NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
594452 |
2n31   |
25632 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H MET 1 1H MET 1 -2.843 -3.392 -9.872
2 HA MET 1 HA MET 1 -0.705 -2.937 -8.961
3 HB2 MET 1 2HB MET 1 -0.942 -2.807 -11.991
4 HB3 MET 1 3HB MET 1 0.561 -3.117 -11.133
5 HG2 MET 1 2HG MET 1 -0.387 -5.171 -10.179
6 HG3 MET 1 3HG MET 1 -1.922 -4.853 -10.991
7 HE1 MET 1 3HE MET 1 1.738 -6.084 -11.300
8 HE2 MET 1 1HE MET 1 2.030 -6.057 -13.056
9 HE3 MET 1 2HE MET 1 1.869 -4.529 -12.156
10 H ALA 2 H ALA 2 1.235 -1.688 -9.067
11 HA ALA 2 HA ALA 2 2.413 0.280 -9.024
12 HB1 ALA 2 3HB ALA 2 0.501 1.079 -11.249
13 HB2 ALA 2 1HB ALA 2 2.001 1.933 -10.818
14 HB3 ALA 2 2HB ALA 2 2.073 0.272 -11.454
15 H THR 3 H THR 3 0.300 -0.063 -7.180
16 HA THR 3 HA THR 3 -0.593 2.763 -6.828
17 HB THR 3 HB THR 3 -2.285 0.266 -6.378
18 HG1 THR 3 HG1 THR 3 -2.124 2.226 -8.385
19 HG21 THR 3 3HG2 THR 3 -2.918 3.209 -5.940
20 HG22 THR 3 1HG2 THR 3 -4.064 1.859 -5.772
21 HG23 THR 3 2HG2 THR 3 -2.681 1.997 -4.660
22 H THR 4 H THR 4 -0.428 3.599 -4.833
23 HA THR 4 HA THR 4 0.659 1.882 -2.693
24 HB THR 4 HB THR 4 0.054 4.871 -2.727
25 HG1 THR 4 HG1 THR 4 2.652 3.860 -2.601
26 HG21 THR 4 3HG2 THR 4 1.581 3.158 -0.729
27 HG22 THR 4 1HG2 THR 4 1.426 4.929 -0.681
28 HG23 THR 4 2HG2 THR 4 -0.011 3.903 -0.455
29 H VAL 5 H VAL 5 -0.560 0.846 -1.306
30 HA VAL 5 HA VAL 5 -3.381 1.763 -0.976
31 HB VAL 5 HB VAL 5 -2.152 -0.985 -0.494
32 HG11 VAL 5 1HG1 VAL 5 -4.463 -1.743 -0.221
33 HG12 VAL 5 2HG1 VAL 5 -4.004 -0.546 1.013
34 HG13 VAL 5 3HG1 VAL 5 -5.029 -0.062 -0.359
35 HG21 VAL 5 3HG2 VAL 5 -2.272 -0.377 -2.885
36 HG22 VAL 5 1HG2 VAL 5 -3.461 -1.640 -2.489
37 HG23 VAL 5 2HG2 VAL 5 -3.989 0.048 -2.694
38 H SER 6 H SER 6 -3.811 2.791 0.840
39 HA SER 6 HA SER 6 -2.001 2.660 3.118
40 HB2 SER 6 2HB SER 6 -3.089 4.757 2.575
41 HB3 SER 6 3HB SER 6 -4.679 4.019 2.689
42 HG SER 6 HG SER 6 -3.756 3.427 4.910
43 H THR 7 H THR 7 -1.979 1.071 4.528
44 HA THR 7 HA THR 7 -4.605 -0.114 5.326
45 HB THR 7 HB THR 7 -3.540 -2.262 5.658
46 HG1 THR 7 HG1 THR 7 -1.129 -0.884 4.983
47 HG21 THR 7 3HG2 THR 7 -2.635 -1.065 3.011
48 HG22 THR 7 1HG2 THR 7 -2.808 -2.799 3.368
49 HG23 THR 7 2HG2 THR 7 -4.243 -1.747 3.346
50 H GLN 8 H GLN 8 -4.167 -1.446 7.489
51 HA GLN 8 HA GLN 8 -3.618 0.591 9.465
52 HB2 GLN 8 2HB GLN 8 -4.232 -1.072 11.095
53 HB3 GLN 8 3HB GLN 8 -5.322 -1.244 9.727
54 HG2 GLN 8 2HG GLN 8 -2.852 -2.933 9.838
55 HG3 GLN 8 3HG GLN 8 -4.261 -3.339 10.857
56 HE21 GLN 8 1HE2 GLN 8 -4.654 -5.276 9.756
57 HE22 GLN 8 2HE2 GLN 8 -5.314 -5.304 8.155
58 H ARG 9 H ARG 9 -1.635 -1.551 7.745
59 HA ARG 9 HA ARG 9 0.458 -1.451 9.865
60 HB2 ARG 9 2HB ARG 9 0.247 -3.130 7.343
61 HB3 ARG 9 3HB ARG 9 1.638 -3.128 8.417
62 HG2 ARG 9 2HG ARG 9 0.243 -3.978 10.249
63 HG3 ARG 9 3HG ARG 9 -1.173 -3.968 9.170
64 HD2 ARG 9 2HD ARG 9 -0.290 -6.174 9.283
65 HD3 ARG 9 3HD ARG 9 0.037 -5.506 7.667
66 HE ARG 9 HE ARG 9 2.231 -5.058 9.461
67 HH11 ARG 9 1HH1 ARG 9 0.686 -7.500 7.463
68 HH12 ARG 9 2HH1 ARG 9 2.157 -8.417 7.227
69 HH21 ARG 9 1HH2 ARG 9 4.134 -6.257 9.147
70 HH22 ARG 9 2HH2 ARG 9 4.109 -7.714 8.179
71 H GLY 10 H GLY 10 -0.555 0.524 7.577
72 HA2 GLY 10 2HA GLY 10 0.877 2.429 6.978
73 HA3 GLY 10 3HA GLY 10 2.218 1.318 6.779
74 HA PRO 11 HA PRO 11 0.205 2.085 2.678
75 HB2 PRO 11 2HB PRO 11 2.442 2.974 1.346
76 HB3 PRO 11 3HB PRO 11 1.412 4.054 2.296
77 HG2 PRO 11 2HG PRO 11 4.009 2.681 3.111
78 HG3 PRO 11 3HG PRO 11 3.555 4.375 3.319
79 HD2 PRO 11 2HD PRO 11 3.287 2.589 5.354
80 HD3 PRO 11 3HD PRO 11 2.089 3.923 5.112
81 H VAL 12 H VAL 12 0.231 0.613 1.003
82 HA VAL 12 HA VAL 12 2.406 -1.438 1.065
83 HB VAL 12 HB VAL 12 -0.519 -1.798 0.281
84 HG11 VAL 12 1HG1 VAL 12 0.030 -4.178 0.129
85 HG12 VAL 12 2HG1 VAL 12 0.953 -3.205 -1.040
86 HG13 VAL 12 3HG1 VAL 12 1.741 -3.802 0.440
87 HG21 VAL 12 3HG2 VAL 12 -0.191 -1.526 2.715
88 HG22 VAL 12 1HG2 VAL 12 -0.628 -3.204 2.314
89 HG23 VAL 12 2HG2 VAL 12 1.062 -2.790 2.689
90 H TYR 13 H TYR 13 3.452 -1.902 -0.781
91 HA TYR 13 HA TYR 13 2.714 -0.180 -3.104
92 HB2 TYR 13 2HB TYR 13 5.434 -1.333 -2.365
93 HB3 TYR 13 3HB TYR 13 5.099 -0.245 -3.705
94 HD1 TYR 13 HD1 TYR 13 4.789 -0.461 0.018
95 HD2 TYR 13 HD2 TYR 13 5.339 2.040 -3.424
96 HE1 TYR 13 HE1 TYR 13 5.194 1.480 1.493
97 HE2 TYR 13 HE2 TYR 13 5.745 3.981 -1.949
98 HH TYR 13 HH TYR 13 5.969 4.687 0.142
99 H ILE 14 H ILE 14 1.559 -1.334 -4.505
100 HA ILE 14 HA ILE 14 2.285 -4.209 -4.829
101 HB ILE 14 HB ILE 14 -0.050 -4.546 -5.570
102 HG12 ILE 14 2HG1 ILE 14 -0.510 -1.625 -4.936
103 HG13 ILE 14 3HG1 ILE 14 -0.275 -2.245 -6.562
104 HG21 ILE 14 1HG2 ILE 14 -1.164 -4.093 -3.422
105 HG22 ILE 14 2HG2 ILE 14 0.477 -4.732 -3.169
106 HG23 ILE 14 3HG2 ILE 14 0.158 -2.993 -2.963
107 HD11 ILE 14 3HD1 ILE 14 -2.490 -3.055 -4.667
108 HD12 ILE 14 1HD1 ILE 14 -2.638 -1.965 -6.064
109 HD13 ILE 14 2HD1 ILE 14 -2.250 -3.684 -6.314
110 H GLY 15 H GLY 15 2.119 -5.184 -6.914
111 HA2 GLY 15 2HA GLY 15 2.066 -5.263 -9.242
112 HA3 GLY 15 3HA GLY 15 1.468 -3.615 -9.257
113 H GLU 16 H GLU 16 2.758 -2.273 -10.336
114 HA GLU 16 HA GLU 16 5.551 -3.061 -10.819
115 HB2 GLU 16 2HB GLU 16 3.859 -0.777 -11.910
116 HB3 GLU 16 3HB GLU 16 5.519 -1.095 -12.391
117 HG2 GLU 16 2HG GLU 16 4.861 -3.291 -13.263
118 HG3 GLU 16 3HG GLU 16 3.199 -3.003 -12.754
119 H LEU 17 H LEU 17 3.935 -1.272 -8.509
120 HA LEU 17 HA LEU 17 5.831 0.933 -8.292
121 HB2 LEU 17 2HB LEU 17 3.432 1.107 -7.623
122 HB3 LEU 17 3HB LEU 17 3.736 -0.045 -6.318
123 HG LEU 17 HG LEU 17 5.375 1.594 -5.340
124 HD11 LEU 17 1HD1 LEU 17 5.297 3.909 -6.151
125 HD12 LEU 17 2HD1 LEU 17 5.908 2.796 -7.397
126 HD13 LEU 17 3HD1 LEU 17 4.238 3.405 -7.489
127 HD21 LEU 17 3HD2 LEU 17 3.038 1.413 -4.550
128 HD22 LEU 17 1HD2 LEU 17 3.612 3.096 -4.477
129 HD23 LEU 17 2HD2 LEU 17 2.528 2.581 -5.792
130 HA PRO 18 HA PRO 18 8.883 -1.522 -6.294
131 HB2 PRO 18 2HB PRO 18 9.901 1.266 -5.628
132 HB3 PRO 18 3HB PRO 18 10.794 -0.119 -6.270
133 HG2 PRO 18 2HG PRO 18 10.103 1.820 -7.954
134 HG3 PRO 18 3HG PRO 18 9.900 0.141 -8.463
135 HD2 PRO 18 2HD PRO 18 7.813 2.091 -7.409
136 HD3 PRO 18 3HD PRO 18 7.690 0.925 -8.787
137 H GLN 19 H GLN 19 9.255 -2.171 -4.192
138 HA GLN 19 HA GLN 19 7.496 -1.327 -2.113
139 HB2 GLN 19 2HB GLN 19 8.533 -3.558 -2.145
140 HB3 GLN 19 3HB GLN 19 10.129 -2.847 -1.958
141 HG2 GLN 19 2HG GLN 19 9.449 -3.699 0.153
142 HG3 GLN 19 3HG GLN 19 9.385 -1.916 0.247
143 HE21 GLN 19 1HE2 GLN 19 7.788 -1.411 1.603
144 HE22 GLN 19 2HE2 GLN 19 6.178 -2.048 1.544
145 H ASP 20 H ASP 20 7.547 0.261 -0.694
146 HA ASP 20 HA ASP 20 8.255 2.143 0.426
147 HB2 ASP 20 2HB ASP 20 11.022 0.908 0.111
148 HB3 ASP 20 3HB ASP 20 10.611 2.232 1.192
149 H PHE 21 H PHE 21 8.103 2.082 -2.521
150 HA PHE 21 HA PHE 21 10.116 3.724 -3.668
151 HB2 PHE 21 2HB PHE 21 8.360 2.551 -4.975
152 HB3 PHE 21 3HB PHE 21 7.140 3.624 -4.307
153 HD1 PHE 21 HD1 PHE 21 10.222 3.563 -6.381
154 HD2 PHE 21 HD2 PHE 21 6.695 5.708 -5.282
155 HE1 PHE 21 HE1 PHE 21 10.625 5.165 -8.220
156 HE2 PHE 21 HE2 PHE 21 7.093 7.310 -7.123
157 HZ PHE 21 HZ PHE 21 9.060 7.038 -8.591
158 H LEU 22 H LEU 22 10.611 5.805 -3.542
159 HA LEU 22 HA LEU 22 8.667 7.826 -2.800
160 HB2 LEU 22 2HB LEU 22 9.136 6.900 -0.572
161 HB3 LEU 22 3HB LEU 22 10.869 7.126 -0.825
162 HG LEU 22 HG LEU 22 10.452 9.608 -0.964
163 HD11 LEU 22 1HD1 LEU 22 8.305 10.445 -0.119
164 HD12 LEU 22 2HD1 LEU 22 8.102 9.510 -1.619
165 HD13 LEU 22 3HD1 LEU 22 7.682 8.780 -0.051
166 HD21 LEU 22 3HD2 LEU 22 11.238 8.494 1.099
167 HD22 LEU 22 1HD2 LEU 22 10.148 9.850 1.478
168 HD23 LEU 22 2HD2 LEU 22 9.551 8.175 1.569
Start of MODEL 2
1 H MET 1 1H MET 1 -2.827 -3.366 -9.947
2 HA MET 1 HA MET 1 -0.702 -2.920 -9.001
3 HB2 MET 1 2HB MET 1 -0.890 -2.765 -12.033
4 HB3 MET 1 3HB MET 1 0.596 -3.090 -11.153
5 HG2 MET 1 2HG MET 1 -0.378 -5.148 -10.232
6 HG3 MET 1 3HG MET 1 -1.896 -4.815 -11.070
7 HE1 MET 1 3HE MET 1 1.748 -6.089 -11.312
8 HE2 MET 1 1HE MET 1 2.086 -6.044 -13.059
9 HE3 MET 1 2HE MET 1 1.926 -4.525 -12.144
10 H ALA 2 H ALA 2 1.245 -1.674 -9.082
11 HA ALA 2 HA ALA 2 2.427 0.291 -9.014
12 HB1 ALA 2 3HB ALA 2 0.534 1.110 -11.248
13 HB2 ALA 2 1HB ALA 2 2.032 1.958 -10.799
14 HB3 ALA 2 2HB ALA 2 2.106 0.302 -11.447
15 H THR 3 H THR 3 0.300 -0.062 -7.189
16 HA THR 3 HA THR 3 -0.599 2.762 -6.829
17 HB THR 3 HB THR 3 -2.279 0.256 -6.386
18 HG1 THR 3 HG1 THR 3 -2.094 2.187 -8.404
19 HG21 THR 3 3HG2 THR 3 -2.927 3.195 -5.941
20 HG22 THR 3 1HG2 THR 3 -4.066 1.839 -5.776
21 HG23 THR 3 2HG2 THR 3 -2.685 1.981 -4.664
22 H THR 4 H THR 4 -0.438 3.596 -4.834
23 HA THR 4 HA THR 4 0.652 1.881 -2.694
24 HB THR 4 HB THR 4 0.038 4.868 -2.727
25 HG1 THR 4 HG1 THR 4 2.623 3.754 -2.651
26 HG21 THR 4 3HG2 THR 4 1.567 3.158 -0.728
27 HG22 THR 4 1HG2 THR 4 1.405 4.929 -0.679
28 HG23 THR 4 2HG2 THR 4 -0.028 3.899 -0.455
29 H VAL 5 H VAL 5 -0.563 0.842 -1.307
30 HA VAL 5 HA VAL 5 -3.386 1.750 -0.976
31 HB VAL 5 HB VAL 5 -2.149 -0.994 -0.491
32 HG11 VAL 5 1HG1 VAL 5 -4.457 -1.758 -0.218
33 HG12 VAL 5 2HG1 VAL 5 -4.003 -0.558 1.015
34 HG13 VAL 5 3HG1 VAL 5 -5.029 -0.079 -0.358
35 HG21 VAL 5 3HG2 VAL 5 -2.270 -0.390 -2.884
36 HG22 VAL 5 1HG2 VAL 5 -3.455 -1.654 -2.485
37 HG23 VAL 5 2HG2 VAL 5 -3.988 0.031 -2.692
38 H SER 6 H SER 6 -3.822 2.775 0.840
39 HA SER 6 HA SER 6 -2.002 2.656 3.113
40 HB2 SER 6 2HB SER 6 -3.088 4.751 2.566
41 HB3 SER 6 3HB SER 6 -4.679 4.016 2.686
42 HG SER 6 HG SER 6 -3.762 3.432 4.906
43 H THR 7 H THR 7 -1.980 1.079 4.535
44 HA THR 7 HA THR 7 -4.603 -0.112 5.334
45 HB THR 7 HB THR 7 -3.532 -2.255 5.673
46 HG1 THR 7 HG1 THR 7 -1.112 -0.929 4.930
47 HG21 THR 7 3HG2 THR 7 -2.625 -1.064 3.025
48 HG22 THR 7 1HG2 THR 7 -2.795 -2.797 3.386
49 HG23 THR 7 2HG2 THR 7 -4.232 -1.749 3.359
50 H GLN 8 H GLN 8 -4.167 -1.434 7.503
51 HA GLN 8 HA GLN 8 -3.613 0.609 9.472
52 HB2 GLN 8 2HB GLN 8 -4.232 -1.047 11.107
53 HB3 GLN 8 3HB GLN 8 -5.323 -1.221 9.740
54 HG2 GLN 8 2HG GLN 8 -2.857 -2.916 9.858
55 HG3 GLN 8 3HG GLN 8 -4.269 -3.316 10.876
56 HE21 GLN 8 1HE2 GLN 8 -4.663 -5.255 9.779
57 HE22 GLN 8 2HE2 GLN 8 -5.321 -5.287 8.177
58 H ARG 9 H ARG 9 -1.637 -1.541 7.756
59 HA ARG 9 HA ARG 9 0.458 -1.441 9.874
60 HB2 ARG 9 2HB ARG 9 0.241 -3.128 7.359
61 HB3 ARG 9 3HB ARG 9 1.632 -3.126 8.432
62 HG2 ARG 9 2HG ARG 9 0.233 -3.963 10.269
63 HG3 ARG 9 3HG ARG 9 -1.181 -3.959 9.188
64 HD2 ARG 9 2HD ARG 9 -0.298 -6.165 9.314
65 HD3 ARG 9 3HD ARG 9 0.033 -5.505 7.695
66 HE ARG 9 HE ARG 9 2.224 -5.048 9.491
67 HH11 ARG 9 1HH1 ARG 9 0.682 -7.499 7.502
68 HH12 ARG 9 2HH1 ARG 9 2.154 -8.418 7.275
69 HH21 ARG 9 1HH2 ARG 9 4.127 -6.249 9.187
70 HH22 ARG 9 2HH2 ARG 9 4.104 -7.711 8.227
71 H GLY 10 H GLY 10 -0.553 0.527 7.578
72 HA2 GLY 10 2HA GLY 10 0.884 2.428 6.976
73 HA3 GLY 10 3HA GLY 10 2.222 1.313 6.778
74 HA PRO 11 HA PRO 11 0.207 2.077 2.679
75 HB2 PRO 11 2HB PRO 11 2.439 2.966 1.341
76 HB3 PRO 11 3HB PRO 11 1.413 4.046 2.294
77 HG2 PRO 11 2HG PRO 11 4.011 2.669 3.102
78 HG3 PRO 11 3HG PRO 11 3.560 4.364 3.311
79 HD2 PRO 11 2HD PRO 11 3.296 2.577 5.347
80 HD3 PRO 11 3HD PRO 11 2.100 3.914 5.109
81 H VAL 12 H VAL 12 0.233 0.610 0.997
82 HA VAL 12 HA VAL 12 2.402 -1.448 1.064
83 HB VAL 12 HB VAL 12 -0.524 -1.800 0.279
84 HG11 VAL 12 1HG1 VAL 12 0.019 -4.182 0.126
85 HG12 VAL 12 2HG1 VAL 12 0.945 -3.210 -1.043
86 HG13 VAL 12 3HG1 VAL 12 1.732 -3.810 0.436
87 HG21 VAL 12 3HG2 VAL 12 -0.194 -1.530 2.713
88 HG22 VAL 12 1HG2 VAL 12 -0.636 -3.207 2.312
89 HG23 VAL 12 2HG2 VAL 12 1.055 -2.798 2.686
90 H TYR 13 H TYR 13 3.449 -1.917 -0.781
91 HA TYR 13 HA TYR 13 2.721 -0.188 -3.103
92 HB2 TYR 13 2HB TYR 13 5.436 -1.357 -2.368
93 HB3 TYR 13 3HB TYR 13 5.104 -0.255 -3.697
94 HD1 TYR 13 HD1 TYR 13 4.788 -0.502 0.023
95 HD2 TYR 13 HD2 TYR 13 5.360 2.025 -3.397
96 HE1 TYR 13 HE1 TYR 13 5.202 1.425 1.515
97 HE2 TYR 13 HE2 TYR 13 5.774 3.952 -1.904
98 HH TYR 13 HH TYR 13 6.273 4.531 0.257
99 H ILE 14 H ILE 14 1.561 -1.338 -4.504
100 HA ILE 14 HA ILE 14 2.282 -4.213 -4.838
101 HB ILE 14 HB ILE 14 -0.053 -4.543 -5.580
102 HG12 ILE 14 2HG1 ILE 14 -0.509 -1.625 -4.932
103 HG13 ILE 14 3HG1 ILE 14 -0.274 -2.237 -6.562
104 HG21 ILE 14 1HG2 ILE 14 -1.165 -4.098 -3.429
105 HG22 ILE 14 2HG2 ILE 14 0.475 -4.739 -3.180
106 HG23 ILE 14 3HG2 ILE 14 0.159 -3.001 -2.967
107 HD11 ILE 14 3HD1 ILE 14 -2.491 -3.054 -4.670
108 HD12 ILE 14 1HD1 ILE 14 -2.638 -1.956 -6.063
109 HD13 ILE 14 2HD1 ILE 14 -2.252 -3.676 -6.320
110 H GLY 15 H GLY 15 2.117 -5.180 -6.927
111 HA2 GLY 15 2HA GLY 15 2.063 -5.251 -9.254
112 HA3 GLY 15 3HA GLY 15 1.469 -3.601 -9.263
113 H GLU 16 H GLU 16 2.763 -2.254 -10.329
114 HA GLU 16 HA GLU 16 5.555 -3.046 -10.816
115 HB2 GLU 16 2HB GLU 16 3.868 -0.753 -11.898
116 HB3 GLU 16 3HB GLU 16 5.528 -1.072 -12.380
117 HG2 GLU 16 2HG GLU 16 4.866 -3.267 -13.259
118 HG3 GLU 16 3HG GLU 16 3.202 -2.973 -12.755
119 H LEU 17 H LEU 17 3.943 -1.269 -8.496
120 HA LEU 17 HA LEU 17 5.841 0.934 -8.269
121 HB2 LEU 17 2HB LEU 17 3.443 1.111 -7.601
122 HB3 LEU 17 3HB LEU 17 3.741 -0.051 -6.304
123 HG LEU 17 HG LEU 17 5.383 1.574 -5.310
124 HD11 LEU 17 1HD1 LEU 17 5.316 3.896 -6.103
125 HD12 LEU 17 2HD1 LEU 17 5.927 2.790 -7.356
126 HD13 LEU 17 3HD1 LEU 17 4.258 3.405 -7.448
127 HD21 LEU 17 3HD2 LEU 17 3.043 1.395 -4.527
128 HD22 LEU 17 1HD2 LEU 17 3.623 3.076 -4.440
129 HD23 LEU 17 2HD2 LEU 17 2.541 2.576 -5.761
130 HA PRO 18 HA PRO 18 8.886 -1.540 -6.280
131 HB2 PRO 18 2HB PRO 18 9.913 1.243 -5.606
132 HB3 PRO 18 3HB PRO 18 10.802 -0.142 -6.253
133 HG2 PRO 18 2HG PRO 18 10.117 1.804 -7.930
134 HG3 PRO 18 3HG PRO 18 9.908 0.127 -8.445
135 HD2 PRO 18 2HD PRO 18 7.828 2.081 -7.382
136 HD3 PRO 18 3HD PRO 18 7.700 0.922 -8.764
137 H GLN 19 H GLN 19 9.250 -2.198 -4.180
138 HA GLN 19 HA GLN 19 7.498 -1.352 -2.098
139 HB2 GLN 19 2HB GLN 19 8.531 -3.586 -2.137
140 HB3 GLN 19 3HB GLN 19 10.128 -2.879 -1.946
141 HG2 GLN 19 2HG GLN 19 9.444 -3.736 0.162
142 HG3 GLN 19 3HG GLN 19 9.383 -1.953 0.261
143 HE21 GLN 19 1HE2 GLN 19 7.784 -1.446 1.615
144 HE22 GLN 19 2HE2 GLN 19 6.174 -2.082 1.553
145 H ASP 20 H ASP 20 7.552 0.237 -0.681
146 HA ASP 20 HA ASP 20 8.264 2.119 0.435
147 HB2 ASP 20 2HB ASP 20 11.025 0.866 0.136
148 HB3 ASP 20 3HB ASP 20 10.619 2.198 1.210
149 H PHE 21 H PHE 21 8.118 2.060 -2.508
150 HA PHE 21 HA PHE 21 10.137 3.689 -3.657
151 HB2 PHE 21 2HB PHE 21 8.362 2.540 -4.958
152 HB3 PHE 21 3HB PHE 21 7.157 3.624 -4.280
153 HD1 PHE 21 HD1 PHE 21 10.233 3.537 -6.366
154 HD2 PHE 21 HD2 PHE 21 6.728 5.711 -5.253
155 HE1 PHE 21 HE1 PHE 21 10.646 5.139 -8.202
156 HE2 PHE 21 HE2 PHE 21 7.135 7.314 -7.090
157 HZ PHE 21 HZ PHE 21 9.097 7.028 -8.565
158 H LEU 22 H LEU 22 10.655 5.765 -3.530
159 HA LEU 22 HA LEU 22 8.733 7.800 -2.763
160 HB2 LEU 22 2HB LEU 22 9.228 6.868 -0.543
161 HB3 LEU 22 3HB LEU 22 10.959 7.079 -0.822
162 HG LEU 22 HG LEU 22 10.561 9.566 -0.951
163 HD11 LEU 22 1HD1 LEU 22 8.433 10.419 -0.074
164 HD12 LEU 22 2HD1 LEU 22 8.201 9.487 -1.571
165 HD13 LEU 22 3HD1 LEU 22 7.798 8.759 0.002
166 HD21 LEU 22 3HD2 LEU 22 11.368 8.441 1.098
167 HD22 LEU 22 1HD2 LEU 22 10.295 9.805 1.494
168 HD23 LEU 22 2HD2 LEU 22 9.686 8.136 1.593
Start of MODEL 3
1 H MET 1 1H MET 1 -2.835 -3.367 -9.917
2 HA MET 1 HA MET 1 -0.704 -2.926 -8.983
3 HB2 MET 1 2HB MET 1 -0.908 -2.778 -12.014
4 HB3 MET 1 3HB MET 1 0.583 -3.103 -11.142
5 HG2 MET 1 2HG MET 1 -0.390 -5.157 -10.210
6 HG3 MET 1 3HG MET 1 -1.914 -4.823 -11.039
7 HE1 MET 1 3HE MET 1 1.729 -6.104 -11.300
8 HE2 MET 1 1HE MET 1 2.055 -6.064 -13.049
9 HE3 MET 1 2HE MET 1 1.902 -4.542 -12.137
10 H ALA 2 H ALA 2 1.244 -1.686 -9.066
11 HA ALA 2 HA ALA 2 2.431 0.275 -9.004
12 HB1 ALA 2 3HB ALA 2 0.542 1.094 -11.241
13 HB2 ALA 2 1HB ALA 2 2.043 1.938 -10.794
14 HB3 ALA 2 2HB ALA 2 2.112 0.280 -11.437
15 H THR 3 H THR 3 0.303 -0.065 -7.178
16 HA THR 3 HA THR 3 -0.588 2.762 -6.827
17 HB THR 3 HB THR 3 -2.278 0.265 -6.375
18 HG1 THR 3 HG1 THR 3 -2.227 2.310 -8.339
19 HG21 THR 3 3HG2 THR 3 -2.915 3.209 -5.955
20 HG22 THR 3 1HG2 THR 3 -4.061 1.859 -5.784
21 HG23 THR 3 2HG2 THR 3 -2.682 2.005 -4.668
22 H THR 4 H THR 4 -0.427 3.601 -4.834
23 HA THR 4 HA THR 4 0.657 1.890 -2.688
24 HB THR 4 HB THR 4 0.046 4.877 -2.732
25 HG1 THR 4 HG1 THR 4 2.611 3.676 -2.690
26 HG21 THR 4 3HG2 THR 4 1.563 3.173 -0.719
27 HG22 THR 4 1HG2 THR 4 1.404 4.944 -0.678
28 HG23 THR 4 2HG2 THR 4 -0.033 3.917 -0.458
29 H VAL 5 H VAL 5 -0.559 0.858 -1.296
30 HA VAL 5 HA VAL 5 -3.385 1.765 -0.977
31 HB VAL 5 HB VAL 5 -2.150 -0.980 -0.492
32 HG11 VAL 5 1HG1 VAL 5 -4.460 -1.743 -0.223
33 HG12 VAL 5 2HG1 VAL 5 -4.005 -0.544 1.012
34 HG13 VAL 5 3HG1 VAL 5 -5.030 -0.064 -0.362
35 HG21 VAL 5 3HG2 VAL 5 -2.268 -0.373 -2.884
36 HG22 VAL 5 1HG2 VAL 5 -3.455 -1.638 -2.488
37 HG23 VAL 5 2HG2 VAL 5 -3.987 0.048 -2.695
38 H SER 6 H SER 6 -3.825 2.788 0.839
39 HA SER 6 HA SER 6 -2.016 2.668 3.120
40 HB2 SER 6 2HB SER 6 -3.116 4.759 2.574
41 HB3 SER 6 3HB SER 6 -4.702 4.011 2.689
42 HG SER 6 HG SER 6 -3.810 3.429 4.908
43 H THR 7 H THR 7 -1.986 1.067 4.518
44 HA THR 7 HA THR 7 -4.608 -0.122 5.324
45 HB THR 7 HB THR 7 -3.536 -2.268 5.650
46 HG1 THR 7 HG1 THR 7 -1.150 -0.833 5.039
47 HG21 THR 7 3HG2 THR 7 -2.655 -1.069 2.997
48 HG22 THR 7 1HG2 THR 7 -2.822 -2.803 3.354
49 HG23 THR 7 2HG2 THR 7 -4.259 -1.753 3.345
50 H GLN 8 H GLN 8 -4.158 -1.459 7.482
51 HA GLN 8 HA GLN 8 -3.610 0.576 9.459
52 HB2 GLN 8 2HB GLN 8 -4.214 -1.090 11.089
53 HB3 GLN 8 3HB GLN 8 -5.309 -1.263 9.724
54 HG2 GLN 8 2HG GLN 8 -2.833 -2.945 9.823
55 HG3 GLN 8 3HG GLN 8 -4.237 -3.358 10.848
56 HE21 GLN 8 1HE2 GLN 8 -4.637 -5.291 9.748
57 HE22 GLN 8 2HE2 GLN 8 -5.301 -5.320 8.148
58 H ARG 9 H ARG 9 -1.625 -1.558 7.732
59 HA ARG 9 HA ARG 9 0.473 -1.457 9.848
60 HB2 ARG 9 2HB ARG 9 0.262 -3.127 7.320
61 HB3 ARG 9 3HB ARG 9 1.654 -3.124 8.392
62 HG2 ARG 9 2HG ARG 9 0.267 -3.987 10.223
63 HG3 ARG 9 3HG ARG 9 -1.152 -3.976 9.149
64 HD2 ARG 9 2HD ARG 9 -0.264 -6.180 9.248
65 HD3 ARG 9 3HD ARG 9 0.057 -5.503 7.635
66 HE ARG 9 HE ARG 9 2.256 -5.059 9.424
67 HH11 ARG 9 1HH1 ARG 9 0.710 -7.494 7.419
68 HH12 ARG 9 2HH1 ARG 9 2.183 -8.407 7.174
69 HH21 ARG 9 1HH2 ARG 9 4.160 -6.252 9.099
70 HH22 ARG 9 2HH2 ARG 9 4.136 -7.705 8.124
71 H GLY 10 H GLY 10 -0.550 0.530 7.579
72 HA2 GLY 10 2HA GLY 10 0.871 2.439 6.977
73 HA3 GLY 10 3HA GLY 10 2.218 1.335 6.777
74 HA PRO 11 HA PRO 11 0.214 2.100 2.673
75 HB2 PRO 11 2HB PRO 11 2.458 2.977 1.345
76 HB3 PRO 11 3HB PRO 11 1.431 4.062 2.290
77 HG2 PRO 11 2HG PRO 11 4.018 2.680 3.116
78 HG3 PRO 11 3HG PRO 11 3.571 4.376 3.319
79 HD2 PRO 11 2HD PRO 11 3.291 2.594 5.356
80 HD3 PRO 11 3HD PRO 11 2.097 3.932 5.109
81 H VAL 12 H VAL 12 0.229 0.618 1.009
82 HA VAL 12 HA VAL 12 2.400 -1.437 1.071
83 HB VAL 12 HB VAL 12 -0.525 -1.789 0.285
84 HG11 VAL 12 1HG1 VAL 12 0.016 -4.170 0.136
85 HG12 VAL 12 2HG1 VAL 12 0.944 -3.201 -1.034
86 HG13 VAL 12 3HG1 VAL 12 1.729 -3.799 0.448
87 HG21 VAL 12 3HG2 VAL 12 -0.198 -1.517 2.719
88 HG22 VAL 12 1HG2 VAL 12 -0.640 -3.193 2.320
89 HG23 VAL 12 2HG2 VAL 12 1.052 -2.785 2.695
90 H TYR 13 H TYR 13 3.441 -1.914 -0.776
91 HA TYR 13 HA TYR 13 2.718 -0.183 -3.098
92 HB2 TYR 13 2HB TYR 13 5.432 -1.353 -2.362
93 HB3 TYR 13 3HB TYR 13 5.100 -0.252 -3.693
94 HD1 TYR 13 HD1 TYR 13 4.783 -0.494 0.028
95 HD2 TYR 13 HD2 TYR 13 5.359 2.028 -3.395
96 HE1 TYR 13 HE1 TYR 13 5.197 1.433 1.518
97 HE2 TYR 13 HE2 TYR 13 5.773 3.955 -1.905
98 HH TYR 13 HH TYR 13 6.403 4.457 0.323
99 H ILE 14 H ILE 14 1.555 -1.335 -4.497
100 HA ILE 14 HA ILE 14 2.272 -4.213 -4.822
101 HB ILE 14 HB ILE 14 -0.065 -4.541 -5.561
102 HG12 ILE 14 2HG1 ILE 14 -0.516 -1.619 -4.930
103 HG13 ILE 14 3HG1 ILE 14 -0.281 -2.241 -6.556
104 HG21 ILE 14 1HG2 ILE 14 -1.176 -4.083 -3.413
105 HG22 ILE 14 2HG2 ILE 14 0.463 -4.727 -3.160
106 HG23 ILE 14 3HG2 ILE 14 0.150 -2.987 -2.956
107 HD11 ILE 14 3HD1 ILE 14 -2.501 -3.043 -4.661
108 HD12 ILE 14 1HD1 ILE 14 -2.644 -1.953 -6.059
109 HD13 ILE 14 2HD1 ILE 14 -2.261 -3.674 -6.308
110 H GLY 15 H GLY 15 2.095 -5.186 -6.909
111 HA2 GLY 15 2HA GLY 15 2.049 -5.263 -9.237
112 HA3 GLY 15 3HA GLY 15 1.464 -3.610 -9.253
113 H GLU 16 H GLU 16 2.769 -2.268 -10.311
114 HA GLU 16 HA GLU 16 5.560 -3.078 -10.786
115 HB2 GLU 16 2HB GLU 16 3.887 -0.788 -11.892
116 HB3 GLU 16 3HB GLU 16 5.547 -1.118 -12.363
117 HG2 GLU 16 2HG GLU 16 4.879 -3.313 -13.231
118 HG3 GLU 16 3HG GLU 16 3.215 -3.010 -12.734
119 H LEU 17 H LEU 17 3.947 -1.285 -8.483
120 HA LEU 17 HA LEU 17 5.846 0.918 -8.264
121 HB2 LEU 17 2HB LEU 17 3.447 1.099 -7.599
122 HB3 LEU 17 3HB LEU 17 3.743 -0.056 -6.296
123 HG LEU 17 HG LEU 17 5.385 1.575 -5.308
124 HD11 LEU 17 1HD1 LEU 17 5.319 3.891 -6.116
125 HD12 LEU 17 2HD1 LEU 17 5.931 2.778 -7.361
126 HD13 LEU 17 3HD1 LEU 17 4.264 3.394 -7.459
127 HD21 LEU 17 3HD2 LEU 17 3.044 1.401 -4.528
128 HD22 LEU 17 1HD2 LEU 17 3.624 3.082 -4.450
129 HD23 LEU 17 2HD2 LEU 17 2.544 2.574 -5.769
130 HA PRO 18 HA PRO 18 8.886 -1.546 -6.252
131 HB2 PRO 18 2HB PRO 18 9.920 1.239 -5.601
132 HB3 PRO 18 3HB PRO 18 10.803 -0.153 -6.240
133 HG2 PRO 18 2HG PRO 18 10.122 1.784 -7.930
134 HG3 PRO 18 3HG PRO 18 9.909 0.104 -8.432
135 HD2 PRO 18 2HD PRO 18 7.834 2.069 -7.380
136 HD3 PRO 18 3HD PRO 18 7.703 0.901 -8.757
137 H GLN 19 H GLN 19 9.254 -2.182 -4.145
138 HA GLN 19 HA GLN 19 7.497 -1.317 -2.074
139 HB2 GLN 19 2HB GLN 19 8.523 -3.553 -2.088
140 HB3 GLN 19 3HB GLN 19 10.123 -2.849 -1.908
141 HG2 GLN 19 2HG GLN 19 9.439 -3.682 0.210
142 HG3 GLN 19 3HG GLN 19 9.385 -1.899 0.291
143 HE21 GLN 19 1HE2 GLN 19 7.791 -1.372 1.643
144 HE22 GLN 19 2HE2 GLN 19 6.178 -2.002 1.590
145 H ASP 20 H ASP 20 7.554 0.282 -0.665
146 HA ASP 20 HA ASP 20 8.268 2.170 0.438
147 HB2 ASP 20 2HB ASP 20 11.028 0.916 0.140
148 HB3 ASP 20 3HB ASP 20 10.625 2.255 1.207
149 H PHE 21 H PHE 21 8.128 2.080 -2.511
150 HA PHE 21 HA PHE 21 10.140 3.709 -3.668
151 HB2 PHE 21 2HB PHE 21 8.374 2.542 -4.965
152 HB3 PHE 21 3HB PHE 21 7.162 3.623 -4.297
153 HD1 PHE 21 HD1 PHE 21 10.235 3.539 -6.384
154 HD2 PHE 21 HD2 PHE 21 6.724 5.706 -5.276
155 HE1 PHE 21 HE1 PHE 21 10.638 5.132 -8.230
156 HE2 PHE 21 HE2 PHE 21 7.123 7.300 -7.124
157 HZ PHE 21 HZ PHE 21 9.082 7.013 -8.600
158 H LEU 22 H LEU 22 10.638 5.794 -3.580
159 HA LEU 22 HA LEU 22 8.708 7.822 -2.823
160 HB2 LEU 22 2HB LEU 22 9.213 6.917 -0.594
161 HB3 LEU 22 3HB LEU 22 10.942 7.135 -0.879
162 HG LEU 22 HG LEU 22 10.530 9.618 -1.031
163 HD11 LEU 22 1HD1 LEU 22 8.400 10.468 -0.158
164 HD12 LEU 22 2HD1 LEU 22 8.169 9.521 -1.646
165 HD13 LEU 22 3HD1 LEU 22 7.774 8.806 -0.066
166 HD21 LEU 22 3HD2 LEU 22 11.348 8.518 1.027
167 HD22 LEU 22 1HD2 LEU 22 10.268 9.880 1.412
168 HD23 LEU 22 2HD2 LEU 22 9.668 8.209 1.528
Start of MODEL 4
1 H MET 1 1H MET 1 -2.848 -3.396 -9.841
2 HA MET 1 HA MET 1 -0.703 -2.943 -8.946
3 HB2 MET 1 2HB MET 1 -0.962 -2.815 -11.974
4 HB3 MET 1 3HB MET 1 0.547 -3.126 -11.127
5 HG2 MET 1 2HG MET 1 -0.398 -5.178 -10.164
6 HG3 MET 1 3HG MET 1 -1.938 -4.859 -10.968
7 HE1 MET 1 3HE MET 1 1.719 -6.096 -11.295
8 HE2 MET 1 1HE MET 1 2.002 -6.070 -13.052
9 HE3 MET 1 2HE MET 1 1.848 -4.541 -12.153
10 H ALA 2 H ALA 2 1.234 -1.694 -9.056
11 HA ALA 2 HA ALA 2 2.413 0.273 -9.021
12 HB1 ALA 2 3HB ALA 2 0.499 1.066 -11.247
13 HB2 ALA 2 1HB ALA 2 2.000 1.920 -10.820
14 HB3 ALA 2 2HB ALA 2 2.070 0.257 -11.452
15 H THR 3 H THR 3 0.301 -0.063 -7.174
16 HA THR 3 HA THR 3 -0.581 2.767 -6.825
17 HB THR 3 HB THR 3 -2.287 0.278 -6.378
18 HG1 THR 3 HG1 THR 3 -2.080 2.203 -8.401
19 HG21 THR 3 3HG2 THR 3 -2.905 3.225 -5.939
20 HG22 THR 3 1HG2 THR 3 -4.057 1.880 -5.773
21 HG23 THR 3 2HG2 THR 3 -2.675 2.011 -4.660
22 H THR 4 H THR 4 -0.410 3.603 -4.830
23 HA THR 4 HA THR 4 0.662 1.882 -2.687
24 HB THR 4 HB THR 4 0.060 4.871 -2.726
25 HG1 THR 4 HG1 THR 4 2.608 3.619 -2.713
26 HG21 THR 4 3HG2 THR 4 1.567 3.158 -0.713
27 HG22 THR 4 1HG2 THR 4 1.415 4.930 -0.669
28 HG23 THR 4 2HG2 THR 4 -0.026 3.907 -0.453
29 H VAL 5 H VAL 5 -0.555 0.855 -1.292
30 HA VAL 5 HA VAL 5 -3.380 1.769 -0.975
31 HB VAL 5 HB VAL 5 -2.152 -0.980 -0.487
32 HG11 VAL 5 1HG1 VAL 5 -4.464 -1.737 -0.220
33 HG12 VAL 5 2HG1 VAL 5 -4.008 -0.538 1.013
34 HG13 VAL 5 3HG1 VAL 5 -5.029 -0.056 -0.362
35 HG21 VAL 5 3HG2 VAL 5 -2.264 -0.373 -2.880
36 HG22 VAL 5 1HG2 VAL 5 -3.455 -1.636 -2.486
37 HG23 VAL 5 2HG2 VAL 5 -3.982 0.051 -2.693
38 H SER 6 H SER 6 -3.819 2.792 0.841
39 HA SER 6 HA SER 6 -2.012 2.668 3.121
40 HB2 SER 6 2HB SER 6 -3.106 4.761 2.578
41 HB3 SER 6 3HB SER 6 -4.694 4.018 2.688
42 HG SER 6 HG SER 6 -3.648 3.432 4.913
43 H THR 7 H THR 7 -1.984 1.071 4.522
44 HA THR 7 HA THR 7 -4.608 -0.118 5.324
45 HB THR 7 HB THR 7 -3.538 -2.265 5.652
46 HG1 THR 7 HG1 THR 7 -1.137 -0.867 4.991
47 HG21 THR 7 3HG2 THR 7 -2.646 -1.064 3.003
48 HG22 THR 7 1HG2 THR 7 -2.815 -2.799 3.358
49 HG23 THR 7 2HG2 THR 7 -4.252 -1.748 3.344
50 H GLN 8 H GLN 8 -4.164 -1.453 7.484
51 HA GLN 8 HA GLN 8 -3.613 0.581 9.463
52 HB2 GLN 8 2HB GLN 8 -4.222 -1.085 11.091
53 HB3 GLN 8 3HB GLN 8 -5.316 -1.255 9.725
54 HG2 GLN 8 2HG GLN 8 -2.845 -2.944 9.826
55 HG3 GLN 8 3HG GLN 8 -4.250 -3.353 10.849
56 HE21 GLN 8 1HE2 GLN 8 -4.652 -5.285 9.747
57 HE22 GLN 8 2HE2 GLN 8 -5.314 -5.311 8.147
58 H ARG 9 H ARG 9 -1.632 -1.557 7.735
59 HA ARG 9 HA ARG 9 0.464 -1.462 9.852
60 HB2 ARG 9 2HB ARG 9 0.252 -3.131 7.323
61 HB3 ARG 9 3HB ARG 9 1.644 -3.132 8.396
62 HG2 ARG 9 2HG ARG 9 0.257 -3.993 10.226
63 HG3 ARG 9 3HG ARG 9 -1.166 -3.974 9.155
64 HD2 ARG 9 2HD ARG 9 -0.286 -6.182 9.248
65 HD3 ARG 9 3HD ARG 9 0.034 -5.505 7.636
66 HE ARG 9 HE ARG 9 2.238 -5.073 9.419
67 HH11 ARG 9 1HH1 ARG 9 0.677 -7.499 7.414
68 HH12 ARG 9 2HH1 ARG 9 2.144 -8.417 7.164
69 HH21 ARG 9 1HH2 ARG 9 4.137 -6.274 9.086
70 HH22 ARG 9 2HH2 ARG 9 4.104 -7.724 8.110
71 H GLY 10 H GLY 10 -0.552 0.524 7.576
72 HA2 GLY 10 2HA GLY 10 0.875 2.431 6.979
73 HA3 GLY 10 3HA GLY 10 2.218 1.322 6.778
74 HA PRO 11 HA PRO 11 0.209 2.094 2.676
75 HB2 PRO 11 2HB PRO 11 2.448 2.982 1.347
76 HB3 PRO 11 3HB PRO 11 1.419 4.061 2.296
77 HG2 PRO 11 2HG PRO 11 4.013 2.685 3.114
78 HG3 PRO 11 3HG PRO 11 3.561 4.380 3.324
79 HD2 PRO 11 2HD PRO 11 3.288 2.593 5.357
80 HD3 PRO 11 3HD PRO 11 2.091 3.928 5.114
81 H VAL 12 H VAL 12 0.229 0.618 1.007
82 HA VAL 12 HA VAL 12 2.405 -1.432 1.066
83 HB VAL 12 HB VAL 12 -0.521 -1.791 0.286
84 HG11 VAL 12 1HG1 VAL 12 0.027 -4.171 0.132
85 HG12 VAL 12 2HG1 VAL 12 0.948 -3.197 -1.039
86 HG13 VAL 12 3HG1 VAL 12 1.739 -3.796 0.439
87 HG21 VAL 12 3HG2 VAL 12 -0.188 -1.522 2.719
88 HG22 VAL 12 1HG2 VAL 12 -0.627 -3.199 2.319
89 HG23 VAL 12 2HG2 VAL 12 1.064 -2.786 2.690
90 H TYR 13 H TYR 13 3.449 -1.898 -0.781
91 HA TYR 13 HA TYR 13 2.710 -0.176 -3.104
92 HB2 TYR 13 2HB TYR 13 5.431 -1.326 -2.364
93 HB3 TYR 13 3HB TYR 13 5.094 -0.239 -3.705
94 HD1 TYR 13 HD1 TYR 13 4.782 -0.450 0.019
95 HD2 TYR 13 HD2 TYR 13 5.334 2.046 -3.427
96 HE1 TYR 13 HE1 TYR 13 5.184 1.493 1.490
97 HE2 TYR 13 HE2 TYR 13 5.737 3.989 -1.955
98 HH TYR 13 HH TYR 13 5.887 4.717 0.132
99 H ILE 14 H ILE 14 1.554 -1.334 -4.502
100 HA ILE 14 HA ILE 14 2.282 -4.209 -4.822
101 HB ILE 14 HB ILE 14 -0.052 -4.546 -5.566
102 HG12 ILE 14 2HG1 ILE 14 -0.514 -1.625 -4.935
103 HG13 ILE 14 3HG1 ILE 14 -0.274 -2.247 -6.561
104 HG21 ILE 14 1HG2 ILE 14 -1.168 -4.092 -3.420
105 HG22 ILE 14 2HG2 ILE 14 0.473 -4.730 -3.165
106 HG23 ILE 14 3HG2 ILE 14 0.154 -2.992 -2.961
107 HD11 ILE 14 3HD1 ILE 14 -2.493 -3.056 -4.668
108 HD12 ILE 14 1HD1 ILE 14 -2.638 -1.966 -6.067
109 HD13 ILE 14 2HD1 ILE 14 -2.251 -3.687 -6.315
110 H GLY 15 H GLY 15 2.119 -5.187 -6.907
111 HA2 GLY 15 2HA GLY 15 2.064 -5.271 -9.234
112 HA3 GLY 15 3HA GLY 15 1.464 -3.623 -9.251
113 H GLU 16 H GLU 16 2.754 -2.279 -10.329
114 HA GLU 16 HA GLU 16 5.546 -3.069 -10.814
115 HB2 GLU 16 2HB GLU 16 3.850 -0.793 -11.918
116 HB3 GLU 16 3HB GLU 16 5.511 -1.113 -12.398
117 HG2 GLU 16 2HG GLU 16 4.855 -3.315 -13.257
118 HG3 GLU 16 3HG GLU 16 3.193 -3.026 -12.747
119 H LEU 17 H LEU 17 3.940 -1.288 -8.501
120 HA LEU 17 HA LEU 17 5.838 0.921 -8.294
121 HB2 LEU 17 2HB LEU 17 3.438 1.107 -7.632
122 HB3 LEU 17 3HB LEU 17 3.734 -0.042 -6.323
123 HG LEU 17 HG LEU 17 5.376 1.592 -5.343
124 HD11 LEU 17 1HD1 LEU 17 5.313 3.905 -6.162
125 HD12 LEU 17 2HD1 LEU 17 5.924 2.785 -7.402
126 HD13 LEU 17 3HD1 LEU 17 4.257 3.401 -7.503
127 HD21 LEU 17 3HD2 LEU 17 3.035 1.425 -4.563
128 HD22 LEU 17 1HD2 LEU 17 3.617 3.106 -4.493
129 HD23 LEU 17 2HD2 LEU 17 2.536 2.592 -5.811
130 HA PRO 18 HA PRO 18 8.874 -1.543 -6.281
131 HB2 PRO 18 2HB PRO 18 9.908 1.242 -5.629
132 HB3 PRO 18 3HB PRO 18 10.792 -0.151 -6.266
133 HG2 PRO 18 2HG PRO 18 10.113 1.784 -7.958
134 HG3 PRO 18 3HG PRO 18 9.902 0.105 -8.459
135 HD2 PRO 18 2HD PRO 18 7.825 2.071 -7.414
136 HD3 PRO 18 3HD PRO 18 7.696 0.899 -8.787
137 H GLN 19 H GLN 19 9.244 -2.179 -4.174
138 HA GLN 19 HA GLN 19 7.484 -1.318 -2.104
139 HB2 GLN 19 2HB GLN 19 8.514 -3.552 -2.121
140 HB3 GLN 19 3HB GLN 19 10.113 -2.846 -1.934
141 HG2 GLN 19 2HG GLN 19 9.425 -3.684 0.180
142 HG3 GLN 19 3HG GLN 19 9.365 -1.901 0.263
143 HE21 GLN 19 1HE2 GLN 19 7.768 -1.386 1.617
144 HE22 GLN 19 2HE2 GLN 19 6.156 -2.018 1.556
145 H ASP 20 H ASP 20 7.537 0.277 -0.694
146 HA ASP 20 HA ASP 20 8.250 2.163 0.417
147 HB2 ASP 20 2HB ASP 20 11.012 0.916 0.115
148 HB3 ASP 20 3HB ASP 20 10.605 2.249 1.188
149 H PHE 21 H PHE 21 8.104 2.086 -2.530
150 HA PHE 21 HA PHE 21 10.126 3.715 -3.680
151 HB2 PHE 21 2HB PHE 21 8.368 2.539 -4.984
152 HB3 PHE 21 3HB PHE 21 7.151 3.622 -4.328
153 HD1 PHE 21 HD1 PHE 21 10.242 3.533 -6.390
154 HD2 PHE 21 HD2 PHE 21 6.718 5.700 -5.321
155 HE1 PHE 21 HE1 PHE 21 10.659 5.120 -8.240
156 HE2 PHE 21 HE2 PHE 21 7.131 7.287 -7.172
157 HZ PHE 21 HZ PHE 21 9.103 6.997 -8.631
158 H LEU 22 H LEU 22 10.629 5.795 -3.565
159 HA LEU 22 HA LEU 22 8.690 7.826 -2.841
160 HB2 LEU 22 2HB LEU 22 9.148 6.913 -0.606
161 HB3 LEU 22 3HB LEU 22 10.884 7.130 -0.856
162 HG LEU 22 HG LEU 22 10.477 9.613 -1.010
163 HD11 LEU 22 1HD1 LEU 22 8.331 10.464 -0.177
164 HD12 LEU 22 2HD1 LEU 22 8.128 9.520 -1.672
165 HD13 LEU 22 3HD1 LEU 22 7.702 8.802 -0.101
166 HD21 LEU 22 3HD2 LEU 22 11.253 8.508 1.060
167 HD22 LEU 22 1HD2 LEU 22 10.168 9.870 1.428
168 HD23 LEU 22 2HD2 LEU 22 9.564 8.199 1.528
Start of MODEL 5
1 H MET 1 1H MET 1 -2.843 -3.395 -9.874
2 HA MET 1 HA MET 1 -0.705 -2.941 -8.962
3 HB2 MET 1 2HB MET 1 -0.941 -2.808 -11.992
4 HB3 MET 1 3HB MET 1 0.561 -3.122 -11.133
5 HG2 MET 1 2HG MET 1 -0.392 -5.176 -10.181
6 HG3 MET 1 3HG MET 1 -1.924 -4.854 -10.996
7 HE1 MET 1 3HE MET 1 1.728 -6.103 -11.293
8 HE2 MET 1 1HE MET 1 2.030 -6.073 -13.048
9 HE3 MET 1 2HE MET 1 1.874 -4.546 -12.144
10 H ALA 2 H ALA 2 1.233 -1.692 -9.062
11 HA ALA 2 HA ALA 2 2.413 0.276 -9.020
12 HB1 ALA 2 3HB ALA 2 0.505 1.074 -11.247
13 HB2 ALA 2 1HB ALA 2 2.004 1.927 -10.815
14 HB3 ALA 2 2HB ALA 2 2.076 0.266 -11.451
15 H THR 3 H THR 3 0.297 -0.067 -7.178
16 HA THR 3 HA THR 3 -0.592 2.761 -6.827
17 HB THR 3 HB THR 3 -2.287 0.268 -6.373
18 HG1 THR 3 HG1 THR 3 -2.187 2.279 -8.356
19 HG21 THR 3 3HG2 THR 3 -2.916 3.214 -5.946
20 HG22 THR 3 1HG2 THR 3 -4.064 1.865 -5.774
21 HG23 THR 3 2HG2 THR 3 -2.682 2.005 -4.662
22 H THR 4 H THR 4 -0.423 3.598 -4.833
23 HA THR 4 HA THR 4 0.660 1.881 -2.692
24 HB THR 4 HB THR 4 0.055 4.870 -2.727
25 HG1 THR 4 HG1 THR 4 2.655 3.872 -2.595
26 HG21 THR 4 3HG2 THR 4 1.581 3.159 -0.728
27 HG22 THR 4 1HG2 THR 4 1.426 4.930 -0.681
28 HG23 THR 4 2HG2 THR 4 -0.010 3.903 -0.455
29 H VAL 5 H VAL 5 -0.554 0.853 -1.297
30 HA VAL 5 HA VAL 5 -3.378 1.764 -0.974
31 HB VAL 5 HB VAL 5 -2.146 -0.982 -0.485
32 HG11 VAL 5 1HG1 VAL 5 -4.457 -1.742 -0.216
33 HG12 VAL 5 2HG1 VAL 5 -4.001 -0.541 1.017
34 HG13 VAL 5 3HG1 VAL 5 -5.025 -0.062 -0.358
35 HG21 VAL 5 3HG2 VAL 5 -2.262 -0.379 -2.878
36 HG22 VAL 5 1HG2 VAL 5 -3.450 -1.642 -2.482
37 HG23 VAL 5 2HG2 VAL 5 -3.981 0.044 -2.691
38 H SER 6 H SER 6 -3.817 2.790 0.840
39 HA SER 6 HA SER 6 -2.008 2.668 3.120
40 HB2 SER 6 2HB SER 6 -3.100 4.761 2.575
41 HB3 SER 6 3HB SER 6 -4.690 4.019 2.686
42 HG SER 6 HG SER 6 -3.651 3.434 4.912
43 H THR 7 H THR 7 -1.983 1.071 4.522
44 HA THR 7 HA THR 7 -4.607 -0.117 5.322
45 HB THR 7 HB THR 7 -3.537 -2.264 5.652
46 HG1 THR 7 HG1 THR 7 -1.134 -0.870 4.988
47 HG21 THR 7 3HG2 THR 7 -2.640 -1.063 3.004
48 HG22 THR 7 1HG2 THR 7 -2.810 -2.797 3.359
49 HG23 THR 7 2HG2 THR 7 -4.247 -1.748 3.342
50 H GLN 8 H GLN 8 -4.164 -1.452 7.483
51 HA GLN 8 HA GLN 8 -3.617 0.584 9.461
52 HB2 GLN 8 2HB GLN 8 -4.231 -1.080 11.090
53 HB3 GLN 8 3HB GLN 8 -5.321 -1.251 9.721
54 HG2 GLN 8 2HG GLN 8 -2.850 -2.940 9.832
55 HG3 GLN 8 3HG GLN 8 -4.260 -3.348 10.850
56 HE21 GLN 8 1HE2 GLN 8 -4.653 -5.283 9.747
57 HE22 GLN 8 2HE2 GLN 8 -5.313 -5.310 8.145
58 H ARG 9 H ARG 9 -1.633 -1.555 7.739
59 HA ARG 9 HA ARG 9 0.459 -1.458 9.858
60 HB2 ARG 9 2HB ARG 9 0.250 -3.132 7.334
61 HB3 ARG 9 3HB ARG 9 1.640 -3.131 8.408
62 HG2 ARG 9 2HG ARG 9 0.243 -3.983 10.239
63 HG3 ARG 9 3HG ARG 9 -1.170 -3.976 9.157
64 HD2 ARG 9 2HD ARG 9 -0.283 -6.180 9.270
65 HD3 ARG 9 3HD ARG 9 0.046 -5.510 7.655
66 HE ARG 9 HE ARG 9 2.235 -5.059 9.454
67 HH11 ARG 9 1HH1 ARG 9 0.699 -7.503 7.451
68 HH12 ARG 9 2HH1 ARG 9 2.172 -8.417 7.218
69 HH21 ARG 9 1HH2 ARG 9 4.141 -6.255 9.143
70 HH22 ARG 9 2HH2 ARG 9 4.121 -7.711 8.175
71 H GLY 10 H GLY 10 -0.555 0.522 7.574
72 HA2 GLY 10 2HA GLY 10 0.874 2.429 6.980
73 HA3 GLY 10 3HA GLY 10 2.219 1.320 6.780
74 HA PRO 11 HA PRO 11 0.212 2.091 2.677
75 HB2 PRO 11 2HB PRO 11 2.451 2.980 1.349
76 HB3 PRO 11 3HB PRO 11 1.421 4.060 2.300
77 HG2 PRO 11 2HG PRO 11 4.016 2.682 3.117
78 HG3 PRO 11 3HG PRO 11 3.563 4.376 3.326
79 HD2 PRO 11 2HD PRO 11 3.290 2.588 5.358
80 HD3 PRO 11 3HD PRO 11 2.094 3.924 5.117
81 H VAL 12 H VAL 12 0.234 0.618 1.005
82 HA VAL 12 HA VAL 12 2.409 -1.434 1.065
83 HB VAL 12 HB VAL 12 -0.517 -1.794 0.286
84 HG11 VAL 12 1HG1 VAL 12 0.032 -4.174 0.137
85 HG12 VAL 12 2HG1 VAL 12 0.954 -3.203 -1.035
86 HG13 VAL 12 3HG1 VAL 12 1.744 -3.798 0.446
87 HG21 VAL 12 3HG2 VAL 12 -0.186 -1.519 2.719
88 HG22 VAL 12 1HG2 VAL 12 -0.623 -3.198 2.322
89 HG23 VAL 12 2HG2 VAL 12 1.067 -2.783 2.693
90 H TYR 13 H TYR 13 3.454 -1.895 -0.782
91 HA TYR 13 HA TYR 13 2.712 -0.173 -3.104
92 HB2 TYR 13 2HB TYR 13 5.435 -1.321 -2.365
93 HB3 TYR 13 3HB TYR 13 5.096 -0.234 -3.705
94 HD1 TYR 13 HD1 TYR 13 4.788 -0.450 0.018
95 HD2 TYR 13 HD2 TYR 13 5.331 2.052 -3.425
96 HE1 TYR 13 HE1 TYR 13 5.189 1.493 1.492
97 HE2 TYR 13 HE2 TYR 13 5.733 3.994 -1.951
98 HH TYR 13 HH TYR 13 5.907 4.715 0.138
99 H ILE 14 H ILE 14 1.558 -1.331 -4.503
100 HA ILE 14 HA ILE 14 2.286 -4.206 -4.823
101 HB ILE 14 HB ILE 14 -0.048 -4.547 -5.560
102 HG12 ILE 14 2HG1 ILE 14 -0.511 -1.624 -4.935
103 HG13 ILE 14 3HG1 ILE 14 -0.276 -2.249 -6.560
104 HG21 ILE 14 1HG2 ILE 14 -1.161 -4.088 -3.413
105 HG22 ILE 14 2HG2 ILE 14 0.481 -4.723 -3.158
106 HG23 ILE 14 3HG2 ILE 14 0.159 -2.985 -2.959
107 HD11 ILE 14 3HD1 ILE 14 -2.490 -3.055 -4.660
108 HD12 ILE 14 1HD1 ILE 14 -2.639 -1.970 -6.062
109 HD13 ILE 14 2HD1 ILE 14 -2.251 -3.690 -6.306
110 H GLY 15 H GLY 15 2.112 -5.186 -6.907
111 HA2 GLY 15 2HA GLY 15 2.061 -5.267 -9.234
112 HA3 GLY 15 3HA GLY 15 1.466 -3.618 -9.252
113 H GLU 16 H GLU 16 2.759 -2.272 -10.320
114 HA GLU 16 HA GLU 16 5.552 -3.068 -10.804
115 HB2 GLU 16 2HB GLU 16 3.862 -0.788 -11.908
116 HB3 GLU 16 3HB GLU 16 5.523 -1.111 -12.386
117 HG2 GLU 16 2HG GLU 16 4.862 -3.311 -13.248
118 HG3 GLU 16 3HG GLU 16 3.200 -3.018 -12.741
119 H LEU 17 H LEU 17 3.940 -1.278 -8.498
120 HA LEU 17 HA LEU 17 5.830 0.933 -8.292
121 HB2 LEU 17 2HB LEU 17 3.431 1.106 -7.623
122 HB3 LEU 17 3HB LEU 17 3.738 -0.040 -6.314
123 HG LEU 17 HG LEU 17 5.374 1.605 -5.343
124 HD11 LEU 17 1HD1 LEU 17 5.291 3.918 -6.163
125 HD12 LEU 17 2HD1 LEU 17 5.904 2.800 -7.406
126 HD13 LEU 17 3HD1 LEU 17 4.233 3.406 -7.498
127 HD21 LEU 17 3HD2 LEU 17 3.039 1.423 -4.551
128 HD22 LEU 17 1HD2 LEU 17 3.610 3.108 -4.485
129 HD23 LEU 17 2HD2 LEU 17 2.526 2.586 -5.797
130 HA PRO 18 HA PRO 18 8.887 -1.510 -6.284
131 HB2 PRO 18 2HB PRO 18 9.901 1.282 -5.630
132 HB3 PRO 18 3HB PRO 18 10.795 -0.104 -6.268
133 HG2 PRO 18 2HG PRO 18 10.101 1.828 -7.958
134 HG3 PRO 18 3HG PRO 18 9.901 0.147 -8.461
135 HD2 PRO 18 2HD PRO 18 7.811 2.097 -7.414
136 HD3 PRO 18 3HD PRO 18 7.689 0.925 -8.787
137 H GLN 19 H GLN 19 9.258 -2.150 -4.179
138 HA GLN 19 HA GLN 19 7.499 -1.301 -2.104
139 HB2 GLN 19 2HB GLN 19 8.541 -3.529 -2.126
140 HB3 GLN 19 3HB GLN 19 10.135 -2.814 -1.943
141 HG2 GLN 19 2HG GLN 19 9.458 -3.658 0.172
142 HG3 GLN 19 3HG GLN 19 9.389 -1.875 0.258
143 HE21 GLN 19 1HE2 GLN 19 7.790 -1.366 1.612
144 HE22 GLN 19 2HE2 GLN 19 6.182 -2.009 1.556
145 H ASP 20 H ASP 20 7.546 0.293 -0.691
146 HA ASP 20 HA ASP 20 8.250 2.182 0.418
147 HB2 ASP 20 2HB ASP 20 11.019 0.953 0.111
148 HB3 ASP 20 3HB ASP 20 10.605 2.281 1.186
149 H PHE 21 H PHE 21 8.097 2.109 -2.527
150 HA PHE 21 HA PHE 21 10.105 3.753 -3.680
151 HB2 PHE 21 2HB PHE 21 8.355 2.570 -4.984
152 HB3 PHE 21 3HB PHE 21 7.130 3.639 -4.319
153 HD1 PHE 21 HD1 PHE 21 10.205 3.578 -6.402
154 HD2 PHE 21 HD2 PHE 21 6.683 5.726 -5.293
155 HE1 PHE 21 HE1 PHE 21 10.601 5.175 -8.246
156 HE2 PHE 21 HE2 PHE 21 7.074 7.325 -7.138
157 HZ PHE 21 HZ PHE 21 9.035 7.049 -8.614
158 H LEU 22 H LEU 22 10.596 5.835 -3.558
159 HA LEU 22 HA LEU 22 8.643 7.852 -2.826
160 HB2 LEU 22 2HB LEU 22 9.116 6.937 -0.594
161 HB3 LEU 22 3HB LEU 22 10.849 7.167 -0.848
162 HG LEU 22 HG LEU 22 10.424 9.648 -0.997
163 HD11 LEU 22 1HD1 LEU 22 8.274 10.482 -0.154
164 HD12 LEU 22 2HD1 LEU 22 8.074 9.540 -1.651
165 HD13 LEU 22 3HD1 LEU 22 7.656 8.814 -0.081
166 HD21 LEU 22 3HD2 LEU 22 11.213 8.544 1.071
167 HD22 LEU 22 1HD2 LEU 22 10.120 9.897 1.443
168 HD23 LEU 22 2HD2 LEU 22 9.528 8.221 1.542
Start of MODEL 6
1 H MET 1 1H MET 1 -1.049 -1.508 -11.866
2 HA MET 1 HA MET 1 0.354 -2.025 -10.029
3 HB2 MET 1 2HB MET 1 1.768 -1.297 -12.622
4 HB3 MET 1 3HB MET 1 2.462 -2.306 -11.362
5 HG2 MET 1 2HG MET 1 0.667 -3.960 -11.686
6 HG3 MET 1 3HG MET 1 -0.049 -2.942 -12.939
7 HE1 MET 1 3HE MET 1 2.556 -5.599 -12.031
8 HE2 MET 1 1HE MET 1 3.824 -5.413 -13.266
9 HE3 MET 1 2HE MET 1 3.624 -4.174 -12.001
10 H ALA 2 H ALA 2 2.269 -1.564 -8.843
11 HA ALA 2 HA ALA 2 3.416 -0.160 -7.437
12 HB1 ALA 2 3HB ALA 2 3.531 1.594 -9.918
13 HB2 ALA 2 1HB ALA 2 4.542 1.788 -8.467
14 HB3 ALA 2 2HB ALA 2 4.698 0.328 -9.473
15 H THR 3 H THR 3 0.832 -0.070 -6.896
16 HA THR 3 HA THR 3 0.232 2.842 -6.577
17 HB THR 3 HB THR 3 -1.706 0.493 -6.715
18 HG1 THR 3 HG1 THR 3 -0.976 2.587 -8.490
19 HG21 THR 3 3HG2 THR 3 -2.215 3.472 -6.372
20 HG22 THR 3 1HG2 THR 3 -3.458 2.220 -6.590
21 HG23 THR 3 2HG2 THR 3 -2.452 2.228 -5.122
22 H THR 4 H THR 4 0.079 3.661 -4.609
23 HA THR 4 HA THR 4 0.731 1.976 -2.333
24 HB THR 4 HB THR 4 0.500 4.097 -1.019
25 HG1 THR 4 HG1 THR 4 -0.166 5.937 -2.028
26 HG21 THR 4 3HG2 THR 4 2.083 4.362 -3.603
27 HG22 THR 4 1HG2 THR 4 2.355 5.292 -2.112
28 HG23 THR 4 2HG2 THR 4 2.634 3.535 -2.128
29 H VAL 5 H VAL 5 -0.517 1.204 -0.746
30 HA VAL 5 HA VAL 5 -3.409 1.944 -0.799
31 HB VAL 5 HB VAL 5 -2.253 -0.850 -0.411
32 HG11 VAL 5 1HG1 VAL 5 -4.584 -1.584 -0.315
33 HG12 VAL 5 2HG1 VAL 5 -4.180 -0.473 1.016
34 HG13 VAL 5 3HG1 VAL 5 -5.120 0.112 -0.379
35 HG21 VAL 5 3HG2 VAL 5 -2.229 -0.094 -2.763
36 HG22 VAL 5 1HG2 VAL 5 -3.455 -1.358 -2.512
37 HG23 VAL 5 2HG2 VAL 5 -3.948 0.347 -2.640
38 H SER 6 H SER 6 -4.138 2.653 1.079
39 HA SER 6 HA SER 6 -2.363 2.736 3.367
40 HB2 SER 6 2HB SER 6 -3.864 4.595 2.858
41 HB3 SER 6 3HB SER 6 -5.266 3.552 3.029
42 HG SER 6 HG SER 6 -4.033 3.165 5.194
43 H THR 7 H THR 7 -1.997 0.560 3.901
44 HA THR 7 HA THR 7 -4.327 -0.954 4.935
45 HB THR 7 HB THR 7 -2.804 -2.852 5.123
46 HG1 THR 7 HG1 THR 7 -0.796 -0.948 4.413
47 HG21 THR 7 3HG2 THR 7 -2.354 -1.345 2.518
48 HG22 THR 7 1HG2 THR 7 -2.127 -3.092 2.766
49 HG23 THR 7 2HG2 THR 7 -3.753 -2.379 2.891
50 H GLN 8 H GLN 8 -3.536 -2.368 6.967
51 HA GLN 8 HA GLN 8 -3.407 -0.491 9.143
52 HB2 GLN 8 2HB GLN 8 -3.414 -2.435 10.585
53 HB3 GLN 8 3HB GLN 8 -4.537 -2.722 9.264
54 HG2 GLN 8 2HG GLN 8 -1.725 -3.704 8.993
55 HG3 GLN 8 3HG GLN 8 -2.869 -4.578 10.050
56 HE21 GLN 8 1HE2 GLN 8 -2.881 -6.419 8.741
57 HE22 GLN 8 2HE2 GLN 8 -3.672 -6.449 7.201
58 H ARG 9 H ARG 9 -1.012 -1.882 7.160
59 HA ARG 9 HA ARG 9 1.093 -1.308 9.190
60 HB2 ARG 9 2HB ARG 9 1.227 -2.761 6.527
61 HB3 ARG 9 3HB ARG 9 2.617 -2.433 7.549
62 HG2 ARG 9 2HG ARG 9 1.612 -3.798 9.345
63 HG3 ARG 9 3HG ARG 9 0.234 -4.154 8.276
64 HD2 ARG 9 2HD ARG 9 1.728 -5.192 6.681
65 HD3 ARG 9 3HD ARG 9 3.119 -4.811 7.722
66 HE ARG 9 HE ARG 9 1.219 -6.257 9.234
67 HH11 ARG 9 1HH1 ARG 9 3.445 -6.715 6.555
68 HH12 ARG 9 2HH1 ARG 9 3.687 -8.416 6.883
69 HH21 ARG 9 1HH2 ARG 9 1.541 -8.466 9.650
70 HH22 ARG 9 2HH2 ARG 9 2.610 -9.409 8.635
71 H GLY 10 H GLY 10 -0.605 0.487 7.216
72 HA2 GLY 10 2HA GLY 10 0.012 2.723 6.607
73 HA3 GLY 10 3HA GLY 10 1.695 2.237 6.530
74 HA PRO 11 HA PRO 11 -0.184 2.494 2.231
75 HB2 PRO 11 2HB PRO 11 2.396 4.057 1.915
76 HB3 PRO 11 3HB PRO 11 0.807 4.375 1.208
77 HG2 PRO 11 2HG PRO 11 1.593 5.860 3.275
78 HG3 PRO 11 3HG PRO 11 -0.071 5.273 3.229
79 HD2 PRO 11 2HD PRO 11 2.312 4.154 4.766
80 HD3 PRO 11 3HD PRO 11 0.618 4.428 5.338
81 H VAL 12 H VAL 12 0.225 0.649 1.169
82 HA VAL 12 HA VAL 12 3.081 -0.154 0.811
83 HB VAL 12 HB VAL 12 2.346 -2.513 0.788
84 HG11 VAL 12 1HG1 VAL 12 1.857 -2.751 3.173
85 HG12 VAL 12 2HG1 VAL 12 3.140 -1.555 2.872
86 HG13 VAL 12 3HG1 VAL 12 1.493 -1.012 3.271
87 HG21 VAL 12 3HG2 VAL 12 0.033 -2.136 0.001
88 HG22 VAL 12 1HG2 VAL 12 0.048 -3.083 1.508
89 HG23 VAL 12 2HG2 VAL 12 -0.367 -1.352 1.549
90 H TYR 13 H TYR 13 3.570 -1.273 -1.160
91 HA TYR 13 HA TYR 13 1.970 -0.137 -3.372
92 HB2 TYR 13 2HB TYR 13 4.748 -1.356 -3.213
93 HB3 TYR 13 3HB TYR 13 3.977 -0.970 -4.746
94 HD1 TYR 13 HD1 TYR 13 5.273 0.458 -1.586
95 HD2 TYR 13 HD2 TYR 13 3.828 1.265 -5.545
96 HE1 TYR 13 HE1 TYR 13 6.073 2.790 -1.403
97 HE2 TYR 13 HE2 TYR 13 4.629 3.596 -5.362
98 HH TYR 13 HH TYR 13 6.208 4.772 -2.400
99 H ILE 14 H ILE 14 0.740 -1.247 -4.720
100 HA ILE 14 HA ILE 14 0.900 -4.226 -4.597
101 HB ILE 14 HB ILE 14 -1.390 -4.216 -5.558
102 HG12 ILE 14 2HG1 ILE 14 -1.298 -1.207 -5.258
103 HG13 ILE 14 3HG1 ILE 14 -1.102 -2.052 -6.786
104 HG21 ILE 14 1HG2 ILE 14 -2.562 -3.332 -3.581
105 HG22 ILE 14 2HG2 ILE 14 -1.103 -4.233 -3.110
106 HG23 ILE 14 3HG2 ILE 14 -1.091 -2.454 -3.097
107 HD11 ILE 14 3HD1 ILE 14 -3.541 -2.175 -4.999
108 HD12 ILE 14 1HD1 ILE 14 -3.382 -1.253 -6.512
109 HD13 ILE 14 2HD1 ILE 14 -3.343 -3.032 -6.546
110 H GLY 15 H GLY 15 0.704 -5.431 -6.554
111 HA2 GLY 15 2HA GLY 15 1.257 -5.878 -8.775
112 HA3 GLY 15 3HA GLY 15 1.100 -4.168 -9.133
113 H GLU 16 H GLU 16 2.916 -3.198 -9.769
114 HA GLU 16 HA GLU 16 5.531 -4.349 -9.417
115 HB2 GLU 16 2HB GLU 16 4.987 -2.843 -11.296
116 HB3 GLU 16 3HB GLU 16 4.699 -1.520 -10.176
117 HG2 GLU 16 2HG GLU 16 7.042 -1.536 -9.502
118 HG3 GLU 16 3HG GLU 16 7.352 -2.928 -10.539
119 H LEU 17 H LEU 17 7.151 -3.923 -8.014
120 HA LEU 17 HA LEU 17 6.408 -2.226 -5.669
121 HB2 LEU 17 2HB LEU 17 8.296 -4.606 -5.746
122 HB3 LEU 17 3HB LEU 17 7.838 -3.677 -4.316
123 HG LEU 17 HG LEU 17 5.940 -5.377 -5.972
124 HD11 LEU 17 1HD1 LEU 17 6.019 -6.905 -4.054
125 HD12 LEU 17 2HD1 LEU 17 7.617 -6.721 -4.812
126 HD13 LEU 17 3HD1 LEU 17 7.254 -5.880 -3.287
127 HD21 LEU 17 3HD2 LEU 17 4.867 -3.451 -4.851
128 HD22 LEU 17 1HD2 LEU 17 4.402 -4.985 -4.077
129 HD23 LEU 17 2HD2 LEU 17 5.616 -3.932 -3.309
130 HA PRO 18 HA PRO 18 10.014 -0.242 -7.550
131 HB2 PRO 18 2HB PRO 18 9.206 2.352 -7.230
132 HB3 PRO 18 3HB PRO 18 8.590 1.339 -8.544
133 HG2 PRO 18 2HG PRO 18 7.316 1.949 -5.841
134 HG3 PRO 18 3HG PRO 18 6.573 2.027 -7.442
135 HD2 PRO 18 2HD PRO 18 6.270 -0.158 -5.831
136 HD3 PRO 18 3HD PRO 18 6.369 -0.311 -7.631
137 H GLN 19 H GLN 19 8.429 0.006 -4.463
138 HA GLN 19 HA GLN 19 10.982 0.932 -3.233
139 HB2 GLN 19 2HB GLN 19 8.181 1.901 -2.540
140 HB3 GLN 19 3HB GLN 19 9.612 2.231 -1.575
141 HG2 GLN 19 2HG GLN 19 9.239 3.075 -4.456
142 HG3 GLN 19 3HG GLN 19 8.976 4.109 -3.025
143 HE21 GLN 19 1HE2 GLN 19 11.003 3.826 -5.445
144 HE22 GLN 19 2HE2 GLN 19 12.525 4.146 -4.678
145 H ASP 20 H ASP 20 7.733 -0.354 -2.430
146 HA ASP 20 HA ASP 20 8.816 -1.662 -0.047
147 HB2 ASP 20 2HB ASP 20 6.520 -0.632 -0.140
148 HB3 ASP 20 3HB ASP 20 6.039 -1.885 -1.277
149 H PHE 21 H PHE 21 10.392 -2.956 -1.269
150 HA PHE 21 HA PHE 21 9.454 -5.067 -3.012
151 HB2 PHE 21 2HB PHE 21 12.085 -4.580 -1.574
152 HB3 PHE 21 3HB PHE 21 11.811 -5.981 -2.597
153 HD1 PHE 21 HD2 PHE 21 11.486 -5.720 -5.019
154 HD2 PHE 21 HD1 PHE 21 12.388 -2.386 -2.504
155 HE1 PHE 21 HE2 PHE 21 12.117 -4.395 -7.008
156 HE2 PHE 21 HE1 PHE 21 13.018 -1.057 -4.491
157 HZ PHE 21 HZ PHE 21 12.882 -2.061 -6.742
158 H LEU 22 H LEU 22 9.128 -7.213 -2.631
159 HA LEU 22 HA LEU 22 8.940 -7.969 0.256
160 HB2 LEU 22 2HB LEU 22 7.129 -8.820 -2.032
161 HB3 LEU 22 3HB LEU 22 6.999 -9.364 -0.357
162 HG LEU 22 HG LEU 22 6.614 -6.499 -1.295
163 HD11 LEU 22 1HD1 LEU 22 4.237 -6.926 -0.851
164 HD12 LEU 22 2HD1 LEU 22 4.869 -7.988 -2.130
165 HD13 LEU 22 3HD1 LEU 22 4.612 -8.627 -0.489
166 HD21 LEU 22 3HD2 LEU 22 7.454 -6.707 1.022
167 HD22 LEU 22 1HD2 LEU 22 5.756 -6.172 1.001
168 HD23 LEU 22 2HD2 LEU 22 6.151 -7.864 1.390
Start of MODEL 7
1 H MET 1 1H MET 1 -1.324 -1.552 -11.814
2 HA MET 1 HA MET 1 0.008 -2.101 -9.934
3 HB2 MET 1 2HB MET 1 1.507 -1.345 -12.470
4 HB3 MET 1 3HB MET 1 2.171 -2.356 -11.195
5 HG2 MET 1 2HG MET 1 0.438 -4.038 -11.585
6 HG3 MET 1 3HG MET 1 -0.309 -3.011 -12.813
7 HE1 MET 1 3HE MET 1 2.557 -5.454 -11.904
8 HE2 MET 1 1HE MET 1 3.741 -5.198 -13.209
9 HE3 MET 1 2HE MET 1 3.475 -3.929 -11.987
10 H ALA 2 H ALA 2 1.918 -1.672 -8.705
11 HA ALA 2 HA ALA 2 3.137 -0.307 -7.321
12 HB1 ALA 2 3HB ALA 2 3.205 1.486 -9.775
13 HB2 ALA 2 1HB ALA 2 4.259 1.642 -8.351
14 HB3 ALA 2 2HB ALA 2 4.366 0.196 -9.384
15 H THR 3 H THR 3 0.614 -0.192 -6.643
16 HA THR 3 HA THR 3 -0.034 2.712 -6.383
17 HB THR 3 HB THR 3 -1.860 0.283 -6.139
18 HG1 THR 3 HG1 THR 3 -1.676 2.374 -8.080
19 HG21 THR 3 3HG2 THR 3 -2.469 3.257 -5.944
20 HG22 THR 3 1HG2 THR 3 -3.669 1.944 -5.932
21 HG23 THR 3 2HG2 THR 3 -2.506 2.100 -4.594
22 H THR 4 H THR 4 0.230 3.646 -4.498
23 HA THR 4 HA THR 4 1.069 2.075 -2.200
24 HB THR 4 HB THR 4 1.137 4.312 -1.041
25 HG1 THR 4 HG1 THR 4 0.045 5.883 -1.922
26 HG21 THR 4 3HG2 THR 4 2.463 4.202 -3.777
27 HG22 THR 4 1HG2 THR 4 2.966 5.229 -2.414
28 HG23 THR 4 2HG2 THR 4 3.091 3.457 -2.288
29 H VAL 5 H VAL 5 -0.889 0.756 -2.069
30 HA VAL 5 HA VAL 5 -3.373 1.997 -1.234
31 HB VAL 5 HB VAL 5 -2.408 -0.890 -1.081
32 HG11 VAL 5 1HG1 VAL 5 -4.761 -1.478 -0.760
33 HG12 VAL 5 2HG1 VAL 5 -4.133 -0.483 0.575
34 HG13 VAL 5 3HG1 VAL 5 -5.178 0.249 -0.667
35 HG21 VAL 5 3HG2 VAL 5 -2.591 0.012 -3.374
36 HG22 VAL 5 1HG2 VAL 5 -3.868 -1.184 -3.057
37 HG23 VAL 5 2HG2 VAL 5 -4.250 0.553 -3.031
38 H SER 6 H SER 6 -3.973 2.643 0.712
39 HA SER 6 HA SER 6 -2.169 2.431 2.963
40 HB2 SER 6 2HB SER 6 -3.577 4.387 2.704
41 HB3 SER 6 3HB SER 6 -5.032 3.402 2.719
42 HG SER 6 HG SER 6 -3.875 2.692 4.843
43 H THR 7 H THR 7 -1.897 0.742 4.220
44 HA THR 7 HA THR 7 -4.281 -0.973 4.784
45 HB THR 7 HB THR 7 -2.835 -2.907 4.968
46 HG1 THR 7 HG1 THR 7 -0.709 -1.051 4.518
47 HG21 THR 7 3HG2 THR 7 -2.104 -1.304 2.487
48 HG22 THR 7 1HG2 THR 7 -1.953 -3.066 2.673
49 HG23 THR 7 2HG2 THR 7 -3.561 -2.304 2.684
50 H GLN 8 H GLN 8 -3.524 -2.464 6.816
51 HA GLN 8 HA GLN 8 -3.519 -0.639 9.043
52 HB2 GLN 8 2HB GLN 8 -3.567 -2.608 10.434
53 HB3 GLN 8 3HB GLN 8 -4.601 -2.907 9.045
54 HG2 GLN 8 2HG GLN 8 -1.749 -3.798 8.924
55 HG3 GLN 8 3HG GLN 8 -2.923 -4.723 9.902
56 HE21 GLN 8 1HE2 GLN 8 -2.771 -6.540 8.557
57 HE22 GLN 8 2HE2 GLN 8 -3.484 -6.573 6.978
58 H ARG 9 H ARG 9 -1.026 -1.916 7.111
59 HA ARG 9 HA ARG 9 0.987 -1.372 9.242
60 HB2 ARG 9 2HB ARG 9 1.213 -2.833 6.592
61 HB3 ARG 9 3HB ARG 9 2.584 -2.465 7.626
62 HG2 ARG 9 2HG ARG 9 1.620 -3.837 9.418
63 HG3 ARG 9 3HG ARG 9 0.220 -4.202 8.379
64 HD2 ARG 9 2HD ARG 9 3.074 -4.814 7.658
65 HD3 ARG 9 3HD ARG 9 1.959 -5.961 8.436
66 HE ARG 9 HE ARG 9 0.612 -5.050 6.202
67 HH11 ARG 9 1HH1 ARG 9 3.678 -6.649 6.822
68 HH12 ARG 9 2HH1 ARG 9 3.694 -7.486 5.286
69 HH21 ARG 9 1HH2 ARG 9 0.645 -6.142 4.212
70 HH22 ARG 9 2HH2 ARG 9 1.978 -7.199 3.808
71 H GLY 10 H GLY 10 -0.628 0.467 7.280
72 HA2 GLY 10 2HA GLY 10 0.068 2.715 6.753
73 HA3 GLY 10 3HA GLY 10 1.723 2.158 6.592
74 HA PRO 11 HA PRO 11 -0.293 2.415 2.395
75 HB2 PRO 11 2HB PRO 11 1.391 4.300 1.306
76 HB3 PRO 11 3HB PRO 11 -0.068 4.737 2.206
77 HG2 PRO 11 2HG PRO 11 2.813 4.593 3.187
78 HG3 PRO 11 3HG PRO 11 1.637 5.886 3.434
79 HD2 PRO 11 2HD PRO 11 2.081 4.003 5.349
80 HD3 PRO 11 3HD PRO 11 0.429 4.686 5.067
81 H VAL 12 H VAL 12 0.360 0.726 1.211
82 HA VAL 12 HA VAL 12 3.286 0.350 0.758
83 HB VAL 12 HB VAL 12 2.960 -2.095 0.893
84 HG11 VAL 12 1HG1 VAL 12 2.652 -2.275 3.314
85 HG12 VAL 12 2HG1 VAL 12 3.695 -0.902 2.876
86 HG13 VAL 12 3HG1 VAL 12 2.004 -0.619 3.354
87 HG21 VAL 12 3HG2 VAL 12 0.579 -2.154 0.240
88 HG22 VAL 12 1HG2 VAL 12 0.836 -2.998 1.785
89 HG23 VAL 12 2HG2 VAL 12 0.137 -1.362 1.772
90 H TYR 13 H TYR 13 3.861 -0.706 -1.198
91 HA TYR 13 HA TYR 13 2.102 0.044 -3.393
92 HB2 TYR 13 2HB TYR 13 4.817 -1.319 -3.276
93 HB3 TYR 13 3HB TYR 13 3.972 -1.006 -4.786
94 HD1 TYR 13 HD1 TYR 13 5.675 0.531 -1.904
95 HD2 TYR 13 HD2 TYR 13 3.788 1.215 -5.697
96 HE1 TYR 13 HE1 TYR 13 6.626 2.811 -1.967
97 HE2 TYR 13 HE2 TYR 13 4.739 3.495 -5.758
98 HH TYR 13 HH TYR 13 6.789 4.705 -3.116
99 H ILE 14 H ILE 14 0.931 -1.205 -4.754
100 HA ILE 14 HA ILE 14 1.212 -4.162 -4.430
101 HB ILE 14 HB ILE 14 -1.163 -4.402 -5.066
102 HG12 ILE 14 2HG1 ILE 14 -1.383 -1.393 -4.887
103 HG13 ILE 14 3HG1 ILE 14 -1.197 -2.256 -6.406
104 HG21 ILE 14 1HG2 ILE 14 -2.171 -3.512 -3.004
105 HG22 ILE 14 2HG2 ILE 14 -0.583 -4.245 -2.675
106 HG23 ILE 14 3HG2 ILE 14 -0.747 -2.476 -2.751
107 HD11 ILE 14 3HD1 ILE 14 -3.461 -2.624 -4.433
108 HD12 ILE 14 1HD1 ILE 14 -3.532 -1.737 -5.973
109 HD13 ILE 14 2HD1 ILE 14 -3.271 -3.498 -5.971
110 H GLY 15 H GLY 15 0.862 -5.429 -6.334
111 HA2 GLY 15 2HA GLY 15 0.578 -5.720 -8.680
112 HA3 GLY 15 3HA GLY 15 0.752 -3.991 -8.918
113 H GLU 16 H GLU 16 2.809 -3.059 -9.091
114 HA GLU 16 HA GLU 16 4.848 -4.727 -10.206
115 HB2 GLU 16 2HB GLU 16 4.569 -2.322 -10.763
116 HB3 GLU 16 3HB GLU 16 5.047 -1.885 -9.128
117 HG2 GLU 16 2HG GLU 16 7.270 -2.809 -9.490
118 HG3 GLU 16 3HG GLU 16 6.805 -3.365 -11.096
119 H LEU 17 H LEU 17 4.548 -3.128 -7.028
120 HA LEU 17 HA LEU 17 6.640 -5.016 -6.038
121 HB2 LEU 17 2HB LEU 17 6.200 -2.138 -5.164
122 HB3 LEU 17 3HB LEU 17 7.376 -3.259 -4.469
123 HG LEU 17 HG LEU 17 7.423 -2.289 -7.349
124 HD11 LEU 17 1HD1 LEU 17 9.287 -0.872 -6.612
125 HD12 LEU 17 2HD1 LEU 17 7.770 -0.448 -5.784
126 HD13 LEU 17 3HD1 LEU 17 9.017 -1.390 -4.932
127 HD21 LEU 17 3HD2 LEU 17 8.476 -4.493 -6.963
128 HD22 LEU 17 1HD2 LEU 17 9.701 -3.249 -7.307
129 HD23 LEU 17 2HD2 LEU 17 9.437 -3.801 -5.635
130 HA PRO 18 HA PRO 18 2.595 -5.750 -4.026
131 HB2 PRO 18 2HB PRO 18 4.160 -8.315 -3.490
132 HB3 PRO 18 3HB PRO 18 2.445 -8.126 -3.874
133 HG2 PRO 18 2HG PRO 18 4.089 -8.875 -5.823
134 HG3 PRO 18 3HG PRO 18 2.867 -7.648 -6.170
135 HD2 PRO 18 2HD PRO 18 5.834 -7.300 -5.618
136 HD3 PRO 18 3HD PRO 18 4.784 -6.436 -6.812
137 H GLN 19 H GLN 19 2.190 -5.143 -1.977
138 HA GLN 19 HA GLN 19 2.548 -4.528 0.215
139 HB2 GLN 19 2HB GLN 19 4.223 -7.071 0.225
140 HB3 GLN 19 3HB GLN 19 3.651 -6.226 1.656
141 HG2 GLN 19 2HG GLN 19 1.321 -6.648 0.970
142 HG3 GLN 19 3HG GLN 19 1.928 -7.546 -0.450
143 HE21 GLN 19 1HE2 GLN 19 1.943 -9.674 -0.220
144 HE22 GLN 19 2HE2 GLN 19 2.145 -10.536 1.269
145 H ASP 20 H ASP 20 4.063 -3.037 -1.422
146 HA ASP 20 HA ASP 20 5.976 -1.759 -1.559
147 HB2 ASP 20 2HB ASP 20 5.120 -1.262 0.801
148 HB3 ASP 20 3HB ASP 20 6.323 -2.400 1.391
149 H PHE 21 H PHE 21 6.488 -4.149 -2.593
150 HA PHE 21 HA PHE 21 8.529 -5.685 -1.324
151 HB2 PHE 21 2HB PHE 21 7.137 -6.482 -3.235
152 HB3 PHE 21 3HB PHE 21 7.964 -5.354 -4.299
153 HD1 PHE 21 HD1 PHE 21 8.511 -8.290 -2.087
154 HD2 PHE 21 HD2 PHE 21 10.000 -5.918 -5.313
155 HE1 PHE 21 HE1 PHE 21 10.257 -9.984 -2.525
156 HE2 PHE 21 HE2 PHE 21 11.745 -7.612 -5.756
157 HZ PHE 21 HZ PHE 21 11.873 -9.646 -4.360
158 H LEU 22 H LEU 22 10.665 -5.499 -1.175
159 HA LEU 22 HA LEU 22 11.923 -3.187 -2.590
160 HB2 LEU 22 2HB LEU 22 12.750 -4.515 0.015
161 HB3 LEU 22 3HB LEU 22 13.557 -3.142 -0.749
162 HG LEU 22 HG LEU 22 10.733 -3.128 0.373
163 HD11 LEU 22 1HD1 LEU 22 11.706 -1.695 2.111
164 HD12 LEU 22 2HD1 LEU 22 12.447 -3.312 2.103
165 HD13 LEU 22 3HD1 LEU 22 13.321 -1.930 1.401
166 HD21 LEU 22 3HD2 LEU 22 11.039 -1.611 -1.555
167 HD22 LEU 22 1HD2 LEU 22 10.877 -0.695 -0.037
168 HD23 LEU 22 2HD2 LEU 22 12.481 -0.915 -0.778
Start of MODEL 8
1 H MET 1 1H MET 1 -2.208 -2.163 -11.175
2 HA MET 1 HA MET 1 -0.808 -2.532 -9.300
3 HB2 MET 1 2HB MET 1 0.503 -2.888 -12.023
4 HB3 MET 1 3HB MET 1 1.031 -3.689 -10.551
5 HG2 MET 1 2HG MET 1 -1.110 -4.863 -10.387
6 HG3 MET 1 3HG MET 1 -1.704 -4.016 -11.817
7 HE1 MET 1 3HE MET 1 0.357 -6.932 -10.400
8 HE2 MET 1 1HE MET 1 1.463 -7.364 -11.726
9 HE3 MET 1 2HE MET 1 1.697 -5.842 -10.830
10 H ALA 2 H ALA 2 1.350 -2.356 -8.421
11 HA ALA 2 HA ALA 2 3.008 -1.038 -7.538
12 HB1 ALA 2 3HB ALA 2 3.074 0.117 -10.350
13 HB2 ALA 2 1HB ALA 2 4.331 0.338 -9.110
14 HB3 ALA 2 2HB ALA 2 4.003 -1.283 -9.768
15 H THR 3 H THR 3 0.677 -0.216 -6.679
16 HA THR 3 HA THR 3 0.903 2.759 -6.806
17 HB THR 3 HB THR 3 -1.545 2.940 -6.590
18 HG1 THR 3 HG1 THR 3 -2.148 1.066 -5.596
19 HG21 THR 3 3HG2 THR 3 -0.714 1.127 -8.888
20 HG22 THR 3 1HG2 THR 3 -2.173 2.144 -8.836
21 HG23 THR 3 2HG2 THR 3 -0.561 2.899 -8.856
22 H THR 4 H THR 4 0.075 3.883 -4.920
23 HA THR 4 HA THR 4 0.878 2.374 -2.502
24 HB THR 4 HB THR 4 0.420 5.360 -2.920
25 HG1 THR 4 HG1 THR 4 2.896 4.062 -2.448
26 HG21 THR 4 3HG2 THR 4 1.598 3.825 -0.572
27 HG22 THR 4 1HG2 THR 4 1.522 5.596 -0.729
28 HG23 THR 4 2HG2 THR 4 0.022 4.648 -0.588
29 H VAL 5 H VAL 5 -0.566 1.486 -1.237
30 HA VAL 5 HA VAL 5 -3.175 2.892 -0.885
31 HB VAL 5 HB VAL 5 -2.748 -0.111 -1.193
32 HG11 VAL 5 1HG1 VAL 5 -5.176 -0.296 -0.943
33 HG12 VAL 5 2HG1 VAL 5 -4.403 0.357 0.520
34 HG13 VAL 5 3HG1 VAL 5 -5.271 1.445 -0.590
35 HG21 VAL 5 3HG2 VAL 5 -2.718 1.139 -3.324
36 HG22 VAL 5 1HG2 VAL 5 -4.199 0.165 -3.178
37 HG23 VAL 5 2HG2 VAL 5 -4.257 1.920 -2.890
38 H SER 6 H SER 6 -3.849 3.126 1.157
39 HA SER 6 HA SER 6 -2.051 2.424 3.314
40 HB2 SER 6 2HB SER 6 -3.354 4.467 3.421
41 HB3 SER 6 3HB SER 6 -4.860 3.571 3.281
42 HG SER 6 HG SER 6 -3.745 2.435 5.229
43 H THR 7 H THR 7 -1.825 0.426 4.024
44 HA THR 7 HA THR 7 -4.303 -1.210 4.370
45 HB THR 7 HB THR 7 -2.963 -3.210 4.115
46 HG1 THR 7 HG1 THR 7 -0.720 -1.448 3.918
47 HG21 THR 7 3HG2 THR 7 -2.174 -1.168 2.003
48 HG22 THR 7 1HG2 THR 7 -2.119 -2.936 1.817
49 HG23 THR 7 2HG2 THR 7 -3.683 -2.112 2.023
50 H GLN 8 H GLN 8 -3.062 -3.214 5.940
51 HA GLN 8 HA GLN 8 -3.310 -2.044 8.550
52 HB2 GLN 8 2HB GLN 8 -2.254 -4.746 7.633
53 HB3 GLN 8 3HB GLN 8 -2.457 -4.306 9.322
54 HG2 GLN 8 2HG GLN 8 -4.856 -4.004 8.987
55 HG3 GLN 8 3HG GLN 8 -4.665 -4.405 7.256
56 HE21 GLN 8 1HE2 GLN 8 -6.364 -5.768 9.121
57 HE22 GLN 8 2HE2 GLN 8 -5.790 -7.397 9.251
58 H ARG 9 H ARG 9 -0.677 -2.329 6.355
59 HA ARG 9 HA ARG 9 1.264 -1.745 8.538
60 HB2 ARG 9 2HB ARG 9 1.694 -2.525 5.634
61 HB3 ARG 9 3HB ARG 9 2.986 -2.122 6.755
62 HG2 ARG 9 2HG ARG 9 2.334 -4.030 8.183
63 HG3 ARG 9 3HG ARG 9 1.062 -4.446 7.009
64 HD2 ARG 9 2HD ARG 9 2.976 -5.812 6.623
65 HD3 ARG 9 3HD ARG 9 2.801 -4.661 5.278
66 HE ARG 9 HE ARG 9 4.586 -3.814 7.426
67 HH11 ARG 9 1HH1 ARG 9 4.277 -5.438 4.325
68 HH12 ARG 9 2HH1 ARG 9 5.958 -5.212 3.898
69 HH21 ARG 9 1HH2 ARG 9 6.766 -3.527 6.860
70 HH22 ARG 9 2HH2 ARG 9 7.368 -4.130 5.332
71 H GLY 10 H GLY 10 -0.817 0.036 7.016
72 HA2 GLY 10 2HA GLY 10 -0.811 2.366 6.658
73 HA3 GLY 10 3HA GLY 10 0.937 2.382 6.798
74 HA PRO 11 HA PRO 11 -0.271 3.019 2.350
75 HB2 PRO 11 2HB PRO 11 2.119 4.858 2.684
76 HB3 PRO 11 3HB PRO 11 0.619 5.134 1.789
77 HG2 PRO 11 2HG PRO 11 0.915 6.316 4.157
78 HG3 PRO 11 3HG PRO 11 -0.640 5.583 3.756
79 HD2 PRO 11 2HD PRO 11 1.619 4.468 5.472
80 HD3 PRO 11 3HD PRO 11 -0.162 4.461 5.791
81 H VAL 12 H VAL 12 0.440 1.202 1.370
82 HA VAL 12 HA VAL 12 3.387 0.915 1.018
83 HB VAL 12 HB VAL 12 3.150 -1.546 1.176
84 HG11 VAL 12 1HG1 VAL 12 2.840 -1.698 3.598
85 HG12 VAL 12 2HG1 VAL 12 3.836 -0.296 3.141
86 HG13 VAL 12 3HG1 VAL 12 2.135 -0.064 3.610
87 HG21 VAL 12 3HG2 VAL 12 0.774 -1.697 0.517
88 HG22 VAL 12 1HG2 VAL 12 1.055 -2.507 2.076
89 HG23 VAL 12 2HG2 VAL 12 0.300 -0.896 2.034
90 H TYR 13 H TYR 13 3.995 -0.364 -0.867
91 HA TYR 13 HA TYR 13 2.278 0.302 -3.141
92 HB2 TYR 13 2HB TYR 13 4.983 -1.080 -2.944
93 HB3 TYR 13 3HB TYR 13 4.163 -0.749 -4.464
94 HD1 TYR 13 HD2 TYR 13 3.412 1.768 -4.807
95 HD2 TYR 13 HD1 TYR 13 6.499 0.455 -2.133
96 HE1 TYR 13 HE2 TYR 13 4.417 4.026 -4.857
97 HE2 TYR 13 HE1 TYR 13 7.503 2.713 -2.182
98 HH TYR 13 HH TYR 13 6.049 5.330 -4.122
99 H ILE 14 H ILE 14 1.094 -1.000 -4.392
100 HA ILE 14 HA ILE 14 1.041 -3.891 -3.639
101 HB ILE 14 HB ILE 14 -1.381 -3.904 -4.104
102 HG12 ILE 14 2HG1 ILE 14 -1.205 -0.904 -4.433
103 HG13 ILE 14 3HG1 ILE 14 -1.244 -2.023 -5.787
104 HG21 ILE 14 1HG2 ILE 14 -2.124 -2.564 -2.177
105 HG22 ILE 14 2HG2 ILE 14 -0.622 -3.441 -1.804
106 HG23 ILE 14 3HG2 ILE 14 -0.569 -1.700 -2.171
107 HD11 ILE 14 3HD1 ILE 14 -3.383 -1.742 -3.665
108 HD12 ILE 14 1HD1 ILE 14 -3.455 -1.122 -5.330
109 HD13 ILE 14 2HD1 ILE 14 -3.422 -2.877 -5.035
110 H GLY 15 H GLY 15 0.142 -5.313 -5.337
111 HA2 GLY 15 2HA GLY 15 -0.116 -5.975 -7.579
112 HA3 GLY 15 3HA GLY 15 0.215 -4.333 -8.099
113 H GLU 16 H GLU 16 2.209 -3.822 -8.850
114 HA GLU 16 HA GLU 16 4.013 -6.108 -9.255
115 HB2 GLU 16 2HB GLU 16 3.411 -4.645 -11.158
116 HB3 GLU 16 3HB GLU 16 4.108 -3.259 -10.331
117 HG2 GLU 16 2HG GLU 16 6.326 -4.277 -10.434
118 HG3 GLU 16 3HG GLU 16 5.649 -5.718 -11.192
119 H LEU 17 H LEU 17 4.334 -2.734 -8.076
120 HA LEU 17 HA LEU 17 7.120 -3.104 -7.435
121 HB2 LEU 17 2HB LEU 17 5.835 -0.924 -7.989
122 HB3 LEU 17 3HB LEU 17 5.335 -0.943 -6.295
123 HG LEU 17 HG LEU 17 7.772 -0.931 -5.650
124 HD11 LEU 17 1HD1 LEU 17 9.398 -0.296 -7.376
125 HD12 LEU 17 2HD1 LEU 17 8.662 -1.879 -7.718
126 HD13 LEU 17 3HD1 LEU 17 8.134 -0.439 -8.620
127 HD21 LEU 17 3HD2 LEU 17 6.387 1.116 -5.691
128 HD22 LEU 17 1HD2 LEU 17 8.061 1.464 -6.184
129 HD23 LEU 17 2HD2 LEU 17 6.778 1.346 -7.412
130 HA PRO 18 HA PRO 18 6.831 -5.219 -3.651
131 HB2 PRO 18 2HB PRO 18 9.325 -3.580 -3.036
132 HB3 PRO 18 3HB PRO 18 9.056 -5.314 -2.819
133 HG2 PRO 18 2HG PRO 18 10.467 -4.518 -4.926
134 HG3 PRO 18 3HG PRO 18 9.252 -5.779 -5.147
135 HD2 PRO 18 2HD PRO 18 9.078 -2.812 -5.797
136 HD3 PRO 18 3HD PRO 18 8.488 -4.228 -6.758
137 H GLN 19 H GLN 19 6.105 -4.825 -1.560
138 HA GLN 19 HA GLN 19 4.642 -2.449 -1.188
139 HB2 GLN 19 2HB GLN 19 5.555 -4.556 0.805
140 HB3 GLN 19 3HB GLN 19 4.472 -3.240 1.236
141 HG2 GLN 19 2HG GLN 19 2.810 -4.016 -0.340
142 HG3 GLN 19 3HG GLN 19 3.921 -5.288 -0.922
143 HE21 GLN 19 1HE2 GLN 19 1.386 -5.927 -0.017
144 HE22 GLN 19 2HE2 GLN 19 1.508 -6.786 1.482
145 H ASP 20 H ASP 20 7.844 -3.362 0.044
146 HA ASP 20 HA ASP 20 8.012 -0.704 1.385
147 HB2 ASP 20 2HB ASP 20 9.617 -3.258 1.795
148 HB3 ASP 20 3HB ASP 20 9.964 -1.734 2.602
149 H PHE 21 H PHE 21 8.386 -1.274 -1.526
150 HA PHE 21 HA PHE 21 11.128 -1.194 -2.230
151 HB2 PHE 21 2HB PHE 21 9.253 -1.551 -3.836
152 HB3 PHE 21 3HB PHE 21 8.783 0.130 -3.651
153 HD1 PHE 21 HD1 PHE 21 11.388 -2.138 -4.940
154 HD2 PHE 21 HD2 PHE 21 9.968 1.887 -4.752
155 HE1 PHE 21 HE1 PHE 21 12.945 -1.506 -6.753
156 HE2 PHE 21 HE2 PHE 21 11.522 2.523 -6.566
157 HZ PHE 21 HZ PHE 21 13.012 0.825 -7.566
158 H LEU 22 H LEU 22 12.661 0.309 -2.213
159 HA LEU 22 HA LEU 22 11.852 3.070 -1.404
160 HB2 LEU 22 2HB LEU 22 14.462 1.611 -0.864
161 HB3 LEU 22 3HB LEU 22 14.091 3.269 -0.382
162 HG LEU 22 HG LEU 22 12.671 0.781 0.636
163 HD11 LEU 22 1HD1 LEU 22 13.853 1.271 2.731
164 HD12 LEU 22 2HD1 LEU 22 14.985 0.930 1.401
165 HD13 LEU 22 3HD1 LEU 22 14.715 2.607 1.933
166 HD21 LEU 22 3HD2 LEU 22 11.233 2.791 0.559
167 HD22 LEU 22 1HD2 LEU 22 11.647 2.363 2.236
168 HD23 LEU 22 2HD2 LEU 22 12.479 3.716 1.431
Start of MODEL 9
1 H MET 1 1H MET 1 -1.464 -2.767 -10.785
2 HA MET 1 HA MET 1 0.430 -2.864 -9.367
3 HB2 MET 1 2HB MET 1 0.941 -2.154 -12.280
4 HB3 MET 1 3HB MET 1 2.152 -2.852 -11.214
5 HG2 MET 1 2HG MET 1 0.726 -4.851 -10.913
6 HG3 MET 1 3HG MET 1 -0.472 -4.150 -12.004
7 HE1 MET 1 3HE MET 1 -0.413 -6.325 -13.505
8 HE2 MET 1 1HE MET 1 1.084 -7.031 -14.160
9 HE3 MET 1 2HE MET 1 0.788 -7.042 -12.403
10 H ALA 2 H ALA 2 2.249 -1.941 -8.496
11 HA ALA 2 HA ALA 2 3.400 -0.212 -7.517
12 HB1 ALA 2 3HB ALA 2 3.059 1.026 -10.272
13 HB2 ALA 2 1HB ALA 2 4.216 1.564 -9.033
14 HB3 ALA 2 2HB ALA 2 4.379 -0.052 -9.762
15 H THR 3 H THR 3 0.761 -0.218 -6.838
16 HA THR 3 HA THR 3 0.083 2.694 -6.823
17 HB THR 3 HB THR 3 -1.777 0.293 -6.555
18 HG1 THR 3 HG1 THR 3 -1.198 2.156 -8.614
19 HG21 THR 3 3HG2 THR 3 -2.366 3.278 -6.536
20 HG22 THR 3 1HG2 THR 3 -3.578 1.975 -6.524
21 HG23 THR 3 2HG2 THR 3 -2.484 2.188 -5.136
22 H THR 4 H THR 4 -0.010 3.739 -4.957
23 HA THR 4 HA THR 4 0.778 2.276 -2.539
24 HB THR 4 HB THR 4 0.227 5.245 -2.964
25 HG1 THR 4 HG1 THR 4 2.740 3.940 -2.677
26 HG21 THR 4 3HG2 THR 4 1.578 3.759 -0.679
27 HG22 THR 4 1HG2 THR 4 1.446 5.526 -0.842
28 HG23 THR 4 2HG2 THR 4 -0.017 4.541 -0.609
29 H VAL 5 H VAL 5 -0.579 1.404 -1.169
30 HA VAL 5 HA VAL 5 -3.271 2.662 -0.864
31 HB VAL 5 HB VAL 5 -2.633 -0.320 -0.916
32 HG11 VAL 5 1HG1 VAL 5 -5.051 -0.636 -0.707
33 HG12 VAL 5 2HG1 VAL 5 -4.362 0.198 0.707
34 HG13 VAL 5 3HG1 VAL 5 -5.263 1.121 -0.520
35 HG21 VAL 5 3HG2 VAL 5 -2.619 0.730 -3.153
36 HG22 VAL 5 1HG2 VAL 5 -4.041 -0.320 -2.952
37 HG23 VAL 5 2HG2 VAL 5 -4.215 1.447 -2.829
38 H SER 6 H SER 6 -3.850 3.117 1.151
39 HA SER 6 HA SER 6 -2.028 2.551 3.340
40 HB2 SER 6 2HB SER 6 -3.248 4.650 3.278
41 HB3 SER 6 3HB SER 6 -4.789 3.807 3.242
42 HG SER 6 HG SER 6 -3.641 2.810 5.268
43 H THR 7 H THR 7 -1.867 0.572 4.137
44 HA THR 7 HA THR 7 -4.406 -0.916 4.659
45 HB THR 7 HB THR 7 -3.165 -2.990 4.480
46 HG1 THR 7 HG1 THR 7 -0.853 -1.354 4.086
47 HG21 THR 7 3HG2 THR 7 -2.368 -1.108 2.225
48 HG22 THR 7 1HG2 THR 7 -2.397 -2.885 2.141
49 HG23 THR 7 2HG2 THR 7 -3.914 -1.980 2.353
50 H GLN 8 H GLN 8 -3.336 -2.874 6.326
51 HA GLN 8 HA GLN 8 -3.361 -1.509 8.854
52 HB2 GLN 8 2HB GLN 8 -2.663 -4.373 8.101
53 HB3 GLN 8 3HB GLN 8 -2.753 -3.800 9.761
54 HG2 GLN 8 2HG GLN 8 -5.110 -3.239 9.468
55 HG3 GLN 8 3HG GLN 8 -5.027 -3.772 7.765
56 HE21 GLN 8 1HE2 GLN 8 -6.794 -4.788 9.805
57 HE22 GLN 8 2HE2 GLN 8 -6.416 -6.466 10.016
58 H ARG 9 H ARG 9 -0.859 -2.245 6.613
59 HA ARG 9 HA ARG 9 1.208 -1.727 8.696
60 HB2 ARG 9 2HB ARG 9 1.422 -2.824 5.874
61 HB3 ARG 9 3HB ARG 9 2.810 -2.427 6.875
62 HG2 ARG 9 2HG ARG 9 2.228 -4.128 8.479
63 HG3 ARG 9 3HG ARG 9 0.692 -4.449 7.640
64 HD2 ARG 9 2HD ARG 9 1.880 -5.217 5.697
65 HD3 ARG 9 3HD ARG 9 3.434 -4.813 6.459
66 HE ARG 9 HE ARG 9 3.313 -6.733 7.708
67 HH11 ARG 9 1HH1 ARG 9 0.177 -6.100 6.258
68 HH12 ARG 9 2HH1 ARG 9 -0.489 -7.651 6.718
69 HH21 ARG 9 1HH2 ARG 9 2.437 -8.743 8.301
70 HH22 ARG 9 2HH2 ARG 9 0.790 -9.148 7.875
71 H GLY 10 H GLY 10 -0.696 0.181 7.159
72 HA2 GLY 10 2HA GLY 10 -0.409 2.481 6.722
73 HA3 GLY 10 3HA GLY 10 1.331 2.268 6.741
74 HA PRO 11 HA PRO 11 -0.142 2.888 2.359
75 HB2 PRO 11 2HB PRO 11 2.388 4.556 2.456
76 HB3 PRO 11 3HB PRO 11 0.847 4.913 1.665
77 HG2 PRO 11 2HG PRO 11 1.409 6.147 3.958
78 HG3 PRO 11 3HG PRO 11 -0.222 5.521 3.701
79 HD2 PRO 11 2HD PRO 11 2.076 4.288 5.281
80 HD3 PRO 11 3HD PRO 11 0.331 4.435 5.738
81 H VAL 12 H VAL 12 0.386 1.067 1.297
82 HA VAL 12 HA VAL 12 3.285 0.499 0.884
83 HB VAL 12 HB VAL 12 2.802 -1.926 0.988
84 HG11 VAL 12 1HG1 VAL 12 2.495 -2.109 3.409
85 HG12 VAL 12 2HG1 VAL 12 3.623 -0.802 2.977
86 HG13 VAL 12 3HG1 VAL 12 1.957 -0.413 3.467
87 HG21 VAL 12 3HG2 VAL 12 0.419 -1.821 0.348
88 HG22 VAL 12 1HG2 VAL 12 0.628 -2.695 1.883
89 HG23 VAL 12 2HG2 VAL 12 0.038 -1.016 1.888
90 H TYR 13 H TYR 13 3.731 -0.801 -1.037
91 HA TYR 13 HA TYR 13 1.972 0.088 -3.237
92 HB2 TYR 13 2HB TYR 13 4.768 -1.094 -3.137
93 HB3 TYR 13 3HB TYR 13 3.897 -0.876 -4.649
94 HD1 TYR 13 HD1 TYR 13 5.370 0.883 -1.743
95 HD2 TYR 13 HD2 TYR 13 3.667 1.264 -5.663
96 HE1 TYR 13 HE1 TYR 13 6.148 3.227 -1.855
97 HE2 TYR 13 HE2 TYR 13 4.446 3.607 -5.773
98 HH TYR 13 HH TYR 13 5.470 5.257 -4.706
99 H ILE 14 H ILE 14 0.771 -1.164 -4.508
100 HA ILE 14 HA ILE 14 0.841 -4.099 -3.953
101 HB ILE 14 HB ILE 14 -1.502 -4.153 -4.763
102 HG12 ILE 14 2HG1 ILE 14 -1.329 -1.137 -4.919
103 HG13 ILE 14 3HG1 ILE 14 -1.240 -2.202 -6.314
104 HG21 ILE 14 1HG2 ILE 14 -2.531 -2.952 -2.877
105 HG22 ILE 14 2HG2 ILE 14 -1.066 -3.818 -2.360
106 HG23 ILE 14 3HG2 ILE 14 -1.015 -2.057 -2.614
107 HD11 ILE 14 3HD1 ILE 14 -3.572 -1.992 -4.397
108 HD12 ILE 14 1HD1 ILE 14 -3.482 -1.305 -6.035
109 HD13 ILE 14 2HD1 ILE 14 -3.482 -3.071 -5.809
110 H GLY 15 H GLY 15 0.504 -5.554 -5.708
111 HA2 GLY 15 2HA GLY 15 0.927 -6.332 -7.860
112 HA3 GLY 15 3HA GLY 15 0.694 -4.700 -8.459
113 H GLU 16 H GLU 16 2.426 -3.985 -9.527
114 HA GLU 16 HA GLU 16 5.100 -4.897 -9.166
115 HB2 GLU 16 2HB GLU 16 4.313 -3.693 -11.187
116 HB3 GLU 16 3HB GLU 16 4.101 -2.227 -10.240
117 HG2 GLU 16 2HG GLU 16 6.505 -2.137 -9.796
118 HG3 GLU 16 3HG GLU 16 6.739 -3.642 -10.683
119 H LEU 17 H LEU 17 6.773 -4.263 -7.931
120 HA LEU 17 HA LEU 17 6.130 -2.262 -5.807
121 HB2 LEU 17 2HB LEU 17 8.078 -4.590 -5.680
122 HB3 LEU 17 3HB LEU 17 7.682 -3.481 -4.363
123 HG LEU 17 HG LEU 17 5.726 -5.422 -5.646
124 HD11 LEU 17 1HD1 LEU 17 5.981 -6.694 -3.562
125 HD12 LEU 17 2HD1 LEU 17 7.516 -6.580 -4.455
126 HD13 LEU 17 3HD1 LEU 17 7.241 -5.559 -3.024
127 HD21 LEU 17 3HD2 LEU 17 4.686 -3.388 -4.700
128 HD22 LEU 17 1HD2 LEU 17 4.318 -4.819 -3.706
129 HD23 LEU 17 2HD2 LEU 17 5.555 -3.657 -3.169
130 HA PRO 18 HA PRO 18 9.530 -0.442 -8.143
131 HB2 PRO 18 2HB PRO 18 8.708 2.161 -8.003
132 HB3 PRO 18 3HB PRO 18 7.984 1.018 -9.142
133 HG2 PRO 18 2HG PRO 18 6.970 1.883 -6.400
134 HG3 PRO 18 3HG PRO 18 6.073 1.795 -7.920
135 HD2 PRO 18 2HD PRO 18 5.971 -0.221 -6.078
136 HD3 PRO 18 3HD PRO 18 5.891 -0.550 -7.855
137 H GLN 19 H GLN 19 8.242 0.094 -4.956
138 HA GLN 19 HA GLN 19 10.877 1.175 -4.075
139 HB2 GLN 19 2HB GLN 19 8.132 2.184 -3.227
140 HB3 GLN 19 3HB GLN 19 9.641 2.632 -2.443
141 HG2 GLN 19 2HG GLN 19 8.985 3.153 -5.350
142 HG3 GLN 19 3HG GLN 19 8.829 4.334 -4.019
143 HE21 GLN 19 1HE2 GLN 19 10.631 3.833 -6.572
144 HE22 GLN 19 2HE2 GLN 19 12.208 4.249 -5.989
145 H ASP 20 H ASP 20 7.741 -0.042 -2.834
146 HA ASP 20 HA ASP 20 9.074 -1.083 -0.444
147 HB2 ASP 20 2HB ASP 20 6.768 -0.070 -0.410
148 HB3 ASP 20 3HB ASP 20 6.190 -1.436 -1.355
149 H PHE 21 H PHE 21 10.535 -2.504 -1.657
150 HA PHE 21 HA PHE 21 9.453 -4.788 -3.067
151 HB2 PHE 21 2HB PHE 21 12.206 -4.154 -1.947
152 HB3 PHE 21 3HB PHE 21 11.847 -5.655 -2.787
153 HD1 PHE 21 HD2 PHE 21 11.294 -5.653 -5.179
154 HD2 PHE 21 HD1 PHE 21 12.396 -2.071 -3.130
155 HE1 PHE 21 HE2 PHE 21 11.722 -4.546 -7.348
156 HE2 PHE 21 HE1 PHE 21 12.821 -0.959 -5.296
157 HZ PHE 21 HZ PHE 21 12.484 -2.198 -7.406
158 H LEU 22 H LEU 22 9.186 -6.881 -2.427
159 HA LEU 22 HA LEU 22 9.287 -7.324 0.527
160 HB2 LEU 22 2HB LEU 22 7.269 -8.411 -1.469
161 HB3 LEU 22 3HB LEU 22 7.309 -8.774 0.260
162 HG LEU 22 HG LEU 22 6.808 -6.023 -0.933
163 HD11 LEU 22 1HD1 LEU 22 4.489 -6.399 -0.219
164 HD12 LEU 22 2HD1 LEU 22 5.004 -7.591 -1.436
165 HD13 LEU 22 3HD1 LEU 22 4.912 -8.054 0.280
166 HD21 LEU 22 3HD2 LEU 22 7.868 -5.989 1.301
167 HD22 LEU 22 1HD2 LEU 22 6.172 -5.457 1.388
168 HD23 LEU 22 2HD2 LEU 22 6.617 -7.099 1.911
Start of MODEL 10
1 H MET 1 1H MET 1 -0.971 -1.621 -12.051
2 HA MET 1 HA MET 1 0.329 -2.155 -10.146
3 HB2 MET 1 2HB MET 1 1.872 -1.513 -12.688
4 HB3 MET 1 3HB MET 1 2.492 -2.510 -11.380
5 HG2 MET 1 2HG MET 1 0.713 -4.148 -11.746
6 HG3 MET 1 3HG MET 1 0.006 -3.130 -13.003
7 HE1 MET 1 3HE MET 1 2.766 -5.656 -12.022
8 HE2 MET 1 1HE MET 1 3.975 -5.470 -13.315
9 HE3 MET 1 2HE MET 1 3.745 -4.172 -12.117
10 H ALA 2 H ALA 2 2.217 -1.742 -8.893
11 HA ALA 2 HA ALA 2 3.429 -0.367 -7.513
12 HB1 ALA 2 3HB ALA 2 3.629 1.340 -10.020
13 HB2 ALA 2 1HB ALA 2 4.643 1.512 -8.569
14 HB3 ALA 2 2HB ALA 2 4.738 0.030 -9.551
15 H THR 3 H THR 3 0.881 -0.156 -6.938
16 HA THR 3 HA THR 3 0.387 2.784 -6.697
17 HB THR 3 HB THR 3 -1.644 0.511 -6.790
18 HG1 THR 3 HG1 THR 3 -0.818 2.529 -8.611
19 HG21 THR 3 3HG2 THR 3 -2.033 3.515 -6.515
20 HG22 THR 3 1HG2 THR 3 -3.326 2.310 -6.709
21 HG23 THR 3 2HG2 THR 3 -2.323 2.310 -5.239
22 H THR 4 H THR 4 0.184 3.655 -4.748
23 HA THR 4 HA THR 4 0.784 1.989 -2.431
24 HB THR 4 HB THR 4 0.636 4.145 -1.164
25 HG1 THR 4 HG1 THR 4 -0.180 5.883 -2.095
26 HG21 THR 4 3HG2 THR 4 2.246 4.286 -3.741
27 HG22 THR 4 1HG2 THR 4 2.548 5.236 -2.268
28 HG23 THR 4 2HG2 THR 4 2.752 3.468 -2.245
29 H VAL 5 H VAL 5 -0.525 1.217 -0.916
30 HA VAL 5 HA VAL 5 -3.351 2.172 -0.897
31 HB VAL 5 HB VAL 5 -2.435 -0.732 -0.738
32 HG11 VAL 5 1HG1 VAL 5 -4.821 -1.270 -0.658
33 HG12 VAL 5 2HG1 VAL 5 -4.309 -0.302 0.744
34 HG13 VAL 5 3HG1 VAL 5 -5.210 0.465 -0.586
35 HG21 VAL 5 3HG2 VAL 5 -2.370 0.197 -3.026
36 HG22 VAL 5 1HG2 VAL 5 -3.699 -0.973 -2.852
37 HG23 VAL 5 2HG2 VAL 5 -4.045 0.772 -2.843
38 H SER 6 H SER 6 -4.046 2.743 1.045
39 HA SER 6 HA SER 6 -2.267 2.541 3.319
40 HB2 SER 6 2HB SER 6 -3.673 4.498 3.030
41 HB3 SER 6 3HB SER 6 -5.127 3.513 3.039
42 HG SER 6 HG SER 6 -3.955 2.825 5.178
43 H THR 7 H THR 7 -1.951 0.682 4.328
44 HA THR 7 HA THR 7 -4.370 -0.934 5.018
45 HB THR 7 HB THR 7 -2.967 -2.911 5.103
46 HG1 THR 7 HG1 THR 7 -0.807 -1.129 4.526
47 HG21 THR 7 3HG2 THR 7 -2.323 -1.279 2.617
48 HG22 THR 7 1HG2 THR 7 -2.208 -3.048 2.763
49 HG23 THR 7 2HG2 THR 7 -3.794 -2.247 2.872
50 H GLN 8 H GLN 8 -3.468 -2.525 6.965
51 HA GLN 8 HA GLN 8 -3.384 -0.778 9.250
52 HB2 GLN 8 2HB GLN 8 -3.302 -2.794 10.572
53 HB3 GLN 8 3HB GLN 8 -4.405 -3.075 9.231
54 HG2 GLN 8 2HG GLN 8 -1.545 -3.878 8.904
55 HG3 GLN 8 3HG GLN 8 -2.617 -4.864 9.938
56 HE21 GLN 8 1HE2 GLN 8 -2.493 -6.639 8.528
57 HE22 GLN 8 2HE2 GLN 8 -3.320 -6.656 7.006
58 H ARG 9 H ARG 9 -0.967 -1.944 7.150
59 HA ARG 9 HA ARG 9 1.141 -1.352 9.173
60 HB2 ARG 9 2HB ARG 9 1.267 -2.787 6.502
61 HB3 ARG 9 3HB ARG 9 2.684 -2.371 7.452
62 HG2 ARG 9 2HG ARG 9 1.908 -3.795 9.283
63 HG3 ARG 9 3HG ARG 9 0.438 -4.189 8.361
64 HD2 ARG 9 2HD ARG 9 3.231 -4.714 7.385
65 HD3 ARG 9 3HD ARG 9 2.234 -5.896 8.263
66 HE ARG 9 HE ARG 9 0.669 -5.002 6.152
67 HH11 ARG 9 1HH1 ARG 9 3.767 -6.612 6.542
68 HH12 ARG 9 2HH1 ARG 9 3.650 -7.476 5.025
69 HH21 ARG 9 1HH2 ARG 9 0.529 -6.129 4.185
70 HH22 ARG 9 2HH2 ARG 9 1.817 -7.203 3.691
71 H GLY 10 H GLY 10 -0.643 0.451 7.340
72 HA2 GLY 10 2HA GLY 10 -0.142 2.696 6.719
73 HA3 GLY 10 3HA GLY 10 1.564 2.296 6.642
74 HA PRO 11 HA PRO 11 -0.317 2.514 2.341
75 HB2 PRO 11 2HB PRO 11 2.133 4.277 2.058
76 HB3 PRO 11 3HB PRO 11 0.521 4.489 1.362
77 HG2 PRO 11 2HG PRO 11 1.203 5.985 3.459
78 HG3 PRO 11 3HG PRO 11 -0.413 5.277 3.403
79 HD2 PRO 11 2HD PRO 11 2.052 4.302 4.909
80 HD3 PRO 11 3HD PRO 11 0.346 4.444 5.493
81 H VAL 12 H VAL 12 0.238 0.730 1.244
82 HA VAL 12 HA VAL 12 3.145 0.176 0.848
83 HB VAL 12 HB VAL 12 2.642 -2.247 0.890
84 HG11 VAL 12 1HG1 VAL 12 2.278 -2.478 3.299
85 HG12 VAL 12 2HG1 VAL 12 3.426 -1.171 2.920
86 HG13 VAL 12 3HG1 VAL 12 1.751 -0.780 3.381
87 HG21 VAL 12 3HG2 VAL 12 0.274 -2.111 0.197
88 HG22 VAL 12 1HG2 VAL 12 0.442 -3.018 1.719
89 HG23 VAL 12 2HG2 VAL 12 -0.135 -1.335 1.746
90 H TYR 13 H TYR 13 3.695 -0.890 -1.119
91 HA TYR 13 HA TYR 13 2.010 0.044 -3.324
92 HB2 TYR 13 2HB TYR 13 4.729 -1.303 -3.188
93 HB3 TYR 13 3HB TYR 13 3.920 -0.969 -4.714
94 HD1 TYR 13 HD1 TYR 13 5.532 0.525 -1.759
95 HD2 TYR 13 HD2 TYR 13 3.722 1.270 -5.578
96 HE1 TYR 13 HE1 TYR 13 6.451 2.819 -1.748
97 HE2 TYR 13 HE2 TYR 13 4.642 3.564 -5.565
98 HH TYR 13 HH TYR 13 6.614 4.742 -2.849
99 H ILE 14 H ILE 14 1.004 -1.157 -4.886
100 HA ILE 14 HA ILE 14 1.063 -4.120 -4.503
101 HB ILE 14 HB ILE 14 -1.269 -4.213 -5.319
102 HG12 ILE 14 2HG1 ILE 14 -1.246 -1.190 -5.218
103 HG13 ILE 14 3HG1 ILE 14 -1.101 -2.127 -6.696
104 HG21 ILE 14 1HG2 ILE 14 -2.366 -3.230 -3.347
105 HG22 ILE 14 2HG2 ILE 14 -0.861 -4.063 -2.893
106 HG23 ILE 14 3HG2 ILE 14 -0.899 -2.287 -2.995
107 HD11 ILE 14 3HD1 ILE 14 -3.447 -2.195 -4.785
108 HD12 ILE 14 1HD1 ILE 14 -3.386 -1.369 -6.360
109 HD13 ILE 14 2HD1 ILE 14 -3.298 -3.145 -6.283
110 H GLY 15 H GLY 15 0.542 -5.355 -6.471
111 HA2 GLY 15 2HA GLY 15 0.620 -5.720 -8.793
112 HA3 GLY 15 3HA GLY 15 0.855 -4.001 -9.052
113 H GLU 16 H GLU 16 2.874 -3.216 -9.406
114 HA GLU 16 HA GLU 16 4.926 -4.970 -10.222
115 HB2 GLU 16 2HB GLU 16 4.743 -2.596 -10.932
116 HB3 GLU 16 3HB GLU 16 5.172 -2.074 -9.309
117 HG2 GLU 16 2HG GLU 16 7.379 -3.080 -9.527
118 HG3 GLU 16 3HG GLU 16 6.957 -3.721 -11.113
119 H LEU 17 H LEU 17 4.453 -3.289 -7.124
120 HA LEU 17 HA LEU 17 6.606 -5.026 -5.995
121 HB2 LEU 17 2HB LEU 17 5.968 -2.155 -5.226
122 HB3 LEU 17 3HB LEU 17 7.183 -3.184 -4.461
123 HG LEU 17 HG LEU 17 7.273 -2.288 -7.363
124 HD11 LEU 17 1HD1 LEU 17 9.028 -0.750 -6.604
125 HD12 LEU 17 2HD1 LEU 17 7.463 -0.392 -5.837
126 HD13 LEU 17 3HD1 LEU 17 8.731 -1.241 -4.921
127 HD21 LEU 17 3HD2 LEU 17 8.434 -4.418 -6.885
128 HD22 LEU 17 1HD2 LEU 17 9.598 -3.115 -7.223
129 HD23 LEU 17 2HD2 LEU 17 9.310 -3.640 -5.546
130 HA PRO 18 HA PRO 18 2.558 -5.939 -4.087
131 HB2 PRO 18 2HB PRO 18 4.225 -8.403 -3.425
132 HB3 PRO 18 3HB PRO 18 2.525 -8.312 -3.902
133 HG2 PRO 18 2HG PRO 18 4.307 -9.017 -5.744
134 HG3 PRO 18 3HG PRO 18 3.044 -7.865 -6.184
135 HD2 PRO 18 2HD PRO 18 5.953 -7.345 -5.475
136 HD3 PRO 18 3HD PRO 18 4.937 -6.579 -6.761
137 H GLN 19 H GLN 19 2.071 -5.261 -2.081
138 HA GLN 19 HA GLN 19 2.318 -4.607 0.116
139 HB2 GLN 19 2HB GLN 19 4.013 -7.134 0.239
140 HB3 GLN 19 3HB GLN 19 3.361 -6.279 1.629
141 HG2 GLN 19 2HG GLN 19 1.075 -6.733 0.837
142 HG3 GLN 19 3HG GLN 19 1.754 -7.632 -0.548
143 HE21 GLN 19 1HE2 GLN 19 1.697 -9.754 -0.297
144 HE22 GLN 19 2HE2 GLN 19 1.869 -10.611 1.200
145 H ASP 20 H ASP 20 3.884 -3.099 -1.432
146 HA ASP 20 HA ASP 20 5.781 -1.792 -1.484
147 HB2 ASP 20 2HB ASP 20 4.880 -1.357 0.869
148 HB3 ASP 20 3HB ASP 20 6.070 -2.511 1.456
149 H PHE 21 H PHE 21 6.329 -4.147 -2.573
150 HA PHE 21 HA PHE 21 8.365 -5.699 -1.318
151 HB2 PHE 21 2HB PHE 21 7.010 -6.442 -3.281
152 HB3 PHE 21 3HB PHE 21 7.858 -5.283 -4.291
153 HD1 PHE 21 HD1 PHE 21 8.339 -8.296 -2.176
154 HD2 PHE 21 HD2 PHE 21 9.941 -5.797 -5.250
155 HE1 PHE 21 HE1 PHE 21 10.099 -9.974 -2.622
156 HE2 PHE 21 HE2 PHE 21 11.699 -7.474 -5.700
157 HZ PHE 21 HZ PHE 21 11.780 -9.563 -4.385
158 H LEU 22 H LEU 22 10.495 -5.490 -1.122
159 HA LEU 22 HA LEU 22 11.751 -3.125 -2.449
160 HB2 LEU 22 2HB LEU 22 12.545 -4.512 0.136
161 HB3 LEU 22 3HB LEU 22 13.348 -3.109 -0.575
162 HG LEU 22 HG LEU 22 10.502 -3.160 0.491
163 HD11 LEU 22 1HD1 LEU 22 11.423 -1.763 2.287
164 HD12 LEU 22 2HD1 LEU 22 12.184 -3.372 2.249
165 HD13 LEU 22 3HD1 LEU 22 13.054 -1.959 1.603
166 HD21 LEU 22 3HD2 LEU 22 10.827 -1.587 -1.388
167 HD22 LEU 22 1HD2 LEU 22 10.624 -0.716 0.150
168 HD23 LEU 22 2HD2 LEU 22 12.245 -0.895 -0.564
Start of MODEL 11
1 H MET 1 1H MET 1 -0.814 -1.444 -11.986
2 HA MET 1 HA MET 1 0.432 -1.951 -10.037
3 HB2 MET 1 2HB MET 1 2.053 -1.336 -12.537
4 HB3 MET 1 3HB MET 1 2.626 -2.325 -11.203
5 HG2 MET 1 2HG MET 1 0.822 -3.944 -11.610
6 HG3 MET 1 3HG MET 1 0.212 -2.945 -12.930
7 HE1 MET 1 3HE MET 1 2.747 -5.589 -11.768
8 HE2 MET 1 1HE MET 1 4.076 -5.459 -12.944
9 HE3 MET 1 2HE MET 1 3.816 -4.165 -11.748
10 H ALA 2 H ALA 2 2.340 -1.527 -8.779
11 HA ALA 2 HA ALA 2 3.478 -0.131 -7.357
12 HB1 ALA 2 3HB ALA 2 3.671 1.613 -9.840
13 HB2 ALA 2 1HB ALA 2 4.651 1.800 -8.367
14 HB3 ALA 2 2HB ALA 2 4.813 0.334 -9.365
15 H THR 3 H THR 3 0.883 -0.009 -6.880
16 HA THR 3 HA THR 3 0.376 2.910 -6.474
17 HB THR 3 HB THR 3 -1.656 0.656 -6.773
18 HG1 THR 3 HG1 THR 3 -0.763 2.775 -8.436
19 HG21 THR 3 3HG2 THR 3 -2.045 3.638 -6.313
20 HG22 THR 3 1HG2 THR 3 -3.335 2.453 -6.621
21 HG23 THR 3 2HG2 THR 3 -2.373 2.355 -5.127
22 H THR 4 H THR 4 0.227 3.641 -4.475
23 HA THR 4 HA THR 4 0.732 1.822 -2.268
24 HB THR 4 HB THR 4 0.573 3.888 -0.860
25 HG1 THR 4 HG1 THR 4 -0.185 5.707 -1.695
26 HG21 THR 4 3HG2 THR 4 2.233 4.190 -3.391
27 HG22 THR 4 1HG2 THR 4 2.513 5.037 -1.852
28 HG23 THR 4 2HG2 THR 4 2.704 3.270 -1.944
29 H VAL 5 H VAL 5 -0.592 1.059 -0.731
30 HA VAL 5 HA VAL 5 -3.444 1.950 -0.833
31 HB VAL 5 HB VAL 5 -2.395 -0.871 -0.341
32 HG11 VAL 5 1HG1 VAL 5 -4.751 -1.520 -0.239
33 HG12 VAL 5 2HG1 VAL 5 -4.316 -0.385 1.060
34 HG13 VAL 5 3HG1 VAL 5 -5.227 0.191 -0.357
35 HG21 VAL 5 3HG2 VAL 5 -2.331 -0.186 -2.715
36 HG22 VAL 5 1HG2 VAL 5 -3.602 -1.399 -2.435
37 HG23 VAL 5 2HG2 VAL 5 -4.036 0.318 -2.617
38 H SER 6 H SER 6 -4.328 2.554 1.035
39 HA SER 6 HA SER 6 -2.628 2.806 3.362
40 HB2 SER 6 2HB SER 6 -4.296 4.503 2.817
41 HB3 SER 6 3HB SER 6 -5.591 3.323 2.957
42 HG SER 6 HG SER 6 -4.381 3.060 5.152
43 H THR 7 H THR 7 -2.057 0.666 3.891
44 HA THR 7 HA THR 7 -4.249 -1.056 4.904
45 HB THR 7 HB THR 7 -2.600 -2.829 5.044
46 HG1 THR 7 HG1 THR 7 -0.696 -0.791 4.418
47 HG21 THR 7 3HG2 THR 7 -2.174 -1.208 2.504
48 HG22 THR 7 1HG2 THR 7 -1.830 -2.941 2.706
49 HG23 THR 7 2HG2 THR 7 -3.506 -2.351 2.795
50 H GLN 8 H GLN 8 -3.408 -2.392 6.936
51 HA GLN 8 HA GLN 8 -3.350 -0.504 9.111
52 HB2 GLN 8 2HB GLN 8 -3.300 -2.444 10.557
53 HB3 GLN 8 3HB GLN 8 -4.410 -2.771 9.233
54 HG2 GLN 8 2HG GLN 8 -1.563 -3.663 8.984
55 HG3 GLN 8 3HG GLN 8 -2.693 -4.574 10.025
56 HE21 GLN 8 1HE2 GLN 8 -2.661 -6.413 8.725
57 HE22 GLN 8 2HE2 GLN 8 -3.422 -6.462 7.169
58 H ARG 9 H ARG 9 -0.917 -1.799 7.120
59 HA ARG 9 HA ARG 9 1.170 -1.186 9.158
60 HB2 ARG 9 2HB ARG 9 1.342 -2.660 6.509
61 HB3 ARG 9 3HB ARG 9 2.722 -2.296 7.532
62 HG2 ARG 9 2HG ARG 9 1.731 -3.662 9.339
63 HG3 ARG 9 3HG ARG 9 0.371 -4.061 8.261
64 HD2 ARG 9 2HD ARG 9 1.904 -5.079 6.690
65 HD3 ARG 9 3HD ARG 9 3.275 -4.657 7.742
66 HE ARG 9 HE ARG 9 1.392 -6.132 9.248
67 HH11 ARG 9 1HH1 ARG 9 3.658 -6.563 6.598
68 HH12 ARG 9 2HH1 ARG 9 3.935 -8.255 6.945
69 HH21 ARG 9 1HH2 ARG 9 1.759 -8.330 9.687
70 HH22 ARG 9 2HH2 ARG 9 2.861 -9.257 8.694
71 H GLY 10 H GLY 10 -0.554 0.563 7.171
72 HA2 GLY 10 2HA GLY 10 0.020 2.799 6.529
73 HA3 GLY 10 3HA GLY 10 1.713 2.347 6.468
74 HA PRO 11 HA PRO 11 0.002 2.608 2.146
75 HB2 PRO 11 2HB PRO 11 2.789 3.771 1.848
76 HB3 PRO 11 3HB PRO 11 1.277 4.296 1.097
77 HG2 PRO 11 2HG PRO 11 2.225 5.705 3.148
78 HG3 PRO 11 3HG PRO 11 0.495 5.360 3.077
79 HD2 PRO 11 2HD PRO 11 2.664 3.959 4.696
80 HD3 PRO 11 3HD PRO 11 1.010 4.475 5.217
81 H VAL 12 H VAL 12 0.123 0.655 1.209
82 HA VAL 12 HA VAL 12 2.831 -0.577 0.901
83 HB VAL 12 HB VAL 12 0.128 -1.957 1.196
84 HG11 VAL 12 1HG1 VAL 12 1.381 -4.055 1.060
85 HG12 VAL 12 2HG1 VAL 12 1.498 -3.110 -0.444
86 HG13 VAL 12 3HG1 VAL 12 2.865 -3.143 0.697
87 HG21 VAL 12 3HG2 VAL 12 1.090 -1.121 3.312
88 HG22 VAL 12 1HG2 VAL 12 1.150 -2.898 3.243
89 HG23 VAL 12 2HG2 VAL 12 2.623 -1.945 2.943
90 H TYR 13 H TYR 13 3.498 -1.028 -1.098
91 HA TYR 13 HA TYR 13 1.896 -0.093 -3.336
92 HB2 TYR 13 2HB TYR 13 4.630 -1.393 -3.107
93 HB3 TYR 13 3HB TYR 13 3.897 -1.035 -4.665
94 HD1 TYR 13 HD2 TYR 13 3.604 1.254 -5.430
95 HD2 TYR 13 HD1 TYR 13 5.396 0.379 -1.631
96 HE1 TYR 13 HE2 TYR 13 4.464 3.568 -5.303
97 HE2 TYR 13 HE1 TYR 13 6.256 2.692 -1.504
98 HH TYR 13 HH TYR 13 6.708 4.563 -2.830
99 H ILE 14 H ILE 14 0.741 -1.183 -4.792
100 HA ILE 14 HA ILE 14 0.816 -4.166 -4.628
101 HB ILE 14 HB ILE 14 -1.444 -4.130 -5.653
102 HG12 ILE 14 2HG1 ILE 14 -1.322 -1.121 -5.355
103 HG13 ILE 14 3HG1 ILE 14 -1.096 -1.972 -6.875
104 HG21 ILE 14 1HG2 ILE 14 -2.663 -3.228 -3.713
105 HG22 ILE 14 2HG2 ILE 14 -1.228 -4.146 -3.197
106 HG23 ILE 14 3HG2 ILE 14 -1.197 -2.368 -3.187
107 HD11 ILE 14 3HD1 ILE 14 -3.585 -2.059 -5.156
108 HD12 ILE 14 1HD1 ILE 14 -3.372 -1.143 -6.665
109 HD13 ILE 14 2HD1 ILE 14 -3.355 -2.922 -6.695
110 H GLY 15 H GLY 15 0.766 -5.380 -6.555
111 HA2 GLY 15 2HA GLY 15 1.250 -5.791 -8.812
112 HA3 GLY 15 3HA GLY 15 1.204 -4.067 -9.129
113 H GLU 16 H GLU 16 3.087 -3.038 -9.479
114 HA GLU 16 HA GLU 16 5.628 -4.410 -9.055
115 HB2 GLU 16 2HB GLU 16 5.285 -2.919 -10.998
116 HB3 GLU 16 3HB GLU 16 5.012 -1.556 -9.922
117 HG2 GLU 16 2HG GLU 16 7.306 -1.712 -9.097
118 HG3 GLU 16 3HG GLU 16 7.590 -3.129 -10.104
119 H LEU 17 H LEU 17 7.155 -4.055 -7.539
120 HA LEU 17 HA LEU 17 6.374 -2.227 -5.309
121 HB2 LEU 17 2HB LEU 17 8.183 -4.666 -5.200
122 HB3 LEU 17 3HB LEU 17 7.667 -3.676 -3.831
123 HG LEU 17 HG LEU 17 5.828 -5.386 -5.543
124 HD11 LEU 17 1HD1 LEU 17 5.739 -6.838 -3.565
125 HD12 LEU 17 2HD1 LEU 17 7.387 -6.725 -4.225
126 HD13 LEU 17 3HD1 LEU 17 6.951 -5.815 -2.759
127 HD21 LEU 17 3HD2 LEU 17 4.740 -3.390 -4.570
128 HD22 LEU 17 1HD2 LEU 17 4.182 -4.879 -3.770
129 HD23 LEU 17 2HD2 LEU 17 5.372 -3.828 -2.966
130 HA PRO 18 HA PRO 18 10.103 -0.420 -7.094
131 HB2 PRO 18 2HB PRO 18 9.403 2.210 -6.782
132 HB3 PRO 18 3HB PRO 18 8.767 1.224 -8.104
133 HG2 PRO 18 2HG PRO 18 7.477 1.884 -5.421
134 HG3 PRO 18 3HG PRO 18 6.763 1.990 -7.034
135 HD2 PRO 18 2HD PRO 18 6.340 -0.177 -5.433
136 HD3 PRO 18 3HD PRO 18 6.478 -0.341 -7.230
137 H GLN 19 H GLN 19 8.494 -0.023 -4.022
138 HA GLN 19 HA GLN 19 11.100 0.704 -2.772
139 HB2 GLN 19 2HB GLN 19 8.393 1.970 -2.199
140 HB3 GLN 19 3HB GLN 19 9.792 2.144 -1.149
141 HG2 GLN 19 2HG GLN 19 11.041 3.215 -2.971
142 HG3 GLN 19 3HG GLN 19 9.612 3.046 -4.031
143 HE21 GLN 19 1HE2 GLN 19 11.194 5.390 -2.781
144 HE22 GLN 19 2HE2 GLN 19 9.952 6.405 -2.126
145 H ASP 20 H ASP 20 7.730 -0.236 -1.984
146 HA ASP 20 HA ASP 20 8.652 -1.570 0.451
147 HB2 ASP 20 2HB ASP 20 6.464 -0.320 0.276
148 HB3 ASP 20 3HB ASP 20 5.880 -1.577 -0.808
149 H PHE 21 H PHE 21 10.103 -3.067 -0.659
150 HA PHE 21 HA PHE 21 8.999 -5.143 -2.346
151 HB2 PHE 21 2HB PHE 21 11.620 -4.873 -0.834
152 HB3 PHE 21 3HB PHE 21 11.229 -6.282 -1.806
153 HD1 PHE 21 HD2 PHE 21 11.002 -6.096 -4.249
154 HD2 PHE 21 HD1 PHE 21 12.197 -2.774 -1.843
155 HE1 PHE 21 HE2 PHE 21 11.837 -4.937 -6.268
156 HE2 PHE 21 HE1 PHE 21 13.031 -1.611 -3.860
157 HZ PHE 21 HZ PHE 21 12.850 -2.692 -6.072
158 H LEU 22 H LEU 22 8.451 -7.233 -1.885
159 HA LEU 22 HA LEU 22 8.012 -7.788 1.020
160 HB2 LEU 22 2HB LEU 22 6.251 -8.579 -1.328
161 HB3 LEU 22 3HB LEU 22 5.956 -8.975 0.369
162 HG LEU 22 HG LEU 22 5.976 -6.165 -0.791
163 HD11 LEU 22 1HD1 LEU 22 3.544 -6.278 -0.479
164 HD12 LEU 22 2HD1 LEU 22 4.116 -7.503 -1.635
165 HD13 LEU 22 3HD1 LEU 22 3.687 -7.978 0.025
166 HD21 LEU 22 3HD2 LEU 22 6.647 -6.290 1.586
167 HD22 LEU 22 1HD2 LEU 22 5.031 -5.564 1.412
168 HD23 LEU 22 2HD2 LEU 22 5.195 -7.254 1.945
Start of MODEL 12
1 H MET 1 1H MET 1 -1.045 -1.521 -11.877
2 HA MET 1 HA MET 1 0.356 -2.030 -10.036
3 HB2 MET 1 2HB MET 1 1.773 -1.303 -12.628
4 HB3 MET 1 3HB MET 1 2.467 -2.307 -11.364
5 HG2 MET 1 2HG MET 1 0.679 -3.968 -11.687
6 HG3 MET 1 3HG MET 1 -0.040 -2.955 -12.942
7 HE1 MET 1 3HE MET 1 2.582 -5.594 -12.024
8 HE2 MET 1 1HE MET 1 3.848 -5.406 -13.262
9 HE3 MET 1 2HE MET 1 3.641 -4.163 -12.003
10 H ALA 2 H ALA 2 2.271 -1.561 -8.852
11 HA ALA 2 HA ALA 2 3.415 -0.151 -7.448
12 HB1 ALA 2 3HB ALA 2 3.521 1.602 -9.930
13 HB2 ALA 2 1HB ALA 2 4.533 1.800 -8.481
14 HB3 ALA 2 2HB ALA 2 4.693 0.340 -9.486
15 H THR 3 H THR 3 0.830 -0.070 -6.907
16 HA THR 3 HA THR 3 0.222 2.840 -6.584
17 HB THR 3 HB THR 3 -1.710 0.485 -6.721
18 HG1 THR 3 HG1 THR 3 -0.982 2.578 -8.498
19 HG21 THR 3 3HG2 THR 3 -2.226 3.462 -6.377
20 HG22 THR 3 1HG2 THR 3 -3.467 2.207 -6.594
21 HG23 THR 3 2HG2 THR 3 -2.458 2.217 -5.128
22 H THR 4 H THR 4 0.068 3.656 -4.616
23 HA THR 4 HA THR 4 0.728 1.971 -2.343
24 HB THR 4 HB THR 4 0.495 4.090 -1.026
25 HG1 THR 4 HG1 THR 4 -0.406 5.810 -1.913
26 HG21 THR 4 3HG2 THR 4 2.075 4.358 -3.612
27 HG22 THR 4 1HG2 THR 4 2.348 5.288 -2.121
28 HG23 THR 4 2HG2 THR 4 2.630 3.531 -2.137
29 H VAL 5 H VAL 5 -0.516 1.209 -0.743
30 HA VAL 5 HA VAL 5 -3.410 1.937 -0.799
31 HB VAL 5 HB VAL 5 -2.245 -0.853 -0.402
32 HG11 VAL 5 1HG1 VAL 5 -4.575 -1.593 -0.304
33 HG12 VAL 5 2HG1 VAL 5 -4.175 -0.477 1.022
34 HG13 VAL 5 3HG1 VAL 5 -5.115 0.100 -0.374
35 HG21 VAL 5 3HG2 VAL 5 -2.222 -0.105 -2.757
36 HG22 VAL 5 1HG2 VAL 5 -3.445 -1.372 -2.502
37 HG23 VAL 5 2HG2 VAL 5 -3.943 0.332 -2.636
38 H SER 6 H SER 6 -4.142 2.651 1.076
39 HA SER 6 HA SER 6 -2.367 2.742 3.366
40 HB2 SER 6 2HB SER 6 -3.872 4.597 2.850
41 HB3 SER 6 3HB SER 6 -5.273 3.551 3.023
42 HG SER 6 HG SER 6 -4.315 3.137 5.192
43 H THR 7 H THR 7 -1.999 0.568 3.905
44 HA THR 7 HA THR 7 -4.327 -0.948 4.937
45 HB THR 7 HB THR 7 -2.802 -2.845 5.127
46 HG1 THR 7 HG1 THR 7 -0.798 -0.933 4.428
47 HG21 THR 7 3HG2 THR 7 -2.352 -1.339 2.522
48 HG22 THR 7 1HG2 THR 7 -2.123 -3.085 2.770
49 HG23 THR 7 2HG2 THR 7 -3.750 -2.374 2.894
50 H GLN 8 H GLN 8 -3.541 -2.359 6.971
51 HA GLN 8 HA GLN 8 -3.413 -0.478 9.144
52 HB2 GLN 8 2HB GLN 8 -3.431 -2.418 10.590
53 HB3 GLN 8 3HB GLN 8 -4.551 -2.704 9.266
54 HG2 GLN 8 2HG GLN 8 -1.742 -3.698 9.007
55 HG3 GLN 8 3HG GLN 8 -2.894 -4.565 10.060
56 HE21 GLN 8 1HE2 GLN 8 -2.911 -6.408 8.755
57 HE22 GLN 8 2HE2 GLN 8 -3.695 -6.435 7.210
58 H ARG 9 H ARG 9 -1.018 -1.878 7.171
59 HA ARG 9 HA ARG 9 1.083 -1.315 9.206
60 HB2 ARG 9 2HB ARG 9 1.217 -2.768 6.543
61 HB3 ARG 9 3HB ARG 9 2.607 -2.446 7.568
62 HG2 ARG 9 2HG ARG 9 1.592 -3.806 9.362
63 HG3 ARG 9 3HG ARG 9 0.215 -4.157 8.290
64 HD2 ARG 9 2HD ARG 9 1.708 -5.202 6.699
65 HD3 ARG 9 3HD ARG 9 3.097 -4.828 7.743
66 HE ARG 9 HE ARG 9 1.189 -6.264 9.252
67 HH11 ARG 9 1HH1 ARG 9 3.414 -6.734 6.575
68 HH12 ARG 9 2HH1 ARG 9 3.646 -8.436 6.902
69 HH21 ARG 9 1HH2 ARG 9 1.499 -8.475 9.667
70 HH22 ARG 9 2HH2 ARG 9 2.563 -9.424 8.652
71 H GLY 10 H GLY 10 -0.600 0.483 7.216
72 HA2 GLY 10 2HA GLY 10 0.034 2.719 6.617
73 HA3 GLY 10 3HA GLY 10 1.713 2.221 6.537
74 HA PRO 11 HA PRO 11 -0.177 2.493 2.243
75 HB2 PRO 11 2HB PRO 11 2.401 4.057 1.924
76 HB3 PRO 11 3HB PRO 11 0.809 4.377 1.222
77 HG2 PRO 11 2HG PRO 11 1.603 5.858 3.290
78 HG3 PRO 11 3HG PRO 11 -0.062 5.270 3.248
79 HD2 PRO 11 2HD PRO 11 2.326 4.147 4.775
80 HD3 PRO 11 3HD PRO 11 0.633 4.422 5.353
81 H VAL 12 H VAL 12 0.231 0.649 1.178
82 HA VAL 12 HA VAL 12 3.086 -0.150 0.808
83 HB VAL 12 HB VAL 12 2.357 -2.510 0.790
84 HG11 VAL 12 1HG1 VAL 12 1.882 -2.747 3.179
85 HG12 VAL 12 2HG1 VAL 12 3.160 -1.549 2.869
86 HG13 VAL 12 3HG1 VAL 12 1.513 -1.010 3.277
87 HG21 VAL 12 3HG2 VAL 12 0.039 -2.139 0.016
88 HG22 VAL 12 1HG2 VAL 12 0.064 -3.085 1.523
89 HG23 VAL 12 2HG2 VAL 12 -0.355 -1.356 1.564
90 H TYR 13 H TYR 13 3.566 -1.273 -1.163
91 HA TYR 13 HA TYR 13 1.956 -0.137 -3.369
92 HB2 TYR 13 2HB TYR 13 4.733 -1.360 -3.225
93 HB3 TYR 13 3HB TYR 13 3.955 -0.969 -4.753
94 HD1 TYR 13 HD1 TYR 13 5.268 0.450 -1.596
95 HD2 TYR 13 HD2 TYR 13 3.808 1.268 -5.547
96 HE1 TYR 13 HE1 TYR 13 6.074 2.780 -1.412
97 HE2 TYR 13 HE2 TYR 13 4.615 3.597 -5.363
98 HH TYR 13 HH TYR 13 5.626 5.098 -4.087
99 H ILE 14 H ILE 14 0.745 -1.249 -4.740
100 HA ILE 14 HA ILE 14 0.903 -4.226 -4.608
101 HB ILE 14 HB ILE 14 -1.385 -4.222 -5.578
102 HG12 ILE 14 2HG1 ILE 14 -1.300 -1.214 -5.268
103 HG13 ILE 14 3HG1 ILE 14 -1.099 -2.053 -6.798
104 HG21 ILE 14 1HG2 ILE 14 -2.564 -3.347 -3.601
105 HG22 ILE 14 2HG2 ILE 14 -1.104 -4.246 -3.129
106 HG23 ILE 14 3HG2 ILE 14 -1.097 -2.467 -3.111
107 HD11 ILE 14 3HD1 ILE 14 -3.542 -2.187 -5.016
108 HD12 ILE 14 1HD1 ILE 14 -3.380 -1.259 -6.526
109 HD13 ILE 14 2HD1 ILE 14 -3.338 -3.039 -6.566
110 H GLY 15 H GLY 15 0.716 -5.434 -6.565
111 HA2 GLY 15 2HA GLY 15 1.280 -5.879 -8.784
112 HA3 GLY 15 3HA GLY 15 1.120 -4.170 -9.143
113 H GLU 16 H GLU 16 2.934 -3.193 -9.770
114 HA GLU 16 HA GLU 16 5.551 -4.338 -9.404
115 HB2 GLU 16 2HB GLU 16 5.011 -2.842 -11.293
116 HB3 GLU 16 3HB GLU 16 4.715 -1.513 -10.181
117 HG2 GLU 16 2HG GLU 16 7.055 -1.521 -9.495
118 HG3 GLU 16 3HG GLU 16 7.374 -2.916 -10.525
119 H LEU 17 H LEU 17 7.161 -3.905 -7.992
120 HA LEU 17 HA LEU 17 6.406 -2.190 -5.664
121 HB2 LEU 17 2HB LEU 17 8.298 -4.567 -5.718
122 HB3 LEU 17 3HB LEU 17 7.838 -3.627 -4.296
123 HG LEU 17 HG LEU 17 5.947 -5.347 -5.939
124 HD11 LEU 17 1HD1 LEU 17 6.019 -6.850 -4.001
125 HD12 LEU 17 2HD1 LEU 17 7.620 -6.673 -4.755
126 HD13 LEU 17 3HD1 LEU 17 7.249 -5.813 -3.242
127 HD21 LEU 17 3HD2 LEU 17 4.866 -3.409 -4.850
128 HD22 LEU 17 1HD2 LEU 17 4.399 -4.933 -4.058
129 HD23 LEU 17 2HD2 LEU 17 5.607 -3.868 -3.297
130 HA PRO 18 HA PRO 18 10.013 -0.209 -7.543
131 HB2 PRO 18 2HB PRO 18 9.199 2.384 -7.244
132 HB3 PRO 18 3HB PRO 18 8.588 1.361 -8.551
133 HG2 PRO 18 2HG PRO 18 7.307 1.986 -5.855
134 HG3 PRO 18 3HG PRO 18 6.567 2.053 -7.458
135 HD2 PRO 18 2HD PRO 18 6.265 -0.122 -5.832
136 HD3 PRO 18 3HD PRO 18 6.367 -0.286 -7.631
137 H GLN 19 H GLN 19 8.425 0.038 -4.462
138 HA GLN 19 HA GLN 19 10.968 0.993 -3.233
139 HB2 GLN 19 2HB GLN 19 8.155 1.929 -2.537
140 HB3 GLN 19 3HB GLN 19 9.585 2.282 -1.578
141 HG2 GLN 19 2HG GLN 19 9.196 3.108 -4.462
142 HG3 GLN 19 3HG GLN 19 8.917 4.145 -3.034
143 HE21 GLN 19 1HE2 GLN 19 10.948 3.886 -5.454
144 HE22 GLN 19 2HE2 GLN 19 12.464 4.231 -4.690
145 H ASP 20 H ASP 20 7.734 -0.328 -2.428
146 HA ASP 20 HA ASP 20 8.832 -1.630 -0.049
147 HB2 ASP 20 2HB ASP 20 6.523 -0.626 -0.136
148 HB3 ASP 20 3HB ASP 20 6.058 -1.880 -1.279
149 H PHE 21 H PHE 21 10.423 -2.902 -1.274
150 HA PHE 21 HA PHE 21 9.507 -5.007 -3.035
151 HB2 PHE 21 2HB PHE 21 12.136 -4.496 -1.602
152 HB3 PHE 21 3HB PHE 21 11.877 -5.894 -2.634
153 HD1 PHE 21 HD2 PHE 21 11.546 -5.625 -5.053
154 HD2 PHE 21 HD1 PHE 21 12.399 -2.291 -2.521
155 HE1 PHE 21 HE2 PHE 21 12.152 -4.278 -7.035
156 HE2 PHE 21 HE1 PHE 21 13.004 -0.940 -4.501
157 HZ PHE 21 HZ PHE 21 12.879 -1.934 -6.759
158 H LEU 22 H LEU 22 9.245 -7.173 -2.675
159 HA LEU 22 HA LEU 22 9.709 -8.359 -0.066
160 HB2 LEU 22 2HB LEU 22 7.660 -7.093 0.430
161 HB3 LEU 22 3HB LEU 22 6.848 -7.835 -0.952
162 HG LEU 22 HG LEU 22 7.111 -10.070 0.183
163 HD11 LEU 22 1HD1 LEU 22 7.645 -10.067 2.579
164 HD12 LEU 22 2HD1 LEU 22 9.016 -9.496 1.600
165 HD13 LEU 22 3HD1 LEU 22 8.015 -8.329 2.496
166 HD21 LEU 22 3HD2 LEU 22 5.021 -8.753 0.283
167 HD22 LEU 22 1HD2 LEU 22 5.298 -9.632 1.805
168 HD23 LEU 22 2HD2 LEU 22 5.633 -7.887 1.711
Start of MODEL 13
1 H MET 1 1H MET 1 -0.724 -1.634 -12.274
2 HA MET 1 HA MET 1 0.468 -2.158 -10.296
3 HB2 MET 1 2HB MET 1 2.145 -1.456 -12.734
4 HB3 MET 1 3HB MET 1 2.713 -2.445 -11.398
5 HG2 MET 1 2HG MET 1 1.008 -4.130 -11.877
6 HG3 MET 1 3HG MET 1 0.343 -3.122 -13.164
7 HE1 MET 1 3HE MET 1 3.144 -5.550 -12.040
8 HE2 MET 1 1HE MET 1 4.406 -5.317 -13.275
9 HE3 MET 1 2HE MET 1 4.066 -4.028 -12.093
10 H ALA 2 H ALA 2 2.273 -1.716 -8.932
11 HA ALA 2 HA ALA 2 3.393 -0.333 -7.483
12 HB1 ALA 2 3HB ALA 2 3.664 1.415 -9.956
13 HB2 ALA 2 1HB ALA 2 4.605 1.591 -8.456
14 HB3 ALA 2 2HB ALA 2 4.783 0.127 -9.453
15 H THR 3 H THR 3 0.818 -0.193 -7.020
16 HA THR 3 HA THR 3 0.199 2.724 -6.823
17 HB THR 3 HB THR 3 -1.702 0.340 -6.819
18 HG1 THR 3 HG1 THR 3 -1.234 2.447 -8.694
19 HG21 THR 3 3HG2 THR 3 -2.258 3.326 -6.642
20 HG22 THR 3 1HG2 THR 3 -3.482 2.043 -6.784
21 HG23 THR 3 2HG2 THR 3 -2.470 2.150 -5.323
22 H THR 4 H THR 4 -0.048 3.653 -4.904
23 HA THR 4 HA THR 4 0.703 2.136 -2.540
24 HB THR 4 HB THR 4 0.371 4.312 -1.347
25 HG1 THR 4 HG1 THR 4 -0.614 5.933 -2.324
26 HG21 THR 4 3HG2 THR 4 1.924 4.512 -3.955
27 HG22 THR 4 1HG2 THR 4 2.157 5.538 -2.521
28 HG23 THR 4 2HG2 THR 4 2.527 3.799 -2.441
29 H VAL 5 H VAL 5 -0.501 1.376 -0.917
30 HA VAL 5 HA VAL 5 -3.419 1.987 -0.957
31 HB VAL 5 HB VAL 5 -2.179 -0.780 -0.637
32 HG11 VAL 5 1HG1 VAL 5 -4.487 -1.581 -0.529
33 HG12 VAL 5 2HG1 VAL 5 -4.099 -0.485 0.818
34 HG13 VAL 5 3HG1 VAL 5 -5.071 0.099 -0.554
35 HG21 VAL 5 3HG2 VAL 5 -2.204 0.021 -2.974
36 HG22 VAL 5 1HG2 VAL 5 -3.392 -1.282 -2.735
37 HG23 VAL 5 2HG2 VAL 5 -3.934 0.411 -2.824
38 H SER 6 H SER 6 -4.167 2.606 0.947
39 HA SER 6 HA SER 6 -2.414 2.617 3.262
40 HB2 SER 6 2HB SER 6 -3.918 4.480 2.869
41 HB3 SER 6 3HB SER 6 -5.316 3.416 2.880
42 HG SER 6 HG SER 6 -4.205 2.859 5.069
43 H THR 7 H THR 7 -2.035 0.861 4.410
44 HA THR 7 HA THR 7 -4.369 -0.889 5.066
45 HB THR 7 HB THR 7 -2.892 -2.805 5.152
46 HG1 THR 7 HG1 THR 7 -0.817 -0.906 4.654
47 HG21 THR 7 3HG2 THR 7 -2.296 -1.154 2.667
48 HG22 THR 7 1HG2 THR 7 -2.114 -2.917 2.816
49 HG23 THR 7 2HG2 THR 7 -3.730 -2.176 2.914
50 H GLN 8 H GLN 8 -3.567 -2.378 7.048
51 HA GLN 8 HA GLN 8 -3.449 -0.555 9.279
52 HB2 GLN 8 2HB GLN 8 -3.541 -2.522 10.667
53 HB3 GLN 8 3HB GLN 8 -4.615 -2.786 9.301
54 HG2 GLN 8 2HG GLN 8 -1.796 -3.778 9.132
55 HG3 GLN 8 3HG GLN 8 -2.993 -4.663 10.120
56 HE21 GLN 8 1HE2 GLN 8 -2.944 -6.478 8.771
57 HE22 GLN 8 2HE2 GLN 8 -3.668 -6.475 7.197
58 H ARG 9 H ARG 9 -1.060 -1.900 7.274
59 HA ARG 9 HA ARG 9 1.029 -1.475 9.358
60 HB2 ARG 9 2HB ARG 9 1.131 -2.884 6.672
61 HB3 ARG 9 3HB ARG 9 2.539 -2.598 7.684
62 HG2 ARG 9 2HG ARG 9 1.549 -3.969 9.468
63 HG3 ARG 9 3HG ARG 9 0.121 -4.256 8.445
64 HD2 ARG 9 2HD ARG 9 2.939 -4.967 7.674
65 HD3 ARG 9 3HD ARG 9 1.781 -6.085 8.428
66 HE ARG 9 HE ARG 9 0.470 -5.040 6.223
67 HH11 ARG 9 1HH1 ARG 9 3.431 -6.840 6.804
68 HH12 ARG 9 2HH1 ARG 9 3.392 -7.647 5.251
69 HH21 ARG 9 1HH2 ARG 9 0.431 -6.093 4.212
70 HH22 ARG 9 2HH2 ARG 9 1.695 -7.225 3.784
71 H GLY 10 H GLY 10 -0.564 0.460 7.463
72 HA2 GLY 10 2HA GLY 10 0.197 2.682 6.927
73 HA3 GLY 10 3HA GLY 10 1.830 2.071 6.733
74 HA PRO 11 HA PRO 11 -0.190 2.428 2.568
75 HB2 PRO 11 2HB PRO 11 1.618 4.163 1.439
76 HB3 PRO 11 3HB PRO 11 0.231 4.724 2.381
77 HG2 PRO 11 2HG PRO 11 3.116 4.323 3.279
78 HG3 PRO 11 3HG PRO 11 2.067 5.717 3.556
79 HD2 PRO 11 2HD PRO 11 2.395 3.794 5.459
80 HD3 PRO 11 3HD PRO 11 0.809 4.634 5.230
81 H VAL 12 H VAL 12 0.311 0.797 1.231
82 HA VAL 12 HA VAL 12 3.191 0.112 0.837
83 HB VAL 12 HB VAL 12 2.589 -2.276 0.784
84 HG11 VAL 12 1HG1 VAL 12 2.121 -2.592 3.165
85 HG12 VAL 12 2HG1 VAL 12 3.331 -1.318 2.888
86 HG13 VAL 12 3HG1 VAL 12 1.655 -0.881 3.301
87 HG21 VAL 12 3HG2 VAL 12 0.257 -2.019 0.010
88 HG22 VAL 12 1HG2 VAL 12 0.331 -2.995 1.496
89 HG23 VAL 12 2HG2 VAL 12 -0.185 -1.294 1.573
90 H TYR 13 H TYR 13 3.646 -1.040 -1.158
91 HA TYR 13 HA TYR 13 1.956 0.019 -3.341
92 HB2 TYR 13 2HB TYR 13 4.727 -1.229 -3.272
93 HB3 TYR 13 3HB TYR 13 3.892 -0.850 -4.773
94 HD1 TYR 13 HD1 TYR 13 5.492 0.551 -1.768
95 HD2 TYR 13 HD2 TYR 13 3.605 1.424 -5.522
96 HE1 TYR 13 HE1 TYR 13 6.336 2.870 -1.654
97 HE2 TYR 13 HE2 TYR 13 4.450 3.744 -5.406
98 HH TYR 13 HH TYR 13 6.421 4.850 -2.659
99 H ILE 14 H ILE 14 1.016 -1.186 -4.944
100 HA ILE 14 HA ILE 14 1.170 -4.151 -4.614
101 HB ILE 14 HB ILE 14 -1.176 -4.304 -5.395
102 HG12 ILE 14 2HG1 ILE 14 -1.250 -1.286 -5.199
103 HG13 ILE 14 3HG1 ILE 14 -1.109 -2.173 -6.709
104 HG21 ILE 14 1HG2 ILE 14 -2.262 -3.421 -3.370
105 HG22 ILE 14 2HG2 ILE 14 -0.721 -4.215 -2.973
106 HG23 ILE 14 3HG2 ILE 14 -0.820 -2.439 -3.019
107 HD11 ILE 14 3HD1 ILE 14 -3.406 -2.375 -4.748
108 HD12 ILE 14 1HD1 ILE 14 -3.409 -1.501 -6.297
109 HD13 ILE 14 2HD1 ILE 14 -3.263 -3.276 -6.277
110 H GLY 15 H GLY 15 0.850 -5.395 -6.549
111 HA2 GLY 15 2HA GLY 15 0.701 -5.652 -8.913
112 HA3 GLY 15 3HA GLY 15 0.983 -3.935 -9.120
113 H GLU 16 H GLU 16 3.094 -3.116 -9.149
114 HA GLU 16 HA GLU 16 5.100 -4.888 -10.159
115 HB2 GLU 16 2HB GLU 16 4.982 -2.469 -10.717
116 HB3 GLU 16 3HB GLU 16 5.392 -2.064 -9.057
117 HG2 GLU 16 2HG GLU 16 7.578 -3.110 -9.302
118 HG3 GLU 16 3HG GLU 16 7.171 -3.631 -10.936
119 H LEU 17 H LEU 17 4.717 -3.270 -6.999
120 HA LEU 17 HA LEU 17 6.634 -5.278 -5.896
121 HB2 LEU 17 2HB LEU 17 6.336 -2.370 -5.062
122 HB3 LEU 17 3HB LEU 17 7.394 -3.557 -4.295
123 HG LEU 17 HG LEU 17 7.665 -2.621 -7.173
124 HD11 LEU 17 1HD1 LEU 17 9.577 -1.325 -6.341
125 HD12 LEU 17 2HD1 LEU 17 8.050 -0.793 -5.599
126 HD13 LEU 17 3HD1 LEU 17 9.181 -1.810 -4.676
127 HD21 LEU 17 3HD2 LEU 17 8.544 -4.886 -6.719
128 HD22 LEU 17 1HD2 LEU 17 9.867 -3.729 -7.000
129 HD23 LEU 17 2HD2 LEU 17 9.476 -4.249 -5.343
130 HA PRO 18 HA PRO 18 2.459 -5.741 -4.076
131 HB2 PRO 18 2HB PRO 18 3.823 -8.401 -3.471
132 HB3 PRO 18 3HB PRO 18 2.145 -8.099 -3.941
133 HG2 PRO 18 2HG PRO 18 3.832 -8.959 -5.807
134 HG3 PRO 18 3HG PRO 18 2.712 -7.655 -6.213
135 HD2 PRO 18 2HD PRO 18 5.664 -7.500 -5.510
136 HD3 PRO 18 3HD PRO 18 4.736 -6.576 -6.757
137 H GLN 19 H GLN 19 1.963 -5.190 -2.023
138 HA GLN 19 HA GLN 19 2.274 -4.564 0.174
139 HB2 GLN 19 2HB GLN 19 3.881 -7.150 0.250
140 HB3 GLN 19 3HB GLN 19 3.284 -6.282 1.657
141 HG2 GLN 19 2HG GLN 19 0.969 -6.649 0.898
142 HG3 GLN 19 3HG GLN 19 1.596 -7.568 -0.499
143 HE21 GLN 19 1HE2 GLN 19 1.386 -9.681 -0.238
144 HE22 GLN 19 2HE2 GLN 19 1.582 -10.549 1.249
145 H ASP 20 H ASP 20 3.901 -3.154 -1.457
146 HA ASP 20 HA ASP 20 5.862 -1.944 -1.550
147 HB2 ASP 20 2HB ASP 20 4.904 -1.347 0.752
148 HB3 ASP 20 3HB ASP 20 6.056 -2.487 1.433
149 H PHE 21 H PHE 21 6.356 -4.373 -2.483
150 HA PHE 21 HA PHE 21 8.254 -5.947 -1.054
151 HB2 PHE 21 2HB PHE 21 6.956 -6.741 -3.030
152 HB3 PHE 21 3HB PHE 21 7.889 -5.672 -4.065
153 HD1 PHE 21 HD1 PHE 21 8.189 -8.565 -1.751
154 HD2 PHE 21 HD2 PHE 21 9.957 -6.340 -4.941
155 HE1 PHE 21 HE1 PHE 21 9.891 -10.335 -2.040
156 HE2 PHE 21 HE2 PHE 21 11.660 -8.109 -5.234
157 HZ PHE 21 HZ PHE 21 11.627 -10.106 -3.782
158 H LEU 22 H LEU 22 10.382 -5.838 -0.771
159 HA LEU 22 HA LEU 22 11.818 -3.616 -2.159
160 HB2 LEU 22 2HB LEU 22 12.429 -4.908 0.523
161 HB3 LEU 22 3HB LEU 22 13.337 -3.588 -0.220
162 HG LEU 22 HG LEU 22 10.451 -3.435 0.722
163 HD11 LEU 22 1HD1 LEU 22 11.374 -1.997 2.484
164 HD12 LEU 22 2HD1 LEU 22 12.048 -3.642 2.559
165 HD13 LEU 22 3HD1 LEU 22 13.018 -2.313 1.882
166 HD21 LEU 22 3HD2 LEU 22 10.937 -1.981 -1.217
167 HD22 LEU 22 1HD2 LEU 22 10.721 -1.021 0.266
168 HD23 LEU 22 2HD2 LEU 22 12.356 -1.322 -0.368
Start of MODEL 14
1 H MET 1 1H MET 1 -1.319 -1.772 -11.862
2 HA MET 1 HA MET 1 -0.024 -2.236 -9.935
3 HB2 MET 1 2HB MET 1 1.521 -1.828 -12.524
4 HB3 MET 1 3HB MET 1 2.108 -2.766 -11.158
5 HG2 MET 1 2HG MET 1 0.250 -4.340 -11.404
6 HG3 MET 1 3HG MET 1 -0.413 -3.379 -12.728
7 HE1 MET 1 3HE MET 1 2.244 -5.946 -11.574
8 HE2 MET 1 1HE MET 1 3.451 -5.904 -12.882
9 HE3 MET 1 2HE MET 1 3.283 -4.514 -11.781
10 H ALA 2 H ALA 2 1.982 -1.848 -8.801
11 HA ALA 2 HA ALA 2 3.299 -0.453 -7.542
12 HB1 ALA 2 3HB ALA 2 3.375 1.172 -10.111
13 HB2 ALA 2 1HB ALA 2 4.475 1.373 -8.727
14 HB3 ALA 2 2HB ALA 2 4.490 -0.140 -9.665
15 H THR 3 H THR 3 0.793 -0.182 -6.824
16 HA THR 3 HA THR 3 0.393 2.773 -6.601
17 HB THR 3 HB THR 3 -1.730 0.585 -6.650
18 HG1 THR 3 HG1 THR 3 -0.864 2.569 -8.488
19 HG21 THR 3 3HG2 THR 3 -1.987 3.603 -6.363
20 HG22 THR 3 1HG2 THR 3 -3.334 2.451 -6.527
21 HG23 THR 3 2HG2 THR 3 -2.296 2.409 -5.082
22 H THR 4 H THR 4 0.253 3.645 -4.643
23 HA THR 4 HA THR 4 0.833 1.952 -2.342
24 HB THR 4 HB THR 4 0.770 4.108 -1.066
25 HG1 THR 4 HG1 THR 4 0.003 5.876 -1.985
26 HG21 THR 4 3HG2 THR 4 2.356 4.200 -3.660
27 HG22 THR 4 1HG2 THR 4 2.706 5.135 -2.188
28 HG23 THR 4 2HG2 THR 4 2.850 3.362 -2.169
29 H VAL 5 H VAL 5 -0.480 1.210 -0.816
30 HA VAL 5 HA VAL 5 -3.276 2.250 -0.762
31 HB VAL 5 HB VAL 5 -2.435 -0.677 -0.598
32 HG11 VAL 5 1HG1 VAL 5 -4.831 -1.153 -0.482
33 HG12 VAL 5 2HG1 VAL 5 -4.274 -0.192 0.909
34 HG13 VAL 5 3HG1 VAL 5 -5.174 0.592 -0.413
35 HG21 VAL 5 3HG2 VAL 5 -2.379 0.239 -2.892
36 HG22 VAL 5 1HG2 VAL 5 -3.734 -0.896 -2.692
37 HG23 VAL 5 2HG2 VAL 5 -4.035 0.858 -2.687
38 H SER 6 H SER 6 -3.919 2.868 1.181
39 HA SER 6 HA SER 6 -2.131 2.634 3.438
40 HB2 SER 6 2HB SER 6 -3.537 4.604 3.125
41 HB3 SER 6 3HB SER 6 -4.992 3.623 3.221
42 HG SER 6 HG SER 6 -3.735 2.983 5.324
43 H THR 7 H THR 7 -1.882 0.383 3.729
44 HA THR 7 HA THR 7 -4.244 -1.152 4.589
45 HB THR 7 HB THR 7 -2.717 -3.052 4.768
46 HG1 THR 7 HG1 THR 7 -0.673 -1.117 4.269
47 HG21 THR 7 3HG2 THR 7 -2.112 -1.382 2.298
48 HG22 THR 7 1HG2 THR 7 -1.884 -3.139 2.451
49 HG23 THR 7 2HG2 THR 7 -3.522 -2.447 2.512
50 H GLN 8 H GLN 8 -3.310 -2.762 6.551
51 HA GLN 8 HA GLN 8 -3.562 -1.099 8.882
52 HB2 GLN 8 2HB GLN 8 -2.789 -4.023 8.549
53 HB3 GLN 8 3HB GLN 8 -3.026 -3.254 10.111
54 HG2 GLN 8 2HG GLN 8 -5.352 -2.766 9.549
55 HG3 GLN 8 3HG GLN 8 -5.118 -3.504 7.940
56 HE21 GLN 8 1HE2 GLN 8 -7.051 -4.286 9.933
57 HE22 GLN 8 2HE2 GLN 8 -6.686 -5.919 10.383
58 H ARG 9 H ARG 9 -0.877 -2.039 6.960
59 HA ARG 9 HA ARG 9 1.000 -1.262 9.143
60 HB2 ARG 9 2HB ARG 9 1.475 -2.717 6.521
61 HB3 ARG 9 3HB ARG 9 2.756 -2.206 7.609
62 HG2 ARG 9 2HG ARG 9 1.639 -3.622 9.400
63 HG3 ARG 9 3HG ARG 9 0.623 -4.285 8.097
64 HD2 ARG 9 2HD ARG 9 3.630 -4.281 8.072
65 HD3 ARG 9 3HD ARG 9 2.624 -5.634 8.642
66 HE ARG 9 HE ARG 9 1.666 -5.069 6.123
67 HH11 ARG 9 1HH1 ARG 9 4.802 -5.891 7.475
68 HH12 ARG 9 2HH1 ARG 9 5.356 -6.698 6.025
69 HH21 ARG 9 1HH2 ARG 9 2.396 -6.118 4.246
70 HH22 ARG 9 2HH2 ARG 9 3.994 -6.825 4.196
71 H GLY 10 H GLY 10 -0.740 0.383 7.138
72 HA2 GLY 10 2HA GLY 10 -0.322 2.680 6.626
73 HA3 GLY 10 3HA GLY 10 1.404 2.369 6.630
74 HA PRO 11 HA PRO 11 -0.299 2.619 2.251
75 HB2 PRO 11 2HB PRO 11 2.103 4.470 2.127
76 HB3 PRO 11 3HB PRO 11 0.525 4.639 1.348
77 HG2 PRO 11 2HG PRO 11 1.034 6.112 3.508
78 HG3 PRO 11 3HG PRO 11 -0.548 5.343 3.352
79 HD2 PRO 11 2HD PRO 11 1.870 4.439 4.973
80 HD3 PRO 11 3HD PRO 11 0.128 4.487 5.460
81 H VAL 12 H VAL 12 0.338 0.782 1.282
82 HA VAL 12 HA VAL 12 3.264 0.421 0.815
83 HB VAL 12 HB VAL 12 2.948 -2.029 0.974
84 HG11 VAL 12 1HG1 VAL 12 2.688 -2.182 3.401
85 HG12 VAL 12 2HG1 VAL 12 3.719 -0.812 2.927
86 HG13 VAL 12 3HG1 VAL 12 2.037 -0.526 3.435
87 HG21 VAL 12 3HG2 VAL 12 0.554 -2.100 0.368
88 HG22 VAL 12 1HG2 VAL 12 0.842 -2.925 1.918
89 HG23 VAL 12 2HG2 VAL 12 0.141 -1.290 1.899
90 H TYR 13 H TYR 13 3.822 -0.700 -1.124
91 HA TYR 13 HA TYR 13 2.068 0.098 -3.312
92 HB2 TYR 13 2HB TYR 13 4.789 -1.248 -3.191
93 HB3 TYR 13 3HB TYR 13 3.942 -0.976 -4.707
94 HD1 TYR 13 HD1 TYR 13 5.707 0.600 -1.907
95 HD2 TYR 13 HD2 TYR 13 3.641 1.261 -5.609
96 HE1 TYR 13 HE1 TYR 13 6.627 2.893 -2.012
97 HE2 TYR 13 HE2 TYR 13 4.561 3.553 -5.714
98 HH TYR 13 HH TYR 13 6.715 4.789 -3.165
99 H ILE 14 H ILE 14 0.980 -1.147 -4.765
100 HA ILE 14 HA ILE 14 1.101 -4.101 -4.334
101 HB ILE 14 HB ILE 14 -1.272 -4.247 -5.008
102 HG12 ILE 14 2HG1 ILE 14 -1.304 -1.222 -4.956
103 HG13 ILE 14 3HG1 ILE 14 -1.216 -2.179 -6.427
104 HG21 ILE 14 1HG2 ILE 14 -2.269 -3.247 -2.991
105 HG22 ILE 14 2HG2 ILE 14 -0.725 -4.045 -2.613
106 HG23 ILE 14 3HG2 ILE 14 -0.801 -2.272 -2.744
107 HD11 ILE 14 3HD1 ILE 14 -3.457 -2.268 -4.394
108 HD12 ILE 14 1HD1 ILE 14 -3.497 -1.465 -5.980
109 HD13 ILE 14 2HD1 ILE 14 -3.365 -3.238 -5.884
110 H GLY 15 H GLY 15 0.691 -5.409 -6.209
111 HA2 GLY 15 2HA GLY 15 0.440 -5.750 -8.552
112 HA3 GLY 15 3HA GLY 15 0.734 -4.045 -8.836
113 H GLU 16 H GLU 16 2.864 -3.252 -8.940
114 HA GLU 16 HA GLU 16 4.775 -5.144 -9.981
115 HB2 GLU 16 2HB GLU 16 4.643 -2.811 -10.789
116 HB3 GLU 16 3HB GLU 16 5.107 -2.219 -9.200
117 HG2 GLU 16 2HG GLU 16 7.002 -2.136 -10.662
118 HG3 GLU 16 3HG GLU 16 7.287 -3.355 -9.422
119 H LEU 17 H LEU 17 4.480 -3.352 -6.926
120 HA LEU 17 HA LEU 17 6.561 -5.179 -5.808
121 HB2 LEU 17 2HB LEU 17 6.131 -2.253 -5.110
122 HB3 LEU 17 3HB LEU 17 7.289 -3.338 -4.334
123 HG LEU 17 HG LEU 17 7.381 -2.541 -7.265
124 HD11 LEU 17 1HD1 LEU 17 9.245 -1.094 -6.588
125 HD12 LEU 17 2HD1 LEU 17 7.721 -0.611 -5.808
126 HD13 LEU 17 3HD1 LEU 17 8.949 -1.510 -4.884
127 HD21 LEU 17 3HD2 LEU 17 8.413 -4.725 -6.734
128 HD22 LEU 17 1HD2 LEU 17 9.652 -3.510 -7.135
129 HD23 LEU 17 2HD2 LEU 17 9.362 -3.960 -5.437
130 HA PRO 18 HA PRO 18 2.471 -5.733 -3.797
131 HB2 PRO 18 2HB PRO 18 3.964 -8.320 -3.172
132 HB3 PRO 18 3HB PRO 18 2.253 -8.096 -3.562
133 HG2 PRO 18 2HG PRO 18 3.872 -8.961 -5.484
134 HG3 PRO 18 3HG PRO 18 2.686 -7.711 -5.874
135 HD2 PRO 18 2HD PRO 18 5.662 -7.429 -5.335
136 HD3 PRO 18 3HD PRO 18 4.637 -6.580 -6.561
137 H GLN 19 H GLN 19 2.076 -5.075 -1.760
138 HA GLN 19 HA GLN 19 2.470 -4.366 0.399
139 HB2 GLN 19 2HB GLN 19 4.045 -6.970 0.465
140 HB3 GLN 19 3HB GLN 19 3.608 -6.034 1.887
141 HG2 GLN 19 2HG GLN 19 1.587 -7.158 -0.060
142 HG3 GLN 19 3HG GLN 19 2.140 -7.993 1.420
143 HE21 GLN 19 1HE2 GLN 19 -0.264 -6.105 0.145
144 HE22 GLN 19 2HE2 GLN 19 -0.874 -5.388 1.600
145 H ASP 20 H ASP 20 4.004 -2.980 -1.309
146 HA ASP 20 HA ASP 20 5.940 -1.741 -1.502
147 HB2 ASP 20 2HB ASP 20 5.095 -1.129 0.832
148 HB3 ASP 20 3HB ASP 20 6.272 -2.265 1.474
149 H PHE 21 H PHE 21 6.413 -4.179 -2.436
150 HA PHE 21 HA PHE 21 8.422 -5.701 -1.109
151 HB2 PHE 21 2HB PHE 21 7.028 -6.536 -3.002
152 HB3 PHE 21 3HB PHE 21 7.883 -5.460 -4.096
153 HD1 PHE 21 HD1 PHE 21 8.356 -8.332 -1.787
154 HD2 PHE 21 HD2 PHE 21 9.918 -6.093 -5.072
155 HE1 PHE 21 HE1 PHE 21 10.072 -10.073 -2.155
156 HE2 PHE 21 HE2 PHE 21 11.634 -7.832 -5.445
157 HZ PHE 21 HZ PHE 21 11.711 -9.823 -3.985
158 H LEU 22 H LEU 22 10.563 -5.557 -0.962
159 HA LEU 22 HA LEU 22 11.868 -3.310 -2.437
160 HB2 LEU 22 2HB LEU 22 12.662 -4.576 0.210
161 HB3 LEU 22 3HB LEU 22 13.496 -3.241 -0.591
162 HG LEU 22 HG LEU 22 10.669 -3.142 0.518
163 HD11 LEU 22 1HD1 LEU 22 11.661 -1.677 2.219
164 HD12 LEU 22 2HD1 LEU 22 12.371 -3.309 2.260
165 HD13 LEU 22 3HD1 LEU 22 13.274 -1.964 1.524
166 HD21 LEU 22 3HD2 LEU 22 11.011 -1.687 -1.451
167 HD22 LEU 22 1HD2 LEU 22 10.860 -0.725 0.040
168 HD23 LEU 22 2HD2 LEU 22 12.462 -0.996 -0.688
Start of MODEL 15
1 H MET 1 1H MET 1 -1.555 -2.385 -11.381
2 HA MET 1 HA MET 1 0.022 -2.609 -9.629
3 HB2 MET 1 2HB MET 1 1.170 -2.140 -12.407
4 HB3 MET 1 3HB MET 1 2.026 -2.950 -11.105
5 HG2 MET 1 2HG MET 1 0.311 -4.716 -11.063
6 HG3 MET 1 3HG MET 1 -0.568 -3.897 -12.358
7 HE1 MET 1 3HE MET 1 2.279 -6.271 -11.377
8 HE2 MET 1 1HE MET 1 3.416 -6.179 -12.744
9 HE3 MET 1 2HE MET 1 3.246 -4.798 -11.633
10 H ALA 2 H ALA 2 1.999 -1.919 -8.681
11 HA ALA 2 HA ALA 2 3.182 -0.302 -7.563
12 HB1 ALA 2 3HB ALA 2 2.995 1.132 -10.237
13 HB2 ALA 2 1HB ALA 2 4.112 1.549 -8.916
14 HB3 ALA 2 2HB ALA 2 4.261 -0.017 -9.748
15 H THR 3 H THR 3 0.644 -0.256 -6.816
16 HA THR 3 HA THR 3 -0.074 2.646 -6.789
17 HB THR 3 HB THR 3 -1.897 0.220 -6.491
18 HG1 THR 3 HG1 THR 3 -1.420 2.120 -8.550
19 HG21 THR 3 3HG2 THR 3 -2.527 3.196 -6.449
20 HG22 THR 3 1HG2 THR 3 -3.719 1.876 -6.417
21 HG23 THR 3 2HG2 THR 3 -2.601 2.099 -5.050
22 H THR 4 H THR 4 -0.145 3.688 -4.921
23 HA THR 4 HA THR 4 0.724 2.256 -2.520
24 HB THR 4 HB THR 4 0.013 5.194 -2.921
25 HG1 THR 4 HG1 THR 4 2.431 3.706 -3.084
26 HG21 THR 4 3HG2 THR 4 1.480 3.771 -0.667
27 HG22 THR 4 1HG2 THR 4 1.254 5.528 -0.819
28 HG23 THR 4 2HG2 THR 4 -0.153 4.468 -0.565
29 H VAL 5 H VAL 5 -0.534 1.370 -1.065
30 HA VAL 5 HA VAL 5 -3.335 2.387 -0.832
31 HB VAL 5 HB VAL 5 -2.391 -0.507 -0.660
32 HG11 VAL 5 1HG1 VAL 5 -4.764 -1.058 -0.437
33 HG12 VAL 5 2HG1 VAL 5 -4.183 -0.054 0.914
34 HG13 VAL 5 3HG1 VAL 5 -5.161 0.676 -0.382
35 HG21 VAL 5 3HG2 VAL 5 -2.458 0.369 -2.969
36 HG22 VAL 5 1HG2 VAL 5 -3.767 -0.806 -2.694
37 HG23 VAL 5 2HG2 VAL 5 -4.124 0.938 -2.706
38 H SER 6 H SER 6 -3.916 3.008 1.129
39 HA SER 6 HA SER 6 -2.061 2.754 3.347
40 HB2 SER 6 2HB SER 6 -3.424 4.762 3.064
41 HB3 SER 6 3HB SER 6 -4.900 3.817 3.191
42 HG SER 6 HG SER 6 -3.590 3.147 5.263
43 H THR 7 H THR 7 -1.835 0.547 3.731
44 HA THR 7 HA THR 7 -4.258 -0.955 4.525
45 HB THR 7 HB THR 7 -2.818 -2.923 4.575
46 HG1 THR 7 HG1 THR 7 -0.704 -1.043 4.175
47 HG21 THR 7 3HG2 THR 7 -2.171 -1.166 2.176
48 HG22 THR 7 1HG2 THR 7 -2.023 -2.938 2.243
49 HG23 THR 7 2HG2 THR 7 -3.626 -2.174 2.364
50 H GLN 8 H GLN 8 -3.562 -2.623 6.423
51 HA GLN 8 HA GLN 8 -3.511 -1.008 8.800
52 HB2 GLN 8 2HB GLN 8 -3.568 -3.103 10.011
53 HB3 GLN 8 3HB GLN 8 -4.642 -3.233 8.627
54 HG2 GLN 8 2HG GLN 8 -1.823 -4.187 8.339
55 HG3 GLN 8 3HG GLN 8 -2.996 -5.171 9.259
56 HE21 GLN 8 1HE2 GLN 8 -2.949 -6.855 7.747
57 HE22 GLN 8 2HE2 GLN 8 -3.702 -6.713 6.194
58 H ARG 9 H ARG 9 -1.039 -2.188 6.768
59 HA ARG 9 HA ARG 9 0.987 -1.832 8.922
60 HB2 ARG 9 2HB ARG 9 1.228 -2.964 6.114
61 HB3 ARG 9 3HB ARG 9 2.578 -2.752 7.218
62 HG2 ARG 9 2HG ARG 9 1.525 -4.322 8.804
63 HG3 ARG 9 3HG ARG 9 0.186 -4.555 7.654
64 HD2 ARG 9 2HD ARG 9 1.738 -5.394 6.000
65 HD3 ARG 9 3HD ARG 9 3.091 -5.135 7.125
66 HE ARG 9 HE ARG 9 1.152 -6.754 8.390
67 HH11 ARG 9 1HH1 ARG 9 3.472 -6.886 5.756
68 HH12 ARG 9 2HH1 ARG 9 3.714 -8.613 5.890
69 HH21 ARG 9 1HH2 ARG 9 1.476 -8.995 8.555
70 HH22 ARG 9 2HH2 ARG 9 2.586 -9.808 7.474
71 H GLY 10 H GLY 10 -0.658 0.168 7.101
72 HA2 GLY 10 2HA GLY 10 -0.039 2.467 6.802
73 HA3 GLY 10 3HA GLY 10 1.649 2.002 6.725
74 HA PRO 11 HA PRO 11 -0.112 2.741 2.422
75 HB2 PRO 11 2HB PRO 11 2.368 4.484 2.402
76 HB3 PRO 11 3HB PRO 11 0.779 4.798 1.691
77 HG2 PRO 11 2HG PRO 11 1.425 6.045 3.955
78 HG3 PRO 11 3HG PRO 11 -0.201 5.377 3.779
79 HD2 PRO 11 2HD PRO 11 2.206 4.198 5.234
80 HD3 PRO 11 3HD PRO 11 0.487 4.310 5.787
81 H VAL 12 H VAL 12 0.437 0.988 1.270
82 HA VAL 12 HA VAL 12 3.337 0.456 0.823
83 HB VAL 12 HB VAL 12 2.876 -1.975 0.876
84 HG11 VAL 12 1HG1 VAL 12 2.585 -2.215 3.293
85 HG12 VAL 12 2HG1 VAL 12 3.700 -0.889 2.885
86 HG13 VAL 12 3HG1 VAL 12 2.032 -0.527 3.393
87 HG21 VAL 12 3HG2 VAL 12 0.488 -1.877 0.252
88 HG22 VAL 12 1HG2 VAL 12 0.714 -2.784 1.766
89 HG23 VAL 12 2HG2 VAL 12 0.109 -1.111 1.813
90 H TYR 13 H TYR 13 3.785 -0.786 -1.132
91 HA TYR 13 HA TYR 13 1.967 0.091 -3.293
92 HB2 TYR 13 2HB TYR 13 4.812 -0.972 -3.252
93 HB3 TYR 13 3HB TYR 13 3.912 -0.763 -4.749
94 HD1 TYR 13 HD1 TYR 13 5.343 1.006 -1.827
95 HD2 TYR 13 HD2 TYR 13 3.581 1.382 -5.722
96 HE1 TYR 13 HE1 TYR 13 6.018 3.381 -1.904
97 HE2 TYR 13 HE2 TYR 13 4.258 3.758 -5.799
98 HH TYR 13 HH TYR 13 5.223 5.432 -4.712
99 H ILE 14 H ILE 14 0.750 -1.183 -4.514
100 HA ILE 14 HA ILE 14 0.997 -4.125 -4.076
101 HB ILE 14 HB ILE 14 -1.342 -4.274 -4.887
102 HG12 ILE 14 2HG1 ILE 14 -1.324 -1.249 -4.948
103 HG13 ILE 14 3HG1 ILE 14 -1.179 -2.262 -6.377
104 HG21 ILE 14 1HG2 ILE 14 -2.427 -3.184 -2.964
105 HG22 ILE 14 2HG2 ILE 14 -0.919 -3.991 -2.475
106 HG23 ILE 14 3HG2 ILE 14 -0.958 -2.224 -2.675
107 HD11 ILE 14 3HD1 ILE 14 -3.520 -2.237 -4.459
108 HD12 ILE 14 1HD1 ILE 14 -3.466 -1.495 -6.074
109 HD13 ILE 14 2HD1 ILE 14 -3.373 -3.264 -5.905
110 H GLY 15 H GLY 15 0.742 -5.543 -5.873
111 HA2 GLY 15 2HA GLY 15 1.193 -6.223 -8.055
112 HA3 GLY 15 3HA GLY 15 0.933 -4.575 -8.595
113 H GLU 16 H GLU 16 2.659 -3.627 -9.467
114 HA GLU 16 HA GLU 16 5.342 -4.616 -9.148
115 HB2 GLU 16 2HB GLU 16 4.619 -3.379 -11.157
116 HB3 GLU 16 3HB GLU 16 4.328 -1.940 -10.191
117 HG2 GLU 16 2HG GLU 16 6.703 -1.767 -9.669
118 HG3 GLU 16 3HG GLU 16 7.026 -3.263 -10.542
119 H LEU 17 H LEU 17 7.031 -3.934 -7.931
120 HA LEU 17 HA LEU 17 6.338 -2.015 -5.746
121 HB2 LEU 17 2HB LEU 17 8.386 -4.261 -5.709
122 HB3 LEU 17 3HB LEU 17 7.966 -3.201 -4.359
123 HG LEU 17 HG LEU 17 6.081 -5.202 -5.656
124 HD11 LEU 17 1HD1 LEU 17 6.411 -6.489 -3.592
125 HD12 LEU 17 2HD1 LEU 17 7.931 -6.292 -4.496
126 HD13 LEU 17 3HD1 LEU 17 7.623 -5.306 -3.048
127 HD21 LEU 17 3HD2 LEU 17 4.957 -3.231 -4.672
128 HD22 LEU 17 1HD2 LEU 17 4.663 -4.691 -3.696
129 HD23 LEU 17 2HD2 LEU 17 5.849 -3.481 -3.152
130 HA PRO 18 HA PRO 18 9.639 -0.021 -8.104
131 HB2 PRO 18 2HB PRO 18 8.678 2.534 -7.983
132 HB3 PRO 18 3HB PRO 18 8.028 1.350 -9.124
133 HG2 PRO 18 2HG PRO 18 6.940 2.169 -6.396
134 HG3 PRO 18 3HG PRO 18 6.065 2.029 -7.924
135 HD2 PRO 18 2HD PRO 18 6.052 0.016 -6.074
136 HD3 PRO 18 3HD PRO 18 6.008 -0.323 -7.851
137 H GLN 19 H GLN 19 8.294 0.447 -4.932
138 HA GLN 19 HA GLN 19 10.861 1.668 -4.029
139 HB2 GLN 19 2HB GLN 19 8.059 2.518 -3.193
140 HB3 GLN 19 3HB GLN 19 9.535 3.046 -2.400
141 HG2 GLN 19 2HG GLN 19 8.867 3.541 -5.308
142 HG3 GLN 19 3HG GLN 19 8.637 4.706 -3.974
143 HE21 GLN 19 1HE2 GLN 19 10.482 4.303 -6.519
144 HE22 GLN 19 2HE2 GLN 19 12.029 4.810 -5.926
145 H ASP 20 H ASP 20 7.790 0.266 -2.818
146 HA ASP 20 HA ASP 20 9.158 -0.710 -0.421
147 HB2 ASP 20 2HB ASP 20 6.793 0.156 -0.409
148 HB3 ASP 20 3HB ASP 20 6.313 -1.235 -1.370
149 H PHE 21 H PHE 21 10.719 -2.024 -1.637
150 HA PHE 21 HA PHE 21 9.795 -4.363 -3.070
151 HB2 PHE 21 2HB PHE 21 12.494 -3.560 -1.929
152 HB3 PHE 21 3HB PHE 21 12.239 -5.076 -2.778
153 HD1 PHE 21 HD2 PHE 21 11.697 -5.095 -5.175
154 HD2 PHE 21 HD1 PHE 21 12.561 -1.464 -3.098
155 HE1 PHE 21 HE2 PHE 21 12.065 -3.950 -7.335
156 HE2 PHE 21 HE1 PHE 21 12.928 -0.313 -5.256
157 HZ PHE 21 HZ PHE 21 12.679 -1.557 -7.375
158 H LEU 22 H LEU 22 9.651 -6.470 -2.447
159 HA LEU 22 HA LEU 22 9.770 -6.931 0.504
160 HB2 LEU 22 2HB LEU 22 7.830 -8.125 -1.507
161 HB3 LEU 22 3HB LEU 22 7.887 -8.498 0.219
162 HG LEU 22 HG LEU 22 7.219 -5.775 -0.954
163 HD11 LEU 22 1HD1 LEU 22 4.927 -6.299 -0.250
164 HD12 LEU 22 2HD1 LEU 22 5.518 -7.447 -1.475
165 HD13 LEU 22 3HD1 LEU 22 5.450 -7.929 0.237
166 HD21 LEU 22 3HD2 LEU 22 8.270 -5.692 1.283
167 HD22 LEU 22 1HD2 LEU 22 6.544 -5.267 1.369
168 HD23 LEU 22 2HD2 LEU 22 7.089 -6.883 1.881
Start of MODEL 16
1 H MET 1 1H MET 1 -1.188 -2.051 -11.825
2 HA MET 1 HA MET 1 0.294 -2.363 -10.005
3 HB2 MET 1 2HB MET 1 1.586 -1.733 -12.686
4 HB3 MET 1 3HB MET 1 2.378 -2.609 -11.385
5 HG2 MET 1 2HG MET 1 0.679 -4.385 -11.535
6 HG3 MET 1 3HG MET 1 -0.136 -3.500 -12.828
7 HE1 MET 1 3HE MET 1 2.662 -5.922 -11.832
8 HE2 MET 1 1HE MET 1 3.874 -5.747 -13.123
9 HE3 MET 1 2HE MET 1 3.636 -4.435 -11.941
10 H ALA 2 H ALA 2 2.200 -1.712 -8.904
11 HA ALA 2 HA ALA 2 3.305 -0.151 -7.635
12 HB1 ALA 2 3HB ALA 2 3.258 1.425 -10.234
13 HB2 ALA 2 1HB ALA 2 4.293 1.775 -8.830
14 HB3 ALA 2 2HB ALA 2 4.505 0.257 -9.737
15 H THR 3 H THR 3 0.736 -0.161 -7.023
16 HA THR 3 HA THR 3 -0.035 2.725 -6.915
17 HB THR 3 HB THR 3 -1.809 0.250 -6.751
18 HG1 THR 3 HG1 THR 3 -1.325 2.234 -8.732
19 HG21 THR 3 3HG2 THR 3 -2.511 3.208 -6.639
20 HG22 THR 3 1HG2 THR 3 -3.672 1.862 -6.687
21 HG23 THR 3 2HG2 THR 3 -2.605 2.067 -5.279
22 H THR 4 H THR 4 -0.242 3.707 -5.018
23 HA THR 4 HA THR 4 0.643 2.238 -2.643
24 HB THR 4 HB THR 4 -0.180 5.156 -2.980
25 HG1 THR 4 HG1 THR 4 2.386 3.897 -2.876
26 HG21 THR 4 3HG2 THR 4 1.277 3.732 -0.720
27 HG22 THR 4 1HG2 THR 4 0.984 5.482 -0.832
28 HG23 THR 4 2HG2 THR 4 -0.385 4.361 -0.650
29 H VAL 5 H VAL 5 -0.599 1.272 -1.226
30 HA VAL 5 HA VAL 5 -3.434 2.190 -0.994
31 HB VAL 5 HB VAL 5 -2.386 -0.669 -0.834
32 HG11 VAL 5 1HG1 VAL 5 -4.738 -1.307 -0.618
33 HG12 VAL 5 2HG1 VAL 5 -4.196 -0.291 0.739
34 HG13 VAL 5 3HG1 VAL 5 -5.197 0.411 -0.555
35 HG21 VAL 5 3HG2 VAL 5 -2.483 0.217 -3.138
36 HG22 VAL 5 1HG2 VAL 5 -3.748 -1.006 -2.872
37 HG23 VAL 5 2HG2 VAL 5 -4.169 0.724 -2.875
38 H SER 6 H SER 6 -4.035 2.791 0.967
39 HA SER 6 HA SER 6 -2.180 2.574 3.191
40 HB2 SER 6 2HB SER 6 -3.551 4.558 2.956
41 HB3 SER 6 3HB SER 6 -5.025 3.602 2.979
42 HG SER 6 HG SER 6 -3.870 2.860 5.090
43 H THR 7 H THR 7 -1.917 0.848 4.400
44 HA THR 7 HA THR 7 -4.327 -0.819 4.994
45 HB THR 7 HB THR 7 -2.919 -2.787 5.116
46 HG1 THR 7 HG1 THR 7 -0.769 -0.961 4.660
47 HG21 THR 7 3HG2 THR 7 -2.211 -1.159 2.645
48 HG22 THR 7 1HG2 THR 7 -2.094 -2.927 2.798
49 HG23 THR 7 2HG2 THR 7 -3.684 -2.132 2.860
50 H GLN 8 H GLN 8 -3.629 -2.339 6.992
51 HA GLN 8 HA GLN 8 -3.524 -0.521 9.227
52 HB2 GLN 8 2HB GLN 8 -3.712 -2.486 10.611
53 HB3 GLN 8 3HB GLN 8 -4.757 -2.710 9.215
54 HG2 GLN 8 2HG GLN 8 -1.970 -3.795 9.118
55 HG3 GLN 8 3HG GLN 8 -3.221 -4.643 10.069
56 HE21 GLN 8 1HE2 GLN 8 -3.178 -6.455 8.708
57 HE22 GLN 8 2HE2 GLN 8 -3.866 -6.423 7.119
58 H ARG 9 H ARG 9 -1.115 -1.962 7.304
59 HA ARG 9 HA ARG 9 0.921 -1.580 9.448
60 HB2 ARG 9 2HB ARG 9 1.084 -2.998 6.768
61 HB3 ARG 9 3HB ARG 9 2.447 -2.773 7.853
62 HG2 ARG 9 2HG ARG 9 1.318 -4.110 9.573
63 HG3 ARG 9 3HG ARG 9 -0.073 -4.329 8.485
64 HD2 ARG 9 2HD ARG 9 1.311 -6.262 8.385
65 HD3 ARG 9 3HD ARG 9 1.450 -5.375 6.848
66 HE ARG 9 HE ARG 9 3.497 -4.598 8.700
67 HH11 ARG 9 1HH1 ARG 9 2.552 -7.135 6.461
68 HH12 ARG 9 2HH1 ARG 9 4.195 -7.649 6.154
69 HH21 ARG 9 1HH2 ARG 9 5.626 -5.275 8.294
70 HH22 ARG 9 2HH2 ARG 9 5.937 -6.597 7.191
71 H GLY 10 H GLY 10 -0.556 0.366 7.451
72 HA2 GLY 10 2HA GLY 10 0.322 2.577 6.975
73 HA3 GLY 10 3HA GLY 10 1.921 1.885 6.775
74 HA PRO 11 HA PRO 11 -0.131 2.370 2.628
75 HB2 PRO 11 2HB PRO 11 1.711 4.079 1.507
76 HB3 PRO 11 3HB PRO 11 0.337 4.657 2.459
77 HG2 PRO 11 2HG PRO 11 3.215 4.188 3.345
78 HG3 PRO 11 3HG PRO 11 2.196 5.598 3.641
79 HD2 PRO 11 2HD PRO 11 2.490 3.652 5.522
80 HD3 PRO 11 3HD PRO 11 0.916 4.517 5.301
81 H VAL 12 H VAL 12 0.342 0.831 1.165
82 HA VAL 12 HA VAL 12 3.193 0.026 0.814
83 HB VAL 12 HB VAL 12 2.499 -2.334 0.678
84 HG11 VAL 12 1HG1 VAL 12 1.981 -2.704 3.040
85 HG12 VAL 12 2HG1 VAL 12 3.244 -1.470 2.821
86 HG13 VAL 12 3HG1 VAL 12 1.580 -0.979 3.222
87 HG21 VAL 12 3HG2 VAL 12 0.192 -1.960 -0.125
88 HG22 VAL 12 1HG2 VAL 12 0.203 -2.983 1.332
89 HG23 VAL 12 2HG2 VAL 12 -0.246 -1.265 1.454
90 H TYR 13 H TYR 13 3.635 -1.084 -1.209
91 HA TYR 13 HA TYR 13 1.920 -0.009 -3.380
92 HB2 TYR 13 2HB TYR 13 4.767 -1.062 -3.304
93 HB3 TYR 13 3HB TYR 13 3.918 -0.772 -4.817
94 HD1 TYR 13 HD1 TYR 13 5.239 0.832 -1.754
95 HD2 TYR 13 HD2 TYR 13 3.603 1.424 -5.676
96 HE1 TYR 13 HE1 TYR 13 5.902 3.212 -1.672
97 HE2 TYR 13 HE2 TYR 13 4.264 3.803 -5.593
98 HH TYR 13 HH TYR 13 5.204 5.411 -4.392
99 H ILE 14 H ILE 14 0.784 -1.211 -4.753
100 HA ILE 14 HA ILE 14 1.017 -4.174 -4.469
101 HB ILE 14 HB ILE 14 -1.289 -4.280 -5.379
102 HG12 ILE 14 2HG1 ILE 14 -1.280 -1.258 -5.242
103 HG13 ILE 14 3HG1 ILE 14 -1.087 -2.177 -6.726
104 HG21 ILE 14 1HG2 ILE 14 -2.449 -3.324 -3.430
105 HG22 ILE 14 2HG2 ILE 14 -0.955 -4.157 -2.940
106 HG23 ILE 14 3HG2 ILE 14 -0.997 -2.380 -3.022
107 HD11 ILE 14 3HD1 ILE 14 -3.489 -2.275 -4.888
108 HD12 ILE 14 1HD1 ILE 14 -3.384 -1.430 -6.450
109 HD13 ILE 14 2HD1 ILE 14 -3.292 -3.207 -6.391
110 H GLY 15 H GLY 15 0.829 -5.483 -6.357
111 HA2 GLY 15 2HA GLY 15 1.379 -6.031 -8.555
112 HA3 GLY 15 3HA GLY 15 1.143 -4.353 -9.005
113 H GLU 16 H GLU 16 2.907 -3.366 -9.749
114 HA GLU 16 HA GLU 16 5.575 -4.362 -9.352
115 HB2 GLU 16 2HB GLU 16 4.945 -3.014 -11.320
116 HB3 GLU 16 3HB GLU 16 4.599 -1.633 -10.287
117 HG2 GLU 16 2HG GLU 16 6.945 -1.487 -9.639
118 HG3 GLU 16 3HG GLU 16 7.319 -2.928 -10.582
119 H LEU 17 H LEU 17 7.195 -3.753 -8.011
120 HA LEU 17 HA LEU 17 6.386 -1.965 -5.759
121 HB2 LEU 17 2HB LEU 17 8.431 -4.213 -5.742
122 HB3 LEU 17 3HB LEU 17 7.938 -3.233 -4.358
123 HG LEU 17 HG LEU 17 6.127 -5.150 -5.868
124 HD11 LEU 17 1HD1 LEU 17 6.350 -6.558 -3.870
125 HD12 LEU 17 2HD1 LEU 17 7.916 -6.311 -4.679
126 HD13 LEU 17 3HD1 LEU 17 7.530 -5.412 -3.194
127 HD21 LEU 17 3HD2 LEU 17 4.950 -3.239 -4.829
128 HD22 LEU 17 1HD2 LEU 17 4.607 -4.755 -3.959
129 HD23 LEU 17 2HD2 LEU 17 5.762 -3.581 -3.283
130 HA PRO 18 HA PRO 18 9.799 0.157 -7.824
131 HB2 PRO 18 2HB PRO 18 8.834 2.704 -7.591
132 HB3 PRO 18 3HB PRO 18 8.242 1.595 -8.834
133 HG2 PRO 18 2HG PRO 18 7.021 2.246 -6.118
134 HG3 PRO 18 3HG PRO 18 6.223 2.202 -7.693
135 HD2 PRO 18 2HD PRO 18 6.117 0.079 -5.977
136 HD3 PRO 18 3HD PRO 18 6.165 -0.150 -7.771
137 H GLN 19 H GLN 19 8.301 0.447 -4.698
138 HA GLN 19 HA GLN 19 10.827 1.589 -3.599
139 HB2 GLN 19 2HB GLN 19 7.994 2.416 -2.854
140 HB3 GLN 19 3HB GLN 19 9.433 2.883 -1.959
141 HG2 GLN 19 2HG GLN 19 8.912 3.554 -4.863
142 HG3 GLN 19 3HG GLN 19 8.624 4.640 -3.475
143 HE21 GLN 19 1HE2 GLN 19 10.593 4.365 -5.947
144 HE22 GLN 19 2HE2 GLN 19 12.111 4.823 -5.249
145 H ASP 20 H ASP 20 7.691 0.148 -2.626
146 HA ASP 20 HA ASP 20 8.932 -0.974 -0.224
147 HB2 ASP 20 2HB ASP 20 6.573 -0.086 -0.284
148 HB3 ASP 20 3HB ASP 20 6.135 -1.423 -1.338
149 H PHE 21 H PHE 21 10.542 -2.231 -1.437
150 HA PHE 21 HA PHE 21 9.678 -4.478 -3.042
151 HB2 PHE 21 2HB PHE 21 12.319 -3.768 -1.720
152 HB3 PHE 21 3HB PHE 21 12.096 -5.231 -2.664
153 HD1 PHE 21 HD2 PHE 21 11.690 -5.113 -5.083
154 HD2 PHE 21 HD1 PHE 21 12.452 -1.607 -2.764
155 HE1 PHE 21 HE2 PHE 21 12.178 -3.852 -7.153
156 HE2 PHE 21 HE1 PHE 21 12.939 -0.342 -4.831
157 HZ PHE 21 HZ PHE 21 12.802 -1.465 -7.026
158 H LEU 22 H LEU 22 9.499 -6.619 -2.546
159 HA LEU 22 HA LEU 22 9.445 -7.239 0.378
160 HB2 LEU 22 2HB LEU 22 7.622 -8.311 -1.805
161 HB3 LEU 22 3HB LEU 22 7.577 -8.779 -0.104
162 HG LEU 22 HG LEU 22 6.985 -5.992 -1.162
163 HD11 LEU 22 1HD1 LEU 22 4.655 -6.541 -0.620
164 HD12 LEU 22 2HD1 LEU 22 5.313 -7.625 -1.868
165 HD13 LEU 22 3HD1 LEU 22 5.145 -8.196 -0.190
166 HD21 LEU 22 3HD2 LEU 22 7.906 -6.036 1.132
167 HD22 LEU 22 1HD2 LEU 22 6.179 -5.605 1.142
168 HD23 LEU 22 2HD2 LEU 22 6.690 -7.249 1.597
Start of MODEL 17
1 H MET 1 1H MET 1 -0.683 -1.377 -12.074
2 HA MET 1 HA MET 1 0.513 -1.911 -10.101
3 HB2 MET 1 2HB MET 1 2.197 -1.328 -12.566
4 HB3 MET 1 3HB MET 1 2.722 -2.330 -11.221
5 HG2 MET 1 2HG MET 1 0.892 -3.912 -11.668
6 HG3 MET 1 3HG MET 1 0.331 -2.897 -13.000
7 HE1 MET 1 3HE MET 1 2.781 -5.598 -11.792
8 HE2 MET 1 1HE MET 1 4.139 -5.495 -12.940
9 HE3 MET 1 2HE MET 1 3.882 -4.199 -11.744
10 H ALA 2 H ALA 2 2.406 -1.529 -8.806
11 HA ALA 2 HA ALA 2 3.549 -0.160 -7.362
12 HB1 ALA 2 3HB ALA 2 3.821 1.584 -9.837
13 HB2 ALA 2 1HB ALA 2 4.778 1.748 -8.348
14 HB3 ALA 2 2HB ALA 2 4.927 0.281 -9.345
15 H THR 3 H THR 3 0.949 0.015 -6.928
16 HA THR 3 HA THR 3 0.492 2.943 -6.533
17 HB THR 3 HB THR 3 -1.578 0.730 -6.873
18 HG1 THR 3 HG1 THR 3 -0.612 2.834 -8.516
19 HG21 THR 3 3HG2 THR 3 -1.917 3.720 -6.419
20 HG22 THR 3 1HG2 THR 3 -3.224 2.560 -6.754
21 HG23 THR 3 2HG2 THR 3 -2.294 2.442 -5.240
22 H THR 4 H THR 4 0.283 3.682 -4.538
23 HA THR 4 HA THR 4 0.732 1.855 -2.321
24 HB THR 4 HB THR 4 0.571 3.924 -0.916
25 HG1 THR 4 HG1 THR 4 0.086 5.854 -1.874
26 HG21 THR 4 3HG2 THR 4 2.286 4.203 -3.414
27 HG22 THR 4 1HG2 THR 4 2.546 5.046 -1.870
28 HG23 THR 4 2HG2 THR 4 2.717 3.278 -1.958
29 H VAL 5 H VAL 5 -0.640 1.044 -0.874
30 HA VAL 5 HA VAL 5 -3.454 2.048 -0.937
31 HB VAL 5 HB VAL 5 -2.529 -0.839 -0.608
32 HG11 VAL 5 1HG1 VAL 5 -4.913 -1.391 -0.546
33 HG12 VAL 5 2HG1 VAL 5 -4.434 -0.352 0.817
34 HG13 VAL 5 3HG1 VAL 5 -5.314 0.343 -0.565
35 HG21 VAL 5 3HG2 VAL 5 -2.429 -0.022 -2.938
36 HG22 VAL 5 1HG2 VAL 5 -3.753 -1.193 -2.730
37 HG23 VAL 5 2HG2 VAL 5 -4.110 0.548 -2.812
38 H SER 6 H SER 6 -4.333 2.556 0.966
39 HA SER 6 HA SER 6 -2.619 2.655 3.291
40 HB2 SER 6 2HB SER 6 -4.246 4.408 2.882
41 HB3 SER 6 3HB SER 6 -5.568 3.252 2.903
42 HG SER 6 HG SER 6 -4.410 2.793 5.095
43 H THR 7 H THR 7 -2.099 0.878 4.368
44 HA THR 7 HA THR 7 -4.343 -0.933 5.159
45 HB THR 7 HB THR 7 -2.798 -2.797 5.222
46 HG1 THR 7 HG1 THR 7 -0.801 -0.864 4.555
47 HG21 THR 7 3HG2 THR 7 -2.361 -1.180 2.683
48 HG22 THR 7 1HG2 THR 7 -2.112 -2.932 2.860
49 HG23 THR 7 2HG2 THR 7 -3.747 -2.246 3.009
50 H GLN 8 H GLN 8 -3.399 -2.354 7.135
51 HA GLN 8 HA GLN 8 -3.241 -0.493 9.329
52 HB2 GLN 8 2HB GLN 8 -3.137 -2.451 10.747
53 HB3 GLN 8 3HB GLN 8 -4.307 -2.754 9.471
54 HG2 GLN 8 2HG GLN 8 -1.483 -3.658 9.075
55 HG3 GLN 8 3HG GLN 8 -2.562 -4.574 10.164
56 HE21 GLN 8 1HE2 GLN 8 -2.582 -6.400 8.835
57 HE22 GLN 8 2HE2 GLN 8 -3.431 -6.431 7.326
58 H ARG 9 H ARG 9 -0.899 -1.791 7.227
59 HA ARG 9 HA ARG 9 1.272 -1.185 9.176
60 HB2 ARG 9 2HB ARG 9 1.330 -2.664 6.525
61 HB3 ARG 9 3HB ARG 9 2.753 -2.303 7.490
62 HG2 ARG 9 2HG ARG 9 1.829 -3.660 9.341
63 HG3 ARG 9 3HG ARG 9 0.429 -4.060 8.316
64 HD2 ARG 9 2HD ARG 9 1.896 -5.087 6.691
65 HD3 ARG 9 3HD ARG 9 3.309 -4.662 7.684
66 HE ARG 9 HE ARG 9 1.485 -6.131 9.270
67 HH11 ARG 9 1HH1 ARG 9 3.653 -6.570 6.542
68 HH12 ARG 9 2HH1 ARG 9 3.946 -8.260 6.886
69 HH21 ARG 9 1HH2 ARG 9 1.873 -8.325 9.708
70 HH22 ARG 9 2HH2 ARG 9 2.939 -9.253 8.678
71 H GLY 10 H GLY 10 -0.524 0.578 7.278
72 HA2 GLY 10 2HA GLY 10 0.016 2.798 6.580
73 HA3 GLY 10 3HA GLY 10 1.709 2.355 6.476
74 HA PRO 11 HA PRO 11 -0.077 2.559 2.193
75 HB2 PRO 11 2HB PRO 11 2.708 3.694 1.811
76 HB3 PRO 11 3HB PRO 11 1.180 4.232 1.103
77 HG2 PRO 11 2HG PRO 11 2.210 5.642 3.115
78 HG3 PRO 11 3HG PRO 11 0.473 5.320 3.097
79 HD2 PRO 11 2HD PRO 11 2.670 3.894 4.659
80 HD3 PRO 11 3HD PRO 11 1.044 4.445 5.230
81 H VAL 12 H VAL 12 0.044 0.664 1.152
82 HA VAL 12 HA VAL 12 2.723 -0.642 0.910
83 HB VAL 12 HB VAL 12 -0.016 -1.965 1.121
84 HG11 VAL 12 1HG1 VAL 12 1.200 -4.085 1.018
85 HG12 VAL 12 2HG1 VAL 12 1.386 -3.137 -0.477
86 HG13 VAL 12 3HG1 VAL 12 2.713 -3.202 0.708
87 HG21 VAL 12 3HG2 VAL 12 0.891 -1.155 3.272
88 HG22 VAL 12 1HG2 VAL 12 0.921 -2.932 3.197
89 HG23 VAL 12 2HG2 VAL 12 2.421 -2.006 2.950
90 H TYR 13 H TYR 13 3.432 -1.062 -1.078
91 HA TYR 13 HA TYR 13 1.893 -0.092 -3.344
92 HB2 TYR 13 2HB TYR 13 4.602 -1.428 -3.059
93 HB3 TYR 13 3HB TYR 13 3.910 -1.063 -4.632
94 HD1 TYR 13 HD1 TYR 13 5.285 0.361 -1.532
95 HD2 TYR 13 HD2 TYR 13 3.729 1.205 -5.440
96 HE1 TYR 13 HE1 TYR 13 6.168 2.665 -1.387
97 HE2 TYR 13 HE2 TYR 13 4.612 3.508 -5.295
98 HH TYR 13 HH TYR 13 5.716 4.981 -4.063
99 H ILE 14 H ILE 14 0.763 -1.153 -4.840
100 HA ILE 14 HA ILE 14 0.764 -4.137 -4.676
101 HB ILE 14 HB ILE 14 -1.481 -4.053 -5.725
102 HG12 ILE 14 2HG1 ILE 14 -1.297 -1.047 -5.443
103 HG13 ILE 14 3HG1 ILE 14 -1.068 -1.911 -6.955
104 HG21 ILE 14 1HG2 ILE 14 -2.705 -3.114 -3.806
105 HG22 ILE 14 2HG2 ILE 14 -1.298 -4.060 -3.266
106 HG23 ILE 14 3HG2 ILE 14 -1.227 -2.282 -3.266
107 HD11 ILE 14 3HD1 ILE 14 -3.582 -1.934 -5.269
108 HD12 ILE 14 1HD1 ILE 14 -3.328 -1.031 -6.780
109 HD13 ILE 14 2HD1 ILE 14 -3.350 -2.811 -6.800
110 H GLY 15 H GLY 15 0.708 -5.346 -6.608
111 HA2 GLY 15 2HA GLY 15 1.220 -5.764 -8.857
112 HA3 GLY 15 3HA GLY 15 1.218 -4.040 -9.171
113 H GLU 16 H GLU 16 3.129 -3.056 -9.494
114 HA GLU 16 HA GLU 16 5.633 -4.482 -9.022
115 HB2 GLU 16 2HB GLU 16 5.361 -2.985 -10.971
116 HB3 GLU 16 3HB GLU 16 5.092 -1.616 -9.901
117 HG2 GLU 16 2HG GLU 16 7.365 -1.814 -9.030
118 HG3 GLU 16 3HG GLU 16 7.643 -3.238 -10.029
119 H LEU 17 H LEU 17 7.153 -4.141 -7.490
120 HA LEU 17 HA LEU 17 6.358 -2.314 -5.263
121 HB2 LEU 17 2HB LEU 17 8.126 -4.782 -5.137
122 HB3 LEU 17 3HB LEU 17 7.609 -3.787 -3.771
123 HG LEU 17 HG LEU 17 5.764 -5.460 -5.513
124 HD11 LEU 17 1HD1 LEU 17 5.622 -6.916 -3.541
125 HD12 LEU 17 2HD1 LEU 17 7.282 -6.830 -4.178
126 HD13 LEU 17 3HD1 LEU 17 6.841 -5.916 -2.716
127 HD21 LEU 17 3HD2 LEU 17 4.696 -3.448 -4.549
128 HD22 LEU 17 1HD2 LEU 17 4.104 -4.929 -3.760
129 HD23 LEU 17 2HD2 LEU 17 5.300 -3.901 -2.937
130 HA PRO 18 HA PRO 18 10.157 -0.567 -6.972
131 HB2 PRO 18 2HB PRO 18 9.478 2.074 -6.723
132 HB3 PRO 18 3HB PRO 18 8.872 1.075 -8.050
133 HG2 PRO 18 2HG PRO 18 7.507 1.792 -5.419
134 HG3 PRO 18 3HG PRO 18 6.845 1.883 -7.055
135 HD2 PRO 18 2HD PRO 18 6.347 -0.255 -5.434
136 HD3 PRO 18 3HD PRO 18 6.532 -0.445 -7.224
137 H GLN 19 H GLN 19 8.452 -0.136 -3.962
138 HA GLN 19 HA GLN 19 11.009 0.634 -2.637
139 HB2 GLN 19 2HB GLN 19 8.263 1.835 -2.105
140 HB3 GLN 19 3HB GLN 19 9.669 2.084 -1.082
141 HG2 GLN 19 2HG GLN 19 9.500 2.863 -3.999
142 HG3 GLN 19 3HG GLN 19 9.245 3.959 -2.612
143 HE21 GLN 19 1HE2 GLN 19 11.363 3.450 -4.916
144 HE22 GLN 19 2HE2 GLN 19 12.863 3.681 -4.083
145 H ASP 20 H ASP 20 7.636 -0.367 -1.948
146 HA ASP 20 HA ASP 20 8.520 -1.680 0.518
147 HB2 ASP 20 2HB ASP 20 6.331 -0.440 0.306
148 HB3 ASP 20 3HB ASP 20 5.770 -1.697 -0.787
149 H PHE 21 H PHE 21 9.996 -3.171 -0.567
150 HA PHE 21 HA PHE 21 8.934 -5.246 -2.281
151 HB2 PHE 21 2HB PHE 21 11.522 -4.978 -0.711
152 HB3 PHE 21 3HB PHE 21 11.155 -6.380 -1.704
153 HD1 PHE 21 HD2 PHE 21 11.015 -6.189 -4.143
154 HD2 PHE 21 HD1 PHE 21 12.081 -2.854 -1.696
155 HE1 PHE 21 HE2 PHE 21 11.890 -5.012 -6.133
156 HE2 PHE 21 HE1 PHE 21 12.955 -1.672 -3.684
157 HZ PHE 21 HZ PHE 21 12.858 -2.751 -5.903
158 H LEU 22 H LEU 22 8.365 -7.330 -1.840
159 HA LEU 22 HA LEU 22 7.887 -7.909 1.053
160 HB2 LEU 22 2HB LEU 22 6.149 -8.665 -1.321
161 HB3 LEU 22 3HB LEU 22 5.835 -9.082 0.366
162 HG LEU 22 HG LEU 22 5.877 -6.257 -0.753
163 HD11 LEU 22 1HD1 LEU 22 3.443 -6.366 -0.470
164 HD12 LEU 22 2HD1 LEU 22 4.022 -7.576 -1.638
165 HD13 LEU 22 3HD1 LEU 22 3.574 -8.073 0.011
166 HD21 LEU 22 3HD2 LEU 22 6.522 -6.419 1.628
167 HD22 LEU 22 1HD2 LEU 22 4.911 -5.684 1.449
168 HD23 LEU 22 2HD2 LEU 22 5.063 -7.383 1.958
Start of MODEL 18
1 H MET 1 1H MET 1 -0.982 -2.136 -11.875
2 HA MET 1 HA MET 1 0.546 -2.436 -10.090
3 HB2 MET 1 2HB MET 1 1.711 -1.568 -12.761
4 HB3 MET 1 3HB MET 1 2.634 -2.394 -11.515
5 HG2 MET 1 2HG MET 1 1.107 -4.331 -11.675
6 HG3 MET 1 3HG MET 1 0.198 -3.502 -12.940
7 HE1 MET 1 3HE MET 1 0.497 -5.563 -14.561
8 HE2 MET 1 1HE MET 1 2.071 -6.307 -14.932
9 HE3 MET 1 2HE MET 1 1.398 -6.420 -13.288
10 H ALA 2 H ALA 2 2.278 -1.693 -8.862
11 HA ALA 2 HA ALA 2 3.335 -0.119 -7.568
12 HB1 ALA 2 3HB ALA 2 3.333 1.454 -10.170
13 HB2 ALA 2 1HB ALA 2 4.331 1.818 -8.742
14 HB3 ALA 2 2HB ALA 2 4.580 0.302 -9.641
15 H THR 3 H THR 3 0.745 -0.159 -7.031
16 HA THR 3 HA THR 3 -0.044 2.721 -6.915
17 HB THR 3 HB THR 3 -1.796 0.230 -6.757
18 HG1 THR 3 HG1 THR 3 -1.308 2.211 -8.737
19 HG21 THR 3 3HG2 THR 3 -2.526 3.181 -6.649
20 HG22 THR 3 1HG2 THR 3 -3.674 1.823 -6.703
21 HG23 THR 3 2HG2 THR 3 -2.615 2.039 -5.288
22 H THR 4 H THR 4 -0.263 3.703 -5.021
23 HA THR 4 HA THR 4 0.635 2.245 -2.645
24 HB THR 4 HB THR 4 -0.203 5.157 -2.985
25 HG1 THR 4 HG1 THR 4 2.368 3.913 -2.880
26 HG21 THR 4 3HG2 THR 4 1.262 3.744 -0.724
27 HG22 THR 4 1HG2 THR 4 0.960 5.493 -0.839
28 HG23 THR 4 2HG2 THR 4 -0.403 4.365 -0.653
29 H VAL 5 H VAL 5 -0.603 1.266 -1.232
30 HA VAL 5 HA VAL 5 -3.442 2.171 -0.995
31 HB VAL 5 HB VAL 5 -2.377 -0.681 -0.833
32 HG11 VAL 5 1HG1 VAL 5 -4.725 -1.332 -0.614
33 HG12 VAL 5 2HG1 VAL 5 -4.188 -0.311 0.742
34 HG13 VAL 5 3HG1 VAL 5 -5.194 0.383 -0.552
35 HG21 VAL 5 3HG2 VAL 5 -2.480 0.201 -3.138
36 HG22 VAL 5 1HG2 VAL 5 -3.738 -1.028 -2.869
37 HG23 VAL 5 2HG2 VAL 5 -4.169 0.699 -2.874
38 H SER 6 H SER 6 -4.041 2.775 0.965
39 HA SER 6 HA SER 6 -2.183 2.566 3.189
40 HB2 SER 6 2HB SER 6 -3.557 4.548 2.950
41 HB3 SER 6 3HB SER 6 -5.031 3.590 2.976
42 HG SER 6 HG SER 6 -3.871 2.853 5.088
43 H THR 7 H THR 7 -1.917 0.845 4.403
44 HA THR 7 HA THR 7 -4.324 -0.829 4.996
45 HB THR 7 HB THR 7 -2.912 -2.792 5.120
46 HG1 THR 7 HG1 THR 7 -0.753 -0.979 4.649
47 HG21 THR 7 3HG2 THR 7 -2.191 -1.160 2.656
48 HG22 THR 7 1HG2 THR 7 -2.071 -2.929 2.809
49 HG23 THR 7 2HG2 THR 7 -3.664 -2.137 2.860
50 H GLN 8 H GLN 8 -3.621 -2.342 6.999
51 HA GLN 8 HA GLN 8 -3.518 -0.523 9.232
52 HB2 GLN 8 2HB GLN 8 -3.697 -2.488 10.617
53 HB3 GLN 8 3HB GLN 8 -4.744 -2.717 9.225
54 HG2 GLN 8 2HG GLN 8 -1.953 -3.791 9.121
55 HG3 GLN 8 3HG GLN 8 -3.198 -4.643 10.077
56 HE21 GLN 8 1HE2 GLN 8 -3.148 -6.456 8.717
57 HE22 GLN 8 2HE2 GLN 8 -3.841 -6.428 7.129
58 H ARG 9 H ARG 9 -1.108 -1.952 7.304
59 HA ARG 9 HA ARG 9 0.930 -1.564 9.445
60 HB2 ARG 9 2HB ARG 9 1.093 -2.981 6.764
61 HB3 ARG 9 3HB ARG 9 2.458 -2.751 7.846
62 HG2 ARG 9 2HG ARG 9 1.337 -4.091 9.570
63 HG3 ARG 9 3HG ARG 9 -0.054 -4.318 8.482
64 HD2 ARG 9 2HD ARG 9 1.338 -6.244 8.381
65 HD3 ARG 9 3HD ARG 9 1.472 -5.358 6.845
66 HE ARG 9 HE ARG 9 3.516 -4.571 8.695
67 HH11 ARG 9 1HH1 ARG 9 2.581 -7.113 6.458
68 HH12 ARG 9 2HH1 ARG 9 4.226 -7.621 6.151
69 HH21 ARG 9 1HH2 ARG 9 5.648 -5.239 8.288
70 HH22 ARG 9 2HH2 ARG 9 5.963 -6.561 7.186
71 H GLY 10 H GLY 10 -0.558 0.377 7.448
72 HA2 GLY 10 2HA GLY 10 0.308 2.588 6.962
73 HA3 GLY 10 3HA GLY 10 1.912 1.906 6.768
74 HA PRO 11 HA PRO 11 -0.134 2.368 2.617
75 HB2 PRO 11 2HB PRO 11 1.708 4.073 1.492
76 HB3 PRO 11 3HB PRO 11 0.333 4.654 2.439
77 HG2 PRO 11 2HG PRO 11 3.209 4.191 3.331
78 HG3 PRO 11 3HG PRO 11 2.188 5.602 3.621
79 HD2 PRO 11 2HD PRO 11 2.481 3.663 5.510
80 HD3 PRO 11 3HD PRO 11 0.906 4.525 5.283
81 H VAL 12 H VAL 12 0.341 0.829 1.154
82 HA VAL 12 HA VAL 12 3.193 0.020 0.812
83 HB VAL 12 HB VAL 12 2.497 -2.337 0.674
84 HG11 VAL 12 1HG1 VAL 12 1.969 -2.707 3.035
85 HG12 VAL 12 2HG1 VAL 12 3.233 -1.474 2.820
86 HG13 VAL 12 3HG1 VAL 12 1.569 -0.982 3.214
87 HG21 VAL 12 3HG2 VAL 12 0.193 -1.962 -0.137
88 HG22 VAL 12 1HG2 VAL 12 0.197 -2.985 1.319
89 HG23 VAL 12 2HG2 VAL 12 -0.251 -1.266 1.440
90 H TYR 13 H TYR 13 3.634 -1.101 -1.208
91 HA TYR 13 HA TYR 13 1.931 -0.018 -3.386
92 HB2 TYR 13 2HB TYR 13 4.772 -1.089 -3.306
93 HB3 TYR 13 3HB TYR 13 3.927 -0.784 -4.817
94 HD1 TYR 13 HD1 TYR 13 5.283 0.784 -1.755
95 HD2 TYR 13 HD2 TYR 13 3.606 1.426 -5.652
96 HE1 TYR 13 HE1 TYR 13 5.964 3.157 -1.657
97 HE2 TYR 13 HE2 TYR 13 4.288 3.800 -5.554
98 HH TYR 13 HH TYR 13 5.251 5.388 -4.347
99 H ILE 14 H ILE 14 0.787 -1.215 -4.753
100 HA ILE 14 HA ILE 14 1.016 -4.180 -4.474
101 HB ILE 14 HB ILE 14 -1.297 -4.282 -5.370
102 HG12 ILE 14 2HG1 ILE 14 -1.285 -1.260 -5.226
103 HG13 ILE 14 3HG1 ILE 14 -1.099 -2.175 -6.713
104 HG21 ILE 14 1HG2 ILE 14 -2.443 -3.329 -3.411
105 HG22 ILE 14 2HG2 ILE 14 -0.948 -4.164 -2.932
106 HG23 ILE 14 3HG2 ILE 14 -0.987 -2.387 -3.011
107 HD11 ILE 14 3HD1 ILE 14 -3.492 -2.277 -4.863
108 HD12 ILE 14 1HD1 ILE 14 -3.395 -1.429 -6.423
109 HD13 ILE 14 2HD1 ILE 14 -3.304 -3.205 -6.369
110 H GLY 15 H GLY 15 0.801 -5.484 -6.368
111 HA2 GLY 15 2HA GLY 15 1.332 -6.026 -8.571
112 HA3 GLY 15 3HA GLY 15 1.099 -4.346 -9.013
113 H GLU 16 H GLU 16 2.864 -3.404 -9.811
114 HA GLU 16 HA GLU 16 5.532 -4.386 -9.424
115 HB2 GLU 16 2HB GLU 16 4.866 -3.020 -11.378
116 HB3 GLU 16 3HB GLU 16 4.562 -1.643 -10.328
117 HG2 GLU 16 2HG GLU 16 6.922 -1.538 -9.725
118 HG3 GLU 16 3HG GLU 16 7.255 -2.974 -10.690
119 H LEU 17 H LEU 17 7.158 -3.798 -8.087
120 HA LEU 17 HA LEU 17 6.364 -2.029 -5.813
121 HB2 LEU 17 2HB LEU 17 8.384 -4.300 -5.821
122 HB3 LEU 17 3HB LEU 17 7.901 -3.331 -4.425
123 HG LEU 17 HG LEU 17 6.070 -5.209 -5.961
124 HD11 LEU 17 1HD1 LEU 17 6.276 -6.645 -3.980
125 HD12 LEU 17 2HD1 LEU 17 7.844 -6.405 -4.785
126 HD13 LEU 17 3HD1 LEU 17 7.468 -5.519 -3.289
127 HD21 LEU 17 3HD2 LEU 17 4.914 -3.299 -4.899
128 HD22 LEU 17 1HD2 LEU 17 4.553 -4.820 -4.048
129 HD23 LEU 17 2HD2 LEU 17 5.720 -3.668 -3.356
130 HA PRO 18 HA PRO 18 9.803 0.085 -7.841
131 HB2 PRO 18 2HB PRO 18 8.870 2.640 -7.558
132 HB3 PRO 18 3HB PRO 18 8.261 1.561 -8.820
133 HG2 PRO 18 2HG PRO 18 7.056 2.178 -6.088
134 HG3 PRO 18 3HG PRO 18 6.253 2.173 -7.661
135 HD2 PRO 18 2HD PRO 18 6.126 0.021 -5.983
136 HD3 PRO 18 3HD PRO 18 6.163 -0.176 -7.782
137 H GLN 19 H GLN 19 8.312 0.340 -4.706
138 HA GLN 19 HA GLN 19 10.854 1.430 -3.592
139 HB2 GLN 19 2HB GLN 19 8.032 2.284 -2.831
140 HB3 GLN 19 3HB GLN 19 9.479 2.719 -1.932
141 HG2 GLN 19 2HG GLN 19 8.965 3.439 -4.825
142 HG3 GLN 19 3HG GLN 19 8.693 4.510 -3.420
143 HE21 GLN 19 1HE2 GLN 19 10.652 4.255 -5.896
144 HE22 GLN 19 2HE2 GLN 19 12.179 4.677 -5.194
145 H ASP 20 H ASP 20 7.699 0.017 -2.641
146 HA ASP 20 HA ASP 20 8.921 -1.157 -0.255
147 HB2 ASP 20 2HB ASP 20 6.575 -0.242 -0.303
148 HB3 ASP 20 3HB ASP 20 6.121 -1.554 -1.383
149 H PHE 21 H PHE 21 10.520 -2.417 -1.478
150 HA PHE 21 HA PHE 21 9.629 -4.631 -3.117
151 HB2 PHE 21 2HB PHE 21 12.280 -3.966 -1.789
152 HB3 PHE 21 3HB PHE 21 12.040 -5.414 -2.754
153 HD1 PHE 21 HD2 PHE 21 11.625 -5.256 -5.171
154 HD2 PHE 21 HD1 PHE 21 12.441 -1.795 -2.803
155 HE1 PHE 21 HE2 PHE 21 12.124 -3.972 -7.224
156 HE2 PHE 21 HE1 PHE 21 12.939 -0.507 -4.854
157 HZ PHE 21 HZ PHE 21 12.780 -1.595 -7.065
158 H LEU 22 H LEU 22 9.421 -6.774 -2.649
159 HA LEU 22 HA LEU 22 9.364 -7.431 0.267
160 HB2 LEU 22 2HB LEU 22 7.545 -8.471 -1.935
161 HB3 LEU 22 3HB LEU 22 7.491 -8.956 -0.236
162 HG LEU 22 HG LEU 22 6.914 -6.158 -1.275
163 HD11 LEU 22 1HD1 LEU 22 4.581 -6.701 -0.738
164 HD12 LEU 22 2HD1 LEU 22 5.235 -7.780 -1.992
165 HD13 LEU 22 3HD1 LEU 22 5.065 -8.361 -0.319
166 HD21 LEU 22 3HD2 LEU 22 7.833 -6.220 1.020
167 HD22 LEU 22 1HD2 LEU 22 6.108 -5.784 1.031
168 HD23 LEU 22 2HD2 LEU 22 6.612 -7.431 1.476
Start of MODEL 19
1 H MET 1 1H MET 1 -1.414 -2.535 -11.166
2 HA MET 1 HA MET 1 0.310 -2.669 -9.547
3 HB2 MET 1 2HB MET 1 1.146 -1.997 -12.392
4 HB3 MET 1 3HB MET 1 2.226 -2.702 -11.199
5 HG2 MET 1 2HG MET 1 0.741 -4.673 -11.029
6 HG3 MET 1 3HG MET 1 -0.322 -3.967 -12.248
7 HE1 MET 1 3HE MET 1 -0.137 -6.170 -13.702
8 HE2 MET 1 1HE MET 1 1.411 -6.903 -14.189
9 HE3 MET 1 2HE MET 1 0.934 -6.885 -12.473
10 H ALA 2 H ALA 2 2.113 -1.800 -8.547
11 HA ALA 2 HA ALA 2 3.364 -0.130 -7.595
12 HB1 ALA 2 3HB ALA 2 2.880 1.274 -10.247
13 HB2 ALA 2 1HB ALA 2 4.087 1.751 -9.030
14 HB3 ALA 2 2HB ALA 2 4.235 0.188 -9.867
15 H THR 3 H THR 3 0.589 -0.224 -7.037
16 HA THR 3 HA THR 3 -0.130 2.663 -6.832
17 HB THR 3 HB THR 3 -1.871 0.175 -6.561
18 HG1 THR 3 HG1 THR 3 -1.467 2.125 -8.587
19 HG21 THR 3 3HG2 THR 3 -2.598 3.127 -6.455
20 HG22 THR 3 1HG2 THR 3 -3.746 1.768 -6.439
21 HG23 THR 3 2HG2 THR 3 -2.623 2.002 -5.078
22 H THR 4 H THR 4 -0.228 3.676 -4.949
23 HA THR 4 HA THR 4 0.687 2.223 -2.571
24 HB THR 4 HB THR 4 -0.037 5.162 -2.942
25 HG1 THR 4 HG1 THR 4 2.401 3.695 -3.080
26 HG21 THR 4 3HG2 THR 4 1.431 3.726 -0.697
27 HG22 THR 4 1HG2 THR 4 1.199 5.484 -0.835
28 HG23 THR 4 2HG2 THR 4 -0.205 4.417 -0.592
29 H VAL 5 H VAL 5 -0.544 1.354 -1.080
30 HA VAL 5 HA VAL 5 -3.359 2.331 -0.846
31 HB VAL 5 HB VAL 5 -2.373 -0.548 -0.654
32 HG11 VAL 5 1HG1 VAL 5 -4.738 -1.129 -0.411
33 HG12 VAL 5 2HG1 VAL 5 -4.163 -0.106 0.927
34 HG13 VAL 5 3HG1 VAL 5 -5.159 0.600 -0.369
35 HG21 VAL 5 3HG2 VAL 5 -2.468 0.307 -2.969
36 HG22 VAL 5 1HG2 VAL 5 -3.759 -0.883 -2.677
37 HG23 VAL 5 2HG2 VAL 5 -4.140 0.856 -2.702
38 H SER 6 H SER 6 -3.944 2.954 1.114
39 HA SER 6 HA SER 6 -2.066 2.740 3.323
40 HB2 SER 6 2HB SER 6 -3.432 4.744 3.021
41 HB3 SER 6 3HB SER 6 -4.907 3.800 3.170
42 HG SER 6 HG SER 6 -3.582 3.158 5.242
43 H THR 7 H THR 7 -1.834 0.546 3.751
44 HA THR 7 HA THR 7 -4.254 -0.953 4.560
45 HB THR 7 HB THR 7 -2.813 -2.920 4.626
46 HG1 THR 7 HG1 THR 7 -0.700 -1.041 4.207
47 HG21 THR 7 3HG2 THR 7 -2.170 -1.185 2.211
48 HG22 THR 7 1HG2 THR 7 -2.020 -2.956 2.293
49 HG23 THR 7 2HG2 THR 7 -3.624 -2.191 2.409
50 H GLN 8 H GLN 8 -3.562 -2.597 6.475
51 HA GLN 8 HA GLN 8 -3.501 -0.953 8.833
52 HB2 GLN 8 2HB GLN 8 -3.568 -3.033 10.069
53 HB3 GLN 8 3HB GLN 8 -4.643 -3.177 8.686
54 HG2 GLN 8 2HG GLN 8 -1.827 -4.147 8.413
55 HG3 GLN 8 3HG GLN 8 -3.007 -5.113 9.343
56 HE21 GLN 8 1HE2 GLN 8 -2.969 -6.815 7.852
57 HE22 GLN 8 2HE2 GLN 8 -3.717 -6.688 6.295
58 H ARG 9 H ARG 9 -1.037 -2.167 6.812
59 HA ARG 9 HA ARG 9 0.994 -1.803 8.958
60 HB2 ARG 9 2HB ARG 9 1.225 -2.951 6.156
61 HB3 ARG 9 3HB ARG 9 2.578 -2.738 7.256
62 HG2 ARG 9 2HG ARG 9 1.523 -4.297 8.852
63 HG3 ARG 9 3HG ARG 9 0.179 -4.530 7.708
64 HD2 ARG 9 2HD ARG 9 1.721 -5.384 6.054
65 HD3 ARG 9 3HD ARG 9 3.080 -5.125 7.173
66 HE ARG 9 HE ARG 9 1.137 -6.729 8.454
67 HH11 ARG 9 1HH1 ARG 9 3.447 -6.885 5.812
68 HH12 ARG 9 2HH1 ARG 9 3.683 -8.613 5.955
69 HH21 ARG 9 1HH2 ARG 9 1.452 -8.971 8.630
70 HH22 ARG 9 2HH2 ARG 9 2.554 -9.794 7.549
71 H GLY 10 H GLY 10 -0.647 0.190 7.122
72 HA2 GLY 10 2HA GLY 10 -0.018 2.485 6.807
73 HA3 GLY 10 3HA GLY 10 1.668 2.012 6.729
74 HA PRO 11 HA PRO 11 -0.101 2.727 2.424
75 HB2 PRO 11 2HB PRO 11 2.388 4.455 2.387
76 HB3 PRO 11 3HB PRO 11 0.801 4.771 1.673
77 HG2 PRO 11 2HG PRO 11 1.453 6.034 3.927
78 HG3 PRO 11 3HG PRO 11 -0.176 5.372 3.757
79 HD2 PRO 11 2HD PRO 11 2.227 4.196 5.222
80 HD3 PRO 11 3HD PRO 11 0.509 4.320 5.774
81 H VAL 12 H VAL 12 0.436 0.975 1.266
82 HA VAL 12 HA VAL 12 3.333 0.423 0.825
83 HB VAL 12 HB VAL 12 2.857 -2.004 0.871
84 HG11 VAL 12 1HG1 VAL 12 2.555 -2.249 3.287
85 HG12 VAL 12 2HG1 VAL 12 3.680 -0.929 2.887
86 HG13 VAL 12 3HG1 VAL 12 2.013 -0.557 3.390
87 HG21 VAL 12 3HG2 VAL 12 0.472 -1.892 0.239
88 HG22 VAL 12 1HG2 VAL 12 0.687 -2.802 1.751
89 HG23 VAL 12 2HG2 VAL 12 0.092 -1.126 1.800
90 H TYR 13 H TYR 13 3.762 -0.850 -1.127
91 HA TYR 13 HA TYR 13 1.963 0.053 -3.295
92 HB2 TYR 13 2HB TYR 13 4.789 -1.062 -3.255
93 HB3 TYR 13 3HB TYR 13 3.892 -0.822 -4.749
94 HD1 TYR 13 HD1 TYR 13 5.516 0.843 -1.899
95 HD2 TYR 13 HD2 TYR 13 3.454 1.384 -5.623
96 HE1 TYR 13 HE1 TYR 13 6.242 3.205 -1.959
97 HE2 TYR 13 HE2 TYR 13 4.180 3.746 -5.683
98 HH TYR 13 HH TYR 13 6.515 5.009 -3.443
99 H ILE 14 H ILE 14 0.771 -1.211 -4.562
100 HA ILE 14 HA ILE 14 0.978 -4.157 -4.109
101 HB ILE 14 HB ILE 14 -1.364 -4.288 -4.917
102 HG12 ILE 14 2HG1 ILE 14 -1.330 -1.264 -4.949
103 HG13 ILE 14 3HG1 ILE 14 -1.196 -2.264 -6.387
104 HG21 ILE 14 1HG2 ILE 14 -2.435 -3.211 -2.979
105 HG22 ILE 14 2HG2 ILE 14 -0.930 -4.030 -2.503
106 HG23 ILE 14 3HG2 ILE 14 -0.959 -2.260 -2.686
107 HD11 ILE 14 3HD1 ILE 14 -3.530 -2.244 -4.461
108 HD12 ILE 14 1HD1 ILE 14 -3.478 -1.486 -6.069
109 HD13 ILE 14 2HD1 ILE 14 -3.393 -3.258 -5.916
110 H GLY 15 H GLY 15 0.729 -5.569 -5.904
111 HA2 GLY 15 2HA GLY 15 1.191 -6.247 -8.083
112 HA3 GLY 15 3HA GLY 15 0.899 -4.607 -8.627
113 H GLU 16 H GLU 16 2.603 -3.645 -9.527
114 HA GLU 16 HA GLU 16 5.303 -4.568 -9.241
115 HB2 GLU 16 2HB GLU 16 4.506 -3.286 -11.205
116 HB3 GLU 16 3HB GLU 16 4.248 -1.873 -10.191
117 HG2 GLU 16 2HG GLU 16 6.641 -1.732 -9.727
118 HG3 GLU 16 3HG GLU 16 6.929 -3.196 -10.666
119 H LEU 17 H LEU 17 6.960 -3.957 -7.973
120 HA LEU 17 HA LEU 17 6.287 -2.040 -5.782
121 HB2 LEU 17 2HB LEU 17 8.301 -4.314 -5.746
122 HB3 LEU 17 3HB LEU 17 7.883 -3.262 -4.392
123 HG LEU 17 HG LEU 17 5.989 -5.232 -5.722
124 HD11 LEU 17 1HD1 LEU 17 6.277 -6.529 -3.658
125 HD12 LEU 17 2HD1 LEU 17 7.812 -6.346 -4.539
126 HD13 LEU 17 3HD1 LEU 17 7.493 -5.359 -3.092
127 HD21 LEU 17 3HD2 LEU 17 4.873 -3.253 -4.747
128 HD22 LEU 17 1HD2 LEU 17 4.549 -4.712 -3.781
129 HD23 LEU 17 2HD2 LEU 17 5.741 -3.516 -3.216
130 HA PRO 18 HA PRO 18 9.587 -0.057 -8.124
131 HB2 PRO 18 2HB PRO 18 8.716 2.525 -7.837
132 HB3 PRO 18 3HB PRO 18 7.995 1.418 -9.015
133 HG2 PRO 18 2HG PRO 18 7.023 2.126 -6.212
134 HG3 PRO 18 3HG PRO 18 6.094 2.086 -7.714
135 HD2 PRO 18 2HD PRO 18 6.074 -0.014 -5.974
136 HD3 PRO 18 3HD PRO 18 5.984 -0.267 -7.764
137 H GLN 19 H GLN 19 8.372 0.389 -4.882
138 HA GLN 19 HA GLN 19 11.055 1.368 -4.033
139 HB2 GLN 19 2HB GLN 19 8.356 2.456 -3.146
140 HB3 GLN 19 3HB GLN 19 9.863 2.784 -2.301
141 HG2 GLN 19 2HG GLN 19 10.771 3.843 -4.330
142 HG3 GLN 19 3HG GLN 19 9.218 3.537 -5.159
143 HE21 GLN 19 1HE2 GLN 19 10.617 6.083 -4.545
144 HE22 GLN 19 2HE2 GLN 19 9.487 7.024 -3.631
145 H ASP 20 H ASP 20 7.910 0.207 -2.763
146 HA ASP 20 HA ASP 20 9.230 -0.918 -0.414
147 HB2 ASP 20 2HB ASP 20 6.920 0.084 -0.371
148 HB3 ASP 20 3HB ASP 20 6.356 -1.258 -1.358
149 H PHE 21 H PHE 21 10.707 -2.303 -1.647
150 HA PHE 21 HA PHE 21 9.636 -4.568 -3.105
151 HB2 PHE 21 2HB PHE 21 12.389 -3.920 -1.998
152 HB3 PHE 21 3HB PHE 21 12.041 -5.417 -2.850
153 HD1 PHE 21 HD2 PHE 21 11.429 -5.382 -5.240
154 HD2 PHE 21 HD1 PHE 21 12.586 -1.835 -3.159
155 HE1 PHE 21 HE2 PHE 21 11.826 -4.248 -7.400
156 HE2 PHE 21 HE1 PHE 21 12.982 -0.696 -5.317
157 HZ PHE 21 HZ PHE 21 12.602 -1.903 -7.437
158 H LEU 22 H LEU 22 9.424 -6.683 -2.503
159 HA LEU 22 HA LEU 22 10.153 -7.601 0.152
160 HB2 LEU 22 2HB LEU 22 8.154 -6.288 0.718
161 HB3 LEU 22 3HB LEU 22 7.215 -7.163 -0.494
162 HG LEU 22 HG LEU 22 7.606 -9.273 0.829
163 HD11 LEU 22 1HD1 LEU 22 8.374 -9.029 3.148
164 HD12 LEU 22 2HD1 LEU 22 9.637 -8.563 1.984
165 HD13 LEU 22 3HD1 LEU 22 8.720 -7.309 2.852
166 HD21 LEU 22 3HD2 LEU 22 5.524 -7.949 1.000
167 HD22 LEU 22 1HD2 LEU 22 5.958 -8.670 2.569
168 HD23 LEU 22 2HD2 LEU 22 6.269 -6.944 2.266
Start of MODEL 20
1 H MET 1 1H MET 1 -0.973 -2.107 -11.904
2 HA MET 1 HA MET 1 0.551 -2.414 -10.117
3 HB2 MET 1 2HB MET 1 1.721 -1.531 -12.782
4 HB3 MET 1 3HB MET 1 2.643 -2.362 -11.537
5 HG2 MET 1 2HG MET 1 1.118 -4.300 -11.709
6 HG3 MET 1 3HG MET 1 0.211 -3.466 -12.973
7 HE1 MET 1 3HE MET 1 0.516 -5.519 -14.605
8 HE2 MET 1 1HE MET 1 2.091 -6.260 -14.975
9 HE3 MET 1 2HE MET 1 1.414 -6.382 -13.332
10 H ALA 2 H ALA 2 2.282 -1.675 -8.883
11 HA ALA 2 HA ALA 2 3.335 -0.107 -7.580
12 HB1 ALA 2 3HB ALA 2 3.335 1.481 -10.173
13 HB2 ALA 2 1HB ALA 2 4.329 1.837 -8.742
14 HB3 ALA 2 2HB ALA 2 4.584 0.327 -9.649
15 H THR 3 H THR 3 0.747 -0.153 -7.044
16 HA THR 3 HA THR 3 -0.050 2.725 -6.919
17 HB THR 3 HB THR 3 -1.794 0.228 -6.766
18 HG1 THR 3 HG1 THR 3 -1.344 2.230 -8.738
19 HG21 THR 3 3HG2 THR 3 -2.533 3.176 -6.650
20 HG22 THR 3 1HG2 THR 3 -3.677 1.816 -6.705
21 HG23 THR 3 2HG2 THR 3 -2.618 2.031 -5.292
22 H THR 4 H THR 4 -0.272 3.702 -5.022
23 HA THR 4 HA THR 4 0.630 2.241 -2.650
24 HB THR 4 HB THR 4 -0.219 5.151 -2.983
25 HG1 THR 4 HG1 THR 4 2.356 3.912 -2.885
26 HG21 THR 4 3HG2 THR 4 1.250 3.739 -0.725
27 HG22 THR 4 1HG2 THR 4 0.942 5.487 -0.836
28 HG23 THR 4 2HG2 THR 4 -0.417 4.353 -0.654
29 H VAL 5 H VAL 5 -0.603 1.256 -1.239
30 HA VAL 5 HA VAL 5 -3.446 2.149 -1.000
31 HB VAL 5 HB VAL 5 -2.368 -0.699 -0.836
32 HG11 VAL 5 1HG1 VAL 5 -4.713 -1.361 -0.616
33 HG12 VAL 5 2HG1 VAL 5 -4.180 -0.336 0.738
34 HG13 VAL 5 3HG1 VAL 5 -5.190 0.353 -0.555
35 HG21 VAL 5 3HG2 VAL 5 -2.476 0.182 -3.142
36 HG22 VAL 5 1HG2 VAL 5 -3.728 -1.054 -2.872
37 HG23 VAL 5 2HG2 VAL 5 -4.167 0.671 -2.878
38 H SER 6 H SER 6 -4.042 2.760 0.958
39 HA SER 6 HA SER 6 -2.182 2.559 3.180
40 HB2 SER 6 2HB SER 6 -3.559 4.538 2.936
41 HB3 SER 6 3HB SER 6 -5.031 3.578 2.968
42 HG SER 6 HG SER 6 -3.917 2.840 5.080
43 H THR 7 H THR 7 -1.913 0.847 4.407
44 HA THR 7 HA THR 7 -4.317 -0.828 5.008
45 HB THR 7 HB THR 7 -2.900 -2.786 5.151
46 HG1 THR 7 HG1 THR 7 -0.749 -0.965 4.673
47 HG21 THR 7 3HG2 THR 7 -2.185 -1.175 2.672
48 HG22 THR 7 1HG2 THR 7 -2.060 -2.941 2.840
49 HG23 THR 7 2HG2 THR 7 -3.656 -2.152 2.885
50 H GLN 8 H GLN 8 -3.623 -2.322 7.025
51 HA GLN 8 HA GLN 8 -3.533 -0.481 9.240
52 HB2 GLN 8 2HB GLN 8 -3.726 -2.432 10.643
53 HB3 GLN 8 3HB GLN 8 -4.763 -2.673 9.245
54 HG2 GLN 8 2HG GLN 8 -1.972 -3.752 9.176
55 HG3 GLN 8 3HG GLN 8 -3.229 -4.593 10.128
56 HE21 GLN 8 1HE2 GLN 8 -3.174 -6.420 8.787
57 HE22 GLN 8 2HE2 GLN 8 -3.851 -6.404 7.191
58 H ARG 9 H ARG 9 -1.110 -1.938 7.346
59 HA ARG 9 HA ARG 9 0.910 -1.526 9.497
60 HB2 ARG 9 2HB ARG 9 1.090 -2.987 6.841
61 HB3 ARG 9 3HB ARG 9 2.447 -2.744 7.930
62 HG2 ARG 9 2HG ARG 9 1.301 -4.051 9.668
63 HG3 ARG 9 3HG ARG 9 -0.076 -4.296 8.565
64 HD2 ARG 9 2HD ARG 9 1.315 -6.223 8.516
65 HD3 ARG 9 3HD ARG 9 1.473 -5.364 6.966
66 HE ARG 9 HE ARG 9 3.493 -4.543 8.827
67 HH11 ARG 9 1HH1 ARG 9 2.584 -7.137 6.638
68 HH12 ARG 9 2HH1 ARG 9 4.232 -7.654 6.367
69 HH21 ARG 9 1HH2 ARG 9 5.628 -5.224 8.468
70 HH22 ARG 9 2HH2 ARG 9 5.956 -6.573 7.402
71 H GLY 10 H GLY 10 -0.553 0.388 7.461
72 HA2 GLY 10 2HA GLY 10 0.336 2.593 6.968
73 HA3 GLY 10 3HA GLY 10 1.931 1.892 6.771
74 HA PRO 11 HA PRO 11 -0.138 2.341 2.627
75 HB2 PRO 11 2HB PRO 11 1.695 4.041 1.483
76 HB3 PRO 11 3HB PRO 11 0.325 4.626 2.435
77 HG2 PRO 11 2HG PRO 11 3.208 4.170 3.313
78 HG3 PRO 11 3HG PRO 11 2.187 5.582 3.601
79 HD2 PRO 11 2HD PRO 11 2.492 3.653 5.499
80 HD3 PRO 11 3HD PRO 11 0.916 4.514 5.277
81 H VAL 12 H VAL 12 0.337 0.810 1.152
82 HA VAL 12 HA VAL 12 3.187 -0.003 0.812
83 HB VAL 12 HB VAL 12 2.486 -2.359 0.662
84 HG11 VAL 12 1HG1 VAL 12 1.952 -2.737 3.021
85 HG12 VAL 12 2HG1 VAL 12 3.221 -1.507 2.813
86 HG13 VAL 12 3HG1 VAL 12 1.557 -1.012 3.207
87 HG21 VAL 12 3HG2 VAL 12 0.184 -1.975 -0.151
88 HG22 VAL 12 1HG2 VAL 12 0.184 -3.004 1.301
89 HG23 VAL 12 2HG2 VAL 12 -0.261 -1.285 1.428
90 H TYR 13 H TYR 13 3.628 -1.121 -1.213
91 HA TYR 13 HA TYR 13 1.928 -0.027 -3.388
92 HB2 TYR 13 2HB TYR 13 4.771 -1.093 -3.309
93 HB3 TYR 13 3HB TYR 13 3.927 -0.784 -4.820
94 HD1 TYR 13 HD1 TYR 13 5.262 0.779 -1.743
95 HD2 TYR 13 HD2 TYR 13 3.618 1.425 -5.653
96 HE1 TYR 13 HE1 TYR 13 5.939 3.153 -1.636
97 HE2 TYR 13 HE2 TYR 13 4.296 3.800 -5.545
98 HH TYR 13 HH TYR 13 5.241 5.389 -4.325
99 H ILE 14 H ILE 14 0.795 -1.219 -4.770
100 HA ILE 14 HA ILE 14 1.025 -4.185 -4.502
101 HB ILE 14 HB ILE 14 -1.286 -4.286 -5.399
102 HG12 ILE 14 2HG1 ILE 14 -1.280 -1.265 -5.241
103 HG13 ILE 14 3HG1 ILE 14 -1.093 -2.174 -6.733
104 HG21 ILE 14 1HG2 ILE 14 -2.437 -3.345 -3.436
105 HG22 ILE 14 2HG2 ILE 14 -0.939 -4.179 -2.961
106 HG23 ILE 14 3HG2 ILE 14 -0.982 -2.402 -3.032
107 HD11 ILE 14 3HD1 ILE 14 -3.486 -2.287 -4.883
108 HD12 ILE 14 1HD1 ILE 14 -3.390 -1.432 -6.439
109 HD13 ILE 14 2HD1 ILE 14 -3.296 -3.208 -6.394
110 H GLY 15 H GLY 15 0.813 -5.479 -6.401
111 HA2 GLY 15 2HA GLY 15 1.345 -6.010 -8.608
112 HA3 GLY 15 3HA GLY 15 1.108 -4.327 -9.042
113 H GLU 16 H GLU 16 2.872 -3.380 -9.836
114 HA GLU 16 HA GLU 16 5.541 -4.359 -9.455
115 HB2 GLU 16 2HB GLU 16 4.873 -2.986 -11.401
116 HB3 GLU 16 3HB GLU 16 4.568 -1.613 -10.346
117 HG2 GLU 16 2HG GLU 16 6.930 -1.510 -9.745
118 HG3 GLU 16 3HG GLU 16 7.261 -2.941 -10.718
119 H LEU 17 H LEU 17 7.165 -3.777 -8.112
120 HA LEU 17 HA LEU 17 6.370 -2.016 -5.833
121 HB2 LEU 17 2HB LEU 17 8.388 -4.287 -5.848
122 HB3 LEU 17 3HB LEU 17 7.907 -3.322 -4.449
123 HG LEU 17 HG LEU 17 6.077 -5.199 -5.987
124 HD11 LEU 17 1HD1 LEU 17 6.277 -6.631 -4.003
125 HD12 LEU 17 2HD1 LEU 17 7.849 -6.393 -4.803
126 HD13 LEU 17 3HD1 LEU 17 7.466 -5.503 -3.310
127 HD21 LEU 17 3HD2 LEU 17 4.918 -3.287 -4.933
128 HD22 LEU 17 1HD2 LEU 17 4.554 -4.807 -4.081
129 HD23 LEU 17 2HD2 LEU 17 5.719 -3.652 -3.386
130 HA PRO 18 HA PRO 18 9.814 0.107 -7.843
131 HB2 PRO 18 2HB PRO 18 8.878 2.659 -7.565
132 HB3 PRO 18 3HB PRO 18 8.272 1.581 -8.829
133 HG2 PRO 18 2HG PRO 18 7.058 2.197 -6.100
134 HG3 PRO 18 3HG PRO 18 6.259 2.193 -7.676
135 HD2 PRO 18 2HD PRO 18 6.130 0.039 -5.998
136 HD3 PRO 18 3HD PRO 18 6.168 -0.156 -7.796
137 H GLN 19 H GLN 19 8.308 0.343 -4.717
138 HA GLN 19 HA GLN 19 10.838 1.445 -3.587
139 HB2 GLN 19 2HB GLN 19 8.008 2.272 -2.830
140 HB3 GLN 19 3HB GLN 19 9.447 2.714 -1.924
141 HG2 GLN 19 2HG GLN 19 8.936 3.445 -4.815
142 HG3 GLN 19 3HG GLN 19 8.651 4.506 -3.405
143 HE21 GLN 19 1HE2 GLN 19 10.621 4.276 -5.877
144 HE22 GLN 19 2HE2 GLN 19 12.140 4.709 -5.168
145 H ASP 20 H ASP 20 7.691 0.002 -2.655
146 HA ASP 20 HA ASP 20 8.911 -1.185 -0.275
147 HB2 ASP 20 2HB ASP 20 6.553 -0.298 -0.332
148 HB3 ASP 20 3HB ASP 20 6.125 -1.605 -1.427
149 H PHE 21 H PHE 21 10.534 -2.409 -1.510
150 HA PHE 21 HA PHE 21 9.679 -4.600 -3.196
151 HB2 PHE 21 2HB PHE 21 12.315 -3.923 -1.848
152 HB3 PHE 21 3HB PHE 21 12.101 -5.358 -2.838
153 HD1 PHE 21 HD2 PHE 21 11.682 -5.163 -5.254
154 HD2 PHE 21 HD1 PHE 21 12.456 -1.735 -2.824
155 HE1 PHE 21 HE2 PHE 21 12.168 -3.838 -7.283
156 HE2 PHE 21 HE1 PHE 21 12.941 -0.406 -4.852
157 HZ PHE 21 HZ PHE 21 12.796 -1.457 -7.081
158 H LEU 22 H LEU 22 9.542 -6.768 -2.780
159 HA LEU 22 HA LEU 22 10.110 -7.845 -0.140
160 HB2 LEU 22 2HB LEU 22 7.983 -6.707 0.328
161 HB3 LEU 22 3HB LEU 22 7.220 -7.539 -1.031
162 HG LEU 22 HG LEU 22 7.631 -9.719 0.167
163 HD11 LEU 22 1HD1 LEU 22 8.165 -9.612 2.560
164 HD12 LEU 22 2HD1 LEU 22 9.495 -8.980 1.561
165 HD13 LEU 22 3HD1 LEU 22 8.419 -7.857 2.426
166 HD21 LEU 22 3HD2 LEU 22 5.458 -8.542 0.233
167 HD22 LEU 22 1HD2 LEU 22 5.794 -9.356 1.779
168 HD23 LEU 22 2HD2 LEU 22 6.012 -7.596 1.635
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