NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
8142 |
1loi   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1H MET 1 -14.890 4.137 8.039
2 2H MET 1 3H MET 1 -13.658 5.291 7.874
3 3H MET 1 2H MET 1 -15.156 5.533 7.108
4 HA MET 1 HA MET 1 -14.778 3.880 5.532
5 1HB MET 1 2HB MET 1 -11.968 4.848 5.852
6 2HB MET 1 1HB MET 1 -12.951 4.728 4.395
7 1HG MET 1 2HG MET 1 -14.204 6.674 4.950
8 2HG MET 1 1HG MET 1 -13.612 6.675 6.611
9 1HE MET 1 3HE MET 1 -11.304 5.608 3.809
10 2HE MET 1 2HE MET 1 -12.367 6.666 2.886
11 3HE MET 1 1HE MET 1 -10.676 7.108 3.113
12 HA PRO 2 HA PRO 2 -12.886 0.478 7.849
13 1HB PRO 2 2HB PRO 2 -14.753 -1.359 7.038
14 2HB PRO 2 1HB PRO 2 -14.984 -0.275 8.420
15 1HG PRO 2 2HG PRO 2 -16.253 -0.167 5.736
16 2HG PRO 2 1HG PRO 2 -16.818 0.511 7.272
17 1HD PRO 2 2HD PRO 2 -15.530 1.923 5.143
18 2HD PRO 2 1HD PRO 2 -15.944 2.567 6.744
19 H LEU 3 HN LEU 3 -14.511 -0.491 4.830
20 HA LEU 3 HA LEU 3 -12.339 -2.183 4.013
21 1HB LEU 3 2HB LEU 3 -14.869 -1.174 2.788
22 2HB LEU 3 1HB LEU 3 -13.657 -1.895 1.728
23 HG LEU 3 HG LEU 3 -13.833 -3.580 3.993
24 1HD1 LEU 3 2HD1 LEU 3 -16.527 -2.709 2.915
25 2HD1 LEU 3 1HD1 LEU 3 -16.279 -4.200 3.823
26 3HD1 LEU 3 3HD1 LEU 3 -15.973 -2.641 4.588
27 1HD2 LEU 3 3HD2 LEU 3 -14.202 -3.656 1.095
28 2HD2 LEU 3 2HD2 LEU 3 -13.511 -4.874 2.166
29 3HD2 LEU 3 1HD2 LEU 3 -15.257 -4.797 1.930
30 H VAL 4 HN VAL 4 -13.159 1.180 3.372
31 HA VAL 4 HA VAL 4 -11.371 1.537 1.147
32 HB VAL 4 HB VAL 4 -12.071 3.702 3.128
33 1HG1 VAL 4 3HG1 VAL 4 -10.905 3.533 0.484
34 2HG1 VAL 4 2HG1 VAL 4 -12.379 4.500 0.443
35 3HG1 VAL 4 1HG1 VAL 4 -11.066 4.940 1.536
36 1HG2 VAL 4 2HG2 VAL 4 -13.920 1.989 1.811
37 2HG2 VAL 4 1HG2 VAL 4 -14.272 3.475 2.694
38 3HG2 VAL 4 3HG2 VAL 4 -13.955 3.533 0.960
39 H ASP 5 HN ASP 5 -10.849 1.164 4.528
40 HA ASP 5 HA ASP 5 -8.300 2.584 4.606
41 1HB ASP 5 2HB ASP 5 -9.496 2.358 6.685
42 2HB ASP 5 1HB ASP 5 -9.618 0.609 6.488
43 H PHE 6 HN PHE 6 -9.324 -0.814 4.347
44 HA PHE 6 HA PHE 6 -6.564 -1.763 4.150
45 1HB PHE 6 2HB PHE 6 -8.817 -2.987 4.939
46 2HB PHE 6 1HB PHE 6 -8.850 -3.448 3.237
47 HD1 PHE 6 HD1 PHE 6 -6.114 -2.998 5.773
48 HD2 PHE 6 HD2 PHE 6 -8.004 -5.591 2.917
49 HE1 PHE 6 HE1 PHE 6 -4.396 -4.731 6.209
50 HE2 PHE 6 HE2 PHE 6 -6.285 -7.324 3.354
51 HZ PHE 6 HZ PHE 6 -4.482 -6.894 5.000
52 H PHE 7 HN PHE 7 -8.976 -0.567 1.985
53 HA PHE 7 HA PHE 7 -8.132 -1.891 -0.413
54 1HB PHE 7 2HB PHE 7 -10.009 0.144 0.316
55 2HB PHE 7 1HB PHE 7 -9.043 0.743 -1.035
56 HD1 PHE 7 HD1 PHE 7 -8.625 -1.009 -2.980
57 HD2 PHE 7 HD2 PHE 7 -11.832 -1.236 -0.132
58 HE1 PHE 7 HE1 PHE 7 -9.899 -2.467 -4.531
59 HE2 PHE 7 HE2 PHE 7 -13.106 -2.692 -1.683
60 HZ PHE 7 HZ PHE 7 -12.141 -3.308 -3.882
61 H CYS 8 HN CYS 8 -7.375 1.429 0.742
62 HA CYS 8 HA CYS 8 -5.342 1.864 -1.246
63 1HB CYS 8 2HB CYS 8 -6.604 3.422 0.672
64 2HB CYS 8 1HB CYS 8 -4.948 3.312 1.271
65 HG CYS 8 HG CYS 8 -5.717 4.457 -1.536
66 H GLU 9 HN GLU 9 -5.348 0.294 1.879
67 HA GLU 9 HA GLU 9 -2.694 0.367 2.672
68 1HB GLU 9 2HB GLU 9 -4.871 -1.166 3.342
69 2HB GLU 9 1HB GLU 9 -3.803 -2.366 2.613
70 1HG GLU 9 2HG GLU 9 -2.927 -2.427 4.724
71 2HG GLU 9 1HG GLU 9 -2.010 -1.043 4.129
72 H THR 10 HN THR 10 -4.043 -2.052 0.402
73 HA THR 10 HA THR 10 -1.484 -1.955 -1.098
74 HB THR 10 HB THR 10 -1.253 -3.810 0.527
75 HG1 THR 10 HG1 THR 10 -0.925 -5.453 -1.076
76 1HG2 THR 10 2HG2 THR 10 -3.977 -4.144 0.062
77 2HG2 THR 10 1HG2 THR 10 -3.239 -5.543 -0.718
78 3HG2 THR 10 3HG2 THR 10 -2.942 -5.228 0.992
79 H CYS 11 HN CYS 11 -2.776 -0.927 -2.759
80 HA CYS 11 HA CYS 11 -4.325 -2.882 -4.357
81 1HB CYS 11 2HB CYS 11 -5.402 -0.450 -3.064
82 2HB CYS 11 1HB CYS 11 -5.972 -0.849 -4.676
83 HG CYS 11 HG CYS 11 -6.779 -2.303 -2.158
84 H SER 12 HN SER 12 -4.830 0.448 -5.064
85 HA SER 12 HA SER 12 -3.593 0.168 -7.657
86 1HB SER 12 2HB SER 12 -4.901 2.463 -6.204
87 2HB SER 12 1HB SER 12 -4.225 2.629 -7.821
88 HG SER 12 HG SER 12 -6.587 1.663 -7.122
89 H LYS 13 HN LYS 13 -1.844 0.278 -5.041
90 HA LYS 13 HA LYS 13 -0.156 2.512 -6.098
91 1HB LYS 13 2HB LYS 13 0.596 3.058 -3.984
92 2HB LYS 13 1HB LYS 13 -1.093 2.688 -3.716
93 1HG LYS 13 2HG LYS 13 1.232 0.820 -3.185
94 2HG LYS 13 1HG LYS 13 0.357 1.735 -1.974
95 1HD LYS 13 2HD LYS 13 -0.868 -0.163 -1.802
96 2HD LYS 13 1HD LYS 13 -1.695 0.489 -3.220
97 1HE LYS 13 2HE LYS 13 -0.969 -1.228 -4.454
98 2HE LYS 13 1HE LYS 13 0.694 -0.787 -4.084
99 1HZ LYS 13 2HZ LYS 13 0.198 -1.967 -1.858
100 2HZ LYS 13 1HZ LYS 13 -1.039 -2.733 -2.736
101 3HZ LYS 13 3HZ LYS 13 0.572 -2.893 -3.231
102 HA PRO 14 HA PRO 14 2.333 -1.500 -6.498
103 1HB PRO 14 2HB PRO 14 2.145 -1.718 -9.232
104 2HB PRO 14 1HB PRO 14 1.057 -2.552 -8.107
105 1HG PRO 14 2HG PRO 14 0.546 -0.105 -9.759
106 2HG PRO 14 1HG PRO 14 -0.584 -1.374 -9.252
107 1HD PRO 14 2HD PRO 14 -0.410 1.136 -8.045
108 2HD PRO 14 1HD PRO 14 -1.074 -0.318 -7.268
109 H TRP 15 HN TRP 15 2.261 1.714 -7.403
110 HA TRP 15 HA TRP 15 4.869 1.639 -8.818
111 1HB TRP 15 2HB TRP 15 4.141 4.322 -8.329
112 2HB TRP 15 1HB TRP 15 4.045 3.464 -9.857
113 HD1 TRP 15 HD1 TRP 15 1.924 4.806 -7.036
114 HE1 TRP 15 HE1 TRP 15 -0.569 4.456 -7.622
115 HE3 TRP 15 HE3 TRP 15 2.421 1.820 -11.110
116 HZ2 TRP 15 HZ2 TRP 15 -2.143 3.070 -9.587
117 HZ3 TRP 15 HZ3 TRP 15 0.424 0.986 -12.335
118 HH2 TRP 15 HH2 TRP 15 -1.856 1.608 -11.576
119 H LEU 16 HN LEU 16 3.410 2.351 -5.754
120 HA LEU 16 HA LEU 16 5.655 3.812 -4.640
121 1HB LEU 16 2HB LEU 16 3.612 2.266 -3.064
122 2HB LEU 16 1HB LEU 16 4.474 3.717 -2.591
123 HG LEU 16 HG LEU 16 2.296 3.481 -4.670
124 1HD1 LEU 16 3HD1 LEU 16 2.573 5.064 -2.095
125 2HD1 LEU 16 2HD1 LEU 16 1.204 5.166 -3.202
126 3HD1 LEU 16 1HD1 LEU 16 1.535 3.661 -2.344
127 1HD2 LEU 16 2HD2 LEU 16 4.491 5.421 -4.351
128 2HD2 LEU 16 1HD2 LEU 16 3.452 5.118 -5.744
129 3HD2 LEU 16 3HD2 LEU 16 2.889 6.155 -4.433
130 H VAL 17 HN VAL 17 4.790 0.493 -5.018
131 HA VAL 17 HA VAL 17 6.325 -0.674 -2.962
132 HB VAL 17 HB VAL 17 4.776 -1.990 -4.343
133 1HG1 VAL 17 2HG1 VAL 17 6.156 -0.712 -6.463
134 2HG1 VAL 17 1HG1 VAL 17 6.474 -2.439 -6.626
135 3HG1 VAL 17 3HG1 VAL 17 4.812 -1.848 -6.587
136 1HG2 VAL 17 2HG2 VAL 17 7.240 -2.808 -3.414
137 2HG2 VAL 17 1HG2 VAL 17 5.990 -3.887 -4.033
138 3HG2 VAL 17 3HG2 VAL 17 7.285 -3.335 -5.096
139 H GLY 18 HN GLY 18 7.324 1.054 -5.716
140 1HA GLY 18 2HA GLY 18 9.882 -0.171 -6.160
141 2HA GLY 18 1HA GLY 18 9.448 1.474 -6.633
142 H TRP 19 HN TRP 19 8.995 2.775 -4.258
143 HA TRP 19 HA TRP 19 11.701 2.670 -3.119
144 1HB TRP 19 2HB TRP 19 10.888 4.657 -1.733
145 2HB TRP 19 1HB TRP 19 11.067 4.896 -3.460
146 HD1 TRP 19 HD1 TRP 19 9.104 5.960 -4.629
147 HE1 TRP 19 HE1 TRP 19 6.645 6.437 -4.020
148 HE3 TRP 19 HE3 TRP 19 8.783 3.411 -0.225
149 HZ2 TRP 19 HZ2 TRP 19 4.791 5.821 -1.935
150 HZ3 TRP 19 HZ3 TRP 19 6.661 3.357 1.040
151 HH2 TRP 19 HH2 TRP 19 4.666 4.567 0.202
152 H TRP 20 HN TRP 20 9.410 0.665 -2.627
153 HA TRP 20 HA TRP 20 9.197 0.788 0.326
154 1HB TRP 20 2HB TRP 20 8.015 -0.892 -1.847
155 2HB TRP 20 1HB TRP 20 8.177 -1.613 -0.249
156 HD1 TRP 20 HD1 TRP 20 7.690 1.720 0.658
157 HE1 TRP 20 HE1 TRP 20 5.212 2.322 1.004
158 HE3 TRP 20 HE3 TRP 20 5.518 -2.166 -1.696
159 HZ2 TRP 20 HZ2 TRP 20 2.626 1.280 0.369
160 HZ3 TRP 20 HZ3 TRP 20 3.048 -2.383 -1.836
161 HH2 TRP 20 HH2 TRP 20 1.596 -0.655 -0.802
162 H ASP 21 HN ASP 21 10.757 -0.988 -2.269
163 HA ASP 21 HA ASP 21 11.892 -3.161 -0.975
164 1HB ASP 21 2HB ASP 21 12.374 -2.969 -3.272
165 2HB ASP 21 1HB ASP 21 12.956 -1.313 -3.109
166 H GLN 22 HN GLN 22 13.285 0.142 -1.072
167 HA GLN 22 HA GLN 22 15.465 -0.467 0.688
168 1HB GLN 22 2HB GLN 22 15.787 1.923 0.836
169 2HB GLN 22 1HB GLN 22 15.302 1.549 -0.818
170 1HG GLN 22 2HG GLN 22 13.039 2.252 -0.398
171 2HG GLN 22 1HG GLN 22 13.346 2.392 1.334
172 1HE2 GLN 22 2HE2 GLN 22 13.700 5.750 -0.490
173 2HE2 GLN 22 1HE2 GLN 22 12.505 4.539 -0.623
174 H PHE 23 HN PHE 23 12.130 0.504 1.269
175 HA PHE 23 HA PHE 23 12.338 1.305 3.978
176 1HB PHE 23 2HB PHE 23 10.239 1.656 2.911
177 2HB PHE 23 1HB PHE 23 10.115 -0.036 2.430
178 HD1 PHE 23 HD1 PHE 23 9.595 -1.789 4.078
179 HD2 PHE 23 HD2 PHE 23 9.700 2.361 5.180
180 HE1 PHE 23 HE1 PHE 23 8.433 -2.327 6.200
181 HE2 PHE 23 HE2 PHE 23 8.536 1.825 7.302
182 HZ PHE 23 HZ PHE 23 7.900 -0.517 7.813
183 H LYS 24 HN LYS 24 12.932 -1.786 2.628
184 HA LYS 24 HA LYS 24 12.015 -3.577 4.536
185 1HB LYS 24 2HB LYS 24 14.145 -4.895 4.054
186 2HB LYS 24 1HB LYS 24 13.145 -4.481 2.662
187 1HG LYS 24 2HG LYS 24 14.985 -3.542 1.761
188 2HG LYS 24 1HG LYS 24 14.832 -2.277 2.984
189 1HD LYS 24 2HD LYS 24 16.888 -2.970 3.642
190 2HD LYS 24 1HD LYS 24 16.004 -4.279 4.426
191 1HE LYS 24 2HE LYS 24 17.782 -5.254 3.088
192 2HE LYS 24 1HE LYS 24 16.241 -5.615 2.312
193 1HZ LYS 24 2HZ LYS 24 17.360 -3.117 1.465
194 2HZ LYS 24 1HZ LYS 24 18.378 -4.433 1.124
195 3HZ LYS 24 3HZ LYS 24 16.788 -4.418 0.535
196 H ARG 25 HN ARG 25 14.293 -1.070 5.058
197 HA ARG 25 HA ARG 25 15.150 -2.331 7.618
198 1HB ARG 25 2HB ARG 25 16.234 0.298 6.659
199 2HB ARG 25 1HB ARG 25 17.028 -0.951 7.614
200 1HG ARG 25 2HG ARG 25 17.791 -2.019 5.774
201 2HG ARG 25 1HG ARG 25 16.241 -1.884 4.950
202 1HD ARG 25 2HD ARG 25 18.367 0.259 5.164
203 2HD ARG 25 1HD ARG 25 17.874 -0.597 3.704
204 HE ARG 25 HE ARG 25 15.628 0.751 4.924
205 1HH1 ARG 25 1HH2 ARG 25 18.484 1.159 3.027
206 2HH1 ARG 25 2HH2 ARG 25 17.899 2.572 2.215
207 1HH2 ARG 25 1HH1 ARG 25 14.853 2.591 3.870
208 2HH2 ARG 25 2HH1 ARG 25 15.844 3.379 2.688
209 1HN NH2 26 1H ARG 25 14.525 1.088 6.677
210 2HN NH2 26 2H ARG 25 13.516 1.427 8.010
No H/Q in entry = 210
Start of MODEL 2
1 1H MET 1 3H MET 1 -0.709 -10.147 11.223
2 2H MET 1 2H MET 1 -1.597 -10.341 12.658
3 3H MET 1 1H MET 1 -0.143 -11.191 12.433
4 HA MET 1 HA MET 1 -1.554 -12.856 11.892
5 1HB MET 1 2HB MET 1 -3.395 -10.573 11.268
6 2HB MET 1 1HB MET 1 -3.741 -12.158 10.573
7 1HG MET 1 2HG MET 1 -3.305 -12.981 13.051
8 2HG MET 1 1HG MET 1 -3.714 -11.312 13.448
9 1HE MET 1 3HE MET 1 -4.502 -14.453 13.331
10 2HE MET 1 2HE MET 1 -6.034 -14.165 14.151
11 3HE MET 1 1HE MET 1 -6.028 -14.834 12.521
12 HA PRO 2 HA PRO 2 -0.083 -13.283 7.781
13 1HB PRO 2 2HB PRO 2 -1.417 -15.579 7.079
14 2HB PRO 2 1HB PRO 2 -0.029 -15.549 8.178
15 1HG PRO 2 2HG PRO 2 -2.919 -15.913 8.817
16 2HG PRO 2 1HG PRO 2 -1.494 -16.483 9.702
17 1HD PRO 2 2HD PRO 2 -3.077 -14.240 10.385
18 2HD PRO 2 1HD PRO 2 -1.474 -14.624 11.044
19 H LEU 3 HN LEU 3 -3.603 -13.684 8.163
20 HA LEU 3 HA LEU 3 -4.262 -13.247 5.412
21 1HB LEU 3 2HB LEU 3 -5.709 -13.285 8.005
22 2HB LEU 3 1HB LEU 3 -6.482 -12.389 6.698
23 HG LEU 3 HG LEU 3 -5.370 -15.035 5.957
24 1HD1 LEU 3 3HD1 LEU 3 -6.640 -15.064 8.326
25 2HD1 LEU 3 2HD1 LEU 3 -8.049 -15.096 7.264
26 3HD1 LEU 3 1HD1 LEU 3 -6.826 -16.362 7.145
27 1HD2 LEU 3 1HD2 LEU 3 -7.085 -13.129 4.871
28 2HD2 LEU 3 3HD2 LEU 3 -6.844 -14.767 4.265
29 3HD2 LEU 3 2HD2 LEU 3 -8.168 -14.425 5.379
30 H VAL 4 HN VAL 4 -3.335 -11.118 7.975
31 HA VAL 4 HA VAL 4 -4.452 -8.714 6.730
32 HB VAL 4 HB VAL 4 -2.282 -8.800 8.834
33 1HG1 VAL 4 2HG1 VAL 4 -3.774 -6.754 7.533
34 2HG1 VAL 4 1HG1 VAL 4 -4.338 -6.832 9.203
35 3HG1 VAL 4 3HG1 VAL 4 -2.627 -6.578 8.860
36 1HG2 VAL 4 1HG2 VAL 4 -5.285 -9.040 9.229
37 2HG2 VAL 4 3HG2 VAL 4 -4.104 -10.314 9.536
38 3HG2 VAL 4 2HG2 VAL 4 -4.095 -8.849 10.517
39 H ASP 5 HN ASP 5 -1.575 -10.616 6.491
40 HA ASP 5 HA ASP 5 0.189 -8.568 5.481
41 1HB ASP 5 2HB ASP 5 0.918 -10.831 6.329
42 2HB ASP 5 1HB ASP 5 0.257 -11.534 4.853
43 H PHE 6 HN PHE 6 -2.284 -10.604 4.048
44 HA PHE 6 HA PHE 6 -1.533 -10.023 1.295
45 1HB PHE 6 2HB PHE 6 -3.153 -11.892 2.488
46 2HB PHE 6 1HB PHE 6 -4.337 -10.766 1.822
47 HD1 PHE 6 HD1 PHE 6 -4.274 -10.193 -0.624
48 HD2 PHE 6 HD2 PHE 6 -1.848 -13.307 1.070
49 HE1 PHE 6 HE1 PHE 6 -3.887 -11.125 -2.889
50 HE2 PHE 6 HE2 PHE 6 -1.461 -14.238 -1.195
51 HZ PHE 6 HZ PHE 6 -2.482 -13.148 -3.176
52 H PHE 7 HN PHE 7 -3.414 -8.444 3.751
53 HA PHE 7 HA PHE 7 -4.937 -6.782 1.895
54 1HB PHE 7 2HB PHE 7 -5.589 -7.405 4.308
55 2HB PHE 7 1HB PHE 7 -4.427 -6.178 4.812
56 HD1 PHE 7 HD2 PHE 7 -4.752 -3.800 4.185
57 HD2 PHE 7 HD1 PHE 7 -7.686 -6.803 3.273
58 HE1 PHE 7 HE2 PHE 7 -6.432 -2.028 3.754
59 HE2 PHE 7 HE1 PHE 7 -9.366 -5.031 2.841
60 HZ PHE 7 HZ PHE 7 -8.739 -2.643 3.082
61 H CYS 8 HN CYS 8 -1.778 -6.724 3.266
62 HA CYS 8 HA CYS 8 -1.441 -3.819 2.884
63 1HB CYS 8 2HB CYS 8 -0.105 -5.866 4.373
64 2HB CYS 8 1HB CYS 8 1.062 -5.144 3.265
65 HG CYS 8 HG CYS 8 1.011 -3.638 5.395
66 H GLU 9 HN GLU 9 -0.924 -6.773 1.129
67 HA GLU 9 HA GLU 9 0.971 -5.554 -0.760
68 1HB GLU 9 2HB GLU 9 -0.439 -8.023 -1.574
69 2HB GLU 9 1HB GLU 9 1.287 -7.669 -1.562
70 1HG GLU 9 2HG GLU 9 1.057 -7.799 1.028
71 2HG GLU 9 1HG GLU 9 -0.450 -8.650 0.688
72 H THR 10 HN THR 10 -2.449 -5.892 -0.377
73 HA THR 10 HA THR 10 -2.877 -5.035 -3.190
74 HB THR 10 HB THR 10 -5.362 -5.496 -2.068
75 HG1 THR 10 HG1 THR 10 -4.457 -6.411 -0.240
76 1HG2 THR 10 1HG2 THR 10 -3.993 -6.274 -4.224
77 2HG2 THR 10 3HG2 THR 10 -3.890 -7.767 -3.293
78 3HG2 THR 10 2HG2 THR 10 -5.468 -7.094 -3.709
79 H CYS 11 HN CYS 11 -1.901 -3.316 -1.101
80 HA CYS 11 HA CYS 11 -3.950 -1.642 -0.026
81 1HB CYS 11 2HB CYS 11 -1.026 -1.236 -0.621
82 2HB CYS 11 1HB CYS 11 -2.020 0.076 0.005
83 HG CYS 11 HG CYS 11 -2.629 -1.684 2.018
84 H SER 12 HN SER 12 -1.960 0.429 -1.804
85 HA SER 12 HA SER 12 -3.688 0.530 -4.182
86 1HB SER 12 2HB SER 12 -3.685 2.673 -2.054
87 2HB SER 12 1HB SER 12 -4.157 3.008 -3.718
88 HG SER 12 HG SER 12 -5.278 1.002 -2.042
89 H LYS 13 HN LYS 13 -0.680 0.551 -3.092
90 HA LYS 13 HA LYS 13 0.205 2.569 -5.112
91 1HB LYS 13 2HB LYS 13 1.526 1.905 -2.466
92 2HB LYS 13 1HB LYS 13 2.234 2.921 -3.714
93 1HG LYS 13 2HG LYS 13 1.137 4.682 -2.888
94 2HG LYS 13 1HG LYS 13 -0.389 3.887 -3.270
95 1HD LYS 13 2HD LYS 13 1.196 3.686 -0.696
96 2HD LYS 13 1HD LYS 13 -0.420 4.360 -0.908
97 1HE LYS 13 2HE LYS 13 -1.110 2.038 -1.740
98 2HE LYS 13 1HE LYS 13 0.424 1.462 -1.094
99 1HZ LYS 13 3HZ LYS 13 -0.707 3.043 0.871
100 2HZ LYS 13 2HZ LYS 13 -1.969 2.069 0.284
101 3HZ LYS 13 1HZ LYS 13 -0.546 1.355 0.877
102 HA PRO 14 HA PRO 14 1.933 -1.592 -6.011
103 1HB PRO 14 2HB PRO 14 0.935 -1.750 -8.577
104 2HB PRO 14 1HB PRO 14 0.072 -2.355 -7.153
105 1HG PRO 14 2HG PRO 14 -0.449 0.102 -8.754
106 2HG PRO 14 1HG PRO 14 -1.570 -0.850 -7.769
107 1HD PRO 14 2HD PRO 14 -0.372 1.607 -7.024
108 2HD PRO 14 1HD PRO 14 -1.233 0.492 -5.942
109 H TRP 15 HN TRP 15 2.046 1.587 -7.178
110 HA TRP 15 HA TRP 15 4.322 1.017 -9.010
111 1HB TRP 15 2HB TRP 15 3.797 3.795 -8.964
112 2HB TRP 15 1HB TRP 15 3.429 2.666 -10.257
113 HD1 TRP 15 HD1 TRP 15 1.821 4.654 -7.469
114 HE1 TRP 15 HE1 TRP 15 -0.743 4.373 -7.617
115 HE3 TRP 15 HE3 TRP 15 1.571 0.959 -10.932
116 HZ2 TRP 15 HZ2 TRP 15 -2.652 2.769 -9.044
117 HZ3 TRP 15 HZ3 TRP 15 -0.620 0.056 -11.689
118 HH2 TRP 15 HH2 TRP 15 -2.731 0.959 -10.744
119 H LEU 16 HN LEU 16 3.417 2.618 -6.004
120 HA LEU 16 HA LEU 16 5.937 3.980 -5.633
121 1HB LEU 16 2HB LEU 16 4.023 3.093 -3.478
122 2HB LEU 16 1HB LEU 16 5.235 4.352 -3.372
123 HG LEU 16 HG LEU 16 2.668 4.381 -4.950
124 1HD1 LEU 16 2HD1 LEU 16 3.062 5.229 -2.483
125 2HD1 LEU 16 1HD1 LEU 16 3.813 6.606 -3.289
126 3HD1 LEU 16 3HD1 LEU 16 2.124 6.210 -3.608
127 1HD2 LEU 16 1HD2 LEU 16 5.092 6.182 -5.260
128 2HD2 LEU 16 3HD2 LEU 16 4.418 5.114 -6.491
129 3HD2 LEU 16 2HD2 LEU 16 3.504 6.520 -5.947
130 H VAL 17 HN VAL 17 5.197 0.734 -5.657
131 HA VAL 17 HA VAL 17 6.506 -0.324 -3.426
132 HB VAL 17 HB VAL 17 5.322 -1.810 -4.891
133 1HG1 VAL 17 1HG1 VAL 17 7.257 -0.785 -6.978
134 2HG1 VAL 17 3HG1 VAL 17 6.285 -2.238 -7.218
135 3HG1 VAL 17 2HG1 VAL 17 5.496 -0.676 -6.988
136 1HG2 VAL 17 1HG2 VAL 17 7.784 -2.395 -3.893
137 2HG2 VAL 17 3HG2 VAL 17 6.782 -3.567 -4.748
138 3HG2 VAL 17 2HG2 VAL 17 8.058 -2.706 -5.607
139 H GLY 18 HN GLY 18 7.847 1.476 -5.985
140 1HA GLY 18 2HA GLY 18 10.441 0.431 -6.235
141 2HA GLY 18 1HA GLY 18 10.050 2.141 -6.421
142 H TRP 19 HN TRP 19 9.817 3.362 -4.206
143 HA TRP 19 HA TRP 19 12.241 2.799 -2.761
144 1HB TRP 19 2HB TRP 19 11.233 4.534 -1.084
145 2HB TRP 19 1HB TRP 19 11.811 5.053 -2.657
146 HD1 TRP 19 HD1 TRP 19 10.171 6.307 -4.143
147 HE1 TRP 19 HE1 TRP 19 7.677 6.928 -3.963
148 HE3 TRP 19 HE3 TRP 19 8.839 3.439 -0.138
149 HZ2 TRP 19 HZ2 TRP 19 5.418 6.295 -2.331
150 HZ3 TRP 19 HZ3 TRP 19 6.510 3.456 0.695
151 HH2 TRP 19 HH2 TRP 19 4.799 4.885 -0.386
152 H TRP 20 HN TRP 20 9.334 1.222 -2.607
153 HA TRP 20 HA TRP 20 9.073 0.817 0.242
154 1HB TRP 20 2HB TRP 20 8.107 -0.546 -2.221
155 2HB TRP 20 1HB TRP 20 8.152 -1.501 -0.738
156 HD1 TRP 20 HD1 TRP 20 7.592 1.902 0.277
157 HE1 TRP 20 HE1 TRP 20 5.086 2.378 0.653
158 HE3 TRP 20 HE3 TRP 20 5.609 -2.131 -1.980
159 HZ2 TRP 20 HZ2 TRP 20 2.553 1.176 0.079
160 HZ3 TRP 20 HZ3 TRP 20 3.151 -2.493 -2.077
161 HH2 TRP 20 HH2 TRP 20 1.618 -0.834 -1.045
162 H ASP 21 HN ASP 21 11.002 -0.581 -2.319
163 HA ASP 21 HA ASP 21 11.941 -2.943 -1.158
164 1HB ASP 21 2HB ASP 21 12.682 -2.493 -3.355
165 2HB ASP 21 1HB ASP 21 13.272 -0.887 -2.926
166 H GLN 22 HN GLN 22 13.645 0.219 -0.874
167 HA GLN 22 HA GLN 22 15.441 -0.646 1.142
168 1HB GLN 22 2HB GLN 22 15.760 1.734 1.653
169 2HB GLN 22 1HB GLN 22 15.663 1.505 -0.092
170 1HG GLN 22 2HG GLN 22 13.425 2.312 -0.180
171 2HG GLN 22 1HG GLN 22 13.234 2.191 1.569
172 1HE2 GLN 22 2HE2 GLN 22 14.147 5.743 0.363
173 2HE2 GLN 22 1HE2 GLN 22 13.071 4.609 -0.321
174 H PHE 23 HN PHE 23 12.067 0.112 1.313
175 HA PHE 23 HA PHE 23 12.052 0.575 4.200
176 1HB PHE 23 2HB PHE 23 10.323 1.666 2.926
177 2HB PHE 23 1HB PHE 23 9.828 0.140 2.191
178 HD1 PHE 23 HD2 PHE 23 8.641 -1.569 3.492
179 HD2 PHE 23 HD1 PHE 23 9.740 2.200 5.236
180 HE1 PHE 23 HE2 PHE 23 7.130 -2.016 5.406
181 HE2 PHE 23 HE1 PHE 23 8.233 1.752 7.152
182 HZ PHE 23 HZ PHE 23 6.923 -0.354 7.236
183 H LYS 24 HN LYS 24 11.712 -2.231 2.104
184 HA LYS 24 HA LYS 24 10.235 -3.964 3.648
185 1HB LYS 24 2HB LYS 24 11.226 -5.753 2.547
186 2HB LYS 24 1HB LYS 24 11.524 -4.416 1.440
187 1HG LYS 24 2HG LYS 24 13.665 -4.422 3.286
188 2HG LYS 24 1HG LYS 24 13.433 -6.094 2.778
189 1HD LYS 24 2HD LYS 24 13.126 -4.484 0.481
190 2HD LYS 24 1HD LYS 24 14.568 -3.906 1.318
191 1HE LYS 24 2HE LYS 24 15.713 -5.872 1.000
192 2HE LYS 24 1HE LYS 24 14.254 -6.856 1.109
193 1HZ LYS 24 1HZ LYS 24 13.933 -5.304 -1.137
194 2HZ LYS 24 3HZ LYS 24 15.549 -5.815 -1.194
195 3HZ LYS 24 2HZ LYS 24 14.301 -6.962 -1.089
196 H ARG 25 HN ARG 25 13.277 -2.594 4.448
197 HA ARG 25 HA ARG 25 13.370 -4.294 6.902
198 1HB ARG 25 2HB ARG 25 15.848 -2.859 6.390
199 2HB ARG 25 1HB ARG 25 15.596 -4.587 6.619
200 1HG ARG 25 2HG ARG 25 15.219 -4.957 4.314
201 2HG ARG 25 1HG ARG 25 14.918 -3.250 4.001
202 1HD ARG 25 2HD ARG 25 17.596 -4.229 4.984
203 2HD ARG 25 1HD ARG 25 17.197 -4.163 3.268
204 HE ARG 25 HE ARG 25 17.528 -1.828 5.057
205 1HH1 ARG 25 1HH2 ARG 25 17.971 -3.085 1.981
206 2HH1 ARG 25 2HH2 ARG 25 17.565 -1.630 1.136
207 1HH2 ARG 25 1HH1 ARG 25 16.463 0.032 3.971
208 2HH2 ARG 25 2HH1 ARG 25 16.717 0.134 2.261
209 1HN NH2 26 1H ARG 25 14.854 -1.123 6.037
210 2HN NH2 26 2H ARG 25 14.201 -0.290 7.376
No H/Q in entry = 210
Start of MODEL 3
1 1H MET 1 2H MET 1 -5.867 -4.819 -19.685
2 2H MET 1 1H MET 1 -4.560 -3.846 -20.166
3 3H MET 1 3H MET 1 -5.508 -4.628 -21.335
4 HA MET 1 HA MET 1 -3.981 -6.230 -21.324
5 1HB MET 1 2HB MET 1 -3.047 -4.608 -19.041
6 2HB MET 1 1HB MET 1 -2.586 -6.310 -18.967
7 1HG MET 1 2HG MET 1 -1.092 -6.072 -20.643
8 2HG MET 1 1HG MET 1 -2.252 -5.200 -21.647
9 1HE MET 1 2HE MET 1 -0.388 -3.845 -22.619
10 2HE MET 1 1HE MET 1 -1.835 -2.874 -22.363
11 3HE MET 1 3HE MET 1 -0.239 -2.197 -22.013
12 HA PRO 2 HA PRO 2 -6.077 -9.378 -19.098
13 1HB PRO 2 2HB PRO 2 -4.290 -11.430 -19.466
14 2HB PRO 2 1HB PRO 2 -5.358 -10.823 -20.744
15 1HG PRO 2 2HG PRO 2 -2.427 -10.403 -20.391
16 2HG PRO 2 1HG PRO 2 -3.393 -10.379 -21.877
17 1HD PRO 2 2HD PRO 2 -2.451 -8.107 -20.467
18 2HD PRO 2 1HD PRO 2 -3.671 -8.107 -21.760
19 H LEU 3 HN LEU 3 -2.670 -10.180 -18.488
20 HA LEU 3 HA LEU 3 -3.176 -10.761 -15.706
21 1HB LEU 3 2HB LEU 3 -0.813 -10.690 -17.520
22 2HB LEU 3 1HB LEU 3 -0.505 -10.597 -15.785
23 HG LEU 3 HG LEU 3 -2.479 -12.641 -16.605
24 1HD1 LEU 3 2HD1 LEU 3 0.236 -12.509 -17.754
25 2HD1 LEU 3 1HD1 LEU 3 -0.153 -14.045 -16.979
26 3HD1 LEU 3 3HD1 LEU 3 -1.168 -13.434 -18.286
27 1HD2 LEU 3 1HD2 LEU 3 -1.341 -12.108 -14.294
28 2HD2 LEU 3 3HD2 LEU 3 -1.598 -13.788 -14.768
29 3HD2 LEU 3 2HD2 LEU 3 -0.004 -13.054 -14.949
30 H VAL 4 HN VAL 4 -1.558 -8.061 -17.397
31 HA VAL 4 HA VAL 4 -0.670 -6.611 -15.164
32 HB VAL 4 HB VAL 4 -1.980 -5.219 -17.494
33 1HG1 VAL 4 2HG1 VAL 4 -0.863 -4.039 -15.496
34 2HG1 VAL 4 1HG1 VAL 4 0.659 -4.656 -16.138
35 3HG1 VAL 4 3HG1 VAL 4 -0.326 -3.560 -17.107
36 1HG2 VAL 4 1HG2 VAL 4 0.468 -6.964 -17.468
37 2HG2 VAL 4 3HG2 VAL 4 -0.776 -6.814 -18.709
38 3HG2 VAL 4 2HG2 VAL 4 0.428 -5.542 -18.510
39 H ASP 5 HN ASP 5 -3.927 -6.940 -16.468
40 HA ASP 5 HA ASP 5 -5.190 -4.827 -15.052
41 1HB ASP 5 2HB ASP 5 -6.003 -7.064 -16.618
42 2HB ASP 5 1HB ASP 5 -6.922 -7.112 -15.113
43 H PHE 6 HN PHE 6 -4.771 -8.254 -14.100
44 HA PHE 6 HA PHE 6 -5.896 -7.908 -11.479
45 1HB PHE 6 2HB PHE 6 -4.953 -10.056 -12.990
46 2HB PHE 6 1HB PHE 6 -3.838 -9.971 -11.625
47 HD1 PHE 6 HD2 PHE 6 -5.085 -9.412 -9.291
48 HD2 PHE 6 HD1 PHE 6 -6.874 -11.338 -12.688
49 HE1 PHE 6 HE2 PHE 6 -6.810 -10.411 -7.816
50 HE2 PHE 6 HE1 PHE 6 -8.599 -12.338 -11.213
51 HZ PHE 6 HZ PHE 6 -8.567 -11.874 -8.777
52 H PHE 7 HN PHE 7 -2.859 -7.050 -12.846
53 HA PHE 7 HA PHE 7 -1.259 -7.121 -10.449
54 1HB PHE 7 2HB PHE 7 -0.825 -6.543 -13.144
55 2HB PHE 7 1HB PHE 7 -0.541 -5.006 -12.330
56 HD1 PHE 7 HD1 PHE 7 0.454 -5.925 -9.693
57 HD2 PHE 7 HD2 PHE 7 1.342 -7.336 -13.650
58 HE1 PHE 7 HE1 PHE 7 2.656 -6.745 -8.905
59 HE2 PHE 7 HE2 PHE 7 3.544 -8.157 -12.864
60 HZ PHE 7 HZ PHE 7 4.203 -7.862 -10.490
61 H CYS 8 HN CYS 8 -3.245 -4.617 -11.998
62 HA CYS 8 HA CYS 8 -2.783 -2.853 -9.638
63 1HB CYS 8 2HB CYS 8 -2.753 -2.288 -12.337
64 2HB CYS 8 1HB CYS 8 -4.373 -1.779 -11.861
65 HG CYS 8 HG CYS 8 -3.322 -0.163 -10.114
66 H GLU 9 HN GLU 9 -4.913 -5.179 -10.556
67 HA GLU 9 HA GLU 9 -7.405 -3.791 -9.901
68 1HB GLU 9 2HB GLU 9 -7.481 -5.623 -11.499
69 2HB GLU 9 1HB GLU 9 -6.761 -6.722 -10.321
70 1HG GLU 9 2HG GLU 9 -8.805 -7.201 -9.531
71 2HG GLU 9 1HG GLU 9 -9.015 -5.509 -9.082
72 H THR 10 HN THR 10 -5.169 -6.021 -8.274
73 HA THR 10 HA THR 10 -6.848 -5.828 -5.822
74 HB THR 10 HB THR 10 -6.210 -8.101 -6.524
75 HG1 THR 10 HG1 THR 10 -6.202 -7.327 -4.232
76 1HG2 THR 10 3HG2 THR 10 -3.714 -6.809 -7.053
77 2HG2 THR 10 2HG2 THR 10 -3.435 -8.090 -5.874
78 3HG2 THR 10 1HG2 THR 10 -4.186 -8.466 -7.424
79 H CYS 11 HN CYS 11 -5.187 -3.591 -6.755
80 HA CYS 11 HA CYS 11 -3.662 -3.228 -4.254
81 1HB CYS 11 2HB CYS 11 -2.197 -2.450 -6.737
82 2HB CYS 11 1HB CYS 11 -1.569 -2.950 -5.171
83 HG CYS 11 HG CYS 11 -1.269 -4.864 -7.046
84 H SER 12 HN SER 12 -3.021 -0.935 -3.975
85 HA SER 12 HA SER 12 -4.775 0.889 -5.569
86 1HB SER 12 2HB SER 12 -4.088 0.947 -2.622
87 2HB SER 12 1HB SER 12 -4.830 2.305 -3.462
88 HG SER 12 HG SER 12 -5.903 -0.299 -3.635
89 H LYS 13 HN LYS 13 -1.612 0.087 -4.928
90 HA LYS 13 HA LYS 13 -0.609 2.431 -6.263
91 1HB LYS 13 2HB LYS 13 0.543 3.553 -4.530
92 2HB LYS 13 1HB LYS 13 -1.063 3.251 -3.880
93 1HG LYS 13 2HG LYS 13 1.509 1.824 -3.240
94 2HG LYS 13 1HG LYS 13 0.406 2.640 -2.149
95 1HD LYS 13 2HD LYS 13 -0.246 0.115 -3.681
96 2HD LYS 13 1HD LYS 13 0.198 0.182 -1.976
97 1HE LYS 13 2HE LYS 13 -1.896 2.087 -2.510
98 2HE LYS 13 1HE LYS 13 -2.376 0.492 -3.080
99 1HZ LYS 13 1HZ LYS 13 -1.731 -0.405 -0.905
100 2HZ LYS 13 3HZ LYS 13 -1.392 1.167 -0.366
101 3HZ LYS 13 2HZ LYS 13 -2.981 0.739 -0.786
102 HA PRO 14 HA PRO 14 1.901 -1.449 -6.349
103 1HB PRO 14 2HB PRO 14 1.614 -1.799 -9.069
104 2HB PRO 14 1HB PRO 14 0.520 -2.496 -7.861
105 1HG PRO 14 2HG PRO 14 0.082 -0.157 -9.665
106 2HG PRO 14 1HG PRO 14 -1.103 -1.270 -8.962
107 1HD PRO 14 2HD PRO 14 -0.556 1.339 -8.019
108 2HD PRO 14 1HD PRO 14 -1.423 0.077 -7.117
109 H TRP 15 HN TRP 15 2.155 1.713 -7.283
110 HA TRP 15 HA TRP 15 4.674 1.316 -8.818
111 1HB TRP 15 2HB TRP 15 4.230 4.077 -8.471
112 2HB TRP 15 1HB TRP 15 3.983 3.143 -9.936
113 HD1 TRP 15 HD1 TRP 15 2.122 4.827 -7.108
114 HE1 TRP 15 HE1 TRP 15 -0.412 4.708 -7.590
115 HE3 TRP 15 HE3 TRP 15 2.165 1.649 -11.062
116 HZ2 TRP 15 HZ2 TRP 15 -2.189 3.419 -9.440
117 HZ3 TRP 15 HZ3 TRP 15 0.047 0.981 -12.185
118 HH2 TRP 15 HH2 TRP 15 -2.127 1.864 -11.377
119 H LEU 16 HN LEU 16 3.392 2.556 -5.791
120 HA LEU 16 HA LEU 16 5.776 3.829 -4.846
121 1HB LEU 16 2HB LEU 16 3.712 2.457 -3.127
122 2HB LEU 16 1HB LEU 16 4.745 3.806 -2.693
123 HG LEU 16 HG LEU 16 2.533 3.852 -4.760
124 1HD1 LEU 16 3HD1 LEU 16 2.096 3.917 -2.161
125 2HD1 LEU 16 2HD1 LEU 16 2.690 5.572 -2.302
126 3HD1 LEU 16 1HD1 LEU 16 1.271 5.064 -3.217
127 1HD2 LEU 16 1HD2 LEU 16 4.500 5.257 -5.365
128 2HD2 LEU 16 3HD2 LEU 16 3.079 6.232 -4.988
129 3HD2 LEU 16 2HD2 LEU 16 4.376 6.067 -3.803
130 H VAL 17 HN VAL 17 5.026 0.551 -5.314
131 HA VAL 17 HA VAL 17 6.451 -0.632 -3.162
132 HB VAL 17 HB VAL 17 4.989 -1.933 -4.665
133 1HG1 VAL 17 2HG1 VAL 17 7.152 -1.307 -6.691
134 2HG1 VAL 17 1HG1 VAL 17 5.933 -2.560 -6.925
135 3HG1 VAL 17 3HG1 VAL 17 5.446 -0.871 -6.781
136 1HG2 VAL 17 3HG2 VAL 17 7.527 -2.690 -3.689
137 2HG2 VAL 17 2HG2 VAL 17 6.188 -3.758 -4.107
138 3HG2 VAL 17 1HG2 VAL 17 7.416 -3.372 -5.311
139 H GLY 18 HN GLY 18 7.573 1.264 -5.728
140 1HA GLY 18 2HA GLY 18 10.149 0.070 -6.164
141 2HA GLY 18 1HA GLY 18 9.728 1.744 -6.531
142 H TRP 19 HN TRP 19 9.242 2.929 -4.121
143 HA TRP 19 HA TRP 19 11.899 2.697 -2.900
144 1HB TRP 19 2HB TRP 19 11.059 4.584 -1.390
145 2HB TRP 19 1HB TRP 19 11.294 4.945 -3.090
146 HD1 TRP 19 HD1 TRP 19 9.394 6.141 -4.219
147 HE1 TRP 19 HE1 TRP 19 6.916 6.585 -3.676
148 HE3 TRP 19 HE3 TRP 19 8.860 3.211 -0.073
149 HZ2 TRP 19 HZ2 TRP 19 4.967 5.806 -1.742
150 HZ3 TRP 19 HZ3 TRP 19 6.678 3.070 1.087
151 HH2 TRP 19 HH2 TRP 19 4.734 4.370 0.267
152 H TRP 20 HN TRP 20 9.503 0.729 -2.606
153 HA TRP 20 HA TRP 20 9.213 0.621 0.328
154 1HB TRP 20 2HB TRP 20 8.136 -0.884 -2.012
155 2HB TRP 20 1HB TRP 20 8.287 -1.768 -0.498
156 HD1 TRP 20 HD1 TRP 20 7.694 1.509 0.646
157 HE1 TRP 20 HE1 TRP 20 5.201 1.982 1.049
158 HE3 TRP 20 HE3 TRP 20 5.660 -2.341 -1.905
159 HZ2 TRP 20 HZ2 TRP 20 2.652 0.858 0.386
160 HZ3 TRP 20 HZ3 TRP 20 3.201 -2.655 -2.025
161 HH2 TRP 20 HH2 TRP 20 1.691 -1.052 -0.878
162 H ASP 21 HN ASP 21 10.945 -0.924 -2.303
163 HA ASP 21 HA ASP 21 12.052 -3.163 -1.052
164 1HB ASP 21 2HB ASP 21 12.527 -2.834 -3.354
165 2HB ASP 21 1HB ASP 21 13.197 -1.229 -3.076
166 H GLN 22 HN GLN 22 12.984 0.230 -0.722
167 HA GLN 22 HA GLN 22 15.218 -0.501 1.077
168 1HB GLN 22 2HB GLN 22 15.744 1.864 1.095
169 2HB GLN 22 1HB GLN 22 15.421 1.391 -0.573
170 1HG GLN 22 2HG GLN 22 13.062 2.189 -0.286
171 2HG GLN 22 1HG GLN 22 13.501 2.784 1.316
172 1HE2 GLN 22 2HE2 GLN 22 13.965 5.700 -0.884
173 2HE2 GLN 22 1HE2 GLN 22 12.674 4.806 -0.220
174 H PHE 23 HN PHE 23 11.892 0.489 1.245
175 HA PHE 23 HA PHE 23 11.942 1.590 3.900
176 1HB PHE 23 2HB PHE 23 9.990 2.028 2.582
177 2HB PHE 23 1HB PHE 23 9.730 0.307 2.280
178 HD1 PHE 23 HD2 PHE 23 9.674 2.949 4.888
179 HD2 PHE 23 HD1 PHE 23 8.642 -1.098 3.892
180 HE1 PHE 23 HE2 PHE 23 8.346 2.775 6.973
181 HE2 PHE 23 HE1 PHE 23 7.317 -1.275 5.980
182 HZ PHE 23 HZ PHE 23 7.163 0.665 7.519
183 H LYS 24 HN LYS 24 11.598 -1.711 2.656
184 HA LYS 24 HA LYS 24 10.698 -3.169 4.780
185 1HB LYS 24 2HB LYS 24 12.603 -4.859 4.209
186 2HB LYS 24 1HB LYS 24 11.407 -4.481 2.973
187 1HG LYS 24 2HG LYS 24 13.232 -4.067 1.679
188 2HG LYS 24 1HG LYS 24 13.251 -2.517 2.513
189 1HD LYS 24 2HD LYS 24 15.186 -3.007 3.535
190 2HD LYS 24 1HD LYS 24 14.555 -4.550 4.111
191 1HE LYS 24 2HE LYS 24 14.954 -4.823 1.315
192 2HE LYS 24 1HE LYS 24 16.406 -4.059 1.963
193 1HZ LYS 24 3HZ LYS 24 16.287 -5.841 3.747
194 2HZ LYS 24 2HZ LYS 24 15.189 -6.642 2.726
195 3HZ LYS 24 1HZ LYS 24 16.774 -6.333 2.198
196 H ARG 25 HN ARG 25 13.686 -1.424 4.648
197 HA ARG 25 HA ARG 25 14.213 -2.182 7.452
198 1HB ARG 25 2HB ARG 25 16.234 -2.828 6.717
199 2HB ARG 25 1HB ARG 25 15.859 -2.313 5.092
200 1HG ARG 25 2HG ARG 25 16.719 -0.303 7.165
201 2HG ARG 25 1HG ARG 25 17.913 -1.246 6.275
202 1HD ARG 25 2HD ARG 25 17.727 0.238 4.594
203 2HD ARG 25 1HD ARG 25 16.087 -0.355 4.334
204 HE ARG 25 HE ARG 25 15.989 1.533 6.447
205 1HH1 ARG 25 1HH2 ARG 25 18.002 2.691 4.386
206 2HH1 ARG 25 2HH2 ARG 25 16.945 3.706 3.464
207 1HH2 ARG 25 1HH1 ARG 25 14.046 2.262 4.700
208 2HH2 ARG 25 2HH1 ARG 25 14.707 3.464 3.643
209 1HN NH2 26 1H ARG 25 15.192 -0.350 8.719
210 2HN NH2 26 2H ARG 25 14.780 1.250 8.303
No H/Q in entry = 210
Start of MODEL 4
1 1H MET 1 2H MET 1 -16.439 3.300 -9.268
2 2H MET 1 1H MET 1 -15.841 4.579 -10.213
3 3H MET 1 3H MET 1 -17.414 4.000 -10.471
4 HA MET 1 HA MET 1 -16.705 2.484 -11.898
5 1HB MET 1 2HB MET 1 -14.267 4.116 -11.356
6 2HB MET 1 1HB MET 1 -14.053 2.617 -12.261
7 1HG MET 1 2HG MET 1 -16.262 3.653 -13.487
8 2HG MET 1 1HG MET 1 -15.393 5.126 -13.062
9 1HE MET 1 1HE MET 1 -14.307 6.154 -14.275
10 2HE MET 1 3HE MET 1 -12.834 5.715 -15.150
11 3HE MET 1 2HE MET 1 -14.385 5.738 -15.984
12 HA PRO 2 HA PRO 2 -15.380 -1.085 -9.714
13 1HB PRO 2 2HB PRO 2 -14.706 -2.683 -11.843
14 2HB PRO 2 1HB PRO 2 -16.375 -2.304 -11.396
15 1HG PRO 2 2HG PRO 2 -14.763 -1.251 -13.668
16 2HG PRO 2 1HG PRO 2 -16.519 -1.428 -13.528
17 1HD PRO 2 2HD PRO 2 -15.067 0.981 -13.223
18 2HD PRO 2 1HD PRO 2 -16.763 0.718 -12.764
19 H LEU 3 HN LEU 3 -13.222 0.172 -12.202
20 HA LEU 3 HA LEU 3 -10.894 -1.321 -11.520
21 1HB LEU 3 2HB LEU 3 -11.443 1.242 -12.955
22 2HB LEU 3 1HB LEU 3 -9.785 0.926 -12.442
23 HG LEU 3 HG LEU 3 -10.983 -1.444 -13.617
24 1HD1 LEU 3 1HD1 LEU 3 -12.160 0.568 -14.809
25 2HD1 LEU 3 3HD1 LEU 3 -10.589 0.805 -15.577
26 3HD1 LEU 3 2HD1 LEU 3 -11.457 -0.716 -15.794
27 1HD2 LEU 3 2HD2 LEU 3 -8.483 -0.210 -13.350
28 2HD2 LEU 3 1HD2 LEU 3 -8.823 -1.712 -14.211
29 3HD2 LEU 3 3HD2 LEU 3 -8.810 -0.179 -15.083
30 H VAL 4 HN VAL 4 -12.252 1.681 -10.242
31 HA VAL 4 HA VAL 4 -10.036 2.411 -8.588
32 HB VAL 4 HB VAL 4 -12.905 2.879 -7.791
33 1HG1 VAL 4 1HG1 VAL 4 -10.971 3.699 -6.404
34 2HG1 VAL 4 3HG1 VAL 4 -10.471 4.683 -7.778
35 3HG1 VAL 4 2HG1 VAL 4 -12.021 4.987 -6.996
36 1HG2 VAL 4 3HG2 VAL 4 -11.400 4.001 -10.154
37 2HG2 VAL 4 2HG2 VAL 4 -13.046 3.375 -10.099
38 3HG2 VAL 4 1HG2 VAL 4 -12.672 4.932 -9.364
39 H ASP 5 HN ASP 5 -12.722 0.167 -8.166
40 HA ASP 5 HA ASP 5 -12.573 -0.349 -5.410
41 1HB ASP 5 2HB ASP 5 -13.061 -2.236 -7.729
42 2HB ASP 5 1HB ASP 5 -13.235 -2.725 -6.044
43 H PHE 6 HN PHE 6 -10.643 -1.828 -8.026
44 HA PHE 6 HA PHE 6 -8.974 -3.334 -6.198
45 1HB PHE 6 2HB PHE 6 -9.278 -3.039 -9.051
46 2HB PHE 6 1HB PHE 6 -7.573 -2.903 -8.619
47 HD1 PHE 6 HD2 PHE 6 -6.587 -4.699 -7.053
48 HD2 PHE 6 HD1 PHE 6 -10.331 -5.146 -9.112
49 HE1 PHE 6 HE2 PHE 6 -6.470 -7.155 -6.733
50 HE2 PHE 6 HE1 PHE 6 -10.213 -7.602 -8.791
51 HZ PHE 6 HZ PHE 6 -8.283 -8.607 -7.603
52 H PHE 7 HN PHE 7 -8.782 -0.202 -7.786
53 HA PHE 7 HA PHE 7 -6.213 0.649 -7.571
54 1HB PHE 7 2HB PHE 7 -8.257 2.055 -8.128
55 2HB PHE 7 1HB PHE 7 -8.474 2.281 -6.394
56 HD1 PHE 7 HD1 PHE 7 -5.017 1.923 -7.006
57 HD2 PHE 7 HD2 PHE 7 -8.226 4.756 -7.387
58 HE1 PHE 7 HE1 PHE 7 -3.376 3.779 -7.046
59 HE2 PHE 7 HE2 PHE 7 -6.582 6.610 -7.426
60 HZ PHE 7 HZ PHE 7 -4.158 6.123 -7.256
61 H CYS 8 HN CYS 8 -8.346 0.006 -4.842
62 HA CYS 8 HA CYS 8 -5.951 0.236 -3.055
63 1HB CYS 8 2HB CYS 8 -7.934 2.142 -3.072
64 2HB CYS 8 1HB CYS 8 -8.519 1.035 -1.829
65 HG CYS 8 HG CYS 8 -6.649 2.956 -1.044
66 H GLU 9 HN GLU 9 -8.505 -1.667 -4.167
67 HA GLU 9 HA GLU 9 -9.472 -3.004 -1.899
68 1HB GLU 9 2HB GLU 9 -10.284 -3.542 -4.146
69 2HB GLU 9 1HB GLU 9 -8.694 -4.156 -4.596
70 1HG GLU 9 2HG GLU 9 -9.644 -6.147 -4.004
71 2HG GLU 9 1HG GLU 9 -9.106 -5.642 -2.402
72 H THR 10 HN THR 10 -6.482 -3.539 -3.745
73 HA THR 10 HA THR 10 -5.520 -5.333 -1.593
74 HB THR 10 HB THR 10 -4.716 -6.423 -3.410
75 HG1 THR 10 HG1 THR 10 -2.777 -5.739 -2.719
76 1HG2 THR 10 2HG2 THR 10 -6.082 -5.000 -4.926
77 2HG2 THR 10 1HG2 THR 10 -4.756 -3.839 -4.988
78 3HG2 THR 10 3HG2 THR 10 -4.537 -5.462 -5.641
79 H CYS 11 HN CYS 11 -4.398 -2.544 -3.425
80 HA CYS 11 HA CYS 11 -3.434 -1.255 -0.985
81 1HB CYS 11 2HB CYS 11 -1.405 -1.713 -3.168
82 2HB CYS 11 1HB CYS 11 -1.157 -1.142 -1.527
83 HG CYS 11 HG CYS 11 -1.094 -4.019 -2.340
84 H SER 12 HN SER 12 -2.521 0.989 -1.596
85 HA SER 12 HA SER 12 -4.049 1.978 -3.965
86 1HB SER 12 2HB SER 12 -4.722 3.705 -2.685
87 2HB SER 12 1HB SER 12 -4.049 2.834 -1.312
88 HG SER 12 HG SER 12 -2.602 4.339 -1.198
89 H LYS 13 HN LYS 13 -0.929 1.212 -3.187
90 HA LYS 13 HA LYS 13 0.087 3.101 -5.235
91 1HB LYS 13 2HB LYS 13 2.033 3.658 -3.876
92 2HB LYS 13 1HB LYS 13 0.569 4.084 -2.997
93 1HG LYS 13 2HG LYS 13 1.298 1.340 -2.448
94 2HG LYS 13 1HG LYS 13 2.657 2.413 -2.105
95 1HD LYS 13 2HD LYS 13 1.340 2.305 -0.100
96 2HD LYS 13 1HD LYS 13 1.024 3.882 -0.828
97 1HE LYS 13 2HE LYS 13 -1.063 3.149 -1.734
98 2HE LYS 13 1HE LYS 13 -0.706 1.464 -1.363
99 1HZ LYS 13 2HZ LYS 13 -0.532 3.090 0.961
100 2HZ LYS 13 1HZ LYS 13 -2.059 3.244 0.233
101 3HZ LYS 13 3HZ LYS 13 -1.486 1.713 0.683
102 HA PRO 14 HA PRO 14 1.628 -1.215 -5.755
103 1HB PRO 14 2HB PRO 14 0.723 -1.490 -8.341
104 2HB PRO 14 1HB PRO 14 -0.237 -1.929 -6.916
105 1HG PRO 14 2HG PRO 14 -0.514 0.439 -8.708
106 2HG PRO 14 1HG PRO 14 -1.743 -0.370 -7.724
107 1HD PRO 14 2HD PRO 14 -0.433 2.052 -7.074
108 2HD PRO 14 1HD PRO 14 -1.399 1.056 -5.961
109 H TRP 15 HN TRP 15 2.083 1.850 -7.084
110 HA TRP 15 HA TRP 15 4.310 0.956 -8.849
111 1HB TRP 15 2HB TRP 15 4.109 3.780 -8.884
112 2HB TRP 15 1HB TRP 15 3.646 2.666 -10.160
113 HD1 TRP 15 HD1 TRP 15 2.215 4.889 -7.456
114 HE1 TRP 15 HE1 TRP 15 -0.360 4.888 -7.645
115 HE3 TRP 15 HE3 TRP 15 1.615 1.156 -10.839
116 HZ2 TRP 15 HZ2 TRP 15 -2.411 3.468 -9.067
117 HZ3 TRP 15 HZ3 TRP 15 -0.652 0.481 -11.610
118 HH2 TRP 15 HH2 TRP 15 -2.664 1.636 -10.724
119 H LEU 16 HN LEU 16 3.555 2.552 -5.857
120 HA LEU 16 HA LEU 16 6.115 3.804 -5.419
121 1HB LEU 16 2HB LEU 16 3.791 3.045 -3.678
122 2HB LEU 16 1HB LEU 16 5.303 3.560 -2.939
123 HG LEU 16 HG LEU 16 5.198 5.703 -3.947
124 1HD1 LEU 16 3HD1 LEU 16 2.987 4.587 -5.693
125 2HD1 LEU 16 2HD1 LEU 16 3.548 6.259 -5.709
126 3HD1 LEU 16 1HD1 LEU 16 4.629 4.959 -6.214
127 1HD2 LEU 16 1HD2 LEU 16 3.162 4.805 -2.311
128 2HD2 LEU 16 3HD2 LEU 16 3.440 6.493 -2.740
129 3HD2 LEU 16 2HD2 LEU 16 2.274 5.532 -3.650
130 H VAL 17 HN VAL 17 5.258 0.570 -5.587
131 HA VAL 17 HA VAL 17 6.591 -0.651 -3.456
132 HB VAL 17 HB VAL 17 5.350 -1.969 -5.091
133 1HG1 VAL 17 1HG1 VAL 17 7.043 -0.493 -6.930
134 2HG1 VAL 17 3HG1 VAL 17 7.134 -2.226 -7.249
135 3HG1 VAL 17 2HG1 VAL 17 5.572 -1.406 -7.263
136 1HG2 VAL 17 2HG2 VAL 17 7.633 -2.761 -3.896
137 2HG2 VAL 17 1HG2 VAL 17 6.713 -3.820 -4.964
138 3HG2 VAL 17 3HG2 VAL 17 8.120 -2.954 -5.581
139 H GLY 18 HN GLY 18 7.901 1.221 -6.006
140 1HA GLY 18 2HA GLY 18 10.520 0.178 -6.205
141 2HA GLY 18 1HA GLY 18 10.101 1.866 -6.494
142 H TRP 19 HN TRP 19 9.625 3.077 -4.205
143 HA TRP 19 HA TRP 19 12.122 2.685 -2.774
144 1HB TRP 19 2HB TRP 19 11.146 4.474 -1.193
145 2HB TRP 19 1HB TRP 19 11.603 4.937 -2.819
146 HD1 TRP 19 HD1 TRP 19 9.883 6.236 -4.111
147 HE1 TRP 19 HE1 TRP 19 7.381 6.768 -3.814
148 HE3 TRP 19 HE3 TRP 19 8.779 3.137 -0.205
149 HZ2 TRP 19 HZ2 TRP 19 5.212 5.996 -2.133
150 HZ3 TRP 19 HZ3 TRP 19 6.478 3.049 0.707
151 HH2 TRP 19 HH2 TRP 19 4.693 4.475 -0.248
152 H TRP 20 HN TRP 20 9.463 0.868 -2.654
153 HA TRP 20 HA TRP 20 9.090 0.611 0.223
154 1HB TRP 20 2HB TRP 20 8.218 -0.865 -2.212
155 2HB TRP 20 1HB TRP 20 8.288 -1.784 -0.710
156 HD1 TRP 20 HD1 TRP 20 7.560 1.554 0.316
157 HE1 TRP 20 HE1 TRP 20 5.036 1.936 0.632
158 HE3 TRP 20 HE3 TRP 20 5.777 -2.499 -2.089
159 HZ2 TRP 20 HZ2 TRP 20 2.561 0.664 -0.046
160 HZ3 TRP 20 HZ3 TRP 20 3.338 -2.934 -2.262
161 HH2 TRP 20 HH2 TRP 20 1.725 -1.348 -1.239
162 H ASP 21 HN ASP 21 11.062 -0.875 -2.287
163 HA ASP 21 HA ASP 21 12.120 -3.093 -0.967
164 1HB ASP 21 2HB ASP 21 12.833 -2.787 -3.189
165 2HB ASP 21 1HB ASP 21 13.325 -1.117 -2.903
166 H GLN 22 HN GLN 22 13.322 0.277 -0.752
167 HA GLN 22 HA GLN 22 15.260 -0.404 1.304
168 1HB GLN 22 2HB GLN 22 15.617 2.004 1.481
169 2HB GLN 22 1HB GLN 22 15.522 1.556 -0.222
170 1HG GLN 22 2HG GLN 22 13.219 2.302 -0.353
171 2HG GLN 22 1HG GLN 22 13.172 2.591 1.386
172 1HE2 GLN 22 2HE2 GLN 22 13.855 5.901 -0.107
173 2HE2 GLN 22 1HE2 GLN 22 12.547 4.810 -0.015
174 H PHE 23 HN PHE 23 11.899 0.471 1.246
175 HA PHE 23 HA PHE 23 11.721 1.361 3.998
176 1HB PHE 23 2HB PHE 23 9.921 2.040 2.603
177 2HB PHE 23 1HB PHE 23 9.705 0.412 1.959
178 HD1 PHE 23 HD1 PHE 23 9.165 2.595 4.893
179 HD2 PHE 23 HD2 PHE 23 8.508 -1.291 3.188
180 HE1 PHE 23 HE1 PHE 23 7.536 2.081 6.689
181 HE2 PHE 23 HE2 PHE 23 6.877 -1.806 4.980
182 HZ PHE 23 HZ PHE 23 6.387 -0.117 6.732
183 H LYS 24 HN LYS 24 12.219 -1.680 2.576
184 HA LYS 24 HA LYS 24 10.743 -3.468 4.112
185 1HB LYS 24 2HB LYS 24 12.656 -5.047 3.873
186 2HB LYS 24 1HB LYS 24 12.257 -4.237 2.359
187 1HG LYS 24 2HG LYS 24 14.528 -3.877 2.351
188 2HG LYS 24 1HG LYS 24 14.041 -2.468 3.294
189 1HD LYS 24 2HD LYS 24 15.702 -3.376 4.654
190 2HD LYS 24 1HD LYS 24 14.256 -4.121 5.333
191 1HE LYS 24 2HE LYS 24 15.785 -5.915 5.049
192 2HE LYS 24 1HE LYS 24 14.678 -6.046 3.682
193 1HZ LYS 24 3HZ LYS 24 16.923 -4.320 3.190
194 2HZ LYS 24 2HZ LYS 24 17.370 -5.929 3.503
195 3HZ LYS 24 1HZ LYS 24 16.291 -5.574 2.239
196 H ARG 25 HN ARG 25 13.177 -1.303 5.203
197 HA ARG 25 HA ARG 25 13.333 -2.719 7.810
198 1HB ARG 25 2HB ARG 25 15.062 -0.597 8.000
199 2HB ARG 25 1HB ARG 25 15.535 -2.221 7.515
200 1HG ARG 25 2HG ARG 25 15.320 -1.641 5.174
201 2HG ARG 25 1HG ARG 25 14.613 -0.077 5.578
202 1HD ARG 25 2HD ARG 25 17.277 -0.695 6.758
203 2HD ARG 25 1HD ARG 25 17.227 -0.361 5.027
204 HE ARG 25 HE ARG 25 16.716 1.572 7.168
205 1HH1 ARG 25 1HH1 ARG 25 14.412 2.282 5.767
206 2HH1 ARG 25 2HH1 ARG 25 14.943 3.195 4.393
207 1HH2 ARG 25 1HH2 ARG 25 18.216 2.066 4.572
208 2HH2 ARG 25 2HH2 ARG 25 17.097 3.073 3.718
209 1HN NH2 26 1H ARG 25 13.734 0.780 7.265
210 2HN NH2 26 2H ARG 25 12.430 1.253 8.261
No H/Q in entry = 210
Start of MODEL 5
1 1H MET 1 2H MET 1 -11.778 -4.765 10.052
2 2H MET 1 1H MET 1 -11.076 -3.336 9.459
3 3H MET 1 3H MET 1 -11.842 -3.340 10.972
4 HA MET 1 HA MET 1 -13.973 -3.547 10.042
5 1HB MET 1 2HB MET 1 -12.872 -1.799 7.914
6 2HB MET 1 1HB MET 1 -14.133 -1.470 9.101
7 1HG MET 1 2HG MET 1 -12.250 -1.411 10.847
8 2HG MET 1 1HG MET 1 -11.138 -1.340 9.480
9 1HE MET 1 1HE MET 1 -11.066 -0.001 7.812
10 2HE MET 1 3HE MET 1 -12.369 1.078 7.296
11 3HE MET 1 2HE MET 1 -10.955 1.731 8.118
12 HA PRO 2 HA PRO 2 -14.524 -6.010 6.465
13 1HB PRO 2 2HB PRO 2 -16.897 -4.998 5.526
14 2HB PRO 2 1HB PRO 2 -16.770 -6.013 6.968
15 1HG PRO 2 2HG PRO 2 -17.232 -3.076 6.786
16 2HG PRO 2 1HG PRO 2 -17.707 -4.208 8.062
17 1HD PRO 2 2HD PRO 2 -15.512 -2.428 8.154
18 2HD PRO 2 1HD PRO 2 -15.809 -3.783 9.265
19 H LEU 3 HN LEU 3 -14.802 -2.539 6.023
20 HA LEU 3 HA LEU 3 -14.678 -2.516 3.157
21 1HB LEU 3 2HB LEU 3 -14.056 -0.495 5.304
22 2HB LEU 3 1HB LEU 3 -13.761 -0.131 3.604
23 HG LEU 3 HG LEU 3 -16.269 -1.126 3.424
24 1HD1 LEU 3 2HD1 LEU 3 -16.414 -1.453 5.879
25 2HD1 LEU 3 1HD1 LEU 3 -16.123 0.271 6.115
26 3HD1 LEU 3 3HD1 LEU 3 -17.596 -0.273 5.312
27 1HD2 LEU 3 1HD2 LEU 3 -15.410 1.702 4.107
28 2HD2 LEU 3 3HD2 LEU 3 -15.609 1.010 2.497
29 3HD2 LEU 3 2HD2 LEU 3 -17.021 1.286 3.518
30 H VAL 4 HN VAL 4 -12.234 -2.604 5.695
31 HA VAL 4 HA VAL 4 -9.932 -1.996 4.167
32 HB VAL 4 HB VAL 4 -10.074 -4.109 6.333
33 1HG1 VAL 4 2HG1 VAL 4 -7.963 -2.957 4.808
34 2HG1 VAL 4 1HG1 VAL 4 -7.822 -2.339 6.454
35 3HG1 VAL 4 3HG1 VAL 4 -7.833 -4.078 6.163
36 1HG2 VAL 4 2HG2 VAL 4 -10.200 -1.101 6.472
37 2HG2 VAL 4 1HG2 VAL 4 -11.176 -2.288 7.337
38 3HG2 VAL 4 3HG2 VAL 4 -9.493 -2.030 7.794
39 H ASP 5 HN ASP 5 -12.052 -4.702 4.001
40 HA ASP 5 HA ASP 5 -10.204 -6.656 2.975
41 1HB ASP 5 2HB ASP 5 -12.999 -6.500 3.500
42 2HB ASP 5 1HB ASP 5 -12.807 -7.012 1.824
43 H PHE 6 HN PHE 6 -12.297 -4.244 1.393
44 HA PHE 6 HA PHE 6 -11.536 -5.014 -1.291
45 1HB PHE 6 2HB PHE 6 -13.399 -3.261 -0.128
46 2HB PHE 6 1HB PHE 6 -12.308 -2.223 -1.046
47 HD1 PHE 6 HD1 PHE 6 -13.954 -5.582 -1.443
48 HD2 PHE 6 HD2 PHE 6 -12.882 -1.842 -3.265
49 HE1 PHE 6 HE1 PHE 6 -15.049 -6.295 -3.551
50 HE2 PHE 6 HE2 PHE 6 -13.977 -2.555 -5.373
51 HZ PHE 6 HZ PHE 6 -15.060 -4.781 -5.516
52 H PHE 7 HN PHE 7 -10.215 -2.840 1.126
53 HA PHE 7 HA PHE 7 -8.565 -1.202 -0.459
54 1HB PHE 7 2HB PHE 7 -8.926 -1.437 2.190
55 2HB PHE 7 1HB PHE 7 -7.403 -2.312 2.055
56 HD1 PHE 7 HD1 PHE 7 -6.005 -0.933 -0.106
57 HD2 PHE 7 HD2 PHE 7 -8.429 0.682 3.050
58 HE1 PHE 7 HE1 PHE 7 -4.787 1.222 -0.272
59 HE2 PHE 7 HE2 PHE 7 -7.213 2.836 2.883
60 HZ PHE 7 HZ PHE 7 -5.392 3.107 1.222
61 H CYS 8 HN CYS 8 -7.504 -4.228 1.160
62 HA CYS 8 HA CYS 8 -5.076 -4.426 -0.319
63 1HB CYS 8 2HB CYS 8 -5.182 -6.819 0.498
64 2HB CYS 8 1HB CYS 8 -5.294 -5.604 1.760
65 HG CYS 8 HG CYS 8 -7.866 -6.969 0.615
66 H GLU 9 HN GLU 9 -8.332 -5.735 -0.849
67 HA GLU 9 HA GLU 9 -7.924 -7.601 -2.850
68 1HB GLU 9 2HB GLU 9 -10.117 -6.251 -1.894
69 2HB GLU 9 1HB GLU 9 -10.020 -5.650 -3.550
70 1HG GLU 9 2HG GLU 9 -10.887 -7.581 -4.305
71 2HG GLU 9 1HG GLU 9 -9.532 -8.466 -3.603
72 H THR 10 HN THR 10 -8.477 -4.128 -3.559
73 HA THR 10 HA THR 10 -6.570 -4.423 -5.839
74 HB THR 10 HB THR 10 -8.795 -4.447 -6.804
75 HG1 THR 10 HG1 THR 10 -8.042 -3.119 -8.218
76 1HG2 THR 10 1HG2 THR 10 -9.262 -2.421 -4.711
77 2HG2 THR 10 3HG2 THR 10 -10.018 -2.065 -6.265
78 3HG2 THR 10 2HG2 THR 10 -10.383 -3.577 -5.431
79 H CYS 11 HN CYS 11 -5.124 -3.442 -4.138
80 HA CYS 11 HA CYS 11 -5.522 -0.919 -2.952
81 1HB CYS 11 2HB CYS 11 -2.889 -1.948 -4.044
82 2HB CYS 11 1HB CYS 11 -3.114 -0.791 -2.732
83 HG CYS 11 HG CYS 11 -2.754 -3.203 -1.708
84 H SER 12 HN SER 12 -3.849 0.987 -3.730
85 HA SER 12 HA SER 12 -4.289 1.421 -6.651
86 1HB SER 12 2HB SER 12 -4.960 3.320 -4.397
87 2HB SER 12 1HB SER 12 -4.846 3.818 -6.081
88 HG SER 12 HG SER 12 -6.673 2.826 -6.501
89 H LYS 13 HN LYS 13 -1.856 0.804 -4.917
90 HA LYS 13 HA LYS 13 -0.266 3.027 -6.012
91 1HB LYS 13 2HB LYS 13 0.293 3.976 -4.031
92 2HB LYS 13 1HB LYS 13 -1.184 3.227 -3.481
93 1HG LYS 13 2HG LYS 13 1.592 2.062 -3.185
94 2HG LYS 13 1HG LYS 13 0.620 2.774 -1.917
95 1HD LYS 13 2HD LYS 13 -0.185 0.340 -3.524
96 2HD LYS 13 1HD LYS 13 0.462 0.308 -1.882
97 1HE LYS 13 2HE LYS 13 -1.559 2.168 -1.682
98 2HE LYS 13 1HE LYS 13 -2.234 0.996 -2.814
99 1HZ LYS 13 3HZ LYS 13 -1.073 -0.554 -0.916
100 2HZ LYS 13 2HZ LYS 13 -1.706 0.733 -0.005
101 3HZ LYS 13 1HZ LYS 13 -2.726 -0.185 -1.006
102 HA PRO 14 HA PRO 14 1.801 -1.241 -5.925
103 1HB PRO 14 2HB PRO 14 1.289 -1.967 -8.526
104 2HB PRO 14 1HB PRO 14 0.257 -2.429 -7.161
105 1HG PRO 14 2HG PRO 14 -0.203 -0.327 -9.241
106 2HG PRO 14 1HG PRO 14 -1.384 -1.312 -8.360
107 1HD PRO 14 2HD PRO 14 -0.771 1.363 -7.759
108 2HD PRO 14 1HD PRO 14 -1.549 0.211 -6.654
109 H TRP 15 HN TRP 15 2.028 1.751 -7.325
110 HA TRP 15 HA TRP 15 4.358 1.056 -9.040
111 1HB TRP 15 2HB TRP 15 4.010 3.856 -9.026
112 2HB TRP 15 1HB TRP 15 3.602 2.745 -10.321
113 HD1 TRP 15 HD1 TRP 15 2.064 4.881 -7.612
114 HE1 TRP 15 HE1 TRP 15 -0.509 4.756 -7.804
115 HE3 TRP 15 HE3 TRP 15 1.648 1.128 -11.003
116 HZ2 TRP 15 HZ2 TRP 15 -2.487 3.240 -9.231
117 HZ3 TRP 15 HZ3 TRP 15 -0.582 0.347 -11.776
118 HH2 TRP 15 HH2 TRP 15 -2.648 1.400 -10.891
119 H LEU 16 HN LEU 16 3.507 2.579 -6.019
120 HA LEU 16 HA LEU 16 6.075 3.881 -5.624
121 1HB LEU 16 2HB LEU 16 3.944 3.127 -3.612
122 2HB LEU 16 1HB LEU 16 5.282 4.237 -3.340
123 HG LEU 16 HG LEU 16 3.901 4.990 -5.745
124 1HD1 LEU 16 2HD1 LEU 16 2.115 3.713 -4.273
125 2HD1 LEU 16 1HD1 LEU 16 2.122 5.216 -3.350
126 3HD1 LEU 16 3HD1 LEU 16 1.699 5.234 -5.063
127 1HD2 LEU 16 1HD2 LEU 16 5.315 6.234 -3.843
128 2HD2 LEU 16 3HD2 LEU 16 4.124 7.093 -4.819
129 3HD2 LEU 16 2HD2 LEU 16 3.700 6.536 -3.200
130 H VAL 17 HN VAL 17 5.328 0.677 -5.745
131 HA VAL 17 HA VAL 17 6.519 -0.386 -3.404
132 HB VAL 17 HB VAL 17 5.303 -1.856 -4.868
133 1HG1 VAL 17 1HG1 VAL 17 6.995 -0.550 -6.894
134 2HG1 VAL 17 3HG1 VAL 17 6.809 -2.289 -7.128
135 3HG1 VAL 17 2HG1 VAL 17 5.385 -1.251 -7.053
136 1HG2 VAL 17 3HG2 VAL 17 7.829 -2.436 -3.879
137 2HG2 VAL 17 2HG2 VAL 17 6.676 -3.618 -4.496
138 3HG2 VAL 17 1HG2 VAL 17 7.926 -2.968 -5.558
139 H GLY 18 HN GLY 18 7.909 1.393 -5.929
140 1HA GLY 18 2HA GLY 18 10.510 0.259 -6.085
141 2HA GLY 18 1HA GLY 18 10.131 1.947 -6.431
142 H TRP 19 HN TRP 19 9.483 3.102 -4.066
143 HA TRP 19 HA TRP 19 11.999 2.759 -2.610
144 1HB TRP 19 2HB TRP 19 11.078 4.634 -1.130
145 2HB TRP 19 1HB TRP 19 11.483 5.029 -2.789
146 HD1 TRP 19 HD1 TRP 19 9.713 6.290 -4.074
147 HE1 TRP 19 HE1 TRP 19 7.213 6.814 -3.728
148 HE3 TRP 19 HE3 TRP 19 8.742 3.331 -0.029
149 HZ2 TRP 19 HZ2 TRP 19 5.088 6.077 -1.961
150 HZ3 TRP 19 HZ3 TRP 19 6.470 3.249 0.941
151 HH2 TRP 19 HH2 TRP 19 4.644 4.624 -0.008
152 H TRP 20 HN TRP 20 9.570 0.818 -2.565
153 HA TRP 20 HA TRP 20 9.026 0.667 0.333
154 1HB TRP 20 2HB TRP 20 8.106 -0.725 -2.131
155 2HB TRP 20 1HB TRP 20 8.108 -1.664 -0.641
156 HD1 TRP 20 HD1 TRP 20 7.552 1.755 0.318
157 HE1 TRP 20 HE1 TRP 20 5.037 2.260 0.623
158 HE3 TRP 20 HE3 TRP 20 5.611 -2.299 -1.906
159 HZ2 TRP 20 HZ2 TRP 20 2.510 1.051 0.010
160 HZ3 TRP 20 HZ3 TRP 20 3.152 -2.661 -2.059
161 HH2 TRP 20 HH2 TRP 20 1.597 -0.978 -1.099
162 H ASP 21 HN ASP 21 11.002 -0.789 -2.161
163 HA ASP 21 HA ASP 21 11.899 -3.109 -0.804
164 1HB ASP 21 2HB ASP 21 12.498 -2.921 -3.088
165 2HB ASP 21 1HB ASP 21 13.170 -1.306 -2.868
166 H GLN 22 HN GLN 22 13.430 0.138 -0.886
167 HA GLN 22 HA GLN 22 15.457 -0.518 1.035
168 1HB GLN 22 2HB GLN 22 15.884 1.852 1.145
169 2HB GLN 22 1HB GLN 22 15.465 1.474 -0.527
170 1HG GLN 22 2HG GLN 22 13.127 2.169 -0.088
171 2HG GLN 22 1HG GLN 22 13.575 2.588 1.566
172 1HE2 GLN 22 2HE2 GLN 22 13.924 5.818 -0.039
173 2HE2 GLN 22 1HE2 GLN 22 12.755 4.818 0.701
174 H PHE 23 HN PHE 23 12.118 -0.134 1.420
175 HA PHE 23 HA PHE 23 12.208 0.999 4.116
176 1HB PHE 23 2HB PHE 23 10.220 1.495 2.893
177 2HB PHE 23 1HB PHE 23 9.994 -0.190 2.431
178 HD1 PHE 23 HD2 PHE 23 9.713 2.253 5.182
179 HD2 PHE 23 HD1 PHE 23 9.112 -1.830 3.989
180 HE1 PHE 23 HE2 PHE 23 8.363 1.853 7.223
181 HE2 PHE 23 HE1 PHE 23 7.765 -2.230 6.030
182 HZ PHE 23 HZ PHE 23 7.388 -0.388 7.648
183 H LYS 24 HN LYS 24 12.612 -2.155 2.791
184 HA LYS 24 HA LYS 24 11.454 -3.810 4.702
185 1HB LYS 24 2HB LYS 24 13.451 -5.348 4.350
186 2HB LYS 24 1HB LYS 24 12.526 -4.906 2.918
187 1HG LYS 24 2HG LYS 24 14.288 -2.907 2.842
188 2HG LYS 24 1HG LYS 24 15.272 -4.076 3.730
189 1HD LYS 24 2HD LYS 24 13.937 -5.470 1.646
190 2HD LYS 24 1HD LYS 24 14.678 -4.035 0.941
191 1HE LYS 24 2HE LYS 24 16.575 -5.090 2.755
192 2HE LYS 24 1HE LYS 24 15.954 -6.461 1.836
193 1HZ LYS 24 2HZ LYS 24 16.275 -4.824 -0.150
194 2HZ LYS 24 1HZ LYS 24 17.397 -4.089 0.893
195 3HZ LYS 24 3HZ LYS 24 17.590 -5.715 0.453
196 H ARG 25 HN ARG 25 14.032 -1.595 5.134
197 HA ARG 25 HA ARG 25 14.509 -2.703 7.868
198 1HB ARG 25 2HB ARG 25 16.409 -0.797 6.522
199 2HB ARG 25 1HB ARG 25 16.738 -1.980 7.786
200 1HG ARG 25 2HG ARG 25 17.294 -3.520 6.249
201 2HG ARG 25 1HG ARG 25 15.726 -3.347 5.463
202 1HD ARG 25 2HD ARG 25 18.284 -1.855 4.900
203 2HD ARG 25 1HD ARG 25 17.257 -2.742 3.774
204 HE ARG 25 HE ARG 25 15.577 -0.760 4.579
205 1HH1 ARG 25 1HH2 ARG 25 17.275 1.256 5.394
206 2HH1 ARG 25 2HH2 ARG 25 17.939 1.963 3.959
207 1HH2 ARG 25 1HH1 ARG 25 17.119 -0.734 1.937
208 2HH2 ARG 25 2HH1 ARG 25 17.850 0.835 2.000
209 1HN NH2 26 1H ARG 25 15.086 0.525 6.380
210 2HN NH2 26 2H ARG 25 14.205 1.390 7.555
No H/Q in entry = 210
Start of MODEL 6
1 1H MET 1 2H MET 1 -8.438 -16.060 -12.923
2 2H MET 1 1H MET 1 -7.287 -14.838 -13.185
3 3H MET 1 3H MET 1 -7.033 -16.390 -13.820
4 HA MET 1 HA MET 1 -6.249 -17.215 -11.907
5 1HB MET 1 2HB MET 1 -6.092 -14.223 -11.438
6 2HB MET 1 1HB MET 1 -5.242 -15.413 -10.451
7 1HG MET 1 2HG MET 1 -4.758 -16.032 -13.201
8 2HG MET 1 1HG MET 1 -4.433 -14.316 -12.958
9 1HE MET 1 3HE MET 1 -2.468 -16.789 -13.713
10 2HE MET 1 2HE MET 1 -1.580 -17.500 -12.369
11 3HE MET 1 1HE MET 1 -3.290 -17.868 -12.579
12 HA PRO 2 HA PRO 2 -9.266 -17.481 -8.731
13 1HB PRO 2 2HB PRO 2 -7.691 -18.502 -6.724
14 2HB PRO 2 1HB PRO 2 -8.245 -19.453 -8.112
15 1HG PRO 2 2HG PRO 2 -5.533 -18.343 -7.561
16 2HG PRO 2 1HG PRO 2 -5.992 -19.754 -8.527
17 1HD PRO 2 2HD PRO 2 -5.275 -17.211 -9.543
18 2HD PRO 2 1HD PRO 2 -6.049 -18.523 -10.459
19 H LEU 3 HN LEU 3 -6.610 -16.957 -6.517
20 HA LEU 3 HA LEU 3 -8.008 -14.641 -5.376
21 1HB LEU 3 2HB LEU 3 -5.577 -16.253 -4.616
22 2HB LEU 3 1HB LEU 3 -5.954 -14.736 -3.798
23 HG LEU 3 HG LEU 3 -8.322 -16.393 -4.038
24 1HD1 LEU 3 3HD1 LEU 3 -6.293 -18.073 -3.922
25 2HD1 LEU 3 2HD1 LEU 3 -6.250 -17.591 -2.226
26 3HD1 LEU 3 1HD1 LEU 3 -7.704 -18.329 -2.896
27 1HD2 LEU 3 2HD2 LEU 3 -6.854 -14.764 -2.074
28 2HD2 LEU 3 1HD2 LEU 3 -8.592 -14.945 -2.308
29 3HD2 LEU 3 3HD2 LEU 3 -7.701 -16.139 -1.364
30 H VAL 4 HN VAL 4 -5.162 -15.288 -7.333
31 HA VAL 4 HA VAL 4 -3.857 -12.768 -7.004
32 HB VAL 4 HB VAL 4 -3.865 -14.314 -9.596
33 1HG1 VAL 4 3HG1 VAL 4 -2.257 -12.238 -8.314
34 2HG1 VAL 4 2HG1 VAL 4 -1.281 -13.613 -8.832
35 3HG1 VAL 4 1HG1 VAL 4 -2.283 -12.752 -10.001
36 1HG2 VAL 4 3HG2 VAL 4 -2.830 -15.115 -6.902
37 2HG2 VAL 4 2HG2 VAL 4 -3.498 -16.121 -8.188
38 3HG2 VAL 4 1HG2 VAL 4 -1.852 -15.499 -8.319
39 H ASP 5 HN ASP 5 -6.657 -13.734 -8.857
40 HA ASP 5 HA ASP 5 -6.691 -11.539 -10.703
41 1HB ASP 5 2HB ASP 5 -8.105 -13.480 -11.086
42 2HB ASP 5 1HB ASP 5 -8.950 -13.207 -9.562
43 H PHE 6 HN PHE 6 -8.087 -11.967 -7.463
44 HA PHE 6 HA PHE 6 -9.372 -9.380 -7.421
45 1HB PHE 6 2HB PHE 6 -8.832 -11.568 -5.499
46 2HB PHE 6 1HB PHE 6 -9.008 -9.962 -4.791
47 HD1 PHE 6 HD1 PHE 6 -10.631 -11.560 -7.766
48 HD2 PHE 6 HD2 PHE 6 -11.162 -9.798 -3.885
49 HE1 PHE 6 HE1 PHE 6 -13.092 -11.713 -8.034
50 HE2 PHE 6 HE2 PHE 6 -13.623 -9.951 -4.153
51 HZ PHE 6 HZ PHE 6 -14.587 -10.909 -6.227
52 H PHE 7 HN PHE 7 -6.228 -10.596 -6.310
53 HA PHE 7 HA PHE 7 -5.294 -8.410 -4.852
54 1HB PHE 7 2HB PHE 7 -4.104 -10.639 -5.480
55 2HB PHE 7 1HB PHE 7 -3.524 -9.749 -6.889
56 HD1 PHE 7 HD1 PHE 7 -3.737 -9.557 -3.159
57 HD2 PHE 7 HD2 PHE 7 -1.664 -8.321 -6.712
58 HE1 PHE 7 HE1 PHE 7 -1.989 -8.483 -1.767
59 HE2 PHE 7 HE2 PHE 7 0.085 -7.248 -5.319
60 HZ PHE 7 HZ PHE 7 -0.079 -7.328 -2.846
61 H CYS 8 HN CYS 8 -5.002 -8.839 -8.400
62 HA CYS 8 HA CYS 8 -4.022 -6.118 -8.738
63 1HB CYS 8 2HB CYS 8 -3.915 -8.398 -10.272
64 2HB CYS 8 1HB CYS 8 -5.143 -7.450 -11.112
65 HG CYS 8 HG CYS 8 -3.391 -5.491 -11.314
66 H GLU 9 HN GLU 9 -7.146 -7.559 -8.497
67 HA GLU 9 HA GLU 9 -8.465 -5.402 -9.988
68 1HB GLU 9 2HB GLU 9 -10.360 -6.681 -9.867
69 2HB GLU 9 1HB GLU 9 -9.211 -7.959 -9.488
70 1HG GLU 9 2HG GLU 9 -9.561 -7.553 -7.072
71 2HG GLU 9 1HG GLU 9 -10.718 -6.281 -7.458
72 H THR 10 HN THR 10 -6.872 -5.349 -7.190
73 HA THR 10 HA THR 10 -8.577 -3.179 -6.126
74 HB THR 10 HB THR 10 -9.277 -5.262 -4.940
75 HG1 THR 10 HG1 THR 10 -9.544 -3.918 -3.374
76 1HG2 THR 10 2HG2 THR 10 -6.958 -6.303 -5.142
77 2HG2 THR 10 1HG2 THR 10 -6.478 -5.268 -3.797
78 3HG2 THR 10 3HG2 THR 10 -7.741 -6.478 -3.572
79 H CYS 11 HN CYS 11 -6.131 -2.881 -7.447
80 HA CYS 11 HA CYS 11 -4.148 -2.497 -5.257
81 1HB CYS 11 2HB CYS 11 -3.077 -1.612 -7.754
82 2HB CYS 11 1HB CYS 11 -2.587 -2.999 -6.791
83 HG CYS 11 HG CYS 11 -4.592 -4.313 -8.121
84 H SER 12 HN SER 12 -3.295 -0.428 -4.806
85 HA SER 12 HA SER 12 -4.645 1.858 -6.166
86 1HB SER 12 2HB SER 12 -4.338 1.487 -3.175
87 2HB SER 12 1HB SER 12 -4.884 2.972 -3.946
88 HG SER 12 HG SER 12 -6.625 1.801 -4.812
89 H LYS 13 HN LYS 13 -1.756 0.449 -5.284
90 HA LYS 13 HA LYS 13 -0.259 2.790 -6.065
91 1HB LYS 13 2HB LYS 13 0.805 3.381 -4.043
92 2HB LYS 13 1HB LYS 13 -0.899 3.241 -3.628
93 1HG LYS 13 2HG LYS 13 1.333 1.303 -3.024
94 2HG LYS 13 1HG LYS 13 0.241 2.097 -1.907
95 1HD LYS 13 2HD LYS 13 -0.594 0.031 -3.952
96 2HD LYS 13 1HD LYS 13 -0.356 -0.281 -2.234
97 1HE LYS 13 2HE LYS 13 -2.045 2.017 -2.522
98 2HE LYS 13 1HE LYS 13 -2.695 0.705 -3.501
99 1HZ LYS 13 1HZ LYS 13 -2.022 -0.592 -1.269
100 2HZ LYS 13 3HZ LYS 13 -2.453 0.918 -0.627
101 3HZ LYS 13 2HZ LYS 13 -3.570 0.045 -1.563
102 HA PRO 14 HA PRO 14 1.744 -1.439 -6.373
103 1HB PRO 14 2HB PRO 14 1.441 -1.695 -9.099
104 2HB PRO 14 1HB PRO 14 0.285 -2.334 -7.918
105 1HG PRO 14 2HG PRO 14 0.065 0.103 -9.640
106 2HG PRO 14 1HG PRO 14 -1.217 -0.954 -9.023
107 1HD PRO 14 2HD PRO 14 -0.560 1.554 -7.943
108 2HD PRO 14 1HD PRO 14 -1.464 0.282 -7.098
109 H TRP 15 HN TRP 15 2.161 1.727 -7.305
110 HA TRP 15 HA TRP 15 4.703 1.210 -8.766
111 1HB TRP 15 2HB TRP 15 4.331 3.992 -8.501
112 2HB TRP 15 1HB TRP 15 4.099 3.029 -9.951
113 HD1 TRP 15 HD1 TRP 15 2.207 4.839 -7.218
114 HE1 TRP 15 HE1 TRP 15 -0.316 4.773 -7.768
115 HE3 TRP 15 HE3 TRP 15 2.273 1.556 -11.081
116 HZ2 TRP 15 HZ2 TRP 15 -2.077 3.473 -9.631
117 HZ3 TRP 15 HZ3 TRP 15 0.172 0.905 -12.245
118 HH2 TRP 15 HH2 TRP 15 -2.001 1.861 -11.520
119 H LEU 16 HN LEU 16 3.373 2.604 -5.823
120 HA LEU 16 HA LEU 16 5.727 3.855 -4.831
121 1HB LEU 16 2HB LEU 16 3.621 2.460 -3.178
122 2HB LEU 16 1HB LEU 16 4.675 3.768 -2.673
123 HG LEU 16 HG LEU 16 2.511 3.934 -4.781
124 1HD1 LEU 16 1HD1 LEU 16 1.776 3.911 -2.379
125 2HD1 LEU 16 3HD1 LEU 16 2.785 5.330 -2.101
126 3HD1 LEU 16 2HD1 LEU 16 1.413 5.426 -3.205
127 1HD2 LEU 16 1HD2 LEU 16 4.466 6.020 -3.760
128 2HD2 LEU 16 3HD2 LEU 16 4.460 5.310 -5.374
129 3HD2 LEU 16 2HD2 LEU 16 3.124 6.339 -4.859
130 H VAL 17 HN VAL 17 5.026 0.574 -5.316
131 HA VAL 17 HA VAL 17 6.403 -0.629 -3.159
132 HB VAL 17 HB VAL 17 5.049 -1.934 -4.742
133 1HG1 VAL 17 2HG1 VAL 17 5.791 -0.568 -6.746
134 2HG1 VAL 17 1HG1 VAL 17 7.291 -1.496 -6.730
135 3HG1 VAL 17 3HG1 VAL 17 5.752 -2.311 -7.011
136 1HG2 VAL 17 3HG2 VAL 17 7.163 -2.854 -3.487
137 2HG2 VAL 17 2HG2 VAL 17 6.404 -3.846 -4.733
138 3HG2 VAL 17 1HG2 VAL 17 7.864 -2.929 -5.104
139 H GLY 18 HN GLY 18 7.592 1.317 -5.671
140 1HA GLY 18 2HA GLY 18 10.199 0.201 -6.025
141 2HA GLY 18 1HA GLY 18 9.770 1.884 -6.337
142 H TRP 19 HN TRP 19 9.192 2.965 -3.902
143 HA TRP 19 HA TRP 19 11.804 2.705 -2.593
144 1HB TRP 19 2HB TRP 19 10.885 4.525 -1.044
145 2HB TRP 19 1HB TRP 19 11.191 4.955 -2.717
146 HD1 TRP 19 HD1 TRP 19 9.317 6.145 -3.909
147 HE1 TRP 19 HE1 TRP 19 6.815 6.553 -3.451
148 HE3 TRP 19 HE3 TRP 19 8.659 3.125 0.153
149 HZ2 TRP 19 HZ2 TRP 19 4.803 5.715 -1.608
150 HZ3 TRP 19 HZ3 TRP 19 6.438 2.938 1.225
151 HH2 TRP 19 HH2 TRP 19 4.512 4.235 0.362
152 H TRP 20 HN TRP 20 9.427 0.702 -2.464
153 HA TRP 20 HA TRP 20 9.021 0.502 0.448
154 1HB TRP 20 2HB TRP 20 8.037 -0.932 -1.969
155 2HB TRP 20 1HB TRP 20 8.125 -1.853 -0.472
156 HD1 TRP 20 HD1 TRP 20 7.499 1.378 0.758
157 HE1 TRP 20 HE1 TRP 20 4.992 1.864 1.058
158 HE3 TRP 20 HE3 TRP 20 5.567 -2.334 -2.039
159 HZ2 TRP 20 HZ2 TRP 20 2.470 0.800 0.220
160 HZ3 TRP 20 HZ3 TRP 20 3.112 -2.619 -2.304
161 HH2 TRP 20 HH2 TRP 20 1.559 -1.047 -1.171
162 H ASP 21 HN ASP 21 10.877 -0.953 -2.150
163 HA ASP 21 HA ASP 21 11.949 -3.198 -0.799
164 1HB ASP 21 2HB ASP 21 12.412 -3.052 -3.115
165 2HB ASP 21 1HB ASP 21 13.018 -1.401 -2.981
166 H GLN 22 HN GLN 22 13.428 0.052 -1.128
167 HA GLN 22 HA GLN 22 15.431 -0.511 0.896
168 1HB GLN 22 2HB GLN 22 16.086 1.790 0.627
169 2HB GLN 22 1HB GLN 22 15.658 1.190 -0.976
170 1HG GLN 22 2HG GLN 22 13.481 2.234 -0.860
171 2HG GLN 22 1HG GLN 22 13.734 2.678 0.828
172 1HE2 GLN 22 2HE2 GLN 22 14.624 5.524 -1.586
173 2HE2 GLN 22 1HE2 GLN 22 13.279 4.474 -1.558
174 H PHE 23 HN PHE 23 12.155 0.030 1.109
175 HA PHE 23 HA PHE 23 12.191 1.659 3.555
176 1HB PHE 23 2HB PHE 23 10.282 2.010 2.149
177 2HB PHE 23 1HB PHE 23 10.004 0.274 1.991
178 HD1 PHE 23 HD1 PHE 23 10.227 2.950 4.610
179 HD2 PHE 23 HD2 PHE 23 8.489 -0.790 3.413
180 HE1 PHE 23 HE1 PHE 23 8.809 2.959 6.643
181 HE2 PHE 23 HE2 PHE 23 7.067 -0.779 5.442
182 HZ PHE 23 HZ PHE 23 7.222 1.097 7.057
183 H LYS 24 HN LYS 24 12.633 -1.625 2.813
184 HA LYS 24 HA LYS 24 11.240 -2.938 4.869
185 1HB LYS 24 2HB LYS 24 13.114 -4.633 4.747
186 2HB LYS 24 1HB LYS 24 12.348 -4.247 3.205
187 1HG LYS 24 2HG LYS 24 14.321 -3.567 2.377
188 2HG LYS 24 1HG LYS 24 14.458 -2.366 3.665
189 1HD LYS 24 2HD LYS 24 15.547 -3.888 5.116
190 2HD LYS 24 1HD LYS 24 15.105 -5.270 4.117
191 1HE LYS 24 2HE LYS 24 16.649 -3.202 2.693
192 2HE LYS 24 1HE LYS 24 17.533 -3.992 3.999
193 1HZ LYS 24 1HZ LYS 24 16.786 -6.145 3.024
194 2HZ LYS 24 3HZ LYS 24 16.200 -5.283 1.686
195 3HZ LYS 24 2HZ LYS 24 17.860 -5.264 2.046
196 H ARG 25 HN ARG 25 13.768 -0.679 5.150
197 HA ARG 25 HA ARG 25 14.214 -1.523 7.980
198 1HB ARG 25 2HB ARG 25 16.050 0.378 6.546
199 2HB ARG 25 1HB ARG 25 16.404 -0.702 7.893
200 1HG ARG 25 2HG ARG 25 16.864 -2.459 6.523
201 2HG ARG 25 1HG ARG 25 15.552 -2.067 5.413
202 1HD ARG 25 2HD ARG 25 18.037 -0.368 5.568
203 2HD ARG 25 1HD ARG 25 17.952 -1.788 4.525
204 HE ARG 25 HE ARG 25 15.658 -0.206 4.005
205 1HH1 ARG 25 1HH1 ARG 25 17.866 -1.183 2.080
206 2HH1 ARG 25 2HH1 ARG 25 18.406 0.330 1.431
207 1HH2 ARG 25 1HH2 ARG 25 16.873 2.234 3.891
208 2HH2 ARG 25 2HH2 ARG 25 17.844 2.266 2.457
209 1HN NH2 26 1H ARG 25 14.619 1.576 6.185
210 2HN NH2 26 2H ARG 25 13.680 2.498 7.273
No H/Q in entry = 210
Start of MODEL 7
1 1H MET 1 1H MET 1 -7.146 -15.122 5.794
2 2H MET 1 3H MET 1 -8.050 -13.743 5.397
3 3H MET 1 2H MET 1 -8.839 -15.150 5.930
4 HA MET 1 HA MET 1 -8.430 -16.299 3.964
5 1HB MET 1 2HB MET 1 -9.423 -13.543 3.804
6 2HB MET 1 1HB MET 1 -8.830 -14.157 2.261
7 1HG MET 1 2HG MET 1 -10.625 -15.498 2.030
8 2HG MET 1 1HG MET 1 -10.379 -16.183 3.636
9 1HE MET 1 2HE MET 1 -11.005 -15.106 5.779
10 2HE MET 1 1HE MET 1 -12.665 -14.543 5.952
11 3HE MET 1 3HE MET 1 -12.334 -16.118 5.221
12 HA PRO 2 HA PRO 2 -4.468 -15.849 2.127
13 1HB PRO 2 2HB PRO 2 -4.966 -17.091 -0.271
14 2HB PRO 2 1HB PRO 2 -4.792 -17.958 1.263
15 1HG PRO 2 2HG PRO 2 -7.268 -17.382 -0.293
16 2HG PRO 2 1HG PRO 2 -6.933 -18.710 0.829
17 1HD PRO 2 2HD PRO 2 -8.452 -16.394 1.409
18 2HD PRO 2 1HD PRO 2 -7.830 -17.560 2.598
19 H LEU 3 HN LEU 3 -7.247 -14.927 0.120
20 HA LEU 3 HA LEU 3 -5.803 -13.474 -1.866
21 1HB LEU 3 2HB LEU 3 -8.611 -13.663 -0.951
22 2HB LEU 3 1HB LEU 3 -8.183 -12.147 -1.746
23 HG LEU 3 HG LEU 3 -7.276 -14.710 -2.999
24 1HD1 LEU 3 2HD1 LEU 3 -10.048 -14.038 -2.469
25 2HD1 LEU 3 1HD1 LEU 3 -9.732 -14.061 -4.205
26 3HD1 LEU 3 3HD1 LEU 3 -9.380 -15.485 -3.225
27 1HD2 LEU 3 3HD2 LEU 3 -8.073 -11.936 -3.889
28 2HD2 LEU 3 2HD2 LEU 3 -6.525 -12.753 -4.102
29 3HD2 LEU 3 1HD2 LEU 3 -7.927 -13.261 -5.043
30 H VAL 4 HN VAL 4 -7.105 -12.525 1.287
31 HA VAL 4 HA VAL 4 -6.676 -9.731 1.109
32 HB VAL 4 HB VAL 4 -6.137 -11.279 3.638
33 1HG1 VAL 4 1HG1 VAL 4 -6.798 -8.544 2.855
34 2HG1 VAL 4 3HG1 VAL 4 -7.896 -9.167 4.085
35 3HG1 VAL 4 2HG1 VAL 4 -6.158 -9.147 4.384
36 1HG2 VAL 4 2HG2 VAL 4 -8.732 -10.965 2.133
37 2HG2 VAL 4 1HG2 VAL 4 -8.070 -12.410 2.899
38 3HG2 VAL 4 3HG2 VAL 4 -8.724 -11.106 3.891
39 H ASP 5 HN ASP 5 -4.432 -12.367 1.427
40 HA ASP 5 HA ASP 5 -2.211 -10.894 2.505
41 1HB ASP 5 2HB ASP 5 -2.613 -13.505 2.046
42 2HB ASP 5 1HB ASP 5 -1.717 -13.117 0.576
43 H PHE 6 HN PHE 6 -3.338 -11.501 -0.806
44 HA PHE 6 HA PHE 6 -1.078 -10.111 -2.013
45 1HB PHE 6 2HB PHE 6 -3.457 -11.560 -2.922
46 2HB PHE 6 1HB PHE 6 -3.108 -10.137 -3.905
47 HD1 PHE 6 HD2 PHE 6 -0.717 -9.830 -4.786
48 HD2 PHE 6 HD1 PHE 6 -2.167 -13.527 -3.145
49 HE1 PHE 6 HE2 PHE 6 1.137 -11.050 -5.895
50 HE2 PHE 6 HE1 PHE 6 -0.313 -14.746 -4.255
51 HZ PHE 6 HZ PHE 6 1.339 -13.506 -5.629
52 H PHE 7 HN PHE 7 -4.216 -9.225 -0.779
53 HA PHE 7 HA PHE 7 -4.600 -6.774 -2.185
54 1HB PHE 7 2HB PHE 7 -6.152 -8.069 -0.494
55 2HB PHE 7 1HB PHE 7 -5.367 -7.044 0.707
56 HD1 PHE 7 HD2 PHE 7 -5.537 -4.565 0.550
57 HD2 PHE 7 HD1 PHE 7 -7.698 -7.162 -2.102
58 HE1 PHE 7 HE2 PHE 7 -7.005 -2.676 -0.104
59 HE2 PHE 7 HE1 PHE 7 -9.166 -5.274 -2.756
60 HZ PHE 7 HZ PHE 7 -8.820 -3.031 -1.757
61 H CYS 8 HN CYS 8 -3.285 -7.218 1.124
62 HA CYS 8 HA CYS 8 -2.317 -4.533 1.338
63 1HB CYS 8 2HB CYS 8 -2.646 -6.355 3.181
64 2HB CYS 8 1HB CYS 8 -1.010 -6.852 2.748
65 HG CYS 8 HG CYS 8 -1.234 -3.849 3.297
66 H GLU 9 HN GLU 9 -1.091 -7.315 -0.314
67 HA GLU 9 HA GLU 9 1.689 -6.552 -0.361
68 1HB GLU 9 2HB GLU 9 0.866 -8.850 -0.870
69 2HB GLU 9 1HB GLU 9 0.129 -8.230 -2.349
70 1HG GLU 9 2HG GLU 9 2.090 -8.333 -3.432
71 2HG GLU 9 1HG GLU 9 2.873 -7.365 -2.183
72 H THR 10 HN THR 10 -1.122 -5.760 -2.337
73 HA THR 10 HA THR 10 0.473 -3.620 -3.624
74 HB THR 10 HB THR 10 0.583 -5.581 -5.158
75 HG1 THR 10 HG1 THR 10 0.425 -4.192 -6.707
76 1HG2 THR 10 2HG2 THR 10 -1.993 -6.053 -4.295
77 2HG2 THR 10 1HG2 THR 10 -2.248 -5.399 -5.912
78 3HG2 THR 10 3HG2 THR 10 -1.234 -6.824 -5.688
79 H CYS 11 HN CYS 11 -1.058 -2.607 -1.937
80 HA CYS 11 HA CYS 11 -3.892 -2.536 -2.587
81 1HB CYS 11 2HB CYS 11 -2.130 -1.007 -0.675
82 2HB CYS 11 1HB CYS 11 -3.826 -0.584 -0.903
83 HG CYS 11 HG CYS 11 -4.539 -2.834 0.078
84 H SER 12 HN SER 12 -2.951 0.637 -1.964
85 HA SER 12 HA SER 12 -3.468 1.343 -4.796
86 1HB SER 12 2HB SER 12 -3.341 3.138 -2.357
87 2HB SER 12 1HB SER 12 -3.914 3.590 -3.960
88 HG SER 12 HG SER 12 -5.408 1.691 -3.587
89 H LYS 13 HN LYS 13 -0.823 0.418 -3.405
90 HA LYS 13 HA LYS 13 0.822 2.624 -4.579
91 1HB LYS 13 2HB LYS 13 1.375 1.031 -2.062
92 2HB LYS 13 1HB LYS 13 2.545 2.090 -2.837
93 1HG LYS 13 2HG LYS 13 1.675 3.814 -1.700
94 2HG LYS 13 1HG LYS 13 0.178 3.601 -2.609
95 1HD LYS 13 2HD LYS 13 0.913 2.304 0.031
96 2HD LYS 13 1HD LYS 13 -0.375 3.475 -0.257
97 1HE LYS 13 2HE LYS 13 -1.436 1.818 -1.821
98 2HE LYS 13 1HE LYS 13 -0.225 0.640 -1.324
99 1HZ LYS 13 3HZ LYS 13 -1.614 1.998 0.829
100 2HZ LYS 13 2HZ LYS 13 -2.573 0.954 -0.108
101 3HZ LYS 13 1HZ LYS 13 -1.184 0.365 0.672
102 HA PRO 14 HA PRO 14 2.005 -1.621 -6.142
103 1HB PRO 14 2HB PRO 14 0.951 -1.435 -8.679
104 2HB PRO 14 1HB PRO 14 0.075 -2.140 -7.309
105 1HG PRO 14 2HG PRO 14 -0.313 0.507 -8.617
106 2HG PRO 14 1HG PRO 14 -1.479 -0.482 -7.730
107 1HD PRO 14 2HD PRO 14 -0.134 1.800 -6.733
108 2HD PRO 14 1HD PRO 14 -1.043 0.611 -5.778
109 H TRP 15 HN TRP 15 2.093 1.655 -7.217
110 HA TRP 15 HA TRP 15 4.404 1.136 -9.016
111 1HB TRP 15 2HB TRP 15 3.920 3.909 -8.913
112 2HB TRP 15 1HB TRP 15 3.507 2.815 -10.221
113 HD1 TRP 15 HD1 TRP 15 1.984 4.825 -7.411
114 HE1 TRP 15 HE1 TRP 15 -0.588 4.607 -7.524
115 HE3 TRP 15 HE3 TRP 15 1.599 1.127 -10.849
116 HZ2 TRP 15 HZ2 TRP 15 -2.556 3.045 -8.922
117 HZ3 TRP 15 HZ3 TRP 15 -0.622 0.274 -11.581
118 HH2 TRP 15 HH2 TRP 15 -2.700 1.231 -10.614
119 H LEU 16 HN LEU 16 3.505 2.543 -5.947
120 HA LEU 16 HA LEU 16 6.004 3.942 -5.506
121 1HB LEU 16 2HB LEU 16 4.032 2.947 -3.450
122 2HB LEU 16 1HB LEU 16 5.236 4.206 -3.242
123 HG LEU 16 HG LEU 16 3.034 4.363 -5.301
124 1HD1 LEU 16 3HD1 LEU 16 3.033 4.872 -2.404
125 2HD1 LEU 16 2HD1 LEU 16 2.476 6.241 -3.366
126 3HD1 LEU 16 1HD1 LEU 16 1.674 4.676 -3.511
127 1HD2 LEU 16 3HD2 LEU 16 5.078 5.717 -5.696
128 2HD2 LEU 16 2HD2 LEU 16 3.683 6.736 -5.343
129 3HD2 LEU 16 1HD2 LEU 16 4.896 6.437 -4.097
130 H VAL 17 HN VAL 17 5.285 0.692 -5.657
131 HA VAL 17 HA VAL 17 6.586 -0.454 -3.468
132 HB VAL 17 HB VAL 17 5.440 -1.869 -5.041
133 1HG1 VAL 17 1HG1 VAL 17 6.144 -0.273 -6.986
134 2HG1 VAL 17 3HG1 VAL 17 7.552 -1.325 -7.118
135 3HG1 VAL 17 2HG1 VAL 17 5.932 -1.989 -7.335
136 1HG2 VAL 17 2HG2 VAL 17 7.888 -2.464 -3.989
137 2HG2 VAL 17 1HG2 VAL 17 6.900 -3.618 -4.886
138 3HG2 VAL 17 3HG2 VAL 17 8.190 -2.740 -5.705
139 H GLY 18 HN GLY 18 7.942 1.463 -5.944
140 1HA GLY 18 2HA GLY 18 10.557 0.458 -6.170
141 2HA GLY 18 1HA GLY 18 10.148 2.166 -6.324
142 H TRP 19 HN TRP 19 9.716 3.230 -3.988
143 HA TRP 19 HA TRP 19 12.178 2.702 -2.546
144 1HB TRP 19 2HB TRP 19 11.160 4.395 -0.862
145 2HB TRP 19 1HB TRP 19 11.686 4.957 -2.437
146 HD1 TRP 19 HD1 TRP 19 9.986 6.231 -3.827
147 HE1 TRP 19 HE1 TRP 19 7.475 6.759 -3.594
148 HE3 TRP 19 HE3 TRP 19 8.802 3.157 0.068
149 HZ2 TRP 19 HZ2 TRP 19 5.256 5.981 -1.964
150 HZ3 TRP 19 HZ3 TRP 19 6.486 3.058 0.925
151 HH2 TRP 19 HH2 TRP 19 4.712 4.470 -0.073
152 H TRP 20 HN TRP 20 9.451 0.944 -2.566
153 HA TRP 20 HA TRP 20 9.065 0.506 0.288
154 1HB TRP 20 2HB TRP 20 8.164 -0.793 -2.235
155 2HB TRP 20 1HB TRP 20 8.175 -1.782 -0.777
156 HD1 TRP 20 HD1 TRP 20 7.576 1.534 0.398
157 HE1 TRP 20 HE1 TRP 20 5.062 2.019 0.684
158 HE3 TRP 20 HE3 TRP 20 5.654 -2.317 -2.212
159 HZ2 TRP 20 HZ2 TRP 20 2.547 0.896 -0.085
160 HZ3 TRP 20 HZ3 TRP 20 3.201 -2.634 -2.447
161 HH2 TRP 20 HH2 TRP 20 1.641 -1.022 -1.381
162 H ASP 21 HN ASP 21 11.038 -0.804 -2.289
163 HA ASP 21 HA ASP 21 12.006 -3.160 -1.065
164 1HB ASP 21 2HB ASP 21 12.599 -2.774 -3.338
165 2HB ASP 21 1HB ASP 21 13.272 -1.186 -2.977
166 H GLN 22 HN GLN 22 13.000 0.212 -0.640
167 HA GLN 22 HA GLN 22 15.088 -0.610 1.293
168 1HB GLN 22 2HB GLN 22 15.681 1.761 1.352
169 2HB GLN 22 1HB GLN 22 15.527 1.241 -0.326
170 1HG GLN 22 2HG GLN 22 13.241 2.150 -0.412
171 2HG GLN 22 1HG GLN 22 13.370 2.651 1.274
172 1HE2 GLN 22 1HE2 GLN 22 12.883 4.820 -0.076
173 2HE2 GLN 22 2HE2 GLN 22 14.272 5.706 -0.516
174 H PHE 23 HN PHE 23 11.790 0.111 1.303
175 HA PHE 23 HA PHE 23 11.730 1.367 3.954
176 1HB PHE 23 2HB PHE 23 10.007 2.068 2.441
177 2HB PHE 23 1HB PHE 23 9.575 0.400 2.062
178 HD1 PHE 23 HD2 PHE 23 9.705 2.860 4.875
179 HD2 PHE 23 HD1 PHE 23 7.961 -0.749 3.335
180 HE1 PHE 23 HE2 PHE 23 8.097 2.832 6.762
181 HE2 PHE 23 HE1 PHE 23 6.353 -0.779 5.222
182 HZ PHE 23 HZ PHE 23 6.419 1.013 6.936
183 H LYS 24 HN LYS 24 11.537 -1.885 2.657
184 HA LYS 24 HA LYS 24 10.030 -3.250 4.514
185 1HB LYS 24 2HB LYS 24 11.805 -5.105 4.367
186 2HB LYS 24 1HB LYS 24 11.033 -4.594 2.869
187 1HG LYS 24 2HG LYS 24 13.102 -2.858 2.920
188 2HG LYS 24 1HG LYS 24 13.829 -4.217 3.779
189 1HD LYS 24 2HD LYS 24 12.842 -5.670 1.884
190 2HD LYS 24 1HD LYS 24 12.688 -4.154 0.999
191 1HE LYS 24 2HE LYS 24 15.191 -3.799 1.692
192 2HE LYS 24 1HE LYS 24 15.184 -5.544 1.945
193 1HZ LYS 24 1HZ LYS 24 13.949 -5.235 -0.454
194 2HZ LYS 24 3HZ LYS 24 15.165 -4.053 -0.504
195 3HZ LYS 24 2HZ LYS 24 15.573 -5.680 -0.227
196 H ARG 25 HN ARG 25 13.008 -1.615 5.096
197 HA ARG 25 HA ARG 25 12.929 -2.570 7.927
198 1HB ARG 25 2HB ARG 25 15.444 -1.313 7.088
199 2HB ARG 25 1HB ARG 25 15.183 -2.824 7.948
200 1HG ARG 25 2HG ARG 25 15.869 -3.831 6.047
201 2HG ARG 25 1HG ARG 25 14.294 -3.410 5.387
202 1HD ARG 25 2HD ARG 25 16.946 -2.120 4.939
203 2HD ARG 25 1HD ARG 25 15.634 -2.408 3.798
204 HE ARG 25 HE ARG 25 14.456 -0.507 5.171
205 1HH1 ARG 25 1HH2 ARG 25 17.121 -0.349 3.252
206 2HH1 ARG 25 2HH2 ARG 25 17.760 1.123 3.904
207 1HH2 ARG 25 1HH1 ARG 25 15.573 1.193 6.593
208 2HH2 ARG 25 2HH1 ARG 25 16.884 1.996 5.795
209 1HN NH2 26 1H ARG 25 14.953 -0.402 8.586
210 2HN NH2 26 2H ARG 25 14.049 1.044 8.616
No H/Q in entry = 210
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