NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
630466 |
6cot   |
30432 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HT1 GLU 1 10.851 3.376 3.385
2 H2 GLU 1 HT2 GLU 1 9.453 2.610 3.978
3 H3 GLU 1 HT3 GLU 1 9.917 4.126 4.590
4 HA GLU 1 HA GLU 1 9.142 5.262 2.857
5 HB2 GLU 1 HB2 GLU 1 8.889 4.213 0.520
6 HB3 GLU 1 HB1 GLU 1 10.575 4.355 1.129
7 HG2 GLU 1 HG2 GLU 1 10.504 1.928 1.856
8 HG3 GLU 1 HG1 GLU 1 8.838 1.792 1.164
9 H MET 2 HN MET 2 6.948 5.694 2.418
10 HA MET 2 HA MET 2 5.180 3.383 2.515
11 HB2 MET 2 HB2 MET 2 5.232 5.692 4.457
12 HB3 MET 2 HB1 MET 2 3.617 5.225 3.821
13 HG2 MET 2 HG2 MET 2 4.023 2.862 4.544
14 HG3 MET 2 HG1 MET 2 5.615 3.345 5.212
15 HE1 MET 2 HE1 MET 2 4.813 2.057 7.266
16 HE2 MET 2 HE2 MET 2 3.136 1.811 6.666
17 HE3 MET 2 HE3 MET 2 3.411 2.482 8.310
18 H ARG 3 HN ARG 3 3.194 3.709 1.378
19 HA ARG 3 HA ARG 3 3.272 6.098 -0.281
20 HB2 ARG 3 HB2 ARG 3 1.821 4.732 -1.905
21 HB3 ARG 3 HB1 ARG 3 3.534 4.214 -1.799
22 HG2 ARG 3 HG2 ARG 3 1.271 2.915 -0.184
23 HG3 ARG 3 HG1 ARG 3 1.770 2.351 -1.811
24 HD2 ARG 3 HD2 ARG 3 4.222 2.524 -0.357
25 HD3 ARG 3 HD1 ARG 3 3.032 1.831 0.826
26 HE ARG 3 HE ARG 3 3.987 0.558 -1.677
27 HH11 ARG 3 HH11 ARG 3 1.479 0.716 0.855
28 HH12 ARG 3 HH12 ARG 3 0.938 -0.913 0.631
29 HH21 ARG 3 HH21 ARG 3 3.247 -1.652 -1.977
30 HH22 ARG 3 HH22 ARG 3 1.959 -2.281 -1.005
31 H ILE 4 HN ILE 4 2.365 5.855 2.372
32 HA ILE 4 HA ILE 4 -0.433 6.545 1.940
33 HB ILE 4 HB ILE 4 -0.038 5.511 4.599
34 HG12 ILE 4 HG12 ILE 4 1.823 4.223 3.292
35 HG13 ILE 4 HG11 ILE 4 0.688 3.294 4.333
36 HG21 ILE 4 HG21 ILE 4 -1.921 3.915 3.727
37 HG22 ILE 4 HG22 ILE 4 -1.765 4.793 2.158
38 HG23 ILE 4 HG23 ILE 4 -2.238 5.690 3.650
39 HD11 ILE 4 HD11 ILE 4 -0.407 2.306 2.495
40 HD12 ILE 4 HD12 ILE 4 1.266 2.484 1.842
41 HD13 ILE 4 HD13 ILE 4 -0.009 3.676 1.386
42 H SER 5 HN SER 5 2.203 7.629 1.983
43 HA SER 5 HA SER 5 1.786 9.785 3.777
44 HB2 SER 5 HB2 SER 5 4.311 8.040 4.117
45 HB3 SER 5 HB1 SER 5 4.105 9.693 4.821
46 HG SER 5 HG SER 5 2.017 8.033 5.383
47 H ARG 6 HN ARG 6 1.734 9.022 1.057
48 HA ARG 6 HA ARG 6 3.459 10.941 0.027
49 HB2 ARG 6 HB2 ARG 6 5.145 9.608 -0.709
50 HB3 ARG 6 HB1 ARG 6 4.370 8.228 0.136
51 HG2 ARG 6 HG2 ARG 6 4.545 7.491 -2.110
52 HG3 ARG 6 HG1 ARG 6 2.842 8.034 -1.960
53 HD2 ARG 6 HD2 ARG 6 3.622 8.992 -4.039
54 HD3 ARG 6 HD1 ARG 6 3.658 10.347 -2.833
55 HE ARG 6 HE ARG 6 6.025 10.331 -2.908
56 HH11 ARG 6 HH11 ARG 6 4.664 7.488 -4.576
57 HH12 ARG 6 HH12 ARG 6 6.167 6.991 -5.277
58 HH21 ARG 6 HH21 ARG 6 8.064 9.651 -3.860
59 HH22 ARG 6 HH22 ARG 6 8.131 8.241 -4.864
60 H ILE 7 HN ILE 7 0.974 8.415 -0.061
61 HA ILE 7 HA ILE 7 -0.041 9.261 -2.630
62 HB ILE 7 HB ILE 7 -0.850 7.443 -0.413
63 HG12 ILE 7 HG12 ILE 7 -0.774 5.784 -1.989
64 HG13 ILE 7 HG11 ILE 7 -1.064 6.936 -3.355
65 HG21 ILE 7 HG21 ILE 7 -2.949 8.602 -0.645
66 HG22 ILE 7 HG22 ILE 7 -3.117 7.044 -1.547
67 HG23 ILE 7 HG23 ILE 7 -2.837 8.579 -2.452
68 HD11 ILE 7 HD11 ILE 7 1.333 7.110 -1.505
69 HD12 ILE 7 HD12 ILE 7 1.090 7.952 -3.084
70 HD13 ILE 7 HD13 ILE 7 1.383 6.164 -3.054
71 H ILE 8 HN ILE 8 0.371 10.248 0.251
72 HA ILE 8 HA ILE 8 -2.140 11.333 0.471
73 HB ILE 8 HB ILE 8 0.124 10.504 2.066
74 HG12 ILE 8 HG12 ILE 8 -2.928 10.429 2.397
75 HG13 ILE 8 HG11 ILE 8 -1.870 9.183 1.634
76 HG21 ILE 8 HG21 ILE 8 -1.716 12.879 2.925
77 HG22 ILE 8 HG22 ILE 8 0.087 12.796 2.972
78 HG23 ILE 8 HG23 ILE 8 -0.892 11.835 4.143
79 HD11 ILE 8 HD11 ILE 8 -1.700 8.200 3.668
80 HD12 ILE 8 HD12 ILE 8 -2.505 9.595 4.484
81 HD13 ILE 8 HD13 ILE 8 -0.725 9.619 4.199
82 H LEU 9 HN LEU 9 -0.228 11.750 -1.367
83 HA LEU 9 HA LEU 9 0.005 14.585 -1.557
84 HB2 LEU 9 HB2 LEU 9 2.348 12.800 -2.210
85 HB3 LEU 9 HB1 LEU 9 2.369 14.584 -1.957
86 HG LEU 9 HG LEU 9 1.928 12.466 0.142
87 HD11 LEU 9 HD11 LEU 9 4.213 12.812 0.875
88 HD12 LEU 9 HD12 LEU 9 4.383 14.312 -0.114
89 HD13 LEU 9 HD13 LEU 9 4.310 12.702 -0.925
90 HD21 LEU 9 HD21 LEU 9 0.942 14.906 0.323
91 HD22 LEU 9 HD22 LEU 9 2.607 15.328 0.850
92 HD23 LEU 9 HD23 LEU 9 1.645 14.085 1.750
93 H DAS 10 HN DAS 10 0.411 11.324 -2.479
94 HA DAS 10 HA DAS 10 0.163 10.310 -4.352
95 HB2 DAS 10 HB2 DAS 10 0.019 12.800 -5.985
96 HB3 DAS 10 HB1 DAS 10 1.551 12.434 -5.140
97 H PHE 11 HN PHE 11 -1.849 12.441 -3.007
98 HA PHE 11 HA PHE 11 -3.989 11.987 -4.941
99 HB2 PHE 11 HB2 PHE 11 -5.460 11.083 -3.316
100 HB3 PHE 11 HB1 PHE 11 -3.879 10.420 -2.749
101 HD1 PHE 11 HD1 PHE 11 -6.672 11.459 -1.352
102 HD2 PHE 11 HD2 PHE 11 -2.649 12.683 -1.639
103 HE1 PHE 11 HE1 PHE 11 -6.846 12.646 0.772
104 HE2 PHE 11 HE2 PHE 11 -2.785 13.831 0.356
105 HZ PHE 11 HZ PHE 11 -4.899 13.861 1.682
106 H LEU 12 HN LEU 12 -1.920 14.078 -3.522
107 HA LEU 12 HA LEU 12 -3.859 15.903 -2.443
108 HB2 LEU 12 HB2 LEU 12 -0.866 15.814 -2.659
109 HB3 LEU 12 HB1 LEU 12 -1.688 17.382 -2.340
110 HG LEU 12 HG LEU 12 -1.811 14.860 -0.744
111 HD11 LEU 12 HD11 LEU 12 -0.390 16.049 0.835
112 HD12 LEU 12 HD12 LEU 12 -0.536 17.575 -0.122
113 HD13 LEU 12 HD13 LEU 12 0.338 16.149 -0.821
114 HD21 LEU 12 HD21 LEU 12 -3.952 15.894 -0.449
115 HD22 LEU 12 HD22 LEU 12 -3.236 17.549 -0.413
116 HD23 LEU 12 HD23 LEU 12 -2.978 16.423 0.976
117 H PHE 13 HN PHE 13 -1.117 15.819 -4.591
118 HA PHE 13 HA PHE 13 -2.081 18.384 -5.629
119 HB2 PHE 13 HB2 PHE 13 -0.178 17.232 -7.466
120 HB3 PHE 13 HB1 PHE 13 0.102 18.616 -6.349
121 HD1 PHE 13 HD1 PHE 13 0.944 15.603 -7.375
122 HD2 PHE 13 HD2 PHE 13 0.451 17.932 -3.903
123 HE1 PHE 13 HE1 PHE 13 2.184 14.014 -6.176
124 HE2 PHE 13 HE2 PHE 13 1.749 16.325 -2.664
125 HZ PHE 13 HZ PHE 13 2.567 14.368 -3.849
126 H LEU 14 HN LEU 14 -2.282 15.086 -5.696
127 HA LEU 14 HA LEU 14 -2.765 14.777 -8.453
128 HB2 LEU 14 HB2 LEU 14 -2.662 13.067 -6.038
129 HB3 LEU 14 HB1 LEU 14 -3.815 12.491 -7.310
130 HG LEU 14 HG LEU 14 -1.275 11.731 -7.367
131 HD11 LEU 14 HD11 LEU 14 -2.353 10.903 -9.221
132 HD12 LEU 14 HD12 LEU 14 -1.501 12.237 -10.091
133 HD13 LEU 14 HD13 LEU 14 -3.211 12.459 -9.546
134 HD21 LEU 14 HD21 LEU 14 0.318 13.167 -8.420
135 HD22 LEU 14 HD22 LEU 14 -0.509 14.222 -7.213
136 HD23 LEU 14 HD23 LEU 14 -0.946 14.337 -8.962
137 H ARG 15 HN ARG 15 -4.375 16.100 -5.915
138 HA ARG 15 HA ARG 15 -7.030 15.535 -6.807
139 HB2 ARG 15 HB2 ARG 15 -5.621 16.157 -4.507
140 HB3 ARG 15 HB1 ARG 15 -6.556 17.636 -4.863
141 HG2 ARG 15 HG2 ARG 15 -8.578 16.653 -4.348
142 HG3 ARG 15 HG1 ARG 15 -8.066 15.028 -4.937
143 HD2 ARG 15 HD2 ARG 15 -8.250 15.674 -2.242
144 HD3 ARG 15 HD1 ARG 15 -7.121 14.429 -2.935
145 HE ARG 15 HE ARG 15 -5.368 15.760 -2.280
146 HH11 ARG 15 HH11 ARG 15 -8.184 17.868 -2.791
147 HH12 ARG 15 HH12 ARG 15 -7.301 19.345 -2.599
148 HH21 ARG 15 HH21 ARG 15 -4.135 17.718 -2.219
149 HH22 ARG 15 HH22 ARG 15 -4.936 19.261 -2.270
150 H LYS 16 HN LYS 16 -4.677 17.976 -6.178
151 HA LYS 16 HA LYS 16 -6.041 20.256 -6.897
152 HB2 LYS 16 HB2 LYS 16 -3.131 19.427 -6.774
153 HB3 LYS 16 HB1 LYS 16 -3.609 21.126 -7.160
154 HG2 LYS 16 HG2 LYS 16 -4.776 21.290 -4.976
155 HG3 LYS 16 HG1 LYS 16 -4.366 19.579 -4.619
156 HD2 LYS 16 HD2 LYS 16 -1.947 20.114 -4.690
157 HD3 LYS 16 HD1 LYS 16 -2.327 21.822 -5.113
158 HE2 LYS 16 HE2 LYS 16 -3.486 22.117 -2.898
159 HE3 LYS 16 HE1 LYS 16 -3.115 20.392 -2.481
160 HZ1 LYS 16 HZ1 LYS 16 -1.163 21.041 -1.788
161 HZ2 LYS 16 HZ2 LYS 16 -1.515 22.657 -2.174
162 HZ3 LYS 16 HZ3 LYS 16 -0.758 21.655 -3.318
163 H LYS 17 HN LYS 17 -3.956 18.027 -8.707
164 HA LYS 17 HA LYS 17 -4.335 19.726 -11.012
165 HB2 LYS 17 HB2 LYS 17 -2.448 17.444 -10.330
166 HB3 LYS 17 HB1 LYS 17 -2.797 17.785 -12.061
167 HG2 LYS 17 HG2 LYS 17 -1.181 19.363 -12.000
168 HG3 LYS 17 HG1 LYS 17 -2.268 20.341 -10.954
169 HD2 LYS 17 HD2 LYS 17 -0.613 18.175 -9.617
170 HD3 LYS 17 HD1 LYS 17 0.253 19.630 -10.215
171 HE2 LYS 17 HE2 LYS 17 -2.284 20.008 -8.538
172 HE3 LYS 17 HE1 LYS 17 -0.736 19.572 -7.715
173 HZ1 LYS 17 HZ1 LYS 17 0.283 21.486 -8.520
174 HZ2 LYS 17 HZ2 LYS 17 -1.254 21.996 -8.010
175 HZ3 LYS 17 HZ3 LYS 17 -0.931 21.799 -9.665
Start of MODEL 2
1 H1 GLU 1 HT1 GLU 1 4.829 2.058 -2.292
2 H2 GLU 1 HT2 GLU 1 6.236 1.106 -2.281
3 H3 GLU 1 HT3 GLU 1 5.759 1.903 -3.703
4 HA GLU 1 HA GLU 1 7.250 2.855 -1.465
5 HB2 GLU 1 HB2 GLU 1 6.746 3.789 -4.345
6 HB3 GLU 1 HB1 GLU 1 7.855 4.655 -3.223
7 HG2 GLU 1 HG2 GLU 1 9.310 2.653 -3.024
8 HG3 GLU 1 HG1 GLU 1 8.165 1.685 -4.033
9 H MET 2 HN MET 2 5.597 3.493 0.117
10 HA MET 2 HA MET 2 4.736 6.176 -0.415
11 HB2 MET 2 HB2 MET 2 2.367 5.518 0.630
12 HB3 MET 2 HB1 MET 2 2.663 5.407 -1.156
13 HG2 MET 2 HG2 MET 2 3.105 3.000 -1.039
14 HG3 MET 2 HG1 MET 2 3.020 3.017 0.745
15 HE1 MET 2 HE1 MET 2 1.415 1.039 0.777
16 HE2 MET 2 HE2 MET 2 1.610 0.981 -1.008
17 HE3 MET 2 HE3 MET 2 -0.029 0.874 -0.280
18 H ARG 3 HN ARG 3 3.770 7.149 1.595
19 HA ARG 3 HA ARG 3 4.958 5.824 3.855
20 HB2 ARG 3 HB2 ARG 3 4.365 8.793 3.618
21 HB3 ARG 3 HB1 ARG 3 5.287 7.981 4.940
22 HG2 ARG 3 HG2 ARG 3 6.106 8.284 1.999
23 HG3 ARG 3 HG1 ARG 3 6.887 9.043 3.434
24 HD2 ARG 3 HD2 ARG 3 6.709 5.985 2.966
25 HD3 ARG 3 HD1 ARG 3 8.156 7.011 2.542
26 HE ARG 3 HE ARG 3 7.551 7.580 5.255
27 HH11 ARG 3 HH11 ARG 3 8.402 4.775 3.234
28 HH12 ARG 3 HH12 ARG 3 9.241 3.928 4.491
29 HH21 ARG 3 HH21 ARG 3 8.690 6.430 6.967
30 HH22 ARG 3 HH22 ARG 3 9.406 4.886 6.650
31 H ILE 4 HN ILE 4 2.210 6.319 2.261
32 HA ILE 4 HA ILE 4 0.047 6.201 2.807
33 HB ILE 4 HB ILE 4 0.447 5.528 5.660
34 HG12 ILE 4 HG12 ILE 4 2.451 4.530 4.788
35 HG13 ILE 4 HG11 ILE 4 1.270 3.230 5.131
36 HG21 ILE 4 HG21 ILE 4 -1.767 5.353 4.608
37 HG22 ILE 4 HG22 ILE 4 -1.186 3.679 4.948
38 HG23 ILE 4 HG23 ILE 4 -1.111 4.336 3.269
39 HD11 ILE 4 HD11 ILE 4 2.645 3.956 2.627
40 HD12 ILE 4 HD12 ILE 4 0.850 3.927 2.393
41 HD13 ILE 4 HD13 ILE 4 1.701 2.462 3.019
42 H SER 5 HN SER 5 1.878 8.286 3.200
43 HA SER 5 HA SER 5 0.143 10.075 4.138
44 HB2 SER 5 HB2 SER 5 2.294 9.314 6.155
45 HB3 SER 5 HB1 SER 5 1.822 11.055 6.015
46 HG SER 5 HG SER 5 -0.059 8.958 6.344
47 H ARG 6 HN ARG 6 1.413 9.358 1.957
48 HA ARG 6 HA ARG 6 3.020 11.618 1.463
49 HB2 ARG 6 HB2 ARG 6 4.951 10.367 1.627
50 HB3 ARG 6 HB1 ARG 6 4.005 8.844 1.663
51 HG2 ARG 6 HG2 ARG 6 5.402 8.848 -0.334
52 HG3 ARG 6 HG1 ARG 6 3.672 8.993 -0.818
53 HD2 ARG 6 HD2 ARG 6 4.838 10.638 -2.160
54 HD3 ARG 6 HD1 ARG 6 4.079 11.587 -0.804
55 HE ARG 6 HE ARG 6 6.691 10.783 0.047
56 HH11 ARG 6 HH11 ARG 6 5.085 12.830 -2.382
57 HH12 ARG 6 HH12 ARG 6 6.352 14.009 -2.454
58 HH21 ARG 6 HH21 ARG 6 8.417 12.385 -0.047
59 HH22 ARG 6 HH22 ARG 6 8.279 13.751 -1.102
60 H ILE 7 HN ILE 7 1.359 8.550 0.547
61 HA ILE 7 HA ILE 7 1.097 9.671 -2.146
62 HB ILE 7 HB ILE 7 -1.051 7.775 -1.601
63 HG12 ILE 7 HG12 ILE 7 0.576 5.788 -1.379
64 HG13 ILE 7 HG11 ILE 7 1.751 7.015 -0.760
65 HG21 ILE 7 HG21 ILE 7 0.035 6.591 -3.554
66 HG22 ILE 7 HG22 ILE 7 1.444 7.711 -3.429
67 HG23 ILE 7 HG23 ILE 7 -0.188 8.356 -3.854
68 HD11 ILE 7 HD11 ILE 7 -0.497 5.815 0.650
69 HD12 ILE 7 HD12 ILE 7 -0.797 7.595 0.447
70 HD13 ILE 7 HD13 ILE 7 0.712 7.016 1.249
71 H ILE 8 HN ILE 8 0.149 10.243 0.839
72 HA ILE 8 HA ILE 8 -2.558 10.677 0.200
73 HB ILE 8 HB ILE 8 -0.890 10.580 2.651
74 HG12 ILE 8 HG12 ILE 8 -3.473 9.175 1.764
75 HG13 ILE 8 HG11 ILE 8 -1.811 8.572 1.476
76 HG21 ILE 8 HG21 ILE 8 -3.327 11.020 3.809
77 HG22 ILE 8 HG22 ILE 8 -3.629 11.946 2.292
78 HG23 ILE 8 HG23 ILE 8 -2.258 12.406 3.373
79 HD11 ILE 8 HD11 ILE 8 -1.878 9.113 4.256
80 HD12 ILE 8 HD12 ILE 8 -1.948 7.493 3.459
81 HD13 ILE 8 HD13 ILE 8 -3.474 8.358 3.894
82 H LEU 9 HN LEU 9 -0.283 11.776 -0.859
83 HA LEU 9 HA LEU 9 -0.824 14.581 -0.811
84 HB2 LEU 9 HB2 LEU 9 1.997 13.491 -0.767
85 HB3 LEU 9 HB1 LEU 9 1.474 15.188 -0.439
86 HG LEU 9 HG LEU 9 0.967 12.770 1.299
87 HD11 LEU 9 HD11 LEU 9 2.772 13.491 2.729
88 HD12 LEU 9 HD12 LEU 9 2.824 15.132 1.983
89 HD13 LEU 9 HD13 LEU 9 3.425 13.706 1.058
90 HD21 LEU 9 HD21 LEU 9 -0.160 14.113 2.824
91 HD22 LEU 9 HD22 LEU 9 -0.624 14.863 1.264
92 HD23 LEU 9 HD23 LEU 9 0.648 15.633 2.270
93 H DAS 10 HN DAS 10 0.755 11.716 -1.757
94 HA DAS 10 HA DAS 10 1.392 10.995 -3.699
95 HB2 DAS 10 HB2 DAS 10 0.945 13.575 -5.108
96 HB3 DAS 10 HB1 DAS 10 2.208 13.518 -3.843
97 H PHE 11 HN PHE 11 -1.495 12.164 -2.859
98 HA PHE 11 HA PHE 11 -2.722 11.523 -5.443
99 HB2 PHE 11 HB2 PHE 11 -4.287 10.047 -4.447
100 HB3 PHE 11 HB1 PHE 11 -2.834 9.739 -3.421
101 HD1 PHE 11 HD1 PHE 11 -6.117 9.872 -3.002
102 HD2 PHE 11 HD2 PHE 11 -2.683 12.019 -1.839
103 HE1 PHE 11 HE1 PHE 11 -7.266 10.696 -1.012
104 HE2 PHE 11 HE2 PHE 11 -3.747 12.836 0.044
105 HZ PHE 11 HZ PHE 11 -6.102 12.197 0.564
106 H LEU 12 HN LEU 12 -1.890 13.855 -3.303
107 HA LEU 12 HA LEU 12 -4.510 14.913 -2.805
108 HB2 LEU 12 HB2 LEU 12 -1.703 15.679 -2.069
109 HB3 LEU 12 HB1 LEU 12 -3.020 16.900 -1.942
110 HG LEU 12 HG LEU 12 -2.821 14.236 -0.607
111 HD11 LEU 12 HD11 LEU 12 -1.224 16.051 0.060
112 HD12 LEU 12 HD12 LEU 12 -2.330 15.533 1.402
113 HD13 LEU 12 HD13 LEU 12 -2.640 17.080 0.520
114 HD21 LEU 12 HD21 LEU 12 -5.175 14.653 -0.976
115 HD22 LEU 12 HD22 LEU 12 -5.004 16.387 -0.505
116 HD23 LEU 12 HD23 LEU 12 -4.836 15.093 0.742
117 H PHE 13 HN PHE 13 -1.385 15.894 -3.975
118 HA PHE 13 HA PHE 13 -2.735 18.240 -5.094
119 HB2 PHE 13 HB2 PHE 13 -0.127 17.939 -6.287
120 HB3 PHE 13 HB1 PHE 13 -0.614 19.156 -5.055
121 HD1 PHE 13 HD1 PHE 13 1.373 16.701 -5.950
122 HD2 PHE 13 HD2 PHE 13 -0.807 18.187 -2.667
123 HE1 PHE 13 HE1 PHE 13 2.638 15.328 -4.534
124 HE2 PHE 13 HE2 PHE 13 0.507 16.799 -1.194
125 HZ PHE 13 HZ PHE 13 2.199 15.372 -2.189
126 H LEU 14 HN LEU 14 -1.891 15.066 -5.437
127 HA LEU 14 HA LEU 14 -1.446 15.076 -8.216
128 HB2 LEU 14 HB2 LEU 14 -1.535 13.099 -6.015
129 HB3 LEU 14 HB1 LEU 14 -2.038 12.445 -7.628
130 HG LEU 14 HG LEU 14 0.517 12.413 -6.910
131 HD11 LEU 14 HD11 LEU 14 0.929 13.273 -9.529
132 HD12 LEU 14 HD12 LEU 14 -0.840 12.903 -9.538
133 HD13 LEU 14 HD13 LEU 14 0.348 11.628 -9.060
134 HD21 LEU 14 HD21 LEU 14 0.419 14.956 -6.354
135 HD22 LEU 14 HD22 LEU 14 0.477 15.229 -8.137
136 HD23 LEU 14 HD23 LEU 14 1.832 14.370 -7.310
137 H ARG 15 HN ARG 15 -4.038 15.473 -6.226
138 HA ARG 15 HA ARG 15 -6.025 14.369 -7.952
139 HB2 ARG 15 HB2 ARG 15 -5.595 15.011 -5.291
140 HB3 ARG 15 HB1 ARG 15 -6.783 16.222 -5.848
141 HG2 ARG 15 HG2 ARG 15 -8.482 14.681 -6.030
142 HG3 ARG 15 HG1 ARG 15 -7.378 13.361 -6.568
143 HD2 ARG 15 HD2 ARG 15 -8.471 13.459 -4.025
144 HD3 ARG 15 HD1 ARG 15 -6.868 12.702 -4.425
145 HE ARG 15 HE ARG 15 -5.875 14.315 -3.128
146 HH11 ARG 15 HH11 ARG 15 -8.913 15.665 -4.385
147 HH12 ARG 15 HH12 ARG 15 -8.619 17.266 -3.795
148 HH21 ARG 15 HH21 ARG 15 -5.373 16.483 -2.508
149 HH22 ARG 15 HH22 ARG 15 -6.552 17.746 -2.697
150 H LYS 16 HN LYS 16 -4.787 17.240 -6.492
151 HA LYS 16 HA LYS 16 -6.505 19.143 -7.488
152 HB2 LYS 16 HB2 LYS 16 -3.641 19.118 -6.532
153 HB3 LYS 16 HB1 LYS 16 -4.454 20.661 -6.998
154 HG2 LYS 16 HG2 LYS 16 -6.173 20.299 -5.257
155 HG3 LYS 16 HG1 LYS 16 -5.453 18.700 -4.854
156 HD2 LYS 16 HD2 LYS 16 -3.341 19.775 -4.176
157 HD3 LYS 16 HD1 LYS 16 -3.972 21.382 -4.675
158 HE2 LYS 16 HE2 LYS 16 -5.273 19.640 -2.470
159 HE3 LYS 16 HE1 LYS 16 -4.068 20.956 -2.148
160 HZ1 LYS 16 HZ1 LYS 16 -5.642 22.442 -2.358
161 HZ2 LYS 16 HZ2 LYS 16 -6.790 21.193 -2.444
162 HZ3 LYS 16 HZ3 LYS 16 -6.141 21.851 -3.869
163 H LYS 17 HN LYS 17 -3.341 17.960 -8.668
164 HA LYS 17 HA LYS 17 -4.169 19.011 -11.217
165 HB2 LYS 17 HB2 LYS 17 -1.589 19.667 -11.558
166 HB3 LYS 17 HB1 LYS 17 -2.756 20.845 -10.871
167 HG2 LYS 17 HG2 LYS 17 -1.368 19.019 -8.902
168 HG3 LYS 17 HG1 LYS 17 -0.348 20.244 -9.724
169 HD2 LYS 17 HD2 LYS 17 -1.453 22.049 -8.736
170 HD3 LYS 17 HD1 LYS 17 -3.004 21.158 -8.565
171 HE2 LYS 17 HE2 LYS 17 -2.277 21.246 -6.312
172 HE3 LYS 17 HE1 LYS 17 -1.582 19.656 -6.829
173 HZ1 LYS 17 HZ1 LYS 17 0.505 20.553 -7.006
174 HZ2 LYS 17 HZ2 LYS 17 -0.113 21.362 -5.646
175 HZ3 LYS 17 HZ3 LYS 17 -0.037 22.155 -7.146
Start of MODEL 3
1 H1 GLU 1 HT1 GLU 1 10.106 4.967 0.957
2 H2 GLU 1 HT2 GLU 1 9.235 6.092 1.885
3 H3 GLU 1 HT3 GLU 1 8.419 5.090 0.781
4 HA GLU 1 HA GLU 1 9.623 3.264 2.259
5 HB2 GLU 1 HB2 GLU 1 8.813 5.555 4.147
6 HB3 GLU 1 HB1 GLU 1 9.319 3.910 4.669
7 HG2 GLU 1 HG2 GLU 1 11.100 5.934 3.142
8 HG3 GLU 1 HG1 GLU 1 11.192 5.557 4.908
9 H MET 2 HN MET 2 6.911 5.661 2.545
10 HA MET 2 HA MET 2 5.127 3.339 2.555
11 HB2 MET 2 HB2 MET 2 5.295 5.565 4.544
12 HB3 MET 2 HB1 MET 2 3.653 5.337 3.849
13 HG2 MET 2 HG2 MET 2 3.601 3.946 5.731
14 HG3 MET 2 HG1 MET 2 3.978 2.801 4.406
15 HE1 MET 2 HE1 MET 2 5.883 1.041 7.149
16 HE2 MET 2 HE2 MET 2 4.977 0.872 5.606
17 HE3 MET 2 HE3 MET 2 4.226 1.726 7.000
18 H ARG 3 HN ARG 3 3.130 3.677 1.422
19 HA ARG 3 HA ARG 3 3.216 6.070 -0.238
20 HB2 ARG 3 HB2 ARG 3 2.436 3.199 -0.851
21 HB3 ARG 3 HB1 ARG 3 1.614 4.545 -1.725
22 HG2 ARG 3 HG2 ARG 3 3.457 3.982 -3.114
23 HG3 ARG 3 HG1 ARG 3 3.949 5.467 -2.222
24 HD2 ARG 3 HD2 ARG 3 5.257 4.086 -0.591
25 HD3 ARG 3 HD1 ARG 3 4.782 2.581 -1.488
26 HE ARG 3 HE ARG 3 6.271 3.194 -3.247
27 HH11 ARG 3 HH11 ARG 3 5.912 5.803 -0.837
28 HH12 ARG 3 HH12 ARG 3 7.229 6.749 -1.446
29 HH21 ARG 3 HH21 ARG 3 8.062 4.481 -4.062
30 HH22 ARG 3 HH22 ARG 3 8.472 5.984 -3.305
31 H ILE 4 HN ILE 4 2.394 5.936 2.300
32 HA ILE 4 HA ILE 4 -0.432 6.549 1.985
33 HB ILE 4 HB ILE 4 0.082 5.470 4.623
34 HG12 ILE 4 HG12 ILE 4 1.847 4.185 3.255
35 HG13 ILE 4 HG11 ILE 4 0.688 3.214 4.227
36 HG21 ILE 4 HG21 ILE 4 -1.882 3.936 3.822
37 HG22 ILE 4 HG22 ILE 4 -1.802 4.854 2.271
38 HG23 ILE 4 HG23 ILE 4 -2.166 5.718 3.812
39 HD11 ILE 4 HD11 ILE 4 -0.353 3.673 1.490
40 HD12 ILE 4 HD12 ILE 4 -0.059 2.117 2.360
41 HD13 ILE 4 HD13 ILE 4 1.284 2.919 1.453
42 H SER 5 HN SER 5 2.214 7.677 2.009
43 HA SER 5 HA SER 5 1.746 9.801 3.812
44 HB2 SER 5 HB2 SER 5 3.968 9.758 4.977
45 HB3 SER 5 HB1 SER 5 3.032 8.272 5.404
46 HG SER 5 HG SER 5 5.103 8.572 3.484
47 H ARG 6 HN ARG 6 1.763 9.043 1.076
48 HA ARG 6 HA ARG 6 3.469 11.010 0.092
49 HB2 ARG 6 HB2 ARG 6 5.186 9.709 -0.622
50 HB3 ARG 6 HB1 ARG 6 4.416 8.308 0.196
51 HG2 ARG 6 HG2 ARG 6 4.645 7.605 -2.059
52 HG3 ARG 6 HG1 ARG 6 2.930 8.107 -1.921
53 HD2 ARG 6 HD2 ARG 6 3.671 9.126 -3.968
54 HD3 ARG 6 HD1 ARG 6 3.746 10.460 -2.740
55 HE ARG 6 HE ARG 6 6.111 10.412 -2.849
56 HH11 ARG 6 HH11 ARG 6 4.677 7.629 -4.559
57 HH12 ARG 6 HH12 ARG 6 6.155 7.136 -5.315
58 HH21 ARG 6 HH21 ARG 6 8.117 9.742 -3.882
59 HH22 ARG 6 HH22 ARG 6 8.143 8.360 -4.925
60 H ILE 7 HN ILE 7 1.023 8.445 -0.064
61 HA ILE 7 HA ILE 7 0.049 9.297 -2.647
62 HB ILE 7 HB ILE 7 -0.852 7.484 -0.442
63 HG12 ILE 7 HG12 ILE 7 -0.672 5.793 -1.978
64 HG13 ILE 7 HG11 ILE 7 -0.854 6.919 -3.383
65 HG21 ILE 7 HG21 ILE 7 -2.945 8.588 -0.838
66 HG22 ILE 7 HG22 ILE 7 -3.023 7.045 -1.773
67 HG23 ILE 7 HG23 ILE 7 -2.689 8.597 -2.629
68 HD11 ILE 7 HD11 ILE 7 1.556 6.147 -2.890
69 HD12 ILE 7 HD12 ILE 7 1.397 7.125 -1.359
70 HD13 ILE 7 HD13 ILE 7 1.269 7.935 -2.969
71 H ILE 8 HN ILE 8 0.379 10.249 0.267
72 HA ILE 8 HA ILE 8 -2.148 11.306 0.451
73 HB ILE 8 HB ILE 8 0.103 10.505 2.084
74 HG12 ILE 8 HG12 ILE 8 -2.954 10.343 2.341
75 HG13 ILE 8 HG11 ILE 8 -1.848 9.136 1.586
76 HG21 ILE 8 HG21 ILE 8 -1.020 11.784 4.148
77 HG22 ILE 8 HG22 ILE 8 -1.812 12.828 2.911
78 HG23 ILE 8 HG23 ILE 8 -0.011 12.772 3.028
79 HD11 ILE 8 HD11 ILE 8 -1.684 8.131 3.609
80 HD12 ILE 8 HD12 ILE 8 -2.566 9.482 4.421
81 HD13 ILE 8 HD13 ILE 8 -0.779 9.578 4.190
82 H LEU 9 HN LEU 9 -0.214 11.778 -1.351
83 HA LEU 9 HA LEU 9 -0.021 14.616 -1.502
84 HB2 LEU 9 HB2 LEU 9 2.362 12.877 -2.136
85 HB3 LEU 9 HB1 LEU 9 2.350 14.659 -1.860
86 HG LEU 9 HG LEU 9 1.910 12.507 0.205
87 HD11 LEU 9 HD11 LEU 9 4.307 12.801 -0.821
88 HD12 LEU 9 HD12 LEU 9 4.176 12.877 0.980
89 HD13 LEU 9 HD13 LEU 9 4.339 14.395 0.021
90 HD21 LEU 9 HD21 LEU 9 0.881 14.926 0.404
91 HD22 LEU 9 HD22 LEU 9 2.529 15.373 0.956
92 HD23 LEU 9 HD23 LEU 9 1.580 14.101 1.831
93 H DAS 10 HN DAS 10 0.458 11.373 -2.454
94 HA DAS 10 HA DAS 10 0.258 10.375 -4.341
95 HB2 DAS 10 HB2 DAS 10 0.099 12.883 -5.945
96 HB3 DAS 10 HB1 DAS 10 1.626 12.527 -5.085
97 H PHE 11 HN PHE 11 -1.811 12.446 -3.003
98 HA PHE 11 HA PHE 11 -3.912 11.988 -4.980
99 HB2 PHE 11 HB2 PHE 11 -5.396 11.044 -3.391
100 HB3 PHE 11 HB1 PHE 11 -3.814 10.399 -2.803
101 HD1 PHE 11 HD1 PHE 11 -6.646 11.380 -1.444
102 HD2 PHE 11 HD2 PHE 11 -2.639 12.668 -1.646
103 HE1 PHE 11 HE1 PHE 11 -6.875 12.537 0.691
104 HE2 PHE 11 HE2 PHE 11 -2.826 13.787 0.362
105 HZ PHE 11 HZ PHE 11 -4.963 13.768 1.650
106 H LEU 12 HN LEU 12 -1.905 14.097 -3.490
107 HA LEU 12 HA LEU 12 -3.895 15.871 -2.425
108 HB2 LEU 12 HB2 LEU 12 -0.898 15.846 -2.599
109 HB3 LEU 12 HB1 LEU 12 -1.759 17.392 -2.266
110 HG LEU 12 HG LEU 12 -1.848 14.842 -0.711
111 HD11 LEU 12 HD11 LEU 12 -0.633 17.574 -0.041
112 HD12 LEU 12 HD12 LEU 12 0.275 16.172 -0.743
113 HD13 LEU 12 HD13 LEU 12 -0.473 16.041 0.905
114 HD21 LEU 12 HD21 LEU 12 -3.073 16.324 1.021
115 HD22 LEU 12 HD22 LEU 12 -4.015 15.850 -0.446
116 HD23 LEU 12 HD23 LEU 12 -3.309 17.506 -0.323
117 H PHE 13 HN PHE 13 -1.129 15.861 -4.538
118 HA PHE 13 HA PHE 13 -2.128 18.420 -5.559
119 HB2 PHE 13 HB2 PHE 13 -0.177 17.321 -7.378
120 HB3 PHE 13 HB1 PHE 13 0.059 18.703 -6.250
121 HD1 PHE 13 HD1 PHE 13 0.983 15.724 -7.290
122 HD2 PHE 13 HD2 PHE 13 0.386 17.998 -3.797
123 HE1 PHE 13 HE1 PHE 13 2.236 14.146 -6.092
124 HE2 PHE 13 HE2 PHE 13 1.698 16.402 -2.558
125 HZ PHE 13 HZ PHE 13 2.577 14.479 -3.754
126 H LEU 14 HN LEU 14 -2.251 15.118 -5.667
127 HA LEU 14 HA LEU 14 -2.686 14.831 -8.434
128 HB2 LEU 14 HB2 LEU 14 -2.589 13.099 -6.036
129 HB3 LEU 14 HB1 LEU 14 -3.713 12.515 -7.330
130 HG LEU 14 HG LEU 14 -1.159 11.802 -7.355
131 HD11 LEU 14 HD11 LEU 14 -3.077 12.511 -9.555
132 HD12 LEU 14 HD12 LEU 14 -2.187 10.970 -9.234
133 HD13 LEU 14 HD13 LEU 14 -1.356 12.333 -10.078
134 HD21 LEU 14 HD21 LEU 14 -0.856 14.434 -8.912
135 HD22 LEU 14 HD22 LEU 14 0.421 13.275 -8.382
136 HD23 LEU 14 HD23 LEU 14 -0.432 14.294 -7.162
137 H ARG 15 HN ARG 15 -4.362 16.065 -5.883
138 HA ARG 15 HA ARG 15 -6.990 15.461 -6.812
139 HB2 ARG 15 HB2 ARG 15 -5.622 16.130 -4.499
140 HB3 ARG 15 HB1 ARG 15 -6.578 17.589 -4.879
141 HG2 ARG 15 HG2 ARG 15 -8.582 16.585 -4.356
142 HG3 ARG 15 HG1 ARG 15 -8.067 14.976 -4.982
143 HD2 ARG 15 HD2 ARG 15 -8.270 15.539 -2.279
144 HD3 ARG 15 HD1 ARG 15 -7.110 14.334 -2.992
145 HE ARG 15 HE ARG 15 -5.395 15.678 -2.266
146 HH11 ARG 15 HH11 ARG 15 -8.232 17.749 -2.814
147 HH12 ARG 15 HH12 ARG 15 -7.379 19.237 -2.568
148 HH21 ARG 15 HH21 ARG 15 -4.199 17.654 -2.135
149 HH22 ARG 15 HH22 ARG 15 -5.024 19.184 -2.172
150 H LYS 16 HN LYS 16 -4.682 17.951 -6.199
151 HA LYS 16 HA LYS 16 -6.081 20.195 -6.953
152 HB2 LYS 16 HB2 LYS 16 -3.166 19.408 -6.848
153 HB3 LYS 16 HB1 LYS 16 -3.665 21.088 -7.284
154 HG2 LYS 16 HG2 LYS 16 -4.819 21.307 -5.088
155 HG3 LYS 16 HG1 LYS 16 -4.361 19.615 -4.678
156 HD2 LYS 16 HD2 LYS 16 -1.963 20.193 -4.842
157 HD3 LYS 16 HD1 LYS 16 -2.388 21.870 -5.330
158 HE2 LYS 16 HE2 LYS 16 -3.481 22.250 -3.092
159 HE3 LYS 16 HE1 LYS 16 -3.066 20.552 -2.609
160 HZ1 LYS 16 HZ1 LYS 16 -0.759 21.812 -3.576
161 HZ2 LYS 16 HZ2 LYS 16 -1.109 21.271 -2.004
162 HZ3 LYS 16 HZ3 LYS 16 -1.499 22.858 -2.462
163 H LYS 17 HN LYS 17 -3.857 18.065 -8.776
164 HA LYS 17 HA LYS 17 -5.140 19.133 -11.120
165 HB2 LYS 17 HB2 LYS 17 -2.717 18.996 -12.267
166 HB3 LYS 17 HB1 LYS 17 -3.273 20.504 -11.467
167 HG2 LYS 17 HG2 LYS 17 -1.847 18.490 -9.717
168 HG3 LYS 17 HG1 LYS 17 -0.862 19.319 -10.967
169 HD2 LYS 17 HD2 LYS 17 -1.117 21.426 -9.988
170 HD3 LYS 17 HD1 LYS 17 -2.704 21.023 -9.252
171 HE2 LYS 17 HE2 LYS 17 -1.286 21.067 -7.345
172 HE3 LYS 17 HE1 LYS 17 -1.251 19.308 -7.774
173 HZ1 LYS 17 HZ1 LYS 17 0.930 20.470 -7.348
174 HZ2 LYS 17 HZ2 LYS 17 0.729 21.234 -8.851
175 HZ3 LYS 17 HZ3 LYS 17 0.817 19.541 -8.766
Start of MODEL 4
1 H1 GLU 1 HT1 GLU 1 8.245 4.697 0.090
2 H2 GLU 1 HT2 GLU 1 9.835 4.126 -0.084
3 H3 GLU 1 HT3 GLU 1 9.519 5.467 0.908
4 HA GLU 1 HA GLU 1 9.399 2.693 1.490
5 HB2 GLU 1 HB2 GLU 1 10.693 4.470 2.753
6 HB3 GLU 1 HB1 GLU 1 9.126 5.197 3.255
7 HG2 GLU 1 HG2 GLU 1 8.523 3.097 4.491
8 HG3 GLU 1 HG1 GLU 1 10.076 2.336 3.966
9 H MET 2 HN MET 2 7.104 5.479 1.874
10 HA MET 2 HA MET 2 5.011 3.465 2.202
11 HB2 MET 2 HB2 MET 2 5.395 6.021 3.851
12 HB3 MET 2 HB1 MET 2 3.819 5.160 3.741
13 HG2 MET 2 HG2 MET 2 4.986 3.062 4.579
14 HG3 MET 2 HG1 MET 2 6.459 4.047 4.852
15 HE1 MET 2 HE1 MET 2 5.470 6.888 6.147
16 HE2 MET 2 HE2 MET 2 6.853 5.745 6.228
17 HE3 MET 2 HE3 MET 2 5.995 6.224 7.732
18 H ARG 3 HN ARG 3 3.082 3.936 1.166
19 HA ARG 3 HA ARG 3 3.079 6.468 -0.268
20 HB2 ARG 3 HB2 ARG 3 1.653 5.195 -2.044
21 HB3 ARG 3 HB1 ARG 3 3.432 4.950 -2.084
22 HG2 ARG 3 HG2 ARG 3 2.883 2.744 -2.127
23 HG3 ARG 3 HG1 ARG 3 2.719 2.950 -0.352
24 HD2 ARG 3 HD2 ARG 3 0.298 3.223 -0.514
25 HD3 ARG 3 HD1 ARG 3 0.373 3.291 -2.327
26 HE ARG 3 HE ARG 3 1.579 0.827 -1.520
27 HH11 ARG 3 HH11 ARG 3 -1.553 2.516 -1.375
28 HH12 ARG 3 HH12 ARG 3 -2.509 1.072 -1.424
29 HH21 ARG 3 HH21 ARG 3 0.282 -1.137 -1.588
30 HH22 ARG 3 HH22 ARG 3 -1.446 -1.041 -1.547
31 H ILE 4 HN ILE 4 2.226 6.141 2.227
32 HA ILE 4 HA ILE 4 -0.594 6.693 1.926
33 HB ILE 4 HB ILE 4 -0.519 5.439 4.364
34 HG12 ILE 4 HG12 ILE 4 1.863 4.637 3.459
35 HG13 ILE 4 HG11 ILE 4 0.806 3.539 4.414
36 HG21 ILE 4 HG21 ILE 4 -1.364 4.445 1.578
37 HG22 ILE 4 HG22 ILE 4 -2.388 5.184 2.865
38 HG23 ILE 4 HG23 ILE 4 -1.736 3.515 3.079
39 HD11 ILE 4 HD11 ILE 4 0.653 3.584 1.348
40 HD12 ILE 4 HD12 ILE 4 0.181 2.266 2.489
41 HD13 ILE 4 HD13 ILE 4 1.926 2.632 2.204
42 H SER 5 HN SER 5 1.984 7.815 2.070
43 HA SER 5 HA SER 5 1.657 9.715 4.116
44 HB2 SER 5 HB2 SER 5 3.967 7.703 4.482
45 HB3 SER 5 HB1 SER 5 3.950 9.342 5.246
46 HG SER 5 HG SER 5 1.661 7.828 5.595
47 H ARG 6 HN ARG 6 1.666 9.421 1.440
48 HA ARG 6 HA ARG 6 3.510 11.249 0.577
49 HB2 ARG 6 HB2 ARG 6 5.212 9.954 -0.233
50 HB3 ARG 6 HB1 ARG 6 4.445 8.541 0.561
51 HG2 ARG 6 HG2 ARG 6 4.646 7.892 -1.723
52 HG3 ARG 6 HG1 ARG 6 2.919 8.368 -1.554
53 HD2 ARG 6 HD2 ARG 6 3.801 9.356 -3.636
54 HD3 ARG 6 HD1 ARG 6 3.567 10.698 -2.432
55 HE ARG 6 HE ARG 6 6.223 9.769 -2.085
56 HH11 ARG 6 HH11 ARG 6 4.186 11.221 -4.620
57 HH12 ARG 6 HH12 ARG 6 5.476 12.096 -5.373
58 HH21 ARG 6 HH21 ARG 6 7.981 10.959 -3.109
59 HH22 ARG 6 HH22 ARG 6 7.670 11.945 -4.499
60 H ILE 7 HN ILE 7 1.211 8.629 0.264
61 HA ILE 7 HA ILE 7 0.252 9.456 -2.229
62 HB ILE 7 HB ILE 7 -0.244 7.512 -0.156
63 HG12 ILE 7 HG12 ILE 7 0.739 6.959 -2.216
64 HG13 ILE 7 HG11 ILE 7 -0.900 6.172 -2.168
65 HG21 ILE 7 HG21 ILE 7 -2.643 7.029 -0.613
66 HG22 ILE 7 HG22 ILE 7 -2.739 8.506 -1.639
67 HG23 ILE 7 HG23 ILE 7 -2.422 8.654 0.136
68 HD11 ILE 7 HD11 ILE 7 -1.421 7.379 -4.056
69 HD12 ILE 7 HD12 ILE 7 0.090 8.367 -3.876
70 HD13 ILE 7 HD13 ILE 7 -1.405 8.830 -2.944
71 H ILE 8 HN ILE 8 0.341 10.602 0.640
72 HA ILE 8 HA ILE 8 -2.328 11.402 0.549
73 HB ILE 8 HB ILE 8 -0.142 10.873 2.352
74 HG12 ILE 8 HG12 ILE 8 -3.147 10.357 2.464
75 HG13 ILE 8 HG11 ILE 8 -1.861 9.288 1.787
76 HG21 ILE 8 HG21 ILE 8 -2.306 13.014 2.983
77 HG22 ILE 8 HG22 ILE 8 -0.525 13.106 3.267
78 HG23 ILE 8 HG23 ILE 8 -1.552 12.057 4.313
79 HD11 ILE 8 HD11 ILE 8 -0.830 9.676 4.292
80 HD12 ILE 8 HD12 ILE 8 -1.949 8.324 3.875
81 HD13 ILE 8 HD13 ILE 8 -2.589 9.816 4.667
82 H LEU 9 HN LEU 9 -0.192 11.953 -1.055
83 HA LEU 9 HA LEU 9 -0.224 14.805 -1.298
84 HB2 LEU 9 HB2 LEU 9 2.302 13.224 -1.744
85 HB3 LEU 9 HB1 LEU 9 2.153 14.999 -1.457
86 HG LEU 9 HG LEU 9 1.671 12.810 0.564
87 HD11 LEU 9 HD11 LEU 9 3.852 13.247 1.502
88 HD12 LEU 9 HD12 LEU 9 4.036 14.780 0.568
89 HD13 LEU 9 HD13 LEU 9 4.121 13.192 -0.284
90 HD21 LEU 9 HD21 LEU 9 1.165 14.399 2.162
91 HD22 LEU 9 HD22 LEU 9 0.527 15.184 0.682
92 HD23 LEU 9 HD23 LEU 9 2.114 15.705 1.345
93 H DAS 10 HN DAS 10 0.514 11.579 -2.139
94 HA DAS 10 HA DAS 10 0.513 10.541 -4.018
95 HB2 DAS 10 HB2 DAS 10 0.283 12.994 -5.690
96 HB3 DAS 10 HB1 DAS 10 1.762 12.791 -4.708
97 H PHE 11 HN PHE 11 -1.783 12.551 -2.889
98 HA PHE 11 HA PHE 11 -3.699 11.885 -4.979
99 HB2 PHE 11 HB2 PHE 11 -5.211 10.840 -3.478
100 HB3 PHE 11 HB1 PHE 11 -3.628 10.330 -2.769
101 HD1 PHE 11 HD1 PHE 11 -6.622 11.122 -1.635
102 HD2 PHE 11 HD2 PHE 11 -2.710 12.685 -1.577
103 HE1 PHE 11 HE1 PHE 11 -7.090 12.306 0.446
104 HE2 PHE 11 HE2 PHE 11 -3.126 13.836 0.378
105 HZ PHE 11 HZ PHE 11 -5.346 13.692 1.507
106 H LEU 12 HN LEU 12 -1.938 14.140 -3.406
107 HA LEU 12 HA LEU 12 -4.097 15.801 -2.493
108 HB2 LEU 12 HB2 LEU 12 -1.100 15.948 -2.474
109 HB3 LEU 12 HB1 LEU 12 -2.061 17.452 -2.241
110 HG LEU 12 HG LEU 12 -2.122 14.937 -0.628
111 HD11 LEU 12 HD11 LEU 12 -0.068 16.373 -0.545
112 HD12 LEU 12 HD12 LEU 12 -0.924 16.249 1.049
113 HD13 LEU 12 HD13 LEU 12 -1.091 17.743 0.048
114 HD21 LEU 12 HD21 LEU 12 -3.740 17.528 -0.406
115 HD22 LEU 12 HD22 LEU 12 -3.534 16.390 0.982
116 HD23 LEU 12 HD23 LEU 12 -4.351 15.835 -0.531
117 H PHE 13 HN PHE 13 -1.200 15.934 -4.421
118 HA PHE 13 HA PHE 13 -2.282 18.404 -5.562
119 HB2 PHE 13 HB2 PHE 13 -0.151 17.393 -7.227
120 HB3 PHE 13 HB1 PHE 13 -0.074 18.810 -6.121
121 HD1 PHE 13 HD1 PHE 13 1.112 15.878 -7.023
122 HD2 PHE 13 HD2 PHE 13 0.120 18.166 -3.627
123 HE1 PHE 13 HE1 PHE 13 2.379 14.404 -5.703
124 HE2 PHE 13 HE2 PHE 13 1.444 16.678 -2.263
125 HZ PHE 13 HZ PHE 13 2.526 14.800 -3.355
126 H LEU 14 HN LEU 14 -2.182 15.095 -5.608
127 HA LEU 14 HA LEU 14 -2.411 14.734 -8.389
128 HB2 LEU 14 HB2 LEU 14 -2.376 13.053 -5.954
129 HB3 LEU 14 HB1 LEU 14 -3.367 12.376 -7.310
130 HG LEU 14 HG LEU 14 -0.779 11.827 -7.141
131 HD11 LEU 14 HD11 LEU 14 -1.595 10.898 -9.074
132 HD12 LEU 14 HD12 LEU 14 -0.830 12.316 -9.889
133 HD13 LEU 14 HD13 LEU 14 -2.589 12.354 -9.471
134 HD21 LEU 14 HD21 LEU 14 -0.526 14.439 -8.741
135 HD22 LEU 14 HD22 LEU 14 0.777 13.381 -8.077
136 HD23 LEU 14 HD23 LEU 14 -0.234 14.373 -6.960
137 H ARG 15 HN ARG 15 -4.341 15.887 -5.980
138 HA ARG 15 HA ARG 15 -6.854 15.100 -7.070
139 HB2 ARG 15 HB2 ARG 15 -5.686 15.891 -4.690
140 HB3 ARG 15 HB1 ARG 15 -6.691 17.289 -5.160
141 HG2 ARG 15 HG2 ARG 15 -8.671 16.184 -4.757
142 HG3 ARG 15 HG1 ARG 15 -8.023 14.592 -5.301
143 HD2 ARG 15 HD2 ARG 15 -8.446 15.209 -2.633
144 HD3 ARG 15 HD1 ARG 15 -7.173 14.056 -3.233
145 HE ARG 15 HE ARG 15 -5.589 15.516 -2.437
146 HH11 ARG 15 HH11 ARG 15 -8.496 17.402 -3.231
147 HH12 ARG 15 HH12 ARG 15 -7.753 18.942 -2.957
148 HH21 ARG 15 HH21 ARG 15 -4.526 17.562 -2.262
149 HH22 ARG 15 HH22 ARG 15 -5.435 19.039 -2.390
150 H LYS 16 HN LYS 16 -4.794 17.762 -6.332
151 HA LYS 16 HA LYS 16 -6.291 19.890 -7.226
152 HB2 LYS 16 HB2 LYS 16 -3.365 19.301 -6.836
153 HB3 LYS 16 HB1 LYS 16 -3.908 20.942 -7.359
154 HG2 LYS 16 HG2 LYS 16 -5.251 21.160 -5.290
155 HG3 LYS 16 HG1 LYS 16 -4.805 19.485 -4.808
156 HD2 LYS 16 HD2 LYS 16 -2.425 20.101 -4.693
157 HD3 LYS 16 HD1 LYS 16 -2.796 21.750 -5.302
158 HE2 LYS 16 HE2 LYS 16 -3.925 20.602 -2.658
159 HE3 LYS 16 HE1 LYS 16 -2.435 21.628 -2.770
160 HZ1 LYS 16 HZ1 LYS 16 -4.588 22.804 -4.191
161 HZ2 LYS 16 HZ2 LYS 16 -3.683 23.405 -2.885
162 HZ3 LYS 16 HZ3 LYS 16 -5.059 22.453 -2.598
163 H LYS 17 HN LYS 17 -3.732 17.959 -8.811
164 HA LYS 17 HA LYS 17 -4.820 18.976 -11.283
165 HB2 LYS 17 HB2 LYS 17 -2.263 18.894 -12.134
166 HB3 LYS 17 HB1 LYS 17 -2.969 20.391 -11.440
167 HG2 LYS 17 HG2 LYS 17 -1.734 18.490 -9.452
168 HG3 LYS 17 HG1 LYS 17 -0.603 19.252 -10.613
169 HD2 LYS 17 HD2 LYS 17 -1.058 21.438 -9.848
170 HD3 LYS 17 HD1 LYS 17 -2.651 20.984 -9.154
171 HE2 LYS 17 HE2 LYS 17 -1.656 19.976 -7.202
172 HE3 LYS 17 HE1 LYS 17 -0.032 19.842 -7.997
173 HZ1 LYS 17 HZ1 LYS 17 0.390 22.025 -7.669
174 HZ2 LYS 17 HZ2 LYS 17 -0.586 21.725 -6.312
175 HZ3 LYS 17 HZ3 LYS 17 -1.240 22.500 -7.674
Start of MODEL 5
1 H1 GLU 1 HT1 GLU 1 9.813 3.173 3.789
2 H2 GLU 1 HT2 GLU 1 10.453 4.743 3.908
3 H3 GLU 1 HT3 GLU 1 11.072 3.658 2.757
4 HA GLU 1 HA GLU 1 9.269 5.528 2.239
5 HB2 GLU 1 HB2 GLU 1 9.634 2.762 0.960
6 HB3 GLU 1 HB1 GLU 1 8.667 4.071 0.191
7 HG2 GLU 1 HG2 GLU 1 10.669 5.542 0.060
8 HG3 GLU 1 HG1 GLU 1 11.663 4.308 0.932
9 H MET 2 HN MET 2 7.067 5.924 2.364
10 HA MET 2 HA MET 2 5.406 3.611 3.044
11 HB2 MET 2 HB2 MET 2 5.744 6.200 4.546
12 HB3 MET 2 HB1 MET 2 4.047 5.671 4.274
13 HG2 MET 2 HG2 MET 2 4.587 3.447 5.295
14 HG3 MET 2 HG1 MET 2 6.268 3.999 5.595
15 HE1 MET 2 HE1 MET 2 4.569 3.688 9.111
16 HE2 MET 2 HE2 MET 2 5.884 3.142 8.013
17 HE3 MET 2 HE3 MET 2 4.173 2.743 7.634
18 H ARG 3 HN ARG 3 3.384 3.591 2.027
19 HA ARG 3 HA ARG 3 2.990 5.791 0.161
20 HB2 ARG 3 HB2 ARG 3 2.309 2.818 0.016
21 HB3 ARG 3 HB1 ARG 3 1.344 4.023 -0.919
22 HG2 ARG 3 HG2 ARG 3 3.027 3.331 -2.438
23 HG3 ARG 3 HG1 ARG 3 3.584 4.919 -1.794
24 HD2 ARG 3 HD2 ARG 3 5.207 3.885 -0.319
25 HD3 ARG 3 HD1 ARG 3 4.519 2.226 -0.612
26 HE ARG 3 HE ARG 3 5.324 3.369 -3.140
27 HH11 ARG 3 HH11 ARG 3 6.614 2.101 -0.071
28 HH12 ARG 3 HH12 ARG 3 8.130 1.596 -0.739
29 HH21 ARG 3 HH21 ARG 3 7.386 2.676 -4.049
30 HH22 ARG 3 HH22 ARG 3 8.576 1.930 -3.035
31 H ILE 4 HN ILE 4 2.597 6.153 2.648
32 HA ILE 4 HA ILE 4 -0.263 6.480 2.891
33 HB ILE 4 HB ILE 4 0.819 5.893 5.488
34 HG12 ILE 4 HG12 ILE 4 2.403 4.495 4.003
35 HG13 ILE 4 HG11 ILE 4 1.578 3.664 5.365
36 HG21 ILE 4 HG21 ILE 4 -1.400 4.757 3.687
37 HG22 ILE 4 HG22 ILE 4 -1.551 5.855 5.111
38 HG23 ILE 4 HG23 ILE 4 -1.107 4.122 5.351
39 HD11 ILE 4 HD11 ILE 4 0.620 2.162 3.927
40 HD12 ILE 4 HD12 ILE 4 1.609 2.897 2.605
41 HD13 ILE 4 HD13 ILE 4 -0.062 3.494 2.916
42 H SER 5 HN SER 5 2.208 7.696 2.158
43 HA SER 5 HA SER 5 1.985 10.085 3.541
44 HB2 SER 5 HB2 SER 5 4.502 8.406 4.129
45 HB3 SER 5 HB1 SER 5 4.474 10.208 4.285
46 HG SER 5 HG SER 5 2.436 8.776 5.536
47 H ARG 6 HN ARG 6 1.689 8.817 1.047
48 HA ARG 6 HA ARG 6 3.423 10.426 -0.439
49 HB2 ARG 6 HB2 ARG 6 4.928 8.816 -0.992
50 HB3 ARG 6 HB1 ARG 6 4.007 7.621 -0.026
51 HG2 ARG 6 HG2 ARG 6 4.067 6.751 -2.262
52 HG3 ARG 6 HG1 ARG 6 2.398 7.385 -2.019
53 HD2 ARG 6 HD2 ARG 6 2.965 8.289 -4.148
54 HD3 ARG 6 HD1 ARG 6 3.419 9.643 -3.026
55 HE ARG 6 HE ARG 6 5.713 9.214 -3.456
56 HH11 ARG 6 HH11 ARG 6 3.631 6.660 -4.822
57 HH12 ARG 6 HH12 ARG 6 4.887 5.926 -5.761
58 HH21 ARG 6 HH21 ARG 6 7.417 8.213 -4.736
59 HH22 ARG 6 HH22 ARG 6 7.075 6.824 -5.711
60 H ILE 7 HN ILE 7 0.742 8.015 -0.033
61 HA ILE 7 HA ILE 7 -0.138 8.847 -2.695
62 HB ILE 7 HB ILE 7 -2.430 7.973 -1.177
63 HG12 ILE 7 HG12 ILE 7 -1.569 5.537 -0.872
64 HG13 ILE 7 HG11 ILE 7 0.076 6.291 -0.810
65 HG21 ILE 7 HG21 ILE 7 -2.222 7.823 -3.623
66 HG22 ILE 7 HG22 ILE 7 -2.442 6.159 -2.960
67 HG23 ILE 7 HG23 ILE 7 -0.806 6.712 -3.484
68 HD11 ILE 7 HD11 ILE 7 -1.683 6.142 1.373
69 HD12 ILE 7 HD12 ILE 7 -1.998 7.808 0.723
70 HD13 ILE 7 HD13 ILE 7 -0.330 7.330 1.206
71 H ILE 8 HN ILE 8 0.341 9.968 0.258
72 HA ILE 8 HA ILE 8 -2.108 11.335 0.505
73 HB ILE 8 HB ILE 8 0.307 10.884 2.194
74 HG12 ILE 8 HG12 ILE 8 -2.689 10.320 2.572
75 HG13 ILE 8 HG11 ILE 8 -1.496 9.176 1.876
76 HG21 ILE 8 HG21 ILE 8 -1.308 12.201 3.985
77 HG22 ILE 8 HG22 ILE 8 -1.868 13.041 2.492
78 HG23 ILE 8 HG23 ILE 8 -0.126 13.100 2.962
79 HD11 ILE 8 HD11 ILE 8 -2.002 9.887 4.723
80 HD12 ILE 8 HD12 ILE 8 -0.257 9.913 4.270
81 HD13 ILE 8 HD13 ILE 8 -1.233 8.417 4.013
82 H LEU 9 HN LEU 9 -0.303 11.491 -1.513
83 HA LEU 9 HA LEU 9 0.201 14.303 -1.811
84 HB2 LEU 9 HB2 LEU 9 2.234 12.120 -2.463
85 HB3 LEU 9 HB1 LEU 9 2.539 13.872 -2.546
86 HG LEU 9 HG LEU 9 2.010 12.198 -0.107
87 HD11 LEU 9 HD11 LEU 9 4.345 12.283 0.392
88 HD12 LEU 9 HD12 LEU 9 4.610 13.748 -0.627
89 HD13 LEU 9 HD13 LEU 9 4.349 12.144 -1.409
90 HD21 LEU 9 HD21 LEU 9 1.210 14.686 -0.150
91 HD22 LEU 9 HD22 LEU 9 2.949 15.098 0.044
92 HD23 LEU 9 HD23 LEU 9 2.107 14.084 1.282
93 H DAS 10 HN DAS 10 0.320 11.027 -2.651
94 HA DAS 10 HA DAS 10 -0.144 10.005 -4.469
95 HB2 DAS 10 HB2 DAS 10 -0.007 12.528 -6.035
96 HB3 DAS 10 HB1 DAS 10 1.467 11.885 -5.285
97 H PHE 11 HN PHE 11 -1.959 12.157 -2.958
98 HA PHE 11 HA PHE 11 -4.272 11.903 -4.755
99 HB2 PHE 11 HB2 PHE 11 -5.606 10.924 -3.037
100 HB3 PHE 11 HB1 PHE 11 -3.993 10.223 -2.627
101 HD1 PHE 11 HD1 PHE 11 -6.627 11.263 -0.928
102 HD2 PHE 11 HD2 PHE 11 -2.640 12.455 -1.595
103 HE1 PHE 11 HE1 PHE 11 -6.607 12.514 1.166
104 HE2 PHE 11 HE2 PHE 11 -2.586 13.663 0.354
105 HZ PHE 11 HZ PHE 11 -4.579 13.736 1.872
106 H LEU 12 HN LEU 12 -2.121 13.970 -3.836
107 HA LEU 12 HA LEU 12 -3.862 15.751 -2.369
108 HB2 LEU 12 HB2 LEU 12 -0.927 15.482 -2.845
109 HB3 LEU 12 HB1 LEU 12 -1.580 17.128 -2.504
110 HG LEU 12 HG LEU 12 -1.748 14.647 -0.863
111 HD11 LEU 12 HD11 LEU 12 0.390 15.948 -1.046
112 HD12 LEU 12 HD12 LEU 12 -0.251 15.790 0.637
113 HD13 LEU 12 HD13 LEU 12 -0.450 17.345 -0.265
114 HD21 LEU 12 HD21 LEU 12 -3.231 17.296 -0.658
115 HD22 LEU 12 HD22 LEU 12 -2.857 16.347 0.838
116 HD23 LEU 12 HD23 LEU 12 -3.862 15.615 -0.480
117 H PHE 13 HN PHE 13 -1.320 15.780 -4.683
118 HA PHE 13 HA PHE 13 -2.465 18.333 -5.751
119 HB2 PHE 13 HB2 PHE 13 -0.227 17.146 -7.318
120 HB3 PHE 13 HB1 PHE 13 -0.265 18.760 -6.500
121 HD1 PHE 13 HD1 PHE 13 0.706 15.503 -6.570
122 HD2 PHE 13 HD2 PHE 13 0.054 18.842 -4.099
123 HE1 PHE 13 HE1 PHE 13 1.683 14.307 -4.786
124 HE2 PHE 13 HE2 PHE 13 1.137 17.679 -2.280
125 HZ PHE 13 HZ PHE 13 1.880 15.432 -2.688
126 H LEU 14 HN LEU 14 -2.573 15.095 -5.711
127 HA LEU 14 HA LEU 14 -2.794 14.721 -8.479
128 HB2 LEU 14 HB2 LEU 14 -2.816 13.054 -6.033
129 HB3 LEU 14 HB1 LEU 14 -3.781 12.403 -7.422
130 HG LEU 14 HG LEU 14 -1.261 11.795 -7.304
131 HD11 LEU 14 HD11 LEU 14 -2.838 12.768 -9.692
132 HD12 LEU 14 HD12 LEU 14 -2.146 11.136 -9.344
133 HD13 LEU 14 HD13 LEU 14 -1.077 12.460 -9.945
134 HD21 LEU 14 HD21 LEU 14 -0.568 14.210 -6.754
135 HD22 LEU 14 HD22 LEU 14 -0.882 14.614 -8.490
136 HD23 LEU 14 HD23 LEU 14 0.389 13.406 -8.060
137 H ARG 15 HN ARG 15 -4.432 16.694 -7.329
138 HA ARG 15 HA ARG 15 -6.983 15.773 -8.125
139 HB2 ARG 15 HB2 ARG 15 -6.140 16.399 -5.405
140 HB3 ARG 15 HB1 ARG 15 -7.739 17.071 -5.914
141 HG2 ARG 15 HG2 ARG 15 -8.717 15.051 -5.651
142 HG3 ARG 15 HG1 ARG 15 -7.530 14.292 -6.778
143 HD2 ARG 15 HD2 ARG 15 -6.955 13.147 -4.816
144 HD3 ARG 15 HD1 ARG 15 -5.909 14.625 -4.597
145 HE ARG 15 HE ARG 15 -8.466 14.064 -3.271
146 HH11 ARG 15 HH11 ARG 15 -5.790 16.323 -3.959
147 HH12 ARG 15 HH12 ARG 15 -6.096 17.340 -2.587
148 HH21 ARG 15 HH21 ARG 15 -8.880 15.463 -1.396
149 HH22 ARG 15 HH22 ARG 15 -7.872 16.841 -1.114
150 H LYS 16 HN LYS 16 -5.120 18.116 -6.351
151 HA LYS 16 HA LYS 16 -6.593 20.376 -7.043
152 HB2 LYS 16 HB2 LYS 16 -3.759 19.879 -6.098
153 HB3 LYS 16 HB1 LYS 16 -4.436 21.539 -6.284
154 HG2 LYS 16 HG2 LYS 16 -6.207 20.989 -4.622
155 HG3 LYS 16 HG1 LYS 16 -5.539 19.325 -4.464
156 HD2 LYS 16 HD2 LYS 16 -3.376 20.251 -3.686
157 HD3 LYS 16 HD1 LYS 16 -4.017 21.921 -3.862
158 HE2 LYS 16 HE2 LYS 16 -5.758 21.446 -2.109
159 HE3 LYS 16 HE1 LYS 16 -5.119 19.757 -1.939
160 HZ1 LYS 16 HZ1 LYS 16 -4.294 21.973 -0.588
161 HZ2 LYS 16 HZ2 LYS 16 -3.067 21.738 -1.738
162 HZ3 LYS 16 HZ3 LYS 16 -3.491 20.480 -0.680
163 H LYS 17 HN LYS 17 -3.752 18.713 -8.351
164 HA LYS 17 HA LYS 17 -3.673 20.764 -10.395
165 HB2 LYS 17 HB2 LYS 17 -1.595 18.917 -9.209
166 HB3 LYS 17 HB1 LYS 17 -1.421 19.356 -10.944
167 HG2 LYS 17 HG2 LYS 17 -0.460 21.304 -10.337
168 HG3 LYS 17 HG1 LYS 17 -2.006 21.806 -9.571
169 HD2 LYS 17 HD2 LYS 17 0.037 20.033 -8.114
170 HD3 LYS 17 HD1 LYS 17 0.154 21.825 -8.108
171 HE2 LYS 17 HE2 LYS 17 -2.543 21.416 -7.404
172 HE3 LYS 17 HE1 LYS 17 -1.717 20.022 -6.594
173 HZ1 LYS 17 HZ1 LYS 17 -1.159 22.924 -6.306
174 HZ2 LYS 17 HZ2 LYS 17 -0.091 21.721 -5.762
175 HZ3 LYS 17 HZ3 LYS 17 -1.664 21.811 -5.127
Start of MODEL 6
1 H1 GLU 1 HT1 GLU 1 10.293 4.923 2.353
2 H2 GLU 1 HT2 GLU 1 10.282 3.583 3.398
3 H3 GLU 1 HT3 GLU 1 9.020 4.717 3.460
4 HA GLU 1 HA GLU 1 9.041 3.941 0.872
5 HB2 GLU 1 HB2 GLU 1 9.549 1.578 2.764
6 HB3 GLU 1 HB1 GLU 1 8.803 1.375 1.139
7 HG2 GLU 1 HG2 GLU 1 10.832 2.254 0.025
8 HG3 GLU 1 HG1 GLU 1 11.583 2.646 1.622
9 H MET 2 HN MET 2 7.195 5.384 1.840
10 HA MET 2 HA MET 2 5.022 3.535 2.491
11 HB2 MET 2 HB2 MET 2 5.595 6.262 3.771
12 HB3 MET 2 HB1 MET 2 3.976 5.480 3.831
13 HG2 MET 2 HG2 MET 2 5.071 3.449 4.894
14 HG3 MET 2 HG1 MET 2 6.604 4.377 4.981
15 HE1 MET 2 HE1 MET 2 5.857 7.372 5.845
16 HE2 MET 2 HE2 MET 2 7.169 6.195 6.195
17 HE3 MET 2 HE3 MET 2 6.302 7.002 7.546
18 H ARG 3 HN ARG 3 3.028 4.035 1.552
19 HA ARG 3 HA ARG 3 3.080 6.326 -0.228
20 HB2 ARG 3 HB2 ARG 3 1.698 4.973 -1.883
21 HB3 ARG 3 HB1 ARG 3 3.402 4.437 -1.757
22 HG2 ARG 3 HG2 ARG 3 1.122 3.129 -0.172
23 HG3 ARG 3 HG1 ARG 3 1.595 2.599 -1.818
24 HD2 ARG 3 HD2 ARG 3 4.055 2.424 -0.755
25 HD3 ARG 3 HD1 ARG 3 3.143 2.361 0.813
26 HE ARG 3 HE ARG 3 2.242 0.251 0.180
27 HH11 ARG 3 HH11 ARG 3 3.997 1.798 -2.512
28 HH12 ARG 3 HH12 ARG 3 4.027 0.381 -3.507
29 HH21 ARG 3 HH21 ARG 3 2.284 -1.671 -1.175
30 HH22 ARG 3 HH22 ARG 3 3.036 -1.622 -2.735
31 H ILE 4 HN ILE 4 2.260 6.072 2.411
32 HA ILE 4 HA ILE 4 -0.552 6.714 2.068
33 HB ILE 4 HB ILE 4 -0.473 5.602 4.579
34 HG12 ILE 4 HG12 ILE 4 1.912 4.765 3.700
35 HG13 ILE 4 HG11 ILE 4 0.867 3.713 4.722
36 HG21 ILE 4 HG21 ILE 4 -1.328 4.466 1.850
37 HG22 ILE 4 HG22 ILE 4 -2.350 5.255 3.111
38 HG23 ILE 4 HG23 ILE 4 -1.683 3.603 3.396
39 HD11 ILE 4 HD11 ILE 4 1.958 2.656 2.597
40 HD12 ILE 4 HD12 ILE 4 0.749 3.610 1.651
41 HD13 ILE 4 HD13 ILE 4 0.193 2.369 2.841
42 H SER 5 HN SER 5 2.083 7.808 2.199
43 HA SER 5 HA SER 5 1.603 9.864 4.059
44 HB2 SER 5 HB2 SER 5 4.015 8.006 4.576
45 HB3 SER 5 HB1 SER 5 3.893 9.686 5.234
46 HG SER 5 HG SER 5 1.687 8.084 5.667
47 H ARG 6 HN ARG 6 1.634 9.350 1.383
48 HA ARG 6 HA ARG 6 3.444 11.214 0.499
49 HB2 ARG 6 HB2 ARG 6 5.201 9.956 -0.206
50 HB3 ARG 6 HB1 ARG 6 4.470 8.559 0.654
51 HG2 ARG 6 HG2 ARG 6 4.763 7.779 -1.557
52 HG3 ARG 6 HG1 ARG 6 3.025 8.224 -1.474
53 HD2 ARG 6 HD2 ARG 6 3.844 9.158 -3.572
54 HD3 ARG 6 HD1 ARG 6 3.737 10.557 -2.420
55 HE ARG 6 HE ARG 6 6.100 10.689 -2.390
56 HH11 ARG 6 HH11 ARG 6 4.997 7.698 -3.989
57 HH12 ARG 6 HH12 ARG 6 6.558 7.270 -4.604
58 HH21 ARG 6 HH21 ARG 6 8.219 10.104 -3.229
59 HH22 ARG 6 HH22 ARG 6 8.419 8.662 -4.164
60 H ILE 7 HN ILE 7 1.025 8.589 0.161
61 HA ILE 7 HA ILE 7 0.137 9.798 -2.344
62 HB ILE 7 HB ILE 7 -1.011 7.498 -0.822
63 HG12 ILE 7 HG12 ILE 7 1.106 6.836 -1.447
64 HG13 ILE 7 HG11 ILE 7 0.113 6.288 -2.857
65 HG21 ILE 7 HG21 ILE 7 -2.800 8.070 -2.158
66 HG22 ILE 7 HG22 ILE 7 -1.854 7.229 -3.449
67 HG23 ILE 7 HG23 ILE 7 -1.772 9.026 -3.287
68 HD11 ILE 7 HD11 ILE 7 2.028 7.542 -3.762
69 HD12 ILE 7 HD12 ILE 7 1.729 8.882 -2.569
70 HD13 ILE 7 HD13 ILE 7 0.556 8.588 -3.895
71 H ILE 8 HN ILE 8 0.409 10.660 0.292
72 HA ILE 8 HA ILE 8 -2.250 11.363 0.505
73 HB ILE 8 HB ILE 8 0.020 10.610 2.092
74 HG12 ILE 8 HG12 ILE 8 -3.029 10.377 2.348
75 HG13 ILE 8 HG11 ILE 8 -1.854 9.173 1.700
76 HG21 ILE 8 HG21 ILE 8 -0.107 12.876 3.067
77 HG22 ILE 8 HG22 ILE 8 -1.011 11.836 4.228
78 HG23 ILE 8 HG23 ILE 8 -1.911 12.873 3.060
79 HD11 ILE 8 HD11 ILE 8 -1.908 8.285 3.806
80 HD12 ILE 8 HD12 ILE 8 -2.596 9.788 4.532
81 HD13 ILE 8 HD13 ILE 8 -0.821 9.657 4.237
82 H LEU 9 HN LEU 9 -0.197 11.912 -1.210
83 HA LEU 9 HA LEU 9 -0.164 14.766 -1.359
84 HB2 LEU 9 HB2 LEU 9 2.378 13.218 -1.848
85 HB3 LEU 9 HB1 LEU 9 2.207 14.984 -1.514
86 HG LEU 9 HG LEU 9 1.743 12.747 0.457
87 HD11 LEU 9 HD11 LEU 9 4.119 14.706 0.456
88 HD12 LEU 9 HD12 LEU 9 4.186 13.113 -0.385
89 HD13 LEU 9 HD13 LEU 9 3.930 13.182 1.403
90 HD21 LEU 9 HD21 LEU 9 2.214 15.607 1.316
91 HD22 LEU 9 HD22 LEU 9 1.218 14.296 2.071
92 HD23 LEU 9 HD23 LEU 9 0.628 15.147 0.607
93 H DAS 10 HN DAS 10 0.633 11.574 -2.291
94 HA DAS 10 HA DAS 10 0.645 10.607 -4.211
95 HB2 DAS 10 HB2 DAS 10 0.343 13.116 -5.784
96 HB3 DAS 10 HB1 DAS 10 1.842 12.897 -4.834
97 H PHE 11 HN PHE 11 -1.685 12.527 -2.990
98 HA PHE 11 HA PHE 11 -3.601 11.859 -5.076
99 HB2 PHE 11 HB2 PHE 11 -5.059 10.728 -3.590
100 HB3 PHE 11 HB1 PHE 11 -3.459 10.278 -2.877
101 HD1 PHE 11 HD1 PHE 11 -6.541 11.116 -1.832
102 HD2 PHE 11 HD2 PHE 11 -2.568 12.490 -1.623
103 HE1 PHE 11 HE1 PHE 11 -7.033 12.306 0.242
104 HE2 PHE 11 HE2 PHE 11 -3.005 13.654 0.334
105 HZ PHE 11 HZ PHE 11 -5.268 13.601 1.379
106 H LEU 12 HN LEU 12 -1.882 14.135 -3.434
107 HA LEU 12 HA LEU 12 -4.103 15.709 -2.507
108 HB2 LEU 12 HB2 LEU 12 -1.110 16.036 -2.473
109 HB3 LEU 12 HB1 LEU 12 -2.190 17.435 -2.145
110 HG LEU 12 HG LEU 12 -2.071 14.829 -0.684
111 HD11 LEU 12 HD11 LEU 12 -1.121 17.635 0.106
112 HD12 LEU 12 HD12 LEU 12 -0.070 16.320 -0.564
113 HD13 LEU 12 HD13 LEU 12 -0.888 16.104 1.040
114 HD21 LEU 12 HD21 LEU 12 -3.518 16.086 1.025
115 HD22 LEU 12 HD22 LEU 12 -4.337 15.676 -0.532
116 HD23 LEU 12 HD23 LEU 12 -3.753 17.358 -0.237
117 H PHE 13 HN PHE 13 -1.202 15.959 -4.425
118 HA PHE 13 HA PHE 13 -2.346 18.439 -5.485
119 HB2 PHE 13 HB2 PHE 13 -0.199 17.535 -7.188
120 HB3 PHE 13 HB1 PHE 13 -0.154 18.918 -6.036
121 HD1 PHE 13 HD1 PHE 13 1.083 16.040 -7.036
122 HD2 PHE 13 HD2 PHE 13 0.083 18.216 -3.574
123 HE1 PHE 13 HE1 PHE 13 2.393 14.562 -5.775
124 HE2 PHE 13 HE2 PHE 13 1.453 16.727 -2.265
125 HZ PHE 13 HZ PHE 13 2.561 14.895 -3.415
126 H LEU 14 HN LEU 14 -2.176 15.140 -5.633
127 HA LEU 14 HA LEU 14 -2.412 14.856 -8.422
128 HB2 LEU 14 HB2 LEU 14 -2.323 13.101 -6.040
129 HB3 LEU 14 HB1 LEU 14 -3.310 12.447 -7.410
130 HG LEU 14 HG LEU 14 -0.708 11.951 -7.273
131 HD11 LEU 14 HD11 LEU 14 -1.529 11.055 -9.220
132 HD12 LEU 14 HD12 LEU 14 -0.786 12.502 -10.004
133 HD13 LEU 14 HD13 LEU 14 -2.544 12.506 -9.578
134 HD21 LEU 14 HD21 LEU 14 -0.532 14.615 -8.796
135 HD22 LEU 14 HD22 LEU 14 0.804 13.563 -8.188
136 HD23 LEU 14 HD23 LEU 14 -0.210 14.497 -7.023
137 H ARG 15 HN ARG 15 -4.344 15.906 -5.972
138 HA ARG 15 HA ARG 15 -6.848 15.099 -7.074
139 HB2 ARG 15 HB2 ARG 15 -5.689 15.839 -4.669
140 HB3 ARG 15 HB1 ARG 15 -6.735 17.222 -5.093
141 HG2 ARG 15 HG2 ARG 15 -8.679 16.053 -4.711
142 HG3 ARG 15 HG1 ARG 15 -7.997 14.500 -5.323
143 HD2 ARG 15 HD2 ARG 15 -8.415 14.995 -2.631
144 HD3 ARG 15 HD1 ARG 15 -7.114 13.905 -3.284
145 HE ARG 15 HE ARG 15 -5.572 15.370 -2.425
146 HH11 ARG 15 HH11 ARG 15 -8.519 17.219 -3.158
147 HH12 ARG 15 HH12 ARG 15 -7.808 18.764 -2.833
148 HH21 ARG 15 HH21 ARG 15 -4.553 17.431 -2.178
149 HH22 ARG 15 HH22 ARG 15 -5.493 18.891 -2.261
150 H LYS 16 HN LYS 16 -4.809 17.768 -6.281
151 HA LYS 16 HA LYS 16 -6.346 19.895 -7.102
152 HB2 LYS 16 HB2 LYS 16 -3.387 19.360 -6.810
153 HB3 LYS 16 HB1 LYS 16 -4.001 20.999 -7.256
154 HG2 LYS 16 HG2 LYS 16 -5.309 21.080 -5.141
155 HG3 LYS 16 HG1 LYS 16 -4.739 19.425 -4.722
156 HD2 LYS 16 HD2 LYS 16 -2.392 20.203 -4.718
157 HD3 LYS 16 HD1 LYS 16 -2.923 21.850 -5.210
158 HE2 LYS 16 HE2 LYS 16 -4.190 22.092 -3.045
159 HE3 LYS 16 HE1 LYS 16 -3.663 20.426 -2.558
160 HZ1 LYS 16 HZ1 LYS 16 -2.316 22.845 -2.258
161 HZ2 LYS 16 HZ2 LYS 16 -1.420 21.912 -3.358
162 HZ3 LYS 16 HZ3 LYS 16 -1.806 21.284 -1.828
163 H LYS 17 HN LYS 17 -3.822 18.006 -8.792
164 HA LYS 17 HA LYS 17 -5.032 18.998 -11.208
165 HB2 LYS 17 HB2 LYS 17 -2.531 19.097 -12.182
166 HB3 LYS 17 HB1 LYS 17 -3.276 20.534 -11.407
167 HG2 LYS 17 HG2 LYS 17 -1.805 18.630 -9.577
168 HG3 LYS 17 HG1 LYS 17 -0.809 19.554 -10.747
169 HD2 LYS 17 HD2 LYS 17 -1.311 21.620 -9.777
170 HD3 LYS 17 HD1 LYS 17 -2.907 21.075 -9.160
171 HE2 LYS 17 HE2 LYS 17 -1.648 21.207 -7.153
172 HE3 LYS 17 HE1 LYS 17 -1.415 19.468 -7.595
173 HZ1 LYS 17 HZ1 LYS 17 0.446 21.603 -8.480
174 HZ2 LYS 17 HZ2 LYS 17 0.688 19.923 -8.444
175 HZ3 LYS 17 HZ3 LYS 17 0.610 20.802 -6.993
Start of MODEL 7
1 H1 GLU 1 HT1 GLU 1 9.390 5.536 0.532
2 H2 GLU 1 HT2 GLU 1 8.164 4.678 -0.272
3 H3 GLU 1 HT3 GLU 1 9.786 4.201 -0.439
4 HA GLU 1 HA GLU 1 9.353 2.739 1.125
5 HB2 GLU 1 HB2 GLU 1 9.231 5.266 2.873
6 HB3 GLU 1 HB1 GLU 1 9.567 3.604 3.474
7 HG2 GLU 1 HG2 GLU 1 11.661 3.518 2.072
8 HG3 GLU 1 HG1 GLU 1 11.334 5.201 1.495
9 H MET 2 HN MET 2 7.116 5.556 1.669
10 HA MET 2 HA MET 2 5.036 3.547 2.133
11 HB2 MET 2 HB2 MET 2 5.469 6.167 3.671
12 HB3 MET 2 HB1 MET 2 3.922 5.251 3.692
13 HG2 MET 2 HG2 MET 2 5.041 3.285 4.663
14 HG3 MET 2 HG1 MET 2 6.638 4.093 4.548
15 HE1 MET 2 HE1 MET 2 3.118 4.777 7.425
16 HE2 MET 2 HE2 MET 2 3.234 3.782 5.933
17 HE3 MET 2 HE3 MET 2 2.992 5.558 5.812
18 H ARG 3 HN ARG 3 3.051 3.996 1.203
19 HA ARG 3 HA ARG 3 2.953 6.493 -0.285
20 HB2 ARG 3 HB2 ARG 3 1.491 5.153 -1.986
21 HB3 ARG 3 HB1 ARG 3 3.272 4.962 -2.091
22 HG2 ARG 3 HG2 ARG 3 2.785 2.739 -2.080
23 HG3 ARG 3 HG1 ARG 3 2.691 2.971 -0.302
24 HD2 ARG 3 HD2 ARG 3 0.247 3.210 -0.388
25 HD3 ARG 3 HD1 ARG 3 0.265 3.172 -2.203
26 HE ARG 3 HE ARG 3 1.563 0.794 -1.298
27 HH11 ARG 3 HH11 ARG 3 -1.605 2.407 -1.136
28 HH12 ARG 3 HH12 ARG 3 -2.523 0.941 -1.060
29 HH21 ARG 3 HH21 ARG 3 0.319 -1.205 -1.197
30 HH22 ARG 3 HH22 ARG 3 -1.409 -1.150 -1.096
31 H ILE 4 HN ILE 4 2.187 6.181 2.249
32 HA ILE 4 HA ILE 4 -0.647 6.679 2.026
33 HB ILE 4 HB ILE 4 -0.530 5.410 4.440
34 HG12 ILE 4 HG12 ILE 4 1.883 4.692 3.525
35 HG13 ILE 4 HG11 ILE 4 0.871 3.570 4.504
36 HG21 ILE 4 HG21 ILE 4 -1.686 3.451 3.167
37 HG22 ILE 4 HG22 ILE 4 -1.325 4.368 1.654
38 HG23 ILE 4 HG23 ILE 4 -2.381 5.098 2.922
39 HD11 ILE 4 HD11 ILE 4 1.998 2.649 2.319
40 HD12 ILE 4 HD12 ILE 4 0.726 3.576 1.435
41 HD13 ILE 4 HD13 ILE 4 0.256 2.266 2.585
42 H SER 5 HN SER 5 1.930 7.839 2.140
43 HA SER 5 HA SER 5 1.603 9.713 4.195
44 HB2 SER 5 HB2 SER 5 2.656 7.804 5.627
45 HB3 SER 5 HB1 SER 5 4.105 7.947 4.555
46 HG SER 5 HG SER 5 4.256 10.113 5.184
47 H ARG 6 HN ARG 6 1.621 9.502 1.548
48 HA ARG 6 HA ARG 6 3.447 11.333 0.720
49 HB2 ARG 6 HB2 ARG 6 5.194 10.107 -0.124
50 HB3 ARG 6 HB1 ARG 6 4.500 8.676 0.709
51 HG2 ARG 6 HG2 ARG 6 4.687 7.976 -1.555
52 HG3 ARG 6 HG1 ARG 6 2.950 8.419 -1.397
53 HD2 ARG 6 HD2 ARG 6 3.721 9.418 -3.482
54 HD3 ARG 6 HD1 ARG 6 3.618 10.775 -2.283
55 HE ARG 6 HE ARG 6 5.982 10.942 -2.294
56 HH11 ARG 6 HH11 ARG 6 4.883 8.006 -3.995
57 HH12 ARG 6 HH12 ARG 6 6.436 7.629 -4.663
58 HH21 ARG 6 HH21 ARG 6 8.087 10.427 -3.205
59 HH22 ARG 6 HH22 ARG 6 8.287 9.028 -4.206
60 H ILE 7 HN ILE 7 1.206 8.675 0.360
61 HA ILE 7 HA ILE 7 0.286 9.477 -2.153
62 HB ILE 7 HB ILE 7 -0.222 7.537 -0.083
63 HG12 ILE 7 HG12 ILE 7 0.807 6.998 -2.123
64 HG13 ILE 7 HG11 ILE 7 -0.817 6.179 -2.096
65 HG21 ILE 7 HG21 ILE 7 -2.604 7.017 -0.580
66 HG22 ILE 7 HG22 ILE 7 -2.704 8.488 -1.614
67 HG23 ILE 7 HG23 ILE 7 -2.422 8.649 0.165
68 HD11 ILE 7 HD11 ILE 7 -1.358 8.826 -2.894
69 HD12 ILE 7 HD12 ILE 7 -1.328 7.361 -4.001
70 HD13 ILE 7 HD13 ILE 7 0.153 8.387 -3.799
71 H ILE 8 HN ILE 8 0.293 10.624 0.719
72 HA ILE 8 HA ILE 8 -2.382 11.390 0.570
73 HB ILE 8 HB ILE 8 -0.219 10.909 2.417
74 HG12 ILE 8 HG12 ILE 8 -3.213 10.330 2.487
75 HG13 ILE 8 HG11 ILE 8 -1.898 9.289 1.820
76 HG21 ILE 8 HG21 ILE 8 -2.437 13.008 2.992
77 HG22 ILE 8 HG22 ILE 8 -0.667 13.135 3.320
78 HG23 ILE 8 HG23 ILE 8 -1.700 12.070 4.345
79 HD11 ILE 8 HD11 ILE 8 -0.889 9.666 4.326
80 HD12 ILE 8 HD12 ILE 8 -2.013 8.318 3.911
81 HD13 ILE 8 HD13 ILE 8 -2.648 9.813 4.702
82 H LEU 9 HN LEU 9 -0.228 11.969 -1.000
83 HA LEU 9 HA LEU 9 -0.292 14.817 -1.255
84 HB2 LEU 9 HB2 LEU 9 2.266 13.275 -1.638
85 HB3 LEU 9 HB1 LEU 9 2.084 15.049 -1.363
86 HG LEU 9 HG LEU 9 1.593 12.862 0.658
87 HD11 LEU 9 HD11 LEU 9 4.054 13.283 -0.148
88 HD12 LEU 9 HD12 LEU 9 3.750 13.333 1.633
89 HD13 LEU 9 HD13 LEU 9 3.927 14.869 0.702
90 HD21 LEU 9 HD21 LEU 9 0.408 15.214 0.744
91 HD22 LEU 9 HD22 LEU 9 1.975 15.771 1.426
92 HD23 LEU 9 HD23 LEU 9 1.038 14.453 2.239
93 H DAS 10 HN DAS 10 0.512 11.599 -2.066
94 HA DAS 10 HA DAS 10 0.561 10.553 -3.938
95 HB2 DAS 10 HB2 DAS 10 0.348 13.009 -5.614
96 HB3 DAS 10 HB1 DAS 10 1.815 12.791 -4.616
97 H PHE 11 HN PHE 11 -1.782 12.532 -2.866
98 HA PHE 11 HA PHE 11 -3.646 11.832 -4.994
99 HB2 PHE 11 HB2 PHE 11 -5.172 10.774 -3.519
100 HB3 PHE 11 HB1 PHE 11 -3.597 10.291 -2.776
101 HD1 PHE 11 HD1 PHE 11 -6.623 11.038 -1.706
102 HD2 PHE 11 HD2 PHE 11 -2.739 12.667 -1.579
103 HE1 PHE 11 HE1 PHE 11 -7.149 12.220 0.364
104 HE2 PHE 11 HE2 PHE 11 -3.211 13.816 0.365
105 HZ PHE 11 HZ PHE 11 -5.449 13.638 1.452
106 H LEU 12 HN LEU 12 -1.946 14.118 -3.398
107 HA LEU 12 HA LEU 12 -4.147 15.758 -2.547
108 HB2 LEU 12 HB2 LEU 12 -1.153 15.948 -2.454
109 HB3 LEU 12 HB1 LEU 12 -2.144 17.435 -2.243
110 HG LEU 12 HG LEU 12 -2.195 14.921 -0.630
111 HD11 LEU 12 HD11 LEU 12 -1.065 16.265 1.072
112 HD12 LEU 12 HD12 LEU 12 -1.234 17.749 0.055
113 HD13 LEU 12 HD13 LEU 12 -0.172 16.389 -0.499
114 HD21 LEU 12 HD21 LEU 12 -3.675 16.326 0.946
115 HD22 LEU 12 HD22 LEU 12 -4.445 15.784 -0.596
116 HD23 LEU 12 HD23 LEU 12 -3.861 17.484 -0.428
117 H PHE 13 HN PHE 13 -1.201 15.915 -4.401
118 HA PHE 13 HA PHE 13 -2.265 18.376 -5.582
119 HB2 PHE 13 HB2 PHE 13 -0.095 17.354 -7.197
120 HB3 PHE 13 HB1 PHE 13 -0.044 18.780 -6.103
121 HD1 PHE 13 HD1 PHE 13 1.174 15.854 -6.954
122 HD2 PHE 13 HD2 PHE 13 0.082 18.166 -3.611
123 HE1 PHE 13 HE1 PHE 13 2.418 14.405 -5.590
124 HE2 PHE 13 HE2 PHE 13 1.379 16.712 -2.203
125 HZ PHE 13 HZ PHE 13 2.505 14.825 -3.243
126 H LEU 14 HN LEU 14 -2.166 15.072 -5.606
127 HA LEU 14 HA LEU 14 -2.337 14.694 -8.390
128 HB2 LEU 14 HB2 LEU 14 -2.326 13.024 -5.946
129 HB3 LEU 14 HB1 LEU 14 -3.286 12.331 -7.316
130 HG LEU 14 HG LEU 14 -0.695 11.813 -7.098
131 HD11 LEU 14 HD11 LEU 14 -0.687 12.271 -9.843
132 HD12 LEU 14 HD12 LEU 14 -2.456 12.330 -9.474
133 HD13 LEU 14 HD13 LEU 14 -1.489 10.868 -9.037
134 HD21 LEU 14 HD21 LEU 14 -0.452 14.432 -8.688
135 HD22 LEU 14 HD22 LEU 14 0.858 13.381 -8.027
136 HD23 LEU 14 HD23 LEU 14 -0.170 14.354 -6.908
137 H ARG 15 HN ARG 15 -4.310 15.861 -6.025
138 HA ARG 15 HA ARG 15 -6.798 15.050 -7.165
139 HB2 ARG 15 HB2 ARG 15 -5.693 15.820 -4.747
140 HB3 ARG 15 HB1 ARG 15 -6.707 17.210 -5.222
141 HG2 ARG 15 HG2 ARG 15 -8.680 16.072 -4.884
142 HG3 ARG 15 HG1 ARG 15 -7.995 14.494 -5.427
143 HD2 ARG 15 HD2 ARG 15 -8.492 15.081 -2.765
144 HD3 ARG 15 HD1 ARG 15 -7.190 13.951 -3.343
145 HE ARG 15 HE ARG 15 -5.646 15.424 -2.497
146 HH11 ARG 15 HH11 ARG 15 -8.564 17.280 -3.324
147 HH12 ARG 15 HH12 ARG 15 -7.843 18.828 -3.031
148 HH21 ARG 15 HH21 ARG 15 -4.610 17.481 -2.298
149 HH22 ARG 15 HH22 ARG 15 -5.535 18.946 -2.430
150 H LYS 16 HN LYS 16 -4.778 17.721 -6.340
151 HA LYS 16 HA LYS 16 -6.280 19.843 -7.245
152 HB2 LYS 16 HB2 LYS 16 -3.336 19.306 -6.817
153 HB3 LYS 16 HB1 LYS 16 -3.932 20.944 -7.288
154 HG2 LYS 16 HG2 LYS 16 -5.320 21.034 -5.228
155 HG3 LYS 16 HG1 LYS 16 -4.789 19.373 -4.788
156 HD2 LYS 16 HD2 LYS 16 -2.433 20.127 -4.669
157 HD3 LYS 16 HD1 LYS 16 -2.926 21.783 -5.172
158 HE2 LYS 16 HE2 LYS 16 -4.294 22.019 -3.071
159 HE3 LYS 16 HE1 LYS 16 -3.808 20.344 -2.573
160 HZ1 LYS 16 HZ1 LYS 16 -2.205 22.805 -2.735
161 HZ2 LYS 16 HZ2 LYS 16 -1.443 21.302 -2.936
162 HZ3 LYS 16 HZ3 LYS 16 -2.300 21.634 -1.509
163 H LYS 17 HN LYS 17 -3.709 17.906 -8.768
164 HA LYS 17 HA LYS 17 -4.540 19.166 -11.252
165 HB2 LYS 17 HB2 LYS 17 -1.702 18.118 -10.859
166 HB3 LYS 17 HB1 LYS 17 -2.305 19.252 -12.117
167 HG2 LYS 17 HG2 LYS 17 -1.564 20.966 -10.851
168 HG3 LYS 17 HG1 LYS 17 -2.831 20.573 -9.644
169 HD2 LYS 17 HD2 LYS 17 -0.871 18.702 -9.008
170 HD3 LYS 17 HD1 LYS 17 0.130 20.075 -9.589
171 HE2 LYS 17 HE2 LYS 17 -1.845 21.274 -7.889
172 HE3 LYS 17 HE1 LYS 17 -1.328 19.767 -7.028
173 HZ1 LYS 17 HZ1 LYS 17 0.407 21.956 -8.058
174 HZ2 LYS 17 HZ2 LYS 17 0.983 20.493 -7.420
175 HZ3 LYS 17 HZ3 LYS 17 0.088 21.552 -6.441
Start of MODEL 8
1 H1 GLU 1 HT1 GLU 1 9.996 5.928 2.902
2 H2 GLU 1 HT2 GLU 1 8.380 5.739 3.389
3 H3 GLU 1 HT3 GLU 1 8.743 6.564 1.950
4 HA GLU 1 HA GLU 1 9.200 4.708 0.791
5 HB2 GLU 1 HB2 GLU 1 9.891 2.534 1.821
6 HB3 GLU 1 HB1 GLU 1 10.969 3.882 2.324
7 HG2 GLU 1 HG2 GLU 1 9.676 4.087 4.497
8 HG3 GLU 1 HG1 GLU 1 8.663 2.674 4.000
9 H MET 2 HN MET 2 6.684 5.767 2.138
10 HA MET 2 HA MET 2 5.151 3.298 1.792
11 HB2 MET 2 HB2 MET 2 4.854 5.424 3.967
12 HB3 MET 2 HB1 MET 2 3.457 4.417 3.452
13 HG2 MET 2 HG2 MET 2 6.129 3.314 4.487
14 HG3 MET 2 HG1 MET 2 4.670 3.563 5.495
15 HE1 MET 2 HE1 MET 2 5.065 -0.302 5.228
16 HE2 MET 2 HE2 MET 2 4.912 1.132 6.302
17 HE3 MET 2 HE3 MET 2 6.354 0.952 5.243
18 H ARG 3 HN ARG 3 3.091 3.585 0.804
19 HA ARG 3 HA ARG 3 2.876 6.188 -0.478
20 HB2 ARG 3 HB2 ARG 3 2.211 3.399 -1.443
21 HB3 ARG 3 HB1 ARG 3 1.269 4.809 -2.060
22 HG2 ARG 3 HG2 ARG 3 3.049 4.544 -3.620
23 HG3 ARG 3 HG1 ARG 3 3.505 5.932 -2.564
24 HD2 ARG 3 HD2 ARG 3 5.115 4.618 -1.324
25 HD3 ARG 3 HD1 ARG 3 4.502 3.059 -2.034
26 HE ARG 3 HE ARG 3 5.340 4.738 -4.203
27 HH11 ARG 3 HH11 ARG 3 6.643 3.045 -1.353
28 HH12 ARG 3 HH12 ARG 3 8.207 2.767 -2.041
29 HH21 ARG 3 HH21 ARG 3 7.470 4.359 -5.141
30 HH22 ARG 3 HH22 ARG 3 8.686 3.528 -4.230
31 H ILE 4 HN ILE 4 2.253 5.934 1.990
32 HA ILE 4 HA ILE 4 -0.537 6.583 1.973
33 HB ILE 4 HB ILE 4 0.489 4.738 4.139
34 HG12 ILE 4 HG12 ILE 4 -1.056 3.024 2.797
35 HG13 ILE 4 HG11 ILE 4 -0.629 4.089 1.423
36 HG21 ILE 4 HG21 ILE 4 -2.181 5.934 3.237
37 HG22 ILE 4 HG22 ILE 4 -1.471 5.829 4.893
38 HG23 ILE 4 HG23 ILE 4 -2.184 4.363 4.122
39 HD11 ILE 4 HD11 ILE 4 1.840 3.583 2.729
40 HD12 ILE 4 HD12 ILE 4 1.266 2.932 1.148
41 HD13 ILE 4 HD13 ILE 4 0.988 1.991 2.671
42 H SER 5 HN SER 5 2.105 7.573 1.951
43 HA SER 5 HA SER 5 1.929 9.332 4.105
44 HB2 SER 5 HB2 SER 5 3.052 7.314 5.330
45 HB3 SER 5 HB1 SER 5 4.446 7.567 4.207
46 HG SER 5 HG SER 5 4.593 9.683 5.002
47 H ARG 6 HN ARG 6 1.801 9.294 1.445
48 HA ARG 6 HA ARG 6 3.575 11.171 0.620
49 HB2 ARG 6 HB2 ARG 6 5.284 10.027 -0.398
50 HB3 ARG 6 HB1 ARG 6 4.694 8.563 0.457
51 HG2 ARG 6 HG2 ARG 6 4.730 7.881 -1.808
52 HG3 ARG 6 HG1 ARG 6 3.002 8.311 -1.550
53 HD2 ARG 6 HD2 ARG 6 3.655 9.330 -3.667
54 HD3 ARG 6 HD1 ARG 6 3.598 10.676 -2.451
55 HE ARG 6 HE ARG 6 5.955 10.869 -2.578
56 HH11 ARG 6 HH11 ARG 6 4.807 7.930 -4.241
57 HH12 ARG 6 HH12 ARG 6 6.327 7.575 -4.990
58 HH21 ARG 6 HH21 ARG 6 8.020 10.384 -3.599
59 HH22 ARG 6 HH22 ARG 6 8.184 8.993 -4.618
60 H ILE 7 HN ILE 7 1.334 8.529 0.266
61 HA ILE 7 HA ILE 7 0.304 9.390 -2.184
62 HB ILE 7 HB ILE 7 -0.112 7.407 -0.126
63 HG12 ILE 7 HG12 ILE 7 0.841 6.882 -2.202
64 HG13 ILE 7 HG11 ILE 7 -0.789 6.078 -2.137
65 HG21 ILE 7 HG21 ILE 7 -2.301 8.498 0.226
66 HG22 ILE 7 HG22 ILE 7 -2.515 6.890 -0.559
67 HG23 ILE 7 HG23 ILE 7 -2.647 8.392 -1.545
68 HD11 ILE 7 HD11 ILE 7 -1.345 8.732 -2.880
69 HD12 ILE 7 HD12 ILE 7 -1.342 7.288 -4.015
70 HD13 ILE 7 HD13 ILE 7 0.142 8.315 -3.833
71 H ILE 8 HN ILE 8 0.445 10.456 0.726
72 HA ILE 8 HA ILE 8 -2.234 11.218 0.723
73 HB ILE 8 HB ILE 8 0.007 10.683 2.452
74 HG12 ILE 8 HG12 ILE 8 -2.982 10.107 2.628
75 HG13 ILE 8 HG11 ILE 8 -1.692 9.079 1.896
76 HG21 ILE 8 HG21 ILE 8 -1.369 11.787 4.481
77 HG22 ILE 8 HG22 ILE 8 -2.178 12.763 3.198
78 HG23 ILE 8 HG23 ILE 8 -0.392 12.885 3.435
79 HD11 ILE 8 HD11 ILE 8 -2.353 9.535 4.807
80 HD12 ILE 8 HD12 ILE 8 -0.603 9.424 4.380
81 HD13 ILE 8 HD13 ILE 8 -1.718 8.068 3.968
82 H LEU 9 HN LEU 9 -0.152 11.860 -0.922
83 HA LEU 9 HA LEU 9 -0.227 14.720 -1.061
84 HB2 LEU 9 HB2 LEU 9 2.291 13.165 -1.644
85 HB3 LEU 9 HB1 LEU 9 2.149 14.928 -1.312
86 HG LEU 9 HG LEU 9 1.751 12.690 0.670
87 HD11 LEU 9 HD11 LEU 9 3.952 13.164 1.561
88 HD12 LEU 9 HD12 LEU 9 4.080 14.706 0.634
89 HD13 LEU 9 HD13 LEU 9 4.166 13.126 -0.231
90 HD21 LEU 9 HD21 LEU 9 0.561 15.033 0.883
91 HD22 LEU 9 HD22 LEU 9 2.158 15.578 1.501
92 HD23 LEU 9 HD23 LEU 9 1.269 14.233 2.324
93 H DAS 10 HN DAS 10 0.517 11.536 -2.050
94 HA DAS 10 HA DAS 10 0.429 10.566 -3.960
95 HB2 DAS 10 HB2 DAS 10 0.140 13.060 -5.552
96 HB3 DAS 10 HB1 DAS 10 1.644 12.855 -4.608
97 H PHE 11 HN PHE 11 -1.816 12.520 -2.670
98 HA PHE 11 HA PHE 11 -3.836 11.968 -4.691
99 HB2 PHE 11 HB2 PHE 11 -5.212 10.712 -3.217
100 HB3 PHE 11 HB1 PHE 11 -3.582 10.232 -2.599
101 HD1 PHE 11 HD1 PHE 11 -6.569 10.851 -1.312
102 HD2 PHE 11 HD2 PHE 11 -2.707 12.527 -1.315
103 HE1 PHE 11 HE1 PHE 11 -7.014 11.970 0.801
104 HE2 PHE 11 HE2 PHE 11 -3.089 13.619 0.658
105 HZ PHE 11 HZ PHE 11 -5.277 13.380 1.860
106 H LEU 12 HN LEU 12 -2.031 14.163 -3.278
107 HA LEU 12 HA LEU 12 -4.163 15.718 -2.088
108 HB2 LEU 12 HB2 LEU 12 -1.168 15.853 -2.166
109 HB3 LEU 12 HB1 LEU 12 -2.097 17.364 -1.862
110 HG LEU 12 HG LEU 12 -2.142 14.807 -0.322
111 HD11 LEU 12 HD11 LEU 12 -1.126 17.597 0.431
112 HD12 LEU 12 HD12 LEU 12 -0.097 16.271 -0.255
113 HD13 LEU 12 HD13 LEU 12 -0.905 16.059 1.355
114 HD21 LEU 12 HD21 LEU 12 -3.832 17.340 -0.130
115 HD22 LEU 12 HD22 LEU 12 -3.522 16.325 1.334
116 HD23 LEU 12 HD23 LEU 12 -4.358 15.616 -0.104
117 H PHE 13 HN PHE 13 -1.354 15.951 -4.118
118 HA PHE 13 HA PHE 13 -2.499 18.464 -5.134
119 HB2 PHE 13 HB2 PHE 13 -0.329 17.675 -6.832
120 HB3 PHE 13 HB1 PHE 13 -0.278 18.969 -5.589
121 HD1 PHE 13 HD1 PHE 13 0.867 16.099 -6.778
122 HD2 PHE 13 HD2 PHE 13 0.045 18.157 -3.198
123 HE1 PHE 13 HE1 PHE 13 2.189 14.537 -5.624
124 HE2 PHE 13 HE2 PHE 13 1.422 16.580 -2.002
125 HZ PHE 13 HZ PHE 13 2.447 14.761 -3.267
126 H LEU 14 HN LEU 14 -2.309 15.131 -5.360
127 HA LEU 14 HA LEU 14 -2.393 14.938 -8.160
128 HB2 LEU 14 HB2 LEU 14 -2.529 13.107 -5.834
129 HB3 LEU 14 HB1 LEU 14 -3.506 12.546 -7.258
130 HG LEU 14 HG LEU 14 -0.914 11.923 -6.992
131 HD11 LEU 14 HD11 LEU 14 -2.627 12.495 -9.403
132 HD12 LEU 14 HD12 LEU 14 -1.789 10.976 -8.899
133 HD13 LEU 14 HD13 LEU 14 -0.861 12.287 -9.720
134 HD21 LEU 14 HD21 LEU 14 -0.586 14.508 -8.621
135 HD22 LEU 14 HD22 LEU 14 0.687 13.416 -7.961
136 HD23 LEU 14 HD23 LEU 14 -0.284 14.442 -6.843
137 H ARG 15 HN ARG 15 -4.366 16.413 -6.206
138 HA ARG 15 HA ARG 15 -6.794 15.588 -7.527
139 HB2 ARG 15 HB2 ARG 15 -5.996 16.304 -4.874
140 HB3 ARG 15 HB1 ARG 15 -7.128 17.576 -5.463
141 HG2 ARG 15 HG2 ARG 15 -8.912 16.224 -5.086
142 HG3 ARG 15 HG1 ARG 15 -8.224 14.966 -6.178
143 HD2 ARG 15 HD2 ARG 15 -6.699 14.949 -3.701
144 HD3 ARG 15 HD1 ARG 15 -8.463 14.887 -3.288
145 HE ARG 15 HE ARG 15 -8.548 12.730 -4.241
146 HH11 ARG 15 HH11 ARG 15 -5.666 14.432 -5.421
147 HH12 ARG 15 HH12 ARG 15 -4.926 13.016 -6.092
148 HH21 ARG 15 HH21 ARG 15 -7.538 10.814 -5.111
149 HH22 ARG 15 HH22 ARG 15 -6.009 10.930 -5.914
150 H LYS 16 HN LYS 16 -4.430 18.007 -6.861
151 HA LYS 16 HA LYS 16 -5.752 20.285 -7.717
152 HB2 LYS 16 HB2 LYS 16 -2.828 19.440 -7.571
153 HB3 LYS 16 HB1 LYS 16 -3.319 21.102 -8.066
154 HG2 LYS 16 HG2 LYS 16 -4.488 21.388 -5.886
155 HG3 LYS 16 HG1 LYS 16 -4.027 19.713 -5.431
156 HD2 LYS 16 HD2 LYS 16 -1.632 20.310 -5.544
157 HD3 LYS 16 HD1 LYS 16 -2.053 21.978 -6.061
158 HE2 LYS 16 HE2 LYS 16 -3.219 22.367 -3.864
159 HE3 LYS 16 HE1 LYS 16 -2.808 20.676 -3.354
160 HZ1 LYS 16 HZ1 LYS 16 -0.450 21.814 -4.204
161 HZ2 LYS 16 HZ2 LYS 16 -0.942 21.510 -2.607
162 HZ3 LYS 16 HZ3 LYS 16 -1.225 23.030 -3.308
163 H LYS 17 HN LYS 17 -3.945 17.709 -9.314
164 HA LYS 17 HA LYS 17 -3.674 19.012 -11.756
165 HB2 LYS 17 HB2 LYS 17 -4.152 16.010 -11.695
166 HB3 LYS 17 HB1 LYS 17 -3.031 16.950 -12.741
167 HG2 LYS 17 HG2 LYS 17 -2.676 16.429 -9.728
168 HG3 LYS 17 HG1 LYS 17 -1.824 15.574 -11.054
169 HD2 LYS 17 HD2 LYS 17 -0.294 17.232 -11.275
170 HD3 LYS 17 HD1 LYS 17 -1.561 18.506 -11.333
171 HE2 LYS 17 HE2 LYS 17 -1.612 18.726 -8.921
172 HE3 LYS 17 HE1 LYS 17 -0.697 17.176 -8.689
173 HZ1 LYS 17 HZ1 LYS 17 0.555 19.307 -10.275
174 HZ2 LYS 17 HZ2 LYS 17 1.246 18.158 -9.233
175 HZ3 LYS 17 HZ3 LYS 17 0.450 19.515 -8.593
Start of MODEL 9
1 H1 GLU 1 HT1 GLU 1 8.591 2.797 3.285
2 H2 GLU 1 HT2 GLU 1 10.173 2.993 2.698
3 H3 GLU 1 HT3 GLU 1 9.063 2.033 1.842
4 HA GLU 1 HA GLU 1 9.464 4.860 1.823
5 HB2 GLU 1 HB2 GLU 1 7.923 2.920 0.000
6 HB3 GLU 1 HB1 GLU 1 8.303 4.630 -0.405
7 HG2 GLU 1 HG2 GLU 1 10.766 4.119 -0.300
8 HG3 GLU 1 HG1 GLU 1 10.383 2.394 0.089
9 H MET 2 HN MET 2 6.520 2.723 1.700
10 HA MET 2 HA MET 2 4.453 3.057 2.387
11 HB2 MET 2 HB2 MET 2 5.630 5.348 4.040
12 HB3 MET 2 HB1 MET 2 3.885 4.926 4.052
13 HG2 MET 2 HG2 MET 2 4.402 2.640 4.842
14 HG3 MET 2 HG1 MET 2 6.160 2.976 4.752
15 HE1 MET 2 HE1 MET 2 3.030 5.157 6.064
16 HE2 MET 2 HE2 MET 2 2.999 4.534 7.748
17 HE3 MET 2 HE3 MET 2 2.809 3.399 6.368
18 H ARG 3 HN ARG 3 3.306 3.542 0.573
19 HA ARG 3 HA ARG 3 3.401 6.320 -0.242
20 HB2 ARG 3 HB2 ARG 3 2.700 3.735 -1.689
21 HB3 ARG 3 HB1 ARG 3 1.932 5.278 -2.218
22 HG2 ARG 3 HG2 ARG 3 3.906 5.030 -3.561
23 HG3 ARG 3 HG1 ARG 3 4.248 6.297 -2.330
24 HD2 ARG 3 HD2 ARG 3 5.489 4.643 -0.922
25 HD3 ARG 3 HD1 ARG 3 5.145 3.342 -2.143
26 HE ARG 3 HE ARG 3 6.746 4.332 -3.605
27 HH11 ARG 3 HH11 ARG 3 6.088 6.401 -0.771
28 HH12 ARG 3 HH12 ARG 3 7.394 7.496 -1.080
29 HH21 ARG 3 HH21 ARG 3 8.520 5.819 -4.014
30 HH22 ARG 3 HH22 ARG 3 8.797 7.159 -2.952
31 H ILE 4 HN ILE 4 2.457 6.106 1.974
32 HA ILE 4 HA ILE 4 -0.344 6.628 1.719
33 HB ILE 4 HB ILE 4 -0.345 5.245 4.084
34 HG12 ILE 4 HG12 ILE 4 2.008 4.382 3.175
35 HG13 ILE 4 HG11 ILE 4 0.880 3.278 4.034
36 HG21 ILE 4 HG21 ILE 4 -2.210 5.146 2.584
37 HG22 ILE 4 HG22 ILE 4 -1.615 3.444 2.664
38 HG23 ILE 4 HG23 ILE 4 -1.211 4.478 1.240
39 HD11 ILE 4 HD11 ILE 4 0.349 2.074 2.085
40 HD12 ILE 4 HD12 ILE 4 2.041 2.571 1.706
41 HD13 ILE 4 HD13 ILE 4 0.657 3.481 0.998
42 H SER 5 HN SER 5 2.219 7.741 1.954
43 HA SER 5 HA SER 5 1.897 9.473 4.144
44 HB2 SER 5 HB2 SER 5 4.211 7.440 4.308
45 HB3 SER 5 HB1 SER 5 4.244 9.032 5.168
46 HG SER 5 HG SER 5 1.948 7.517 5.494
47 H ARG 6 HN ARG 6 1.837 9.395 1.469
48 HA ARG 6 HA ARG 6 3.595 11.317 0.675
49 HB2 ARG 6 HB2 ARG 6 5.339 10.150 -0.247
50 HB3 ARG 6 HB1 ARG 6 4.668 8.664 0.505
51 HG2 ARG 6 HG2 ARG 6 4.836 8.127 -1.806
52 HG3 ARG 6 HG1 ARG 6 3.093 8.502 -1.575
53 HD2 ARG 6 HD2 ARG 6 3.873 9.607 -3.641
54 HD3 ARG 6 HD1 ARG 6 3.594 10.891 -2.385
55 HE ARG 6 HE ARG 6 6.303 10.123 -2.121
56 HH11 ARG 6 HH11 ARG 6 4.130 11.456 -4.606
57 HH12 ARG 6 HH12 ARG 6 5.343 12.426 -5.374
58 HH21 ARG 6 HH21 ARG 6 7.961 11.442 -3.167
59 HH22 ARG 6 HH22 ARG 6 7.559 12.415 -4.541
60 H ILE 7 HN ILE 7 1.409 8.616 0.272
61 HA ILE 7 HA ILE 7 0.391 9.521 -2.171
62 HB ILE 7 HB ILE 7 0.046 7.424 -0.242
63 HG12 ILE 7 HG12 ILE 7 0.979 7.081 -2.369
64 HG13 ILE 7 HG11 ILE 7 -0.614 6.205 -2.329
65 HG21 ILE 7 HG21 ILE 7 -2.337 6.846 -0.633
66 HG22 ILE 7 HG22 ILE 7 -2.554 8.375 -1.559
67 HG23 ILE 7 HG23 ILE 7 -2.176 8.433 0.208
68 HD11 ILE 7 HD11 ILE 7 -1.268 7.521 -4.100
69 HD12 ILE 7 HD12 ILE 7 0.199 8.569 -3.898
70 HD13 ILE 7 HD13 ILE 7 -1.281 8.886 -2.884
71 H ILE 8 HN ILE 8 0.469 10.558 0.729
72 HA ILE 8 HA ILE 8 -2.242 11.216 0.707
73 HB ILE 8 HB ILE 8 -0.015 10.733 2.467
74 HG12 ILE 8 HG12 ILE 8 -2.990 10.069 2.581
75 HG13 ILE 8 HG11 ILE 8 -1.656 9.084 1.868
76 HG21 ILE 8 HG21 ILE 8 -2.268 12.744 3.192
77 HG22 ILE 8 HG22 ILE 8 -0.492 12.910 3.466
78 HG23 ILE 8 HG23 ILE 8 -1.460 11.778 4.482
79 HD11 ILE 8 HD11 ILE 8 -0.607 9.385 4.344
80 HD12 ILE 8 HD12 ILE 8 -1.764 8.060 3.945
81 HD13 ILE 8 HD13 ILE 8 -2.348 9.550 4.783
82 H LEU 9 HN LEU 9 -0.148 11.932 -0.893
83 HA LEU 9 HA LEU 9 -0.319 14.793 -1.013
84 HB2 LEU 9 HB2 LEU 9 2.259 13.329 -1.567
85 HB3 LEU 9 HB1 LEU 9 2.051 15.084 -1.217
86 HG LEU 9 HG LEU 9 1.688 12.808 0.733
87 HD11 LEU 9 HD11 LEU 9 3.860 13.319 1.659
88 HD12 LEU 9 HD12 LEU 9 3.957 14.890 0.776
89 HD13 LEU 9 HD13 LEU 9 4.105 13.338 -0.131
90 HD21 LEU 9 HD21 LEU 9 1.128 14.316 2.391
91 HD22 LEU 9 HD22 LEU 9 0.430 15.118 0.947
92 HD23 LEU 9 HD23 LEU 9 1.999 15.695 1.609
93 H DAS 10 HN DAS 10 0.542 11.643 -2.015
94 HA DAS 10 HA DAS 10 0.525 10.695 -3.943
95 HB2 DAS 10 HB2 DAS 10 0.162 13.180 -5.524
96 HB3 DAS 10 HB1 DAS 10 1.645 13.060 -4.534
97 H PHE 11 HN PHE 11 -1.806 12.563 -2.670
98 HA PHE 11 HA PHE 11 -3.771 11.961 -4.727
99 HB2 PHE 11 HB2 PHE 11 -5.138 10.656 -3.286
100 HB3 PHE 11 HB1 PHE 11 -3.504 10.214 -2.647
101 HD1 PHE 11 HD1 PHE 11 -6.521 10.723 -1.393
102 HD2 PHE 11 HD2 PHE 11 -2.720 12.533 -1.332
103 HE1 PHE 11 HE1 PHE 11 -7.032 11.810 0.720
104 HE2 PHE 11 HE2 PHE 11 -3.170 13.598 0.643
105 HZ PHE 11 HZ PHE 11 -5.361 13.272 1.813
106 H LEU 12 HN LEU 12 -2.061 14.204 -3.276
107 HA LEU 12 HA LEU 12 -4.261 15.682 -2.110
108 HB2 LEU 12 HB2 LEU 12 -1.270 15.911 -2.129
109 HB3 LEU 12 HB1 LEU 12 -2.251 17.390 -1.833
110 HG LEU 12 HG LEU 12 -2.251 14.822 -0.312
111 HD11 LEU 12 HD11 LEU 12 -0.250 16.344 -0.194
112 HD12 LEU 12 HD12 LEU 12 -1.079 16.086 1.398
113 HD13 LEU 12 HD13 LEU 12 -1.326 17.629 0.491
114 HD21 LEU 12 HD21 LEU 12 -4.013 17.304 -0.136
115 HD22 LEU 12 HD22 LEU 12 -3.702 16.289 1.329
116 HD23 LEU 12 HD23 LEU 12 -4.489 15.564 -0.130
117 H PHE 13 HN PHE 13 -1.426 16.017 -4.090
118 HA PHE 13 HA PHE 13 -2.637 18.500 -5.114
119 HB2 PHE 13 HB2 PHE 13 -0.406 17.797 -6.771
120 HB3 PHE 13 HB1 PHE 13 -0.425 19.085 -5.518
121 HD1 PHE 13 HD1 PHE 13 0.841 16.262 -6.701
122 HD2 PHE 13 HD2 PHE 13 -0.121 18.265 -3.123
123 HE1 PHE 13 HE1 PHE 13 2.190 14.737 -5.532
124 HE2 PHE 13 HE2 PHE 13 1.284 16.724 -1.910
125 HZ PHE 13 HZ PHE 13 2.395 14.951 -3.169
126 H LEU 14 HN LEU 14 -2.333 15.176 -5.351
127 HA LEU 14 HA LEU 14 -2.357 15.003 -8.155
128 HB2 LEU 14 HB2 LEU 14 -2.475 13.149 -5.847
129 HB3 LEU 14 HB1 LEU 14 -3.407 12.569 -7.293
130 HG LEU 14 HG LEU 14 -0.799 12.028 -6.985
131 HD11 LEU 14 HD11 LEU 14 -2.484 12.565 -9.426
132 HD12 LEU 14 HD12 LEU 14 -1.619 11.065 -8.910
133 HD13 LEU 14 HD13 LEU 14 -0.707 12.403 -9.707
134 HD21 LEU 14 HD21 LEU 14 0.768 13.580 -7.915
135 HD22 LEU 14 HD22 LEU 14 -0.258 14.568 -6.811
136 HD23 LEU 14 HD23 LEU 14 -0.530 14.632 -8.595
137 H ARG 15 HN ARG 15 -4.410 16.398 -6.225
138 HA ARG 15 HA ARG 15 -6.785 15.508 -7.598
139 HB2 ARG 15 HB2 ARG 15 -6.062 16.242 -4.926
140 HB3 ARG 15 HB1 ARG 15 -7.222 17.478 -5.535
141 HG2 ARG 15 HG2 ARG 15 -8.965 16.066 -5.178
142 HG3 ARG 15 HG1 ARG 15 -8.230 14.848 -6.284
143 HD2 ARG 15 HD2 ARG 15 -6.729 14.838 -3.791
144 HD3 ARG 15 HD1 ARG 15 -8.494 14.711 -3.399
145 HE ARG 15 HE ARG 15 -8.509 12.572 -4.402
146 HH11 ARG 15 HH11 ARG 15 -5.636 14.371 -5.463
147 HH12 ARG 15 HH12 ARG 15 -4.845 12.988 -6.145
148 HH21 ARG 15 HH21 ARG 15 -7.428 10.702 -5.291
149 HH22 ARG 15 HH22 ARG 15 -5.879 10.875 -6.048
150 H LYS 16 HN LYS 16 -4.492 17.992 -6.907
151 HA LYS 16 HA LYS 16 -5.873 20.230 -7.785
152 HB2 LYS 16 HB2 LYS 16 -2.940 19.461 -7.569
153 HB3 LYS 16 HB1 LYS 16 -3.429 21.074 -8.203
154 HG2 LYS 16 HG2 LYS 16 -4.613 21.546 -6.082
155 HG3 LYS 16 HG1 LYS 16 -4.217 19.895 -5.493
156 HD2 LYS 16 HD2 LYS 16 -1.878 20.370 -5.361
157 HD3 LYS 16 HD1 LYS 16 -2.041 21.866 -6.342
158 HE2 LYS 16 HE2 LYS 16 -1.708 22.408 -3.916
159 HE3 LYS 16 HE1 LYS 16 -3.353 22.938 -4.462
160 HZ1 LYS 16 HZ1 LYS 16 -4.107 21.755 -2.798
161 HZ2 LYS 16 HZ2 LYS 16 -2.603 21.032 -2.487
162 HZ3 LYS 16 HZ3 LYS 16 -3.657 20.344 -3.628
163 H LYS 17 HN LYS 17 -3.989 17.700 -9.358
164 HA LYS 17 HA LYS 17 -3.805 19.000 -11.821
165 HB2 LYS 17 HB2 LYS 17 -4.081 15.978 -11.756
166 HB3 LYS 17 HB1 LYS 17 -2.998 16.992 -12.773
167 HG2 LYS 17 HG2 LYS 17 -2.669 16.482 -9.754
168 HG3 LYS 17 HG1 LYS 17 -1.749 15.673 -11.064
169 HD2 LYS 17 HD2 LYS 17 -0.306 17.412 -11.262
170 HD3 LYS 17 HD1 LYS 17 -1.639 18.615 -11.343
171 HE2 LYS 17 HE2 LYS 17 -1.745 18.824 -8.931
172 HE3 LYS 17 HE1 LYS 17 -0.740 17.335 -8.684
173 HZ1 LYS 17 HZ1 LYS 17 1.146 18.438 -9.210
174 HZ2 LYS 17 HZ2 LYS 17 0.261 19.733 -8.562
175 HZ3 LYS 17 HZ3 LYS 17 0.393 19.553 -10.245
Start of MODEL 10
1 H1 GLU 1 HT1 GLU 1 7.395 1.483 -3.176
2 H2 GLU 1 HT2 GLU 1 6.569 2.939 -3.464
3 H3 GLU 1 HT3 GLU 1 5.739 1.607 -2.812
4 HA GLU 1 HA GLU 1 6.629 1.834 -0.765
5 HB2 GLU 1 HB2 GLU 1 9.010 1.810 -1.612
6 HB3 GLU 1 HB1 GLU 1 8.844 3.553 -2.028
7 HG2 GLU 1 HG2 GLU 1 8.502 4.130 0.383
8 HG3 GLU 1 HG1 GLU 1 8.598 2.380 0.828
9 H MET 2 HN MET 2 5.148 3.074 0.330
10 HA MET 2 HA MET 2 5.160 5.935 -0.326
11 HB2 MET 2 HB2 MET 2 2.684 4.304 0.461
12 HB3 MET 2 HB1 MET 2 2.731 6.076 0.112
13 HG2 MET 2 HG2 MET 2 3.404 3.807 -1.893
14 HG3 MET 2 HG1 MET 2 1.840 4.664 -1.808
15 HE1 MET 2 HE1 MET 2 3.379 5.815 -5.178
16 HE2 MET 2 HE2 MET 2 2.039 4.985 -4.313
17 HE3 MET 2 HE3 MET 2 3.673 4.236 -4.370
18 H ARG 3 HN ARG 3 4.030 7.165 1.520
19 HA ARG 3 HA ARG 3 5.045 5.976 3.924
20 HB2 ARG 3 HB2 ARG 3 4.339 8.890 3.461
21 HB3 ARG 3 HB1 ARG 3 5.188 8.209 4.903
22 HG2 ARG 3 HG2 ARG 3 6.212 8.372 2.017
23 HG3 ARG 3 HG1 ARG 3 6.877 9.201 3.474
24 HD2 ARG 3 HD2 ARG 3 7.428 6.904 4.461
25 HD3 ARG 3 HD1 ARG 3 6.882 6.156 2.892
26 HE ARG 3 HE ARG 3 8.847 8.253 2.398
27 HH11 ARG 3 HH11 ARG 3 8.430 4.949 3.660
28 HH12 ARG 3 HH12 ARG 3 10.014 4.411 3.208
29 HH21 ARG 3 HH21 ARG 3 11.005 7.522 1.790
30 HH22 ARG 3 HH22 ARG 3 11.501 5.898 2.130
31 H ILE 4 HN ILE 4 2.333 6.371 2.157
32 HA ILE 4 HA ILE 4 0.148 6.216 2.630
33 HB ILE 4 HB ILE 4 0.535 5.482 5.478
34 HG12 ILE 4 HG12 ILE 4 2.527 4.506 4.534
35 HG13 ILE 4 HG11 ILE 4 1.351 3.203 4.875
36 HG21 ILE 4 HG21 ILE 4 -1.061 4.384 3.065
37 HG22 ILE 4 HG22 ILE 4 -1.693 5.349 4.453
38 HG23 ILE 4 HG23 ILE 4 -1.115 3.660 4.717
39 HD11 ILE 4 HD11 ILE 4 0.970 4.079 2.123
40 HD12 ILE 4 HD12 ILE 4 1.572 2.484 2.717
41 HD13 ILE 4 HD13 ILE 4 2.739 3.833 2.406
42 H SER 5 HN SER 5 1.910 8.301 3.052
43 HA SER 5 HA SER 5 0.162 10.067 4.016
44 HB2 SER 5 HB2 SER 5 1.585 11.096 5.928
45 HB3 SER 5 HB1 SER 5 0.750 9.555 6.369
46 HG SER 5 HG SER 5 2.669 8.461 5.846
47 H ARG 6 HN ARG 6 1.458 9.313 1.822
48 HA ARG 6 HA ARG 6 3.045 11.591 1.299
49 HB2 ARG 6 HB2 ARG 6 4.962 10.313 1.429
50 HB3 ARG 6 HB1 ARG 6 4.001 8.800 1.459
51 HG2 ARG 6 HG2 ARG 6 5.370 8.819 -0.561
52 HG3 ARG 6 HG1 ARG 6 3.632 8.986 -1.013
53 HD2 ARG 6 HD2 ARG 6 4.786 10.639 -2.352
54 HD3 ARG 6 HD1 ARG 6 4.060 11.575 -0.969
55 HE ARG 6 HE ARG 6 6.680 10.740 -0.176
56 HH11 ARG 6 HH11 ARG 6 5.051 12.826 -2.557
57 HH12 ARG 6 HH12 ARG 6 6.325 13.996 -2.638
58 HH21 ARG 6 HH21 ARG 6 8.418 12.332 -0.283
59 HH22 ARG 6 HH22 ARG 6 8.272 13.710 -1.322
60 H ILE 7 HN ILE 7 1.342 8.542 0.404
61 HA ILE 7 HA ILE 7 1.009 9.674 -2.275
62 HB ILE 7 HB ILE 7 -1.172 7.829 -1.654
63 HG12 ILE 7 HG12 ILE 7 0.336 5.787 -1.539
64 HG13 ILE 7 HG11 ILE 7 1.651 6.927 -1.058
65 HG21 ILE 7 HG21 ILE 7 -0.184 6.645 -3.681
66 HG22 ILE 7 HG22 ILE 7 1.206 7.794 -3.629
67 HG23 ILE 7 HG23 ILE 7 -0.463 8.408 -3.937
68 HD11 ILE 7 HD11 ILE 7 -0.560 5.899 0.563
69 HD12 ILE 7 HD12 ILE 7 -0.648 7.709 0.443
70 HD13 ILE 7 HD13 ILE 7 0.853 6.909 1.057
71 H ILE 8 HN ILE 8 0.157 10.264 0.737
72 HA ILE 8 HA ILE 8 -2.555 10.738 0.155
73 HB ILE 8 HB ILE 8 -0.846 10.601 2.570
74 HG12 ILE 8 HG12 ILE 8 -3.471 9.244 1.727
75 HG13 ILE 8 HG11 ILE 8 -1.827 8.616 1.385
76 HG21 ILE 8 HG21 ILE 8 -3.572 12.007 2.271
77 HG22 ILE 8 HG22 ILE 8 -2.172 12.445 3.325
78 HG23 ILE 8 HG23 ILE 8 -3.249 11.073 3.780
79 HD11 ILE 8 HD11 ILE 8 -1.914 7.523 3.363
80 HD12 ILE 8 HD12 ILE 8 -3.434 8.379 3.833
81 HD13 ILE 8 HD13 ILE 8 -1.829 9.128 4.180
82 H LEU 9 HN LEU 9 -0.303 11.804 -0.957
83 HA LEU 9 HA LEU 9 -0.795 14.617 -0.893
84 HB2 LEU 9 HB2 LEU 9 2.008 13.485 -0.928
85 HB3 LEU 9 HB1 LEU 9 1.520 15.188 -0.585
86 HG LEU 9 HG LEU 9 1.035 12.776 1.166
87 HD11 LEU 9 HD11 LEU 9 3.492 13.656 0.862
88 HD12 LEU 9 HD12 LEU 9 2.882 13.506 2.555
89 HD13 LEU 9 HD13 LEU 9 2.948 15.122 1.759
90 HD21 LEU 9 HD21 LEU 9 0.777 15.638 2.153
91 HD22 LEU 9 HD22 LEU 9 -0.036 14.125 2.722
92 HD23 LEU 9 HD23 LEU 9 -0.532 14.891 1.180
93 H DAS 10 HN DAS 10 0.716 11.726 -1.878
94 HA DAS 10 HA DAS 10 1.295 10.998 -3.837
95 HB2 DAS 10 HB2 DAS 10 0.845 13.583 -5.234
96 HB3 DAS 10 HB1 DAS 10 2.139 13.510 -4.003
97 H PHE 11 HN PHE 11 -1.550 12.211 -2.924
98 HA PHE 11 HA PHE 11 -2.857 11.589 -5.473
99 HB2 PHE 11 HB2 PHE 11 -4.415 10.134 -4.436
100 HB3 PHE 11 HB1 PHE 11 -2.937 9.802 -3.452
101 HD1 PHE 11 HD1 PHE 11 -6.195 9.957 -2.930
102 HD2 PHE 11 HD2 PHE 11 -2.720 12.095 -1.878
103 HE1 PHE 11 HE1 PHE 11 -7.278 10.787 -0.905
104 HE2 PHE 11 HE2 PHE 11 -3.721 12.918 0.037
105 HZ PHE 11 HZ PHE 11 -6.061 12.286 0.631
106 H LEU 12 HN LEU 12 -1.932 13.908 -3.360
107 HA LEU 12 HA LEU 12 -4.521 15.006 -2.791
108 HB2 LEU 12 HB2 LEU 12 -1.685 15.730 -2.128
109 HB3 LEU 12 HB1 LEU 12 -2.980 16.968 -1.964
110 HG LEU 12 HG LEU 12 -2.784 14.299 -0.636
111 HD11 LEU 12 HD11 LEU 12 -2.536 17.139 0.488
112 HD12 LEU 12 HD12 LEU 12 -1.146 16.090 -0.010
113 HD13 LEU 12 HD13 LEU 12 -2.223 15.587 1.359
114 HD21 LEU 12 HD21 LEU 12 -4.935 16.480 -0.481
115 HD22 LEU 12 HD22 LEU 12 -4.751 15.186 0.766
116 HD23 LEU 12 HD23 LEU 12 -5.139 14.747 -0.943
117 H PHE 13 HN PHE 13 -1.411 15.939 -4.041
118 HA PHE 13 HA PHE 13 -2.751 18.307 -5.123
119 HB2 PHE 13 HB2 PHE 13 -0.182 17.959 -6.389
120 HB3 PHE 13 HB1 PHE 13 -0.614 19.187 -5.147
121 HD1 PHE 13 HD1 PHE 13 1.310 16.702 -6.090
122 HD2 PHE 13 HD2 PHE 13 -0.763 18.218 -2.752
123 HE1 PHE 13 HE1 PHE 13 2.589 15.308 -4.707
124 HE2 PHE 13 HE2 PHE 13 0.565 16.811 -1.314
125 HZ PHE 13 HZ PHE 13 2.210 15.356 -2.350
126 H LEU 14 HN LEU 14 -1.967 15.118 -5.489
127 HA LEU 14 HA LEU 14 -1.598 15.120 -8.279
128 HB2 LEU 14 HB2 LEU 14 -1.661 13.146 -6.072
129 HB3 LEU 14 HB1 LEU 14 -2.219 12.498 -7.671
130 HG LEU 14 HG LEU 14 0.354 12.425 -7.022
131 HD11 LEU 14 HD11 LEU 14 0.114 11.639 -9.164
132 HD12 LEU 14 HD12 LEU 14 0.707 13.273 -9.654
133 HD13 LEU 14 HD13 LEU 14 -1.067 12.931 -9.613
134 HD21 LEU 14 HD21 LEU 14 0.313 14.973 -6.470
135 HD22 LEU 14 HD22 LEU 14 0.330 15.240 -8.256
136 HD23 LEU 14 HD23 LEU 14 1.690 14.359 -7.460
137 H ARG 15 HN ARG 15 -4.129 15.559 -6.219
138 HA ARG 15 HA ARG 15 -6.181 14.488 -7.886
139 HB2 ARG 15 HB2 ARG 15 -5.667 15.119 -5.241
140 HB3 ARG 15 HB1 ARG 15 -6.842 16.358 -5.761
141 HG2 ARG 15 HG2 ARG 15 -8.580 14.855 -5.899
142 HG3 ARG 15 HG1 ARG 15 -7.521 13.511 -6.467
143 HD2 ARG 15 HD2 ARG 15 -8.541 13.633 -3.895
144 HD3 ARG 15 HD1 ARG 15 -6.963 12.843 -4.338
145 HE ARG 15 HE ARG 15 -5.903 14.438 -3.070
146 HH11 ARG 15 HH11 ARG 15 -8.950 15.845 -4.244
147 HH12 ARG 15 HH12 ARG 15 -8.608 17.441 -3.666
148 HH21 ARG 15 HH21 ARG 15 -5.343 16.598 -2.468
149 HH22 ARG 15 HH22 ARG 15 -6.503 17.883 -2.628
150 H LYS 16 HN LYS 16 -4.851 17.340 -6.471
151 HA LYS 16 HA LYS 16 -6.560 19.274 -7.417
152 HB2 LYS 16 HB2 LYS 16 -3.665 19.190 -6.562
153 HB3 LYS 16 HB1 LYS 16 -4.468 20.750 -6.990
154 HG2 LYS 16 HG2 LYS 16 -6.149 20.371 -5.194
155 HG3 LYS 16 HG1 LYS 16 -5.376 18.794 -4.801
156 HD2 LYS 16 HD2 LYS 16 -3.255 19.936 -4.246
157 HD3 LYS 16 HD1 LYS 16 -3.974 21.520 -4.703
158 HE2 LYS 16 HE2 LYS 16 -5.654 21.301 -2.837
159 HE3 LYS 16 HE1 LYS 16 -4.934 19.698 -2.387
160 HZ1 LYS 16 HZ1 LYS 16 -4.131 22.257 -1.626
161 HZ2 LYS 16 HZ2 LYS 16 -2.886 21.605 -2.578
162 HZ3 LYS 16 HZ3 LYS 16 -3.445 20.759 -1.215
163 H LYS 17 HN LYS 17 -3.465 18.019 -8.699
164 HA LYS 17 HA LYS 17 -4.355 19.078 -11.222
165 HB2 LYS 17 HB2 LYS 17 -1.783 19.700 -11.653
166 HB3 LYS 17 HB1 LYS 17 -2.905 20.893 -10.919
167 HG2 LYS 17 HG2 LYS 17 -1.479 19.042 -9.003
168 HG3 LYS 17 HG1 LYS 17 -0.463 20.240 -9.866
169 HD2 LYS 17 HD2 LYS 17 -1.477 22.072 -8.839
170 HD3 LYS 17 HD1 LYS 17 -3.048 21.230 -8.621
171 HE2 LYS 17 HE2 LYS 17 -2.279 21.257 -6.391
172 HE3 LYS 17 HE1 LYS 17 -1.580 19.680 -6.940
173 HZ1 LYS 17 HZ1 LYS 17 -0.091 22.229 -7.204
174 HZ2 LYS 17 HZ2 LYS 17 0.494 20.635 -7.209
175 HZ3 LYS 17 HZ3 LYS 17 -0.080 21.323 -5.768
Start of MODEL 11
1 H1 GLU 1 HT1 GLU 1 6.922 2.452 -0.072
2 H2 GLU 1 HT2 GLU 1 7.477 1.215 -1.096
3 H3 GLU 1 HT3 GLU 1 5.905 1.145 -0.457
4 HA GLU 1 HA GLU 1 6.971 2.715 -2.654
5 HB2 GLU 1 HB2 GLU 1 5.470 0.667 -2.911
6 HB3 GLU 1 HB1 GLU 1 4.174 1.584 -2.066
7 HG2 GLU 1 HG2 GLU 1 4.178 3.310 -3.895
8 HG3 GLU 1 HG1 GLU 1 5.496 2.408 -4.743
9 H MET 2 HN MET 2 5.053 3.148 0.310
10 HA MET 2 HA MET 2 4.940 5.957 -0.310
11 HB2 MET 2 HB2 MET 2 2.415 5.814 0.708
12 HB3 MET 2 HB1 MET 2 2.780 5.854 -1.059
13 HG2 MET 2 HG2 MET 2 2.807 3.100 0.153
14 HG3 MET 2 HG1 MET 2 1.225 3.936 0.189
15 HE1 MET 2 HE1 MET 2 -0.100 2.318 -2.769
16 HE2 MET 2 HE2 MET 2 -0.335 3.205 -1.223
17 HE3 MET 2 HE3 MET 2 0.565 1.649 -1.238
18 H ARG 3 HN ARG 3 3.909 7.145 1.640
19 HA ARG 3 HA ARG 3 4.912 5.769 3.951
20 HB2 ARG 3 HB2 ARG 3 4.524 8.759 3.619
21 HB3 ARG 3 HB1 ARG 3 5.321 7.932 5.011
22 HG2 ARG 3 HG2 ARG 3 6.291 8.084 2.108
23 HG3 ARG 3 HG1 ARG 3 7.081 8.782 3.573
24 HD2 ARG 3 HD2 ARG 3 7.384 6.406 4.473
25 HD3 ARG 3 HD1 ARG 3 6.715 5.778 2.901
26 HE ARG 3 HE ARG 3 8.938 7.649 2.480
27 HH11 ARG 3 HH11 ARG 3 8.011 4.329 3.375
28 HH12 ARG 3 HH12 ARG 3 9.488 3.603 2.833
29 HH21 ARG 3 HH21 ARG 3 10.951 6.662 1.741
30 HH22 ARG 3 HH22 ARG 3 11.187 4.953 1.889
31 H ILE 4 HN ILE 4 2.191 6.477 2.319
32 HA ILE 4 HA ILE 4 0.027 6.474 2.892
33 HB ILE 4 HB ILE 4 0.504 5.741 5.731
34 HG12 ILE 4 HG12 ILE 4 2.330 4.566 4.704
35 HG13 ILE 4 HG11 ILE 4 1.044 3.378 5.084
36 HG21 ILE 4 HG21 ILE 4 -1.787 5.814 4.859
37 HG22 ILE 4 HG22 ILE 4 -1.356 4.077 5.089
38 HG23 ILE 4 HG23 ILE 4 -1.342 4.798 3.436
39 HD11 ILE 4 HD11 ILE 4 1.269 2.648 2.926
40 HD12 ILE 4 HD12 ILE 4 2.323 4.062 2.511
41 HD13 ILE 4 HD13 ILE 4 0.521 4.208 2.402
42 H SER 5 HN SER 5 1.989 8.428 3.238
43 HA SER 5 HA SER 5 0.376 10.320 4.229
44 HB2 SER 5 HB2 SER 5 1.924 11.262 6.096
45 HB3 SER 5 HB1 SER 5 0.984 9.793 6.568
46 HG SER 5 HG SER 5 2.799 8.552 6.004
47 H ARG 6 HN ARG 6 1.576 9.494 2.001
48 HA ARG 6 HA ARG 6 3.218 11.712 1.420
49 HB2 ARG 6 HB2 ARG 6 5.139 10.443 1.528
50 HB3 ARG 6 HB1 ARG 6 4.178 8.939 1.707
51 HG2 ARG 6 HG2 ARG 6 5.467 8.776 -0.350
52 HG3 ARG 6 HG1 ARG 6 3.724 8.956 -0.773
53 HD2 ARG 6 HD2 ARG 6 4.842 10.480 -2.259
54 HD3 ARG 6 HD1 ARG 6 4.251 11.544 -0.905
55 HE ARG 6 HE ARG 6 6.817 10.720 -0.106
56 HH11 ARG 6 HH11 ARG 6 5.364 12.341 -2.922
57 HH12 ARG 6 HH12 ARG 6 6.733 13.350 -3.245
58 HH21 ARG 6 HH21 ARG 6 8.686 12.095 -0.546
59 HH22 ARG 6 HH22 ARG 6 8.652 13.208 -1.872
60 H ILE 7 HN ILE 7 1.439 8.672 0.625
61 HA ILE 7 HA ILE 7 1.174 9.694 -2.103
62 HB ILE 7 HB ILE 7 -1.086 7.981 -1.529
63 HG12 ILE 7 HG12 ILE 7 0.429 5.893 -1.124
64 HG13 ILE 7 HG11 ILE 7 1.572 7.109 -0.430
65 HG21 ILE 7 HG21 ILE 7 1.486 7.619 -3.209
66 HG22 ILE 7 HG22 ILE 7 -0.083 8.321 -3.761
67 HG23 ILE 7 HG23 ILE 7 0.020 6.572 -3.327
68 HD11 ILE 7 HD11 ILE 7 -1.261 7.536 0.381
69 HD12 ILE 7 HD12 ILE 7 0.242 7.563 1.373
70 HD13 ILE 7 HD13 ILE 7 -0.551 5.982 0.985
71 H ILE 8 HN ILE 8 0.297 10.439 0.874
72 HA ILE 8 HA ILE 8 -2.412 10.908 0.260
73 HB ILE 8 HB ILE 8 -0.689 10.924 2.683
74 HG12 ILE 8 HG12 ILE 8 -3.283 9.481 1.881
75 HG13 ILE 8 HG11 ILE 8 -1.617 8.851 1.660
76 HG21 ILE 8 HG21 ILE 8 -2.039 12.802 3.314
77 HG22 ILE 8 HG22 ILE 8 -3.104 11.448 3.851
78 HG23 ILE 8 HG23 ILE 8 -3.430 12.282 2.286
79 HD11 ILE 8 HD11 ILE 8 -1.614 9.511 4.364
80 HD12 ILE 8 HD12 ILE 8 -1.917 7.864 3.690
81 HD13 ILE 8 HD13 ILE 8 -3.305 8.940 4.112
82 H LEU 9 HN LEU 9 -0.134 11.894 -0.906
83 HA LEU 9 HA LEU 9 -0.618 14.705 -1.033
84 HB2 LEU 9 HB2 LEU 9 2.181 13.563 -0.945
85 HB3 LEU 9 HB1 LEU 9 1.692 15.287 -0.707
86 HG LEU 9 HG LEU 9 1.140 12.983 1.167
87 HD11 LEU 9 HD11 LEU 9 3.091 15.311 1.688
88 HD12 LEU 9 HD12 LEU 9 3.623 13.796 0.867
89 HD13 LEU 9 HD13 LEU 9 2.973 13.731 2.551
90 HD21 LEU 9 HD21 LEU 9 -0.377 15.133 1.017
91 HD22 LEU 9 HD22 LEU 9 0.930 15.904 1.981
92 HD23 LEU 9 HD23 LEU 9 0.063 14.447 2.614
93 H DAS 10 HN DAS 10 0.928 11.769 -1.810
94 HA DAS 10 HA DAS 10 1.537 10.930 -3.718
95 HB2 DAS 10 HB2 DAS 10 1.057 13.423 -5.268
96 HB3 DAS 10 HB1 DAS 10 2.357 13.431 -4.039
97 H PHE 11 HN PHE 11 -1.346 12.162 -2.916
98 HA PHE 11 HA PHE 11 -2.602 11.333 -5.426
99 HB2 PHE 11 HB2 PHE 11 -4.176 9.961 -4.306
100 HB3 PHE 11 HB1 PHE 11 -2.716 9.707 -3.277
101 HD1 PHE 11 HD1 PHE 11 -5.983 9.899 -2.830
102 HD2 PHE 11 HD2 PHE 11 -2.532 12.116 -1.865
103 HE1 PHE 11 HE1 PHE 11 -7.106 10.865 -0.889
104 HE2 PHE 11 HE2 PHE 11 -3.571 13.063 -0.023
105 HZ PHE 11 HZ PHE 11 -5.920 12.466 0.564
106 H LEU 12 HN LEU 12 -1.760 13.808 -3.431
107 HA LEU 12 HA LEU 12 -4.364 14.883 -2.961
108 HB2 LEU 12 HB2 LEU 12 -1.548 15.726 -2.373
109 HB3 LEU 12 HB1 LEU 12 -2.868 16.945 -2.294
110 HG LEU 12 HG LEU 12 -2.610 14.386 -0.778
111 HD11 LEU 12 HD11 LEU 12 -2.081 15.829 1.126
112 HD12 LEU 12 HD12 LEU 12 -2.402 17.305 0.133
113 HD13 LEU 12 HD13 LEU 12 -1.000 16.229 -0.269
114 HD21 LEU 12 HD21 LEU 12 -4.974 14.771 -1.102
115 HD22 LEU 12 HD22 LEU 12 -4.795 16.535 -0.756
116 HD23 LEU 12 HD23 LEU 12 -4.582 15.327 0.570
117 H PHE 13 HN PHE 13 -1.305 15.814 -4.285
118 HA PHE 13 HA PHE 13 -2.648 18.087 -5.538
119 HB2 PHE 13 HB2 PHE 13 -0.077 17.566 -6.781
120 HB3 PHE 13 HB1 PHE 13 -0.491 18.934 -5.698
121 HD1 PHE 13 HD1 PHE 13 1.509 16.461 -6.329
122 HD2 PHE 13 HD2 PHE 13 -0.769 18.130 -3.202
123 HE1 PHE 13 HE1 PHE 13 2.775 15.217 -4.786
124 HE2 PHE 13 HE2 PHE 13 0.534 16.883 -1.605
125 HZ PHE 13 HZ PHE 13 2.282 15.429 -2.464
126 H LEU 14 HN LEU 14 -1.847 14.890 -5.662
127 HA LEU 14 HA LEU 14 -1.495 14.679 -8.443
128 HB2 LEU 14 HB2 LEU 14 -1.447 12.889 -6.086
129 HB3 LEU 14 HB1 LEU 14 -1.968 12.092 -7.626
130 HG LEU 14 HG LEU 14 0.592 12.190 -6.987
131 HD11 LEU 14 HD11 LEU 14 0.469 11.291 -9.084
132 HD12 LEU 14 HD12 LEU 14 0.871 12.947 -9.681
133 HD13 LEU 14 HD13 LEU 14 -0.855 12.416 -9.584
134 HD21 LEU 14 HD21 LEU 14 0.421 14.755 -6.574
135 HD22 LEU 14 HD22 LEU 14 0.435 14.930 -8.369
136 HD23 LEU 14 HD23 LEU 14 1.834 14.161 -7.526
137 H ARG 15 HN ARG 15 -4.048 15.060 -6.329
138 HA ARG 15 HA ARG 15 -6.044 13.805 -7.943
139 HB2 ARG 15 HB2 ARG 15 -5.583 14.716 -5.323
140 HB3 ARG 15 HB1 ARG 15 -6.944 15.678 -5.959
141 HG2 ARG 15 HG2 ARG 15 -8.407 13.905 -5.962
142 HG3 ARG 15 HG1 ARG 15 -7.137 12.714 -6.418
143 HD2 ARG 15 HD2 ARG 15 -8.234 12.913 -3.860
144 HD3 ARG 15 HD1 ARG 15 -6.588 12.250 -4.248
145 HE ARG 15 HE ARG 15 -5.682 14.033 -3.125
146 HH11 ARG 15 HH11 ARG 15 -8.904 14.999 -4.271
147 HH12 ARG 15 HH12 ARG 15 -8.723 16.665 -3.835
148 HH21 ARG 15 HH21 ARG 15 -5.344 16.279 -2.719
149 HH22 ARG 15 HH22 ARG 15 -6.641 17.415 -2.930
150 H LYS 16 HN LYS 16 -4.846 16.784 -6.701
151 HA LYS 16 HA LYS 16 -6.757 18.477 -7.878
152 HB2 LYS 16 HB2 LYS 16 -4.199 18.685 -6.232
153 HB3 LYS 16 HB1 LYS 16 -5.048 20.159 -6.817
154 HG2 LYS 16 HG2 LYS 16 -7.011 19.649 -5.494
155 HG3 LYS 16 HG1 LYS 16 -6.381 18.017 -5.080
156 HD2 LYS 16 HD2 LYS 16 -4.511 18.994 -3.804
157 HD3 LYS 16 HD1 LYS 16 -4.980 20.650 -4.327
158 HE2 LYS 16 HE2 LYS 16 -6.851 18.833 -2.668
159 HE3 LYS 16 HE1 LYS 16 -5.697 20.019 -1.933
160 HZ1 LYS 16 HZ1 LYS 16 -8.244 20.465 -2.939
161 HZ2 LYS 16 HZ2 LYS 16 -7.169 21.258 -3.987
162 HZ3 LYS 16 HZ3 LYS 16 -7.136 21.596 -2.323
163 H LYS 17 HN LYS 17 -5.000 20.555 -8.365
164 HA LYS 17 HA LYS 17 -3.965 21.469 -9.983
165 HB2 LYS 17 HB2 LYS 17 -2.263 19.084 -9.384
166 HB3 LYS 17 HB1 LYS 17 -1.895 19.937 -10.923
167 HG2 LYS 17 HG2 LYS 17 -0.711 21.467 -9.765
168 HG3 LYS 17 HG1 LYS 17 -2.235 22.004 -8.977
169 HD2 LYS 17 HD2 LYS 17 -0.781 19.554 -7.889
170 HD3 LYS 17 HD1 LYS 17 -0.128 21.189 -7.533
171 HE2 LYS 17 HE2 LYS 17 -3.065 20.402 -6.978
172 HE3 LYS 17 HE1 LYS 17 -1.749 20.242 -5.754
173 HZ1 LYS 17 HZ1 LYS 17 -3.231 22.421 -6.112
174 HZ2 LYS 17 HZ2 LYS 17 -1.904 22.809 -7.098
175 HZ3 LYS 17 HZ3 LYS 17 -1.663 22.427 -5.462
Start of MODEL 12
1 H1 GLU 1 HT1 GLU 1 8.559 5.448 3.544
2 H2 GLU 1 HT2 GLU 1 9.730 6.197 2.567
3 H3 GLU 1 HT3 GLU 1 10.154 4.862 3.528
4 HA GLU 1 HA GLU 1 9.165 4.920 0.912
5 HB2 GLU 1 HB2 GLU 1 9.998 2.712 2.872
6 HB3 GLU 1 HB1 GLU 1 9.603 2.378 1.148
7 HG2 GLU 1 HG2 GLU 1 11.460 3.818 0.375
8 HG3 GLU 1 HG1 GLU 1 11.810 4.340 2.070
9 H MET 2 HN MET 2 6.899 5.821 2.053
10 HA MET 2 HA MET 2 5.191 3.449 1.949
11 HB2 MET 2 HB2 MET 2 5.106 5.750 3.953
12 HB3 MET 2 HB1 MET 2 3.617 4.839 3.531
13 HG2 MET 2 HG2 MET 2 4.713 2.711 4.232
14 HG3 MET 2 HG1 MET 2 6.200 3.618 4.660
15 HE1 MET 2 HE1 MET 2 5.861 2.114 6.795
16 HE2 MET 2 HE2 MET 2 4.198 1.583 6.364
17 HE3 MET 2 HE3 MET 2 4.525 2.285 7.986
18 H ARG 3 HN ARG 3 3.207 3.742 0.883
19 HA ARG 3 HA ARG 3 3.005 6.320 -0.450
20 HB2 ARG 3 HB2 ARG 3 1.702 5.089 -2.264
21 HB3 ARG 3 HB1 ARG 3 3.452 4.691 -2.214
22 HG2 ARG 3 HG2 ARG 3 1.375 3.004 -0.728
23 HG3 ARG 3 HG1 ARG 3 1.739 2.741 -2.468
24 HD2 ARG 3 HD2 ARG 3 4.288 2.632 -1.636
25 HD3 ARG 3 HD1 ARG 3 3.531 2.288 -0.021
26 HE ARG 3 HE ARG 3 2.277 0.593 -1.973
27 HH11 ARG 3 HH11 ARG 3 5.420 1.181 -0.403
28 HH12 ARG 3 HH12 ARG 3 5.944 -0.468 -0.490
29 HH21 ARG 3 HH21 ARG 3 2.989 -1.648 -2.092
30 HH22 ARG 3 HH22 ARG 3 4.538 -2.102 -1.467
31 H ILE 4 HN ILE 4 2.196 5.871 2.073
32 HA ILE 4 HA ILE 4 -0.634 6.363 1.798
33 HB ILE 4 HB ILE 4 -0.437 5.032 4.230
34 HG12 ILE 4 HG12 ILE 4 1.851 4.234 3.164
35 HG13 ILE 4 HG11 ILE 4 0.810 3.077 4.064
36 HG21 ILE 4 HG21 ILE 4 -1.756 3.181 2.900
37 HG22 ILE 4 HG22 ILE 4 -1.520 4.252 1.466
38 HG23 ILE 4 HG23 ILE 4 -2.420 4.859 2.906
39 HD11 ILE 4 HD11 ILE 4 1.849 2.492 1.628
40 HD12 ILE 4 HD12 ILE 4 0.362 3.342 1.063
41 HD13 ILE 4 HD13 ILE 4 0.225 1.888 2.129
42 H SER 5 HN SER 5 1.909 7.514 1.919
43 HA SER 5 HA SER 5 1.605 9.210 4.218
44 HB2 SER 5 HB2 SER 5 3.321 7.402 4.944
45 HB3 SER 5 HB1 SER 5 4.364 8.026 3.604
46 HG SER 5 HG SER 5 3.814 10.159 4.733
47 H ARG 6 HN ARG 6 2.893 8.310 1.099
48 HA ARG 6 HA ARG 6 3.542 11.071 0.635
49 HB2 ARG 6 HB2 ARG 6 5.178 10.267 -0.766
50 HB3 ARG 6 HB1 ARG 6 4.970 8.774 0.218
51 HG2 ARG 6 HG2 ARG 6 4.730 7.867 -1.926
52 HG3 ARG 6 HG1 ARG 6 3.008 8.243 -1.554
53 HD2 ARG 6 HD2 ARG 6 3.569 9.037 -3.843
54 HD3 ARG 6 HD1 ARG 6 3.272 10.461 -2.758
55 HE ARG 6 HE ARG 6 5.572 11.020 -2.883
56 HH11 ARG 6 HH11 ARG 6 4.926 7.824 -4.332
57 HH12 ARG 6 HH12 ARG 6 6.498 7.655 -5.038
58 HH21 ARG 6 HH21 ARG 6 7.711 10.783 -3.844
59 HH22 ARG 6 HH22 ARG 6 8.106 9.365 -4.755
60 H ILE 7 HN ILE 7 1.294 8.531 0.340
61 HA ILE 7 HA ILE 7 0.283 9.366 -2.133
62 HB ILE 7 HB ILE 7 -0.123 7.328 -0.169
63 HG12 ILE 7 HG12 ILE 7 0.746 6.917 -2.318
64 HG13 ILE 7 HG11 ILE 7 -0.880 6.109 -2.223
65 HG21 ILE 7 HG21 ILE 7 -2.284 8.453 0.308
66 HG22 ILE 7 HG22 ILE 7 -2.538 6.861 -0.497
67 HG23 ILE 7 HG23 ILE 7 -2.700 8.381 -1.450
68 HD11 ILE 7 HD11 ILE 7 -0.015 8.409 -3.854
69 HD12 ILE 7 HD12 ILE 7 -1.442 8.813 -2.802
70 HD13 ILE 7 HD13 ILE 7 -1.530 7.421 -3.993
71 H ILE 8 HN ILE 8 0.458 10.384 0.774
72 HA ILE 8 HA ILE 8 -2.210 11.232 0.767
73 HB ILE 8 HB ILE 8 0.001 10.632 2.504
74 HG12 ILE 8 HG12 ILE 8 -3.011 10.184 2.681
75 HG13 ILE 8 HG11 ILE 8 -1.770 9.101 1.947
76 HG21 ILE 8 HG21 ILE 8 -2.093 12.806 3.236
77 HG22 ILE 8 HG22 ILE 8 -0.304 12.853 3.474
78 HG23 ILE 8 HG23 ILE 8 -1.328 11.805 4.525
79 HD11 ILE 8 HD11 ILE 8 -1.895 8.096 4.030
80 HD12 ILE 8 HD12 ILE 8 -2.370 9.624 4.871
81 HD13 ILE 8 HD13 ILE 8 -0.649 9.345 4.403
82 H LEU 9 HN LEU 9 -0.161 11.821 -0.904
83 HA LEU 9 HA LEU 9 -0.175 14.684 -1.044
84 HB2 LEU 9 HB2 LEU 9 2.301 13.091 -1.689
85 HB3 LEU 9 HB1 LEU 9 2.195 14.854 -1.345
86 HG LEU 9 HG LEU 9 1.816 12.609 0.625
87 HD11 LEU 9 HD11 LEU 9 4.042 13.082 1.483
88 HD12 LEU 9 HD12 LEU 9 4.172 14.593 0.506
89 HD13 LEU 9 HD13 LEU 9 4.207 12.987 -0.312
90 HD21 LEU 9 HD21 LEU 9 2.289 15.470 1.496
91 HD22 LEU 9 HD22 LEU 9 1.369 14.132 2.296
92 HD23 LEU 9 HD23 LEU 9 0.671 14.985 0.880
93 H DAS 10 HN DAS 10 0.476 11.487 -2.051
94 HA DAS 10 HA DAS 10 0.351 10.532 -3.970
95 HB2 DAS 10 HB2 DAS 10 0.071 13.033 -5.551
96 HB3 DAS 10 HB1 DAS 10 1.582 12.823 -4.620
97 H PHE 11 HN PHE 11 -1.834 12.511 -2.624
98 HA PHE 11 HA PHE 11 -3.905 11.999 -4.604
99 HB2 PHE 11 HB2 PHE 11 -5.272 10.768 -3.095
100 HB3 PHE 11 HB1 PHE 11 -3.636 10.259 -2.516
101 HD1 PHE 11 HD1 PHE 11 -6.579 10.928 -1.155
102 HD2 PHE 11 HD2 PHE 11 -2.692 12.541 -1.257
103 HE1 PHE 11 HE1 PHE 11 -6.954 12.054 0.967
104 HE2 PHE 11 HE2 PHE 11 -3.010 13.640 0.725
105 HZ PHE 11 HZ PHE 11 -5.169 13.436 1.980
106 H LEU 12 HN LEU 12 -2.032 14.168 -3.236
107 HA LEU 12 HA LEU 12 -4.114 15.763 -2.004
108 HB2 LEU 12 HB2 LEU 12 -1.116 15.848 -2.135
109 HB3 LEU 12 HB1 LEU 12 -2.017 17.371 -1.805
110 HG LEU 12 HG LEU 12 -2.073 14.807 -0.277
111 HD11 LEU 12 HD11 LEU 12 -0.000 16.228 -0.238
112 HD12 LEU 12 HD12 LEU 12 -0.785 16.031 1.386
113 HD13 LEU 12 HD13 LEU 12 -0.987 17.573 0.465
114 HD21 LEU 12 HD21 LEU 12 -4.267 15.649 -0.004
115 HD22 LEU 12 HD22 LEU 12 -3.715 17.365 -0.048
116 HD23 LEU 12 HD23 LEU 12 -3.390 16.349 1.413
117 H PHE 13 HN PHE 13 -1.337 15.945 -4.088
118 HA PHE 13 HA PHE 13 -2.467 18.481 -5.078
119 HB2 PHE 13 HB2 PHE 13 -0.316 17.698 -6.791
120 HB3 PHE 13 HB1 PHE 13 -0.241 18.966 -5.523
121 HD1 PHE 13 HD1 PHE 13 0.830 16.088 -6.773
122 HD2 PHE 13 HD2 PHE 13 0.118 18.127 -3.159
123 HE1 PHE 13 HE1 PHE 13 2.145 14.496 -5.660
124 HE2 PHE 13 HE2 PHE 13 1.488 16.515 -2.008
125 HZ PHE 13 HZ PHE 13 2.456 14.691 -3.309
126 H LEU 14 HN LEU 14 -2.335 15.149 -5.308
127 HA LEU 14 HA LEU 14 -2.440 14.964 -8.117
128 HB2 LEU 14 HB2 LEU 14 -2.574 13.127 -5.793
129 HB3 LEU 14 HB1 LEU 14 -3.581 12.587 -7.204
130 HG LEU 14 HG LEU 14 -0.994 11.918 -6.978
131 HD11 LEU 14 HD11 LEU 14 -1.904 10.986 -8.872
132 HD12 LEU 14 HD12 LEU 14 -0.982 12.292 -9.709
133 HD13 LEU 14 HD13 LEU 14 -2.740 12.511 -9.358
134 HD21 LEU 14 HD21 LEU 14 -0.314 14.424 -6.839
135 HD22 LEU 14 HD22 LEU 14 -0.654 14.501 -8.611
136 HD23 LEU 14 HD23 LEU 14 0.614 13.384 -7.982
137 H ARG 15 HN ARG 15 -4.347 16.500 -6.188
138 HA ARG 15 HA ARG 15 -6.814 15.686 -7.437
139 HB2 ARG 15 HB2 ARG 15 -5.950 16.496 -4.827
140 HB3 ARG 15 HB1 ARG 15 -7.077 17.756 -5.448
141 HG2 ARG 15 HG2 ARG 15 -8.857 16.446 -4.932
142 HG3 ARG 15 HG1 ARG 15 -8.247 15.163 -6.040
143 HD2 ARG 15 HD2 ARG 15 -6.606 15.124 -3.642
144 HD3 ARG 15 HD1 ARG 15 -8.347 15.129 -3.135
145 HE ARG 15 HE ARG 15 -8.569 12.970 -4.071
146 HH11 ARG 15 HH11 ARG 15 -5.647 14.537 -5.338
147 HH12 ARG 15 HH12 ARG 15 -4.980 13.080 -6.002
148 HH21 ARG 15 HH21 ARG 15 -7.656 10.999 -4.930
149 HH22 ARG 15 HH22 ARG 15 -6.140 11.042 -5.768
150 H LYS 16 HN LYS 16 -4.373 18.069 -6.916
151 HA LYS 16 HA LYS 16 -5.656 20.347 -7.834
152 HB2 LYS 16 HB2 LYS 16 -2.757 19.417 -7.752
153 HB3 LYS 16 HB1 LYS 16 -3.214 21.063 -8.323
154 HG2 LYS 16 HG2 LYS 16 -4.268 21.518 -6.114
155 HG3 LYS 16 HG1 LYS 16 -3.839 19.854 -5.581
156 HD2 LYS 16 HD2 LYS 16 -1.445 20.337 -5.853
157 HD3 LYS 16 HD1 LYS 16 -1.820 21.978 -6.484
158 HE2 LYS 16 HE2 LYS 16 -2.836 22.598 -4.263
159 HE3 LYS 16 HE1 LYS 16 -2.460 20.938 -3.638
160 HZ1 LYS 16 HZ1 LYS 16 -0.827 23.177 -3.689
161 HZ2 LYS 16 HZ2 LYS 16 -0.159 22.080 -4.801
162 HZ3 LYS 16 HZ3 LYS 16 -0.438 21.600 -3.195
163 H LYS 17 HN LYS 17 -3.862 17.703 -9.359
164 HA LYS 17 HA LYS 17 -4.355 18.967 -11.919
165 HB2 LYS 17 HB2 LYS 17 -2.727 16.461 -11.234
166 HB3 LYS 17 HB1 LYS 17 -2.927 17.128 -12.893
167 HG2 LYS 17 HG2 LYS 17 -1.262 18.622 -12.582
168 HG3 LYS 17 HG1 LYS 17 -2.016 19.241 -11.072
169 HD2 LYS 17 HD2 LYS 17 -0.658 16.552 -10.880
170 HD3 LYS 17 HD1 LYS 17 0.414 17.964 -11.175
171 HE2 LYS 17 HE2 LYS 17 -1.580 18.608 -9.075
172 HE3 LYS 17 HE1 LYS 17 -0.660 17.102 -8.659
173 HZ1 LYS 17 HZ1 LYS 17 0.315 19.320 -7.997
174 HZ2 LYS 17 HZ2 LYS 17 0.692 19.560 -9.634
175 HZ3 LYS 17 HZ3 LYS 17 1.348 18.236 -8.798
Start of MODEL 13
1 H1 GLU 1 HT1 GLU 1 8.765 3.962 2.748
2 H2 GLU 1 HT2 GLU 1 10.242 4.772 2.528
3 H3 GLU 1 HT3 GLU 1 9.440 4.092 1.193
4 HA GLU 1 HA GLU 1 8.997 6.583 2.572
5 HB2 GLU 1 HB2 GLU 1 9.826 6.303 0.172
6 HB3 GLU 1 HB1 GLU 1 8.220 5.602 -0.236
7 HG2 GLU 1 HG2 GLU 1 7.087 7.743 0.368
8 HG3 GLU 1 HG1 GLU 1 8.670 8.458 0.874
9 H MET 2 HN MET 2 7.085 3.807 1.324
10 HA MET 2 HA MET 2 5.020 3.163 1.793
11 HB2 MET 2 HB2 MET 2 5.478 4.967 4.038
12 HB3 MET 2 HB1 MET 2 3.813 5.223 3.412
13 HG2 MET 2 HG2 MET 2 3.622 3.541 5.088
14 HG3 MET 2 HG1 MET 2 3.480 2.692 3.516
15 HE1 MET 2 HE1 MET 2 6.714 2.515 6.763
16 HE2 MET 2 HE2 MET 2 5.199 3.478 6.657
17 HE3 MET 2 HE3 MET 2 6.665 4.005 5.758
18 H ARG 3 HN ARG 3 2.882 3.531 0.972
19 HA ARG 3 HA ARG 3 2.728 6.028 -0.514
20 HB2 ARG 3 HB2 ARG 3 1.257 4.822 -2.173
21 HB3 ARG 3 HB1 ARG 3 2.954 4.238 -2.179
22 HG2 ARG 3 HG2 ARG 3 0.792 2.872 -0.498
23 HG3 ARG 3 HG1 ARG 3 1.031 2.476 -2.234
24 HD2 ARG 3 HD2 ARG 3 3.586 2.117 -1.540
25 HD3 ARG 3 HD1 ARG 3 2.911 1.984 0.142
26 HE ARG 3 HE ARG 3 1.331 0.310 -1.568
27 HH11 ARG 3 HH11 ARG 3 4.650 0.632 -0.317
28 HH12 ARG 3 HH12 ARG 3 4.981 -1.068 -0.323
29 HH21 ARG 3 HH21 ARG 3 1.781 -2.001 -1.577
30 HH22 ARG 3 HH22 ARG 3 3.323 -2.589 -1.052
31 H ILE 4 HN ILE 4 2.077 5.754 2.100
32 HA ILE 4 HA ILE 4 -0.728 6.431 1.975
33 HB ILE 4 HB ILE 4 -0.416 5.190 4.464
34 HG12 ILE 4 HG12 ILE 4 1.669 4.143 3.232
35 HG13 ILE 4 HG11 ILE 4 0.599 3.105 4.240
36 HG21 ILE 4 HG21 ILE 4 -2.044 3.451 3.364
37 HG22 ILE 4 HG22 ILE 4 -1.842 4.421 1.854
38 HG23 ILE 4 HG23 ILE 4 -2.530 5.188 3.334
39 HD11 ILE 4 HD11 ILE 4 -0.170 3.347 1.326
40 HD12 ILE 4 HD12 ILE 4 -0.178 1.902 2.409
41 HD13 ILE 4 HD13 ILE 4 1.366 2.475 1.674
42 H SER 5 HN SER 5 1.910 7.398 1.903
43 HA SER 5 HA SER 5 1.829 9.211 4.135
44 HB2 SER 5 HB2 SER 5 4.355 7.592 3.486
45 HB3 SER 5 HB1 SER 5 4.307 9.026 4.590
46 HG SER 5 HG SER 5 2.388 7.303 5.283
47 H ARG 6 HN ARG 6 2.841 8.119 0.992
48 HA ARG 6 HA ARG 6 3.658 10.808 0.389
49 HB2 ARG 6 HB2 ARG 6 5.166 9.851 -1.059
50 HB3 ARG 6 HB1 ARG 6 4.919 8.411 -0.008
51 HG2 ARG 6 HG2 ARG 6 4.515 7.446 -2.104
52 HG3 ARG 6 HG1 ARG 6 2.840 7.934 -1.653
53 HD2 ARG 6 HD2 ARG 6 3.308 8.617 -3.995
54 HD3 ARG 6 HD1 ARG 6 3.167 10.095 -2.951
55 HE ARG 6 HE ARG 6 5.495 10.486 -3.210
56 HH11 ARG 6 HH11 ARG 6 4.529 7.332 -4.570
57 HH12 ARG 6 HH12 ARG 6 6.032 7.051 -5.384
58 HH21 ARG 6 HH21 ARG 6 7.537 10.097 -4.313
59 HH22 ARG 6 HH22 ARG 6 7.770 8.650 -5.234
60 H ILE 7 HN ILE 7 1.244 8.400 0.309
61 HA ILE 7 HA ILE 7 0.166 9.202 -2.146
62 HB ILE 7 HB ILE 7 -0.278 7.276 -0.076
63 HG12 ILE 7 HG12 ILE 7 0.467 6.714 -2.236
64 HG13 ILE 7 HG11 ILE 7 -1.205 6.025 -2.040
65 HG21 ILE 7 HG21 ILE 7 -2.833 8.447 -1.301
66 HG22 ILE 7 HG22 ILE 7 -2.341 8.563 0.433
67 HG23 ILE 7 HG23 ILE 7 -2.733 6.960 -0.287
68 HD11 ILE 7 HD11 ILE 7 -1.837 7.305 -3.843
69 HD12 ILE 7 HD12 ILE 7 -0.254 8.188 -3.806
70 HD13 ILE 7 HD13 ILE 7 -1.611 8.730 -2.721
71 H ILE 8 HN ILE 8 0.537 10.313 0.713
72 HA ILE 8 HA ILE 8 -2.072 11.321 0.786
73 HB ILE 8 HB ILE 8 0.182 10.661 2.445
74 HG12 ILE 8 HG12 ILE 8 -2.840 10.385 2.776
75 HG13 ILE 8 HG11 ILE 8 -1.695 9.210 2.026
76 HG21 ILE 8 HG21 ILE 8 0.039 12.928 3.343
77 HG22 ILE 8 HG22 ILE 8 -0.997 11.980 4.475
78 HG23 ILE 8 HG23 ILE 8 -1.757 12.975 3.178
79 HD11 ILE 8 HD11 ILE 8 -2.160 9.832 4.944
80 HD12 ILE 8 HD12 ILE 8 -0.455 9.521 4.438
81 HD13 ILE 8 HD13 ILE 8 -1.726 8.277 4.132
82 H LEU 9 HN LEU 9 -0.075 11.724 -0.999
83 HA LEU 9 HA LEU 9 0.069 14.575 -1.255
84 HB2 LEU 9 HB2 LEU 9 2.418 12.814 -1.938
85 HB3 LEU 9 HB1 LEU 9 2.430 14.591 -1.661
86 HG LEU 9 HG LEU 9 2.009 12.449 0.413
87 HD11 LEU 9 HD11 LEU 9 4.467 14.284 0.109
88 HD12 LEU 9 HD12 LEU 9 4.373 12.645 -0.636
89 HD13 LEU 9 HD13 LEU 9 4.294 12.828 1.159
90 HD21 LEU 9 HD21 LEU 9 1.706 14.058 2.031
91 HD22 LEU 9 HD22 LEU 9 1.023 14.906 0.606
92 HD23 LEU 9 HD23 LEU 9 2.689 15.301 1.159
93 H DAS 10 HN DAS 10 0.487 11.310 -2.158
94 HA DAS 10 HA DAS 10 0.217 10.288 -4.027
95 HB2 DAS 10 HB2 DAS 10 0.016 12.746 -5.688
96 HB3 DAS 10 HB1 DAS 10 1.559 12.452 -4.836
97 H PHE 11 HN PHE 11 -1.781 12.442 -2.668
98 HA PHE 11 HA PHE 11 -3.967 11.980 -4.532
99 HB2 PHE 11 HB2 PHE 11 -5.331 10.889 -2.917
100 HB3 PHE 11 HB1 PHE 11 -3.702 10.309 -2.385
101 HD1 PHE 11 HD1 PHE 11 -6.542 11.209 -0.937
102 HD2 PHE 11 HD2 PHE 11 -2.573 12.575 -1.263
103 HE1 PHE 11 HE1 PHE 11 -6.756 12.442 1.148
104 HE2 PHE 11 HE2 PHE 11 -2.739 13.772 0.679
105 HZ PHE 11 HZ PHE 11 -4.849 13.751 2.029
106 H LEU 12 HN LEU 12 -1.909 14.083 -3.339
107 HA LEU 12 HA LEU 12 -3.837 15.844 -2.085
108 HB2 LEU 12 HB2 LEU 12 -0.850 15.746 -2.354
109 HB3 LEU 12 HB1 LEU 12 -1.644 17.334 -2.057
110 HG LEU 12 HG LEU 12 -1.781 14.846 -0.410
111 HD11 LEU 12 HD11 LEU 12 0.372 16.141 -0.532
112 HD12 LEU 12 HD12 LEU 12 -0.343 16.048 1.134
113 HD13 LEU 12 HD13 LEU 12 -0.500 17.567 0.166
114 HD21 LEU 12 HD21 LEU 12 -3.907 15.838 -0.089
115 HD22 LEU 12 HD22 LEU 12 -3.247 17.513 -0.214
116 HD23 LEU 12 HD23 LEU 12 -2.926 16.524 1.265
117 H PHE 13 HN PHE 13 -1.155 15.789 -4.291
118 HA PHE 13 HA PHE 13 -2.161 18.346 -5.334
119 HB2 PHE 13 HB2 PHE 13 -0.171 17.306 -7.120
120 HB3 PHE 13 HB1 PHE 13 0.053 18.650 -5.950
121 HD1 PHE 13 HD1 PHE 13 0.905 15.659 -7.069
122 HD2 PHE 13 HD2 PHE 13 0.456 17.901 -3.533
123 HE1 PHE 13 HE1 PHE 13 2.177 14.043 -5.933
124 HE2 PHE 13 HE2 PHE 13 1.783 16.268 -2.357
125 HZ PHE 13 HZ PHE 13 2.597 14.333 -3.608
126 H LEU 14 HN LEU 14 -2.235 15.011 -5.445
127 HA LEU 14 HA LEU 14 -2.551 14.723 -8.220
128 HB2 LEU 14 HB2 LEU 14 -2.646 12.995 -5.808
129 HB3 LEU 14 HB1 LEU 14 -3.751 12.454 -7.144
130 HG LEU 14 HG LEU 14 -1.203 11.652 -7.026
131 HD11 LEU 14 HD11 LEU 14 -1.288 11.936 -9.759
132 HD12 LEU 14 HD12 LEU 14 -3.010 12.299 -9.351
133 HD13 LEU 14 HD13 LEU 14 -2.273 10.729 -8.846
134 HD21 LEU 14 HD21 LEU 14 -0.397 14.128 -6.987
135 HD22 LEU 14 HD22 LEU 14 -0.795 14.165 -8.748
136 HD23 LEU 14 HD23 LEU 14 0.438 13.006 -8.124
137 H ARG 15 HN ARG 15 -4.257 16.356 -6.107
138 HA ARG 15 HA ARG 15 -6.826 15.711 -7.253
139 HB2 ARG 15 HB2 ARG 15 -5.820 16.289 -4.647
140 HB3 ARG 15 HB1 ARG 15 -6.850 17.683 -5.135
141 HG2 ARG 15 HG2 ARG 15 -8.749 16.503 -4.719
142 HG3 ARG 15 HG1 ARG 15 -8.224 15.190 -5.836
143 HD2 ARG 15 HD2 ARG 15 -6.636 15.070 -3.382
144 HD3 ARG 15 HD1 ARG 15 -8.397 15.084 -2.964
145 HE ARG 15 HE ARG 15 -8.576 12.934 -3.917
146 HH11 ARG 15 HH11 ARG 15 -5.667 14.541 -5.178
147 HH12 ARG 15 HH12 ARG 15 -5.007 13.107 -5.890
148 HH21 ARG 15 HH21 ARG 15 -7.666 10.991 -4.850
149 HH22 ARG 15 HH22 ARG 15 -6.159 11.064 -5.700
150 H LYS 16 HN LYS 16 -4.312 18.007 -6.603
151 HA LYS 16 HA LYS 16 -5.542 20.353 -7.407
152 HB2 LYS 16 HB2 LYS 16 -2.667 19.343 -7.397
153 HB3 LYS 16 HB1 LYS 16 -3.083 21.033 -7.874
154 HG2 LYS 16 HG2 LYS 16 -4.095 21.405 -5.634
155 HG3 LYS 16 HG1 LYS 16 -3.730 19.702 -5.188
156 HD2 LYS 16 HD2 LYS 16 -1.304 20.124 -5.483
157 HD3 LYS 16 HD1 LYS 16 -1.648 21.821 -5.961
158 HE2 LYS 16 HE2 LYS 16 -2.370 20.590 -3.213
159 HE3 LYS 16 HE1 LYS 16 -0.910 21.613 -3.543
160 HZ1 LYS 16 HZ1 LYS 16 -2.197 23.315 -3.114
161 HZ2 LYS 16 HZ2 LYS 16 -3.609 22.372 -3.082
162 HZ3 LYS 16 HZ3 LYS 16 -3.048 23.011 -4.551
163 H LYS 17 HN LYS 17 -3.836 17.737 -9.046
164 HA LYS 17 HA LYS 17 -4.207 19.148 -11.549
165 HB2 LYS 17 HB2 LYS 17 -2.452 16.855 -10.632
166 HB3 LYS 17 HB1 LYS 17 -2.940 16.903 -12.364
167 HG2 LYS 17 HG2 LYS 17 -1.353 18.443 -12.801
168 HG3 LYS 17 HG1 LYS 17 -2.101 19.574 -11.619
169 HD2 LYS 17 HD2 LYS 17 -0.062 17.364 -10.947
170 HD3 LYS 17 HD1 LYS 17 0.309 19.113 -11.126
171 HE2 LYS 17 HE2 LYS 17 -1.809 19.114 -9.226
172 HE3 LYS 17 HE1 LYS 17 -0.858 17.633 -8.804
173 HZ1 LYS 17 HZ1 LYS 17 0.439 20.251 -9.321
174 HZ2 LYS 17 HZ2 LYS 17 1.059 18.889 -8.521
175 HZ3 LYS 17 HZ3 LYS 17 -0.163 19.818 -7.795
Start of MODEL 14
1 H1 GLU 1 HT1 GLU 1 8.502 4.776 1.122
2 H2 GLU 1 HT2 GLU 1 10.153 4.421 1.302
3 H3 GLU 1 HT3 GLU 1 9.459 5.695 2.183
4 HA GLU 1 HA GLU 1 9.524 2.893 2.726
5 HB2 GLU 1 HB2 GLU 1 10.453 4.703 4.214
6 HB3 GLU 1 HB1 GLU 1 8.787 5.352 4.418
7 HG2 GLU 1 HG2 GLU 1 8.067 3.226 5.535
8 HG3 GLU 1 HG1 GLU 1 9.719 2.531 5.295
9 H MET 2 HN MET 2 6.969 5.462 2.578
10 HA MET 2 HA MET 2 5.042 3.275 2.601
11 HB2 MET 2 HB2 MET 2 5.208 5.547 4.562
12 HB3 MET 2 HB1 MET 2 3.582 5.256 3.852
13 HG2 MET 2 HG2 MET 2 3.784 2.820 4.529
14 HG3 MET 2 HG1 MET 2 5.326 3.215 5.355
15 HE1 MET 2 HE1 MET 2 4.590 5.170 8.415
16 HE2 MET 2 HE2 MET 2 5.141 5.834 6.838
17 HE3 MET 2 HE3 MET 2 5.709 4.216 7.380
18 H ARG 3 HN ARG 3 3.150 3.691 1.385
19 HA ARG 3 HA ARG 3 3.361 6.099 -0.240
20 HB2 ARG 3 HB2 ARG 3 2.529 3.253 -0.919
21 HB3 ARG 3 HB1 ARG 3 1.796 4.633 -1.816
22 HG2 ARG 3 HG2 ARG 3 3.683 4.038 -3.123
23 HG3 ARG 3 HG1 ARG 3 4.195 5.482 -2.172
24 HD2 ARG 3 HD2 ARG 3 5.502 4.157 -0.629
25 HD3 ARG 3 HD1 ARG 3 4.779 2.602 -1.233
26 HE ARG 3 HE ARG 3 6.036 3.924 -3.453
27 HH11 ARG 3 HH11 ARG 3 6.805 2.397 -0.329
28 HH12 ARG 3 HH12 ARG 3 8.384 1.867 -0.801
29 HH21 ARG 3 HH21 ARG 3 8.186 3.201 -4.097
30 HH22 ARG 3 HH22 ARG 3 9.182 2.333 -2.979
31 H ILE 4 HN ILE 4 2.460 5.950 2.259
32 HA ILE 4 HA ILE 4 -0.350 6.609 1.885
33 HB ILE 4 HB ILE 4 0.101 5.528 4.534
34 HG12 ILE 4 HG12 ILE 4 1.865 4.208 3.194
35 HG13 ILE 4 HG11 ILE 4 0.675 3.262 4.153
36 HG21 ILE 4 HG21 ILE 4 -1.880 4.034 3.713
37 HG22 ILE 4 HG22 ILE 4 -1.751 4.929 2.151
38 HG23 ILE 4 HG23 ILE 4 -2.127 5.821 3.673
39 HD11 ILE 4 HD11 ILE 4 1.311 2.905 1.414
40 HD12 ILE 4 HD12 ILE 4 -0.279 3.753 1.377
41 HD13 ILE 4 HD13 ILE 4 -0.108 2.196 2.279
42 H SER 5 HN SER 5 2.298 7.707 1.940
43 HA SER 5 HA SER 5 1.843 9.828 3.756
44 HB2 SER 5 HB2 SER 5 4.101 9.761 4.878
45 HB3 SER 5 HB1 SER 5 3.127 8.310 5.342
46 HG SER 5 HG SER 5 5.168 8.517 3.377
47 H ARG 6 HN ARG 6 1.828 9.092 1.022
48 HA ARG 6 HA ARG 6 3.533 11.053 0.028
49 HB2 ARG 6 HB2 ARG 6 5.252 9.744 -0.670
50 HB3 ARG 6 HB1 ARG 6 4.464 8.336 0.121
51 HG2 ARG 6 HG2 ARG 6 4.721 7.670 -2.144
52 HG3 ARG 6 HG1 ARG 6 3.003 8.164 -2.007
53 HD2 ARG 6 HD2 ARG 6 3.746 9.222 -4.034
54 HD3 ARG 6 HD1 ARG 6 3.814 10.534 -2.781
55 HE ARG 6 HE ARG 6 6.175 10.506 -2.899
56 HH11 ARG 6 HH11 ARG 6 4.768 7.722 -4.627
57 HH12 ARG 6 HH12 ARG 6 6.259 7.227 -5.356
58 HH21 ARG 6 HH21 ARG 6 8.198 9.830 -3.895
59 HH22 ARG 6 HH22 ARG 6 8.240 8.445 -4.932
60 H ILE 7 HN ILE 7 1.084 8.490 -0.117
61 HA ILE 7 HA ILE 7 0.097 9.350 -2.694
62 HB ILE 7 HB ILE 7 -0.782 7.505 -0.507
63 HG12 ILE 7 HG12 ILE 7 -0.597 5.835 -2.077
64 HG13 ILE 7 HG11 ILE 7 -0.773 6.990 -3.459
65 HG21 ILE 7 HG21 ILE 7 -2.887 8.592 -0.887
66 HG22 ILE 7 HG22 ILE 7 -2.949 7.063 -1.848
67 HG23 ILE 7 HG23 ILE 7 -2.629 8.633 -2.678
68 HD11 ILE 7 HD11 ILE 7 1.466 7.173 -1.422
69 HD12 ILE 7 HD12 ILE 7 1.342 7.999 -3.025
70 HD13 ILE 7 HD13 ILE 7 1.639 6.210 -2.956
71 H ILE 8 HN ILE 8 0.450 10.302 0.210
72 HA ILE 8 HA ILE 8 -2.087 11.330 0.428
73 HB ILE 8 HB ILE 8 0.186 10.538 2.033
74 HG12 ILE 8 HG12 ILE 8 -2.869 10.374 2.308
75 HG13 ILE 8 HG11 ILE 8 -1.755 9.160 1.575
76 HG21 ILE 8 HG21 ILE 8 -0.884 11.819 4.112
77 HG22 ILE 8 HG22 ILE 8 -1.729 12.851 2.898
78 HG23 ILE 8 HG23 ILE 8 0.076 12.819 2.959
79 HD11 ILE 8 HD11 ILE 8 -0.681 9.629 4.158
80 HD12 ILE 8 HD12 ILE 8 -1.622 8.187 3.616
81 HD13 ILE 8 HD13 ILE 8 -2.465 9.572 4.410
82 H LEU 9 HN LEU 9 -0.164 11.809 -1.390
83 HA LEU 9 HA LEU 9 -0.005 14.649 -1.559
84 HB2 LEU 9 HB2 LEU 9 2.383 12.932 -2.223
85 HB3 LEU 9 HB1 LEU 9 2.360 14.713 -1.940
86 HG LEU 9 HG LEU 9 1.960 12.551 0.121
87 HD11 LEU 9 HD11 LEU 9 4.232 12.928 0.872
88 HD12 LEU 9 HD12 LEU 9 4.379 14.447 -0.091
89 HD13 LEU 9 HD13 LEU 9 4.340 12.851 -0.930
90 HD21 LEU 9 HD21 LEU 9 2.571 15.418 0.872
91 HD22 LEU 9 HD22 LEU 9 1.647 14.137 1.759
92 HD23 LEU 9 HD23 LEU 9 0.917 14.960 0.345
93 H DAS 10 HN DAS 10 0.485 11.404 -2.510
94 HA DAS 10 HA DAS 10 0.263 10.405 -4.397
95 HB2 DAS 10 HB2 DAS 10 0.055 12.906 -6.002
96 HB3 DAS 10 HB1 DAS 10 1.595 12.575 -5.158
97 H PHE 11 HN PHE 11 -1.801 12.467 -3.032
98 HA PHE 11 HA PHE 11 -3.926 11.995 -4.979
99 HB2 PHE 11 HB2 PHE 11 -5.380 11.039 -3.371
100 HB3 PHE 11 HB1 PHE 11 -3.787 10.406 -2.802
101 HD1 PHE 11 HD1 PHE 11 -6.608 11.372 -1.411
102 HD2 PHE 11 HD2 PHE 11 -2.612 12.686 -1.667
103 HE1 PHE 11 HE1 PHE 11 -6.819 12.540 0.720
104 HE2 PHE 11 HE2 PHE 11 -2.782 13.812 0.337
105 HZ PHE 11 HZ PHE 11 -4.903 13.789 1.649
106 H LEU 12 HN LEU 12 -1.910 14.116 -3.524
107 HA LEU 12 HA LEU 12 -3.896 15.880 -2.431
108 HB2 LEU 12 HB2 LEU 12 -0.901 15.877 -2.649
109 HB3 LEU 12 HB1 LEU 12 -1.770 17.416 -2.305
110 HG LEU 12 HG LEU 12 -1.813 14.867 -0.746
111 HD11 LEU 12 HD11 LEU 12 -0.430 16.086 0.853
112 HD12 LEU 12 HD12 LEU 12 -0.613 17.610 -0.101
113 HD13 LEU 12 HD13 LEU 12 0.297 16.207 -0.802
114 HD21 LEU 12 HD21 LEU 12 -3.036 16.319 1.002
115 HD22 LEU 12 HD22 LEU 12 -3.990 15.867 -0.465
116 HD23 LEU 12 HD23 LEU 12 -3.285 17.522 -0.322
117 H PHE 13 HN PHE 13 -1.162 15.880 -4.588
118 HA PHE 13 HA PHE 13 -2.191 18.428 -5.601
119 HB2 PHE 13 HB2 PHE 13 -0.269 17.319 -7.452
120 HB3 PHE 13 HB1 PHE 13 -0.021 18.716 -6.346
121 HD1 PHE 13 HD1 PHE 13 0.909 15.729 -7.361
122 HD2 PHE 13 HD2 PHE 13 0.348 18.040 -3.884
123 HE1 PHE 13 HE1 PHE 13 2.191 14.170 -6.163
124 HE2 PHE 13 HE2 PHE 13 1.692 16.462 -2.645
125 HZ PHE 13 HZ PHE 13 2.563 14.533 -3.837
126 H LEU 14 HN LEU 14 -2.300 15.122 -5.696
127 HA LEU 14 HA LEU 14 -2.779 14.825 -8.453
128 HB2 LEU 14 HB2 LEU 14 -2.641 13.101 -6.052
129 HB3 LEU 14 HB1 LEU 14 -3.778 12.506 -7.331
130 HG LEU 14 HG LEU 14 -1.218 11.813 -7.384
131 HD11 LEU 14 HD11 LEU 14 -2.272 10.962 -9.242
132 HD12 LEU 14 HD12 LEU 14 -1.453 12.319 -10.106
133 HD13 LEU 14 HD13 LEU 14 -3.168 12.498 -9.563
134 HD21 LEU 14 HD21 LEU 14 0.336 13.298 -8.439
135 HD22 LEU 14 HD22 LEU 14 -0.511 14.312 -7.211
136 HD23 LEU 14 HD23 LEU 14 -0.961 14.443 -8.954
137 H ARG 15 HN ARG 15 -4.429 16.067 -5.894
138 HA ARG 15 HA ARG 15 -7.067 15.441 -6.781
139 HB2 ARG 15 HB2 ARG 15 -5.661 16.119 -4.495
140 HB3 ARG 15 HB1 ARG 15 -6.620 17.579 -4.860
141 HG2 ARG 15 HG2 ARG 15 -8.621 16.579 -4.308
142 HG3 ARG 15 HG1 ARG 15 -8.112 14.964 -4.927
143 HD2 ARG 15 HD2 ARG 15 -8.274 15.552 -2.226
144 HD3 ARG 15 HD1 ARG 15 -7.125 14.341 -2.947
145 HE ARG 15 HE ARG 15 -5.400 15.689 -2.256
146 HH11 ARG 15 HH11 ARG 15 -8.235 17.768 -2.799
147 HH12 ARG 15 HH12 ARG 15 -7.375 19.252 -2.564
148 HH21 ARG 15 HH21 ARG 15 -4.201 17.658 -2.133
149 HH22 ARG 15 HH22 ARG 15 -5.019 19.191 -2.179
150 H LYS 16 HN LYS 16 -4.786 17.953 -6.184
151 HA LYS 16 HA LYS 16 -6.212 20.187 -6.919
152 HB2 LYS 16 HB2 LYS 16 -3.304 19.415 -6.799
153 HB3 LYS 16 HB1 LYS 16 -3.798 21.103 -7.207
154 HG2 LYS 16 HG2 LYS 16 -4.963 21.276 -5.012
155 HG3 LYS 16 HG1 LYS 16 -4.513 19.575 -4.638
156 HD2 LYS 16 HD2 LYS 16 -2.106 20.155 -4.787
157 HD3 LYS 16 HD1 LYS 16 -2.531 21.847 -5.208
158 HE2 LYS 16 HE2 LYS 16 -3.315 20.462 -2.550
159 HE3 LYS 16 HE1 LYS 16 -1.887 21.557 -2.763
160 HZ1 LYS 16 HZ1 LYS 16 -4.313 22.689 -3.773
161 HZ2 LYS 16 HZ2 LYS 16 -3.186 23.308 -2.665
162 HZ3 LYS 16 HZ3 LYS 16 -4.430 22.286 -2.128
163 H LYS 17 HN LYS 17 -3.931 18.120 -8.745
164 HA LYS 17 HA LYS 17 -5.145 19.268 -11.098
165 HB2 LYS 17 HB2 LYS 17 -2.674 19.027 -12.160
166 HB3 LYS 17 HB1 LYS 17 -3.221 20.555 -11.394
167 HG2 LYS 17 HG2 LYS 17 -1.961 18.538 -9.541
168 HG3 LYS 17 HG1 LYS 17 -0.878 19.256 -10.773
169 HD2 LYS 17 HD2 LYS 17 -1.158 21.457 -9.945
170 HD3 LYS 17 HD1 LYS 17 -2.699 21.063 -9.112
171 HE2 LYS 17 HE2 LYS 17 -1.589 20.018 -7.263
172 HE3 LYS 17 HE1 LYS 17 -0.070 19.737 -8.216
173 HZ1 LYS 17 HZ1 LYS 17 -0.249 21.653 -6.507
174 HZ2 LYS 17 HZ2 LYS 17 -1.013 22.490 -7.771
175 HZ3 LYS 17 HZ3 LYS 17 0.561 21.889 -7.980
Start of MODEL 15
1 H1 GLU 1 HT1 GLU 1 8.602 5.189 0.033
2 H2 GLU 1 HT2 GLU 1 10.219 4.768 -0.272
3 H3 GLU 1 HT3 GLU 1 9.861 6.084 0.740
4 HA GLU 1 HA GLU 1 10.151 3.367 1.378
5 HB2 GLU 1 HB2 GLU 1 11.122 5.346 2.609
6 HB3 GLU 1 HB1 GLU 1 9.457 5.821 3.097
7 HG2 GLU 1 HG2 GLU 1 9.199 3.687 4.389
8 HG3 GLU 1 HG1 GLU 1 10.853 3.168 3.875
9 H MET 2 HN MET 2 7.379 5.685 1.761
10 HA MET 2 HA MET 2 5.650 3.357 1.996
11 HB2 MET 2 HB2 MET 2 6.003 5.467 4.128
12 HB3 MET 2 HB1 MET 2 4.313 5.016 3.700
13 HG2 MET 2 HG2 MET 2 4.808 2.625 4.152
14 HG3 MET 2 HG1 MET 2 6.512 3.026 4.553
15 HE1 MET 2 HE1 MET 2 6.654 5.513 6.381
16 HE2 MET 2 HE2 MET 2 7.425 3.888 6.408
17 HE3 MET 2 HE3 MET 2 6.657 4.543 7.895
18 H ARG 3 HN ARG 3 3.441 3.879 1.833
19 HA ARG 3 HA ARG 3 3.012 6.230 0.249
20 HB2 ARG 3 HB2 ARG 3 1.860 3.407 0.283
21 HB3 ARG 3 HB1 ARG 3 0.679 4.737 0.072
22 HG2 ARG 3 HG2 ARG 3 1.364 3.867 -2.109
23 HG3 ARG 3 HG1 ARG 3 1.943 5.559 -1.911
24 HD2 ARG 3 HD2 ARG 3 4.225 4.829 -1.487
25 HD3 ARG 3 HD1 ARG 3 3.708 3.093 -1.337
26 HE ARG 3 HE ARG 3 2.884 3.998 -3.920
27 HH11 ARG 3 HH11 ARG 3 5.853 3.496 -2.019
28 HH12 ARG 3 HH12 ARG 3 6.856 3.153 -3.387
29 HH21 ARG 3 HH21 ARG 3 4.248 3.529 -5.783
30 HH22 ARG 3 HH22 ARG 3 5.927 3.172 -5.564
31 H ILE 4 HN ILE 4 0.199 5.910 1.220
32 HA ILE 4 HA ILE 4 -1.015 6.621 2.873
33 HB ILE 4 HB ILE 4 -0.026 5.608 5.251
34 HG12 ILE 4 HG12 ILE 4 1.743 4.396 3.913
35 HG13 ILE 4 HG11 ILE 4 0.689 3.348 4.899
36 HG21 ILE 4 HG21 ILE 4 -2.354 5.543 4.671
37 HG22 ILE 4 HG22 ILE 4 -1.848 3.814 4.775
38 HG23 ILE 4 HG23 ILE 4 -2.045 4.601 3.163
39 HD11 ILE 4 HD11 ILE 4 -0.130 2.236 3.054
40 HD12 ILE 4 HD12 ILE 4 1.352 2.892 2.253
41 HD13 ILE 4 HD13 ILE 4 -0.231 3.741 2.061
42 H SER 5 HN SER 5 1.798 7.688 2.337
43 HA SER 5 HA SER 5 1.498 9.895 3.958
44 HB2 SER 5 HB2 SER 5 3.810 7.995 4.587
45 HB3 SER 5 HB1 SER 5 3.943 9.771 4.905
46 HG SER 5 HG SER 5 1.687 8.392 5.834
47 H ARG 6 HN ARG 6 1.408 9.006 1.302
48 HA ARG 6 HA ARG 6 3.244 10.780 0.218
49 HB2 ARG 6 HB2 ARG 6 4.893 9.332 -0.347
50 HB3 ARG 6 HB1 ARG 6 3.982 8.004 0.440
51 HG2 ARG 6 HG2 ARG 6 4.293 7.297 -1.828
52 HG3 ARG 6 HG1 ARG 6 2.580 7.840 -1.731
53 HD2 ARG 6 HD2 ARG 6 3.476 8.807 -3.776
54 HD3 ARG 6 HD1 ARG 6 3.428 10.162 -2.565
55 HE ARG 6 HE ARG 6 5.973 8.993 -2.275
56 HH11 ARG 6 HH11 ARG 6 4.035 10.511 -4.849
57 HH12 ARG 6 HH12 ARG 6 5.387 11.219 -5.667
58 HH21 ARG 6 HH21 ARG 6 7.817 9.961 -3.386
59 HH22 ARG 6 HH22 ARG 6 7.574 10.901 -4.820
60 H ILE 7 HN ILE 7 0.669 8.253 0.050
61 HA ILE 7 HA ILE 7 0.091 9.230 -2.636
62 HB ILE 7 HB ILE 7 -2.305 8.088 -1.516
63 HG12 ILE 7 HG12 ILE 7 -1.254 5.688 -1.292
64 HG13 ILE 7 HG11 ILE 7 0.242 6.602 -0.839
65 HG21 ILE 7 HG21 ILE 7 -1.746 8.132 -3.914
66 HG22 ILE 7 HG22 ILE 7 -1.942 6.415 -3.393
67 HG23 ILE 7 HG23 ILE 7 -0.291 7.100 -3.641
68 HD11 ILE 7 HD11 ILE 7 -1.676 6.040 1.016
69 HD12 ILE 7 HD12 ILE 7 -2.386 7.563 0.332
70 HD13 ILE 7 HD13 ILE 7 -0.737 7.589 1.043
71 H ILE 8 HN ILE 8 0.089 10.163 0.418
72 HA ILE 8 HA ILE 8 -2.495 11.289 0.399
73 HB ILE 8 HB ILE 8 -0.301 10.917 2.383
74 HG12 ILE 8 HG12 ILE 8 -3.264 10.114 2.310
75 HG13 ILE 8 HG11 ILE 8 -1.903 9.107 1.711
76 HG21 ILE 8 HG21 ILE 8 -2.216 11.994 4.010
77 HG22 ILE 8 HG22 ILE 8 -2.680 12.869 2.503
78 HG23 ILE 8 HG23 ILE 8 -1.015 13.052 3.180
79 HD11 ILE 8 HD11 ILE 8 -1.965 8.220 3.835
80 HD12 ILE 8 HD12 ILE 8 -2.775 9.676 4.531
81 HD13 ILE 8 HD13 ILE 8 -0.993 9.681 4.250
82 H LEU 9 HN LEU 9 -0.356 11.691 -1.291
83 HA LEU 9 HA LEU 9 -0.160 14.538 -1.419
84 HB2 LEU 9 HB2 LEU 9 2.220 12.740 -1.924
85 HB3 LEU 9 HB1 LEU 9 2.235 14.526 -1.667
86 HG LEU 9 HG LEU 9 1.602 12.410 0.392
87 HD11 LEU 9 HD11 LEU 9 4.100 14.208 0.398
88 HD12 LEU 9 HD12 LEU 9 4.078 12.665 -0.535
89 HD13 LEU 9 HD13 LEU 9 3.833 12.643 1.256
90 HD21 LEU 9 HD21 LEU 9 2.264 15.305 1.067
91 HD22 LEU 9 HD22 LEU 9 1.307 14.082 1.994
92 HD23 LEU 9 HD23 LEU 9 0.622 14.834 0.519
93 H DAS 10 HN DAS 10 0.373 11.322 -2.399
94 HA DAS 10 HA DAS 10 0.279 10.375 -4.344
95 HB2 DAS 10 HB2 DAS 10 0.140 12.907 -5.891
96 HB3 DAS 10 HB1 DAS 10 1.624 12.592 -4.946
97 H PHE 11 HN PHE 11 -1.913 12.317 -2.980
98 HA PHE 11 HA PHE 11 -3.880 11.918 -5.115
99 HB2 PHE 11 HB2 PHE 11 -5.451 10.957 -3.623
100 HB3 PHE 11 HB1 PHE 11 -3.908 10.317 -2.940
101 HD1 PHE 11 HD1 PHE 11 -6.836 11.338 -1.778
102 HD2 PHE 11 HD2 PHE 11 -2.799 12.540 -1.696
103 HE1 PHE 11 HE1 PHE 11 -7.199 12.524 0.326
104 HE2 PHE 11 HE2 PHE 11 -3.110 13.692 0.286
105 HZ PHE 11 HZ PHE 11 -5.337 13.725 1.410
106 H LEU 12 HN LEU 12 -1.972 14.025 -3.499
107 HA LEU 12 HA LEU 12 -4.024 15.769 -2.508
108 HB2 LEU 12 HB2 LEU 12 -1.023 15.775 -2.544
109 HB3 LEU 12 HB1 LEU 12 -1.909 17.314 -2.248
110 HG LEU 12 HG LEU 12 -2.063 14.759 -0.712
111 HD11 LEU 12 HD11 LEU 12 0.062 16.091 -0.638
112 HD12 LEU 12 HD12 LEU 12 -0.761 15.955 0.972
113 HD13 LEU 12 HD13 LEU 12 -0.878 17.488 0.025
114 HD21 LEU 12 HD21 LEU 12 -3.530 17.427 -0.354
115 HD22 LEU 12 HD22 LEU 12 -3.375 16.208 0.968
116 HD23 LEU 12 HD23 LEU 12 -4.244 15.783 -0.557
117 H PHE 13 HN PHE 13 -1.161 15.824 -4.482
118 HA PHE 13 HA PHE 13 -2.119 18.397 -5.502
119 HB2 PHE 13 HB2 PHE 13 -0.063 17.357 -7.235
120 HB3 PHE 13 HB1 PHE 13 0.101 18.708 -6.058
121 HD1 PHE 13 HD1 PHE 13 1.119 15.777 -7.128
122 HD2 PHE 13 HD2 PHE 13 0.281 17.924 -3.604
123 HE1 PHE 13 HE1 PHE 13 2.320 14.174 -5.908
124 HE2 PHE 13 HE2 PHE 13 1.534 16.299 -2.340
125 HZ PHE 13 HZ PHE 13 2.511 14.430 -3.544
126 H LEU 14 HN LEU 14 -2.214 15.099 -5.686
127 HA LEU 14 HA LEU 14 -2.503 14.872 -8.477
128 HB2 LEU 14 HB2 LEU 14 -2.519 13.086 -6.115
129 HB3 LEU 14 HB1 LEU 14 -3.564 12.524 -7.484
130 HG LEU 14 HG LEU 14 -1.000 11.840 -7.384
131 HD11 LEU 14 HD11 LEU 14 -1.070 12.436 -10.107
132 HD12 LEU 14 HD12 LEU 14 -2.817 12.549 -9.660
133 HD13 LEU 14 HD13 LEU 14 -1.896 11.028 -9.335
134 HD21 LEU 14 HD21 LEU 14 0.615 13.350 -8.286
135 HD22 LEU 14 HD22 LEU 14 -0.327 14.347 -7.113
136 HD23 LEU 14 HD23 LEU 14 -0.646 14.497 -8.884
137 H ARG 15 HN ARG 15 -4.309 16.069 -6.014
138 HA ARG 15 HA ARG 15 -6.883 15.467 -7.094
139 HB2 ARG 15 HB2 ARG 15 -5.647 16.061 -4.688
140 HB3 ARG 15 HB1 ARG 15 -6.587 17.531 -5.071
141 HG2 ARG 15 HG2 ARG 15 -8.613 16.503 -4.694
142 HG3 ARG 15 HG1 ARG 15 -8.053 14.912 -5.333
143 HD2 ARG 15 HD2 ARG 15 -8.404 15.403 -2.630
144 HD3 ARG 15 HD1 ARG 15 -7.197 14.227 -3.311
145 HE ARG 15 HE ARG 15 -5.536 15.564 -2.460
146 HH11 ARG 15 HH11 ARG 15 -8.356 17.632 -3.107
147 HH12 ARG 15 HH12 ARG 15 -7.530 19.117 -2.774
148 HH21 ARG 15 HH21 ARG 15 -4.367 17.540 -2.204
149 HH22 ARG 15 HH22 ARG 15 -5.199 19.066 -2.245
150 H LYS 16 HN LYS 16 -4.633 17.949 -6.261
151 HA LYS 16 HA LYS 16 -6.010 20.206 -7.024
152 HB2 LYS 16 HB2 LYS 16 -3.099 19.455 -6.745
153 HB3 LYS 16 HB1 LYS 16 -3.594 21.145 -7.145
154 HG2 LYS 16 HG2 LYS 16 -4.879 21.279 -5.031
155 HG3 LYS 16 HG1 LYS 16 -4.480 19.563 -4.663
156 HD2 LYS 16 HD2 LYS 16 -2.064 20.106 -4.622
157 HD3 LYS 16 HD1 LYS 16 -2.430 21.812 -5.050
158 HE2 LYS 16 HE2 LYS 16 -3.443 20.412 -2.479
159 HE3 LYS 16 HE1 LYS 16 -1.970 21.468 -2.566
160 HZ1 LYS 16 HZ1 LYS 16 -3.244 23.226 -2.440
161 HZ2 LYS 16 HZ2 LYS 16 -4.595 22.229 -2.191
162 HZ3 LYS 16 HZ3 LYS 16 -4.199 22.745 -3.759
163 H LYS 17 HN LYS 17 -3.631 18.178 -8.764
164 HA LYS 17 HA LYS 17 -4.748 19.344 -11.151
165 HB2 LYS 17 HB2 LYS 17 -2.228 19.204 -12.108
166 HB3 LYS 17 HB1 LYS 17 -2.856 20.700 -11.339
167 HG2 LYS 17 HG2 LYS 17 -1.584 18.662 -9.501
168 HG3 LYS 17 HG1 LYS 17 -0.496 19.516 -10.644
169 HD2 LYS 17 HD2 LYS 17 -0.869 21.613 -9.668
170 HD3 LYS 17 HD1 LYS 17 -2.496 21.167 -9.051
171 HE2 LYS 17 HE2 LYS 17 -1.198 21.215 -7.055
172 HE3 LYS 17 HE1 LYS 17 -1.134 19.460 -7.495
173 HZ1 LYS 17 HZ1 LYS 17 1.017 20.524 -6.917
174 HZ2 LYS 17 HZ2 LYS 17 0.912 21.447 -8.338
175 HZ3 LYS 17 HZ3 LYS 17 0.990 19.754 -8.429
Start of MODEL 16
1 H1 GLU 1 HT1 GLU 1 5.897 1.364 -2.753
2 H2 GLU 1 HT2 GLU 1 5.583 2.236 -4.177
3 H3 GLU 1 HT3 GLU 1 4.516 2.347 -2.859
4 HA GLU 1 HA GLU 1 6.967 3.020 -1.857
5 HB2 GLU 1 HB2 GLU 1 6.384 4.300 -4.586
6 HB3 GLU 1 HB1 GLU 1 7.494 5.044 -3.379
7 HG2 GLU 1 HG2 GLU 1 8.996 3.066 -3.464
8 HG3 GLU 1 HG1 GLU 1 7.857 2.214 -4.580
9 H MET 2 HN MET 2 5.557 3.579 -0.106
10 HA MET 2 HA MET 2 4.442 6.202 -0.430
11 HB2 MET 2 HB2 MET 2 2.270 5.385 0.829
12 HB3 MET 2 HB1 MET 2 2.367 5.244 -0.976
13 HG2 MET 2 HG2 MET 2 3.055 2.864 -0.815
14 HG3 MET 2 HG1 MET 2 3.052 2.957 0.970
15 HE1 MET 2 HE1 MET 2 0.917 2.093 -2.236
16 HE2 MET 2 HE2 MET 2 1.162 3.872 -2.142
17 HE3 MET 2 HE3 MET 2 -0.491 3.184 -1.987
18 H ARG 3 HN ARG 3 3.769 7.111 1.657
19 HA ARG 3 HA ARG 3 5.136 5.737 3.785
20 HB2 ARG 3 HB2 ARG 3 4.651 8.731 3.595
21 HB3 ARG 3 HB1 ARG 3 5.649 7.880 4.837
22 HG2 ARG 3 HG2 ARG 3 6.221 8.089 1.827
23 HG3 ARG 3 HG1 ARG 3 7.131 8.892 3.158
24 HD2 ARG 3 HD2 ARG 3 6.856 5.827 2.814
25 HD3 ARG 3 HD1 ARG 3 8.299 6.803 2.282
26 HE ARG 3 HE ARG 3 7.544 6.119 5.074
27 HH11 ARG 3 HH11 ARG 3 9.421 8.200 2.868
28 HH12 ARG 3 HH12 ARG 3 10.604 8.646 4.051
29 HH21 ARG 3 HH21 ARG 3 9.155 6.727 6.678
30 HH22 ARG 3 HH22 ARG 3 10.451 7.795 6.252
31 H ILE 4 HN ILE 4 2.288 6.306 2.439
32 HA ILE 4 HA ILE 4 0.183 6.244 3.167
33 HB ILE 4 HB ILE 4 0.824 5.668 5.999
34 HG12 ILE 4 HG12 ILE 4 2.689 4.557 4.990
35 HG13 ILE 4 HG11 ILE 4 1.491 3.313 5.458
36 HG21 ILE 4 HG21 ILE 4 -0.945 3.879 5.539
37 HG22 ILE 4 HG22 ILE 4 -1.002 4.436 3.824
38 HG23 ILE 4 HG23 ILE 4 -1.492 5.555 5.153
39 HD11 ILE 4 HD11 ILE 4 2.666 3.951 2.822
40 HD12 ILE 4 HD12 ILE 4 0.856 3.956 2.754
41 HD13 ILE 4 HD13 ILE 4 1.732 2.487 3.334
42 H SER 5 HN SER 5 2.105 8.291 3.336
43 HA SER 5 HA SER 5 0.483 10.166 4.318
44 HB2 SER 5 HB2 SER 5 2.773 9.439 6.192
45 HB3 SER 5 HB1 SER 5 2.319 11.182 6.017
46 HG SER 5 HG SER 5 0.438 9.134 6.580
47 H ARG 6 HN ARG 6 1.574 9.314 2.084
48 HA ARG 6 HA ARG 6 3.153 11.517 1.336
49 HB2 ARG 6 HB2 ARG 6 5.095 10.280 1.463
50 HB3 ARG 6 HB1 ARG 6 4.161 8.764 1.660
51 HG2 ARG 6 HG2 ARG 6 5.411 8.617 -0.422
52 HG3 ARG 6 HG1 ARG 6 3.655 8.769 -0.807
53 HD2 ARG 6 HD2 ARG 6 4.767 10.309 -2.311
54 HD3 ARG 6 HD1 ARG 6 4.101 11.346 -0.972
55 HE ARG 6 HE ARG 6 6.745 10.554 -0.224
56 HH11 ARG 6 HH11 ARG 6 5.040 12.470 -2.693
57 HH12 ARG 6 HH12 ARG 6 6.310 13.628 -2.897
58 HH21 ARG 6 HH21 ARG 6 8.478 12.130 -0.501
59 HH22 ARG 6 HH22 ARG 6 8.299 13.430 -1.629
60 H ILE 7 HN ILE 7 1.382 8.430 0.757
61 HA ILE 7 HA ILE 7 1.000 9.327 -1.997
62 HB ILE 7 HB ILE 7 -1.245 7.676 -1.235
63 HG12 ILE 7 HG12 ILE 7 0.257 5.583 -0.795
64 HG13 ILE 7 HG11 ILE 7 1.456 6.805 -0.210
65 HG21 ILE 7 HG21 ILE 7 -0.204 6.150 -2.998
66 HG22 ILE 7 HG22 ILE 7 1.241 7.234 -3.019
67 HG23 ILE 7 HG23 ILE 7 -0.373 7.869 -3.523
68 HD11 ILE 7 HD11 ILE 7 0.201 7.377 1.622
69 HD12 ILE 7 HD12 ILE 7 -0.623 5.789 1.348
70 HD13 ILE 7 HD13 ILE 7 -1.340 7.323 0.690
71 H ILE 8 HN ILE 8 0.255 10.163 1.013
72 HA ILE 8 HA ILE 8 -2.454 10.723 0.508
73 HB ILE 8 HB ILE 8 -0.639 10.744 2.863
74 HG12 ILE 8 HG12 ILE 8 -3.272 9.302 2.207
75 HG13 ILE 8 HG11 ILE 8 -1.628 8.665 1.887
76 HG21 ILE 8 HG21 ILE 8 -3.363 12.135 2.534
77 HG22 ILE 8 HG22 ILE 8 -1.954 12.608 3.558
78 HG23 ILE 8 HG23 ILE 8 -3.045 11.275 4.087
79 HD11 ILE 8 HD11 ILE 8 -1.735 7.705 3.941
80 HD12 ILE 8 HD12 ILE 8 -3.172 8.694 4.412
81 HD13 ILE 8 HD13 ILE 8 -1.511 9.366 4.609
82 H LEU 9 HN LEU 9 -0.280 11.657 -0.801
83 HA LEU 9 HA LEU 9 -0.629 14.510 -0.839
84 HB2 LEU 9 HB2 LEU 9 2.083 13.107 -0.897
85 HB3 LEU 9 HB1 LEU 9 1.831 14.868 -0.801
86 HG LEU 9 HG LEU 9 1.173 12.789 1.270
87 HD11 LEU 9 HD11 LEU 9 3.118 13.456 2.483
88 HD12 LEU 9 HD12 LEU 9 3.202 15.061 1.664
89 HD13 LEU 9 HD13 LEU 9 3.684 13.570 0.771
90 HD21 LEU 9 HD21 LEU 9 -0.313 14.932 1.081
91 HD22 LEU 9 HD22 LEU 9 1.081 15.789 1.829
92 HD23 LEU 9 HD23 LEU 9 0.278 14.420 2.698
93 H DAS 10 HN DAS 10 0.732 11.534 -1.699
94 HA DAS 10 HA DAS 10 1.165 10.652 -3.593
95 HB2 DAS 10 HB2 DAS 10 0.978 13.283 -4.967
96 HB3 DAS 10 HB1 DAS 10 2.280 13.001 -3.796
97 H PHE 11 HN PHE 11 -1.586 12.008 -2.685
98 HA PHE 11 HA PHE 11 -3.070 11.340 -5.133
99 HB2 PHE 11 HB2 PHE 11 -4.491 9.825 -3.960
100 HB3 PHE 11 HB1 PHE 11 -2.938 9.558 -3.075
101 HD1 PHE 11 HD1 PHE 11 -6.152 9.624 -2.292
102 HD2 PHE 11 HD2 PHE 11 -2.685 11.917 -1.594
103 HE1 PHE 11 HE1 PHE 11 -7.131 10.563 -0.264
104 HE2 PHE 11 HE2 PHE 11 -3.579 12.842 0.310
105 HZ PHE 11 HZ PHE 11 -5.864 12.185 1.101
106 H LEU 12 HN LEU 12 -2.024 13.790 -3.494
107 HA LEU 12 HA LEU 12 -4.577 14.826 -2.618
108 HB2 LEU 12 HB2 LEU 12 -1.696 15.444 -2.140
109 HB3 LEU 12 HB1 LEU 12 -2.885 16.790 -1.978
110 HG LEU 12 HG LEU 12 -2.785 14.175 -0.550
111 HD11 LEU 12 HD11 LEU 12 -2.189 15.480 1.379
112 HD12 LEU 12 HD12 LEU 12 -2.581 17.025 0.526
113 HD13 LEU 12 HD13 LEU 12 -1.168 16.025 -0.007
114 HD21 LEU 12 HD21 LEU 12 -5.104 14.491 -0.830
115 HD22 LEU 12 HD22 LEU 12 -4.968 16.287 -0.741
116 HD23 LEU 12 HD23 LEU 12 -4.793 15.292 0.763
117 H PHE 13 HN PHE 13 -1.602 15.821 -4.022
118 HA PHE 13 HA PHE 13 -3.089 18.065 -5.336
119 HB2 PHE 13 HB2 PHE 13 -0.241 17.711 -6.147
120 HB3 PHE 13 HB1 PHE 13 -0.993 19.161 -5.368
121 HD1 PHE 13 HD1 PHE 13 0.898 16.349 -5.162
122 HD2 PHE 13 HD2 PHE 13 -1.467 19.062 -2.989
123 HE1 PHE 13 HE1 PHE 13 1.605 15.292 -3.177
124 HE2 PHE 13 HE2 PHE 13 -0.685 18.066 -0.935
125 HZ PHE 13 HZ PHE 13 0.798 16.185 -1.111
126 H LEU 14 HN LEU 14 -2.229 14.935 -5.396
127 HA LEU 14 HA LEU 14 -1.520 14.839 -8.103
128 HB2 LEU 14 HB2 LEU 14 -1.736 12.964 -5.827
129 HB3 LEU 14 HB1 LEU 14 -1.999 12.233 -7.464
130 HG LEU 14 HG LEU 14 0.438 12.375 -6.571
131 HD11 LEU 14 HD11 LEU 14 1.154 13.383 -9.013
132 HD12 LEU 14 HD12 LEU 14 -0.605 13.088 -9.310
133 HD13 LEU 14 HD13 LEU 14 0.466 11.728 -8.791
134 HD21 LEU 14 HD21 LEU 14 0.240 15.301 -7.519
135 HD22 LEU 14 HD22 LEU 14 1.646 14.473 -6.746
136 HD23 LEU 14 HD23 LEU 14 0.152 14.804 -5.782
137 H ARG 15 HN ARG 15 -3.858 16.161 -7.608
138 HA ARG 15 HA ARG 15 -5.724 14.634 -9.080
139 HB2 ARG 15 HB2 ARG 15 -5.916 15.348 -6.256
140 HB3 ARG 15 HB1 ARG 15 -7.400 15.654 -7.242
141 HG2 ARG 15 HG2 ARG 15 -7.925 13.462 -7.140
142 HG3 ARG 15 HG1 ARG 15 -6.379 13.053 -7.974
143 HD2 ARG 15 HD2 ARG 15 -5.912 11.963 -5.980
144 HD3 ARG 15 HD1 ARG 15 -5.464 13.638 -5.410
145 HE ARG 15 HE ARG 15 -7.931 12.179 -4.837
146 HH11 ARG 15 HH11 ARG 15 -6.109 15.244 -4.802
147 HH12 ARG 15 HH12 ARG 15 -7.070 15.976 -3.557
148 HH21 ARG 15 HH21 ARG 15 -9.243 13.184 -3.127
149 HH22 ARG 15 HH22 ARG 15 -8.871 14.788 -2.592
150 H LYS 16 HN LYS 16 -5.132 17.309 -6.943
151 HA LYS 16 HA LYS 16 -6.845 19.143 -8.131
152 HB2 LYS 16 HB2 LYS 16 -4.415 19.314 -6.344
153 HB3 LYS 16 HB1 LYS 16 -5.366 20.775 -6.805
154 HG2 LYS 16 HG2 LYS 16 -7.393 19.776 -5.760
155 HG3 LYS 16 HG1 LYS 16 -6.451 18.299 -5.344
156 HD2 LYS 16 HD2 LYS 16 -4.947 19.599 -3.905
157 HD3 LYS 16 HD1 LYS 16 -5.744 21.133 -4.399
158 HE2 LYS 16 HE2 LYS 16 -6.555 20.424 -2.148
159 HE3 LYS 16 HE1 LYS 16 -7.910 20.312 -3.348
160 HZ1 LYS 16 HZ1 LYS 16 -6.325 17.919 -3.137
161 HZ2 LYS 16 HZ2 LYS 16 -8.009 18.140 -3.094
162 HZ3 LYS 16 HZ3 LYS 16 -7.088 18.359 -1.684
163 H LYS 17 HN LYS 17 -3.381 18.364 -8.467
164 HA LYS 17 HA LYS 17 -3.306 20.447 -10.470
165 HB2 LYS 17 HB2 LYS 17 -0.769 18.946 -9.902
166 HB3 LYS 17 HB1 LYS 17 -1.010 20.700 -10.201
167 HG2 LYS 17 HG2 LYS 17 -1.601 19.207 -7.582
168 HG3 LYS 17 HG1 LYS 17 -0.192 20.260 -7.903
169 HD2 LYS 17 HD2 LYS 17 -1.443 22.224 -7.755
170 HD3 LYS 17 HD1 LYS 17 -2.968 21.438 -8.289
171 HE2 LYS 17 HE2 LYS 17 -3.467 21.676 -6.011
172 HE3 LYS 17 HE1 LYS 17 -2.610 20.078 -5.923
173 HZ1 LYS 17 HZ1 LYS 17 -0.570 21.296 -5.446
174 HZ2 LYS 17 HZ2 LYS 17 -1.782 21.612 -4.298
175 HZ3 LYS 17 HZ3 LYS 17 -1.409 22.772 -5.480
Start of MODEL 17
1 H1 GLU 1 HT1 GLU 1 8.460 4.756 0.758
2 H2 GLU 1 HT2 GLU 1 10.135 4.551 0.946
3 H3 GLU 1 HT3 GLU 1 9.349 5.847 1.711
4 HA GLU 1 HA GLU 1 9.590 3.095 2.491
5 HB2 GLU 1 HB2 GLU 1 9.002 5.759 3.897
6 HB3 GLU 1 HB1 GLU 1 9.091 4.194 4.783
7 HG2 GLU 1 HG2 GLU 1 11.457 3.881 4.120
8 HG3 GLU 1 HG1 GLU 1 11.395 5.356 3.076
9 H MET 2 HN MET 2 6.968 5.611 2.426
10 HA MET 2 HA MET 2 5.092 3.382 2.580
11 HB2 MET 2 HB2 MET 2 5.301 5.717 4.474
12 HB3 MET 2 HB1 MET 2 3.650 5.336 3.871
13 HG2 MET 2 HG2 MET 2 3.929 2.964 4.627
14 HG3 MET 2 HG1 MET 2 5.561 3.362 5.258
15 HE1 MET 2 HE1 MET 2 3.025 1.999 6.781
16 HE2 MET 2 HE2 MET 2 3.375 2.675 8.409
17 HE3 MET 2 HE3 MET 2 4.726 2.155 7.344
18 H ARG 3 HN ARG 3 3.175 3.711 1.395
19 HA ARG 3 HA ARG 3 3.252 6.116 -0.244
20 HB2 ARG 3 HB2 ARG 3 2.498 3.243 -0.876
21 HB3 ARG 3 HB1 ARG 3 1.667 4.585 -1.745
22 HG2 ARG 3 HG2 ARG 3 3.522 4.042 -3.129
23 HG3 ARG 3 HG1 ARG 3 3.992 5.533 -2.232
24 HD2 ARG 3 HD2 ARG 3 5.313 4.169 -0.601
25 HD3 ARG 3 HD1 ARG 3 4.856 2.657 -1.496
26 HE ARG 3 HE ARG 3 6.338 3.284 -3.255
27 HH11 ARG 3 HH11 ARG 3 5.957 5.887 -0.844
28 HH12 ARG 3 HH12 ARG 3 7.257 6.852 -1.460
29 HH21 ARG 3 HH21 ARG 3 8.102 4.597 -4.084
30 HH22 ARG 3 HH22 ARG 3 8.495 6.107 -3.331
31 H ILE 4 HN ILE 4 2.417 5.969 2.286
32 HA ILE 4 HA ILE 4 -0.409 6.575 1.966
33 HB ILE 4 HB ILE 4 0.051 5.495 4.596
34 HG12 ILE 4 HG12 ILE 4 1.901 4.253 3.280
35 HG13 ILE 4 HG11 ILE 4 0.755 3.265 4.249
36 HG21 ILE 4 HG21 ILE 4 -1.832 3.890 3.716
37 HG22 ILE 4 HG22 ILE 4 -1.728 4.829 2.179
38 HG23 ILE 4 HG23 ILE 4 -2.173 5.662 3.715
39 HD11 ILE 4 HD11 ILE 4 -0.192 3.672 1.450
40 HD12 ILE 4 HD12 ILE 4 0.010 2.142 2.388
41 HD13 ILE 4 HD13 ILE 4 1.422 2.874 1.531
42 H SER 5 HN SER 5 2.210 7.713 1.990
43 HA SER 5 HA SER 5 1.774 9.841 3.785
44 HB2 SER 5 HB2 SER 5 4.275 8.077 4.208
45 HB3 SER 5 HB1 SER 5 4.093 9.752 4.867
46 HG SER 5 HG SER 5 1.978 8.089 5.419
47 H ARG 6 HN ARG 6 1.723 9.144 1.097
48 HA ARG 6 HA ARG 6 3.524 10.978 0.044
49 HB2 ARG 6 HB2 ARG 6 5.196 9.519 -0.479
50 HB3 ARG 6 HB1 ARG 6 4.212 8.146 0.126
51 HG2 ARG 6 HG2 ARG 6 4.668 7.677 -2.182
52 HG3 ARG 6 HG1 ARG 6 2.954 8.194 -2.092
53 HD2 ARG 6 HD2 ARG 6 3.925 9.363 -3.997
54 HD3 ARG 6 HD1 ARG 6 3.764 10.580 -2.656
55 HE ARG 6 HE ARG 6 6.345 9.405 -2.407
56 HH11 ARG 6 HH11 ARG 6 4.446 11.355 -4.700
57 HH12 ARG 6 HH12 ARG 6 5.800 12.246 -5.307
58 HH21 ARG 6 HH21 ARG 6 8.192 10.621 -3.227
59 HH22 ARG 6 HH22 ARG 6 7.967 11.821 -4.455
60 H ILE 7 HN ILE 7 1.033 8.452 -0.072
61 HA ILE 7 HA ILE 7 0.050 9.303 -2.650
62 HB ILE 7 HB ILE 7 -0.821 7.482 -0.447
63 HG12 ILE 7 HG12 ILE 7 -0.635 5.797 -1.988
64 HG13 ILE 7 HG11 ILE 7 -0.857 6.923 -3.387
65 HG21 ILE 7 HG21 ILE 7 -2.694 8.579 -2.609
66 HG22 ILE 7 HG22 ILE 7 -2.925 8.577 -0.814
67 HG23 ILE 7 HG23 ILE 7 -3.005 7.029 -1.739
68 HD11 ILE 7 HD11 ILE 7 1.571 6.182 -2.944
69 HD12 ILE 7 HD12 ILE 7 1.433 7.152 -1.408
70 HD13 ILE 7 HD13 ILE 7 1.261 7.967 -3.010
71 H ILE 8 HN ILE 8 0.392 10.279 0.244
72 HA ILE 8 HA ILE 8 -2.139 11.319 0.444
73 HB ILE 8 HB ILE 8 0.131 10.537 2.061
74 HG12 ILE 8 HG12 ILE 8 -2.922 10.373 2.356
75 HG13 ILE 8 HG11 ILE 8 -1.823 9.161 1.597
76 HG21 ILE 8 HG21 ILE 8 -0.969 11.830 4.128
77 HG22 ILE 8 HG22 ILE 8 -1.781 12.863 2.893
78 HG23 ILE 8 HG23 ILE 8 0.022 12.813 2.987
79 HD11 ILE 8 HD11 ILE 8 -0.706 9.604 4.167
80 HD12 ILE 8 HD12 ILE 8 -1.665 8.172 3.632
81 HD13 ILE 8 HD13 ILE 8 -2.486 9.558 4.449
82 H LEU 9 HN LEU 9 -0.194 11.783 -1.364
83 HA LEU 9 HA LEU 9 -0.025 14.625 -1.534
84 HB2 LEU 9 HB2 LEU 9 2.359 12.889 -2.174
85 HB3 LEU 9 HB1 LEU 9 2.346 14.670 -1.896
86 HG LEU 9 HG LEU 9 1.907 12.520 0.172
87 HD11 LEU 9 HD11 LEU 9 4.302 12.797 -0.865
88 HD12 LEU 9 HD12 LEU 9 4.176 12.873 0.937
89 HD13 LEU 9 HD13 LEU 9 4.347 14.391 -0.023
90 HD21 LEU 9 HD21 LEU 9 0.889 14.944 0.365
91 HD22 LEU 9 HD22 LEU 9 2.542 15.384 0.912
92 HD23 LEU 9 HD23 LEU 9 1.590 14.121 1.794
93 H DAS 10 HN DAS 10 0.450 11.377 -2.473
94 HA DAS 10 HA DAS 10 0.244 10.369 -4.354
95 HB2 DAS 10 HB2 DAS 10 0.074 12.864 -5.974
96 HB3 DAS 10 HB1 DAS 10 1.603 12.524 -5.113
97 H PHE 11 HN PHE 11 -1.820 12.448 -3.018
98 HA PHE 11 HA PHE 11 -3.930 11.975 -4.982
99 HB2 PHE 11 HB2 PHE 11 -5.403 11.032 -3.382
100 HB3 PHE 11 HB1 PHE 11 -3.816 10.390 -2.805
101 HD1 PHE 11 HD1 PHE 11 -6.634 11.344 -1.421
102 HD2 PHE 11 HD2 PHE 11 -2.645 12.681 -1.663
103 HE1 PHE 11 HE1 PHE 11 -6.856 12.503 0.715
104 HE2 PHE 11 HE2 PHE 11 -2.825 13.801 0.343
105 HZ PHE 11 HZ PHE 11 -4.949 13.759 1.653
106 H LEU 12 HN LEU 12 -1.919 14.095 -3.520
107 HA LEU 12 HA LEU 12 -3.906 15.874 -2.449
108 HB2 LEU 12 HB2 LEU 12 -0.909 15.845 -2.636
109 HB3 LEU 12 HB1 LEU 12 -1.766 17.394 -2.311
110 HG LEU 12 HG LEU 12 -1.852 14.854 -0.737
111 HD11 LEU 12 HD11 LEU 12 -0.469 16.064 0.864
112 HD12 LEU 12 HD12 LEU 12 -0.635 17.591 -0.089
113 HD13 LEU 12 HD13 LEU 12 0.273 16.184 -0.784
114 HD21 LEU 12 HD21 LEU 12 -3.064 16.372 0.987
115 HD22 LEU 12 HD22 LEU 12 -4.016 15.849 -0.457
116 HD23 LEU 12 HD23 LEU 12 -3.327 17.515 -0.387
117 H PHE 13 HN PHE 13 -1.142 15.859 -4.568
118 HA PHE 13 HA PHE 13 -2.146 18.411 -5.601
119 HB2 PHE 13 HB2 PHE 13 -0.195 17.311 -7.421
120 HB3 PHE 13 HB1 PHE 13 0.042 18.695 -6.294
121 HD1 PHE 13 HD1 PHE 13 0.957 15.709 -7.327
122 HD2 PHE 13 HD2 PHE 13 0.376 18.001 -3.843
123 HE1 PHE 13 HE1 PHE 13 2.211 14.135 -6.127
124 HE2 PHE 13 HE2 PHE 13 1.691 16.407 -2.602
125 HZ PHE 13 HZ PHE 13 2.561 14.478 -3.792
126 H LEU 14 HN LEU 14 -2.279 15.111 -5.688
127 HA LEU 14 HA LEU 14 -2.723 14.807 -8.453
128 HB2 LEU 14 HB2 LEU 14 -2.609 13.088 -6.047
129 HB3 LEU 14 HB1 LEU 14 -3.738 12.495 -7.333
130 HG LEU 14 HG LEU 14 -1.187 11.785 -7.371
131 HD11 LEU 14 HD11 LEU 14 -3.113 12.492 -9.560
132 HD12 LEU 14 HD12 LEU 14 -2.216 10.954 -9.249
133 HD13 LEU 14 HD13 LEU 14 -1.395 12.322 -10.095
134 HD21 LEU 14 HD21 LEU 14 -0.468 14.286 -7.183
135 HD22 LEU 14 HD22 LEU 14 -0.884 14.411 -8.935
136 HD23 LEU 14 HD23 LEU 14 0.394 13.258 -8.389
137 H ARG 15 HN ARG 15 -4.387 16.078 -5.921
138 HA ARG 15 HA ARG 15 -7.020 15.458 -6.841
139 HB2 ARG 15 HB2 ARG 15 -5.649 16.103 -4.523
140 HB3 ARG 15 HB1 ARG 15 -6.607 17.566 -4.888
141 HG2 ARG 15 HG2 ARG 15 -8.613 16.552 -4.387
142 HG3 ARG 15 HG1 ARG 15 -8.079 14.939 -4.990
143 HD2 ARG 15 HD2 ARG 15 -8.293 15.544 -2.292
144 HD3 ARG 15 HD1 ARG 15 -7.129 14.334 -2.989
145 HE ARG 15 HE ARG 15 -5.415 15.694 -2.291
146 HH11 ARG 15 HH11 ARG 15 -8.266 17.750 -2.833
147 HH12 ARG 15 HH12 ARG 15 -7.414 19.243 -2.623
148 HH21 ARG 15 HH21 ARG 15 -4.224 17.677 -2.206
149 HH22 ARG 15 HH22 ARG 15 -5.055 19.203 -2.260
150 H LYS 16 HN LYS 16 -4.728 17.949 -6.183
151 HA LYS 16 HA LYS 16 -6.140 20.196 -6.920
152 HB2 LYS 16 HB2 LYS 16 -3.211 19.446 -6.753
153 HB3 LYS 16 HB1 LYS 16 -3.725 21.128 -7.162
154 HG2 LYS 16 HG2 LYS 16 -4.893 21.319 -5.000
155 HG3 LYS 16 HG1 LYS 16 -4.525 19.602 -4.623
156 HD2 LYS 16 HD2 LYS 16 -2.097 20.083 -4.625
157 HD3 LYS 16 HD1 LYS 16 -2.418 21.786 -5.098
158 HE2 LYS 16 HE2 LYS 16 -3.471 20.516 -2.482
159 HE3 LYS 16 HE1 LYS 16 -1.924 21.455 -2.604
160 HZ1 LYS 16 HZ1 LYS 16 -4.365 22.476 -2.111
161 HZ2 LYS 16 HZ2 LYS 16 -4.205 22.770 -3.775
162 HZ3 LYS 16 HZ3 LYS 16 -3.029 23.346 -2.695
163 H LYS 17 HN LYS 17 -3.966 18.025 -8.696
164 HA LYS 17 HA LYS 17 -4.369 19.705 -11.012
165 HB2 LYS 17 HB2 LYS 17 -2.427 17.473 -10.309
166 HB3 LYS 17 HB1 LYS 17 -2.761 17.818 -12.042
167 HG2 LYS 17 HG2 LYS 17 -1.174 19.426 -11.939
168 HG3 LYS 17 HG1 LYS 17 -2.313 20.380 -10.927
169 HD2 LYS 17 HD2 LYS 17 -0.638 18.258 -9.541
170 HD3 LYS 17 HD1 LYS 17 0.205 19.735 -10.118
171 HE2 LYS 17 HE2 LYS 17 -2.383 20.172 -8.586
172 HE3 LYS 17 HE1 LYS 17 -0.967 19.572 -7.639
173 HZ1 LYS 17 HZ1 LYS 17 0.312 21.408 -8.405
174 HZ2 LYS 17 HZ2 LYS 17 -1.151 21.997 -7.774
175 HZ3 LYS 17 HZ3 LYS 17 -0.915 21.930 -9.454
Start of MODEL 18
1 H1 GLU 1 HT1 GLU 1 9.770 4.944 -0.266
2 H2 GLU 1 HT2 GLU 1 9.228 6.098 0.856
3 H3 GLU 1 HT3 GLU 1 8.108 5.258 -0.106
4 HA GLU 1 HA GLU 1 9.418 3.252 1.069
5 HB2 GLU 1 HB2 GLU 1 9.018 5.497 3.133
6 HB3 GLU 1 HB1 GLU 1 9.481 3.801 3.520
7 HG2 GLU 1 HG2 GLU 1 11.618 4.083 2.213
8 HG3 GLU 1 HG1 GLU 1 11.161 5.795 1.850
9 H MET 2 HN MET 2 6.932 5.773 1.901
10 HA MET 2 HA MET 2 5.029 3.549 2.041
11 HB2 MET 2 HB2 MET 2 5.169 6.031 3.838
12 HB3 MET 2 HB1 MET 2 3.711 4.987 3.707
13 HG2 MET 2 HG2 MET 2 4.959 3.042 4.535
14 HG3 MET 2 HG1 MET 2 6.488 3.977 4.548
15 HE1 MET 2 HE1 MET 2 3.075 3.317 5.728
16 HE2 MET 2 HE2 MET 2 2.702 5.068 5.887
17 HE3 MET 2 HE3 MET 2 2.867 4.048 7.357
18 H ARG 3 HN ARG 3 3.053 3.900 1.043
19 HA ARG 3 HA ARG 3 2.869 6.460 -0.329
20 HB2 ARG 3 HB2 ARG 3 1.518 5.187 -2.108
21 HB3 ARG 3 HB1 ARG 3 3.284 4.858 -2.107
22 HG2 ARG 3 HG2 ARG 3 1.325 3.106 -0.544
23 HG3 ARG 3 HG1 ARG 3 1.635 2.843 -2.296
24 HD2 ARG 3 HD2 ARG 3 4.215 2.844 -1.557
25 HD3 ARG 3 HD1 ARG 3 3.532 2.484 0.087
26 HE ARG 3 HE ARG 3 2.282 0.718 -1.808
27 HH11 ARG 3 HH11 ARG 3 5.445 1.448 -0.339
28 HH12 ARG 3 HH12 ARG 3 6.039 -0.175 -0.439
29 HH21 ARG 3 HH21 ARG 3 3.089 -1.489 -1.944
30 HH22 ARG 3 HH22 ARG 3 4.676 -1.873 -1.368
31 H ILE 4 HN ILE 4 2.068 6.086 2.188
32 HA ILE 4 HA ILE 4 -0.770 6.536 1.907
33 HB ILE 4 HB ILE 4 -0.633 5.284 4.347
34 HG12 ILE 4 HG12 ILE 4 1.769 4.584 3.438
35 HG13 ILE 4 HG11 ILE 4 0.759 3.431 4.378
36 HG21 ILE 4 HG21 ILE 4 -1.781 3.314 3.071
37 HG22 ILE 4 HG22 ILE 4 -1.462 4.260 1.568
38 HG23 ILE 4 HG23 ILE 4 -2.503 4.955 2.868
39 HD11 ILE 4 HD11 ILE 4 0.244 2.121 2.469
40 HD12 ILE 4 HD12 ILE 4 1.933 2.651 2.116
41 HD13 ILE 4 HD13 ILE 4 0.541 3.485 1.324
42 H SER 5 HN SER 5 1.809 7.696 2.045
43 HA SER 5 HA SER 5 1.426 9.456 4.282
44 HB2 SER 5 HB2 SER 5 4.095 8.005 3.848
45 HB3 SER 5 HB1 SER 5 3.864 9.423 4.947
46 HG SER 5 HG SER 5 1.998 7.613 5.491
47 H ARG 6 HN ARG 6 2.793 8.475 1.235
48 HA ARG 6 HA ARG 6 3.483 11.220 0.738
49 HB2 ARG 6 HB2 ARG 6 5.169 10.385 -0.585
50 HB3 ARG 6 HB1 ARG 6 4.925 8.915 0.424
51 HG2 ARG 6 HG2 ARG 6 4.766 7.960 -1.706
52 HG3 ARG 6 HG1 ARG 6 3.030 8.337 -1.401
53 HD2 ARG 6 HD2 ARG 6 3.686 9.070 -3.694
54 HD3 ARG 6 HD1 ARG 6 3.310 10.512 -2.660
55 HE ARG 6 HE ARG 6 5.604 11.116 -2.690
56 HH11 ARG 6 HH11 ARG 6 5.080 7.889 -4.120
57 HH12 ARG 6 HH12 ARG 6 6.678 7.751 -4.772
58 HH21 ARG 6 HH21 ARG 6 7.775 10.922 -3.579
59 HH22 ARG 6 HH22 ARG 6 8.234 9.503 -4.459
60 H ILE 7 HN ILE 7 1.234 8.689 0.431
61 HA ILE 7 HA ILE 7 0.318 9.435 -2.102
62 HB ILE 7 HB ILE 7 -0.188 7.480 -0.069
63 HG12 ILE 7 HG12 ILE 7 0.768 6.983 -2.163
64 HG13 ILE 7 HG11 ILE 7 -0.864 6.183 -2.100
65 HG21 ILE 7 HG21 ILE 7 -2.356 8.647 0.263
66 HG22 ILE 7 HG22 ILE 7 -2.593 7.025 -0.485
67 HG23 ILE 7 HG23 ILE 7 -2.695 8.504 -1.506
68 HD11 ILE 7 HD11 ILE 7 0.080 8.402 -3.794
69 HD12 ILE 7 HD12 ILE 7 -1.381 8.866 -2.816
70 HD13 ILE 7 HD13 ILE 7 -1.439 7.424 -3.946
71 H ILE 8 HN ILE 8 0.386 10.559 0.772
72 HA ILE 8 HA ILE 8 -2.274 11.421 0.626
73 HB ILE 8 HB ILE 8 -0.129 10.886 2.470
74 HG12 ILE 8 HG12 ILE 8 -3.144 10.429 2.558
75 HG13 ILE 8 HG11 ILE 8 -1.878 9.329 1.894
76 HG21 ILE 8 HG21 ILE 8 -0.482 13.137 3.350
77 HG22 ILE 8 HG22 ILE 8 -1.550 12.123 4.392
78 HG23 ILE 8 HG23 ILE 8 -2.259 13.075 3.033
79 HD11 ILE 8 HD11 ILE 8 -2.572 9.929 4.780
80 HD12 ILE 8 HD12 ILE 8 -0.833 9.659 4.378
81 HD13 ILE 8 HD13 ILE 8 -2.053 8.386 4.000
82 H LEU 9 HN LEU 9 -0.164 11.933 -0.987
83 HA LEU 9 HA LEU 9 -0.159 14.781 -1.261
84 HB2 LEU 9 HB2 LEU 9 2.352 13.185 -1.720
85 HB3 LEU 9 HB1 LEU 9 2.216 14.961 -1.436
86 HG LEU 9 HG LEU 9 1.753 12.779 0.589
87 HD11 LEU 9 HD11 LEU 9 3.946 13.261 1.523
88 HD12 LEU 9 HD12 LEU 9 4.132 14.736 0.501
89 HD13 LEU 9 HD13 LEU 9 4.183 13.101 -0.261
90 HD21 LEU 9 HD21 LEU 9 2.223 15.658 1.388
91 HD22 LEU 9 HD22 LEU 9 1.244 14.360 2.184
92 HD23 LEU 9 HD23 LEU 9 0.630 15.177 0.710
93 H DAS 10 HN DAS 10 0.530 11.539 -2.072
94 HA DAS 10 HA DAS 10 0.517 10.484 -3.940
95 HB2 DAS 10 HB2 DAS 10 0.321 12.935 -5.624
96 HB3 DAS 10 HB1 DAS 10 1.806 12.691 -4.661
97 H PHE 11 HN PHE 11 -1.747 12.530 -2.820
98 HA PHE 11 HA PHE 11 -3.686 11.864 -4.889
99 HB2 PHE 11 HB2 PHE 11 -5.194 10.848 -3.364
100 HB3 PHE 11 HB1 PHE 11 -3.610 10.330 -2.664
101 HD1 PHE 11 HD1 PHE 11 -6.588 11.164 -1.517
102 HD2 PHE 11 HD2 PHE 11 -2.658 12.681 -1.503
103 HE1 PHE 11 HE1 PHE 11 -7.027 12.372 0.559
104 HE2 PHE 11 HE2 PHE 11 -3.045 13.855 0.447
105 HZ PHE 11 HZ PHE 11 -5.258 13.747 1.593
106 H LEU 12 HN LEU 12 -1.886 14.115 -3.355
107 HA LEU 12 HA LEU 12 -4.021 15.813 -2.449
108 HB2 LEU 12 HB2 LEU 12 -1.021 15.926 -2.442
109 HB3 LEU 12 HB1 LEU 12 -1.966 17.440 -2.215
110 HG LEU 12 HG LEU 12 -2.046 14.938 -0.583
111 HD11 LEU 12 HD11 LEU 12 0.025 16.352 -0.525
112 HD12 LEU 12 HD12 LEU 12 -0.822 16.249 1.076
113 HD13 LEU 12 HD13 LEU 12 -0.979 17.737 0.064
114 HD21 LEU 12 HD21 LEU 12 -3.434 16.415 1.022
115 HD22 LEU 12 HD22 LEU 12 -4.265 15.864 -0.484
116 HD23 LEU 12 HD23 LEU 12 -3.632 17.550 -0.367
117 H PHE 13 HN PHE 13 -1.131 15.886 -4.391
118 HA PHE 13 HA PHE 13 -2.186 18.360 -5.552
119 HB2 PHE 13 HB2 PHE 13 -0.072 17.308 -7.211
120 HB3 PHE 13 HB1 PHE 13 0.024 18.734 -6.117
121 HD1 PHE 13 HD1 PHE 13 1.160 15.776 -6.998
122 HD2 PHE 13 HD2 PHE 13 0.227 18.118 -3.625
123 HE1 PHE 13 HE1 PHE 13 2.411 14.302 -5.673
124 HE2 PHE 13 HE2 PHE 13 1.536 16.631 -2.256
125 HZ PHE 13 HZ PHE 13 2.584 14.720 -3.331
126 H LEU 14 HN LEU 14 -2.135 15.055 -5.563
127 HA LEU 14 HA LEU 14 -2.381 14.666 -8.339
128 HB2 LEU 14 HB2 LEU 14 -2.354 13.011 -5.886
129 HB3 LEU 14 HB1 LEU 14 -3.363 12.334 -7.229
130 HG LEU 14 HG LEU 14 -0.781 11.752 -7.068
131 HD11 LEU 14 HD11 LEU 14 -0.835 12.195 -9.818
132 HD12 LEU 14 HD12 LEU 14 -2.591 12.282 -9.399
133 HD13 LEU 14 HD13 LEU 14 -1.632 10.808 -8.980
134 HD21 LEU 14 HD21 LEU 14 -0.193 14.286 -6.918
135 HD22 LEU 14 HD22 LEU 14 -0.507 14.344 -8.695
136 HD23 LEU 14 HD23 LEU 14 0.788 13.271 -8.042
137 H ARG 15 HN ARG 15 -4.271 15.890 -5.940
138 HA ARG 15 HA ARG 15 -6.804 15.129 -7.009
139 HB2 ARG 15 HB2 ARG 15 -5.618 15.914 -4.635
140 HB3 ARG 15 HB1 ARG 15 -6.605 17.323 -5.113
141 HG2 ARG 15 HG2 ARG 15 -8.598 16.249 -4.697
142 HG3 ARG 15 HG1 ARG 15 -7.976 14.645 -5.236
143 HD2 ARG 15 HD2 ARG 15 -8.380 15.278 -2.571
144 HD3 ARG 15 HD1 ARG 15 -7.124 14.109 -3.168
145 HE ARG 15 HE ARG 15 -5.521 15.549 -2.377
146 HH11 ARG 15 HH11 ARG 15 -8.401 17.475 -3.182
147 HH12 ARG 15 HH12 ARG 15 -7.634 19.005 -2.921
148 HH21 ARG 15 HH21 ARG 15 -4.427 17.579 -2.221
149 HH22 ARG 15 HH22 ARG 15 -5.313 19.069 -2.361
150 H LYS 16 HN LYS 16 -4.668 17.751 -6.324
151 HA LYS 16 HA LYS 16 -6.131 19.897 -7.229
152 HB2 LYS 16 HB2 LYS 16 -3.194 19.277 -6.908
153 HB3 LYS 16 HB1 LYS 16 -3.747 20.911 -7.439
154 HG2 LYS 16 HG2 LYS 16 -5.026 21.177 -5.339
155 HG3 LYS 16 HG1 LYS 16 -4.586 19.505 -4.839
156 HD2 LYS 16 HD2 LYS 16 -2.194 20.097 -4.812
157 HD3 LYS 16 HD1 LYS 16 -2.571 21.743 -5.425
158 HE2 LYS 16 HE2 LYS 16 -3.633 20.633 -2.738
159 HE3 LYS 16 HE1 LYS 16 -2.131 21.635 -2.901
160 HZ1 LYS 16 HZ1 LYS 16 -4.310 22.828 -4.268
161 HZ2 LYS 16 HZ2 LYS 16 -3.352 23.431 -3.003
162 HZ3 LYS 16 HZ3 LYS 16 -4.732 22.504 -2.656
163 H LYS 17 HN LYS 17 -3.677 17.853 -8.841
164 HA LYS 17 HA LYS 17 -4.854 18.792 -11.296
165 HB2 LYS 17 HB2 LYS 17 -2.353 18.744 -12.272
166 HB3 LYS 17 HB1 LYS 17 -3.037 20.243 -11.561
167 HG2 LYS 17 HG2 LYS 17 -1.641 18.357 -9.653
168 HG3 LYS 17 HG1 LYS 17 -0.611 19.195 -10.859
169 HD2 LYS 17 HD2 LYS 17 -1.030 21.315 -9.972
170 HD3 LYS 17 HD1 LYS 17 -2.646 20.859 -9.334
171 HE2 LYS 17 HE2 LYS 17 -1.376 21.026 -7.335
172 HE3 LYS 17 HE1 LYS 17 -1.219 19.260 -7.705
173 HZ1 LYS 17 HZ1 LYS 17 0.856 20.603 -7.168
174 HZ2 LYS 17 HZ2 LYS 17 0.732 21.231 -8.740
175 HZ3 LYS 17 HZ3 LYS 17 0.904 19.558 -8.505
Start of MODEL 19
1 H1 GLU 1 HT1 GLU 1 9.656 4.336 4.375
2 H2 GLU 1 HT2 GLU 1 10.754 3.454 3.426
3 H3 GLU 1 HT3 GLU 1 9.357 2.699 4.030
4 HA GLU 1 HA GLU 1 9.064 5.055 2.350
5 HB2 GLU 1 HB2 GLU 1 8.948 3.451 0.319
6 HB3 GLU 1 HB1 GLU 1 10.589 3.832 0.948
7 HG2 GLU 1 HG2 GLU 1 10.602 1.658 2.236
8 HG3 GLU 1 HG1 GLU 1 8.970 1.264 1.561
9 H MET 2 HN MET 2 6.891 5.497 2.193
10 HA MET 2 HA MET 2 5.102 3.206 2.230
11 HB2 MET 2 HB2 MET 2 5.247 5.364 4.322
12 HB3 MET 2 HB1 MET 2 3.604 5.018 3.679
13 HG2 MET 2 HG2 MET 2 4.004 2.555 4.179
14 HG3 MET 2 HG1 MET 2 5.541 3.016 4.980
15 HE1 MET 2 HE1 MET 2 5.954 4.079 6.867
16 HE2 MET 2 HE2 MET 2 4.854 4.578 8.196
17 HE3 MET 2 HE3 MET 2 5.048 5.628 6.752
18 H ARG 3 HN ARG 3 3.163 3.570 1.066
19 HA ARG 3 HA ARG 3 3.210 6.092 -0.395
20 HB2 ARG 3 HB2 ARG 3 2.355 3.282 -1.171
21 HB3 ARG 3 HB1 ARG 3 1.555 4.699 -1.947
22 HG2 ARG 3 HG2 ARG 3 3.361 4.190 -3.397
23 HG3 ARG 3 HG1 ARG 3 3.912 5.596 -2.411
24 HD2 ARG 3 HD2 ARG 3 5.338 4.228 -1.024
25 HD3 ARG 3 HD1 ARG 3 4.591 2.687 -1.640
26 HE ARG 3 HE ARG 3 5.690 4.139 -3.877
27 HH11 ARG 3 HH11 ARG 3 6.634 2.384 -0.928
28 HH12 ARG 3 HH12 ARG 3 8.177 1.875 -1.536
29 HH21 ARG 3 HH21 ARG 3 7.784 3.443 -4.709
30 HH22 ARG 3 HH22 ARG 3 8.837 2.487 -3.721
31 H ILE 4 HN ILE 4 2.458 5.839 2.133
32 HA ILE 4 HA ILE 4 -0.335 6.583 1.949
33 HB ILE 4 HB ILE 4 0.066 5.281 4.468
34 HG12 ILE 4 HG12 ILE 4 1.887 4.062 3.057
35 HG13 ILE 4 HG11 ILE 4 0.726 3.068 4.001
36 HG21 ILE 4 HG21 ILE 4 -2.138 5.578 3.587
37 HG22 ILE 4 HG22 ILE 4 -1.858 3.801 3.457
38 HG23 ILE 4 HG23 ILE 4 -1.704 4.849 1.996
39 HD11 ILE 4 HD11 ILE 4 1.339 2.774 1.261
40 HD12 ILE 4 HD12 ILE 4 -0.247 3.629 1.237
41 HD13 ILE 4 HD13 ILE 4 -0.085 2.055 2.108
42 H SER 5 HN SER 5 2.294 7.612 1.971
43 HA SER 5 HA SER 5 1.968 9.602 3.928
44 HB2 SER 5 HB2 SER 5 4.394 7.708 4.213
45 HB3 SER 5 HB1 SER 5 4.323 9.359 4.947
46 HG SER 5 HG SER 5 2.139 7.755 5.462
47 H ARG 6 HN ARG 6 1.821 9.177 1.234
48 HA ARG 6 HA ARG 6 3.571 11.068 0.300
49 HB2 ARG 6 HB2 ARG 6 5.290 9.845 -0.541
50 HB3 ARG 6 HB1 ARG 6 4.613 8.412 0.301
51 HG2 ARG 6 HG2 ARG 6 4.787 7.724 -1.955
52 HG3 ARG 6 HG1 ARG 6 3.053 8.147 -1.753
53 HD2 ARG 6 HD2 ARG 6 3.744 9.174 -3.855
54 HD3 ARG 6 HD1 ARG 6 3.688 10.525 -2.643
55 HE ARG 6 HE ARG 6 6.048 10.686 -2.743
56 HH11 ARG 6 HH11 ARG 6 4.887 7.747 -4.397
57 HH12 ARG 6 HH12 ARG 6 6.413 7.370 -5.123
58 HH21 ARG 6 HH21 ARG 6 8.117 10.169 -3.731
59 HH22 ARG 6 HH22 ARG 6 8.280 8.771 -4.737
60 H ILE 7 HN ILE 7 1.169 8.418 0.013
61 HA ILE 7 HA ILE 7 0.108 9.725 -2.379
62 HB ILE 7 HB ILE 7 -0.913 7.342 -0.900
63 HG12 ILE 7 HG12 ILE 7 1.175 6.741 -1.679
64 HG13 ILE 7 HG11 ILE 7 0.104 6.240 -3.051
65 HG21 ILE 7 HG21 ILE 7 -1.904 7.182 -3.488
66 HG22 ILE 7 HG22 ILE 7 -1.839 8.971 -3.240
67 HG23 ILE 7 HG23 ILE 7 -2.786 7.941 -2.104
68 HD11 ILE 7 HD11 ILE 7 1.940 7.567 -4.012
69 HD12 ILE 7 HD12 ILE 7 1.697 8.847 -2.744
70 HD13 ILE 7 HD13 ILE 7 0.448 8.593 -4.007
71 H ILE 8 HN ILE 8 0.534 10.498 0.250
72 HA ILE 8 HA ILE 8 -2.115 11.146 0.657
73 HB ILE 8 HB ILE 8 0.251 10.348 2.073
74 HG12 ILE 8 HG12 ILE 8 -2.779 10.070 2.471
75 HG13 ILE 8 HG11 ILE 8 -1.619 8.903 1.734
76 HG21 ILE 8 HG21 ILE 8 -0.663 11.466 4.319
77 HG22 ILE 8 HG22 ILE 8 -1.641 12.544 3.255
78 HG23 ILE 8 HG23 ILE 8 0.161 12.568 3.154
79 HD11 ILE 8 HD11 ILE 8 -1.547 7.940 3.799
80 HD12 ILE 8 HD12 ILE 8 -2.264 9.389 4.606
81 HD13 ILE 8 HD13 ILE 8 -0.495 9.334 4.251
82 H LEU 9 HN LEU 9 -0.167 11.793 -1.145
83 HA LEU 9 HA LEU 9 -0.152 14.656 -1.152
84 HB2 LEU 9 HB2 LEU 9 2.347 13.120 -1.875
85 HB3 LEU 9 HB1 LEU 9 2.211 14.870 -1.475
86 HG LEU 9 HG LEU 9 1.867 12.568 0.445
87 HD11 LEU 9 HD11 LEU 9 4.216 14.560 0.402
88 HD12 LEU 9 HD12 LEU 9 4.256 13.019 -0.535
89 HD13 LEU 9 HD13 LEU 9 4.103 12.981 1.266
90 HD21 LEU 9 HD21 LEU 9 0.733 14.946 0.746
91 HD22 LEU 9 HD22 LEU 9 2.354 15.407 1.375
92 HD23 LEU 9 HD23 LEU 9 1.424 14.057 2.141
93 H DAS 10 HN DAS 10 0.585 11.517 -2.300
94 HA DAS 10 HA DAS 10 0.448 10.650 -4.262
95 HB2 DAS 10 HB2 DAS 10 0.043 13.201 -5.724
96 HB3 DAS 10 HB1 DAS 10 1.578 13.017 -4.828
97 H PHE 11 HN PHE 11 -1.773 12.513 -2.791
98 HA PHE 11 HA PHE 11 -3.858 11.985 -4.746
99 HB2 PHE 11 HB2 PHE 11 -5.135 10.631 -3.269
100 HB3 PHE 11 HB1 PHE 11 -3.471 10.197 -2.704
101 HD1 PHE 11 HD1 PHE 11 -6.498 10.832 -1.380
102 HD2 PHE 11 HD2 PHE 11 -2.572 12.341 -1.372
103 HE1 PHE 11 HE1 PHE 11 -6.892 11.930 0.755
104 HE2 PHE 11 HE2 PHE 11 -2.909 13.422 0.630
105 HZ PHE 11 HZ PHE 11 -5.097 13.248 1.834
106 H LEU 12 HN LEU 12 -2.031 14.180 -3.304
107 HA LEU 12 HA LEU 12 -4.177 15.648 -2.018
108 HB2 LEU 12 HB2 LEU 12 -1.185 15.945 -2.155
109 HB3 LEU 12 HB1 LEU 12 -2.214 17.346 -1.698
110 HG LEU 12 HG LEU 12 -2.047 14.674 -0.371
111 HD11 LEU 12 HD11 LEU 12 -0.048 16.183 -0.296
112 HD12 LEU 12 HD12 LEU 12 -0.769 15.856 1.337
113 HD13 LEU 12 HD13 LEU 12 -1.069 17.437 0.517
114 HD21 LEU 12 HD21 LEU 12 -4.294 15.452 -0.053
115 HD22 LEU 12 HD22 LEU 12 -3.752 17.157 0.181
116 HD23 LEU 12 HD23 LEU 12 -3.414 15.919 1.454
117 H PHE 13 HN PHE 13 -1.410 15.999 -4.106
118 HA PHE 13 HA PHE 13 -2.631 18.539 -4.968
119 HB2 PHE 13 HB2 PHE 13 -0.486 17.911 -6.753
120 HB3 PHE 13 HB1 PHE 13 -0.432 19.118 -5.422
121 HD1 PHE 13 HD1 PHE 13 0.699 16.326 -6.822
122 HD2 PHE 13 HD2 PHE 13 0.011 18.192 -3.111
123 HE1 PHE 13 HE1 PHE 13 2.084 14.727 -5.806
124 HE2 PHE 13 HE2 PHE 13 1.452 16.574 -2.055
125 HZ PHE 13 HZ PHE 13 2.439 14.833 -3.452
126 H LEU 14 HN LEU 14 -2.399 15.222 -5.352
127 HA LEU 14 HA LEU 14 -2.523 15.152 -8.162
128 HB2 LEU 14 HB2 LEU 14 -2.596 13.218 -5.921
129 HB3 LEU 14 HB1 LEU 14 -3.611 12.715 -7.341
130 HG LEU 14 HG LEU 14 -1.005 12.096 -7.166
131 HD11 LEU 14 HD11 LEU 14 -2.773 12.763 -9.525
132 HD12 LEU 14 HD12 LEU 14 -1.987 11.205 -9.058
133 HD13 LEU 14 HD13 LEU 14 -1.019 12.496 -9.869
134 HD21 LEU 14 HD21 LEU 14 -0.385 14.619 -6.969
135 HD22 LEU 14 HD22 LEU 14 -0.743 14.724 -8.737
136 HD23 LEU 14 HD23 LEU 14 0.555 13.625 -8.143
137 H ARG 15 HN ARG 15 -4.464 16.567 -6.180
138 HA ARG 15 HA ARG 15 -6.912 15.729 -7.446
139 HB2 ARG 15 HB2 ARG 15 -6.047 16.507 -4.820
140 HB3 ARG 15 HB1 ARG 15 -7.239 17.726 -5.400
141 HG2 ARG 15 HG2 ARG 15 -8.944 16.320 -4.882
142 HG3 ARG 15 HG1 ARG 15 -8.299 15.103 -6.043
143 HD2 ARG 15 HD2 ARG 15 -6.600 15.038 -3.697
144 HD3 ARG 15 HD1 ARG 15 -8.322 14.989 -3.129
145 HE ARG 15 HE ARG 15 -8.540 12.858 -4.132
146 HH11 ARG 15 HH11 ARG 15 -5.667 14.510 -5.401
147 HH12 ARG 15 HH12 ARG 15 -4.985 13.086 -6.117
148 HH21 ARG 15 HH21 ARG 15 -7.609 10.929 -5.065
149 HH22 ARG 15 HH22 ARG 15 -6.108 11.021 -5.925
150 H LYS 16 HN LYS 16 -4.518 18.142 -6.896
151 HA LYS 16 HA LYS 16 -5.860 20.425 -7.723
152 HB2 LYS 16 HB2 LYS 16 -2.940 19.568 -7.727
153 HB3 LYS 16 HB1 LYS 16 -3.455 21.222 -8.220
154 HG2 LYS 16 HG2 LYS 16 -4.447 21.581 -5.981
155 HG3 LYS 16 HG1 LYS 16 -4.024 19.894 -5.522
156 HD2 LYS 16 HD2 LYS 16 -2.280 21.181 -4.584
157 HD3 LYS 16 HD1 LYS 16 -1.594 20.512 -6.102
158 HE2 LYS 16 HE2 LYS 16 -1.927 22.664 -7.280
159 HE3 LYS 16 HE1 LYS 16 -2.767 23.360 -5.831
160 HZ1 LYS 16 HZ1 LYS 16 -0.593 22.714 -4.649
161 HZ2 LYS 16 HZ2 LYS 16 -0.640 24.103 -5.625
162 HZ3 LYS 16 HZ3 LYS 16 0.074 22.678 -6.210
163 H LYS 17 HN LYS 17 -4.095 17.834 -9.328
164 HA LYS 17 HA LYS 17 -3.845 19.071 -11.789
165 HB2 LYS 17 HB2 LYS 17 -4.383 16.083 -11.687
166 HB3 LYS 17 HB1 LYS 17 -3.229 16.986 -12.728
167 HG2 LYS 17 HG2 LYS 17 -2.911 16.513 -9.701
168 HG3 LYS 17 HG1 LYS 17 -2.092 15.585 -10.997
169 HD2 LYS 17 HD2 LYS 17 -0.509 17.187 -11.305
170 HD3 LYS 17 HD1 LYS 17 -1.720 18.516 -11.315
171 HE2 LYS 17 HE2 LYS 17 -1.658 18.755 -8.920
172 HE3 LYS 17 HE1 LYS 17 -0.872 17.137 -8.693
173 HZ1 LYS 17 HZ1 LYS 17 1.134 17.952 -9.277
174 HZ2 LYS 17 HZ2 LYS 17 0.464 19.377 -8.643
175 HZ3 LYS 17 HZ3 LYS 17 0.521 19.140 -10.322
Start of MODEL 20
1 H1 GLU 1 HT1 GLU 1 6.724 1.373 -2.835
2 H2 GLU 1 HT2 GLU 1 7.553 2.795 -2.420
3 H3 GLU 1 HT3 GLU 1 5.870 2.829 -2.648
4 HA GLU 1 HA GLU 1 6.140 0.933 -0.777
5 HB2 GLU 1 HB2 GLU 1 8.193 3.169 -0.316
6 HB3 GLU 1 HB1 GLU 1 7.572 2.130 1.015
7 HG2 GLU 1 HG2 GLU 1 8.496 0.095 -0.070
8 HG3 GLU 1 HG1 GLU 1 9.029 1.066 -1.500
9 H MET 2 HN MET 2 6.214 4.522 -1.197
10 HA MET 2 HA MET 2 4.730 6.080 -0.615
11 HB2 MET 2 HB2 MET 2 2.918 3.983 0.682
12 HB3 MET 2 HB1 MET 2 2.467 5.658 0.207
13 HG2 MET 2 HG2 MET 2 2.589 5.077 -2.164
14 HG3 MET 2 HG1 MET 2 3.388 3.513 -1.823
15 HE1 MET 2 HE1 MET 2 0.012 2.472 -3.405
16 HE2 MET 2 HE2 MET 2 1.806 2.376 -3.444
17 HE3 MET 2 HE3 MET 2 0.984 3.942 -3.763
18 H ARG 3 HN ARG 3 3.977 7.233 1.362
19 HA ARG 3 HA ARG 3 5.287 6.078 3.653
20 HB2 ARG 3 HB2 ARG 3 4.595 9.014 3.285
21 HB3 ARG 3 HB1 ARG 3 5.574 8.296 4.617
22 HG2 ARG 3 HG2 ARG 3 6.312 8.471 1.646
23 HG3 ARG 3 HG1 ARG 3 7.110 9.313 3.026
24 HD2 ARG 3 HD2 ARG 3 7.775 7.031 3.964
25 HD3 ARG 3 HD1 ARG 3 7.071 6.265 2.470
26 HE ARG 3 HE ARG 3 9.015 8.392 1.854
27 HH11 ARG 3 HH11 ARG 3 8.535 4.982 2.765
28 HH12 ARG 3 HH12 ARG 3 10.028 4.427 2.081
29 HH21 ARG 3 HH21 ARG 3 11.051 7.642 0.934
30 HH22 ARG 3 HH22 ARG 3 11.484 5.967 1.029
31 H ILE 4 HN ILE 4 2.496 6.401 2.103
32 HA ILE 4 HA ILE 4 0.349 6.265 2.667
33 HB ILE 4 HB ILE 4 0.763 5.609 5.519
34 HG12 ILE 4 HG12 ILE 4 2.827 4.708 4.618
35 HG13 ILE 4 HG11 ILE 4 1.719 3.375 5.058
36 HG21 ILE 4 HG21 ILE 4 -0.780 3.689 4.794
37 HG22 ILE 4 HG22 ILE 4 -0.713 4.344 3.113
38 HG23 ILE 4 HG23 ILE 4 -1.428 5.336 4.440
39 HD11 ILE 4 HD11 ILE 4 1.357 4.117 2.230
40 HD12 ILE 4 HD12 ILE 4 1.859 2.531 2.936
41 HD13 ILE 4 HD13 ILE 4 3.102 3.802 2.586
42 H SER 5 HN SER 5 2.098 8.397 3.008
43 HA SER 5 HA SER 5 0.330 10.125 3.983
44 HB2 SER 5 HB2 SER 5 1.735 11.210 5.874
45 HB3 SER 5 HB1 SER 5 0.971 9.638 6.331
46 HG SER 5 HG SER 5 2.938 8.628 5.739
47 H ARG 6 HN ARG 6 1.650 9.406 1.765
48 HA ARG 6 HA ARG 6 3.132 11.758 1.249
49 HB2 ARG 6 HB2 ARG 6 5.123 10.598 1.262
50 HB3 ARG 6 HB1 ARG 6 4.241 9.047 1.436
51 HG2 ARG 6 HG2 ARG 6 5.489 8.966 -0.645
52 HG3 ARG 6 HG1 ARG 6 3.734 9.076 -1.032
53 HD2 ARG 6 HD2 ARG 6 4.668 10.693 -2.511
54 HD3 ARG 6 HD1 ARG 6 4.194 11.710 -1.082
55 HE ARG 6 HE ARG 6 6.494 12.007 -0.556
56 HH11 ARG 6 HH11 ARG 6 6.048 9.556 -3.109
57 HH12 ARG 6 HH12 ARG 6 7.728 9.457 -3.517
58 HH21 ARG 6 HH21 ARG 6 8.774 11.870 -1.116
59 HH22 ARG 6 HH22 ARG 6 9.302 10.793 -2.365
60 H ILE 7 HN ILE 7 1.519 8.665 0.357
61 HA ILE 7 HA ILE 7 1.155 9.791 -2.318
62 HB ILE 7 HB ILE 7 -0.938 7.854 -1.696
63 HG12 ILE 7 HG12 ILE 7 0.684 5.896 -1.562
64 HG13 ILE 7 HG11 ILE 7 1.927 7.096 -1.037
65 HG21 ILE 7 HG21 ILE 7 1.462 7.866 -3.648
66 HG22 ILE 7 HG22 ILE 7 -0.204 8.474 -3.979
67 HG23 ILE 7 HG23 ILE 7 0.076 6.712 -3.712
68 HD11 ILE 7 HD11 ILE 7 -0.284 5.945 0.512
69 HD12 ILE 7 HD12 ILE 7 -0.475 7.747 0.388
70 HD13 ILE 7 HD13 ILE 7 1.046 7.037 1.057
71 H ILE 8 HN ILE 8 0.293 10.331 0.702
72 HA ILE 8 HA ILE 8 -2.439 10.729 0.142
73 HB ILE 8 HB ILE 8 -0.701 10.638 2.541
74 HG12 ILE 8 HG12 ILE 8 -3.295 9.208 1.726
75 HG13 ILE 8 HG11 ILE 8 -1.637 8.627 1.369
76 HG21 ILE 8 HG21 ILE 8 -3.471 11.965 2.276
77 HG22 ILE 8 HG22 ILE 8 -2.070 12.448 3.308
78 HG23 ILE 8 HG23 ILE 8 -3.097 11.044 3.782
79 HD11 ILE 8 HD11 ILE 8 -3.211 8.344 3.833
80 HD12 ILE 8 HD12 ILE 8 -1.633 9.149 4.166
81 HD13 ILE 8 HD13 ILE 8 -1.668 7.538 3.353
82 H LEU 9 HN LEU 9 -0.226 11.864 -0.986
83 HA LEU 9 HA LEU 9 -0.802 14.661 -0.912
84 HB2 LEU 9 HB2 LEU 9 2.035 13.620 -0.964
85 HB3 LEU 9 HB1 LEU 9 1.495 15.305 -0.615
86 HG LEU 9 HG LEU 9 1.097 12.876 1.133
87 HD11 LEU 9 HD11 LEU 9 2.939 15.281 1.719
88 HD12 LEU 9 HD12 LEU 9 3.524 13.834 0.817
89 HD13 LEU 9 HD13 LEU 9 2.929 13.662 2.513
90 HD21 LEU 9 HD21 LEU 9 -0.536 14.941 1.161
91 HD22 LEU 9 HD22 LEU 9 0.756 15.728 2.127
92 HD23 LEU 9 HD23 LEU 9 -0.006 14.190 2.698
93 H DAS 10 HN DAS 10 0.791 11.822 -1.912
94 HA DAS 10 HA DAS 10 1.374 11.112 -3.873
95 HB2 DAS 10 HB2 DAS 10 0.846 13.689 -5.258
96 HB3 DAS 10 HB1 DAS 10 2.155 13.641 -4.041
97 H PHE 11 HN PHE 11 -1.499 12.245 -2.941
98 HA PHE 11 HA PHE 11 -2.804 11.588 -5.484
99 HB2 PHE 11 HB2 PHE 11 -4.314 10.087 -4.439
100 HB3 PHE 11 HB1 PHE 11 -2.822 9.796 -3.465
101 HD1 PHE 11 HD1 PHE 11 -6.086 9.872 -2.928
102 HD2 PHE 11 HD2 PHE 11 -2.653 12.080 -1.885
103 HE1 PHE 11 HE1 PHE 11 -7.178 10.671 -0.895
104 HE2 PHE 11 HE2 PHE 11 -3.664 12.873 0.037
105 HZ PHE 11 HZ PHE 11 -5.985 12.190 0.640
106 H LEU 12 HN LEU 12 -1.935 13.928 -3.370
107 HA LEU 12 HA LEU 12 -4.551 14.951 -2.783
108 HB2 LEU 12 HB2 LEU 12 -1.733 15.751 -2.135
109 HB3 LEU 12 HB1 LEU 12 -3.059 16.955 -1.964
110 HG LEU 12 HG LEU 12 -2.790 14.290 -0.642
111 HD11 LEU 12 HD11 LEU 12 -1.191 16.121 -0.023
112 HD12 LEU 12 HD12 LEU 12 -2.245 15.582 1.352
113 HD13 LEU 12 HD13 LEU 12 -2.603 17.130 0.492
114 HD21 LEU 12 HD21 LEU 12 -5.155 14.673 -0.926
115 HD22 LEU 12 HD22 LEU 12 -4.992 16.417 -0.487
116 HD23 LEU 12 HD23 LEU 12 -4.769 15.144 0.774
117 H PHE 13 HN PHE 13 -1.478 15.971 -4.052
118 HA PHE 13 HA PHE 13 -2.893 18.300 -5.127
119 HB2 PHE 13 HB2 PHE 13 -0.325 18.023 -6.412
120 HB3 PHE 13 HB1 PHE 13 -0.783 19.240 -5.167
121 HD1 PHE 13 HD1 PHE 13 1.215 16.814 -6.118
122 HD2 PHE 13 HD2 PHE 13 -0.891 18.264 -2.769
123 HE1 PHE 13 HE1 PHE 13 2.546 15.459 -4.737
124 HE2 PHE 13 HE2 PHE 13 0.487 16.896 -1.335
125 HZ PHE 13 HZ PHE 13 2.172 15.497 -2.381
126 H LEU 14 HN LEU 14 -2.015 15.131 -5.497
127 HA LEU 14 HA LEU 14 -1.659 15.150 -8.287
128 HB2 LEU 14 HB2 LEU 14 -1.657 13.172 -6.086
129 HB3 LEU 14 HB1 LEU 14 -2.199 12.510 -7.683
130 HG LEU 14 HG LEU 14 0.378 12.516 -7.043
131 HD11 LEU 14 HD11 LEU 14 -1.066 12.986 -9.629
132 HD12 LEU 14 HD12 LEU 14 0.149 11.724 -9.185
133 HD13 LEU 14 HD13 LEU 14 0.698 13.372 -9.673
134 HD21 LEU 14 HD21 LEU 14 1.650 14.491 -7.480
135 HD22 LEU 14 HD22 LEU 14 0.255 15.063 -6.491
136 HD23 LEU 14 HD23 LEU 14 0.262 15.328 -8.277
137 H ARG 15 HN ARG 15 -4.198 15.500 -6.222
138 HA ARG 15 HA ARG 15 -6.222 14.368 -7.882
139 HB2 ARG 15 HB2 ARG 15 -5.715 15.043 -5.244
140 HB3 ARG 15 HB1 ARG 15 -6.930 16.239 -5.770
141 HG2 ARG 15 HG2 ARG 15 -8.621 14.682 -5.881
142 HG3 ARG 15 HG1 ARG 15 -7.528 13.368 -6.452
143 HD2 ARG 15 HD2 ARG 15 -8.535 13.472 -3.872
144 HD3 ARG 15 HD1 ARG 15 -6.941 12.722 -4.323
145 HE ARG 15 HE ARG 15 -5.916 14.346 -3.065
146 HH11 ARG 15 HH11 ARG 15 -8.998 15.678 -4.238
147 HH12 ARG 15 HH12 ARG 15 -8.696 17.280 -3.655
148 HH21 ARG 15 HH21 ARG 15 -5.411 16.520 -2.461
149 HH22 ARG 15 HH22 ARG 15 -6.603 17.775 -2.619
150 H LYS 16 HN LYS 16 -5.011 17.267 -6.466
151 HA LYS 16 HA LYS 16 -6.776 19.144 -7.432
152 HB2 LYS 16 HB2 LYS 16 -3.912 19.127 -6.500
153 HB3 LYS 16 HB1 LYS 16 -4.721 20.676 -6.952
154 HG2 LYS 16 HG2 LYS 16 -6.432 20.299 -5.201
155 HG3 LYS 16 HG1 LYS 16 -5.702 18.701 -4.814
156 HD2 LYS 16 HD2 LYS 16 -3.592 19.776 -4.137
157 HD3 LYS 16 HD1 LYS 16 -4.227 21.384 -4.628
158 HE2 LYS 16 HE2 LYS 16 -5.508 19.629 -2.423
159 HE3 LYS 16 HE1 LYS 16 -4.315 20.957 -2.105
160 HZ1 LYS 16 HZ1 LYS 16 -5.906 22.427 -2.305
161 HZ2 LYS 16 HZ2 LYS 16 -7.042 21.167 -2.389
162 HZ3 LYS 16 HZ3 LYS 16 -6.405 21.834 -3.815
163 H LYS 17 HN LYS 17 -3.592 18.042 -8.637
164 HA LYS 17 HA LYS 17 -4.425 19.163 -11.164
165 HB2 LYS 17 HB2 LYS 17 -1.803 19.725 -11.470
166 HB3 LYS 17 HB1 LYS 17 -2.948 20.933 -10.796
167 HG2 LYS 17 HG2 LYS 17 -1.688 19.064 -8.793
168 HG3 LYS 17 HG1 LYS 17 -0.575 20.203 -9.609
169 HD2 LYS 17 HD2 LYS 17 -1.658 22.114 -8.742
170 HD3 LYS 17 HD1 LYS 17 -3.200 21.241 -8.444
171 HE2 LYS 17 HE2 LYS 17 -2.379 20.208 -6.434
172 HE3 LYS 17 HE1 LYS 17 -0.647 20.494 -6.891
173 HZ1 LYS 17 HZ1 LYS 17 -0.768 22.655 -6.281
174 HZ2 LYS 17 HZ2 LYS 17 -1.876 21.991 -5.180
175 HZ3 LYS 17 HZ3 LYS 17 -2.435 22.803 -6.562
Contact the webmaster for help, if required. Saturday, May 4, 2024 2:34:24 AM GMT (wattos1)