Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
550513 | 2lq1 RC | 18286 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 H THR 1 1.806 0.001 0.856
2 HA THR 1 HA THR 1 2.624 0.939 -1.306
3 HB THR 1 HB THR 1 2.603 -2.079 -1.383
4 HG1 THR 1 HG1 THR 1 4.710 -1.584 -0.174
5 HG21 THR 1 3HG2 THR 1 5.092 -1.224 -2.104
6 HG22 THR 1 1HG2 THR 1 4.071 0.051 -2.769
7 HG23 THR 1 2HG2 THR 1 3.802 -1.629 -3.235
8 H GLY 2 H GLY 2 0.185 -1.637 -1.575
9 HA2 GLY 2 2HA GLY 2 -0.118 -1.516 -4.370
10 HA3 GLY 2 3HA GLY 2 -1.311 -2.139 -3.240
11 H ASN 3 H ASN 3 -1.245 0.588 -1.881
12 HA ASN 3 HA ASN 3 -2.994 1.946 -3.825
13 HB2 ASN 3 2HB ASN 3 -3.149 1.863 -0.806
14 HB3 ASN 3 3HB ASN 3 -4.132 2.924 -1.811
15 HD21 ASN 3 1HD2 ASN 3 -5.578 1.425 -0.310
16 HD22 ASN 3 2HD2 ASN 3 -6.245 0.064 -1.139
17 H VAL 4 H VAL 4 -0.052 2.127 -2.325
18 HA VAL 4 HA VAL 4 -0.034 5.036 -2.057
19 HB VAL 4 HB VAL 4 2.248 3.127 -1.550
20 HG11 VAL 4 1HG1 VAL 4 2.703 5.176 0.084
21 HG12 VAL 4 2HG1 VAL 4 3.268 5.160 -1.587
22 HG13 VAL 4 3HG1 VAL 4 1.795 6.031 -1.162
23 HG21 VAL 4 3HG2 VAL 4 1.561 3.550 0.895
24 HG22 VAL 4 1HG2 VAL 4 -0.004 4.009 0.222
25 HG23 VAL 4 2HG2 VAL 4 0.629 2.384 -0.045
26 H GLY 5 H GLY 5 0.599 2.698 -4.396
27 HA2 GLY 5 2HA GLY 5 2.475 4.482 -5.814
28 HA3 GLY 5 3HA GLY 5 2.353 2.750 -6.080
29 H LEU 6 H LEU 6 -0.380 4.942 -5.773
30 HA LEU 6 HA LEU 6 -1.326 4.086 -8.383
31 HB2 LEU 6 2HB LEU 6 -2.501 5.322 -5.981
32 HB3 LEU 6 3HB LEU 6 -3.207 5.820 -7.517
33 HG LEU 6 HG LEU 6 -4.415 3.959 -6.408
34 HD11 LEU 6 1HD1 LEU 6 -3.521 4.128 -9.123
35 HD12 LEU 6 2HD1 LEU 6 -5.070 3.574 -8.489
36 HD13 LEU 6 3HD1 LEU 6 -3.733 2.438 -8.666
37 HD21 LEU 6 3HD2 LEU 6 -3.476 1.812 -6.178
38 HD22 LEU 6 1HD2 LEU 6 -2.277 2.922 -5.513
39 HD23 LEU 6 2HD2 LEU 6 -2.052 2.244 -7.125
40 H SER 7 H SER 7 -1.517 7.293 -6.865
41 HA SER 7 HA SER 7 -1.368 8.639 -9.360
42 HB2 SER 7 2HB SER 7 -0.662 10.359 -7.155
43 HB3 SER 7 3HB SER 7 -2.130 10.353 -8.133
44 HG SER 7 HG SER 7 -2.916 8.680 -6.755
45 HA PRO 8 HA PRO 8 3.102 9.831 -7.945
46 HB2 PRO 8 2HB PRO 8 4.141 8.455 -5.849
47 HB3 PRO 8 3HB PRO 8 3.226 9.954 -5.654
48 HG2 PRO 8 2HG PRO 8 2.315 7.122 -5.322
49 HG3 PRO 8 3HG PRO 8 1.970 8.535 -4.307
50 HD2 PRO 8 2HD PRO 8 0.203 7.579 -6.123
51 HD3 PRO 8 3HD PRO 8 0.320 9.304 -5.720
52 H GLY 9 H GLY 9 1.795 6.768 -8.406
53 HA2 GLY 9 2HA GLY 9 4.411 5.649 -9.193
54 HA3 GLY 9 3HA GLY 9 3.009 4.687 -8.748
55 H LEU 10 H LEU 10 1.241 6.514 -10.329
56 HA LEU 10 HA LEU 10 1.455 5.087 -12.813
57 HB2 LEU 10 2HB LEU 10 -0.726 5.490 -11.923
58 HB3 LEU 10 3HB LEU 10 -0.427 7.224 -11.838
59 HG LEU 10 HG LEU 10 -0.175 6.207 -14.545
60 HD11 LEU 10 1HD1 LEU 10 -2.423 5.584 -14.953
61 HD12 LEU 10 2HD1 LEU 10 -2.913 6.013 -13.314
62 HD13 LEU 10 3HD1 LEU 10 -1.873 4.615 -13.586
63 HD21 LEU 10 3HD2 LEU 10 -0.416 8.471 -14.477
64 HD22 LEU 10 1HD2 LEU 10 -1.485 8.428 -13.074
65 HD23 LEU 10 2HD2 LEU 10 -2.110 8.015 -14.671
66 H SER 11 H SER 11 1.912 8.424 -11.743
67 HA SER 11 HA SER 11 2.512 9.380 -14.390
68 HB2 SER 11 2HB SER 11 1.493 10.784 -12.551
69 HB3 SER 11 3HB SER 11 3.072 10.775 -11.766
70 HG SER 11 HG SER 11 2.972 12.601 -13.015
71 H THR 12 H THR 12 4.253 7.876 -11.861
72 HA THR 12 HA THR 12 6.838 8.896 -12.693
73 HB THR 12 HB THR 12 6.129 6.780 -10.652
74 HG1 THR 12 HG1 THR 12 5.593 9.133 -10.317
75 HG21 THR 12 3HG2 THR 12 8.333 6.296 -11.312
76 HG22 THR 12 1HG2 THR 12 8.511 7.296 -9.870
77 HG23 THR 12 2HG2 THR 12 8.752 8.002 -11.468
78 H ALA 13 H ALA 13 4.786 6.215 -13.361
79 HA ALA 13 HA ALA 13 6.952 4.615 -14.481
80 HB1 ALA 13 1HB ALA 13 4.935 3.081 -15.046
81 HB2 ALA 13 2HB ALA 13 5.477 3.224 -13.373
82 HB3 ALA 13 3HB ALA 13 4.059 4.118 -13.920
83 H LEU 14 H LEU 14 4.188 6.530 -15.504
84 HA LEU 14 HA LEU 14 4.380 5.780 -18.264
85 HB2 LEU 14 2HB LEU 14 2.633 7.352 -16.606
86 HB3 LEU 14 3HB LEU 14 3.043 8.238 -18.073
87 HG LEU 14 HG LEU 14 0.966 7.022 -18.360
88 HD11 LEU 14 1HD1 LEU 14 1.644 6.922 -20.471
89 HD12 LEU 14 2HD1 LEU 14 2.209 5.284 -20.144
90 HD13 LEU 14 3HD1 LEU 14 3.318 6.646 -19.986
91 HD21 LEU 14 3HD2 LEU 14 1.481 4.381 -18.526
92 HD22 LEU 14 1HD2 LEU 14 0.820 5.166 -17.092
93 HD23 LEU 14 2HD2 LEU 14 2.548 4.828 -17.194
94 H THR 15 H THR 15 6.157 7.830 -16.274
95 HA THR 15 HA THR 15 6.955 9.595 -18.471
96 HB THR 15 HB THR 15 7.641 9.714 -15.528
97 HG1 THR 15 HG1 THR 15 6.312 11.727 -15.849
98 HG21 THR 15 3HG2 THR 15 9.288 11.108 -16.080
99 HG22 THR 15 1HG2 THR 15 8.103 12.181 -16.821
100 HG23 THR 15 2HG2 THR 15 8.895 10.939 -17.791
101 H GLY 16 H GLY 16 8.208 7.119 -16.309
102 HA2 GLY 16 2HA GLY 16 10.831 7.303 -17.633
103 HA3 GLY 16 3HA GLY 16 10.520 6.510 -16.096
104 H PHE 17 H PHE 17 7.990 5.549 -17.809
105 HA PHE 17 HA PHE 17 8.360 2.947 -18.003
106 HB2 PHE 17 2HB PHE 17 6.960 2.866 -20.024
107 HB3 PHE 17 3HB PHE 17 6.349 4.045 -18.867
108 HD1 PHE 17 HD2 PHE 17 7.513 6.478 -19.247
109 HD2 PHE 17 HD1 PHE 17 6.855 3.498 -22.214
110 HE1 PHE 17 HE2 PHE 17 7.553 8.211 -20.993
111 HE2 PHE 17 HE1 PHE 17 6.895 5.227 -23.965
112 HZ PHE 17 HZ PHE 17 7.243 7.587 -23.355
113 H THR 18 H THR 18 9.481 5.112 -20.604
114 HA THR 18 HA THR 18 11.393 3.012 -21.396
115 HB THR 18 HB THR 18 10.322 5.206 -23.175
116 HG1 THR 18 HG1 THR 18 8.929 3.661 -23.997
117 HG21 THR 18 3HG2 THR 18 12.455 4.398 -23.925
118 HG22 THR 18 1HG2 THR 18 11.212 3.713 -24.971
119 HG23 THR 18 2HG2 THR 18 11.950 2.722 -23.711
120 H LEU 19 H LEU 19 11.043 6.141 -20.147
121 HA LEU 19 HA LEU 19 13.563 7.167 -21.114
122 HB2 LEU 19 2HB LEU 19 11.378 8.154 -19.358
123 HB3 LEU 19 3HB LEU 19 12.971 8.888 -19.191
124 HG LEU 19 HG LEU 19 11.624 10.242 -20.647
125 HD11 LEU 19 1HD1 LEU 19 14.092 9.076 -21.391
126 HD12 LEU 19 2HD1 LEU 19 13.447 10.655 -21.834
127 HD13 LEU 19 3HD1 LEU 19 13.121 9.253 -22.852
128 HD21 LEU 19 3HD2 LEU 19 11.382 8.079 -22.678
129 HD22 LEU 19 1HD2 LEU 19 10.367 9.496 -22.408
130 HD23 LEU 19 2HD2 LEU 19 10.246 8.106 -21.328
131 H VAL 20 H VAL 20 12.553 5.132 -18.606
132 HA VAL 20 HA VAL 20 14.560 5.821 -16.679
133 HB VAL 20 HB VAL 20 12.675 3.498 -16.966
134 HG11 VAL 20 1HG1 VAL 20 14.359 2.300 -15.995
135 HG12 VAL 20 2HG1 VAL 20 15.088 3.721 -15.245
136 HG13 VAL 20 3HG1 VAL 20 13.633 3.006 -14.552
137 HG21 VAL 20 3HG2 VAL 20 12.570 6.039 -15.726
138 HG22 VAL 20 1HG2 VAL 20 11.360 4.756 -15.694
139 HG23 VAL 20 2HG2 VAL 20 12.604 4.827 -14.445
140 HA PRO 21 HA PRO 21 16.683 1.820 -18.392
141 HB2 PRO 21 2HB PRO 21 15.761 0.859 -20.757
142 HB3 PRO 21 3HB PRO 21 15.115 0.344 -19.194
143 HG2 PRO 21 2HG PRO 21 14.022 2.353 -21.127
144 HG3 PRO 21 3HG PRO 21 13.164 1.101 -20.209
145 HD2 PRO 21 2HD PRO 21 13.197 3.699 -19.449
146 HD3 PRO 21 3HD PRO 21 13.124 2.363 -18.282
147 H VAL 22 H VAL 22 15.593 4.396 -20.451
148 HA VAL 22 HA VAL 22 18.008 4.220 -22.103
149 HB VAL 22 HB VAL 22 15.635 6.062 -22.426
150 HG11 VAL 22 1HG1 VAL 22 16.874 5.761 -24.867
151 HG12 VAL 22 2HG1 VAL 22 17.028 7.150 -23.791
152 HG13 VAL 22 3HG1 VAL 22 18.224 5.855 -23.738
153 HG21 VAL 22 3HG2 VAL 22 14.846 4.583 -24.139
154 HG22 VAL 22 1HG2 VAL 22 16.273 3.559 -23.979
155 HG23 VAL 22 2HG2 VAL 22 15.093 3.638 -22.671
156 H GLU 23 H GLU 23 16.846 5.792 -19.362
157 HA GLU 23 HA GLU 23 17.881 8.373 -19.595
158 HB2 GLU 23 2HB GLU 23 16.755 8.376 -17.654
159 HB3 GLU 23 3HB GLU 23 16.947 6.640 -17.448
160 HG2 GLU 23 2HG GLU 23 19.114 6.941 -16.461
161 HG3 GLU 23 3HG GLU 23 19.070 8.671 -16.799
162 H ASP 24 H ASP 24 19.485 5.359 -19.254
163 HA ASP 24 HA ASP 24 21.997 6.673 -18.493
164 HB2 ASP 24 2HB ASP 24 21.133 4.604 -17.260
165 HB3 ASP 24 3HB ASP 24 21.544 3.700 -18.716
166 H HIS 25 H HIS 25 20.338 5.751 -21.207
167 HA HIS 25 HA HIS 25 22.811 5.256 -22.728
168 HB2 HIS 25 2HB HIS 25 20.841 3.544 -22.698
169 HB3 HIS 25 3HB HIS 25 20.072 4.675 -23.808
170 HD1 HIS 25 HD1 HIS 25 21.270 5.033 -26.131
171 HD2 HIS 25 HD2 HIS 25 22.811 1.959 -23.799
172 HE1 HIS 25 HE1 HIS 25 22.690 3.658 -27.685
Start of MODEL 2
1 H1 THR 1 H THR 1 2.252 -0.124 0.351
2 HA THR 1 HA THR 1 2.654 0.806 -1.862
3 HB THR 1 HB THR 1 2.540 -2.051 -2.609
4 HG1 THR 1 HG1 THR 1 4.411 -1.344 -0.625
5 HG21 THR 1 3HG2 THR 1 4.524 -1.597 -3.634
6 HG22 THR 1 1HG2 THR 1 5.061 -0.506 -2.357
7 HG23 THR 1 2HG2 THR 1 3.892 0.047 -3.555
8 H GLY 2 H GLY 2 -0.030 -1.472 -1.646
9 HA2 GLY 2 2HA GLY 2 -0.878 -1.457 -4.300
10 HA3 GLY 2 3HA GLY 2 -1.931 -1.696 -2.913
11 H ASN 3 H ASN 3 -1.616 0.826 -1.697
12 HA ASN 3 HA ASN 3 -3.017 2.512 -3.661
13 HB2 ASN 3 2HB ASN 3 -3.192 2.469 -0.640
14 HB3 ASN 3 3HB ASN 3 -4.011 3.642 -1.667
15 HD21 ASN 3 1HD2 ASN 3 -5.590 2.843 -3.178
16 HD22 ASN 3 2HD2 ASN 3 -6.473 1.404 -2.810
17 H VAL 4 H VAL 4 -0.098 2.178 -2.140
18 HA VAL 4 HA VAL 4 0.416 5.032 -1.821
19 HB VAL 4 HB VAL 4 2.351 2.753 -1.405
20 HG11 VAL 4 1HG1 VAL 4 2.440 5.671 -1.045
21 HG12 VAL 4 2HG1 VAL 4 3.084 4.723 0.297
22 HG13 VAL 4 3HG1 VAL 4 3.746 4.519 -1.326
23 HG21 VAL 4 3HG2 VAL 4 1.613 3.624 1.091
24 HG22 VAL 4 1HG2 VAL 4 0.087 3.641 0.207
25 HG23 VAL 4 2HG2 VAL 4 1.033 2.156 0.304
26 H GLY 5 H GLY 5 0.617 2.692 -4.233
27 HA2 GLY 5 2HA GLY 5 2.643 4.286 -5.681
28 HA3 GLY 5 3HA GLY 5 2.466 2.549 -5.876
29 H LEU 6 H LEU 6 -0.304 4.648 -5.597
30 HA LEU 6 HA LEU 6 -1.204 3.802 -8.216
31 HB2 LEU 6 2HB LEU 6 -2.779 3.792 -6.380
32 HB3 LEU 6 3HB LEU 6 -2.501 5.509 -6.097
33 HG LEU 6 HG LEU 6 -3.378 5.108 -8.798
34 HD11 LEU 6 1HD1 LEU 6 -4.378 3.042 -7.883
35 HD12 LEU 6 2HD1 LEU 6 -5.581 4.215 -8.417
36 HD13 LEU 6 3HD1 LEU 6 -5.244 4.019 -6.697
37 HD21 LEU 6 3HD2 LEU 6 -4.830 6.841 -8.290
38 HD22 LEU 6 1HD2 LEU 6 -3.497 7.115 -7.167
39 HD23 LEU 6 2HD2 LEU 6 -4.984 6.354 -6.601
40 H SER 7 H SER 7 -1.422 7.012 -6.703
41 HA SER 7 HA SER 7 -1.310 8.357 -9.201
42 HB2 SER 7 2HB SER 7 -0.620 10.184 -7.158
43 HB3 SER 7 3HB SER 7 -2.200 9.952 -7.905
44 HG SER 7 HG SER 7 -2.175 9.690 -5.588
45 HA PRO 8 HA PRO 8 3.168 9.581 -7.841
46 HB2 PRO 8 2HB PRO 8 4.242 8.213 -5.756
47 HB3 PRO 8 3HB PRO 8 3.319 9.706 -5.552
48 HG2 PRO 8 2HG PRO 8 2.431 6.868 -5.207
49 HG3 PRO 8 3HG PRO 8 2.089 8.279 -4.189
50 HD2 PRO 8 2HD PRO 8 0.307 7.310 -5.982
51 HD3 PRO 8 3HD PRO 8 0.416 9.036 -5.582
52 H GLY 9 H GLY 9 1.875 6.510 -8.288
53 HA2 GLY 9 2HA GLY 9 4.490 5.410 -9.106
54 HA3 GLY 9 3HA GLY 9 3.103 4.437 -8.641
55 H LEU 10 H LEU 10 1.304 6.258 -10.202
56 HA LEU 10 HA LEU 10 1.491 4.826 -12.686
57 HB2 LEU 10 2HB LEU 10 -0.680 5.219 -11.763
58 HB3 LEU 10 3HB LEU 10 -0.390 6.956 -11.691
59 HG LEU 10 HG LEU 10 -0.214 5.823 -14.389
60 HD11 LEU 10 1HD1 LEU 10 -2.116 4.585 -13.038
61 HD12 LEU 10 2HD1 LEU 10 -2.360 5.121 -14.700
62 HD13 LEU 10 3HD1 LEU 10 -2.989 6.083 -13.362
63 HD21 LEU 10 3HD2 LEU 10 -0.201 8.129 -14.323
64 HD22 LEU 10 1HD2 LEU 10 -1.391 8.205 -13.023
65 HD23 LEU 10 2HD2 LEU 10 -1.899 7.788 -14.660
66 H SER 11 H SER 11 1.939 8.169 -11.629
67 HA SER 11 HA SER 11 2.501 9.120 -14.285
68 HB2 SER 11 2HB SER 11 1.518 10.466 -12.312
69 HB3 SER 11 3HB SER 11 3.184 10.591 -11.747
70 HG SER 11 HG SER 11 2.500 11.276 -14.394
71 H THR 12 H THR 12 4.280 7.637 -11.772
72 HA THR 12 HA THR 12 6.849 8.676 -12.633
73 HB THR 12 HB THR 12 6.178 6.558 -10.580
74 HG1 THR 12 HG1 THR 12 6.995 9.275 -10.279
75 HG21 THR 12 3HG2 THR 12 8.540 6.996 -9.821
76 HG22 THR 12 1HG2 THR 12 8.793 7.853 -11.341
77 HG23 THR 12 2HG2 THR 12 8.393 6.135 -11.353
78 H ALA 13 H ALA 13 4.811 5.976 -13.273
79 HA ALA 13 HA ALA 13 6.978 4.392 -14.414
80 HB1 ALA 13 1HB ALA 13 5.558 2.954 -13.329
81 HB2 ALA 13 2HB ALA 13 4.117 3.877 -13.760
82 HB3 ALA 13 3HB ALA 13 4.916 2.872 -14.969
83 H LEU 14 H LEU 14 4.186 6.280 -15.411
84 HA LEU 14 HA LEU 14 4.355 5.526 -18.171
85 HB2 LEU 14 2HB LEU 14 2.612 7.084 -16.498
86 HB3 LEU 14 3HB LEU 14 3.001 7.975 -17.968
87 HG LEU 14 HG LEU 14 0.920 6.716 -18.194
88 HD11 LEU 14 1HD1 LEU 14 1.934 5.145 -20.139
89 HD12 LEU 14 2HD1 LEU 14 3.281 6.254 -19.886
90 HD13 LEU 14 3HD1 LEU 14 1.687 6.884 -20.301
91 HD21 LEU 14 3HD2 LEU 14 2.510 4.626 -16.987
92 HD22 LEU 14 1HD2 LEU 14 1.741 4.076 -18.476
93 HD23 LEU 14 2HD2 LEU 14 0.759 4.747 -17.173
94 H THR 15 H THR 15 6.139 7.592 -16.206
95 HA THR 15 HA THR 15 6.898 9.362 -18.414
96 HB THR 15 HB THR 15 7.613 9.487 -15.478
97 HG1 THR 15 HG1 THR 15 6.070 11.386 -16.885
98 HG21 THR 15 3HG2 THR 15 8.838 10.719 -17.756
99 HG22 THR 15 1HG2 THR 15 9.256 10.878 -16.050
100 HG23 THR 15 2HG2 THR 15 8.058 11.955 -16.769
101 H GLY 16 H GLY 16 8.197 6.898 -16.264
102 HA2 GLY 16 2HA GLY 16 10.800 7.100 -17.622
103 HA3 GLY 16 3HA GLY 16 10.516 6.307 -16.079
104 H PHE 17 H PHE 17 7.971 5.323 -17.757
105 HA PHE 17 HA PHE 17 8.359 2.724 -17.950
106 HB2 PHE 17 2HB PHE 17 6.932 2.626 -19.951
107 HB3 PHE 17 3HB PHE 17 6.328 3.804 -18.789
108 HD1 PHE 17 HD2 PHE 17 7.470 6.244 -19.193
109 HD2 PHE 17 HD1 PHE 17 6.791 3.251 -22.141
110 HE1 PHE 17 HE2 PHE 17 7.474 7.973 -20.943
111 HE2 PHE 17 HE1 PHE 17 6.795 4.975 -23.897
112 HZ PHE 17 HZ PHE 17 7.135 7.339 -23.299
113 H THR 18 H THR 18 9.431 4.892 -20.567
114 HA THR 18 HA THR 18 11.349 2.806 -21.381
115 HB THR 18 HB THR 18 10.236 4.987 -23.152
116 HG1 THR 18 HG1 THR 18 9.454 2.263 -22.847
117 HG21 THR 18 3HG2 THR 18 11.114 3.497 -24.954
118 HG22 THR 18 1HG2 THR 18 11.872 2.511 -23.704
119 HG23 THR 18 2HG2 THR 18 12.368 4.189 -23.925
120 H LEU 19 H LEU 19 10.987 5.937 -20.139
121 HA LEU 19 HA LEU 19 13.487 6.980 -21.141
122 HB2 LEU 19 2HB LEU 19 11.318 7.955 -19.358
123 HB3 LEU 19 3HB LEU 19 12.906 8.705 -19.220
124 HG LEU 19 HG LEU 19 11.520 10.037 -20.661
125 HD11 LEU 19 1HD1 LEU 19 13.991 8.892 -21.437
126 HD12 LEU 19 2HD1 LEU 19 13.327 10.468 -21.865
127 HD13 LEU 19 3HD1 LEU 19 12.998 9.066 -22.884
128 HD21 LEU 19 3HD2 LEU 19 10.254 9.267 -22.408
129 HD22 LEU 19 1HD2 LEU 19 10.158 7.887 -21.315
130 HD23 LEU 19 2HD2 LEU 19 11.279 7.857 -22.676
131 H VAL 20 H VAL 20 12.524 4.947 -18.612
132 HA VAL 20 HA VAL 20 14.550 5.659 -16.714
133 HB VAL 20 HB VAL 20 12.674 3.327 -16.967
134 HG11 VAL 20 1HG1 VAL 20 15.033 3.617 -15.141
135 HG12 VAL 20 2HG1 VAL 20 13.612 2.690 -14.658
136 HG13 VAL 20 3HG1 VAL 20 14.528 2.220 -16.090
137 HG21 VAL 20 3HG2 VAL 20 12.569 5.866 -15.739
138 HG22 VAL 20 1HG2 VAL 20 11.379 4.566 -15.657
139 HG23 VAL 20 2HG2 VAL 20 12.657 4.669 -14.446
140 HA PRO 21 HA PRO 21 16.683 1.668 -18.436
141 HB2 PRO 21 2HB PRO 21 15.736 0.686 -20.783
142 HB3 PRO 21 3HB PRO 21 15.117 0.175 -19.209
143 HG2 PRO 21 2HG PRO 21 13.981 2.164 -21.137
144 HG3 PRO 21 3HG PRO 21 13.146 0.910 -20.201
145 HD2 PRO 21 2HD PRO 21 13.168 3.512 -19.455
146 HD3 PRO 21 3HD PRO 21 13.122 2.183 -18.280
147 H VAL 22 H VAL 22 15.546 4.226 -20.490
148 HA VAL 22 HA VAL 22 17.939 4.061 -22.175
149 HB VAL 22 HB VAL 22 15.544 5.879 -22.474
150 HG11 VAL 22 1HG1 VAL 22 16.499 5.959 -24.867
151 HG12 VAL 22 2HG1 VAL 22 17.290 6.916 -23.613
152 HG13 VAL 22 3HG1 VAL 22 17.992 5.382 -24.129
153 HG21 VAL 22 3HG2 VAL 22 15.023 3.451 -22.706
154 HG22 VAL 22 1HG2 VAL 22 14.751 4.389 -24.174
155 HG23 VAL 22 2HG2 VAL 22 16.188 3.376 -24.028
156 H GLU 23 H GLU 23 16.801 5.638 -19.427
157 HA GLU 23 HA GLU 23 17.810 8.225 -19.686
158 HB2 GLU 23 2HB GLU 23 16.715 8.228 -17.728
159 HB3 GLU 23 3HB GLU 23 16.923 6.495 -17.519
160 HG2 GLU 23 2HG GLU 23 19.103 6.816 -16.566
161 HG3 GLU 23 3HG GLU 23 19.039 8.544 -16.908
162 H ASP 24 H ASP 24 19.446 5.228 -19.358
163 HA ASP 24 HA ASP 24 21.959 6.571 -18.650
164 HB2 ASP 24 2HB ASP 24 21.150 4.526 -17.361
165 HB3 ASP 24 3HB ASP 24 21.505 3.593 -18.813
166 H HIS 25 H HIS 25 20.262 5.601 -21.322
167 HA HIS 25 HA HIS 25 20.776 5.194 -23.504
168 HB2 HIS 25 2HB HIS 25 21.972 7.433 -22.949
169 HB3 HIS 25 3HB HIS 25 23.450 6.479 -23.025
170 HD1 HIS 25 HD1 HIS 25 23.309 4.867 -25.435
171 HD2 HIS 25 HD2 HIS 25 21.597 8.651 -25.318
172 HE1 HIS 25 HE1 HIS 25 23.126 5.597 -27.834
Start of MODEL 3
1 H1 THR 1 H THR 1 1.259 0.009 -0.757
2 HA THR 1 HA THR 1 3.022 0.929 -2.572
3 HB THR 1 HB THR 1 3.146 -1.972 -3.169
4 HG1 THR 1 HG1 THR 1 4.907 -0.785 -1.269
5 HG21 THR 1 3HG2 THR 1 4.243 0.331 -4.214
6 HG22 THR 1 1HG2 THR 1 4.778 -1.314 -4.556
7 HG23 THR 1 2HG2 THR 1 5.578 -0.369 -3.299
8 H GLY 2 H GLY 2 0.588 -1.569 -2.071
9 HA2 GLY 2 2HA GLY 2 -0.423 -1.631 -4.709
10 HA3 GLY 2 3HA GLY 2 -1.290 -2.136 -3.265
11 H ASN 3 H ASN 3 -1.140 0.440 -1.957
12 HA ASN 3 HA ASN 3 -2.971 1.972 -3.685
13 HB2 ASN 3 2HB ASN 3 -3.940 0.766 -1.616
14 HB3 ASN 3 3HB ASN 3 -3.108 2.003 -0.678
15 HD21 ASN 3 1HD2 ASN 3 -5.308 1.661 -3.434
16 HD22 ASN 3 2HD2 ASN 3 -6.265 3.050 -3.063
17 H VAL 4 H VAL 4 -0.007 1.980 -2.212
18 HA VAL 4 HA VAL 4 0.017 4.858 -1.679
19 HB VAL 4 HB VAL 4 2.269 2.893 -1.257
20 HG11 VAL 4 1HG1 VAL 4 1.844 5.766 -0.700
21 HG12 VAL 4 2HG1 VAL 4 2.663 4.826 0.550
22 HG13 VAL 4 3HG1 VAL 4 3.325 4.890 -1.084
23 HG21 VAL 4 3HG2 VAL 4 -0.046 3.631 0.490
24 HG22 VAL 4 1HG2 VAL 4 0.644 2.042 0.159
25 HG23 VAL 4 2HG2 VAL 4 1.501 3.176 1.203
26 H GLY 5 H GLY 5 0.696 2.700 -4.172
27 HA2 GLY 5 2HA GLY 5 2.540 4.637 -5.430
28 HA3 GLY 5 3HA GLY 5 2.585 2.908 -5.741
29 H LEU 6 H LEU 6 -0.324 4.881 -5.514
30 HA LEU 6 HA LEU 6 -1.142 3.962 -8.136
31 HB2 LEU 6 2HB LEU 6 -2.717 4.013 -6.245
32 HB3 LEU 6 3HB LEU 6 -2.554 5.767 -6.176
33 HG LEU 6 HG LEU 6 -3.373 4.830 -8.805
34 HD11 LEU 6 1HD1 LEU 6 -4.884 3.949 -6.391
35 HD12 LEU 6 2HD1 LEU 6 -4.612 3.112 -7.919
36 HD13 LEU 6 3HD1 LEU 6 -5.768 4.442 -7.836
37 HD21 LEU 6 3HD2 LEU 6 -4.480 6.784 -8.802
38 HD22 LEU 6 1HD2 LEU 6 -3.497 7.137 -7.380
39 HD23 LEU 6 2HD2 LEU 6 -5.141 6.526 -7.187
40 H SER 7 H SER 7 -1.391 7.201 -6.681
41 HA SER 7 HA SER 7 -1.283 8.504 -9.201
42 HB2 SER 7 2HB SER 7 -0.590 10.358 -7.176
43 HB3 SER 7 3HB SER 7 -2.164 10.131 -7.939
44 HG SER 7 HG SER 7 -2.676 8.629 -6.342
45 HA PRO 8 HA PRO 8 3.194 9.757 -7.865
46 HB2 PRO 8 2HB PRO 8 4.270 8.428 -5.756
47 HB3 PRO 8 3HB PRO 8 3.345 9.923 -5.578
48 HG2 PRO 8 2HG PRO 8 2.461 7.091 -5.182
49 HG3 PRO 8 3HG PRO 8 2.117 8.519 -4.190
50 HD2 PRO 8 2HD PRO 8 0.336 7.516 -5.965
51 HD3 PRO 8 3HD PRO 8 0.443 9.249 -5.596
52 H GLY 9 H GLY 9 1.906 6.674 -8.250
53 HA2 GLY 9 2HA GLY 9 4.522 5.563 -9.050
54 HA3 GLY 9 3HA GLY 9 3.134 4.597 -8.570
55 H LEU 10 H LEU 10 1.336 6.388 -10.164
56 HA LEU 10 HA LEU 10 1.526 4.914 -12.622
57 HB2 LEU 10 2HB LEU 10 -0.642 5.346 -11.673
58 HB3 LEU 10 3HB LEU 10 -0.351 7.084 -11.704
59 HG LEU 10 HG LEU 10 -0.084 6.182 -14.359
60 HD11 LEU 10 1HD1 LEU 10 -1.362 4.173 -13.385
61 HD12 LEU 10 2HD1 LEU 10 -1.982 4.935 -14.849
62 HD13 LEU 10 3HD1 LEU 10 -2.732 5.280 -13.291
63 HD21 LEU 10 3HD2 LEU 10 -1.696 7.786 -14.795
64 HD22 LEU 10 1HD2 LEU 10 -1.002 8.346 -13.273
65 HD23 LEU 10 2HD2 LEU 10 -2.546 7.494 -13.277
66 H SER 11 H SER 11 1.965 8.278 -11.627
67 HA SER 11 HA SER 11 2.532 9.182 -14.298
68 HB2 SER 11 2HB SER 11 2.184 10.390 -11.662
69 HB3 SER 11 3HB SER 11 3.495 11.132 -12.578
70 HG SER 11 HG SER 11 1.141 11.850 -12.853
71 H THR 12 H THR 12 4.313 7.745 -11.757
72 HA THR 12 HA THR 12 6.882 8.763 -12.640
73 HB THR 12 HB THR 12 6.208 6.682 -10.551
74 HG1 THR 12 HG1 THR 12 6.798 9.458 -10.445
75 HG21 THR 12 3HG2 THR 12 8.799 7.809 -11.529
76 HG22 THR 12 1HG2 THR 12 8.391 6.149 -11.099
77 HG23 THR 12 2HG2 THR 12 8.629 7.355 -9.834
78 H ALA 13 H ALA 13 4.841 6.052 -13.230
79 HA ALA 13 HA ALA 13 7.004 4.448 -14.348
80 HB1 ALA 13 1HB ALA 13 4.163 3.951 -13.633
81 HB2 ALA 13 2HB ALA 13 4.895 2.950 -14.888
82 HB3 ALA 13 3HB ALA 13 5.605 3.000 -13.275
83 H LEU 14 H LEU 14 4.215 6.325 -15.373
84 HA LEU 14 HA LEU 14 4.377 5.524 -18.120
85 HB2 LEU 14 2HB LEU 14 2.639 7.109 -16.471
86 HB3 LEU 14 3HB LEU 14 3.031 7.982 -17.951
87 HG LEU 14 HG LEU 14 0.947 6.727 -18.164
88 HD11 LEU 14 1HD1 LEU 14 3.308 6.235 -19.847
89 HD12 LEU 14 2HD1 LEU 14 1.718 6.867 -20.272
90 HD13 LEU 14 3HD1 LEU 14 1.955 5.129 -20.089
91 HD21 LEU 14 3HD2 LEU 14 0.782 4.773 -17.114
92 HD22 LEU 14 1HD2 LEU 14 2.532 4.645 -16.933
93 HD23 LEU 14 2HD2 LEU 14 1.755 4.081 -18.413
94 H THR 15 H THR 15 6.168 7.620 -16.192
95 HA THR 15 HA THR 15 6.930 9.348 -18.432
96 HB THR 15 HB THR 15 7.644 9.526 -15.499
97 HG1 THR 15 HG1 THR 15 6.107 11.401 -16.945
98 HG21 THR 15 3HG2 THR 15 8.101 11.968 -16.825
99 HG22 THR 15 1HG2 THR 15 8.869 10.718 -17.803
100 HG23 THR 15 2HG2 THR 15 9.296 10.893 -16.101
101 H GLY 16 H GLY 16 8.222 6.918 -16.241
102 HA2 GLY 16 2HA GLY 16 10.827 7.091 -17.601
103 HA3 GLY 16 3HA GLY 16 10.541 6.326 -16.045
104 H PHE 17 H PHE 17 7.993 5.319 -17.707
105 HA PHE 17 HA PHE 17 8.375 2.716 -17.854
106 HB2 PHE 17 2HB PHE 17 6.950 2.588 -19.856
107 HB3 PHE 17 3HB PHE 17 6.348 3.785 -18.713
108 HD1 PHE 17 HD2 PHE 17 7.493 6.217 -19.154
109 HD2 PHE 17 HD1 PHE 17 6.812 3.178 -22.056
110 HE1 PHE 17 HE2 PHE 17 7.501 7.918 -20.932
111 HE2 PHE 17 HE1 PHE 17 6.820 4.874 -23.839
112 HZ PHE 17 HZ PHE 17 7.163 7.247 -23.278
113 H THR 18 H THR 18 9.451 4.834 -20.512
114 HA THR 18 HA THR 18 11.364 2.729 -21.288
115 HB THR 18 HB THR 18 10.258 4.884 -23.095
116 HG1 THR 18 HG1 THR 18 9.538 2.130 -23.055
117 HG21 THR 18 3HG2 THR 18 12.385 4.073 -23.857
118 HG22 THR 18 1HG2 THR 18 11.133 3.359 -24.872
119 HG23 THR 18 2HG2 THR 18 11.894 2.399 -23.603
120 H LEU 19 H LEU 19 11.013 5.881 -20.095
121 HA LEU 19 HA LEU 19 13.516 6.899 -21.114
122 HB2 LEU 19 2HB LEU 19 11.349 7.911 -19.350
123 HB3 LEU 19 3HB LEU 19 12.940 8.657 -19.221
124 HG LEU 19 HG LEU 19 11.563 9.972 -20.686
125 HD11 LEU 19 1HD1 LEU 19 14.033 8.827 -21.424
126 HD12 LEU 19 2HD1 LEU 19 13.354 10.375 -21.925
127 HD13 LEU 19 3HD1 LEU 19 13.048 8.926 -22.883
128 HD21 LEU 19 3HD2 LEU 19 11.309 7.749 -22.655
129 HD22 LEU 19 1HD2 LEU 19 10.302 9.179 -22.431
130 HD23 LEU 19 2HD2 LEU 19 10.180 7.829 -21.302
131 H VAL 20 H VAL 20 12.548 4.907 -18.556
132 HA VAL 20 HA VAL 20 14.574 5.645 -16.667
133 HB VAL 20 HB VAL 20 12.694 3.312 -16.883
134 HG11 VAL 20 1HG1 VAL 20 15.082 3.614 -15.112
135 HG12 VAL 20 2HG1 VAL 20 13.646 2.775 -14.524
136 HG13 VAL 20 3HG1 VAL 20 14.488 2.186 -15.958
137 HG21 VAL 20 3HG2 VAL 20 11.395 4.583 -15.607
138 HG22 VAL 20 1HG2 VAL 20 12.665 4.696 -14.389
139 HG23 VAL 20 2HG2 VAL 20 12.592 5.875 -15.698
140 HA PRO 21 HA PRO 21 16.695 1.620 -18.323
141 HB2 PRO 21 2HB PRO 21 15.747 0.606 -20.657
142 HB3 PRO 21 3HB PRO 21 15.124 0.121 -19.075
143 HG2 PRO 21 2HG PRO 21 13.998 2.084 -21.035
144 HG3 PRO 21 3HG PRO 21 13.157 0.847 -20.081
145 HD2 PRO 21 2HD PRO 21 13.187 3.461 -19.375
146 HD3 PRO 21 3HD PRO 21 13.135 2.150 -18.180
147 H VAL 22 H VAL 22 15.567 4.147 -20.423
148 HA VAL 22 HA VAL 22 17.959 3.947 -22.103
149 HB VAL 22 HB VAL 22 15.574 5.774 -22.425
150 HG11 VAL 22 1HG1 VAL 22 18.140 5.510 -23.807
151 HG12 VAL 22 2HG1 VAL 22 16.738 5.493 -24.878
152 HG13 VAL 22 3HG1 VAL 22 16.995 6.851 -23.782
153 HG21 VAL 22 3HG2 VAL 22 16.206 3.250 -23.948
154 HG22 VAL 22 1HG2 VAL 22 15.044 3.345 -22.625
155 HG23 VAL 22 2HG2 VAL 22 14.771 4.265 -24.104
156 H GLU 23 H GLU 23 16.828 5.574 -19.379
157 HA GLU 23 HA GLU 23 17.860 8.148 -19.678
158 HB2 GLU 23 2HB GLU 23 16.755 8.196 -17.726
159 HB3 GLU 23 3HB GLU 23 16.944 6.465 -17.487
160 HG2 GLU 23 2HG GLU 23 19.127 6.781 -16.533
161 HG3 GLU 23 3HG GLU 23 19.074 8.506 -16.895
162 H ASP 24 H ASP 24 19.467 5.144 -19.301
163 HA ASP 24 HA ASP 24 21.912 6.191 -18.225
164 HB2 ASP 24 2HB ASP 24 21.204 3.543 -19.495
165 HB3 ASP 24 3HB ASP 24 22.812 3.919 -18.881
166 H HIS 25 H HIS 25 20.480 6.485 -21.189
167 HA HIS 25 HA HIS 25 23.021 6.519 -22.659
168 HB2 HIS 25 2HB HIS 25 20.584 5.496 -23.384
169 HB3 HIS 25 3HB HIS 25 20.556 7.075 -24.161
170 HD1 HIS 25 HD1 HIS 25 21.412 6.991 -26.467
171 HD2 HIS 25 HD2 HIS 25 23.261 4.168 -24.044
172 HE1 HIS 25 HE1 HIS 25 23.015 5.765 -27.967
Start of MODEL 4
1 H1 THR 1 H THR 1 1.713 -0.369 -0.442
2 HA THR 1 HA THR 1 2.872 0.549 -2.227
3 HB THR 1 HB THR 1 3.211 -1.785 -3.912
4 HG1 THR 1 HG1 THR 1 4.692 -2.843 -2.462
5 HG21 THR 1 3HG2 THR 1 5.314 -0.152 -2.505
6 HG22 THR 1 1HG2 THR 1 4.458 0.422 -3.935
7 HG23 THR 1 2HG2 THR 1 5.456 -1.029 -4.028
8 H GLY 2 H GLY 2 0.360 -1.837 -2.557
9 HA2 GLY 2 2HA GLY 2 -0.439 -1.200 -5.206
10 HA3 GLY 2 3HA GLY 2 -1.419 -2.023 -4.002
11 H ASN 3 H ASN 3 -0.986 0.340 -2.157
12 HA ASN 3 HA ASN 3 -2.984 2.103 -3.415
13 HB2 ASN 3 2HB ASN 3 -2.583 1.356 -0.514
14 HB3 ASN 3 3HB ASN 3 -3.645 2.658 -1.041
15 HD21 ASN 3 1HD2 ASN 3 -4.901 0.896 0.347
16 HD22 ASN 3 2HD2 ASN 3 -5.820 -0.205 -0.616
17 H VAL 4 H VAL 4 0.191 1.931 -2.500
18 HA VAL 4 HA VAL 4 0.359 4.800 -1.868
19 HB VAL 4 HB VAL 4 2.541 2.741 -1.538
20 HG11 VAL 4 1HG1 VAL 4 2.313 5.634 -1.101
21 HG12 VAL 4 2HG1 VAL 4 3.031 4.736 0.238
22 HG13 VAL 4 3HG1 VAL 4 3.740 4.634 -1.375
23 HG21 VAL 4 3HG2 VAL 4 0.293 3.519 0.247
24 HG22 VAL 4 1HG2 VAL 4 1.074 1.953 0.027
25 HG23 VAL 4 2HG2 VAL 4 1.869 3.208 0.975
26 H GLY 5 H GLY 5 0.806 2.582 -4.361
27 HA2 GLY 5 2HA GLY 5 2.658 4.422 -5.748
28 HA3 GLY 5 3HA GLY 5 2.621 2.688 -6.029
29 H LEU 6 H LEU 6 -0.180 4.804 -5.696
30 HA LEU 6 HA LEU 6 -1.141 3.887 -8.281
31 HB2 LEU 6 2HB LEU 6 -2.726 3.842 -6.498
32 HB3 LEU 6 3HB LEU 6 -2.394 5.523 -6.086
33 HG LEU 6 HG LEU 6 -3.339 6.097 -8.386
34 HD11 LEU 6 1HD1 LEU 6 -3.300 3.388 -8.751
35 HD12 LEU 6 2HD1 LEU 6 -4.243 4.534 -9.702
36 HD13 LEU 6 3HD1 LEU 6 -4.990 3.689 -8.346
37 HD21 LEU 6 3HD2 LEU 6 -4.880 6.792 -6.926
38 HD22 LEU 6 1HD2 LEU 6 -4.688 5.364 -5.909
39 HD23 LEU 6 2HD2 LEU 6 -5.744 5.304 -7.320
40 H SER 7 H SER 7 -1.407 7.104 -6.794
41 HA SER 7 HA SER 7 -1.325 8.426 -9.305
42 HB2 SER 7 2HB SER 7 -1.676 9.164 -6.508
43 HB3 SER 7 3HB SER 7 -0.720 10.353 -7.393
44 HG SER 7 HG SER 7 -3.299 10.158 -7.402
45 HA PRO 8 HA PRO 8 3.122 9.766 -7.954
46 HB2 PRO 8 2HB PRO 8 4.225 8.444 -5.855
47 HB3 PRO 8 3HB PRO 8 3.268 9.918 -5.666
48 HG2 PRO 8 2HG PRO 8 2.445 7.064 -5.293
49 HG3 PRO 8 3HG PRO 8 2.069 8.477 -4.290
50 HD2 PRO 8 2HD PRO 8 0.312 7.449 -6.075
51 HD3 PRO 8 3HD PRO 8 0.381 9.182 -5.692
52 H GLY 9 H GLY 9 1.902 6.659 -8.365
53 HA2 GLY 9 2HA GLY 9 4.541 5.611 -9.171
54 HA3 GLY 9 3HA GLY 9 3.175 4.611 -8.698
55 H LEU 10 H LEU 10 1.339 6.375 -10.280
56 HA LEU 10 HA LEU 10 1.564 4.923 -12.750
57 HB2 LEU 10 2HB LEU 10 -0.618 5.272 -11.840
58 HB3 LEU 10 3HB LEU 10 -0.369 7.015 -11.775
59 HG LEU 10 HG LEU 10 -0.078 6.134 -14.478
60 HD11 LEU 10 1HD1 LEU 10 -2.250 4.859 -12.944
61 HD12 LEU 10 2HD1 LEU 10 -1.457 4.350 -14.435
62 HD13 LEU 10 3HD1 LEU 10 -2.707 5.594 -14.482
63 HD21 LEU 10 3HD2 LEU 10 -0.646 8.386 -13.872
64 HD22 LEU 10 1HD2 LEU 10 -2.102 7.842 -13.039
65 HD23 LEU 10 2HD2 LEU 10 -1.984 7.698 -14.793
66 H SER 11 H SER 11 1.932 8.286 -11.725
67 HA SER 11 HA SER 11 2.476 9.225 -14.389
68 HB2 SER 11 2HB SER 11 1.733 10.424 -11.985
69 HB3 SER 11 3HB SER 11 3.379 10.993 -12.262
70 HG SER 11 HG SER 11 2.460 12.342 -13.582
71 H THR 12 H THR 12 4.287 7.807 -11.860
72 HA THR 12 HA THR 12 6.832 8.895 -12.729
73 HB THR 12 HB THR 12 6.204 6.782 -10.658
74 HG1 THR 12 HG1 THR 12 6.579 8.470 -9.201
75 HG21 THR 12 3HG2 THR 12 8.772 7.992 -11.607
76 HG22 THR 12 1HG2 THR 12 8.402 6.310 -11.228
77 HG23 THR 12 2HG2 THR 12 8.604 7.484 -9.927
78 H ALA 13 H ALA 13 4.857 6.142 -13.344
79 HA ALA 13 HA ALA 13 7.059 4.598 -14.471
80 HB1 ALA 13 1HB ALA 13 5.089 2.994 -14.997
81 HB2 ALA 13 2HB ALA 13 5.634 3.179 -13.329
82 HB3 ALA 13 3HB ALA 13 4.185 4.019 -13.882
83 H LEU 14 H LEU 14 4.226 6.413 -15.487
84 HA LEU 14 HA LEU 14 4.415 5.641 -18.240
85 HB2 LEU 14 2HB LEU 14 2.633 7.167 -16.582
86 HB3 LEU 14 3HB LEU 14 3.008 8.064 -18.053
87 HG LEU 14 HG LEU 14 0.956 6.760 -18.285
88 HD11 LEU 14 1HD1 LEU 14 2.014 5.205 -20.221
89 HD12 LEU 14 2HD1 LEU 14 3.334 6.345 -19.965
90 HD13 LEU 14 3HD1 LEU 14 1.728 6.937 -20.390
91 HD21 LEU 14 3HD2 LEU 14 2.587 4.706 -17.067
92 HD22 LEU 14 1HD2 LEU 14 1.831 4.138 -18.556
93 HD23 LEU 14 2HD2 LEU 14 0.834 4.792 -17.256
94 H THR 15 H THR 15 6.150 7.763 -16.291
95 HA THR 15 HA THR 15 6.874 9.527 -18.515
96 HB THR 15 HB THR 15 7.581 9.701 -15.580
97 HG1 THR 15 HG1 THR 15 6.203 11.718 -16.019
98 HG21 THR 15 3HG2 THR 15 8.776 10.939 -17.869
99 HG22 THR 15 1HG2 THR 15 9.186 11.130 -16.166
100 HG23 THR 15 2HG2 THR 15 7.961 12.165 -16.900
101 H GLY 16 H GLY 16 8.221 7.116 -16.336
102 HA2 GLY 16 2HA GLY 16 10.824 7.363 -17.688
103 HA3 GLY 16 3HA GLY 16 10.552 6.580 -16.139
104 H PHE 17 H PHE 17 8.036 5.524 -17.819
105 HA PHE 17 HA PHE 17 8.482 2.932 -17.984
106 HB2 PHE 17 2HB PHE 17 7.069 2.785 -19.992
107 HB3 PHE 17 3HB PHE 17 6.432 3.956 -18.842
108 HD1 PHE 17 HD1 PHE 17 7.515 6.419 -19.257
109 HD2 PHE 17 HD2 PHE 17 6.925 3.390 -22.189
110 HE1 PHE 17 HE1 PHE 17 7.486 8.136 -21.020
111 HE2 PHE 17 HE2 PHE 17 6.896 5.102 -23.956
112 HZ PHE 17 HZ PHE 17 7.177 7.478 -23.373
113 H THR 18 H THR 18 9.518 5.098 -20.618
114 HA THR 18 HA THR 18 11.485 3.047 -21.403
115 HB THR 18 HB THR 18 10.334 5.184 -23.202
116 HG1 THR 18 HG1 THR 18 9.684 2.425 -23.292
117 HG21 THR 18 3HG2 THR 18 11.251 3.701 -24.985
118 HG22 THR 18 1HG2 THR 18 12.015 2.732 -23.725
119 HG23 THR 18 2HG2 THR 18 12.488 4.417 -23.951
120 H LEU 19 H LEU 19 11.044 6.189 -20.205
121 HA LEU 19 HA LEU 19 13.526 7.273 -21.203
122 HB2 LEU 19 2HB LEU 19 11.331 8.222 -19.434
123 HB3 LEU 19 3HB LEU 19 12.901 9.015 -19.319
124 HG LEU 19 HG LEU 19 12.744 9.481 -21.778
125 HD11 LEU 19 1HD1 LEU 19 10.440 7.805 -21.503
126 HD12 LEU 19 2HD1 LEU 19 11.175 8.462 -22.965
127 HD13 LEU 19 3HD1 LEU 19 9.956 9.394 -22.095
128 HD21 LEU 19 3HD2 LEU 19 10.948 10.628 -19.704
129 HD22 LEU 19 1HD2 LEU 19 10.744 11.154 -21.375
130 HD23 LEU 19 2HD2 LEU 19 12.297 11.366 -20.567
131 H VAL 20 H VAL 20 12.586 5.262 -18.644
132 HA VAL 20 HA VAL 20 14.588 6.040 -16.749
133 HB VAL 20 HB VAL 20 12.744 3.683 -16.977
134 HG11 VAL 20 1HG1 VAL 20 13.684 2.999 -14.715
135 HG12 VAL 20 2HG1 VAL 20 14.671 2.630 -16.131
136 HG13 VAL 20 3HG1 VAL 20 15.075 4.009 -15.108
137 HG21 VAL 20 3HG2 VAL 20 12.593 6.219 -15.788
138 HG22 VAL 20 1HG2 VAL 20 11.456 4.881 -15.619
139 HG23 VAL 20 2HG2 VAL 20 12.774 5.071 -14.462
140 HA PRO 21 HA PRO 21 16.813 2.069 -18.395
141 HB2 PRO 21 2HB PRO 21 15.898 1.025 -20.728
142 HB3 PRO 21 3HB PRO 21 15.283 0.529 -19.147
143 HG2 PRO 21 2HG PRO 21 14.112 2.458 -21.114
144 HG3 PRO 21 3HG PRO 21 13.301 1.203 -20.159
145 HD2 PRO 21 2HD PRO 21 13.263 3.818 -19.459
146 HD3 PRO 21 3HD PRO 21 13.241 2.508 -18.260
147 H VAL 22 H VAL 22 15.636 4.575 -20.485
148 HA VAL 22 HA VAL 22 18.040 4.431 -22.159
149 HB VAL 22 HB VAL 22 15.601 6.180 -22.510
150 HG11 VAL 22 1HG1 VAL 22 17.034 7.295 -23.836
151 HG12 VAL 22 2HG1 VAL 22 18.178 5.953 -23.902
152 HG13 VAL 22 3HG1 VAL 22 16.760 5.957 -24.951
153 HG21 VAL 22 3HG2 VAL 22 16.323 3.667 -24.011
154 HG22 VAL 22 1HG2 VAL 22 15.147 3.736 -22.699
155 HG23 VAL 22 2HG2 VAL 22 14.861 4.637 -24.188
156 H GLU 23 H GLU 23 16.842 6.032 -19.450
157 HA GLU 23 HA GLU 23 17.769 8.640 -19.742
158 HB2 GLU 23 2HB GLU 23 16.697 8.631 -17.772
159 HB3 GLU 23 3HB GLU 23 16.960 6.907 -17.549
160 HG2 GLU 23 2HG GLU 23 19.134 7.301 -16.616
161 HG3 GLU 23 3HG GLU 23 19.023 9.022 -16.981
162 H ASP 24 H ASP 24 19.513 5.705 -19.379
163 HA ASP 24 HA ASP 24 22.009 7.230 -19.014
164 HB2 ASP 24 2HB ASP 24 21.309 4.452 -18.051
165 HB3 ASP 24 3HB ASP 24 22.944 5.108 -18.034
166 H HIS 25 H HIS 25 20.201 5.468 -21.157
167 HA HIS 25 HA HIS 25 22.563 4.470 -22.600
168 HB2 HIS 25 2HB HIS 25 20.234 3.153 -21.983
169 HB3 HIS 25 3HB HIS 25 19.926 3.693 -23.630
170 HD1 HIS 25 HD1 HIS 25 20.532 1.954 -25.261
171 HD2 HIS 25 HD2 HIS 25 23.055 1.902 -21.961
172 HE1 HIS 25 HE1 HIS 25 22.168 0.094 -25.695
Start of MODEL 5
1 H1 THR 1 H THR 1 1.110 -0.516 1.485
2 HA THR 1 HA THR 1 2.248 0.757 -0.158
3 HB THR 1 HB THR 1 3.126 -1.938 -1.094
4 HG1 THR 1 HG1 THR 1 4.389 -1.827 1.047
5 HG21 THR 1 3HG2 THR 1 5.201 -0.325 -0.028
6 HG22 THR 1 1HG2 THR 1 4.169 0.713 -1.011
7 HG23 THR 1 2HG2 THR 1 4.892 -0.733 -1.716
8 H GLY 2 H GLY 2 0.240 -1.820 -1.409
9 HA2 GLY 2 2HA GLY 2 0.673 -1.382 -4.163
10 HA3 GLY 2 3HA GLY 2 -0.742 -2.148 -3.458
11 H ASN 3 H ASN 3 -1.505 0.135 -1.855
12 HA ASN 3 HA ASN 3 -2.833 1.649 -3.947
13 HB2 ASN 3 2HB ASN 3 -3.829 0.690 -1.684
14 HB3 ASN 3 3HB ASN 3 -3.255 2.229 -1.049
15 HD21 ASN 3 1HD2 ASN 3 -5.535 0.646 -3.100
16 HD22 ASN 3 2HD2 ASN 3 -6.527 2.025 -3.418
17 H VAL 4 H VAL 4 0.005 1.917 -2.263
18 HA VAL 4 HA VAL 4 -0.041 4.818 -2.007
19 HB VAL 4 HB VAL 4 2.274 2.959 -1.471
20 HG11 VAL 4 1HG1 VAL 4 2.380 5.155 0.221
21 HG12 VAL 4 2HG1 VAL 4 3.370 4.881 -1.214
22 HG13 VAL 4 3HG1 VAL 4 1.884 5.824 -1.334
23 HG21 VAL 4 3HG2 VAL 4 0.791 2.133 0.062
24 HG22 VAL 4 1HG2 VAL 4 1.448 3.488 0.980
25 HG23 VAL 4 2HG2 VAL 4 -0.111 3.644 0.170
26 H GLY 5 H GLY 5 0.700 2.526 -4.359
27 HA2 GLY 5 2HA GLY 5 2.571 4.367 -5.709
28 HA3 GLY 5 3HA GLY 5 2.481 2.637 -6.007
29 H LEU 6 H LEU 6 -0.311 4.748 -5.713
30 HA LEU 6 HA LEU 6 -1.194 3.924 -8.348
31 HB2 LEU 6 2HB LEU 6 -2.782 3.926 -6.511
32 HB3 LEU 6 3HB LEU 6 -2.502 5.647 -6.248
33 HG LEU 6 HG LEU 6 -3.341 5.264 -8.947
34 HD11 LEU 6 1HD1 LEU 6 -5.391 4.165 -8.774
35 HD12 LEU 6 2HD1 LEU 6 -5.372 4.207 -7.012
36 HD13 LEU 6 3HD1 LEU 6 -4.276 3.132 -7.879
37 HD21 LEU 6 3HD2 LEU 6 -5.149 6.382 -6.877
38 HD22 LEU 6 1HD2 LEU 6 -4.708 7.017 -8.463
39 HD23 LEU 6 2HD2 LEU 6 -3.586 7.166 -7.110
40 H SER 7 H SER 7 -1.377 7.124 -6.807
41 HA SER 7 HA SER 7 -1.231 8.492 -9.288
42 HB2 SER 7 2HB SER 7 -0.528 10.312 -7.267
43 HB3 SER 7 3HB SER 7 -2.131 10.056 -7.958
44 HG SER 7 HG SER 7 -2.647 8.733 -6.305
45 HA PRO 8 HA PRO 8 3.264 9.622 -7.903
46 HB2 PRO 8 2HB PRO 8 4.307 8.212 -5.831
47 HB3 PRO 8 3HB PRO 8 3.410 9.719 -5.612
48 HG2 PRO 8 2HG PRO 8 2.472 6.894 -5.301
49 HG3 PRO 8 3HG PRO 8 2.151 8.299 -4.268
50 HD2 PRO 8 2HD PRO 8 0.358 7.382 -6.077
51 HD3 PRO 8 3HD PRO 8 0.496 9.101 -5.658
52 H GLY 9 H GLY 9 1.920 6.576 -8.379
53 HA2 GLY 9 2HA GLY 9 4.516 5.439 -9.205
54 HA3 GLY 9 3HA GLY 9 3.110 4.486 -8.755
55 H LEU 10 H LEU 10 1.350 6.356 -10.302
56 HA LEU 10 HA LEU 10 1.515 4.946 -12.799
57 HB2 LEU 10 2HB LEU 10 -0.654 5.358 -11.925
58 HB3 LEU 10 3HB LEU 10 -0.326 7.080 -11.750
59 HG LEU 10 HG LEU 10 -0.063 6.299 -14.504
60 HD11 LEU 10 1HD1 LEU 10 -2.591 5.899 -14.750
61 HD12 LEU 10 2HD1 LEU 10 -2.530 5.406 -13.058
62 HD13 LEU 10 3HD1 LEU 10 -1.571 4.545 -14.261
63 HD21 LEU 10 3HD2 LEU 10 -2.159 7.958 -14.444
64 HD22 LEU 10 1HD2 LEU 10 -0.492 8.512 -14.282
65 HD23 LEU 10 2HD2 LEU 10 -1.490 8.289 -12.845
66 H SER 11 H SER 11 2.016 8.276 -11.716
67 HA SER 11 HA SER 11 2.613 9.237 -14.359
68 HB2 SER 11 2HB SER 11 2.270 10.381 -11.698
69 HB3 SER 11 3HB SER 11 3.612 11.115 -12.576
70 HG SER 11 HG SER 11 1.108 10.737 -13.813
71 H THR 12 H THR 12 4.356 7.697 -11.852
72 HA THR 12 HA THR 12 6.948 8.684 -12.701
73 HB THR 12 HB THR 12 6.223 6.563 -10.670
74 HG1 THR 12 HG1 THR 12 5.777 8.974 -10.364
75 HG21 THR 12 3HG2 THR 12 8.583 6.887 -9.906
76 HG22 THR 12 1HG2 THR 12 8.875 7.819 -11.374
77 HG23 THR 12 2HG2 THR 12 8.436 6.115 -11.485
78 H ALA 13 H ALA 13 4.853 6.033 -13.368
79 HA ALA 13 HA ALA 13 6.987 4.415 -14.523
80 HB1 ALA 13 1HB ALA 13 5.584 2.928 -13.549
81 HB2 ALA 13 2HB ALA 13 4.166 3.954 -13.762
82 HB3 ALA 13 3HB ALA 13 4.790 3.019 -15.121
83 H LEU 14 H LEU 14 4.239 6.374 -15.505
84 HA LEU 14 HA LEU 14 4.394 5.645 -18.272
85 HB2 LEU 14 2HB LEU 14 2.684 7.223 -16.585
86 HB3 LEU 14 3HB LEU 14 3.097 8.123 -18.043
87 HG LEU 14 HG LEU 14 1.000 6.942 -18.331
88 HD11 LEU 14 1HD1 LEU 14 1.667 6.872 -20.448
89 HD12 LEU 14 2HD1 LEU 14 2.196 5.216 -20.154
90 HD13 LEU 14 3HD1 LEU 14 3.336 6.551 -19.979
91 HD21 LEU 14 3HD2 LEU 14 2.560 4.708 -17.213
92 HD22 LEU 14 1HD2 LEU 14 1.477 4.297 -18.543
93 HD23 LEU 14 2HD2 LEU 14 0.837 5.067 -17.092
94 H THR 15 H THR 15 6.220 7.653 -16.284
95 HA THR 15 HA THR 15 7.025 9.422 -18.476
96 HB THR 15 HB THR 15 7.729 9.514 -15.536
97 HG1 THR 15 HG1 THR 15 6.078 11.228 -17.108
98 HG21 THR 15 3HG2 THR 15 8.241 11.981 -16.775
99 HG22 THR 15 1HG2 THR 15 8.966 10.757 -17.816
100 HG23 THR 15 2HG2 THR 15 9.419 10.848 -16.114
101 H GLY 16 H GLY 16 8.259 6.916 -16.338
102 HA2 GLY 16 2HA GLY 16 10.874 7.071 -17.680
103 HA3 GLY 16 3HA GLY 16 10.563 6.272 -16.146
104 H PHE 17 H PHE 17 8.008 5.361 -17.852
105 HA PHE 17 HA PHE 17 8.340 2.755 -18.065
106 HB2 PHE 17 2HB PHE 17 6.926 2.708 -20.078
107 HB3 PHE 17 3HB PHE 17 6.339 3.884 -18.906
108 HD1 PHE 17 HD2 PHE 17 7.529 6.305 -19.273
109 HD2 PHE 17 HD1 PHE 17 6.815 3.360 -22.262
110 HE1 PHE 17 HE2 PHE 17 7.580 8.054 -21.003
111 HE2 PHE 17 HE1 PHE 17 6.865 5.104 -23.997
112 HZ PHE 17 HZ PHE 17 7.247 7.455 -23.368
113 H THR 18 H THR 18 9.477 4.924 -20.654
114 HA THR 18 HA THR 18 11.354 2.803 -21.475
115 HB THR 18 HB THR 18 10.301 5.021 -23.236
116 HG1 THR 18 HG1 THR 18 9.380 2.385 -22.773
117 HG21 THR 18 3HG2 THR 18 11.885 2.514 -23.793
118 HG22 THR 18 1HG2 THR 18 12.416 4.181 -24.005
119 HG23 THR 18 2HG2 THR 18 11.153 3.519 -25.043
120 H LEU 19 H LEU 19 11.046 5.940 -20.222
121 HA LEU 19 HA LEU 19 13.577 6.932 -21.196
122 HB2 LEU 19 2HB LEU 19 11.420 7.946 -19.415
123 HB3 LEU 19 3HB LEU 19 13.023 8.668 -19.283
124 HG LEU 19 HG LEU 19 12.892 9.179 -21.736
125 HD11 LEU 19 1HD1 LEU 19 11.278 8.257 -22.942
126 HD12 LEU 19 2HD1 LEU 19 10.100 9.221 -22.051
127 HD13 LEU 19 3HD1 LEU 19 10.517 7.601 -21.492
128 HD21 LEU 19 3HD2 LEU 19 12.090 10.627 -19.636
129 HD22 LEU 19 1HD2 LEU 19 10.563 10.531 -20.513
130 HD23 LEU 19 2HD2 LEU 19 11.989 11.210 -21.298
131 H VAL 20 H VAL 20 12.541 4.921 -18.673
132 HA VAL 20 HA VAL 20 14.573 5.578 -16.762
133 HB VAL 20 HB VAL 20 12.614 3.322 -17.028
134 HG11 VAL 20 1HG1 VAL 20 15.050 3.436 -15.305
135 HG12 VAL 20 2HG1 VAL 20 13.583 2.670 -14.693
136 HG13 VAL 20 3HG1 VAL 20 14.345 2.068 -16.166
137 HG21 VAL 20 3HG2 VAL 20 11.416 4.464 -15.525
138 HG22 VAL 20 1HG2 VAL 20 12.825 4.763 -14.507
139 HG23 VAL 20 2HG2 VAL 20 12.486 5.820 -15.878
140 HA PRO 21 HA PRO 21 16.614 1.532 -18.465
141 HB2 PRO 21 2HB PRO 21 15.653 0.566 -20.814
142 HB3 PRO 21 3HB PRO 21 15.015 0.076 -19.240
143 HG2 PRO 21 2HG PRO 21 13.937 2.086 -21.180
144 HG3 PRO 21 3HG PRO 21 13.067 0.856 -20.244
145 HD2 PRO 21 2HD PRO 21 13.150 3.460 -19.506
146 HD3 PRO 21 3HD PRO 21 13.066 2.135 -18.326
147 H VAL 22 H VAL 22 15.561 4.126 -20.512
148 HA VAL 22 HA VAL 22 17.954 3.892 -22.191
149 HB VAL 22 HB VAL 22 15.599 5.757 -22.509
150 HG11 VAL 22 1HG1 VAL 22 18.030 5.198 -24.179
151 HG12 VAL 22 2HG1 VAL 22 16.558 5.875 -24.877
152 HG13 VAL 22 3HG1 VAL 22 17.415 6.749 -23.607
153 HG21 VAL 22 3HG2 VAL 22 15.040 3.338 -22.752
154 HG22 VAL 22 1HG2 VAL 22 14.798 4.284 -24.221
155 HG23 VAL 22 2HG2 VAL 22 16.216 3.248 -24.063
156 H GLU 23 H GLU 23 16.839 5.502 -19.454
157 HA GLU 23 HA GLU 23 17.906 8.066 -19.713
158 HB2 GLU 23 2HB GLU 23 16.805 8.094 -17.758
159 HB3 GLU 23 3HB GLU 23 16.977 6.357 -17.545
160 HG2 GLU 23 2HG GLU 23 19.161 6.635 -16.589
161 HG3 GLU 23 3HG GLU 23 19.132 8.364 -16.932
162 H ASP 24 H ASP 24 19.477 5.035 -19.380
163 HA ASP 24 HA ASP 24 21.931 6.015 -18.280
164 HB2 ASP 24 2HB ASP 24 21.169 3.430 -19.636
165 HB3 ASP 24 3HB ASP 24 22.804 3.757 -19.069
166 H HIS 25 H HIS 25 20.508 6.397 -21.254
167 HA HIS 25 HA HIS 25 23.119 6.767 -22.571
168 HB2 HIS 25 2HB HIS 25 21.377 4.996 -23.450
169 HB3 HIS 25 3HB HIS 25 20.606 6.413 -24.156
170 HD1 HIS 25 HD1 HIS 25 23.085 3.925 -24.876
171 HD2 HIS 25 HD2 HIS 25 22.557 7.931 -25.841
172 HE1 HIS 25 HE1 HIS 25 24.558 4.335 -26.872
Start of MODEL 6
1 H1 THR 1 H THR 1 1.426 -0.022 1.135
2 HA THR 1 HA THR 1 2.361 0.925 -0.804
3 HB THR 1 HB THR 1 2.748 -1.996 -1.427
4 HG1 THR 1 HG1 THR 1 4.408 -1.947 0.172
5 HG21 THR 1 3HG2 THR 1 4.023 -0.941 -2.975
6 HG22 THR 1 1HG2 THR 1 5.165 -0.821 -1.638
7 HG23 THR 1 2HG2 THR 1 4.124 0.546 -2.034
8 H GLY 2 H GLY 2 -0.102 -1.483 -1.373
9 HA2 GLY 2 2HA GLY 2 -0.185 -1.417 -4.177
10 HA3 GLY 2 3HA GLY 2 -1.537 -1.823 -3.131
11 H ASN 3 H ASN 3 -1.831 0.612 -1.782
12 HA ASN 3 HA ASN 3 -2.997 2.213 -3.930
13 HB2 ASN 3 2HB ASN 3 -3.416 2.201 -0.937
14 HB3 ASN 3 3HB ASN 3 -4.155 3.387 -2.010
15 HD21 ASN 3 1HD2 ASN 3 -6.244 2.846 -1.880
16 HD22 ASN 3 2HD2 ASN 3 -6.890 1.301 -2.304
17 H VAL 4 H VAL 4 -0.187 2.136 -2.185
18 HA VAL 4 HA VAL 4 0.130 5.001 -1.857
19 HB VAL 4 HB VAL 4 2.232 2.864 -1.504
20 HG11 VAL 4 1HG1 VAL 4 3.295 4.947 -1.583
21 HG12 VAL 4 2HG1 VAL 4 2.000 5.743 -0.687
22 HG13 VAL 4 3HG1 VAL 4 3.090 4.629 0.139
23 HG21 VAL 4 3HG2 VAL 4 0.342 3.993 0.560
24 HG22 VAL 4 1HG2 VAL 4 0.278 2.364 -0.114
25 HG23 VAL 4 2HG2 VAL 4 1.658 2.860 0.866
26 H GLY 5 H GLY 5 0.517 2.763 -4.342
27 HA2 GLY 5 2HA GLY 5 2.455 4.524 -5.712
28 HA3 GLY 5 3HA GLY 5 2.340 2.794 -5.999
29 H LEU 6 H LEU 6 -0.364 5.035 -5.679
30 HA LEU 6 HA LEU 6 -1.348 4.170 -8.272
31 HB2 LEU 6 2HB LEU 6 -2.483 5.295 -5.841
32 HB3 LEU 6 3HB LEU 6 -3.122 6.049 -7.300
33 HG LEU 6 HG LEU 6 -4.495 4.165 -6.431
34 HD11 LEU 6 1HD1 LEU 6 -3.413 3.364 -9.096
35 HD12 LEU 6 2HD1 LEU 6 -4.230 4.915 -8.905
36 HD13 LEU 6 3HD1 LEU 6 -5.083 3.418 -8.531
37 HD21 LEU 6 3HD2 LEU 6 -3.658 2.145 -5.998
38 HD22 LEU 6 1HD2 LEU 6 -2.066 2.894 -6.123
39 HD23 LEU 6 2HD2 LEU 6 -2.776 2.094 -7.525
40 H SER 7 H SER 7 -1.468 7.394 -6.783
41 HA SER 7 HA SER 7 -1.308 8.715 -9.291
42 HB2 SER 7 2HB SER 7 -1.714 9.450 -6.525
43 HB3 SER 7 3HB SER 7 -0.592 10.567 -7.302
44 HG SER 7 HG SER 7 -2.984 10.957 -7.467
45 HA PRO 8 HA PRO 8 3.194 9.831 -7.918
46 HB2 PRO 8 2HB PRO 8 4.221 8.454 -5.816
47 HB3 PRO 8 3HB PRO 8 3.336 9.972 -5.629
48 HG2 PRO 8 2HG PRO 8 2.372 7.162 -5.265
49 HG3 PRO 8 3HG PRO 8 2.062 8.590 -4.260
50 HD2 PRO 8 2HD PRO 8 0.264 7.653 -6.055
51 HD3 PRO 8 3HD PRO 8 0.417 9.379 -5.669
52 H GLY 9 H GLY 9 1.824 6.789 -8.340
53 HA2 GLY 9 2HA GLY 9 4.412 5.612 -9.134
54 HA3 GLY 9 3HA GLY 9 2.994 4.682 -8.673
55 H LEU 10 H LEU 10 1.256 6.534 -10.260
56 HA LEU 10 HA LEU 10 1.430 5.083 -12.734
57 HB2 LEU 10 2HB LEU 10 -0.725 5.606 -11.705
58 HB3 LEU 10 3HB LEU 10 -0.401 7.328 -11.896
59 HG LEU 10 HG LEU 10 -1.993 6.163 -13.555
60 HD11 LEU 10 1HD1 LEU 10 -1.633 7.877 -14.986
61 HD12 LEU 10 2HD1 LEU 10 0.107 7.598 -15.061
62 HD13 LEU 10 3HD1 LEU 10 -0.593 8.435 -13.676
63 HD21 LEU 10 3HD2 LEU 10 0.477 5.524 -15.090
64 HD22 LEU 10 1HD2 LEU 10 -1.150 4.857 -15.236
65 HD23 LEU 10 2HD2 LEU 10 -0.109 4.360 -13.901
66 H SER 11 H SER 11 1.957 8.414 -11.684
67 HA SER 11 HA SER 11 2.549 9.346 -14.342
68 HB2 SER 11 2HB SER 11 1.586 10.727 -12.392
69 HB3 SER 11 3HB SER 11 3.244 10.800 -11.796
70 HG SER 11 HG SER 11 3.765 12.120 -13.373
71 H THR 12 H THR 12 4.282 7.831 -11.814
72 HA THR 12 HA THR 12 6.878 8.805 -12.668
73 HB THR 12 HB THR 12 6.144 6.715 -10.608
74 HG1 THR 12 HG1 THR 12 6.333 8.338 -9.165
75 HG21 THR 12 3HG2 THR 12 8.301 6.103 -10.964
76 HG22 THR 12 1HG2 THR 12 8.626 7.494 -9.931
77 HG23 THR 12 2HG2 THR 12 8.736 7.653 -11.684
78 H ALA 13 H ALA 13 4.781 6.150 -13.304
79 HA ALA 13 HA ALA 13 6.914 4.509 -14.427
80 HB1 ALA 13 1HB ALA 13 4.859 3.012 -14.978
81 HB2 ALA 13 2HB ALA 13 5.426 3.143 -13.312
82 HB3 ALA 13 3HB ALA 13 4.019 4.066 -13.840
83 H LEU 14 H LEU 14 4.175 6.461 -15.450
84 HA LEU 14 HA LEU 14 4.341 5.693 -18.205
85 HB2 LEU 14 2HB LEU 14 2.628 7.299 -16.549
86 HB3 LEU 14 3HB LEU 14 3.051 8.179 -18.017
87 HG LEU 14 HG LEU 14 0.940 6.976 -18.259
88 HD11 LEU 14 1HD1 LEU 14 1.929 5.374 -20.193
89 HD12 LEU 14 2HD1 LEU 14 3.301 6.450 -19.931
90 HD13 LEU 14 3HD1 LEU 14 1.727 7.118 -20.360
91 HD21 LEU 14 3HD2 LEU 14 1.688 4.314 -18.530
92 HD22 LEU 14 1HD2 LEU 14 0.720 5.015 -17.233
93 HD23 LEU 14 2HD2 LEU 14 2.465 4.844 -17.037
94 H THR 15 H THR 15 6.166 7.721 -16.238
95 HA THR 15 HA THR 15 6.984 9.460 -18.449
96 HB THR 15 HB THR 15 7.688 9.580 -15.510
97 HG1 THR 15 HG1 THR 15 6.029 11.267 -17.104
98 HG21 THR 15 3HG2 THR 15 9.363 10.934 -16.079
99 HG22 THR 15 1HG2 THR 15 8.195 12.031 -16.814
100 HG23 THR 15 2HG2 THR 15 8.954 10.770 -17.787
101 H GLY 16 H GLY 16 8.207 6.975 -16.278
102 HA2 GLY 16 2HA GLY 16 10.823 7.102 -17.622
103 HA3 GLY 16 3HA GLY 16 10.508 6.324 -16.078
104 H PHE 17 H PHE 17 7.949 5.399 -17.768
105 HA PHE 17 HA PHE 17 8.270 2.790 -17.948
106 HB2 PHE 17 2HB PHE 17 6.855 2.721 -19.958
107 HB3 PHE 17 3HB PHE 17 6.274 3.919 -18.805
108 HD1 PHE 17 HD1 PHE 17 7.481 6.327 -19.209
109 HD2 PHE 17 HD2 PHE 17 6.744 3.341 -22.152
110 HE1 PHE 17 HE1 PHE 17 7.541 8.048 -20.966
111 HE2 PHE 17 HE2 PHE 17 6.804 5.058 -23.914
112 HZ PHE 17 HZ PHE 17 7.204 7.415 -23.322
113 H THR 18 H THR 18 9.416 4.918 -20.567
114 HA THR 18 HA THR 18 11.283 2.778 -21.360
115 HB THR 18 HB THR 18 10.240 4.981 -23.146
116 HG1 THR 18 HG1 THR 18 9.298 2.367 -22.630
117 HG21 THR 18 3HG2 THR 18 11.091 3.463 -24.937
118 HG22 THR 18 1HG2 THR 18 11.813 2.460 -23.679
119 HG23 THR 18 2HG2 THR 18 12.356 4.124 -23.901
120 H LEU 19 H LEU 19 10.997 5.923 -20.131
121 HA LEU 19 HA LEU 19 13.530 6.894 -21.120
122 HB2 LEU 19 2HB LEU 19 11.375 7.935 -19.357
123 HB3 LEU 19 3HB LEU 19 12.982 8.643 -19.210
124 HG LEU 19 HG LEU 19 11.643 10.006 -20.668
125 HD11 LEU 19 1HD1 LEU 19 14.087 8.791 -21.420
126 HD12 LEU 19 2HD1 LEU 19 13.469 10.381 -21.863
127 HD13 LEU 19 3HD1 LEU 19 13.110 8.983 -22.875
128 HD21 LEU 19 3HD2 LEU 19 11.356 7.822 -22.673
129 HD22 LEU 19 1HD2 LEU 19 10.371 9.263 -22.423
130 HD23 LEU 19 2HD2 LEU 19 10.224 7.894 -21.321
131 H VAL 20 H VAL 20 12.496 4.898 -18.590
132 HA VAL 20 HA VAL 20 14.525 5.565 -16.680
133 HB VAL 20 HB VAL 20 12.591 3.282 -16.938
134 HG11 VAL 20 1HG1 VAL 20 14.451 2.157 -16.057
135 HG12 VAL 20 2HG1 VAL 20 14.914 3.531 -15.051
136 HG13 VAL 20 3HG1 VAL 20 13.478 2.586 -14.650
137 HG21 VAL 20 3HG2 VAL 20 12.544 5.827 -15.719
138 HG22 VAL 20 1HG2 VAL 20 11.319 4.560 -15.643
139 HG23 VAL 20 2HG2 VAL 20 12.590 4.633 -14.422
140 HA PRO 21 HA PRO 21 16.566 1.513 -18.370
141 HB2 PRO 21 2HB PRO 21 15.612 0.547 -20.721
142 HB3 PRO 21 3HB PRO 21 14.968 0.058 -19.150
143 HG2 PRO 21 2HG PRO 21 13.899 2.068 -21.094
144 HG3 PRO 21 3HG PRO 21 13.024 0.840 -20.160
145 HD2 PRO 21 2HD PRO 21 13.108 3.444 -19.423
146 HD3 PRO 21 3HD PRO 21 13.019 2.121 -18.243
147 H VAL 22 H VAL 22 15.511 4.091 -20.444
148 HA VAL 22 HA VAL 22 17.912 3.857 -22.109
149 HB VAL 22 HB VAL 22 15.569 5.737 -22.434
150 HG11 VAL 22 1HG1 VAL 22 16.619 5.628 -24.860
151 HG12 VAL 22 2HG1 VAL 22 17.205 6.768 -23.647
152 HG13 VAL 22 3HG1 VAL 22 18.083 5.268 -23.947
153 HG21 VAL 22 3HG2 VAL 22 14.984 3.322 -22.658
154 HG22 VAL 22 1HG2 VAL 22 14.747 4.260 -24.132
155 HG23 VAL 22 2HG2 VAL 22 16.155 3.210 -23.972
156 H GLU 23 H GLU 23 16.795 5.474 -19.376
157 HA GLU 23 HA GLU 23 17.873 8.033 -19.637
158 HB2 GLU 23 2HB GLU 23 16.764 8.071 -17.687
159 HB3 GLU 23 3HB GLU 23 16.926 6.335 -17.470
160 HG2 GLU 23 2HG GLU 23 19.108 6.604 -16.505
161 HG3 GLU 23 3HG GLU 23 19.088 8.332 -16.850
162 H ASP 24 H ASP 24 19.429 4.996 -19.291
163 HA ASP 24 HA ASP 24 21.885 5.975 -18.187
164 HB2 ASP 24 2HB ASP 24 21.162 3.379 -19.554
165 HB3 ASP 24 3HB ASP 24 22.757 3.714 -18.885
166 H HIS 25 H HIS 25 20.473 6.345 -21.163
167 HA HIS 25 HA HIS 25 23.003 6.351 -22.637
168 HB2 HIS 25 2HB HIS 25 20.919 5.258 -23.582
169 HB3 HIS 25 3HB HIS 25 20.244 6.877 -23.745
170 HD1 HIS 25 HD1 HIS 25 20.530 5.334 -26.278
171 HD2 HIS 25 HD2 HIS 25 23.607 7.670 -24.748
172 HE1 HIS 25 HE1 HIS 25 22.010 5.866 -28.240
Start of MODEL 7
1 H1 THR 1 H THR 1 1.356 0.046 1.092
2 HA THR 1 HA THR 1 2.485 0.926 -0.695
3 HB THR 1 HB THR 1 3.543 -1.321 -1.974
4 HG1 THR 1 HG1 THR 1 4.232 -2.406 0.142
5 HG21 THR 1 3HG2 THR 1 5.321 -0.727 0.053
6 HG22 THR 1 1HG2 THR 1 4.398 0.764 -0.129
7 HG23 THR 1 2HG2 THR 1 5.236 0.071 -1.517
8 H GLY 2 H GLY 2 0.413 -1.798 -1.496
9 HA2 GLY 2 2HA GLY 2 0.395 -1.555 -4.283
10 HA3 GLY 2 3HA GLY 2 -0.917 -2.215 -3.318
11 H ASN 3 H ASN 3 -1.450 0.178 -1.830
12 HA ASN 3 HA ASN 3 -2.898 1.640 -3.904
13 HB2 ASN 3 2HB ASN 3 -3.174 1.715 -0.890
14 HB3 ASN 3 3HB ASN 3 -4.205 2.575 -2.029
15 HD21 ASN 3 1HD2 ASN 3 -5.914 1.562 -2.861
16 HD22 ASN 3 2HD2 ASN 3 -6.282 -0.112 -2.636
17 H VAL 4 H VAL 4 -0.030 1.897 -2.270
18 HA VAL 4 HA VAL 4 -0.067 4.800 -2.015
19 HB VAL 4 HB VAL 4 2.248 2.934 -1.496
20 HG11 VAL 4 1HG1 VAL 4 3.350 4.857 -1.268
21 HG12 VAL 4 2HG1 VAL 4 1.863 5.804 -1.356
22 HG13 VAL 4 3HG1 VAL 4 2.391 5.130 0.187
23 HG21 VAL 4 3HG2 VAL 4 0.906 2.116 0.125
24 HG22 VAL 4 1HG2 VAL 4 1.366 3.598 0.964
25 HG23 VAL 4 2HG2 VAL 4 -0.165 3.517 0.094
26 H GLY 5 H GLY 5 0.641 2.500 -4.368
27 HA2 GLY 5 2HA GLY 5 2.511 4.324 -5.740
28 HA3 GLY 5 3HA GLY 5 2.400 2.596 -6.038
29 H LEU 6 H LEU 6 -0.367 4.734 -5.711
30 HA LEU 6 HA LEU 6 -1.286 3.923 -8.338
31 HB2 LEU 6 2HB LEU 6 -2.871 3.922 -6.516
32 HB3 LEU 6 3HB LEU 6 -2.548 5.624 -6.194
33 HG LEU 6 HG LEU 6 -3.442 5.249 -8.911
34 HD11 LEU 6 1HD1 LEU 6 -4.696 3.381 -8.326
35 HD12 LEU 6 2HD1 LEU 6 -5.835 4.714 -8.141
36 HD13 LEU 6 3HD1 LEU 6 -5.065 4.009 -6.720
37 HD21 LEU 6 3HD2 LEU 6 -4.462 7.202 -8.490
38 HD22 LEU 6 1HD2 LEU 6 -3.501 7.196 -7.011
39 HD23 LEU 6 2HD2 LEU 6 -5.169 6.622 -6.980
40 H SER 7 H SER 7 -1.450 7.121 -6.794
41 HA SER 7 HA SER 7 -1.299 8.488 -9.277
42 HB2 SER 7 2HB SER 7 -2.320 9.912 -7.842
43 HB3 SER 7 3HB SER 7 -1.523 9.213 -6.433
44 HG SER 7 HG SER 7 -0.527 11.160 -8.227
45 HA PRO 8 HA PRO 8 3.192 9.618 -7.880
46 HB2 PRO 8 2HB PRO 8 4.229 8.214 -5.801
47 HB3 PRO 8 3HB PRO 8 3.331 9.722 -5.589
48 HG2 PRO 8 2HG PRO 8 2.391 6.898 -5.273
49 HG3 PRO 8 3HG PRO 8 2.067 8.306 -4.245
50 HD2 PRO 8 2HD PRO 8 0.279 7.384 -6.058
51 HD3 PRO 8 3HD PRO 8 0.417 9.105 -5.643
52 H GLY 9 H GLY 9 1.847 6.577 -8.364
53 HA2 GLY 9 2HA GLY 9 4.446 5.436 -9.175
54 HA3 GLY 9 3HA GLY 9 3.039 4.484 -8.727
55 H LEU 10 H LEU 10 1.285 6.353 -10.283
56 HA LEU 10 HA LEU 10 1.465 4.940 -12.780
57 HB2 LEU 10 2HB LEU 10 -0.713 5.320 -11.941
58 HB3 LEU 10 3HB LEU 10 -0.400 7.039 -11.709
59 HG LEU 10 HG LEU 10 -0.200 6.116 -14.492
60 HD11 LEU 10 1HD1 LEU 10 -2.534 5.846 -14.866
61 HD12 LEU 10 2HD1 LEU 10 -2.911 6.243 -13.190
62 HD13 LEU 10 3HD1 LEU 10 -2.076 4.737 -13.572
63 HD21 LEU 10 3HD2 LEU 10 -1.767 8.169 -14.662
64 HD22 LEU 10 1HD2 LEU 10 -0.077 8.413 -14.220
65 HD23 LEU 10 2HD2 LEU 10 -1.326 8.437 -12.975
66 H SER 11 H SER 11 1.962 8.262 -11.683
67 HA SER 11 HA SER 11 2.550 9.235 -14.326
68 HB2 SER 11 2HB SER 11 1.969 10.387 -11.793
69 HB3 SER 11 3HB SER 11 3.541 11.000 -12.303
70 HG SER 11 HG SER 11 1.078 11.597 -13.249
71 H THR 12 H THR 12 4.295 7.698 -11.819
72 HA THR 12 HA THR 12 6.884 8.702 -12.661
73 HB THR 12 HB THR 12 6.177 6.571 -10.635
74 HG1 THR 12 HG1 THR 12 5.729 9.017 -10.365
75 HG21 THR 12 3HG2 THR 12 8.563 7.084 -9.860
76 HG22 THR 12 1HG2 THR 12 8.796 7.799 -11.454
77 HG23 THR 12 2HG2 THR 12 8.378 6.092 -11.306
78 H ALA 13 H ALA 13 4.805 6.042 -13.334
79 HA ALA 13 HA ALA 13 6.949 4.432 -14.480
80 HB1 ALA 13 1HB ALA 13 4.770 3.020 -15.087
81 HB2 ALA 13 2HB ALA 13 5.542 2.946 -13.502
82 HB3 ALA 13 3HB ALA 13 4.121 3.962 -13.744
83 H LEU 14 H LEU 14 4.196 6.379 -15.475
84 HA LEU 14 HA LEU 14 4.366 5.650 -18.240
85 HB2 LEU 14 2HB LEU 14 2.644 7.221 -16.562
86 HB3 LEU 14 3HB LEU 14 3.061 8.125 -18.016
87 HG LEU 14 HG LEU 14 0.958 6.915 -18.279
88 HD11 LEU 14 1HD1 LEU 14 1.958 5.342 -20.231
89 HD12 LEU 14 2HD1 LEU 14 3.325 6.421 -19.954
90 HD13 LEU 14 3HD1 LEU 14 1.748 7.087 -20.377
91 HD21 LEU 14 3HD2 LEU 14 0.747 4.940 -17.277
92 HD22 LEU 14 1HD2 LEU 14 2.492 4.775 -17.084
93 HD23 LEU 14 2HD2 LEU 14 1.719 4.260 -18.584
94 H THR 15 H THR 15 6.178 7.664 -16.246
95 HA THR 15 HA THR 15 6.985 9.437 -18.434
96 HB THR 15 HB THR 15 7.682 9.524 -15.492
97 HG1 THR 15 HG1 THR 15 6.017 10.834 -15.331
98 HG21 THR 15 3HG2 THR 15 8.934 10.764 -17.760
99 HG22 THR 15 1HG2 THR 15 9.368 10.869 -16.055
100 HG23 THR 15 2HG2 THR 15 8.194 11.994 -16.737
101 H GLY 16 H GLY 16 8.221 6.929 -16.299
102 HA2 GLY 16 2HA GLY 16 10.837 7.092 -17.639
103 HA3 GLY 16 3HA GLY 16 10.528 6.292 -16.105
104 H PHE 17 H PHE 17 7.975 5.374 -17.811
105 HA PHE 17 HA PHE 17 8.314 2.769 -18.023
106 HB2 PHE 17 2HB PHE 17 6.899 2.717 -20.034
107 HB3 PHE 17 3HB PHE 17 6.310 3.896 -18.866
108 HD1 PHE 17 HD2 PHE 17 7.500 6.317 -19.239
109 HD2 PHE 17 HD1 PHE 17 6.785 3.364 -22.220
110 HE1 PHE 17 HE2 PHE 17 7.549 8.061 -20.973
111 HE2 PHE 17 HE1 PHE 17 6.834 5.104 -23.959
112 HZ PHE 17 HZ PHE 17 7.215 7.456 -23.337
113 H THR 18 H THR 18 9.447 4.941 -20.612
114 HA THR 18 HA THR 18 11.329 2.825 -21.433
115 HB THR 18 HB THR 18 10.269 5.040 -23.192
116 HG1 THR 18 HG1 THR 18 9.486 2.298 -23.125
117 HG21 THR 18 3HG2 THR 18 11.863 2.540 -23.753
118 HG22 THR 18 1HG2 THR 18 12.389 4.209 -23.960
119 HG23 THR 18 2HG2 THR 18 11.130 3.547 -25.001
120 H LEU 19 H LEU 19 11.016 5.955 -20.171
121 HA LEU 19 HA LEU 19 13.543 6.956 -21.147
122 HB2 LEU 19 2HB LEU 19 11.380 7.962 -19.372
123 HB3 LEU 19 3HB LEU 19 12.981 8.682 -19.222
124 HG LEU 19 HG LEU 19 11.623 10.044 -20.665
125 HD11 LEU 19 1HD1 LEU 19 13.446 10.454 -21.852
126 HD12 LEU 19 2HD1 LEU 19 13.105 9.063 -22.881
127 HD13 LEU 19 3HD1 LEU 19 14.083 8.865 -21.427
128 HD21 LEU 19 3HD2 LEU 19 11.366 7.873 -22.689
129 HD22 LEU 19 1HD2 LEU 19 10.365 9.302 -22.433
130 HD23 LEU 19 2HD2 LEU 19 10.229 7.924 -21.341
131 H VAL 20 H VAL 20 12.520 4.930 -18.635
132 HA VAL 20 HA VAL 20 14.549 5.591 -16.721
133 HB VAL 20 HB VAL 20 12.605 3.320 -16.990
134 HG11 VAL 20 1HG1 VAL 20 14.257 2.049 -16.067
135 HG12 VAL 20 2HG1 VAL 20 15.068 3.434 -15.334
136 HG13 VAL 20 3HG1 VAL 20 13.606 2.775 -14.598
137 HG21 VAL 20 3HG2 VAL 20 12.773 4.773 -14.475
138 HG22 VAL 20 1HG2 VAL 20 12.451 5.826 -15.853
139 HG23 VAL 20 2HG2 VAL 20 11.381 4.465 -15.513
140 HA PRO 21 HA PRO 21 16.594 1.552 -18.438
141 HB2 PRO 21 2HB PRO 21 15.637 0.596 -20.791
142 HB3 PRO 21 3HB PRO 21 14.997 0.098 -19.221
143 HG2 PRO 21 2HG PRO 21 13.919 2.116 -21.152
144 HG3 PRO 21 3HG PRO 21 13.050 0.881 -20.222
145 HD2 PRO 21 2HD PRO 21 13.130 3.482 -19.472
146 HD3 PRO 21 3HD PRO 21 13.046 2.152 -18.299
147 H VAL 22 H VAL 22 15.540 4.153 -20.476
148 HA VAL 22 HA VAL 22 17.933 3.927 -22.157
149 HB VAL 22 HB VAL 22 15.581 5.800 -22.461
150 HG11 VAL 22 1HG1 VAL 22 17.227 6.854 -23.649
151 HG12 VAL 22 2HG1 VAL 22 18.092 5.355 -23.995
152 HG13 VAL 22 3HG1 VAL 22 16.620 5.750 -24.883
153 HG21 VAL 22 3HG2 VAL 22 16.187 3.298 -24.029
154 HG22 VAL 22 1HG2 VAL 22 15.016 3.384 -22.713
155 HG23 VAL 22 2HG2 VAL 22 14.770 4.337 -24.177
156 H GLU 23 H GLU 23 16.822 5.524 -19.409
157 HA GLU 23 HA GLU 23 17.906 8.085 -19.661
158 HB2 GLU 23 2HB GLU 23 16.622 7.952 -17.778
159 HB3 GLU 23 3HB GLU 23 17.149 6.317 -17.403
160 HG2 GLU 23 2HG GLU 23 17.939 7.803 -15.703
161 HG3 GLU 23 3HG GLU 23 19.314 7.227 -16.644
162 H ASP 24 H ASP 24 19.434 5.026 -19.198
163 HA ASP 24 HA ASP 24 21.903 6.054 -18.161
164 HB2 ASP 24 2HB ASP 24 21.106 3.376 -19.304
165 HB3 ASP 24 3HB ASP 24 22.742 3.727 -18.751
166 H HIS 25 H HIS 25 20.485 6.248 -21.144
167 HA HIS 25 HA HIS 25 23.098 6.457 -22.491
168 HB2 HIS 25 2HB HIS 25 21.435 4.619 -23.250
169 HB3 HIS 25 3HB HIS 25 20.529 5.948 -23.967
170 HD1 HIS 25 HD1 HIS 25 22.668 7.616 -25.246
171 HD2 HIS 25 HD2 HIS 25 22.725 3.463 -25.322
172 HE1 HIS 25 HE1 HIS 25 24.102 7.000 -27.218
Start of MODEL 8
1 H1 THR 1 H THR 1 2.406 -0.942 -0.338
2 HA THR 1 HA THR 1 2.816 0.768 -2.284
3 HB THR 1 HB THR 1 2.829 -2.051 -3.266
4 HG1 THR 1 HG1 THR 1 4.357 -1.046 -1.086
5 HG21 THR 1 3HG2 THR 1 3.841 -0.400 -4.676
6 HG22 THR 1 1HG2 THR 1 5.137 -1.351 -3.951
7 HG23 THR 1 2HG2 THR 1 4.770 0.258 -3.329
8 H GLY 2 H GLY 2 0.155 -1.507 -2.302
9 HA2 GLY 2 2HA GLY 2 -0.626 -1.093 -5.008
10 HA3 GLY 2 3HA GLY 2 -1.622 -1.788 -3.737
11 H ASN 3 H ASN 3 -1.272 0.611 -2.032
12 HA ASN 3 HA ASN 3 -3.111 2.391 -3.492
13 HB2 ASN 3 2HB ASN 3 -2.952 1.733 -0.546
14 HB3 ASN 3 3HB ASN 3 -3.931 3.045 -1.194
15 HD21 ASN 3 1HD2 ASN 3 -5.223 1.217 0.208
16 HD22 ASN 3 2HD2 ASN 3 -6.146 0.168 -0.808
17 H VAL 4 H VAL 4 -0.021 2.154 -2.330
18 HA VAL 4 HA VAL 4 0.195 5.029 -1.754
19 HB VAL 4 HB VAL 4 2.293 2.915 -1.267
20 HG11 VAL 4 1HG1 VAL 4 2.759 4.911 0.500
21 HG12 VAL 4 2HG1 VAL 4 3.529 4.788 -1.084
22 HG13 VAL 4 3HG1 VAL 4 2.116 5.822 -0.866
23 HG21 VAL 4 3HG2 VAL 4 0.790 2.183 0.266
24 HG22 VAL 4 1HG2 VAL 4 1.454 3.524 1.200
25 HG23 VAL 4 2HG2 VAL 4 -0.065 3.724 0.327
26 H GLY 5 H GLY 5 0.704 2.772 -4.192
27 HA2 GLY 5 2HA GLY 5 2.678 4.543 -5.498
28 HA3 GLY 5 3HA GLY 5 2.632 2.804 -5.744
29 H LEU 6 H LEU 6 -0.260 4.763 -5.568
30 HA LEU 6 HA LEU 6 -1.004 3.892 -8.229
31 HB2 LEU 6 2HB LEU 6 -2.374 4.567 -5.868
32 HB3 LEU 6 3HB LEU 6 -2.847 5.762 -7.073
33 HG LEU 6 HG LEU 6 -4.429 3.923 -7.014
34 HD11 LEU 6 1HD1 LEU 6 -3.997 5.039 -9.149
35 HD12 LEU 6 2HD1 LEU 6 -4.417 3.341 -9.374
36 HD13 LEU 6 3HD1 LEU 6 -2.737 3.859 -9.508
37 HD21 LEU 6 3HD2 LEU 6 -3.629 1.915 -6.461
38 HD22 LEU 6 1HD2 LEU 6 -1.990 2.337 -6.959
39 HD23 LEU 6 2HD2 LEU 6 -3.155 1.764 -8.153
40 H SER 7 H SER 7 -1.235 7.080 -6.648
41 HA SER 7 HA SER 7 -1.191 8.474 -9.127
42 HB2 SER 7 2HB SER 7 -0.467 10.253 -7.043
43 HB3 SER 7 3HB SER 7 -2.050 10.055 -7.795
44 HG SER 7 HG SER 7 -2.718 9.021 -6.090
45 HA PRO 8 HA PRO 8 3.305 9.688 -7.817
46 HB2 PRO 8 2HB PRO 8 4.418 8.284 -5.778
47 HB3 PRO 8 3HB PRO 8 3.493 9.770 -5.529
48 HG2 PRO 8 2HG PRO 8 2.621 6.922 -5.224
49 HG3 PRO 8 3HG PRO 8 2.290 8.312 -4.174
50 HD2 PRO 8 2HD PRO 8 0.483 7.371 -5.957
51 HD3 PRO 8 3HD PRO 8 0.593 9.090 -5.525
52 H GLY 9 H GLY 9 2.017 6.618 -8.296
53 HA2 GLY 9 2HA GLY 9 4.621 5.544 -9.179
54 HA3 GLY 9 3HA GLY 9 3.244 4.558 -8.712
55 H LEU 10 H LEU 10 1.405 6.382 -10.205
56 HA LEU 10 HA LEU 10 1.565 5.007 -12.721
57 HB2 LEU 10 2HB LEU 10 -0.592 5.374 -11.742
58 HB3 LEU 10 3HB LEU 10 -0.313 7.113 -11.667
59 HG LEU 10 HG LEU 10 -0.100 6.226 -14.384
60 HD11 LEU 10 1HD1 LEU 10 -2.112 5.189 -14.818
61 HD12 LEU 10 2HD1 LEU 10 -2.833 5.712 -13.295
62 HD13 LEU 10 3HD1 LEU 10 -1.629 4.423 -13.304
63 HD21 LEU 10 3HD2 LEU 10 -1.951 7.862 -14.657
64 HD22 LEU 10 1HD2 LEU 10 -0.565 8.499 -13.771
65 HD23 LEU 10 2HD2 LEU 10 -2.020 8.015 -12.900
66 H SER 11 H SER 11 2.023 8.326 -11.599
67 HA SER 11 HA SER 11 2.527 9.339 -14.245
68 HB2 SER 11 2HB SER 11 1.926 10.461 -11.730
69 HB3 SER 11 3HB SER 11 3.525 11.067 -12.163
70 HG SER 11 HG SER 11 2.597 11.688 -14.200
71 H THR 12 H THR 12 4.361 7.808 -11.801
72 HA THR 12 HA THR 12 6.909 8.870 -12.702
73 HB THR 12 HB THR 12 6.302 6.716 -10.666
74 HG1 THR 12 HG1 THR 12 7.284 9.308 -10.109
75 HG21 THR 12 3HG2 THR 12 8.768 7.647 -10.047
76 HG22 THR 12 1HG2 THR 12 8.814 7.754 -11.807
77 HG23 THR 12 2HG2 THR 12 8.475 6.209 -11.026
78 H ALA 13 H ALA 13 4.857 6.189 -13.349
79 HA ALA 13 HA ALA 13 7.003 4.614 -14.545
80 HB1 ALA 13 1HB ALA 13 4.902 3.122 -15.092
81 HB2 ALA 13 2HB ALA 13 5.613 3.145 -13.478
82 HB3 ALA 13 3HB ALA 13 4.165 4.094 -13.818
83 H LEU 14 H LEU 14 4.193 6.516 -15.466
84 HA LEU 14 HA LEU 14 4.318 5.803 -18.239
85 HB2 LEU 14 2HB LEU 14 2.592 7.319 -16.515
86 HB3 LEU 14 3HB LEU 14 2.957 8.244 -17.970
87 HG LEU 14 HG LEU 14 0.879 6.980 -18.196
88 HD11 LEU 14 1HD1 LEU 14 3.219 6.561 -19.929
89 HD12 LEU 14 2HD1 LEU 14 1.621 7.201 -20.308
90 HD13 LEU 14 3HD1 LEU 14 1.867 5.459 -20.190
91 HD21 LEU 14 3HD2 LEU 14 0.743 4.988 -17.214
92 HD22 LEU 14 1HD2 LEU 14 2.496 4.871 -17.058
93 HD23 LEU 14 2HD2 LEU 14 1.707 4.351 -18.547
94 H THR 15 H THR 15 6.122 7.849 -16.272
95 HA THR 15 HA THR 15 6.836 9.655 -18.464
96 HB THR 15 HB THR 15 7.616 9.742 -15.543
97 HG1 THR 15 HG1 THR 15 6.030 11.220 -15.345
98 HG21 THR 15 3HG2 THR 15 7.975 12.237 -16.819
99 HG22 THR 15 1HG2 THR 15 8.764 11.025 -17.828
100 HG23 THR 15 2HG2 THR 15 9.210 11.183 -16.129
101 H GLY 16 H GLY 16 8.183 7.167 -16.373
102 HA2 GLY 16 2HA GLY 16 10.763 7.403 -17.769
103 HA3 GLY 16 3HA GLY 16 10.507 6.585 -16.235
104 H PHE 17 H PHE 17 7.941 5.615 -17.889
105 HA PHE 17 HA PHE 17 8.340 3.021 -18.130
106 HB2 PHE 17 2HB PHE 17 6.881 2.948 -20.108
107 HB3 PHE 17 3HB PHE 17 6.290 4.103 -18.919
108 HD1 PHE 17 HD2 PHE 17 7.417 6.555 -19.302
109 HD2 PHE 17 HD1 PHE 17 6.695 3.607 -22.285
110 HE1 PHE 17 HE2 PHE 17 7.383 8.312 -21.025
111 HE2 PHE 17 HE1 PHE 17 6.661 5.358 -24.013
112 HZ PHE 17 HZ PHE 17 7.004 7.714 -23.384
113 H THR 18 H THR 18 9.356 5.237 -20.729
114 HA THR 18 HA THR 18 11.270 3.175 -21.610
115 HB THR 18 HB THR 18 10.120 5.381 -23.324
116 HG1 THR 18 HG1 THR 18 9.376 2.633 -23.134
117 HG21 THR 18 3HG2 THR 18 12.245 4.602 -24.138
118 HG22 THR 18 1HG2 THR 18 10.978 3.937 -25.167
119 HG23 THR 18 2HG2 THR 18 11.751 2.920 -23.951
120 H LEU 19 H LEU 19 10.913 6.288 -20.315
121 HA LEU 19 HA LEU 19 13.393 7.356 -21.336
122 HB2 LEU 19 2HB LEU 19 11.247 8.294 -19.506
123 HB3 LEU 19 3HB LEU 19 12.834 9.049 -19.380
124 HG LEU 19 HG LEU 19 11.419 10.396 -20.780
125 HD11 LEU 19 1HD1 LEU 19 13.884 9.273 -21.610
126 HD12 LEU 19 2HD1 LEU 19 13.210 10.855 -21.998
127 HD13 LEU 19 3HD1 LEU 19 12.869 9.473 -23.039
128 HD21 LEU 19 3HD2 LEU 19 10.059 8.249 -21.449
129 HD22 LEU 19 1HD2 LEU 19 11.163 8.247 -22.825
130 HD23 LEU 19 2HD2 LEU 19 10.134 9.647 -22.522
131 H VAL 20 H VAL 20 12.476 5.281 -18.824
132 HA VAL 20 HA VAL 20 14.538 5.972 -16.953
133 HB VAL 20 HB VAL 20 12.629 3.668 -17.188
134 HG11 VAL 20 1HG1 VAL 20 15.065 3.870 -15.459
135 HG12 VAL 20 2HG1 VAL 20 13.637 2.993 -14.905
136 HG13 VAL 20 3HG1 VAL 20 14.462 2.494 -16.382
137 HG21 VAL 20 3HG2 VAL 20 12.571 6.180 -15.941
138 HG22 VAL 20 1HG2 VAL 20 11.403 4.869 -15.777
139 HG23 VAL 20 2HG2 VAL 20 12.750 4.997 -14.646
140 HA PRO 21 HA PRO 21 16.616 1.984 -18.745
141 HB2 PRO 21 2HB PRO 21 15.614 1.017 -21.075
142 HB3 PRO 21 3HB PRO 21 15.027 0.500 -19.489
143 HG2 PRO 21 2HG PRO 21 13.857 2.502 -21.382
144 HG3 PRO 21 3HG PRO 21 13.038 1.247 -20.434
145 HD2 PRO 21 2HD PRO 21 13.086 3.847 -19.676
146 HD3 PRO 21 3HD PRO 21 13.061 2.511 -18.507
147 H VAL 22 H VAL 22 15.463 4.579 -20.729
148 HA VAL 22 HA VAL 22 17.830 4.414 -22.458
149 HB VAL 22 HB VAL 22 15.416 6.203 -22.761
150 HG11 VAL 22 1HG1 VAL 22 16.708 7.279 -24.220
151 HG12 VAL 22 2HG1 VAL 22 17.981 6.064 -24.090
152 HG13 VAL 22 3HG1 VAL 22 16.648 5.828 -25.220
153 HG21 VAL 22 3HG2 VAL 22 16.058 3.670 -24.265
154 HG22 VAL 22 1HG2 VAL 22 14.891 3.779 -22.947
155 HG23 VAL 22 2HG2 VAL 22 14.622 4.679 -24.440
156 H GLU 23 H GLU 23 16.677 6.001 -19.719
157 HA GLU 23 HA GLU 23 17.562 8.605 -19.947
158 HB2 GLU 23 2HB GLU 23 16.590 8.434 -17.922
159 HB3 GLU 23 3HB GLU 23 17.034 6.741 -17.750
160 HG2 GLU 23 2HG GLU 23 18.063 8.010 -16.000
161 HG3 GLU 23 3HG GLU 23 19.310 7.436 -17.107
162 H ASP 24 H ASP 24 19.414 5.682 -19.353
163 HA ASP 24 HA ASP 24 21.883 7.289 -19.427
164 HB2 ASP 24 2HB ASP 24 21.330 4.637 -18.087
165 HB3 ASP 24 3HB ASP 24 22.945 5.317 -18.272
166 H HIS 25 H HIS 25 19.981 5.249 -21.209
167 HA HIS 25 HA HIS 25 22.262 4.479 -22.898
168 HB2 HIS 25 2HB HIS 25 19.899 2.775 -22.106
169 HB3 HIS 25 3HB HIS 25 20.942 2.389 -23.472
170 HD1 HIS 25 HD1 HIS 25 21.511 3.230 -19.794
171 HD2 HIS 25 HD2 HIS 25 22.835 0.620 -22.743
172 HE1 HIS 25 HE1 HIS 25 23.212 1.755 -18.673
Start of MODEL 9
1 H1 THR 1 H THR 1 2.215 0.698 0.241
2 HA THR 1 HA THR 1 2.719 0.937 -2.003
3 HB THR 1 HB THR 1 2.698 -2.071 -2.010
4 HG1 THR 1 HG1 THR 1 4.573 -2.044 -0.805
5 HG21 THR 1 3HG2 THR 1 5.013 -0.540 -2.978
6 HG22 THR 1 1HG2 THR 1 3.521 -0.273 -3.879
7 HG23 THR 1 2HG2 THR 1 4.169 -1.904 -3.711
8 H GLY 2 H GLY 2 0.068 -1.257 -1.338
9 HA2 GLY 2 2HA GLY 2 -0.808 -1.682 -3.978
10 HA3 GLY 2 3HA GLY 2 -1.810 -1.801 -2.539
11 H ASN 3 H ASN 3 -1.565 0.878 -1.658
12 HA ASN 3 HA ASN 3 -3.008 2.282 -3.811
13 HB2 ASN 3 2HB ASN 3 -4.337 1.562 -1.748
14 HB3 ASN 3 3HB ASN 3 -3.413 2.772 -0.862
15 HD21 ASN 3 1HD2 ASN 3 -5.476 2.356 -3.701
16 HD22 ASN 3 2HD2 ASN 3 -6.193 3.926 -3.627
17 H VAL 4 H VAL 4 -0.211 2.248 -2.045
18 HA VAL 4 HA VAL 4 0.102 5.121 -1.786
19 HB VAL 4 HB VAL 4 2.200 2.996 -1.356
20 HG11 VAL 4 1HG1 VAL 4 1.956 5.891 -0.594
21 HG12 VAL 4 2HG1 VAL 4 3.062 4.793 0.235
22 HG13 VAL 4 3HG1 VAL 4 3.246 5.094 -1.494
23 HG21 VAL 4 3HG2 VAL 4 0.447 2.389 0.101
24 HG22 VAL 4 1HG2 VAL 4 1.581 3.313 1.086
25 HG23 VAL 4 2HG2 VAL 4 0.096 4.069 0.507
26 H GLY 5 H GLY 5 0.514 2.818 -4.207
27 HA2 GLY 5 2HA GLY 5 2.465 4.544 -5.604
28 HA3 GLY 5 3HA GLY 5 2.355 2.807 -5.845
29 H LEU 6 H LEU 6 -0.348 5.063 -5.617
30 HA LEU 6 HA LEU 6 -1.315 4.119 -8.189
31 HB2 LEU 6 2HB LEU 6 -2.461 5.356 -5.811
32 HB3 LEU 6 3HB LEU 6 -3.094 6.026 -7.313
33 HG LEU 6 HG LEU 6 -4.462 4.185 -6.344
34 HD11 LEU 6 1HD1 LEU 6 -4.262 4.811 -8.832
35 HD12 LEU 6 2HD1 LEU 6 -5.013 3.273 -8.409
36 HD13 LEU 6 3HD1 LEU 6 -3.345 3.311 -8.982
37 HD21 LEU 6 3HD2 LEU 6 -2.247 2.933 -5.697
38 HD22 LEU 6 1HD2 LEU 6 -2.426 2.236 -7.307
39 HD23 LEU 6 2HD2 LEU 6 -3.706 2.033 -6.111
40 H SER 7 H SER 7 -1.424 7.392 -6.811
41 HA SER 7 HA SER 7 -1.235 8.625 -9.361
42 HB2 SER 7 2HB SER 7 -1.594 9.470 -6.599
43 HB3 SER 7 3HB SER 7 -0.546 10.572 -7.493
44 HG SER 7 HG SER 7 -2.903 9.704 -8.717
45 HA PRO 8 HA PRO 8 3.261 9.761 -7.986
46 HB2 PRO 8 2HB PRO 8 4.261 8.450 -5.830
47 HB3 PRO 8 3HB PRO 8 3.384 9.980 -5.703
48 HG2 PRO 8 2HG PRO 8 2.399 7.189 -5.251
49 HG3 PRO 8 3HG PRO 8 2.089 8.653 -4.299
50 HD2 PRO 8 2HD PRO 8 0.302 7.665 -6.077
51 HD3 PRO 8 3HD PRO 8 0.462 9.403 -5.749
52 H GLY 9 H GLY 9 1.875 6.717 -8.321
53 HA2 GLY 9 2HA GLY 9 4.463 5.498 -9.052
54 HA3 GLY 9 3HA GLY 9 3.037 4.592 -8.569
55 H LEU 10 H LEU 10 1.324 6.403 -10.234
56 HA LEU 10 HA LEU 10 1.533 4.872 -12.665
57 HB2 LEU 10 2HB LEU 10 -0.647 5.328 -11.728
58 HB3 LEU 10 3HB LEU 10 -0.356 7.064 -11.822
59 HG LEU 10 HG LEU 10 -0.109 6.495 -14.406
60 HD11 LEU 10 1HD1 LEU 10 -1.735 4.255 -13.253
61 HD12 LEU 10 2HD1 LEU 10 -0.417 4.183 -14.422
62 HD13 LEU 10 3HD1 LEU 10 -1.987 4.826 -14.903
63 HD21 LEU 10 3HD2 LEU 10 -2.553 7.004 -14.614
64 HD22 LEU 10 1HD2 LEU 10 -1.649 8.120 -13.590
65 HD23 LEU 10 2HD2 LEU 10 -2.665 6.878 -12.858
66 H SER 11 H SER 11 2.087 8.198 -11.657
67 HA SER 11 HA SER 11 2.645 9.094 -14.346
68 HB2 SER 11 2HB SER 11 1.958 10.346 -11.927
69 HB3 SER 11 3HB SER 11 3.594 10.894 -12.290
70 HG SER 11 HG SER 11 2.897 11.869 -14.067
71 H THR 12 H THR 12 4.379 7.654 -11.779
72 HA THR 12 HA THR 12 6.969 8.649 -12.627
73 HB THR 12 HB THR 12 6.238 6.586 -10.540
74 HG1 THR 12 HG1 THR 12 7.323 9.149 -10.051
75 HG21 THR 12 3HG2 THR 12 8.894 7.816 -11.271
76 HG22 THR 12 1HG2 THR 12 8.456 6.109 -11.316
77 HG23 THR 12 2HG2 THR 12 8.595 6.943 -9.768
78 H ALA 13 H ALA 13 4.919 5.940 -13.221
79 HA ALA 13 HA ALA 13 7.088 4.335 -14.328
80 HB1 ALA 13 1HB ALA 13 5.039 2.791 -14.842
81 HB2 ALA 13 2HB ALA 13 5.668 2.925 -13.199
82 HB3 ALA 13 3HB ALA 13 4.226 3.825 -13.667
83 H LEU 14 H LEU 14 4.299 6.205 -15.358
84 HA LEU 14 HA LEU 14 4.462 5.387 -18.102
85 HB2 LEU 14 2HB LEU 14 2.510 6.488 -16.617
86 HB3 LEU 14 3HB LEU 14 3.132 7.933 -17.412
87 HG LEU 14 HG LEU 14 2.274 5.492 -18.947
88 HD11 LEU 14 1HD1 LEU 14 0.259 7.230 -19.340
89 HD12 LEU 14 2HD1 LEU 14 0.643 7.577 -17.655
90 HD13 LEU 14 3HD1 LEU 14 0.218 5.937 -18.141
91 HD21 LEU 14 3HD2 LEU 14 3.283 8.164 -19.582
92 HD22 LEU 14 1HD2 LEU 14 1.832 7.708 -20.476
93 HD23 LEU 14 2HD2 LEU 14 3.271 6.691 -20.554
94 H THR 15 H THR 15 6.241 7.499 -16.186
95 HA THR 15 HA THR 15 6.990 9.221 -18.435
96 HB THR 15 HB THR 15 7.691 9.429 -15.500
97 HG1 THR 15 HG1 THR 15 5.468 9.989 -16.527
98 HG21 THR 15 3HG2 THR 15 9.344 10.790 -16.117
99 HG22 THR 15 1HG2 THR 15 8.140 11.867 -16.824
100 HG23 THR 15 2HG2 THR 15 8.903 10.624 -17.816
101 H GLY 16 H GLY 16 8.282 6.800 -16.242
102 HA2 GLY 16 2HA GLY 16 10.896 6.993 -17.584
103 HA3 GLY 16 3HA GLY 16 10.609 6.233 -16.026
104 H PHE 17 H PHE 17 8.076 5.193 -17.682
105 HA PHE 17 HA PHE 17 8.489 2.593 -17.820
106 HB2 PHE 17 2HB PHE 17 7.064 2.446 -19.826
107 HB3 PHE 17 3HB PHE 17 6.443 3.620 -18.671
108 HD1 PHE 17 HD1 PHE 17 7.521 6.079 -19.092
109 HD2 PHE 17 HD2 PHE 17 6.924 3.051 -22.023
110 HE1 PHE 17 HE1 PHE 17 7.489 7.796 -20.854
111 HE2 PHE 17 HE2 PHE 17 6.892 4.763 -23.790
112 HZ PHE 17 HZ PHE 17 7.176 7.138 -23.207
113 H THR 18 H THR 18 9.516 4.708 -20.500
114 HA THR 18 HA THR 18 11.456 2.627 -21.271
115 HB THR 18 HB THR 18 10.318 4.756 -23.087
116 HG1 THR 18 HG1 THR 18 8.979 3.106 -23.881
117 HG21 THR 18 3HG2 THR 18 12.454 3.944 -23.843
118 HG22 THR 18 1HG2 THR 18 11.197 3.239 -24.860
119 HG23 THR 18 2HG2 THR 18 11.955 2.271 -23.594
120 H LEU 19 H LEU 19 11.064 5.788 -20.109
121 HA LEU 19 HA LEU 19 13.549 6.831 -21.143
122 HB2 LEU 19 2HB LEU 19 11.388 7.826 -19.356
123 HB3 LEU 19 3HB LEU 19 12.967 8.605 -19.279
124 HG LEU 19 HG LEU 19 12.767 9.021 -21.752
125 HD11 LEU 19 1HD1 LEU 19 11.135 8.040 -22.882
126 HD12 LEU 19 2HD1 LEU 19 9.961 8.988 -21.970
127 HD13 LEU 19 3HD1 LEU 19 10.447 7.395 -21.391
128 HD21 LEU 19 3HD2 LEU 19 11.105 10.257 -19.630
129 HD22 LEU 19 1HD2 LEU 19 10.782 10.729 -21.298
130 HD23 LEU 19 2HD2 LEU 19 12.393 10.953 -20.616
131 H VAL 20 H VAL 20 12.610 4.863 -18.549
132 HA VAL 20 HA VAL 20 14.646 5.638 -16.688
133 HB VAL 20 HB VAL 20 12.757 3.312 -16.859
134 HG11 VAL 20 1HG1 VAL 20 13.798 2.825 -14.487
135 HG12 VAL 20 2HG1 VAL 20 14.485 2.118 -15.950
136 HG13 VAL 20 3HG1 VAL 20 15.232 3.540 -15.222
137 HG21 VAL 20 3HG2 VAL 20 11.539 4.458 -15.373
138 HG22 VAL 20 1HG2 VAL 20 12.951 4.850 -14.391
139 HG23 VAL 20 2HG2 VAL 20 12.550 5.840 -15.795
140 HA PRO 21 HA PRO 21 16.784 1.606 -18.302
141 HB2 PRO 21 2HB PRO 21 15.823 0.545 -20.609
142 HB3 PRO 21 3HB PRO 21 15.220 0.081 -19.014
143 HG2 PRO 21 2HG PRO 21 14.057 2.001 -20.994
144 HG3 PRO 21 3HG PRO 21 13.237 0.774 -20.011
145 HD2 PRO 21 2HD PRO 21 13.251 3.399 -19.349
146 HD3 PRO 21 3HD PRO 21 13.222 2.108 -18.132
147 H VAL 22 H VAL 22 15.629 4.108 -20.407
148 HA VAL 22 HA VAL 22 18.006 3.896 -22.111
149 HB VAL 22 HB VAL 22 15.591 5.680 -22.450
150 HG11 VAL 22 1HG1 VAL 22 16.519 5.751 -24.836
151 HG12 VAL 22 2HG1 VAL 22 17.356 6.697 -23.604
152 HG13 VAL 22 3HG1 VAL 22 18.020 5.151 -24.132
153 HG21 VAL 22 3HG2 VAL 22 15.114 3.232 -22.616
154 HG22 VAL 22 1HG2 VAL 22 14.806 4.135 -24.100
155 HG23 VAL 22 2HG2 VAL 22 16.264 3.153 -23.952
156 H GLU 23 H GLU 23 16.878 5.551 -19.407
157 HA GLU 23 HA GLU 23 17.864 8.136 -19.754
158 HB2 GLU 23 2HB GLU 23 16.785 8.189 -17.787
159 HB3 GLU 23 3HB GLU 23 17.013 6.466 -17.525
160 HG2 GLU 23 2HG GLU 23 19.199 6.838 -16.606
161 HG3 GLU 23 3HG GLU 23 19.113 8.554 -16.999
162 H ASP 24 H ASP 24 19.528 5.164 -19.354
163 HA ASP 24 HA ASP 24 21.966 6.253 -18.318
164 HB2 ASP 24 2HB ASP 24 21.302 3.601 -19.604
165 HB3 ASP 24 3HB ASP 24 22.903 4.004 -18.990
166 H HIS 25 H HIS 25 20.495 6.498 -21.280
167 HA HIS 25 HA HIS 25 22.922 6.421 -22.874
168 HB2 HIS 25 2HB HIS 25 20.243 5.981 -23.442
169 HB3 HIS 25 3HB HIS 25 20.567 7.551 -24.173
170 HD1 HIS 25 HD1 HIS 25 23.467 7.012 -25.137
171 HD2 HIS 25 HD2 HIS 25 20.271 4.413 -25.677
172 HE1 HIS 25 HE1 HIS 25 24.090 5.580 -27.109
Start of MODEL 10
1 H1 THR 1 H THR 1 0.312 0.942 1.650
2 HA THR 1 HA THR 1 1.528 1.729 -0.113
3 HB THR 1 HB THR 1 2.896 -0.632 -0.953
4 HG1 THR 1 HG1 THR 1 2.599 -0.350 1.870
5 HG21 THR 1 3HG2 THR 1 3.468 1.951 0.328
6 HG22 THR 1 1HG2 THR 1 4.305 1.129 -0.988
7 HG23 THR 1 2HG2 THR 1 4.630 0.675 0.685
8 H GLY 2 H GLY 2 -0.126 -1.313 -0.684
9 HA2 GLY 2 2HA GLY 2 0.066 -1.486 -3.454
10 HA3 GLY 2 3HA GLY 2 -1.287 -2.087 -2.507
11 H ASN 3 H ASN 3 -1.953 0.588 -1.486
12 HA ASN 3 HA ASN 3 -3.262 1.601 -3.916
13 HB2 ASN 3 2HB ASN 3 -4.046 1.847 -1.005
14 HB3 ASN 3 3HB ASN 3 -4.894 2.640 -2.328
15 HD21 ASN 3 1HD2 ASN 3 -6.788 1.624 -2.389
16 HD22 ASN 3 2HD2 ASN 3 -6.998 -0.082 -2.561
17 H VAL 4 H VAL 4 -0.735 2.270 -1.888
18 HA VAL 4 HA VAL 4 -1.029 5.174 -2.002
19 HB VAL 4 HB VAL 4 1.247 3.602 -0.796
20 HG11 VAL 4 1HG1 VAL 4 1.959 5.806 -1.068
21 HG12 VAL 4 2HG1 VAL 4 0.370 6.467 -0.680
22 HG13 VAL 4 3HG1 VAL 4 1.367 5.761 0.592
23 HG21 VAL 4 3HG2 VAL 4 -0.352 4.635 1.250
24 HG22 VAL 4 1HG2 VAL 4 -1.471 3.887 0.110
25 HG23 VAL 4 2HG2 VAL 4 -0.154 2.940 0.802
26 H GLY 5 H GLY 5 0.299 2.681 -3.834
27 HA2 GLY 5 2HA GLY 5 2.321 4.464 -5.025
28 HA3 GLY 5 3HA GLY 5 2.318 2.711 -5.157
29 H LEU 6 H LEU 6 -0.657 4.439 -5.542
30 HA LEU 6 HA LEU 6 -0.840 3.515 -8.283
31 HB2 LEU 6 2HB LEU 6 -2.732 3.284 -6.722
32 HB3 LEU 6 3HB LEU 6 -2.829 5.040 -6.607
33 HG LEU 6 HG LEU 6 -3.019 4.000 -9.342
34 HD11 LEU 6 1HD1 LEU 6 -4.806 3.015 -7.197
35 HD12 LEU 6 2HD1 LEU 6 -4.331 2.258 -8.717
36 HD13 LEU 6 3HD1 LEU 6 -5.557 3.525 -8.709
37 HD21 LEU 6 3HD2 LEU 6 -4.126 5.914 -9.628
38 HD22 LEU 6 1HD2 LEU 6 -3.627 6.323 -7.986
39 HD23 LEU 6 2HD2 LEU 6 -5.205 5.588 -8.271
40 H SER 7 H SER 7 -0.780 6.588 -6.534
41 HA SER 7 HA SER 7 -0.957 8.128 -8.976
42 HB2 SER 7 2HB SER 7 -0.130 9.774 -6.818
43 HB3 SER 7 3HB SER 7 -1.732 9.669 -7.548
44 HG SER 7 HG SER 7 -2.108 9.100 -5.501
45 HA PRO 8 HA PRO 8 3.595 9.193 -7.752
46 HB2 PRO 8 2HB PRO 8 4.725 7.725 -5.767
47 HB3 PRO 8 3HB PRO 8 3.837 9.224 -5.468
48 HG2 PRO 8 2HG PRO 8 2.913 6.389 -5.199
49 HG3 PRO 8 3HG PRO 8 2.636 7.764 -4.114
50 HD2 PRO 8 2HD PRO 8 0.768 6.896 -5.872
51 HD3 PRO 8 3HD PRO 8 0.924 8.603 -5.409
52 H GLY 9 H GLY 9 2.245 6.129 -8.205
53 HA2 GLY 9 2HA GLY 9 4.801 5.011 -9.159
54 HA3 GLY 9 3HA GLY 9 3.385 4.064 -8.729
55 H LEU 10 H LEU 10 1.612 5.980 -10.168
56 HA LEU 10 HA LEU 10 1.766 4.696 -12.736
57 HB2 LEU 10 2HB LEU 10 -0.392 5.044 -11.751
58 HB3 LEU 10 3HB LEU 10 -0.098 6.775 -11.608
59 HG LEU 10 HG LEU 10 0.125 6.011 -14.355
60 HD11 LEU 10 1HD1 LEU 10 -2.034 5.139 -14.819
61 HD12 LEU 10 2HD1 LEU 10 -2.532 5.299 -13.135
62 HD13 LEU 10 3HD1 LEU 10 -1.314 4.105 -13.584
63 HD21 LEU 10 3HD2 LEU 10 -0.400 8.248 -13.415
64 HD22 LEU 10 1HD2 LEU 10 -1.986 7.636 -12.945
65 HD23 LEU 10 2HD2 LEU 10 -1.542 7.715 -14.650
66 H SER 11 H SER 11 2.265 7.954 -11.471
67 HA SER 11 HA SER 11 2.784 9.077 -14.070
68 HB2 SER 11 2HB SER 11 3.721 10.555 -11.692
69 HB3 SER 11 3HB SER 11 2.704 11.094 -13.028
70 HG SER 11 HG SER 11 1.929 10.471 -10.610
71 H THR 12 H THR 12 4.593 7.414 -11.696
72 HA THR 12 HA THR 12 7.156 8.490 -12.523
73 HB THR 12 HB THR 12 6.430 6.293 -10.581
74 HG1 THR 12 HG1 THR 12 6.078 8.587 -10.034
75 HG21 THR 12 3HG2 THR 12 8.836 6.404 -9.914
76 HG22 THR 12 1HG2 THR 12 9.138 7.383 -11.349
77 HG23 THR 12 2HG2 THR 12 8.568 5.722 -11.518
78 H ALA 13 H ALA 13 5.092 5.838 -13.302
79 HA ALA 13 HA ALA 13 7.225 4.340 -14.606
80 HB1 ALA 13 1HB ALA 13 5.803 2.853 -13.572
81 HB2 ALA 13 2HB ALA 13 4.361 3.790 -13.969
82 HB3 ALA 13 3HB ALA 13 5.176 2.852 -15.221
83 H LEU 14 H LEU 14 4.421 6.302 -15.407
84 HA LEU 14 HA LEU 14 4.532 5.752 -18.217
85 HB2 LEU 14 2HB LEU 14 2.842 7.216 -16.398
86 HB3 LEU 14 3HB LEU 14 3.186 8.172 -17.838
87 HG LEU 14 HG LEU 14 1.105 6.957 -18.096
88 HD11 LEU 14 1HD1 LEU 14 1.700 6.967 -20.235
89 HD12 LEU 14 2HD1 LEU 14 2.274 5.315 -20.012
90 HD13 LEU 14 3HD1 LEU 14 3.391 6.668 -19.832
91 HD21 LEU 14 3HD2 LEU 14 2.741 4.726 -17.093
92 HD22 LEU 14 1HD2 LEU 14 1.637 4.329 -18.410
93 HD23 LEU 14 2HD2 LEU 14 1.013 5.039 -16.921
94 H THR 15 H THR 15 6.367 7.661 -16.146
95 HA THR 15 HA THR 15 7.085 9.588 -18.231
96 HB THR 15 HB THR 15 7.868 9.489 -15.312
97 HG1 THR 15 HG1 THR 15 6.219 10.809 -15.011
98 HG21 THR 15 3HG2 THR 15 8.298 12.045 -16.416
99 HG22 THR 15 1HG2 THR 15 9.042 10.891 -17.522
100 HG23 THR 15 2HG2 THR 15 9.508 10.909 -15.821
101 H GLY 16 H GLY 16 8.422 6.968 -16.299
102 HA2 GLY 16 2HA GLY 16 10.993 7.259 -17.704
103 HA3 GLY 16 3HA GLY 16 10.743 6.359 -16.215
104 H PHE 17 H PHE 17 8.152 5.506 -17.895
105 HA PHE 17 HA PHE 17 8.524 2.926 -18.283
106 HB2 PHE 17 2HB PHE 17 7.046 2.976 -20.248
107 HB3 PHE 17 3HB PHE 17 6.478 4.071 -18.991
108 HD1 PHE 17 HD2 PHE 17 7.626 6.529 -19.250
109 HD2 PHE 17 HD1 PHE 17 6.849 3.756 -22.384
110 HE1 PHE 17 HE2 PHE 17 7.594 8.377 -20.874
111 HE2 PHE 17 HE1 PHE 17 6.817 5.600 -24.013
112 HZ PHE 17 HZ PHE 17 7.189 7.914 -23.258
113 H THR 18 H THR 18 9.542 5.275 -20.763
114 HA THR 18 HA THR 18 11.425 3.246 -21.776
115 HB THR 18 HB THR 18 10.285 5.558 -23.351
116 HG1 THR 18 HG1 THR 18 9.556 2.872 -23.786
117 HG21 THR 18 3HG2 THR 18 11.109 4.204 -25.281
118 HG22 THR 18 1HG2 THR 18 11.889 3.122 -24.128
119 HG23 THR 18 2HG2 THR 18 12.392 4.809 -24.233
120 H LEU 19 H LEU 19 11.115 6.280 -20.298
121 HA LEU 19 HA LEU 19 13.597 7.381 -21.281
122 HB2 LEU 19 2HB LEU 19 11.477 8.231 -19.379
123 HB3 LEU 19 3HB LEU 19 13.074 8.959 -19.220
124 HG LEU 19 HG LEU 19 11.668 10.406 -20.525
125 HD11 LEU 19 1HD1 LEU 19 13.449 10.914 -21.738
126 HD12 LEU 19 2HD1 LEU 19 13.086 9.592 -22.848
127 HD13 LEU 19 3HD1 LEU 19 14.111 9.306 -21.441
128 HD21 LEU 19 3HD2 LEU 19 11.361 8.386 -22.691
129 HD22 LEU 19 1HD2 LEU 19 10.356 9.779 -22.294
130 HD23 LEU 19 2HD2 LEU 19 10.271 8.321 -21.306
131 H VAL 20 H VAL 20 12.681 5.173 -18.883
132 HA VAL 20 HA VAL 20 14.761 5.731 -16.992
133 HB VAL 20 HB VAL 20 12.859 3.436 -17.366
134 HG11 VAL 20 1HG1 VAL 20 14.584 2.169 -16.567
135 HG12 VAL 20 2HG1 VAL 20 15.343 3.526 -15.733
136 HG13 VAL 20 3HG1 VAL 20 13.914 2.754 -15.045
137 HG21 VAL 20 3HG2 VAL 20 12.815 5.877 -15.945
138 HG22 VAL 20 1HG2 VAL 20 11.609 4.590 -15.940
139 HG23 VAL 20 2HG2 VAL 20 12.914 4.581 -14.753
140 HA PRO 21 HA PRO 21 16.818 1.863 -19.053
141 HB2 PRO 21 2HB PRO 21 15.801 1.055 -21.437
142 HB3 PRO 21 3HB PRO 21 15.221 0.436 -19.886
143 HG2 PRO 21 2HG PRO 21 14.047 2.562 -21.636
144 HG3 PRO 21 3HG PRO 21 13.229 1.249 -20.768
145 HD2 PRO 21 2HD PRO 21 13.289 3.792 -19.841
146 HD3 PRO 21 3HD PRO 21 13.266 2.383 -18.762
147 H VAL 22 H VAL 22 15.645 4.569 -20.885
148 HA VAL 22 HA VAL 22 17.990 4.510 -22.643
149 HB VAL 22 HB VAL 22 15.600 6.355 -22.750
150 HG11 VAL 22 1HG1 VAL 22 18.049 6.024 -24.418
151 HG12 VAL 22 2HG1 VAL 22 16.538 6.508 -25.192
152 HG13 VAL 22 3HG1 VAL 22 17.226 7.497 -23.903
153 HG21 VAL 22 3HG2 VAL 22 15.065 3.946 -23.137
154 HG22 VAL 22 1HG2 VAL 22 14.749 4.990 -24.523
155 HG23 VAL 22 2HG2 VAL 22 16.186 3.969 -24.498
156 H GLU 23 H GLU 23 16.934 5.896 -19.762
157 HA GLU 23 HA GLU 23 17.954 8.490 -19.867
158 HB2 GLU 23 2HB GLU 23 16.904 8.362 -17.888
159 HB3 GLU 23 3HB GLU 23 17.109 6.619 -17.802
160 HG2 GLU 23 2HG GLU 23 19.312 6.866 -16.884
161 HG3 GLU 23 3HG GLU 23 19.250 8.613 -17.106
162 H ASP 24 H ASP 24 19.575 5.468 -19.786
163 HA ASP 24 HA ASP 24 22.114 6.744 -19.046
164 HB2 ASP 24 2HB ASP 24 21.291 3.841 -19.195
165 HB3 ASP 24 3HB ASP 24 22.951 4.364 -18.921
166 H HIS 25 H HIS 25 20.349 5.985 -21.740
167 HA HIS 25 HA HIS 25 22.753 5.557 -23.386
168 HB2 HIS 25 2HB HIS 25 20.392 4.111 -23.343
169 HB3 HIS 25 3HB HIS 25 20.193 5.168 -24.738
170 HD1 HIS 25 HD1 HIS 25 22.975 5.180 -25.922
171 HD2 HIS 25 HD2 HIS 25 21.161 1.754 -24.427
172 HE1 HIS 25 HE1 HIS 25 24.134 3.257 -27.054
Start of MODEL 11
1 H1 THR 1 H THR 1 1.260 -1.333 0.159
2 HA THR 1 HA THR 1 2.133 1.323 -0.778
3 HB THR 1 HB THR 1 3.674 -0.903 -1.849
4 HG1 THR 1 HG1 THR 1 4.776 -1.225 0.227
5 HG21 THR 1 3HG2 THR 1 5.517 0.510 -1.366
6 HG22 THR 1 1HG2 THR 1 4.600 1.417 -0.164
7 HG23 THR 1 2HG2 THR 1 4.207 1.574 -1.877
8 H GLY 2 H GLY 2 0.934 -1.855 -1.724
9 HA2 GLY 2 2HA GLY 2 0.979 -1.557 -4.498
10 HA3 GLY 2 3HA GLY 2 -0.158 -2.563 -3.613
11 H ASN 3 H ASN 3 -1.058 -0.047 -2.156
12 HA ASN 3 HA ASN 3 -2.730 1.026 -4.333
13 HB2 ASN 3 2HB ASN 3 -3.834 -0.480 -2.547
14 HB3 ASN 3 3HB ASN 3 -3.625 0.891 -1.462
15 HD21 ASN 3 1HD2 ASN 3 -5.332 -0.381 -4.177
16 HD22 ASN 3 2HD2 ASN 3 -6.512 0.875 -4.293
17 H VAL 4 H VAL 4 -0.344 1.748 -2.156
18 HA VAL 4 HA VAL 4 -1.221 4.489 -1.657
19 HB VAL 4 HB VAL 4 1.356 3.192 -0.771
20 HG11 VAL 4 1HG1 VAL 4 0.802 5.038 1.089
21 HG12 VAL 4 2HG1 VAL 4 1.752 5.383 -0.358
22 HG13 VAL 4 3HG1 VAL 4 0.038 5.797 -0.307
23 HG21 VAL 4 3HG2 VAL 4 0.089 1.898 0.540
24 HG22 VAL 4 1HG2 VAL 4 -0.269 3.369 1.445
25 HG23 VAL 4 2HG2 VAL 4 -1.371 2.820 0.182
26 H GLY 5 H GLY 5 0.533 2.766 -3.956
27 HA2 GLY 5 2HA GLY 5 2.004 5.198 -4.763
28 HA3 GLY 5 3HA GLY 5 2.551 3.563 -5.104
29 H LEU 6 H LEU 6 -0.742 4.786 -5.442
30 HA LEU 6 HA LEU 6 -0.836 3.829 -8.161
31 HB2 LEU 6 2HB LEU 6 -2.745 3.534 -6.679
32 HB3 LEU 6 3HB LEU 6 -2.886 5.281 -6.493
33 HG LEU 6 HG LEU 6 -3.027 4.471 -9.276
34 HD11 LEU 6 1HD1 LEU 6 -4.962 3.184 -9.289
35 HD12 LEU 6 2HD1 LEU 6 -5.337 3.552 -7.606
36 HD13 LEU 6 3HD1 LEU 6 -4.005 2.464 -7.994
37 HD21 LEU 6 3HD2 LEU 6 -5.024 5.871 -7.505
38 HD22 LEU 6 1HD2 LEU 6 -4.942 5.914 -9.266
39 HD23 LEU 6 2HD2 LEU 6 -3.670 6.669 -8.306
40 H SER 7 H SER 7 -0.821 6.945 -6.512
41 HA SER 7 HA SER 7 -1.076 8.402 -9.006
42 HB2 SER 7 2HB SER 7 -0.322 10.154 -6.911
43 HB3 SER 7 3HB SER 7 -1.920 9.952 -7.628
44 HG SER 7 HG SER 7 -1.676 9.579 -5.268
45 HA PRO 8 HA PRO 8 3.426 9.678 -7.806
46 HB2 PRO 8 2HB PRO 8 4.593 8.347 -5.748
47 HB3 PRO 8 3HB PRO 8 3.649 9.823 -5.524
48 HG2 PRO 8 2HG PRO 8 2.828 6.972 -5.130
49 HG3 PRO 8 3HG PRO 8 2.491 8.384 -4.112
50 HD2 PRO 8 2HD PRO 8 0.671 7.367 -5.839
51 HD3 PRO 8 3HD PRO 8 0.760 9.098 -5.455
52 H GLY 9 H GLY 9 2.186 6.566 -8.161
53 HA2 GLY 9 2HA GLY 9 4.792 5.503 -9.047
54 HA3 GLY 9 3HA GLY 9 3.420 4.517 -8.561
55 H LEU 10 H LEU 10 1.574 6.306 -10.091
56 HA LEU 10 HA LEU 10 1.755 4.887 -12.585
57 HB2 LEU 10 2HB LEU 10 -0.411 5.222 -11.625
58 HB3 LEU 10 3HB LEU 10 -0.163 6.965 -11.551
59 HG LEU 10 HG LEU 10 -0.079 5.701 -14.232
60 HD11 LEU 10 1HD1 LEU 10 -2.274 5.181 -14.413
61 HD12 LEU 10 2HD1 LEU 10 -2.772 6.376 -13.216
62 HD13 LEU 10 3HD1 LEU 10 -2.082 4.840 -12.693
63 HD21 LEU 10 3HD2 LEU 10 0.103 8.224 -13.442
64 HD22 LEU 10 1HD2 LEU 10 -1.655 8.115 -13.525
65 HD23 LEU 10 2HD2 LEU 10 -0.682 7.775 -14.956
66 H SER 11 H SER 11 2.117 8.240 -11.522
67 HA SER 11 HA SER 11 2.612 9.224 -14.175
68 HB2 SER 11 2HB SER 11 1.721 10.897 -12.847
69 HB3 SER 11 3HB SER 11 2.634 10.398 -11.423
70 HG SER 11 HG SER 11 3.583 12.249 -12.150
71 H THR 12 H THR 12 4.484 7.768 -11.709
72 HA THR 12 HA THR 12 7.008 8.861 -12.632
73 HB THR 12 HB THR 12 6.414 6.738 -10.561
74 HG1 THR 12 HG1 THR 12 7.437 9.340 -10.102
75 HG21 THR 12 3HG2 THR 12 8.981 7.914 -11.564
76 HG22 THR 12 1HG2 THR 12 8.585 6.230 -11.224
77 HG23 THR 12 2HG2 THR 12 8.844 7.361 -9.895
78 H ALA 13 H ALA 13 5.015 6.111 -13.217
79 HA ALA 13 HA ALA 13 7.183 4.577 -14.419
80 HB1 ALA 13 1HB ALA 13 4.429 4.007 -13.540
81 HB2 ALA 13 2HB ALA 13 4.984 3.120 -14.960
82 HB3 ALA 13 3HB ALA 13 5.882 3.013 -13.446
83 H LEU 14 H LEU 14 4.347 6.431 -15.346
84 HA LEU 14 HA LEU 14 4.462 5.684 -18.112
85 HB2 LEU 14 2HB LEU 14 2.732 7.206 -16.395
86 HB3 LEU 14 3HB LEU 14 3.076 8.112 -17.867
87 HG LEU 14 HG LEU 14 1.011 6.827 -18.065
88 HD11 LEU 14 1HD1 LEU 14 2.062 5.251 -20.016
89 HD12 LEU 14 2HD1 LEU 14 3.339 6.448 -19.802
90 HD13 LEU 14 3HD1 LEU 14 1.699 6.968 -20.191
91 HD21 LEU 14 3HD2 LEU 14 2.700 4.713 -16.971
92 HD22 LEU 14 1HD2 LEU 14 1.749 4.206 -18.367
93 HD23 LEU 14 2HD2 LEU 14 0.944 4.889 -16.954
94 H THR 15 H THR 15 6.265 7.763 -16.184
95 HA THR 15 HA THR 15 6.945 9.552 -18.402
96 HB THR 15 HB THR 15 7.731 9.684 -15.484
97 HG1 THR 15 HG1 THR 15 5.678 10.807 -17.023
98 HG21 THR 15 3HG2 THR 15 8.081 12.162 -16.796
99 HG22 THR 15 1HG2 THR 15 8.876 10.939 -17.786
100 HG23 THR 15 2HG2 THR 15 9.319 11.124 -16.089
101 H GLY 16 H GLY 16 8.329 7.106 -16.284
102 HA2 GLY 16 2HA GLY 16 10.900 7.352 -17.695
103 HA3 GLY 16 3HA GLY 16 10.658 6.545 -16.153
104 H PHE 17 H PHE 17 8.095 5.530 -17.780
105 HA PHE 17 HA PHE 17 8.520 2.940 -18.001
106 HB2 PHE 17 2HB PHE 17 7.053 2.834 -19.973
107 HB3 PHE 17 3HB PHE 17 6.455 3.992 -18.790
108 HD1 PHE 17 HD2 PHE 17 7.548 6.454 -19.198
109 HD2 PHE 17 HD1 PHE 17 6.856 3.472 -22.155
110 HE1 PHE 17 HE2 PHE 17 7.486 8.195 -20.935
111 HE2 PHE 17 HE1 PHE 17 6.795 5.208 -23.897
112 HZ PHE 17 HZ PHE 17 7.109 7.574 -23.288
113 H THR 18 H THR 18 9.502 5.143 -20.625
114 HA THR 18 HA THR 18 11.434 3.092 -21.494
115 HB THR 18 HB THR 18 10.241 5.265 -23.223
116 HG1 THR 18 HG1 THR 18 8.761 3.812 -23.871
117 HG21 THR 18 3HG2 THR 18 11.119 3.820 -25.058
118 HG22 THR 18 1HG2 THR 18 11.923 2.835 -23.836
119 HG23 THR 18 2HG2 THR 18 12.377 4.526 -24.044
120 H LEU 19 H LEU 19 11.047 6.214 -20.229
121 HA LEU 19 HA LEU 19 13.509 7.301 -21.275
122 HB2 LEU 19 2HB LEU 19 11.363 8.230 -19.438
123 HB3 LEU 19 3HB LEU 19 12.943 9.004 -19.329
124 HG LEU 19 HG LEU 19 11.496 10.320 -20.731
125 HD11 LEU 19 1HD1 LEU 19 13.981 9.246 -21.551
126 HD12 LEU 19 2HD1 LEU 19 13.265 10.802 -21.973
127 HD13 LEU 19 3HD1 LEU 19 12.962 9.389 -22.984
128 HD21 LEU 19 3HD2 LEU 19 10.168 8.149 -21.381
129 HD22 LEU 19 1HD2 LEU 19 11.270 8.149 -22.758
130 HD23 LEU 19 2HD2 LEU 19 10.221 9.537 -22.468
131 H VAL 20 H VAL 20 12.635 5.234 -18.742
132 HA VAL 20 HA VAL 20 14.688 5.967 -16.881
133 HB VAL 20 HB VAL 20 12.850 3.602 -17.114
134 HG11 VAL 20 1HG1 VAL 20 14.638 2.459 -16.238
135 HG12 VAL 20 2HG1 VAL 20 15.298 3.887 -15.437
136 HG13 VAL 20 3HG1 VAL 20 13.886 3.070 -14.765
137 HG21 VAL 20 3HG2 VAL 20 12.722 6.130 -15.864
138 HG22 VAL 20 1HG2 VAL 20 11.558 4.809 -15.773
139 HG23 VAL 20 2HG2 VAL 20 12.855 4.925 -14.584
140 HA PRO 21 HA PRO 21 16.854 2.029 -18.681
141 HB2 PRO 21 2HB PRO 21 15.877 1.050 -21.017
142 HB3 PRO 21 3HB PRO 21 15.299 0.515 -19.435
143 HG2 PRO 21 2HG PRO 21 14.089 2.500 -21.321
144 HG3 PRO 21 3HG PRO 21 13.296 1.223 -20.380
145 HD2 PRO 21 2HD PRO 21 13.287 3.819 -19.611
146 HD3 PRO 21 3HD PRO 21 13.289 2.479 -18.447
147 H VAL 22 H VAL 22 15.629 4.582 -20.691
148 HA VAL 22 HA VAL 22 17.991 4.475 -22.423
149 HB VAL 22 HB VAL 22 15.559 6.251 -22.662
150 HG11 VAL 22 1HG1 VAL 22 18.036 5.885 -24.275
151 HG12 VAL 22 2HG1 VAL 22 16.524 6.251 -25.108
152 HG13 VAL 22 3HG1 VAL 22 17.149 7.359 -23.886
153 HG21 VAL 22 3HG2 VAL 22 16.213 3.770 -24.245
154 HG22 VAL 22 1HG2 VAL 22 15.076 3.816 -22.898
155 HG23 VAL 22 2HG2 VAL 22 14.755 4.756 -24.355
156 H GLU 23 H GLU 23 16.877 6.010 -19.642
157 HA GLU 23 HA GLU 23 17.818 8.619 -19.891
158 HB2 GLU 23 2HB GLU 23 16.790 8.569 -17.898
159 HB3 GLU 23 3HB GLU 23 17.043 6.838 -17.724
160 HG2 GLU 23 2HG GLU 23 19.249 7.197 -16.841
161 HG3 GLU 23 3HG GLU 23 19.127 8.929 -17.143
162 H ASP 24 H ASP 24 19.542 5.659 -19.633
163 HA ASP 24 HA ASP 24 22.059 7.152 -19.278
164 HB2 ASP 24 2HB ASP 24 21.350 4.349 -18.399
165 HB3 ASP 24 3HB ASP 24 22.993 4.982 -18.399
166 H HIS 25 H HIS 25 20.192 5.487 -21.447
167 HA HIS 25 HA HIS 25 22.517 4.533 -22.977
168 HB2 HIS 25 2HB HIS 25 20.532 2.978 -22.355
169 HB3 HIS 25 3HB HIS 25 19.668 3.834 -23.628
170 HD1 HIS 25 HD1 HIS 25 19.563 2.104 -25.425
171 HD2 HIS 25 HD2 HIS 25 23.393 2.542 -23.875
172 HE1 HIS 25 HE1 HIS 25 21.046 0.696 -26.888
Start of MODEL 12
1 H1 THR 1 H THR 1 2.217 0.869 0.073
2 HA THR 1 HA THR 1 2.950 2.129 -1.726
3 HB THR 1 HB THR 1 4.276 -0.476 -2.471
4 HG1 THR 1 HG1 THR 1 5.884 0.225 -0.896
5 HG21 THR 1 3HG2 THR 1 6.185 1.131 -2.934
6 HG22 THR 1 1HG2 THR 1 5.008 2.431 -2.758
7 HG23 THR 1 2HG2 THR 1 4.807 1.227 -4.030
8 H GLY 2 H GLY 2 1.775 -1.056 -2.743
9 HA2 GLY 2 2HA GLY 2 1.507 -0.388 -5.493
10 HA3 GLY 2 3HA GLY 2 0.751 -1.751 -4.681
11 H ASN 3 H ASN 3 -0.509 0.135 -2.715
12 HA ASN 3 HA ASN 3 -2.633 1.150 -4.488
13 HB2 ASN 3 2HB ASN 3 -2.823 -0.107 -1.748
14 HB3 ASN 3 3HB ASN 3 -4.154 0.773 -2.493
15 HD21 ASN 3 1HD2 ASN 3 -2.596 -2.189 -2.196
16 HD22 ASN 3 2HD2 ASN 3 -3.441 -3.044 -3.437
17 H VAL 4 H VAL 4 -0.202 2.050 -2.431
18 HA VAL 4 HA VAL 4 -1.606 4.453 -1.488
19 HB VAL 4 HB VAL 4 1.132 3.497 -0.651
20 HG11 VAL 4 1HG1 VAL 4 0.414 4.939 1.389
21 HG12 VAL 4 2HG1 VAL 4 1.014 5.731 -0.069
22 HG13 VAL 4 3HG1 VAL 4 -0.719 5.664 0.250
23 HG21 VAL 4 3HG2 VAL 4 -1.525 3.032 0.704
24 HG22 VAL 4 1HG2 VAL 4 -0.532 1.805 -0.084
25 HG23 VAL 4 2HG2 VAL 4 0.056 2.618 1.366
26 H GLY 5 H GLY 5 0.485 3.392 -3.903
27 HA2 GLY 5 2HA GLY 5 1.459 6.150 -4.339
28 HA3 GLY 5 3HA GLY 5 2.394 4.723 -4.762
29 H LEU 6 H LEU 6 -1.058 5.281 -5.292
30 HA LEU 6 HA LEU 6 -0.934 4.379 -7.973
31 HB2 LEU 6 2HB LEU 6 -2.967 4.112 -6.775
32 HB3 LEU 6 3HB LEU 6 -3.049 5.834 -6.407
33 HG LEU 6 HG LEU 6 -3.432 6.275 -8.824
34 HD11 LEU 6 1HD1 LEU 6 -4.013 4.448 -10.296
35 HD12 LEU 6 2HD1 LEU 6 -3.714 3.279 -9.011
36 HD13 LEU 6 3HD1 LEU 6 -2.378 4.219 -9.675
37 HD21 LEU 6 3HD2 LEU 6 -5.222 5.756 -6.967
38 HD22 LEU 6 1HD2 LEU 6 -5.529 4.341 -7.974
39 HD23 LEU 6 2HD2 LEU 6 -5.693 5.960 -8.655
40 H SER 7 H SER 7 -0.909 7.565 -6.490
41 HA SER 7 HA SER 7 -1.063 8.926 -9.038
42 HB2 SER 7 2HB SER 7 -1.991 10.385 -7.574
43 HB3 SER 7 3HB SER 7 -1.140 9.690 -6.195
44 HG SER 7 HG SER 7 -0.497 11.865 -6.737
45 HA PRO 8 HA PRO 8 3.503 10.009 -7.881
46 HB2 PRO 8 2HB PRO 8 4.607 8.670 -5.794
47 HB3 PRO 8 3HB PRO 8 3.742 10.200 -5.604
48 HG2 PRO 8 2HG PRO 8 2.775 7.406 -5.137
49 HG3 PRO 8 3HG PRO 8 2.517 8.858 -4.153
50 HD2 PRO 8 2HD PRO 8 0.639 7.895 -5.849
51 HD3 PRO 8 3HD PRO 8 0.820 9.628 -5.509
52 H GLY 9 H GLY 9 2.112 6.932 -8.097
53 HA2 GLY 9 2HA GLY 9 4.651 5.720 -8.979
54 HA3 GLY 9 3HA GLY 9 3.228 4.823 -8.469
55 H LEU 10 H LEU 10 1.485 6.676 -10.049
56 HA LEU 10 HA LEU 10 1.581 5.180 -12.502
57 HB2 LEU 10 2HB LEU 10 -0.571 5.629 -11.642
58 HB3 LEU 10 3HB LEU 10 -0.217 7.344 -11.449
59 HG LEU 10 HG LEU 10 0.017 6.630 -14.213
60 HD11 LEU 10 1HD1 LEU 10 -2.397 5.612 -12.773
61 HD12 LEU 10 2HD1 LEU 10 -1.458 4.857 -14.061
62 HD13 LEU 10 3HD1 LEU 10 -2.529 6.209 -14.428
63 HD21 LEU 10 3HD2 LEU 10 -0.375 8.870 -13.567
64 HD22 LEU 10 1HD2 LEU 10 -1.778 8.423 -12.597
65 HD23 LEU 10 2HD2 LEU 10 -1.855 8.323 -14.356
66 H SER 11 H SER 11 2.145 8.534 -11.534
67 HA SER 11 HA SER 11 2.693 9.415 -14.211
68 HB2 SER 11 2HB SER 11 1.905 10.756 -12.046
69 HB3 SER 11 3HB SER 11 3.645 10.979 -11.858
70 HG SER 11 HG SER 11 2.791 12.655 -13.099
71 H THR 12 H THR 12 4.484 7.916 -11.707
72 HA THR 12 HA THR 12 7.066 8.815 -12.676
73 HB THR 12 HB THR 12 6.347 6.807 -10.532
74 HG1 THR 12 HG1 THR 12 5.953 9.163 -10.222
75 HG21 THR 12 3HG2 THR 12 8.951 7.661 -11.690
76 HG22 THR 12 1HG2 THR 12 8.461 6.094 -11.049
77 HG23 THR 12 2HG2 THR 12 8.862 7.410 -9.946
78 H ALA 13 H ALA 13 4.895 6.189 -13.175
79 HA ALA 13 HA ALA 13 6.953 4.476 -14.329
80 HB1 ALA 13 1HB ALA 13 4.134 4.121 -13.494
81 HB2 ALA 13 2HB ALA 13 4.718 3.109 -14.815
82 HB3 ALA 13 3HB ALA 13 5.532 3.073 -13.251
83 H LEU 14 H LEU 14 4.243 6.484 -15.310
84 HA LEU 14 HA LEU 14 4.295 5.646 -18.051
85 HB2 LEU 14 2HB LEU 14 2.684 7.340 -16.380
86 HB3 LEU 14 3HB LEU 14 3.086 8.174 -17.879
87 HG LEU 14 HG LEU 14 0.933 7.030 -18.028
88 HD11 LEU 14 1HD1 LEU 14 1.811 5.360 -19.957
89 HD12 LEU 14 2HD1 LEU 14 3.223 6.397 -19.761
90 HD13 LEU 14 3HD1 LEU 14 1.658 7.106 -20.155
91 HD21 LEU 14 3HD2 LEU 14 2.432 4.882 -16.806
92 HD22 LEU 14 1HD2 LEU 14 1.598 4.342 -18.264
93 HD23 LEU 14 2HD2 LEU 14 0.687 5.097 -16.955
94 H THR 15 H THR 15 6.242 7.663 -16.192
95 HA THR 15 HA THR 15 7.039 9.325 -18.469
96 HB THR 15 HB THR 15 7.837 9.493 -15.557
97 HG1 THR 15 HG1 THR 15 5.656 10.147 -16.112
98 HG21 THR 15 3HG2 THR 15 8.382 11.894 -16.929
99 HG22 THR 15 1HG2 THR 15 9.065 10.592 -17.901
100 HG23 THR 15 2HG2 THR 15 9.538 10.773 -16.212
101 H GLY 16 H GLY 16 8.256 6.854 -16.280
102 HA2 GLY 16 2HA GLY 16 10.830 6.872 -17.707
103 HA3 GLY 16 3HA GLY 16 10.543 6.139 -16.135
104 H PHE 17 H PHE 17 7.905 5.254 -17.722
105 HA PHE 17 HA PHE 17 8.143 2.633 -17.850
106 HB2 PHE 17 2HB PHE 17 6.663 2.561 -19.813
107 HB3 PHE 17 3HB PHE 17 6.155 3.800 -18.671
108 HD1 PHE 17 HD2 PHE 17 7.418 6.162 -19.169
109 HD2 PHE 17 HD1 PHE 17 6.502 3.133 -22.016
110 HE1 PHE 17 HE2 PHE 17 7.472 7.841 -20.967
111 HE2 PHE 17 HE1 PHE 17 6.556 4.807 -23.819
112 HZ PHE 17 HZ PHE 17 7.041 7.164 -23.296
113 H THR 18 H THR 18 9.265 4.664 -20.555
114 HA THR 18 HA THR 18 11.043 2.452 -21.353
115 HB THR 18 HB THR 18 10.008 4.643 -23.158
116 HG1 THR 18 HG1 THR 18 9.005 2.076 -22.542
117 HG21 THR 18 3HG2 THR 18 12.062 3.722 -23.977
118 HG22 THR 18 1HG2 THR 18 10.750 3.036 -24.935
119 HG23 THR 18 2HG2 THR 18 11.511 2.076 -23.665
120 H LEU 19 H LEU 19 10.889 5.631 -20.193
121 HA LEU 19 HA LEU 19 13.417 6.503 -21.283
122 HB2 LEU 19 2HB LEU 19 11.350 7.648 -19.479
123 HB3 LEU 19 3HB LEU 19 12.982 8.311 -19.400
124 HG LEU 19 HG LEU 19 11.637 9.679 -20.847
125 HD11 LEU 19 1HD1 LEU 19 14.018 8.374 -21.647
126 HD12 LEU 19 2HD1 LEU 19 13.433 9.972 -22.107
127 HD13 LEU 19 3HD1 LEU 19 13.000 8.562 -23.074
128 HD21 LEU 19 3HD2 LEU 19 10.281 8.934 -22.535
129 HD22 LEU 19 1HD2 LEU 19 10.142 7.587 -21.405
130 HD23 LEU 19 2HD2 LEU 19 11.222 7.464 -22.794
131 H VAL 20 H VAL 20 12.406 4.598 -18.675
132 HA VAL 20 HA VAL 20 14.515 5.246 -16.846
133 HB VAL 20 HB VAL 20 12.506 3.018 -16.988
134 HG11 VAL 20 1HG1 VAL 20 13.518 2.500 -14.621
135 HG12 VAL 20 2HG1 VAL 20 14.204 1.773 -16.075
136 HG13 VAL 20 3HG1 VAL 20 14.981 3.174 -15.337
137 HG21 VAL 20 3HG2 VAL 20 12.629 4.428 -14.507
138 HG22 VAL 20 1HG2 VAL 20 12.572 5.590 -15.833
139 HG23 VAL 20 2HG2 VAL 20 11.315 4.363 -15.681
140 HA PRO 21 HA PRO 21 16.379 1.096 -18.501
141 HB2 PRO 21 2HB PRO 21 15.322 0.105 -20.797
142 HB3 PRO 21 3HB PRO 21 14.714 -0.327 -19.194
143 HG2 PRO 21 2HG PRO 21 13.643 1.668 -21.151
144 HG3 PRO 21 3HG PRO 21 12.763 0.489 -20.161
145 HD2 PRO 21 2HD PRO 21 12.947 3.106 -19.491
146 HD3 PRO 21 3HD PRO 21 12.857 1.814 -18.277
147 H VAL 22 H VAL 22 15.335 3.656 -20.602
148 HA VAL 22 HA VAL 22 17.672 3.311 -22.337
149 HB VAL 22 HB VAL 22 15.376 5.253 -22.631
150 HG11 VAL 22 1HG1 VAL 22 16.509 4.816 -25.106
151 HG12 VAL 22 2HG1 VAL 22 16.760 6.233 -24.084
152 HG13 VAL 22 3HG1 VAL 22 17.902 4.890 -24.028
153 HG21 VAL 22 3HG2 VAL 22 14.715 2.851 -22.780
154 HG22 VAL 22 1HG2 VAL 22 14.457 3.763 -24.267
155 HG23 VAL 22 2HG2 VAL 22 15.838 2.676 -24.128
156 H GLU 23 H GLU 23 16.693 5.024 -19.609
157 HA GLU 23 HA GLU 23 17.837 7.543 -19.966
158 HB2 GLU 23 2HB GLU 23 16.794 7.660 -17.983
159 HB3 GLU 23 3HB GLU 23 16.910 5.925 -17.729
160 HG2 GLU 23 2HG GLU 23 19.130 6.149 -16.841
161 HG3 GLU 23 3HG GLU 23 19.151 7.869 -17.227
162 H ASP 24 H ASP 24 19.312 4.469 -19.596
163 HA ASP 24 HA ASP 24 21.830 5.396 -18.593
164 HB2 ASP 24 2HB ASP 24 20.882 3.035 -18.384
165 HB3 ASP 24 3HB ASP 24 21.352 2.808 -20.066
166 H HIS 25 H HIS 25 20.335 5.742 -21.533
167 HA HIS 25 HA HIS 25 21.017 6.355 -23.615
168 HB2 HIS 25 2HB HIS 25 23.275 7.253 -21.869
169 HB3 HIS 25 3HB HIS 25 23.448 7.368 -23.618
170 HD1 HIS 25 HD1 HIS 25 21.636 8.864 -20.726
171 HD2 HIS 25 HD2 HIS 25 21.801 9.287 -24.856
172 HE1 HIS 25 HE1 HIS 25 20.431 11.013 -21.231
Start of MODEL 13
1 H1 THR 1 H THR 1 1.357 0.296 -0.579
2 HA THR 1 HA THR 1 2.856 2.048 -1.641
3 HB THR 1 HB THR 1 4.602 -0.245 -2.425
4 HG1 THR 1 HG1 THR 1 5.284 -0.466 -0.442
5 HG21 THR 1 3HG2 THR 1 4.602 2.656 -2.592
6 HG22 THR 1 1HG2 THR 1 5.534 1.475 -3.510
7 HG23 THR 1 2HG2 THR 1 6.113 2.025 -1.938
8 H GLY 2 H GLY 2 1.979 -1.275 -2.379
9 HA2 GLY 2 2HA GLY 2 1.881 -1.022 -5.193
10 HA3 GLY 2 3HA GLY 2 1.038 -2.235 -4.241
11 H ASN 3 H ASN 3 -0.416 -0.222 -2.674
12 HA ASN 3 HA ASN 3 -2.286 0.698 -4.758
13 HB2 ASN 3 2HB ASN 3 -2.905 -0.368 -1.996
14 HB3 ASN 3 3HB ASN 3 -4.096 0.354 -3.073
15 HD21 ASN 3 1HD2 ASN 3 -5.170 -0.965 -4.352
16 HD22 ASN 3 2HD2 ASN 3 -4.700 -2.572 -4.777
17 H VAL 4 H VAL 4 -0.156 1.673 -2.421
18 HA VAL 4 HA VAL 4 -1.672 4.058 -1.657
19 HB VAL 4 HB VAL 4 1.078 3.248 -0.713
20 HG11 VAL 4 1HG1 VAL 4 -0.623 5.537 -0.274
21 HG12 VAL 4 2HG1 VAL 4 -0.265 4.709 1.243
22 HG13 VAL 4 3HG1 VAL 4 1.051 5.271 0.211
23 HG21 VAL 4 3HG2 VAL 4 -1.638 2.435 0.223
24 HG22 VAL 4 1HG2 VAL 4 -0.169 1.473 0.063
25 HG23 VAL 4 2HG2 VAL 4 -0.331 2.618 1.393
26 H GLY 5 H GLY 5 0.550 3.057 -3.981
27 HA2 GLY 5 2HA GLY 5 1.462 5.837 -4.402
28 HA3 GLY 5 3HA GLY 5 2.401 4.422 -4.854
29 H LEU 6 H LEU 6 -1.059 4.884 -5.360
30 HA LEU 6 HA LEU 6 -0.908 4.084 -8.071
31 HB2 LEU 6 2HB LEU 6 -2.910 3.735 -6.763
32 HB3 LEU 6 3HB LEU 6 -3.102 5.473 -6.540
33 HG LEU 6 HG LEU 6 -3.049 4.710 -9.347
34 HD11 LEU 6 1HD1 LEU 6 -5.431 3.749 -7.797
35 HD12 LEU 6 2HD1 LEU 6 -4.089 2.679 -8.205
36 HD13 LEU 6 3HD1 LEU 6 -5.019 3.457 -9.487
37 HD21 LEU 6 3HD2 LEU 6 -3.784 6.884 -8.234
38 HD22 LEU 6 1HD2 LEU 6 -5.261 6.024 -7.799
39 HD23 LEU 6 2HD2 LEU 6 -4.828 6.231 -9.496
40 H SER 7 H SER 7 -0.886 7.196 -6.473
41 HA SER 7 HA SER 7 -1.144 8.644 -8.977
42 HB2 SER 7 2HB SER 7 -0.376 10.398 -6.886
43 HB3 SER 7 3HB SER 7 -1.972 10.214 -7.614
44 HG SER 7 HG SER 7 -2.327 9.729 -5.537
45 HA PRO 8 HA PRO 8 3.367 9.883 -7.774
46 HB2 PRO 8 2HB PRO 8 4.514 8.560 -5.700
47 HB3 PRO 8 3HB PRO 8 3.583 10.048 -5.493
48 HG2 PRO 8 2HG PRO 8 2.733 7.208 -5.075
49 HG3 PRO 8 3HG PRO 8 2.407 8.633 -4.071
50 HD2 PRO 8 2HD PRO 8 0.583 7.618 -5.795
51 HD3 PRO 8 3HD PRO 8 0.688 9.351 -5.427
52 H GLY 9 H GLY 9 2.102 6.770 -8.084
53 HA2 GLY 9 2HA GLY 9 4.698 5.678 -8.960
54 HA3 GLY 9 3HA GLY 9 3.318 4.710 -8.465
55 H LEU 10 H LEU 10 1.500 6.518 -10.023
56 HA LEU 10 HA LEU 10 1.667 5.062 -12.499
57 HB2 LEU 10 2HB LEU 10 -0.494 5.443 -11.527
58 HB3 LEU 10 3HB LEU 10 -0.228 7.185 -11.512
59 HG LEU 10 HG LEU 10 -0.044 6.066 -14.188
60 HD11 LEU 10 1HD1 LEU 10 -2.148 5.206 -14.502
61 HD12 LEU 10 2HD1 LEU 10 -2.808 6.003 -13.074
62 HD13 LEU 10 3HD1 LEU 10 -1.769 4.589 -12.893
63 HD21 LEU 10 3HD2 LEU 10 -1.501 8.280 -12.794
64 HD22 LEU 10 1HD2 LEU 10 -1.884 7.853 -14.461
65 HD23 LEU 10 2HD2 LEU 10 -0.253 8.375 -14.037
66 H SER 11 H SER 11 2.085 8.416 -11.465
67 HA SER 11 HA SER 11 2.590 9.367 -14.131
68 HB2 SER 11 2HB SER 11 1.612 10.913 -12.569
69 HB3 SER 11 3HB SER 11 2.920 10.655 -11.414
70 HG SER 11 HG SER 11 3.277 11.739 -14.012
71 H THR 12 H THR 12 4.437 7.917 -11.642
72 HA THR 12 HA THR 12 6.976 8.970 -12.570
73 HB THR 12 HB THR 12 6.352 6.881 -10.475
74 HG1 THR 12 HG1 THR 12 7.233 9.583 -10.226
75 HG21 THR 12 3HG2 THR 12 8.548 6.450 -11.363
76 HG22 THR 12 1HG2 THR 12 8.724 7.226 -9.790
77 HG23 THR 12 2HG2 THR 12 8.970 8.159 -11.266
78 H ALA 13 H ALA 13 4.950 6.244 -13.138
79 HA ALA 13 HA ALA 13 7.104 4.666 -14.309
80 HB1 ALA 13 1HB ALA 13 5.662 3.291 -13.119
81 HB2 ALA 13 2HB ALA 13 4.223 4.131 -13.697
82 HB3 ALA 13 3HB ALA 13 5.126 3.079 -14.786
83 H LEU 14 H LEU 14 4.291 6.538 -15.271
84 HA LEU 14 HA LEU 14 4.407 5.759 -18.026
85 HB2 LEU 14 2HB LEU 14 2.698 7.337 -16.334
86 HB3 LEU 14 3HB LEU 14 3.055 8.207 -17.824
87 HG LEU 14 HG LEU 14 0.981 6.972 -18.033
88 HD11 LEU 14 1HD1 LEU 14 1.601 6.856 -20.162
89 HD12 LEU 14 2HD1 LEU 14 2.176 5.221 -19.833
90 HD13 LEU 14 3HD1 LEU 14 3.288 6.585 -19.723
91 HD21 LEU 14 3HD2 LEU 14 2.613 4.808 -16.883
92 HD22 LEU 14 1HD2 LEU 14 1.519 4.332 -18.182
93 HD23 LEU 14 2HD2 LEU 14 0.883 5.129 -16.742
94 H THR 15 H THR 15 6.224 7.848 -16.114
95 HA THR 15 HA THR 15 6.941 9.595 -18.353
96 HB THR 15 HB THR 15 7.715 9.748 -15.434
97 HG1 THR 15 HG1 THR 15 6.202 11.355 -15.330
98 HG21 THR 15 3HG2 THR 15 9.342 11.137 -16.054
99 HG22 THR 15 1HG2 THR 15 8.128 12.205 -16.754
100 HG23 THR 15 2HG2 THR 15 8.888 10.963 -17.749
101 H GLY 16 H GLY 16 8.282 7.151 -16.207
102 HA2 GLY 16 2HA GLY 16 10.858 7.341 -17.618
103 HA3 GLY 16 3HA GLY 16 10.605 6.564 -16.062
104 H PHE 17 H PHE 17 8.028 5.564 -17.682
105 HA PHE 17 HA PHE 17 8.412 2.962 -17.856
106 HB2 PHE 17 2HB PHE 17 6.948 2.846 -19.829
107 HB3 PHE 17 3HB PHE 17 6.366 4.034 -18.668
108 HD1 PHE 17 HD2 PHE 17 7.500 6.471 -19.116
109 HD2 PHE 17 HD1 PHE 17 6.766 3.449 -22.022
110 HE1 PHE 17 HE2 PHE 17 7.471 8.182 -20.883
111 HE2 PHE 17 HE1 PHE 17 6.736 5.156 -23.794
112 HZ PHE 17 HZ PHE 17 7.088 7.526 -23.226
113 H THR 18 H THR 18 9.436 5.105 -20.514
114 HA THR 18 HA THR 18 11.337 3.010 -21.343
115 HB THR 18 HB THR 18 10.192 5.174 -23.114
116 HG1 THR 18 HG1 THR 18 9.449 2.427 -22.904
117 HG21 THR 18 3HG2 THR 18 12.296 4.382 -23.938
118 HG22 THR 18 1HG2 THR 18 11.029 3.641 -24.915
119 HG23 THR 18 2HG2 THR 18 11.835 2.703 -23.658
120 H LEU 19 H LEU 19 10.999 6.153 -20.125
121 HA LEU 19 HA LEU 19 13.480 7.185 -21.184
122 HB2 LEU 19 2HB LEU 19 11.343 8.180 -19.373
123 HB3 LEU 19 3HB LEU 19 12.934 8.930 -19.269
124 HG LEU 19 HG LEU 19 11.527 10.250 -20.699
125 HD11 LEU 19 1HD1 LEU 19 13.311 10.663 -21.945
126 HD12 LEU 19 2HD1 LEU 19 12.963 9.248 -22.937
127 HD13 LEU 19 3HD1 LEU 19 13.981 9.092 -21.506
128 HD21 LEU 19 3HD2 LEU 19 10.144 8.102 -21.305
129 HD22 LEU 19 1HD2 LEU 19 11.244 8.045 -22.683
130 HD23 LEU 19 2HD2 LEU 19 10.232 9.466 -22.421
131 H VAL 20 H VAL 20 12.563 5.180 -18.615
132 HA VAL 20 HA VAL 20 14.624 5.911 -16.763
133 HB VAL 20 HB VAL 20 12.738 3.581 -16.956
134 HG11 VAL 20 1HG1 VAL 20 14.627 2.489 -16.115
135 HG12 VAL 20 2HG1 VAL 20 15.121 3.886 -15.157
136 HG13 VAL 20 3HG1 VAL 20 13.713 2.938 -14.676
137 HG21 VAL 20 3HG2 VAL 20 12.659 6.130 -15.755
138 HG22 VAL 20 1HG2 VAL 20 11.476 4.829 -15.622
139 HG23 VAL 20 2HG2 VAL 20 12.786 4.953 -14.447
140 HA PRO 21 HA PRO 21 16.721 1.899 -18.479
141 HB2 PRO 21 2HB PRO 21 15.730 0.890 -20.796
142 HB3 PRO 21 3HB PRO 21 15.140 0.398 -19.204
143 HG2 PRO 21 2HG PRO 21 13.968 2.364 -21.133
144 HG3 PRO 21 3HG PRO 21 13.151 1.122 -20.166
145 HD2 PRO 21 2HD PRO 21 13.188 3.733 -19.452
146 HD3 PRO 21 3HD PRO 21 13.164 2.418 -18.260
147 H VAL 22 H VAL 22 15.549 4.437 -20.536
148 HA VAL 22 HA VAL 22 17.912 4.251 -22.262
149 HB VAL 22 HB VAL 22 15.510 6.060 -22.549
150 HG11 VAL 22 1HG1 VAL 22 17.975 5.599 -24.163
151 HG12 VAL 22 2HG1 VAL 22 16.469 6.010 -24.986
152 HG13 VAL 22 3HG1 VAL 22 17.144 7.107 -23.781
153 HG21 VAL 22 3HG2 VAL 22 16.127 3.532 -24.071
154 HG22 VAL 22 1HG2 VAL 22 14.986 3.629 -22.730
155 HG23 VAL 22 2HG2 VAL 22 14.687 4.541 -24.210
156 H GLU 23 H GLU 23 16.814 5.863 -19.518
157 HA GLU 23 HA GLU 23 17.795 8.451 -19.820
158 HB2 GLU 23 2HB GLU 23 16.765 8.460 -17.828
159 HB3 GLU 23 3HB GLU 23 16.989 6.729 -17.618
160 HG2 GLU 23 2HG GLU 23 19.190 7.062 -16.729
161 HG3 GLU 23 3HG GLU 23 19.116 8.788 -17.083
162 H ASP 24 H ASP 24 19.476 5.475 -19.509
163 HA ASP 24 HA ASP 24 22.014 6.938 -19.188
164 HB2 ASP 24 2HB ASP 24 21.306 5.356 -17.297
165 HB3 ASP 24 3HB ASP 24 21.625 4.047 -18.432
166 H HIS 25 H HIS 25 20.121 5.240 -21.305
167 HA HIS 25 HA HIS 25 22.411 4.140 -22.781
168 HB2 HIS 25 2HB HIS 25 20.413 2.671 -22.223
169 HB3 HIS 25 3HB HIS 25 19.491 3.647 -23.363
170 HD1 HIS 25 HD1 HIS 25 20.191 3.470 -25.894
171 HD2 HIS 25 HD2 HIS 25 22.065 0.769 -23.354
172 HE1 HIS 25 HE1 HIS 25 21.207 1.728 -27.397
Start of MODEL 14
1 H1 THR 1 H THR 1 1.225 0.521 1.512
2 HA THR 1 HA THR 1 1.594 2.178 -0.210
3 HB THR 1 HB THR 1 3.945 0.500 -0.815
4 HG1 THR 1 HG1 THR 1 3.758 1.429 1.832
5 HG21 THR 1 3HG2 THR 1 5.115 2.476 -0.504
6 HG22 THR 1 1HG2 THR 1 3.938 3.114 0.643
7 HG23 THR 1 2HG2 THR 1 3.556 3.064 -1.078
8 H GLY 2 H GLY 2 1.415 -1.135 -1.267
9 HA2 GLY 2 2HA GLY 2 2.050 -0.836 -3.976
10 HA3 GLY 2 3HA GLY 2 0.982 -2.067 -3.318
11 H ASN 3 H ASN 3 -0.953 -0.206 -2.252
12 HA ASN 3 HA ASN 3 -2.225 0.566 -4.784
13 HB2 ASN 3 2HB ASN 3 -3.412 -0.014 -2.063
14 HB3 ASN 3 3HB ASN 3 -4.343 0.548 -3.448
15 HD21 ASN 3 1HD2 ASN 3 -3.962 -2.051 -1.755
16 HD22 ASN 3 2HD2 ASN 3 -3.988 -3.284 -2.965
17 H VAL 4 H VAL 4 -0.551 1.909 -2.267
18 HA VAL 4 HA VAL 4 -2.090 4.387 -2.167
19 HB VAL 4 HB VAL 4 0.493 3.764 -0.737
20 HG11 VAL 4 1HG1 VAL 4 0.167 6.078 -0.688
21 HG12 VAL 4 2HG1 VAL 4 -1.580 5.920 -0.494
22 HG13 VAL 4 3HG1 VAL 4 -0.503 5.518 0.844
23 HG21 VAL 4 3HG2 VAL 4 -2.277 2.926 -0.183
24 HG22 VAL 4 1HG2 VAL 4 -0.748 2.202 0.315
25 HG23 VAL 4 2HG2 VAL 4 -1.391 3.593 1.188
26 H GLY 5 H GLY 5 0.409 3.035 -3.972
27 HA2 GLY 5 2HA GLY 5 1.619 5.647 -4.566
28 HA3 GLY 5 3HA GLY 5 2.302 4.083 -4.984
29 H LEU 6 H LEU 6 -1.059 4.862 -5.533
30 HA LEU 6 HA LEU 6 -0.904 4.159 -8.274
31 HB2 LEU 6 2HB LEU 6 -2.928 3.885 -6.913
32 HB3 LEU 6 3HB LEU 6 -3.077 5.637 -6.795
33 HG LEU 6 HG LEU 6 -2.974 4.758 -9.554
34 HD11 LEU 6 1HD1 LEU 6 -4.857 3.425 -9.716
35 HD12 LEU 6 2HD1 LEU 6 -5.429 3.855 -8.105
36 HD13 LEU 6 3HD1 LEU 6 -4.049 2.773 -8.290
37 HD21 LEU 6 3HD2 LEU 6 -3.851 6.920 -8.300
38 HD22 LEU 6 1HD2 LEU 6 -5.360 6.007 -8.303
39 HD23 LEU 6 2HD2 LEU 6 -4.552 6.379 -9.826
40 H SER 7 H SER 7 -0.665 7.173 -6.549
41 HA SER 7 HA SER 7 -0.882 8.752 -8.982
42 HB2 SER 7 2HB SER 7 -1.766 10.128 -7.422
43 HB3 SER 7 3HB SER 7 -0.971 9.283 -6.094
44 HG SER 7 HG SER 7 0.309 11.111 -7.849
45 HA PRO 8 HA PRO 8 3.696 9.697 -7.780
46 HB2 PRO 8 2HB PRO 8 4.782 8.262 -5.747
47 HB3 PRO 8 3HB PRO 8 3.933 9.792 -5.497
48 HG2 PRO 8 2HG PRO 8 2.934 6.992 -5.146
49 HG3 PRO 8 3HG PRO 8 2.690 8.405 -4.103
50 HD2 PRO 8 2HD PRO 8 0.805 7.533 -5.841
51 HD3 PRO 8 3HD PRO 8 1.004 9.249 -5.430
52 H GLY 9 H GLY 9 2.267 6.660 -8.150
53 HA2 GLY 9 2HA GLY 9 4.796 5.453 -9.068
54 HA3 GLY 9 3HA GLY 9 3.363 4.551 -8.599
55 H LEU 10 H LEU 10 1.642 6.487 -10.101
56 HA LEU 10 HA LEU 10 1.729 5.096 -12.616
57 HB2 LEU 10 2HB LEU 10 -0.406 5.578 -11.622
58 HB3 LEU 10 3HB LEU 10 -0.041 7.302 -11.578
59 HG LEU 10 HG LEU 10 0.160 6.579 -14.270
60 HD11 LEU 10 1HD1 LEU 10 -1.129 4.499 -13.339
61 HD12 LEU 10 2HD1 LEU 10 -1.633 5.269 -14.843
62 HD13 LEU 10 3HD1 LEU 10 -2.501 5.608 -13.346
63 HD21 LEU 10 3HD2 LEU 10 -0.774 8.646 -13.039
64 HD22 LEU 10 1HD2 LEU 10 -2.304 7.770 -13.053
65 HD23 LEU 10 2HD2 LEU 10 -1.505 8.172 -14.573
66 H SER 11 H SER 11 2.314 8.402 -11.503
67 HA SER 11 HA SER 11 2.874 9.393 -14.139
68 HB2 SER 11 2HB SER 11 1.995 10.759 -12.168
69 HB3 SER 11 3HB SER 11 3.642 10.722 -11.540
70 HG SER 11 HG SER 11 4.334 11.888 -13.264
71 H THR 12 H THR 12 4.649 7.780 -11.693
72 HA THR 12 HA THR 12 7.239 8.702 -12.620
73 HB THR 12 HB THR 12 6.512 6.607 -10.564
74 HG1 THR 12 HG1 THR 12 7.427 9.298 -10.341
75 HG21 THR 12 3HG2 THR 12 9.063 7.347 -11.798
76 HG22 THR 12 1HG2 THR 12 8.627 5.910 -10.875
77 HG23 THR 12 2HG2 THR 12 9.079 7.393 -10.035
78 H ALA 13 H ALA 13 5.052 6.118 -13.237
79 HA ALA 13 HA ALA 13 7.102 4.437 -14.449
80 HB1 ALA 13 1HB ALA 13 4.159 4.049 -13.969
81 HB2 ALA 13 2HB ALA 13 5.136 2.915 -14.900
82 HB3 ALA 13 3HB ALA 13 5.510 3.214 -13.203
83 H LEU 14 H LEU 14 4.407 6.499 -15.359
84 HA LEU 14 HA LEU 14 4.465 5.773 -18.130
85 HB2 LEU 14 2HB LEU 14 2.864 7.419 -16.397
86 HB3 LEU 14 3HB LEU 14 3.267 8.294 -17.873
87 HG LEU 14 HG LEU 14 1.108 7.168 -18.052
88 HD11 LEU 14 1HD1 LEU 14 3.393 6.566 -19.805
89 HD12 LEU 14 2HD1 LEU 14 1.833 7.299 -20.177
90 HD13 LEU 14 3HD1 LEU 14 1.970 5.547 -20.028
91 HD21 LEU 14 3HD2 LEU 14 2.601 4.971 -16.904
92 HD22 LEU 14 1HD2 LEU 14 1.740 4.486 -18.365
93 HD23 LEU 14 2HD2 LEU 14 0.858 5.212 -17.022
94 H THR 15 H THR 15 6.422 7.694 -16.186
95 HA THR 15 HA THR 15 7.234 9.447 -18.388
96 HB THR 15 HB THR 15 8.027 9.484 -15.470
97 HG1 THR 15 HG1 THR 15 5.899 10.205 -15.828
98 HG21 THR 15 3HG2 THR 15 9.271 10.671 -17.762
99 HG22 THR 15 1HG2 THR 15 9.741 10.777 -16.066
100 HG23 THR 15 2HG2 THR 15 8.596 11.938 -16.738
101 H GLY 16 H GLY 16 8.430 6.877 -16.304
102 HA2 GLY 16 2HA GLY 16 11.006 6.936 -17.727
103 HA3 GLY 16 3HA GLY 16 10.713 6.142 -16.187
104 H PHE 17 H PHE 17 8.070 5.340 -17.810
105 HA PHE 17 HA PHE 17 8.290 2.725 -18.043
106 HB2 PHE 17 2HB PHE 17 6.811 2.743 -20.009
107 HB3 PHE 17 3HB PHE 17 6.310 3.939 -18.818
108 HD1 PHE 17 HD2 PHE 17 7.592 6.309 -19.219
109 HD2 PHE 17 HD1 PHE 17 6.654 3.406 -22.187
110 HE1 PHE 17 HE2 PHE 17 7.660 8.059 -20.948
111 HE2 PHE 17 HE1 PHE 17 6.721 5.151 -23.920
112 HZ PHE 17 HZ PHE 17 7.223 7.481 -23.302
113 H THR 18 H THR 18 9.429 4.856 -20.663
114 HA THR 18 HA THR 18 11.191 2.665 -21.550
115 HB THR 18 HB THR 18 10.180 4.938 -23.265
116 HG1 THR 18 HG1 THR 18 9.226 2.268 -22.976
117 HG21 THR 18 3HG2 THR 18 12.232 4.011 -24.103
118 HG22 THR 18 1HG2 THR 18 10.911 3.416 -25.107
119 HG23 THR 18 2HG2 THR 18 11.633 2.367 -23.887
120 H LEU 19 H LEU 19 11.060 5.795 -20.260
121 HA LEU 19 HA LEU 19 13.596 6.691 -21.311
122 HB2 LEU 19 2HB LEU 19 11.537 7.777 -19.463
123 HB3 LEU 19 3HB LEU 19 13.173 8.423 -19.354
124 HG LEU 19 HG LEU 19 11.844 9.861 -20.745
125 HD11 LEU 19 1HD1 LEU 19 13.200 8.821 -23.015
126 HD12 LEU 19 2HD1 LEU 19 14.215 8.569 -21.595
127 HD13 LEU 19 3HD1 LEU 19 13.643 10.189 -21.993
128 HD21 LEU 19 3HD2 LEU 19 10.328 7.811 -21.390
129 HD22 LEU 19 1HD2 LEU 19 11.410 7.732 -22.780
130 HD23 LEU 19 2HD2 LEU 19 10.485 9.201 -22.466
131 H VAL 20 H VAL 20 12.569 4.685 -18.788
132 HA VAL 20 HA VAL 20 14.682 5.241 -16.931
133 HB VAL 20 HB VAL 20 12.652 3.039 -17.164
134 HG11 VAL 20 1HG1 VAL 20 15.040 3.168 -15.347
135 HG12 VAL 20 2HG1 VAL 20 13.584 2.268 -14.919
136 HG13 VAL 20 3HG1 VAL 20 14.499 1.831 -16.362
137 HG21 VAL 20 3HG2 VAL 20 12.785 4.347 -14.628
138 HG22 VAL 20 1HG2 VAL 20 12.742 5.562 -15.906
139 HG23 VAL 20 2HG2 VAL 20 11.472 4.343 -15.806
140 HA PRO 21 HA PRO 21 16.508 1.144 -18.752
141 HB2 PRO 21 2HB PRO 21 15.441 0.254 -21.084
142 HB3 PRO 21 3HB PRO 21 14.829 -0.236 -19.500
143 HG2 PRO 21 2HG PRO 21 13.776 1.845 -21.376
144 HG3 PRO 21 3HG PRO 21 12.886 0.636 -20.432
145 HD2 PRO 21 2HD PRO 21 13.094 3.223 -19.659
146 HD3 PRO 21 3HD PRO 21 12.992 1.884 -18.497
147 H VAL 22 H VAL 22 15.489 3.797 -20.745
148 HA VAL 22 HA VAL 22 17.819 3.498 -22.497
149 HB VAL 22 HB VAL 22 15.542 5.473 -22.703
150 HG11 VAL 22 1HG1 VAL 22 16.430 5.557 -25.112
151 HG12 VAL 22 2HG1 VAL 22 17.340 6.409 -23.862
152 HG13 VAL 22 3HG1 VAL 22 17.898 4.841 -24.447
153 HG21 VAL 22 3HG2 VAL 22 14.608 4.066 -24.403
154 HG22 VAL 22 1HG2 VAL 22 15.985 2.967 -24.318
155 HG23 VAL 22 2HG2 VAL 22 14.865 3.083 -22.961
156 H GLU 23 H GLU 23 16.858 5.114 -19.702
157 HA GLU 23 HA GLU 23 18.041 7.627 -19.958
158 HB2 GLU 23 2HB GLU 23 16.992 7.686 -17.976
159 HB3 GLU 23 3HB GLU 23 17.080 5.940 -17.789
160 HG2 GLU 23 2HG GLU 23 19.299 6.094 -16.884
161 HG3 GLU 23 3HG GLU 23 19.349 7.827 -17.205
162 H ASP 24 H ASP 24 19.467 4.520 -19.705
163 HA ASP 24 HA ASP 24 21.999 5.383 -18.668
164 HB2 ASP 24 2HB ASP 24 21.014 3.033 -18.509
165 HB3 ASP 24 3HB ASP 24 21.479 2.835 -20.196
166 H HIS 25 H HIS 25 20.512 5.840 -21.589
167 HA HIS 25 HA HIS 25 22.462 5.336 -23.506
168 HB2 HIS 25 2HB HIS 25 21.299 6.879 -24.920
169 HB3 HIS 25 3HB HIS 25 20.091 6.063 -23.932
170 HD1 HIS 25 HD1 HIS 25 19.588 8.835 -25.256
171 HD2 HIS 25 HD2 HIS 25 20.842 8.261 -21.337
172 HE1 HIS 25 HE1 HIS 25 18.901 10.914 -24.019
Start of MODEL 15
1 H1 THR 1 H THR 1 -0.237 -0.116 0.528
2 HA THR 1 HA THR 1 1.320 1.111 -0.632
3 HB THR 1 HB THR 1 2.771 -1.343 -1.551
4 HG1 THR 1 HG1 THR 1 3.421 -1.801 0.416
5 HG21 THR 1 3HG2 THR 1 4.698 0.085 -1.425
6 HG22 THR 1 1HG2 THR 1 3.776 1.338 -0.597
7 HG23 THR 1 2HG2 THR 1 3.427 0.954 -2.283
8 H GLY 2 H GLY 2 -0.002 -1.824 -2.021
9 HA2 GLY 2 2HA GLY 2 0.402 -1.333 -4.732
10 HA3 GLY 2 3HA GLY 2 -0.950 -2.239 -4.069
11 H ASN 3 H ASN 3 -2.190 -0.180 -2.612
12 HA ASN 3 HA ASN 3 -3.415 1.273 -4.814
13 HB2 ASN 3 2HB ASN 3 -4.704 0.028 -2.975
14 HB3 ASN 3 3HB ASN 3 -4.274 1.377 -1.928
15 HD21 ASN 3 1HD2 ASN 3 -6.221 2.290 -1.641
16 HD22 ASN 3 2HD2 ASN 3 -7.195 2.939 -2.911
17 H VAL 4 H VAL 4 -0.930 1.800 -2.696
18 HA VAL 4 HA VAL 4 -1.435 4.673 -2.420
19 HB VAL 4 HB VAL 4 0.867 3.097 -1.269
20 HG11 VAL 4 1HG1 VAL 4 1.518 5.294 -1.127
21 HG12 VAL 4 2HG1 VAL 4 -0.138 5.889 -0.989
22 HG13 VAL 4 3HG1 VAL 4 0.640 5.115 0.392
23 HG21 VAL 4 3HG2 VAL 4 -0.748 2.094 -0.052
24 HG22 VAL 4 1HG2 VAL 4 -0.712 3.606 0.855
25 HG23 VAL 4 2HG2 VAL 4 -1.935 3.354 -0.390
26 H GLY 5 H GLY 5 0.151 2.511 -4.455
27 HA2 GLY 5 2HA GLY 5 2.140 4.523 -5.273
28 HA3 GLY 5 3HA GLY 5 2.214 2.809 -5.655
29 H LEU 6 H LEU 6 -0.847 4.336 -5.967
30 HA LEU 6 HA LEU 6 -0.737 3.958 -8.849
31 HB2 LEU 6 2HB LEU 6 -2.649 3.179 -7.402
32 HB3 LEU 6 3HB LEU 6 -3.076 4.876 -7.191
33 HG LEU 6 HG LEU 6 -2.824 3.990 -9.986
34 HD11 LEU 6 1HD1 LEU 6 -3.914 2.046 -9.535
35 HD12 LEU 6 2HD1 LEU 6 -5.305 3.123 -9.652
36 HD13 LEU 6 3HD1 LEU 6 -4.668 2.675 -8.070
37 HD21 LEU 6 3HD2 LEU 6 -5.270 5.245 -8.927
38 HD22 LEU 6 1HD2 LEU 6 -4.305 5.650 -10.347
39 HD23 LEU 6 2HD2 LEU 6 -3.785 6.182 -8.747
40 H SER 7 H SER 7 -0.046 6.414 -6.746
41 HA SER 7 HA SER 7 -0.711 8.467 -8.755
42 HB2 SER 7 2HB SER 7 -1.192 8.390 -5.880
43 HB3 SER 7 3HB SER 7 -0.300 9.831 -6.369
44 HG SER 7 HG SER 7 -2.909 9.163 -6.807
45 HA PRO 8 HA PRO 8 3.544 9.808 -6.964
46 HB2 PRO 8 2HB PRO 8 4.601 8.346 -4.935
47 HB3 PRO 8 3HB PRO 8 3.514 9.714 -4.669
48 HG2 PRO 8 2HG PRO 8 2.905 6.783 -4.666
49 HG3 PRO 8 3HG PRO 8 2.344 8.044 -3.552
50 HD2 PRO 8 2HD PRO 8 0.808 7.094 -5.569
51 HD3 PRO 8 3HD PRO 8 0.707 8.773 -5.002
52 H GLY 9 H GLY 9 2.629 6.642 -7.726
53 HA2 GLY 9 2HA GLY 9 5.373 6.026 -8.637
54 HA3 GLY 9 3HA GLY 9 4.259 4.794 -8.061
55 H LEU 10 H LEU 10 2.132 6.525 -9.553
56 HA LEU 10 HA LEU 10 2.230 4.951 -11.963
57 HB2 LEU 10 2HB LEU 10 0.114 5.310 -10.845
58 HB3 LEU 10 3HB LEU 10 0.290 7.055 -11.017
59 HG LEU 10 HG LEU 10 0.414 6.140 -13.620
60 HD11 LEU 10 1HD1 LEU 10 -1.748 4.789 -13.718
61 HD12 LEU 10 2HD1 LEU 10 -1.477 4.456 -12.008
62 HD13 LEU 10 3HD1 LEU 10 -0.286 3.946 -13.205
63 HD21 LEU 10 3HD2 LEU 10 -1.423 7.467 -13.919
64 HD22 LEU 10 1HD2 LEU 10 -0.882 8.048 -12.344
65 HD23 LEU 10 2HD2 LEU 10 -2.215 6.897 -12.449
66 H SER 11 H SER 11 2.550 8.363 -11.101
67 HA SER 11 HA SER 11 2.855 9.216 -13.830
68 HB2 SER 11 2HB SER 11 2.106 10.522 -11.593
69 HB3 SER 11 3HB SER 11 3.812 10.967 -11.633
70 HG SER 11 HG SER 11 2.428 12.419 -12.804
71 H THR 12 H THR 12 4.910 7.957 -11.399
72 HA THR 12 HA THR 12 7.342 9.070 -12.520
73 HB THR 12 HB THR 12 6.971 7.005 -10.341
74 HG1 THR 12 HG1 THR 12 7.326 8.743 -8.956
75 HG21 THR 12 3HG2 THR 12 9.154 6.782 -11.371
76 HG22 THR 12 1HG2 THR 12 9.324 7.528 -9.783
77 HG23 THR 12 2HG2 THR 12 9.425 8.519 -11.238
78 H ALA 13 H ALA 13 5.407 6.242 -12.864
79 HA ALA 13 HA ALA 13 7.553 4.714 -14.112
80 HB1 ALA 13 1HB ALA 13 4.705 4.058 -13.411
81 HB2 ALA 13 2HB ALA 13 5.722 2.980 -14.368
82 HB3 ALA 13 3HB ALA 13 6.186 3.395 -12.718
83 H LEU 14 H LEU 14 4.599 6.419 -14.960
84 HA LEU 14 HA LEU 14 4.586 5.545 -17.689
85 HB2 LEU 14 2HB LEU 14 2.908 7.101 -15.949
86 HB3 LEU 14 3HB LEU 14 3.135 7.937 -17.484
87 HG LEU 14 HG LEU 14 1.112 6.600 -17.527
88 HD11 LEU 14 1HD1 LEU 14 2.276 4.852 -19.348
89 HD12 LEU 14 2HD1 LEU 14 3.330 6.266 -19.344
90 HD13 LEU 14 3HD1 LEU 14 1.610 6.450 -19.686
91 HD21 LEU 14 3HD2 LEU 14 1.766 3.985 -17.633
92 HD22 LEU 14 1HD2 LEU 14 1.185 4.797 -16.179
93 HD23 LEU 14 2HD2 LEU 14 2.915 4.552 -16.419
94 H THR 15 H THR 15 6.416 7.782 -15.968
95 HA THR 15 HA THR 15 6.911 9.474 -18.308
96 HB THR 15 HB THR 15 7.850 9.777 -15.448
97 HG1 THR 15 HG1 THR 15 6.239 11.245 -15.273
98 HG21 THR 15 3HG2 THR 15 9.364 11.219 -16.214
99 HG22 THR 15 1HG2 THR 15 8.059 12.197 -16.885
100 HG23 THR 15 2HG2 THR 15 8.825 10.951 -17.872
101 H GLY 16 H GLY 16 8.494 7.182 -16.159
102 HA2 GLY 16 2HA GLY 16 10.971 7.435 -17.729
103 HA3 GLY 16 3HA GLY 16 10.847 6.706 -16.135
104 H PHE 17 H PHE 17 8.231 5.528 -17.562
105 HA PHE 17 HA PHE 17 8.730 2.943 -17.670
106 HB2 PHE 17 2HB PHE 17 7.159 2.686 -19.546
107 HB3 PHE 17 3HB PHE 17 6.590 3.888 -18.392
108 HD1 PHE 17 HD2 PHE 17 7.574 6.356 -18.990
109 HD2 PHE 17 HD1 PHE 17 6.819 3.199 -21.743
110 HE1 PHE 17 HE2 PHE 17 7.358 7.999 -20.809
111 HE2 PHE 17 HE1 PHE 17 6.602 4.836 -23.567
112 HZ PHE 17 HZ PHE 17 6.870 7.240 -23.101
113 H THR 18 H THR 18 9.491 5.033 -20.455
114 HA THR 18 HA THR 18 11.440 2.999 -21.326
115 HB THR 18 HB THR 18 10.087 5.037 -23.099
116 HG1 THR 18 HG1 THR 18 9.447 2.321 -22.547
117 HG21 THR 18 3HG2 THR 18 10.896 3.505 -24.897
118 HG22 THR 18 1HG2 THR 18 11.793 2.613 -23.669
119 HG23 THR 18 2HG2 THR 18 12.190 4.299 -24.001
120 H LEU 19 H LEU 19 11.017 6.170 -20.206
121 HA LEU 19 HA LEU 19 13.379 7.274 -21.447
122 HB2 LEU 19 2HB LEU 19 11.307 8.239 -19.545
123 HB3 LEU 19 3HB LEU 19 12.861 9.069 -19.574
124 HG LEU 19 HG LEU 19 11.296 10.255 -20.962
125 HD11 LEU 19 1HD1 LEU 19 13.756 9.189 -21.878
126 HD12 LEU 19 2HD1 LEU 19 12.981 10.709 -22.324
127 HD13 LEU 19 3HD1 LEU 19 12.645 9.245 -23.247
128 HD21 LEU 19 3HD2 LEU 19 9.997 8.016 -21.398
129 HD22 LEU 19 1HD2 LEU 19 11.016 7.956 -22.836
130 HD23 LEU 19 2HD2 LEU 19 9.947 9.333 -22.571
131 H VAL 20 H VAL 20 12.710 5.333 -18.756
132 HA VAL 20 HA VAL 20 14.842 6.233 -17.062
133 HB VAL 20 HB VAL 20 13.039 3.833 -17.041
134 HG11 VAL 20 1HG1 VAL 20 14.958 2.787 -16.273
135 HG12 VAL 20 2HG1 VAL 20 15.566 4.248 -15.492
136 HG13 VAL 20 3HG1 VAL 20 14.216 3.363 -14.781
137 HG21 VAL 20 3HG2 VAL 20 11.874 4.979 -15.517
138 HG22 VAL 20 1HG2 VAL 20 13.328 5.436 -14.630
139 HG23 VAL 20 2HG2 VAL 20 12.812 6.384 -16.025
140 HA PRO 21 HA PRO 21 17.009 2.240 -18.735
141 HB2 PRO 21 2HB PRO 21 15.925 1.086 -20.940
142 HB3 PRO 21 3HB PRO 21 15.456 0.642 -19.294
143 HG2 PRO 21 2HG PRO 21 14.082 2.468 -21.228
144 HG3 PRO 21 3HG PRO 21 13.381 1.237 -20.161
145 HD2 PRO 21 2HD PRO 21 13.344 3.878 -19.562
146 HD3 PRO 21 3HD PRO 21 13.452 2.618 -18.316
147 H VAL 22 H VAL 22 15.611 4.643 -20.806
148 HA VAL 22 HA VAL 22 17.869 4.475 -22.671
149 HB VAL 22 HB VAL 22 15.370 6.159 -22.888
150 HG11 VAL 22 1HG1 VAL 22 17.840 5.984 -24.435
151 HG12 VAL 22 2HG1 VAL 22 16.380 5.801 -25.410
152 HG13 VAL 22 3HG1 VAL 22 16.602 7.239 -24.412
153 HG21 VAL 22 3HG2 VAL 22 14.955 3.701 -22.941
154 HG22 VAL 22 1HG2 VAL 22 14.533 4.533 -24.438
155 HG23 VAL 22 2HG2 VAL 22 16.025 3.598 -24.339
156 H GLU 23 H GLU 23 16.862 6.161 -19.937
157 HA GLU 23 HA GLU 23 17.697 8.774 -20.407
158 HB2 GLU 23 2HB GLU 23 16.792 8.820 -18.354
159 HB3 GLU 23 3HB GLU 23 17.119 7.114 -18.087
160 HG2 GLU 23 2HG GLU 23 19.350 7.594 -17.355
161 HG3 GLU 23 3HG GLU 23 19.168 9.295 -17.781
162 H ASP 24 H ASP 24 19.537 5.894 -20.076
163 HA ASP 24 HA ASP 24 22.016 7.486 -19.986
164 HB2 ASP 24 2HB ASP 24 21.503 5.960 -17.987
165 HB3 ASP 24 3HB ASP 24 21.821 4.618 -19.083
166 H HIS 25 H HIS 25 20.079 5.594 -21.894
167 HA HIS 25 HA HIS 25 22.348 4.661 -23.525
168 HB2 HIS 25 2HB HIS 25 20.511 3.040 -22.566
169 HB3 HIS 25 3HB HIS 25 19.561 3.641 -23.922
170 HD1 HIS 25 HD1 HIS 25 22.453 3.789 -25.603
171 HD2 HIS 25 HD2 HIS 25 20.498 0.521 -23.942
172 HE1 HIS 25 HE1 HIS 25 23.302 1.786 -26.863
Start of MODEL 16
1 H1 THR 1 H THR 1 0.865 0.841 -0.357
2 HA THR 1 HA THR 1 2.254 1.862 -1.884
3 HB THR 1 HB THR 1 3.785 -0.598 -2.541
4 HG1 THR 1 HG1 THR 1 4.311 -0.947 -0.529
5 HG21 THR 1 3HG2 THR 1 4.757 2.159 -1.816
6 HG22 THR 1 1HG2 THR 1 4.221 1.733 -3.441
7 HG23 THR 1 2HG2 THR 1 5.606 0.909 -2.724
8 H GLY 2 H GLY 2 1.183 -1.440 -2.543
9 HA2 GLY 2 2HA GLY 2 1.183 -1.293 -5.352
10 HA3 GLY 2 3HA GLY 2 0.194 -2.380 -4.388
11 H ASN 3 H ASN 3 -1.193 -0.263 -2.975
12 HA ASN 3 HA ASN 3 -2.905 0.686 -5.176
13 HB2 ASN 3 2HB ASN 3 -3.606 -0.054 -2.329
14 HB3 ASN 3 3HB ASN 3 -4.727 0.727 -3.441
15 HD21 ASN 3 1HD2 ASN 3 -4.274 -2.064 -2.100
16 HD22 ASN 3 2HD2 ASN 3 -4.664 -3.153 -3.384
17 H VAL 4 H VAL 4 -0.694 1.707 -2.936
18 HA VAL 4 HA VAL 4 -1.969 4.320 -2.535
19 HB VAL 4 HB VAL 4 0.574 3.314 -1.260
20 HG11 VAL 4 1HG1 VAL 4 0.539 5.642 -1.079
21 HG12 VAL 4 2HG1 VAL 4 -1.206 5.689 -0.822
22 HG13 VAL 4 3HG1 VAL 4 -0.141 5.088 0.450
23 HG21 VAL 4 3HG2 VAL 4 -0.888 2.965 0.760
24 HG22 VAL 4 1HG2 VAL 4 -2.277 3.130 -0.313
25 HG23 VAL 4 2HG2 VAL 4 -1.129 1.814 -0.554
26 H GLY 5 H GLY 5 0.267 2.770 -4.518
27 HA2 GLY 5 2HA GLY 5 1.777 5.236 -5.039
28 HA3 GLY 5 3HA GLY 5 2.226 3.625 -5.578
29 H LEU 6 H LEU 6 -1.063 4.606 -5.936
30 HA LEU 6 HA LEU 6 -0.895 4.328 -8.787
31 HB2 LEU 6 2HB LEU 6 -2.833 3.565 -7.454
32 HB3 LEU 6 3HB LEU 6 -3.207 5.247 -7.084
33 HG LEU 6 HG LEU 6 -3.029 4.709 -9.948
34 HD11 LEU 6 1HD1 LEU 6 -3.907 2.536 -9.182
35 HD12 LEU 6 2HD1 LEU 6 -5.079 3.450 -10.130
36 HD13 LEU 6 3HD1 LEU 6 -5.230 3.379 -8.375
37 HD21 LEU 6 3HD2 LEU 6 -5.551 5.640 -8.838
38 HD22 LEU 6 1HD2 LEU 6 -4.471 6.409 -10.001
39 HD23 LEU 6 2HD2 LEU 6 -4.167 6.576 -8.272
40 H SER 7 H SER 7 -0.195 6.834 -6.747
41 HA SER 7 HA SER 7 -0.812 8.836 -8.821
42 HB2 SER 7 2HB SER 7 -1.323 8.849 -5.949
43 HB3 SER 7 3HB SER 7 -0.412 10.265 -6.473
44 HG SER 7 HG SER 7 -2.813 9.362 -7.686
45 HA PRO 8 HA PRO 8 3.440 10.176 -7.019
46 HB2 PRO 8 2HB PRO 8 4.454 8.759 -4.937
47 HB3 PRO 8 3HB PRO 8 3.382 10.148 -4.723
48 HG2 PRO 8 2HG PRO 8 2.736 7.227 -4.643
49 HG3 PRO 8 3HG PRO 8 2.178 8.525 -3.572
50 HD2 PRO 8 2HD PRO 8 0.654 7.537 -5.580
51 HD3 PRO 8 3HD PRO 8 0.568 9.233 -5.061
52 H GLY 9 H GLY 9 2.493 7.002 -7.701
53 HA2 GLY 9 2HA GLY 9 5.239 6.325 -8.562
54 HA3 GLY 9 3HA GLY 9 4.103 5.125 -7.964
55 H LEU 10 H LEU 10 2.015 6.837 -9.530
56 HA LEU 10 HA LEU 10 2.119 5.194 -11.892
57 HB2 LEU 10 2HB LEU 10 0.016 5.727 -10.687
58 HB3 LEU 10 3HB LEU 10 0.196 7.407 -11.189
59 HG LEU 10 HG LEU 10 0.175 5.387 -13.349
60 HD11 LEU 10 1HD1 LEU 10 -2.330 5.370 -13.306
61 HD12 LEU 10 2HD1 LEU 10 -2.242 6.019 -11.669
62 HD13 LEU 10 3HD1 LEU 10 -1.557 4.434 -12.027
63 HD21 LEU 10 3HD2 LEU 10 -0.956 8.137 -12.897
64 HD22 LEU 10 1HD2 LEU 10 -1.334 7.170 -14.323
65 HD23 LEU 10 2HD2 LEU 10 0.332 7.651 -14.001
66 H SER 11 H SER 11 2.472 8.626 -11.128
67 HA SER 11 HA SER 11 2.823 9.394 -13.875
68 HB2 SER 11 2HB SER 11 2.010 10.798 -11.771
69 HB3 SER 11 3HB SER 11 3.733 11.151 -11.639
70 HG SER 11 HG SER 11 1.979 12.276 -13.249
71 H THR 12 H THR 12 4.832 8.180 -11.384
72 HA THR 12 HA THR 12 7.291 9.228 -12.508
73 HB THR 12 HB THR 12 6.891 7.214 -10.287
74 HG1 THR 12 HG1 THR 12 7.521 9.991 -10.139
75 HG21 THR 12 3HG2 THR 12 9.081 6.840 -10.669
76 HG22 THR 12 1HG2 THR 12 9.307 8.388 -9.856
77 HG23 THR 12 2HG2 THR 12 9.270 8.314 -11.618
78 H ALA 13 H ALA 13 5.322 6.416 -12.793
79 HA ALA 13 HA ALA 13 7.462 4.825 -13.971
80 HB1 ALA 13 1HB ALA 13 6.210 3.371 -12.754
81 HB2 ALA 13 2HB ALA 13 4.717 4.278 -12.997
82 HB3 ALA 13 3HB ALA 13 5.344 3.249 -14.285
83 H LEU 14 H LEU 14 4.541 6.542 -14.903
84 HA LEU 14 HA LEU 14 4.548 5.589 -17.605
85 HB2 LEU 14 2HB LEU 14 2.868 7.211 -15.931
86 HB3 LEU 14 3HB LEU 14 3.127 8.007 -17.482
87 HG LEU 14 HG LEU 14 1.080 6.675 -17.478
88 HD11 LEU 14 1HD1 LEU 14 3.338 6.163 -19.292
89 HD12 LEU 14 2HD1 LEU 14 1.700 6.715 -19.639
90 HD13 LEU 14 3HD1 LEU 14 2.015 5.000 -19.375
91 HD21 LEU 14 3HD2 LEU 14 2.817 4.724 -16.241
92 HD22 LEU 14 1HD2 LEU 14 1.971 4.047 -17.633
93 HD23 LEU 14 2HD2 LEU 14 1.055 4.779 -16.316
94 H THR 15 H THR 15 6.388 7.851 -15.929
95 HA THR 15 HA THR 15 6.932 9.469 -18.309
96 HB THR 15 HB THR 15 7.844 9.839 -15.449
97 HG1 THR 15 HG1 THR 15 6.406 11.743 -15.744
98 HG21 THR 15 3HG2 THR 15 9.386 11.239 -16.238
99 HG22 THR 15 1HG2 THR 15 8.103 12.214 -16.951
100 HG23 THR 15 2HG2 THR 15 8.862 10.931 -17.894
101 H GLY 16 H GLY 16 8.461 7.218 -16.079
102 HA2 GLY 16 2HA GLY 16 10.957 7.393 -17.629
103 HA3 GLY 16 3HA GLY 16 10.806 6.712 -16.016
104 H PHE 17 H PHE 17 8.189 5.528 -17.435
105 HA PHE 17 HA PHE 17 8.654 2.934 -17.463
106 HB2 PHE 17 2HB PHE 17 7.100 2.643 -19.347
107 HB3 PHE 17 3HB PHE 17 6.535 3.886 -18.235
108 HD1 PHE 17 HD1 PHE 17 7.560 6.322 -18.893
109 HD2 PHE 17 HD2 PHE 17 6.789 3.097 -21.562
110 HE1 PHE 17 HE1 PHE 17 7.385 7.914 -20.761
111 HE2 PHE 17 HE2 PHE 17 6.614 4.684 -23.434
112 HZ PHE 17 HZ PHE 17 6.912 7.096 -23.035
113 H THR 18 H THR 18 9.470 4.929 -20.301
114 HA THR 18 HA THR 18 11.400 2.845 -21.092
115 HB THR 18 HB THR 18 10.095 4.852 -22.935
116 HG1 THR 18 HG1 THR 18 8.618 3.319 -23.410
117 HG21 THR 18 3HG2 THR 18 12.196 4.062 -23.794
118 HG22 THR 18 1HG2 THR 18 10.902 3.258 -24.682
119 HG23 THR 18 2HG2 THR 18 11.776 2.392 -23.418
120 H LEU 19 H LEU 19 11.015 6.049 -20.061
121 HA LEU 19 HA LEU 19 13.404 7.086 -21.308
122 HB2 LEU 19 2HB LEU 19 11.327 8.130 -19.455
123 HB3 LEU 19 3HB LEU 19 12.894 8.934 -19.483
124 HG LEU 19 HG LEU 19 11.369 10.112 -20.919
125 HD11 LEU 19 1HD1 LEU 19 12.727 9.019 -23.161
126 HD12 LEU 19 2HD1 LEU 19 13.821 8.983 -21.778
127 HD13 LEU 19 3HD1 LEU 19 13.076 10.503 -22.273
128 HD21 LEU 19 3HD2 LEU 19 11.069 7.775 -22.742
129 HD22 LEU 19 1HD2 LEU 19 10.019 9.175 -22.516
130 HD23 LEU 19 2HD2 LEU 19 10.037 7.883 -21.315
131 H VAL 20 H VAL 20 12.684 5.224 -18.575
132 HA VAL 20 HA VAL 20 14.808 6.137 -16.881
133 HB VAL 20 HB VAL 20 12.996 3.741 -16.828
134 HG11 VAL 20 1HG1 VAL 20 15.408 4.261 -15.107
135 HG12 VAL 20 2HG1 VAL 20 14.082 3.211 -14.607
136 HG13 VAL 20 3HG1 VAL 20 15.026 2.817 -16.043
137 HG21 VAL 20 3HG2 VAL 20 13.116 5.276 -14.419
138 HG22 VAL 20 1HG2 VAL 20 12.888 6.360 -15.791
139 HG23 VAL 20 2HG2 VAL 20 11.756 5.036 -15.515
140 HA PRO 21 HA PRO 21 16.953 2.088 -18.445
141 HB2 PRO 21 2HB PRO 21 15.883 0.901 -20.640
142 HB3 PRO 21 3HB PRO 21 15.389 0.495 -18.992
143 HG2 PRO 21 2HG PRO 21 14.058 2.296 -20.978
144 HG3 PRO 21 3HG PRO 21 13.332 1.095 -19.895
145 HD2 PRO 21 2HD PRO 21 13.316 3.747 -19.349
146 HD3 PRO 21 3HD PRO 21 13.395 2.511 -18.078
147 H VAL 22 H VAL 22 15.595 4.451 -20.595
148 HA VAL 22 HA VAL 22 17.875 4.225 -22.425
149 HB VAL 22 HB VAL 22 15.403 5.938 -22.702
150 HG11 VAL 22 1HG1 VAL 22 17.022 6.933 -24.040
151 HG12 VAL 22 2HG1 VAL 22 17.757 5.387 -24.470
152 HG13 VAL 22 3HG1 VAL 22 16.197 5.845 -25.155
153 HG21 VAL 22 3HG2 VAL 22 14.951 3.486 -22.704
154 HG22 VAL 22 1HG2 VAL 22 14.553 4.291 -24.222
155 HG23 VAL 22 2HG2 VAL 22 16.030 3.337 -24.091
156 H GLU 23 H GLU 23 16.859 5.978 -19.737
157 HA GLU 23 HA GLU 23 17.737 8.570 -20.251
158 HB2 GLU 23 2HB GLU 23 16.806 8.674 -18.213
159 HB3 GLU 23 3HB GLU 23 17.101 6.969 -17.905
160 HG2 GLU 23 2HG GLU 23 19.331 7.430 -17.154
161 HG3 GLU 23 3HG GLU 23 19.177 9.126 -17.612
162 H ASP 24 H ASP 24 19.530 5.671 -19.837
163 HA ASP 24 HA ASP 24 22.031 7.229 -19.740
164 HB2 ASP 24 2HB ASP 24 21.466 5.748 -17.720
165 HB3 ASP 24 3HB ASP 24 21.780 4.382 -18.787
166 H HIS 25 H HIS 25 20.094 5.335 -21.644
167 HA HIS 25 HA HIS 25 22.236 3.977 -23.065
168 HB2 HIS 25 2HB HIS 25 19.966 2.937 -22.649
169 HB3 HIS 25 3HB HIS 25 19.311 4.087 -23.811
170 HD1 HIS 25 HD1 HIS 25 18.678 1.687 -24.994
171 HD2 HIS 25 HD2 HIS 25 22.661 2.869 -25.065
172 HE1 HIS 25 HE1 HIS 25 19.751 0.326 -26.816
Start of MODEL 17
1 H1 THR 1 H THR 1 0.891 -0.842 -0.100
2 HA THR 1 HA THR 1 1.649 1.734 -1.209
3 HB THR 1 HB THR 1 3.025 -0.915 -1.658
4 HG1 THR 1 HG1 THR 1 4.392 -0.135 0.115
5 HG21 THR 1 3HG2 THR 1 3.800 0.739 -3.185
6 HG22 THR 1 1HG2 THR 1 5.014 0.617 -1.912
7 HG23 THR 1 2HG2 THR 1 3.877 1.965 -1.919
8 H GLY 2 H GLY 2 0.381 -1.364 -2.289
9 HA2 GLY 2 2HA GLY 2 0.703 -0.910 -5.072
10 HA3 GLY 2 3HA GLY 2 -0.385 -2.077 -4.336
11 H ASN 3 H ASN 3 -1.652 0.171 -2.772
12 HA ASN 3 HA ASN 3 -3.351 1.159 -4.963
13 HB2 ASN 3 2HB ASN 3 -3.988 0.612 -2.059
14 HB3 ASN 3 3HB ASN 3 -5.092 1.432 -3.159
15 HD21 ASN 3 1HD2 ASN 3 -6.551 0.188 -4.060
16 HD22 ASN 3 2HD2 ASN 3 -6.404 -1.506 -4.365
17 H VAL 4 H VAL 4 -0.987 2.132 -2.863
18 HA VAL 4 HA VAL 4 -2.050 4.860 -2.604
19 HB VAL 4 HB VAL 4 0.405 3.727 -1.262
20 HG11 VAL 4 1HG1 VAL 4 -0.434 5.707 0.332
21 HG12 VAL 4 2HG1 VAL 4 0.695 5.959 -1.001
22 HG13 VAL 4 3HG1 VAL 4 -1.019 6.318 -1.215
23 HG21 VAL 4 3HG2 VAL 4 -2.454 3.482 -0.591
24 HG22 VAL 4 1HG2 VAL 4 -1.089 2.461 -0.141
25 HG23 VAL 4 2HG2 VAL 4 -1.395 3.961 0.735
26 H GLY 5 H GLY 5 0.040 3.002 -4.478
27 HA2 GLY 5 2HA GLY 5 1.783 5.268 -5.134
28 HA3 GLY 5 3HA GLY 5 2.036 3.599 -5.620
29 H LEU 6 H LEU 6 -1.126 4.936 -5.966
30 HA LEU 6 HA LEU 6 -0.986 4.599 -8.828
31 HB2 LEU 6 2HB LEU 6 -3.136 5.207 -6.853
32 HB3 LEU 6 3HB LEU 6 -3.417 5.546 -8.559
33 HG LEU 6 HG LEU 6 -4.354 3.391 -7.910
34 HD11 LEU 6 1HD1 LEU 6 -3.380 3.795 -10.191
35 HD12 LEU 6 2HD1 LEU 6 -3.492 2.104 -9.704
36 HD13 LEU 6 3HD1 LEU 6 -1.939 2.937 -9.646
37 HD21 LEU 6 3HD2 LEU 6 -2.631 2.991 -6.102
38 HD22 LEU 6 1HD2 LEU 6 -1.545 2.454 -7.384
39 HD23 LEU 6 2HD2 LEU 6 -3.057 1.594 -7.092
40 H SER 7 H SER 7 -0.170 7.059 -6.775
41 HA SER 7 HA SER 7 -0.694 9.099 -8.838
42 HB2 SER 7 2HB SER 7 -1.206 9.119 -5.968
43 HB3 SER 7 3HB SER 7 -0.226 10.493 -6.480
44 HG SER 7 HG SER 7 -2.821 10.217 -6.722
45 HA PRO 8 HA PRO 8 3.616 10.230 -7.032
46 HB2 PRO 8 2HB PRO 8 4.564 8.758 -4.958
47 HB3 PRO 8 3HB PRO 8 3.558 10.194 -4.735
48 HG2 PRO 8 2HG PRO 8 2.777 7.305 -4.670
49 HG3 PRO 8 3HG PRO 8 2.280 8.622 -3.593
50 HD2 PRO 8 2HD PRO 8 0.711 7.716 -5.605
51 HD3 PRO 8 3HD PRO 8 0.704 9.411 -5.078
52 H GLY 9 H GLY 9 2.523 7.107 -7.729
53 HA2 GLY 9 2HA GLY 9 5.235 6.309 -8.595
54 HA3 GLY 9 3HA GLY 9 4.045 5.159 -8.003
55 H LEU 10 H LEU 10 2.038 6.975 -9.559
56 HA LEU 10 HA LEU 10 2.066 5.341 -11.930
57 HB2 LEU 10 2HB LEU 10 -0.027 5.885 -10.802
58 HB3 LEU 10 3HB LEU 10 0.246 7.600 -11.107
59 HG LEU 10 HG LEU 10 0.283 6.721 -13.629
60 HD11 LEU 10 1HD1 LEU 10 -0.286 4.385 -12.434
61 HD12 LEU 10 2HD1 LEU 10 -0.837 4.811 -14.054
62 HD13 LEU 10 3HD1 LEU 10 -1.919 5.008 -12.675
63 HD21 LEU 10 3HD2 LEU 10 -1.926 7.606 -11.838
64 HD22 LEU 10 1HD2 LEU 10 -2.312 7.111 -13.487
65 HD23 LEU 10 2HD2 LEU 10 -1.179 8.433 -13.206
66 H SER 11 H SER 11 2.579 8.748 -11.146
67 HA SER 11 HA SER 11 2.961 9.515 -13.890
68 HB2 SER 11 2HB SER 11 2.173 10.967 -11.854
69 HB3 SER 11 3HB SER 11 3.902 11.178 -11.577
70 HG SER 11 HG SER 11 2.348 11.973 -13.789
71 H THR 12 H THR 12 4.914 8.196 -11.407
72 HA THR 12 HA THR 12 7.418 9.137 -12.526
73 HB THR 12 HB THR 12 6.936 7.125 -10.320
74 HG1 THR 12 HG1 THR 12 6.371 9.578 -10.184
75 HG21 THR 12 3HG2 THR 12 9.387 8.192 -9.865
76 HG22 THR 12 1HG2 THR 12 9.357 8.173 -11.627
77 HG23 THR 12 2HG2 THR 12 9.112 6.677 -10.725
78 H ALA 13 H ALA 13 5.322 6.420 -12.826
79 HA ALA 13 HA ALA 13 7.387 4.739 -14.013
80 HB1 ALA 13 1HB ALA 13 6.043 3.385 -12.747
81 HB2 ALA 13 2HB ALA 13 4.583 4.307 -13.109
82 HB3 ALA 13 3HB ALA 13 5.264 3.221 -14.321
83 H LEU 14 H LEU 14 4.548 6.593 -14.934
84 HA LEU 14 HA LEU 14 4.509 5.655 -17.641
85 HB2 LEU 14 2HB LEU 14 2.909 7.348 -15.958
86 HB3 LEU 14 3HB LEU 14 3.200 8.133 -17.509
87 HG LEU 14 HG LEU 14 1.103 6.917 -17.545
88 HD11 LEU 14 1HD1 LEU 14 1.611 6.684 -19.693
89 HD12 LEU 14 2HD1 LEU 14 2.183 5.060 -19.310
90 HD13 LEU 14 3HD1 LEU 14 3.315 6.413 -19.328
91 HD21 LEU 14 3HD2 LEU 14 2.771 4.791 -16.374
92 HD22 LEU 14 1HD2 LEU 14 1.598 4.267 -17.582
93 HD23 LEU 14 2HD2 LEU 14 1.057 5.146 -16.152
94 H THR 15 H THR 15 6.451 7.823 -15.953
95 HA THR 15 HA THR 15 7.068 9.426 -18.326
96 HB THR 15 HB THR 15 7.995 9.741 -15.465
97 HG1 THR 15 HG1 THR 15 5.974 10.942 -17.034
98 HG21 THR 15 3HG2 THR 15 9.061 10.798 -17.904
99 HG22 THR 15 1HG2 THR 15 9.600 11.073 -16.248
100 HG23 THR 15 2HG2 THR 15 8.360 12.109 -16.955
101 H GLY 16 H GLY 16 8.493 7.097 -16.107
102 HA2 GLY 16 2HA GLY 16 10.995 7.167 -17.655
103 HA3 GLY 16 3HA GLY 16 10.812 6.484 -16.046
104 H PHE 17 H PHE 17 8.145 5.428 -17.472
105 HA PHE 17 HA PHE 17 8.492 2.816 -17.514
106 HB2 PHE 17 2HB PHE 17 6.928 2.607 -19.401
107 HB3 PHE 17 3HB PHE 17 6.419 3.867 -18.283
108 HD1 PHE 17 HD2 PHE 17 7.553 6.259 -18.927
109 HD2 PHE 17 HD1 PHE 17 6.641 3.086 -21.614
110 HE1 PHE 17 HE2 PHE 17 7.452 7.867 -20.786
111 HE2 PHE 17 HE1 PHE 17 6.540 4.690 -23.478
112 HZ PHE 17 HZ PHE 17 6.944 7.084 -23.065
113 H THR 18 H THR 18 9.400 4.787 -20.342
114 HA THR 18 HA THR 18 11.233 2.621 -21.142
115 HB THR 18 HB THR 18 10.023 4.695 -22.976
116 HG1 THR 18 HG1 THR 18 9.264 1.974 -22.576
117 HG21 THR 18 3HG2 THR 18 10.757 3.074 -24.729
118 HG22 THR 18 1HG2 THR 18 11.592 2.165 -23.470
119 HG23 THR 18 2HG2 THR 18 12.086 3.817 -23.839
120 H LEU 19 H LEU 19 10.994 5.833 -20.093
121 HA LEU 19 HA LEU 19 13.429 6.768 -21.333
122 HB2 LEU 19 2HB LEU 19 11.399 7.894 -19.476
123 HB3 LEU 19 3HB LEU 19 13.002 8.627 -19.498
124 HG LEU 19 HG LEU 19 11.534 9.881 -20.929
125 HD11 LEU 19 1HD1 LEU 19 13.932 8.646 -21.793
126 HD12 LEU 19 2HD1 LEU 19 13.258 10.201 -22.281
127 HD13 LEU 19 3HD1 LEU 19 12.842 8.739 -23.177
128 HD21 LEU 19 3HD2 LEU 19 10.141 9.016 -22.528
129 HD22 LEU 19 1HD2 LEU 19 10.106 7.713 -21.339
130 HD23 LEU 19 2HD2 LEU 19 11.129 7.574 -22.769
131 H VAL 20 H VAL 20 12.623 4.924 -18.612
132 HA VAL 20 HA VAL 20 14.783 5.731 -16.910
133 HB VAL 20 HB VAL 20 12.870 3.415 -16.876
134 HG11 VAL 20 1HG1 VAL 20 14.598 2.250 -15.960
135 HG12 VAL 20 2HG1 VAL 20 15.435 3.705 -15.414
136 HG13 VAL 20 3HG1 VAL 20 14.044 3.096 -14.515
137 HG21 VAL 20 3HG2 VAL 20 12.878 6.032 -15.816
138 HG22 VAL 20 1HG2 VAL 20 11.681 4.759 -15.569
139 HG23 VAL 20 2HG2 VAL 20 13.040 4.921 -14.456
140 HA PRO 21 HA PRO 21 16.750 1.602 -18.500
141 HB2 PRO 21 2HB PRO 21 15.633 0.480 -20.706
142 HB3 PRO 21 3HB PRO 21 15.119 0.084 -19.062
143 HG2 PRO 21 2HG PRO 21 13.873 1.957 -21.037
144 HG3 PRO 21 3HG PRO 21 13.092 0.781 -19.964
145 HD2 PRO 21 2HD PRO 21 13.192 3.427 -19.398
146 HD3 PRO 21 3HD PRO 21 13.214 2.179 -18.136
147 H VAL 22 H VAL 22 15.499 4.033 -20.641
148 HA VAL 22 HA VAL 22 17.768 3.721 -22.470
149 HB VAL 22 HB VAL 22 15.379 5.552 -22.727
150 HG11 VAL 22 1HG1 VAL 22 16.724 6.538 -24.228
151 HG12 VAL 22 2HG1 VAL 22 17.836 5.168 -24.278
152 HG13 VAL 22 3HG1 VAL 22 16.354 5.138 -25.235
153 HG21 VAL 22 3HG2 VAL 22 14.450 3.962 -24.261
154 HG22 VAL 22 1HG2 VAL 22 15.884 2.942 -24.147
155 HG23 VAL 22 2HG2 VAL 22 14.816 3.121 -22.755
156 H GLU 23 H GLU 23 16.840 5.494 -19.763
157 HA GLU 23 HA GLU 23 17.856 8.043 -20.265
158 HB2 GLU 23 2HB GLU 23 16.898 8.192 -18.242
159 HB3 GLU 23 3HB GLU 23 17.104 6.474 -17.930
160 HG2 GLU 23 2HG GLU 23 19.347 6.827 -17.153
161 HG3 GLU 23 3HG GLU 23 19.277 8.529 -17.606
162 H ASP 24 H ASP 24 19.479 5.049 -19.849
163 HA ASP 24 HA ASP 24 22.049 6.398 -19.406
164 HB2 ASP 24 2HB ASP 24 21.223 3.506 -19.118
165 HB3 ASP 24 3HB ASP 24 22.892 4.056 -18.987
166 H HIS 25 H HIS 25 20.161 5.278 -21.885
167 HA HIS 25 HA HIS 25 20.518 4.731 -24.067
168 HB2 HIS 25 2HB HIS 25 22.207 6.867 -23.421
169 HB3 HIS 25 3HB HIS 25 23.220 5.747 -24.329
170 HD1 HIS 25 HD1 HIS 25 21.724 4.824 -26.607
171 HD2 HIS 25 HD2 HIS 25 21.076 8.640 -25.097
172 HE1 HIS 25 HE1 HIS 25 20.680 6.124 -28.489
Start of MODEL 18
1 H1 THR 1 H THR 1 0.632 0.060 -0.213
2 HA THR 1 HA THR 1 1.765 1.330 -1.734
3 HB THR 1 HB THR 1 3.154 -0.962 -3.012
4 HG1 THR 1 HG1 THR 1 4.636 -0.808 -1.066
5 HG21 THR 1 3HG2 THR 1 4.251 0.854 -3.740
6 HG22 THR 1 1HG2 THR 1 5.007 0.874 -2.147
7 HG23 THR 1 2HG2 THR 1 3.590 1.874 -2.462
8 H GLY 2 H GLY 2 0.191 -1.605 -2.721
9 HA2 GLY 2 2HA GLY 2 0.081 -1.158 -5.500
10 HA3 GLY 2 3HA GLY 2 -1.044 -2.145 -4.579
11 H ASN 3 H ASN 3 -1.799 0.149 -2.864
12 HA ASN 3 HA ASN 3 -3.505 1.544 -4.819
13 HB2 ASN 3 2HB ASN 3 -4.580 -0.033 -3.100
14 HB3 ASN 3 3HB ASN 3 -4.169 1.190 -1.901
15 HD21 ASN 3 1HD2 ASN 3 -6.054 2.063 -1.369
16 HD22 ASN 3 2HD2 ASN 3 -7.190 2.744 -2.479
17 H VAL 4 H VAL 4 -0.920 1.960 -2.797
18 HA VAL 4 HA VAL 4 -1.584 4.753 -2.172
19 HB VAL 4 HB VAL 4 0.782 3.173 -1.165
20 HG11 VAL 4 1HG1 VAL 4 1.385 5.303 -0.689
21 HG12 VAL 4 2HG1 VAL 4 -0.276 5.899 -0.724
22 HG13 VAL 4 3HG1 VAL 4 0.325 5.042 0.696
23 HG21 VAL 4 3HG2 VAL 4 -2.032 3.288 -0.231
24 HG22 VAL 4 1HG2 VAL 4 -0.858 1.974 -0.139
25 HG23 VAL 4 2HG2 VAL 4 -0.764 3.322 0.995
26 H GLY 5 H GLY 5 0.108 2.881 -4.400
27 HA2 GLY 5 2HA GLY 5 1.939 5.108 -5.033
28 HA3 GLY 5 3HA GLY 5 2.218 3.430 -5.474
29 H LEU 6 H LEU 6 -0.961 4.755 -5.818
30 HA LEU 6 HA LEU 6 -0.847 4.323 -8.674
31 HB2 LEU 6 2HB LEU 6 -2.787 3.649 -7.269
32 HB3 LEU 6 3HB LEU 6 -3.127 5.357 -6.995
33 HG LEU 6 HG LEU 6 -2.969 4.596 -9.824
34 HD11 LEU 6 1HD1 LEU 6 -3.977 2.559 -8.921
35 HD12 LEU 6 2HD1 LEU 6 -5.135 3.492 -9.868
36 HD13 LEU 6 3HD1 LEU 6 -5.206 3.528 -8.107
37 HD21 LEU 6 3HD2 LEU 6 -4.366 6.334 -10.045
38 HD22 LEU 6 1HD2 LEU 6 -3.924 6.700 -8.377
39 HD23 LEU 6 2HD2 LEU 6 -5.401 5.798 -8.720
40 H SER 7 H SER 7 -0.063 6.849 -6.689
41 HA SER 7 HA SER 7 -0.653 8.827 -8.794
42 HB2 SER 7 2HB SER 7 -1.134 8.905 -5.919
43 HB3 SER 7 3HB SER 7 -0.190 10.287 -6.476
44 HG SER 7 HG SER 7 -2.443 9.535 -7.952
45 HA PRO 8 HA PRO 8 3.650 10.093 -7.064
46 HB2 PRO 8 2HB PRO 8 4.653 8.691 -4.967
47 HB3 PRO 8 3HB PRO 8 3.618 10.110 -4.767
48 HG2 PRO 8 2HG PRO 8 2.900 7.207 -4.625
49 HG3 PRO 8 3HG PRO 8 2.387 8.539 -3.573
50 HD2 PRO 8 2HD PRO 8 0.816 7.552 -5.545
51 HD3 PRO 8 3HD PRO 8 0.778 9.259 -5.058
52 H GLY 9 H GLY 9 2.617 6.931 -7.675
53 HA2 GLY 9 2HA GLY 9 5.336 6.171 -8.553
54 HA3 GLY 9 3HA GLY 9 4.178 5.010 -7.920
55 H LEU 10 H LEU 10 2.115 6.745 -9.495
56 HA LEU 10 HA LEU 10 2.152 5.056 -11.828
57 HB2 LEU 10 2HB LEU 10 0.042 5.505 -10.788
58 HB3 LEU 10 3HB LEU 10 0.294 7.245 -10.920
59 HG LEU 10 HG LEU 10 0.341 5.918 -13.508
60 HD11 LEU 10 1HD1 LEU 10 -1.222 4.404 -12.351
61 HD12 LEU 10 2HD1 LEU 10 -2.003 5.351 -13.616
62 HD13 LEU 10 3HD1 LEU 10 -2.220 5.794 -11.923
63 HD21 LEU 10 3HD2 LEU 10 -0.563 7.865 -14.162
64 HD22 LEU 10 1HD2 LEU 10 -0.103 8.421 -12.552
65 HD23 LEU 10 2HD2 LEU 10 -1.751 7.870 -12.857
66 H SER 11 H SER 11 2.599 8.491 -11.131
67 HA SER 11 HA SER 11 2.937 9.200 -13.896
68 HB2 SER 11 2HB SER 11 2.206 10.651 -11.773
69 HB3 SER 11 3HB SER 11 3.936 10.993 -11.738
70 HG SER 11 HG SER 11 2.737 12.486 -13.028
71 H THR 12 H THR 12 4.944 7.983 -11.405
72 HA THR 12 HA THR 12 7.415 8.948 -12.575
73 HB THR 12 HB THR 12 6.972 7.002 -10.302
74 HG1 THR 12 HG1 THR 12 6.318 8.974 -9.589
75 HG21 THR 12 3HG2 THR 12 9.382 7.699 -9.782
76 HG22 THR 12 1HG2 THR 12 9.446 8.267 -11.450
77 HG23 THR 12 2HG2 THR 12 9.135 6.565 -11.110
78 H ALA 13 H ALA 13 5.374 6.182 -12.786
79 HA ALA 13 HA ALA 13 7.461 4.516 -13.956
80 HB1 ALA 13 1HB ALA 13 4.724 4.058 -12.925
81 HB2 ALA 13 2HB ALA 13 5.285 2.998 -14.220
82 HB3 ALA 13 3HB ALA 13 6.193 3.105 -12.712
83 H LEU 14 H LEU 14 4.573 6.288 -14.889
84 HA LEU 14 HA LEU 14 4.525 5.284 -17.572
85 HB2 LEU 14 2HB LEU 14 2.907 6.983 -15.911
86 HB3 LEU 14 3HB LEU 14 3.165 7.737 -17.483
87 HG LEU 14 HG LEU 14 1.094 6.477 -17.467
88 HD11 LEU 14 1HD1 LEU 14 2.192 4.602 -19.200
89 HD12 LEU 14 2HD1 LEU 14 3.297 5.974 -19.262
90 HD13 LEU 14 3HD1 LEU 14 1.585 6.205 -19.615
91 HD21 LEU 14 3HD2 LEU 14 1.647 3.837 -17.447
92 HD22 LEU 14 1HD2 LEU 14 1.100 4.739 -16.033
93 HD23 LEU 14 2HD2 LEU 14 2.819 4.416 -16.262
94 H THR 15 H THR 15 6.439 7.532 -15.959
95 HA THR 15 HA THR 15 6.996 9.090 -18.376
96 HB THR 15 HB THR 15 7.947 9.494 -15.534
97 HG1 THR 15 HG1 THR 15 6.492 11.250 -15.598
98 HG21 THR 15 3HG2 THR 15 9.514 10.840 -16.366
99 HG22 THR 15 1HG2 THR 15 8.246 11.833 -17.084
100 HG23 THR 15 2HG2 THR 15 8.963 10.514 -18.009
101 H GLY 16 H GLY 16 8.493 6.846 -16.118
102 HA2 GLY 16 2HA GLY 16 10.977 6.930 -17.696
103 HA3 GLY 16 3HA GLY 16 10.826 6.283 -16.069
104 H PHE 17 H PHE 17 8.167 5.138 -17.439
105 HA PHE 17 HA PHE 17 8.568 2.533 -17.423
106 HB2 PHE 17 2HB PHE 17 6.989 2.246 -19.287
107 HB3 PHE 17 3HB PHE 17 6.465 3.522 -18.193
108 HD1 PHE 17 HD2 PHE 17 7.541 5.920 -18.906
109 HD2 PHE 17 HD1 PHE 17 6.668 2.666 -21.507
110 HE1 PHE 17 HE2 PHE 17 7.386 7.481 -20.802
111 HE2 PHE 17 HE1 PHE 17 6.512 4.221 -23.407
112 HZ PHE 17 HZ PHE 17 6.870 6.632 -23.056
113 H THR 18 H THR 18 9.403 4.453 -20.307
114 HA THR 18 HA THR 18 11.273 2.308 -21.076
115 HB THR 18 HB THR 18 9.999 4.312 -22.945
116 HG1 THR 18 HG1 THR 18 8.632 2.584 -23.538
117 HG21 THR 18 3HG2 THR 18 10.749 2.665 -24.667
118 HG22 THR 18 1HG2 THR 18 11.615 1.803 -23.397
119 HG23 THR 18 2HG2 THR 18 12.071 3.456 -23.810
120 H LEU 19 H LEU 19 10.977 5.540 -20.102
121 HA LEU 19 HA LEU 19 13.378 6.494 -21.392
122 HB2 LEU 19 2HB LEU 19 11.346 7.623 -19.539
123 HB3 LEU 19 3HB LEU 19 12.932 8.389 -19.598
124 HG LEU 19 HG LEU 19 11.421 9.576 -21.041
125 HD11 LEU 19 1HD1 LEU 19 13.122 9.899 -22.420
126 HD12 LEU 19 2HD1 LEU 19 12.730 8.407 -23.275
127 HD13 LEU 19 3HD1 LEU 19 13.836 8.371 -21.902
128 HD21 LEU 19 3HD2 LEU 19 10.031 7.375 -21.382
129 HD22 LEU 19 1HD2 LEU 19 11.046 7.212 -22.815
130 HD23 LEU 19 2HD2 LEU 19 10.034 8.642 -22.610
131 H VAL 20 H VAL 20 12.641 4.701 -18.618
132 HA VAL 20 HA VAL 20 14.802 5.594 -16.961
133 HB VAL 20 HB VAL 20 12.938 3.240 -16.849
134 HG11 VAL 20 1HG1 VAL 20 15.388 3.734 -15.177
135 HG12 VAL 20 2HG1 VAL 20 14.037 2.747 -14.615
136 HG13 VAL 20 3HG1 VAL 20 14.937 2.273 -16.056
137 HG21 VAL 20 3HG2 VAL 20 12.902 5.881 -15.853
138 HG22 VAL 20 1HG2 VAL 20 11.737 4.590 -15.559
139 HG23 VAL 20 2HG2 VAL 20 13.106 4.809 -14.467
140 HA PRO 21 HA PRO 21 16.838 1.470 -18.473
141 HB2 PRO 21 2HB PRO 21 15.722 0.271 -20.638
142 HB3 PRO 21 3HB PRO 21 15.234 -0.095 -18.979
143 HG2 PRO 21 2HG PRO 21 13.927 1.702 -20.985
144 HG3 PRO 21 3HG PRO 21 13.183 0.536 -19.875
145 HD2 PRO 21 2HD PRO 21 13.233 3.197 -19.374
146 HD3 PRO 21 3HD PRO 21 13.295 1.981 -18.082
147 H VAL 22 H VAL 22 15.513 3.821 -20.658
148 HA VAL 22 HA VAL 22 17.768 3.512 -22.505
149 HB VAL 22 HB VAL 22 15.337 5.285 -22.778
150 HG11 VAL 22 1HG1 VAL 22 17.746 4.799 -24.432
151 HG12 VAL 22 2HG1 VAL 22 16.204 4.952 -25.277
152 HG13 VAL 22 3HG1 VAL 22 16.776 6.259 -24.240
153 HG21 VAL 22 3HG2 VAL 22 14.426 3.639 -24.263
154 HG22 VAL 22 1HG2 VAL 22 15.883 2.653 -24.140
155 HG23 VAL 22 2HG2 VAL 22 14.826 2.843 -22.741
156 H GLU 23 H GLU 23 16.832 5.331 -19.831
157 HA GLU 23 HA GLU 23 17.787 7.888 -20.405
158 HB2 GLU 23 2HB GLU 23 16.851 8.066 -18.374
159 HB3 GLU 23 3HB GLU 23 17.094 6.361 -18.025
160 HG2 GLU 23 2HG GLU 23 19.341 6.777 -17.286
161 HG3 GLU 23 3HG GLU 23 19.227 8.467 -17.773
162 H ASP 24 H ASP 24 19.479 4.941 -19.943
163 HA ASP 24 HA ASP 24 21.983 6.084 -19.149
164 HB2 ASP 24 2HB ASP 24 21.194 3.683 -18.753
165 HB3 ASP 24 3HB ASP 24 21.608 3.385 -20.439
166 H HIS 25 H HIS 25 20.306 6.150 -22.009
167 HA HIS 25 HA HIS 25 20.831 6.606 -24.178
168 HB2 HIS 25 2HB HIS 25 22.290 8.318 -22.567
169 HB3 HIS 25 3HB HIS 25 23.503 7.672 -23.669
170 HD1 HIS 25 HD1 HIS 25 20.052 9.263 -23.905
171 HD2 HIS 25 HD2 HIS 25 23.626 9.018 -26.009
172 HE1 HIS 25 HE1 HIS 25 19.770 10.783 -25.888
Start of MODEL 19
1 H1 THR 1 H THR 1 -0.349 0.066 -0.043
2 HA THR 1 HA THR 1 1.345 2.001 -0.751
3 HB THR 1 HB THR 1 2.955 -0.558 -0.846
4 HG1 THR 1 HG1 THR 1 3.192 1.760 0.799
5 HG21 THR 1 3HG2 THR 1 3.832 0.594 -2.607
6 HG22 THR 1 1HG2 THR 1 4.741 1.368 -1.310
7 HG23 THR 1 2HG2 THR 1 3.316 2.160 -1.983
8 H GLY 2 H GLY 2 0.258 -1.222 -1.560
9 HA2 GLY 2 2HA GLY 2 0.682 -1.180 -4.331
10 HA3 GLY 2 3HA GLY 2 -0.554 -2.120 -3.508
11 H ASN 3 H ASN 3 -1.875 0.223 -2.380
12 HA ASN 3 HA ASN 3 -3.231 1.123 -4.826
13 HB2 ASN 3 2HB ASN 3 -4.193 0.941 -1.966
14 HB3 ASN 3 3HB ASN 3 -5.123 1.683 -3.264
15 HD21 ASN 3 1HD2 ASN 3 -6.046 0.400 -4.836
16 HD22 ASN 3 2HD2 ASN 3 -6.176 -1.316 -4.678
17 H VAL 4 H VAL 4 -1.025 2.172 -2.595
18 HA VAL 4 HA VAL 4 -1.940 4.952 -2.599
19 HB VAL 4 HB VAL 4 0.491 3.821 -1.214
20 HG11 VAL 4 1HG1 VAL 4 -0.031 5.882 0.260
21 HG12 VAL 4 2HG1 VAL 4 0.765 6.124 -1.296
22 HG13 VAL 4 3HG1 VAL 4 -0.964 6.435 -1.130
23 HG21 VAL 4 3HG2 VAL 4 -1.505 2.673 -0.414
24 HG22 VAL 4 1HG2 VAL 4 -0.871 3.761 0.821
25 HG23 VAL 4 2HG2 VAL 4 -2.291 4.223 -0.117
26 H GLY 5 H GLY 5 0.057 2.902 -4.372
27 HA2 GLY 5 2HA GLY 5 1.899 5.033 -5.175
28 HA3 GLY 5 3HA GLY 5 2.031 3.334 -5.604
29 H LEU 6 H LEU 6 -1.064 4.796 -5.933
30 HA LEU 6 HA LEU 6 -0.956 4.423 -8.799
31 HB2 LEU 6 2HB LEU 6 -2.961 4.399 -6.805
32 HB3 LEU 6 3HB LEU 6 -3.374 5.677 -7.946
33 HG LEU 6 HG LEU 6 -4.488 3.609 -8.542
34 HD11 LEU 6 1HD1 LEU 6 -2.859 3.364 -10.789
35 HD12 LEU 6 2HD1 LEU 6 -2.660 5.032 -10.254
36 HD13 LEU 6 3HD1 LEU 6 -4.271 4.405 -10.602
37 HD21 LEU 6 3HD2 LEU 6 -2.702 1.844 -9.500
38 HD22 LEU 6 1HD2 LEU 6 -3.365 1.770 -7.868
39 HD23 LEU 6 2HD2 LEU 6 -1.783 2.498 -8.144
40 H SER 7 H SER 7 -0.141 6.889 -6.745
41 HA SER 7 HA SER 7 -0.674 8.924 -8.810
42 HB2 SER 7 2HB SER 7 -1.184 8.946 -5.940
43 HB3 SER 7 3HB SER 7 -0.211 10.324 -6.455
44 HG SER 7 HG SER 7 -2.611 9.546 -7.746
45 HA PRO 8 HA PRO 8 3.632 10.075 -7.007
46 HB2 PRO 8 2HB PRO 8 4.587 8.609 -4.932
47 HB3 PRO 8 3HB PRO 8 3.575 10.041 -4.710
48 HG2 PRO 8 2HG PRO 8 2.805 7.149 -4.642
49 HG3 PRO 8 3HG PRO 8 2.304 8.465 -3.566
50 HD2 PRO 8 2HD PRO 8 0.737 7.551 -5.576
51 HD3 PRO 8 3HD PRO 8 0.724 9.247 -5.051
52 H GLY 9 H GLY 9 2.551 6.947 -7.701
53 HA2 GLY 9 2HA GLY 9 5.266 6.158 -8.566
54 HA3 GLY 9 3HA GLY 9 4.080 5.005 -7.973
55 H LEU 10 H LEU 10 2.066 6.810 -9.530
56 HA LEU 10 HA LEU 10 2.099 5.174 -11.899
57 HB2 LEU 10 2HB LEU 10 -0.011 5.651 -10.851
58 HB3 LEU 10 3HB LEU 10 0.269 7.386 -10.985
59 HG LEU 10 HG LEU 10 0.257 5.926 -13.539
60 HD11 LEU 10 1HD1 LEU 10 -1.514 4.773 -12.184
61 HD12 LEU 10 2HD1 LEU 10 -2.087 5.572 -13.647
62 HD13 LEU 10 3HD1 LEU 10 -2.341 6.327 -12.073
63 HD21 LEU 10 3HD2 LEU 10 -1.022 8.448 -12.495
64 HD22 LEU 10 1HD2 LEU 10 -1.157 7.874 -14.157
65 HD23 LEU 10 2HD2 LEU 10 0.419 8.320 -13.504
66 H SER 11 H SER 11 2.598 8.584 -11.120
67 HA SER 11 HA SER 11 2.978 9.349 -13.865
68 HB2 SER 11 2HB SER 11 2.193 10.796 -11.814
69 HB3 SER 11 3HB SER 11 3.924 11.026 -11.568
70 HG SER 11 HG SER 11 2.301 11.844 -13.708
71 H THR 12 H THR 12 4.936 8.041 -11.380
72 HA THR 12 HA THR 12 7.436 8.989 -12.502
73 HB THR 12 HB THR 12 6.935 7.000 -10.279
74 HG1 THR 12 HG1 THR 12 7.876 9.663 -10.019
75 HG21 THR 12 3HG2 THR 12 9.429 8.192 -11.435
76 HG22 THR 12 1HG2 THR 12 9.095 6.518 -10.994
77 HG23 THR 12 2HG2 THR 12 9.367 7.723 -9.736
78 H ALA 13 H ALA 13 5.350 6.264 -12.798
79 HA ALA 13 HA ALA 13 7.421 4.589 -13.983
80 HB1 ALA 13 1HB ALA 13 4.551 4.122 -13.242
81 HB2 ALA 13 2HB ALA 13 5.451 2.977 -14.238
82 HB3 ALA 13 3HB ALA 13 6.000 3.346 -12.603
83 H LEU 14 H LEU 14 4.574 6.432 -14.906
84 HA LEU 14 HA LEU 14 4.538 5.491 -17.612
85 HB2 LEU 14 2HB LEU 14 2.932 7.179 -15.930
86 HB3 LEU 14 3HB LEU 14 3.220 7.964 -17.481
87 HG LEU 14 HG LEU 14 1.127 6.741 -17.516
88 HD11 LEU 14 1HD1 LEU 14 3.341 6.240 -19.299
89 HD12 LEU 14 2HD1 LEU 14 1.638 6.511 -19.664
90 HD13 LEU 14 3HD1 LEU 14 2.209 4.887 -19.281
91 HD21 LEU 14 3HD2 LEU 14 1.635 4.092 -17.552
92 HD22 LEU 14 1HD2 LEU 14 1.087 4.970 -16.124
93 HD23 LEU 14 2HD2 LEU 14 2.803 4.623 -16.341
94 H THR 15 H THR 15 6.473 7.667 -15.928
95 HA THR 15 HA THR 15 7.083 9.270 -18.302
96 HB THR 15 HB THR 15 8.010 9.592 -15.442
97 HG1 THR 15 HG1 THR 15 6.306 10.832 -15.240
98 HG21 THR 15 3HG2 THR 15 8.366 11.959 -16.936
99 HG22 THR 15 1HG2 THR 15 9.071 10.650 -17.883
100 HG23 THR 15 2HG2 THR 15 9.609 10.929 -16.226
101 H GLY 16 H GLY 16 8.517 6.949 -16.081
102 HA2 GLY 16 2HA GLY 16 11.018 7.026 -17.630
103 HA3 GLY 16 3HA GLY 16 10.839 6.344 -16.020
104 H PHE 17 H PHE 17 8.175 5.277 -17.444
105 HA PHE 17 HA PHE 17 8.531 2.666 -17.483
106 HB2 PHE 17 2HB PHE 17 6.967 2.449 -19.370
107 HB3 PHE 17 3HB PHE 17 6.454 3.709 -18.252
108 HD1 PHE 17 HD2 PHE 17 7.579 6.104 -18.900
109 HD2 PHE 17 HD1 PHE 17 6.678 2.925 -21.583
110 HE1 PHE 17 HE2 PHE 17 7.472 7.710 -20.760
111 HE2 PHE 17 HE1 PHE 17 6.570 4.526 -23.448
112 HZ PHE 17 HZ PHE 17 6.966 6.922 -23.038
113 H THR 18 H THR 18 9.430 4.637 -20.314
114 HA THR 18 HA THR 18 11.272 2.477 -21.112
115 HB THR 18 HB THR 18 10.053 4.545 -22.948
116 HG1 THR 18 HG1 THR 18 8.625 2.911 -23.564
117 HG21 THR 18 3HG2 THR 18 12.119 3.672 -23.810
118 HG22 THR 18 1HG2 THR 18 10.793 2.925 -24.700
119 HG23 THR 18 2HG2 THR 18 11.630 2.019 -23.440
120 H LEU 19 H LEU 19 11.021 5.690 -20.067
121 HA LEU 19 HA LEU 19 13.452 6.632 -21.310
122 HB2 LEU 19 2HB LEU 19 11.419 7.753 -19.453
123 HB3 LEU 19 3HB LEU 19 13.019 8.492 -19.477
124 HG LEU 19 HG LEU 19 11.545 9.738 -20.909
125 HD11 LEU 19 1HD1 LEU 19 13.267 10.063 -22.262
126 HD12 LEU 19 2HD1 LEU 19 12.858 8.598 -23.155
127 HD13 LEU 19 3HD1 LEU 19 13.948 8.511 -21.771
128 HD21 LEU 19 3HD2 LEU 19 10.159 8.864 -22.512
129 HD22 LEU 19 1HD2 LEU 19 10.122 7.569 -21.315
130 HD23 LEU 19 2HD2 LEU 19 11.149 7.422 -22.741
131 H VAL 20 H VAL 20 12.654 4.789 -18.585
132 HA VAL 20 HA VAL 20 14.812 5.606 -16.886
133 HB VAL 20 HB VAL 20 12.906 3.284 -16.847
134 HG11 VAL 20 1HG1 VAL 20 14.051 2.912 -14.511
135 HG12 VAL 20 2HG1 VAL 20 14.698 2.153 -15.968
136 HG13 VAL 20 3HG1 VAL 20 15.446 3.617 -15.327
137 HG21 VAL 20 3HG2 VAL 20 11.715 4.625 -15.535
138 HG22 VAL 20 1HG2 VAL 20 13.079 4.797 -14.430
139 HG23 VAL 20 2HG2 VAL 20 12.903 5.902 -15.794
140 HA PRO 21 HA PRO 21 16.792 1.481 -18.470
141 HB2 PRO 21 2HB PRO 21 15.678 0.352 -20.673
142 HB3 PRO 21 3HB PRO 21 15.166 -0.043 -19.028
143 HG2 PRO 21 2HG PRO 21 13.912 1.822 -21.006
144 HG3 PRO 21 3HG PRO 21 13.136 0.645 -19.931
145 HD2 PRO 21 2HD PRO 21 13.227 3.292 -19.369
146 HD3 PRO 21 3HD PRO 21 13.254 2.047 -18.105
147 H VAL 22 H VAL 22 15.532 3.905 -20.614
148 HA VAL 22 HA VAL 22 17.801 3.597 -22.444
149 HB VAL 22 HB VAL 22 15.405 5.419 -22.702
150 HG11 VAL 22 1HG1 VAL 22 17.877 5.110 -24.206
151 HG12 VAL 22 2HG1 VAL 22 16.436 4.942 -25.210
152 HG13 VAL 22 3HG1 VAL 22 16.678 6.402 -24.251
153 HG21 VAL 22 3HG2 VAL 22 14.851 2.986 -22.727
154 HG22 VAL 22 1HG2 VAL 22 14.482 3.825 -24.234
155 HG23 VAL 22 2HG2 VAL 22 15.918 2.808 -24.119
156 H GLU 23 H GLU 23 16.868 5.372 -19.739
157 HA GLU 23 HA GLU 23 17.873 7.924 -20.245
158 HB2 GLU 23 2HB GLU 23 16.919 8.073 -18.220
159 HB3 GLU 23 3HB GLU 23 17.129 6.356 -17.908
160 HG2 GLU 23 2HG GLU 23 19.374 6.716 -17.137
161 HG3 GLU 23 3HG GLU 23 19.295 8.419 -17.586
162 H ASP 24 H ASP 24 19.509 4.938 -19.833
163 HA ASP 24 HA ASP 24 22.023 6.019 -18.987
164 HB2 ASP 24 2HB ASP 24 21.247 3.333 -20.134
165 HB3 ASP 24 3HB ASP 24 22.882 3.732 -19.614
166 H HIS 25 H HIS 25 20.379 6.180 -21.862
167 HA HIS 25 HA HIS 25 22.316 5.704 -23.815
168 HB2 HIS 25 2HB HIS 25 19.893 6.115 -24.251
169 HB3 HIS 25 3HB HIS 25 20.156 7.821 -23.898
170 HD1 HIS 25 HD1 HIS 25 20.443 9.177 -25.932
171 HD2 HIS 25 HD2 HIS 25 21.803 5.290 -26.479
172 HE1 HIS 25 HE1 HIS 25 21.224 9.068 -28.320
Start of MODEL 20
1 H1 THR 1 H THR 1 1.977 -0.262 -0.325
2 HA THR 1 HA THR 1 1.998 2.021 -1.963
3 HB THR 1 HB THR 1 3.610 -0.300 -2.855
4 HG1 THR 1 HG1 THR 1 4.008 0.943 -0.318
5 HG21 THR 1 3HG2 THR 1 3.687 2.460 -3.143
6 HG22 THR 1 1HG2 THR 1 4.958 1.324 -3.592
7 HG23 THR 1 2HG2 THR 1 4.993 2.107 -2.012
8 H GLY 2 H GLY 2 0.726 -1.179 -2.452
9 HA2 GLY 2 2HA GLY 2 0.621 -1.206 -5.267
10 HA3 GLY 2 3HA GLY 2 -0.421 -2.132 -4.197
11 H ASN 3 H ASN 3 -1.662 0.023 -2.860
12 HA ASN 3 HA ASN 3 -3.298 1.100 -5.056
13 HB2 ASN 3 2HB ASN 3 -4.014 0.453 -2.192
14 HB3 ASN 3 3HB ASN 3 -5.084 1.319 -3.290
15 HD21 ASN 3 1HD2 ASN 3 -4.902 0.038 -5.603
16 HD22 ASN 3 2HD2 ASN 3 -5.384 -1.614 -5.450
17 H VAL 4 H VAL 4 -0.984 1.981 -2.862
18 HA VAL 4 HA VAL 4 -2.046 4.693 -2.489
19 HB VAL 4 HB VAL 4 0.432 3.512 -1.235
20 HG11 VAL 4 1HG1 VAL 4 -0.482 5.426 0.452
21 HG12 VAL 4 2HG1 VAL 4 0.739 5.697 -0.793
22 HG13 VAL 4 3HG1 VAL 4 -0.949 6.103 -1.107
23 HG21 VAL 4 3HG2 VAL 4 -2.434 3.427 -0.378
24 HG22 VAL 4 1HG2 VAL 4 -1.219 2.148 -0.353
25 HG23 VAL 4 2HG2 VAL 4 -1.145 3.459 0.825
26 H GLY 5 H GLY 5 0.031 2.942 -4.478
27 HA2 GLY 5 2HA GLY 5 1.708 5.283 -5.069
28 HA3 GLY 5 3HA GLY 5 2.042 3.632 -5.570
29 H LEU 6 H LEU 6 -1.151 4.964 -5.908
30 HA LEU 6 HA LEU 6 -1.017 4.587 -8.770
31 HB2 LEU 6 2HB LEU 6 -3.156 5.138 -6.779
32 HB3 LEU 6 3HB LEU 6 -3.458 5.556 -8.464
33 HG LEU 6 HG LEU 6 -4.362 3.346 -7.806
34 HD11 LEU 6 1HD1 LEU 6 -4.174 3.075 -10.004
35 HD12 LEU 6 2HD1 LEU 6 -2.667 2.216 -9.686
36 HD13 LEU 6 3HD1 LEU 6 -2.638 3.940 -10.052
37 HD21 LEU 6 3HD2 LEU 6 -2.957 1.521 -7.276
38 HD22 LEU 6 1HD2 LEU 6 -2.450 2.849 -6.230
39 HD23 LEU 6 2HD2 LEU 6 -1.498 2.438 -7.657
40 H SER 7 H SER 7 -0.217 7.065 -6.732
41 HA SER 7 HA SER 7 -0.760 9.089 -8.807
42 HB2 SER 7 2HB SER 7 -1.267 9.122 -5.936
43 HB3 SER 7 3HB SER 7 -0.300 10.501 -6.458
44 HG SER 7 HG SER 7 -2.371 11.128 -6.753
45 HA PRO 8 HA PRO 8 3.543 10.264 -7.013
46 HB2 PRO 8 2HB PRO 8 4.506 8.811 -4.932
47 HB3 PRO 8 3HB PRO 8 3.489 10.241 -4.716
48 HG2 PRO 8 2HG PRO 8 2.730 7.346 -4.633
49 HG3 PRO 8 3HG PRO 8 2.225 8.666 -3.563
50 HD2 PRO 8 2HD PRO 8 0.660 7.736 -5.567
51 HD3 PRO 8 3HD PRO 8 0.640 9.434 -5.050
52 H GLY 9 H GLY 9 2.473 7.128 -7.691
53 HA2 GLY 9 2HA GLY 9 5.190 6.346 -8.555
54 HA3 GLY 9 3HA GLY 9 4.010 5.191 -7.955
55 H LEU 10 H LEU 10 1.987 6.982 -9.519
56 HA LEU 10 HA LEU 10 2.025 5.334 -11.881
57 HB2 LEU 10 2HB LEU 10 -0.066 5.893 -10.726
58 HB3 LEU 10 3HB LEU 10 0.188 7.596 -11.102
59 HG LEU 10 HG LEU 10 0.250 6.453 -13.585
60 HD11 LEU 10 1HD1 LEU 10 -0.486 4.312 -12.348
61 HD12 LEU 10 2HD1 LEU 10 -1.351 4.790 -13.808
62 HD13 LEU 10 3HD1 LEU 10 -2.053 5.112 -12.222
63 HD21 LEU 10 3HD2 LEU 10 -2.334 7.315 -12.339
64 HD22 LEU 10 1HD2 LEU 10 -1.719 7.624 -13.963
65 HD23 LEU 10 2HD2 LEU 10 -1.017 8.464 -12.580
66 H SER 11 H SER 11 2.512 8.750 -11.117
67 HA SER 11 HA SER 11 2.885 9.504 -13.866
68 HB2 SER 11 2HB SER 11 2.760 10.856 -11.271
69 HB3 SER 11 3HB SER 11 3.962 11.551 -12.358
70 HG SER 11 HG SER 11 1.378 11.952 -12.402
71 H THR 12 H THR 12 4.851 8.215 -11.378
72 HA THR 12 HA THR 12 7.346 9.168 -12.506
73 HB THR 12 HB THR 12 6.913 7.142 -10.303
74 HG1 THR 12 HG1 THR 12 7.044 8.843 -8.911
75 HG21 THR 12 3HG2 THR 12 9.114 6.824 -10.468
76 HG22 THR 12 1HG2 THR 12 9.333 8.499 -9.964
77 HG23 THR 12 2HG2 THR 12 9.264 8.096 -11.680
78 H ALA 13 H ALA 13 5.271 6.434 -12.787
79 HA ALA 13 HA ALA 13 7.348 4.762 -13.967
80 HB1 ALA 13 1HB ALA 13 4.477 4.284 -13.233
81 HB2 ALA 13 2HB ALA 13 5.394 3.135 -14.208
82 HB3 ALA 13 3HB ALA 13 5.927 3.527 -12.573
83 H LEU 14 H LEU 14 4.493 6.589 -14.895
84 HA LEU 14 HA LEU 14 4.458 5.635 -17.597
85 HB2 LEU 14 2HB LEU 14 2.846 7.325 -15.921
86 HB3 LEU 14 3HB LEU 14 3.129 8.103 -17.477
87 HG LEU 14 HG LEU 14 1.042 6.871 -17.503
88 HD11 LEU 14 1HD1 LEU 14 1.549 6.629 -19.651
89 HD12 LEU 14 2HD1 LEU 14 2.134 5.013 -19.259
90 HD13 LEU 14 3HD1 LEU 14 3.256 6.373 -19.286
91 HD21 LEU 14 3HD2 LEU 14 2.728 4.764 -16.322
92 HD22 LEU 14 1HD2 LEU 14 1.558 4.225 -17.526
93 HD23 LEU 14 2HD2 LEU 14 1.012 5.107 -16.100
94 H THR 15 H THR 15 6.385 7.827 -15.924
95 HA THR 15 HA THR 15 6.986 9.422 -18.307
96 HB THR 15 HB THR 15 7.915 9.761 -15.449
97 HG1 THR 15 HG1 THR 15 6.255 11.080 -15.258
98 HG21 THR 15 3HG2 THR 15 8.259 12.122 -16.954
99 HG22 THR 15 1HG2 THR 15 8.969 10.812 -17.895
100 HG23 THR 15 2HG2 THR 15 9.508 11.101 -16.241
101 H GLY 16 H GLY 16 8.432 7.116 -16.076
102 HA2 GLY 16 2HA GLY 16 10.932 7.197 -17.628
103 HA3 GLY 16 3HA GLY 16 10.756 6.522 -16.015
104 H PHE 17 H PHE 17 8.096 5.437 -17.432
105 HA PHE 17 HA PHE 17 8.462 2.828 -17.460
106 HB2 PHE 17 2HB PHE 17 6.898 2.596 -19.343
107 HB3 PHE 17 3HB PHE 17 6.380 3.859 -18.231
108 HD1 PHE 17 HD1 PHE 17 7.496 6.255 -18.891
109 HD2 PHE 17 HD2 PHE 17 6.604 3.060 -21.558
110 HE1 PHE 17 HE1 PHE 17 7.380 7.852 -20.759
111 HE2 PHE 17 HE2 PHE 17 6.487 4.652 -23.431
112 HZ PHE 17 HZ PHE 17 6.876 7.051 -23.033
113 H THR 18 H THR 18 9.351 4.790 -20.299
114 HA THR 18 HA THR 18 11.201 2.634 -21.090
115 HB THR 18 HB THR 18 9.972 4.689 -22.934
116 HG1 THR 18 HG1 THR 18 8.490 3.135 -23.480
117 HG21 THR 18 3HG2 THR 18 11.560 2.168 -23.416
118 HG22 THR 18 1HG2 THR 18 12.041 3.821 -23.795
119 HG23 THR 18 2HG2 THR 18 10.716 3.064 -24.679
120 H LEU 19 H LEU 19 10.938 5.850 -20.059
121 HA LEU 19 HA LEU 19 13.364 6.797 -21.308
122 HB2 LEU 19 2HB LEU 19 11.328 7.918 -19.454
123 HB3 LEU 19 3HB LEU 19 12.925 8.663 -19.483
124 HG LEU 19 HG LEU 19 11.444 9.897 -20.918
125 HD11 LEU 19 1HD1 LEU 19 12.759 8.754 -23.160
126 HD12 LEU 19 2HD1 LEU 19 13.851 8.676 -21.778
127 HD13 LEU 19 3HD1 LEU 19 13.165 10.224 -22.273
128 HD21 LEU 19 3HD2 LEU 19 10.028 7.722 -21.314
129 HD22 LEU 19 1HD2 LEU 19 11.056 7.571 -22.740
130 HD23 LEU 19 2HD2 LEU 19 10.062 9.011 -22.518
131 H VAL 20 H VAL 20 12.575 4.962 -18.575
132 HA VAL 20 HA VAL 20 14.732 5.795 -16.880
133 HB VAL 20 HB VAL 20 12.835 3.466 -16.830
134 HG11 VAL 20 1HG1 VAL 20 14.584 2.324 -15.918
135 HG12 VAL 20 2HG1 VAL 20 15.397 3.789 -15.362
136 HG13 VAL 20 3HG1 VAL 20 14.010 3.157 -14.474
137 HG21 VAL 20 3HG2 VAL 20 12.825 6.088 -15.786
138 HG22 VAL 20 1HG2 VAL 20 11.640 4.808 -15.526
139 HG23 VAL 20 2HG2 VAL 20 13.001 4.989 -14.419
140 HA PRO 21 HA PRO 21 16.727 1.672 -18.449
141 HB2 PRO 21 2HB PRO 21 15.616 0.529 -20.646
142 HB3 PRO 21 3HB PRO 21 15.107 0.139 -18.999
143 HG2 PRO 21 2HG PRO 21 13.844 1.990 -20.984
144 HG3 PRO 21 3HG PRO 21 13.073 0.815 -19.902
145 HD2 PRO 21 2HD PRO 21 13.154 3.465 -19.353
146 HD3 PRO 21 3HD PRO 21 13.187 2.225 -18.083
147 H VAL 22 H VAL 22 15.455 4.082 -20.602
148 HA VAL 22 HA VAL 22 17.724 3.775 -22.433
149 HB VAL 22 HB VAL 22 15.320 5.586 -22.697
150 HG11 VAL 22 1HG1 VAL 22 17.665 4.974 -24.450
151 HG12 VAL 22 2HG1 VAL 22 16.120 5.446 -25.161
152 HG13 VAL 22 3HG1 VAL 22 16.947 6.533 -24.044
153 HG21 VAL 22 3HG2 VAL 22 15.843 2.971 -24.103
154 HG22 VAL 22 1HG2 VAL 22 14.777 3.152 -22.710
155 HG23 VAL 22 2HG2 VAL 22 14.402 3.980 -24.221
156 H GLU 23 H GLU 23 16.786 5.558 -19.735
157 HA GLU 23 HA GLU 23 17.781 8.111 -20.253
158 HB2 GLU 23 2HB GLU 23 16.828 8.265 -18.228
159 HB3 GLU 23 3HB GLU 23 17.045 6.550 -17.908
160 HG2 GLU 23 2HG GLU 23 19.289 6.922 -17.140
161 HG3 GLU 23 3HG GLU 23 19.203 8.622 -17.597
162 H ASP 24 H ASP 24 19.429 5.134 -19.829
163 HA ASP 24 HA ASP 24 21.940 6.228 -18.990
164 HB2 ASP 24 2HB ASP 24 21.114 3.830 -18.648
165 HB3 ASP 24 3HB ASP 24 21.543 3.559 -20.335
166 H HIS 25 H HIS 25 20.292 6.370 -21.865
167 HA HIS 25 HA HIS 25 22.762 6.496 -23.460
168 HB2 HIS 25 2HB HIS 25 20.063 5.529 -24.018
169 HB3 HIS 25 3HB HIS 25 20.655 6.640 -25.249
170 HD1 HIS 25 HD1 HIS 25 21.826 3.484 -23.476
171 HD2 HIS 25 HD2 HIS 25 22.215 5.450 -27.116
172 HE1 HIS 25 HE1 HIS 25 23.164 1.935 -24.938