NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
643269 |
6rqs   |
34400 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ARG 1 HN ARG 1 -11.118 -1.042 3.101
2 HA ARG 1 HA ARG 1 -11.702 0.895 0.964
3 HB2 ARG 1 HB2 ARG 1 -9.295 0.800 2.805
4 HB3 ARG 1 HB3 ARG 1 -9.699 2.082 1.671
5 HG2 ARG 1 HG2 ARG 1 -11.279 1.315 4.114
6 HG3 ARG 1 HG3 ARG 1 -10.230 2.726 3.948
7 HD2 ARG 1 HD2 ARG 1 -11.653 3.636 2.236
8 HD3 ARG 1 HD3 ARG 1 -12.653 2.184 2.240
9 HE ARG 1 HE ARG 1 -12.990 2.896 4.726
10 HH11 ARG 1 HH11 ARG 1 -12.748 5.005 1.951
11 HH12 ARG 1 HH12 ARG 1 -13.819 6.204 2.594
12 HH21 ARG 1 HH21 ARG 1 -14.408 4.465 5.594
13 HH22 ARG 1 HH22 ARG 1 -14.754 5.909 4.684
14 H ARG 2 HN ARG 2 -11.478 -0.297 -0.873
15 HA ARG 2 HA ARG 2 -9.761 -2.459 -1.191
16 HB2 ARG 2 HB2 ARG 2 -10.384 -2.518 -3.464
17 HB3 ARG 2 HB3 ARG 2 -11.778 -1.908 -2.589
18 HG2 ARG 2 HG2 ARG 2 -9.825 -0.130 -4.023
19 HG3 ARG 2 HG3 ARG 2 -11.261 -0.803 -4.786
20 HD2 ARG 2 HD2 ARG 2 -12.644 0.301 -3.069
21 HD3 ARG 2 HD3 ARG 2 -11.187 1.029 -2.392
22 HE ARG 2 HE ARG 2 -11.030 1.854 -4.917
23 HH11 ARG 2 HH11 ARG 2 -13.777 1.807 -2.733
24 HH12 ARG 2 HH12 ARG 2 -14.519 3.209 -3.437
25 HH21 ARG 2 HH21 ARG 2 -11.995 3.686 -5.828
26 HH22 ARG 2 HH22 ARG 2 -13.517 4.264 -5.221
27 H TRP 3 HN TRP 3 -9.159 0.932 -1.782
28 HA TRP 3 HA TRP 3 -6.806 0.472 -3.320
29 HB2 TRP 3 HB2 TRP 3 -6.385 2.910 -3.033
30 HB3 TRP 3 HB3 TRP 3 -7.978 2.531 -3.675
31 HD1 TRP 3 HD1 TRP 3 -10.079 2.871 -1.964
32 HE1 TRP 3 HE1 TRP 3 -10.364 4.519 -0.007
33 HE3 TRP 3 HE3 TRP 3 -5.169 4.068 -1.195
34 HZ2 TRP 3 HZ2 TRP 3 -8.718 6.105 1.653
35 HZ3 TRP 3 HZ3 TRP 3 -4.610 5.657 0.591
36 HH2 TRP 3 HH2 TRP 3 -6.348 6.657 1.989
37 H ARG 4 HN ARG 4 -7.449 0.884 0.081
38 HA ARG 4 HA ARG 4 -4.823 1.344 0.956
39 HB2 ARG 4 HB2 ARG 4 -7.212 0.137 2.321
40 HB3 ARG 4 HB3 ARG 4 -5.663 0.326 3.133
41 HG2 ARG 4 HG2 ARG 4 -7.221 2.581 1.884
42 HG3 ARG 4 HG3 ARG 4 -7.261 2.162 3.596
43 HD2 ARG 4 HD2 ARG 4 -4.792 2.974 2.052
44 HD3 ARG 4 HD3 ARG 4 -5.723 4.034 3.110
45 HE ARG 4 HE ARG 4 -3.975 1.835 3.930
46 HH11 ARG 4 HH11 ARG 4 -6.278 4.306 4.847
47 HH12 ARG 4 HH12 ARG 4 -5.743 4.373 6.499
48 HH21 ARG 4 HH21 ARG 4 -3.286 1.881 6.103
49 HH22 ARG 4 HH22 ARG 4 -4.050 2.976 7.224
50 H ARG 5 HN ARG 5 -6.475 -1.538 -0.008
51 HA ARG 5 HA ARG 5 -4.751 -3.491 0.993
52 HB2 ARG 5 HB2 ARG 5 -6.869 -4.043 -0.086
53 HB3 ARG 5 HB3 ARG 5 -6.275 -3.426 -1.621
54 HG2 ARG 5 HG2 ARG 5 -4.591 -5.196 -1.675
55 HG3 ARG 5 HG3 ARG 5 -5.207 -5.821 -0.143
56 HD2 ARG 5 HD2 ARG 5 -7.377 -6.246 -1.173
57 HD3 ARG 5 HD3 ARG 5 -6.805 -5.569 -2.696
58 HE ARG 5 HE ARG 5 -5.304 -7.825 -1.652
59 HH11 ARG 5 HH11 ARG 5 -7.873 -6.756 -3.777
60 HH12 ARG 5 HH12 ARG 5 -7.761 -8.132 -4.829
61 HH21 ARG 5 HH21 ARG 5 -5.171 -9.660 -3.011
62 HH22 ARG 5 HH22 ARG 5 -6.239 -9.795 -4.383
63 H TRP 6 HN TRP 6 -4.629 -1.761 -2.117
64 HA TRP 6 HA TRP 6 -2.087 -2.839 -2.865
65 HB2 TRP 6 HB2 TRP 6 -3.373 -0.322 -3.933
66 HB3 TRP 6 HB3 TRP 6 -2.191 -1.346 -4.740
67 HD1 TRP 6 HD1 TRP 6 -3.396 -4.139 -4.712
68 HE1 TRP 6 HE1 TRP 6 -5.632 -4.678 -5.840
69 HE3 TRP 6 HE3 TRP 6 -5.408 0.556 -4.829
70 HZ2 TRP 6 HZ2 TRP 6 -7.955 -3.309 -6.674
71 HZ3 TRP 6 HZ3 TRP 6 -7.645 0.856 -5.808
72 HH2 TRP 6 HH2 TRP 6 -8.893 -1.040 -6.713
73 H TRP 7 HN TRP 7 -3.224 -0.002 -1.213
74 HA TRP 7 HA TRP 7 -1.055 1.698 -1.204
75 HB2 TRP 7 HB2 TRP 7 -3.269 2.198 -0.245
76 HB3 TRP 7 HB3 TRP 7 -2.949 1.089 1.080
77 HD1 TRP 7 HD1 TRP 7 -1.208 1.919 2.969
78 HE1 TRP 7 HE1 TRP 7 -0.482 4.290 3.655
79 HE3 TRP 7 HE3 TRP 7 -2.776 4.484 -1.167
80 HZ2 TRP 7 HZ2 TRP 7 -0.585 6.897 2.600
81 HZ3 TRP 7 HZ3 TRP 7 -2.431 6.916 -1.249
82 HH2 TRP 7 HH2 TRP 7 -1.354 8.095 0.600
83 H ARG 8 HN ARG 8 -1.716 -0.865 1.223
84 HA ARG 8 HA ARG 8 0.783 -0.432 2.501
85 HB2 ARG 8 HB2 ARG 8 0.294 -2.379 3.850
86 HB3 ARG 8 HB3 ARG 8 -1.129 -1.360 3.723
87 HG2 ARG 8 HG2 ARG 8 -2.154 -2.878 2.183
88 HG3 ARG 8 HG3 ARG 8 -0.675 -3.840 2.077
89 HD2 ARG 8 HD2 ARG 8 -0.865 -4.352 4.476
90 HD3 ARG 8 HD3 ARG 8 -2.366 -3.431 4.545
91 HE ARG 8 HE ARG 8 -3.346 -5.110 3.081
92 HH11 ARG 8 HH11 ARG 8 -0.315 -5.898 4.606
93 HH12 ARG 8 HH12 ARG 8 -0.573 -7.613 4.570
94 HH21 ARG 8 HH21 ARG 8 -3.717 -7.395 3.024
95 HH22 ARG 8 HH22 ARG 8 -2.513 -8.459 3.672
96 H ARG 9 HN ARG 9 -0.280 -2.543 -0.083
97 HA ARG 9 HA ARG 9 1.931 -4.251 -0.288
98 HB2 ARG 9 HB2 ARG 9 0.033 -3.092 -2.289
99 HB3 ARG 9 HB3 ARG 9 1.386 -4.067 -2.829
100 HG2 ARG 9 HG2 ARG 9 0.555 -5.943 -1.512
101 HG3 ARG 9 HG3 ARG 9 -0.806 -4.954 -0.967
102 HD2 ARG 9 HD2 ARG 9 -1.695 -4.803 -3.150
103 HD3 ARG 9 HD3 ARG 9 -0.212 -5.413 -3.876
104 HE ARG 9 HE ARG 9 -1.446 -7.308 -2.110
105 HH11 ARG 9 HH11 ARG 9 -1.516 -5.979 -5.361
106 HH12 ARG 9 HH12 ARG 9 -2.107 -7.456 -6.081
107 HH21 ARG 9 HH21 ARG 9 -2.230 -9.236 -3.073
108 HH22 ARG 9 HH22 ARG 9 -2.527 -9.279 -4.785
109 H TRP 10 HN TRP 10 1.320 -1.149 -1.881
110 HA TRP 10 HA TRP 10 3.787 -0.803 -3.118
111 HB2 TRP 10 HB2 TRP 10 2.256 0.733 -3.860
112 HB3 TRP 10 HB3 TRP 10 1.560 0.971 -2.260
113 HD1 TRP 10 HD1 TRP 10 2.418 2.982 -0.857
114 HE1 TRP 10 HE1 TRP 10 4.075 4.892 -1.287
115 HE3 TRP 10 HE3 TRP 10 4.545 1.246 -5.151
116 HZ2 TRP 10 HZ2 TRP 10 6.039 5.572 -3.186
117 HZ3 TRP 10 HZ3 TRP 10 6.303 2.588 -6.223
118 HH2 TRP 10 HH2 TRP 10 7.031 4.709 -5.260
119 H TRP 11 HN TRP 11 2.708 0.229 0.088
120 HA TRP 11 HA TRP 11 4.967 1.679 0.854
121 HB2 TRP 11 HB2 TRP 11 2.599 1.280 1.984
122 HB3 TRP 11 HB3 TRP 11 3.481 0.032 2.855
123 HD1 TRP 11 HD1 TRP 11 2.552 3.531 3.174
124 HE1 TRP 11 HE1 TRP 11 4.032 4.741 4.907
125 HE3 TRP 11 HE3 TRP 11 6.268 0.074 3.612
126 HZ2 TRP 11 HZ2 TRP 11 6.462 4.265 6.287
127 HZ3 TRP 11 HZ3 TRP 11 8.134 0.512 5.160
128 HH2 TRP 11 HH2 TRP 11 8.233 2.563 6.458
129 H ARG 12 HN ARG 12 4.144 -1.699 1.583
130 HA ARG 12 HA ARG 12 6.508 -2.283 2.984
131 HB2 ARG 12 HB2 ARG 12 4.289 -3.529 2.988
132 HB3 ARG 12 HB3 ARG 12 4.813 -4.278 1.487
133 HG2 ARG 12 HG2 ARG 12 5.198 -5.698 3.442
134 HG3 ARG 12 HG3 ARG 12 6.696 -5.290 2.606
135 HD2 ARG 12 HD2 ARG 12 6.903 -5.154 5.060
136 HD3 ARG 12 HD3 ARG 12 7.215 -3.613 4.261
137 HE ARG 12 HE ARG 12 4.517 -4.080 5.297
138 HH11 ARG 12 HH11 ARG 12 7.602 -2.452 5.562
139 HH12 ARG 12 HH12 ARG 12 7.053 -1.355 6.795
140 HH21 ARG 12 HH21 ARG 12 3.787 -2.608 6.895
141 HH22 ARG 12 HH22 ARG 12 4.897 -1.436 7.544
142 H ARG 13 HN ARG 13 5.707 -2.429 -0.419
143 HA ARG 13 HA ARG 13 8.028 -3.884 -1.216
144 HB2 ARG 13 HB2 ARG 13 5.880 -2.387 -2.624
145 HB3 ARG 13 HB3 ARG 13 7.376 -2.702 -3.485
146 HG2 ARG 13 HG2 ARG 13 5.612 -4.789 -2.229
147 HG3 ARG 13 HG3 ARG 13 5.688 -4.397 -3.949
148 HD2 ARG 13 HD2 ARG 13 7.885 -5.552 -2.233
149 HD3 ARG 13 HD3 ARG 13 7.036 -6.345 -3.559
150 HE ARG 13 HE ARG 13 8.104 -4.255 -4.819
151 HH11 ARG 13 HH11 ARG 13 9.505 -6.541 -2.572
152 HH12 ARG 13 HH12 ARG 13 11.120 -6.357 -3.197
153 HH21 ARG 13 HH21 ARG 13 10.232 -4.043 -5.676
154 HH22 ARG 13 HH22 ARG 13 11.527 -4.953 -4.963
155 H TRP 14 HN TRP 14 7.165 -0.450 -1.679
156 HA TRP 14 HA TRP 14 9.748 0.067 -2.792
157 HB2 TRP 14 HB2 TRP 14 7.567 1.174 -3.471
158 HB3 TRP 14 HB3 TRP 14 7.722 2.147 -2.010
159 HD1 TRP 14 HD1 TRP 14 9.248 1.679 -5.476
160 HE1 TRP 14 HE1 TRP 14 10.787 3.674 -5.992
161 HE3 TRP 14 HE3 TRP 14 9.208 3.953 -0.885
162 HZ2 TRP 14 HZ2 TRP 14 11.823 5.921 -4.645
163 HZ3 TRP 14 HZ3 TRP 14 10.493 6.032 -0.602
164 HH2 TRP 14 HH2 TRP 14 11.770 6.989 -2.436
165 H ARG 15 HN ARG 15 8.125 1.220 0.173
166 HA ARG 15 HA ARG 15 10.368 2.850 0.857
167 HB2 ARG 15 HB2 ARG 15 7.792 2.175 2.230
168 HB3 ARG 15 HB3 ARG 15 9.051 3.067 3.074
169 HG2 ARG 15 HG2 ARG 15 7.612 4.701 2.232
170 HG3 ARG 15 HG3 ARG 15 8.975 4.694 1.119
171 HD2 ARG 15 HD2 ARG 15 7.646 3.193 -0.373
172 HD3 ARG 15 HD3 ARG 15 6.274 3.425 0.709
173 HE ARG 15 HE ARG 15 7.266 5.276 -1.253
174 HH11 ARG 15 HH11 ARG 15 5.464 4.967 1.737
175 HH12 ARG 15 HH12 ARG 15 4.676 6.510 1.577
176 HH21 ARG 15 HH21 ARG 15 6.236 7.290 -1.477
177 HH22 ARG 15 HH22 ARG 15 5.115 7.825 -0.254
178 H ARG 16 HN ARG 16 8.841 0.264 2.774
179 HA ARG 16 HA ARG 16 10.674 -1.654 2.769
180 HB2 ARG 16 HB2 ARG 16 12.348 0.034 3.599
181 HB3 ARG 16 HB3 ARG 16 11.432 0.090 5.106
182 HG2 ARG 16 HG2 ARG 16 13.333 -1.449 5.235
183 HG3 ARG 16 HG3 ARG 16 11.780 -2.265 5.443
184 HD2 ARG 16 HD2 ARG 16 11.902 -2.674 2.909
185 HD3 ARG 16 HD3 ARG 16 13.614 -2.287 3.075
186 HE ARG 16 HE ARG 16 13.924 -4.265 4.282
187 HH11 ARG 16 HH11 ARG 16 10.526 -3.796 3.492
188 HH12 ARG 16 HH12 ARG 16 10.116 -5.470 3.723
189 HH21 ARG 16 HH21 ARG 16 13.377 -6.464 4.575
190 HH22 ARG 16 HH22 ARG 16 11.730 -6.979 4.337
Start of MODEL 2
1 H ARG 1 HN ARG 1 -12.059 1.256 3.560
2 HA ARG 1 HA ARG 1 -11.354 2.632 1.098
3 HB2 ARG 1 HB2 ARG 1 -9.684 2.006 3.543
4 HB3 ARG 1 HB3 ARG 1 -9.200 3.051 2.218
5 HG2 ARG 1 HG2 ARG 1 -10.894 4.655 2.786
6 HG3 ARG 1 HG3 ARG 1 -11.560 3.568 4.009
7 HD2 ARG 1 HD2 ARG 1 -9.482 3.703 5.277
8 HD3 ARG 1 HD3 ARG 1 -8.781 4.755 4.047
9 HE ARG 1 HE ARG 1 -11.211 5.811 5.108
10 HH11 ARG 1 HH11 ARG 1 -7.813 5.403 5.834
11 HH12 ARG 1 HH12 ARG 1 -7.724 6.853 6.793
12 HH21 ARG 1 HH21 ARG 1 -11.101 7.678 6.409
13 HH22 ARG 1 HH22 ARG 1 -9.589 8.122 7.143
14 H ARG 2 HN ARG 2 -11.666 0.703 -0.243
15 HA ARG 2 HA ARG 2 -10.122 -1.624 0.149
16 HB2 ARG 2 HB2 ARG 2 -10.698 -2.060 -2.322
17 HB3 ARG 2 HB3 ARG 2 -11.987 -2.034 -1.137
18 HG2 ARG 2 HG2 ARG 2 -12.787 -0.894 -3.022
19 HG3 ARG 2 HG3 ARG 2 -12.421 0.342 -1.820
20 HD2 ARG 2 HD2 ARG 2 -10.439 0.977 -2.951
21 HD3 ARG 2 HD3 ARG 2 -10.508 -0.436 -4.008
22 HE ARG 2 HE ARG 2 -12.789 0.736 -4.667
23 HH11 ARG 2 HH11 ARG 2 -9.621 2.155 -4.202
24 HH12 ARG 2 HH12 ARG 2 -9.900 3.469 -5.295
25 HH21 ARG 2 HH21 ARG 2 -13.162 2.445 -6.112
26 HH22 ARG 2 HH22 ARG 2 -11.934 3.637 -6.388
27 H TRP 3 HN TRP 3 -9.406 1.364 -1.436
28 HA TRP 3 HA TRP 3 -7.267 0.522 -3.038
29 HB2 TRP 3 HB2 TRP 3 -6.487 2.943 -2.809
30 HB3 TRP 3 HB3 TRP 3 -8.087 2.677 -3.492
31 HD1 TRP 3 HD1 TRP 3 -10.202 3.346 -1.944
32 HE1 TRP 3 HE1 TRP 3 -10.417 5.026 -0.009
33 HE3 TRP 3 HE3 TRP 3 -5.233 3.959 -0.868
34 HZ2 TRP 3 HZ2 TRP 3 -8.700 6.429 1.739
35 HZ3 TRP 3 HZ3 TRP 3 -4.607 5.501 0.951
36 HH2 TRP 3 HH2 TRP 3 -6.307 6.709 2.224
37 H ARG 4 HN ARG 4 -7.495 1.153 0.372
38 HA ARG 4 HA ARG 4 -4.806 1.447 1.027
39 HB2 ARG 4 HB2 ARG 4 -7.111 0.287 2.574
40 HB3 ARG 4 HB3 ARG 4 -5.506 0.487 3.269
41 HG2 ARG 4 HG2 ARG 4 -7.008 2.768 2.028
42 HG3 ARG 4 HG3 ARG 4 -7.201 2.322 3.724
43 HD2 ARG 4 HD2 ARG 4 -4.507 2.902 2.498
44 HD3 ARG 4 HD3 ARG 4 -5.516 4.165 3.200
45 HE ARG 4 HE ARG 4 -5.008 1.888 4.924
46 HH11 ARG 4 HH11 ARG 4 -3.919 5.080 3.924
47 HH12 ARG 4 HH12 ARG 4 -3.093 5.400 5.416
48 HH21 ARG 4 HH21 ARG 4 -3.950 2.337 6.896
49 HH22 ARG 4 HH22 ARG 4 -3.117 3.851 7.106
50 H ARG 5 HN ARG 5 -6.604 -1.409 0.193
51 HA ARG 5 HA ARG 5 -4.908 -3.419 1.100
52 HB2 ARG 5 HB2 ARG 5 -7.044 -3.939 0.078
53 HB3 ARG 5 HB3 ARG 5 -6.519 -3.265 -1.459
54 HG2 ARG 5 HG2 ARG 5 -4.769 -5.047 -1.542
55 HG3 ARG 5 HG3 ARG 5 -5.517 -5.768 -0.119
56 HD2 ARG 5 HD2 ARG 5 -6.923 -5.254 -2.735
57 HD3 ARG 5 HD3 ARG 5 -6.233 -6.802 -2.258
58 HE ARG 5 HE ARG 5 -7.998 -6.001 -0.254
59 HH11 ARG 5 HH11 ARG 5 -8.137 -6.922 -3.642
60 HH12 ARG 5 HH12 ARG 5 -9.729 -7.606 -3.516
61 HH21 ARG 5 HH21 ARG 5 -10.065 -6.906 -0.089
62 HH22 ARG 5 HH22 ARG 5 -10.834 -7.602 -1.491
63 H TRP 6 HN TRP 6 -4.833 -1.733 -2.031
64 HA TRP 6 HA TRP 6 -2.366 -2.932 -2.846
65 HB2 TRP 6 HB2 TRP 6 -3.586 -0.411 -3.978
66 HB3 TRP 6 HB3 TRP 6 -2.548 -1.577 -4.794
67 HD1 TRP 6 HD1 TRP 6 -3.930 -4.263 -4.512
68 HE1 TRP 6 HE1 TRP 6 -6.297 -4.718 -5.396
69 HE3 TRP 6 HE3 TRP 6 -5.637 0.553 -4.735
70 HZ2 TRP 6 HZ2 TRP 6 -8.589 -3.228 -6.114
71 HZ3 TRP 6 HZ3 TRP 6 -7.935 0.953 -5.532
72 HH2 TRP 6 HH2 TRP 6 -9.375 -0.900 -6.206
73 H TRP 7 HN TRP 7 -3.335 -0.006 -1.245
74 HA TRP 7 HA TRP 7 -1.102 1.591 -1.326
75 HB2 TRP 7 HB2 TRP 7 -3.245 2.186 -0.286
76 HB3 TRP 7 HB3 TRP 7 -2.945 1.047 1.014
77 HD1 TRP 7 HD1 TRP 7 -1.124 1.771 2.870
78 HE1 TRP 7 HE1 TRP 7 -0.308 4.103 3.598
79 HE3 TRP 7 HE3 TRP 7 -2.669 4.470 -1.194
80 HZ2 TRP 7 HZ2 TRP 7 -0.318 6.732 2.572
81 HZ3 TRP 7 HZ3 TRP 7 -2.225 6.889 -1.237
82 HH2 TRP 7 HH2 TRP 7 -1.074 7.995 0.606
83 H ARG 8 HN ARG 8 -1.757 -1.059 0.955
84 HA ARG 8 HA ARG 8 0.637 -0.863 2.425
85 HB2 ARG 8 HB2 ARG 8 -0.950 -3.380 1.899
86 HB3 ARG 8 HB3 ARG 8 0.150 -3.091 3.238
87 HG2 ARG 8 HG2 ARG 8 -1.347 -1.392 4.118
88 HG3 ARG 8 HG3 ARG 8 -2.449 -1.652 2.762
89 HD2 ARG 8 HD2 ARG 8 -1.697 -3.607 4.926
90 HD3 ARG 8 HD3 ARG 8 -3.277 -2.875 4.646
91 HE ARG 8 HE ARG 8 -2.220 -4.471 2.459
92 HH11 ARG 8 HH11 ARG 8 -4.256 -4.415 5.306
93 HH12 ARG 8 HH12 ARG 8 -5.150 -5.834 4.846
94 HH21 ARG 8 HH21 ARG 8 -3.355 -6.345 1.870
95 HH22 ARG 8 HH22 ARG 8 -4.625 -6.941 2.903
96 H ARG 9 HN ARG 9 -0.172 -2.516 -0.545
97 HA ARG 9 HA ARG 9 2.070 -4.235 -0.660
98 HB2 ARG 9 HB2 ARG 9 -0.081 -4.499 -1.929
99 HB3 ARG 9 HB3 ARG 9 0.429 -3.171 -2.961
100 HG2 ARG 9 HG2 ARG 9 2.274 -4.446 -3.795
101 HG3 ARG 9 HG3 ARG 9 1.963 -5.741 -2.633
102 HD2 ARG 9 HD2 ARG 9 -0.244 -6.100 -3.674
103 HD3 ARG 9 HD3 ARG 9 0.130 -4.851 -4.857
104 HE ARG 9 HE ARG 9 1.935 -6.321 -5.653
105 HH11 ARG 9 HH11 ARG 9 -0.583 -7.715 -3.689
106 HH12 ARG 9 HH12 ARG 9 -0.466 -9.293 -4.402
107 HH21 ARG 9 HH21 ARG 9 2.118 -8.411 -6.617
108 HH22 ARG 9 HH22 ARG 9 1.066 -9.688 -6.073
109 H TRP 10 HN TRP 10 1.434 -1.004 -1.881
110 HA TRP 10 HA TRP 10 3.964 -0.676 -3.147
111 HB2 TRP 10 HB2 TRP 10 2.564 0.900 -3.994
112 HB3 TRP 10 HB3 TRP 10 1.616 0.997 -2.516
113 HD1 TRP 10 HD1 TRP 10 2.123 2.927 -0.874
114 HE1 TRP 10 HE1 TRP 10 3.711 4.941 -0.904
115 HE3 TRP 10 HE3 TRP 10 5.000 1.634 -4.894
116 HZ2 TRP 10 HZ2 TRP 10 5.910 5.860 -2.404
117 HZ3 TRP 10 HZ3 TRP 10 6.827 3.143 -5.562
118 HH2 TRP 10 HH2 TRP 10 7.265 5.213 -4.348
119 H TRP 11 HN TRP 11 2.678 0.043 0.044
120 HA TRP 11 HA TRP 11 4.755 1.659 0.988
121 HB2 TRP 11 HB2 TRP 11 2.354 0.946 1.939
122 HB3 TRP 11 HB3 TRP 11 3.352 -0.145 2.896
123 HD1 TRP 11 HD1 TRP 11 1.929 3.199 3.037
124 HE1 TRP 11 HE1 TRP 11 3.090 4.645 4.826
125 HE3 TRP 11 HE3 TRP 11 6.038 0.305 3.842
126 HZ2 TRP 11 HZ2 TRP 11 5.459 4.560 6.366
127 HZ3 TRP 11 HZ3 TRP 11 7.708 1.043 5.492
128 HH2 TRP 11 HH2 TRP 11 7.426 3.127 6.722
129 H ARG 12 HN ARG 12 4.228 -1.812 1.668
130 HA ARG 12 HA ARG 12 6.612 -2.029 3.163
131 HB2 ARG 12 HB2 ARG 12 4.664 -3.991 2.049
132 HB3 ARG 12 HB3 ARG 12 6.186 -4.566 2.713
133 HG2 ARG 12 HG2 ARG 12 4.140 -2.910 4.171
134 HG3 ARG 12 HG3 ARG 12 4.403 -4.646 4.369
135 HD2 ARG 12 HD2 ARG 12 6.740 -4.148 5.061
136 HD3 ARG 12 HD3 ARG 12 6.353 -2.431 4.994
137 HE ARG 12 HE ARG 12 4.780 -4.190 6.743
138 HH11 ARG 12 HH11 ARG 12 7.126 -1.589 6.352
139 HH12 ARG 12 HH12 ARG 12 6.993 -1.066 8.006
140 HH21 ARG 12 HH21 ARG 12 4.686 -3.528 8.939
141 HH22 ARG 12 HH22 ARG 12 5.625 -2.165 9.466
142 H ARG 13 HN ARG 13 5.933 -2.547 -0.232
143 HA ARG 13 HA ARG 13 8.351 -3.966 -0.711
144 HB2 ARG 13 HB2 ARG 13 6.288 -2.733 -2.490
145 HB3 ARG 13 HB3 ARG 13 7.778 -3.396 -3.153
146 HG2 ARG 13 HG2 ARG 13 7.264 -5.569 -2.324
147 HG3 ARG 13 HG3 ARG 13 5.895 -4.951 -1.398
148 HD2 ARG 13 HD2 ARG 13 5.172 -6.068 -3.442
149 HD3 ARG 13 HD3 ARG 13 4.746 -4.359 -3.444
150 HE ARG 13 HE ARG 13 7.144 -5.316 -4.875
151 HH11 ARG 13 HH11 ARG 13 4.046 -3.704 -4.834
152 HH12 ARG 13 HH12 ARG 13 4.143 -3.162 -6.481
153 HH21 ARG 13 HH21 ARG 13 7.292 -4.636 -7.045
154 HH22 ARG 13 HH22 ARG 13 6.008 -3.708 -7.748
155 H TRP 14 HN TRP 14 7.379 -0.640 -1.657
156 HA TRP 14 HA TRP 14 9.992 -0.147 -2.709
157 HB2 TRP 14 HB2 TRP 14 7.895 0.861 -3.624
158 HB3 TRP 14 HB3 TRP 14 7.825 1.883 -2.196
159 HD1 TRP 14 HD1 TRP 14 9.847 1.342 -5.385
160 HE1 TRP 14 HE1 TRP 14 11.230 3.458 -5.871
161 HE3 TRP 14 HE3 TRP 14 8.899 3.912 -1.071
162 HZ2 TRP 14 HZ2 TRP 14 11.839 5.895 -4.577
163 HZ3 TRP 14 HZ3 TRP 14 9.923 6.130 -0.773
164 HH2 TRP 14 HH2 TRP 14 11.361 7.100 -2.492
165 H ARG 15 HN ARG 15 8.231 1.529 -0.077
166 HA ARG 15 HA ARG 15 10.663 2.821 0.701
167 HB2 ARG 15 HB2 ARG 15 9.193 3.703 2.626
168 HB3 ARG 15 HB3 ARG 15 8.907 4.272 0.994
169 HG2 ARG 15 HG2 ARG 15 7.342 1.943 1.925
170 HG3 ARG 15 HG3 ARG 15 6.966 3.513 2.630
171 HD2 ARG 15 HD2 ARG 15 6.980 2.833 -0.310
172 HD3 ARG 15 HD3 ARG 15 5.558 3.063 0.701
173 HE ARG 15 HE ARG 15 7.083 5.096 -0.574
174 HH11 ARG 15 HH11 ARG 15 5.261 4.442 2.355
175 HH12 ARG 15 HH12 ARG 15 4.896 6.116 2.651
176 HH21 ARG 15 HH21 ARG 15 6.592 7.283 -0.192
177 HH22 ARG 15 HH22 ARG 15 5.662 7.730 1.216
178 H ARG 16 HN ARG 16 8.683 0.220 2.001
179 HA ARG 16 HA ARG 16 9.219 -1.521 3.341
180 HB2 ARG 16 HB2 ARG 16 12.001 -0.364 3.305
181 HB3 ARG 16 HB3 ARG 16 11.573 -1.941 3.946
182 HG2 ARG 16 HG2 ARG 16 10.894 -2.691 1.751
183 HG3 ARG 16 HG3 ARG 16 11.210 -1.087 1.087
184 HD2 ARG 16 HD2 ARG 16 13.583 -1.331 1.789
185 HD3 ARG 16 HD3 ARG 16 13.222 -2.993 2.264
186 HE ARG 16 HE ARG 16 12.398 -2.658 -0.378
187 HH11 ARG 16 HH11 ARG 16 15.357 -2.651 1.477
188 HH12 ARG 16 HH12 ARG 16 16.354 -3.190 0.156
189 HH21 ARG 16 HH21 ARG 16 13.698 -3.391 -2.129
190 HH22 ARG 16 HH22 ARG 16 15.405 -3.623 -1.894
Start of MODEL 3
1 H ARG 1 HN ARG 1 -12.228 0.328 3.151
2 HA ARG 1 HA ARG 1 -11.411 2.040 0.969
3 HB2 ARG 1 HB2 ARG 1 -9.787 0.968 3.287
4 HB3 ARG 1 HB3 ARG 1 -9.311 2.259 2.194
5 HG2 ARG 1 HG2 ARG 1 -11.070 3.680 3.033
6 HG3 ARG 1 HG3 ARG 1 -11.683 2.368 4.045
7 HD2 ARG 1 HD2 ARG 1 -8.997 3.719 4.274
8 HD3 ARG 1 HD3 ARG 1 -10.358 3.891 5.383
9 HE ARG 1 HE ARG 1 -9.940 1.250 5.462
10 HH11 ARG 1 HH11 ARG 1 -7.715 3.949 5.733
11 HH12 ARG 1 HH12 ARG 1 -6.588 3.087 6.743
12 HH21 ARG 1 HH21 ARG 1 -8.431 0.092 6.747
13 HH22 ARG 1 HH22 ARG 1 -6.991 0.891 7.299
14 H ARG 2 HN ARG 2 -11.394 0.754 -0.854
15 HA ARG 2 HA ARG 2 -10.063 -1.757 -0.934
16 HB2 ARG 2 HB2 ARG 2 -10.302 -1.241 -3.535
17 HB3 ARG 2 HB3 ARG 2 -11.647 -1.790 -2.555
18 HG2 ARG 2 HG2 ARG 2 -12.443 -0.025 -3.905
19 HG3 ARG 2 HG3 ARG 2 -12.303 0.613 -2.270
20 HD2 ARG 2 HD2 ARG 2 -10.092 1.577 -2.919
21 HD3 ARG 2 HD3 ARG 2 -10.417 1.073 -4.578
22 HE ARG 2 HE ARG 2 -12.573 2.613 -3.604
23 HH11 ARG 2 HH11 ARG 2 -9.302 2.936 -4.806
24 HH12 ARG 2 HH12 ARG 2 -9.478 4.617 -5.213
25 HH21 ARG 2 HH21 ARG 2 -12.824 4.794 -4.156
26 HH22 ARG 2 HH22 ARG 2 -11.480 5.690 -4.809
27 H TRP 3 HN TRP 3 -9.069 1.502 -1.576
28 HA TRP 3 HA TRP 3 -6.818 0.775 -3.169
29 HB2 TRP 3 HB2 TRP 3 -6.140 3.147 -2.943
30 HB3 TRP 3 HB3 TRP 3 -7.806 2.954 -3.474
31 HD1 TRP 3 HD1 TRP 3 -9.732 3.537 -1.617
32 HE1 TRP 3 HE1 TRP 3 -9.691 5.208 0.350
33 HE3 TRP 3 HE3 TRP 3 -4.678 4.184 -1.237
34 HZ2 TRP 3 HZ2 TRP 3 -7.745 6.605 1.855
35 HZ3 TRP 3 HZ3 TRP 3 -3.808 5.704 0.490
36 HH2 TRP 3 HH2 TRP 3 -5.312 6.890 2.000
37 H ARG 4 HN ARG 4 -7.310 1.207 0.251
38 HA ARG 4 HA ARG 4 -4.637 1.571 1.012
39 HB2 ARG 4 HB2 ARG 4 -7.033 0.539 2.467
40 HB3 ARG 4 HB3 ARG 4 -5.449 0.583 3.227
41 HG2 ARG 4 HG2 ARG 4 -6.809 2.979 2.026
42 HG3 ARG 4 HG3 ARG 4 -6.887 2.545 3.734
43 HD2 ARG 4 HD2 ARG 4 -4.343 3.112 2.201
44 HD3 ARG 4 HD3 ARG 4 -5.176 4.269 3.240
45 HE ARG 4 HE ARG 4 -4.476 1.780 4.530
46 HH11 ARG 4 HH11 ARG 4 -3.495 5.045 3.771
47 HH12 ARG 4 HH12 ARG 4 -2.339 5.145 5.063
48 HH21 ARG 4 HH21 ARG 4 -2.946 1.884 6.233
49 HH22 ARG 4 HH22 ARG 4 -1.990 3.324 6.454
50 H ARG 5 HN ARG 5 -6.399 -1.300 0.138
51 HA ARG 5 HA ARG 5 -4.645 -3.245 1.130
52 HB2 ARG 5 HB2 ARG 5 -6.747 -3.929 0.190
53 HB3 ARG 5 HB3 ARG 5 -6.332 -3.236 -1.374
54 HG2 ARG 5 HG2 ARG 5 -4.609 -4.892 -1.702
55 HG3 ARG 5 HG3 ARG 5 -4.888 -5.545 -0.086
56 HD2 ARG 5 HD2 ARG 5 -6.988 -5.456 -2.240
57 HD3 ARG 5 HD3 ARG 5 -5.936 -6.839 -1.955
58 HE ARG 5 HE ARG 5 -7.207 -6.115 0.453
59 HH11 ARG 5 HH11 ARG 5 -7.813 -7.633 -2.634
60 HH12 ARG 5 HH12 ARG 5 -9.143 -8.597 -2.058
61 HH21 ARG 5 HH21 ARG 5 -8.966 -7.363 1.236
62 HH22 ARG 5 HH22 ARG 5 -9.820 -8.421 0.156
63 H TRP 6 HN TRP 6 -4.664 -1.663 -2.063
64 HA TRP 6 HA TRP 6 -2.230 -2.844 -2.928
65 HB2 TRP 6 HB2 TRP 6 -3.425 -0.255 -3.931
66 HB3 TRP 6 HB3 TRP 6 -2.345 -1.338 -4.804
67 HD1 TRP 6 HD1 TRP 6 -3.669 -4.057 -4.752
68 HE1 TRP 6 HE1 TRP 6 -6.006 -4.484 -5.717
69 HE3 TRP 6 HE3 TRP 6 -5.491 0.722 -4.645
70 HZ2 TRP 6 HZ2 TRP 6 -8.325 -3.006 -6.356
71 HZ3 TRP 6 HZ3 TRP 6 -7.776 1.126 -5.450
72 HH2 TRP 6 HH2 TRP 6 -9.165 -0.701 -6.289
73 H TRP 7 HN TRP 7 -3.106 0.093 -1.281
74 HA TRP 7 HA TRP 7 -0.738 1.517 -1.267
75 HB2 TRP 7 HB2 TRP 7 -2.886 2.322 -0.386
76 HB3 TRP 7 HB3 TRP 7 -2.772 1.180 0.945
77 HD1 TRP 7 HD1 TRP 7 -1.029 1.777 2.918
78 HE1 TRP 7 HE1 TRP 7 -0.038 4.035 3.656
79 HE3 TRP 7 HE3 TRP 7 -2.005 4.509 -1.283
80 HZ2 TRP 7 HZ2 TRP 7 0.281 6.616 2.601
81 HZ3 TRP 7 HZ3 TRP 7 -1.313 6.867 -1.341
82 HH2 TRP 7 HH2 TRP 7 -0.192 7.894 0.563
83 H ARG 8 HN ARG 8 -1.793 -1.062 0.957
84 HA ARG 8 HA ARG 8 0.530 -1.074 2.559
85 HB2 ARG 8 HB2 ARG 8 -1.491 -3.227 1.944
86 HB3 ARG 8 HB3 ARG 8 -0.192 -3.439 3.107
87 HG2 ARG 8 HG2 ARG 8 -2.086 -1.142 3.363
88 HG3 ARG 8 HG3 ARG 8 -2.548 -2.750 3.917
89 HD2 ARG 8 HD2 ARG 8 -1.654 -1.526 5.774
90 HD3 ARG 8 HD3 ARG 8 -0.515 -2.795 5.333
91 HE ARG 8 HE ARG 8 0.281 -0.501 3.997
92 HH11 ARG 8 HH11 ARG 8 -0.098 -1.582 7.310
93 HH12 ARG 8 HH12 ARG 8 1.135 -0.519 7.932
94 HH21 ARG 8 HH21 ARG 8 1.934 0.860 4.807
95 HH22 ARG 8 HH22 ARG 8 2.325 0.831 6.499
96 H ARG 9 HN ARG 9 -0.342 -2.838 -0.361
97 HA ARG 9 HA ARG 9 1.884 -4.536 -0.513
98 HB2 ARG 9 HB2 ARG 9 -0.141 -4.836 -1.865
99 HB3 ARG 9 HB3 ARG 9 0.211 -3.354 -2.737
100 HG2 ARG 9 HG2 ARG 9 0.817 -5.204 -4.108
101 HG3 ARG 9 HG3 ARG 9 2.296 -4.405 -3.576
102 HD2 ARG 9 HD2 ARG 9 1.168 -6.770 -2.108
103 HD3 ARG 9 HD3 ARG 9 2.204 -6.974 -3.518
104 HE ARG 9 HE ARG 9 3.452 -5.247 -1.665
105 HH11 ARG 9 HH11 ARG 9 2.535 -8.608 -2.032
106 HH12 ARG 9 HH12 ARG 9 3.884 -9.210 -1.113
107 HH21 ARG 9 HH21 ARG 9 5.223 -6.041 -0.420
108 HH22 ARG 9 HH22 ARG 9 5.414 -7.751 -0.202
109 H TRP 10 HN TRP 10 1.301 -1.357 -1.961
110 HA TRP 10 HA TRP 10 3.835 -1.024 -3.142
111 HB2 TRP 10 HB2 TRP 10 2.481 0.565 -4.018
112 HB3 TRP 10 HB3 TRP 10 1.460 0.609 -2.586
113 HD1 TRP 10 HD1 TRP 10 2.000 2.429 -0.739
114 HE1 TRP 10 HE1 TRP 10 3.464 4.534 -0.740
115 HE3 TRP 10 HE3 TRP 10 4.658 1.581 -5.028
116 HZ2 TRP 10 HZ2 TRP 10 5.474 5.697 -2.326
117 HZ3 TRP 10 HZ3 TRP 10 6.325 3.253 -5.721
118 HH2 TRP 10 HH2 TRP 10 6.719 5.271 -4.405
119 H TRP 11 HN TRP 11 2.568 -0.191 0.026
120 HA TRP 11 HA TRP 11 4.565 1.519 0.918
121 HB2 TRP 11 HB2 TRP 11 2.243 0.721 1.932
122 HB3 TRP 11 HB3 TRP 11 3.294 -0.345 2.859
123 HD1 TRP 11 HD1 TRP 11 1.819 2.999 3.017
124 HE1 TRP 11 HE1 TRP 11 2.997 4.440 4.798
125 HE3 TRP 11 HE3 TRP 11 5.940 0.119 3.769
126 HZ2 TRP 11 HZ2 TRP 11 5.383 4.359 6.316
127 HZ3 TRP 11 HZ3 TRP 11 7.626 0.854 5.405
128 HH2 TRP 11 HH2 TRP 11 7.356 2.924 6.643
129 H ARG 12 HN ARG 12 4.261 -1.931 1.762
130 HA ARG 12 HA ARG 12 6.761 -1.967 3.074
131 HB2 ARG 12 HB2 ARG 12 4.905 -4.138 2.162
132 HB3 ARG 12 HB3 ARG 12 6.455 -4.513 2.900
133 HG2 ARG 12 HG2 ARG 12 4.201 -2.958 4.146
134 HG3 ARG 12 HG3 ARG 12 4.709 -4.600 4.552
135 HD2 ARG 12 HD2 ARG 12 6.929 -3.695 5.198
136 HD3 ARG 12 HD3 ARG 12 6.305 -2.068 4.916
137 HE ARG 12 HE ARG 12 4.791 -3.686 6.781
138 HH11 ARG 12 HH11 ARG 12 7.330 -1.295 6.371
139 HH12 ARG 12 HH12 ARG 12 7.231 -0.752 8.018
140 HH21 ARG 12 HH21 ARG 12 4.687 -2.969 8.934
141 HH22 ARG 12 HH22 ARG 12 5.733 -1.690 9.475
142 H ARG 13 HN ARG 13 5.885 -2.513 -0.265
143 HA ARG 13 HA ARG 13 8.331 -3.821 -0.934
144 HB2 ARG 13 HB2 ARG 13 5.988 -2.888 -2.389
145 HB3 ARG 13 HB3 ARG 13 7.482 -2.679 -3.282
146 HG2 ARG 13 HG2 ARG 13 7.987 -5.091 -2.820
147 HG3 ARG 13 HG3 ARG 13 6.354 -5.229 -2.169
148 HD2 ARG 13 HD2 ARG 13 6.377 -5.981 -4.466
149 HD3 ARG 13 HD3 ARG 13 5.449 -4.490 -4.342
150 HE ARG 13 HE ARG 13 7.817 -3.533 -5.063
151 HH11 ARG 13 HH11 ARG 13 6.108 -6.338 -6.293
152 HH12 ARG 13 HH12 ARG 13 6.729 -6.155 -7.905
153 HH21 ARG 13 HH21 ARG 13 8.651 -3.301 -7.152
154 HH22 ARG 13 HH22 ARG 13 8.207 -4.446 -8.390
155 H TRP 14 HN TRP 14 7.200 -0.492 -1.687
156 HA TRP 14 HA TRP 14 9.784 0.139 -2.754
157 HB2 TRP 14 HB2 TRP 14 7.663 1.061 -3.666
158 HB3 TRP 14 HB3 TRP 14 7.500 2.028 -2.206
159 HD1 TRP 14 HD1 TRP 14 9.653 1.716 -5.357
160 HE1 TRP 14 HE1 TRP 14 10.914 3.937 -5.715
161 HE3 TRP 14 HE3 TRP 14 8.336 4.092 -1.037
162 HZ2 TRP 14 HZ2 TRP 14 11.280 6.375 -4.341
163 HZ3 TRP 14 HZ3 TRP 14 9.168 6.373 -0.635
164 HH2 TRP 14 HH2 TRP 14 10.616 7.491 -2.261
165 H ARG 15 HN ARG 15 7.963 1.696 -0.109
166 HA ARG 15 HA ARG 15 10.354 2.989 0.783
167 HB2 ARG 15 HB2 ARG 15 8.841 3.812 2.679
168 HB3 ARG 15 HB3 ARG 15 8.523 4.388 1.058
169 HG2 ARG 15 HG2 ARG 15 7.044 2.011 2.010
170 HG3 ARG 15 HG3 ARG 15 6.616 3.585 2.678
171 HD2 ARG 15 HD2 ARG 15 6.710 2.921 -0.264
172 HD3 ARG 15 HD3 ARG 15 5.249 2.950 0.715
173 HE ARG 15 HE ARG 15 6.662 5.202 -0.384
174 HH11 ARG 15 HH11 ARG 15 4.537 4.181 2.221
175 HH12 ARG 15 HH12 ARG 15 3.819 5.753 2.421
176 HH21 ARG 15 HH21 ARG 15 5.703 7.263 -0.140
177 HH22 ARG 15 HH22 ARG 15 4.474 7.498 1.073
178 H ARG 16 HN ARG 16 8.417 0.289 1.799
179 HA ARG 16 HA ARG 16 8.988 -1.592 2.895
180 HB2 ARG 16 HB2 ARG 16 11.274 -1.009 1.764
181 HB3 ARG 16 HB3 ARG 16 11.770 -0.620 3.407
182 HG2 ARG 16 HG2 ARG 16 12.179 -2.759 3.762
183 HG3 ARG 16 HG3 ARG 16 10.467 -3.114 3.520
184 HD2 ARG 16 HD2 ARG 16 11.560 -4.480 1.966
185 HD3 ARG 16 HD3 ARG 16 11.001 -3.102 1.018
186 HE ARG 16 HE ARG 16 13.765 -3.176 2.042
187 HH11 ARG 16 HH11 ARG 16 11.532 -2.935 -0.660
188 HH12 ARG 16 HH12 ARG 16 12.793 -2.749 -1.833
189 HH21 ARG 16 HH21 ARG 16 15.397 -2.875 0.515
190 HH22 ARG 16 HH22 ARG 16 15.005 -2.711 -1.166
Start of MODEL 4
1 H ARG 1 HN ARG 1 -12.378 0.144 2.460
2 HA ARG 1 HA ARG 1 -9.935 1.679 2.102
3 HB2 ARG 1 HB2 ARG 1 -8.933 -0.054 3.575
4 HB3 ARG 1 HB3 ARG 1 -10.314 0.760 4.298
5 HG2 ARG 1 HG2 ARG 1 -11.731 -1.137 3.774
6 HG3 ARG 1 HG3 ARG 1 -10.368 -1.953 3.001
7 HD2 ARG 1 HD2 ARG 1 -9.170 -1.987 5.122
8 HD3 ARG 1 HD3 ARG 1 -10.500 -1.131 5.902
9 HE ARG 1 HE ARG 1 -11.678 -3.337 4.846
10 HH11 ARG 1 HH11 ARG 1 -9.002 -2.814 7.055
11 HH12 ARG 1 HH12 ARG 1 -9.216 -4.338 7.862
12 HH21 ARG 1 HH21 ARG 1 -11.966 -5.318 5.909
13 HH22 ARG 1 HH22 ARG 1 -10.876 -5.795 7.177
14 H ARG 2 HN ARG 2 -11.165 0.504 -0.241
15 HA ARG 2 HA ARG 2 -9.991 -1.916 -1.052
16 HB2 ARG 2 HB2 ARG 2 -10.672 0.380 -2.870
17 HB3 ARG 2 HB3 ARG 2 -10.602 -1.326 -3.286
18 HG2 ARG 2 HG2 ARG 2 -12.505 -1.624 -1.610
19 HG3 ARG 2 HG3 ARG 2 -12.664 0.136 -1.681
20 HD2 ARG 2 HD2 ARG 2 -12.886 -0.033 -4.138
21 HD3 ARG 2 HD3 ARG 2 -12.831 -1.787 -3.991
22 HE ARG 2 HE ARG 2 -14.999 -0.055 -2.985
23 HH11 ARG 2 HH11 ARG 2 -13.796 -3.198 -3.961
24 HH12 ARG 2 HH12 ARG 2 -15.363 -3.948 -3.939
25 HH21 ARG 2 HH21 ARG 2 -17.078 -1.045 -3.014
26 HH22 ARG 2 HH22 ARG 2 -17.209 -2.728 -3.430
27 H TRP 3 HN TRP 3 -9.043 1.413 -1.560
28 HA TRP 3 HA TRP 3 -6.790 0.871 -3.151
29 HB2 TRP 3 HB2 TRP 3 -6.167 3.245 -2.654
30 HB3 TRP 3 HB3 TRP 3 -7.803 3.033 -3.271
31 HD1 TRP 3 HD1 TRP 3 -9.808 3.155 -1.340
32 HE1 TRP 3 HE1 TRP 3 -9.938 4.649 0.751
33 HE3 TRP 3 HE3 TRP 3 -4.866 4.361 -0.906
34 HZ2 TRP 3 HZ2 TRP 3 -8.175 6.136 2.370
35 HZ3 TRP 3 HZ3 TRP 3 -4.169 5.828 0.947
36 HH2 TRP 3 HH2 TRP 3 -5.793 6.696 2.549
37 H ARG 4 HN ARG 4 -7.234 1.021 0.298
38 HA ARG 4 HA ARG 4 -4.554 1.339 1.048
39 HB2 ARG 4 HB2 ARG 4 -6.875 0.086 2.504
40 HB3 ARG 4 HB3 ARG 4 -5.286 0.291 3.228
41 HG2 ARG 4 HG2 ARG 4 -6.977 2.534 2.144
42 HG3 ARG 4 HG3 ARG 4 -6.879 2.067 3.842
43 HD2 ARG 4 HD2 ARG 4 -4.491 2.899 2.193
44 HD3 ARG 4 HD3 ARG 4 -5.429 4.013 3.184
45 HE ARG 4 HE ARG 4 -4.262 1.653 4.473
46 HH11 ARG 4 HH11 ARG 4 -4.184 5.122 3.923
47 HH12 ARG 4 HH12 ARG 4 -3.169 5.441 5.296
48 HH21 ARG 4 HH21 ARG 4 -2.960 2.093 6.305
49 HH22 ARG 4 HH22 ARG 4 -2.507 3.735 6.658
50 H ARG 5 HN ARG 5 -6.349 -1.456 0.030
51 HA ARG 5 HA ARG 5 -4.621 -3.499 0.823
52 HB2 ARG 5 HB2 ARG 5 -6.776 -3.992 -0.199
53 HB3 ARG 5 HB3 ARG 5 -6.253 -3.275 -1.717
54 HG2 ARG 5 HG2 ARG 5 -4.443 -5.026 -1.798
55 HG3 ARG 5 HG3 ARG 5 -5.250 -5.804 -0.435
56 HD2 ARG 5 HD2 ARG 5 -6.586 -5.186 -3.061
57 HD3 ARG 5 HD3 ARG 5 -5.840 -6.734 -2.676
58 HE ARG 5 HE ARG 5 -7.584 -6.366 -0.635
59 HH11 ARG 5 HH11 ARG 5 -7.912 -6.261 -4.117
60 HH12 ARG 5 HH12 ARG 5 -9.563 -6.801 -4.115
61 HH21 ARG 5 HH21 ARG 5 -9.724 -7.140 -0.619
62 HH22 ARG 5 HH22 ARG 5 -10.586 -7.338 -2.125
63 H TRP 6 HN TRP 6 -4.598 -1.586 -2.184
64 HA TRP 6 HA TRP 6 -2.142 -2.729 -3.107
65 HB2 TRP 6 HB2 TRP 6 -3.301 -0.080 -3.995
66 HB3 TRP 6 HB3 TRP 6 -2.242 -1.159 -4.900
67 HD1 TRP 6 HD1 TRP 6 -3.631 -3.841 -4.981
68 HE1 TRP 6 HE1 TRP 6 -5.962 -4.177 -5.994
69 HE3 TRP 6 HE3 TRP 6 -5.336 0.969 -4.712
70 HZ2 TRP 6 HZ2 TRP 6 -8.229 -2.624 -6.608
71 HZ3 TRP 6 HZ3 TRP 6 -7.602 1.459 -5.541
72 HH2 TRP 6 HH2 TRP 6 -9.017 -0.299 -6.470
73 H TRP 7 HN TRP 7 -3.111 0.127 -1.380
74 HA TRP 7 HA TRP 7 -0.826 1.658 -1.275
75 HB2 TRP 7 HB2 TRP 7 -2.982 2.356 -0.400
76 HB3 TRP 7 HB3 TRP 7 -2.904 1.124 0.848
77 HD1 TRP 7 HD1 TRP 7 -1.165 1.588 2.903
78 HE1 TRP 7 HE1 TRP 7 -0.285 3.802 3.875
79 HE3 TRP 7 HE3 TRP 7 -2.279 4.666 -1.008
80 HZ2 TRP 7 HZ2 TRP 7 -0.110 6.504 3.080
81 HZ3 TRP 7 HZ3 TRP 7 -1.730 7.058 -0.824
82 HH2 TRP 7 HH2 TRP 7 -0.666 7.954 1.179
83 H ARG 8 HN ARG 8 -1.755 -0.935 1.008
84 HA ARG 8 HA ARG 8 0.554 -0.666 2.609
85 HB2 ARG 8 HB2 ARG 8 -0.113 -2.850 3.585
86 HB3 ARG 8 HB3 ARG 8 -1.415 -1.671 3.539
87 HG2 ARG 8 HG2 ARG 8 -2.304 -2.772 1.520
88 HG3 ARG 8 HG3 ARG 8 -1.031 -3.988 1.656
89 HD2 ARG 8 HD2 ARG 8 -3.086 -3.403 3.781
90 HD3 ARG 8 HD3 ARG 8 -3.206 -4.713 2.605
91 HE ARG 8 HE ARG 8 -0.909 -5.357 3.646
92 HH11 ARG 8 HH11 ARG 8 -3.667 -4.041 5.355
93 HH12 ARG 8 HH12 ARG 8 -3.291 -4.844 6.844
94 HH21 ARG 8 HH21 ARG 8 -0.414 -6.415 5.585
95 HH22 ARG 8 HH22 ARG 8 -1.454 -6.232 6.964
96 H ARG 9 HN ARG 9 -0.151 -2.790 -0.144
97 HA ARG 9 HA ARG 9 2.225 -4.319 0.053
98 HB2 ARG 9 HB2 ARG 9 0.599 -3.664 -2.392
99 HB3 ARG 9 HB3 ARG 9 1.812 -4.931 -2.286
100 HG2 ARG 9 HG2 ARG 9 0.417 -5.998 -0.510
101 HG3 ARG 9 HG3 ARG 9 -0.827 -4.792 -0.856
102 HD2 ARG 9 HD2 ARG 9 0.243 -6.940 -2.664
103 HD3 ARG 9 HD3 ARG 9 -1.412 -6.711 -2.102
104 HE ARG 9 HE ARG 9 -0.379 -4.523 -3.676
105 HH11 ARG 9 HH11 ARG 9 -2.048 -7.613 -3.767
106 HH12 ARG 9 HH12 ARG 9 -2.770 -7.301 -5.316
107 HH21 ARG 9 HH21 ARG 9 -1.332 -4.130 -5.703
108 HH22 ARG 9 HH22 ARG 9 -2.382 -5.329 -6.407
109 H TRP 10 HN TRP 10 1.320 -1.463 -1.814
110 HA TRP 10 HA TRP 10 3.737 -0.928 -3.079
111 HB2 TRP 10 HB2 TRP 10 2.124 0.486 -3.863
112 HB3 TRP 10 HB3 TRP 10 1.333 0.624 -2.298
113 HD1 TRP 10 HD1 TRP 10 2.017 2.654 -0.747
114 HE1 TRP 10 HE1 TRP 10 3.423 4.771 -1.143
115 HE3 TRP 10 HE3 TRP 10 4.209 1.353 -5.170
116 HZ2 TRP 10 HZ2 TRP 10 5.227 5.760 -3.074
117 HZ3 TRP 10 HZ3 TRP 10 5.756 2.941 -6.241
118 HH2 TRP 10 HH2 TRP 10 6.252 5.104 -5.211
119 H TRP 11 HN TRP 11 2.585 0.008 0.118
120 HA TRP 11 HA TRP 11 4.679 1.669 0.885
121 HB2 TRP 11 HB2 TRP 11 2.389 1.072 2.025
122 HB3 TRP 11 HB3 TRP 11 3.333 -0.158 2.853
123 HD1 TRP 11 HD1 TRP 11 2.169 3.233 3.347
124 HE1 TRP 11 HE1 TRP 11 3.558 4.468 5.137
125 HE3 TRP 11 HE3 TRP 11 6.148 0.060 3.590
126 HZ2 TRP 11 HZ2 TRP 11 6.022 4.110 6.484
127 HZ3 TRP 11 HZ3 TRP 11 7.978 0.557 5.157
128 HH2 TRP 11 HH2 TRP 11 7.920 2.542 6.567
129 H ARG 12 HN ARG 12 4.258 -1.777 1.733
130 HA ARG 12 HA ARG 12 6.786 -1.896 3.006
131 HB2 ARG 12 HB2 ARG 12 4.881 -3.381 3.576
132 HB3 ARG 12 HB3 ARG 12 5.106 -4.214 2.041
133 HG2 ARG 12 HG2 ARG 12 6.134 -5.465 3.846
134 HG3 ARG 12 HG3 ARG 12 7.362 -4.880 2.724
135 HD2 ARG 12 HD2 ARG 12 8.224 -4.514 4.899
136 HD3 ARG 12 HD3 ARG 12 7.703 -2.936 4.310
137 HE ARG 12 HE ARG 12 5.743 -4.372 5.877
138 HH11 ARG 12 HH11 ARG 12 8.308 -1.972 5.877
139 HH12 ARG 12 HH12 ARG 12 7.887 -1.352 7.441
140 HH21 ARG 12 HH21 ARG 12 5.202 -3.553 7.945
141 HH22 ARG 12 HH22 ARG 12 6.143 -2.257 8.629
142 H ARG 13 HN ARG 13 5.763 -2.575 -0.288
143 HA ARG 13 HA ARG 13 8.198 -3.876 -1.031
144 HB2 ARG 13 HB2 ARG 13 5.992 -2.613 -2.639
145 HB3 ARG 13 HB3 ARG 13 7.456 -3.211 -3.400
146 HG2 ARG 13 HG2 ARG 13 7.005 -5.440 -2.455
147 HG3 ARG 13 HG3 ARG 13 5.491 -4.825 -1.790
148 HD2 ARG 13 HD2 ARG 13 4.668 -4.341 -4.018
149 HD3 ARG 13 HD3 ARG 13 6.218 -4.801 -4.722
150 HE ARG 13 HE ARG 13 5.200 -6.964 -3.244
151 HH11 ARG 13 HH11 ARG 13 4.575 -5.187 -6.202
152 HH12 ARG 13 HH12 ARG 13 3.849 -6.548 -7.004
153 HH21 ARG 13 HH21 ARG 13 4.267 -8.750 -4.304
154 HH22 ARG 13 HH22 ARG 13 3.658 -8.574 -5.929
155 H TRP 14 HN TRP 14 6.971 -0.594 -1.664
156 HA TRP 14 HA TRP 14 9.400 0.227 -2.927
157 HB2 TRP 14 HB2 TRP 14 6.981 1.059 -3.302
158 HB3 TRP 14 HB3 TRP 14 7.284 2.090 -1.912
159 HD1 TRP 14 HD1 TRP 14 8.532 1.486 -5.493
160 HE1 TRP 14 HE1 TRP 14 9.625 3.648 -6.358
161 HE3 TRP 14 HE3 TRP 14 8.354 4.236 -1.193
162 HZ2 TRP 14 HZ2 TRP 14 10.322 6.191 -5.331
163 HZ3 TRP 14 HZ3 TRP 14 9.253 6.522 -1.219
164 HH2 TRP 14 HH2 TRP 14 10.215 7.475 -3.243
165 H ARG 15 HN ARG 15 7.793 1.346 0.037
166 HA ARG 15 HA ARG 15 10.067 2.864 0.859
167 HB2 ARG 15 HB2 ARG 15 7.488 2.164 2.249
168 HB3 ARG 15 HB3 ARG 15 8.744 3.128 3.001
169 HG2 ARG 15 HG2 ARG 15 7.327 4.740 2.186
170 HG3 ARG 15 HG3 ARG 15 8.514 4.616 0.889
171 HD2 ARG 15 HD2 ARG 15 7.015 3.170 -0.370
172 HD3 ARG 15 HD3 ARG 15 5.840 3.218 0.945
173 HE ARG 15 HE ARG 15 6.231 5.196 -1.086
174 HH11 ARG 15 HH11 ARG 15 5.212 4.712 2.238
175 HH12 ARG 15 HH12 ARG 15 4.311 6.196 2.314
176 HH21 ARG 15 HH21 ARG 15 5.006 7.150 -0.996
177 HH22 ARG 15 HH22 ARG 15 4.197 7.564 0.489
178 H ARG 16 HN ARG 16 8.836 -0.293 1.491
179 HA ARG 16 HA ARG 16 9.404 -2.002 2.832
180 HB2 ARG 16 HB2 ARG 16 11.806 -2.634 2.789
181 HB3 ARG 16 HB3 ARG 16 11.108 -2.319 1.212
182 HG2 ARG 16 HG2 ARG 16 12.224 -0.193 1.089
183 HG3 ARG 16 HG3 ARG 16 12.808 -0.360 2.745
184 HD2 ARG 16 HD2 ARG 16 13.514 -2.183 0.452
185 HD3 ARG 16 HD3 ARG 16 14.537 -0.888 1.074
186 HE ARG 16 HE ARG 16 14.024 -2.408 3.259
187 HH11 ARG 16 HH11 ARG 16 15.364 -3.079 0.080
188 HH12 ARG 16 HH12 ARG 16 16.322 -4.424 0.639
189 HH21 ARG 16 HH21 ARG 16 15.303 -4.163 3.976
190 HH22 ARG 16 HH22 ARG 16 16.259 -5.054 2.832
Start of MODEL 5
1 H ARG 1 HN ARG 1 -11.655 -0.051 3.499
2 HA ARG 1 HA ARG 1 -11.884 1.768 1.220
3 HB2 ARG 1 HB2 ARG 1 -9.571 1.366 3.126
4 HB3 ARG 1 HB3 ARG 1 -9.650 2.569 1.844
5 HG2 ARG 1 HG2 ARG 1 -11.643 3.547 2.982
6 HG3 ARG 1 HG3 ARG 1 -11.360 2.429 4.317
7 HD2 ARG 1 HD2 ARG 1 -9.096 3.390 4.580
8 HD3 ARG 1 HD3 ARG 1 -9.475 4.555 3.311
9 HE ARG 1 HE ARG 1 -10.839 4.415 5.930
10 HH11 ARG 1 HH11 ARG 1 -9.803 6.214 3.101
11 HH12 ARG 1 HH12 ARG 1 -10.272 7.748 3.753
12 HH21 ARG 1 HH21 ARG 1 -11.465 6.420 6.780
13 HH22 ARG 1 HH22 ARG 1 -11.246 7.868 5.838
14 H ARG 2 HN ARG 2 -11.703 0.794 -0.647
15 HA ARG 2 HA ARG 2 -10.431 -1.720 -0.999
16 HB2 ARG 2 HB2 ARG 2 -10.840 -1.160 -3.498
17 HB3 ARG 2 HB3 ARG 2 -12.219 -1.413 -2.444
18 HG2 ARG 2 HG2 ARG 2 -12.783 0.443 -3.746
19 HG3 ARG 2 HG3 ARG 2 -12.293 1.123 -2.195
20 HD2 ARG 2 HD2 ARG 2 -9.993 1.423 -3.228
21 HD3 ARG 2 HD3 ARG 2 -10.756 1.072 -4.780
22 HE ARG 2 HE ARG 2 -12.090 3.151 -3.308
23 HH11 ARG 2 HH11 ARG 2 -9.539 2.466 -5.625
24 HH12 ARG 2 HH12 ARG 2 -9.379 4.122 -6.120
25 HH21 ARG 2 HH21 ARG 2 -11.842 5.328 -3.949
26 HH22 ARG 2 HH22 ARG 2 -10.684 5.732 -5.185
27 H TRP 3 HN TRP 3 -9.357 1.535 -1.432
28 HA TRP 3 HA TRP 3 -7.183 0.894 -3.166
29 HB2 TRP 3 HB2 TRP 3 -6.447 3.266 -2.613
30 HB3 TRP 3 HB3 TRP 3 -8.021 3.090 -3.378
31 HD1 TRP 3 HD1 TRP 3 -10.186 3.318 -1.644
32 HE1 TRP 3 HE1 TRP 3 -10.462 4.854 0.403
33 HE3 TRP 3 HE3 TRP 3 -5.264 4.377 -0.792
34 HZ2 TRP 3 HZ2 TRP 3 -8.782 6.332 2.146
35 HZ3 TRP 3 HZ3 TRP 3 -4.682 5.861 1.083
36 HH2 TRP 3 HH2 TRP 3 -6.406 6.813 2.515
37 H ARG 4 HN ARG 4 -7.574 1.100 0.297
38 HA ARG 4 HA ARG 4 -4.901 1.428 1.040
39 HB2 ARG 4 HB2 ARG 4 -7.234 0.181 2.457
40 HB3 ARG 4 HB3 ARG 4 -5.642 0.239 3.185
41 HG2 ARG 4 HG2 ARG 4 -7.100 2.668 2.215
42 HG3 ARG 4 HG3 ARG 4 -7.225 2.044 3.859
43 HD2 ARG 4 HD2 ARG 4 -4.660 2.203 3.903
44 HD3 ARG 4 HD3 ARG 4 -4.831 3.220 2.468
45 HE ARG 4 HE ARG 4 -6.584 4.157 4.426
46 HH11 ARG 4 HH11 ARG 4 -3.145 3.943 3.845
47 HH12 ARG 4 HH12 ARG 4 -2.763 5.313 4.844
48 HH21 ARG 4 HH21 ARG 4 -6.095 6.006 5.675
49 HH22 ARG 4 HH22 ARG 4 -4.439 6.516 5.839
50 H ARG 5 HN ARG 5 -6.602 -1.399 -0.046
51 HA ARG 5 HA ARG 5 -4.978 -3.449 0.873
52 HB2 ARG 5 HB2 ARG 5 -6.429 -3.141 -1.753
53 HB3 ARG 5 HB3 ARG 5 -5.607 -4.620 -1.286
54 HG2 ARG 5 HG2 ARG 5 -7.065 -4.817 0.662
55 HG3 ARG 5 HG3 ARG 5 -7.908 -3.342 0.175
56 HD2 ARG 5 HD2 ARG 5 -8.655 -4.378 -1.862
57 HD3 ARG 5 HD3 ARG 5 -7.664 -5.802 -1.552
58 HE ARG 5 HE ARG 5 -9.433 -5.484 0.590
59 HH11 ARG 5 HH11 ARG 5 -9.527 -6.244 -2.829
60 HH12 ARG 5 HH12 ARG 5 -10.936 -7.243 -2.698
61 HH21 ARG 5 HH21 ARG 5 -11.272 -6.807 0.773
62 HH22 ARG 5 HH22 ARG 5 -11.931 -7.583 -0.644
63 H TRP 6 HN TRP 6 -4.695 -1.794 -2.256
64 HA TRP 6 HA TRP 6 -2.184 -3.010 -2.874
65 HB2 TRP 6 HB2 TRP 6 -3.194 -0.513 -4.211
66 HB3 TRP 6 HB3 TRP 6 -2.332 -1.880 -4.918
67 HD1 TRP 6 HD1 TRP 6 -3.990 -4.315 -4.544
68 HE1 TRP 6 HE1 TRP 6 -6.433 -4.534 -5.294
69 HE3 TRP 6 HE3 TRP 6 -5.200 0.656 -4.866
70 HZ2 TRP 6 HZ2 TRP 6 -8.592 -2.829 -5.951
71 HZ3 TRP 6 HZ3 TRP 6 -7.477 1.264 -5.568
72 HH2 TRP 6 HH2 TRP 6 -9.135 -0.443 -6.099
73 H TRP 7 HN TRP 7 -3.272 -0.021 -1.474
74 HA TRP 7 HA TRP 7 -1.051 1.596 -1.422
75 HB2 TRP 7 HB2 TRP 7 -3.264 2.213 -0.587
76 HB3 TRP 7 HB3 TRP 7 -3.105 1.080 0.745
77 HD1 TRP 7 HD1 TRP 7 -1.398 1.778 2.737
78 HE1 TRP 7 HE1 TRP 7 -0.659 4.112 3.539
79 HE3 TRP 7 HE3 TRP 7 -2.712 4.492 -1.380
80 HZ2 TRP 7 HZ2 TRP 7 -0.652 6.750 2.550
81 HZ3 TRP 7 HZ3 TRP 7 -2.313 6.919 -1.376
82 HH2 TRP 7 HH2 TRP 7 -1.302 8.028 0.550
83 H ARG 8 HN ARG 8 -1.902 -0.961 0.903
84 HA ARG 8 HA ARG 8 0.327 -0.585 2.591
85 HB2 ARG 8 HB2 ARG 8 -1.346 -3.077 2.207
86 HB3 ARG 8 HB3 ARG 8 -0.269 -2.755 3.560
87 HG2 ARG 8 HG2 ARG 8 -1.673 -0.830 4.190
88 HG3 ARG 8 HG3 ARG 8 -2.767 -1.229 2.862
89 HD2 ARG 8 HD2 ARG 8 -2.118 -2.977 5.233
90 HD3 ARG 8 HD3 ARG 8 -3.621 -2.093 4.970
91 HE ARG 8 HE ARG 8 -3.019 -3.867 2.819
92 HH11 ARG 8 HH11 ARG 8 -4.363 -3.720 6.051
93 HH12 ARG 8 HH12 ARG 8 -5.336 -5.153 5.842
94 HH21 ARG 8 HH21 ARG 8 -4.272 -5.733 2.531
95 HH22 ARG 8 HH22 ARG 8 -5.292 -6.298 3.824
96 H ARG 9 HN ARG 9 -0.202 -2.606 -0.234
97 HA ARG 9 HA ARG 9 2.174 -4.147 0.125
98 HB2 ARG 9 HB2 ARG 9 0.320 -3.837 -2.221
99 HB3 ARG 9 HB3 ARG 9 1.715 -4.909 -2.234
100 HG2 ARG 9 HG2 ARG 9 0.797 -6.077 -0.264
101 HG3 ARG 9 HG3 ARG 9 -0.627 -5.048 -0.348
102 HD2 ARG 9 HD2 ARG 9 -1.223 -5.962 -2.493
103 HD3 ARG 9 HD3 ARG 9 0.281 -6.886 -2.556
104 HE ARG 9 HE ARG 9 -0.854 -7.747 -0.261
105 HH11 ARG 9 HH11 ARG 9 -2.084 -7.509 -3.549
106 HH12 ARG 9 HH12 ARG 9 -3.154 -8.870 -3.364
107 HH21 ARG 9 HH21 ARG 9 -2.215 -9.544 -0.053
108 HH22 ARG 9 HH22 ARG 9 -3.260 -10.002 -1.365
109 H TRP 10 HN TRP 10 1.336 -1.250 -1.667
110 HA TRP 10 HA TRP 10 3.770 -0.891 -3.027
111 HB2 TRP 10 HB2 TRP 10 2.326 0.681 -3.803
112 HB3 TRP 10 HB3 TRP 10 1.458 0.776 -2.274
113 HD1 TRP 10 HD1 TRP 10 2.179 2.649 -0.564
114 HE1 TRP 10 HE1 TRP 10 3.669 4.722 -0.758
115 HE3 TRP 10 HE3 TRP 10 4.476 1.601 -5.014
116 HZ2 TRP 10 HZ2 TRP 10 5.566 5.791 -2.540
117 HZ3 TRP 10 HZ3 TRP 10 6.112 3.211 -5.896
118 HH2 TRP 10 HH2 TRP 10 6.641 5.264 -4.683
119 H TRP 11 HN TRP 11 2.763 -0.094 0.233
120 HA TRP 11 HA TRP 11 4.887 1.573 0.982
121 HB2 TRP 11 HB2 TRP 11 2.576 0.870 2.132
122 HB3 TRP 11 HB3 TRP 11 3.653 -0.204 3.020
123 HD1 TRP 11 HD1 TRP 11 2.275 3.183 3.155
124 HE1 TRP 11 HE1 TRP 11 3.571 4.650 4.831
125 HE3 TRP 11 HE3 TRP 11 6.343 0.201 3.814
126 HZ2 TRP 11 HZ2 TRP 11 6.010 4.524 6.268
127 HZ3 TRP 11 HZ3 TRP 11 8.115 0.919 5.364
128 HH2 TRP 11 HH2 TRP 11 7.955 3.043 6.565
129 H ARG 12 HN ARG 12 4.471 -1.913 1.702
130 HA ARG 12 HA ARG 12 6.960 -2.099 3.025
131 HB2 ARG 12 HB2 ARG 12 5.176 -3.668 3.521
132 HB3 ARG 12 HB3 ARG 12 5.207 -4.274 1.869
133 HG2 ARG 12 HG2 ARG 12 6.314 -5.793 3.426
134 HG3 ARG 12 HG3 ARG 12 7.434 -5.171 2.215
135 HD2 ARG 12 HD2 ARG 12 8.603 -5.072 4.256
136 HD3 ARG 12 HD3 ARG 12 8.090 -3.418 3.933
137 HE ARG 12 HE ARG 12 6.471 -5.113 5.701
138 HH11 ARG 12 HH11 ARG 12 8.521 -2.308 5.240
139 HH12 ARG 12 HH12 ARG 12 8.224 -1.673 6.821
140 HH21 ARG 12 HH21 ARG 12 6.103 -4.277 7.808
141 HH22 ARG 12 HH22 ARG 12 6.869 -2.784 8.278
142 H ARG 13 HN ARG 13 6.041 -2.551 -0.327
143 HA ARG 13 HA ARG 13 8.475 -3.822 -1.090
144 HB2 ARG 13 HB2 ARG 13 6.375 -2.419 -2.739
145 HB3 ARG 13 HB3 ARG 13 7.761 -3.259 -3.425
146 HG2 ARG 13 HG2 ARG 13 7.000 -5.343 -2.404
147 HG3 ARG 13 HG3 ARG 13 5.608 -4.497 -1.725
148 HD2 ARG 13 HD2 ARG 13 4.877 -3.918 -4.003
149 HD3 ARG 13 HD3 ARG 13 6.240 -4.824 -4.656
150 HE ARG 13 HE ARG 13 5.005 -6.666 -3.146
151 HH11 ARG 13 HH11 ARG 13 3.776 -4.430 -5.566
152 HH12 ARG 13 HH12 ARG 13 2.519 -5.515 -6.083
153 HH21 ARG 13 HH21 ARG 13 3.322 -8.051 -3.804
154 HH22 ARG 13 HH22 ARG 13 2.240 -7.551 -5.074
155 H TRP 14 HN TRP 14 7.247 -0.517 -1.729
156 HA TRP 14 HA TRP 14 9.737 0.254 -2.897
157 HB2 TRP 14 HB2 TRP 14 7.426 1.148 -3.488
158 HB3 TRP 14 HB3 TRP 14 7.550 2.137 -2.037
159 HD1 TRP 14 HD1 TRP 14 8.935 1.813 -5.567
160 HE1 TRP 14 HE1 TRP 14 10.253 3.945 -6.140
161 HE3 TRP 14 HE3 TRP 14 8.935 4.036 -0.954
162 HZ2 TRP 14 HZ2 TRP 14 11.168 6.257 -4.813
163 HZ3 TRP 14 HZ3 TRP 14 10.061 6.206 -0.698
164 HH2 TRP 14 HH2 TRP 14 11.155 7.289 -2.592
165 H ARG 15 HN ARG 15 8.056 1.338 0.053
166 HA ARG 15 HA ARG 15 10.295 2.886 0.932
167 HB2 ARG 15 HB2 ARG 15 7.697 2.080 2.213
168 HB3 ARG 15 HB3 ARG 15 8.945 2.902 3.129
169 HG2 ARG 15 HG2 ARG 15 7.640 4.665 2.494
170 HG3 ARG 15 HG3 ARG 15 8.821 4.639 1.186
171 HD2 ARG 15 HD2 ARG 15 7.250 3.422 -0.227
172 HD3 ARG 15 HD3 ARG 15 6.085 3.376 1.096
173 HE ARG 15 HE ARG 15 6.756 5.667 -0.575
174 HH11 ARG 15 HH11 ARG 15 5.124 4.477 2.301
175 HH12 ARG 15 HH12 ARG 15 4.107 5.876 2.462
176 HH21 ARG 15 HH21 ARG 15 5.413 7.493 -0.381
177 HH22 ARG 15 HH22 ARG 15 4.260 7.578 0.914
178 H ARG 16 HN ARG 16 8.727 -0.029 2.180
179 HA ARG 16 HA ARG 16 9.439 -1.783 3.412
180 HB2 ARG 16 HB2 ARG 16 11.070 -1.959 1.517
181 HB3 ARG 16 HB3 ARG 16 12.215 -1.044 2.493
182 HG2 ARG 16 HG2 ARG 16 12.220 -2.790 4.177
183 HG3 ARG 16 HG3 ARG 16 10.998 -3.686 3.273
184 HD2 ARG 16 HD2 ARG 16 12.573 -3.873 1.384
185 HD3 ARG 16 HD3 ARG 16 13.803 -3.057 2.354
186 HE ARG 16 HE ARG 16 12.907 -5.214 3.847
187 HH11 ARG 16 HH11 ARG 16 14.563 -4.684 0.801
188 HH12 ARG 16 HH12 ARG 16 15.398 -6.206 0.849
189 HH21 ARG 16 HH21 ARG 16 13.989 -7.181 3.919
190 HH22 ARG 16 HH22 ARG 16 15.059 -7.644 2.629
Start of MODEL 6
1 H ARG 1 HN ARG 1 -13.315 0.914 1.351
2 HA ARG 1 HA ARG 1 -10.889 2.504 1.050
3 HB2 ARG 1 HB2 ARG 1 -11.786 0.443 3.047
4 HB3 ARG 1 HB3 ARG 1 -10.112 0.977 2.978
5 HG2 ARG 1 HG2 ARG 1 -10.807 3.269 3.405
6 HG3 ARG 1 HG3 ARG 1 -12.497 2.762 3.426
7 HD2 ARG 1 HD2 ARG 1 -10.435 1.604 5.283
8 HD3 ARG 1 HD3 ARG 1 -11.353 3.056 5.676
9 HE ARG 1 HE ARG 1 -13.259 1.223 5.003
10 HH11 ARG 1 HH11 ARG 1 -10.566 1.141 7.273
11 HH12 ARG 1 HH12 ARG 1 -11.448 0.213 8.449
12 HH21 ARG 1 HH21 ARG 1 -14.399 0.036 6.596
13 HH22 ARG 1 HH22 ARG 1 -13.604 -0.394 8.080
14 H ARG 2 HN ARG 2 -11.726 0.712 -1.065
15 HA ARG 2 HA ARG 2 -10.307 -1.694 -1.096
16 HB2 ARG 2 HB2 ARG 2 -10.453 -1.301 -3.684
17 HB3 ARG 2 HB3 ARG 2 -11.892 -1.648 -2.740
18 HG2 ARG 2 HG2 ARG 2 -12.468 0.096 -4.217
19 HG3 ARG 2 HG3 ARG 2 -12.292 0.839 -2.632
20 HD2 ARG 2 HD2 ARG 2 -9.961 1.493 -3.308
21 HD3 ARG 2 HD3 ARG 2 -10.344 0.922 -4.931
22 HE ARG 2 HE ARG 2 -12.145 2.907 -3.793
23 HH11 ARG 2 HH11 ARG 2 -9.462 2.229 -5.931
24 HH12 ARG 2 HH12 ARG 2 -9.594 3.729 -6.795
25 HH21 ARG 2 HH21 ARG 2 -12.345 4.867 -4.908
26 HH22 ARG 2 HH22 ARG 2 -11.251 5.244 -6.213
27 H TRP 3 HN TRP 3 -9.229 1.536 -1.664
28 HA TRP 3 HA TRP 3 -6.936 0.887 -3.210
29 HB2 TRP 3 HB2 TRP 3 -6.236 3.240 -2.715
30 HB3 TRP 3 HB3 TRP 3 -7.841 3.091 -3.422
31 HD1 TRP 3 HD1 TRP 3 -9.950 3.432 -1.659
32 HE1 TRP 3 HE1 TRP 3 -10.117 4.928 0.437
33 HE3 TRP 3 HE3 TRP 3 -4.966 4.222 -0.842
34 HZ2 TRP 3 HZ2 TRP 3 -8.353 6.274 2.185
35 HZ3 TRP 3 HZ3 TRP 3 -4.289 5.625 1.060
36 HH2 TRP 3 HH2 TRP 3 -5.949 6.628 2.543
37 H ARG 4 HN ARG 4 -7.527 1.155 0.217
38 HA ARG 4 HA ARG 4 -4.904 1.351 1.148
39 HB2 ARG 4 HB2 ARG 4 -7.380 0.163 2.358
40 HB3 ARG 4 HB3 ARG 4 -5.840 0.159 3.207
41 HG2 ARG 4 HG2 ARG 4 -7.148 2.655 2.154
42 HG3 ARG 4 HG3 ARG 4 -7.366 2.051 3.799
43 HD2 ARG 4 HD2 ARG 4 -4.712 2.764 2.543
44 HD3 ARG 4 HD3 ARG 4 -5.620 3.803 3.637
45 HE ARG 4 HE ARG 4 -5.149 1.256 4.819
46 HH11 ARG 4 HH11 ARG 4 -3.623 4.313 4.081
47 HH12 ARG 4 HH12 ARG 4 -2.403 4.155 5.309
48 HH21 ARG 4 HH21 ARG 4 -3.554 1.043 6.467
49 HH22 ARG 4 HH22 ARG 4 -2.391 2.314 6.692
50 H ARG 5 HN ARG 5 -6.649 -1.354 -0.107
51 HA ARG 5 HA ARG 5 -5.121 -3.495 0.815
52 HB2 ARG 5 HB2 ARG 5 -7.217 -3.744 -0.451
53 HB3 ARG 5 HB3 ARG 5 -6.415 -3.139 -1.894
54 HG2 ARG 5 HG2 ARG 5 -4.838 -5.092 -1.691
55 HG3 ARG 5 HG3 ARG 5 -5.930 -5.732 -0.462
56 HD2 ARG 5 HD2 ARG 5 -6.656 -5.073 -3.312
57 HD3 ARG 5 HD3 ARG 5 -6.381 -6.690 -2.669
58 HE ARG 5 HE ARG 5 -8.513 -5.050 -1.504
59 HH11 ARG 5 HH11 ARG 5 -7.520 -7.792 -3.431
60 HH12 ARG 5 HH12 ARG 5 -9.093 -8.529 -3.457
61 HH21 ARG 5 HH21 ARG 5 -10.610 -6.004 -1.542
62 HH22 ARG 5 HH22 ARG 5 -10.845 -7.518 -2.377
63 H TRP 6 HN TRP 6 -4.741 -1.722 -2.262
64 HA TRP 6 HA TRP 6 -2.257 -2.986 -2.894
65 HB2 TRP 6 HB2 TRP 6 -3.198 -0.398 -4.105
66 HB3 TRP 6 HB3 TRP 6 -2.269 -1.692 -4.858
67 HD1 TRP 6 HD1 TRP 6 -3.901 -4.174 -4.727
68 HE1 TRP 6 HE1 TRP 6 -6.283 -4.385 -5.649
69 HE3 TRP 6 HE3 TRP 6 -5.164 0.782 -4.820
70 HZ2 TRP 6 HZ2 TRP 6 -8.420 -2.672 -6.347
71 HZ3 TRP 6 HZ3 TRP 6 -7.404 1.412 -5.642
72 HH2 TRP 6 HH2 TRP 6 -8.994 -0.281 -6.387
73 H TRP 7 HN TRP 7 -3.248 -0.047 -1.349
74 HA TRP 7 HA TRP 7 -1.025 1.550 -1.319
75 HB2 TRP 7 HB2 TRP 7 -3.179 2.164 -0.391
76 HB3 TRP 7 HB3 TRP 7 -3.000 0.978 0.891
77 HD1 TRP 7 HD1 TRP 7 -1.225 1.578 2.855
78 HE1 TRP 7 HE1 TRP 7 -0.423 3.856 3.737
79 HE3 TRP 7 HE3 TRP 7 -2.593 4.487 -1.108
80 HZ2 TRP 7 HZ2 TRP 7 -0.389 6.527 2.866
81 HZ3 TRP 7 HZ3 TRP 7 -2.138 6.907 -1.006
82 HH2 TRP 7 HH2 TRP 7 -1.053 7.903 0.944
83 H ARG 8 HN ARG 8 -1.770 -1.003 1.046
84 HA ARG 8 HA ARG 8 0.592 -0.581 2.548
85 HB2 ARG 8 HB2 ARG 8 -0.009 -2.623 3.739
86 HB3 ARG 8 HB3 ARG 8 -1.408 -1.583 3.531
87 HG2 ARG 8 HG2 ARG 8 -2.068 -2.994 1.578
88 HG3 ARG 8 HG3 ARG 8 -0.760 -4.095 2.012
89 HD2 ARG 8 HD2 ARG 8 -2.794 -4.937 2.957
90 HD3 ARG 8 HD3 ARG 8 -1.786 -4.325 4.268
91 HE ARG 8 HE ARG 8 -3.575 -2.320 3.360
92 HH11 ARG 8 HH11 ARG 8 -3.449 -5.251 5.267
93 HH12 ARG 8 HH12 ARG 8 -4.840 -4.842 6.225
94 HH21 ARG 8 HH21 ARG 8 -5.420 -1.784 4.610
95 HH22 ARG 8 HH22 ARG 8 -5.971 -2.877 5.843
96 H ARG 9 HN ARG 9 -0.168 -2.637 -0.186
97 HA ARG 9 HA ARG 9 2.143 -4.280 -0.024
98 HB2 ARG 9 HB2 ARG 9 0.196 -3.642 -2.199
99 HB3 ARG 9 HB3 ARG 9 1.656 -4.543 -2.566
100 HG2 ARG 9 HG2 ARG 9 0.995 -6.210 -0.859
101 HG3 ARG 9 HG3 ARG 9 -0.516 -5.324 -0.639
102 HD2 ARG 9 HD2 ARG 9 -0.720 -7.271 -2.170
103 HD3 ARG 9 HD3 ARG 9 -1.159 -5.731 -2.910
104 HE ARG 9 HE ARG 9 1.307 -5.855 -3.743
105 HH11 ARG 9 HH11 ARG 9 -0.884 -8.581 -3.437
106 HH12 ARG 9 HH12 ARG 9 -0.208 -9.432 -4.793
107 HH21 ARG 9 HH21 ARG 9 2.195 -6.973 -5.498
108 HH22 ARG 9 HH22 ARG 9 1.554 -8.523 -5.955
109 H TRP 10 HN TRP 10 1.372 -1.288 -1.709
110 HA TRP 10 HA TRP 10 3.819 -0.940 -3.047
111 HB2 TRP 10 HB2 TRP 10 2.235 0.524 -3.828
112 HB3 TRP 10 HB3 TRP 10 1.562 0.823 -2.229
113 HD1 TRP 10 HD1 TRP 10 2.364 2.945 -0.971
114 HE1 TRP 10 HE1 TRP 10 4.004 4.854 -1.511
115 HE3 TRP 10 HE3 TRP 10 4.574 0.964 -5.127
116 HZ2 TRP 10 HZ2 TRP 10 5.990 5.430 -3.429
117 HZ3 TRP 10 HZ3 TRP 10 6.333 2.260 -6.262
118 HH2 TRP 10 HH2 TRP 10 7.024 4.446 -5.432
119 H TRP 11 HN TRP 11 2.718 0.147 0.118
120 HA TRP 11 HA TRP 11 4.862 1.710 0.898
121 HB2 TRP 11 HB2 TRP 11 2.562 1.139 2.049
122 HB3 TRP 11 HB3 TRP 11 3.510 -0.098 2.869
123 HD1 TRP 11 HD1 TRP 11 2.383 3.318 3.350
124 HE1 TRP 11 HE1 TRP 11 3.795 4.549 5.127
125 HE3 TRP 11 HE3 TRP 11 6.314 0.097 3.597
126 HZ2 TRP 11 HZ2 TRP 11 6.272 4.169 6.463
127 HZ3 TRP 11 HZ3 TRP 11 8.163 0.581 5.148
128 HH2 TRP 11 HH2 TRP 11 8.147 2.575 6.544
129 H ARG 12 HN ARG 12 4.367 -1.719 1.745
130 HA ARG 12 HA ARG 12 6.871 -1.953 3.002
131 HB2 ARG 12 HB2 ARG 12 4.911 -3.439 3.414
132 HB3 ARG 12 HB3 ARG 12 5.201 -4.189 1.848
133 HG2 ARG 12 HG2 ARG 12 6.132 -5.558 3.584
134 HG3 ARG 12 HG3 ARG 12 7.440 -4.869 2.623
135 HD2 ARG 12 HD2 ARG 12 8.136 -4.635 4.858
136 HD3 ARG 12 HD3 ARG 12 7.560 -3.039 4.384
137 HE ARG 12 HE ARG 12 5.575 -4.693 5.682
138 HH11 ARG 12 HH11 ARG 12 8.035 -2.201 6.108
139 HH12 ARG 12 HH12 ARG 12 7.494 -1.809 7.715
140 HH21 ARG 12 HH21 ARG 12 4.886 -4.129 7.788
141 HH22 ARG 12 HH22 ARG 12 5.732 -2.888 8.666
142 H ARG 13 HN ARG 13 5.915 -2.324 -0.341
143 HA ARG 13 HA ARG 13 8.187 -3.812 -1.155
144 HB2 ARG 13 HB2 ARG 13 6.196 -3.937 -2.452
145 HB3 ARG 13 HB3 ARG 13 6.122 -2.191 -2.629
146 HG2 ARG 13 HG2 ARG 13 6.853 -3.177 -4.674
147 HG3 ARG 13 HG3 ARG 13 8.175 -2.268 -3.944
148 HD2 ARG 13 HD2 ARG 13 9.047 -4.402 -3.006
149 HD3 ARG 13 HD3 ARG 13 7.794 -5.257 -3.903
150 HE ARG 13 HE ARG 13 8.879 -4.192 -5.934
151 HH11 ARG 13 HH11 ARG 13 10.640 -5.063 -3.037
152 HH12 ARG 13 HH12 ARG 13 12.157 -5.256 -3.862
153 HH21 ARG 13 HH21 ARG 13 10.872 -4.423 -7.016
154 HH22 ARG 13 HH22 ARG 13 12.293 -4.870 -6.118
155 H TRP 14 HN TRP 14 7.278 -0.404 -1.796
156 HA TRP 14 HA TRP 14 9.883 0.163 -2.856
157 HB2 TRP 14 HB2 TRP 14 7.737 1.265 -3.602
158 HB3 TRP 14 HB3 TRP 14 7.751 2.158 -2.085
159 HD1 TRP 14 HD1 TRP 14 9.415 2.040 -5.506
160 HE1 TRP 14 HE1 TRP 14 10.887 4.128 -5.810
161 HE3 TRP 14 HE3 TRP 14 9.191 3.895 -0.745
162 HZ2 TRP 14 HZ2 TRP 14 11.819 6.280 -4.240
163 HZ3 TRP 14 HZ3 TRP 14 10.393 5.976 -0.230
164 HH2 TRP 14 HH2 TRP 14 11.683 7.146 -1.945
165 H ARG 15 HN ARG 15 8.114 1.281 0.010
166 HA ARG 15 HA ARG 15 10.354 2.772 0.976
167 HB2 ARG 15 HB2 ARG 15 7.675 2.088 2.187
168 HB3 ARG 15 HB3 ARG 15 8.892 3.017 3.043
169 HG2 ARG 15 HG2 ARG 15 7.508 4.634 2.166
170 HG3 ARG 15 HG3 ARG 15 8.825 4.576 0.995
171 HD2 ARG 15 HD2 ARG 15 7.393 2.982 -0.349
172 HD3 ARG 15 HD3 ARG 15 6.071 3.365 0.753
173 HE ARG 15 HE ARG 15 6.987 4.950 -1.422
174 HH11 ARG 15 HH11 ARG 15 5.643 5.193 1.808
175 HH12 ARG 15 HH12 ARG 15 5.018 6.800 1.567
176 HH21 ARG 15 HH21 ARG 15 6.156 7.043 -1.758
177 HH22 ARG 15 HH22 ARG 15 5.292 7.838 -0.473
178 H ARG 16 HN ARG 16 8.869 -0.295 1.705
179 HA ARG 16 HA ARG 16 9.451 -2.093 2.910
180 HB2 ARG 16 HB2 ARG 16 11.575 -2.030 1.701
181 HB3 ARG 16 HB3 ARG 16 12.239 -0.923 2.900
182 HG2 ARG 16 HG2 ARG 16 11.921 -2.648 4.627
183 HG3 ARG 16 HG3 ARG 16 11.333 -3.753 3.391
184 HD2 ARG 16 HD2 ARG 16 13.480 -3.716 2.284
185 HD3 ARG 16 HD3 ARG 16 14.078 -2.511 3.431
186 HE ARG 16 HE ARG 16 13.495 -4.346 5.148
187 HH11 ARG 16 HH11 ARG 16 14.875 -4.879 1.960
188 HH12 ARG 16 HH12 ARG 16 15.562 -6.422 2.385
189 HH21 ARG 16 HH21 ARG 16 14.405 -6.342 5.715
190 HH22 ARG 16 HH22 ARG 16 15.299 -7.250 4.530
Start of MODEL 7
1 H ARG 1 HN ARG 1 -12.596 -0.993 1.332
2 HA ARG 1 HA ARG 1 -10.605 1.192 1.313
3 HB2 ARG 1 HB2 ARG 1 -10.371 -1.396 2.831
4 HB3 ARG 1 HB3 ARG 1 -9.484 0.094 3.093
5 HG2 ARG 1 HG2 ARG 1 -11.319 1.134 4.122
6 HG3 ARG 1 HG3 ARG 1 -12.450 -0.086 3.526
7 HD2 ARG 1 HD2 ARG 1 -10.334 -0.391 5.644
8 HD3 ARG 1 HD3 ARG 1 -12.080 -0.593 5.808
9 HE ARG 1 HE ARG 1 -11.574 -2.469 4.031
10 HH11 ARG 1 HH11 ARG 1 -9.928 -1.706 7.015
11 HH12 ARG 1 HH12 ARG 1 -9.229 -3.292 7.185
12 HH21 ARG 1 HH21 ARG 1 -10.630 -4.527 4.199
13 HH22 ARG 1 HH22 ARG 1 -9.589 -4.890 5.549
14 H ARG 2 HN ARG 2 -11.369 -0.635 -0.952
15 HA ARG 2 HA ARG 2 -9.483 -2.669 -1.282
16 HB2 ARG 2 HB2 ARG 2 -10.879 -1.068 -3.422
17 HB3 ARG 2 HB3 ARG 2 -10.007 -2.570 -3.689
18 HG2 ARG 2 HG2 ARG 2 -11.628 -3.506 -1.874
19 HG3 ARG 2 HG3 ARG 2 -12.617 -2.115 -2.328
20 HD2 ARG 2 HD2 ARG 2 -11.578 -4.234 -4.202
21 HD3 ARG 2 HD3 ARG 2 -13.221 -4.140 -3.574
22 HE ARG 2 HE ARG 2 -12.632 -1.719 -4.860
23 HH11 ARG 2 HH11 ARG 2 -13.172 -5.111 -5.623
24 HH12 ARG 2 HH12 ARG 2 -13.695 -4.780 -7.248
25 HH21 ARG 2 HH21 ARG 2 -13.317 -1.318 -7.024
26 HH22 ARG 2 HH22 ARG 2 -13.780 -2.662 -8.029
27 H TRP 3 HN TRP 3 -9.256 0.723 -1.852
28 HA TRP 3 HA TRP 3 -6.873 0.759 -3.377
29 HB2 TRP 3 HB2 TRP 3 -6.780 3.166 -2.593
30 HB3 TRP 3 HB3 TRP 3 -8.272 2.701 -3.404
31 HD1 TRP 3 HD1 TRP 3 -10.502 2.607 -1.905
32 HE1 TRP 3 HE1 TRP 3 -11.070 3.549 0.422
33 HE3 TRP 3 HE3 TRP 3 -5.777 3.710 -0.313
34 HZ2 TRP 3 HZ2 TRP 3 -9.684 4.628 2.645
35 HZ3 TRP 3 HZ3 TRP 3 -5.476 4.690 1.919
36 HH2 TRP 3 HH2 TRP 3 -7.391 5.129 3.370
37 H ARG 4 HN ARG 4 -7.532 0.625 0.071
38 HA ARG 4 HA ARG 4 -4.979 1.464 0.962
39 HB2 ARG 4 HB2 ARG 4 -6.955 1.597 2.396
40 HB3 ARG 4 HB3 ARG 4 -7.113 -0.156 2.358
41 HG2 ARG 4 HG2 ARG 4 -6.134 0.316 4.410
42 HG3 ARG 4 HG3 ARG 4 -4.796 -0.223 3.393
43 HD2 ARG 4 HD2 ARG 4 -3.939 1.655 4.489
44 HD3 ARG 4 HD3 ARG 4 -4.437 2.285 2.919
45 HE ARG 4 HE ARG 4 -6.606 2.567 4.635
46 HH11 ARG 4 HH11 ARG 4 -3.330 3.793 4.398
47 HH12 ARG 4 HH12 ARG 4 -3.707 5.296 5.187
48 HH21 ARG 4 HH21 ARG 4 -7.083 4.489 5.700
49 HH22 ARG 4 HH22 ARG 4 -5.843 5.687 5.941
50 H ARG 5 HN ARG 5 -6.375 -1.563 0.045
51 HA ARG 5 HA ARG 5 -4.464 -3.366 0.966
52 HB2 ARG 5 HB2 ARG 5 -6.499 -4.182 0.027
53 HB3 ARG 5 HB3 ARG 5 -6.214 -3.344 -1.488
54 HG2 ARG 5 HG2 ARG 5 -4.250 -4.849 -1.858
55 HG3 ARG 5 HG3 ARG 5 -4.781 -5.767 -0.445
56 HD2 ARG 5 HD2 ARG 5 -5.572 -6.654 -2.661
57 HD3 ARG 5 HD3 ARG 5 -6.844 -6.330 -1.483
58 HE ARG 5 HE ARG 5 -6.403 -4.068 -3.134
59 HH11 ARG 5 HH11 ARG 5 -7.839 -7.252 -3.212
60 HH12 ARG 5 HH12 ARG 5 -9.059 -6.818 -4.377
61 HH21 ARG 5 HH21 ARG 5 -8.008 -3.486 -4.653
62 HH22 ARG 5 HH22 ARG 5 -9.142 -4.677 -5.209
63 H TRP 6 HN TRP 6 -4.589 -1.605 -2.147
64 HA TRP 6 HA TRP 6 -2.091 -2.531 -3.096
65 HB2 TRP 6 HB2 TRP 6 -3.475 0.069 -3.786
66 HB3 TRP 6 HB3 TRP 6 -2.221 -0.727 -4.728
67 HD1 TRP 6 HD1 TRP 6 -3.280 -3.627 -4.950
68 HE1 TRP 6 HE1 TRP 6 -5.436 -4.159 -6.229
69 HE3 TRP 6 HE3 TRP 6 -5.439 0.990 -4.835
70 HZ2 TRP 6 HZ2 TRP 6 -7.755 -2.804 -7.096
71 HZ3 TRP 6 HZ3 TRP 6 -7.626 1.295 -5.921
72 HH2 TRP 6 HH2 TRP 6 -8.758 -0.561 -7.028
73 H TRP 7 HN TRP 7 -3.113 0.334 -1.340
74 HA TRP 7 HA TRP 7 -0.805 1.767 -1.041
75 HB2 TRP 7 HB2 TRP 7 -2.802 2.633 -0.146
76 HB3 TRP 7 HB3 TRP 7 -3.093 1.198 0.829
77 HD1 TRP 7 HD1 TRP 7 -1.652 0.954 3.109
78 HE1 TRP 7 HE1 TRP 7 -0.599 2.751 4.624
79 HE3 TRP 7 HE3 TRP 7 -1.669 4.871 -0.175
80 HZ2 TRP 7 HZ2 TRP 7 0.108 5.470 4.441
81 HZ3 TRP 7 HZ3 TRP 7 -0.793 7.045 0.578
82 HH2 TRP 7 HH2 TRP 7 0.080 7.333 2.843
83 H ARG 8 HN ARG 8 -1.821 -1.017 0.927
84 HA ARG 8 HA ARG 8 0.400 -0.986 2.666
85 HB2 ARG 8 HB2 ARG 8 -1.527 -3.176 1.900
86 HB3 ARG 8 HB3 ARG 8 -0.268 -3.396 3.106
87 HG2 ARG 8 HG2 ARG 8 -1.253 -1.516 4.398
88 HG3 ARG 8 HG3 ARG 8 -2.576 -1.466 3.229
89 HD2 ARG 8 HD2 ARG 8 -3.112 -2.769 5.275
90 HD3 ARG 8 HD3 ARG 8 -3.228 -3.712 3.790
91 HE ARG 8 HE ARG 8 -0.832 -3.828 5.505
92 HH11 ARG 8 HH11 ARG 8 -3.489 -5.387 3.854
93 HH12 ARG 8 HH12 ARG 8 -2.873 -6.997 4.077
94 HH21 ARG 8 HH21 ARG 8 0.007 -5.944 5.818
95 HH22 ARG 8 HH22 ARG 8 -0.865 -7.309 5.180
96 H ARG 9 HN ARG 9 -0.280 -2.929 -0.234
97 HA ARG 9 HA ARG 9 2.112 -4.398 -0.224
98 HB2 ARG 9 HB2 ARG 9 0.122 -4.943 -1.603
99 HB3 ARG 9 HB3 ARG 9 0.461 -3.543 -2.611
100 HG2 ARG 9 HG2 ARG 9 1.222 -5.633 -3.631
101 HG3 ARG 9 HG3 ARG 9 2.549 -4.509 -3.334
102 HD2 ARG 9 HD2 ARG 9 3.146 -5.739 -1.315
103 HD3 ARG 9 HD3 ARG 9 1.808 -6.855 -1.590
104 HE ARG 9 HE ARG 9 2.981 -7.459 -3.712
105 HH11 ARG 9 HH11 ARG 9 4.750 -6.170 -0.983
106 HH12 ARG 9 HH12 ARG 9 6.261 -6.904 -1.434
107 HH21 ARG 9 HH21 ARG 9 4.964 -8.444 -4.314
108 HH22 ARG 9 HH22 ARG 9 6.372 -8.216 -3.320
109 H TRP 10 HN TRP 10 1.289 -1.293 -1.704
110 HA TRP 10 HA TRP 10 3.719 -0.790 -3.015
111 HB2 TRP 10 HB2 TRP 10 2.049 0.649 -3.672
112 HB3 TRP 10 HB3 TRP 10 1.408 0.819 -2.042
113 HD1 TRP 10 HD1 TRP 10 2.171 2.890 -0.666
114 HE1 TRP 10 HE1 TRP 10 3.695 4.906 -1.134
115 HE3 TRP 10 HE3 TRP 10 4.268 1.309 -5.041
116 HZ2 TRP 10 HZ2 TRP 10 5.535 5.727 -3.108
117 HZ3 TRP 10 HZ3 TRP 10 5.895 2.771 -6.172
118 HH2 TRP 10 HH2 TRP 10 6.514 4.938 -5.221
119 H TRP 11 HN TRP 11 2.637 -0.053 0.255
120 HA TRP 11 HA TRP 11 4.733 1.647 1.001
121 HB2 TRP 11 HB2 TRP 11 2.404 0.926 2.139
122 HB3 TRP 11 HB3 TRP 11 3.496 -0.090 3.075
123 HD1 TRP 11 HD1 TRP 11 1.982 3.215 3.161
124 HE1 TRP 11 HE1 TRP 11 3.214 4.788 4.789
125 HE3 TRP 11 HE3 TRP 11 6.254 0.500 3.812
126 HZ2 TRP 11 HZ2 TRP 11 5.690 4.857 6.163
127 HZ3 TRP 11 HZ3 TRP 11 8.009 1.383 5.298
128 HH2 TRP 11 HH2 TRP 11 7.733 3.519 6.446
129 H ARG 12 HN ARG 12 4.277 -1.813 1.804
130 HA ARG 12 HA ARG 12 6.746 -2.086 3.126
131 HB2 ARG 12 HB2 ARG 12 5.045 -3.698 3.564
132 HB3 ARG 12 HB3 ARG 12 4.917 -4.122 1.862
133 HG2 ARG 12 HG2 ARG 12 6.080 -5.857 3.084
134 HG3 ARG 12 HG3 ARG 12 7.168 -5.082 1.935
135 HD2 ARG 12 HD2 ARG 12 7.825 -3.589 3.953
136 HD3 ARG 12 HD3 ARG 12 7.101 -4.868 4.925
137 HE ARG 12 HE ARG 12 8.874 -6.076 3.145
138 HH11 ARG 12 HH11 ARG 12 8.946 -3.929 5.907
139 HH12 ARG 12 HH12 ARG 12 10.616 -4.253 6.278
140 HH21 ARG 12 HH21 ARG 12 11.046 -6.551 3.641
141 HH22 ARG 12 HH22 ARG 12 11.811 -5.763 4.991
142 H ARG 13 HN ARG 13 5.851 -2.562 -0.252
143 HA ARG 13 HA ARG 13 8.222 -3.908 -0.979
144 HB2 ARG 13 HB2 ARG 13 6.191 -4.209 -2.238
145 HB3 ARG 13 HB3 ARG 13 6.107 -2.489 -2.592
146 HG2 ARG 13 HG2 ARG 13 8.197 -2.686 -3.856
147 HG3 ARG 13 HG3 ARG 13 8.175 -4.425 -3.564
148 HD2 ARG 13 HD2 ARG 13 6.063 -4.621 -4.733
149 HD3 ARG 13 HD3 ARG 13 6.010 -2.879 -4.980
150 HE ARG 13 HE ARG 13 8.316 -4.310 -6.059
151 HH11 ARG 13 HH11 ARG 13 5.216 -2.786 -6.642
152 HH12 ARG 13 HH12 ARG 13 5.471 -2.617 -8.351
153 HH21 ARG 13 HH21 ARG 13 8.657 -4.127 -8.285
154 HH22 ARG 13 HH22 ARG 13 7.444 -3.404 -9.299
155 H TRP 14 HN TRP 14 7.075 -0.596 -1.681
156 HA TRP 14 HA TRP 14 9.541 0.067 -2.968
157 HB2 TRP 14 HB2 TRP 14 7.214 0.981 -3.494
158 HB3 TRP 14 HB3 TRP 14 7.454 2.048 -2.116
159 HD1 TRP 14 HD1 TRP 14 8.989 1.287 -5.561
160 HE1 TRP 14 HE1 TRP 14 10.191 3.399 -6.406
161 HE3 TRP 14 HE3 TRP 14 8.441 4.215 -1.432
162 HZ2 TRP 14 HZ2 TRP 14 10.809 5.982 -5.445
163 HZ3 TRP 14 HZ3 TRP 14 9.359 6.498 -1.469
164 HH2 TRP 14 HH2 TRP 14 10.520 7.361 -3.436
165 H ARG 15 HN ARG 15 8.006 1.167 0.041
166 HA ARG 15 HA ARG 15 10.156 2.953 0.633
167 HB2 ARG 15 HB2 ARG 15 7.688 2.134 2.121
168 HB3 ARG 15 HB3 ARG 15 8.935 3.086 2.905
169 HG2 ARG 15 HG2 ARG 15 7.465 4.692 2.154
170 HG3 ARG 15 HG3 ARG 15 8.687 4.664 0.884
171 HD2 ARG 15 HD2 ARG 15 7.216 3.104 -0.390
172 HD3 ARG 15 HD3 ARG 15 5.976 3.355 0.842
173 HE ARG 15 HE ARG 15 6.719 5.151 -1.273
174 HH11 ARG 15 HH11 ARG 15 5.287 4.935 1.919
175 HH12 ARG 15 HH12 ARG 15 4.432 6.444 1.779
176 HH21 ARG 15 HH21 ARG 15 5.586 7.137 -1.459
177 HH22 ARG 15 HH22 ARG 15 4.613 7.690 -0.134
178 H ARG 16 HN ARG 16 9.398 -0.329 1.588
179 HA ARG 16 HA ARG 16 11.546 -0.192 3.583
180 HB2 ARG 16 HB2 ARG 16 9.359 -2.241 3.197
181 HB3 ARG 16 HB3 ARG 16 10.637 -2.376 4.400
182 HG2 ARG 16 HG2 ARG 16 8.650 -0.112 4.251
183 HG3 ARG 16 HG3 ARG 16 8.483 -1.526 5.292
184 HD2 ARG 16 HD2 ARG 16 9.371 0.335 6.563
185 HD3 ARG 16 HD3 ARG 16 10.601 -0.921 6.407
186 HE ARG 16 HE ARG 16 10.945 0.900 4.316
187 HH11 ARG 16 HH11 ARG 16 11.171 0.860 7.799
188 HH12 ARG 16 HH12 ARG 16 12.494 1.987 7.860
189 HH21 ARG 16 HH21 ARG 16 12.659 2.380 4.357
190 HH22 ARG 16 HH22 ARG 16 13.345 2.876 5.879
Start of MODEL 8
1 H ARG 1 HN ARG 1 -11.753 0.892 2.846
2 HA ARG 1 HA ARG 1 -11.520 2.364 0.356
3 HB2 ARG 1 HB2 ARG 1 -9.592 2.076 2.674
4 HB3 ARG 1 HB3 ARG 1 -9.363 3.148 1.299
5 HG2 ARG 1 HG2 ARG 1 -11.311 4.430 1.930
6 HG3 ARG 1 HG3 ARG 1 -11.646 3.307 3.251
7 HD2 ARG 1 HD2 ARG 1 -9.537 3.907 4.311
8 HD3 ARG 1 HD3 ARG 1 -9.177 5.018 2.988
9 HE ARG 1 HE ARG 1 -11.367 6.131 3.726
10 HH11 ARG 1 HH11 ARG 1 -9.104 4.560 5.905
11 HH12 ARG 1 HH12 ARG 1 -9.549 5.554 7.262
12 HH21 ARG 1 HH21 ARG 1 -11.956 7.404 5.498
13 HH22 ARG 1 HH22 ARG 1 -11.182 7.165 7.036
14 H ARG 2 HN ARG 2 -11.492 0.636 -1.121
15 HA ARG 2 HA ARG 2 -9.977 -1.683 -0.837
16 HB2 ARG 2 HB2 ARG 2 -10.344 -1.902 -3.356
17 HB3 ARG 2 HB3 ARG 2 -11.749 -1.861 -2.309
18 HG2 ARG 2 HG2 ARG 2 -12.333 -0.511 -4.111
19 HG3 ARG 2 HG3 ARG 2 -11.865 0.638 -2.861
20 HD2 ARG 2 HD2 ARG 2 -9.715 0.953 -3.889
21 HD3 ARG 2 HD3 ARG 2 -10.052 -0.315 -5.069
22 HE ARG 2 HE ARG 2 -11.963 1.839 -5.111
23 HH11 ARG 2 HH11 ARG 2 -8.891 0.720 -6.324
24 HH12 ARG 2 HH12 ARG 2 -8.946 1.700 -7.756
25 HH21 ARG 2 HH21 ARG 2 -12.050 3.143 -7.010
26 HH22 ARG 2 HH22 ARG 2 -10.709 3.105 -8.117
27 H TRP 3 HN TRP 3 -9.006 1.404 -2.089
28 HA TRP 3 HA TRP 3 -6.707 0.403 -3.456
29 HB2 TRP 3 HB2 TRP 3 -5.994 2.833 -3.468
30 HB3 TRP 3 HB3 TRP 3 -7.522 2.465 -4.258
31 HD1 TRP 3 HD1 TRP 3 -9.786 3.146 -2.828
32 HE1 TRP 3 HE1 TRP 3 -10.166 5.127 -1.229
33 HE3 TRP 3 HE3 TRP 3 -4.902 4.285 -1.821
34 HZ2 TRP 3 HZ2 TRP 3 -8.585 6.936 0.261
35 HZ3 TRP 3 HZ3 TRP 3 -4.421 6.165 -0.300
36 HH2 TRP 3 HH2 TRP 3 -6.224 7.462 0.717
37 H ARG 4 HN ARG 4 -7.307 1.456 -0.172
38 HA ARG 4 HA ARG 4 -4.628 1.766 0.634
39 HB2 ARG 4 HB2 ARG 4 -7.055 0.979 2.246
40 HB3 ARG 4 HB3 ARG 4 -5.478 1.315 2.950
41 HG2 ARG 4 HG2 ARG 4 -7.109 3.269 1.333
42 HG3 ARG 4 HG3 ARG 4 -6.999 3.235 3.093
43 HD2 ARG 4 HD2 ARG 4 -4.598 3.546 1.300
44 HD3 ARG 4 HD3 ARG 4 -5.513 4.914 1.918
45 HE ARG 4 HE ARG 4 -4.468 3.029 3.884
46 HH11 ARG 4 HH11 ARG 4 -4.182 6.095 2.239
47 HH12 ARG 4 HH12 ARG 4 -3.063 6.767 3.378
48 HH21 ARG 4 HH21 ARG 4 -2.965 3.906 5.410
49 HH22 ARG 4 HH22 ARG 4 -2.379 5.529 5.184
50 H ARG 5 HN ARG 5 -6.617 -1.027 0.175
51 HA ARG 5 HA ARG 5 -5.162 -3.034 1.415
52 HB2 ARG 5 HB2 ARG 5 -7.329 -3.320 0.240
53 HB3 ARG 5 HB3 ARG 5 -6.504 -3.118 -1.298
54 HG2 ARG 5 HG2 ARG 5 -5.209 -5.151 -0.859
55 HG3 ARG 5 HG3 ARG 5 -6.083 -5.363 0.666
56 HD2 ARG 5 HD2 ARG 5 -8.206 -5.396 -0.630
57 HD3 ARG 5 HD3 ARG 5 -7.255 -5.342 -2.111
58 HE ARG 5 HE ARG 5 -6.276 -7.517 -0.812
59 HH11 ARG 5 HH11 ARG 5 -9.454 -6.440 -1.751
60 HH12 ARG 5 HH12 ARG 5 -10.106 -8.036 -1.938
61 HH21 ARG 5 HH21 ARG 5 -7.079 -9.636 -1.061
62 HH22 ARG 5 HH22 ARG 5 -8.726 -9.877 -1.561
63 H TRP 6 HN TRP 6 -4.791 -1.802 -1.910
64 HA TRP 6 HA TRP 6 -2.385 -3.264 -2.388
65 HB2 TRP 6 HB2 TRP 6 -3.364 -0.851 -3.922
66 HB3 TRP 6 HB3 TRP 6 -2.296 -2.128 -4.495
67 HD1 TRP 6 HD1 TRP 6 -3.772 -4.721 -4.016
68 HE1 TRP 6 HE1 TRP 6 -6.069 -5.232 -5.033
69 HE3 TRP 6 HE3 TRP 6 -5.293 0.050 -4.946
70 HZ2 TRP 6 HZ2 TRP 6 -8.254 -3.788 -6.119
71 HZ3 TRP 6 HZ3 TRP 6 -7.495 0.406 -5.985
72 HH2 TRP 6 HH2 TRP 6 -8.943 -1.471 -6.557
73 H TRP 7 HN TRP 7 -3.176 -0.049 -1.276
74 HA TRP 7 HA TRP 7 -0.802 1.304 -1.338
75 HB2 TRP 7 HB2 TRP 7 -2.947 2.138 -0.415
76 HB3 TRP 7 HB3 TRP 7 -2.698 1.150 1.014
77 HD1 TRP 7 HD1 TRP 7 -0.732 1.948 2.720
78 HE1 TRP 7 HE1 TRP 7 0.238 4.301 3.147
79 HE3 TRP 7 HE3 TRP 7 -2.336 4.258 -1.532
80 HZ2 TRP 7 HZ2 TRP 7 0.304 6.797 1.850
81 HZ3 TRP 7 HZ3 TRP 7 -1.779 6.639 -1.873
82 HH2 TRP 7 HH2 TRP 7 -0.486 7.878 -0.216
83 H ARG 8 HN ARG 8 -1.740 -1.264 0.923
84 HA ARG 8 HA ARG 8 0.503 -1.108 2.626
85 HB2 ARG 8 HB2 ARG 8 -1.091 -3.591 1.966
86 HB3 ARG 8 HB3 ARG 8 -0.138 -3.306 3.411
87 HG2 ARG 8 HG2 ARG 8 -1.690 -1.609 4.150
88 HG3 ARG 8 HG3 ARG 8 -2.606 -1.759 2.647
89 HD2 ARG 8 HD2 ARG 8 -2.937 -4.196 3.251
90 HD3 ARG 8 HD3 ARG 8 -2.301 -3.795 4.846
91 HE ARG 8 HE ARG 8 -4.242 -2.030 4.719
92 HH11 ARG 8 HH11 ARG 8 -4.250 -5.380 3.707
93 HH12 ARG 8 HH12 ARG 8 -5.970 -5.575 3.892
94 HH21 ARG 8 HH21 ARG 8 -6.498 -2.274 4.988
95 HH22 ARG 8 HH22 ARG 8 -7.256 -3.797 4.608
96 H ARG 9 HN ARG 9 -0.080 -2.754 -0.397
97 HA ARG 9 HA ARG 9 2.263 -4.373 -0.410
98 HB2 ARG 9 HB2 ARG 9 0.198 -4.745 -1.795
99 HB3 ARG 9 HB3 ARG 9 0.656 -3.350 -2.762
100 HG2 ARG 9 HG2 ARG 9 2.757 -4.513 -3.355
101 HG3 ARG 9 HG3 ARG 9 2.157 -5.943 -2.501
102 HD2 ARG 9 HD2 ARG 9 0.091 -5.733 -3.989
103 HD3 ARG 9 HD3 ARG 9 1.049 -4.619 -4.959
104 HE ARG 9 HE ARG 9 2.448 -7.062 -4.542
105 HH11 ARG 9 HH11 ARG 9 -0.066 -5.543 -6.450
106 HH12 ARG 9 HH12 ARG 9 -0.033 -6.754 -7.701
107 HH21 ARG 9 HH21 ARG 9 2.528 -8.647 -6.212
108 HH22 ARG 9 HH22 ARG 9 1.459 -8.494 -7.578
109 H TRP 10 HN TRP 10 1.378 -1.303 -1.946
110 HA TRP 10 HA TRP 10 3.809 -0.633 -3.111
111 HB2 TRP 10 HB2 TRP 10 2.121 0.800 -3.740
112 HB3 TRP 10 HB3 TRP 10 1.434 0.869 -2.119
113 HD1 TRP 10 HD1 TRP 10 2.034 2.922 -0.679
114 HE1 TRP 10 HE1 TRP 10 3.549 4.980 -0.990
115 HE3 TRP 10 HE3 TRP 10 4.492 1.476 -4.913
116 HZ2 TRP 10 HZ2 TRP 10 5.536 5.859 -2.785
117 HZ3 TRP 10 HZ3 TRP 10 6.182 2.984 -5.872
118 HH2 TRP 10 HH2 TRP 10 6.691 5.135 -4.829
119 H TRP 11 HN TRP 11 2.627 0.010 0.153
120 HA TRP 11 HA TRP 11 4.752 1.533 1.115
121 HB2 TRP 11 HB2 TRP 11 2.371 0.636 2.109
122 HB3 TRP 11 HB3 TRP 11 3.513 -0.323 3.044
123 HD1 TRP 11 HD1 TRP 11 1.825 2.930 3.067
124 HE1 TRP 11 HE1 TRP 11 2.900 4.515 4.796
125 HE3 TRP 11 HE3 TRP 11 6.118 0.322 3.971
126 HZ2 TRP 11 HZ2 TRP 11 5.269 4.625 6.341
127 HZ3 TRP 11 HZ3 TRP 11 7.740 1.222 5.594
128 HH2 TRP 11 HH2 TRP 11 7.322 3.335 6.753
129 H ARG 12 HN ARG 12 4.229 -1.974 1.448
130 HA ARG 12 HA ARG 12 6.623 -2.402 2.887
131 HB2 ARG 12 HB2 ARG 12 6.223 -4.794 2.530
132 HB3 ARG 12 HB3 ARG 12 4.775 -3.958 3.071
133 HG2 ARG 12 HG2 ARG 12 3.890 -3.971 0.814
134 HG3 ARG 12 HG3 ARG 12 5.370 -4.734 0.221
135 HD2 ARG 12 HD2 ARG 12 3.528 -6.350 0.547
136 HD3 ARG 12 HD3 ARG 12 4.938 -6.704 1.546
137 HE ARG 12 HE ARG 12 3.040 -5.106 2.939
138 HH11 ARG 12 HH11 ARG 12 3.715 -8.373 1.903
139 HH12 ARG 12 HH12 ARG 12 2.848 -9.113 3.220
140 HH21 ARG 12 HH21 ARG 12 1.894 -6.056 4.668
141 HH22 ARG 12 HH22 ARG 12 1.805 -7.784 4.805
142 H ARG 13 HN ARG 13 5.889 -2.477 -0.553
143 HA ARG 13 HA ARG 13 8.359 -3.719 -1.289
144 HB2 ARG 13 HB2 ARG 13 6.260 -2.234 -2.843
145 HB3 ARG 13 HB3 ARG 13 7.752 -2.774 -3.598
146 HG2 ARG 13 HG2 ARG 13 5.668 -4.518 -2.295
147 HG3 ARG 13 HG3 ARG 13 5.991 -4.363 -4.021
148 HD2 ARG 13 HD2 ARG 13 7.766 -5.560 -1.907
149 HD3 ARG 13 HD3 ARG 13 7.024 -6.374 -3.282
150 HE ARG 13 HE ARG 13 8.529 -4.779 -4.645
151 HH11 ARG 13 HH11 ARG 13 9.349 -6.230 -1.557
152 HH12 ARG 13 HH12 ARG 13 11.065 -6.125 -1.817
153 HH21 ARG 13 HH21 ARG 13 10.795 -4.691 -5.005
154 HH22 ARG 13 HH22 ARG 13 11.876 -5.284 -3.784
155 H TRP 14 HN TRP 14 7.207 -0.375 -1.761
156 HA TRP 14 HA TRP 14 9.759 0.400 -2.781
157 HB2 TRP 14 HB2 TRP 14 7.506 1.324 -3.476
158 HB3 TRP 14 HB3 TRP 14 7.526 2.250 -1.980
159 HD1 TRP 14 HD1 TRP 14 9.302 1.988 -5.356
160 HE1 TRP 14 HE1 TRP 14 10.556 4.183 -5.820
161 HE3 TRP 14 HE3 TRP 14 8.581 4.297 -0.852
162 HZ2 TRP 14 HZ2 TRP 14 11.159 6.578 -4.454
163 HZ3 TRP 14 HZ3 TRP 14 9.523 6.543 -0.516
164 HH2 TRP 14 HH2 TRP 14 10.787 7.662 -2.282
165 H ARG 15 HN ARG 15 8.005 1.149 0.216
166 HA ARG 15 HA ARG 15 9.902 3.129 0.988
167 HB2 ARG 15 HB2 ARG 15 7.480 1.936 2.248
168 HB3 ARG 15 HB3 ARG 15 8.593 2.853 3.254
169 HG2 ARG 15 HG2 ARG 15 7.005 4.412 2.581
170 HG3 ARG 15 HG3 ARG 15 8.375 4.699 1.513
171 HD2 ARG 15 HD2 ARG 15 7.257 3.318 -0.218
172 HD3 ARG 15 HD3 ARG 15 5.857 3.177 0.845
173 HE ARG 15 HE ARG 15 6.550 5.402 -0.802
174 HH11 ARG 15 HH11 ARG 15 4.987 4.523 2.203
175 HH12 ARG 15 HH12 ARG 15 4.088 6.003 2.320
176 HH21 ARG 15 HH21 ARG 15 5.366 7.330 -0.679
177 HH22 ARG 15 HH22 ARG 15 4.276 7.591 0.654
178 H ARG 16 HN ARG 16 9.634 -0.285 1.678
179 HA ARG 16 HA ARG 16 11.262 -0.056 4.061
180 HB2 ARG 16 HB2 ARG 16 10.241 -2.532 2.670
181 HB3 ARG 16 HB3 ARG 16 10.984 -2.472 4.261
182 HG2 ARG 16 HG2 ARG 16 9.091 -0.926 4.937
183 HG3 ARG 16 HG3 ARG 16 8.315 -1.381 3.419
184 HD2 ARG 16 HD2 ARG 16 7.455 -2.794 5.149
185 HD3 ARG 16 HD3 ARG 16 8.505 -3.765 4.116
186 HE ARG 16 HE ARG 16 9.818 -2.635 6.426
187 HH11 ARG 16 HH11 ARG 16 8.005 -5.358 5.180
188 HH12 ARG 16 HH12 ARG 16 8.597 -6.466 6.378
189 HH21 ARG 16 HH21 ARG 16 10.598 -4.094 7.996
190 HH22 ARG 16 HH22 ARG 16 10.040 -5.738 7.993
Start of MODEL 9
1 H ARG 1 HN ARG 1 -13.158 0.230 2.107
2 HA ARG 1 HA ARG 1 -11.154 2.130 1.264
3 HB2 ARG 1 HB2 ARG 1 -9.841 1.151 3.117
4 HB3 ARG 1 HB3 ARG 1 -11.448 1.667 3.624
5 HG2 ARG 1 HG2 ARG 1 -12.228 -0.656 3.458
6 HG3 ARG 1 HG3 ARG 1 -10.594 -1.158 3.013
7 HD2 ARG 1 HD2 ARG 1 -9.766 -0.338 5.173
8 HD3 ARG 1 HD3 ARG 1 -11.407 0.148 5.608
9 HE ARG 1 HE ARG 1 -11.516 -2.534 4.908
10 HH11 ARG 1 HH11 ARG 1 -10.076 -0.550 7.416
11 HH12 ARG 1 HH12 ARG 1 -10.033 -1.845 8.581
12 HH21 ARG 1 HH21 ARG 1 -11.455 -4.217 6.411
13 HH22 ARG 1 HH22 ARG 1 -10.830 -3.943 8.005
14 H ARG 2 HN ARG 2 -11.794 0.333 -0.782
15 HA ARG 2 HA ARG 2 -10.241 -1.945 -1.040
16 HB2 ARG 2 HB2 ARG 2 -10.383 -1.336 -3.585
17 HB3 ARG 2 HB3 ARG 2 -11.823 -1.794 -2.696
18 HG2 ARG 2 HG2 ARG 2 -12.458 0.051 -3.999
19 HG3 ARG 2 HG3 ARG 2 -12.241 0.696 -2.377
20 HD2 ARG 2 HD2 ARG 2 -9.951 1.431 -3.054
21 HD3 ARG 2 HD3 ARG 2 -10.337 0.933 -4.701
22 HE ARG 2 HE ARG 2 -12.381 2.620 -3.921
23 HH11 ARG 2 HH11 ARG 2 -8.910 2.877 -4.365
24 HH12 ARG 2 HH12 ARG 2 -8.955 4.574 -4.708
25 HH21 ARG 2 HH21 ARG 2 -12.440 4.833 -4.371
26 HH22 ARG 2 HH22 ARG 2 -10.972 5.693 -4.726
27 H TRP 3 HN TRP 3 -9.281 1.354 -1.333
28 HA TRP 3 HA TRP 3 -6.980 0.960 -2.933
29 HB2 TRP 3 HB2 TRP 3 -6.346 3.257 -2.124
30 HB3 TRP 3 HB3 TRP 3 -7.927 3.142 -2.885
31 HD1 TRP 3 HD1 TRP 3 -10.079 3.140 -1.114
32 HE1 TRP 3 HE1 TRP 3 -10.343 4.402 1.119
33 HE3 TRP 3 HE3 TRP 3 -5.157 4.128 -0.164
34 HZ2 TRP 3 HZ2 TRP 3 -8.678 5.663 3.013
35 HZ3 TRP 3 HZ3 TRP 3 -4.580 5.371 1.877
36 HH2 TRP 3 HH2 TRP 3 -6.302 6.123 3.429
37 H ARG 4 HN ARG 4 -7.541 0.685 0.492
38 HA ARG 4 HA ARG 4 -4.948 1.075 1.456
39 HB2 ARG 4 HB2 ARG 4 -7.235 -0.562 2.510
40 HB3 ARG 4 HB3 ARG 4 -5.708 -0.431 3.362
41 HG2 ARG 4 HG2 ARG 4 -7.401 1.917 2.584
42 HG3 ARG 4 HG3 ARG 4 -7.519 1.089 4.137
43 HD2 ARG 4 HD2 ARG 4 -5.005 1.544 4.355
44 HD3 ARG 4 HD3 ARG 4 -5.221 2.682 3.023
45 HE ARG 4 HE ARG 4 -7.185 3.214 4.923
46 HH11 ARG 4 HH11 ARG 4 -3.711 3.407 4.604
47 HH12 ARG 4 HH12 ARG 4 -3.529 4.682 5.770
48 HH21 ARG 4 HH21 ARG 4 -6.965 4.900 6.455
49 HH22 ARG 4 HH22 ARG 4 -5.387 5.519 6.849
50 H ARG 5 HN ARG 5 -6.381 -1.693 -0.083
51 HA ARG 5 HA ARG 5 -4.563 -3.683 0.647
52 HB2 ARG 5 HB2 ARG 5 -6.156 -3.275 -1.877
53 HB3 ARG 5 HB3 ARG 5 -5.155 -4.696 -1.614
54 HG2 ARG 5 HG2 ARG 5 -6.461 -5.194 0.421
55 HG3 ARG 5 HG3 ARG 5 -7.510 -3.825 0.048
56 HD2 ARG 5 HD2 ARG 5 -8.220 -4.853 -2.005
57 HD3 ARG 5 HD3 ARG 5 -7.037 -6.148 -1.812
58 HE ARG 5 HE ARG 5 -8.583 -6.294 0.438
59 HH11 ARG 5 HH11 ARG 5 -9.221 -6.377 -3.004
60 HH12 ARG 5 HH12 ARG 5 -10.604 -7.415 -2.853
61 HH21 ARG 5 HH21 ARG 5 -10.393 -7.654 0.646
62 HH22 ARG 5 HH22 ARG 5 -11.271 -8.155 -0.766
63 H TRP 6 HN TRP 6 -4.521 -1.672 -2.280
64 HA TRP 6 HA TRP 6 -1.944 -2.594 -3.093
65 HB2 TRP 6 HB2 TRP 6 -3.204 -0.035 -4.063
66 HB3 TRP 6 HB3 TRP 6 -2.220 -1.194 -4.957
67 HD1 TRP 6 HD1 TRP 6 -3.663 -3.839 -4.774
68 HE1 TRP 6 HE1 TRP 6 -6.062 -4.192 -5.606
69 HE3 TRP 6 HE3 TRP 6 -5.264 1.021 -4.733
70 HZ2 TRP 6 HZ2 TRP 6 -8.336 -2.625 -6.195
71 HZ3 TRP 6 HZ3 TRP 6 -7.565 1.504 -5.453
72 HH2 TRP 6 HH2 TRP 6 -9.067 -0.280 -6.170
73 H TRP 7 HN TRP 7 -3.229 0.094 -1.331
74 HA TRP 7 HA TRP 7 -1.149 1.843 -1.052
75 HB2 TRP 7 HB2 TRP 7 -3.304 2.288 -0.118
76 HB3 TRP 7 HB3 TRP 7 -3.222 0.875 0.921
77 HD1 TRP 7 HD1 TRP 7 -1.729 1.086 3.145
78 HE1 TRP 7 HE1 TRP 7 -1.039 3.151 4.513
79 HE3 TRP 7 HE3 TRP 7 -2.609 4.696 -0.351
80 HZ2 TRP 7 HZ2 TRP 7 -0.901 5.942 4.153
81 HZ3 TRP 7 HZ3 TRP 7 -2.175 7.039 0.241
82 HH2 TRP 7 HH2 TRP 7 -1.338 7.648 2.446
83 H ARG 8 HN ARG 8 -1.737 -1.013 1.050
84 HA ARG 8 HA ARG 8 0.694 -0.571 2.467
85 HB2 ARG 8 HB2 ARG 8 0.245 -2.644 3.627
86 HB3 ARG 8 HB3 ARG 8 -1.227 -1.696 3.513
87 HG2 ARG 8 HG2 ARG 8 -2.102 -3.116 1.810
88 HG3 ARG 8 HG3 ARG 8 -0.559 -3.965 1.655
89 HD2 ARG 8 HD2 ARG 8 -2.121 -5.305 2.948
90 HD3 ARG 8 HD3 ARG 8 -0.789 -4.772 3.970
91 HE ARG 8 HE ARG 8 -3.165 -3.110 4.044
92 HH11 ARG 8 HH11 ARG 8 -1.385 -5.749 5.521
93 HH12 ARG 8 HH12 ARG 8 -2.208 -5.621 7.038
94 HH21 ARG 8 HH21 ARG 8 -4.247 -2.951 6.057
95 HH22 ARG 8 HH22 ARG 8 -3.836 -4.048 7.347
96 H ARG 9 HN ARG 9 -0.206 -2.527 -0.298
97 HA ARG 9 HA ARG 9 2.060 -4.186 -0.373
98 HB2 ARG 9 HB2 ARG 9 0.219 -3.216 -2.530
99 HB3 ARG 9 HB3 ARG 9 1.559 -4.296 -2.868
100 HG2 ARG 9 HG2 ARG 9 0.622 -5.952 -1.346
101 HG3 ARG 9 HG3 ARG 9 -0.717 -4.860 -0.982
102 HD2 ARG 9 HD2 ARG 9 -1.331 -6.576 -2.638
103 HD3 ARG 9 HD3 ARG 9 -1.453 -4.939 -3.285
104 HE ARG 9 HE ARG 9 0.832 -5.432 -4.288
105 HH11 ARG 9 HH11 ARG 9 -1.497 -7.961 -3.642
106 HH12 ARG 9 HH12 ARG 9 -0.986 -8.954 -4.972
107 HH21 ARG 9 HH21 ARG 9 1.574 -6.762 -5.993
108 HH22 ARG 9 HH22 ARG 9 0.796 -8.298 -6.290
109 H TRP 10 HN TRP 10 1.410 -1.152 -2.097
110 HA TRP 10 HA TRP 10 3.956 -0.860 -3.236
111 HB2 TRP 10 HB2 TRP 10 2.438 0.557 -4.211
112 HB3 TRP 10 HB3 TRP 10 1.626 0.905 -2.690
113 HD1 TRP 10 HD1 TRP 10 2.236 3.104 -1.502
114 HE1 TRP 10 HE1 TRP 10 3.894 5.013 -1.941
115 HE3 TRP 10 HE3 TRP 10 4.919 0.963 -5.287
116 HZ2 TRP 10 HZ2 TRP 10 6.083 5.531 -3.651
117 HZ3 TRP 10 HZ3 TRP 10 6.782 2.231 -6.273
118 HH2 TRP 10 HH2 TRP 10 7.350 4.474 -5.475
119 H TRP 11 HN TRP 11 2.635 0.202 -0.152
120 HA TRP 11 HA TRP 11 4.759 1.834 0.666
121 HB2 TRP 11 HB2 TRP 11 2.308 1.184 1.672
122 HB3 TRP 11 HB3 TRP 11 3.376 0.354 2.797
123 HD1 TRP 11 HD1 TRP 11 1.833 3.632 2.217
124 HE1 TRP 11 HE1 TRP 11 2.924 5.441 3.694
125 HE3 TRP 11 HE3 TRP 11 5.975 1.061 3.729
126 HZ2 TRP 11 HZ2 TRP 11 5.231 5.733 5.296
127 HZ3 TRP 11 HZ3 TRP 11 7.580 2.173 5.236
128 HH2 TRP 11 HH2 TRP 11 7.216 4.462 5.998
129 H ARG 12 HN ARG 12 4.092 -1.562 1.497
130 HA ARG 12 HA ARG 12 6.430 -1.762 3.116
131 HB2 ARG 12 HB2 ARG 12 4.597 -3.917 2.062
132 HB3 ARG 12 HB3 ARG 12 5.855 -4.164 3.269
133 HG2 ARG 12 HG2 ARG 12 3.508 -2.303 3.584
134 HG3 ARG 12 HG3 ARG 12 3.614 -3.935 4.252
135 HD2 ARG 12 HD2 ARG 12 5.352 -3.338 5.719
136 HD3 ARG 12 HD3 ARG 12 5.681 -1.839 4.852
137 HE ARG 12 HE ARG 12 3.463 -1.069 5.695
138 HH11 ARG 12 HH11 ARG 12 5.214 -3.586 7.408
139 HH12 ARG 12 HH12 ARG 12 4.497 -3.197 8.944
140 HH21 ARG 12 HH21 ARG 12 2.522 -0.569 7.694
141 HH22 ARG 12 HH22 ARG 12 2.949 -1.480 9.114
142 H ARG 13 HN ARG 13 5.737 -2.543 -0.228
143 HA ARG 13 HA ARG 13 8.100 -4.092 -0.598
144 HB2 ARG 13 HB2 ARG 13 6.095 -2.879 -2.451
145 HB3 ARG 13 HB3 ARG 13 7.592 -3.551 -3.082
146 HG2 ARG 13 HG2 ARG 13 5.611 -5.060 -1.386
147 HG3 ARG 13 HG3 ARG 13 5.709 -5.146 -3.144
148 HD2 ARG 13 HD2 ARG 13 7.953 -5.872 -1.253
149 HD3 ARG 13 HD3 ARG 13 6.860 -7.032 -2.009
150 HE ARG 13 HE ARG 13 7.776 -6.282 -4.169
151 HH11 ARG 13 HH11 ARG 13 9.649 -5.669 -1.260
152 HH12 ARG 13 HH12 ARG 13 11.166 -5.587 -2.119
153 HH21 ARG 13 HH21 ARG 13 9.739 -6.136 -5.275
154 HH22 ARG 13 HH22 ARG 13 11.208 -5.819 -4.401
155 H TRP 14 HN TRP 14 7.258 -0.801 -1.716
156 HA TRP 14 HA TRP 14 9.920 -0.388 -2.680
157 HB2 TRP 14 HB2 TRP 14 7.805 0.612 -3.671
158 HB3 TRP 14 HB3 TRP 14 7.838 1.749 -2.327
159 HD1 TRP 14 HD1 TRP 14 9.830 0.774 -5.449
160 HE1 TRP 14 HE1 TRP 14 11.318 2.759 -6.138
161 HE3 TRP 14 HE3 TRP 14 8.953 3.849 -1.459
162 HZ2 TRP 14 HZ2 TRP 14 12.022 5.298 -5.111
163 HZ3 TRP 14 HZ3 TRP 14 10.075 6.039 -1.388
164 HH2 TRP 14 HH2 TRP 14 11.578 6.745 -3.180
165 H ARG 15 HN ARG 15 8.042 1.101 -0.037
166 HA ARG 15 HA ARG 15 10.136 2.905 0.597
167 HB2 ARG 15 HB2 ARG 15 7.519 2.238 1.848
168 HB3 ARG 15 HB3 ARG 15 8.694 3.152 2.778
169 HG2 ARG 15 HG2 ARG 15 7.409 4.808 1.805
170 HG3 ARG 15 HG3 ARG 15 8.794 4.700 0.720
171 HD2 ARG 15 HD2 ARG 15 7.476 3.275 -0.791
172 HD3 ARG 15 HD3 ARG 15 6.089 3.430 0.287
173 HE ARG 15 HE ARG 15 7.078 5.402 -1.584
174 HH11 ARG 15 HH11 ARG 15 5.115 4.843 1.254
175 HH12 ARG 15 HH12 ARG 15 4.194 6.292 1.058
176 HH21 ARG 15 HH21 ARG 15 5.847 7.316 -1.843
177 HH22 ARG 15 HH22 ARG 15 4.609 7.703 -0.688
178 H ARG 16 HN ARG 16 9.057 -0.099 2.160
179 HA ARG 16 HA ARG 16 11.116 0.231 4.189
180 HB2 ARG 16 HB2 ARG 16 8.910 -1.790 3.833
181 HB3 ARG 16 HB3 ARG 16 10.155 -1.957 5.063
182 HG2 ARG 16 HG2 ARG 16 8.109 0.233 4.810
183 HG3 ARG 16 HG3 ARG 16 8.244 -0.983 6.084
184 HD2 ARG 16 HD2 ARG 16 10.182 1.256 5.506
185 HD3 ARG 16 HD3 ARG 16 9.092 1.133 6.887
186 HE ARG 16 HE ARG 16 10.575 -1.123 7.087
187 HH11 ARG 16 HH11 ARG 16 11.385 2.273 6.770
188 HH12 ARG 16 HH12 ARG 16 12.913 2.122 7.580
189 HH21 ARG 16 HH21 ARG 16 12.599 -1.323 8.151
190 HH22 ARG 16 HH22 ARG 16 13.584 0.087 8.383
Start of MODEL 10
1 H ARG 1 HN ARG 1 -13.140 -0.434 0.834
2 HA ARG 1 HA ARG 1 -10.743 1.068 1.673
3 HB2 ARG 1 HB2 ARG 1 -11.929 -1.410 2.933
4 HB3 ARG 1 HB3 ARG 1 -10.379 -0.716 3.381
5 HG2 ARG 1 HG2 ARG 1 -13.036 0.682 3.623
6 HG3 ARG 1 HG3 ARG 1 -12.182 -0.124 4.941
7 HD2 ARG 1 HD2 ARG 1 -10.306 1.415 4.671
8 HD3 ARG 1 HD3 ARG 1 -11.135 2.205 3.332
9 HE ARG 1 HE ARG 1 -12.694 3.111 4.876
10 HH11 ARG 1 HH11 ARG 1 -10.116 1.307 6.395
11 HH12 ARG 1 HH12 ARG 1 -10.322 2.066 7.946
12 HH21 ARG 1 HH21 ARG 1 -12.974 4.131 6.912
13 HH22 ARG 1 HH22 ARG 1 -11.941 3.683 8.237
14 H ARG 2 HN ARG 2 -11.678 -0.497 -0.800
15 HA ARG 2 HA ARG 2 -10.088 -2.813 -1.060
16 HB2 ARG 2 HB2 ARG 2 -11.150 -0.956 -3.187
17 HB3 ARG 2 HB3 ARG 2 -10.484 -2.551 -3.490
18 HG2 ARG 2 HG2 ARG 2 -12.688 -2.454 -1.543
19 HG3 ARG 2 HG3 ARG 2 -13.112 -2.035 -3.204
20 HD2 ARG 2 HD2 ARG 2 -13.453 -4.352 -3.039
21 HD3 ARG 2 HD3 ARG 2 -11.925 -4.165 -3.889
22 HE ARG 2 HE ARG 2 -12.036 -4.758 -1.002
23 HH11 ARG 2 HH11 ARG 2 -10.824 -5.402 -4.222
24 HH12 ARG 2 HH12 ARG 2 -9.844 -6.753 -3.729
25 HH21 ARG 2 HH21 ARG 2 -10.742 -6.500 -0.336
26 HH22 ARG 2 HH22 ARG 2 -9.774 -7.363 -1.496
27 H TRP 3 HN TRP 3 -9.466 0.549 -1.652
28 HA TRP 3 HA TRP 3 -7.172 0.221 -3.297
29 HB2 TRP 3 HB2 TRP 3 -6.895 2.694 -2.912
30 HB3 TRP 3 HB3 TRP 3 -8.475 2.224 -3.534
31 HD1 TRP 3 HD1 TRP 3 -10.575 2.528 -1.899
32 HE1 TRP 3 HE1 TRP 3 -10.894 3.846 0.292
33 HE3 TRP 3 HE3 TRP 3 -5.676 3.484 -0.817
34 HZ2 TRP 3 HZ2 TRP 3 -9.272 5.130 2.214
35 HZ3 TRP 3 HZ3 TRP 3 -5.144 4.760 1.214
36 HH2 TRP 3 HH2 TRP 3 -6.903 5.555 2.705
37 H ARG 4 HN ARG 4 -7.642 0.499 0.155
38 HA ARG 4 HA ARG 4 -5.087 1.402 0.856
39 HB2 ARG 4 HB2 ARG 4 -7.101 1.471 2.324
40 HB3 ARG 4 HB3 ARG 4 -6.981 -0.273 2.506
41 HG2 ARG 4 HG2 ARG 4 -6.050 0.783 4.428
42 HG3 ARG 4 HG3 ARG 4 -4.755 0.019 3.514
43 HD2 ARG 4 HD2 ARG 4 -3.841 2.086 4.086
44 HD3 ARG 4 HD3 ARG 4 -4.443 2.356 2.452
45 HE ARG 4 HE ARG 4 -6.525 3.152 3.931
46 HH11 ARG 4 HH11 ARG 4 -3.118 3.870 4.165
47 HH12 ARG 4 HH12 ARG 4 -3.358 5.446 4.856
48 HH21 ARG 4 HH21 ARG 4 -6.861 5.238 4.832
49 HH22 ARG 4 HH22 ARG 4 -5.484 6.229 5.206
50 H ARG 5 HN ARG 5 -6.354 -1.730 0.099
51 HA ARG 5 HA ARG 5 -4.308 -3.380 1.027
52 HB2 ARG 5 HB2 ARG 5 -6.310 -4.365 0.203
53 HB3 ARG 5 HB3 ARG 5 -6.130 -3.593 -1.364
54 HG2 ARG 5 HG2 ARG 5 -4.129 -4.967 -1.779
55 HG3 ARG 5 HG3 ARG 5 -4.403 -5.783 -0.239
56 HD2 ARG 5 HD2 ARG 5 -5.262 -7.020 -2.229
57 HD3 ARG 5 HD3 ARG 5 -6.481 -6.680 -1.001
58 HE ARG 5 HE ARG 5 -7.031 -4.697 -2.514
59 HH11 ARG 5 HH11 ARG 5 -5.758 -7.720 -3.702
60 HH12 ARG 5 HH12 ARG 5 -6.621 -7.640 -5.203
61 HH21 ARG 5 HH21 ARG 5 -8.161 -4.571 -4.496
62 HH22 ARG 5 HH22 ARG 5 -8.003 -5.863 -5.652
63 H TRP 6 HN TRP 6 -4.542 -1.541 -2.010
64 HA TRP 6 HA TRP 6 -2.052 -2.527 -3.046
65 HB2 TRP 6 HB2 TRP 6 -3.564 -0.014 -3.805
66 HB3 TRP 6 HB3 TRP 6 -2.283 -0.778 -4.738
67 HD1 TRP 6 HD1 TRP 6 -3.227 -3.759 -4.805
68 HE1 TRP 6 HE1 TRP 6 -5.363 -4.428 -6.058
69 HE3 TRP 6 HE3 TRP 6 -5.571 0.786 -4.914
70 HZ2 TRP 6 HZ2 TRP 6 -7.737 -3.196 -6.985
71 HZ3 TRP 6 HZ3 TRP 6 -7.769 0.956 -6.004
72 HH2 TRP 6 HH2 TRP 6 -8.828 -0.997 -7.020
73 H TRP 7 HN TRP 7 -3.138 0.235 -1.241
74 HA TRP 7 HA TRP 7 -0.910 1.847 -1.134
75 HB2 TRP 7 HB2 TRP 7 -2.990 2.544 -0.199
76 HB3 TRP 7 HB3 TRP 7 -3.012 1.198 0.930
77 HD1 TRP 7 HD1 TRP 7 -1.383 1.387 3.091
78 HE1 TRP 7 HE1 TRP 7 -0.448 3.455 4.299
79 HE3 TRP 7 HE3 TRP 7 -2.112 4.873 -0.577
80 HZ2 TRP 7 HZ2 TRP 7 -0.080 6.189 3.771
81 HZ3 TRP 7 HZ3 TRP 7 -1.441 7.192 -0.145
82 HH2 TRP 7 HH2 TRP 7 -0.439 7.840 1.996
83 H ARG 8 HN ARG 8 -1.697 -0.826 1.112
84 HA ARG 8 HA ARG 8 0.697 -0.553 2.595
85 HB2 ARG 8 HB2 ARG 8 0.131 -2.761 3.562
86 HB3 ARG 8 HB3 ARG 8 -1.197 -1.614 3.626
87 HG2 ARG 8 HG2 ARG 8 -2.261 -2.692 1.743
88 HG3 ARG 8 HG3 ARG 8 -0.904 -3.806 1.586
89 HD2 ARG 8 HD2 ARG 8 -2.803 -4.841 2.737
90 HD3 ARG 8 HD3 ARG 8 -1.386 -4.735 3.781
91 HE ARG 8 HE ARG 8 -3.222 -2.529 4.060
92 HH11 ARG 8 HH11 ARG 8 -2.464 -5.771 5.116
93 HH12 ARG 8 HH12 ARG 8 -3.245 -5.602 6.654
94 HH21 ARG 8 HH21 ARG 8 -4.275 -2.299 6.102
95 HH22 ARG 8 HH22 ARG 8 -4.296 -3.645 7.203
96 H ARG 9 HN ARG 9 -0.102 -2.379 -0.281
97 HA ARG 9 HA ARG 9 2.191 -4.056 -0.255
98 HB2 ARG 9 HB2 ARG 9 0.085 -4.375 -1.652
99 HB3 ARG 9 HB3 ARG 9 0.704 -3.120 -2.716
100 HG2 ARG 9 HG2 ARG 9 2.675 -4.468 -3.186
101 HG3 ARG 9 HG3 ARG 9 2.088 -5.721 -2.090
102 HD2 ARG 9 HD2 ARG 9 0.017 -5.831 -3.552
103 HD3 ARG 9 HD3 ARG 9 0.902 -4.838 -4.712
104 HE ARG 9 HE ARG 9 2.561 -6.951 -4.118
105 HH11 ARG 9 HH11 ARG 9 -0.633 -6.564 -5.491
106 HH12 ARG 9 HH12 ARG 9 -0.557 -8.031 -6.417
107 HH21 ARG 9 HH21 ARG 9 2.668 -8.889 -5.294
108 HH22 ARG 9 HH22 ARG 9 1.302 -9.388 -6.257
109 H TRP 10 HN TRP 10 1.451 -1.011 -1.925
110 HA TRP 10 HA TRP 10 3.922 -0.495 -3.075
111 HB2 TRP 10 HB2 TRP 10 2.365 1.018 -3.781
112 HB3 TRP 10 HB3 TRP 10 1.572 1.081 -2.213
113 HD1 TRP 10 HD1 TRP 10 2.166 3.040 -0.644
114 HE1 TRP 10 HE1 TRP 10 3.655 5.119 -0.843
115 HE3 TRP 10 HE3 TRP 10 4.690 1.830 -4.929
116 HZ2 TRP 10 HZ2 TRP 10 5.640 6.115 -2.568
117 HZ3 TRP 10 HZ3 TRP 10 6.363 3.417 -5.792
118 HH2 TRP 10 HH2 TRP 10 6.826 5.516 -4.636
119 H TRP 11 HN TRP 11 2.754 0.253 0.158
120 HA TRP 11 HA TRP 11 4.967 1.666 1.110
121 HB2 TRP 11 HB2 TRP 11 2.595 1.201 2.117
122 HB3 TRP 11 HB3 TRP 11 3.357 -0.213 2.829
123 HD1 TRP 11 HD1 TRP 11 2.369 3.062 3.792
124 HE1 TRP 11 HE1 TRP 11 3.739 3.972 5.772
125 HE3 TRP 11 HE3 TRP 11 6.340 -0.152 3.601
126 HZ2 TRP 11 HZ2 TRP 11 6.163 3.420 7.071
127 HZ3 TRP 11 HZ3 TRP 11 8.147 0.109 5.260
128 HH2 TRP 11 HH2 TRP 11 8.061 1.865 6.956
129 H ARG 12 HN ARG 12 4.172 -1.774 1.665
130 HA ARG 12 HA ARG 12 6.558 -2.282 3.084
131 HB2 ARG 12 HB2 ARG 12 4.677 -4.227 1.744
132 HB3 ARG 12 HB3 ARG 12 5.937 -4.668 2.890
133 HG2 ARG 12 HG2 ARG 12 3.627 -2.828 3.497
134 HG3 ARG 12 HG3 ARG 12 3.692 -4.542 3.915
135 HD2 ARG 12 HD2 ARG 12 5.325 -4.218 5.524
136 HD3 ARG 12 HD3 ARG 12 5.887 -2.715 4.799
137 HE ARG 12 HE ARG 12 3.482 -1.969 5.569
138 HH11 ARG 12 HH11 ARG 12 5.786 -3.937 7.320
139 HH12 ARG 12 HH12 ARG 12 5.283 -3.355 8.878
140 HH21 ARG 12 HH21 ARG 12 2.837 -1.196 7.598
141 HH22 ARG 12 HH22 ARG 12 3.636 -1.758 9.029
142 H ARG 13 HN ARG 13 5.747 -2.639 -0.321
143 HA ARG 13 HA ARG 13 8.147 -4.072 -0.951
144 HB2 ARG 13 HB2 ARG 13 6.053 -2.719 -2.622
145 HB3 ARG 13 HB3 ARG 13 7.519 -3.371 -3.338
146 HG2 ARG 13 HG2 ARG 13 6.974 -5.580 -2.486
147 HG3 ARG 13 HG3 ARG 13 5.512 -4.938 -1.736
148 HD2 ARG 13 HD2 ARG 13 5.168 -6.095 -3.934
149 HD3 ARG 13 HD3 ARG 13 4.543 -4.450 -3.851
150 HE ARG 13 HE ARG 13 6.264 -3.740 -5.291
151 HH11 ARG 13 HH11 ARG 13 6.467 -7.178 -4.645
152 HH12 ARG 13 HH12 ARG 13 7.405 -7.509 -6.074
153 HH21 ARG 13 HH21 ARG 13 7.531 -4.185 -7.153
154 HH22 ARG 13 HH22 ARG 13 8.004 -5.821 -7.480
155 H TRP 14 HN TRP 14 7.078 -0.778 -1.788
156 HA TRP 14 HA TRP 14 9.657 -0.160 -2.839
157 HB2 TRP 14 HB2 TRP 14 7.346 0.715 -3.588
158 HB3 TRP 14 HB3 TRP 14 7.554 1.889 -2.292
159 HD1 TRP 14 HD1 TRP 14 9.086 0.848 -5.645
160 HE1 TRP 14 HE1 TRP 14 10.515 2.792 -6.541
161 HE3 TRP 14 HE3 TRP 14 8.814 3.952 -1.600
162 HZ2 TRP 14 HZ2 TRP 14 11.405 5.317 -5.646
163 HZ3 TRP 14 HZ3 TRP 14 9.987 6.123 -1.705
164 HH2 TRP 14 HH2 TRP 14 11.250 6.783 -3.685
165 H ARG 15 HN ARG 15 7.813 1.110 -0.073
166 HA ARG 15 HA ARG 15 9.814 2.914 0.774
167 HB2 ARG 15 HB2 ARG 15 7.333 1.786 1.988
168 HB3 ARG 15 HB3 ARG 15 8.495 2.544 3.063
169 HG2 ARG 15 HG2 ARG 15 6.702 4.059 2.320
170 HG3 ARG 15 HG3 ARG 15 8.312 4.627 1.881
171 HD2 ARG 15 HD2 ARG 15 7.965 3.680 -0.381
172 HD3 ARG 15 HD3 ARG 15 6.319 3.255 0.085
173 HE ARG 15 HE ARG 15 5.733 5.397 -0.389
174 HH11 ARG 15 HH11 ARG 15 9.147 5.434 0.437
175 HH12 ARG 15 HH12 ARG 15 9.340 7.126 0.087
176 HH21 ARG 15 HH21 ARG 15 5.988 7.625 -0.816
177 HH22 ARG 15 HH22 ARG 15 7.553 8.360 -0.607
178 H ARG 16 HN ARG 16 8.854 -0.249 2.078
179 HA ARG 16 HA ARG 16 10.015 -1.906 3.106
180 HB2 ARG 16 HB2 ARG 16 11.649 -1.193 1.133
181 HB3 ARG 16 HB3 ARG 16 12.649 -0.650 2.468
182 HG2 ARG 16 HG2 ARG 16 11.561 -3.431 2.417
183 HG3 ARG 16 HG3 ARG 16 12.998 -3.006 1.494
184 HD2 ARG 16 HD2 ARG 16 13.802 -3.849 3.536
185 HD3 ARG 16 HD3 ARG 16 13.945 -2.099 3.676
186 HE ARG 16 HE ARG 16 11.476 -3.082 4.723
187 HH11 ARG 16 HH11 ARG 16 14.880 -2.705 5.452
188 HH12 ARG 16 HH12 ARG 16 14.615 -2.547 7.159
189 HH21 ARG 16 HH21 ARG 16 11.139 -2.849 6.965
190 HH22 ARG 16 HH22 ARG 16 12.499 -2.641 8.019
Contact the webmaster for help, if required. Monday, June 24, 2024 1:21:50 PM GMT (wattos1)