILE 12 HA ILE 12 5.093 -3.045 3.139
92 HB ILE 12 HB ILE 12 7.610 -1.961 4.367
93 1HG1 ILE 12 2HG1 ILE 12 5.765 -4.276 5.104
94 2HG1 ILE 12 3HG1 ILE 12 7.017 -4.417 3.866
95 1HG2 ILE 12 2HG2 ILE 12 4.888 -1.970 5.758
96 2HG2 ILE 12 3HG2 ILE 12 6.433 -1.878 6.615
97 3HG2 ILE 12 1HG2 ILE 12 5.956 -0.566 5.565
98 1HD1 ILE 12 3HD1 ILE 12 8.757 -3.908 5.538
99 2HD1 ILE 12 1HD1 ILE 12 7.512 -3.839 6.811
100 3HD1 ILE 12 2HD1 ILE 12 7.806 -5.351 5.941
101 H TYR 13 HN TYR 13 3.321 -1.953 2.944
102 HA TYR 13 HA TYR 13 3.282 0.904 2.290
103 1HB TYR 13 2HB TYR 13 1.588 -0.581 1.346
104 2HB TYR 13 3HB TYR 13 1.122 -1.119 2.969
105 HD1 TYR 13 HD2 TYR 13 -0.152 0.373 4.484
106 HD2 TYR 13 HD1 TYR 13 0.767 1.529 0.463
107 HE1 TYR 13 HE2 TYR 13 -1.617 2.356 4.711
108 HE2 TYR 13 HE1 TYR 13 -0.258 3.768 0.876
109 HH TYR 13 HOH TYR 13 -2.348 4.386 3.738
110 H ASN 14 HN ASN 14 3.023 2.487 3.783
111 HA ASN 14 HA ASN 14 2.464 1.733 6.599
112 1HB ASN 14 2HB ASN 14 4.805 2.261 6.390
113 2HB ASN 14 3HB ASN 14 4.422 3.769 5.542
114 1HD2 ASN 14 2HND ASN 14 4.990 5.181 8.638
115 2HD2 ASN 14 1HND ASN 14 5.909 4.342 7.490
116 HA PRO 15 HA PRO 15 -0.874 4.483 5.460
117 1HB PRO 15 2HB PRO 15 -2.234 4.414 7.937
118 2HB PRO 15 3HB PRO 15 -2.496 3.205 6.690
119 1HG PRO 15 2HG PRO 15 -0.851 3.018 9.134
120 2HG PRO 15 3HG PRO 15 -1.661 1.708 8.206
121 1HD PRO 15 2HD PRO 15 1.040 2.250 8.258
122 2HD PRO 15 3HD PRO 15 0.248 1.327 6.969
123 H GLU 16 HN GLU 16 0.844 4.745 8.534
124 HA GLU 16 HA GLU 16 -0.024 7.364 9.195
125 1HB GLU 16 2HB GLU 16 2.480 5.778 9.871
126 2HB GLU 16 3HB GLU 16 1.995 7.242 10.662
127 1HG GLU 16 2HG GLU 16 -0.396 5.779 10.680
128 2HG GLU 16 3HG GLU 16 0.795 4.461 10.734
129 H ASP 17 HN ASP 17 2.332 6.169 6.968
130 HA ASP 17 HA ASP 17 3.391 8.922 6.421
131 1HB ASP 17 2HB ASP 17 4.391 6.146 5.770
132 2HB ASP 17 3HB ASP 17 5.073 7.623 5.091
133 H GLY 18 HN GLY 18 1.345 6.369 5.129
134 1HA GLY 18 2HA GLY 18 0.106 6.168 3.291
135 2HA GLY 18 3HA GLY 18 0.289 7.893 2.970
136 H ASP 19 HN ASP 19 0.472 7.305 0.749
137 HA ASP 19 HA ASP 19 3.244 6.913 -0.102
138 1HB ASP 19 2HB ASP 19 1.068 4.929 -0.642
139 2HB ASP 19 3HB ASP 19 1.926 5.446 -2.074
140 HA PRO 20 HA PRO 20 0.403 10.284 -1.670
141 1HB PRO 20 2HB PRO 20 2.095 12.440 -1.244
142 2HB PRO 20 3HB PRO 20 0.887 11.824 -0.074
143 1HG PRO 20 2HG PRO 20 3.853 11.255 -0.185
144 2HG PRO 20 3HG PRO 20 2.850 11.606 1.254
145 1HD PRO 20 2HD PRO 20 3.569 9.076 0.592
146 2HD PRO 20 3HD PRO 20 1.949 9.416 1.257
147 H ASP 21 HN ASP 21 3.891 9.633 -2.252
148 HA ASP 21 HA ASP 21 4.250 11.057 -4.607
149 1HB ASP 21 2HB ASP 21 5.388 8.398 -3.597
150 2HB ASP 21 3HB ASP 21 6.071 9.360 -4.910
151 H ASN 22 HN ASN 22 2.567 8.092 -3.906
152 HA ASN 22 HA ASN 22 2.288 7.293 -6.751
153 1HB ASN 22 2HB ASN 22 1.513 5.891 -4.175
154 2HB ASN 22 3HB ASN 22 1.518 5.170 -5.785
155 1HD2 ASN 22 2HND ASN 22 4.946 5.343 -3.596
156 2HD2 ASN 22 1HND ASN 22 3.544 6.222 -3.060
157 H GLY 23 HN GLY 23 0.568 8.527 -4.034
158 1HA GLY 23 2HA GLY 23 -1.208 10.060 -4.856
159 2HA GLY 23 3HA GLY 23 -1.973 8.672 -5.637
160 H VAL 24 HN VAL 24 -0.556 8.094 -2.477
161 HA VAL 24 HA VAL 24 -3.297 7.913 -1.263
162 HB VAL 24 HB VAL 24 -0.790 6.256 -1.011
163 1HG1 VAL 24 2HG1 VAL 24 -3.339 6.189 0.617
164 2HG1 VAL 24 3HG1 VAL 24 -2.223 4.818 0.489
165 3HG1 VAL 24 1HG1 VAL 24 -1.658 6.340 1.202
166 1HG2 VAL 24 1HG2 VAL 24 -2.260 5.798 -2.987
167 2HG2 VAL 24 2HG2 VAL 24 -2.215 4.442 -1.846
168 3HG2 VAL 24 3HG2 VAL 24 -3.623 5.527 -1.886
169 H ASN 25 HN ASN 25 -3.571 9.559 0.101
170 HA ASN 25 HA ASN 25 -1.422 11.165 1.087
171 1HB ASN 25 2HB ASN 25 -4.401 10.960 1.648
172 2HB ASN 25 3HB ASN 25 -3.392 11.938 2.700
173 1HD2 ASN 25 2HND ASN 25 -3.691 13.145 -1.241
174 2HD2 ASN 25 1HND ASN 25 -3.799 11.437 -0.886
175 HA PRO 26 HA PRO 26 -0.319 9.021 4.839
176 1HB PRO 26 2HB PRO 26 0.017 11.099 6.651
177 2HB PRO 26 3HB PRO 26 1.215 10.542 5.464
178 1HG PRO 26 2HG PRO 26 -0.664 12.890 5.273
179 2HG PRO 26 3HG PRO 26 1.039 12.763 4.726
180 1HD PRO 26 2HD PRO 26 -1.113 12.576 3.027
181 2HD PRO 26 3HD PRO 26 0.420 11.704 2.737
182 H GLY 27 HN GLY 27 -1.233 8.284 6.662
183 1HA GLY 27 2HA GLY 27 -2.833 7.830 8.236
184 2HA GLY 27 3HA GLY 27 -3.663 9.354 7.870
185 H THR 28 HN THR 28 -3.022 7.206 5.038
186 HA THR 28 HA THR 28 -5.928 6.727 4.976
187 HB THR 28 HB THR 28 -3.692 6.248 2.963
188 HG1 THR 28 HG1 THR 28 -4.024 8.406 3.074
189 1HG2 THR 28 2HG2 THR 28 -6.714 6.079 2.760
190 2HG2 THR 28 3HG2 THR 28 -5.603 6.016 1.370
191 3HG2 THR 28 1HG2 THR 28 -5.547 4.742 2.608
192 H ASP 29 HN ASP 29 -6.604 5.010 5.920
193 HA ASP 29 HA ASP 29 -5.152 2.690 6.733
194 1HB ASP 29 2HB ASP 29 -7.426 3.469 7.493
195 2HB ASP 29 3HB ASP 29 -8.074 2.935 5.962
196 H PHE 30 HN PHE 30 -4.621 0.931 5.613
197 HA PHE 30 HA PHE 30 -4.410 0.676 2.861
198 1HB PHE 30 2HB PHE 30 -3.602 -0.791 4.889
199 2HB PHE 30 3HB PHE 30 -5.057 -1.735 4.594
200 HD1 PHE 30 HD2 PHE 30 -5.331 -2.757 2.182
201 HD2 PHE 30 HD1 PHE 30 -1.685 -1.001 3.630
202 HE1 PHE 30 HE2 PHE 30 -4.124 -3.561 0.166
203 HE2 PHE 30 HE1 PHE 30 -0.526 -1.688 1.531
204 HZ PHE 30 HZ PHE 30 -1.694 -2.968 -0.119
205 H LYS 31 HN LYS 31 -7.373 0.121 4.877
206 HA LYS 31 HA LYS 31 -8.624 -1.389 2.704
207 1HB LYS 31 2HB LYS 31 -10.578 -1.419 3.984
208 2HB LYS 31 3HB LYS 31 -9.191 -1.695 5.061
209 1HG LYS 31 2HG LYS 31 -9.251 0.849 5.490
210 2HG LYS 31 3HG LYS 31 -10.777 0.859 4.652
211 1HD LYS 31 2HD LYS 31 -11.616 -0.848 6.297
212 2HD LYS 31 3HD LYS 31 -10.022 -0.758 7.107
213 1HE LYS 31 2HE LYS 31 -10.357 1.727 7.423
214 2HE LYS 31 3HE LYS 31 -11.967 1.594 6.720
215 1HZ LYS 31 1HNZ LYS 31 -11.016 0.255 9.162
216 2HZ LYS 31 2HNZ LYS 31 -11.975 1.592 9.114
217 3HZ LYS 31 3HNZ LYS 31 -12.556 0.151 8.554
218 H ASP 32 HN ASP 32 -8.545 1.978 3.828
219 HA ASP 32 HA ASP 32 -10.566 3.010 2.089
220 1HB ASP 32 2HB ASP 32 -8.353 4.320 3.734
221 2HB ASP 32 3HB ASP 32 -9.536 5.209 2.780
222 H ILE 33 HN ILE 33 -7.123 2.201 1.600
223 HA ILE 33 HA ILE 33 -6.425 3.939 -0.376
224 HB ILE 33 HB ILE 33 -5.883 1.004 -0.150
225 1HG1 ILE 33 2HG1 ILE 33 -4.500 3.535 0.778
226 2HG1 ILE 33 3HG1 ILE 33 -5.129 2.330 1.828
227 1HG2 ILE 33 1HG2 ILE 33 -5.354 1.879 -2.393
228 2HG2 ILE 33 2HG2 ILE 33 -4.243 3.024 -1.587
229 3HG2 ILE 33 3HG2 ILE 33 -4.009 1.256 -1.437
230 1HD1 ILE 33 3HD1 ILE 33 -3.436 0.688 0.719
231 2HD1 ILE 33 1HD1 ILE 33 -2.642 2.174 0.122
232 3HD1 ILE 33 2HD1 ILE 33 -2.844 1.898 1.858
233 HA PRO 34 HA PRO 34 -9.578 2.890 -3.417
234 1HB PRO 34 2HB PRO 34 -8.203 3.955 -5.675
235 2HB PRO 34 3HB PRO 34 -9.380 4.787 -4.636
236 1HG PRO 34 2HG PRO 34 -6.482 5.188 -4.785
237 2HG PRO 34 3HG PRO 34 -7.691 6.129 -3.871
238 1HD PRO 34 2HD PRO 34 -5.833 4.103 -2.879
239 2HD PRO 34 3HD PRO 34 -6.895 5.163 -1.950
240 H ASP 35 HN ASP 35 -9.920 1.111 -4.765
241 HA ASP 35 HA ASP 35 -7.983 -0.923 -5.044
242 1HB ASP 35 2HB ASP 35 -10.791 -0.401 -5.773
243 2HB ASP 35 3HB ASP 35 -9.938 -1.198 -7.077
244 H ASP 36 HN ASP 36 -8.500 1.970 -6.882
245 HA ASP 36 HA ASP 36 -7.312 1.168 -9.352
246 1HB ASP 36 2HB ASP 36 -8.596 3.450 -8.259
247 2HB ASP 36 3HB ASP 36 -7.091 3.917 -9.056
248 H TRP 37 HN TRP 37 -5.987 1.831 -6.234
249 HA TRP 37 HA TRP 37 -3.488 3.008 -7.187
250 1HB TRP 37 2HB TRP 37 -4.459 3.614 -5.006
251 2HB TRP 37 3HB TRP 37 -4.367 1.931 -4.509
252 HD1 TRP 37 HD TRP 37 -1.930 4.802 -5.338
253 HE1 TRP 37 HNE TRP 37 0.280 4.342 -4.106
254 HE3 TRP 37 HE TRP 37 -3.037 0.276 -3.441
255 HZ2 TRP 37 HZ1 TRP 37 1.439 2.215 -2.487
256 HZ3 TRP 37 HZ2 TRP 37 -1.367 -1.028 -2.071
257 HH2 TRP 37 HH TRP 37 0.872 -0.051 -1.616
258 H VAL 38 HN VAL 38 -1.402 1.928 -6.832
259 HA VAL 38 HA VAL 38 -1.432 -1.015 -7.219
260 HB VAL 38 HB VAL 38 -0.449 1.136 -9.154
261 1HG1 VAL 38 3HG1 VAL 38 0.150 -1.845 -9.174
262 2HG1 VAL 38 1HG1 VAL 38 0.397 -0.746 -10.550
263 3HG1 VAL 38 2HG1 VAL 38 1.325 -0.507 -9.070
264 1HG2 VAL 38 3HG2 VAL 38 -2.391 -1.197 -9.471
265 2HG2 VAL 38 1HG2 VAL 38 -2.811 0.529 -9.471
266 3HG2 VAL 38 2HG2 VAL 38 -1.848 -0.137 -10.788
267 H CYS 39 HN CYN 39 0.576 -1.986 -6.748
268 HA CYS 39 HA CYN 39 2.132 -0.588 -4.797
269 1HB CYS 39 2HB CYN 39 1.651 -2.864 -4.555
270 2HB CYS 39 3HB CYN 39 2.390 -3.287 -6.104
271 HA PRO 40 HA PRO 40 4.996 1.211 -7.780
272 1HB PRO 40 2HB PRO 40 6.920 2.196 -6.031
273 2HB PRO 40 3HB PRO 40 5.337 2.934 -6.334
274 1HG PRO 40 2HG PRO 40 6.123 1.047 -4.108
275 2HG PRO 40 3HG PRO 40 5.251 2.602 -3.949
276 1HD PRO 40 2HD PRO 40 3.999 0.203 -3.958
277 2HD PRO 40 3HD PRO 40 3.250 1.614 -4.775
278 H LEU 41 HN LEU 41 6.748 0.488 -8.900
279 HA LEU 41 HA LEU 41 8.329 -0.943 -9.664
280 1HB LEU 41 2HB LEU 41 9.239 -1.152 -6.767
281 2HB LEU 41 3HB LEU 41 10.194 -1.492 -8.208
282 HG LEU 41 HG LEU 41 9.119 1.250 -7.402
283 1HD1 LEU 41 2HD1 LEU 41 10.939 0.408 -5.960
284 2HD1 LEU 41 3HD1 LEU 41 11.945 0.111 -7.394
285 3HD1 LEU 41 1HD1 LEU 41 11.477 1.769 -6.959
286 1HD2 LEU 41 2HD2 LEU 41 10.893 0.394 -9.738
287 2HD2 LEU 41 3HD2 LEU 41 9.271 1.115 -9.852
288 3HD2 LEU 41 1HD2 LEU 41 10.619 2.074 -9.234
289 H CYS 42 HN CYN 42 5.767 -2.023 -8.926
290 HA CYS 42 HA CYN 42 6.443 -4.916 -8.718
291 1HB CYS 42 2HB CYN 42 6.028 -3.924 -6.489
292 2HB CYS 42 3HB CYN 42 4.453 -3.374 -7.063
293 H GLY 43 HN GLY 43 3.667 -2.566 -8.904
294 1HA GLY 43 2HA GLY 43 2.148 -2.299 -10.628
295 2HA GLY 43 3HA GLY 43 3.033 -3.456 -11.613
296 H VAL 44 HN VAL 44 1.986 -4.308 -8.350
297 HA VAL 44 HA VAL 44 -0.139 -6.087 -9.461
298 HB VAL 44 HB VAL 44 1.683 -6.447 -7.055
299 1HG1 VAL 44 1HG1 VAL 44 -0.572 -8.231 -8.063
300 2HG1 VAL 44 2HG1 VAL 44 0.650 -8.696 -6.863
301 3HG1 VAL 44 3HG1 VAL 44 -0.479 -7.401 -6.486
302 1HG2 VAL 44 1HG2 VAL 44 1.453 -7.774 -9.800
303 2HG2 VAL 44 2HG2 VAL 44 2.860 -6.928 -9.120
304 3HG2 VAL 44 3HG2 VAL 44 2.361 -8.489 -8.468
305 H GLY 45 HN GLY 45 -1.970 -6.427 -8.116
306 1HA GLY 45 2HA GLY 45 -3.198 -3.947 -7.403
307 2HA GLY 45 3HA GLY 45 -3.887 -5.573 -7.248
308 H LYS 46 HN LYS 46 -4.135 -3.391 -5.378
309 HA LYS 46 HA LYS 46 -2.343 -3.659 -3.200
310 1HB LYS 46 2HB LYS 46 -3.934 -2.286 -1.993
311 2HB LYS 46 3HB LYS 46 -3.602 -1.700 -3.624
312 1HG LYS 46 2HG LYS 46 -5.723 -2.217 -4.470
313 2HG LYS 46 3HG LYS 46 -6.125 -3.295 -3.128
314 1HD LYS 46 2HD LYS 46 -5.918 -0.298 -2.940
315 2HD LYS 46 3HD LYS 46 -7.378 -1.307 -3.001
316 1HE LYS 46 2HE LYS 46 -6.161 -2.558 -0.960
317 2HE LYS 46 3HE LYS 46 -5.435 -0.985 -0.738
318 1HZ LYS 46 2HNZ LYS 46 -7.868 -0.161 -0.869
319 2HZ LYS 46 3HNZ LYS 46 -8.272 -1.754 -0.663
320 3HZ LYS 46 1HNZ LYS 46 -7.381 -0.946 0.490
321 H ASP 47 HN ASP 47 -5.486 -5.205 -3.821
322 HA ASP 47 HA ASP 47 -5.716 -6.287 -1.150
323 1HB ASP 47 2HB ASP 47 -7.390 -6.297 -3.642
324 2HB ASP 47 3HB ASP 47 -7.647 -7.567 -2.445
325 H GLN 48 HN GLN 48 -3.769 -7.172 -1.062
326 HA GLN 48 HA GLN 48 -3.354 -9.976 -1.419
327 1HB GLN 48 2HB GLN 48 -2.610 -8.204 -3.663
328 2HB GLN 48 3HB GLN 48 -1.200 -9.038 -3.019
329 1HG GLN 48 2HG GLN 48 -2.154 -11.196 -3.330
330 2HG GLN 48 3HG GLN 48 -3.763 -10.543 -3.662
331 1HE2 GLN 48 2HNE GLN 48 -2.258 -11.546 -6.909
332 2HE2 GLN 48 1HNE GLN 48 -2.609 -12.385 -5.405
333 H PHE 49 HN PHE 49 -2.148 -6.697 -0.800
334 HA PHE 49 HA PHE 49 0.148 -7.335 0.694
335 1HB PHE 49 2HB PHE 49 -1.895 -5.116 0.707
336 2HB PHE 49 3HB PHE 49 -0.740 -5.069 1.922
337 HD1 PHE 49 HD2 PHE 49 -0.688 -5.482 -1.834
338 HD2 PHE 49 HD1 PHE 49 1.260 -3.997 1.731
339 HE1 PHE 49 HE2 PHE 49 1.179 -4.625 -3.190
340 HE2 PHE 49 HE1 PHE 49 3.049 -3.038 0.341
341 HZ PHE 49 HZ PHE 49 3.043 -3.381 -2.091
342 H GLU 50 HN GLU 50 0.479 -7.738 2.867
343 HA GLU 50 HA GLU 50 -1.848 -8.879 4.410
344 1HB GLU 50 2HB GLU 50 1.073 -9.714 4.157
345 2HB GLU 50 3HB GLU 50 0.110 -10.131 5.558
346 1HG GLU 50 2HG GLU 50 -1.624 -11.118 3.915
347 2HG GLU 50 3HG GLU 50 -0.401 -10.917 2.649
348 H GLU 51 HN GLU 51 -1.895 -8.406 6.715
349 HA GLU 51 HA GLU 51 -1.024 -5.752 7.297
350 1HB GLU 51 2HB GLU 51 -3.125 -6.625 8.093
351 2HB GLU 51 3HB GLU 51 -2.338 -8.001 8.879
352 1HG GLU 51 2HG GLU 51 -1.344 -6.744 10.470
353 2HG GLU 51 3HG GLU 51 -1.595 -5.176 9.681
354 H VAL 52 HN VAL 52 0.695 -5.023 8.534
355 HA VAL 52 HA VAL 52 2.738 -7.001 9.303
356 HB VAL 52 HB VAL 52 2.732 -4.126 8.381
357 1HG1 VAL 52 2HG1 VAL 52 4.857 -5.355 10.206
358 2HG1 VAL 52 3HG1 VAL 52 5.070 -3.880 9.232
359 3HG1 VAL 52 1HG1 VAL 52 3.878 -3.908 10.537
360 1HG2 VAL 52 3HG2 VAL 52 3.236 -6.136 6.963
361 2HG2 VAL 52 1HG2 VAL 52 4.499 -4.882 7.009
362 3HG2 VAL 52 2HG2 VAL 52 4.694 -6.390 7.933
363 H GLU 53 HN GLU 53 2.349 -7.743 11.233
364 HA GLU 53 HA GLU 53 1.019 -6.393 13.317
365 1HB GLU 53 2HB GLU 53 1.660 -8.374 14.592
366 2HB GLU 53 3HB GLU 53 0.994 -8.794 13.014
367 1HG GLU 53 2HG GLU 53 3.470 -9.010 12.230
368 2HG GLU 53 3HG GLU 53 3.861 -8.904 13.938
369 H GLU 54 HN GLU 54 2.156 -4.450 13.268
370 HA GLU 54 HA GLU 54 4.786 -3.985 14.279
371 1HB GLU 54 2HB GLU 54 2.360 -2.260 14.915
372 2HB GLU 54 3HB GLU 54 4.064 -1.795 14.866
373 1HG GLU 54 2HG GLU 54 4.005 -2.496 12.370
374 2HG GLU 54 3HG GLU 54 2.234 -2.479 12.528
No H/Q in entry = 374
Start of MODEL 17
1 1H MET 1 1HN MET 1 -5.279 -1.169 9.938
2 2H MET 1 2HN MET 1 -6.200 0.227 9.691
3 3H MET 1 3HN MET 1 -5.036 -0.182 8.677
4 HA MET 1 HA MET 1 -4.538 0.609 11.462
5 1HB MET 1 2HB MET 1 -2.916 2.257 10.235
6 2HB MET 1 3HB MET 1 -3.785 1.808 8.782
7 1HG MET 1 2HG MET 1 -5.860 2.550 9.908
8 2HG MET 1 3HG MET 1 -4.943 3.073 11.311
9 1HE MET 1 2HE MET 1 -3.482 5.195 11.477
10 2HE MET 1 3HE MET 1 -2.383 4.554 10.233
11 3HE MET 1 1HE MET 1 -3.021 6.203 10.093
12 H LYS 2 HN LYS 2 -2.060 0.919 11.514
13 HA LYS 2 HA LYS 2 0.061 0.096 11.555
14 1HB LYS 2 2HB LYS 2 -1.086 -2.619 10.995
15 2HB LYS 2 3HB LYS 2 0.386 -2.213 11.897
16 1HG LYS 2 2HG LYS 2 -1.075 -1.179 13.677
17 2HG LYS 2 3HG LYS 2 -2.496 -1.800 12.767
18 1HD LYS 2 2HD LYS 2 -1.061 -4.015 12.701
19 2HD LYS 2 3HD LYS 2 -0.275 -3.336 14.122
20 1HE LYS 2 2HE LYS 2 -3.305 -3.747 13.730
21 2HE LYS 2 3HE LYS 2 -2.264 -4.963 14.461
22 1HZ LYS 2 3HNZ LYS 2 -2.635 -2.235 15.510
23 2HZ LYS 2 1HNZ LYS 2 -3.335 -3.599 16.124
24 3HZ LYS 2 2HNZ LYS 2 -1.696 -3.406 16.184
25 H LYS 3 HN LYS 3 1.634 -1.465 10.342
26 HA LYS 3 HA LYS 3 1.639 -0.504 7.591
27 1HB LYS 3 2HB LYS 3 3.519 -2.251 9.180
28 2HB LYS 3 3HB LYS 3 3.855 -1.557 7.583
29 1HG LYS 3 2HG LYS 3 3.488 0.715 8.468
30 2HG LYS 3 3HG LYS 3 3.152 0.090 10.063
31 1HD LYS 3 2HD LYS 3 5.436 -1.187 9.877
32 2HD LYS 3 3HD LYS 3 5.842 0.047 8.678
33 1HE LYS 3 2HE LYS 3 5.536 1.814 10.362
34 2HE LYS 3 3HE LYS 3 4.787 0.671 11.496
35 1HZ LYS 3 2HNZ LYS 3 6.901 -0.528 11.582
36 2HZ LYS 3 3HNZ LYS 3 7.610 0.608 10.690
37 3HZ LYS 3 1HNZ LYS 3 6.993 0.998 12.171
38 H TYR 4 HN TYR 4 2.270 -2.089 5.874
39 HA TYR 4 HA TYR 4 0.991 -4.743 6.209
40 1HB TYR 4 2HB TYR 4 0.175 -2.867 3.953
41 2HB TYR 4 3HB TYR 4 -0.175 -4.561 4.024
42 HD1 TYR 4 HD1 TYR 4 -0.800 -1.370 5.912
43 HD2 TYR 4 HD2 TYR 4 -2.088 -5.320 4.973
44 HE1 TYR 4 HE1 TYR 4 -2.888 -0.968 7.183
45 HE2 TYR 4 HE2 TYR 4 -4.012 -5.071 6.602
46 HH TYR 4 HOH TYR 4 -5.143 -1.676 7.128
47 H THR 5 HN THR 5 1.857 -6.364 4.985
48 HA THR 5 HA THR 5 4.346 -5.809 3.517
49 HB THR 5 HB THR 5 2.840 -8.398 4.058
50 HG1 THR 5 HG1 THR 5 5.150 -7.232 5.228
51 1HG2 THR 5 1HG2 THR 5 5.609 -7.930 2.864
52 2HG2 THR 5 2HG2 THR 5 5.035 -9.477 3.526
53 3HG2 THR 5 3HG2 THR 5 4.228 -8.778 2.124
54 H CYS 6 HN CYN 6 4.642 -6.040 1.353
55 HA CYS 6 HA CYN 6 2.363 -5.681 -0.438
56 1HB CYS 6 2HB CYN 6 4.537 -4.445 -0.551
57 2HB CYS 6 3HB CYN 6 5.323 -5.980 -0.985
58 H THR 7 HN THR 7 1.572 -7.311 -1.796
59 HA THR 7 HA THR 7 1.443 -9.796 -0.933
60 HB THR 7 HB THR 7 1.278 -9.004 -3.871
61 HG1 THR 7 HG1 THR 7 -0.844 -8.354 -3.190
62 1HG2 THR 7 2HG2 THR 7 0.887 -11.430 -3.371
63 2HG2 THR 7 3HG2 THR 7 -0.359 -10.961 -2.190
64 3HG2 THR 7 1HG2 THR 7 -0.579 -10.610 -3.914
65 H VAL 8 HN VAL 8 3.651 -8.956 -3.704
66 HA VAL 8 HA VAL 8 5.394 -11.195 -2.970
67 HB VAL 8 HB VAL 8 3.507 -12.276 -4.120
68 1HG1 VAL 8 2HG1 VAL 8 2.814 -10.482 -5.653
69 2HG1 VAL 8 3HG1 VAL 8 4.298 -10.706 -6.602
70 3HG1 VAL 8 1HG1 VAL 8 3.100 -12.010 -6.500
71 1HG2 VAL 8 2HG2 VAL 8 5.812 -13.225 -4.227
72 2HG2 VAL 8 3HG2 VAL 8 4.711 -13.723 -5.522
73 3HG2 VAL 8 1HG2 VAL 8 5.972 -12.536 -5.857
74 H CYS 9 HN CYN 9 5.697 -8.381 -3.070
75 HA CYS 9 HA CYN 9 7.765 -8.127 -5.226
76 1HB CYS 9 2HB CYN 9 6.419 -5.786 -3.953
77 2HB CYS 9 3HB CYN 9 7.221 -5.939 -5.520
78 H GLY 10 HN GLY 10 6.915 -6.556 -2.127
79 1HA GLY 10 2HA GLY 10 8.246 -7.052 -0.116
80 2HA GLY 10 3HA GLY 10 9.707 -7.026 -1.106
81 H TYR 11 HN TYR 11 6.856 -4.839 -0.672
82 HA TYR 11 HA TYR 11 8.670 -2.597 0.060
83 1HB TYR 11 2HB TYR 11 8.112 -2.641 -2.404
84 2HB TYR 11 3HB TYR 11 6.420 -2.452 -1.988
85 HD1 TYR 11 HD2 TYR 11 9.721 -0.844 -2.188
86 HD2 TYR 11 HD1 TYR 11 5.595 -0.271 -1.069
87 HE1 TYR 11 HE2 TYR 11 10.076 1.610 -2.111
88 HE2 TYR 11 HE1 TYR 11 5.955 2.170 -0.976
89 HH TYR 11 HOH TYR 11 7.444 3.886 -1.285
90 H ILE 12 HN ILE 12 7.957 -2.865 2.263
91 HA ILE 12 HA ILE 12 5.272 -3.260 2.974
92 HB ILE 12 HB ILE 12 7.694 -2.270 4.462
93 1HG1 ILE 12 2HG1 ILE 12 5.750 -4.585 4.898
94 2HG1 ILE 12 3HG1 ILE 12 7.176 -4.694 3.861
95 1HG2 ILE 12 1HG2 ILE 12 4.874 -2.311 5.622
96 2HG2 ILE 12 2HG2 ILE 12 6.355 -2.189 6.587
97 3HG2 ILE 12 3HG2 ILE 12 5.933 -0.888 5.501
98 1HD1 ILE 12 1HD1 ILE 12 8.633 -4.211 5.813
99 2HD1 ILE 12 2HD1 ILE 12 7.199 -4.221 6.870
100 3HD1 ILE 12 3HD1 ILE 12 7.663 -5.687 6.000
101 H TYR 13 HN TYR 13 3.532 -2.049 3.114
102 HA TYR 13 HA TYR 13 3.601 0.816 2.376
103 1HB TYR 13 2HB TYR 13 1.877 -0.613 1.419
104 2HB TYR 13 3HB TYR 13 1.381 -1.146 3.028
105 HD1 TYR 13 HD1 TYR 13 0.169 0.394 4.567
106 HD2 TYR 13 HD2 TYR 13 0.754 1.257 0.437
107 HE1 TYR 13 HE1 TYR 13 -1.423 2.279 4.702
108 HE2 TYR 13 HE2 TYR 13 -0.314 3.513 0.743
109 HH TYR 13 HOH TYR 13 -2.258 4.250 3.684
110 H ASN 14 HN ASN 14 3.331 2.448 3.886
111 HA ASN 14 HA ASN 14 2.764 1.710 6.719
112 1HB ASN 14 2HB ASN 14 5.171 2.351 6.348
113 2HB ASN 14 3HB ASN 14 4.618 3.915 5.760
114 1HD2 ASN 14 2HND ASN 14 5.401 4.464 9.292
115 2HD2 ASN 14 1HND ASN 14 6.001 4.621 7.643
116 HA PRO 15 HA PRO 15 -0.575 4.338 5.456
117 1HB PRO 15 2HB PRO 15 -2.064 4.280 7.857
118 2HB PRO 15 3HB PRO 15 -2.172 3.075 6.573
119 1HG PRO 15 2HG PRO 15 -0.780 2.860 9.175
120 2HG PRO 15 3HG PRO 15 -1.477 1.628 8.079
121 1HD PRO 15 2HD PRO 15 1.260 2.276 8.420
122 2HD PRO 15 3HD PRO 15 0.659 1.264 7.136
123 H GLU 16 HN GLU 16 1.175 4.824 8.515
124 HA GLU 16 HA GLU 16 0.233 7.449 9.004
125 1HB GLU 16 2HB GLU 16 2.881 6.119 9.686
126 2HB GLU 16 3HB GLU 16 2.253 7.620 10.350
127 1HG GLU 16 2HG GLU 16 0.113 6.160 10.947
128 2HG GLU 16 3HG GLU 16 1.205 4.782 10.723
129 H ASP 17 HN ASP 17 2.576 6.165 6.760
130 HA ASP 17 HA ASP 17 3.650 8.855 6.025
131 1HB ASP 17 2HB ASP 17 4.263 6.028 5.126
132 2HB ASP 17 3HB ASP 17 4.994 7.464 4.406
133 H GLY 18 HN GLY 18 1.455 6.282 4.927
134 1HA GLY 18 2HA GLY 18 0.084 6.097 3.197
135 2HA GLY 18 3HA GLY 18 0.202 7.840 2.877
136 H ASP 19 HN ASP 19 0.325 7.434 0.635
137 HA ASP 19 HA ASP 19 3.040 7.066 -0.373
138 1HB ASP 19 2HB ASP 19 0.926 5.038 -0.814
139 2HB ASP 19 3HB ASP 19 1.537 5.671 -2.327
140 HA PRO 20 HA PRO 20 0.043 10.459 -1.571
141 1HB PRO 20 2HB PRO 20 1.708 12.641 -1.179
142 2HB PRO 20 3HB PRO 20 0.643 11.910 0.061
143 1HG PRO 20 2HG PRO 20 3.595 11.423 -0.388
144 2HG PRO 20 3HG PRO 20 2.750 11.698 1.164
145 1HD PRO 20 2HD PRO 20 3.406 9.207 0.349
146 2HD PRO 20 3HD PRO 20 1.835 9.509 1.142
147 H ASP 21 HN ASP 21 3.498 10.055 -2.516
148 HA ASP 21 HA ASP 21 3.526 11.565 -4.828
149 1HB ASP 21 2HB ASP 21 4.895 8.908 -4.174
150 2HB ASP 21 3HB ASP 21 5.425 10.089 -5.377
151 H ASN 22 HN ASN 22 2.101 8.452 -4.133
152 HA ASN 22 HA ASN 22 1.540 7.808 -6.969
153 1HB ASN 22 2HB ASN 22 0.880 6.216 -4.460
154 2HB ASN 22 3HB ASN 22 0.872 5.641 -6.117
155 1HD2 ASN 22 2HND ASN 22 4.353 5.793 -3.963
156 2HD2 ASN 22 1HND ASN 22 2.981 6.726 -3.460
157 H GLY 23 HN GLY 23 0.083 8.958 -4.066
158 1HA GLY 23 2HA GLY 23 -1.762 10.518 -4.705
159 2HA GLY 23 3HA GLY 23 -2.608 9.117 -5.380
160 H VAL 24 HN VAL 24 -0.974 8.025 -2.657
161 HA VAL 24 HA VAL 24 -3.550 7.930 -1.180
162 HB VAL 24 HB VAL 24 -0.962 6.378 -1.005
163 1HG1 VAL 24 2HG1 VAL 24 -3.532 6.090 0.580
164 2HG1 VAL 24 3HG1 VAL 24 -2.263 4.853 0.493
165 3HG1 VAL 24 1HG1 VAL 24 -1.905 6.426 1.226
166 1HG2 VAL 24 2HG2 VAL 24 -2.377 5.883 -2.999
167 2HG2 VAL 24 3HG2 VAL 24 -2.322 4.517 -1.870
168 3HG2 VAL 24 1HG2 VAL 24 -3.756 5.567 -1.929
169 H ASN 25 HN ASN 25 -3.830 9.526 0.275
170 HA ASN 25 HA ASN 25 -1.689 11.208 1.163
171 1HB ASN 25 2HB ASN 25 -4.611 10.846 1.921
172 2HB ASN 25 3HB ASN 25 -3.569 11.857 2.912
173 1HD2 ASN 25 2HND ASN 25 -4.196 13.118 -0.973
174 2HD2 ASN 25 1HND ASN 25 -4.113 11.399 -0.679
175 HA PRO 26 HA PRO 26 -0.300 8.966 4.794
176 1HB PRO 26 2HB PRO 26 0.039 11.033 6.634
177 2HB PRO 26 3HB PRO 26 1.223 10.501 5.422
178 1HG PRO 26 2HG PRO 26 -0.647 12.845 5.302
179 2HG PRO 26 3HG PRO 26 1.031 12.683 4.679
180 1HD PRO 26 2HD PRO 26 -1.224 12.538 3.086
181 2HD PRO 26 3HD PRO 26 0.301 11.685 2.705
182 H GLY 27 HN GLY 27 -1.133 8.180 6.641
183 1HA GLY 27 2HA GLY 27 -2.666 7.633 8.236
184 2HA GLY 27 3HA GLY 27 -3.541 9.150 7.954
185 H THR 28 HN THR 28 -2.956 7.017 5.078
186 HA THR 28 HA THR 28 -5.875 6.517 5.103
187 HB THR 28 HB THR 28 -3.699 6.111 2.994
188 HG1 THR 28 HG1 THR 28 -4.064 8.282 3.198
189 1HG2 THR 28 1HG2 THR 28 -6.727 5.959 2.887
190 2HG2 THR 28 2HG2 THR 28 -5.666 5.903 1.463
191 3HG2 THR 28 3HG2 THR 28 -5.575 4.612 2.680
192 H ASP 29 HN ASP 29 -6.549 4.633 5.879
193 HA ASP 29 HA ASP 29 -4.725 2.514 6.597
194 1HB ASP 29 2HB ASP 29 -7.077 3.045 7.508
195 2HB ASP 29 3HB ASP 29 -7.692 2.226 6.103
196 H PHE 30 HN PHE 30 -4.385 0.664 5.474
197 HA PHE 30 HA PHE 30 -4.273 0.602 2.662
198 1HB PHE 30 2HB PHE 30 -3.225 -0.830 4.540
199 2HB PHE 30 3HB PHE 30 -4.606 -1.916 4.317
200 HD1 PHE 30 HD1 PHE 30 -5.001 -2.624 1.762
201 HD2 PHE 30 HD2 PHE 30 -1.309 -1.081 3.352
202 HE1 PHE 30 HE1 PHE 30 -3.764 -3.457 -0.230
203 HE2 PHE 30 HE2 PHE 30 -0.078 -2.067 1.433
204 HZ PHE 30 HZ PHE 30 -1.322 -3.314 -0.267
205 H LYS 31 HN LYS 31 -6.980 -0.199 4.821
206 HA LYS 31 HA LYS 31 -8.432 -1.638 2.751
207 1HB LYS 31 2HB LYS 31 -10.291 -1.682 4.181
208 2HB LYS 31 3HB LYS 31 -8.829 -2.051 5.119
209 1HG LYS 31 2HG LYS 31 -8.753 0.363 5.798
210 2HG LYS 31 3HG LYS 31 -10.297 0.614 4.968
211 1HD LYS 31 2HD LYS 31 -11.317 -1.133 6.359
212 2HD LYS 31 3HD LYS 31 -9.805 -1.311 7.268
213 1HE LYS 31 2HE LYS 31 -10.845 1.513 7.010
214 2HE LYS 31 3HE LYS 31 -11.896 0.439 7.931
215 1HZ LYS 31 1HNZ LYS 31 -9.025 0.859 8.506
216 2HZ LYS 31 2HNZ LYS 31 -10.264 1.624 9.263
217 3HZ LYS 31 3HNZ LYS 31 -10.087 -0.010 9.403
218 H ASP 32 HN ASP 32 -8.112 1.721 3.754
219 HA ASP 32 HA ASP 32 -10.447 2.670 2.310
220 1HB ASP 32 2HB ASP 32 -8.147 4.208 3.579
221 2HB ASP 32 3HB ASP 32 -9.708 4.860 3.076
222 H ILE 33 HN ILE 33 -7.036 2.004 1.554
223 HA ILE 33 HA ILE 33 -6.475 3.916 -0.313
224 HB ILE 33 HB ILE 33 -5.800 1.022 -0.165
225 1HG1 ILE 33 2HG1 ILE 33 -4.502 3.572 0.768
226 2HG1 ILE 33 3HG1 ILE 33 -5.058 2.285 1.758
227 1HG2 ILE 33 2HG2 ILE 33 -5.366 1.916 -2.441
228 2HG2 ILE 33 3HG2 ILE 33 -4.274 3.099 -1.669
229 3HG2 ILE 33 1HG2 ILE 33 -3.949 1.346 -1.572
230 1HD1 ILE 33 2HD1 ILE 33 -3.306 0.775 0.553
231 2HD1 ILE 33 3HD1 ILE 33 -2.592 2.323 0.019
232 3HD1 ILE 33 1HD1 ILE 33 -2.761 1.952 1.746
233 HA PRO 34 HA PRO 34 -9.561 2.848 -3.484
234 1HB PRO 34 2HB PRO 34 -7.793 3.882 -5.569
235 2HB PRO 34 3HB PRO 34 -9.320 4.573 -4.977
236 1HG PRO 34 2HG PRO 34 -6.708 5.604 -4.568
237 2HG PRO 34 3HG PRO 34 -8.159 6.052 -3.627
238 1HD PRO 34 2HD PRO 34 -5.929 4.199 -2.849
239 2HD PRO 34 3HD PRO 34 -7.018 5.162 -1.841
240 H ASP 35 HN ASP 35 -9.765 0.888 -4.692
241 HA ASP 35 HA ASP 35 -7.439 -0.793 -4.764
242 1HB ASP 35 2HB ASP 35 -10.393 -1.043 -5.089
243 2HB ASP 35 3HB ASP 35 -9.420 -2.125 -6.049
244 H ASP 36 HN ASP 36 -8.333 1.638 -6.879
245 HA ASP 36 HA ASP 36 -7.097 0.450 -9.223
246 1HB ASP 36 2HB ASP 36 -7.230 2.746 -10.077
247 2HB ASP 36 3HB ASP 36 -8.797 2.188 -9.480
248 H TRP 37 HN TRP 37 -5.901 1.609 -6.198
249 HA TRP 37 HA TRP 37 -3.532 2.887 -7.148
250 1HB TRP 37 2HB TRP 37 -4.369 3.249 -4.901
251 2HB TRP 37 3HB TRP 37 -4.217 1.536 -4.544
252 HD1 TRP 37 HD TRP 37 -1.948 4.616 -4.968
253 HE1 TRP 37 HNE TRP 37 0.240 4.145 -3.709
254 HE3 TRP 37 HE TRP 37 -2.662 -0.306 -4.030
255 HZ2 TRP 37 HZ1 TRP 37 1.500 1.886 -2.380
256 HZ3 TRP 37 HZ2 TRP 37 -0.952 -1.638 -2.753
257 HH2 TRP 37 HH TRP 37 1.103 -0.529 -1.906
258 H VAL 38 HN VAL 38 -1.456 2.157 -7.165
259 HA VAL 38 HA VAL 38 -0.942 -0.759 -7.657
260 HB VAL 38 HB VAL 38 0.015 1.656 -9.244
261 1HG1 VAL 38 1HG1 VAL 38 1.703 -0.218 -9.204
262 2HG1 VAL 38 2HG1 VAL 38 0.445 -1.287 -9.871
263 3HG1 VAL 38 3HG1 VAL 38 1.020 0.100 -10.802
264 1HG2 VAL 38 2HG2 VAL 38 -1.991 -0.550 -9.899
265 2HG2 VAL 38 3HG2 VAL 38 -2.321 1.190 -9.770
266 3HG2 VAL 38 1HG2 VAL 38 -1.329 0.583 -11.096
267 H CYS 39 HN CYN 39 1.249 -1.516 -6.931
268 HA CYS 39 HA CYN 39 2.402 0.353 -4.983
269 1HB CYS 39 2HB CYN 39 3.891 -1.535 -4.393
270 2HB CYS 39 3HB CYN 39 2.177 -1.653 -4.015
271 HA PRO 40 HA PRO 40 5.272 1.691 -8.069
272 1HB PRO 40 2HB PRO 40 6.902 3.343 -6.628
273 2HB PRO 40 3HB PRO 40 5.184 3.699 -6.932
274 1HG PRO 40 2HG PRO 40 6.402 2.392 -4.474
275 2HG PRO 40 3HG PRO 40 5.286 3.786 -4.519
276 1HD PRO 40 2HD PRO 40 4.404 1.240 -4.094
277 2HD PRO 40 3HD PRO 40 3.449 2.409 -5.062
278 H LEU 41 HN LEU 41 7.165 0.977 -8.959
279 HA LEU 41 HA LEU 41 8.968 -0.273 -9.328
280 1HB LEU 41 2HB LEU 41 9.925 1.439 -7.779
281 2HB LEU 41 3HB LEU 41 9.735 0.307 -6.438
282 HG LEU 41 HG LEU 41 11.409 -1.199 -7.409
283 1HD1 LEU 41 3HD1 LEU 41 11.506 0.783 -9.725
284 2HD1 LEU 41 1HD1 LEU 41 12.711 -0.485 -9.420
285 3HD1 LEU 41 2HD1 LEU 41 11.052 -0.938 -9.810
286 1HD2 LEU 41 2HD2 LEU 41 12.128 0.672 -5.984
287 2HD2 LEU 41 3HD2 LEU 41 13.352 0.244 -7.191
288 3HD2 LEU 41 1HD2 LEU 41 12.345 1.689 -7.425
289 H CYS 42 HN CYN 42 6.543 -1.538 -8.458
290 HA CYS 42 HA CYN 42 7.577 -4.174 -7.480
291 1HB CYS 42 2HB CYN 42 5.075 -2.596 -6.954
292 2HB CYS 42 3HB CYN 42 5.150 -4.350 -6.755
293 H GLY 43 HN GLY 43 4.291 -3.674 -8.560
294 1HA GLY 43 2HA GLY 43 3.996 -4.370 -11.156
295 2HA GLY 43 3HA GLY 43 4.694 -5.846 -10.454
296 H VAL 44 HN VAL 44 1.813 -4.214 -10.966
297 HA VAL 44 HA VAL 44 -0.303 -4.607 -10.452
298 HB VAL 44 HB VAL 44 0.673 -7.092 -9.891
299 1HG1 VAL 44 2HG1 VAL 44 0.718 -6.497 -7.337
300 2HG1 VAL 44 3HG1 VAL 44 -1.045 -6.632 -7.442
301 3HG1 VAL 44 1HG1 VAL 44 -0.036 -7.999 -7.884
302 1HG2 VAL 44 2HG2 VAL 44 -1.342 -6.608 -11.119
303 2HG2 VAL 44 3HG2 VAL 44 -1.659 -7.819 -9.868
304 3HG2 VAL 44 1HG2 VAL 44 -2.192 -6.144 -9.630
305 H GLY 45 HN GLY 45 -1.648 -4.826 -8.022
306 1HA GLY 45 2HA GLY 45 -0.509 -2.610 -6.361
307 2HA GLY 45 3HA GLY 45 -2.162 -2.564 -7.014
308 H LYS 46 HN LYS 46 -3.572 -3.108 -5.519
309 HA LYS 46 HA LYS 46 -2.778 -4.679 -3.156
310 1HB LYS 46 2HB LYS 46 -5.545 -3.721 -3.821
311 2HB LYS 46 3HB LYS 46 -4.802 -4.008 -2.226
312 1HG LYS 46 2HG LYS 46 -3.520 -1.906 -2.481
313 2HG LYS 46 3HG LYS 46 -4.190 -1.745 -4.135
314 1HD LYS 46 2HD LYS 46 -5.567 -0.339 -2.907
315 2HD LYS 46 3HD LYS 46 -6.467 -1.822 -3.218
316 1HE LYS 46 2HE LYS 46 -5.831 -2.611 -0.878
317 2HE LYS 46 3HE LYS 46 -5.226 -0.996 -0.599
318 1HZ LYS 46 2HNZ LYS 46 -7.487 -0.150 -1.150
319 2HZ LYS 46 3HNZ LYS 46 -8.015 -1.640 -1.434
320 3HZ LYS 46 1HNZ LYS 46 -7.523 -1.181 0.117
321 H ASP 47 HN ASP 47 -4.275 -6.457 -2.467
322 HA ASP 47 HA ASP 47 -6.086 -7.686 -4.342
323 1HB ASP 47 2HB ASP 47 -4.850 -9.946 -4.238
324 2HB ASP 47 3HB ASP 47 -4.269 -8.725 -5.371
325 H GLN 48 HN GLN 48 -4.123 -9.072 -1.760
326 HA GLN 48 HA GLN 48 -6.481 -9.273 0.042
327 1HB GLN 48 2HB GLN 48 -5.089 -11.344 -1.197
328 2HB GLN 48 3HB GLN 48 -4.207 -11.184 0.320
329 1HG GLN 48 2HG GLN 48 -5.874 -12.757 0.784
330 2HG GLN 48 3HG GLN 48 -6.535 -11.274 1.479
331 1HE2 GLN 48 2HNE GLN 48 -9.338 -11.289 -0.754
332 2HE2 GLN 48 1HNE GLN 48 -8.523 -10.457 0.558
333 H PHE 49 HN PHE 49 -2.979 -8.798 -0.255
334 HA PHE 49 HA PHE 49 -1.352 -8.051 1.048
335 1HB PHE 49 2HB PHE 49 -1.771 -5.991 2.444
336 2HB PHE 49 3HB PHE 49 -2.257 -5.909 0.776
337 HD1 PHE 49 HD2 PHE 49 -3.688 -6.580 4.198
338 HD2 PHE 49 HD1 PHE 49 -4.588 -5.657 0.122
339 HE1 PHE 49 HE2 PHE 49 -5.880 -5.697 4.907
340 HE2 PHE 49 HE1 PHE 49 -6.852 -4.904 0.798
341 HZ PHE 49 HZ PHE 49 -7.471 -4.836 3.207
342 H GLU 50 HN GLU 50 -0.542 -7.602 3.431
343 HA GLU 50 HA GLU 50 -1.956 -9.290 5.418
344 1HB GLU 50 2HB GLU 50 1.019 -9.484 4.739
345 2HB GLU 50 3HB GLU 50 0.235 -10.212 6.133
346 1HG GLU 50 2HG GLU 50 -1.244 -11.505 4.510
347 2HG GLU 50 3HG GLU 50 -0.223 -10.895 3.196
348 H GLU 51 HN GLU 51 -1.808 -8.322 7.491
349 HA GLU 51 HA GLU 51 -0.827 -5.589 7.595
350 1HB GLU 51 2HB GLU 51 -2.970 -6.161 8.638
351 2HB GLU 51 3HB GLU 51 -2.208 -7.480 9.562
352 1HG GLU 51 2HG GLU 51 -0.914 -6.013 10.784
353 2HG GLU 51 3HG GLU 51 -1.407 -4.571 9.901
354 H VAL 52 HN VAL 52 1.003 -4.950 8.678
355 HA VAL 52 HA VAL 52 2.984 -6.989 9.547
356 HB VAL 52 HB VAL 52 3.067 -4.184 8.390
357 1HG1 VAL 52 3HG1 VAL 52 5.264 -5.568 9.973
358 2HG1 VAL 52 1HG1 VAL 52 5.507 -4.157 8.910
359 3HG1 VAL 52 2HG1 VAL 52 4.478 -4.009 10.339
360 1HG2 VAL 52 3HG2 VAL 52 3.158 -6.198 6.954
361 2HG2 VAL 52 1HG2 VAL 52 4.564 -5.112 6.842
362 3HG2 VAL 52 2HG2 VAL 52 4.685 -6.646 7.745
363 H GLU 53 HN GLU 53 2.689 -7.346 11.665
364 HA GLU 53 HA GLU 53 1.436 -5.563 13.436
365 1HB GLU 53 2HB GLU 53 2.038 -7.251 15.080
366 2HB GLU 53 3HB GLU 53 1.180 -7.887 13.674
367 1HG GLU 53 2HG GLU 53 3.389 -8.785 12.799
368 2HG GLU 53 3HG GLU 53 4.158 -8.194 14.276
369 H GLU 54 HN GLU 54 3.220 -3.996 12.546
370 HA GLU 54 HA GLU 54 4.839 -3.260 14.927
371 1HB GLU 54 2HB GLU 54 5.104 -2.075 12.135
372 2HB GLU 54 3HB GLU 54 6.068 -1.726 13.583
373 1HG GLU 54 2HG GLU 54 6.670 -4.276 13.469
374 2HG GLU 54 3HG GLU 54 6.140 -4.189 11.809
No H/Q in entry = 374
Start of MODEL 18
1 1H MET 1 1HN MET 1 -5.981 -0.868 9.421
2 2H MET 1 2HN MET 1 -6.840 0.572 9.200
3 3H MET 1 3HN MET 1 -5.752 0.109 8.133
4 HA MET 1 HA MET 1 -5.216 0.949 10.915
5 1HB MET 1 2HB MET 1 -3.416 2.383 9.605
6 2HB MET 1 3HB MET 1 -4.365 1.967 8.199
7 1HG MET 1 2HG MET 1 -6.329 3.008 9.485
8 2HG MET 1 3HG MET 1 -5.176 3.431 10.748
9 1HE MET 1 1HE MET 1 -5.553 5.935 10.859
10 2HE MET 1 2HE MET 1 -5.712 6.990 9.441
11 3HE MET 1 3HE MET 1 -6.927 5.723 9.740
12 H LYS 2 HN LYS 2 -2.610 1.153 10.919
13 HA LYS 2 HA LYS 2 -0.677 0.163 11.227
14 1HB LYS 2 2HB LYS 2 -1.948 -2.543 10.775
15 2HB LYS 2 3HB LYS 2 -0.466 -2.135 11.659
16 1HG LYS 2 2HG LYS 2 -2.100 -0.604 13.090
17 2HG LYS 2 3HG LYS 2 -3.350 -1.700 12.427
18 1HD LYS 2 2HD LYS 2 -1.727 -3.602 13.153
19 2HD LYS 2 3HD LYS 2 -0.880 -2.334 14.073
20 1HE LYS 2 2HE LYS 2 -3.193 -1.802 15.115
21 2HE LYS 2 3HE LYS 2 -3.769 -3.291 14.330
22 1HZ LYS 2 1HNZ LYS 2 -1.543 -3.137 16.266
23 2HZ LYS 2 2HNZ LYS 2 -3.069 -3.665 16.617
24 3HZ LYS 2 3HNZ LYS 2 -2.123 -4.509 15.559
25 H LYS 3 HN LYS 3 1.067 -1.199 10.220
26 HA LYS 3 HA LYS 3 1.205 -0.574 7.396
27 1HB LYS 3 2HB LYS 3 3.073 -2.021 9.307
28 2HB LYS 3 3HB LYS 3 3.457 -1.596 7.628
29 1HG LYS 3 2HG LYS 3 3.048 0.786 8.140
30 2HG LYS 3 3HG LYS 3 2.576 0.406 9.749
31 1HD LYS 3 2HD LYS 3 4.745 1.230 9.904
32 2HD LYS 3 3HD LYS 3 4.810 -0.502 10.272
33 1HE LYS 3 2HE LYS 3 5.757 -0.987 8.078
34 2HE LYS 3 3HE LYS 3 5.475 0.674 7.534
35 1HZ LYS 3 2HNZ LYS 3 7.015 1.430 9.195
36 2HZ LYS 3 3HNZ LYS 3 7.320 -0.116 9.676
37 3HZ LYS 3 1HNZ LYS 3 7.744 0.378 8.158
38 H TYR 4 HN TYR 4 1.851 -2.165 5.855
39 HA TYR 4 HA TYR 4 0.758 -4.872 6.240
40 1HB TYR 4 2HB TYR 4 -0.370 -2.806 4.345
41 2HB TYR 4 3HB TYR 4 -0.332 -4.470 3.813
42 HD1 TYR 4 HD1 TYR 4 -1.627 -2.355 6.641
43 HD2 TYR 4 HD2 TYR 4 -2.028 -5.940 4.329
44 HE1 TYR 4 HE1 TYR 4 -3.337 -3.156 8.190
45 HE2 TYR 4 HE2 TYR 4 -3.932 -6.654 5.765
46 HH TYR 4 HOH TYR 4 -4.540 -5.192 8.847
47 H THR 5 HN THR 5 1.845 -6.444 5.058
48 HA THR 5 HA THR 5 4.144 -5.679 3.444
49 HB THR 5 HB THR 5 2.941 -8.443 3.810
50 HG1 THR 5 HG1 THR 5 4.136 -8.528 5.712
51 1HG2 THR 5 1HG2 THR 5 5.808 -7.452 3.404
52 2HG2 THR 5 2HG2 THR 5 5.351 -9.126 3.789
53 3HG2 THR 5 3HG2 THR 5 4.830 -8.414 2.271
54 H CYS 6 HN CYN 6 4.472 -6.309 1.240
55 HA CYS 6 HA CYN 6 2.066 -6.329 -0.518
56 1HB CYS 6 2HB CYN 6 3.879 -4.602 -0.735
57 2HB CYS 6 3HB CYN 6 4.983 -5.897 -1.211
58 H THR 7 HN THR 7 5.054 -8.089 0.276
59 HA THR 7 HA THR 7 5.508 -10.242 0.383
60 HB THR 7 HB THR 7 2.572 -10.738 -0.270
61 HG1 THR 7 HG1 THR 7 2.731 -11.046 2.115
62 1HG2 THR 7 2HG2 THR 7 4.713 -12.550 0.929
63 2HG2 THR 7 3HG2 THR 7 2.977 -12.905 0.838
64 3HG2 THR 7 1HG2 THR 7 3.924 -12.774 -0.649
65 H VAL 8 HN VAL 8 3.438 -9.926 -2.564
66 HA VAL 8 HA VAL 8 5.293 -11.734 -4.018
67 HB VAL 8 HB VAL 8 3.765 -11.389 -5.920
68 1HG1 VAL 8 2HG1 VAL 8 3.430 -13.225 -4.304
69 2HG1 VAL 8 3HG1 VAL 8 2.362 -12.185 -3.336
70 3HG1 VAL 8 1HG1 VAL 8 1.898 -12.650 -4.983
71 1HG2 VAL 8 2HG2 VAL 8 2.919 -9.081 -5.356
72 2HG2 VAL 8 3HG2 VAL 8 1.634 -10.253 -5.669
73 3HG2 VAL 8 1HG2 VAL 8 2.003 -9.779 -4.007
74 H CYS 9 HN CYN 9 6.767 -9.726 -3.063
75 HA CYS 9 HA CYN 9 7.776 -7.932 -5.038
76 1HB CYS 9 2HB CYN 9 5.588 -6.981 -5.109
77 2HB CYS 9 3HB CYN 9 5.428 -7.084 -3.354
78 H GLY 10 HN GLY 10 7.006 -6.455 -2.037
79 1HA GLY 10 2HA GLY 10 8.186 -7.059 0.144
80 2HA GLY 10 3HA GLY 10 9.651 -7.194 -0.836
81 H TYR 11 HN TYR 11 6.936 -4.879 -0.354
82 HA TYR 11 HA TYR 11 8.905 -2.618 -0.292
83 1HB TYR 11 2HB TYR 11 7.451 -2.403 -2.180
84 2HB TYR 11 3HB TYR 11 6.019 -2.735 -1.212
85 HD1 TYR 11 HD2 TYR 11 8.900 -0.321 -1.442
86 HD2 TYR 11 HD1 TYR 11 4.768 -0.898 -0.346
87 HE1 TYR 11 HE2 TYR 11 8.676 2.105 -0.972
88 HE2 TYR 11 HE1 TYR 11 4.558 1.526 0.124
89 HH TYR 11 HOH TYR 11 5.569 3.649 -0.369
90 H ILE 12 HN ILE 12 5.713 -3.509 0.975
91 HA ILE 12 HA ILE 12 4.757 -3.418 2.956
92 HB ILE 12 HB ILE 12 7.351 -2.428 4.150
93 1HG1 ILE 12 2HG1 ILE 12 5.585 -4.767 4.917
94 2HG1 ILE 12 3HG1 ILE 12 6.727 -4.915 3.566
95 1HG2 ILE 12 3HG2 ILE 12 4.615 -2.569 5.471
96 2HG2 ILE 12 1HG2 ILE 12 6.154 -2.487 6.342
97 3HG2 ILE 12 2HG2 ILE 12 5.660 -1.140 5.330
98 1HD1 ILE 12 1HD1 ILE 12 8.597 -4.354 5.090
99 2HD1 ILE 12 2HD1 ILE 12 7.458 -4.294 6.457
100 3HD1 ILE 12 3HD1 ILE 12 7.712 -5.810 5.583
101 H TYR 13 HN TYR 13 3.086 -2.175 2.890
102 HA TYR 13 HA TYR 13 3.171 0.670 2.154
103 1HB TYR 13 2HB TYR 13 1.358 -0.783 1.367
104 2HB TYR 13 3HB TYR 13 0.960 -1.230 3.032
105 HD1 TYR 13 HD1 TYR 13 -0.265 0.339 4.508
106 HD2 TYR 13 HD2 TYR 13 0.523 1.260 0.412
107 HE1 TYR 13 HE1 TYR 13 -1.679 2.366 4.668
108 HE2 TYR 13 HE2 TYR 13 -0.348 3.585 0.760
109 HH TYR 13 HOH TYR 13 -2.367 4.399 3.624
110 H ASN 14 HN ASN 14 2.890 2.349 3.641
111 HA ASN 14 HA ASN 14 2.384 1.637 6.460
112 1HB ASN 14 2HB ASN 14 4.797 2.210 6.088
113 2HB ASN 14 3HB ASN 14 4.300 3.774 5.480
114 1HD2 ASN 14 2HND ASN 14 5.120 4.156 9.120
115 2HD2 ASN 14 1HND ASN 14 5.826 4.255 7.523
116 HA PRO 15 HA PRO 15 -0.834 4.459 5.432
117 1HB PRO 15 2HB PRO 15 -2.229 4.389 7.869
118 2HB PRO 15 3HB PRO 15 -2.464 3.220 6.553
119 1HG PRO 15 2HG PRO 15 -0.968 2.869 9.097
120 2HG PRO 15 3HG PRO 15 -1.773 1.675 8.034
121 1HD PRO 15 2HD PRO 15 0.981 2.162 8.226
122 2HD PRO 15 3HD PRO 15 0.228 1.257 6.913
123 H GLU 16 HN GLU 16 0.971 4.759 8.527
124 HA GLU 16 HA GLU 16 0.085 7.424 9.014
125 1HB GLU 16 2HB GLU 16 2.603 5.927 9.823
126 2HB GLU 16 3HB GLU 16 2.125 7.513 10.405
127 1HG GLU 16 2HG GLU 16 -0.208 5.989 10.789
128 2HG GLU 16 3HG GLU 16 1.082 4.836 11.160
129 H ASP 17 HN ASP 17 2.440 6.055 6.852
130 HA ASP 17 HA ASP 17 3.694 8.689 6.195
131 1HB ASP 17 2HB ASP 17 4.106 5.878 5.152
132 2HB ASP 17 3HB ASP 17 5.002 7.287 4.596
133 H GLY 18 HN GLY 18 1.390 6.259 5.013
134 1HA GLY 18 2HA GLY 18 0.054 6.133 3.246
135 2HA GLY 18 3HA GLY 18 0.311 7.849 2.886
136 H ASP 19 HN ASP 19 0.506 7.232 0.672
137 HA ASP 19 HA ASP 19 3.279 6.718 -0.140
138 1HB ASP 19 2HB ASP 19 0.961 4.946 -0.939
139 2HB ASP 19 3HB ASP 19 2.123 5.370 -2.178
140 HA PRO 20 HA PRO 20 0.515 10.270 -1.449
141 1HB PRO 20 2HB PRO 20 2.278 12.363 -0.984
142 2HB PRO 20 3HB PRO 20 1.129 11.690 0.212
143 1HG PRO 20 2HG PRO 20 4.065 11.049 -0.123
144 2HG PRO 20 3HG PRO 20 3.172 11.355 1.395
145 1HD PRO 20 2HD PRO 20 3.729 8.839 0.597
146 2HD PRO 20 3HD PRO 20 2.139 9.226 1.314
147 H ASP 21 HN ASP 21 4.019 9.847 -2.214
148 HA ASP 21 HA ASP 21 4.269 11.254 -4.531
149 1HB ASP 21 2HB ASP 21 5.354 8.489 -3.800
150 2HB ASP 21 3HB ASP 21 6.047 9.595 -4.988
151 H ASN 22 HN ASN 22 2.519 8.286 -3.930
152 HA ASN 22 HA ASN 22 2.157 7.655 -6.798
153 1HB ASN 22 2HB ASN 22 1.444 6.016 -4.336
154 2HB ASN 22 3HB ASN 22 1.568 5.448 -5.994
155 1HD2 ASN 22 2HND ASN 22 4.925 5.867 -3.666
156 2HD2 ASN 22 1HND ASN 22 3.395 6.551 -3.159
157 H GLY 23 HN GLY 23 0.580 9.083 -4.122
158 1HA GLY 23 2HA GLY 23 -1.299 10.407 -4.847
159 2HA GLY 23 3HA GLY 23 -2.077 8.959 -5.503
160 H VAL 24 HN VAL 24 -0.577 8.003 -2.656
161 HA VAL 24 HA VAL 24 -3.238 8.007 -1.293
162 HB VAL 24 HB VAL 24 -0.764 6.308 -1.017
163 1HG1 VAL 24 3HG1 VAL 24 -3.412 6.196 0.453
164 2HG1 VAL 24 1HG1 VAL 24 -2.241 4.866 0.410
165 3HG1 VAL 24 2HG1 VAL 24 -1.788 6.405 1.164
166 1HG2 VAL 24 2HG2 VAL 24 -2.112 5.896 -3.068
167 2HG2 VAL 24 3HG2 VAL 24 -2.202 4.532 -1.938
168 3HG2 VAL 24 1HG2 VAL 24 -3.559 5.672 -2.067
169 H ASN 25 HN ASN 25 -3.473 9.636 0.135
170 HA ASN 25 HA ASN 25 -1.252 11.162 1.095
171 1HB ASN 25 2HB ASN 25 -4.232 11.061 1.706
172 2HB ASN 25 3HB ASN 25 -3.166 12.022 2.718
173 1HD2 ASN 25 2HND ASN 25 -3.535 13.206 -1.222
174 2HD2 ASN 25 1HND ASN 25 -3.657 11.500 -0.868
175 HA PRO 26 HA PRO 26 -0.202 8.988 4.845
176 1HB PRO 26 2HB PRO 26 0.139 11.082 6.662
177 2HB PRO 26 3HB PRO 26 1.361 10.462 5.531
178 1HG PRO 26 2HG PRO 26 -0.392 12.880 5.235
179 2HG PRO 26 3HG PRO 26 1.316 12.634 4.733
180 1HD PRO 26 2HD PRO 26 -0.807 12.541 2.981
181 2HD PRO 26 3HD PRO 26 0.676 11.568 2.754
182 H GLY 27 HN GLY 27 -1.152 8.255 6.620
183 1HA GLY 27 2HA GLY 27 -2.786 7.724 8.110
184 2HA GLY 27 3HA GLY 27 -3.557 9.303 7.857
185 H THR 28 HN THR 28 -2.967 7.198 4.952
186 HA THR 28 HA THR 28 -5.900 6.891 4.810
187 HB THR 28 HB THR 28 -3.658 6.331 2.822
188 HG1 THR 28 HG1 THR 28 -3.973 8.515 3.030
189 1HG2 THR 28 3HG2 THR 28 -6.700 6.173 2.650
190 2HG2 THR 28 1HG2 THR 28 -5.627 6.190 1.229
191 3HG2 THR 28 2HG2 THR 28 -5.509 4.872 2.412
192 H ASP 29 HN ASP 29 -6.741 5.066 5.539
193 HA ASP 29 HA ASP 29 -5.197 2.832 6.398
194 1HB ASP 29 2HB ASP 29 -7.587 3.566 7.062
195 2HB ASP 29 3HB ASP 29 -8.118 2.785 5.591
196 H PHE 30 HN PHE 30 -4.720 0.970 5.386
197 HA PHE 30 HA PHE 30 -4.390 0.660 2.623
198 1HB PHE 30 2HB PHE 30 -3.602 -0.769 4.679
199 2HB PHE 30 3HB PHE 30 -5.088 -1.680 4.435
200 HD1 PHE 30 HD2 PHE 30 -5.451 -2.701 2.005
201 HD2 PHE 30 HD1 PHE 30 -1.692 -1.174 3.449
202 HE1 PHE 30 HE2 PHE 30 -4.308 -3.577 -0.007
203 HE2 PHE 30 HE1 PHE 30 -0.547 -2.137 1.464
204 HZ PHE 30 HZ PHE 30 -1.861 -3.174 -0.313
205 H LYS 31 HN LYS 31 -7.315 0.110 4.651
206 HA LYS 31 HA LYS 31 -8.645 -1.354 2.515
207 1HB LYS 31 2HB LYS 31 -10.596 -1.327 3.807
208 2HB LYS 31 3HB LYS 31 -9.214 -1.646 4.877
209 1HG LYS 31 2HG LYS 31 -9.177 0.828 5.385
210 2HG LYS 31 3HG LYS 31 -10.664 0.979 4.448
211 1HD LYS 31 2HD LYS 31 -11.772 -0.630 5.972
212 2HD LYS 31 3HD LYS 31 -10.259 -0.770 6.884
213 1HE LYS 31 2HE LYS 31 -11.802 0.809 8.038
214 2HE LYS 31 3HE LYS 31 -10.322 1.614 7.504
215 1HZ LYS 31 2HNZ LYS 31 -11.539 2.500 5.604
216 2HZ LYS 31 3HNZ LYS 31 -12.917 1.799 6.109
217 3HZ LYS 31 1HNZ LYS 31 -12.167 2.979 6.995
218 H ASP 32 HN ASP 32 -8.325 2.005 3.455
219 HA ASP 32 HA ASP 32 -10.505 2.968 1.754
220 1HB ASP 32 2HB ASP 32 -8.543 4.328 3.652
221 2HB ASP 32 3HB ASP 32 -9.804 5.171 2.768
222 H ILE 33 HN ILE 33 -7.101 2.230 1.330
223 HA ILE 33 HA ILE 33 -6.286 4.163 -0.422
224 HB ILE 33 HB ILE 33 -5.931 1.221 -0.325
225 1HG1 ILE 33 2HG1 ILE 33 -4.390 3.599 0.683
226 2HG1 ILE 33 3HG1 ILE 33 -5.070 2.344 1.626
227 1HG2 ILE 33 2HG2 ILE 33 -5.352 2.034 -2.580
228 2HG2 ILE 33 3HG2 ILE 33 -4.148 3.104 -1.801
229 3HG2 ILE 33 1HG2 ILE 33 -4.034 1.324 -1.658
230 1HD1 ILE 33 1HD1 ILE 33 -3.466 0.699 0.445
231 2HD1 ILE 33 2HD1 ILE 33 -2.598 2.167 -0.095
232 3HD1 ILE 33 3HD1 ILE 33 -2.801 1.816 1.630
233 HA PRO 34 HA PRO 34 -9.391 3.638 -3.737
234 1HB PRO 34 2HB PRO 34 -7.203 4.358 -5.614
235 2HB PRO 34 3HB PRO 34 -8.753 5.190 -5.358
236 1HG PRO 34 2HG PRO 34 -6.360 6.242 -4.484
237 2HG PRO 34 3HG PRO 34 -7.903 6.470 -3.606
238 1HD PRO 34 2HD PRO 34 -5.679 4.509 -2.930
239 2HD PRO 34 3HD PRO 34 -6.705 5.508 -1.884
240 H ASP 35 HN ASP 35 -9.860 1.774 -5.063
241 HA ASP 35 HA ASP 35 -7.827 -0.300 -4.904
242 1HB ASP 35 2HB ASP 35 -10.721 -0.188 -5.131
243 2HB ASP 35 3HB ASP 35 -10.043 -1.210 -6.382
244 H ASP 36 HN ASP 36 -8.470 2.149 -7.131
245 HA ASP 36 HA ASP 36 -7.208 0.888 -9.427
246 1HB ASP 36 2HB ASP 36 -7.286 3.273 -10.242
247 2HB ASP 36 3HB ASP 36 -8.871 2.626 -9.790
248 H TRP 37 HN TRP 37 -6.058 2.009 -6.379
249 HA TRP 37 HA TRP 37 -3.574 3.173 -7.305
250 1HB TRP 37 2HB TRP 37 -4.464 3.593 -5.059
251 2HB TRP 37 3HB TRP 37 -4.404 1.861 -4.721
252 HD1 TRP 37 HD TRP 37 -1.890 4.732 -5.235
253 HE1 TRP 37 HNE TRP 37 0.190 4.176 -3.842
254 HE3 TRP 37 HE TRP 37 -3.128 -0.021 -3.880
255 HZ2 TRP 37 HZ1 TRP 37 1.141 1.957 -2.216
256 HZ3 TRP 37 HZ2 TRP 37 -1.559 -1.384 -2.483
257 HH2 TRP 37 HH TRP 37 0.548 -0.393 -1.638
258 H VAL 38 HN VAL 38 -1.499 2.123 -6.993
259 HA VAL 38 HA VAL 38 -1.442 -0.812 -7.367
260 HB VAL 38 HB VAL 38 -1.637 0.339 -9.582
261 1HG1 VAL 38 2HG1 VAL 38 -0.413 2.439 -9.048
262 2HG1 VAL 38 3HG1 VAL 38 1.106 1.519 -8.954
263 3HG1 VAL 38 1HG1 VAL 38 0.224 1.628 -10.486
264 1HG2 VAL 38 1HG2 VAL 38 -0.541 -1.834 -9.378
265 2HG2 VAL 38 2HG2 VAL 38 0.151 -0.862 -10.686
266 3HG2 VAL 38 3HG2 VAL 38 1.035 -1.024 -9.155
267 H CYS 39 HN CYN 39 0.716 -1.726 -6.935
268 HA CYS 39 HA CYN 39 1.912 -0.636 -4.639
269 1HB CYS 39 2HB CYN 39 2.056 -2.985 -5.261
270 2HB CYS 39 3HB CYN 39 2.966 -2.547 -6.713
271 HA PRO 40 HA PRO 40 4.137 2.727 -6.417
272 1HB PRO 40 2HB PRO 40 6.282 3.024 -4.657
273 2HB PRO 40 3HB PRO 40 4.604 3.524 -4.325
274 1HG PRO 40 2HG PRO 40 5.901 0.970 -3.444
275 2HG PRO 40 3HG PRO 40 4.889 2.136 -2.519
276 1HD PRO 40 2HD PRO 40 3.792 -0.085 -3.508
277 2HD PRO 40 3HD PRO 40 2.917 1.463 -3.620
278 H LEU 41 HN LEU 41 5.908 -0.329 -5.875
279 HA LEU 41 HA LEU 41 7.295 0.157 -8.396
280 1HB LEU 41 2HB LEU 41 8.695 1.296 -6.605
281 2HB LEU 41 3HB LEU 41 8.949 -0.291 -5.884
282 HG LEU 41 HG LEU 41 10.121 -1.015 -7.969
283 1HD1 LEU 41 2HD1 LEU 41 9.710 1.889 -8.851
284 2HD1 LEU 41 3HD1 LEU 41 10.821 0.741 -9.618
285 3HD1 LEU 41 1HD1 LEU 41 9.086 0.450 -9.687
286 1HD2 LEU 41 2HD2 LEU 41 11.400 -0.036 -6.089
287 2HD2 LEU 41 3HD2 LEU 41 12.137 0.336 -7.653
288 3HD2 LEU 41 1HD2 LEU 41 11.203 1.579 -6.800
289 H CYS 42 HN CYN 42 5.323 -1.652 -8.016
290 HA CYS 42 HA CYN 42 6.966 -3.798 -9.040
291 1HB CYS 42 2HB CYN 42 6.297 -5.626 -7.923
292 2HB CYS 42 3HB CYN 42 6.534 -4.434 -6.656
293 H GLY 43 HN GLY 43 3.472 -3.374 -8.350
294 1HA GLY 43 2HA GLY 43 2.392 -2.339 -10.569
295 2HA GLY 43 3HA GLY 43 2.852 -3.944 -11.160
296 H VAL 44 HN VAL 44 0.976 -4.992 -11.288
297 HA VAL 44 HA VAL 44 -0.832 -6.156 -10.775
298 HB VAL 44 HB VAL 44 0.369 -6.240 -7.978
299 1HG1 VAL 44 1HG1 VAL 44 -1.644 -8.056 -9.387
300 2HG1 VAL 44 2HG1 VAL 44 -0.838 -8.418 -7.850
301 3HG1 VAL 44 3HG1 VAL 44 -1.956 -7.057 -7.951
302 1HG2 VAL 44 2HG2 VAL 44 0.736 -8.031 -10.422
303 2HG2 VAL 44 3HG2 VAL 44 1.976 -6.985 -9.696
304 3HG2 VAL 44 1HG2 VAL 44 1.356 -8.370 -8.794
305 H GLY 45 HN GLY 45 -0.792 -4.427 -7.601
306 1HA GLY 45 2HA GLY 45 -2.777 -2.594 -7.783
307 2HA GLY 45 3HA GLY 45 -3.695 -4.102 -7.913
308 H LYS 46 HN LYS 46 -4.692 -4.172 -5.951
309 HA LYS 46 HA LYS 46 -3.027 -4.283 -3.449
310 1HB LYS 46 2HB LYS 46 -5.967 -3.649 -3.860
311 2HB LYS 46 3HB LYS 46 -5.107 -3.768 -2.306
312 1HG LYS 46 2HG LYS 46 -3.882 -1.778 -2.756
313 2HG LYS 46 3HG LYS 46 -4.482 -1.737 -4.443
314 1HD LYS 46 2HD LYS 46 -5.852 -0.176 -3.279
315 2HD LYS 46 3HD LYS 46 -6.806 -1.632 -3.563
316 1HE LYS 46 2HE LYS 46 -6.284 -2.355 -1.167
317 2HE LYS 46 3HE LYS 46 -5.561 -0.786 -0.939
318 1HZ LYS 46 3HNZ LYS 46 -8.372 -1.239 -1.817
319 2HZ LYS 46 1HNZ LYS 46 -7.904 -0.818 -0.257
320 3HZ LYS 46 2HNZ LYS 46 -7.737 0.217 -1.506
321 H ASP 47 HN ASP 47 -2.525 -6.648 -3.721
322 HA ASP 47 HA ASP 47 -4.742 -8.241 -2.778
323 1HB ASP 47 2HB ASP 47 -4.315 -10.071 -4.337
324 2HB ASP 47 3HB ASP 47 -4.844 -8.629 -5.204
325 H GLN 48 HN GLN 48 -3.769 -10.355 -2.208
326 HA GLN 48 HA GLN 48 -2.703 -11.233 -0.310
327 1HB GLN 48 2HB GLN 48 -0.814 -11.081 -2.651
328 2HB GLN 48 3HB GLN 48 -0.223 -11.761 -1.135
329 1HG GLN 48 2HG GLN 48 -1.034 -13.502 -2.614
330 2HG GLN 48 3HG GLN 48 -1.894 -13.467 -1.076
331 1HE2 GLN 48 2HNE GLN 48 -5.064 -12.726 -2.559
332 2HE2 GLN 48 1HNE GLN 48 -4.154 -12.678 -1.058
333 H PHE 49 HN PHE 49 -3.075 -8.679 0.413
334 HA PHE 49 HA PHE 49 -0.497 -7.717 1.450
335 1HB PHE 49 2HB PHE 49 -1.834 -5.713 2.147
336 2HB PHE 49 3HB PHE 49 -1.654 -6.001 0.442
337 HD1 PHE 49 HD2 PHE 49 -4.122 -6.064 3.228
338 HD2 PHE 49 HD1 PHE 49 -3.500 -6.478 -1.008
339 HE1 PHE 49 HE2 PHE 49 -6.552 -5.860 2.862
340 HE2 PHE 49 HE1 PHE 49 -5.966 -6.384 -1.368
341 HZ PHE 49 HZ PHE 49 -7.485 -6.035 0.558
342 H GLU 50 HN GLU 50 0.196 -8.453 3.324
343 HA GLU 50 HA GLU 50 -1.652 -9.610 5.368
344 1HB GLU 50 2HB GLU 50 1.353 -9.737 4.849
345 2HB GLU 50 3HB GLU 50 0.596 -10.435 6.269
346 1HG GLU 50 2HG GLU 50 -0.647 -12.025 4.919
347 2HG GLU 50 3HG GLU 50 -0.245 -11.173 3.417
348 H GLU 51 HN GLU 51 -1.424 -8.781 7.691
349 HA GLU 51 HA GLU 51 -0.809 -5.954 7.720
350 1HB GLU 51 2HB GLU 51 -2.825 -6.814 8.763
351 2HB GLU 51 3HB GLU 51 -1.903 -7.942 9.760
352 1HG GLU 51 2HG GLU 51 -0.951 -6.336 11.024
353 2HG GLU 51 3HG GLU 51 -1.299 -4.980 9.928
354 H VAL 52 HN VAL 52 0.889 -4.989 8.868
355 HA VAL 52 HA VAL 52 3.083 -6.702 9.877
356 HB VAL 52 HB VAL 52 2.861 -3.979 8.546
357 1HG1 VAL 52 1HG1 VAL 52 5.237 -5.131 10.061
358 2HG1 VAL 52 2HG1 VAL 52 5.296 -3.716 8.976
359 3HG1 VAL 52 3HG1 VAL 52 4.341 -3.645 10.463
360 1HG2 VAL 52 3HG2 VAL 52 3.047 -5.922 7.105
361 2HG2 VAL 52 1HG2 VAL 52 4.432 -4.819 7.005
362 3HG2 VAL 52 2HG2 VAL 52 4.584 -6.361 7.889
363 H GLU 53 HN GLU 53 2.729 -6.940 12.026
364 HA GLU 53 HA GLU 53 1.347 -5.124 13.695
365 1HB GLU 53 2HB GLU 53 2.016 -6.681 15.430
366 2HB GLU 53 3HB GLU 53 1.278 -7.482 14.046
367 1HG GLU 53 2HG GLU 53 3.641 -8.114 13.280
368 2HG GLU 53 3HG GLU 53 4.239 -7.431 14.778
369 H GLU 54 HN GLU 54 2.710 -3.343 12.930
370 HA GLU 54 HA GLU 54 5.042 -2.622 14.567
371 1HB GLU 54 2HB GLU 54 4.415 -0.297 14.063
372 2HB GLU 54 3HB GLU 54 4.647 -1.280 12.611
373 1HG GLU 54 2HG GLU 54 2.216 -1.466 12.293
374 2HG GLU 54 3HG GLU 54 1.928 -0.641 13.835
No H/Q in entry = 374
Start of MODEL 19
1 1H MET 1 1HN MET 1 -5.214 -0.693 8.676
2 2H MET 1 2HN MET 1 -6.309 0.570 8.667
3 3H MET 1 3HN MET 1 -4.948 0.619 7.742
4 HA MET 1 HA MET 1 -5.228 0.832 10.625
5 1HB MET 1 2HB MET 1 -3.436 2.667 10.362
6 2HB MET 1 3HB MET 1 -3.601 2.406 8.625
7 1HG MET 1 2HG MET 1 -5.687 3.022 8.591
8 2HG MET 1 3HG MET 1 -6.076 2.792 10.264
9 1HE MET 1 3HE MET 1 -4.530 4.199 12.155
10 2HE MET 1 1HE MET 1 -5.148 5.870 12.149
11 3HE MET 1 2HE MET 1 -6.276 4.509 11.989
12 H LYS 2 HN LYS 2 -2.349 1.174 10.965
13 HA LYS 2 HA LYS 2 -0.417 0.088 11.259
14 1HB LYS 2 2HB LYS 2 -1.832 -2.538 10.801
15 2HB LYS 2 3HB LYS 2 -0.373 -2.207 11.748
16 1HG LYS 2 2HG LYS 2 -1.847 -0.752 13.255
17 2HG LYS 2 3HG LYS 2 -3.250 -1.479 12.394
18 1HD LYS 2 2HD LYS 2 -1.978 -3.716 12.804
19 2HD LYS 2 3HD LYS 2 -1.137 -2.835 14.074
20 1HE LYS 2 2HE LYS 2 -4.174 -3.254 13.766
21 2HE LYS 2 3HE LYS 2 -3.142 -4.155 14.880
22 1HZ LYS 2 1HNZ LYS 2 -3.607 -1.248 14.990
23 2HZ LYS 2 2HNZ LYS 2 -4.281 -2.367 15.993
24 3HZ LYS 2 3HNZ LYS 2 -2.654 -2.108 16.023
25 H LYS 3 HN LYS 3 1.160 -1.526 10.229
26 HA LYS 3 HA LYS 3 1.281 -0.702 7.420
27 1HB LYS 3 2HB LYS 3 3.246 -2.172 9.208
28 2HB LYS 3 3HB LYS 3 3.560 -1.555 7.583
29 1HG LYS 3 2HG LYS 3 3.041 0.748 8.331
30 2HG LYS 3 3HG LYS 3 2.636 0.164 9.926
31 1HD LYS 3 2HD LYS 3 4.764 1.015 10.217
32 2HD LYS 3 3HD LYS 3 4.853 -0.757 10.251
33 1HE LYS 3 2HE LYS 3 5.804 -0.823 8.019
34 2HE LYS 3 3HE LYS 3 5.744 0.949 7.911
35 1HZ LYS 3 2HNZ LYS 3 7.186 -0.537 10.013
36 2HZ LYS 3 3HNZ LYS 3 7.915 0.053 8.650
37 3HZ LYS 3 1HNZ LYS 3 7.237 1.065 9.763
38 H TYR 4 HN TYR 4 1.994 -2.298 5.822
39 HA TYR 4 HA TYR 4 1.047 -5.062 6.257
40 1HB TYR 4 2HB TYR 4 -0.146 -3.042 4.360
41 2HB TYR 4 3HB TYR 4 -0.176 -4.749 3.925
42 HD1 TYR 4 HD2 TYR 4 -1.457 -2.323 6.429
43 HD2 TYR 4 HD1 TYR 4 -1.803 -6.199 4.651
44 HE1 TYR 4 HE2 TYR 4 -3.450 -2.765 7.789
45 HE2 TYR 4 HE1 TYR 4 -3.827 -6.665 6.005
46 HH TYR 4 HOH TYR 4 -5.231 -5.849 7.699
47 H THR 5 HN THR 5 1.851 -6.602 4.738
48 HA THR 5 HA THR 5 4.121 -5.785 3.090
49 HB THR 5 HB THR 5 2.794 -8.510 3.076
50 HG1 THR 5 HG1 THR 5 4.377 -7.327 5.111
51 1HG2 THR 5 1HG2 THR 5 5.711 -7.585 2.977
52 2HG2 THR 5 2HG2 THR 5 5.160 -9.271 3.025
53 3HG2 THR 5 3HG2 THR 5 4.774 -8.266 1.626
54 H CYS 6 HN CYN 6 4.326 -6.209 0.789
55 HA CYS 6 HA CYN 6 2.003 -5.716 -0.912
56 1HB CYS 6 2HB CYN 6 4.153 -4.804 -1.524
57 2HB CYS 6 3HB CYN 6 4.917 -6.389 -1.397
58 H THR 7 HN THR 7 1.621 -7.301 -2.720
59 HA THR 7 HA THR 7 0.745 -9.835 -2.046
60 HB THR 7 HB THR 7 1.933 -8.931 -4.702
61 HG1 THR 7 HG1 THR 7 -0.535 -8.261 -3.500
62 1HG2 THR 7 1HG2 THR 7 1.097 -11.278 -4.662
63 2HG2 THR 7 2HG2 THR 7 -0.491 -10.684 -4.121
64 3HG2 THR 7 3HG2 THR 7 0.131 -10.227 -5.716
65 H VAL 8 HN VAL 8 3.987 -8.774 -3.108
66 HA VAL 8 HA VAL 8 5.205 -11.257 -2.271
67 HB VAL 8 HB VAL 8 4.217 -12.171 -4.242
68 1HG1 VAL 8 3HG1 VAL 8 5.537 -9.953 -5.858
69 2HG1 VAL 8 1HG1 VAL 8 4.694 -11.372 -6.513
70 3HG1 VAL 8 2HG1 VAL 8 3.794 -10.170 -5.585
71 1HG2 VAL 8 1HG2 VAL 8 6.546 -12.865 -3.678
72 2HG2 VAL 8 2HG2 VAL 8 6.104 -13.075 -5.380
73 3HG2 VAL 8 3HG2 VAL 8 7.143 -11.722 -4.904
74 H CYS 9 HN CYN 9 5.633 -8.021 -3.828
75 HA CYS 9 HA CYN 9 8.522 -8.434 -3.815
76 1HB CYS 9 2HB CYN 9 8.742 -6.417 -4.845
77 2HB CYS 9 3HB CYN 9 7.215 -7.031 -5.491
78 H GLY 10 HN GLY 10 9.807 -6.503 -2.735
79 1HA GLY 10 2HA GLY 10 9.262 -6.822 0.167
80 2HA GLY 10 3HA GLY 10 10.751 -6.266 -0.600
81 H TYR 11 HN TYR 11 7.327 -5.124 -0.888
82 HA TYR 11 HA TYR 11 8.264 -2.421 0.025
83 1HB TYR 11 2HB TYR 11 7.713 -2.970 -2.527
84 2HB TYR 11 3HB TYR 11 6.088 -2.559 -2.021
85 HD1 TYR 11 HD2 TYR 11 6.130 -0.269 -0.397
86 HD2 TYR 11 HD1 TYR 11 9.032 -1.337 -3.411
87 HE1 TYR 11 HE2 TYR 11 6.836 2.095 -0.562
88 HE2 TYR 11 HE1 TYR 11 9.768 1.009 -3.526
89 HH TYR 11 HOH TYR 11 8.076 3.625 -1.774
90 H ILE 12 HN ILE 12 7.604 -2.819 2.136
91 HA ILE 12 HA ILE 12 4.882 -3.510 2.759
92 HB ILE 12 HB ILE 12 7.280 -2.535 4.291
93 1HG1 ILE 12 2HG1 ILE 12 5.353 -4.832 4.820
94 2HG1 ILE 12 3HG1 ILE 12 6.670 -4.967 3.652
95 1HG2 ILE 12 3HG2 ILE 12 4.462 -2.547 5.455
96 2HG2 ILE 12 1HG2 ILE 12 5.950 -2.498 6.408
97 3HG2 ILE 12 2HG2 ILE 12 5.562 -1.157 5.343
98 1HD1 ILE 12 3HD1 ILE 12 8.332 -4.533 5.403
99 2HD1 ILE 12 1HD1 ILE 12 7.044 -4.411 6.624
100 3HD1 ILE 12 2HD1 ILE 12 7.319 -5.940 5.780
101 H TYR 13 HN TYR 13 3.116 -2.245 2.841
102 HA TYR 13 HA TYR 13 3.311 0.621 2.160
103 1HB TYR 13 2HB TYR 13 1.496 -0.647 1.131
104 2HB TYR 13 3HB TYR 13 0.948 -1.207 2.713
105 HD1 TYR 13 HD1 TYR 13 1.739 2.086 1.022
106 HD2 TYR 13 HD2 TYR 13 -1.050 -0.146 3.386
107 HE1 TYR 13 HE1 TYR 13 0.489 4.160 1.500
108 HE2 TYR 13 HE2 TYR 13 -2.168 1.983 4.091
109 HH TYR 13 HOH TYR 13 -2.337 4.359 3.688
110 H ASN 14 HN ASN 14 3.049 2.249 3.654
111 HA ASN 14 HA ASN 14 2.508 1.517 6.484
112 1HB ASN 14 2HB ASN 14 4.922 2.093 6.092
113 2HB ASN 14 3HB ASN 14 4.421 3.663 5.487
114 1HD2 ASN 14 2HND ASN 14 5.247 4.226 9.035
115 2HD2 ASN 14 1HND ASN 14 5.919 4.255 7.417
116 HA PRO 15 HA PRO 15 -0.704 4.358 5.425
117 1HB PRO 15 2HB PRO 15 -2.127 4.267 7.875
118 2HB PRO 15 3HB PRO 15 -2.359 3.157 6.505
119 1HG PRO 15 2HG PRO 15 -0.925 2.674 9.049
120 2HG PRO 15 3HG PRO 15 -1.736 1.555 7.909
121 1HD PRO 15 2HD PRO 15 1.042 2.025 8.196
122 2HD PRO 15 3HD PRO 15 0.328 1.126 6.853
123 H GLU 16 HN GLU 16 1.157 4.624 8.472
124 HA GLU 16 HA GLU 16 0.287 7.267 9.049
125 1HB GLU 16 2HB GLU 16 2.884 5.834 9.721
126 2HB GLU 16 3HB GLU 16 2.301 7.342 10.407
127 1HG GLU 16 2HG GLU 16 0.105 5.931 10.950
128 2HG GLU 16 3HG GLU 16 1.179 4.535 10.744
129 H ASP 17 HN ASP 17 2.587 5.960 6.792
130 HA ASP 17 HA ASP 17 3.798 8.619 6.151
131 1HB ASP 17 2HB ASP 17 4.264 5.817 5.099
132 2HB ASP 17 3HB ASP 17 5.127 7.249 4.541
133 H GLY 18 HN GLY 18 1.501 6.181 4.954
134 1HA GLY 18 2HA GLY 18 0.194 6.068 3.189
135 2HA GLY 18 3HA GLY 18 0.373 7.794 2.876
136 H ASP 19 HN ASP 19 0.573 7.326 0.644
137 HA ASP 19 HA ASP 19 3.311 6.905 -0.251
138 1HB ASP 19 2HB ASP 19 1.234 4.863 -0.706
139 2HB ASP 19 3HB ASP 19 1.797 5.501 -2.235
140 HA PRO 20 HA PRO 20 0.428 10.334 -1.617
141 1HB PRO 20 2HB PRO 20 2.162 12.468 -1.228
142 2HB PRO 20 3HB PRO 20 1.018 11.825 -0.010
143 1HG PRO 20 2HG PRO 20 3.964 11.222 -0.314
144 2HG PRO 20 3HG PRO 20 3.059 11.558 1.192
145 1HD PRO 20 2HD PRO 20 3.681 9.032 0.458
146 2HD PRO 20 3HD PRO 20 2.089 9.392 1.183
147 H ASP 21 HN ASP 21 3.900 9.798 -2.397
148 HA ASP 21 HA ASP 21 4.149 11.208 -4.734
149 1HB ASP 21 2HB ASP 21 5.247 8.469 -3.921
150 2HB ASP 21 3HB ASP 21 5.924 9.519 -5.169
151 H ASN 22 HN ASN 22 2.425 8.232 -4.068
152 HA ASN 22 HA ASN 22 2.022 7.589 -6.937
153 1HB ASN 22 2HB ASN 22 1.404 5.929 -4.465
154 2HB ASN 22 3HB ASN 22 1.485 5.372 -6.133
155 1HD2 ASN 22 2HND ASN 22 4.877 5.759 -3.869
156 2HD2 ASN 22 1HND ASN 22 3.391 6.460 -3.336
157 H GLY 23 HN GLY 23 0.453 8.778 -4.119
158 1HA GLY 23 2HA GLY 23 -1.409 10.235 -4.812
159 2HA GLY 23 3HA GLY 23 -2.192 8.834 -5.546
160 H VAL 24 HN VAL 24 -0.581 8.090 -2.557
161 HA VAL 24 HA VAL 24 -3.242 7.925 -1.176
162 HB VAL 24 HB VAL 24 -0.693 6.318 -1.007
163 1HG1 VAL 24 1HG1 VAL 24 -3.217 6.152 0.653
164 2HG1 VAL 24 2HG1 VAL 24 -2.006 4.855 0.554
165 3HG1 VAL 24 3HG1 VAL 24 -1.557 6.425 1.245
166 1HG2 VAL 24 2HG2 VAL 24 -2.168 5.810 -2.951
167 2HG2 VAL 24 3HG2 VAL 24 -2.140 4.472 -1.791
168 3HG2 VAL 24 1HG2 VAL 24 -3.533 5.574 -1.844
169 H ASN 25 HN ASN 25 -3.471 9.599 0.201
170 HA ASN 25 HA ASN 25 -1.273 11.189 1.129
171 1HB ASN 25 2HB ASN 25 -4.233 11.000 1.791
172 2HB ASN 25 3HB ASN 25 -3.172 11.964 2.806
173 1HD2 ASN 25 2HND ASN 25 -3.681 13.198 -1.100
174 2HD2 ASN 25 1HND ASN 25 -3.865 11.499 -0.736
175 HA PRO 26 HA PRO 26 -0.091 8.948 4.807
176 1HB PRO 26 2HB PRO 26 0.313 11.010 6.645
177 2HB PRO 26 3HB PRO 26 1.493 10.406 5.466
178 1HG PRO 26 2HG PRO 26 -0.239 12.846 5.289
179 2HG PRO 26 3HG PRO 26 1.435 12.578 4.689
180 1HD PRO 26 2HD PRO 26 -0.821 12.545 3.075
181 2HD PRO 26 3HD PRO 26 0.663 11.618 2.708
182 H GLY 27 HN GLY 27 -0.981 8.184 6.633
183 1HA GLY 27 2HA GLY 27 -2.568 7.677 8.189
184 2HA GLY 27 3HA GLY 27 -3.345 9.253 7.943
185 H THR 28 HN THR 28 -2.836 7.195 5.012
186 HA THR 28 HA THR 28 -5.772 6.921 4.925
187 HB THR 28 HB THR 28 -3.524 6.376 2.937
188 HG1 THR 28 HG1 THR 28 -3.883 8.553 3.145
189 1HG2 THR 28 2HG2 THR 28 -6.544 6.221 2.656
190 2HG2 THR 28 3HG2 THR 28 -5.417 6.196 1.282
191 3HG2 THR 28 1HG2 THR 28 -5.364 4.897 2.489
192 H ASP 29 HN ASP 29 -6.686 5.119 5.592
193 HA ASP 29 HA ASP 29 -5.193 2.779 6.369
194 1HB ASP 29 2HB ASP 29 -7.530 3.572 7.131
195 2HB ASP 29 3HB ASP 29 -8.124 2.933 5.620
196 H PHE 30 HN PHE 30 -4.670 1.055 5.178
197 HA PHE 30 HA PHE 30 -4.573 0.832 2.444
198 1HB PHE 30 2HB PHE 30 -3.772 -0.669 4.445
199 2HB PHE 30 3HB PHE 30 -5.247 -1.584 4.150
200 HD1 PHE 30 HD2 PHE 30 -5.185 -1.376 1.039
201 HD2 PHE 30 HD1 PHE 30 -2.140 -2.203 3.935
202 HE1 PHE 30 HE2 PHE 30 -3.859 -2.511 -0.691
203 HE2 PHE 30 HE1 PHE 30 -0.831 -3.418 2.169
204 HZ PHE 30 HZ PHE 30 -1.758 -3.549 -0.125
205 H LYS 31 HN LYS 31 -7.453 0.203 4.600
206 HA LYS 31 HA LYS 31 -8.900 -1.109 2.429
207 1HB LYS 31 2HB LYS 31 -10.780 -1.114 3.848
208 2HB LYS 31 3HB LYS 31 -9.338 -1.508 4.811
209 1HG LYS 31 2HG LYS 31 -9.236 1.029 5.319
210 2HG LYS 31 3HG LYS 31 -10.808 1.143 4.606
211 1HD LYS 31 2HD LYS 31 -11.601 -0.585 6.279
212 2HD LYS 31 3HD LYS 31 -9.949 -0.636 6.928
213 1HE LYS 31 2HE LYS 31 -10.748 2.147 6.850
214 2HE LYS 31 3HE LYS 31 -12.113 1.262 7.532
215 1HZ LYS 31 1HNZ LYS 31 -10.563 0.358 9.173
216 2HZ LYS 31 2HNZ LYS 31 -9.323 1.202 8.491
217 3HZ LYS 31 3HNZ LYS 31 -10.559 2.011 9.194
218 H ASP 32 HN ASP 32 -8.419 2.205 3.513
219 HA ASP 32 HA ASP 32 -10.630 3.363 2.023
220 1HB ASP 32 2HB ASP 32 -8.245 4.669 3.405
221 2HB ASP 32 3HB ASP 32 -9.662 5.493 2.767
222 H ILE 33 HN ILE 33 -7.237 2.423 1.357
223 HA ILE 33 HA ILE 33 -6.558 4.302 -0.549
224 HB ILE 33 HB ILE 33 -6.033 1.367 -0.345
225 1HG1 ILE 33 2HG1 ILE 33 -4.618 3.862 0.566
226 2HG1 ILE 33 3HG1 ILE 33 -5.173 2.598 1.567
227 1HG2 ILE 33 2HG2 ILE 33 -5.589 2.128 -2.610
228 2HG2 ILE 33 3HG2 ILE 33 -4.411 3.291 -1.927
229 3HG2 ILE 33 1HG2 ILE 33 -4.187 1.528 -1.751
230 1HD1 ILE 33 2HD1 ILE 33 -3.501 1.037 0.417
231 2HD1 ILE 33 3HD1 ILE 33 -2.770 2.522 -0.261
232 3HD1 ILE 33 1HD1 ILE 33 -2.875 2.300 1.487
233 HA PRO 34 HA PRO 34 -9.695 3.273 -3.635
234 1HB PRO 34 2HB PRO 34 -8.189 4.225 -5.872
235 2HB PRO 34 3HB PRO 34 -9.444 5.077 -4.949
236 1HG PRO 34 2HG PRO 34 -6.547 5.540 -4.959
237 2HG PRO 34 3HG PRO 34 -7.799 6.469 -4.086
238 1HD PRO 34 2HD PRO 34 -5.955 4.461 -3.049
239 2HD PRO 34 3HD PRO 34 -7.012 5.541 -2.135
240 H ASP 35 HN ASP 35 -9.979 1.356 -4.849
241 HA ASP 35 HA ASP 35 -7.761 -0.458 -4.979
242 1HB ASP 35 2HB ASP 35 -10.728 -0.462 -5.534
243 2HB ASP 35 3HB ASP 35 -9.713 -1.684 -6.244
244 H ASP 36 HN ASP 36 -8.524 2.093 -6.927
245 HA ASP 36 HA ASP 36 -7.443 1.184 -9.425
246 1HB ASP 36 2HB ASP 36 -8.563 3.552 -8.362
247 2HB ASP 36 3HB ASP 36 -6.996 3.913 -9.100
248 H TRP 37 HN TRP 37 -6.079 1.923 -6.319
249 HA TRP 37 HA TRP 37 -3.539 2.942 -7.248
250 1HB TRP 37 2HB TRP 37 -4.446 3.529 -5.048
251 2HB TRP 37 3HB TRP 37 -4.461 1.829 -4.604
252 HD1 TRP 37 HD TRP 37 -1.900 4.647 -5.158
253 HE1 TRP 37 HNE TRP 37 0.223 4.054 -3.854
254 HE3 TRP 37 HE TRP 37 -3.164 -0.082 -3.778
255 HZ2 TRP 37 HZ1 TRP 37 1.238 1.786 -2.339
256 HZ3 TRP 37 HZ2 TRP 37 -1.568 -1.479 -2.429
257 HH2 TRP 37 HH TRP 37 0.610 -0.541 -1.707
258 H VAL 38 HN VAL 38 -1.490 1.886 -6.976
259 HA VAL 38 HA VAL 38 -1.426 -1.053 -7.189
260 HB VAL 38 HB VAL 38 -0.630 0.996 -9.303
261 1HG1 VAL 38 3HG1 VAL 38 0.222 -1.920 -9.256
262 2HG1 VAL 38 1HG1 VAL 38 0.405 -0.800 -10.611
263 3HG1 VAL 38 2HG1 VAL 38 1.295 -0.505 -9.119
264 1HG2 VAL 38 3HG2 VAL 38 -2.334 -1.535 -9.400
265 2HG2 VAL 38 1HG2 VAL 38 -2.933 0.133 -9.489
266 3HG2 VAL 38 2HG2 VAL 38 -1.944 -0.513 -10.797
267 H CYS 39 HN CYN 39 0.640 -1.864 -6.746
268 HA CYS 39 HA CYN 39 2.078 -0.704 -4.688
269 1HB CYS 39 2HB CYN 39 1.942 -3.094 -5.473
270 2HB CYS 39 3HB CYN 39 3.134 -2.690 -6.718
271 HA PRO 40 HA PRO 40 4.064 2.612 -6.658
272 1HB PRO 40 2HB PRO 40 6.349 3.056 -5.114
273 2HB PRO 40 3HB PRO 40 4.681 3.444 -4.622
274 1HG PRO 40 2HG PRO 40 6.205 0.956 -3.919
275 2HG PRO 40 3HG PRO 40 5.272 2.051 -2.843
276 1HD PRO 40 2HD PRO 40 4.154 -0.186 -3.734
277 2HD PRO 40 3HD PRO 40 3.201 1.321 -3.768
278 H LEU 41 HN LEU 41 6.577 0.126 -5.925
279 HA LEU 41 HA LEU 41 7.801 0.622 -8.625
280 1HB LEU 41 2HB LEU 41 9.206 0.325 -5.942
281 2HB LEU 41 3HB LEU 41 10.014 0.346 -7.514
282 HG LEU 41 HG LEU 41 8.393 2.671 -6.385
283 1HD1 LEU 41 1HD1 LEU 41 11.362 2.033 -6.367
284 2HD1 LEU 41 2HD1 LEU 41 10.762 3.701 -6.253
285 3HD1 LEU 41 3HD1 LEU 41 10.313 2.528 -5.020
286 1HD2 LEU 41 3HD2 LEU 41 10.233 2.477 -8.818
287 2HD2 LEU 41 1HD2 LEU 41 8.471 2.713 -8.864
288 3HD2 LEU 41 2HD2 LEU 41 9.503 3.969 -8.191
289 H CYS 42 HN CYN 42 6.085 -1.219 -8.707
290 HA CYS 42 HA CYN 42 7.499 -3.786 -8.830
291 1HB CYS 42 2HB CYN 42 7.104 -3.946 -6.578
292 2HB CYS 42 3HB CYN 42 5.624 -2.995 -6.658
293 H GLY 43 HN GLY 43 4.113 -2.661 -8.475
294 1HA GLY 43 2HA GLY 43 2.682 -2.163 -10.313
295 2HA GLY 43 3HA GLY 43 3.634 -3.187 -11.379
296 H VAL 44 HN VAL 44 2.045 -3.731 -8.169
297 HA VAL 44 HA VAL 44 0.201 -5.664 -9.468
298 HB VAL 44 HB VAL 44 0.205 -7.052 -7.473
299 1HG1 VAL 44 2HG1 VAL 44 1.703 -7.626 -9.354
300 2HG1 VAL 44 3HG1 VAL 44 3.026 -6.733 -8.575
301 3HG1 VAL 44 1HG1 VAL 44 2.344 -8.169 -7.792
302 1HG2 VAL 44 1HG2 VAL 44 2.455 -5.272 -6.458
303 2HG2 VAL 44 2HG2 VAL 44 0.853 -5.485 -5.726
304 3HG2 VAL 44 3HG2 VAL 44 1.995 -6.830 -5.765
305 H GLY 45 HN GLY 45 -1.866 -5.751 -8.478
306 1HA GLY 45 2HA GLY 45 -2.782 -3.175 -7.405
307 2HA GLY 45 3HA GLY 45 -3.758 -4.592 -7.826
308 H LYS 46 HN LYS 46 -4.664 -3.719 -5.659
309 HA LYS 46 HA LYS 46 -3.205 -4.419 -3.219
310 1HB LYS 46 2HB LYS 46 -6.115 -3.691 -3.672
311 2HB LYS 46 3HB LYS 46 -5.218 -3.723 -2.138
312 1HG LYS 46 2HG LYS 46 -3.934 -1.809 -2.806
313 2HG LYS 46 3HG LYS 46 -4.618 -1.847 -4.448
314 1HD LYS 46 2HD LYS 46 -5.902 -0.177 -3.309
315 2HD LYS 46 3HD LYS 46 -6.893 -1.640 -3.459
316 1HE LYS 46 2HE LYS 46 -6.123 -2.182 -1.022
317 2HE LYS 46 3HE LYS 46 -5.516 -0.544 -1.028
318 1HZ LYS 46 2HNZ LYS 46 -8.354 -1.199 -1.658
319 2HZ LYS 46 3HNZ LYS 46 -7.798 -0.662 -0.146
320 3HZ LYS 46 1HNZ LYS 46 -7.764 0.274 -1.474
321 H ASP 47 HN ASP 47 -2.807 -6.798 -3.674
322 HA ASP 47 HA ASP 47 -5.108 -8.381 -2.771
323 1HB ASP 47 2HB ASP 47 -3.705 -8.693 -5.416
324 2HB ASP 47 3HB ASP 47 -3.943 -10.166 -4.469
325 H GLN 48 HN GLN 48 -4.525 -10.124 -1.725
326 HA GLN 48 HA GLN 48 -3.448 -11.263 -0.049
327 1HB GLN 48 2HB GLN 48 -2.700 -12.221 -2.328
328 2HB GLN 48 3HB GLN 48 -1.167 -11.396 -2.046
329 1HG GLN 48 2HG GLN 48 -0.805 -13.594 -1.285
330 2HG GLN 48 3HG GLN 48 -1.069 -12.690 0.204
331 1HE2 GLN 48 2HNE GLN 48 -3.787 -15.525 -1.035
332 2HE2 GLN 48 1HNE GLN 48 -2.528 -14.965 -2.126
333 H PHE 49 HN PHE 49 -3.311 -8.834 0.877
334 HA PHE 49 HA PHE 49 -0.472 -8.157 1.484
335 1HB PHE 49 2HB PHE 49 -1.533 -6.006 2.297
336 2HB PHE 49 3HB PHE 49 -1.419 -6.304 0.580
337 HD1 PHE 49 HD2 PHE 49 -3.394 -6.766 -0.806
338 HD2 PHE 49 HD1 PHE 49 -3.779 -5.839 3.375
339 HE1 PHE 49 HE2 PHE 49 -5.873 -6.606 -1.052
340 HE2 PHE 49 HE1 PHE 49 -6.207 -5.517 3.092
341 HZ PHE 49 HZ PHE 49 -7.267 -5.938 0.877
342 H GLU 50 HN GLU 50 0.301 -8.932 3.316
343 HA GLU 50 HA GLU 50 -1.411 -9.860 5.530
344 1HB GLU 50 2HB GLU 50 1.572 -9.905 4.895
345 2HB GLU 50 3HB GLU 50 0.924 -10.498 6.416
346 1HG GLU 50 2HG GLU 50 -0.282 -12.269 5.350
347 2HG GLU 50 3HG GLU 50 -0.133 -11.536 3.744
348 H GLU 51 HN GLU 51 -1.236 -8.908 7.725
349 HA GLU 51 HA GLU 51 -0.636 -6.054 7.695
350 1HB GLU 51 2HB GLU 51 -2.725 -6.790 8.668
351 2HB GLU 51 3HB GLU 51 -1.911 -7.997 9.672
352 1HG GLU 51 2HG GLU 51 -0.884 -6.405 10.986
353 2HG GLU 51 3HG GLU 51 -1.362 -5.022 9.977
354 H VAL 52 HN VAL 52 1.001 -5.098 8.881
355 HA VAL 52 HA VAL 52 3.170 -6.789 9.964
356 HB VAL 52 HB VAL 52 3.019 -4.136 8.488
357 1HG1 VAL 52 1HG1 VAL 52 5.327 -5.328 10.072
358 2HG1 VAL 52 2HG1 VAL 52 5.485 -3.986 8.903
359 3HG1 VAL 52 3HG1 VAL 52 4.527 -3.772 10.372
360 1HG2 VAL 52 2HG2 VAL 52 3.133 -6.178 7.133
361 2HG2 VAL 52 3HG2 VAL 52 4.523 -5.087 6.982
362 3HG2 VAL 52 1HG2 VAL 52 4.671 -6.592 7.931
363 H GLU 53 HN GLU 53 2.592 -6.964 12.061
364 HA GLU 53 HA GLU 53 1.441 -4.918 13.652
365 1HB GLU 53 2HB GLU 53 1.654 -6.588 15.404
366 2HB GLU 53 3HB GLU 53 0.922 -7.237 13.939
367 1HG GLU 53 2HG GLU 53 3.271 -8.203 13.388
368 2HG GLU 53 3HG GLU 53 3.727 -7.697 14.998
369 H GLU 54 HN GLU 54 3.014 -3.323 13.167
370 HA GLU 54 HA GLU 54 5.387 -2.990 14.879
371 1HB GLU 54 2HB GLU 54 3.323 -0.921 14.128
372 2HB GLU 54 3HB GLU 54 4.905 -0.610 14.840
373 1HG GLU 54 2HG GLU 54 4.579 -1.954 12.123
374 2HG GLU 54 3HG GLU 54 4.584 -0.195 12.375
No H/Q in entry = 374
Start of MODEL 20
1 1H MET 1 1HN MET 1 -2.000 2.592 12.706
2 2H MET 1 2HN MET 1 -2.198 3.537 11.405
3 3H MET 1 3HN MET 1 -3.410 3.476 12.542
4 HA MET 1 HA MET 1 -3.995 1.330 11.995
5 1HB MET 1 2HB MET 1 -4.377 3.216 10.139
6 2HB MET 1 3HB MET 1 -3.169 2.341 9.274
7 1HG MET 1 2HG MET 1 -5.327 0.671 10.298
8 2HG MET 1 3HG MET 1 -5.751 1.818 9.037
9 1HE MET 1 1HE MET 1 -6.554 -0.806 8.372
10 2HE MET 1 2HE MET 1 -5.472 -1.847 7.426
11 3HE MET 1 3HE MET 1 -5.357 -1.812 9.200
12 H LYS 2 HN LYS 2 -3.306 -0.723 10.501
13 HA LYS 2 HA LYS 2 -0.536 -1.264 11.329
14 1HB LYS 2 2HB LYS 2 -2.704 -3.019 10.112
15 2HB LYS 2 3HB LYS 2 -1.050 -3.531 10.435
16 1HG LYS 2 2HG LYS 2 -1.973 -2.319 12.860
17 2HG LYS 2 3HG LYS 2 -3.281 -3.369 12.255
18 1HD LYS 2 2HD LYS 2 -1.497 -5.174 11.905
19 2HD LYS 2 3HD LYS 2 -0.360 -4.150 12.759
20 1HE LYS 2 2HE LYS 2 -3.044 -5.112 13.879
21 2HE LYS 2 3HE LYS 2 -1.532 -6.006 14.056
22 1HZ LYS 2 1HNZ LYS 2 -0.563 -4.058 15.128
23 2HZ LYS 2 2HNZ LYS 2 -1.979 -3.275 15.076
24 3HZ LYS 2 3HNZ LYS 2 -1.836 -4.650 15.990
25 H LYS 3 HN LYS 3 1.057 -2.019 9.945
26 HA LYS 3 HA LYS 3 1.121 -0.865 7.255
27 1HB LYS 3 2HB LYS 3 3.081 -2.471 8.919
28 2HB LYS 3 3HB LYS 3 3.455 -1.682 7.368
29 1HG LYS 3 2HG LYS 3 2.802 0.502 8.369
30 2HG LYS 3 3HG LYS 3 2.469 -0.285 9.891
31 1HD LYS 3 2HD LYS 3 4.928 -1.043 9.899
32 2HD LYS 3 3HD LYS 3 5.162 0.112 8.568
33 1HE LYS 3 2HE LYS 3 4.149 1.914 10.088
34 2HE LYS 3 3HE LYS 3 4.058 0.703 11.373
35 1HZ LYS 3 3HNZ LYS 3 6.405 0.479 11.291
36 2HZ LYS 3 1HNZ LYS 3 6.550 1.632 10.115
37 3HZ LYS 3 2HNZ LYS 3 5.987 2.021 11.623
38 H TYR 4 HN TYR 4 1.954 -2.367 5.530
39 HA TYR 4 HA TYR 4 0.883 -5.108 5.750
40 1HB TYR 4 2HB TYR 4 -0.291 -3.125 3.725
41 2HB TYR 4 3HB TYR 4 -0.299 -4.836 3.496
42 HD1 TYR 4 HD1 TYR 4 -1.432 -2.372 6.154
43 HD2 TYR 4 HD2 TYR 4 -2.134 -6.042 4.040
44 HE1 TYR 4 HE1 TYR 4 -3.319 -2.881 7.654
45 HE2 TYR 4 HE2 TYR 4 -4.173 -6.431 5.374
46 HH TYR 4 HOH TYR 4 -4.687 -5.074 8.342
47 H THR 5 HN THR 5 1.881 -6.679 4.387
48 HA THR 5 HA THR 5 4.297 -5.708 2.959
49 HB THR 5 HB THR 5 3.402 -8.594 3.198
50 HG1 THR 5 HG1 THR 5 4.724 -6.998 5.130
51 1HG2 THR 5 2HG2 THR 5 5.389 -8.090 1.775
52 2HG2 THR 5 3HG2 THR 5 6.158 -7.262 3.150
53 3HG2 THR 5 1HG2 THR 5 5.826 -9.004 3.225
54 H CYS 6 HN CYN 6 4.618 -5.885 0.684
55 HA CYS 6 HA CYN 6 2.282 -6.063 -1.005
56 1HB CYS 6 2HB CYN 6 4.144 -4.665 -1.640
57 2HB CYS 6 3HB CYN 6 5.225 -6.056 -1.584
58 H THR 7 HN THR 7 1.747 -7.673 -2.453
59 HA THR 7 HA THR 7 1.728 -10.329 -1.782
60 HB THR 7 HB THR 7 1.850 -9.069 -4.562
61 HG1 THR 7 HG1 THR 7 -0.436 -9.070 -4.283
62 1HG2 THR 7 2HG2 THR 7 0.639 -11.711 -3.625
63 2HG2 THR 7 3HG2 THR 7 0.378 -10.982 -5.227
64 3HG2 THR 7 1HG2 THR 7 1.994 -11.515 -4.756
65 H VAL 8 HN VAL 8 4.336 -8.566 -3.437
66 HA VAL 8 HA VAL 8 6.063 -10.981 -3.183
67 HB VAL 8 HB VAL 8 7.141 -10.415 -5.356
68 1HG1 VAL 8 3HG1 VAL 8 5.658 -12.338 -5.136
69 2HG1 VAL 8 1HG1 VAL 8 4.239 -11.319 -5.460
70 3HG1 VAL 8 2HG1 VAL 8 5.451 -11.579 -6.724
71 1HG2 VAL 8 2HG2 VAL 8 4.623 -8.757 -5.856
72 2HG2 VAL 8 3HG2 VAL 8 6.284 -8.137 -5.729
73 3HG2 VAL 8 1HG2 VAL 8 5.842 -9.205 -7.061
74 H CYS 9 HN CYN 9 5.985 -7.362 -3.472
75 HA CYS 9 HA CYN 9 8.806 -7.244 -3.103
76 1HB CYS 9 2HB CYN 9 6.907 -4.959 -2.610
77 2HB CYS 9 3HB CYN 9 8.581 -4.943 -3.181
78 H GLY 10 HN GLY 10 9.925 -6.096 -1.377
79 1HA GLY 10 2HA GLY 10 8.831 -6.655 1.350
80 2HA GLY 10 3HA GLY 10 10.515 -6.374 0.908
81 H TYR 11 HN TYR 11 8.401 -4.134 -0.678
82 HA TYR 11 HA TYR 11 9.668 -1.932 0.557
83 1HB TYR 11 2HB TYR 11 6.989 -1.964 -0.877
84 2HB TYR 11 3HB TYR 11 7.984 -0.546 -0.570
85 HD1 TYR 11 HD1 TYR 11 10.628 -1.005 -1.431
86 HD2 TYR 11 HD2 TYR 11 6.958 -2.480 -3.151
87 HE1 TYR 11 HE1 TYR 11 11.758 -1.303 -3.622
88 HE2 TYR 11 HE2 TYR 11 8.104 -2.837 -5.291
89 HH TYR 11 HOH TYR 11 9.963 -2.423 -6.510
90 H ILE 12 HN ILE 12 6.512 -3.387 1.164
91 HA ILE 12 HA ILE 12 5.070 -3.347 2.826
92 HB ILE 12 HB ILE 12 7.467 -2.431 4.396
93 1HG1 ILE 12 2HG1 ILE 12 5.539 -4.759 4.704
94 2HG1 ILE 12 3HG1 ILE 12 6.918 -4.806 3.601
95 1HG2 ILE 12 3HG2 ILE 12 4.630 -2.515 5.488
96 2HG2 ILE 12 1HG2 ILE 12 6.099 -2.479 6.481
97 3HG2 ILE 12 2HG2 ILE 12 5.713 -1.104 5.471
98 1HD1 ILE 12 1HD1 ILE 12 7.142 -4.441 6.616
99 2HD1 ILE 12 2HD1 ILE 12 7.462 -5.915 5.691
100 3HD1 ILE 12 3HD1 ILE 12 8.485 -4.486 5.449
101 H TYR 13 HN TYR 13 3.291 -2.229 2.631
102 HA TYR 13 HA TYR 13 3.315 0.660 2.120
103 1HB TYR 13 2HB TYR 13 1.595 -0.669 1.048
104 2HB TYR 13 3HB TYR 13 1.080 -1.343 2.596
105 HD1 TYR 13 HD2 TYR 13 1.341 1.850 0.666
106 HD2 TYR 13 HD1 TYR 13 -0.670 -0.274 3.770
107 HE1 TYR 13 HE2 TYR 13 0.042 3.892 1.191
108 HE2 TYR 13 HE1 TYR 13 -1.904 1.823 4.422
109 HH TYR 13 HOH TYR 13 -2.438 4.141 3.747
110 H ASN 14 HN ASN 14 3.107 2.207 3.671
111 HA ASN 14 HA ASN 14 2.523 1.386 6.472
112 1HB ASN 14 2HB ASN 14 4.911 2.022 6.229
113 2HB ASN 14 3HB ASN 14 4.424 3.542 5.510
114 1HD2 ASN 14 2HND ASN 14 5.045 4.328 9.035
115 2HD2 ASN 14 1HND ASN 14 5.746 4.366 7.440
116 HA PRO 15 HA PRO 15 -0.829 4.105 5.389
117 1HB PRO 15 2HB PRO 15 -2.126 4.093 7.946
118 2HB PRO 15 3HB PRO 15 -2.451 2.992 6.603
119 1HG PRO 15 2HG PRO 15 -0.815 2.543 9.051
120 2HG PRO 15 3HG PRO 15 -1.658 1.356 8.004
121 1HD PRO 15 2HD PRO 15 1.043 1.815 8.120
122 2HD PRO 15 3HD PRO 15 0.239 0.971 6.784
123 H GLU 16 HN GLU 16 1.015 4.561 8.393
124 HA GLU 16 HA GLU 16 0.169 7.237 8.817
125 1HB GLU 16 2HB GLU 16 2.737 5.807 9.580
126 2HB GLU 16 3HB GLU 16 2.174 7.362 10.181
127 1HG GLU 16 2HG GLU 16 -0.043 6.070 10.807
128 2HG GLU 16 3HG GLU 16 0.927 4.601 10.593
129 H ASP 17 HN ASP 17 2.458 5.838 6.606
130 HA ASP 17 HA ASP 17 3.649 8.496 5.880
131 1HB ASP 17 2HB ASP 17 4.308 5.639 5.175
132 2HB ASP 17 3HB ASP 17 4.961 6.992 4.264
133 H GLY 18 HN GLY 18 1.416 5.998 4.770
134 1HA GLY 18 2HA GLY 18 0.094 5.794 2.992
135 2HA GLY 18 3HA GLY 18 0.266 7.512 2.627
136 H ASP 19 HN ASP 19 0.501 7.073 0.402
137 HA ASP 19 HA ASP 19 3.208 6.518 -0.483
138 1HB ASP 19 2HB ASP 19 1.145 4.479 -0.801
139 2HB ASP 19 3HB ASP 19 1.634 5.043 -2.375
140 HA PRO 20 HA PRO 20 0.403 9.946 -2.003
141 1HB PRO 20 2HB PRO 20 2.187 12.062 -1.723
142 2HB PRO 20 3HB PRO 20 1.037 11.494 -0.473
143 1HG PRO 20 2HG PRO 20 3.968 10.813 -0.769
144 2HG PRO 20 3HG PRO 20 3.082 11.236 0.724
145 1HD PRO 20 2HD PRO 20 3.636 8.670 0.107
146 2HD PRO 20 3HD PRO 20 2.052 9.100 0.814
147 H ASP 21 HN ASP 21 3.868 9.370 -2.816
148 HA ASP 21 HA ASP 21 4.080 10.662 -5.225
149 1HB ASP 21 2HB ASP 21 5.189 7.981 -4.253
150 2HB ASP 21 3HB ASP 21 5.822 8.902 -5.620
151 H ASN 22 HN ASN 22 2.326 7.779 -4.420
152 HA ASN 22 HA ASN 22 1.886 6.975 -7.245
153 1HB ASN 22 2HB ASN 22 1.008 5.515 -4.755
154 2HB ASN 22 3HB ASN 22 1.159 4.856 -6.379
155 1HD2 ASN 22 2HND ASN 22 4.217 4.986 -3.642
156 2HD2 ASN 22 1HND ASN 22 2.943 6.117 -3.599
157 H GLY 23 HN GLY 23 0.372 8.151 -4.367
158 1HA GLY 23 2HA GLY 23 -1.359 9.814 -5.086
159 2HA GLY 23 3HA GLY 23 -2.250 8.455 -5.782
160 H VAL 24 HN VAL 24 -0.673 7.655 -2.765
161 HA VAL 24 HA VAL 24 -3.334 7.756 -1.377
162 HB VAL 24 HB VAL 24 -0.921 5.959 -1.169
163 1HG1 VAL 24 1HG1 VAL 24 -3.364 6.087 0.629
164 2HG1 VAL 24 2HG1 VAL 24 -2.234 4.720 0.560
165 3HG1 VAL 24 3HG1 VAL 24 -1.670 6.294 1.137
166 1HG2 VAL 24 1HG2 VAL 24 -2.729 5.591 -2.956
167 2HG2 VAL 24 2HG2 VAL 24 -2.517 4.245 -1.812
168 3HG2 VAL 24 3HG2 VAL 24 -3.887 5.365 -1.645
169 H ASN 25 HN ASN 25 -3.500 9.405 -0.011
170 HA ASN 25 HA ASN 25 -1.245 10.981 0.830
171 1HB ASN 25 2HB ASN 25 -4.204 10.904 1.509
172 2HB ASN 25 3HB ASN 25 -3.105 11.877 2.478
173 1HD2 ASN 25 2HND ASN 25 -3.473 12.937 -1.501
174 2HD2 ASN 25 1HND ASN 25 -3.517 11.242 -1.084
175 HA PRO 26 HA PRO 26 -0.094 8.786 4.538
176 1HB PRO 26 2HB PRO 26 0.372 10.919 6.308
177 2HB PRO 26 3HB PRO 26 1.530 10.192 5.180
178 1HG PRO 26 2HG PRO 26 -0.057 12.717 4.878
179 2HG PRO 26 3HG PRO 26 1.574 12.324 4.245
180 1HD PRO 26 2HD PRO 26 -0.718 12.348 2.708
181 2HD PRO 26 3HD PRO 26 0.711 11.336 2.340
182 H GLY 27 HN GLY 27 -1.018 8.036 6.367
183 1HA GLY 27 2HA GLY 27 -2.563 7.727 8.032
184 2HA GLY 27 3HA GLY 27 -3.291 9.307 7.690
185 H THR 28 HN THR 28 -2.911 7.035 4.913
186 HA THR 28 HA THR 28 -5.856 6.798 4.921
187 HB THR 28 HB THR 28 -3.685 6.090 2.893
188 HG1 THR 28 HG1 THR 28 -3.930 8.284 2.966
189 1HG2 THR 28 3HG2 THR 28 -6.731 6.004 2.752
190 2HG2 THR 28 1HG2 THR 28 -5.662 5.918 1.329
191 3HG2 THR 28 2HG2 THR 28 -5.572 4.666 2.578
192 H ASP 29 HN ASP 29 -6.719 5.091 5.782
193 HA ASP 29 HA ASP 29 -5.346 2.767 6.690
194 1HB ASP 29 2HB ASP 29 -7.664 3.585 7.315
195 2HB ASP 29 3HB ASP 29 -8.233 2.955 5.788
196 H PHE 30 HN PHE 30 -4.871 0.953 5.637
197 HA PHE 30 HA PHE 30 -4.505 0.807 2.828
198 1HB PHE 30 2HB PHE 30 -3.541 -0.586 4.822
199 2HB PHE 30 3HB PHE 30 -5.032 -1.518 4.768
200 HD1 PHE 30 HD1 PHE 30 -2.558 -0.107 2.326
201 HD2 PHE 30 HD2 PHE 30 -4.890 -3.539 3.477
202 HE1 PHE 30 HE1 PHE 30 -1.420 -1.433 0.592
203 HE2 PHE 30 HE2 PHE 30 -3.615 -4.915 1.906
204 HZ PHE 30 HZ PHE 30 -1.906 -3.813 0.411
205 H LYS 31 HN LYS 31 -7.426 0.138 4.806
206 HA LYS 31 HA LYS 31 -8.618 -1.483 2.691
207 1HB LYS 31 2HB LYS 31 -10.571 -1.505 3.973
208 2HB LYS 31 3HB LYS 31 -9.188 -1.672 5.072
209 1HG LYS 31 2HG LYS 31 -9.347 0.907 5.332
210 2HG LYS 31 3HG LYS 31 -10.868 0.768 4.495
211 1HD LYS 31 2HD LYS 31 -11.664 -0.806 6.277
212 2HD LYS 31 3HD LYS 31 -10.061 -0.712 7.030
213 1HE LYS 31 2HE LYS 31 -11.717 0.752 8.215
214 2HE LYS 31 3HE LYS 31 -10.325 1.634 7.590
215 1HZ LYS 31 3HNZ LYS 31 -11.632 2.361 5.718
216 2HZ LYS 31 1HNZ LYS 31 -12.952 1.586 6.280
217 3HZ LYS 31 2HNZ LYS 31 -12.276 2.844 7.113
218 H ASP 32 HN ASP 32 -8.481 1.914 3.616
219 HA ASP 32 HA ASP 32 -10.658 2.800 1.904
220 1HB ASP 32 2HB ASP 32 -8.594 4.243 3.632
221 2HB ASP 32 3HB ASP 32 -9.863 5.062 2.744
222 H ILE 33 HN ILE 33 -7.252 2.117 1.433
223 HA ILE 33 HA ILE 33 -6.599 3.932 -0.527
224 HB ILE 33 HB ILE 33 -6.004 1.008 -0.227
225 1HG1 ILE 33 2HG1 ILE 33 -4.699 3.597 0.658
226 2HG1 ILE 33 3HG1 ILE 33 -5.255 2.332 1.680
227 1HG2 ILE 33 1HG2 ILE 33 -5.507 1.724 -2.496
228 2HG2 ILE 33 2HG2 ILE 33 -4.376 2.917 -1.792
229 3HG2 ILE 33 3HG2 ILE 33 -4.146 1.163 -1.526
230 1HD1 ILE 33 2HD1 ILE 33 -3.484 0.832 0.550
231 2HD1 ILE 33 3HD1 ILE 33 -2.771 2.347 -0.060
232 3HD1 ILE 33 1HD1 ILE 33 -2.945 2.087 1.680
233 HA PRO 34 HA PRO 34 -9.679 2.758 -3.608
234 1HB PRO 34 2HB PRO 34 -8.289 3.823 -5.844
235 2HB PRO 34 3HB PRO 34 -9.485 4.653 -4.828
236 1HG PRO 34 2HG PRO 34 -6.564 5.032 -4.934
237 2HG PRO 34 3HG PRO 34 -7.783 6.041 -4.110
238 1HD PRO 34 2HD PRO 34 -5.982 4.084 -2.955
239 2HD PRO 34 3HD PRO 34 -7.124 5.129 -2.102
240 H ASP 35 HN ASP 35 -9.897 0.948 -4.952
241 HA ASP 35 HA ASP 35 -7.795 -0.958 -5.021
242 1HB ASP 35 2HB ASP 35 -10.631 -0.716 -5.843
243 2HB ASP 35 3HB ASP 35 -9.700 -1.524 -7.078
244 H ASP 36 HN ASP 36 -8.382 1.809 -6.957
245 HA ASP 36 HA ASP 36 -7.134 0.980 -9.406
246 1HB ASP 36 2HB ASP 36 -8.543 3.227 -8.423
247 2HB ASP 36 3HB ASP 36 -7.013 3.748 -9.142
248 H TRP 37 HN TRP 37 -5.936 1.784 -6.276
249 HA TRP 37 HA TRP 37 -3.492 3.103 -7.095
250 1HB TRP 37 2HB TRP 37 -4.443 3.490 -4.909
251 2HB TRP 37 3HB TRP 37 -4.380 1.769 -4.543
252 HD1 TRP 37 HD TRP 37 -1.889 4.677 -5.004
253 HE1 TRP 37 HNE TRP 37 0.185 4.156 -3.562
254 HE3 TRP 37 HE TRP 37 -3.034 -0.049 -3.658
255 HZ2 TRP 37 HZ1 TRP 37 1.233 1.925 -2.052
256 HZ3 TRP 37 HZ2 TRP 37 -1.464 -1.423 -2.246
257 HH2 TRP 37 HH TRP 37 0.656 -0.415 -1.432
258 H VAL 38 HN VAL 38 -1.333 2.208 -6.667
259 HA VAL 38 HA VAL 38 -1.030 -0.646 -7.348
260 HB VAL 38 HB VAL 38 0.612 0.169 -9.045
261 1HG1 VAL 38 3HG1 VAL 38 -1.742 -0.569 -9.610
262 2HG1 VAL 38 1HG1 VAL 38 -2.233 1.131 -9.603
263 3HG1 VAL 38 2HG1 VAL 38 -1.043 0.566 -10.786
264 1HG2 VAL 38 3HG2 VAL 38 0.936 2.504 -8.241
265 2HG2 VAL 38 1HG2 VAL 38 0.485 2.425 -9.950
266 3HG2 VAL 38 2HG2 VAL 38 -0.723 2.895 -8.747
267 H CYS 39 HN CYN 39 1.052 -1.452 -6.876
268 HA CYS 39 HA CYN 39 2.169 -0.411 -4.441
269 1HB CYS 39 2HB CYN 39 1.870 -2.718 -4.780
270 2HB CYS 39 3HB CYN 39 2.781 -2.732 -6.281
271 HA PRO 40 HA PRO 40 5.144 2.207 -6.540
272 1HB PRO 40 2HB PRO 40 7.063 2.514 -4.572
273 2HB PRO 40 3HB PRO 40 5.480 3.334 -4.544
274 1HG PRO 40 2HG PRO 40 6.256 0.775 -3.131
275 2HG PRO 40 3HG PRO 40 5.398 2.192 -2.451
276 1HD PRO 40 2HD PRO 40 4.063 -0.004 -3.273
277 2HD PRO 40 3HD PRO 40 3.395 1.626 -3.594
278 H LEU 41 HN LEU 41 6.679 1.630 -8.006
279 HA LEU 41 HA LEU 41 8.302 0.455 -9.104
280 1HB LEU 41 2HB LEU 41 9.368 -0.109 -6.318
281 2HB LEU 41 3HB LEU 41 10.284 -0.181 -7.827
282 HG LEU 41 HG LEU 41 9.095 2.311 -6.520
283 1HD1 LEU 41 2HD1 LEU 41 11.020 1.326 -5.328
284 2HD1 LEU 41 3HD1 LEU 41 11.970 1.344 -6.827
285 3HD1 LEU 41 1HD1 LEU 41 11.452 2.871 -6.081
286 1HD2 LEU 41 1HD2 LEU 41 10.791 2.004 -9.043
287 2HD2 LEU 41 2HD2 LEU 41 9.124 2.620 -8.955
288 3HD2 LEU 41 3HD2 LEU 41 10.444 3.545 -8.229
289 H CYS 42 HN CYN 42 6.036 -0.914 -9.042
290 HA CYS 42 HA CYN 42 6.694 -3.715 -9.178
291 1HB CYS 42 2HB CYN 42 6.312 -3.382 -6.768
292 2HB CYS 42 3HB CYN 42 4.792 -2.572 -7.131
293 H GLY 43 HN GLY 43 4.169 -4.641 -9.580
294 1HA GLY 43 2HA GLY 43 3.192 -3.119 -11.916
295 2HA GLY 43 3HA GLY 43 2.723 -4.748 -11.421
296 H VAL 44 HN VAL 44 0.934 -5.021 -9.996
297 HA VAL 44 HA VAL 44 -0.386 -2.650 -8.889
298 HB VAL 44 HB VAL 44 -2.487 -3.030 -9.920
299 1HG1 VAL 44 2HG1 VAL 44 -0.806 -1.775 -11.344
300 2HG1 VAL 44 3HG1 VAL 44 -0.542 -3.277 -12.248
301 3HG1 VAL 44 1HG1 VAL 44 -2.143 -2.516 -12.233
302 1HG2 VAL 44 1HG2 VAL 44 -1.325 -5.493 -11.284
303 2HG2 VAL 44 2HG2 VAL 44 -2.601 -5.463 -10.046
304 3HG2 VAL 44 3HG2 VAL 44 -2.910 -4.775 -11.638
305 H GLY 45 HN GLY 45 -2.054 -3.273 -7.334
306 1HA GLY 45 2HA GLY 45 -3.164 -5.495 -6.531
307 2HA GLY 45 3HA GLY 45 -1.504 -5.882 -6.032
308 H LYS 46 HN LYS 46 -3.916 -5.400 -4.344
309 HA LYS 46 HA LYS 46 -2.526 -4.061 -2.293
310 1HB LYS 46 2HB LYS 46 -3.968 -2.254 -1.823
311 2HB LYS 46 3HB LYS 46 -3.521 -2.108 -3.519
312 1HG LYS 46 2HG LYS 46 -5.620 -2.491 -4.336
313 2HG LYS 46 3HG LYS 46 -6.126 -3.501 -2.986
314 1HD LYS 46 2HD LYS 46 -5.973 -0.497 -2.993
315 2HD LYS 46 3HD LYS 46 -7.395 -1.557 -2.982
316 1HE LYS 46 2HE LYS 46 -6.161 -2.548 -0.789
317 2HE LYS 46 3HE LYS 46 -5.490 -0.953 -0.743
318 1HZ LYS 46 2HNZ LYS 46 -7.912 -0.163 -0.911
319 2HZ LYS 46 3HNZ LYS 46 -8.348 -1.727 -0.621
320 3HZ LYS 46 1HNZ LYS 46 -7.449 -0.889 0.487
321 H ASP 47 HN ASP 47 -4.291 -3.947 -0.382
322 HA ASP 47 HA ASP 47 -5.790 -4.829 0.976
323 1HB ASP 47 2HB ASP 47 -7.253 -4.488 -1.133
324 2HB ASP 47 3HB ASP 47 -7.225 -6.241 -1.282
325 H GLN 48 HN GLN 48 -5.311 -7.383 -1.432
326 HA GLN 48 HA GLN 48 -5.268 -9.640 0.262
327 1HB GLN 48 2HB GLN 48 -5.643 -9.685 -2.123
328 2HB GLN 48 3HB GLN 48 -4.000 -9.119 -2.467
329 1HG GLN 48 2HG GLN 48 -3.004 -11.141 -1.777
330 2HG GLN 48 3HG GLN 48 -4.439 -11.663 -0.877
331 1HE2 GLN 48 2HNE GLN 48 -4.291 -13.700 -3.974
332 2HE2 GLN 48 1HNE GLN 48 -3.210 -13.436 -2.613
333 H PHE 49 HN PHE 49 -2.837 -7.246 -0.275
334 HA PHE 49 HA PHE 49 -0.371 -8.398 0.413
335 1HB PHE 49 2HB PHE 49 -1.756 -5.826 1.184
336 2HB PHE 49 3HB PHE 49 -0.138 -6.005 1.545
337 HD1 PHE 49 HD1 PHE 49 -1.017 -7.488 -1.738
338 HD2 PHE 49 HD2 PHE 49 0.509 -4.006 0.328
339 HE1 PHE 49 HE1 PHE 49 -0.226 -6.568 -3.854
340 HE2 PHE 49 HE2 PHE 49 1.324 -3.119 -1.840
341 HZ PHE 49 HZ PHE 49 0.999 -4.449 -3.913
342 H GLU 50 HN GLU 50 0.642 -8.953 2.487
343 HA GLU 50 HA GLU 50 -1.313 -9.894 4.451
344 1HB GLU 50 2HB GLU 50 1.732 -9.794 4.566
345 2HB GLU 50 3HB GLU 50 0.676 -10.633 5.694
346 1HG GLU 50 2HG GLU 50 1.061 -12.420 4.308
347 2HG GLU 50 3HG GLU 50 -0.191 -11.669 3.307
348 H GLU 51 HN GLU 51 -1.284 -9.168 6.794
349 HA GLU 51 HA GLU 51 -0.844 -6.276 7.013
350 1HB GLU 51 2HB GLU 51 -2.934 -7.213 7.857
351 2HB GLU 51 3HB GLU 51 -2.054 -8.427 8.818
352 1HG GLU 51 2HG GLU 51 -1.136 -6.877 10.223
353 2HG GLU 51 3HG GLU 51 -1.577 -5.471 9.217
354 H VAL 52 HN VAL 52 0.888 -5.430 8.136
355 HA VAL 52 HA VAL 52 2.945 -7.242 9.221
356 HB VAL 52 HB VAL 52 2.858 -4.411 8.105
357 1HG1 VAL 52 2HG1 VAL 52 5.044 -5.621 9.858
358 2HG1 VAL 52 3HG1 VAL 52 5.179 -4.110 8.920
359 3HG1 VAL 52 1HG1 VAL 52 4.015 -4.224 10.248
360 1HG2 VAL 52 1HG2 VAL 52 3.274 -6.213 6.583
361 2HG2 VAL 52 2HG2 VAL 52 4.711 -5.193 6.789
362 3HG2 VAL 52 3HG2 VAL 52 4.643 -6.791 7.570
363 H GLU 53 HN GLU 53 2.602 -7.644 11.290
364 HA GLU 53 HA GLU 53 0.887 -6.260 13.008
365 1HB GLU 53 2HB GLU 53 1.712 -7.848 14.635
366 2HB GLU 53 3HB GLU 53 1.193 -8.596 13.122
367 1HG GLU 53 2HG GLU 53 3.651 -8.816 12.469
368 2HG GLU 53 3HG GLU 53 4.067 -8.193 14.065
369 H GLU 54 HN GLU 54 2.163 -4.231 12.395
370 HA GLU 54 HA GLU 54 3.702 -3.361 14.824
371 1HB GLU 54 2HB GLU 54 3.220 -1.845 12.230
372 2HB GLU 54 3HB GLU 54 4.066 -1.248 13.661
373 1HG GLU 54 2HG GLU 54 5.348 -3.721 12.975
374 2HG GLU 54 3HG GLU 54 5.131 -2.824 11.470
No H/Q in entry = 374