Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
582828 | 2mj1 RC | 19701 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 HT1 LEU 1 -12.125 3.153 0.421
2 H2 LEU 1 HT2 LEU 1 -13.318 3.365 -0.760
3 H3 LEU 1 HT3 LEU 1 -12.034 2.299 -1.037
4 HA LEU 1 HA LEU 1 -14.117 1.985 1.044
5 HB2 LEU 1 HB2 LEU 1 -14.689 1.665 -1.470
6 HB3 LEU 1 HB1 LEU 1 -13.722 0.210 -1.350
7 HG LEU 1 HG LEU 1 -15.336 -0.310 0.679
8 HD11 LEU 1 HD11 LEU 1 -17.012 1.511 -1.045
9 HD12 LEU 1 HD12 LEU 1 -16.515 1.821 0.618
10 HD13 LEU 1 HD13 LEU 1 -17.610 0.485 0.260
11 HD21 LEU 1 HD21 LEU 1 -15.086 -1.695 -1.300
12 HD22 LEU 1 HD22 LEU 1 -16.126 -0.604 -2.216
13 HD23 LEU 1 HD23 LEU 1 -16.789 -1.532 -0.871
14 H VAL 2 HN VAL 2 -11.285 0.620 -0.607
15 HA VAL 2 HA VAL 2 -10.890 -1.189 1.689
16 HB VAL 2 HB VAL 2 -9.390 -1.720 -0.841
17 HG11 VAL 2 HG11 VAL 2 -9.100 -3.106 1.167
18 HG12 VAL 2 HG12 VAL 2 -9.723 -4.037 -0.195
19 HG13 VAL 2 HG13 VAL 2 -10.808 -3.540 1.103
20 HG21 VAL 2 HG21 VAL 2 -12.324 -2.393 -0.577
21 HG22 VAL 2 HG22 VAL 2 -11.241 -2.989 -1.834
22 HG23 VAL 2 HG23 VAL 2 -11.615 -1.269 -1.737
23 H PHE 3 HN PHE 3 -8.081 -1.762 0.816
24 HA PHE 3 HA PHE 3 -6.801 0.828 1.371
25 HB2 PHE 3 HB2 PHE 3 -6.285 -1.796 2.773
26 HB3 PHE 3 HB1 PHE 3 -5.174 -0.434 2.845
27 HD1 PHE 3 HD2 PHE 3 -8.416 -1.734 3.916
28 HD2 PHE 3 HD1 PHE 3 -5.726 1.559 4.099
29 HE1 PHE 3 HE2 PHE 3 -9.688 -0.805 5.806
30 HE2 PHE 3 HE1 PHE 3 -6.992 2.493 5.990
31 HZ PHE 3 HZ PHE 3 -8.976 1.311 6.846
32 H PHE 4 HN PHE 4 -6.822 -2.149 -0.338
33 HA PHE 4 HA PHE 4 -4.138 -2.414 -1.113
34 HB2 PHE 4 HB2 PHE 4 -6.209 -3.996 -1.420
35 HB3 PHE 4 HB1 PHE 4 -6.377 -3.166 -2.962
36 HD1 PHE 4 HD2 PHE 4 -4.180 -5.331 -0.942
37 HD2 PHE 4 HD1 PHE 4 -4.911 -3.621 -4.771
38 HE1 PHE 4 HE2 PHE 4 -2.515 -6.847 -1.933
39 HE2 PHE 4 HE1 PHE 4 -3.249 -5.136 -5.768
40 HZ PHE 4 HZ PHE 4 -2.048 -6.751 -4.349
41 H ALA 5 HN ALA 5 -6.835 -0.738 -2.738
42 HA ALA 5 HA ALA 5 -5.490 0.140 -5.031
43 HB1 ALA 5 HB1 ALA 5 -7.782 1.486 -3.609
44 HB2 ALA 5 HB2 ALA 5 -7.925 0.174 -4.779
45 HB3 ALA 5 HB3 ALA 5 -7.298 1.743 -5.286
46 H GLU 6 HN GLU 6 -5.462 1.387 -1.784
47 HA GLU 6 HA GLU 6 -4.113 3.855 -2.562
48 HB2 GLU 6 HB2 GLU 6 -5.129 2.803 0.078
49 HB3 GLU 6 HB1 GLU 6 -4.135 4.248 -0.035
50 HG2 GLU 6 HG2 GLU 6 -5.814 5.301 -1.457
51 HG3 GLU 6 HG1 GLU 6 -6.809 3.849 -1.359
52 H ASP 7 HN ASP 7 -3.501 0.814 -0.879
53 HA ASP 7 HA ASP 7 -0.844 1.411 -0.054
54 HB2 ASP 7 HB2 ASP 7 -2.479 -1.091 -0.214
55 HB3 ASP 7 HB1 ASP 7 -0.753 -1.192 0.117
56 H VAL 8 HN VAL 8 -2.196 0.098 -3.027
57 HA VAL 8 HA VAL 8 0.123 -1.114 -4.074
58 HB VAL 8 HB VAL 8 -0.919 -0.717 -6.357
59 HG11 VAL 8 HG11 VAL 8 -1.181 -2.793 -5.148
60 HG12 VAL 8 HG12 VAL 8 -2.677 -2.381 -5.987
61 HG13 VAL 8 HG13 VAL 8 -2.542 -2.124 -4.247
62 HG21 VAL 8 HG21 VAL 8 -3.306 -0.079 -6.390
63 HG22 VAL 8 HG22 VAL 8 -2.259 1.253 -5.900
64 HG23 VAL 8 HG23 VAL 8 -3.191 0.373 -4.689
65 H GLY 9 HN GLY 9 -0.684 2.238 -3.803
66 HA2 GLY 9 HA2 GLY 9 0.973 3.264 -5.885
67 HA3 GLY 9 HA1 GLY 9 0.331 4.174 -4.529
68 H SER 10 HN SER 10 1.672 2.130 -2.697
69 HA SER 10 HA SER 10 4.435 3.113 -2.951
70 HB2 SER 10 HB2 SER 10 2.773 2.817 -0.434
71 HB3 SER 10 HB1 SER 10 4.500 3.162 -0.436
72 HG SER 10 HG SER 10 3.548 4.932 -2.028
73 H ASN 11 HN ASN 11 2.377 0.638 -1.439
74 HA ASN 11 HA ASN 11 2.713 -1.506 -0.774
75 HB2 ASN 11 HB2 ASN 11 2.693 -1.383 -3.430
76 HB3 ASN 11 HB1 ASN 11 4.321 -2.021 -3.235
77 HD21 ASN 11 HD21 ASN 11 4.602 -4.116 -2.678
78 HD22 ASN 11 HD22 ASN 11 3.310 -5.243 -2.468
79 H LYS 12 HN LYS 12 4.578 -3.451 -1.061
80 HA LYS 12 HA LYS 12 6.365 -3.123 0.981
81 HB2 LYS 12 HB2 LYS 12 6.362 -4.934 -1.404
82 HB3 LYS 12 HB1 LYS 12 7.722 -4.960 -0.292
83 HG2 LYS 12 HG2 LYS 12 6.399 -6.644 0.545
84 HG3 LYS 12 HG1 LYS 12 5.883 -5.276 1.529
85 HD2 LYS 12 HD2 LYS 12 3.957 -4.945 0.038
86 HD3 LYS 12 HD1 LYS 12 4.475 -6.327 -0.928
87 HE2 LYS 12 HE2 LYS 12 3.865 -6.523 2.013
88 HE3 LYS 12 HE1 LYS 12 2.641 -6.760 0.766
89 HZ1 LYS 12 HZ1 LYS 12 3.963 -8.575 -0.133
90 HZ2 LYS 12 HZ2 LYS 12 3.582 -8.861 1.490
91 HZ3 LYS 12 HZ3 LYS 12 5.136 -8.346 1.065
92 H GLY 13 HN GLY 13 6.963 -2.600 -2.466
93 HA2 GLY 13 HA2 GLY 13 9.666 -2.051 -2.515
94 HA3 GLY 13 HA1 GLY 13 8.496 -1.364 -3.625
95 H ALA 14 HN ALA 14 7.033 0.338 -1.953
96 HA ALA 14 HA ALA 14 9.056 2.378 -1.470
97 HB1 ALA 14 HB1 ALA 14 6.094 2.432 -1.735
98 HB2 ALA 14 HB2 ALA 14 7.316 3.306 -2.656
99 HB3 ALA 14 HB3 ALA 14 6.939 3.792 -1.002
100 H ILE 15 HN ILE 15 6.600 0.557 0.418
101 HA ILE 15 HA ILE 15 7.035 2.046 2.803
102 HB ILE 15 HB ILE 15 5.873 0.310 4.054
103 HG12 ILE 15 HG12 ILE 15 5.226 -1.318 1.668
104 HG13 ILE 15 HG11 ILE 15 6.856 -1.509 2.309
105 HG21 ILE 15 HG21 ILE 15 4.562 1.975 2.892
106 HG22 ILE 15 HG22 ILE 15 3.717 0.427 2.884
107 HG23 ILE 15 HG23 ILE 15 4.548 0.985 1.432
108 HD11 ILE 15 HD11 ILE 15 4.298 -1.893 3.851
109 HD12 ILE 15 HD12 ILE 15 5.929 -2.089 4.491
110 HD13 ILE 15 HD13 ILE 15 5.341 -3.171 3.228
111 H ILE 16 HN ILE 16 8.841 -0.609 1.389
112 HA ILE 16 HA ILE 16 10.245 -1.177 3.856
113 HB ILE 16 HB ILE 16 9.829 -2.891 1.995
114 HG12 ILE 16 HG12 ILE 16 12.302 -3.806 2.312
115 HG13 ILE 16 HG11 ILE 16 12.378 -2.500 3.490
116 HG21 ILE 16 HG21 ILE 16 10.605 -1.641 0.070
117 HG22 ILE 16 HG22 ILE 16 11.545 -3.121 0.263
118 HG23 ILE 16 HG23 ILE 16 12.233 -1.571 0.745
119 HD11 ILE 16 HD11 ILE 16 10.445 -3.440 4.650
120 HD12 ILE 16 HD12 ILE 16 11.769 -4.599 4.541
121 HD13 ILE 16 HD13 ILE 16 10.375 -4.748 3.470
122 H GLY 17 HN GLY 17 10.894 0.585 0.857
123 HA2 GLY 17 HA2 GLY 17 13.547 1.404 1.512
124 HA3 GLY 17 HA1 GLY 17 12.532 2.078 0.248
125 H LEU 18 HN LEU 18 10.376 2.978 1.785
126 HA LEU 18 HA LEU 18 11.627 5.224 3.205
127 HB2 LEU 18 HB2 LEU 18 8.912 4.954 1.911
128 HB3 LEU 18 HB1 LEU 18 9.397 6.339 2.868
129 HG LEU 18 HG LEU 18 11.083 5.563 0.526
130 HD11 LEU 18 HD11 LEU 18 8.823 5.505 -0.365
131 HD12 LEU 18 HD12 LEU 18 9.681 6.932 -0.946
132 HD13 LEU 18 HD13 LEU 18 8.487 7.085 0.342
133 HD21 LEU 18 HD21 LEU 18 10.305 8.210 1.752
134 HD22 LEU 18 HD22 LEU 18 11.431 7.983 0.414
135 HD23 LEU 18 HD23 LEU 18 11.824 7.353 2.014
Start of MODEL 2
1 H1 LEU 1 HT1 LEU 1 -1.643 5.499 10.550
2 H2 LEU 1 HT2 LEU 1 -1.110 3.896 10.464
3 H3 LEU 1 HT3 LEU 1 -0.670 4.865 11.780
4 HA LEU 1 HA LEU 1 -2.405 3.294 12.372
5 HB2 LEU 1 HB2 LEU 1 -3.204 6.206 12.333
6 HB3 LEU 1 HB1 LEU 1 -4.033 4.980 13.271
7 HG LEU 1 HG LEU 1 -1.096 5.336 13.683
8 HD11 LEU 1 HD11 LEU 1 -1.941 7.614 13.715
9 HD12 LEU 1 HD12 LEU 1 -1.522 7.083 15.344
10 HD13 LEU 1 HD13 LEU 1 -3.213 7.142 14.844
11 HD21 LEU 1 HD21 LEU 1 -3.401 4.673 15.515
12 HD22 LEU 1 HD22 LEU 1 -1.702 4.728 15.980
13 HD23 LEU 1 HD23 LEU 1 -2.260 3.521 14.821
14 H VAL 2 HN VAL 2 -3.373 5.550 9.813
15 HA VAL 2 HA VAL 2 -5.330 3.582 8.890
16 HB VAL 2 HB VAL 2 -6.952 5.481 8.360
17 HG11 VAL 2 HG11 VAL 2 -7.378 3.862 10.110
18 HG12 VAL 2 HG12 VAL 2 -7.938 5.460 10.600
19 HG13 VAL 2 HG13 VAL 2 -6.431 4.816 11.250
20 HG21 VAL 2 HG21 VAL 2 -5.536 7.414 8.668
21 HG22 VAL 2 HG22 VAL 2 -5.222 6.966 10.344
22 HG23 VAL 2 HG23 VAL 2 -6.841 7.466 9.853
23 H PHE 3 HN PHE 3 -6.314 5.564 6.819
24 HA PHE 3 HA PHE 3 -5.902 6.170 4.672
25 HB2 PHE 3 HB2 PHE 3 -3.069 6.572 5.675
26 HB3 PHE 3 HB1 PHE 3 -3.643 7.076 4.091
27 HD1 PHE 3 HD2 PHE 3 -5.354 8.872 3.915
28 HD2 PHE 3 HD1 PHE 3 -3.520 7.843 7.616
29 HE1 PHE 3 HE2 PHE 3 -6.095 11.013 4.874
30 HE2 PHE 3 HE1 PHE 3 -4.259 9.982 8.580
31 HZ PHE 3 HZ PHE 3 -5.548 11.571 7.210
32 H PHE 4 HN PHE 4 -5.478 3.317 5.624
33 HA PHE 4 HA PHE 4 -3.473 2.030 4.164
34 HB2 PHE 4 HB2 PHE 4 -4.915 -0.026 4.421
35 HB3 PHE 4 HB1 PHE 4 -4.542 0.822 5.914
36 HD1 PHE 4 HD2 PHE 4 -6.289 2.095 7.085
37 HD2 PHE 4 HD1 PHE 4 -7.156 -0.202 3.609
38 HE1 PHE 4 HE2 PHE 4 -8.687 2.196 7.622
39 HE2 PHE 4 HE1 PHE 4 -9.557 -0.104 4.138
40 HZ PHE 4 HZ PHE 4 -10.325 1.095 6.147
41 H ALA 5 HN ALA 5 -6.821 2.765 3.235
42 HA ALA 5 HA ALA 5 -7.004 1.390 0.822
43 HB1 ALA 5 HB1 ALA 5 -8.266 4.042 1.501
44 HB2 ALA 5 HB2 ALA 5 -8.900 2.458 1.944
45 HB3 ALA 5 HB3 ALA 5 -8.797 2.923 0.246
46 H GLU 6 HN GLU 6 -5.362 4.377 1.537
47 HA GLU 6 HA GLU 6 -4.775 4.850 -1.298
48 HB2 GLU 6 HB2 GLU 6 -4.462 6.563 1.168
49 HB3 GLU 6 HB1 GLU 6 -3.733 6.995 -0.372
50 HG2 GLU 6 HG2 GLU 6 -5.944 7.047 -1.407
51 HG3 GLU 6 HG1 GLU 6 -6.677 6.606 0.134
52 H ASP 7 HN ASP 7 -3.295 4.114 1.804
53 HA ASP 7 HA ASP 7 -0.578 4.298 0.973
54 HB2 ASP 7 HB2 ASP 7 -1.673 4.282 3.372
55 HB3 ASP 7 HB1 ASP 7 -1.398 2.547 3.251
56 H VAL 8 HN VAL 8 -2.974 1.795 0.627
57 HA VAL 8 HA VAL 8 -1.416 -0.515 0.544
58 HB VAL 8 HB VAL 8 -3.170 -1.369 -1.155
59 HG11 VAL 8 HG11 VAL 8 -4.806 -1.682 0.644
60 HG12 VAL 8 HG12 VAL 8 -3.968 -0.462 1.603
61 HG13 VAL 8 HG13 VAL 8 -3.152 -1.969 1.185
62 HG21 VAL 8 HG21 VAL 8 -4.513 1.204 -0.312
63 HG22 VAL 8 HG22 VAL 8 -5.288 -0.126 -1.172
64 HG23 VAL 8 HG23 VAL 8 -3.993 0.789 -1.946
65 H GLY 9 HN GLY 9 -1.705 1.983 -1.883
66 HA2 GLY 9 HA2 GLY 9 -0.661 0.508 -4.090
67 HA3 GLY 9 HA1 GLY 9 -0.766 2.254 -3.971
68 H SER 10 HN SER 10 0.860 1.754 -1.318
69 HA SER 10 HA SER 10 3.505 1.450 -2.573
70 HB2 SER 10 HB2 SER 10 2.757 3.510 -0.475
71 HB3 SER 10 HB1 SER 10 4.353 3.294 -1.190
72 HG SER 10 HG SER 10 3.674 4.169 -3.029
73 H ASN 11 HN ASN 11 1.917 1.739 0.591
74 HA ASN 11 HA ASN 11 2.711 0.952 2.662
75 HB2 ASN 11 HB2 ASN 11 0.611 -0.126 1.648
76 HB3 ASN 11 HB1 ASN 11 1.608 -1.557 1.426
77 HD21 ASN 11 HD21 ASN 11 0.065 0.541 3.718
78 HD22 ASN 11 HD22 ASN 11 0.239 -0.490 5.093
79 H LYS 12 HN LYS 12 3.000 -2.303 2.098
80 HA LYS 12 HA LYS 12 5.566 -2.551 3.159
81 HB2 LYS 12 HB2 LYS 12 3.536 -4.238 2.897
82 HB3 LYS 12 HB1 LYS 12 4.460 -4.759 1.496
83 HG2 LYS 12 HG2 LYS 12 5.250 -6.188 3.111
84 HG3 LYS 12 HG1 LYS 12 6.435 -4.885 3.210
85 HD2 LYS 12 HD2 LYS 12 5.201 -3.920 5.102
86 HD3 LYS 12 HD1 LYS 12 4.029 -5.233 5.003
87 HE2 LYS 12 HE2 LYS 12 6.971 -5.701 5.425
88 HE3 LYS 12 HE1 LYS 12 5.844 -5.462 6.759
89 HZ1 LYS 12 HZ1 LYS 12 4.589 -7.384 5.992
90 HZ2 LYS 12 HZ2 LYS 12 6.194 -7.806 6.318
91 HZ3 LYS 12 HZ3 LYS 12 5.679 -7.615 4.718
92 H GLY 13 HN GLY 13 4.496 -3.026 -0.214
93 HA2 GLY 13 HA2 GLY 13 6.898 -3.761 -1.394
94 HA3 GLY 13 HA1 GLY 13 5.603 -2.919 -2.222
95 H ALA 14 HN ALA 14 5.813 -0.548 -0.506
96 HA ALA 14 HA ALA 14 8.089 0.704 -1.830
97 HB1 ALA 14 HB1 ALA 14 7.065 2.804 -1.270
98 HB2 ALA 14 HB2 ALA 14 5.903 1.997 -0.215
99 HB3 ALA 14 HB3 ALA 14 5.843 1.734 -1.959
100 H ILE 15 HN ILE 15 6.797 0.154 1.443
101 HA ILE 15 HA ILE 15 8.808 1.608 2.810
102 HB ILE 15 HB ILE 15 6.456 0.710 3.627
103 HG12 ILE 15 HG12 ILE 15 7.537 0.809 6.057
104 HG13 ILE 15 HG11 ILE 15 8.930 1.381 5.144
105 HG21 ILE 15 HG21 ILE 15 7.496 -1.704 3.546
106 HG22 ILE 15 HG22 ILE 15 6.358 -1.244 4.814
107 HG23 ILE 15 HG23 ILE 15 8.089 -1.259 5.145
108 HD11 ILE 15 HD11 ILE 15 6.180 2.608 5.121
109 HD12 ILE 15 HD12 ILE 15 7.575 3.184 4.210
110 HD13 ILE 15 HD13 ILE 15 7.593 3.231 5.972
111 H ILE 16 HN ILE 16 8.692 -1.698 1.614
112 HA ILE 16 HA ILE 16 11.059 -2.495 3.071
113 HB ILE 16 HB ILE 16 9.208 -4.105 2.457
114 HG12 ILE 16 HG12 ILE 16 10.951 -5.905 1.591
115 HG13 ILE 16 HG11 ILE 16 12.104 -4.630 1.966
116 HG21 ILE 16 HG21 ILE 16 9.239 -5.175 0.255
117 HG22 ILE 16 HG22 ILE 16 10.416 -3.986 -0.300
118 HG23 ILE 16 HG23 ILE 16 8.794 -3.471 0.160
119 HD11 ILE 16 HD11 ILE 16 11.287 -4.569 4.266
120 HD12 ILE 16 HD12 ILE 16 11.861 -6.176 3.820
121 HD13 ILE 16 HD13 ILE 16 10.130 -5.845 3.887
122 H GLY 17 HN GLY 17 10.252 -1.519 -0.231
123 HA2 GLY 17 HA2 GLY 17 12.858 -1.860 -1.339
124 HA3 GLY 17 HA1 GLY 17 11.538 -0.945 -2.049
125 H LEU 18 HN LEU 18 11.132 0.935 0.004
126 HA LEU 18 HA LEU 18 13.557 2.565 -0.294
127 HB2 LEU 18 HB2 LEU 18 10.682 3.339 0.215
128 HB3 LEU 18 HB1 LEU 18 12.012 4.479 0.264
129 HG LEU 18 HG LEU 18 12.450 3.558 -2.182
130 HD11 LEU 18 HD11 LEU 18 10.356 3.086 -3.351
131 HD12 LEU 18 HD12 LEU 18 9.489 3.115 -1.815
132 HD13 LEU 18 HD13 LEU 18 10.696 1.867 -2.122
133 HD21 LEU 18 HD21 LEU 18 12.015 5.878 -1.617
134 HD22 LEU 18 HD22 LEU 18 10.291 5.539 -1.473
135 HD23 LEU 18 HD23 LEU 18 11.087 5.407 -3.041
Start of MODEL 3
1 H1 LEU 1 HT1 LEU 1 -10.180 1.176 -0.005
2 H2 LEU 1 HT2 LEU 1 -10.329 2.682 -0.761
3 H3 LEU 1 HT3 LEU 1 -11.461 1.464 -1.074
4 HA LEU 1 HA LEU 1 -12.384 3.109 0.407
5 HB2 LEU 1 HB2 LEU 1 -12.389 0.356 0.741
6 HB3 LEU 1 HB1 LEU 1 -12.008 0.942 2.343
7 HG LEU 1 HG LEU 1 -14.373 0.537 2.186
8 HD11 LEU 1 HD11 LEU 1 -15.303 2.688 2.812
9 HD12 LEU 1 HD12 LEU 1 -13.891 3.508 2.147
10 HD13 LEU 1 HD13 LEU 1 -13.717 2.447 3.545
11 HD21 LEU 1 HD21 LEU 1 -14.547 0.763 -0.282
12 HD22 LEU 1 HD22 LEU 1 -14.530 2.514 -0.081
13 HD23 LEU 1 HD23 LEU 1 -15.844 1.562 0.608
14 H VAL 2 HN VAL 2 -12.304 4.311 2.292
15 HA VAL 2 HA VAL 2 -11.390 5.601 3.905
16 HB VAL 2 HB VAL 2 -9.473 3.400 4.680
17 HG11 VAL 2 HG11 VAL 2 -9.289 5.468 5.923
18 HG12 VAL 2 HG12 VAL 2 -9.959 4.209 6.958
19 HG13 VAL 2 HG13 VAL 2 -11.017 5.444 6.275
20 HG21 VAL 2 HG21 VAL 2 -12.434 3.472 5.262
21 HG22 VAL 2 HG22 VAL 2 -11.277 2.439 6.098
22 HG23 VAL 2 HG23 VAL 2 -11.555 2.231 4.370
23 H PHE 3 HN PHE 3 -8.298 3.901 3.471
24 HA PHE 3 HA PHE 3 -7.192 5.833 1.668
25 HB2 PHE 3 HB2 PHE 3 -5.358 6.579 3.284
26 HB3 PHE 3 HB1 PHE 3 -6.940 7.307 3.499
27 HD1 PHE 3 HD1 PHE 3 -4.756 4.585 4.823
28 HD2 PHE 3 HD2 PHE 3 -7.937 7.310 5.593
29 HE1 PHE 3 HE1 PHE 3 -4.714 3.958 7.201
30 HE2 PHE 3 HE2 PHE 3 -7.901 6.682 7.971
31 HZ PHE 3 HZ PHE 3 -6.288 5.006 8.778
32 H PHE 4 HN PHE 4 -6.866 3.053 3.718
33 HA PHE 4 HA PHE 4 -4.222 2.290 3.194
34 HB2 PHE 4 HB2 PHE 4 -5.945 1.353 4.895
35 HB3 PHE 4 HB1 PHE 4 -6.423 0.281 3.585
36 HD1 PHE 4 HD1 PHE 4 -4.941 -1.469 2.804
37 HD2 PHE 4 HD2 PHE 4 -3.799 1.122 5.981
38 HE1 PHE 4 HE1 PHE 4 -3.114 -3.006 3.396
39 HE2 PHE 4 HE2 PHE 4 -1.969 -0.411 6.579
40 HZ PHE 4 HZ PHE 4 -1.624 -2.478 5.285
41 H ALA 5 HN ALA 5 -7.226 1.365 1.495
42 HA ALA 5 HA ALA 5 -6.114 -0.404 -0.374
43 HB1 ALA 5 HB1 ALA 5 -8.546 1.336 -0.741
44 HB2 ALA 5 HB2 ALA 5 -8.519 -0.211 0.105
45 HB3 ALA 5 HB3 ALA 5 -8.165 -0.144 -1.622
46 H GLU 6 HN GLU 6 -6.188 3.078 -0.334
47 HA GLU 6 HA GLU 6 -5.316 3.284 -3.111
48 HB2 GLU 6 HB2 GLU 6 -6.036 5.345 -1.028
49 HB3 GLU 6 HB1 GLU 6 -5.336 5.779 -2.580
50 HG2 GLU 6 HG2 GLU 6 -7.231 4.741 -3.725
51 HG3 GLU 6 HG1 GLU 6 -7.936 4.319 -2.164
52 H ASP 7 HN ASP 7 -4.125 3.952 0.165
53 HA ASP 7 HA ASP 7 -1.576 4.933 -0.636
54 HB2 ASP 7 HB2 ASP 7 -2.721 4.008 1.981
55 HB3 ASP 7 HB1 ASP 7 -1.014 4.418 1.834
56 H VAL 8 HN VAL 8 -2.819 1.715 -0.031
57 HA VAL 8 HA VAL 8 -0.434 0.340 0.497
58 HB VAL 8 HB VAL 8 -2.729 -0.573 0.831
59 HG11 VAL 8 HG11 VAL 8 -3.873 -1.726 -1.005
60 HG12 VAL 8 HG12 VAL 8 -2.694 -1.073 -2.141
61 HG13 VAL 8 HG13 VAL 8 -3.774 0.015 -1.269
62 HG21 VAL 8 HG21 VAL 8 -2.181 -2.914 0.206
63 HG22 VAL 8 HG22 VAL 8 -0.879 -2.073 1.045
64 HG23 VAL 8 HG23 VAL 8 -0.797 -2.304 -0.701
65 H GLY 9 HN GLY 9 -1.610 1.612 -2.504
66 HA2 GLY 9 HA2 GLY 9 -0.168 -0.070 -4.296
67 HA3 GLY 9 HA1 GLY 9 -0.865 1.493 -4.678
68 H SER 10 HN SER 10 0.849 2.566 -2.316
69 HA SER 10 HA SER 10 3.462 2.547 -3.661
70 HB2 SER 10 HB2 SER 10 2.011 5.024 -2.699
71 HB3 SER 10 HB1 SER 10 3.666 4.989 -3.305
72 HG SER 10 HG SER 10 2.316 5.554 -4.987
73 H ASN 11 HN ASN 11 1.687 3.441 -0.695
74 HA ASN 11 HA ASN 11 3.879 3.903 0.982
75 HB2 ASN 11 HB2 ASN 11 1.316 4.293 1.352
76 HB3 ASN 11 HB1 ASN 11 1.356 2.679 2.053
77 HD21 ASN 11 HD21 ASN 11 2.485 2.331 3.964
78 HD22 ASN 11 HD22 ASN 11 2.975 3.631 4.992
79 H LYS 12 HN LYS 12 2.047 0.876 0.473
80 HA LYS 12 HA LYS 12 3.564 -0.708 2.257
81 HB2 LYS 12 HB2 LYS 12 1.251 -1.140 1.042
82 HB3 LYS 12 HB1 LYS 12 2.271 -1.925 -0.153
83 HG2 LYS 12 HG2 LYS 12 1.706 -3.696 1.197
84 HG3 LYS 12 HG1 LYS 12 3.235 -3.193 1.918
85 HD2 LYS 12 HD2 LYS 12 2.000 -1.909 3.613
86 HD3 LYS 12 HD1 LYS 12 0.478 -2.434 2.894
87 HE2 LYS 12 HE2 LYS 12 0.844 -3.851 4.746
88 HE3 LYS 12 HE1 LYS 12 1.243 -4.805 3.319
89 HZ1 LYS 12 HZ1 LYS 12 3.206 -3.428 5.074
90 HZ2 LYS 12 HZ2 LYS 12 3.582 -4.366 3.718
91 HZ3 LYS 12 HZ3 LYS 12 2.881 -5.089 5.076
92 H GLY 13 HN GLY 13 3.697 -0.339 -1.286
93 HA2 GLY 13 HA2 GLY 13 5.883 -2.011 -1.819
94 HA3 GLY 13 HA1 GLY 13 5.360 -0.673 -2.829
95 H ALA 14 HN ALA 14 5.763 1.379 -0.836
96 HA ALA 14 HA ALA 14 8.596 1.801 -1.159
97 HB1 ALA 14 HB1 ALA 14 8.192 3.971 -0.123
98 HB2 ALA 14 HB2 ALA 14 6.553 3.477 0.298
99 HB3 ALA 14 HB3 ALA 14 7.012 3.653 -1.396
100 H ILE 15 HN ILE 15 6.377 1.117 1.531
101 HA ILE 15 HA ILE 15 8.314 1.344 3.596
102 HB ILE 15 HB ILE 15 5.677 1.343 3.674
103 HG12 ILE 15 HG12 ILE 15 7.142 1.972 5.537
104 HG13 ILE 15 HG11 ILE 15 5.740 1.079 6.093
105 HG21 ILE 15 HG21 ILE 15 6.058 -1.450 4.678
106 HG22 ILE 15 HG22 ILE 15 5.609 -1.119 3.008
107 HG23 ILE 15 HG23 ILE 15 4.561 -0.586 4.325
108 HD11 ILE 15 HD11 ILE 15 7.137 -0.915 6.389
109 HD12 ILE 15 HD12 ILE 15 7.734 0.453 7.327
110 HD13 ILE 15 HD13 ILE 15 8.542 -0.008 5.829
111 H ILE 16 HN ILE 16 7.261 -1.383 1.574
112 HA ILE 16 HA ILE 16 8.730 -3.340 3.082
113 HB ILE 16 HB ILE 16 8.380 -4.875 1.146
114 HG12 ILE 16 HG12 ILE 16 6.396 -3.780 -0.379
115 HG13 ILE 16 HG11 ILE 16 7.450 -2.389 -0.150
116 HG21 ILE 16 HG21 ILE 16 5.921 -3.494 2.199
117 HG22 ILE 16 HG22 ILE 16 6.803 -4.813 2.970
118 HG23 ILE 16 HG23 ILE 16 5.958 -5.090 1.446
119 HD11 ILE 16 HD11 ILE 16 8.264 -5.056 -1.280
120 HD12 ILE 16 HD12 ILE 16 9.326 -3.667 -1.047
121 HD13 ILE 16 HD13 ILE 16 7.990 -3.573 -2.194
122 H GLY 17 HN GLY 17 9.329 -1.540 0.095
123 HA2 GLY 17 HA2 GLY 17 11.885 -2.675 -0.462
124 HA3 GLY 17 HA1 GLY 17 11.217 -1.217 -1.174
125 H LEU 18 HN LEU 18 10.855 0.319 1.152
126 HA LEU 18 HA LEU 18 13.583 0.603 2.217
127 HB2 LEU 18 HB2 LEU 18 12.893 2.234 0.315
128 HB3 LEU 18 HB1 LEU 18 11.897 2.997 1.537
129 HG LEU 18 HG LEU 18 14.167 3.076 2.887
130 HD11 LEU 18 HD11 LEU 18 15.474 1.808 1.270
131 HD12 LEU 18 HD12 LEU 18 16.088 3.454 1.421
132 HD13 LEU 18 HD13 LEU 18 15.112 3.002 0.023
133 HD21 LEU 18 HD21 LEU 18 12.855 5.015 2.239
134 HD22 LEU 18 HD22 LEU 18 13.508 4.930 0.602
135 HD23 LEU 18 HD23 LEU 18 14.572 5.308 1.958
Start of MODEL 4
1 H1 LEU 1 HT1 LEU 1 -13.366 4.205 -0.688
2 H2 LEU 1 HT2 LEU 1 -14.206 5.393 -1.551
3 H3 LEU 1 HT3 LEU 1 -12.738 4.798 -2.142
4 HA LEU 1 HA LEU 1 -15.215 3.213 -1.814
5 HB2 LEU 1 HB2 LEU 1 -15.076 5.062 -3.632
6 HB3 LEU 1 HB1 LEU 1 -13.951 3.983 -4.430
7 HG LEU 1 HG LEU 1 -15.925 2.242 -4.136
8 HD11 LEU 1 HD11 LEU 1 -17.371 4.888 -4.181
9 HD12 LEU 1 HD12 LEU 1 -17.370 3.728 -2.853
10 HD13 LEU 1 HD13 LEU 1 -18.111 3.301 -4.395
11 HD21 LEU 1 HD21 LEU 1 -15.856 4.414 -6.226
12 HD22 LEU 1 HD22 LEU 1 -16.731 2.890 -6.372
13 HD23 LEU 1 HD23 LEU 1 -14.970 2.889 -6.261
14 H VAL 2 HN VAL 2 -11.871 3.379 -2.992
15 HA VAL 2 HA VAL 2 -11.825 0.469 -3.293
16 HB VAL 2 HB VAL 2 -9.510 0.884 -4.307
17 HG11 VAL 2 HG11 VAL 2 -11.432 0.360 -5.667
18 HG12 VAL 2 HG12 VAL 2 -10.443 1.577 -6.473
19 HG13 VAL 2 HG13 VAL 2 -11.935 2.051 -5.661
20 HG21 VAL 2 HG21 VAL 2 -9.094 3.132 -3.439
21 HG22 VAL 2 HG22 VAL 2 -10.474 3.750 -4.347
22 HG23 VAL 2 HG23 VAL 2 -9.064 3.127 -5.202
23 H PHE 3 HN PHE 3 -8.941 0.157 -2.862
24 HA PHE 3 HA PHE 3 -8.840 0.505 0.062
25 HB2 PHE 3 HB2 PHE 3 -7.429 -1.569 0.099
26 HB3 PHE 3 HB1 PHE 3 -9.083 -1.835 -0.426
27 HD1 PHE 3 HD1 PHE 3 -9.520 -2.105 -2.919
28 HD2 PHE 3 HD2 PHE 3 -5.620 -2.229 -1.221
29 HE1 PHE 3 HE1 PHE 3 -8.687 -3.256 -4.927
30 HE2 PHE 3 HE2 PHE 3 -4.778 -3.375 -3.228
31 HZ PHE 3 HZ PHE 3 -6.313 -3.891 -5.085
32 H PHE 4 HN PHE 4 -7.821 2.245 -2.197
33 HA PHE 4 HA PHE 4 -5.022 2.157 -2.392
34 HB2 PHE 4 HB2 PHE 4 -6.792 3.512 -3.741
35 HB3 PHE 4 HB1 PHE 4 -6.561 4.736 -2.499
36 HD1 PHE 4 HD1 PHE 4 -5.005 2.956 -5.298
37 HD2 PHE 4 HD2 PHE 4 -4.525 6.004 -2.367
38 HE1 PHE 4 HE1 PHE 4 -3.041 3.807 -6.511
39 HE2 PHE 4 HE2 PHE 4 -2.560 6.860 -3.575
40 HZ PHE 4 HZ PHE 4 -1.816 5.763 -5.650
41 H ALA 5 HN ALA 5 -7.135 3.805 -0.070
42 HA ALA 5 HA ALA 5 -5.247 5.377 1.275
43 HB1 ALA 5 HB1 ALA 5 -6.856 5.472 3.097
44 HB2 ALA 5 HB2 ALA 5 -7.729 4.099 2.415
45 HB3 ALA 5 HB3 ALA 5 -7.670 5.629 1.541
46 H GLU 6 HN GLU 6 -6.020 1.985 1.574
47 HA GLU 6 HA GLU 6 -4.255 1.646 3.881
48 HB2 GLU 6 HB2 GLU 6 -6.183 -0.189 2.464
49 HB3 GLU 6 HB1 GLU 6 -5.031 -0.791 3.647
50 HG2 GLU 6 HG2 GLU 6 -6.001 0.691 5.337
51 HG3 GLU 6 HG1 GLU 6 -7.165 1.274 4.149
52 H ASP 7 HN ASP 7 -4.508 0.881 0.462
53 HA ASP 7 HA ASP 7 -2.251 -0.843 0.292
54 HB2 ASP 7 HB2 ASP 7 -4.265 -0.416 -1.363
55 HB3 ASP 7 HB1 ASP 7 -3.161 0.763 -2.056
56 H VAL 8 HN VAL 8 -2.651 2.614 0.254
57 HA VAL 8 HA VAL 8 -1.306 4.396 -0.004
58 HB VAL 8 HB VAL 8 -0.424 3.235 2.092
59 HG11 VAL 8 HG11 VAL 8 0.878 1.447 1.103
60 HG12 VAL 8 HG12 VAL 8 1.885 2.472 2.125
61 HG13 VAL 8 HG13 VAL 8 1.967 2.625 0.370
62 HG21 VAL 8 HG21 VAL 8 1.231 5.251 0.606
63 HG22 VAL 8 HG22 VAL 8 1.522 4.813 2.288
64 HG23 VAL 8 HG23 VAL 8 -0.017 5.534 1.818
65 H GLY 9 HN GLY 9 1.715 4.226 -0.586
66 HA2 GLY 9 HA2 GLY 9 1.595 4.584 -3.365
67 HA3 GLY 9 HA1 GLY 9 3.066 4.341 -2.438
68 H SER 10 HN SER 10 3.053 1.845 -1.590
69 HA SER 10 HA SER 10 2.203 -0.011 -3.646
70 HB2 SER 10 HB2 SER 10 5.160 0.374 -3.076
71 HB3 SER 10 HB1 SER 10 4.469 -0.889 -4.093
72 HG SER 10 HG SER 10 3.568 1.527 -4.862
73 H ASN 11 HN ASN 11 1.333 0.137 -1.056
74 HA ASN 11 HA ASN 11 1.448 -0.794 1.089
75 HB2 ASN 11 HB2 ASN 11 0.632 -3.217 0.814
76 HB3 ASN 11 HB1 ASN 11 -0.330 -1.932 0.105
77 HD21 ASN 11 HD21 ASN 11 1.466 -4.781 -0.467
78 HD22 ASN 11 HD22 ASN 11 1.228 -4.862 -2.177
79 H LYS 12 HN LYS 12 2.490 -3.898 -0.089
80 HA LYS 12 HA LYS 12 4.402 -4.286 1.925
81 HB2 LYS 12 HB2 LYS 12 3.106 -5.967 0.350
82 HB3 LYS 12 HB1 LYS 12 4.547 -5.826 -0.641
83 HG2 LYS 12 HG2 LYS 12 4.827 -6.488 2.261
84 HG3 LYS 12 HG1 LYS 12 4.332 -7.740 1.124
85 HD2 LYS 12 HD2 LYS 12 6.698 -6.101 0.390
86 HD3 LYS 12 HD1 LYS 12 6.897 -7.258 1.705
87 HE2 LYS 12 HE2 LYS 12 5.754 -8.000 -0.982
88 HE3 LYS 12 HE1 LYS 12 7.474 -8.095 -0.611
89 HZ1 LYS 12 HZ1 LYS 12 6.394 -10.228 -0.300
90 HZ2 LYS 12 HZ2 LYS 12 5.309 -9.554 0.809
91 HZ3 LYS 12 HZ3 LYS 12 6.956 -9.638 1.184
92 H GLY 13 HN GLY 13 4.868 -3.729 -1.570
93 HA2 GLY 13 HA2 GLY 13 7.662 -3.542 -1.614
94 HA3 GLY 13 HA1 GLY 13 6.579 -2.821 -2.792
95 H ALA 14 HN ALA 14 5.241 -1.182 -0.708
96 HA ALA 14 HA ALA 14 7.055 1.060 -0.737
97 HB1 ALA 14 HB1 ALA 14 4.745 1.526 -1.154
98 HB2 ALA 14 HB2 ALA 14 5.178 2.262 0.388
99 HB3 ALA 14 HB3 ALA 14 4.263 0.755 0.357
100 H ILE 15 HN ILE 15 5.481 -0.930 1.800
101 HA ILE 15 HA ILE 15 6.742 0.375 3.984
102 HB ILE 15 HB ILE 15 6.060 -1.572 5.374
103 HG12 ILE 15 HG12 ILE 15 4.259 -2.981 3.850
104 HG13 ILE 15 HG11 ILE 15 5.605 -2.770 2.734
105 HG21 ILE 15 HG21 ILE 15 3.647 -1.191 5.167
106 HG22 ILE 15 HG22 ILE 15 3.916 -0.400 3.614
107 HG23 ILE 15 HG23 ILE 15 4.572 0.309 5.088
108 HD11 ILE 15 HD11 ILE 15 7.115 -3.777 4.358
109 HD12 ILE 15 HD12 ILE 15 5.787 -4.862 3.945
110 HD13 ILE 15 HD13 ILE 15 5.770 -3.989 5.478
111 H ILE 16 HN ILE 16 7.617 -2.573 2.167
112 HA ILE 16 HA ILE 16 9.943 -3.010 3.834
113 HB ILE 16 HB ILE 16 8.633 -4.890 2.740
114 HG12 ILE 16 HG12 ILE 16 10.883 -6.071 1.972
115 HG13 ILE 16 HG11 ILE 16 11.607 -4.637 2.693
116 HG21 ILE 16 HG21 ILE 16 8.378 -4.039 0.503
117 HG22 ILE 16 HG22 ILE 16 9.268 -5.560 0.459
118 HG23 ILE 16 HG23 ILE 16 10.125 -4.030 0.268
119 HD11 ILE 16 HD11 ILE 16 10.496 -5.142 4.807
120 HD12 ILE 16 HD12 ILE 16 11.519 -6.476 4.274
121 HD13 ILE 16 HD13 ILE 16 9.768 -6.576 4.082
122 H GLY 17 HN GLY 17 9.228 -1.584 0.709
123 HA2 GLY 17 HA2 GLY 17 11.914 -1.211 -0.167
124 HA3 GLY 17 HA1 GLY 17 10.492 -0.407 -0.808
125 H LEU 18 HN LEU 18 9.646 0.824 1.644
126 HA LEU 18 HA LEU 18 11.860 2.679 2.203
127 HB2 LEU 18 HB2 LEU 18 10.017 3.474 0.533
128 HB3 LEU 18 HB1 LEU 18 9.031 3.657 1.969
129 HG LEU 18 HG LEU 18 11.708 4.972 1.955
130 HD11 LEU 18 HD11 LEU 18 10.781 6.932 0.811
131 HD12 LEU 18 HD12 LEU 18 9.312 6.023 0.455
132 HD13 LEU 18 HD13 LEU 18 10.851 5.524 -0.249
133 HD21 LEU 18 HD21 LEU 18 8.987 5.779 2.985
134 HD22 LEU 18 HD22 LEU 18 10.489 6.671 3.228
135 HD23 LEU 18 HD23 LEU 18 10.288 5.070 3.941
Start of MODEL 5
1 H1 LEU 1 HT1 LEU 1 -4.802 9.036 8.872
2 H2 LEU 1 HT2 LEU 1 -5.667 9.637 10.194
3 H3 LEU 1 HT3 LEU 1 -6.133 8.180 9.473
4 HA LEU 1 HA LEU 1 -3.574 8.657 10.883
5 HB2 LEU 1 HB2 LEU 1 -6.075 7.190 11.723
6 HB3 LEU 1 HB1 LEU 1 -4.536 7.034 12.547
7 HG LEU 1 HG LEU 1 -5.714 9.762 12.221
8 HD11 LEU 1 HD11 LEU 1 -6.973 9.476 14.300
9 HD12 LEU 1 HD12 LEU 1 -6.569 7.759 14.306
10 HD13 LEU 1 HD13 LEU 1 -7.581 8.423 13.022
11 HD21 LEU 1 HD21 LEU 1 -4.607 10.117 14.377
12 HD22 LEU 1 HD22 LEU 1 -3.475 9.521 13.163
13 HD23 LEU 1 HD23 LEU 1 -4.101 8.427 14.396
14 H VAL 2 HN VAL 2 -5.707 6.397 9.191
15 HA VAL 2 HA VAL 2 -3.595 4.380 9.137
16 HB VAL 2 HB VAL 2 -5.383 2.975 7.939
17 HG11 VAL 2 HG11 VAL 2 -4.682 2.579 10.222
18 HG12 VAL 2 HG12 VAL 2 -6.423 2.347 10.069
19 HG13 VAL 2 HG13 VAL 2 -5.790 3.821 10.802
20 HG21 VAL 2 HG21 VAL 2 -7.715 3.572 8.379
21 HG22 VAL 2 HG22 VAL 2 -6.938 4.793 7.369
22 HG23 VAL 2 HG23 VAL 2 -7.202 5.105 9.084
23 H PHE 3 HN PHE 3 -5.697 6.098 6.813
24 HA PHE 3 HA PHE 3 -5.511 6.595 4.597
25 HB2 PHE 3 HB2 PHE 3 -2.593 6.690 5.383
26 HB3 PHE 3 HB1 PHE 3 -3.182 7.193 3.803
27 HD1 PHE 3 HD2 PHE 3 -4.508 9.212 3.554
28 HD2 PHE 3 HD1 PHE 3 -3.022 8.006 7.356
29 HE1 PHE 3 HE2 PHE 3 -4.986 11.454 4.448
30 HE2 PHE 3 HE1 PHE 3 -3.498 10.246 8.257
31 HZ PHE 3 HZ PHE 3 -4.480 11.974 6.802
32 H PHE 4 HN PHE 4 -5.570 3.720 5.282
33 HA PHE 4 HA PHE 4 -3.803 2.162 3.802
34 HB2 PHE 4 HB2 PHE 4 -5.522 0.391 3.893
35 HB3 PHE 4 HB1 PHE 4 -5.279 1.172 5.447
36 HD1 PHE 4 HD2 PHE 4 -7.005 2.713 6.332
37 HD2 PHE 4 HD1 PHE 4 -7.617 0.460 2.777
38 HE1 PHE 4 HE2 PHE 4 -9.424 3.122 6.497
39 HE2 PHE 4 HE1 PHE 4 -10.039 0.863 2.933
40 HZ PHE 4 HZ PHE 4 -10.946 2.195 4.796
41 H ALA 5 HN ALA 5 -6.905 3.558 2.757
42 HA ALA 5 HA ALA 5 -7.145 2.412 0.234
43 HB1 ALA 5 HB1 ALA 5 -8.008 5.180 1.057
44 HB2 ALA 5 HB2 ALA 5 -8.914 3.693 1.340
45 HB3 ALA 5 HB3 ALA 5 -8.629 4.253 -0.308
46 H GLU 6 HN GLU 6 -5.094 5.036 1.263
47 HA GLU 6 HA GLU 6 -4.297 5.632 -1.492
48 HB2 GLU 6 HB2 GLU 6 -4.833 7.385 0.419
49 HB3 GLU 6 HB1 GLU 6 -3.171 7.063 0.887
50 HG2 GLU 6 HG2 GLU 6 -2.972 8.916 -0.477
51 HG3 GLU 6 HG1 GLU 6 -2.607 7.587 -1.575
52 H ASP 7 HN ASP 7 -3.037 4.473 1.600
53 HA ASP 7 HA ASP 7 -0.327 4.207 0.780
54 HB2 ASP 7 HB2 ASP 7 -1.908 3.232 3.127
55 HB3 ASP 7 HB1 ASP 7 -0.268 2.651 2.863
56 H VAL 8 HN VAL 8 -3.099 2.170 0.279
57 HA VAL 8 HA VAL 8 -1.959 -0.369 0.154
58 HB VAL 8 HB VAL 8 -3.732 -0.839 -1.677
59 HG11 VAL 8 HG11 VAL 8 -4.515 0.049 1.091
60 HG12 VAL 8 HG12 VAL 8 -3.944 -1.551 0.619
61 HG13 VAL 8 HG13 VAL 8 -5.494 -0.957 0.025
62 HG21 VAL 8 HG21 VAL 8 -5.614 0.741 -1.715
63 HG22 VAL 8 HG22 VAL 8 -4.148 1.458 -2.383
64 HG23 VAL 8 HG23 VAL 8 -4.672 1.882 -0.754
65 H GLY 9 HN GLY 9 -1.758 2.213 -2.206
66 HA2 GLY 9 HA2 GLY 9 -0.811 0.652 -4.397
67 HA3 GLY 9 HA1 GLY 9 -0.688 2.395 -4.237
68 H SER 10 HN SER 10 0.743 1.740 -1.544
69 HA SER 10 HA SER 10 3.383 1.171 -2.720
70 HB2 SER 10 HB2 SER 10 2.689 3.100 -0.486
71 HB3 SER 10 HB1 SER 10 4.328 2.728 -1.011
72 HG SER 10 HG SER 10 4.039 4.243 -2.425
73 H ASN 11 HN ASN 11 1.675 1.253 0.410
74 HA ASN 11 HA ASN 11 1.885 0.065 2.336
75 HB2 ASN 11 HB2 ASN 11 1.112 -1.661 0.159
76 HB3 ASN 11 HB1 ASN 11 1.943 -2.585 1.407
77 HD21 ASN 11 HD21 ASN 11 1.051 -2.724 3.461
78 HD22 ASN 11 HD22 ASN 11 -0.598 -2.318 3.775
79 H LYS 12 HN LYS 12 2.945 -2.382 3.050
80 HA LYS 12 HA LYS 12 5.509 -1.810 3.880
81 HB2 LYS 12 HB2 LYS 12 4.147 -4.467 3.448
82 HB3 LYS 12 HB1 LYS 12 5.741 -4.334 4.175
83 HG2 LYS 12 HG2 LYS 12 3.484 -2.760 5.329
84 HG3 LYS 12 HG1 LYS 12 3.603 -4.486 5.671
85 HD2 LYS 12 HD2 LYS 12 5.867 -4.157 6.547
86 HD3 LYS 12 HD1 LYS 12 5.759 -2.433 6.188
87 HE2 LYS 12 HE2 LYS 12 5.291 -2.641 8.491
88 HE3 LYS 12 HE1 LYS 12 3.734 -2.380 7.707
89 HZ1 LYS 12 HZ1 LYS 12 3.315 -4.756 7.823
90 HZ2 LYS 12 HZ2 LYS 12 3.613 -4.133 9.366
91 HZ3 LYS 12 HZ3 LYS 12 4.815 -5.012 8.565
92 H GLY 13 HN GLY 13 4.473 -3.493 0.951
93 HA2 GLY 13 HA2 GLY 13 6.875 -4.488 -0.021
94 HA3 GLY 13 HA1 GLY 13 5.525 -3.986 -1.023
95 H ALA 14 HN ALA 14 5.464 -1.248 -0.618
96 HA ALA 14 HA ALA 14 7.878 -0.434 -2.027
97 HB1 ALA 14 HB1 ALA 14 6.616 1.812 -2.084
98 HB2 ALA 14 HB2 ALA 14 5.246 0.868 -1.496
99 HB3 ALA 14 HB3 ALA 14 5.995 0.465 -3.039
100 H ILE 15 HN ILE 15 6.260 0.180 1.084
101 HA ILE 15 HA ILE 15 7.972 2.259 1.957
102 HB ILE 15 HB ILE 15 6.329 0.323 3.615
103 HG12 ILE 15 HG12 ILE 15 5.705 3.228 3.152
104 HG13 ILE 15 HG11 ILE 15 5.277 2.040 1.929
105 HG21 ILE 15 HG21 ILE 15 7.672 2.891 4.487
106 HG22 ILE 15 HG22 ILE 15 8.121 1.262 4.992
107 HG23 ILE 15 HG23 ILE 15 6.560 1.931 5.464
108 HD11 ILE 15 HD11 ILE 15 3.901 0.855 3.571
109 HD12 ILE 15 HD12 ILE 15 3.391 2.532 3.374
110 HD13 ILE 15 HD13 ILE 15 4.330 2.056 4.789
111 H ILE 16 HN ILE 16 8.411 -1.239 1.922
112 HA ILE 16 HA ILE 16 10.667 -1.157 3.727
113 HB ILE 16 HB ILE 16 9.149 -3.171 3.486
114 HG12 ILE 16 HG12 ILE 16 11.226 -4.814 3.403
115 HG13 ILE 16 HG11 ILE 16 12.130 -3.305 3.452
116 HG21 ILE 16 HG21 ILE 16 9.647 -4.828 1.748
117 HG22 ILE 16 HG22 ILE 16 10.708 -3.663 0.956
118 HG23 ILE 16 HG23 ILE 16 8.980 -3.338 1.079
119 HD11 ILE 16 HD11 ILE 16 11.007 -2.698 5.531
120 HD12 ILE 16 HD12 ILE 16 11.843 -4.245 5.674
121 HD13 ILE 16 HD13 ILE 16 10.090 -4.203 5.476
122 H GLY 17 HN GLY 17 10.182 -1.397 0.226
123 HA2 GLY 17 HA2 GLY 17 12.941 -1.573 -0.482
124 HA3 GLY 17 HA1 GLY 17 11.613 -1.187 -1.564
125 H LEU 18 HN LEU 18 10.634 1.124 -0.366
126 HA LEU 18 HA LEU 18 12.907 2.990 -0.467
127 HB2 LEU 18 HB2 LEU 18 11.430 2.789 -2.601
128 HB3 LEU 18 HB1 LEU 18 10.241 3.677 -1.671
129 HG LEU 18 HG LEU 18 12.247 5.366 -1.329
130 HD11 LEU 18 HD11 LEU 18 13.923 3.997 -2.448
131 HD12 LEU 18 HD12 LEU 18 13.664 5.511 -3.316
132 HD13 LEU 18 HD13 LEU 18 12.962 4.013 -3.928
133 HD21 LEU 18 HD21 LEU 18 11.464 6.598 -3.299
134 HD22 LEU 18 HD22 LEU 18 10.125 5.911 -2.378
135 HD23 LEU 18 HD23 LEU 18 10.651 5.144 -3.877
Start of MODEL 6
1 H1 LEU 1 HT1 LEU 1 -1.307 7.301 -10.259
2 H2 LEU 1 HT2 LEU 1 -0.498 7.278 -8.773
3 H3 LEU 1 HT3 LEU 1 -0.973 8.751 -9.454
4 HA LEU 1 HA LEU 1 -3.287 8.174 -9.212
5 HB2 LEU 1 HB2 LEU 1 -2.178 5.673 -7.928
6 HB3 LEU 1 HB1 LEU 1 -3.859 6.160 -7.852
7 HG LEU 1 HG LEU 1 -2.583 5.799 -10.533
8 HD11 LEU 1 HD11 LEU 1 -3.193 3.428 -10.502
9 HD12 LEU 1 HD12 LEU 1 -3.614 3.563 -8.795
10 HD13 LEU 1 HD13 LEU 1 -1.945 3.797 -9.312
11 HD21 LEU 1 HD21 LEU 1 -5.364 5.308 -9.464
12 HD22 LEU 1 HD22 LEU 1 -4.853 5.115 -11.141
13 HD23 LEU 1 HD23 LEU 1 -4.843 6.713 -10.395
14 H VAL 2 HN VAL 2 -0.649 7.563 -6.925
15 HA VAL 2 HA VAL 2 -0.185 8.247 -4.815
16 HB VAL 2 HB VAL 2 -1.848 10.735 -5.089
17 HG11 VAL 2 HG11 VAL 2 0.062 11.784 -4.031
18 HG12 VAL 2 HG12 VAL 2 0.997 10.297 -4.177
19 HG13 VAL 2 HG13 VAL 2 -0.410 10.353 -3.115
20 HG21 VAL 2 HG21 VAL 2 0.682 10.257 -6.673
21 HG22 VAL 2 HG22 VAL 2 -0.140 11.807 -6.492
22 HG23 VAL 2 HG23 VAL 2 -0.936 10.481 -7.340
23 H PHE 3 HN PHE 3 -2.100 10.061 -3.230
24 HA PHE 3 HA PHE 3 -3.617 9.882 -1.615
25 HB2 PHE 3 HB2 PHE 3 -5.014 8.153 -3.656
26 HB3 PHE 3 HB1 PHE 3 -5.757 8.601 -2.124
27 HD1 PHE 3 HD2 PHE 3 -6.467 10.876 -1.704
28 HD2 PHE 3 HD1 PHE 3 -4.671 9.785 -5.406
29 HE1 PHE 3 HE2 PHE 3 -7.245 12.987 -2.699
30 HE2 PHE 3 HE1 PHE 3 -5.445 11.895 -6.407
31 HZ PHE 3 HZ PHE 3 -6.735 13.498 -5.054
32 H PHE 4 HN PHE 4 -4.801 8.256 0.051
33 HA PHE 4 HA PHE 4 -2.787 6.414 0.888
34 HB2 PHE 4 HB2 PHE 4 -4.442 7.841 2.315
35 HB3 PHE 4 HB1 PHE 4 -5.552 6.499 2.062
36 HD1 PHE 4 HD1 PHE 4 -5.144 4.338 3.076
37 HD2 PHE 4 HD2 PHE 4 -2.473 7.593 3.692
38 HE1 PHE 4 HE1 PHE 4 -4.113 3.131 4.957
39 HE2 PHE 4 HE2 PHE 4 -1.438 6.393 5.574
40 HZ PHE 4 HZ PHE 4 -2.257 4.159 6.208
41 H ALA 5 HN ALA 5 -6.239 5.892 0.089
42 HA ALA 5 HA ALA 5 -6.228 3.110 0.078
43 HB1 ALA 5 HB1 ALA 5 -7.984 4.927 -1.561
44 HB2 ALA 5 HB2 ALA 5 -8.252 4.485 0.126
45 HB3 ALA 5 HB3 ALA 5 -8.322 3.250 -1.131
46 H GLU 6 HN GLU 6 -5.003 5.271 -2.335
47 HA GLU 6 HA GLU 6 -4.888 3.125 -4.321
48 HB2 GLU 6 HB2 GLU 6 -4.427 6.096 -4.554
49 HB3 GLU 6 HB1 GLU 6 -4.056 4.970 -5.851
50 HG2 GLU 6 HG2 GLU 6 -6.384 4.299 -5.969
51 HG3 GLU 6 HG1 GLU 6 -6.776 5.363 -4.619
52 H ASP 7 HN ASP 7 -2.678 5.528 -2.749
53 HA ASP 7 HA ASP 7 -0.331 4.278 -3.812
54 HB2 ASP 7 HB2 ASP 7 -0.675 6.695 -2.826
55 HB3 ASP 7 HB1 ASP 7 -0.185 5.924 -1.322
56 H VAL 8 HN VAL 8 -2.355 3.434 -1.153
57 HA VAL 8 HA VAL 8 -0.533 2.263 0.623
58 HB VAL 8 HB VAL 8 -2.926 2.681 1.131
59 HG11 VAL 8 HG11 VAL 8 -4.634 1.026 0.546
60 HG12 VAL 8 HG12 VAL 8 -3.470 0.201 -0.491
61 HG13 VAL 8 HG13 VAL 8 -3.985 1.843 -0.876
62 HG21 VAL 8 HG21 VAL 8 -2.050 -0.153 1.668
63 HG22 VAL 8 HG22 VAL 8 -3.274 0.745 2.567
64 HG23 VAL 8 HG23 VAL 8 -1.590 1.270 2.604
65 H GLY 9 HN GLY 9 -1.699 1.074 -2.444
66 HA2 GLY 9 HA2 GLY 9 -1.042 -1.679 -2.102
67 HA3 GLY 9 HA1 GLY 9 -1.328 -0.866 -3.628
68 H SER 10 HN SER 10 0.948 1.046 -2.582
69 HA SER 10 HA SER 10 3.213 -0.698 -3.287
70 HB2 SER 10 HB2 SER 10 4.175 1.243 -4.560
71 HB3 SER 10 HB1 SER 10 2.714 0.561 -5.275
72 HG SER 10 HG SER 10 2.164 2.614 -5.251
73 H ASN 11 HN ASN 11 1.964 1.915 -1.378
74 HA ASN 11 HA ASN 11 4.241 3.157 -0.396
75 HB2 ASN 11 HB2 ASN 11 1.702 3.638 0.005
76 HB3 ASN 11 HB1 ASN 11 1.905 2.603 1.412
77 HD21 ASN 11 HD21 ASN 11 1.592 4.165 2.924
78 HD22 ASN 11 HD22 ASN 11 2.679 5.482 3.185
79 H LYS 12 HN LYS 12 2.556 0.321 1.000
80 HA LYS 12 HA LYS 12 4.311 -0.142 3.142
81 HB2 LYS 12 HB2 LYS 12 2.434 -1.943 1.629
82 HB3 LYS 12 HB1 LYS 12 3.429 -2.555 2.944
83 HG2 LYS 12 HG2 LYS 12 2.404 -0.913 4.461
84 HG3 LYS 12 HG1 LYS 12 1.378 -0.355 3.139
85 HD2 LYS 12 HD2 LYS 12 1.317 -3.259 3.624
86 HD3 LYS 12 HD1 LYS 12 0.662 -2.271 4.930
87 HE2 LYS 12 HE2 LYS 12 -0.848 -1.177 3.361
88 HE3 LYS 12 HE1 LYS 12 -0.173 -2.121 2.034
89 HZ1 LYS 12 HZ1 LYS 12 -2.250 -3.064 2.820
90 HZ2 LYS 12 HZ2 LYS 12 -1.621 -3.224 4.382
91 HZ3 LYS 12 HZ3 LYS 12 -0.971 -4.133 3.112
92 H GLY 13 HN GLY 13 4.183 -1.684 -0.067
93 HA2 GLY 13 HA2 GLY 13 6.480 -3.280 0.131
94 HA3 GLY 13 HA1 GLY 13 5.764 -2.713 -1.368
95 H ALA 14 HN ALA 14 6.098 0.114 -0.673
96 HA ALA 14 HA ALA 14 8.794 0.479 -1.599
97 HB1 ALA 14 HB1 ALA 14 6.752 2.539 -0.767
98 HB2 ALA 14 HB2 ALA 14 6.967 1.902 -2.398
99 HB3 ALA 14 HB3 ALA 14 8.249 2.852 -1.646
100 H ILE 15 HN ILE 15 7.026 1.214 1.432
101 HA ILE 15 HA ILE 15 9.296 2.380 2.715
102 HB ILE 15 HB ILE 15 8.017 2.200 4.849
103 HG12 ILE 15 HG12 ILE 15 5.456 1.649 3.562
104 HG13 ILE 15 HG11 ILE 15 6.527 0.250 3.553
105 HG21 ILE 15 HG21 ILE 15 6.606 3.499 2.527
106 HG22 ILE 15 HG22 ILE 15 7.911 4.191 3.490
107 HG23 ILE 15 HG23 ILE 15 6.340 3.879 4.228
108 HD11 ILE 15 HD11 ILE 15 6.764 0.424 5.976
109 HD12 ILE 15 HD12 ILE 15 5.076 0.243 5.500
110 HD13 ILE 15 HD13 ILE 15 5.692 1.824 5.980
111 H ILE 16 HN ILE 16 7.999 -0.928 2.634
112 HA ILE 16 HA ILE 16 9.734 -1.877 4.712
113 HB ILE 16 HB ILE 16 9.202 -4.178 3.935
114 HG12 ILE 16 HG12 ILE 16 7.038 -3.975 2.272
115 HG13 ILE 16 HG11 ILE 16 8.098 -2.730 1.617
116 HG21 ILE 16 HG21 ILE 16 6.829 -4.120 4.545
117 HG22 ILE 16 HG22 ILE 16 6.832 -2.369 4.341
118 HG23 ILE 16 HG23 ILE 16 7.821 -3.112 5.598
119 HD11 ILE 16 HD11 ILE 16 8.814 -5.625 2.020
120 HD12 ILE 16 HD12 ILE 16 9.876 -4.380 1.362
121 HD13 ILE 16 HD13 ILE 16 8.420 -4.853 0.485
122 H GLY 17 HN GLY 17 9.883 -1.921 1.175
123 HA2 GLY 17 HA2 GLY 17 12.415 -3.223 0.976
124 HA3 GLY 17 HA1 GLY 17 11.591 -2.346 -0.304
125 H LEU 18 HN LEU 18 11.411 0.188 0.802
126 HA LEU 18 HA LEU 18 12.502 2.161 0.982
127 HB2 LEU 18 HB2 LEU 18 13.459 0.689 3.045
128 HB3 LEU 18 HB1 LEU 18 14.953 1.012 2.200
129 HG LEU 18 HG LEU 18 14.648 2.605 3.993
130 HD11 LEU 18 HD11 LEU 18 15.780 3.443 2.025
131 HD12 LEU 18 HD12 LEU 18 14.840 4.720 2.796
132 HD13 LEU 18 HD13 LEU 18 14.239 3.946 1.330
133 HD21 LEU 18 HD21 LEU 18 12.156 3.642 2.673
134 HD22 LEU 18 HD22 LEU 18 12.815 4.054 4.255
135 HD23 LEU 18 HD23 LEU 18 12.124 2.456 3.978
Start of MODEL 7
1 H1 LEU 1 HT1 LEU 1 -6.873 7.002 10.625
2 H2 LEU 1 HT2 LEU 1 -6.522 6.079 9.251
3 H3 LEU 1 HT3 LEU 1 -5.328 6.340 10.420
4 HA LEU 1 HA LEU 1 -6.530 5.077 12.034
5 HB2 LEU 1 HB2 LEU 1 -8.549 3.788 11.299
6 HB3 LEU 1 HB1 LEU 1 -8.789 5.513 11.451
7 HG LEU 1 HG LEU 1 -8.151 4.442 8.741
8 HD11 LEU 1 HD11 LEU 1 -10.514 3.925 8.347
9 HD12 LEU 1 HD12 LEU 1 -10.848 4.175 10.060
10 HD13 LEU 1 HD13 LEU 1 -9.799 2.852 9.549
11 HD21 LEU 1 HD21 LEU 1 -10.035 6.575 9.749
12 HD22 LEU 1 HD22 LEU 1 -9.679 6.220 8.059
13 HD23 LEU 1 HD23 LEU 1 -8.412 6.848 9.113
14 H VAL 2 HN VAL 2 -6.287 4.301 8.577
15 HA VAL 2 HA VAL 2 -4.859 1.844 9.325
16 HB VAL 2 HB VAL 2 -7.149 1.589 8.210
17 HG11 VAL 2 HG11 VAL 2 -7.257 1.706 5.768
18 HG12 VAL 2 HG12 VAL 2 -5.655 2.441 5.740
19 HG13 VAL 2 HG13 VAL 2 -6.999 3.288 6.503
20 HG21 VAL 2 HG21 VAL 2 -5.365 -0.187 8.360
21 HG22 VAL 2 HG22 VAL 2 -4.963 0.202 6.688
22 HG23 VAL 2 HG23 VAL 2 -6.569 -0.396 7.090
23 H PHE 3 HN PHE 3 -3.800 1.270 6.671
24 HA PHE 3 HA PHE 3 -2.168 3.628 6.055
25 HB2 PHE 3 HB2 PHE 3 -1.122 0.876 6.733
26 HB3 PHE 3 HB1 PHE 3 -0.159 2.085 5.891
27 HD1 PHE 3 HD1 PHE 3 0.649 4.057 7.041
28 HD2 PHE 3 HD2 PHE 3 -1.667 1.120 9.074
29 HE1 PHE 3 HE1 PHE 3 1.332 5.017 9.201
30 HE2 PHE 3 HE2 PHE 3 -0.989 2.076 11.236
31 HZ PHE 3 HZ PHE 3 0.512 4.028 11.301
32 H PHE 4 HN PHE 4 -3.827 0.806 5.031
33 HA PHE 4 HA PHE 4 -2.619 0.329 2.527
34 HB2 PHE 4 HB2 PHE 4 -4.298 -1.116 3.883
35 HB3 PHE 4 HB1 PHE 4 -5.537 -0.172 3.064
36 HD1 PHE 4 HD2 PHE 4 -5.859 -0.375 0.650
37 HD2 PHE 4 HD1 PHE 4 -3.001 -2.759 2.714
38 HE1 PHE 4 HE2 PHE 4 -5.726 -1.886 -1.287
39 HE2 PHE 4 HE1 PHE 4 -2.862 -4.274 0.780
40 HZ PHE 4 HZ PHE 4 -4.226 -3.838 -1.223
41 H ALA 5 HN ALA 5 -5.470 2.283 3.413
42 HA ALA 5 HA ALA 5 -6.238 3.115 0.854
43 HB1 ALA 5 HB1 ALA 5 -7.640 3.340 2.850
44 HB2 ALA 5 HB2 ALA 5 -7.498 4.861 1.968
45 HB3 ALA 5 HB3 ALA 5 -6.573 4.610 3.449
46 H GLU 6 HN GLU 6 -3.635 4.226 2.867
47 HA GLU 6 HA GLU 6 -3.199 6.592 1.201
48 HB2 GLU 6 HB2 GLU 6 -3.064 6.461 3.841
49 HB3 GLU 6 HB1 GLU 6 -1.440 5.875 3.520
50 HG2 GLU 6 HG2 GLU 6 -2.432 8.445 2.332
51 HG3 GLU 6 HG1 GLU 6 -1.773 8.377 3.964
52 H ASP 7 HN ASP 7 -1.380 3.751 2.411
53 HA ASP 7 HA ASP 7 0.836 4.150 0.660
54 HB2 ASP 7 HB2 ASP 7 0.052 1.685 2.226
55 HB3 ASP 7 HB1 ASP 7 1.594 1.938 1.414
56 H VAL 8 HN VAL 8 -2.249 2.911 0.102
57 HA VAL 8 HA VAL 8 -3.174 1.447 -1.417
58 HB VAL 8 HB VAL 8 -2.934 2.438 -3.761
59 HG11 VAL 8 HG11 VAL 8 -4.249 4.413 -3.142
60 HG12 VAL 8 HG12 VAL 8 -3.775 4.189 -1.459
61 HG13 VAL 8 HG13 VAL 8 -4.760 2.970 -2.268
62 HG21 VAL 8 HG21 VAL 8 -1.335 4.518 -2.255
63 HG22 VAL 8 HG22 VAL 8 -1.951 4.685 -3.900
64 HG23 VAL 8 HG23 VAL 8 -0.727 3.468 -3.536
65 H GLY 9 HN GLY 9 -1.335 1.766 -4.180
66 HA2 GLY 9 HA2 GLY 9 -0.756 -1.019 -4.332
67 HA3 GLY 9 HA1 GLY 9 -0.293 0.202 -5.502
68 H SER 10 HN SER 10 0.997 1.520 -2.929
69 HA SER 10 HA SER 10 3.634 0.456 -3.418
70 HB2 SER 10 HB2 SER 10 2.645 2.652 -1.576
71 HB3 SER 10 HB1 SER 10 4.344 2.248 -1.803
72 HG SER 10 HG SER 10 4.051 3.786 -3.275
73 H ASN 11 HN ASN 11 1.550 0.842 -0.545
74 HA ASN 11 HA ASN 11 1.575 -0.119 1.537
75 HB2 ASN 11 HB2 ASN 11 0.596 -1.795 -0.294
76 HB3 ASN 11 HB1 ASN 11 1.922 -2.795 0.288
77 HD21 ASN 11 HD21 ASN 11 1.808 -3.701 2.296
78 HD22 ASN 11 HD22 ASN 11 0.406 -3.618 3.301
79 H LYS 12 HN LYS 12 2.614 -2.431 2.627
80 HA LYS 12 HA LYS 12 5.040 -1.699 3.675
81 HB2 LYS 12 HB2 LYS 12 3.821 -4.429 3.319
82 HB3 LYS 12 HB1 LYS 12 5.333 -4.187 4.182
83 HG2 LYS 12 HG2 LYS 12 4.195 -2.722 5.773
84 HG3 LYS 12 HG1 LYS 12 2.677 -2.960 4.904
85 HD2 LYS 12 HD2 LYS 12 2.778 -5.356 5.388
86 HD3 LYS 12 HD1 LYS 12 4.298 -5.120 6.252
87 HE2 LYS 12 HE2 LYS 12 3.155 -3.661 7.851
88 HE3 LYS 12 HE1 LYS 12 1.638 -3.900 6.986
89 HZ1 LYS 12 HZ1 LYS 12 1.788 -5.332 8.925
90 HZ2 LYS 12 HZ2 LYS 12 3.212 -6.029 8.333
91 HZ3 LYS 12 HZ3 LYS 12 1.753 -6.256 7.507
92 H GLY 13 HN GLY 13 4.432 -3.757 0.861
93 HA2 GLY 13 HA2 GLY 13 6.953 -4.685 0.223
94 HA3 GLY 13 HA1 GLY 13 5.697 -4.349 -0.954
95 H ALA 14 HN ALA 14 5.545 -1.527 -0.665
96 HA ALA 14 HA ALA 14 8.073 -0.783 -1.930
97 HB1 ALA 14 HB1 ALA 14 5.333 0.345 -1.923
98 HB2 ALA 14 HB2 ALA 14 6.423 0.044 -3.274
99 HB3 ALA 14 HB3 ALA 14 6.680 1.440 -2.225
100 H ILE 15 HN ILE 15 6.108 -0.030 0.927
101 HA ILE 15 HA ILE 15 7.550 2.234 1.796
102 HB ILE 15 HB ILE 15 5.970 0.276 3.471
103 HG12 ILE 15 HG12 ILE 15 4.524 1.298 1.824
104 HG13 ILE 15 HG11 ILE 15 4.170 2.000 3.392
105 HG21 ILE 15 HG21 ILE 15 7.468 1.511 4.913
106 HG22 ILE 15 HG22 ILE 15 5.806 2.044 5.167
107 HG23 ILE 15 HG23 ILE 15 6.916 3.038 4.222
108 HD11 ILE 15 HD11 ILE 15 5.620 3.273 1.081
109 HD12 ILE 15 HD12 ILE 15 5.593 3.969 2.701
110 HD13 ILE 15 HD13 ILE 15 4.087 3.755 1.809
111 H ILE 16 HN ILE 16 8.270 -1.247 2.283
112 HA ILE 16 HA ILE 16 10.384 -0.536 4.154
113 HB ILE 16 HB ILE 16 10.796 -2.740 4.645
114 HG12 ILE 16 HG12 ILE 16 11.288 -3.633 2.416
115 HG13 ILE 16 HG11 ILE 16 10.283 -4.735 3.337
116 HG21 ILE 16 HG21 ILE 16 8.655 -3.889 4.975
117 HG22 ILE 16 HG22 ILE 16 7.885 -2.709 3.915
118 HG23 ILE 16 HG23 ILE 16 8.620 -2.186 5.431
119 HD11 ILE 16 HD11 ILE 16 9.671 -4.639 0.972
120 HD12 ILE 16 HD12 ILE 16 9.312 -2.921 1.136
121 HD13 ILE 16 HD13 ILE 16 8.351 -4.109 2.015
122 H GLY 17 HN GLY 17 10.072 -1.432 0.791
123 HA2 GLY 17 HA2 GLY 17 12.851 -1.730 0.219
124 HA3 GLY 17 HA1 GLY 17 11.566 -1.507 -0.955
125 H LEU 18 HN LEU 18 10.572 0.974 -0.121
126 HA LEU 18 HA LEU 18 12.858 2.796 -0.346
127 HB2 LEU 18 HB2 LEU 18 11.571 4.166 -2.004
128 HB3 LEU 18 HB1 LEU 18 12.150 2.628 -2.606
129 HG LEU 18 HG LEU 18 9.348 2.742 -1.587
130 HD11 LEU 18 HD11 LEU 18 9.499 4.773 -2.913
131 HD12 LEU 18 HD12 LEU 18 8.548 3.551 -3.759
132 HD13 LEU 18 HD13 LEU 18 10.213 3.867 -4.248
133 HD21 LEU 18 HD21 LEU 18 10.668 1.371 -3.931
134 HD22 LEU 18 HD22 LEU 18 8.994 1.159 -3.418
135 HD23 LEU 18 HD23 LEU 18 10.311 0.635 -2.368
Start of MODEL 8
1 H1 LEU 1 HT1 LEU 1 -12.677 -0.154 4.105
2 H2 LEU 1 HT2 LEU 1 -13.120 -1.209 2.860
3 H3 LEU 1 HT3 LEU 1 -14.149 0.059 3.299
4 HA LEU 1 HA LEU 1 -11.456 0.346 2.102
5 HB2 LEU 1 HB2 LEU 1 -14.242 0.607 0.972
6 HB3 LEU 1 HB1 LEU 1 -12.883 1.414 0.229
7 HG LEU 1 HG LEU 1 -13.417 -0.601 -0.989
8 HD11 LEU 1 HD11 LEU 1 -10.878 -1.180 0.507
9 HD12 LEU 1 HD12 LEU 1 -11.023 0.081 -0.716
10 HD13 LEU 1 HD13 LEU 1 -11.292 -1.606 -1.153
11 HD21 LEU 1 HD21 LEU 1 -13.394 -2.800 -0.090
12 HD22 LEU 1 HD22 LEU 1 -14.452 -1.823 0.929
13 HD23 LEU 1 HD23 LEU 1 -12.824 -2.222 1.476
14 H VAL 2 HN VAL 2 -10.542 2.028 3.098
15 HA VAL 2 HA VAL 2 -12.097 4.518 3.313
16 HB VAL 2 HB VAL 2 -10.025 3.889 5.410
17 HG11 VAL 2 HG11 VAL 2 -10.882 6.204 5.117
18 HG12 VAL 2 HG12 VAL 2 -11.193 5.532 6.718
19 HG13 VAL 2 HG13 VAL 2 -12.493 5.619 5.530
20 HG21 VAL 2 HG21 VAL 2 -11.600 2.029 5.549
21 HG22 VAL 2 HG22 VAL 2 -12.950 3.161 5.618
22 HG23 VAL 2 HG23 VAL 2 -11.780 3.106 6.935
23 H PHE 3 HN PHE 3 -8.718 3.409 3.829
24 HA PHE 3 HA PHE 3 -7.801 5.208 1.723
25 HB2 PHE 3 HB2 PHE 3 -5.996 6.136 3.205
26 HB3 PHE 3 HB1 PHE 3 -7.620 6.671 3.611
27 HD1 PHE 3 HD2 PHE 3 -4.779 4.607 4.667
28 HD2 PHE 3 HD1 PHE 3 -8.644 6.055 5.698
29 HE1 PHE 3 HE2 PHE 3 -4.424 3.885 6.992
30 HE2 PHE 3 HE1 PHE 3 -8.297 5.336 8.026
31 HZ PHE 3 HZ PHE 3 -6.185 4.249 8.675
32 H PHE 4 HN PHE 4 -7.421 2.376 3.612
33 HA PHE 4 HA PHE 4 -4.746 1.693 3.220
34 HB2 PHE 4 HB2 PHE 4 -6.613 0.572 4.653
35 HB3 PHE 4 HB1 PHE 4 -6.900 -0.395 3.211
36 HD1 PHE 4 HD1 PHE 4 -5.272 -2.018 2.456
37 HD2 PHE 4 HD2 PHE 4 -4.583 0.323 5.942
38 HE1 PHE 4 HE1 PHE 4 -3.451 -3.539 3.112
39 HE2 PHE 4 HE2 PHE 4 -2.761 -1.193 6.605
40 HZ PHE 4 HZ PHE 4 -2.193 -3.127 5.189
41 H ALA 5 HN ALA 5 -7.565 0.991 1.163
42 HA ALA 5 HA ALA 5 -6.356 -0.657 -0.739
43 HB1 ALA 5 HB1 ALA 5 -8.231 -0.065 -2.197
44 HB2 ALA 5 HB2 ALA 5 -8.654 1.256 -1.107
45 HB3 ALA 5 HB3 ALA 5 -8.759 -0.414 -0.551
46 H GLU 6 HN GLU 6 -6.472 2.868 -0.561
47 HA GLU 6 HA GLU 6 -5.113 3.132 -3.122
48 HB2 GLU 6 HB2 GLU 6 -5.273 5.616 -2.642
49 HB3 GLU 6 HB1 GLU 6 -6.795 4.770 -2.850
50 HG2 GLU 6 HG2 GLU 6 -7.126 4.751 -0.433
51 HG3 GLU 6 HG1 GLU 6 -5.580 5.569 -0.208
52 H ASP 7 HN ASP 7 -4.454 3.580 0.319
53 HA ASP 7 HA ASP 7 -1.857 4.704 0.001
54 HB2 ASP 7 HB2 ASP 7 -3.346 3.504 2.308
55 HB3 ASP 7 HB1 ASP 7 -1.635 3.890 2.463
56 H VAL 8 HN VAL 8 -3.046 1.404 0.118
57 HA VAL 8 HA VAL 8 -0.641 0.081 0.766
58 HB VAL 8 HB VAL 8 -2.914 -0.948 0.863
59 HG11 VAL 8 HG11 VAL 8 -3.870 -2.001 -1.130
60 HG12 VAL 8 HG12 VAL 8 -2.642 -1.222 -2.126
61 HG13 VAL 8 HG13 VAL 8 -3.830 -0.243 -1.264
62 HG21 VAL 8 HG21 VAL 8 -2.214 -3.207 0.137
63 HG22 VAL 8 HG22 VAL 8 -0.994 -2.367 1.093
64 HG23 VAL 8 HG23 VAL 8 -0.814 -2.483 -0.656
65 H GLY 9 HN GLY 9 -1.780 1.419 -2.248
66 HA2 GLY 9 HA2 GLY 9 -0.048 -0.001 -4.011
67 HA3 GLY 9 HA1 GLY 9 -0.907 1.484 -4.376
68 H SER 10 HN SER 10 0.626 2.474 -1.774
69 HA SER 10 HA SER 10 3.204 2.984 -3.095
70 HB2 SER 10 HB2 SER 10 1.645 4.937 -3.349
71 HB3 SER 10 HB1 SER 10 1.627 5.088 -1.593
72 HG SER 10 HG SER 10 4.086 5.101 -1.987
73 H ASN 11 HN ASN 11 1.430 3.260 0.009
74 HA ASN 11 HA ASN 11 3.640 3.554 1.698
75 HB2 ASN 11 HB2 ASN 11 1.075 3.753 2.176
76 HB3 ASN 11 HB1 ASN 11 1.205 2.051 2.605
77 HD21 ASN 11 HD21 ASN 11 2.087 5.298 3.446
78 HD22 ASN 11 HD22 ASN 11 2.664 4.949 5.036
79 H LYS 12 HN LYS 12 1.887 0.554 0.841
80 HA LYS 12 HA LYS 12 3.501 -1.246 2.267
81 HB2 LYS 12 HB2 LYS 12 1.207 -1.562 1.007
82 HB3 LYS 12 HB1 LYS 12 2.237 -2.039 -0.333
83 HG2 LYS 12 HG2 LYS 12 1.774 -4.071 0.641
84 HG3 LYS 12 HG1 LYS 12 3.302 -3.655 1.417
85 HD2 LYS 12 HD2 LYS 12 2.058 -2.788 3.359
86 HD3 LYS 12 HD1 LYS 12 0.544 -3.248 2.580
87 HE2 LYS 12 HE2 LYS 12 2.739 -5.221 3.157
88 HE3 LYS 12 HE1 LYS 12 1.468 -4.851 4.320
89 HZ1 LYS 12 HZ1 LYS 12 1.038 -5.914 1.578
90 HZ2 LYS 12 HZ2 LYS 12 -0.175 -5.575 2.708
91 HZ3 LYS 12 HZ3 LYS 12 0.938 -6.812 3.008
92 H GLY 13 HN GLY 13 3.595 -0.307 -1.170
93 HA2 GLY 13 HA2 GLY 13 5.878 -1.735 -1.950
94 HA3 GLY 13 HA1 GLY 13 5.261 -0.296 -2.743
95 H ALA 14 HN ALA 14 5.543 1.397 -0.380
96 HA ALA 14 HA ALA 14 8.297 2.145 -0.691
97 HB1 ALA 14 HB1 ALA 14 6.207 3.261 1.176
98 HB2 ALA 14 HB2 ALA 14 6.538 3.831 -0.459
99 HB3 ALA 14 HB3 ALA 14 7.763 3.999 0.797
100 H ILE 15 HN ILE 15 6.325 0.818 1.992
101 HA ILE 15 HA ILE 15 8.502 0.762 3.838
102 HB ILE 15 HB ILE 15 7.080 -0.697 5.272
103 HG12 ILE 15 HG12 ILE 15 4.617 -0.187 3.788
104 HG13 ILE 15 HG11 ILE 15 5.696 -1.299 2.948
105 HG21 ILE 15 HG21 ILE 15 7.053 1.704 5.520
106 HG22 ILE 15 HG22 ILE 15 5.437 1.049 5.794
107 HG23 ILE 15 HG23 ILE 15 5.819 1.846 4.267
108 HD11 ILE 15 HD11 ILE 15 4.598 -1.600 5.734
109 HD12 ILE 15 HD12 ILE 15 5.782 -2.681 4.998
110 HD13 ILE 15 HD13 ILE 15 4.165 -2.544 4.309
111 H ILE 16 HN ILE 16 7.227 -1.632 1.542
112 HA ILE 16 HA ILE 16 8.825 -3.776 2.588
113 HB ILE 16 HB ILE 16 8.346 -5.004 0.484
114 HG12 ILE 16 HG12 ILE 16 6.302 -3.680 -0.770
115 HG13 ILE 16 HG11 ILE 16 7.409 -2.357 -0.410
116 HG21 ILE 16 HG21 ILE 16 5.949 -3.782 1.835
117 HG22 ILE 16 HG22 ILE 16 6.845 -5.209 2.357
118 HG23 ILE 16 HG23 ILE 16 5.930 -5.244 0.849
119 HD11 ILE 16 HD11 ILE 16 7.805 -3.272 -2.624
120 HD12 ILE 16 HD12 ILE 16 8.094 -4.865 -1.925
121 HD13 ILE 16 HD13 ILE 16 9.197 -3.534 -1.574
122 H GLY 17 HN GLY 17 9.193 -1.514 -0.111
123 HA2 GLY 17 HA2 GLY 17 11.733 -2.472 -0.990
124 HA3 GLY 17 HA1 GLY 17 10.988 -0.943 -1.428
125 H LEU 18 HN LEU 18 10.743 0.248 1.077
126 HA LEU 18 HA LEU 18 13.548 0.522 1.937
127 HB2 LEU 18 HB2 LEU 18 11.456 2.673 1.597
128 HB3 LEU 18 HB1 LEU 18 12.983 2.927 2.417
129 HG LEU 18 HG LEU 18 13.027 1.899 -0.389
130 HD11 LEU 18 HD11 LEU 18 11.447 3.732 -0.511
131 HD12 LEU 18 HD12 LEU 18 12.984 4.208 -1.232
132 HD13 LEU 18 HD13 LEU 18 12.554 4.776 0.381
133 HD21 LEU 18 HD21 LEU 18 15.086 3.223 -0.474
134 HD22 LEU 18 HD22 LEU 18 15.112 2.079 0.869
135 HD23 LEU 18 HD23 LEU 18 14.794 3.785 1.173
Start of MODEL 9
1 H1 LEU 1 HT1 LEU 1 -1.053 12.778 -0.568
2 H2 LEU 1 HT2 LEU 1 -0.121 14.175 -0.769
3 H3 LEU 1 HT3 LEU 1 -0.293 13.488 0.768
4 HA LEU 1 HA LEU 1 1.045 12.219 -1.545
5 HB2 LEU 1 HB2 LEU 1 3.125 12.522 -0.177
6 HB3 LEU 1 HB1 LEU 1 2.439 13.993 -0.829
7 HG LEU 1 HG LEU 1 1.712 13.258 1.968
8 HD11 LEU 1 HD11 LEU 1 4.389 14.398 1.178
9 HD12 LEU 1 HD12 LEU 1 4.102 12.829 1.931
10 HD13 LEU 1 HD13 LEU 1 3.754 14.311 2.822
11 HD21 LEU 1 HD21 LEU 1 1.807 15.687 2.254
12 HD22 LEU 1 HD22 LEU 1 0.752 15.240 0.913
13 HD23 LEU 1 HD23 LEU 1 2.370 15.863 0.591
14 H VAL 2 HN VAL 2 -0.750 11.672 1.200
15 HA VAL 2 HA VAL 2 0.376 8.968 1.495
16 HB VAL 2 HB VAL 2 -0.891 10.155 3.923
17 HG11 VAL 2 HG11 VAL 2 -0.155 7.845 3.921
18 HG12 VAL 2 HG12 VAL 2 0.799 8.790 5.064
19 HG13 VAL 2 HG13 VAL 2 1.483 8.344 3.502
20 HG21 VAL 2 HG21 VAL 2 1.363 11.029 4.674
21 HG22 VAL 2 HG22 VAL 2 0.517 12.005 3.474
22 HG23 VAL 2 HG23 VAL 2 1.853 10.966 2.980
23 H PHE 3 HN PHE 3 -1.807 8.627 3.637
24 HA PHE 3 HA PHE 3 -3.954 8.064 3.910
25 HB2 PHE 3 HB2 PHE 3 -4.387 10.072 2.228
26 HB3 PHE 3 HB1 PHE 3 -4.833 8.772 1.132
27 HD1 PHE 3 HD2 PHE 3 -5.615 10.289 4.423
28 HD2 PHE 3 HD1 PHE 3 -6.938 7.743 1.278
29 HE1 PHE 3 HE2 PHE 3 -7.866 10.237 5.415
30 HE2 PHE 3 HE1 PHE 3 -9.190 7.690 2.264
31 HZ PHE 3 HZ PHE 3 -9.656 8.936 4.336
32 H PHE 4 HN PHE 4 -5.805 6.595 2.433
33 HA PHE 4 HA PHE 4 -4.598 4.067 2.409
34 HB2 PHE 4 HB2 PHE 4 -7.259 5.037 1.384
35 HB3 PHE 4 HB1 PHE 4 -6.789 3.341 1.350
36 HD1 PHE 4 HD2 PHE 4 -6.614 2.058 3.394
37 HD2 PHE 4 HD1 PHE 4 -7.749 6.159 3.468
38 HE1 PHE 4 HE2 PHE 4 -7.401 1.794 5.711
39 HE2 PHE 4 HE1 PHE 4 -8.537 5.903 5.784
40 HZ PHE 4 HZ PHE 4 -8.364 3.718 6.908
41 H ALA 5 HN ALA 5 -5.905 5.905 -0.369
42 HA ALA 5 HA ALA 5 -5.219 4.170 -2.419
43 HB1 ALA 5 HB1 ALA 5 -5.367 7.172 -2.577
44 HB2 ALA 5 HB2 ALA 5 -6.742 6.070 -2.652
45 HB3 ALA 5 HB3 ALA 5 -5.517 6.040 -3.921
46 H GLU 6 HN GLU 6 -3.125 6.370 -0.705
47 HA GLU 6 HA GLU 6 -1.013 5.973 -2.697
48 HB2 GLU 6 HB2 GLU 6 -1.326 7.974 -0.472
49 HB3 GLU 6 HB1 GLU 6 0.203 7.735 -1.308
50 HG2 GLU 6 HG2 GLU 6 -0.843 8.322 -3.425
51 HG3 GLU 6 HG1 GLU 6 -2.396 8.522 -2.614
52 H ASP 7 HN ASP 7 -1.665 5.545 0.800
53 HA ASP 7 HA ASP 7 0.892 4.417 1.374
54 HB2 ASP 7 HB2 ASP 7 -0.941 5.393 2.980
55 HB3 ASP 7 HB1 ASP 7 -1.522 3.731 3.009
56 H VAL 8 HN VAL 8 -2.130 3.030 0.217
57 HA VAL 8 HA VAL 8 -1.320 0.291 0.722
58 HB VAL 8 HB VAL 8 -3.730 1.325 -0.809
59 HG11 VAL 8 HG11 VAL 8 -3.172 -0.954 -1.494
60 HG12 VAL 8 HG12 VAL 8 -4.655 -0.932 -0.539
61 HG13 VAL 8 HG13 VAL 8 -3.142 -1.463 0.195
62 HG21 VAL 8 HG21 VAL 8 -3.505 0.293 2.019
63 HG22 VAL 8 HG22 VAL 8 -5.007 0.723 1.199
64 HG23 VAL 8 HG23 VAL 8 -3.801 1.965 1.540
65 H GLY 9 HN GLY 9 -1.177 2.582 -1.903
66 HA2 GLY 9 HA2 GLY 9 -0.736 0.738 -4.035
67 HA3 GLY 9 HA1 GLY 9 -0.366 2.454 -4.058
68 H SER 10 HN SER 10 1.228 1.653 -1.446
69 HA SER 10 HA SER 10 3.620 0.615 -2.802
70 HB2 SER 10 HB2 SER 10 3.471 2.921 -0.840
71 HB3 SER 10 HB1 SER 10 4.975 2.189 -1.391
72 HG SER 10 HG SER 10 4.606 3.914 -2.710
73 H ASN 11 HN ASN 11 2.034 1.219 0.323
74 HA ASN 11 HA ASN 11 2.167 0.260 2.375
75 HB2 ASN 11 HB2 ASN 11 1.369 -1.669 0.418
76 HB3 ASN 11 HB1 ASN 11 2.255 -2.494 1.698
77 HD21 ASN 11 HD21 ASN 11 1.446 -2.464 3.798
78 HD22 ASN 11 HD22 ASN 11 -0.197 -2.052 4.139
79 H LYS 12 HN LYS 12 3.180 -2.028 3.451
80 HA LYS 12 HA LYS 12 5.720 -1.417 4.273
81 HB2 LYS 12 HB2 LYS 12 3.962 -3.234 5.039
82 HB3 LYS 12 HB1 LYS 12 4.960 -4.297 4.058
83 HG2 LYS 12 HG2 LYS 12 6.908 -3.741 5.403
84 HG3 LYS 12 HG1 LYS 12 5.938 -2.623 6.365
85 HD2 LYS 12 HD2 LYS 12 4.525 -4.490 7.094
86 HD3 LYS 12 HD1 LYS 12 5.504 -5.602 6.138
87 HE2 LYS 12 HE2 LYS 12 6.292 -5.799 8.350
88 HE3 LYS 12 HE1 LYS 12 7.487 -4.817 7.504
89 HZ1 LYS 12 HZ1 LYS 12 6.976 -3.905 9.680
90 HZ2 LYS 12 HZ2 LYS 12 5.338 -3.781 9.277
91 HZ3 LYS 12 HZ3 LYS 12 6.482 -2.836 8.464
92 H GLY 13 HN GLY 13 4.773 -3.610 1.659
93 HA2 GLY 13 HA2 GLY 13 7.202 -4.686 0.893
94 HA3 GLY 13 HA1 GLY 13 5.840 -4.437 -0.182
95 H ALA 14 HN ALA 14 5.720 -1.662 -0.380
96 HA ALA 14 HA ALA 14 8.134 -1.188 -1.934
97 HB1 ALA 14 HB1 ALA 14 6.812 1.002 -2.474
98 HB2 ALA 14 HB2 ALA 14 5.459 0.086 -1.810
99 HB3 ALA 14 HB3 ALA 14 6.346 -0.537 -3.198
100 H ILE 15 HN ILE 15 6.452 0.280 0.879
101 HA ILE 15 HA ILE 15 8.216 2.471 1.135
102 HB ILE 15 HB ILE 15 5.929 2.264 2.204
103 HG12 ILE 15 HG12 ILE 15 7.597 3.153 4.446
104 HG13 ILE 15 HG11 ILE 15 8.103 3.815 2.896
105 HG21 ILE 15 HG21 ILE 15 6.807 1.365 4.772
106 HG22 ILE 15 HG22 ILE 15 7.119 0.115 3.570
107 HG23 ILE 15 HG23 ILE 15 5.488 0.757 3.769
108 HD11 ILE 15 HD11 ILE 15 5.846 4.676 2.532
109 HD12 ILE 15 HD12 ILE 15 6.553 5.300 4.023
110 HD13 ILE 15 HD13 ILE 15 5.346 4.015 4.090
111 H ILE 16 HN ILE 16 8.527 -0.860 2.240
112 HA ILE 16 HA ILE 16 10.926 -0.193 3.779
113 HB ILE 16 HB ILE 16 9.125 -2.555 3.660
114 HG12 ILE 16 HG12 ILE 16 9.886 -2.622 6.126
115 HG13 ILE 16 HG11 ILE 16 10.653 -1.077 5.796
116 HG21 ILE 16 HG21 ILE 16 10.766 -4.109 4.607
117 HG22 ILE 16 HG22 ILE 16 12.044 -2.926 4.327
118 HG23 ILE 16 HG23 ILE 16 11.187 -3.639 2.960
119 HD11 ILE 16 HD11 ILE 16 8.377 -0.985 6.847
120 HD12 ILE 16 HD12 ILE 16 7.733 -1.584 5.319
121 HD13 ILE 16 HD13 ILE 16 8.575 -0.038 5.375
122 H GLY 17 HN GLY 17 9.928 -1.799 0.817
123 HA2 GLY 17 HA2 GLY 17 12.483 -2.821 0.072
124 HA3 GLY 17 HA1 GLY 17 11.095 -2.627 -0.984
125 H LEU 18 HN LEU 18 10.922 0.289 -0.379
126 HA LEU 18 HA LEU 18 13.247 1.191 -1.950
127 HB2 LEU 18 HB2 LEU 18 10.355 2.035 -2.107
128 HB3 LEU 18 HB1 LEU 18 11.639 3.027 -2.754
129 HG LEU 18 HG LEU 18 10.604 1.834 -4.555
130 HD11 LEU 18 HD11 LEU 18 13.110 2.072 -4.554
131 HD12 LEU 18 HD12 LEU 18 12.445 0.835 -5.619
132 HD13 LEU 18 HD13 LEU 18 13.184 0.372 -4.087
133 HD21 LEU 18 HD21 LEU 18 9.589 0.006 -3.331
134 HD22 LEU 18 HD22 LEU 18 11.175 -0.715 -3.053
135 HD23 LEU 18 HD23 LEU 18 10.530 -0.607 -4.691
Start of MODEL 10
1 H1 LEU 1 HT1 LEU 1 -10.626 3.659 -1.031
2 H2 LEU 1 HT2 LEU 1 -9.239 4.618 -0.915
3 H3 LEU 1 HT3 LEU 1 -10.241 4.745 -2.271
4 HA LEU 1 HA LEU 1 -10.548 6.605 -0.781
5 HB2 LEU 1 HB2 LEU 1 -13.032 6.369 -0.477
6 HB3 LEU 1 HB1 LEU 1 -12.439 6.080 -2.097
7 HG LEU 1 HG LEU 1 -12.493 3.539 -1.174
8 HD11 LEU 1 HD11 LEU 1 -14.408 3.143 0.183
9 HD12 LEU 1 HD12 LEU 1 -14.871 4.843 0.129
10 HD13 LEU 1 HD13 LEU 1 -13.421 4.353 1.003
11 HD21 LEU 1 HD21 LEU 1 -14.809 5.073 -2.347
12 HD22 LEU 1 HD22 LEU 1 -14.630 3.319 -2.356
13 HD23 LEU 1 HD23 LEU 1 -13.488 4.327 -3.246
14 H VAL 2 HN VAL 2 -11.142 3.482 0.758
15 HA VAL 2 HA VAL 2 -11.389 4.774 3.366
16 HB VAL 2 HB VAL 2 -13.084 3.112 2.898
17 HG11 VAL 2 HG11 VAL 2 -11.946 1.690 1.310
18 HG12 VAL 2 HG12 VAL 2 -12.605 0.727 2.633
19 HG13 VAL 2 HG13 VAL 2 -10.879 1.086 2.578
20 HG21 VAL 2 HG21 VAL 2 -12.433 3.321 5.216
21 HG22 VAL 2 HG22 VAL 2 -11.170 2.110 4.999
22 HG23 VAL 2 HG23 VAL 2 -12.865 1.649 4.857
23 H PHE 3 HN PHE 3 -9.397 2.243 1.803
24 HA PHE 3 HA PHE 3 -7.192 3.000 3.582
25 HB2 PHE 3 HB2 PHE 3 -6.518 0.575 3.759
26 HB3 PHE 3 HB1 PHE 3 -7.963 1.018 4.648
27 HD1 PHE 3 HD1 PHE 3 -6.807 -0.603 1.504
28 HD2 PHE 3 HD2 PHE 3 -9.949 -0.164 4.343
29 HE1 PHE 3 HE1 PHE 3 -8.019 -2.462 0.445
30 HE2 PHE 3 HE2 PHE 3 -11.166 -2.020 3.286
31 HZ PHE 3 HZ PHE 3 -10.203 -3.173 1.336
32 H PHE 4 HN PHE 4 -8.303 2.154 0.473
33 HA PHE 4 HA PHE 4 -5.917 1.269 -0.754
34 HB2 PHE 4 HB2 PHE 4 -8.385 1.208 -1.595
35 HB3 PHE 4 HB1 PHE 4 -8.026 2.803 -2.245
36 HD1 PHE 4 HD1 PHE 4 -7.354 -0.779 -2.508
37 HD2 PHE 4 HD2 PHE 4 -6.478 3.075 -4.088
38 HE1 PHE 4 HE1 PHE 4 -6.351 -1.825 -4.496
39 HE2 PHE 4 HE2 PHE 4 -5.474 2.035 -6.078
40 HZ PHE 4 HZ PHE 4 -5.411 -0.418 -6.285
41 H ALA 5 HN ALA 5 -7.367 4.506 -0.458
42 HA ALA 5 HA ALA 5 -5.447 5.918 -1.982
43 HB1 ALA 5 HB1 ALA 5 -6.401 7.924 -0.996
44 HB2 ALA 5 HB2 ALA 5 -7.226 6.951 0.222
45 HB3 ALA 5 HB3 ALA 5 -7.674 6.803 -1.477
46 H GLU 6 HN GLU 6 -5.425 4.746 1.271
47 HA GLU 6 HA GLU 6 -3.158 6.408 2.058
48 HB2 GLU 6 HB2 GLU 6 -4.835 4.381 3.544
49 HB3 GLU 6 HB1 GLU 6 -3.381 5.086 4.233
50 HG2 GLU 6 HG2 GLU 6 -5.613 6.813 3.227
51 HG3 GLU 6 HG1 GLU 6 -5.653 6.111 4.842
52 H ASP 7 HN ASP 7 -3.960 2.983 1.529
53 HA ASP 7 HA ASP 7 -1.335 1.988 2.017
54 HB2 ASP 7 HB2 ASP 7 -3.647 0.756 2.013
55 HB3 ASP 7 HB1 ASP 7 -3.321 0.539 0.297
56 H VAL 8 HN VAL 8 -2.979 3.253 -0.790
57 HA VAL 8 HA VAL 8 -2.506 3.426 -3.003
58 HB VAL 8 HB VAL 8 -0.344 4.572 -3.511
59 HG11 VAL 8 HG11 VAL 8 -2.291 5.844 -2.876
60 HG12 VAL 8 HG12 VAL 8 -0.838 6.591 -2.211
61 HG13 VAL 8 HG13 VAL 8 -1.900 5.645 -1.168
62 HG21 VAL 8 HG21 VAL 8 1.104 3.495 -1.836
63 HG22 VAL 8 HG22 VAL 8 0.217 4.315 -0.553
64 HG23 VAL 8 HG23 VAL 8 1.152 5.254 -1.716
65 H GLY 9 HN GLY 9 0.201 3.141 -4.286
66 HA2 GLY 9 HA2 GLY 9 -0.025 0.404 -5.070
67 HA3 GLY 9 HA1 GLY 9 1.228 1.530 -5.570
68 H SER 10 HN SER 10 0.191 -0.293 -2.690
69 HA SER 10 HA SER 10 1.280 -1.462 -1.091
70 HB2 SER 10 HB2 SER 10 2.155 -2.742 -3.051
71 HB3 SER 10 HB1 SER 10 3.571 -1.691 -3.060
72 HG SER 10 HG SER 10 3.240 -3.878 -1.667
73 H ASN 11 HN ASN 11 1.236 0.794 -0.137
74 HA ASN 11 HA ASN 11 3.471 2.449 0.046
75 HB2 ASN 11 HB2 ASN 11 1.025 2.738 0.958
76 HB3 ASN 11 HB1 ASN 11 1.693 2.050 2.432
77 HD21 ASN 11 HD21 ASN 11 0.634 4.744 1.755
78 HD22 ASN 11 HD22 ASN 11 1.874 5.848 2.231
79 H LYS 12 HN LYS 12 2.507 -0.179 2.275
80 HA LYS 12 HA LYS 12 4.748 -0.064 3.969
81 HB2 LYS 12 HB2 LYS 12 2.816 -2.285 3.323
82 HB3 LYS 12 HB1 LYS 12 4.118 -2.491 4.486
83 HG2 LYS 12 HG2 LYS 12 3.210 -0.644 5.818
84 HG3 LYS 12 HG1 LYS 12 1.892 -0.469 4.658
85 HD2 LYS 12 HD2 LYS 12 1.147 -2.743 5.150
86 HD3 LYS 12 HD1 LYS 12 2.480 -2.942 6.288
87 HE2 LYS 12 HE2 LYS 12 0.586 -2.436 7.598
88 HE3 LYS 12 HE1 LYS 12 1.536 -0.954 7.536
89 HZ1 LYS 12 HZ1 LYS 12 -0.815 -0.514 7.205
90 HZ2 LYS 12 HZ2 LYS 12 -0.850 -1.547 5.868
91 HZ3 LYS 12 HZ3 LYS 12 0.061 -0.123 5.811
92 H GLY 13 HN GLY 13 4.061 -2.137 1.155
93 HA2 GLY 13 HA2 GLY 13 6.501 -3.546 1.097
94 HA3 GLY 13 HA1 GLY 13 5.417 -3.325 -0.269
95 H ALA 14 HN ALA 14 5.575 -0.400 -0.156
96 HA ALA 14 HA ALA 14 7.949 -0.019 -1.724
97 HB1 ALA 14 HB1 ALA 14 5.860 1.134 -2.271
98 HB2 ALA 14 HB2 ALA 14 7.178 2.274 -2.001
99 HB3 ALA 14 HB3 ALA 14 5.957 2.028 -0.753
100 H ILE 15 HN ILE 15 6.819 1.298 1.429
101 HA ILE 15 HA ILE 15 9.223 2.727 1.958
102 HB ILE 15 HB ILE 15 8.427 2.927 4.314
103 HG12 ILE 15 HG12 ILE 15 5.720 1.962 3.699
104 HG13 ILE 15 HG11 ILE 15 6.919 0.678 3.815
105 HG21 ILE 15 HG21 ILE 15 6.518 4.372 3.774
106 HG22 ILE 15 HG22 ILE 15 6.455 3.666 2.160
107 HG23 ILE 15 HG23 ILE 15 7.867 4.596 2.660
108 HD11 ILE 15 HD11 ILE 15 7.533 1.467 6.047
109 HD12 ILE 15 HD12 ILE 15 5.824 1.046 5.946
110 HD13 ILE 15 HD13 ILE 15 6.317 2.739 5.926
111 H ILE 16 HN ILE 16 8.124 -0.512 2.895
112 HA ILE 16 HA ILE 16 10.472 -1.005 4.521
113 HB ILE 16 HB ILE 16 8.395 -2.995 3.555
114 HG12 ILE 16 HG12 ILE 16 7.273 -1.341 4.928
115 HG13 ILE 16 HG11 ILE 16 7.412 -2.834 5.838
116 HG21 ILE 16 HG21 ILE 16 10.436 -4.123 4.199
117 HG22 ILE 16 HG22 ILE 16 9.174 -4.439 5.389
118 HG23 ILE 16 HG23 ILE 16 10.450 -3.276 5.746
119 HD11 ILE 16 HD11 ILE 16 9.322 -1.838 7.078
120 HD12 ILE 16 HD12 ILE 16 7.803 -0.970 7.296
121 HD13 ILE 16 HD13 ILE 16 9.040 -0.323 6.218
122 H GLY 17 HN GLY 17 9.348 -1.708 1.264
123 HA2 GLY 17 HA2 GLY 17 11.446 -3.487 0.514
124 HA3 GLY 17 HA1 GLY 17 10.354 -2.651 -0.576
125 H LEU 18 HN LEU 18 10.971 0.014 0.085
126 HA LEU 18 HA LEU 18 13.837 0.286 -0.430
127 HB2 LEU 18 HB2 LEU 18 13.358 1.984 -2.224
128 HB3 LEU 18 HB1 LEU 18 13.030 0.320 -2.651
129 HG LEU 18 HG LEU 18 10.563 1.085 -1.843
130 HD11 LEU 18 HD11 LEU 18 10.099 3.308 -2.731
131 HD12 LEU 18 HD12 LEU 18 11.815 3.539 -3.065
132 HD13 LEU 18 HD13 LEU 18 11.253 3.382 -1.401
133 HD21 LEU 18 HD21 LEU 18 11.101 -0.028 -3.935
134 HD22 LEU 18 HD22 LEU 18 11.762 1.474 -4.582
135 HD23 LEU 18 HD23 LEU 18 10.040 1.351 -4.224
Start of MODEL 11
1 H1 LEU 1 HT1 LEU 1 -12.667 4.535 0.676
2 H2 LEU 1 HT2 LEU 1 -13.201 5.490 1.965
3 H3 LEU 1 HT3 LEU 1 -12.358 4.055 2.268
4 HA LEU 1 HA LEU 1 -10.400 4.988 1.160
5 HB2 LEU 1 HB2 LEU 1 -12.069 7.514 1.207
6 HB3 LEU 1 HB1 LEU 1 -10.358 7.468 0.864
7 HG LEU 1 HG LEU 1 -11.425 7.749 -1.212
8 HD11 LEU 1 HD11 LEU 1 -10.835 5.838 -2.518
9 HD12 LEU 1 HD12 LEU 1 -10.882 4.794 -1.098
10 HD13 LEU 1 HD13 LEU 1 -9.643 6.042 -1.233
11 HD21 LEU 1 HD21 LEU 1 -13.269 6.462 -2.049
12 HD22 LEU 1 HD22 LEU 1 -13.694 7.126 -0.472
13 HD23 LEU 1 HD23 LEU 1 -13.249 5.427 -0.622
14 H VAL 2 HN VAL 2 -9.083 4.813 2.837
15 HA VAL 2 HA VAL 2 -9.363 6.639 5.082
16 HB VAL 2 HB VAL 2 -8.877 4.690 6.707
17 HG11 VAL 2 HG11 VAL 2 -11.275 4.329 7.059
18 HG12 VAL 2 HG12 VAL 2 -11.604 5.042 5.479
19 HG13 VAL 2 HG13 VAL 2 -10.894 6.023 6.761
20 HG21 VAL 2 HG21 VAL 2 -10.113 3.148 4.420
21 HG22 VAL 2 HG22 VAL 2 -10.008 2.558 6.079
22 HG23 VAL 2 HG23 VAL 2 -8.537 2.870 5.160
23 H PHE 3 HN PHE 3 -7.381 3.765 4.202
24 HA PHE 3 HA PHE 3 -5.001 5.448 4.183
25 HB2 PHE 3 HB2 PHE 3 -5.332 3.089 6.048
26 HB3 PHE 3 HB1 PHE 3 -3.763 3.763 5.625
27 HD1 PHE 3 HD1 PHE 3 -3.148 6.027 6.366
28 HD2 PHE 3 HD2 PHE 3 -6.782 4.181 7.590
29 HE1 PHE 3 HE1 PHE 3 -3.367 7.671 8.184
30 HE2 PHE 3 HE2 PHE 3 -7.009 5.823 9.408
31 HZ PHE 3 HZ PHE 3 -5.300 7.570 9.708
32 H PHE 4 HN PHE 4 -6.063 2.024 3.975
33 HA PHE 4 HA PHE 4 -3.952 1.184 2.317
34 HB2 PHE 4 HB2 PHE 4 -5.382 -0.815 1.832
35 HB3 PHE 4 HB1 PHE 4 -5.144 -0.482 3.539
36 HD1 PHE 4 HD1 PHE 4 -6.993 0.235 4.934
37 HD2 PHE 4 HD2 PHE 4 -7.552 -0.584 0.797
38 HE1 PHE 4 HE1 PHE 4 -9.427 0.154 5.283
39 HE2 PHE 4 HE2 PHE 4 -9.987 -0.663 1.136
40 HZ PHE 4 HZ PHE 4 -10.928 -0.294 3.381
41 H ALA 5 HN ALA 5 -7.241 2.234 1.476
42 HA ALA 5 HA ALA 5 -7.292 1.710 -1.241
43 HB1 ALA 5 HB1 ALA 5 -8.520 4.081 0.148
44 HB2 ALA 5 HB2 ALA 5 -9.222 2.466 0.058
45 HB3 ALA 5 HB3 ALA 5 -9.004 3.417 -1.411
46 H GLU 6 HN GLU 6 -5.648 4.305 0.425
47 HA GLU 6 HA GLU 6 -4.870 5.525 -2.122
48 HB2 GLU 6 HB2 GLU 6 -3.939 7.373 -0.678
49 HB3 GLU 6 HB1 GLU 6 -5.681 7.180 -0.617
50 HG2 GLU 6 HG2 GLU 6 -5.463 6.011 1.534
51 HG3 GLU 6 HG1 GLU 6 -3.717 6.239 1.470
52 H ASP 7 HN ASP 7 -3.518 4.037 0.794
53 HA ASP 7 HA ASP 7 -0.789 4.359 0.052
54 HB2 ASP 7 HB2 ASP 7 -2.210 2.747 2.135
55 HB3 ASP 7 HB1 ASP 7 -0.496 2.479 1.831
56 H VAL 8 HN VAL 8 -3.169 2.124 -1.045
57 HA VAL 8 HA VAL 8 -1.727 -0.216 -1.484
58 HB VAL 8 HB VAL 8 -3.254 -0.479 -3.582
59 HG11 VAL 8 HG11 VAL 8 -3.544 -1.714 -1.537
60 HG12 VAL 8 HG12 VAL 8 -5.114 -1.161 -2.124
61 HG13 VAL 8 HG13 VAL 8 -4.334 -0.333 -0.776
62 HG21 VAL 8 HG21 VAL 8 -5.318 0.849 -3.476
63 HG22 VAL 8 HG22 VAL 8 -3.912 1.854 -3.823
64 HG23 VAL 8 HG23 VAL 8 -4.608 1.844 -2.204
65 H GLY 9 HN GLY 9 -1.229 2.790 -3.068
66 HA2 GLY 9 HA2 GLY 9 -0.201 1.845 -5.555
67 HA3 GLY 9 HA1 GLY 9 0.054 3.440 -4.869
68 H SER 10 HN SER 10 1.191 2.167 -2.386
69 HA SER 10 HA SER 10 3.718 1.070 -3.377
70 HB2 SER 10 HB2 SER 10 3.472 3.509 -1.594
71 HB3 SER 10 HB1 SER 10 4.979 2.635 -1.851
72 HG SER 10 HG SER 10 4.631 3.070 -4.144
73 H ASN 11 HN ASN 11 1.774 1.953 -0.554
74 HA ASN 11 HA ASN 11 1.668 1.197 1.586
75 HB2 ASN 11 HB2 ASN 11 0.798 -1.112 1.717
76 HB3 ASN 11 HB1 ASN 11 0.054 -0.184 0.425
77 HD21 ASN 11 HD21 ASN 11 2.163 -2.821 1.220
78 HD22 ASN 11 HD22 ASN 11 2.211 -3.529 -0.355
79 H LYS 12 HN LYS 12 2.229 -1.168 2.882
80 HA LYS 12 HA LYS 12 4.710 -0.818 3.974
81 HB2 LYS 12 HB2 LYS 12 2.668 -2.441 4.534
82 HB3 LYS 12 HB1 LYS 12 3.727 -3.621 3.778
83 HG2 LYS 12 HG2 LYS 12 4.335 -3.839 5.977
84 HG3 LYS 12 HG1 LYS 12 5.507 -2.640 5.434
85 HD2 LYS 12 HD2 LYS 12 4.063 -0.851 6.313
86 HD3 LYS 12 HD1 LYS 12 2.916 -2.068 6.877
87 HE2 LYS 12 HE2 LYS 12 4.611 -2.999 8.357
88 HE3 LYS 12 HE1 LYS 12 5.788 -1.827 7.766
89 HZ1 LYS 12 HZ1 LYS 12 4.413 -0.051 8.656
90 HZ2 LYS 12 HZ2 LYS 12 4.840 -1.140 9.877
91 HZ3 LYS 12 HZ3 LYS 12 3.282 -1.174 9.221
92 H GLY 13 HN GLY 13 3.843 -3.030 1.342
93 HA2 GLY 13 HA2 GLY 13 6.210 -4.375 0.907
94 HA3 GLY 13 HA1 GLY 13 5.032 -4.016 -0.340
95 H ALA 14 HN ALA 14 5.270 -1.222 -0.547
96 HA ALA 14 HA ALA 14 7.889 -1.078 -1.816
97 HB1 ALA 14 HB1 ALA 14 6.909 1.242 -2.529
98 HB2 ALA 14 HB2 ALA 14 5.387 0.500 -2.037
99 HB3 ALA 14 HB3 ALA 14 6.361 -0.248 -3.299
100 H ILE 15 HN ILE 15 6.080 0.635 0.777
101 HA ILE 15 HA ILE 15 8.098 2.592 1.189
102 HB ILE 15 HB ILE 15 7.063 3.153 3.323
103 HG12 ILE 15 HG12 ILE 15 4.849 1.193 2.973
104 HG13 ILE 15 HG11 ILE 15 6.362 0.584 3.639
105 HG21 ILE 15 HG21 ILE 15 6.145 4.103 1.302
106 HG22 ILE 15 HG22 ILE 15 4.852 3.801 2.463
107 HG23 ILE 15 HG23 ILE 15 5.081 2.711 1.096
108 HD11 ILE 15 HD11 ILE 15 4.684 2.820 4.761
109 HD12 ILE 15 HD12 ILE 15 6.230 2.277 5.417
110 HD13 ILE 15 HD13 ILE 15 4.842 1.188 5.414
111 H ILE 16 HN ILE 16 7.846 -0.715 2.335
112 HA ILE 16 HA ILE 16 9.973 -0.294 4.277
113 HB ILE 16 HB ILE 16 7.984 -1.935 4.587
114 HG12 ILE 16 HG12 ILE 16 9.677 -3.622 5.730
115 HG13 ILE 16 HG11 ILE 16 10.843 -2.370 5.318
116 HG21 ILE 16 HG21 ILE 16 9.802 -3.737 2.996
117 HG22 ILE 16 HG22 ILE 16 8.182 -3.213 2.537
118 HG23 ILE 16 HG23 ILE 16 8.406 -4.260 3.939
119 HD11 ILE 16 HD11 ILE 16 10.034 -2.090 7.582
120 HD12 ILE 16 HD12 ILE 16 8.372 -2.009 7.000
121 HD13 ILE 16 HD13 ILE 16 9.518 -0.738 6.574
122 H GLY 17 HN GLY 17 9.506 -1.755 1.107
123 HA2 GLY 17 HA2 GLY 17 12.127 -2.837 0.812
124 HA3 GLY 17 HA1 GLY 17 10.962 -2.573 -0.473
125 H LEU 18 HN LEU 18 10.665 0.266 -0.055
126 HA LEU 18 HA LEU 18 11.490 2.251 -0.763
127 HB2 LEU 18 HB2 LEU 18 13.109 1.716 1.190
128 HB3 LEU 18 HB1 LEU 18 14.282 1.374 -0.065
129 HG LEU 18 HG LEU 18 13.646 3.788 -0.905
130 HD11 LEU 18 HD11 LEU 18 11.826 4.156 0.668
131 HD12 LEU 18 HD12 LEU 18 13.132 5.308 0.946
132 HD13 LEU 18 HD13 LEU 18 12.930 3.925 2.023
133 HD21 LEU 18 HD21 LEU 18 15.373 3.275 1.513
134 HD22 LEU 18 HD22 LEU 18 15.457 4.698 0.475
135 HD23 LEU 18 HD23 LEU 18 15.860 3.109 -0.174