NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630456 | 6cos | 30431 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 0.381 -9.504 -6.136 2 H2 GLU 1 HT2 GLU 1 -0.012 -8.006 -5.439 3 H3 GLU 1 HT3 GLU 1 -1.061 -8.718 -6.571 4 HA GLU 1 HA GLU 1 -1.830 -10.274 -5.141 5 HB2 GLU 1 HB2 GLU 1 -0.661 -10.962 -3.044 6 HB3 GLU 1 HB1 GLU 1 0.399 -11.159 -4.484 7 HG2 GLU 1 HG2 GLU 1 1.515 -8.945 -3.950 8 HG3 GLU 1 HG1 GLU 1 0.493 -8.815 -2.464 9 H MET 2 HN MET 2 -1.914 -7.188 -5.275 10 HA MET 2 HA MET 2 -3.360 -6.923 -2.770 11 HB2 MET 2 HB2 MET 2 -0.987 -5.308 -3.588 12 HB3 MET 2 HB1 MET 2 -2.409 -4.346 -3.063 13 HG2 MET 2 HG2 MET 2 -0.548 -6.103 -1.482 14 HG3 MET 2 HG1 MET 2 -1.336 -4.551 -1.065 15 HE1 MET 2 HE1 MET 2 -3.771 -4.532 -1.582 16 HE2 MET 2 HE2 MET 2 -4.558 -4.888 -0.008 17 HE3 MET 2 HE3 MET 2 -4.923 -5.901 -1.450 18 H ARG 3 HN ARG 3 -4.368 -4.490 -2.944 19 HA ARG 3 HA ARG 3 -5.716 -4.553 -5.456 20 HB2 ARG 3 HB2 ARG 3 -6.865 -5.383 -3.240 21 HB3 ARG 3 HB1 ARG 3 -6.801 -3.624 -2.827 22 HG2 ARG 3 HG2 ARG 3 -7.980 -4.396 -5.509 23 HG3 ARG 3 HG1 ARG 3 -8.953 -4.746 -4.034 24 HD2 ARG 3 HD2 ARG 3 -7.709 -2.064 -3.882 25 HD3 ARG 3 HD1 ARG 3 -8.754 -2.233 -5.367 26 HE ARG 3 HE ARG 3 -10.182 -3.337 -3.126 27 HH11 ARG 3 HH11 ARG 3 -8.910 -0.253 -4.369 28 HH12 ARG 3 HH12 ARG 3 -10.124 0.729 -3.621 29 HH21 ARG 3 HH21 ARG 3 -11.838 -2.003 -2.107 30 HH22 ARG 3 HH22 ARG 3 -11.818 -0.284 -2.312 31 H LEU 4 HN LEU 4 -4.229 -3.019 -2.869 32 HA LEU 4 HA LEU 4 -5.121 -0.440 -3.393 33 HB2 LEU 4 HB2 LEU 4 -2.465 -0.611 -2.332 34 HB3 LEU 4 HB1 LEU 4 -3.910 0.057 -1.562 35 HG LEU 4 HG LEU 4 -3.311 -2.845 -1.736 36 HD11 LEU 4 HD11 LEU 4 -2.886 -1.843 0.927 37 HD12 LEU 4 HD12 LEU 4 -1.952 -0.836 -0.265 38 HD13 LEU 4 HD13 LEU 4 -1.728 -2.627 -0.230 39 HD21 LEU 4 HD21 LEU 4 -4.935 -2.698 0.396 40 HD22 LEU 4 HD22 LEU 4 -5.584 -2.772 -1.296 41 HD23 LEU 4 HD23 LEU 4 -5.476 -1.184 -0.431 42 H SER 5 HN SER 5 -2.454 -2.395 -3.822 43 HA SER 5 HA SER 5 -0.456 -1.176 -4.614 44 HB2 SER 5 HB2 SER 5 0.345 -3.157 -5.059 45 HB3 SER 5 HB1 SER 5 -1.326 -3.675 -4.559 46 HG SER 5 HG SER 5 -0.462 -3.141 -7.241 47 H LYS 6 HN LYS 6 -3.130 -0.668 -6.573 48 HA LYS 6 HA LYS 6 -1.458 0.245 -8.747 49 HB2 LYS 6 HB2 LYS 6 -4.371 0.912 -7.953 50 HB3 LYS 6 HB1 LYS 6 -3.552 1.443 -9.465 51 HG2 LYS 6 HG2 LYS 6 -3.361 -0.908 -10.230 52 HG3 LYS 6 HG1 LYS 6 -4.098 -1.490 -8.695 53 HD2 LYS 6 HD2 LYS 6 -6.186 -0.248 -9.219 54 HD3 LYS 6 HD1 LYS 6 -5.462 0.350 -10.752 55 HE2 LYS 6 HE2 LYS 6 -5.269 -2.015 -11.588 56 HE3 LYS 6 HE1 LYS 6 -5.996 -2.616 -10.039 57 HZ1 LYS 6 HZ1 LYS 6 -7.943 -1.227 -10.555 58 HZ2 LYS 6 HZ2 LYS 6 -7.659 -2.453 -11.694 59 HZ3 LYS 6 HZ3 LYS 6 -7.263 -0.844 -12.062 60 H PHE 7 HN PHE 7 -1.761 0.451 -5.488 61 HA PHE 7 HA PHE 7 -2.136 3.207 -4.991 62 HB2 PHE 7 HB2 PHE 7 -3.147 1.274 -3.932 63 HB3 PHE 7 HB1 PHE 7 -1.635 0.833 -3.184 64 HD1 PHE 7 HD1 PHE 7 -4.573 1.558 -2.432 65 HD2 PHE 7 HD2 PHE 7 -0.789 3.380 -2.362 66 HE1 PHE 7 HE1 PHE 7 -4.998 2.478 -0.266 67 HE2 PHE 7 HE2 PHE 7 -1.048 4.330 -0.380 68 HZ PHE 7 HZ PHE 7 -3.297 3.980 0.872 69 H PHE 8 HN PHE 8 -0.177 0.609 -3.647 70 HA PHE 8 HA PHE 8 1.223 2.681 -2.330 71 HB2 PHE 8 HB2 PHE 8 2.635 0.556 -1.567 72 HB3 PHE 8 HB1 PHE 8 1.090 0.917 -0.754 73 HD1 PHE 8 HD1 PHE 8 3.081 -1.168 -2.229 74 HD2 PHE 8 HD2 PHE 8 -0.881 -0.070 -1.691 75 HE1 PHE 8 HE1 PHE 8 2.472 -3.284 -2.871 76 HE2 PHE 8 HE2 PHE 8 -1.536 -2.243 -2.371 77 HZ PHE 8 HZ PHE 8 0.141 -3.866 -2.919 78 H ARG 9 HN ARG 9 1.152 0.131 -4.345 79 HA ARG 9 HA ARG 9 3.822 0.080 -4.805 80 HB2 ARG 9 HB2 ARG 9 1.323 -1.055 -5.787 81 HB3 ARG 9 HB1 ARG 9 2.615 -0.933 -7.058 82 HG2 ARG 9 HG2 ARG 9 3.188 -2.206 -4.347 83 HG3 ARG 9 HG1 ARG 9 2.328 -3.153 -5.606 84 HD2 ARG 9 HD2 ARG 9 5.001 -1.721 -6.155 85 HD3 ARG 9 HD1 ARG 9 4.916 -3.421 -5.513 86 HE ARG 9 HE ARG 9 3.189 -3.296 -7.778 87 HH11 ARG 9 HH11 ARG 9 6.629 -2.884 -6.953 88 HH12 ARG 9 HH12 ARG 9 7.222 -3.420 -8.489 89 HH21 ARG 9 HH21 ARG 9 3.994 -4.026 -9.869 90 HH22 ARG 9 HH22 ARG 9 5.697 -4.080 -10.175 91 H ASP 10 HN ASP 10 1.467 2.143 -5.030 92 HA ASP 10 HA ASP 10 2.663 3.204 -7.292 93 HB2 ASP 10 HB2 ASP 10 0.460 2.190 -7.377 94 HB3 ASP 10 HB1 ASP 10 -0.067 3.735 -6.614 95 H DPN 11 HN DPN 11 2.307 3.679 -3.993 96 HA DPN 11 HA DPN 11 2.015 6.534 -4.472 97 HB2 DPN 11 HB1 DPN 11 4.524 6.272 -3.238 98 HB3 DPN 11 HB2 DPN 11 4.181 6.988 -4.857 99 HD1 DPN 11 HD1 DPN 11 4.520 5.545 -6.849 100 HD2 DPN 11 HD2 DPN 11 4.937 4.454 -2.874 101 HE1 DPN 11 HE1 DPN 11 4.918 3.192 -7.450 102 HE2 DPN 11 HE2 DPN 11 5.319 2.275 -3.426 103 HZ DPN 11 HZ DPN 11 5.220 1.710 -5.566 104 H ILE 12 HN ILE 12 3.898 4.847 -2.042 105 HA ILE 12 HA ILE 12 3.387 6.740 -0.113 106 HB ILE 12 HB ILE 12 2.495 4.661 1.359 107 HG12 ILE 12 HG12 ILE 12 0.662 3.615 0.076 108 HG13 ILE 12 HG11 ILE 12 1.216 4.506 -1.402 109 HG21 ILE 12 HG21 ILE 12 1.270 6.557 1.884 110 HG22 ILE 12 HG22 ILE 12 0.107 5.949 0.646 111 HG23 ILE 12 HG23 ILE 12 1.346 7.178 0.190 112 HD11 ILE 12 HD11 ILE 12 3.422 3.345 -0.073 113 HD12 ILE 12 HD12 ILE 12 2.859 3.135 -1.746 114 HD13 ILE 12 HD13 ILE 12 2.219 2.131 -0.371 115 H LEU 13 HN LEU 13 4.939 4.307 -1.715 116 HA LEU 13 HA LEU 13 6.645 3.516 0.530 117 HB2 LEU 13 HB2 LEU 13 6.671 2.452 -2.310 118 HB3 LEU 13 HB1 LEU 13 7.202 1.606 -0.811 119 HG LEU 13 HG LEU 13 4.431 2.427 -1.604 120 HD11 LEU 13 HD11 LEU 13 4.582 -0.397 -1.390 121 HD12 LEU 13 HD12 LEU 13 6.071 0.124 -2.275 122 HD13 LEU 13 HD13 LEU 13 4.451 0.617 -2.890 123 HD21 LEU 13 HD21 LEU 13 3.716 1.181 0.446 124 HD22 LEU 13 HD22 LEU 13 4.795 2.599 0.816 125 HD23 LEU 13 HD23 LEU 13 5.453 0.904 0.867 126 H GLN 14 HN GLN 14 6.639 4.420 -2.943 127 HA GLN 14 HA GLN 14 9.468 4.734 -3.003 128 HB2 GLN 14 HB2 GLN 14 7.468 6.308 -4.700 129 HB3 GLN 14 HB1 GLN 14 9.197 5.995 -5.098 130 HG2 GLN 14 HG2 GLN 14 6.868 4.092 -5.022 131 HG3 GLN 14 HG1 GLN 14 7.911 4.485 -6.432 132 HE21 GLN 14 HE21 GLN 14 7.270 2.490 -3.813 133 HE22 GLN 14 HE22 GLN 14 8.724 1.531 -3.784 134 H ARG 15 HN ARG 15 6.794 6.395 -1.770 135 HA ARG 15 HA ARG 15 8.435 8.804 -1.589 136 HB2 ARG 15 HB2 ARG 15 5.655 8.830 -0.459 137 HB3 ARG 15 HB1 ARG 15 6.511 10.106 -1.386 138 HG2 ARG 15 HG2 ARG 15 5.730 9.357 -3.409 139 HG3 ARG 15 HG1 ARG 15 5.832 7.622 -2.929 140 HD2 ARG 15 HD2 ARG 15 3.452 8.276 -3.192 141 HD3 ARG 15 HD1 ARG 15 3.820 7.918 -1.448 142 HE ARG 15 HE ARG 15 3.539 10.244 -0.959 143 HH11 ARG 15 HH11 ARG 15 3.556 9.636 -4.478 144 HH12 ARG 15 HH12 ARG 15 3.000 11.219 -4.907 145 HH21 ARG 15 HH21 ARG 15 2.783 12.390 -1.551 146 HH22 ARG 15 HH22 ARG 15 2.554 12.810 -3.215 147 H LYS 16 HN LYS 16 6.863 6.140 -0.025 148 HA LYS 16 HA LYS 16 7.020 5.219 1.905 149 HB2 LYS 16 HB2 LYS 16 8.828 7.532 2.697 150 HB3 LYS 16 HB1 LYS 16 8.462 6.149 3.768 151 HG2 LYS 16 HG2 LYS 16 9.860 5.952 1.033 152 HG3 LYS 16 HG1 LYS 16 10.696 5.957 2.624 153 HD2 LYS 16 HD2 LYS 16 9.374 3.896 3.278 154 HD3 LYS 16 HD1 LYS 16 8.653 3.875 1.630 155 HE2 LYS 16 HE2 LYS 16 10.941 3.591 0.626 156 HE3 LYS 16 HE1 LYS 16 11.670 3.616 2.286 157 HZ1 LYS 16 HZ1 LYS 16 9.664 1.760 2.407 158 HZ2 LYS 16 HZ2 LYS 16 11.331 1.465 2.282 159 HZ3 LYS 16 HZ3 LYS 16 10.368 1.505 0.884 160 H LYS 17 HN LYS 17 5.372 7.788 1.115 161 HA LYS 17 HA LYS 17 3.698 7.555 3.319 162 HB2 LYS 17 HB2 LYS 17 3.837 10.125 3.940 163 HB3 LYS 17 HB1 LYS 17 4.966 8.970 4.722 164 HG2 LYS 17 HG2 LYS 17 6.507 10.554 4.102 165 HG3 LYS 17 HG1 LYS 17 6.506 9.598 2.587 166 HD2 LYS 17 HD2 LYS 17 4.509 11.291 1.925 167 HD3 LYS 17 HD1 LYS 17 5.297 12.329 3.165 168 HE2 LYS 17 HE2 LYS 17 7.482 12.142 1.934 169 HE3 LYS 17 HE1 LYS 17 6.678 11.099 0.686 170 HZ1 LYS 17 HZ1 LYS 17 5.804 12.863 -0.264 171 HZ2 LYS 17 HZ2 LYS 17 6.863 13.806 0.670 172 HZ3 LYS 17 HZ3 LYS 17 5.270 13.545 1.196 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 0.290 -11.130 -4.369 2 H2 GLU 1 HT2 GLU 1 -0.036 -10.159 -3.014 3 H3 GLU 1 HT3 GLU 1 0.686 -9.478 -4.392 4 HA GLU 1 HA GLU 1 -1.214 -9.501 -5.606 5 HB2 GLU 1 HB2 GLU 1 -1.708 -11.931 -5.181 6 HB3 GLU 1 HB1 GLU 1 -2.346 -11.494 -3.556 7 HG2 GLU 1 HG2 GLU 1 -4.174 -10.142 -4.606 8 HG3 GLU 1 HG1 GLU 1 -3.525 -10.522 -6.251 9 H MET 2 HN MET 2 -1.807 -7.381 -5.243 10 HA MET 2 HA MET 2 -3.333 -6.923 -2.792 11 HB2 MET 2 HB2 MET 2 -0.920 -5.417 -3.771 12 HB3 MET 2 HB1 MET 2 -2.300 -4.428 -3.188 13 HG2 MET 2 HG2 MET 2 -0.366 -6.153 -1.674 14 HG3 MET 2 HG1 MET 2 -1.147 -4.603 -1.241 15 HE1 MET 2 HE1 MET 2 -4.221 -4.849 -0.031 16 HE2 MET 2 HE2 MET 2 -4.783 -6.000 -1.292 17 HE3 MET 2 HE3 MET 2 -3.646 -4.683 -1.724 18 H ARG 3 HN ARG 3 -4.318 -4.593 -3.037 19 HA ARG 3 HA ARG 3 -5.588 -4.636 -5.615 20 HB2 ARG 3 HB2 ARG 3 -6.567 -4.427 -2.810 21 HB3 ARG 3 HB1 ARG 3 -7.527 -3.651 -4.124 22 HG2 ARG 3 HG2 ARG 3 -8.580 -5.763 -3.862 23 HG3 ARG 3 HG1 ARG 3 -7.462 -6.051 -5.245 24 HD2 ARG 3 HD2 ARG 3 -6.208 -7.574 -4.051 25 HD3 ARG 3 HD1 ARG 3 -6.159 -6.493 -2.590 26 HE ARG 3 HE ARG 3 -8.175 -7.522 -1.795 27 HH11 ARG 3 HH11 ARG 3 -7.248 -8.678 -5.040 28 HH12 ARG 3 HH12 ARG 3 -8.311 -10.045 -5.024 29 HH21 ARG 3 HH21 ARG 3 -9.620 -9.380 -1.780 30 HH22 ARG 3 HH22 ARG 3 -9.682 -10.448 -3.141 31 H LEU 4 HN LEU 4 -4.138 -3.160 -3.006 32 HA LEU 4 HA LEU 4 -5.119 -0.578 -3.460 33 HB2 LEU 4 HB2 LEU 4 -2.461 -0.704 -2.396 34 HB3 LEU 4 HB1 LEU 4 -3.923 -0.087 -1.616 35 HG LEU 4 HG LEU 4 -3.253 -2.968 -1.849 36 HD11 LEU 4 HD11 LEU 4 -1.684 -2.746 -0.334 37 HD12 LEU 4 HD12 LEU 4 -2.865 -2.012 0.835 38 HD13 LEU 4 HD13 LEU 4 -1.949 -0.961 -0.332 39 HD21 LEU 4 HD21 LEU 4 -4.895 -2.848 0.304 40 HD22 LEU 4 HD22 LEU 4 -5.509 -3.018 -1.395 41 HD23 LEU 4 HD23 LEU 4 -5.492 -1.394 -0.590 42 H SER 5 HN SER 5 -2.411 -2.458 -3.924 43 HA SER 5 HA SER 5 -0.436 -1.196 -4.698 44 HB2 SER 5 HB2 SER 5 0.390 -3.159 -5.176 45 HB3 SER 5 HB1 SER 5 -1.276 -3.710 -4.687 46 HG SER 5 HG SER 5 -0.430 -3.103 -7.361 47 H LYS 6 HN LYS 6 -3.113 -0.675 -6.619 48 HA LYS 6 HA LYS 6 -1.452 0.297 -8.786 49 HB2 LYS 6 HB2 LYS 6 -4.371 1.007 -8.056 50 HB3 LYS 6 HB1 LYS 6 -3.521 1.424 -9.585 51 HG2 LYS 6 HG2 LYS 6 -4.215 -1.434 -8.659 52 HG3 LYS 6 HG1 LYS 6 -5.156 -0.469 -9.849 53 HD2 LYS 6 HD2 LYS 6 -3.119 -0.351 -11.329 54 HD3 LYS 6 HD1 LYS 6 -2.218 -1.364 -10.149 55 HE2 LYS 6 HE2 LYS 6 -3.862 -3.237 -10.497 56 HE3 LYS 6 HE1 LYS 6 -4.762 -2.215 -11.695 57 HZ1 LYS 6 HZ1 LYS 6 -3.387 -3.008 -13.183 58 HZ2 LYS 6 HZ2 LYS 6 -2.400 -3.755 -12.021 59 HZ3 LYS 6 HZ3 LYS 6 -2.120 -2.139 -12.459 60 H PHE 7 HN PHE 7 -1.770 0.429 -5.537 61 HA PHE 7 HA PHE 7 -2.199 3.168 -4.979 62 HB2 PHE 7 HB2 PHE 7 -3.171 1.191 -3.964 63 HB3 PHE 7 HB1 PHE 7 -1.651 0.763 -3.226 64 HD1 PHE 7 HD1 PHE 7 -4.607 1.426 -2.466 65 HD2 PHE 7 HD2 PHE 7 -0.848 3.294 -2.342 66 HE1 PHE 7 HE1 PHE 7 -5.049 2.289 -0.278 67 HE2 PHE 7 HE2 PHE 7 -1.122 4.192 -0.339 68 HZ PHE 7 HZ PHE 7 -3.370 3.784 0.900 69 H PHE 8 HN PHE 8 -0.192 0.577 -3.693 70 HA PHE 8 HA PHE 8 1.178 2.646 -2.337 71 HB2 PHE 8 HB2 PHE 8 2.621 0.528 -1.616 72 HB3 PHE 8 HB1 PHE 8 1.072 0.851 -0.795 73 HD1 PHE 8 HD1 PHE 8 3.093 -1.168 -2.328 74 HD2 PHE 8 HD2 PHE 8 -0.885 -0.156 -1.740 75 HE1 PHE 8 HE1 PHE 8 2.521 -3.277 -3.015 76 HE2 PHE 8 HE2 PHE 8 -1.503 -2.325 -2.470 77 HZ PHE 8 HZ PHE 8 0.203 -3.904 -3.064 78 H ARG 9 HN ARG 9 1.143 0.141 -4.411 79 HA ARG 9 HA ARG 9 3.816 0.148 -4.865 80 HB2 ARG 9 HB2 ARG 9 1.338 -1.008 -5.879 81 HB3 ARG 9 HB1 ARG 9 2.630 -0.834 -7.143 82 HG2 ARG 9 HG2 ARG 9 3.226 -2.158 -4.462 83 HG3 ARG 9 HG1 ARG 9 2.376 -3.092 -5.738 84 HD2 ARG 9 HD2 ARG 9 5.023 -1.607 -6.269 85 HD3 ARG 9 HD1 ARG 9 4.969 -3.319 -5.655 86 HE ARG 9 HE ARG 9 3.230 -3.181 -7.913 87 HH11 ARG 9 HH11 ARG 9 6.668 -2.738 -7.091 88 HH12 ARG 9 HH12 ARG 9 7.262 -3.242 -8.638 89 HH21 ARG 9 HH21 ARG 9 4.037 -3.866 -10.017 90 HH22 ARG 9 HH22 ARG 9 5.740 -3.893 -10.330 91 H ASP 10 HN ASP 10 1.425 2.173 -5.040 92 HA ASP 10 HA ASP 10 2.602 3.310 -7.274 93 HB2 ASP 10 HB2 ASP 10 0.418 2.256 -7.390 94 HB3 ASP 10 HB1 ASP 10 -0.141 3.773 -6.591 95 H DPN 11 HN DPN 11 2.238 3.702 -3.968 96 HA DPN 11 HA DPN 11 1.884 6.561 -4.378 97 HB2 DPN 11 HB1 DPN 11 4.398 6.330 -3.156 98 HB3 DPN 11 HB2 DPN 11 4.039 7.069 -4.758 99 HD1 DPN 11 HD1 DPN 11 4.405 5.673 -6.777 100 HD2 DPN 11 HD2 DPN 11 4.859 4.510 -2.824 101 HE1 DPN 11 HE1 DPN 11 4.845 3.342 -7.429 102 HE2 DPN 11 HE2 DPN 11 5.280 2.345 -3.425 103 HZ DPN 11 HZ DPN 11 5.183 1.822 -5.582 104 H ILE 12 HN ILE 12 3.820 4.877 -2.004 105 HA ILE 12 HA ILE 12 3.223 6.687 -0.013 106 HB ILE 12 HB ILE 12 2.399 4.541 1.399 107 HG12 ILE 12 HG12 ILE 12 0.613 3.465 0.082 108 HG13 ILE 12 HG11 ILE 12 1.139 4.413 -1.371 109 HG21 ILE 12 HG21 ILE 12 0.005 5.851 0.430 110 HG22 ILE 12 HG22 ILE 12 1.305 7.095 0.467 111 HG23 ILE 12 HG23 ILE 12 0.889 6.179 1.966 112 HD11 ILE 12 HD11 ILE 12 3.381 3.310 -0.071 113 HD12 ILE 12 HD12 ILE 12 2.816 3.103 -1.745 114 HD13 ILE 12 HD13 ILE 12 2.226 2.050 -0.383 115 H LEU 13 HN LEU 13 4.831 4.277 -1.659 116 HA LEU 13 HA LEU 13 6.583 3.505 0.555 117 HB2 LEU 13 HB2 LEU 13 6.622 2.493 -2.301 118 HB3 LEU 13 HB1 LEU 13 7.169 1.632 -0.816 119 HG LEU 13 HG LEU 13 4.393 2.424 -1.596 120 HD11 LEU 13 HD11 LEU 13 4.463 0.656 -2.933 121 HD12 LEU 13 HD12 LEU 13 4.549 -0.389 -1.446 122 HD13 LEU 13 HD13 LEU 13 6.062 0.138 -2.281 123 HD21 LEU 13 HD21 LEU 13 3.700 1.132 0.443 124 HD22 LEU 13 HD22 LEU 13 4.753 2.568 0.830 125 HD23 LEU 13 HD23 LEU 13 5.445 0.884 0.853 126 H GLN 14 HN GLN 14 6.565 4.471 -2.909 127 HA GLN 14 HA GLN 14 9.397 4.757 -2.972 128 HB2 GLN 14 HB2 GLN 14 7.415 6.394 -4.634 129 HB3 GLN 14 HB1 GLN 14 9.141 6.073 -5.037 130 HG2 GLN 14 HG2 GLN 14 6.795 4.190 -5.005 131 HG3 GLN 14 HG1 GLN 14 7.837 4.610 -6.407 132 HE21 GLN 14 HE21 GLN 14 7.194 2.558 -3.828 133 HE22 GLN 14 HE22 GLN 14 8.640 1.588 -3.831 134 H ARG 15 HN ARG 15 6.744 6.413 -1.717 135 HA ARG 15 HA ARG 15 8.372 8.822 -1.506 136 HB2 ARG 15 HB2 ARG 15 5.636 8.768 -0.237 137 HB3 ARG 15 HB1 ARG 15 6.435 10.086 -1.162 138 HG2 ARG 15 HG2 ARG 15 5.593 9.375 -3.177 139 HG3 ARG 15 HG1 ARG 15 5.702 7.631 -2.731 140 HD2 ARG 15 HD2 ARG 15 3.307 8.419 -2.914 141 HD3 ARG 15 HD1 ARG 15 3.742 7.832 -1.251 142 HE ARG 15 HE ARG 15 3.500 10.058 -0.439 143 HH11 ARG 15 HH11 ARG 15 3.523 9.972 -4.010 144 HH12 ARG 15 HH12 ARG 15 3.088 11.636 -4.205 145 HH21 ARG 15 HH21 ARG 15 2.919 12.325 -0.717 146 HH22 ARG 15 HH22 ARG 15 2.740 12.994 -2.303 147 H LYS 16 HN LYS 16 6.894 6.081 0.079 148 HA LYS 16 HA LYS 16 6.925 5.243 2.095 149 HB2 LYS 16 HB2 LYS 16 9.310 7.112 2.272 150 HB3 LYS 16 HB1 LYS 16 8.721 6.326 3.767 151 HG2 LYS 16 HG2 LYS 16 10.054 4.572 3.245 152 HG3 LYS 16 HG1 LYS 16 8.890 4.198 1.925 153 HD2 LYS 16 HD2 LYS 16 10.937 4.303 0.771 154 HD3 LYS 16 HD1 LYS 16 10.260 5.949 0.515 155 HE2 LYS 16 HE2 LYS 16 11.711 6.863 2.327 156 HE3 LYS 16 HE1 LYS 16 12.340 5.201 2.690 157 HZ1 LYS 16 HZ1 LYS 16 13.549 6.873 1.084 158 HZ2 LYS 16 HZ2 LYS 16 12.523 6.161 -0.067 159 HZ3 LYS 16 HZ3 LYS 16 13.583 5.193 0.840 160 H LYS 17 HN LYS 17 5.499 7.644 1.231 161 HA LYS 17 HA LYS 17 4.216 9.245 1.930 162 HB2 LYS 17 HB2 LYS 17 4.074 7.248 4.101 163 HB3 LYS 17 HB1 LYS 17 3.795 8.914 4.724 164 HG2 LYS 17 HG2 LYS 17 2.306 7.512 2.445 165 HG3 LYS 17 HG1 LYS 17 1.653 7.933 4.066 166 HD2 LYS 17 HD2 LYS 17 1.042 9.986 3.310 167 HD3 LYS 17 HD1 LYS 17 2.741 10.348 2.849 168 HE2 LYS 17 HE2 LYS 17 2.395 9.215 0.637 169 HE3 LYS 17 HE1 LYS 17 0.666 8.885 1.093 170 HZ1 LYS 17 HZ1 LYS 17 1.342 10.980 -0.255 171 HZ2 LYS 17 HZ2 LYS 17 1.687 11.631 1.277 172 HZ3 LYS 17 HZ3 LYS 17 0.127 11.058 0.929 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 -0.259 -9.028 -3.440 2 H2 GLU 1 HT2 GLU 1 0.552 -9.995 -4.577 3 H3 GLU 1 HT3 GLU 1 -1.031 -10.389 -4.105 4 HA GLU 1 HA GLU 1 -0.088 -8.518 -6.054 5 HB2 GLU 1 HB2 GLU 1 -1.561 -10.483 -6.566 6 HB3 GLU 1 HB1 GLU 1 -2.813 -9.816 -5.464 7 HG2 GLU 1 HG2 GLU 1 -3.445 -9.320 -7.799 8 HG3 GLU 1 HG1 GLU 1 -3.010 -7.771 -6.977 9 H MET 2 HN MET 2 -2.519 -8.520 -3.368 10 HA MET 2 HA MET 2 -3.518 -6.839 -2.312 11 HB2 MET 2 HB2 MET 2 -1.086 -5.413 -3.338 12 HB3 MET 2 HB1 MET 2 -2.469 -4.375 -2.859 13 HG2 MET 2 HG2 MET 2 -0.597 -6.026 -1.185 14 HG3 MET 2 HG1 MET 2 -1.360 -4.437 -0.876 15 HE1 MET 2 HE1 MET 2 -4.401 -4.499 0.307 16 HE2 MET 2 HE2 MET 2 -5.029 -5.714 -0.856 17 HE3 MET 2 HE3 MET 2 -3.839 -4.489 -1.400 18 H ARG 3 HN ARG 3 -4.333 -4.397 -2.786 19 HA ARG 3 HA ARG 3 -5.699 -4.627 -5.297 20 HB2 ARG 3 HB2 ARG 3 -6.646 -4.222 -2.502 21 HB3 ARG 3 HB1 ARG 3 -7.605 -3.511 -3.854 22 HG2 ARG 3 HG2 ARG 3 -8.722 -5.550 -3.611 23 HG3 ARG 3 HG1 ARG 3 -7.458 -6.049 -4.793 24 HD2 ARG 3 HD2 ARG 3 -6.894 -7.681 -3.262 25 HD3 ARG 3 HD1 ARG 3 -6.156 -6.322 -2.292 26 HE ARG 3 HE ARG 3 -8.984 -6.438 -1.736 27 HH11 ARG 3 HH11 ARG 3 -5.963 -8.270 -1.289 28 HH12 ARG 3 HH12 ARG 3 -6.446 -9.001 0.205 29 HH21 ARG 3 HH21 ARG 3 -9.644 -7.434 0.294 30 HH22 ARG 3 HH22 ARG 3 -8.576 -8.518 1.119 31 H LEU 4 HN LEU 4 -4.269 -3.009 -2.749 32 HA LEU 4 HA LEU 4 -5.162 -0.440 -3.391 33 HB2 LEU 4 HB2 LEU 4 -2.528 -0.567 -2.265 34 HB3 LEU 4 HB1 LEU 4 -3.992 0.128 -1.552 35 HG LEU 4 HG LEU 4 -3.384 -2.780 -1.604 36 HD11 LEU 4 HD11 LEU 4 -1.843 -2.504 -0.069 37 HD12 LEU 4 HD12 LEU 4 -3.031 -1.675 1.029 38 HD13 LEU 4 HD13 LEU 4 -2.064 -0.717 -0.179 39 HD21 LEU 4 HD21 LEU 4 -5.066 -2.474 0.513 40 HD22 LEU 4 HD22 LEU 4 -5.640 -2.778 -1.181 41 HD23 LEU 4 HD23 LEU 4 -5.622 -1.093 -0.513 42 H SER 5 HN SER 5 -2.497 -2.418 -3.689 43 HA SER 5 HA SER 5 -0.474 -1.254 -4.488 44 HB2 SER 5 HB2 SER 5 0.318 -3.260 -4.900 45 HB3 SER 5 HB1 SER 5 -1.343 -3.724 -4.315 46 HG SER 5 HG SER 5 -1.113 -4.803 -6.179 47 H LYS 6 HN LYS 6 -3.109 -0.802 -6.521 48 HA LYS 6 HA LYS 6 -1.388 0.013 -8.694 49 HB2 LYS 6 HB2 LYS 6 -4.308 0.740 -7.982 50 HB3 LYS 6 HB1 LYS 6 -3.453 1.212 -9.495 51 HG2 LYS 6 HG2 LYS 6 -3.295 -1.143 -10.204 52 HG3 LYS 6 HG1 LYS 6 -4.006 -1.698 -8.649 53 HD2 LYS 6 HD2 LYS 6 -6.110 -0.460 -9.175 54 HD3 LYS 6 HD1 LYS 6 -5.410 0.073 -10.742 55 HE2 LYS 6 HE2 LYS 6 -5.832 -2.885 -9.931 56 HE3 LYS 6 HE1 LYS 6 -6.957 -1.924 -10.980 57 HZ1 LYS 6 HZ1 LYS 6 -5.697 -2.533 -12.645 58 HZ2 LYS 6 HZ2 LYS 6 -4.520 -3.219 -11.633 59 HZ3 LYS 6 HZ3 LYS 6 -4.439 -1.571 -12.034 60 H PHE 7 HN PHE 7 -1.748 0.351 -5.452 61 HA PHE 7 HA PHE 7 -2.104 3.127 -5.068 62 HB2 PHE 7 HB2 PHE 7 -3.153 1.245 -3.957 63 HB3 PHE 7 HB1 PHE 7 -1.660 0.818 -3.163 64 HD1 PHE 7 HD1 PHE 7 -4.606 1.605 -2.502 65 HD2 PHE 7 HD2 PHE 7 -0.801 3.381 -2.417 66 HE1 PHE 7 HE1 PHE 7 -5.062 2.606 -0.379 67 HE2 PHE 7 HE2 PHE 7 -1.088 4.404 -0.476 68 HZ PHE 7 HZ PHE 7 -3.367 4.127 0.740 69 H PHE 8 HN PHE 8 -0.198 0.565 -3.590 70 HA PHE 8 HA PHE 8 1.202 2.670 -2.326 71 HB2 PHE 8 HB2 PHE 8 2.576 0.558 -1.459 72 HB3 PHE 8 HB1 PHE 8 1.020 0.967 -0.688 73 HD1 PHE 8 HD1 PHE 8 3.012 -1.190 -2.063 74 HD2 PHE 8 HD2 PHE 8 -0.944 -0.035 -1.612 75 HE1 PHE 8 HE1 PHE 8 2.389 -3.320 -2.639 76 HE2 PHE 8 HE2 PHE 8 -1.614 -2.222 -2.225 77 HZ PHE 8 HZ PHE 8 0.052 -3.882 -2.696 78 H ARG 9 HN ARG 9 1.134 0.058 -4.260 79 HA ARG 9 HA ARG 9 3.815 -0.039 -4.657 80 HB2 ARG 9 HB2 ARG 9 1.329 -1.194 -5.640 81 HB3 ARG 9 HB1 ARG 9 2.640 -1.125 -6.894 82 HG2 ARG 9 HG2 ARG 9 3.157 -2.305 -4.129 83 HG3 ARG 9 HG1 ARG 9 2.320 -3.291 -5.373 84 HD2 ARG 9 HD2 ARG 9 5.011 -1.887 -5.912 85 HD3 ARG 9 HD1 ARG 9 4.904 -3.565 -5.218 86 HE ARG 9 HE ARG 9 3.224 -3.508 -7.520 87 HH11 ARG 9 HH11 ARG 9 6.649 -3.075 -6.642 88 HH12 ARG 9 HH12 ARG 9 7.270 -3.659 -8.149 89 HH21 ARG 9 HH21 ARG 9 4.067 -4.303 -9.571 90 HH22 ARG 9 HH22 ARG 9 5.776 -4.368 -9.843 91 H ASP 10 HN ASP 10 1.484 2.035 -4.999 92 HA ASP 10 HA ASP 10 2.740 3.002 -7.271 93 HB2 ASP 10 HB2 ASP 10 0.559 2.025 -7.450 94 HB3 ASP 10 HB1 ASP 10 -0.006 3.532 -6.642 95 H DPN 11 HN DPN 11 2.326 3.594 -4.001 96 HA DPN 11 HA DPN 11 2.066 6.432 -4.580 97 HB2 DPN 11 HB1 DPN 11 4.552 6.195 -3.296 98 HB3 DPN 11 HB2 DPN 11 4.242 6.855 -4.945 99 HD1 DPN 11 HD1 DPN 11 4.608 5.343 -6.879 100 HD2 DPN 11 HD2 DPN 11 4.940 4.386 -2.861 101 HE1 DPN 11 HE1 DPN 11 4.994 2.966 -7.391 102 HE2 DPN 11 HE2 DPN 11 5.310 2.186 -3.331 103 HZ DPN 11 HZ DPN 11 5.246 1.547 -5.451 104 H ILE 12 HN ILE 12 3.900 4.823 -2.059 105 HA ILE 12 HA ILE 12 3.370 6.776 -0.210 106 HB ILE 12 HB ILE 12 2.425 4.763 1.318 107 HG12 ILE 12 HG12 ILE 12 0.606 3.688 0.042 108 HG13 ILE 12 HG11 ILE 12 1.191 4.522 -1.456 109 HG21 ILE 12 HG21 ILE 12 1.336 7.254 0.049 110 HG22 ILE 12 HG22 ILE 12 1.203 6.681 1.756 111 HG23 ILE 12 HG23 ILE 12 0.066 6.057 0.501 112 HD11 ILE 12 HD11 ILE 12 2.831 3.132 -1.730 113 HD12 ILE 12 HD12 ILE 12 2.163 2.177 -0.327 114 HD13 ILE 12 HD13 ILE 12 3.364 3.384 -0.052 115 H LEU 13 HN LEU 13 4.921 4.273 -1.697 116 HA LEU 13 HA LEU 13 6.579 3.543 0.604 117 HB2 LEU 13 HB2 LEU 13 6.644 2.383 -2.197 118 HB3 LEU 13 HB1 LEU 13 7.139 1.583 -0.660 119 HG LEU 13 HG LEU 13 4.392 2.404 -1.532 120 HD11 LEU 13 HD11 LEU 13 4.424 0.554 -2.761 121 HD12 LEU 13 HD12 LEU 13 4.501 -0.410 -1.221 122 HD13 LEU 13 HD13 LEU 13 6.019 0.057 -2.084 123 HD21 LEU 13 HD21 LEU 13 3.626 1.235 0.545 124 HD22 LEU 13 HD22 LEU 13 4.710 2.658 0.885 125 HD23 LEU 13 HD23 LEU 13 5.353 0.959 1.009 126 H GLN 14 HN GLN 14 6.639 4.335 -2.896 127 HA GLN 14 HA GLN 14 9.473 4.617 -2.917 128 HB2 GLN 14 HB2 GLN 14 7.516 6.153 -4.698 129 HB3 GLN 14 HB1 GLN 14 9.249 5.816 -5.055 130 HG2 GLN 14 HG2 GLN 14 6.905 3.933 -4.960 131 HG3 GLN 14 HG1 GLN 14 7.976 4.273 -6.363 132 HE21 GLN 14 HE21 GLN 14 7.272 2.370 -3.691 133 HE22 GLN 14 HE22 GLN 14 8.717 1.400 -3.606 134 H ARG 15 HN ARG 15 6.792 6.341 -1.785 135 HA ARG 15 HA ARG 15 8.455 8.736 -1.649 136 HB2 ARG 15 HB2 ARG 15 5.653 8.821 -0.570 137 HB3 ARG 15 HB1 ARG 15 6.540 10.062 -1.515 138 HG2 ARG 15 HG2 ARG 15 5.810 9.251 -3.538 139 HG3 ARG 15 HG1 ARG 15 5.858 7.534 -2.992 140 HD2 ARG 15 HD2 ARG 15 3.507 8.236 -3.354 141 HD3 ARG 15 HD1 ARG 15 3.809 7.930 -1.583 142 HE ARG 15 HE ARG 15 4.351 10.689 -2.011 143 HH11 ARG 15 HH11 ARG 15 1.605 8.439 -2.403 144 HH12 ARG 15 HH12 ARG 15 0.392 9.648 -2.140 145 HH21 ARG 15 HH21 ARG 15 2.695 12.314 -1.651 146 HH22 ARG 15 HH22 ARG 15 1.020 11.881 -1.705 147 H LYS 16 HN LYS 16 6.829 6.140 -0.030 148 HA LYS 16 HA LYS 16 6.949 5.275 1.926 149 HB2 LYS 16 HB2 LYS 16 8.780 7.583 2.674 150 HB3 LYS 16 HB1 LYS 16 8.378 6.240 3.783 151 HG2 LYS 16 HG2 LYS 16 9.809 5.935 1.075 152 HG3 LYS 16 HG1 LYS 16 10.625 5.979 2.677 153 HD2 LYS 16 HD2 LYS 16 9.260 3.960 3.377 154 HD3 LYS 16 HD1 LYS 16 8.563 3.897 1.719 155 HE2 LYS 16 HE2 LYS 16 10.861 3.545 0.761 156 HE3 LYS 16 HE1 LYS 16 11.566 3.613 2.430 157 HZ1 LYS 16 HZ1 LYS 16 11.184 1.473 2.510 158 HZ2 LYS 16 HZ2 LYS 16 10.273 1.474 1.076 159 HZ3 LYS 16 HZ3 LYS 16 9.518 1.792 2.563 160 H LYS 17 HN LYS 17 5.346 7.848 1.044 161 HA LYS 17 HA LYS 17 3.702 7.697 3.308 162 HB2 LYS 17 HB2 LYS 17 3.799 10.350 3.640 163 HB3 LYS 17 HB1 LYS 17 4.901 9.277 4.563 164 HG2 LYS 17 HG2 LYS 17 6.379 10.906 3.789 165 HG3 LYS 17 HG1 LYS 17 6.565 9.633 2.543 166 HD2 LYS 17 HD2 LYS 17 4.742 10.932 1.189 167 HD3 LYS 17 HD1 LYS 17 5.008 12.273 2.357 168 HE2 LYS 17 HE2 LYS 17 7.468 12.279 1.744 169 HE3 LYS 17 HE1 LYS 17 7.128 10.987 0.516 170 HZ1 LYS 17 HZ1 LYS 17 5.964 13.724 0.598 171 HZ2 LYS 17 HZ2 LYS 17 5.546 12.512 -0.515 172 HZ3 LYS 17 HZ3 LYS 17 7.126 13.132 -0.489 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 -2.721 -9.315 -5.897 2 H2 GLU 1 HT2 GLU 1 -1.793 -10.692 -6.253 3 H3 GLU 1 HT3 GLU 1 -1.244 -9.155 -6.722 4 HA GLU 1 HA GLU 1 -1.015 -10.516 -4.221 5 HB2 GLU 1 HB2 GLU 1 0.333 -8.005 -5.376 6 HB3 GLU 1 HB1 GLU 1 0.905 -8.919 -3.937 7 HG2 GLU 1 HG2 GLU 1 0.740 -10.036 -6.821 8 HG3 GLU 1 HG1 GLU 1 2.244 -9.497 -5.975 9 H MET 2 HN MET 2 -1.975 -7.181 -5.290 10 HA MET 2 HA MET 2 -3.371 -6.924 -2.767 11 HB2 MET 2 HB2 MET 2 -1.003 -5.296 -3.563 12 HB3 MET 2 HB1 MET 2 -2.431 -4.338 -3.046 13 HG2 MET 2 HG2 MET 2 -0.578 -6.100 -1.458 14 HG3 MET 2 HG1 MET 2 -1.365 -4.547 -1.042 15 HE1 MET 2 HE1 MET 2 -4.594 -4.882 -0.001 16 HE2 MET 2 HE2 MET 2 -4.951 -5.885 -1.452 17 HE3 MET 2 HE3 MET 2 -3.796 -4.519 -1.568 18 H ARG 3 HN ARG 3 -4.381 -4.482 -2.934 19 HA ARG 3 HA ARG 3 -5.734 -4.548 -5.443 20 HB2 ARG 3 HB2 ARG 3 -6.878 -5.374 -3.222 21 HB3 ARG 3 HB1 ARG 3 -6.812 -3.614 -2.813 22 HG2 ARG 3 HG2 ARG 3 -7.999 -4.388 -5.491 23 HG3 ARG 3 HG1 ARG 3 -8.968 -4.736 -4.012 24 HD2 ARG 3 HD2 ARG 3 -7.719 -2.054 -3.872 25 HD3 ARG 3 HD1 ARG 3 -8.778 -2.227 -5.348 26 HE ARG 3 HE ARG 3 -10.192 -3.325 -3.101 27 HH11 ARG 3 HH11 ARG 3 -8.909 -0.241 -4.331 28 HH12 ARG 3 HH12 ARG 3 -10.111 0.743 -3.566 29 HH21 ARG 3 HH21 ARG 3 -11.830 -1.989 -2.059 30 HH22 ARG 3 HH22 ARG 3 -11.800 -0.269 -2.251 31 H LEU 4 HN LEU 4 -4.239 -3.012 -2.863 32 HA LEU 4 HA LEU 4 -5.130 -0.432 -3.392 33 HB2 LEU 4 HB2 LEU 4 -2.473 -0.606 -2.330 34 HB3 LEU 4 HB1 LEU 4 -3.916 0.068 -1.563 35 HG LEU 4 HG LEU 4 -3.324 -2.835 -1.727 36 HD11 LEU 4 HD11 LEU 4 -1.739 -2.614 -0.225 37 HD12 LEU 4 HD12 LEU 4 -2.897 -1.829 0.932 38 HD13 LEU 4 HD13 LEU 4 -1.963 -0.824 -0.260 39 HD21 LEU 4 HD21 LEU 4 -5.599 -2.754 -1.289 40 HD22 LEU 4 HD22 LEU 4 -5.484 -1.164 -0.424 41 HD23 LEU 4 HD23 LEU 4 -4.950 -2.681 0.402 42 H SER 5 HN SER 5 -2.465 -2.393 -3.814 43 HA SER 5 HA SER 5 -0.465 -1.183 -4.613 44 HB2 SER 5 HB2 SER 5 0.332 -3.166 -5.046 45 HB3 SER 5 HB1 SER 5 -1.341 -3.680 -4.546 46 HG SER 5 HG SER 5 -0.489 -3.149 -7.232 47 H LYS 6 HN LYS 6 -3.126 -0.656 -6.550 48 HA LYS 6 HA LYS 6 -1.443 0.230 -8.736 49 HB2 LYS 6 HB2 LYS 6 -4.348 1.019 -8.028 50 HB3 LYS 6 HB1 LYS 6 -3.488 1.378 -9.565 51 HG2 LYS 6 HG2 LYS 6 -4.260 -1.434 -8.564 52 HG3 LYS 6 HG1 LYS 6 -5.160 -0.482 -9.792 53 HD2 LYS 6 HD2 LYS 6 -2.213 -1.345 -10.076 54 HD3 LYS 6 HD1 LYS 6 -3.607 -2.260 -10.743 55 HE2 LYS 6 HE2 LYS 6 -4.248 -0.222 -12.119 56 HE3 LYS 6 HE1 LYS 6 -2.764 0.620 -11.501 57 HZ1 LYS 6 HZ1 LYS 6 -3.046 -1.361 -13.535 58 HZ2 LYS 6 HZ2 LYS 6 -1.888 -1.815 -12.379 59 HZ3 LYS 6 HZ3 LYS 6 -1.748 -0.325 -13.180 60 H PHE 7 HN PHE 7 -1.767 0.446 -5.489 61 HA PHE 7 HA PHE 7 -2.139 3.206 -5.000 62 HB2 PHE 7 HB2 PHE 7 -3.152 1.276 -3.936 63 HB3 PHE 7 HB1 PHE 7 -1.642 0.836 -3.185 64 HD1 PHE 7 HD1 PHE 7 -4.580 1.568 -2.438 65 HD2 PHE 7 HD2 PHE 7 -0.792 3.382 -2.369 66 HE1 PHE 7 HE1 PHE 7 -5.005 2.496 -0.274 67 HE2 PHE 7 HE2 PHE 7 -1.051 4.338 -0.390 68 HZ PHE 7 HZ PHE 7 -3.303 3.998 0.861 69 H PHE 8 HN PHE 8 -0.185 0.609 -3.647 70 HA PHE 8 HA PHE 8 1.220 2.681 -2.337 71 HB2 PHE 8 HB2 PHE 8 2.628 0.557 -1.569 72 HB3 PHE 8 HB1 PHE 8 1.084 0.921 -0.757 73 HD1 PHE 8 HD1 PHE 8 3.071 -1.167 -2.233 74 HD2 PHE 8 HD2 PHE 8 -0.889 -0.066 -1.686 75 HE1 PHE 8 HE1 PHE 8 2.460 -3.283 -2.870 76 HE2 PHE 8 HE2 PHE 8 -1.546 -2.240 -2.362 77 HZ PHE 8 HZ PHE 8 0.129 -3.865 -2.911 78 H ARG 9 HN ARG 9 1.136 0.139 -4.359 79 HA ARG 9 HA ARG 9 3.810 0.076 -4.811 80 HB2 ARG 9 HB2 ARG 9 1.310 -1.054 -5.795 81 HB3 ARG 9 HB1 ARG 9 2.602 -0.934 -7.064 82 HG2 ARG 9 HG2 ARG 9 3.171 -2.210 -4.353 83 HG3 ARG 9 HG1 ARG 9 2.310 -3.155 -5.613 84 HD2 ARG 9 HD2 ARG 9 4.986 -1.728 -6.162 85 HD3 ARG 9 HD1 ARG 9 4.898 -3.427 -5.517 86 HE ARG 9 HE ARG 9 3.172 -3.294 -7.786 87 HH11 ARG 9 HH11 ARG 9 6.612 -2.914 -6.950 88 HH12 ARG 9 HH12 ARG 9 7.205 -3.456 -8.484 89 HH21 ARG 9 HH21 ARG 9 3.976 -4.033 -9.873 90 HH22 ARG 9 HH22 ARG 9 5.679 -4.104 -10.175 91 H ASP 10 HN ASP 10 1.459 2.145 -5.034 92 HA ASP 10 HA ASP 10 2.668 3.203 -7.291 93 HB2 ASP 10 HB2 ASP 10 0.493 2.215 -7.471 94 HB3 ASP 10 HB1 ASP 10 -0.072 3.685 -6.598 95 H DPN 11 HN DPN 11 2.304 3.678 -3.996 96 HA DPN 11 HA DPN 11 2.018 6.533 -4.475 97 HB2 DPN 11 HB1 DPN 11 4.527 6.266 -3.243 98 HB3 DPN 11 HB2 DPN 11 4.185 6.981 -4.862 99 HD1 DPN 11 HD1 DPN 11 4.525 5.538 -6.852 100 HD2 DPN 11 HD2 DPN 11 4.935 4.447 -2.877 101 HE1 DPN 11 HE1 DPN 11 4.921 3.184 -7.453 102 HE2 DPN 11 HE2 DPN 11 5.314 2.267 -3.429 103 HZ DPN 11 HZ DPN 11 5.217 1.703 -5.569 104 H ILE 12 HN ILE 12 3.898 4.843 -2.046 105 HA ILE 12 HA ILE 12 3.389 6.736 -0.115 106 HB ILE 12 HB ILE 12 2.489 4.659 1.354 107 HG12 ILE 12 HG12 ILE 12 0.656 3.616 0.069 108 HG13 ILE 12 HG11 ILE 12 1.213 4.507 -1.408 109 HG21 ILE 12 HG21 ILE 12 0.105 5.952 0.638 110 HG22 ILE 12 HG22 ILE 12 1.347 7.178 0.184 111 HG23 ILE 12 HG23 ILE 12 1.267 6.557 1.878 112 HD11 ILE 12 HD11 ILE 12 2.855 3.136 -1.755 113 HD12 ILE 12 HD12 ILE 12 2.219 2.130 -0.372 114 HD13 ILE 12 HD13 ILE 12 3.416 3.337 -0.080 115 H LEU 13 HN LEU 13 4.936 4.301 -1.717 116 HA LEU 13 HA LEU 13 6.638 3.505 0.530 117 HB2 LEU 13 HB2 LEU 13 6.666 2.442 -2.310 118 HB3 LEU 13 HB1 LEU 13 7.195 1.596 -0.812 119 HG LEU 13 HG LEU 13 4.426 2.420 -1.606 120 HD11 LEU 13 HD11 LEU 13 6.062 0.114 -2.275 121 HD12 LEU 13 HD12 LEU 13 4.445 0.610 -2.895 122 HD13 LEU 13 HD13 LEU 13 4.573 -0.405 -1.392 123 HD21 LEU 13 HD21 LEU 13 3.707 1.173 0.442 124 HD22 LEU 13 HD22 LEU 13 4.787 2.591 0.814 125 HD23 LEU 13 HD23 LEU 13 5.444 0.896 0.866 126 H GLN 14 HN GLN 14 6.639 4.409 -2.943 127 HA GLN 14 HA GLN 14 9.468 4.718 -3.000 128 HB2 GLN 14 HB2 GLN 14 7.473 6.297 -4.698 129 HB3 GLN 14 HB1 GLN 14 9.201 5.980 -5.094 130 HG2 GLN 14 HG2 GLN 14 6.868 4.083 -5.022 131 HG3 GLN 14 HG1 GLN 14 7.912 4.474 -6.430 132 HE21 GLN 14 HE21 GLN 14 7.266 2.479 -3.814 133 HE22 GLN 14 HE22 GLN 14 8.718 1.517 -3.785 134 H ARG 15 HN ARG 15 6.797 6.383 -1.769 135 HA ARG 15 HA ARG 15 8.442 8.788 -1.585 136 HB2 ARG 15 HB2 ARG 15 5.661 8.820 -0.459 137 HB3 ARG 15 HB1 ARG 15 6.521 10.095 -1.386 138 HG2 ARG 15 HG2 ARG 15 5.742 9.347 -3.409 139 HG3 ARG 15 HG1 ARG 15 5.839 7.612 -2.930 140 HD2 ARG 15 HD2 ARG 15 3.461 8.269 -3.196 141 HD3 ARG 15 HD1 ARG 15 3.824 7.914 -1.450 142 HE ARG 15 HE ARG 15 3.549 10.242 -0.967 143 HH11 ARG 15 HH11 ARG 15 3.569 9.626 -4.484 144 HH12 ARG 15 HH12 ARG 15 3.015 11.209 -4.916 145 HH21 ARG 15 HH21 ARG 15 2.795 12.388 -1.564 146 HH22 ARG 15 HH22 ARG 15 2.569 12.804 -3.229 147 H LYS 16 HN LYS 16 6.860 6.128 -0.023 148 HA LYS 16 HA LYS 16 7.011 5.208 1.908 149 HB2 LYS 16 HB2 LYS 16 8.823 7.516 2.702 150 HB3 LYS 16 HB1 LYS 16 8.450 6.134 3.773 151 HG2 LYS 16 HG2 LYS 16 9.854 5.933 1.042 152 HG3 LYS 16 HG1 LYS 16 10.687 5.936 2.635 153 HD2 LYS 16 HD2 LYS 16 9.356 3.879 3.284 154 HD3 LYS 16 HD1 LYS 16 8.640 3.860 1.634 155 HE2 LYS 16 HE2 LYS 16 10.932 3.569 0.639 156 HE3 LYS 16 HE1 LYS 16 11.654 3.591 2.302 157 HZ1 LYS 16 HZ1 LYS 16 9.626 1.742 2.390 158 HZ2 LYS 16 HZ2 LYS 16 11.296 1.446 2.321 159 HZ3 LYS 16 HZ3 LYS 16 10.380 1.480 0.891 160 H LYS 17 HN LYS 17 5.371 7.780 1.113 161 HA LYS 17 HA LYS 17 3.691 7.554 3.313 162 HB2 LYS 17 HB2 LYS 17 3.837 10.125 3.930 163 HB3 LYS 17 HB1 LYS 17 4.958 8.967 4.719 164 HG2 LYS 17 HG2 LYS 17 6.509 10.542 4.102 165 HG3 LYS 17 HG1 LYS 17 6.509 9.585 2.588 166 HD2 LYS 17 HD2 LYS 17 4.522 11.287 1.918 167 HD3 LYS 17 HD1 LYS 17 5.311 12.322 3.159 168 HE2 LYS 17 HE2 LYS 17 7.499 12.125 1.935 169 HE3 LYS 17 HE1 LYS 17 6.696 11.081 0.687 170 HZ1 LYS 17 HZ1 LYS 17 6.904 13.770 0.627 171 HZ2 LYS 17 HZ2 LYS 17 5.323 13.559 1.209 172 HZ3 LYS 17 HZ3 LYS 17 5.791 12.841 -0.257 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 -4.283 -10.256 -3.329 2 H2 GLU 1 HT2 GLU 1 -4.022 -11.810 -2.697 3 H3 GLU 1 HT3 GLU 1 -3.206 -11.317 -4.103 4 HA GLU 1 HA GLU 1 -2.506 -10.975 -1.393 5 HB2 GLU 1 HB2 GLU 1 -1.161 -10.408 -4.092 6 HB3 GLU 1 HB1 GLU 1 -0.310 -10.186 -2.522 7 HG2 GLU 1 HG2 GLU 1 -0.551 -12.588 -1.976 8 HG3 GLU 1 HG1 GLU 1 -1.561 -12.858 -3.452 9 H MET 2 HN MET 2 -2.733 -8.633 -4.181 10 HA MET 2 HA MET 2 -3.508 -6.601 -2.355 11 HB2 MET 2 HB2 MET 2 -1.757 -5.028 -2.635 12 HB3 MET 2 HB1 MET 2 -1.004 -6.546 -2.073 13 HG2 MET 2 HG2 MET 2 -0.670 -5.020 -4.560 14 HG3 MET 2 HG1 MET 2 0.473 -6.075 -3.699 15 HE1 MET 2 HE1 MET 2 -2.041 -5.275 -5.975 16 HE2 MET 2 HE2 MET 2 -2.189 -6.547 -7.245 17 HE3 MET 2 HE3 MET 2 -0.690 -5.558 -7.137 18 H ARG 3 HN ARG 3 -4.068 -4.622 -3.397 19 HA ARG 3 HA ARG 3 -4.595 -4.924 -6.239 20 HB2 ARG 3 HB2 ARG 3 -6.502 -4.356 -3.979 21 HB3 ARG 3 HB1 ARG 3 -6.913 -3.999 -5.696 22 HG2 ARG 3 HG2 ARG 3 -7.945 -6.085 -5.506 23 HG3 ARG 3 HG1 ARG 3 -6.299 -6.627 -5.997 24 HD2 ARG 3 HD2 ARG 3 -6.585 -7.979 -4.095 25 HD3 ARG 3 HD1 ARG 3 -5.890 -6.493 -3.295 26 HE ARG 3 HE ARG 3 -8.759 -6.214 -3.483 27 HH11 ARG 3 HH11 ARG 3 -6.209 -8.088 -1.849 28 HH12 ARG 3 HH12 ARG 3 -7.120 -8.358 -0.401 29 HH21 ARG 3 HH21 ARG 3 -10.001 -6.582 -1.515 30 HH22 ARG 3 HH22 ARG 3 -9.314 -7.489 -0.210 31 H LEU 4 HN LEU 4 -3.692 -3.368 -3.547 32 HA LEU 4 HA LEU 4 -4.749 -0.860 -3.704 33 HB2 LEU 4 HB2 LEU 4 -2.008 -0.938 -2.866 34 HB3 LEU 4 HB1 LEU 4 -3.442 -0.599 -1.883 35 HG LEU 4 HG LEU 4 -2.589 -3.350 -2.663 36 HD11 LEU 4 HD11 LEU 4 -1.248 -1.548 -0.951 37 HD12 LEU 4 HD12 LEU 4 -0.904 -3.290 -1.289 38 HD13 LEU 4 HD13 LEU 4 -1.988 -2.833 0.097 39 HD21 LEU 4 HD21 LEU 4 -4.723 -3.742 -1.982 40 HD22 LEU 4 HD22 LEU 4 -4.810 -2.220 -1.003 41 HD23 LEU 4 HD23 LEU 4 -3.975 -3.677 -0.334 42 H SER 5 HN SER 5 -1.977 -2.463 -4.643 43 HA SER 5 HA SER 5 -0.162 -0.966 -5.368 44 HB2 SER 5 HB2 SER 5 0.750 -2.755 -6.211 45 HB3 SER 5 HB1 SER 5 -0.833 -3.515 -5.721 46 HG SER 5 HG SER 5 -0.235 -2.400 -8.297 47 H LYS 6 HN LYS 6 -3.011 -0.349 -6.987 48 HA LYS 6 HA LYS 6 -1.590 1.062 -9.082 49 HB2 LYS 6 HB2 LYS 6 -4.479 1.440 -8.047 50 HB3 LYS 6 HB1 LYS 6 -3.780 2.144 -9.547 51 HG2 LYS 6 HG2 LYS 6 -4.229 -0.863 -9.036 52 HG3 LYS 6 HG1 LYS 6 -5.313 0.203 -9.994 53 HD2 LYS 6 HD2 LYS 6 -3.410 0.686 -11.572 54 HD3 LYS 6 HD1 LYS 6 -2.361 -0.427 -10.627 55 HE2 LYS 6 HE2 LYS 6 -3.913 -2.338 -11.151 56 HE3 LYS 6 HE1 LYS 6 -4.961 -1.213 -12.112 57 HZ1 LYS 6 HZ1 LYS 6 -3.030 -0.752 -13.506 58 HZ2 LYS 6 HZ2 LYS 6 -3.463 -2.394 -13.519 59 HZ3 LYS 6 HZ3 LYS 6 -2.109 -1.879 -12.633 60 H PHE 7 HN PHE 7 -1.649 0.671 -5.838 61 HA PHE 7 HA PHE 7 -2.205 3.253 -4.826 62 HB2 PHE 7 HB2 PHE 7 -2.969 1.075 -4.073 63 HB3 PHE 7 HB1 PHE 7 -1.372 0.659 -3.511 64 HD1 PHE 7 HD1 PHE 7 -4.306 0.981 -2.468 65 HD2 PHE 7 HD2 PHE 7 -0.666 3.071 -2.296 66 HE1 PHE 7 HE1 PHE 7 -4.637 1.467 -0.148 67 HE2 PHE 7 HE2 PHE 7 -0.845 3.640 -0.165 68 HZ PHE 7 HZ PHE 7 -2.968 2.887 1.138 69 H PHE 8 HN PHE 8 0.058 0.650 -4.114 70 HA PHE 8 HA PHE 8 1.395 2.575 -2.534 71 HB2 PHE 8 HB2 PHE 8 3.038 0.493 -2.282 72 HB3 PHE 8 HB1 PHE 8 1.547 0.552 -1.308 73 HD1 PHE 8 HD1 PHE 8 3.565 -1.049 -3.265 74 HD2 PHE 8 HD2 PHE 8 -0.409 -0.421 -2.282 75 HE1 PHE 8 HE1 PHE 8 3.069 -3.063 -4.244 76 HE2 PHE 8 HE2 PHE 8 -0.954 -2.485 -3.304 77 HZ PHE 8 HZ PHE 8 0.792 -3.833 -4.252 78 H ARG 9 HN ARG 9 1.344 0.442 -4.984 79 HA ARG 9 HA ARG 9 3.965 0.721 -5.629 80 HB2 ARG 9 HB2 ARG 9 1.494 -0.449 -6.630 81 HB3 ARG 9 HB1 ARG 9 2.646 0.036 -7.946 82 HG2 ARG 9 HG2 ARG 9 3.465 -1.721 -5.580 83 HG3 ARG 9 HG1 ARG 9 2.723 -2.427 -7.051 84 HD2 ARG 9 HD2 ARG 9 5.279 -0.684 -7.026 85 HD3 ARG 9 HD1 ARG 9 5.270 -2.500 -7.070 86 HE ARG 9 HE ARG 9 4.560 -0.666 -9.293 87 HH11 ARG 9 HH11 ARG 9 4.372 -3.943 -7.896 88 HH12 ARG 9 HH12 ARG 9 4.077 -4.734 -9.407 89 HH21 ARG 9 HH21 ARG 9 4.160 -1.746 -11.342 90 HH22 ARG 9 HH22 ARG 9 3.955 -3.464 -11.398 91 H ASP 10 HN ASP 10 1.444 2.564 -5.295 92 HA ASP 10 HA ASP 10 2.367 4.123 -7.391 93 HB2 ASP 10 HB2 ASP 10 0.273 2.978 -7.602 94 HB3 ASP 10 HB1 ASP 10 -0.334 4.207 -6.434 95 H DPN 11 HN DPN 11 2.246 3.959 -4.049 96 HA DPN 11 HA DPN 11 1.688 6.815 -3.970 97 HB2 DPN 11 HB1 DPN 11 4.305 6.571 -2.978 98 HB3 DPN 11 HB2 DPN 11 3.771 7.529 -4.409 99 HD1 DPN 11 HD1 DPN 11 4.058 6.507 -6.653 100 HD2 DPN 11 HD2 DPN 11 4.889 4.762 -2.986 101 HE1 DPN 11 HE1 DPN 11 4.593 4.347 -7.707 102 HE2 DPN 11 HE2 DPN 11 5.397 2.764 -3.959 103 HZ DPN 11 HZ DPN 11 5.167 2.586 -6.157 104 H ILE 12 HN ILE 12 3.894 4.902 -2.028 105 HA ILE 12 HA ILE 12 3.395 6.365 0.249 106 HB ILE 12 HB ILE 12 2.798 3.979 1.363 107 HG12 ILE 12 HG12 ILE 12 0.954 3.015 0.033 108 HG13 ILE 12 HG11 ILE 12 1.310 4.206 -1.286 109 HG21 ILE 12 HG21 ILE 12 0.264 5.145 1.066 110 HG22 ILE 12 HG22 ILE 12 1.357 6.547 0.766 111 HG23 ILE 12 HG23 ILE 12 1.473 5.625 2.315 112 HD11 ILE 12 HD11 ILE 12 3.705 3.037 -0.347 113 HD12 ILE 12 HD12 ILE 12 3.024 3.079 -1.990 114 HD13 ILE 12 HD13 ILE 12 2.581 1.788 -0.785 115 H LEU 13 HN LEU 13 4.998 4.415 -1.877 116 HA LEU 13 HA LEU 13 6.944 3.400 0.062 117 HB2 LEU 13 HB2 LEU 13 6.819 2.868 -2.920 118 HB3 LEU 13 HB1 LEU 13 7.538 1.822 -1.643 119 HG LEU 13 HG LEU 13 4.655 2.505 -2.085 120 HD11 LEU 13 HD11 LEU 13 4.714 0.963 -3.682 121 HD12 LEU 13 HD12 LEU 13 5.054 -0.286 -2.406 122 HD13 LEU 13 HD13 LEU 13 6.414 0.526 -3.278 123 HD21 LEU 13 HD21 LEU 13 5.993 0.670 -0.009 124 HD22 LEU 13 HD22 LEU 13 4.212 0.852 -0.258 125 HD23 LEU 13 HD23 LEU 13 5.202 2.277 0.297 126 H GLN 14 HN GLN 14 6.577 4.904 -3.175 127 HA GLN 14 HA GLN 14 9.357 5.490 -3.364 128 HB2 GLN 14 HB2 GLN 14 7.101 7.145 -4.604 129 HB3 GLN 14 HB1 GLN 14 8.811 7.073 -5.167 130 HG2 GLN 14 HG2 GLN 14 6.658 4.975 -5.289 131 HG3 GLN 14 HG1 GLN 14 7.545 5.710 -6.669 132 HE21 GLN 14 HE21 GLN 14 7.287 3.229 -4.427 133 HE22 GLN 14 HE22 GLN 14 8.811 2.422 -4.673 134 H ARG 15 HN ARG 15 6.668 6.646 -1.670 135 HA ARG 15 HA ARG 15 8.119 9.127 -1.158 136 HB2 ARG 15 HB2 ARG 15 5.451 8.692 0.142 137 HB3 ARG 15 HB1 ARG 15 6.121 10.186 -0.590 138 HG2 ARG 15 HG2 ARG 15 5.235 9.738 -2.659 139 HG3 ARG 15 HG1 ARG 15 5.516 7.964 -2.516 140 HD2 ARG 15 HD2 ARG 15 3.079 8.424 -2.492 141 HD3 ARG 15 HD1 ARG 15 3.618 7.801 -0.871 142 HE ARG 15 HE ARG 15 3.194 9.967 0.054 143 HH11 ARG 15 HH11 ARG 15 2.957 9.991 -3.510 144 HH12 ARG 15 HH12 ARG 15 2.240 11.564 -3.603 145 HH21 ARG 15 HH21 ARG 15 2.217 12.102 -0.082 146 HH22 ARG 15 HH22 ARG 15 1.813 12.783 -1.622 147 H LYS 16 HN LYS 16 6.903 6.091 -0.011 148 HA LYS 16 HA LYS 16 7.292 4.861 1.701 149 HB2 LYS 16 HB2 LYS 16 8.965 7.158 2.786 150 HB3 LYS 16 HB1 LYS 16 8.803 5.575 3.603 151 HG2 LYS 16 HG2 LYS 16 9.980 6.006 0.791 152 HG3 LYS 16 HG1 LYS 16 10.944 5.810 2.297 153 HD2 LYS 16 HD2 LYS 16 9.856 3.546 2.644 154 HD3 LYS 16 HD1 LYS 16 9.004 3.749 1.073 155 HE2 LYS 16 HE2 LYS 16 11.216 3.872 -0.117 156 HE3 LYS 16 HE1 LYS 16 12.077 3.672 1.466 157 HZ1 LYS 16 HZ1 LYS 16 10.878 1.727 -0.217 158 HZ2 LYS 16 HZ2 LYS 16 10.227 1.642 1.350 159 HZ3 LYS 16 HZ3 LYS 16 11.906 1.531 1.119 160 H LYS 17 HN LYS 17 5.382 7.362 1.510 161 HA LYS 17 HA LYS 17 3.921 6.585 3.740 162 HB2 LYS 17 HB2 LYS 17 3.904 9.005 4.813 163 HB3 LYS 17 HB1 LYS 17 5.184 7.844 5.291 164 HG2 LYS 17 HG2 LYS 17 6.536 9.649 4.870 165 HG3 LYS 17 HG1 LYS 17 6.483 8.983 3.208 166 HD2 LYS 17 HD2 LYS 17 4.307 10.572 3.013 167 HD3 LYS 17 HD1 LYS 17 5.115 11.442 4.363 168 HE2 LYS 17 HE2 LYS 17 7.191 11.687 2.968 169 HE3 LYS 17 HE1 LYS 17 6.374 10.802 1.611 170 HZ1 LYS 17 HZ1 LYS 17 5.205 12.585 1.086 171 HZ2 LYS 17 HZ2 LYS 17 6.349 13.457 1.990 172 HZ3 LYS 17 HZ3 LYS 17 4.868 13.017 2.693 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 -0.957 -9.031 -6.620 2 H2 GLU 1 HT2 GLU 1 -2.563 -9.080 -6.063 3 H3 GLU 1 HT3 GLU 1 -1.743 -10.524 -6.424 4 HA GLU 1 HA GLU 1 -1.335 -10.637 -4.280 5 HB2 GLU 1 HB2 GLU 1 0.892 -9.994 -5.291 6 HB3 GLU 1 HB1 GLU 1 0.519 -8.271 -4.932 7 HG2 GLU 1 HG2 GLU 1 0.474 -8.764 -2.474 8 HG3 GLU 1 HG1 GLU 1 0.798 -10.511 -2.811 9 H MET 2 HN MET 2 -1.860 -7.190 -5.224 10 HA MET 2 HA MET 2 -3.357 -6.909 -2.744 11 HB2 MET 2 HB2 MET 2 -0.979 -5.305 -3.571 12 HB3 MET 2 HB1 MET 2 -2.403 -4.339 -3.056 13 HG2 MET 2 HG2 MET 2 -0.542 -6.080 -1.458 14 HG3 MET 2 HG1 MET 2 -1.336 -4.527 -1.055 15 HE1 MET 2 HE1 MET 2 -4.559 -4.862 -0.004 16 HE2 MET 2 HE2 MET 2 -4.919 -5.888 -1.437 17 HE3 MET 2 HE3 MET 2 -3.770 -4.519 -1.581 18 H ARG 3 HN ARG 3 -4.367 -4.486 -2.944 19 HA ARG 3 HA ARG 3 -5.697 -4.566 -5.463 20 HB2 ARG 3 HB2 ARG 3 -6.861 -5.383 -3.250 21 HB3 ARG 3 HB1 ARG 3 -6.801 -3.621 -2.848 22 HG2 ARG 3 HG2 ARG 3 -7.962 -4.413 -5.532 23 HG3 ARG 3 HG1 ARG 3 -8.945 -4.752 -4.060 24 HD2 ARG 3 HD2 ARG 3 -7.704 -2.069 -3.918 25 HD3 ARG 3 HD1 ARG 3 -8.737 -2.249 -5.411 26 HE ARG 3 HE ARG 3 -10.183 -3.339 -3.175 27 HH11 ARG 3 HH11 ARG 3 -8.904 -0.263 -4.432 28 HH12 ARG 3 HH12 ARG 3 -10.127 0.724 -3.702 29 HH21 ARG 3 HH21 ARG 3 -11.848 -2.000 -2.180 30 HH22 ARG 3 HH22 ARG 3 -11.830 -0.282 -2.399 31 H LEU 4 HN LEU 4 -4.227 -3.013 -2.878 32 HA LEU 4 HA LEU 4 -5.121 -0.439 -3.419 33 HB2 LEU 4 HB2 LEU 4 -2.468 -0.601 -2.347 34 HB3 LEU 4 HB1 LEU 4 -3.917 0.069 -1.586 35 HG LEU 4 HG LEU 4 -3.313 -2.833 -1.743 36 HD11 LEU 4 HD11 LEU 4 -2.898 -1.823 0.915 37 HD12 LEU 4 HD12 LEU 4 -1.966 -0.813 -0.275 38 HD13 LEU 4 HD13 LEU 4 -1.733 -2.602 -0.236 39 HD21 LEU 4 HD21 LEU 4 -4.946 -2.676 0.382 40 HD22 LEU 4 HD22 LEU 4 -5.588 -2.761 -1.311 41 HD23 LEU 4 HD23 LEU 4 -5.486 -1.168 -0.455 42 H SER 5 HN SER 5 -2.449 -2.391 -3.828 43 HA SER 5 HA SER 5 -0.451 -1.176 -4.621 44 HB2 SER 5 HB2 SER 5 0.355 -3.157 -5.058 45 HB3 SER 5 HB1 SER 5 -1.315 -3.674 -4.552 46 HG SER 5 HG SER 5 -0.454 -3.157 -7.239 47 H LYS 6 HN LYS 6 -3.114 -0.672 -6.581 48 HA LYS 6 HA LYS 6 -1.432 0.226 -8.758 49 HB2 LYS 6 HB2 LYS 6 -4.352 0.913 -8.006 50 HB3 LYS 6 HB1 LYS 6 -3.511 1.421 -9.513 51 HG2 LYS 6 HG2 LYS 6 -3.413 -0.862 -10.341 52 HG3 LYS 6 HG1 LYS 6 -3.955 -1.529 -8.761 53 HD2 LYS 6 HD2 LYS 6 -5.843 -1.584 -10.282 54 HD3 LYS 6 HD1 LYS 6 -6.152 -0.310 -9.053 55 HE2 LYS 6 HE2 LYS 6 -5.490 1.464 -10.681 56 HE3 LYS 6 HE1 LYS 6 -5.084 0.200 -11.916 57 HZ1 LYS 6 HZ1 LYS 6 -7.182 0.096 -12.474 58 HZ2 LYS 6 HZ2 LYS 6 -7.523 1.393 -11.431 59 HZ3 LYS 6 HZ3 LYS 6 -7.687 -0.206 -10.882 60 H PHE 7 HN PHE 7 -1.755 0.447 -5.505 61 HA PHE 7 HA PHE 7 -2.139 3.205 -5.022 62 HB2 PHE 7 HB2 PHE 7 -3.147 1.274 -3.957 63 HB3 PHE 7 HB1 PHE 7 -1.638 0.839 -3.201 64 HD1 PHE 7 HD1 PHE 7 -4.582 1.565 -2.465 65 HD2 PHE 7 HD2 PHE 7 -0.799 3.388 -2.385 66 HE1 PHE 7 HE1 PHE 7 -5.016 2.494 -0.304 67 HE2 PHE 7 HE2 PHE 7 -1.066 4.346 -0.408 68 HZ PHE 7 HZ PHE 7 -3.321 4.001 0.835 69 H PHE 8 HN PHE 8 -0.179 0.618 -3.660 70 HA PHE 8 HA PHE 8 1.215 2.698 -2.347 71 HB2 PHE 8 HB2 PHE 8 2.628 0.575 -1.574 72 HB3 PHE 8 HB1 PHE 8 1.080 0.937 -0.767 73 HD1 PHE 8 HD1 PHE 8 3.077 -1.146 -2.242 74 HD2 PHE 8 HD2 PHE 8 -0.887 -0.057 -1.698 75 HE1 PHE 8 HE1 PHE 8 2.473 -3.265 -2.877 76 HE2 PHE 8 HE2 PHE 8 -1.538 -2.233 -2.373 77 HZ PHE 8 HZ PHE 8 0.143 -3.854 -2.918 78 H ARG 9 HN ARG 9 1.147 0.152 -4.367 79 HA ARG 9 HA ARG 9 3.822 0.099 -4.811 80 HB2 ARG 9 HB2 ARG 9 1.330 -1.043 -5.799 81 HB3 ARG 9 HB1 ARG 9 2.624 -0.918 -7.067 82 HG2 ARG 9 HG2 ARG 9 3.192 -2.191 -4.354 83 HG3 ARG 9 HG1 ARG 9 2.342 -3.139 -5.619 84 HD2 ARG 9 HD2 ARG 9 5.012 -1.695 -6.152 85 HD3 ARG 9 HD1 ARG 9 4.930 -3.397 -5.513 86 HE ARG 9 HE ARG 9 3.212 -3.277 -7.786 87 HH11 ARG 9 HH11 ARG 9 6.647 -2.843 -6.947 88 HH12 ARG 9 HH12 ARG 9 7.248 -3.371 -8.484 89 HH21 ARG 9 HH21 ARG 9 4.030 -3.995 -9.875 90 HH22 ARG 9 HH22 ARG 9 5.733 -4.037 -10.176 91 H ASP 10 HN ASP 10 1.462 2.156 -5.045 92 HA ASP 10 HA ASP 10 2.673 3.219 -7.298 93 HB2 ASP 10 HB2 ASP 10 0.504 2.218 -7.486 94 HB3 ASP 10 HB1 ASP 10 -0.072 3.685 -6.616 95 H DPN 11 HN DPN 11 2.299 3.692 -4.005 96 HA DPN 11 HA DPN 11 1.990 6.543 -4.480 97 HB2 DPN 11 HB1 DPN 11 4.499 6.312 -3.261 98 HB3 DPN 11 HB2 DPN 11 4.147 7.009 -4.884 99 HD1 DPN 11 HD1 DPN 11 4.511 5.561 -6.862 100 HD2 DPN 11 HD2 DPN 11 4.924 4.493 -2.878 101 HE1 DPN 11 HE1 DPN 11 4.923 3.207 -7.451 102 HE2 DPN 11 HE2 DPN 11 5.315 2.311 -3.421 103 HZ DPN 11 HZ DPN 11 5.225 1.734 -5.561 104 H ILE 12 HN ILE 12 3.889 4.868 -2.049 105 HA ILE 12 HA ILE 12 3.373 6.755 -0.119 106 HB ILE 12 HB ILE 12 2.472 4.680 1.351 107 HG12 ILE 12 HG12 ILE 12 0.644 3.631 0.065 108 HG13 ILE 12 HG11 ILE 12 1.197 4.523 -1.412 109 HG21 ILE 12 HG21 ILE 12 0.090 5.980 0.603 110 HG22 ILE 12 HG22 ILE 12 1.347 7.206 0.191 111 HG23 ILE 12 HG23 ILE 12 1.230 6.562 1.874 112 HD11 ILE 12 HD11 ILE 12 2.846 3.158 -1.759 113 HD12 ILE 12 HD12 ILE 12 2.208 2.149 -0.379 114 HD13 ILE 12 HD13 ILE 12 3.403 3.358 -0.082 115 H LEU 13 HN LEU 13 4.926 4.318 -1.716 116 HA LEU 13 HA LEU 13 6.612 3.519 0.542 117 HB2 LEU 13 HB2 LEU 13 6.660 2.474 -2.303 118 HB3 LEU 13 HB1 LEU 13 7.185 1.620 -0.807 119 HG LEU 13 HG LEU 13 4.418 2.441 -1.611 120 HD11 LEU 13 HD11 LEU 13 4.456 0.639 -2.906 121 HD12 LEU 13 HD12 LEU 13 4.569 -0.382 -1.406 122 HD13 LEU 13 HD13 LEU 13 6.066 0.139 -2.273 123 HD21 LEU 13 HD21 LEU 13 4.770 2.609 0.811 124 HD22 LEU 13 HD22 LEU 13 5.428 0.912 0.862 125 HD23 LEU 13 HD23 LEU 13 3.695 1.192 0.434 126 H GLN 14 HN GLN 14 6.632 4.446 -2.918 127 HA GLN 14 HA GLN 14 9.463 4.760 -2.964 128 HB2 GLN 14 HB2 GLN 14 7.465 6.327 -4.672 129 HB3 GLN 14 HB1 GLN 14 9.196 6.025 -5.060 130 HG2 GLN 14 HG2 GLN 14 6.871 4.116 -5.016 131 HG3 GLN 14 HG1 GLN 14 7.937 4.512 -6.408 132 HE21 GLN 14 HE21 GLN 14 7.254 2.514 -3.805 133 HE22 GLN 14 HE22 GLN 14 8.707 1.553 -3.756 134 H ARG 15 HN ARG 15 6.756 6.431 -1.788 135 HA ARG 15 HA ARG 15 8.390 8.844 -1.592 136 HB2 ARG 15 HB2 ARG 15 5.612 8.856 -0.459 137 HB3 ARG 15 HB1 ARG 15 6.460 10.138 -1.384 138 HG2 ARG 15 HG2 ARG 15 5.677 9.392 -3.404 139 HG3 ARG 15 HG1 ARG 15 5.797 7.656 -2.933 140 HD2 ARG 15 HD2 ARG 15 3.408 8.306 -3.192 141 HD3 ARG 15 HD1 ARG 15 3.787 7.913 -1.456 142 HE ARG 15 HE ARG 15 3.487 10.223 -0.913 143 HH11 ARG 15 HH11 ARG 15 3.511 9.702 -4.446 144 HH12 ARG 15 HH12 ARG 15 2.946 11.292 -4.836 145 HH21 ARG 15 HH21 ARG 15 2.719 12.378 -1.453 146 HH22 ARG 15 HH22 ARG 15 2.490 12.838 -3.106 147 H LYS 16 HN LYS 16 6.915 6.139 -0.070 148 HA LYS 16 HA LYS 16 7.080 5.194 1.845 149 HB2 LYS 16 HB2 LYS 16 9.097 7.390 2.299 150 HB3 LYS 16 HB1 LYS 16 8.515 6.481 3.726 151 HG2 LYS 16 HG2 LYS 16 10.172 4.997 3.253 152 HG3 LYS 16 HG1 LYS 16 9.089 4.429 1.933 153 HD2 LYS 16 HD2 LYS 16 11.126 4.808 0.808 154 HD3 LYS 16 HD1 LYS 16 10.197 6.313 0.481 155 HE2 LYS 16 HE2 LYS 16 11.450 7.515 2.271 156 HE3 LYS 16 HE1 LYS 16 12.334 5.990 2.702 157 HZ1 LYS 16 HZ1 LYS 16 13.287 7.774 1.050 158 HZ2 LYS 16 HZ2 LYS 16 12.401 6.874 -0.086 159 HZ3 LYS 16 HZ3 LYS 16 13.587 6.113 0.862 160 H LYS 17 HN LYS 17 5.401 7.774 1.146 161 HA LYS 17 HA LYS 17 3.775 7.468 3.383 162 HB2 LYS 17 HB2 LYS 17 3.871 10.027 4.037 163 HB3 LYS 17 HB1 LYS 17 5.057 8.897 4.766 164 HG2 LYS 17 HG2 LYS 17 6.522 10.544 4.119 165 HG3 LYS 17 HG1 LYS 17 6.516 9.587 2.604 166 HD2 LYS 17 HD2 LYS 17 4.458 11.206 1.977 167 HD3 LYS 17 HD1 LYS 17 5.213 12.271 3.214 168 HE2 LYS 17 HE2 LYS 17 7.394 12.178 1.958 169 HE3 LYS 17 HE1 LYS 17 6.615 11.116 0.710 170 HZ1 LYS 17 HZ1 LYS 17 6.693 13.830 0.722 171 HZ2 LYS 17 HZ2 LYS 17 5.116 13.497 1.257 172 HZ3 LYS 17 HZ3 LYS 17 5.667 12.854 -0.214 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 -0.953 -9.074 -6.767 2 H2 GLU 1 HT2 GLU 1 -2.549 -9.135 -6.187 3 H3 GLU 1 HT3 GLU 1 -1.723 -10.573 -6.556 4 HA GLU 1 HA GLU 1 -1.271 -10.679 -4.422 5 HB2 GLU 1 HB2 GLU 1 0.552 -8.370 -5.295 6 HB3 GLU 1 HB1 GLU 1 0.708 -9.177 -3.693 7 HG2 GLU 1 HG2 GLU 1 1.209 -11.353 -4.770 8 HG3 GLU 1 HG1 GLU 1 0.917 -10.645 -6.408 9 H MET 2 HN MET 2 -1.851 -7.231 -5.339 10 HA MET 2 HA MET 2 -3.340 -6.994 -2.852 11 HB2 MET 2 HB2 MET 2 -0.975 -5.360 -3.657 12 HB3 MET 2 HB1 MET 2 -2.406 -4.412 -3.127 13 HG2 MET 2 HG2 MET 2 -0.531 -6.163 -1.557 14 HG3 MET 2 HG1 MET 2 -1.335 -4.621 -1.130 15 HE1 MET 2 HE1 MET 2 -3.770 -4.624 -1.653 16 HE2 MET 2 HE2 MET 2 -4.553 -4.994 -0.080 17 HE3 MET 2 HE3 MET 2 -4.910 -6.005 -1.527 18 H ARG 3 HN ARG 3 -4.367 -4.575 -3.014 19 HA ARG 3 HA ARG 3 -5.702 -4.628 -5.534 20 HB2 ARG 3 HB2 ARG 3 -6.856 -5.488 -3.332 21 HB3 ARG 3 HB1 ARG 3 -6.807 -3.733 -2.901 22 HG2 ARG 3 HG2 ARG 3 -7.967 -4.481 -5.596 23 HG3 ARG 3 HG1 ARG 3 -8.945 -4.861 -4.131 24 HD2 ARG 3 HD2 ARG 3 -7.721 -2.168 -3.945 25 HD3 ARG 3 HD1 ARG 3 -8.772 -2.331 -5.427 26 HE ARG 3 HE ARG 3 -10.185 -3.476 -3.202 27 HH11 ARG 3 HH11 ARG 3 -8.925 -0.361 -4.381 28 HH12 ARG 3 HH12 ARG 3 -10.139 0.602 -3.604 29 HH21 ARG 3 HH21 ARG 3 -11.838 -2.169 -2.145 30 HH22 ARG 3 HH22 ARG 3 -11.823 -0.446 -2.311 31 H LEU 4 HN LEU 4 -4.240 -3.103 -2.927 32 HA LEU 4 HA LEU 4 -5.156 -0.528 -3.430 33 HB2 LEU 4 HB2 LEU 4 -2.502 -0.684 -2.360 34 HB3 LEU 4 HB1 LEU 4 -3.956 -0.038 -1.590 35 HG LEU 4 HG LEU 4 -3.328 -2.932 -1.790 36 HD11 LEU 4 HD11 LEU 4 -1.994 -0.924 -0.292 37 HD12 LEU 4 HD12 LEU 4 -1.750 -2.712 -0.279 38 HD13 LEU 4 HD13 LEU 4 -2.921 -1.951 0.884 39 HD21 LEU 4 HD21 LEU 4 -4.960 -2.820 0.338 40 HD22 LEU 4 HD22 LEU 4 -5.602 -2.887 -1.356 41 HD23 LEU 4 HD23 LEU 4 -5.514 -1.305 -0.477 42 H SER 5 HN SER 5 -2.468 -2.453 -3.869 43 HA SER 5 HA SER 5 -0.479 -1.208 -4.643 44 HB2 SER 5 HB2 SER 5 0.342 -3.178 -5.108 45 HB3 SER 5 HB1 SER 5 -1.324 -3.716 -4.613 46 HG SER 5 HG SER 5 -0.464 -3.149 -7.290 47 H LYS 6 HN LYS 6 -3.152 -0.703 -6.605 48 HA LYS 6 HA LYS 6 -1.480 0.245 -8.764 49 HB2 LYS 6 HB2 LYS 6 -4.401 0.879 -7.974 50 HB3 LYS 6 HB1 LYS 6 -3.583 1.432 -9.477 51 HG2 LYS 6 HG2 LYS 6 -3.369 -0.911 -10.263 52 HG3 LYS 6 HG1 LYS 6 -4.105 -1.514 -8.737 53 HD2 LYS 6 HD2 LYS 6 -6.203 -0.285 -9.257 54 HD3 LYS 6 HD1 LYS 6 -5.480 0.332 -10.782 55 HE2 LYS 6 HE2 LYS 6 -5.263 -2.024 -11.637 56 HE3 LYS 6 HE1 LYS 6 -5.989 -2.644 -10.095 57 HZ1 LYS 6 HZ1 LYS 6 -8.012 -1.919 -10.674 58 HZ2 LYS 6 HZ2 LYS 6 -7.394 -2.125 -12.242 59 HZ3 LYS 6 HZ3 LYS 6 -7.454 -0.576 -11.549 60 H PHE 7 HN PHE 7 -1.796 0.415 -5.505 61 HA PHE 7 HA PHE 7 -2.199 3.163 -4.979 62 HB2 PHE 7 HB2 PHE 7 -3.194 1.209 -3.944 63 HB3 PHE 7 HB1 PHE 7 -1.680 0.773 -3.197 64 HD1 PHE 7 HD1 PHE 7 -4.629 1.468 -2.445 65 HD2 PHE 7 HD2 PHE 7 -0.857 3.314 -2.341 66 HE1 PHE 7 HE1 PHE 7 -5.066 2.357 -0.269 67 HE2 PHE 7 HE2 PHE 7 -1.128 4.235 -0.347 68 HZ PHE 7 HZ PHE 7 -3.378 3.855 0.893 69 H PHE 8 HN PHE 8 -0.220 0.569 -3.657 70 HA PHE 8 HA PHE 8 1.164 2.641 -2.319 71 HB2 PHE 8 HB2 PHE 8 2.585 0.519 -1.568 72 HB3 PHE 8 HB1 PHE 8 1.037 0.865 -0.757 73 HD1 PHE 8 HD1 PHE 8 3.047 -1.190 -2.252 74 HD2 PHE 8 HD2 PHE 8 -0.926 -0.136 -1.705 75 HE1 PHE 8 HE1 PHE 8 2.461 -3.302 -2.917 76 HE2 PHE 8 HE2 PHE 8 -1.559 -2.309 -2.412 77 HZ PHE 8 HZ PHE 8 0.137 -3.908 -2.975 78 H ARG 9 HN ARG 9 1.112 0.112 -4.363 79 HA ARG 9 HA ARG 9 3.786 0.089 -4.810 80 HB2 ARG 9 HB2 ARG 9 1.303 -1.059 -5.816 81 HB3 ARG 9 HB1 ARG 9 2.595 -0.906 -7.081 82 HG2 ARG 9 HG2 ARG 9 3.163 -2.215 -4.385 83 HG3 ARG 9 HG1 ARG 9 2.336 -3.150 -5.674 84 HD2 ARG 9 HD2 ARG 9 5.000 -1.670 -6.144 85 HD3 ARG 9 HD1 ARG 9 4.920 -3.391 -5.557 86 HE ARG 9 HE ARG 9 3.230 -3.216 -7.845 87 HH11 ARG 9 HH11 ARG 9 6.651 -2.773 -6.957 88 HH12 ARG 9 HH12 ARG 9 7.274 -3.245 -8.503 89 HH21 ARG 9 HH21 ARG 9 4.076 -3.858 -9.948 90 HH22 ARG 9 HH22 ARG 9 5.784 -3.872 -10.232 91 H ASP 10 HN ASP 10 1.416 2.136 -5.016 92 HA ASP 10 HA ASP 10 2.609 3.233 -7.260 93 HB2 ASP 10 HB2 ASP 10 0.415 2.201 -7.367 94 HB3 ASP 10 HB1 ASP 10 -0.129 3.733 -6.589 95 H DPN 11 HN DPN 11 2.240 3.669 -3.959 96 HA DPN 11 HA DPN 11 1.920 6.528 -4.409 97 HB2 DPN 11 HB1 DPN 11 4.428 6.276 -3.166 98 HB3 DPN 11 HB2 DPN 11 4.085 7.008 -4.777 99 HD1 DPN 11 HD1 DPN 11 4.439 5.586 -6.784 100 HD2 DPN 11 HD2 DPN 11 4.864 4.457 -2.818 101 HE1 DPN 11 HE1 DPN 11 4.856 3.243 -7.410 102 HE2 DPN 11 HE2 DPN 11 5.265 2.283 -3.394 103 HZ DPN 11 HZ DPN 11 5.172 1.740 -5.547 104 H ILE 12 HN ILE 12 3.823 4.849 -2.007 105 HA ILE 12 HA ILE 12 3.243 6.695 -0.044 106 HB ILE 12 HB ILE 12 2.393 4.574 1.393 107 HG12 ILE 12 HG12 ILE 12 0.597 3.501 0.084 108 HG13 ILE 12 HG11 ILE 12 1.141 4.425 -1.379 109 HG21 ILE 12 HG21 ILE 12 0.873 6.207 1.939 110 HG22 ILE 12 HG22 ILE 12 0.024 5.918 0.374 111 HG23 ILE 12 HG23 ILE 12 1.346 7.136 0.466 112 HD11 ILE 12 HD11 ILE 12 3.365 3.313 -0.056 113 HD12 ILE 12 HD12 ILE 12 2.803 3.090 -1.728 114 HD13 ILE 12 HD13 ILE 12 2.195 2.062 -0.356 115 H LEU 13 HN LEU 13 4.835 4.257 -1.655 116 HA LEU 13 HA LEU 13 6.572 3.495 0.573 117 HB2 LEU 13 HB2 LEU 13 6.607 2.438 -2.267 118 HB3 LEU 13 HB1 LEU 13 7.142 1.595 -0.767 119 HG LEU 13 HG LEU 13 4.375 2.404 -1.563 120 HD11 LEU 13 HD11 LEU 13 4.425 0.614 -2.873 121 HD12 LEU 13 HD12 LEU 13 4.505 -0.410 -1.371 122 HD13 LEU 13 HD13 LEU 13 6.021 0.092 -2.217 123 HD21 LEU 13 HD21 LEU 13 5.404 0.887 0.912 124 HD22 LEU 13 HD22 LEU 13 3.666 1.145 0.492 125 HD23 LEU 13 HD23 LEU 13 4.734 2.577 0.864 126 H GLN 14 HN GLN 14 6.575 4.404 -2.907 127 HA GLN 14 HA GLN 14 9.408 4.660 -2.967 128 HB2 GLN 14 HB2 GLN 14 7.453 6.307 -4.648 129 HB3 GLN 14 HB1 GLN 14 9.173 5.952 -5.046 130 HG2 GLN 14 HG2 GLN 14 6.801 4.105 -4.982 131 HG3 GLN 14 HG1 GLN 14 7.837 4.495 -6.397 132 HE21 GLN 14 HE21 GLN 14 7.188 2.479 -3.791 133 HE22 GLN 14 HE22 GLN 14 8.624 1.492 -3.793 134 H ARG 15 HN ARG 15 6.794 6.346 -1.695 135 HA ARG 15 HA ARG 15 8.452 8.738 -1.513 136 HB2 ARG 15 HB2 ARG 15 5.699 8.747 -0.283 137 HB3 ARG 15 HB1 ARG 15 6.531 10.038 -1.218 138 HG2 ARG 15 HG2 ARG 15 5.695 9.311 -3.230 139 HG3 ARG 15 HG1 ARG 15 5.781 7.572 -2.763 140 HD2 ARG 15 HD2 ARG 15 3.398 8.390 -2.986 141 HD3 ARG 15 HD1 ARG 15 3.803 7.803 -1.315 142 HE ARG 15 HE ARG 15 3.573 10.031 -0.516 143 HH11 ARG 15 HH11 ARG 15 3.664 9.946 -4.085 144 HH12 ARG 15 HH12 ARG 15 3.211 11.604 -4.287 145 HH21 ARG 15 HH21 ARG 15 2.957 12.282 -0.801 146 HH22 ARG 15 HH22 ARG 15 2.803 12.954 -2.390 147 H LYS 16 HN LYS 16 6.876 6.060 0.122 148 HA LYS 16 HA LYS 16 6.835 5.290 2.162 149 HB2 LYS 16 HB2 LYS 16 9.104 7.257 2.690 150 HB3 LYS 16 HB1 LYS 16 8.572 6.008 3.851 151 HG2 LYS 16 HG2 LYS 16 9.795 5.487 1.076 152 HG3 LYS 16 HG1 LYS 16 10.665 5.369 2.641 153 HD2 LYS 16 HD2 LYS 16 9.021 3.586 3.376 154 HD3 LYS 16 HD1 LYS 16 8.262 3.660 1.748 155 HE2 LYS 16 HE2 LYS 16 10.436 2.963 0.696 156 HE3 LYS 16 HE1 LYS 16 11.203 2.890 2.337 157 HZ1 LYS 16 HZ1 LYS 16 8.817 1.430 2.392 158 HZ2 LYS 16 HZ2 LYS 16 10.415 0.879 2.545 159 HZ3 LYS 16 HZ3 LYS 16 9.686 0.953 1.014 160 H LYS 17 HN LYS 17 5.455 7.641 1.194 161 HA LYS 17 HA LYS 17 4.225 9.326 1.793 162 HB2 LYS 17 HB2 LYS 17 3.917 7.371 3.966 163 HB3 LYS 17 HB1 LYS 17 3.716 9.046 4.593 164 HG2 LYS 17 HG2 LYS 17 2.204 7.730 2.280 165 HG3 LYS 17 HG1 LYS 17 1.537 8.211 3.879 166 HD2 LYS 17 HD2 LYS 17 1.045 10.267 3.050 167 HD3 LYS 17 HD1 LYS 17 2.788 10.549 2.716 168 HE2 LYS 17 HE2 LYS 17 1.829 10.835 0.575 169 HE3 LYS 17 HE1 LYS 17 2.327 9.090 0.522 170 HZ1 LYS 17 HZ1 LYS 17 0.208 8.910 -0.134 171 HZ2 LYS 17 HZ2 LYS 17 -0.329 10.301 0.679 172 HZ3 LYS 17 HZ3 LYS 17 -0.093 8.856 1.537 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 -0.339 -11.474 -4.281 2 H2 GLU 1 HT2 GLU 1 -0.584 -10.513 -2.900 3 H3 GLU 1 HT3 GLU 1 0.739 -10.209 -3.924 4 HA GLU 1 HA GLU 1 -0.430 -9.027 -5.336 5 HB2 GLU 1 HB2 GLU 1 -2.708 -9.649 -6.142 6 HB3 GLU 1 HB1 GLU 1 -1.586 -11.054 -6.203 7 HG2 GLU 1 HG2 GLU 1 -2.532 -11.886 -4.002 8 HG3 GLU 1 HG1 GLU 1 -3.706 -10.511 -4.012 9 H MET 2 HN MET 2 -1.909 -7.168 -5.261 10 HA MET 2 HA MET 2 -3.362 -6.922 -2.759 11 HB2 MET 2 HB2 MET 2 -0.993 -5.297 -3.562 12 HB3 MET 2 HB1 MET 2 -2.420 -4.338 -3.045 13 HG2 MET 2 HG2 MET 2 -0.565 -6.095 -1.456 14 HG3 MET 2 HG1 MET 2 -1.355 -4.542 -1.043 15 HE1 MET 2 HE1 MET 2 -4.941 -5.888 -1.446 16 HE2 MET 2 HE2 MET 2 -3.786 -4.521 -1.570 17 HE3 MET 2 HE3 MET 2 -4.582 -4.877 -0.000 18 H ARG 3 HN ARG 3 -4.374 -4.485 -2.936 19 HA ARG 3 HA ARG 3 -5.718 -4.555 -5.449 20 HB2 ARG 3 HB2 ARG 3 -6.869 -5.378 -3.230 21 HB3 ARG 3 HB1 ARG 3 -6.807 -3.617 -2.824 22 HG2 ARG 3 HG2 ARG 3 -7.983 -4.401 -5.503 23 HG3 ARG 3 HG1 ARG 3 -8.957 -4.744 -4.027 24 HD2 ARG 3 HD2 ARG 3 -7.715 -2.062 -3.883 25 HD3 ARG 3 HD1 ARG 3 -8.753 -2.236 -5.373 26 HE ARG 3 HE ARG 3 -10.188 -3.331 -3.130 27 HH11 ARG 3 HH11 ARG 3 -8.925 -0.255 -4.398 28 HH12 ARG 3 HH12 ARG 3 -10.148 0.730 -3.666 29 HH21 ARG 3 HH21 ARG 3 -11.855 -1.995 -2.131 30 HH22 ARG 3 HH22 ARG 3 -11.841 -0.278 -2.354 31 H LEU 4 HN LEU 4 -4.234 -3.014 -2.865 32 HA LEU 4 HA LEU 4 -5.124 -0.435 -3.398 33 HB2 LEU 4 HB2 LEU 4 -2.471 -0.605 -2.333 34 HB3 LEU 4 HB1 LEU 4 -3.915 0.066 -1.567 35 HG LEU 4 HG LEU 4 -3.318 -2.837 -1.731 36 HD11 LEU 4 HD11 LEU 4 -1.736 -2.613 -0.225 37 HD12 LEU 4 HD12 LEU 4 -2.897 -1.827 0.929 38 HD13 LEU 4 HD13 LEU 4 -1.961 -0.823 -0.264 39 HD21 LEU 4 HD21 LEU 4 -5.485 -1.170 -0.434 40 HD22 LEU 4 HD22 LEU 4 -4.945 -2.681 0.398 41 HD23 LEU 4 HD23 LEU 4 -5.593 -2.759 -1.294 42 H SER 5 HN SER 5 -2.457 -2.393 -3.816 43 HA SER 5 HA SER 5 -0.458 -1.181 -4.612 44 HB2 SER 5 HB2 SER 5 0.342 -3.164 -5.049 45 HB3 SER 5 HB1 SER 5 -1.330 -3.679 -4.546 46 HG SER 5 HG SER 5 -0.471 -3.155 -7.232 47 H LYS 6 HN LYS 6 -3.124 -0.670 -6.563 48 HA LYS 6 HA LYS 6 -1.445 0.225 -8.745 49 HB2 LYS 6 HB2 LYS 6 -4.363 0.918 -7.987 50 HB3 LYS 6 HB1 LYS 6 -3.523 1.423 -9.496 51 HG2 LYS 6 HG2 LYS 6 -3.438 -0.857 -10.326 52 HG3 LYS 6 HG1 LYS 6 -3.966 -1.526 -8.744 53 HD2 LYS 6 HD2 LYS 6 -5.879 -1.591 -10.215 54 HD3 LYS 6 HD1 LYS 6 -6.163 -0.276 -9.025 55 HE2 LYS 6 HE2 LYS 6 -6.842 0.527 -11.250 56 HE3 LYS 6 HE1 LYS 6 -5.321 1.398 -10.791 57 HZ1 LYS 6 HZ1 LYS 6 -4.709 -1.027 -12.105 58 HZ2 LYS 6 HZ2 LYS 6 -4.348 0.573 -12.550 59 HZ3 LYS 6 HZ3 LYS 6 -5.811 -0.136 -13.040 60 H PHE 7 HN PHE 7 -1.761 0.444 -5.491 61 HA PHE 7 HA PHE 7 -2.136 3.203 -5.006 62 HB2 PHE 7 HB2 PHE 7 -3.148 1.275 -3.940 63 HB3 PHE 7 HB1 PHE 7 -1.638 0.835 -3.188 64 HD1 PHE 7 HD1 PHE 7 -4.578 1.565 -2.445 65 HD2 PHE 7 HD2 PHE 7 -0.792 3.383 -2.373 66 HE1 PHE 7 HE1 PHE 7 -5.006 2.494 -0.283 67 HE2 PHE 7 HE2 PHE 7 -1.053 4.341 -0.396 68 HZ PHE 7 HZ PHE 7 -3.306 3.999 0.854 69 H PHE 8 HN PHE 8 -0.181 0.611 -3.649 70 HA PHE 8 HA PHE 8 1.221 2.684 -2.337 71 HB2 PHE 8 HB2 PHE 8 2.630 0.559 -1.570 72 HB3 PHE 8 HB1 PHE 8 1.086 0.924 -0.757 73 HD1 PHE 8 HD1 PHE 8 3.074 -1.163 -2.232 74 HD2 PHE 8 HD2 PHE 8 -0.886 -0.065 -1.689 75 HE1 PHE 8 HE1 PHE 8 2.466 -3.280 -2.869 76 HE2 PHE 8 HE2 PHE 8 -1.542 -2.239 -2.364 77 HZ PHE 8 HZ PHE 8 0.135 -3.863 -2.910 78 H ARG 9 HN ARG 9 1.142 0.140 -4.358 79 HA ARG 9 HA ARG 9 3.816 0.081 -4.807 80 HB2 ARG 9 HB2 ARG 9 1.318 -1.055 -5.790 81 HB3 ARG 9 HB1 ARG 9 2.612 -0.935 -7.059 82 HG2 ARG 9 HG2 ARG 9 3.189 -2.202 -4.346 83 HG3 ARG 9 HG1 ARG 9 2.320 -3.152 -5.598 84 HD2 ARG 9 HD2 ARG 9 4.991 -1.727 -6.170 85 HD3 ARG 9 HD1 ARG 9 4.910 -3.423 -5.515 86 HE ARG 9 HE ARG 9 3.168 -3.312 -7.770 87 HH11 ARG 9 HH11 ARG 9 6.614 -2.896 -6.971 88 HH12 ARG 9 HH12 ARG 9 7.196 -3.442 -8.508 89 HH21 ARG 9 HH21 ARG 9 3.959 -4.056 -9.861 90 HH22 ARG 9 HH22 ARG 9 5.660 -4.113 -10.179 91 H ASP 10 HN ASP 10 1.461 2.146 -5.036 92 HA ASP 10 HA ASP 10 2.669 3.202 -7.295 93 HB2 ASP 10 HB2 ASP 10 0.495 2.211 -7.472 94 HB3 ASP 10 HB1 ASP 10 -0.070 3.683 -6.602 95 H DPN 11 HN DPN 11 2.306 3.679 -4.001 96 HA DPN 11 HA DPN 11 2.014 6.534 -4.482 97 HB2 DPN 11 HB1 DPN 11 4.521 6.275 -3.248 98 HB3 DPN 11 HB2 DPN 11 4.179 6.988 -4.867 99 HD1 DPN 11 HD1 DPN 11 4.524 5.543 -6.857 100 HD2 DPN 11 HD2 DPN 11 4.932 4.457 -2.879 101 HE1 DPN 11 HE1 DPN 11 4.923 3.188 -7.454 102 HE2 DPN 11 HE2 DPN 11 5.314 2.277 -3.428 103 HZ DPN 11 HZ DPN 11 5.220 1.709 -5.567 104 H ILE 12 HN ILE 12 3.902 4.858 -2.047 105 HA ILE 12 HA ILE 12 3.386 6.746 -0.126 106 HB ILE 12 HB ILE 12 2.485 4.676 1.351 107 HG12 ILE 12 HG12 ILE 12 0.655 3.625 0.071 108 HG13 ILE 12 HG11 ILE 12 1.206 4.513 -1.409 109 HG21 ILE 12 HG21 ILE 12 0.102 5.974 0.617 110 HG22 ILE 12 HG22 ILE 12 1.353 7.196 0.181 111 HG23 ILE 12 HG23 ILE 12 1.254 6.568 1.871 112 HD11 ILE 12 HD11 ILE 12 2.222 2.142 -0.395 113 HD12 ILE 12 HD12 ILE 12 3.411 3.351 -0.065 114 HD13 ILE 12 HD13 ILE 12 2.859 3.149 -1.753 115 H LEU 13 HN LEU 13 4.933 4.306 -1.719 116 HA LEU 13 HA LEU 13 6.637 3.518 0.528 117 HB2 LEU 13 HB2 LEU 13 6.666 2.451 -2.310 118 HB3 LEU 13 HB1 LEU 13 7.194 1.606 -0.810 119 HG LEU 13 HG LEU 13 4.425 2.428 -1.608 120 HD11 LEU 13 HD11 LEU 13 4.573 -0.395 -1.393 121 HD12 LEU 13 HD12 LEU 13 6.065 0.123 -2.273 122 HD13 LEU 13 HD13 LEU 13 4.448 0.616 -2.894 123 HD21 LEU 13 HD21 LEU 13 3.704 1.187 0.440 124 HD22 LEU 13 HD22 LEU 13 4.786 2.603 0.811 125 HD23 LEU 13 HD23 LEU 13 5.439 0.906 0.866 126 H GLN 14 HN GLN 14 6.631 4.424 -2.945 127 HA GLN 14 HA GLN 14 9.462 4.733 -3.004 128 HB2 GLN 14 HB2 GLN 14 7.462 6.308 -4.701 129 HB3 GLN 14 HB1 GLN 14 9.192 5.998 -5.097 130 HG2 GLN 14 HG2 GLN 14 6.866 4.092 -5.025 131 HG3 GLN 14 HG1 GLN 14 7.911 4.486 -6.434 132 HE21 GLN 14 HE21 GLN 14 7.267 2.491 -3.815 133 HE22 GLN 14 HE22 GLN 14 8.722 1.533 -3.784 134 H ARG 15 HN ARG 15 6.786 6.395 -1.771 135 HA ARG 15 HA ARG 15 8.429 8.799 -1.586 136 HB2 ARG 15 HB2 ARG 15 5.646 8.822 -0.457 137 HB3 ARG 15 HB1 ARG 15 6.506 10.102 -1.376 138 HG2 ARG 15 HG2 ARG 15 5.748 9.351 -3.412 139 HG3 ARG 15 HG1 ARG 15 5.821 7.618 -2.923 140 HD2 ARG 15 HD2 ARG 15 3.457 8.308 -3.223 141 HD3 ARG 15 HD1 ARG 15 3.793 7.947 -1.468 142 HE ARG 15 HE ARG 15 4.302 10.724 -1.816 143 HH11 ARG 15 HH11 ARG 15 1.571 8.461 -2.234 144 HH12 ARG 15 HH12 ARG 15 0.351 9.650 -1.910 145 HH21 ARG 15 HH21 ARG 15 2.637 12.321 -1.376 146 HH22 ARG 15 HH22 ARG 15 0.966 11.872 -1.414 147 H LYS 16 HN LYS 16 6.853 6.137 -0.025 148 HA LYS 16 HA LYS 16 7.014 5.210 1.900 149 HB2 LYS 16 HB2 LYS 16 8.838 7.509 2.692 150 HB3 LYS 16 HB1 LYS 16 8.466 6.127 3.763 151 HG2 LYS 16 HG2 LYS 16 9.854 5.923 1.023 152 HG3 LYS 16 HG1 LYS 16 10.696 5.922 2.612 153 HD2 LYS 16 HD2 LYS 16 9.361 3.870 3.269 154 HD3 LYS 16 HD1 LYS 16 8.636 3.854 1.622 155 HE2 LYS 16 HE2 LYS 16 10.920 3.554 0.614 156 HE3 LYS 16 HE1 LYS 16 11.653 3.575 2.273 157 HZ1 LYS 16 HZ1 LYS 16 10.387 1.462 0.872 158 HZ2 LYS 16 HZ2 LYS 16 9.605 1.733 2.354 159 HZ3 LYS 16 HZ3 LYS 16 11.276 1.434 2.318 160 H LYS 17 HN LYS 17 5.376 7.796 1.130 161 HA LYS 17 HA LYS 17 3.772 7.557 3.413 162 HB2 LYS 17 HB2 LYS 17 3.852 10.200 3.828 163 HB3 LYS 17 HB1 LYS 17 4.977 9.108 4.698 164 HG2 LYS 17 HG2 LYS 17 6.430 10.773 3.953 165 HG3 LYS 17 HG1 LYS 17 6.604 9.542 2.663 166 HD2 LYS 17 HD2 LYS 17 4.749 10.870 1.383 167 HD3 LYS 17 HD1 LYS 17 5.023 12.174 2.589 168 HE2 LYS 17 HE2 LYS 17 7.474 12.218 1.934 169 HE3 LYS 17 HE1 LYS 17 7.121 10.964 0.670 170 HZ1 LYS 17 HZ1 LYS 17 5.536 12.502 -0.304 171 HZ2 LYS 17 HZ2 LYS 17 7.096 13.168 -0.239 172 HZ3 LYS 17 HZ3 LYS 17 5.908 13.676 0.863 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 -0.152 -10.272 -3.539 2 H2 GLU 1 HT2 GLU 1 -0.804 -11.667 -4.257 3 H3 GLU 1 HT3 GLU 1 -1.602 -10.932 -2.949 4 HA GLU 1 HA GLU 1 -1.104 -9.466 -5.437 5 HB2 GLU 1 HB2 GLU 1 -2.296 -11.598 -6.035 6 HB3 GLU 1 HB1 GLU 1 -3.526 -11.244 -4.775 7 HG2 GLU 1 HG2 GLU 1 -4.449 -10.639 -6.979 8 HG3 GLU 1 HG1 GLU 1 -4.158 -9.118 -6.049 9 H MET 2 HN MET 2 -1.266 -7.358 -4.695 10 HA MET 2 HA MET 2 -3.256 -6.864 -2.629 11 HB2 MET 2 HB2 MET 2 -0.843 -5.385 -3.644 12 HB3 MET 2 HB1 MET 2 -2.221 -4.385 -3.070 13 HG2 MET 2 HG2 MET 2 -0.280 -6.085 -1.537 14 HG3 MET 2 HG1 MET 2 -1.065 -4.531 -1.124 15 HE1 MET 2 HE1 MET 2 -4.700 -5.927 -1.131 16 HE2 MET 2 HE2 MET 2 -3.564 -4.624 -1.602 17 HE3 MET 2 HE3 MET 2 -4.118 -4.754 0.103 18 H ARG 3 HN ARG 3 -4.241 -4.552 -2.916 19 HA ARG 3 HA ARG 3 -5.515 -4.636 -5.491 20 HB2 ARG 3 HB2 ARG 3 -6.486 -4.369 -2.689 21 HB3 ARG 3 HB1 ARG 3 -7.449 -3.619 -4.016 22 HG2 ARG 3 HG2 ARG 3 -8.501 -5.726 -3.686 23 HG3 ARG 3 HG1 ARG 3 -7.412 -6.030 -5.088 24 HD2 ARG 3 HD2 ARG 3 -6.150 -7.552 -3.909 25 HD3 ARG 3 HD1 ARG 3 -6.049 -6.451 -2.460 26 HE ARG 3 HE ARG 3 -8.694 -7.378 -2.456 27 HH11 ARG 3 HH11 ARG 3 -5.448 -8.854 -2.537 28 HH12 ARG 3 HH12 ARG 3 -5.905 -10.270 -1.650 29 HH21 ARG 3 HH21 ARG 3 -9.311 -9.308 -1.253 30 HH22 ARG 3 HH22 ARG 3 -8.135 -10.532 -0.910 31 H LEU 4 HN LEU 4 -4.057 -3.116 -2.912 32 HA LEU 4 HA LEU 4 -5.035 -0.541 -3.405 33 HB2 LEU 4 HB2 LEU 4 -2.374 -0.654 -2.344 34 HB3 LEU 4 HB1 LEU 4 -3.835 -0.023 -1.572 35 HG LEU 4 HG LEU 4 -3.168 -2.909 -1.761 36 HD11 LEU 4 HD11 LEU 4 -1.598 -2.665 -0.249 37 HD12 LEU 4 HD12 LEU 4 -2.777 -1.909 0.909 38 HD13 LEU 4 HD13 LEU 4 -1.859 -0.879 -0.278 39 HD21 LEU 4 HD21 LEU 4 -5.407 -1.316 -0.528 40 HD22 LEU 4 HD22 LEU 4 -4.807 -2.748 0.396 41 HD23 LEU 4 HD23 LEU 4 -5.422 -2.954 -1.299 42 H SER 5 HN SER 5 -2.329 -2.430 -3.842 43 HA SER 5 HA SER 5 -0.354 -1.184 -4.640 44 HB2 SER 5 HB2 SER 5 0.468 -3.155 -5.087 45 HB3 SER 5 HB1 SER 5 -1.198 -3.697 -4.588 46 HG SER 5 HG SER 5 -0.334 -3.147 -7.268 47 H LYS 6 HN LYS 6 -3.033 -0.692 -6.564 48 HA LYS 6 HA LYS 6 -1.375 0.241 -8.750 49 HB2 LYS 6 HB2 LYS 6 -4.293 0.963 -8.029 50 HB3 LYS 6 HB1 LYS 6 -3.443 1.358 -9.563 51 HG2 LYS 6 HG2 LYS 6 -4.142 -1.485 -8.594 52 HG3 LYS 6 HG1 LYS 6 -5.075 -0.540 -9.804 53 HD2 LYS 6 HD2 LYS 6 -2.965 -0.420 -11.235 54 HD3 LYS 6 HD1 LYS 6 -2.162 -1.517 -10.061 55 HE2 LYS 6 HE2 LYS 6 -4.750 -2.212 -11.610 56 HE3 LYS 6 HE1 LYS 6 -3.080 -2.739 -12.081 57 HZ1 LYS 6 HZ1 LYS 6 -4.838 -3.757 -10.073 58 HZ2 LYS 6 HZ2 LYS 6 -3.300 -3.402 -9.446 59 HZ3 LYS 6 HZ3 LYS 6 -3.454 -4.446 -10.776 60 H PHE 7 HN PHE 7 -1.690 0.428 -5.502 61 HA PHE 7 HA PHE 7 -2.117 3.175 -4.991 62 HB2 PHE 7 HB2 PHE 7 -3.088 1.216 -3.940 63 HB3 PHE 7 HB1 PHE 7 -1.567 0.802 -3.195 64 HD1 PHE 7 HD1 PHE 7 -4.521 1.475 -2.443 65 HD2 PHE 7 HD2 PHE 7 -0.766 3.353 -2.359 66 HE1 PHE 7 HE1 PHE 7 -4.962 2.380 -0.273 67 HE2 PHE 7 HE2 PHE 7 -1.041 4.291 -0.375 68 HZ PHE 7 HZ PHE 7 -3.287 3.903 0.874 69 H PHE 8 HN PHE 8 -0.109 0.607 -3.663 70 HA PHE 8 HA PHE 8 1.260 2.695 -2.338 71 HB2 PHE 8 HB2 PHE 8 2.711 0.588 -1.596 72 HB3 PHE 8 HB1 PHE 8 1.164 0.919 -0.774 73 HD1 PHE 8 HD1 PHE 8 3.181 -1.120 -2.281 74 HD2 PHE 8 HD2 PHE 8 -0.795 -0.096 -1.701 75 HE1 PHE 8 HE1 PHE 8 2.604 -3.240 -2.932 76 HE2 PHE 8 HE2 PHE 8 -1.417 -2.274 -2.392 77 HZ PHE 8 HZ PHE 8 0.284 -3.865 -2.965 78 H ARG 9 HN ARG 9 1.222 0.168 -4.382 79 HA ARG 9 HA ARG 9 3.895 0.162 -4.840 80 HB2 ARG 9 HB2 ARG 9 1.415 -1.009 -5.828 81 HB3 ARG 9 HB1 ARG 9 2.704 -0.856 -7.098 82 HG2 ARG 9 HG2 ARG 9 3.304 -2.138 -4.396 83 HG3 ARG 9 HG1 ARG 9 2.454 -3.091 -5.658 84 HD2 ARG 9 HD2 ARG 9 5.102 -1.615 -6.210 85 HD3 ARG 9 HD1 ARG 9 5.047 -3.317 -5.572 86 HE ARG 9 HE ARG 9 3.310 -3.206 -7.834 87 HH11 ARG 9 HH11 ARG 9 6.746 -2.773 -7.007 88 HH12 ARG 9 HH12 ARG 9 7.343 -3.302 -8.544 89 HH21 ARG 9 HH21 ARG 9 4.119 -3.925 -9.926 90 HH22 ARG 9 HH22 ARG 9 5.823 -3.968 -10.233 91 H ASP 10 HN ASP 10 1.501 2.183 -5.044 92 HA ASP 10 HA ASP 10 2.681 3.282 -7.295 93 HB2 ASP 10 HB2 ASP 10 0.529 2.246 -7.481 94 HB3 ASP 10 HB1 ASP 10 -0.068 3.697 -6.596 95 H DPN 11 HN DPN 11 2.317 3.725 -3.997 96 HA DPN 11 HA DPN 11 1.957 6.574 -4.451 97 HB2 DPN 11 HB1 DPN 11 4.476 6.375 -3.246 98 HB3 DPN 11 HB2 DPN 11 4.105 7.077 -4.863 99 HD1 DPN 11 HD1 DPN 11 4.484 5.650 -6.853 100 HD2 DPN 11 HD2 DPN 11 4.934 4.561 -2.878 101 HE1 DPN 11 HE1 DPN 11 4.932 3.307 -7.460 102 HE2 DPN 11 HE2 DPN 11 5.357 2.388 -3.439 103 HZ DPN 11 HZ DPN 11 5.267 1.827 -5.582 104 H ILE 12 HN ILE 12 3.897 4.910 -2.043 105 HA ILE 12 HA ILE 12 3.362 6.776 -0.096 106 HB ILE 12 HB ILE 12 2.501 4.679 1.365 107 HG12 ILE 12 HG12 ILE 12 0.685 3.608 0.082 108 HG13 ILE 12 HG11 ILE 12 1.214 4.520 -1.393 109 HG21 ILE 12 HG21 ILE 12 1.230 6.535 1.907 110 HG22 ILE 12 HG22 ILE 12 0.095 5.946 0.635 111 HG23 ILE 12 HG23 ILE 12 1.331 7.195 0.229 112 HD11 ILE 12 HD11 ILE 12 2.273 2.156 -0.405 113 HD12 ILE 12 HD12 ILE 12 3.444 3.381 -0.066 114 HD13 ILE 12 HD13 ILE 12 2.890 3.186 -1.756 115 H LEU 13 HN LEU 13 4.944 4.374 -1.716 116 HA LEU 13 HA LEU 13 6.654 3.586 0.526 117 HB2 LEU 13 HB2 LEU 13 6.705 2.562 -2.326 118 HB3 LEU 13 HB1 LEU 13 7.251 1.707 -0.839 119 HG LEU 13 HG LEU 13 4.468 2.490 -1.622 120 HD11 LEU 13 HD11 LEU 13 6.149 0.214 -2.303 121 HD12 LEU 13 HD12 LEU 13 4.533 0.698 -2.934 122 HD13 LEU 13 HD13 LEU 13 4.657 -0.330 -1.440 123 HD21 LEU 13 HD21 LEU 13 3.773 1.219 0.416 124 HD22 LEU 13 HD22 LEU 13 4.836 2.647 0.799 125 HD23 LEU 13 HD23 LEU 13 5.513 0.958 0.833 126 H GLN 14 HN GLN 14 6.642 4.540 -2.927 127 HA GLN 14 HA GLN 14 9.469 4.895 -2.984 128 HB2 GLN 14 HB2 GLN 14 7.439 6.447 -4.670 129 HB3 GLN 14 HB1 GLN 14 9.174 6.171 -5.069 130 HG2 GLN 14 HG2 GLN 14 6.876 4.230 -5.027 131 HG3 GLN 14 HG1 GLN 14 7.927 4.652 -6.422 132 HE21 GLN 14 HE21 GLN 14 7.291 2.624 -3.830 133 HE22 GLN 14 HE22 GLN 14 8.757 1.685 -3.796 134 H ARG 15 HN ARG 15 6.744 6.519 -1.781 135 HA ARG 15 HA ARG 15 8.343 8.956 -1.581 136 HB2 ARG 15 HB2 ARG 15 5.572 8.915 -0.427 137 HB3 ARG 15 HB1 ARG 15 6.394 10.217 -1.350 138 HG2 ARG 15 HG2 ARG 15 5.610 9.471 -3.371 139 HG3 ARG 15 HG1 ARG 15 5.759 7.734 -2.910 140 HD2 ARG 15 HD2 ARG 15 3.361 8.346 -3.149 141 HD3 ARG 15 HD1 ARG 15 3.756 7.954 -1.417 142 HE ARG 15 HE ARG 15 3.425 10.258 -0.867 143 HH11 ARG 15 HH11 ARG 15 3.422 9.742 -4.400 144 HH12 ARG 15 HH12 ARG 15 2.826 11.322 -4.783 145 HH21 ARG 15 HH21 ARG 15 2.615 12.401 -1.396 146 HH22 ARG 15 HH22 ARG 15 2.361 12.857 -3.047 147 H LYS 16 HN LYS 16 6.910 6.225 -0.061 148 HA LYS 16 HA LYS 16 7.121 5.263 1.842 149 HB2 LYS 16 HB2 LYS 16 9.036 7.544 2.383 150 HB3 LYS 16 HB1 LYS 16 8.521 6.503 3.741 151 HG2 LYS 16 HG2 LYS 16 10.293 5.193 3.165 152 HG3 LYS 16 HG1 LYS 16 9.227 4.610 1.838 153 HD2 LYS 16 HD2 LYS 16 10.178 6.250 0.272 154 HD3 LYS 16 HD1 LYS 16 11.136 7.016 1.587 155 HE2 LYS 16 HE2 LYS 16 12.460 4.898 1.869 156 HE3 LYS 16 HE1 LYS 16 11.490 4.120 0.549 157 HZ1 LYS 16 HZ1 LYS 16 12.252 6.251 -0.727 158 HZ2 LYS 16 HZ2 LYS 16 13.257 4.889 -0.588 159 HZ3 LYS 16 HZ3 LYS 16 13.512 6.239 0.411 160 H LYS 17 HN LYS 17 5.384 7.821 1.166 161 HA LYS 17 HA LYS 17 3.765 7.462 3.401 162 HB2 LYS 17 HB2 LYS 17 3.820 10.019 4.078 163 HB3 LYS 17 HB1 LYS 17 5.019 8.897 4.800 164 HG2 LYS 17 HG2 LYS 17 6.464 10.571 4.172 165 HG3 LYS 17 HG1 LYS 17 6.475 9.629 2.649 166 HD2 LYS 17 HD2 LYS 17 4.397 11.225 2.029 167 HD3 LYS 17 HD1 LYS 17 5.132 12.287 3.281 168 HE2 LYS 17 HE2 LYS 17 7.319 12.239 2.033 169 HE3 LYS 17 HE1 LYS 17 6.560 11.180 0.770 170 HZ1 LYS 17 HZ1 LYS 17 6.607 13.886 0.792 171 HZ2 LYS 17 HZ2 LYS 17 5.039 13.548 1.351 172 HZ3 LYS 17 HZ3 LYS 17 5.568 12.910 -0.131 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 -0.226 -9.009 -3.476 2 H2 GLU 1 HT2 GLU 1 0.604 -9.935 -4.634 3 H3 GLU 1 HT3 GLU 1 -0.959 -10.386 -4.149 4 HA GLU 1 HA GLU 1 -0.108 -8.486 -6.101 5 HB2 GLU 1 HB2 GLU 1 -2.714 -9.953 -5.422 6 HB3 GLU 1 HB1 GLU 1 -2.581 -8.823 -6.816 7 HG2 GLU 1 HG2 GLU 1 -0.860 -10.231 -7.888 8 HG3 GLU 1 HG1 GLU 1 -0.778 -11.308 -6.438 9 H MET 2 HN MET 2 -2.520 -8.521 -3.391 10 HA MET 2 HA MET 2 -3.518 -6.848 -2.319 11 HB2 MET 2 HB2 MET 2 -1.087 -5.414 -3.336 12 HB3 MET 2 HB1 MET 2 -2.470 -4.378 -2.854 13 HG2 MET 2 HG2 MET 2 -0.601 -6.036 -1.187 14 HG3 MET 2 HG1 MET 2 -1.363 -4.448 -0.871 15 HE1 MET 2 HE1 MET 2 -3.840 -4.494 -1.396 16 HE2 MET 2 HE2 MET 2 -4.402 -4.511 0.311 17 HE3 MET 2 HE3 MET 2 -5.034 -5.721 -0.858 18 H ARG 3 HN ARG 3 -4.336 -4.401 -2.781 19 HA ARG 3 HA ARG 3 -5.705 -4.626 -5.292 20 HB2 ARG 3 HB2 ARG 3 -6.646 -4.227 -2.494 21 HB3 ARG 3 HB1 ARG 3 -7.607 -3.511 -3.841 22 HG2 ARG 3 HG2 ARG 3 -8.727 -5.549 -3.600 23 HG3 ARG 3 HG1 ARG 3 -7.466 -6.045 -4.789 24 HD2 ARG 3 HD2 ARG 3 -6.896 -7.682 -3.266 25 HD3 ARG 3 HD1 ARG 3 -6.157 -6.326 -2.291 26 HE ARG 3 HE ARG 3 -8.985 -6.448 -1.733 27 HH11 ARG 3 HH11 ARG 3 -5.960 -8.275 -1.294 28 HH12 ARG 3 HH12 ARG 3 -6.439 -9.013 0.198 29 HH21 ARG 3 HH21 ARG 3 -9.640 -7.453 0.295 30 HH22 ARG 3 HH22 ARG 3 -8.568 -8.538 1.116 31 H LEU 4 HN LEU 4 -4.267 -3.014 -2.745 32 HA LEU 4 HA LEU 4 -5.160 -0.443 -3.382 33 HB2 LEU 4 HB2 LEU 4 -2.524 -0.574 -2.259 34 HB3 LEU 4 HB1 LEU 4 -3.986 0.122 -1.544 35 HG LEU 4 HG LEU 4 -3.381 -2.786 -1.600 36 HD11 LEU 4 HD11 LEU 4 -2.058 -0.727 -0.173 37 HD12 LEU 4 HD12 LEU 4 -1.839 -2.516 -0.067 38 HD13 LEU 4 HD13 LEU 4 -3.022 -1.684 1.033 39 HD21 LEU 4 HD21 LEU 4 -5.637 -2.785 -1.174 40 HD22 LEU 4 HD22 LEU 4 -5.617 -1.099 -0.505 41 HD23 LEU 4 HD23 LEU 4 -5.062 -2.480 0.520 42 H SER 5 HN SER 5 -2.496 -2.422 -3.685 43 HA SER 5 HA SER 5 -0.473 -1.259 -4.486 44 HB2 SER 5 HB2 SER 5 0.317 -3.265 -4.899 45 HB3 SER 5 HB1 SER 5 -1.345 -3.729 -4.315 46 HG SER 5 HG SER 5 -1.128 -4.805 -6.177 47 H LYS 6 HN LYS 6 -3.108 -0.798 -6.507 48 HA LYS 6 HA LYS 6 -1.386 0.014 -8.685 49 HB2 LYS 6 HB2 LYS 6 -4.308 0.760 -7.995 50 HB3 LYS 6 HB1 LYS 6 -3.440 1.210 -9.505 51 HG2 LYS 6 HG2 LYS 6 -3.358 -1.098 -10.260 52 HG3 LYS 6 HG1 LYS 6 -3.929 -1.708 -8.669 53 HD2 LYS 6 HD2 LYS 6 -5.797 -1.791 -10.213 54 HD3 LYS 6 HD1 LYS 6 -6.108 -0.474 -9.030 55 HE2 LYS 6 HE2 LYS 6 -5.404 1.239 -10.704 56 HE3 LYS 6 HE1 LYS 6 -4.991 -0.069 -11.890 57 HZ1 LYS 6 HZ1 LYS 6 -7.680 0.007 -10.704 58 HZ2 LYS 6 HZ2 LYS 6 -7.164 -0.547 -12.224 59 HZ3 LYS 6 HZ3 LYS 6 -7.278 1.120 -11.922 60 H PHE 7 HN PHE 7 -1.748 0.347 -5.446 61 HA PHE 7 HA PHE 7 -2.104 3.125 -5.059 62 HB2 PHE 7 HB2 PHE 7 -3.152 1.241 -3.948 63 HB3 PHE 7 HB1 PHE 7 -1.658 0.814 -3.156 64 HD1 PHE 7 HD1 PHE 7 -4.603 1.600 -2.492 65 HD2 PHE 7 HD2 PHE 7 -0.799 3.376 -2.410 66 HE1 PHE 7 HE1 PHE 7 -5.058 2.600 -0.369 67 HE2 PHE 7 HE2 PHE 7 -1.084 4.398 -0.468 68 HZ PHE 7 HZ PHE 7 -3.362 4.122 0.750 69 H PHE 8 HN PHE 8 -0.196 0.558 -3.585 70 HA PHE 8 HA PHE 8 1.205 2.662 -2.320 71 HB2 PHE 8 HB2 PHE 8 2.580 0.551 -1.458 72 HB3 PHE 8 HB1 PHE 8 1.026 0.959 -0.684 73 HD1 PHE 8 HD1 PHE 8 3.016 -1.198 -2.064 74 HD2 PHE 8 HD2 PHE 8 -0.940 -0.041 -1.608 75 HE1 PHE 8 HE1 PHE 8 2.392 -3.327 -2.640 76 HE2 PHE 8 HE2 PHE 8 -1.610 -2.229 -2.222 77 HZ PHE 8 HZ PHE 8 0.055 -3.889 -2.696 78 H ARG 9 HN ARG 9 1.134 0.054 -4.258 79 HA ARG 9 HA ARG 9 3.815 -0.044 -4.658 80 HB2 ARG 9 HB2 ARG 9 1.328 -1.196 -5.640 81 HB3 ARG 9 HB1 ARG 9 2.638 -1.124 -6.896 82 HG2 ARG 9 HG2 ARG 9 3.152 -2.312 -4.132 83 HG3 ARG 9 HG1 ARG 9 2.322 -3.295 -5.385 84 HD2 ARG 9 HD2 ARG 9 5.012 -1.883 -5.904 85 HD3 ARG 9 HD1 ARG 9 4.904 -3.566 -5.222 86 HE ARG 9 HE ARG 9 3.237 -3.487 -7.535 87 HH11 ARG 9 HH11 ARG 9 6.656 -3.086 -6.625 88 HH12 ARG 9 HH12 ARG 9 7.286 -3.663 -8.132 89 HH21 ARG 9 HH21 ARG 9 4.092 -4.272 -9.585 90 HH22 ARG 9 HH22 ARG 9 5.802 -4.349 -9.843 91 H ASP 10 HN ASP 10 1.485 2.031 -4.995 92 HA ASP 10 HA ASP 10 2.738 3.002 -7.265 93 HB2 ASP 10 HB2 ASP 10 0.558 2.025 -7.445 94 HB3 ASP 10 HB1 ASP 10 -0.007 3.530 -6.634 95 H DPN 11 HN DPN 11 2.325 3.593 -3.994 96 HA DPN 11 HA DPN 11 2.070 6.432 -4.575 97 HB2 DPN 11 HB1 DPN 11 4.555 6.190 -3.292 98 HB3 DPN 11 HB2 DPN 11 4.246 6.852 -4.940 99 HD1 DPN 11 HD1 DPN 11 4.607 5.339 -6.875 100 HD2 DPN 11 HD2 DPN 11 4.943 4.381 -2.858 101 HE1 DPN 11 HE1 DPN 11 4.994 2.962 -7.388 102 HE2 DPN 11 HE2 DPN 11 5.312 2.182 -3.328 103 HZ DPN 11 HZ DPN 11 5.247 1.544 -5.449 104 H ILE 12 HN ILE 12 3.896 4.811 -2.058 105 HA ILE 12 HA ILE 12 3.372 6.771 -0.202 106 HB ILE 12 HB ILE 12 2.429 4.754 1.323 107 HG12 ILE 12 HG12 ILE 12 0.609 3.682 0.043 108 HG13 ILE 12 HG11 ILE 12 1.197 4.518 -1.453 109 HG21 ILE 12 HG21 ILE 12 0.069 6.043 0.519 110 HG22 ILE 12 HG22 ILE 12 1.331 7.242 0.050 111 HG23 ILE 12 HG23 ILE 12 1.213 6.676 1.760 112 HD11 ILE 12 HD11 ILE 12 2.834 3.124 -1.727 113 HD12 ILE 12 HD12 ILE 12 2.165 2.169 -0.324 114 HD13 ILE 12 HD13 ILE 12 3.368 3.377 -0.050 115 H LEU 13 HN LEU 13 4.925 4.271 -1.694 116 HA LEU 13 HA LEU 13 6.582 3.537 0.607 117 HB2 LEU 13 HB2 LEU 13 6.647 2.379 -2.194 118 HB3 LEU 13 HB1 LEU 13 7.143 1.578 -0.660 119 HG LEU 13 HG LEU 13 4.395 2.398 -1.528 120 HD11 LEU 13 HD11 LEU 13 6.023 0.051 -2.082 121 HD12 LEU 13 HD12 LEU 13 4.429 0.550 -2.759 122 HD13 LEU 13 HD13 LEU 13 4.503 -0.414 -1.220 123 HD21 LEU 13 HD21 LEU 13 5.357 0.954 1.013 124 HD22 LEU 13 HD22 LEU 13 3.632 1.226 0.549 125 HD23 LEU 13 HD23 LEU 13 4.716 2.650 0.890 126 H GLN 14 HN GLN 14 6.646 4.327 -2.892 127 HA GLN 14 HA GLN 14 9.479 4.610 -2.914 128 HB2 GLN 14 HB2 GLN 14 7.524 6.146 -4.694 129 HB3 GLN 14 HB1 GLN 14 9.256 5.806 -5.052 130 HG2 GLN 14 HG2 GLN 14 6.908 3.928 -4.956 131 HG3 GLN 14 HG1 GLN 14 7.980 4.265 -6.359 132 HE21 GLN 14 HE21 GLN 14 7.271 2.362 -3.689 133 HE22 GLN 14 HE22 GLN 14 8.715 1.390 -3.602 134 H ARG 15 HN ARG 15 6.801 6.336 -1.782 135 HA ARG 15 HA ARG 15 8.464 8.733 -1.649 136 HB2 ARG 15 HB2 ARG 15 5.665 8.824 -0.574 137 HB3 ARG 15 HB1 ARG 15 6.551 10.060 -1.526 138 HG2 ARG 15 HG2 ARG 15 5.799 9.252 -3.537 139 HG3 ARG 15 HG1 ARG 15 5.873 7.534 -2.999 140 HD2 ARG 15 HD2 ARG 15 3.506 8.201 -3.327 141 HD3 ARG 15 HD1 ARG 15 3.837 7.901 -1.564 142 HE ARG 15 HE ARG 15 3.575 10.246 -1.163 143 HH11 ARG 15 HH11 ARG 15 3.642 9.512 -4.656 144 HH12 ARG 15 HH12 ARG 15 3.109 11.084 -5.150 145 HH21 ARG 15 HH21 ARG 15 2.850 12.377 -1.843 146 HH22 ARG 15 HH22 ARG 15 2.652 12.738 -3.524 147 H LYS 16 HN LYS 16 6.837 6.138 -0.028 148 HA LYS 16 HA LYS 16 6.944 5.281 1.935 149 HB2 LYS 16 HB2 LYS 16 8.786 7.588 2.656 150 HB3 LYS 16 HB1 LYS 16 8.354 6.284 3.800 151 HG2 LYS 16 HG2 LYS 16 9.809 5.891 1.117 152 HG3 LYS 16 HG1 LYS 16 10.603 5.947 2.728 153 HD2 LYS 16 HD2 LYS 16 9.088 3.986 3.425 154 HD3 LYS 16 HD1 LYS 16 8.572 3.870 1.707 155 HE2 LYS 16 HE2 LYS 16 11.506 3.647 2.679 156 HE3 LYS 16 HE1 LYS 16 10.428 2.245 2.279 157 HZ1 LYS 16 HZ1 LYS 16 11.844 4.053 0.556 158 HZ2 LYS 16 HZ2 LYS 16 10.210 3.863 0.117 159 HZ3 LYS 16 HZ3 LYS 16 11.223 2.500 0.258 160 H LYS 17 HN LYS 17 5.343 7.840 1.028 161 HA LYS 17 HA LYS 17 3.624 7.700 3.205 162 HB2 LYS 17 HB2 LYS 17 3.783 10.289 3.741 163 HB3 LYS 17 HB1 LYS 17 4.879 9.147 4.586 164 HG2 LYS 17 HG2 LYS 17 6.455 10.690 3.946 165 HG3 LYS 17 HG1 LYS 17 6.473 9.682 2.464 166 HD2 LYS 17 HD2 LYS 17 4.514 11.378 1.703 167 HD3 LYS 17 HD1 LYS 17 5.289 12.446 2.924 168 HE2 LYS 17 HE2 LYS 17 7.498 12.190 1.748 169 HE3 LYS 17 HE1 LYS 17 6.707 11.115 0.518 170 HZ1 LYS 17 HZ1 LYS 17 6.945 13.792 0.366 171 HZ2 LYS 17 HZ2 LYS 17 5.357 13.628 0.945 172 HZ3 LYS 17 HZ3 LYS 17 5.823 12.849 -0.492 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 0.280 -8.044 -4.838 2 H2 GLU 1 HT2 GLU 1 0.388 -9.206 -6.072 3 H3 GLU 1 HT3 GLU 1 0.977 -9.560 -4.518 4 HA GLU 1 HA GLU 1 -1.666 -9.739 -5.572 5 HB2 GLU 1 HB2 GLU 1 -0.375 -10.746 -2.968 6 HB3 GLU 1 HB1 GLU 1 -1.944 -11.318 -3.636 7 HG2 GLU 1 HG2 GLU 1 0.780 -11.613 -5.079 8 HG3 GLU 1 HG1 GLU 1 -0.021 -12.907 -4.104 9 H MET 2 HN MET 2 -1.925 -7.194 -5.265 10 HA MET 2 HA MET 2 -3.361 -6.920 -2.758 11 HB2 MET 2 HB2 MET 2 -0.989 -5.306 -3.578 12 HB3 MET 2 HB1 MET 2 -2.412 -4.343 -3.057 13 HG2 MET 2 HG2 MET 2 -0.552 -6.095 -1.470 14 HG3 MET 2 HG1 MET 2 -1.340 -4.541 -1.058 15 HE1 MET 2 HE1 MET 2 -3.775 -4.525 -1.578 16 HE2 MET 2 HE2 MET 2 -4.565 -4.876 -0.004 17 HE3 MET 2 HE3 MET 2 -4.927 -5.893 -1.443 18 H ARG 3 HN ARG 3 -4.370 -4.486 -2.940 19 HA ARG 3 HA ARG 3 -5.716 -4.558 -5.452 20 HB2 ARG 3 HB2 ARG 3 -6.866 -5.382 -3.234 21 HB3 ARG 3 HB1 ARG 3 -6.803 -3.621 -2.827 22 HG2 ARG 3 HG2 ARG 3 -7.981 -4.402 -5.507 23 HG3 ARG 3 HG1 ARG 3 -8.955 -4.747 -4.030 24 HD2 ARG 3 HD2 ARG 3 -7.710 -2.065 -3.886 25 HD3 ARG 3 HD1 ARG 3 -8.755 -2.238 -5.371 26 HE ARG 3 HE ARG 3 -10.185 -3.335 -3.130 27 HH11 ARG 3 HH11 ARG 3 -8.910 -0.254 -4.377 28 HH12 ARG 3 HH12 ARG 3 -10.124 0.730 -3.633 29 HH21 ARG 3 HH21 ARG 3 -11.840 -1.998 -2.115 30 HH22 ARG 3 HH22 ARG 3 -11.819 -0.279 -2.323 31 H LEU 4 HN LEU 4 -4.231 -3.016 -2.869 32 HA LEU 4 HA LEU 4 -5.124 -0.438 -3.401 33 HB2 LEU 4 HB2 LEU 4 -2.468 -0.606 -2.337 34 HB3 LEU 4 HB1 LEU 4 -3.913 0.063 -1.570 35 HG LEU 4 HG LEU 4 -3.314 -2.839 -1.736 36 HD11 LEU 4 HD11 LEU 4 -1.730 -2.615 -0.234 37 HD12 LEU 4 HD12 LEU 4 -2.891 -1.835 0.924 38 HD13 LEU 4 HD13 LEU 4 -1.959 -0.825 -0.267 39 HD21 LEU 4 HD21 LEU 4 -4.940 -2.686 0.395 40 HD22 LEU 4 HD22 LEU 4 -5.588 -2.765 -1.297 41 HD23 LEU 4 HD23 LEU 4 -5.480 -1.174 -0.437 42 H SER 5 HN SER 5 -2.456 -2.393 -3.823 43 HA SER 5 HA SER 5 -0.458 -1.177 -4.618 44 HB2 SER 5 HB2 SER 5 0.345 -3.158 -5.062 45 HB3 SER 5 HB1 SER 5 -1.325 -3.676 -4.554 46 HG SER 5 HG SER 5 -0.467 -3.153 -7.241 47 H LYS 6 HN LYS 6 -3.130 -0.672 -6.579 48 HA LYS 6 HA LYS 6 -1.453 0.234 -8.753 49 HB2 LYS 6 HB2 LYS 6 -4.367 0.905 -7.963 50 HB3 LYS 6 HB1 LYS 6 -3.544 1.433 -9.476 51 HG2 LYS 6 HG2 LYS 6 -3.355 -0.920 -10.236 52 HG3 LYS 6 HG1 LYS 6 -4.096 -1.498 -8.702 53 HD2 LYS 6 HD2 LYS 6 -6.181 -0.254 -9.232 54 HD3 LYS 6 HD1 LYS 6 -5.453 0.341 -10.765 55 HE2 LYS 6 HE2 LYS 6 -5.262 -2.027 -11.596 56 HE3 LYS 6 HE1 LYS 6 -5.993 -2.623 -10.047 57 HZ1 LYS 6 HZ1 LYS 6 -7.616 -2.439 -11.782 58 HZ2 LYS 6 HZ2 LYS 6 -7.270 -0.793 -12.016 59 HZ3 LYS 6 HZ3 LYS 6 -7.956 -1.317 -10.554 60 H PHE 7 HN PHE 7 -1.762 0.448 -5.495 61 HA PHE 7 HA PHE 7 -2.139 3.205 -5.003 62 HB2 PHE 7 HB2 PHE 7 -3.148 1.273 -3.940 63 HB3 PHE 7 HB1 PHE 7 -1.637 0.834 -3.190 64 HD1 PHE 7 HD1 PHE 7 -4.578 1.563 -2.444 65 HD2 PHE 7 HD2 PHE 7 -0.792 3.381 -2.371 66 HE1 PHE 7 HE1 PHE 7 -5.005 2.486 -0.280 67 HE2 PHE 7 HE2 PHE 7 -1.053 4.334 -0.391 68 HZ PHE 7 HZ PHE 7 -3.305 3.989 0.858 69 H PHE 8 HN PHE 8 -0.180 0.611 -3.653 70 HA PHE 8 HA PHE 8 1.220 2.686 -2.340 71 HB2 PHE 8 HB2 PHE 8 2.632 0.561 -1.575 72 HB3 PHE 8 HB1 PHE 8 1.088 0.923 -0.761 73 HD1 PHE 8 HD1 PHE 8 3.077 -1.161 -2.243 74 HD2 PHE 8 HD2 PHE 8 -0.884 -0.067 -1.691 75 HE1 PHE 8 HE1 PHE 8 2.469 -3.277 -2.882 76 HE2 PHE 8 HE2 PHE 8 -1.539 -2.240 -2.370 77 HZ PHE 8 HZ PHE 8 0.139 -3.863 -2.921 78 H ARG 9 HN ARG 9 1.142 0.145 -4.365 79 HA ARG 9 HA ARG 9 3.816 0.089 -4.816 80 HB2 ARG 9 HB2 ARG 9 1.320 -1.049 -5.799 81 HB3 ARG 9 HB1 ARG 9 2.611 -0.922 -7.071 82 HG2 ARG 9 HG2 ARG 9 3.175 -2.205 -4.360 83 HG3 ARG 9 HG1 ARG 9 2.335 -3.148 -5.637 84 HD2 ARG 9 HD2 ARG 9 5.006 -1.695 -6.144 85 HD3 ARG 9 HD1 ARG 9 4.923 -3.401 -5.517 86 HE ARG 9 HE ARG 9 3.222 -3.266 -7.802 87 HH11 ARG 9 HH11 ARG 9 6.649 -2.837 -6.934 88 HH12 ARG 9 HH12 ARG 9 7.262 -3.353 -8.468 89 HH21 ARG 9 HH21 ARG 9 4.054 -3.969 -9.890 90 HH22 ARG 9 HH22 ARG 9 5.761 -4.008 -10.178 91 H ASP 10 HN ASP 10 1.459 2.151 -5.038 92 HA ASP 10 HA ASP 10 2.665 3.215 -7.293 93 HB2 ASP 10 HB2 ASP 10 0.493 2.221 -7.474 94 HB3 ASP 10 HB1 ASP 10 -0.075 3.690 -6.600 95 H DPN 11 HN DPN 11 2.303 3.685 -3.998 96 HA DPN 11 HA DPN 11 2.004 6.539 -4.472 97 HB2 DPN 11 HB1 DPN 11 4.515 6.285 -3.246 98 HB3 DPN 11 HB2 DPN 11 4.167 6.996 -4.865 99 HD1 DPN 11 HD1 DPN 11 4.515 5.554 -6.855 100 HD2 DPN 11 HD2 DPN 11 4.931 4.465 -2.878 101 HE1 DPN 11 HE1 DPN 11 4.917 3.202 -7.455 102 HE2 DPN 11 HE2 DPN 11 5.316 2.286 -3.430 103 HZ DPN 11 HZ DPN 11 5.220 1.720 -5.571 104 H ILE 12 HN ILE 12 3.895 4.852 -2.046 105 HA ILE 12 HA ILE 12 3.383 6.739 -0.112 106 HB ILE 12 HB ILE 12 2.488 4.659 1.355 107 HG12 ILE 12 HG12 ILE 12 0.657 3.614 0.070 108 HG13 ILE 12 HG11 ILE 12 1.210 4.509 -1.406 109 HG21 ILE 12 HG21 ILE 12 1.347 7.180 0.197 110 HG22 ILE 12 HG22 ILE 12 1.256 6.546 1.884 111 HG23 ILE 12 HG23 ILE 12 0.102 5.952 0.633 112 HD11 ILE 12 HD11 ILE 12 2.855 3.142 -1.757 113 HD12 ILE 12 HD12 ILE 12 2.222 2.132 -0.377 114 HD13 ILE 12 HD13 ILE 12 3.417 3.341 -0.082 115 H LEU 13 HN LEU 13 4.936 4.308 -1.718 116 HA LEU 13 HA LEU 13 6.636 3.510 0.529 117 HB2 LEU 13 HB2 LEU 13 6.667 2.455 -2.313 118 HB3 LEU 13 HB1 LEU 13 7.197 1.604 -0.818 119 HG LEU 13 HG LEU 13 4.427 2.427 -1.610 120 HD11 LEU 13 HD11 LEU 13 4.457 0.623 -2.905 121 HD12 LEU 13 HD12 LEU 13 4.572 -0.395 -1.403 122 HD13 LEU 13 HD13 LEU 13 6.068 0.120 -2.276 123 HD21 LEU 13 HD21 LEU 13 3.711 1.178 0.437 124 HD22 LEU 13 HD22 LEU 13 4.788 2.597 0.810 125 HD23 LEU 13 HD23 LEU 13 5.448 0.901 0.859 126 H GLN 14 HN GLN 14 6.637 4.426 -2.939 127 HA GLN 14 HA GLN 14 9.468 4.733 -2.996 128 HB2 GLN 14 HB2 GLN 14 7.470 6.314 -4.691 129 HB3 GLN 14 HB1 GLN 14 9.199 6.000 -5.089 130 HG2 GLN 14 HG2 GLN 14 6.867 4.101 -5.023 131 HG3 GLN 14 HG1 GLN 14 7.915 4.495 -6.429 132 HE21 GLN 14 HE21 GLN 14 7.262 2.495 -3.818 133 HE22 GLN 14 HE22 GLN 14 8.715 1.533 -3.787 134 H ARG 15 HN ARG 15 6.791 6.398 -1.770 135 HA ARG 15 HA ARG 15 8.433 8.806 -1.585 136 HB2 ARG 15 HB2 ARG 15 5.656 8.828 -0.449 137 HB3 ARG 15 HB1 ARG 15 6.509 10.106 -1.375 138 HG2 ARG 15 HG2 ARG 15 5.726 9.359 -3.398 139 HG3 ARG 15 HG1 ARG 15 5.825 7.624 -2.920 140 HD2 ARG 15 HD2 ARG 15 3.445 8.290 -3.180 141 HD3 ARG 15 HD1 ARG 15 3.816 7.915 -1.440 142 HE ARG 15 HE ARG 15 3.553 10.240 -0.927 143 HH11 ARG 15 HH11 ARG 15 3.534 9.659 -4.452 144 HH12 ARG 15 HH12 ARG 15 2.988 11.250 -4.863 145 HH21 ARG 15 HH21 ARG 15 2.812 12.396 -1.496 146 HH22 ARG 15 HH22 ARG 15 2.571 12.831 -3.155 147 H LYS 16 HN LYS 16 6.859 6.142 -0.024 148 HA LYS 16 HA LYS 16 7.027 5.210 1.901 149 HB2 LYS 16 HB2 LYS 16 8.845 7.520 2.680 150 HB3 LYS 16 HB1 LYS 16 8.481 6.145 3.761 151 HG2 LYS 16 HG2 LYS 16 9.876 5.947 1.024 152 HG3 LYS 16 HG1 LYS 16 10.705 5.924 2.617 153 HD2 LYS 16 HD2 LYS 16 8.558 3.887 1.758 154 HD3 LYS 16 HD1 LYS 16 10.324 3.635 1.548 155 HE2 LYS 16 HE2 LYS 16 10.625 3.883 4.064 156 HE3 LYS 16 HE1 LYS 16 8.824 4.012 4.230 157 HZ1 LYS 16 HZ1 LYS 16 9.539 1.781 2.637 158 HZ2 LYS 16 HZ2 LYS 16 8.669 1.849 4.093 159 HZ3 LYS 16 HZ3 LYS 16 10.362 1.730 4.120 160 H LYS 17 HN LYS 17 5.367 7.761 1.122 161 HA LYS 17 HA LYS 17 3.707 7.540 3.333 162 HB2 LYS 17 HB2 LYS 17 3.846 10.105 3.956 163 HB3 LYS 17 HB1 LYS 17 4.991 8.959 4.724 164 HG2 LYS 17 HG2 LYS 17 6.520 10.544 4.086 165 HG3 LYS 17 HG1 LYS 17 6.496 9.601 2.563 166 HD2 LYS 17 HD2 LYS 17 4.454 11.313 2.000 167 HD3 LYS 17 HD1 LYS 17 5.347 12.339 3.177 168 HE2 LYS 17 HE2 LYS 17 6.578 11.037 0.655 169 HE3 LYS 17 HE1 LYS 17 6.082 12.774 0.814 170 HZ1 LYS 17 HZ1 LYS 17 8.390 11.375 1.853 171 HZ2 LYS 17 HZ2 LYS 17 7.645 12.427 2.959 172 HZ3 LYS 17 HZ3 LYS 17 8.172 13.013 1.454 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 0.523 -10.337 -4.018 2 H2 GLU 1 HT2 GLU 1 0.233 -8.671 -4.170 3 H3 GLU 1 HT3 GLU 1 0.337 -9.645 -5.558 4 HA GLU 1 HA GLU 1 -1.824 -9.842 -5.509 5 HB2 GLU 1 HB2 GLU 1 -1.158 -11.284 -2.882 6 HB3 GLU 1 HB1 GLU 1 -2.802 -11.314 -3.616 7 HG2 GLU 1 HG2 GLU 1 -1.940 -12.434 -5.651 8 HG3 GLU 1 HG1 GLU 1 -0.241 -12.299 -5.047 9 H MET 2 HN MET 2 -1.737 -7.342 -5.113 10 HA MET 2 HA MET 2 -3.328 -6.848 -2.702 11 HB2 MET 2 HB2 MET 2 -0.907 -5.375 -3.711 12 HB3 MET 2 HB1 MET 2 -2.278 -4.370 -3.128 13 HG2 MET 2 HG2 MET 2 -0.345 -6.095 -1.611 14 HG3 MET 2 HG1 MET 2 -1.115 -4.535 -1.187 15 HE1 MET 2 HE1 MET 2 -4.769 -5.896 -1.167 16 HE2 MET 2 HE2 MET 2 -3.621 -4.610 -1.662 17 HE3 MET 2 HE3 MET 2 -4.152 -4.726 0.051 18 H ARG 3 HN ARG 3 -4.294 -4.522 -2.970 19 HA ARG 3 HA ARG 3 -5.578 -4.585 -5.540 20 HB2 ARG 3 HB2 ARG 3 -6.543 -4.322 -2.733 21 HB3 ARG 3 HB1 ARG 3 -7.518 -3.598 -4.067 22 HG2 ARG 3 HG2 ARG 3 -8.565 -5.693 -3.841 23 HG3 ARG 3 HG1 ARG 3 -7.336 -6.074 -5.102 24 HD2 ARG 3 HD2 ARG 3 -6.625 -7.760 -3.696 25 HD3 ARG 3 HD1 ARG 3 -5.931 -6.434 -2.652 26 HE ARG 3 HE ARG 3 -8.737 -6.745 -2.045 27 HH11 ARG 3 HH11 ARG 3 -5.597 -8.406 -1.780 28 HH12 ARG 3 HH12 ARG 3 -5.995 -9.258 -0.326 29 HH21 ARG 3 HH21 ARG 3 -9.281 -7.905 -0.068 30 HH22 ARG 3 HH22 ARG 3 -8.126 -8.968 0.663 31 H LEU 4 HN LEU 4 -4.095 -3.090 -2.962 32 HA LEU 4 HA LEU 4 -5.078 -0.509 -3.430 33 HB2 LEU 4 HB2 LEU 4 -2.416 -0.637 -2.371 34 HB3 LEU 4 HB1 LEU 4 -3.876 -0.009 -1.593 35 HG LEU 4 HG LEU 4 -3.213 -2.894 -1.805 36 HD11 LEU 4 HD11 LEU 4 -1.644 -2.666 -0.292 37 HD12 LEU 4 HD12 LEU 4 -2.821 -1.916 0.871 38 HD13 LEU 4 HD13 LEU 4 -1.901 -0.880 -0.308 39 HD21 LEU 4 HD21 LEU 4 -5.460 -1.312 -0.582 40 HD22 LEU 4 HD22 LEU 4 -4.853 -2.730 0.360 41 HD23 LEU 4 HD23 LEU 4 -5.459 -2.961 -1.336 42 H SER 5 HN SER 5 -2.380 -2.406 -3.884 43 HA SER 5 HA SER 5 -0.400 -1.162 -4.675 44 HB2 SER 5 HB2 SER 5 0.412 -3.134 -5.141 45 HB3 SER 5 HB1 SER 5 -1.255 -3.672 -4.641 46 HG SER 5 HG SER 5 -0.401 -3.102 -7.321 47 H LYS 6 HN LYS 6 -3.090 -0.661 -6.611 48 HA LYS 6 HA LYS 6 -1.438 0.289 -8.786 49 HB2 LYS 6 HB2 LYS 6 -4.356 0.918 -7.974 50 HB3 LYS 6 HB1 LYS 6 -3.547 1.470 -9.485 51 HG2 LYS 6 HG2 LYS 6 -3.361 -0.848 -10.298 52 HG3 LYS 6 HG1 LYS 6 -4.024 -1.483 -8.751 53 HD2 LYS 6 HD2 LYS 6 -6.162 -0.265 -9.175 54 HD3 LYS 6 HD1 LYS 6 -5.511 0.344 -10.736 55 HE2 LYS 6 HE2 LYS 6 -5.860 -2.652 -10.036 56 HE3 LYS 6 HE1 LYS 6 -7.024 -1.670 -11.019 57 HZ1 LYS 6 HZ1 LYS 6 -4.588 -2.898 -11.780 58 HZ2 LYS 6 HZ2 LYS 6 -4.531 -1.233 -12.106 59 HZ3 LYS 6 HZ3 LYS 6 -5.791 -2.180 -12.736 60 H PHE 7 HN PHE 7 -1.732 0.460 -5.524 61 HA PHE 7 HA PHE 7 -2.141 3.205 -4.996 62 HB2 PHE 7 HB2 PHE 7 -3.121 1.246 -3.956 63 HB3 PHE 7 HB1 PHE 7 -1.601 0.817 -3.218 64 HD1 PHE 7 HD1 PHE 7 -4.549 1.498 -2.455 65 HD2 PHE 7 HD2 PHE 7 -0.785 3.360 -2.366 66 HE1 PHE 7 HE1 PHE 7 -4.981 2.387 -0.277 67 HE2 PHE 7 HE2 PHE 7 -1.052 4.284 -0.373 68 HZ PHE 7 HZ PHE 7 -3.296 3.894 0.877 69 H PHE 8 HN PHE 8 -0.144 0.618 -3.687 70 HA PHE 8 HA PHE 8 1.236 2.692 -2.352 71 HB2 PHE 8 HB2 PHE 8 2.677 0.572 -1.623 72 HB3 PHE 8 HB1 PHE 8 1.132 0.905 -0.799 73 HD1 PHE 8 HD1 PHE 8 3.137 -1.132 -2.328 74 HD2 PHE 8 HD2 PHE 8 -0.832 -0.095 -1.726 75 HE1 PHE 8 HE1 PHE 8 2.549 -3.246 -2.994 76 HE2 PHE 8 HE2 PHE 8 -1.465 -2.265 -2.432 77 HZ PHE 8 HZ PHE 8 0.226 -3.859 -3.023 78 H ARG 9 HN ARG 9 1.182 0.179 -4.413 79 HA ARG 9 HA ARG 9 3.855 0.163 -4.876 80 HB2 ARG 9 HB2 ARG 9 1.367 -0.990 -5.864 81 HB3 ARG 9 HB1 ARG 9 2.652 -0.834 -7.138 82 HG2 ARG 9 HG2 ARG 9 3.264 -2.133 -4.448 83 HG3 ARG 9 HG1 ARG 9 2.393 -3.076 -5.704 84 HD2 ARG 9 HD2 ARG 9 5.043 -1.614 -6.285 85 HD3 ARG 9 HD1 ARG 9 4.988 -3.317 -5.647 86 HE ARG 9 HE ARG 9 3.221 -3.203 -7.883 87 HH11 ARG 9 HH11 ARG 9 6.671 -2.759 -7.114 88 HH12 ARG 9 HH12 ARG 9 7.244 -3.285 -8.661 89 HH21 ARG 9 HH21 ARG 9 4.000 -3.920 -9.989 90 HH22 ARG 9 HH22 ARG 9 5.698 -3.956 -10.323 91 H ASP 10 HN ASP 10 1.470 2.198 -5.060 92 HA ASP 10 HA ASP 10 2.652 3.307 -7.305 93 HB2 ASP 10 HB2 ASP 10 0.493 2.286 -7.493 94 HB3 ASP 10 HB1 ASP 10 -0.092 3.732 -6.595 95 H DPN 11 HN DPN 11 2.298 3.727 -4.002 96 HA DPN 11 HA DPN 11 1.954 6.580 -4.434 97 HB2 DPN 11 HB1 DPN 11 4.474 6.357 -3.235 98 HB3 DPN 11 HB2 DPN 11 4.104 7.075 -4.844 99 HD1 DPN 11 HD1 DPN 11 4.470 5.661 -6.847 100 HD2 DPN 11 HD2 DPN 11 4.923 4.538 -2.882 101 HE1 DPN 11 HE1 DPN 11 4.901 3.321 -7.474 102 HE2 DPN 11 HE2 DPN 11 5.333 2.368 -3.461 103 HZ DPN 11 HZ DPN 11 5.233 1.823 -5.608 104 H ILE 12 HN ILE 12 3.889 4.889 -2.038 105 HA ILE 12 HA ILE 12 3.362 6.741 -0.083 106 HB ILE 12 HB ILE 12 2.496 4.636 1.364 107 HG12 ILE 12 HG12 ILE 12 0.672 3.585 0.075 108 HG13 ILE 12 HG11 ILE 12 1.206 4.505 -1.392 109 HG21 ILE 12 HG21 ILE 12 1.230 6.490 1.925 110 HG22 ILE 12 HG22 ILE 12 0.094 5.918 0.646 111 HG23 ILE 12 HG23 ILE 12 1.336 7.165 0.254 112 HD11 ILE 12 HD11 ILE 12 3.433 3.350 -0.091 113 HD12 ILE 12 HD12 ILE 12 2.867 3.162 -1.766 114 HD13 ILE 12 HD13 ILE 12 2.243 2.127 -0.405 115 H LEU 13 HN LEU 13 4.933 4.344 -1.722 116 HA LEU 13 HA LEU 13 6.644 3.531 0.511 117 HB2 LEU 13 HB2 LEU 13 6.683 2.526 -2.347 118 HB3 LEU 13 HB1 LEU 13 7.225 1.657 -0.867 119 HG LEU 13 HG LEU 13 4.446 2.463 -1.642 120 HD11 LEU 13 HD11 LEU 13 4.502 0.681 -2.968 121 HD12 LEU 13 HD12 LEU 13 4.613 -0.357 -1.481 122 HD13 LEU 13 HD13 LEU 13 6.112 0.179 -2.336 123 HD21 LEU 13 HD21 LEU 13 4.815 2.601 0.780 124 HD22 LEU 13 HD22 LEU 13 5.487 0.908 0.802 125 HD23 LEU 13 HD23 LEU 13 3.747 1.180 0.391 126 H GLN 14 HN GLN 14 6.633 4.503 -2.940 127 HA GLN 14 HA GLN 14 9.461 4.839 -2.999 128 HB2 GLN 14 HB2 GLN 14 7.443 6.418 -4.672 129 HB3 GLN 14 HB1 GLN 14 9.173 6.129 -5.076 130 HG2 GLN 14 HG2 GLN 14 6.859 4.209 -5.040 131 HG3 GLN 14 HG1 GLN 14 7.908 4.630 -6.436 132 HE21 GLN 14 HE21 GLN 14 7.262 2.591 -3.855 133 HE22 GLN 14 HE22 GLN 14 8.722 1.639 -3.832 134 H ARG 15 HN ARG 15 6.753 6.477 -1.780 135 HA ARG 15 HA ARG 15 8.372 8.898 -1.569 136 HB2 ARG 15 HB2 ARG 15 5.596 8.870 -0.412 137 HB3 ARG 15 HB1 ARG 15 6.431 10.175 -1.319 138 HG2 ARG 15 HG2 ARG 15 5.648 9.454 -3.352 139 HG3 ARG 15 HG1 ARG 15 5.786 7.711 -2.909 140 HD2 ARG 15 HD2 ARG 15 3.388 8.382 -3.159 141 HD3 ARG 15 HD1 ARG 15 3.776 7.897 -1.449 142 HE ARG 15 HE ARG 15 3.498 10.178 -0.783 143 HH11 ARG 15 HH11 ARG 15 3.448 9.834 -4.335 144 HH12 ARG 15 HH12 ARG 15 2.864 11.437 -4.634 145 HH21 ARG 15 HH21 ARG 15 2.701 12.351 -1.196 146 HH22 ARG 15 HH22 ARG 15 2.434 12.891 -2.820 147 H LYS 16 HN LYS 16 6.899 6.179 -0.057 148 HA LYS 16 HA LYS 16 7.111 5.198 1.834 149 HB2 LYS 16 HB2 LYS 16 9.052 7.453 2.397 150 HB3 LYS 16 HB1 LYS 16 8.525 6.403 3.742 151 HG2 LYS 16 HG2 LYS 16 10.283 5.082 3.154 152 HG3 LYS 16 HG1 LYS 16 9.211 4.524 1.821 153 HD2 LYS 16 HD2 LYS 16 10.179 6.170 0.271 154 HD3 LYS 16 HD1 LYS 16 11.146 6.909 1.594 155 HE2 LYS 16 HE2 LYS 16 12.446 4.774 1.852 156 HE3 LYS 16 HE1 LYS 16 11.466 4.022 0.525 157 HZ1 LYS 16 HZ1 LYS 16 13.253 4.782 -0.595 158 HZ2 LYS 16 HZ2 LYS 16 13.503 6.131 0.406 159 HZ3 LYS 16 HZ3 LYS 16 12.249 6.144 -0.739 160 H LYS 17 HN LYS 17 5.405 7.794 1.182 161 HA LYS 17 HA LYS 17 3.859 7.444 3.496 162 HB2 LYS 17 HB2 LYS 17 3.915 10.204 3.727 163 HB3 LYS 17 HB1 LYS 17 4.757 9.080 4.837 164 HG2 LYS 17 HG2 LYS 17 6.330 10.796 4.189 165 HG3 LYS 17 HG1 LYS 17 6.831 9.263 3.408 166 HD2 LYS 17 HD2 LYS 17 7.000 11.338 1.938 167 HD3 LYS 17 HD1 LYS 17 6.041 9.994 1.241 168 HE2 LYS 17 HE2 LYS 17 3.956 11.125 1.621 169 HE3 LYS 17 HE1 LYS 17 4.712 12.331 2.745 170 HZ1 LYS 17 HZ1 LYS 17 6.106 12.944 0.728 171 HZ2 LYS 17 HZ2 LYS 17 4.475 13.415 0.742 172 HZ3 LYS 17 HZ3 LYS 17 4.966 12.085 -0.193 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 -2.780 -9.421 -5.783 2 H2 GLU 1 HT2 GLU 1 -1.893 -10.849 -6.028 3 H3 GLU 1 HT3 GLU 1 -1.382 -9.399 -6.750 4 HA GLU 1 HA GLU 1 -0.827 -10.439 -4.185 5 HB2 GLU 1 HB2 GLU 1 0.135 -8.042 -5.842 6 HB3 GLU 1 HB1 GLU 1 0.845 -8.452 -4.240 7 HG2 GLU 1 HG2 GLU 1 1.622 -10.645 -5.062 8 HG3 GLU 1 HG1 GLU 1 0.761 -10.409 -6.634 9 H MET 2 HN MET 2 -2.023 -7.187 -5.315 10 HA MET 2 HA MET 2 -3.378 -6.933 -2.779 11 HB2 MET 2 HB2 MET 2 -1.013 -5.297 -3.560 12 HB3 MET 2 HB1 MET 2 -2.442 -4.340 -3.047 13 HG2 MET 2 HG2 MET 2 -0.597 -6.107 -1.457 14 HG3 MET 2 HG1 MET 2 -1.385 -4.554 -1.040 15 HE1 MET 2 HE1 MET 2 -3.810 -4.517 -1.567 16 HE2 MET 2 HE2 MET 2 -4.618 -4.889 -0.007 17 HE3 MET 2 HE3 MET 2 -4.968 -5.884 -1.465 18 H ARG 3 HN ARG 3 -4.385 -4.478 -2.939 19 HA ARG 3 HA ARG 3 -5.745 -4.545 -5.444 20 HB2 ARG 3 HB2 ARG 3 -6.884 -5.372 -3.220 21 HB3 ARG 3 HB1 ARG 3 -6.820 -3.613 -2.812 22 HG2 ARG 3 HG2 ARG 3 -8.010 -4.390 -5.487 23 HG3 ARG 3 HG1 ARG 3 -8.976 -4.737 -4.006 24 HD2 ARG 3 HD2 ARG 3 -7.730 -2.054 -3.869 25 HD3 ARG 3 HD1 ARG 3 -8.787 -2.228 -5.347 26 HE ARG 3 HE ARG 3 -10.202 -3.326 -3.098 27 HH11 ARG 3 HH11 ARG 3 -8.923 -0.242 -4.336 28 HH12 ARG 3 HH12 ARG 3 -10.126 0.743 -3.573 29 HH21 ARG 3 HH21 ARG 3 -11.842 -1.989 -2.059 30 HH22 ARG 3 HH22 ARG 3 -11.815 -0.269 -2.256 31 H LEU 4 HN LEU 4 -4.251 -3.010 -2.862 32 HA LEU 4 HA LEU 4 -5.140 -0.430 -3.395 33 HB2 LEU 4 HB2 LEU 4 -2.487 -0.601 -2.325 34 HB3 LEU 4 HB1 LEU 4 -3.933 0.071 -1.560 35 HG LEU 4 HG LEU 4 -3.338 -2.833 -1.724 36 HD11 LEU 4 HD11 LEU 4 -1.974 -0.825 -0.260 37 HD12 LEU 4 HD12 LEU 4 -1.760 -2.616 -0.211 38 HD13 LEU 4 HD13 LEU 4 -2.918 -1.812 0.936 39 HD21 LEU 4 HD21 LEU 4 -5.613 -2.752 -1.290 40 HD22 LEU 4 HD22 LEU 4 -5.502 -1.163 -0.423 41 HD23 LEU 4 HD23 LEU 4 -4.967 -2.680 0.401 42 H SER 5 HN SER 5 -2.474 -2.393 -3.809 43 HA SER 5 HA SER 5 -0.473 -1.182 -4.605 44 HB2 SER 5 HB2 SER 5 0.327 -3.166 -5.033 45 HB3 SER 5 HB1 SER 5 -1.347 -3.680 -4.537 46 HG SER 5 HG SER 5 -0.478 -3.157 -7.220 47 H LYS 6 HN LYS 6 -3.132 -0.659 -6.548 48 HA LYS 6 HA LYS 6 -1.446 0.225 -8.732 49 HB2 LYS 6 HB2 LYS 6 -4.350 1.017 -8.026 50 HB3 LYS 6 HB1 LYS 6 -3.488 1.379 -9.562 51 HG2 LYS 6 HG2 LYS 6 -4.247 -1.440 -8.571 52 HG3 LYS 6 HG1 LYS 6 -5.165 -0.483 -9.785 53 HD2 LYS 6 HD2 LYS 6 -3.125 -0.444 -11.264 54 HD3 LYS 6 HD1 LYS 6 -2.248 -1.450 -10.059 55 HE2 LYS 6 HE2 LYS 6 -3.933 -3.294 -10.367 56 HE3 LYS 6 HE1 LYS 6 -4.807 -2.279 -11.590 57 HZ1 LYS 6 HZ1 LYS 6 -2.152 -2.288 -12.337 58 HZ2 LYS 6 HZ2 LYS 6 -3.445 -3.115 -13.062 59 HZ3 LYS 6 HZ3 LYS 6 -2.496 -3.888 -11.885 60 H PHE 7 HN PHE 7 -1.772 0.445 -5.485 61 HA PHE 7 HA PHE 7 -2.140 3.206 -5.000 62 HB2 PHE 7 HB2 PHE 7 -3.159 1.279 -3.935 63 HB3 PHE 7 HB1 PHE 7 -1.649 0.836 -3.183 64 HD1 PHE 7 HD1 PHE 7 -4.587 1.572 -2.437 65 HD2 PHE 7 HD2 PHE 7 -0.798 3.384 -2.368 66 HE1 PHE 7 HE1 PHE 7 -5.011 2.499 -0.275 67 HE2 PHE 7 HE2 PHE 7 -1.056 4.341 -0.390 68 HZ PHE 7 HZ PHE 7 -3.309 4.000 0.861 69 H PHE 8 HN PHE 8 -0.192 0.607 -3.641 70 HA PHE 8 HA PHE 8 1.214 2.680 -2.332 71 HB2 PHE 8 HB2 PHE 8 2.617 0.555 -1.555 72 HB3 PHE 8 HB1 PHE 8 1.071 0.926 -0.748 73 HD1 PHE 8 HD1 PHE 8 3.058 -1.174 -2.201 74 HD2 PHE 8 HD2 PHE 8 -0.902 -0.059 -1.689 75 HE1 PHE 8 HE1 PHE 8 2.444 -3.293 -2.831 76 HE2 PHE 8 HE2 PHE 8 -1.562 -2.234 -2.358 77 HZ PHE 8 HZ PHE 8 0.112 -3.866 -2.887 78 H ARG 9 HN ARG 9 1.128 0.134 -4.348 79 HA ARG 9 HA ARG 9 3.803 0.064 -4.797 80 HB2 ARG 9 HB2 ARG 9 1.302 -1.064 -5.781 81 HB3 ARG 9 HB1 ARG 9 2.596 -0.950 -7.050 82 HG2 ARG 9 HG2 ARG 9 3.104 -2.241 -4.328 83 HG3 ARG 9 HG1 ARG 9 2.324 -3.175 -5.646 84 HD2 ARG 9 HD2 ARG 9 5.035 -1.721 -5.935 85 HD3 ARG 9 HD1 ARG 9 4.873 -3.473 -5.480 86 HE ARG 9 HE ARG 9 4.378 -2.282 -8.149 87 HH11 ARG 9 HH11 ARG 9 3.823 -4.997 -5.904 88 HH12 ARG 9 HH12 ARG 9 3.477 -6.156 -7.146 89 HH21 ARG 9 HH21 ARG 9 3.916 -3.859 -9.835 90 HH22 ARG 9 HH22 ARG 9 3.537 -5.496 -9.417 91 H ASP 10 HN ASP 10 1.456 2.136 -5.028 92 HA ASP 10 HA ASP 10 2.670 3.189 -7.285 93 HB2 ASP 10 HB2 ASP 10 0.492 2.202 -7.465 94 HB3 ASP 10 HB1 ASP 10 -0.070 3.677 -6.596 95 H DPN 11 HN DPN 11 2.303 3.671 -3.991 96 HA DPN 11 HA DPN 11 2.021 6.525 -4.478 97 HB2 DPN 11 HB1 DPN 11 4.527 6.258 -3.242 98 HB3 DPN 11 HB2 DPN 11 4.188 6.970 -4.863 99 HD1 DPN 11 HD1 DPN 11 4.529 5.521 -6.850 100 HD2 DPN 11 HD2 DPN 11 4.933 4.439 -2.871 101 HE1 DPN 11 HE1 DPN 11 4.921 3.165 -7.444 102 HE2 DPN 11 HE2 DPN 11 5.308 2.256 -3.417 103 HZ DPN 11 HZ DPN 11 5.214 1.687 -5.557 104 H ILE 12 HN ILE 12 3.896 4.838 -2.042 105 HA ILE 12 HA ILE 12 3.386 6.738 -0.118 106 HB ILE 12 HB ILE 12 2.487 4.662 1.357 107 HG12 ILE 12 HG12 ILE 12 0.652 3.620 0.073 108 HG13 ILE 12 HG11 ILE 12 1.211 4.508 -1.406 109 HG21 ILE 12 HG21 ILE 12 0.103 5.954 0.641 110 HG22 ILE 12 HG22 ILE 12 1.344 7.179 0.182 111 HG23 ILE 12 HG23 ILE 12 1.267 6.563 1.877 112 HD11 ILE 12 HD11 ILE 12 3.414 3.344 -0.076 113 HD12 ILE 12 HD12 ILE 12 2.848 3.127 -1.747 114 HD13 ILE 12 HD13 ILE 12 2.207 2.131 -0.365 115 H LEU 13 HN LEU 13 4.934 4.296 -1.711 116 HA LEU 13 HA LEU 13 6.635 3.506 0.538 117 HB2 LEU 13 HB2 LEU 13 6.661 2.433 -2.298 118 HB3 LEU 13 HB1 LEU 13 7.187 1.590 -0.796 119 HG LEU 13 HG LEU 13 4.421 2.417 -1.596 120 HD11 LEU 13 HD11 LEU 13 6.053 0.106 -2.256 121 HD12 LEU 13 HD12 LEU 13 4.437 0.604 -2.878 122 HD13 LEU 13 HD13 LEU 13 4.562 -0.407 -1.371 123 HD21 LEU 13 HD21 LEU 13 4.780 2.598 0.824 124 HD22 LEU 13 HD22 LEU 13 5.432 0.898 0.882 125 HD23 LEU 13 HD23 LEU 13 3.698 1.183 0.459 126 H GLN 14 HN GLN 14 6.637 4.399 -2.938 127 HA GLN 14 HA GLN 14 9.467 4.701 -2.995 128 HB2 GLN 14 HB2 GLN 14 7.476 6.279 -4.699 129 HB3 GLN 14 HB1 GLN 14 9.203 5.958 -5.094 130 HG2 GLN 14 HG2 GLN 14 6.868 4.064 -5.014 131 HG3 GLN 14 HG1 GLN 14 7.913 4.448 -6.425 132 HE21 GLN 14 HE21 GLN 14 7.262 2.464 -3.801 133 HE22 GLN 14 HE22 GLN 14 8.713 1.500 -3.768 134 H ARG 15 HN ARG 15 6.799 6.377 -1.770 135 HA ARG 15 HA ARG 15 8.449 8.781 -1.596 136 HB2 ARG 15 HB2 ARG 15 5.668 8.822 -0.469 137 HB3 ARG 15 HB1 ARG 15 6.530 10.090 -1.402 138 HG2 ARG 15 HG2 ARG 15 5.747 9.333 -3.421 139 HG3 ARG 15 HG1 ARG 15 5.840 7.601 -2.932 140 HD2 ARG 15 HD2 ARG 15 3.462 8.273 -3.201 141 HD3 ARG 15 HD1 ARG 15 3.828 7.910 -1.456 142 HE ARG 15 HE ARG 15 3.573 10.240 -0.963 143 HH11 ARG 15 HH11 ARG 15 3.556 9.631 -4.482 144 HH12 ARG 15 HH12 ARG 15 3.015 11.220 -4.907 145 HH21 ARG 15 HH21 ARG 15 2.839 12.393 -1.549 146 HH22 ARG 15 HH22 ARG 15 2.602 12.816 -3.213 147 H LYS 16 HN LYS 16 6.863 6.129 -0.023 148 HA LYS 16 HA LYS 16 7.009 5.216 1.911 149 HB2 LYS 16 HB2 LYS 16 8.831 7.519 2.696 150 HB3 LYS 16 HB1 LYS 16 8.456 6.139 3.770 151 HG2 LYS 16 HG2 LYS 16 9.847 5.924 1.032 152 HG3 LYS 16 HG1 LYS 16 10.689 5.935 2.621 153 HD2 LYS 16 HD2 LYS 16 9.342 3.885 3.287 154 HD3 LYS 16 HD1 LYS 16 8.639 3.856 1.634 155 HE2 LYS 16 HE2 LYS 16 10.519 2.246 1.762 156 HE3 LYS 16 HE1 LYS 16 11.003 3.625 0.689 157 HZ1 LYS 16 HZ1 LYS 16 11.635 4.144 3.413 158 HZ2 LYS 16 HZ2 LYS 16 12.638 4.105 2.043 159 HZ3 LYS 16 HZ3 LYS 16 12.317 2.676 2.903 160 H LYS 17 HN LYS 17 5.365 7.769 1.104 161 HA LYS 17 HA LYS 17 3.697 7.575 3.310 162 HB2 LYS 17 HB2 LYS 17 3.845 10.142 3.915 163 HB3 LYS 17 HB1 LYS 17 4.985 8.997 4.693 164 HG2 LYS 17 HG2 LYS 17 6.524 10.569 4.048 165 HG3 LYS 17 HG1 LYS 17 6.494 9.619 2.528 166 HD2 LYS 17 HD2 LYS 17 4.458 11.341 1.961 167 HD3 LYS 17 HD1 LYS 17 5.360 12.367 3.129 168 HE2 LYS 17 HE2 LYS 17 6.587 11.038 0.619 169 HE3 LYS 17 HE1 LYS 17 6.086 12.777 0.753 170 HZ1 LYS 17 HZ1 LYS 17 8.398 11.400 1.811 171 HZ2 LYS 17 HZ2 LYS 17 7.649 12.463 2.905 172 HZ3 LYS 17 HZ3 LYS 17 8.175 13.031 1.393 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 0.312 -10.082 -5.102 2 H2 GLU 1 HT2 GLU 1 -0.189 -10.851 -3.673 3 H3 GLU 1 HT3 GLU 1 -0.059 -9.159 -3.725 4 HA GLU 1 HA GLU 1 -1.725 -9.659 -5.762 5 HB2 GLU 1 HB2 GLU 1 -2.457 -11.483 -3.395 6 HB3 GLU 1 HB1 GLU 1 -3.501 -11.172 -4.826 7 HG2 GLU 1 HG2 GLU 1 -0.727 -12.550 -4.894 8 HG3 GLU 1 HG1 GLU 1 -2.329 -13.378 -5.020 9 H MET 2 HN MET 2 -1.360 -7.335 -4.835 10 HA MET 2 HA MET 2 -3.264 -6.868 -2.663 11 HB2 MET 2 HB2 MET 2 -0.851 -5.386 -3.676 12 HB3 MET 2 HB1 MET 2 -2.226 -4.387 -3.091 13 HG2 MET 2 HG2 MET 2 -0.282 -6.101 -1.575 14 HG3 MET 2 HG1 MET 2 -1.066 -4.548 -1.149 15 HE1 MET 2 HE1 MET 2 -4.112 -4.776 0.087 16 HE2 MET 2 HE2 MET 2 -4.701 -5.936 -1.153 17 HE3 MET 2 HE3 MET 2 -3.563 -4.633 -1.617 18 H ARG 3 HN ARG 3 -4.246 -4.553 -2.928 19 HA ARG 3 HA ARG 3 -5.530 -4.618 -5.499 20 HB2 ARG 3 HB2 ARG 3 -6.491 -4.368 -2.692 21 HB3 ARG 3 HB1 ARG 3 -7.459 -3.612 -4.010 22 HG2 ARG 3 HG2 ARG 3 -8.505 -5.723 -3.681 23 HG3 ARG 3 HG1 ARG 3 -7.430 -6.014 -5.097 24 HD2 ARG 3 HD2 ARG 3 -6.148 -7.537 -3.942 25 HD3 ARG 3 HD1 ARG 3 -6.045 -6.452 -2.480 26 HE ARG 3 HE ARG 3 -8.687 -7.400 -2.483 27 HH11 ARG 3 HH11 ARG 3 -5.422 -8.832 -2.560 28 HH12 ARG 3 HH12 ARG 3 -5.863 -10.261 -1.684 29 HH21 ARG 3 HH21 ARG 3 -9.283 -9.345 -1.293 30 HH22 ARG 3 HH22 ARG 3 -8.094 -10.555 -0.953 31 H LEU 4 HN LEU 4 -4.059 -3.117 -2.916 32 HA LEU 4 HA LEU 4 -5.039 -0.537 -3.390 33 HB2 LEU 4 HB2 LEU 4 -2.376 -0.655 -2.338 34 HB3 LEU 4 HB1 LEU 4 -3.835 -0.030 -1.556 35 HG LEU 4 HG LEU 4 -3.167 -2.915 -1.766 36 HD11 LEU 4 HD11 LEU 4 -1.847 -0.898 -0.282 37 HD12 LEU 4 HD12 LEU 4 -1.596 -2.685 -0.252 38 HD13 LEU 4 HD13 LEU 4 -2.767 -1.918 0.907 39 HD21 LEU 4 HD21 LEU 4 -5.418 -2.964 -1.298 40 HD22 LEU 4 HD22 LEU 4 -5.400 -1.329 -0.514 41 HD23 LEU 4 HD23 LEU 4 -4.798 -2.770 0.396 42 H SER 5 HN SER 5 -2.336 -2.426 -3.848 43 HA SER 5 HA SER 5 -0.365 -1.174 -4.645 44 HB2 SER 5 HB2 SER 5 0.458 -3.143 -5.103 45 HB3 SER 5 HB1 SER 5 -1.207 -3.689 -4.606 46 HG SER 5 HG SER 5 -0.364 -3.107 -7.287 47 H LYS 6 HN LYS 6 -3.057 -0.683 -6.568 48 HA LYS 6 HA LYS 6 -1.415 0.269 -8.753 49 HB2 LYS 6 HB2 LYS 6 -4.336 0.900 -7.958 50 HB3 LYS 6 HB1 LYS 6 -3.521 1.441 -9.467 51 HG2 LYS 6 HG2 LYS 6 -3.399 -0.829 -10.327 52 HG3 LYS 6 HG1 LYS 6 -3.909 -1.524 -8.750 53 HD2 LYS 6 HD2 LYS 6 -5.815 -1.591 -10.247 54 HD3 LYS 6 HD1 LYS 6 -6.130 -0.337 -8.998 55 HE2 LYS 6 HE2 LYS 6 -5.518 1.468 -10.610 56 HE3 LYS 6 HE1 LYS 6 -5.103 0.226 -11.866 57 HZ1 LYS 6 HZ1 LYS 6 -7.482 1.387 -11.590 58 HZ2 LYS 6 HZ2 LYS 6 -7.736 -0.018 -10.671 59 HZ3 LYS 6 HZ3 LYS 6 -7.236 -0.141 -12.289 60 H PHE 7 HN PHE 7 -1.702 0.440 -5.495 61 HA PHE 7 HA PHE 7 -2.120 3.186 -4.967 62 HB2 PHE 7 HB2 PHE 7 -3.092 1.224 -3.924 63 HB3 PHE 7 HB1 PHE 7 -1.569 0.800 -3.190 64 HD1 PHE 7 HD1 PHE 7 -4.515 1.474 -2.419 65 HD2 PHE 7 HD2 PHE 7 -0.757 3.347 -2.343 66 HE1 PHE 7 HE1 PHE 7 -4.944 2.364 -0.240 67 HE2 PHE 7 HE2 PHE 7 -1.020 4.272 -0.350 68 HZ PHE 7 HZ PHE 7 -3.259 3.877 0.908 69 H PHE 8 HN PHE 8 -0.111 0.606 -3.662 70 HA PHE 8 HA PHE 8 1.266 2.686 -2.335 71 HB2 PHE 8 HB2 PHE 8 2.716 0.575 -1.603 72 HB3 PHE 8 HB1 PHE 8 1.174 0.907 -0.774 73 HD1 PHE 8 HD1 PHE 8 3.182 -1.136 -2.278 74 HD2 PHE 8 HD2 PHE 8 -0.792 -0.100 -1.708 75 HE1 PHE 8 HE1 PHE 8 2.599 -3.256 -2.933 76 HE2 PHE 8 HE2 PHE 8 -1.420 -2.275 -2.403 77 HZ PHE 8 HZ PHE 8 0.277 -3.871 -2.975 78 H ARG 9 HN ARG 9 1.219 0.158 -4.378 79 HA ARG 9 HA ARG 9 3.887 0.153 -4.861 80 HB2 ARG 9 HB2 ARG 9 1.401 -1.008 -5.840 81 HB3 ARG 9 HB1 ARG 9 2.673 -0.838 -7.124 82 HG2 ARG 9 HG2 ARG 9 3.199 -2.201 -4.435 83 HG3 ARG 9 HG1 ARG 9 2.491 -3.105 -5.812 84 HD2 ARG 9 HD2 ARG 9 5.174 -1.568 -5.902 85 HD3 ARG 9 HD1 ARG 9 5.018 -3.359 -5.637 86 HE ARG 9 HE ARG 9 4.594 -1.897 -8.186 87 HH11 ARG 9 HH11 ARG 9 4.054 -4.856 -6.268 88 HH12 ARG 9 HH12 ARG 9 3.784 -5.878 -7.640 89 HH21 ARG 9 HH21 ARG 9 4.225 -3.289 -10.044 90 HH22 ARG 9 HH22 ARG 9 3.883 -4.972 -9.821 91 H ASP 10 HN ASP 10 1.499 2.184 -5.040 92 HA ASP 10 HA ASP 10 2.661 3.293 -7.297 93 HB2 ASP 10 HB2 ASP 10 0.474 2.245 -7.380 94 HB3 ASP 10 HB1 ASP 10 -0.072 3.771 -6.593 95 H DPN 11 HN DPN 11 2.321 3.720 -3.990 96 HA DPN 11 HA DPN 11 1.980 6.576 -4.430 97 HB2 DPN 11 HB1 DPN 11 4.501 6.339 -3.219 98 HB3 DPN 11 HB2 DPN 11 4.134 7.070 -4.827 99 HD1 DPN 11 HD1 DPN 11 4.483 5.657 -6.837 100 HD2 DPN 11 HD2 DPN 11 4.946 4.525 -2.880 101 HE1 DPN 11 HE1 DPN 11 4.915 3.318 -7.470 102 HE2 DPN 11 HE2 DPN 11 5.360 2.358 -3.461 103 HZ DPN 11 HZ DPN 11 5.255 1.818 -5.608 104 H ILE 12 HN ILE 12 3.907 4.890 -2.036 105 HA ILE 12 HA ILE 12 3.379 6.749 -0.079 106 HB ILE 12 HB ILE 12 2.529 4.638 1.372 107 HG12 ILE 12 HG12 ILE 12 0.706 3.578 0.088 108 HG13 ILE 12 HG11 ILE 12 1.234 4.498 -1.382 109 HG21 ILE 12 HG21 ILE 12 1.276 6.505 1.929 110 HG22 ILE 12 HG22 ILE 12 0.117 5.898 0.686 111 HG23 ILE 12 HG23 ILE 12 1.335 7.152 0.244 112 HD11 ILE 12 HD11 ILE 12 2.898 3.161 -1.758 113 HD12 ILE 12 HD12 ILE 12 2.292 2.127 -0.384 114 HD13 ILE 12 HD13 ILE 12 3.469 3.353 -0.086 115 H LEU 13 HN LEU 13 4.959 4.362 -1.723 116 HA LEU 13 HA LEU 13 6.692 3.569 0.502 117 HB2 LEU 13 HB2 LEU 13 6.716 2.542 -2.352 118 HB3 LEU 13 HB1 LEU 13 7.270 1.686 -0.868 119 HG LEU 13 HG LEU 13 4.482 2.472 -1.631 120 HD11 LEU 13 HD11 LEU 13 4.681 -0.353 -1.456 121 HD12 LEU 13 HD12 LEU 13 6.154 0.205 -2.344 122 HD13 LEU 13 HD13 LEU 13 4.523 0.678 -2.941 123 HD21 LEU 13 HD21 LEU 13 4.858 2.619 0.788 124 HD22 LEU 13 HD22 LEU 13 5.544 0.933 0.813 125 HD23 LEU 13 HD23 LEU 13 3.801 1.189 0.409 126 H GLN 14 HN GLN 14 6.649 4.518 -2.959 127 HA GLN 14 HA GLN 14 9.472 4.875 -3.035 128 HB2 GLN 14 HB2 GLN 14 7.435 6.440 -4.696 129 HB3 GLN 14 HB1 GLN 14 9.165 6.162 -5.110 130 HG2 GLN 14 HG2 GLN 14 6.868 4.220 -5.045 131 HG3 GLN 14 HG1 GLN 14 7.896 4.648 -6.456 132 HE21 GLN 14 HE21 GLN 14 7.301 2.609 -3.860 133 HE22 GLN 14 HE22 GLN 14 8.770 1.672 -3.852 134 H ARG 15 HN ARG 15 6.781 6.478 -1.762 135 HA ARG 15 HA ARG 15 8.386 8.910 -1.559 136 HB2 ARG 15 HB2 ARG 15 5.614 8.878 -0.412 137 HB3 ARG 15 HB1 ARG 15 6.443 10.179 -1.327 138 HG2 ARG 15 HG2 ARG 15 5.661 9.443 -3.355 139 HG3 ARG 15 HG1 ARG 15 5.791 7.704 -2.898 140 HD2 ARG 15 HD2 ARG 15 3.400 8.324 -3.137 141 HD3 ARG 15 HD1 ARG 15 3.785 7.952 -1.398 142 HE ARG 15 HE ARG 15 3.475 10.268 -0.880 143 HH11 ARG 15 HH11 ARG 15 3.471 9.700 -4.406 144 HH12 ARG 15 HH12 ARG 15 2.885 11.278 -4.812 145 HH21 ARG 15 HH21 ARG 15 2.680 12.408 -1.442 146 HH22 ARG 15 HH22 ARG 15 2.429 12.842 -3.099 147 H LYS 16 HN LYS 16 6.865 6.201 -0.020 148 HA LYS 16 HA LYS 16 7.042 5.260 1.899 149 HB2 LYS 16 HB2 LYS 16 8.844 7.579 2.682 150 HB3 LYS 16 HB1 LYS 16 8.474 6.213 3.774 151 HG2 LYS 16 HG2 LYS 16 9.871 5.980 1.041 152 HG3 LYS 16 HG1 LYS 16 10.703 5.985 2.635 153 HD2 LYS 16 HD2 LYS 16 9.256 3.954 3.275 154 HD3 LYS 16 HD1 LYS 16 8.701 3.902 1.567 155 HE2 LYS 16 HE2 LYS 16 11.663 3.715 2.455 156 HE3 LYS 16 HE1 LYS 16 10.612 2.303 2.021 157 HZ1 LYS 16 HZ1 LYS 16 11.342 2.669 -0.007 158 HZ2 LYS 16 HZ2 LYS 16 11.936 4.221 0.345 159 HZ3 LYS 16 HZ3 LYS 16 10.295 4.010 -0.061 160 H LYS 17 HN LYS 17 5.358 7.816 1.148 161 HA LYS 17 HA LYS 17 3.698 7.538 3.355 162 HB2 LYS 17 HB2 LYS 17 3.809 10.104 4.004 163 HB3 LYS 17 HB1 LYS 17 4.951 8.953 4.771 164 HG2 LYS 17 HG2 LYS 17 6.478 10.556 4.165 165 HG3 LYS 17 HG1 LYS 17 6.479 9.620 2.636 166 HD2 LYS 17 HD2 LYS 17 4.463 11.306 2.007 167 HD3 LYS 17 HD1 LYS 17 5.250 12.332 3.257 168 HE2 LYS 17 HE2 LYS 17 7.430 12.181 2.012 169 HE3 LYS 17 HE1 LYS 17 6.629 11.145 0.755 170 HZ1 LYS 17 HZ1 LYS 17 5.247 13.612 1.339 171 HZ2 LYS 17 HZ2 LYS 17 5.670 12.902 -0.146 172 HZ3 LYS 17 HZ3 LYS 17 6.810 13.826 0.709 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 -1.044 -9.369 -6.586 2 H2 GLU 1 HT2 GLU 1 -2.673 -9.251 -6.117 3 H3 GLU 1 HT3 GLU 1 -1.980 -10.774 -6.408 4 HA GLU 1 HA GLU 1 -1.695 -10.879 -4.243 5 HB2 GLU 1 HB2 GLU 1 0.402 -8.706 -4.831 6 HB3 GLU 1 HB1 GLU 1 0.410 -9.795 -3.400 7 HG2 GLU 1 HG2 GLU 1 0.675 -10.706 -6.349 8 HG3 GLU 1 HG1 GLU 1 2.022 -10.580 -5.150 9 H MET 2 HN MET 2 -1.755 -7.395 -5.228 10 HA MET 2 HA MET 2 -3.319 -6.924 -2.797 11 HB2 MET 2 HB2 MET 2 -0.906 -5.429 -3.796 12 HB3 MET 2 HB1 MET 2 -2.280 -4.437 -3.199 13 HG2 MET 2 HG2 MET 2 -0.333 -6.165 -1.704 14 HG3 MET 2 HG1 MET 2 -1.114 -4.617 -1.262 15 HE1 MET 2 HE1 MET 2 -4.146 -4.840 -0.021 16 HE2 MET 2 HE2 MET 2 -4.759 -6.003 -1.247 17 HE3 MET 2 HE3 MET 2 -3.621 -4.705 -1.733 18 H ARG 3 HN ARG 3 -4.299 -4.604 -3.038 19 HA ARG 3 HA ARG 3 -5.583 -4.643 -5.609 20 HB2 ARG 3 HB2 ARG 3 -6.548 -4.416 -2.799 21 HB3 ARG 3 HB1 ARG 3 -7.527 -3.684 -4.124 22 HG2 ARG 3 HG2 ARG 3 -8.563 -5.785 -3.926 23 HG3 ARG 3 HG1 ARG 3 -7.327 -6.150 -5.183 24 HD2 ARG 3 HD2 ARG 3 -6.625 -7.848 -3.787 25 HD3 ARG 3 HD1 ARG 3 -5.926 -6.527 -2.740 26 HE ARG 3 HE ARG 3 -8.732 -6.837 -2.129 27 HH11 ARG 3 HH11 ARG 3 -5.591 -8.500 -1.873 28 HH12 ARG 3 HH12 ARG 3 -5.986 -9.355 -0.420 29 HH21 ARG 3 HH21 ARG 3 -9.272 -8.001 -0.151 30 HH22 ARG 3 HH22 ARG 3 -8.115 -9.066 0.575 31 H LEU 4 HN LEU 4 -4.112 -3.169 -3.011 32 HA LEU 4 HA LEU 4 -5.109 -0.590 -3.445 33 HB2 LEU 4 HB2 LEU 4 -2.446 -0.714 -2.391 34 HB3 LEU 4 HB1 LEU 4 -3.908 -0.106 -1.603 35 HG LEU 4 HG LEU 4 -3.228 -2.985 -1.854 36 HD11 LEU 4 HD11 LEU 4 -2.838 -2.041 0.835 37 HD12 LEU 4 HD12 LEU 4 -1.929 -0.981 -0.330 38 HD13 LEU 4 HD13 LEU 4 -1.658 -2.765 -0.340 39 HD21 LEU 4 HD21 LEU 4 -4.865 -2.861 0.314 40 HD22 LEU 4 HD22 LEU 4 -5.473 -3.069 -1.383 41 HD23 LEU 4 HD23 LEU 4 -5.481 -1.431 -0.606 42 H SER 5 HN SER 5 -2.398 -2.462 -3.927 43 HA SER 5 HA SER 5 -0.429 -1.194 -4.703 44 HB2 SER 5 HB2 SER 5 0.398 -3.153 -5.197 45 HB3 SER 5 HB1 SER 5 -1.265 -3.710 -4.701 46 HG SER 5 HG SER 5 -0.417 -3.098 -7.374 47 H LYS 6 HN LYS 6 -3.122 -0.683 -6.630 48 HA LYS 6 HA LYS 6 -1.480 0.307 -8.793 49 HB2 LYS 6 HB2 LYS 6 -4.399 0.904 -7.965 50 HB3 LYS 6 HB1 LYS 6 -3.599 1.491 -9.467 51 HG2 LYS 6 HG2 LYS 6 -3.385 -0.824 -10.310 52 HG3 LYS 6 HG1 LYS 6 -4.071 -1.475 -8.781 53 HD2 LYS 6 HD2 LYS 6 -6.209 -0.303 -9.215 54 HD3 LYS 6 HD1 LYS 6 -5.537 0.415 -10.720 55 HE2 LYS 6 HE2 LYS 6 -6.959 -1.546 -11.280 56 HE3 LYS 6 HE1 LYS 6 -5.229 -1.937 -11.654 57 HZ1 LYS 6 HZ1 LYS 6 -6.916 -3.398 -10.129 58 HZ2 LYS 6 HZ2 LYS 6 -6.000 -2.575 -8.960 59 HZ3 LYS 6 HZ3 LYS 6 -5.222 -3.517 -10.140 60 H PHE 7 HN PHE 7 -1.771 0.430 -5.529 61 HA PHE 7 HA PHE 7 -2.197 3.166 -4.961 62 HB2 PHE 7 HB2 PHE 7 -3.163 1.185 -3.949 63 HB3 PHE 7 HB1 PHE 7 -1.640 0.754 -3.218 64 HD1 PHE 7 HD1 PHE 7 -4.592 1.411 -2.443 65 HD2 PHE 7 HD2 PHE 7 -0.837 3.286 -2.327 66 HE1 PHE 7 HE1 PHE 7 -5.027 2.262 -0.251 67 HE2 PHE 7 HE2 PHE 7 -1.104 4.175 -0.319 68 HZ PHE 7 HZ PHE 7 -3.347 3.756 0.927 69 H PHE 8 HN PHE 8 -0.183 0.573 -3.692 70 HA PHE 8 HA PHE 8 1.191 2.637 -2.334 71 HB2 PHE 8 HB2 PHE 8 2.639 0.517 -1.630 72 HB3 PHE 8 HB1 PHE 8 1.096 0.836 -0.798 73 HD1 PHE 8 HD1 PHE 8 3.109 -1.172 -2.354 74 HD2 PHE 8 HD2 PHE 8 -0.867 -0.170 -1.737 75 HE1 PHE 8 HE1 PHE 8 2.538 -3.279 -3.049 76 HE2 PHE 8 HE2 PHE 8 -1.485 -2.337 -2.474 77 HZ PHE 8 HZ PHE 8 0.218 -3.909 -3.088 78 H ARG 9 HN ARG 9 1.143 0.154 -4.430 79 HA ARG 9 HA ARG 9 3.816 0.160 -4.889 80 HB2 ARG 9 HB2 ARG 9 1.338 -0.997 -5.895 81 HB3 ARG 9 HB1 ARG 9 2.621 -0.813 -7.166 82 HG2 ARG 9 HG2 ARG 9 3.230 -2.152 -4.494 83 HG3 ARG 9 HG1 ARG 9 2.387 -3.079 -5.779 84 HD2 ARG 9 HD2 ARG 9 5.024 -1.575 -6.299 85 HD3 ARG 9 HD1 ARG 9 4.984 -3.290 -5.693 86 HE ARG 9 HE ARG 9 3.244 -3.157 -7.950 87 HH11 ARG 9 HH11 ARG 9 6.677 -2.683 -7.127 88 HH12 ARG 9 HH12 ARG 9 7.276 -3.175 -8.675 89 HH21 ARG 9 HH21 ARG 9 4.058 -3.827 -10.056 90 HH22 ARG 9 HH22 ARG 9 5.760 -3.836 -10.370 91 H ASP 10 HN ASP 10 1.422 2.184 -5.040 92 HA ASP 10 HA ASP 10 2.594 3.332 -7.271 93 HB2 ASP 10 HB2 ASP 10 0.438 2.302 -7.469 94 HB3 ASP 10 HB1 ASP 10 -0.152 3.736 -6.554 95 H DPN 11 HN DPN 11 2.241 3.708 -3.963 96 HA DPN 11 HA DPN 11 1.885 6.570 -4.364 97 HB2 DPN 11 HB1 DPN 11 4.405 6.327 -3.148 98 HB3 DPN 11 HB2 DPN 11 4.041 7.079 -4.743 99 HD1 DPN 11 HD1 DPN 11 4.397 5.696 -6.776 100 HD2 DPN 11 HD2 DPN 11 4.863 4.506 -2.832 101 HE1 DPN 11 HE1 DPN 11 4.839 3.368 -7.445 102 HE2 DPN 11 HE2 DPN 11 5.285 2.347 -3.447 103 HZ DPN 11 HZ DPN 11 5.182 1.838 -5.608 104 H ILE 12 HN ILE 12 3.827 4.872 -2.006 105 HA ILE 12 HA ILE 12 3.243 6.677 -0.006 106 HB ILE 12 HB ILE 12 2.424 4.525 1.401 107 HG12 ILE 12 HG12 ILE 12 0.632 3.453 0.087 108 HG13 ILE 12 HG11 ILE 12 1.152 4.408 -1.364 109 HG21 ILE 12 HG21 ILE 12 0.035 5.863 0.416 110 HG22 ILE 12 HG22 ILE 12 1.346 7.092 0.525 111 HG23 ILE 12 HG23 ILE 12 0.887 6.130 1.983 112 HD11 ILE 12 HD11 ILE 12 2.254 2.043 -0.407 113 HD12 ILE 12 HD12 ILE 12 3.398 3.295 -0.064 114 HD13 ILE 12 HD13 ILE 12 2.834 3.103 -1.749 115 H LEU 13 HN LEU 13 4.847 4.282 -1.672 116 HA LEU 13 HA LEU 13 6.609 3.501 0.531 117 HB2 LEU 13 HB2 LEU 13 6.633 2.494 -2.327 118 HB3 LEU 13 HB1 LEU 13 7.190 1.631 -0.847 119 HG LEU 13 HG LEU 13 4.409 2.422 -1.607 120 HD11 LEU 13 HD11 LEU 13 6.076 0.135 -2.304 121 HD12 LEU 13 HD12 LEU 13 4.477 0.657 -2.953 122 HD13 LEU 13 HD13 LEU 13 4.563 -0.390 -1.468 123 HD21 LEU 13 HD21 LEU 13 5.472 0.873 0.832 124 HD22 LEU 13 HD22 LEU 13 3.729 1.124 0.431 125 HD23 LEU 13 HD23 LEU 13 4.787 2.558 0.819 126 H GLN 14 HN GLN 14 6.576 4.473 -2.933 127 HA GLN 14 HA GLN 14 9.405 4.759 -3.010 128 HB2 GLN 14 HB2 GLN 14 7.419 6.415 -4.644 129 HB3 GLN 14 HB1 GLN 14 9.139 6.087 -5.063 130 HG2 GLN 14 HG2 GLN 14 6.789 4.212 -5.015 131 HG3 GLN 14 HG1 GLN 14 7.809 4.639 -6.430 132 HE21 GLN 14 HE21 GLN 14 7.202 2.568 -3.858 133 HE22 GLN 14 HE22 GLN 14 8.648 1.598 -3.888 134 H ARG 15 HN ARG 15 6.783 6.395 -1.688 135 HA ARG 15 HA ARG 15 8.417 8.799 -1.475 136 HB2 ARG 15 HB2 ARG 15 5.674 8.757 -0.225 137 HB3 ARG 15 HB1 ARG 15 6.484 10.072 -1.143 138 HG2 ARG 15 HG2 ARG 15 5.643 9.374 -3.163 139 HG3 ARG 15 HG1 ARG 15 5.750 7.628 -2.726 140 HD2 ARG 15 HD2 ARG 15 3.356 8.424 -2.917 141 HD3 ARG 15 HD1 ARG 15 3.780 7.812 -1.260 142 HE ARG 15 HE ARG 15 3.534 10.024 -0.419 143 HH11 ARG 15 HH11 ARG 15 3.598 10.002 -3.991 144 HH12 ARG 15 HH12 ARG 15 3.125 11.658 -4.159 145 HH21 ARG 15 HH21 ARG 15 2.892 12.273 -0.660 146 HH22 ARG 15 HH22 ARG 15 2.718 12.970 -2.236 147 H LYS 16 HN LYS 16 6.882 6.076 0.124 148 HA LYS 16 HA LYS 16 6.869 5.268 2.150 149 HB2 LYS 16 HB2 LYS 16 9.130 7.247 2.669 150 HB3 LYS 16 HB1 LYS 16 8.608 6.007 3.846 151 HG2 LYS 16 HG2 LYS 16 9.825 5.476 1.070 152 HG3 LYS 16 HG1 LYS 16 10.686 5.345 2.638 153 HD2 LYS 16 HD2 LYS 16 8.908 3.607 3.338 154 HD3 LYS 16 HD1 LYS 16 8.341 3.625 1.634 155 HE2 LYS 16 HE2 LYS 16 11.227 2.941 2.523 156 HE3 LYS 16 HE1 LYS 16 9.948 1.732 2.085 157 HZ1 LYS 16 HZ1 LYS 16 11.632 3.308 0.416 158 HZ2 LYS 16 HZ2 LYS 16 9.992 3.535 0.019 159 HZ3 LYS 16 HZ3 LYS 16 10.658 1.968 0.040 160 H LYS 17 HN LYS 17 5.456 7.625 1.234 161 HA LYS 17 HA LYS 17 4.211 9.283 1.873 162 HB2 LYS 17 HB2 LYS 17 3.939 7.282 4.009 163 HB3 LYS 17 HB1 LYS 17 3.723 8.943 4.671 164 HG2 LYS 17 HG2 LYS 17 2.211 7.657 2.340 165 HG3 LYS 17 HG1 LYS 17 1.549 8.098 3.953 166 HD2 LYS 17 HD2 LYS 17 1.031 10.165 3.169 167 HD3 LYS 17 HD1 LYS 17 2.767 10.473 2.828 168 HE2 LYS 17 HE2 LYS 17 1.791 10.791 0.702 169 HE3 LYS 17 HE1 LYS 17 2.305 9.053 0.609 170 HZ1 LYS 17 HZ1 LYS 17 -0.104 8.774 1.638 171 HZ2 LYS 17 HZ2 LYS 17 0.184 8.862 -0.034 172 HZ3 LYS 17 HZ3 LYS 17 -0.360 10.232 0.809 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 0.497 -9.626 -3.421 2 H2 GLU 1 HT2 GLU 1 0.830 -8.782 -4.858 3 H3 GLU 1 HT3 GLU 1 0.826 -10.480 -4.853 4 HA GLU 1 HA GLU 1 -1.169 -9.304 -5.814 5 HB2 GLU 1 HB2 GLU 1 -1.055 -11.756 -5.223 6 HB3 GLU 1 HB1 GLU 1 -1.557 -11.344 -3.545 7 HG2 GLU 1 HG2 GLU 1 -3.752 -10.477 -4.384 8 HG3 GLU 1 HG1 GLU 1 -3.254 -10.830 -6.085 9 H MET 2 HN MET 2 -1.859 -7.201 -5.336 10 HA MET 2 HA MET 2 -3.352 -6.994 -2.850 11 HB2 MET 2 HB2 MET 2 -0.989 -5.344 -3.623 12 HB3 MET 2 HB1 MET 2 -2.429 -4.403 -3.109 13 HG2 MET 2 HG2 MET 2 -0.570 -6.155 -1.519 14 HG3 MET 2 HG1 MET 2 -1.378 -4.613 -1.100 15 HE1 MET 2 HE1 MET 2 -3.804 -4.608 -1.643 16 HE2 MET 2 HE2 MET 2 -4.609 -4.986 -0.083 17 HE3 MET 2 HE3 MET 2 -4.947 -5.987 -1.541 18 H ARG 3 HN ARG 3 -4.382 -4.564 -3.014 19 HA ARG 3 HA ARG 3 -5.709 -4.625 -5.536 20 HB2 ARG 3 HB2 ARG 3 -6.866 -5.478 -3.331 21 HB3 ARG 3 HB1 ARG 3 -6.825 -3.720 -2.912 22 HG2 ARG 3 HG2 ARG 3 -7.974 -4.496 -5.605 23 HG3 ARG 3 HG1 ARG 3 -8.955 -4.860 -4.138 24 HD2 ARG 3 HD2 ARG 3 -7.741 -2.167 -3.965 25 HD3 ARG 3 HD1 ARG 3 -8.767 -2.340 -5.464 26 HE ARG 3 HE ARG 3 -10.209 -3.468 -3.241 27 HH11 ARG 3 HH11 ARG 3 -8.963 -0.367 -4.468 28 HH12 ARG 3 HH12 ARG 3 -10.199 0.599 -3.735 29 HH21 ARG 3 HH21 ARG 3 -11.893 -2.158 -2.241 30 HH22 ARG 3 HH22 ARG 3 -11.894 -0.438 -2.445 31 H LEU 4 HN LEU 4 -4.259 -3.094 -2.927 32 HA LEU 4 HA LEU 4 -5.168 -0.518 -3.446 33 HB2 LEU 4 HB2 LEU 4 -2.521 -0.673 -2.361 34 HB3 LEU 4 HB1 LEU 4 -3.979 -0.022 -1.601 35 HG LEU 4 HG LEU 4 -3.352 -2.917 -1.785 36 HD11 LEU 4 HD11 LEU 4 -1.783 -2.692 -0.264 37 HD12 LEU 4 HD12 LEU 4 -2.960 -1.924 0.886 38 HD13 LEU 4 HD13 LEU 4 -2.023 -0.904 -0.292 39 HD21 LEU 4 HD21 LEU 4 -5.630 -2.865 -1.365 40 HD22 LEU 4 HD22 LEU 4 -5.542 -1.282 -0.487 41 HD23 LEU 4 HD23 LEU 4 -4.997 -2.798 0.331 42 H SER 5 HN SER 5 -2.480 -2.450 -3.861 43 HA SER 5 HA SER 5 -0.487 -1.211 -4.631 44 HB2 SER 5 HB2 SER 5 0.335 -3.184 -5.079 45 HB3 SER 5 HB1 SER 5 -1.336 -3.718 -4.594 46 HG SER 5 HG SER 5 -0.459 -3.165 -7.267 47 H LYS 6 HN LYS 6 -3.144 -0.708 -6.599 48 HA LYS 6 HA LYS 6 -1.460 0.222 -8.762 49 HB2 LYS 6 HB2 LYS 6 -4.389 0.881 -8.014 50 HB3 LYS 6 HB1 LYS 6 -3.545 1.409 -9.513 51 HG2 LYS 6 HG2 LYS 6 -3.428 -0.866 -10.361 52 HG3 LYS 6 HG1 LYS 6 -3.970 -1.550 -8.790 53 HD2 LYS 6 HD2 LYS 6 -5.852 -1.606 -10.318 54 HD3 LYS 6 HD1 LYS 6 -6.176 -0.345 -9.079 55 HE2 LYS 6 HE2 LYS 6 -5.521 1.448 -10.688 56 HE3 LYS 6 HE1 LYS 6 -5.100 0.198 -11.932 57 HZ1 LYS 6 HZ1 LYS 6 -7.496 1.385 -11.619 58 HZ2 LYS 6 HZ2 LYS 6 -7.739 -0.091 -10.813 59 HZ3 LYS 6 HZ3 LYS 6 -7.216 -0.080 -12.428 60 H PHE 7 HN PHE 7 -1.796 0.410 -5.509 61 HA PHE 7 HA PHE 7 -2.199 3.161 -5.000 62 HB2 PHE 7 HB2 PHE 7 -3.201 1.214 -3.959 63 HB3 PHE 7 HB1 PHE 7 -1.691 0.780 -3.203 64 HD1 PHE 7 HD1 PHE 7 -4.642 1.481 -2.468 65 HD2 PHE 7 HD2 PHE 7 -0.869 3.324 -2.357 66 HE1 PHE 7 HE1 PHE 7 -5.087 2.382 -0.297 67 HE2 PHE 7 HE2 PHE 7 -1.146 4.254 -0.369 68 HZ PHE 7 HZ PHE 7 -3.403 3.883 0.864 69 H PHE 8 HN PHE 8 -0.229 0.572 -3.655 70 HA PHE 8 HA PHE 8 1.151 2.649 -2.323 71 HB2 PHE 8 HB2 PHE 8 2.565 0.530 -1.551 72 HB3 PHE 8 HB1 PHE 8 1.012 0.883 -0.750 73 HD1 PHE 8 HD1 PHE 8 3.027 -1.182 -2.222 74 HD2 PHE 8 HD2 PHE 8 -0.947 -0.121 -1.702 75 HE1 PHE 8 HE1 PHE 8 2.442 -3.298 -2.878 76 HE2 PHE 8 HE2 PHE 8 -1.578 -2.298 -2.399 77 HZ PHE 8 HZ PHE 8 0.118 -3.903 -2.943 78 H ARG 9 HN ARG 9 1.105 0.108 -4.351 79 HA ARG 9 HA ARG 9 3.782 0.079 -4.783 80 HB2 ARG 9 HB2 ARG 9 1.302 -1.070 -5.795 81 HB3 ARG 9 HB1 ARG 9 2.605 -0.932 -7.053 82 HG2 ARG 9 HG2 ARG 9 3.165 -2.214 -4.344 83 HG3 ARG 9 HG1 ARG 9 2.319 -3.162 -5.613 84 HD2 ARG 9 HD2 ARG 9 4.984 -1.708 -6.142 85 HD3 ARG 9 HD1 ARG 9 4.910 -3.409 -5.500 86 HE ARG 9 HE ARG 9 3.194 -3.297 -7.776 87 HH11 ARG 9 HH11 ARG 9 6.627 -2.861 -6.931 88 HH12 ARG 9 HH12 ARG 9 7.233 -3.393 -8.464 89 HH21 ARG 9 HH21 ARG 9 4.016 -4.021 -9.862 90 HH22 ARG 9 HH22 ARG 9 5.721 -4.064 -10.159 91 H ASP 10 HN ASP 10 1.416 2.126 -5.015 92 HA ASP 10 HA ASP 10 2.623 3.209 -7.259 93 HB2 ASP 10 HB2 ASP 10 0.428 2.177 -7.374 94 HB3 ASP 10 HB1 ASP 10 -0.119 3.714 -6.607 95 H DPN 11 HN DPN 11 2.237 3.665 -3.962 96 HA DPN 11 HA DPN 11 1.917 6.518 -4.427 97 HB2 DPN 11 HB1 DPN 11 4.420 6.283 -3.180 98 HB3 DPN 11 HB2 DPN 11 4.082 6.997 -4.798 99 HD1 DPN 11 HD1 DPN 11 4.449 5.561 -6.789 100 HD2 DPN 11 HD2 DPN 11 4.858 4.464 -2.811 101 HE1 DPN 11 HE1 DPN 11 4.869 3.213 -7.395 102 HE2 DPN 11 HE2 DPN 11 5.259 2.284 -3.370 103 HZ DPN 11 HZ DPN 11 5.174 1.723 -5.520 104 H ILE 12 HN ILE 12 3.816 4.858 -2.008 105 HA ILE 12 HA ILE 12 3.225 6.709 -0.054 106 HB ILE 12 HB ILE 12 2.366 4.597 1.389 107 HG12 ILE 12 HG12 ILE 12 0.577 3.517 0.077 108 HG13 ILE 12 HG11 ILE 12 1.126 4.434 -1.387 109 HG21 ILE 12 HG21 ILE 12 1.305 7.145 0.402 110 HG22 ILE 12 HG22 ILE 12 0.872 6.263 1.916 111 HG23 ILE 12 HG23 ILE 12 -0.008 5.914 0.381 112 HD11 ILE 12 HD11 ILE 12 3.345 3.330 -0.051 113 HD12 ILE 12 HD12 ILE 12 2.790 3.099 -1.725 114 HD13 ILE 12 HD13 ILE 12 2.178 2.077 -0.350 115 H LEU 13 HN LEU 13 4.817 4.254 -1.643 116 HA LEU 13 HA LEU 13 6.543 3.502 0.599 117 HB2 LEU 13 HB2 LEU 13 6.595 2.439 -2.239 118 HB3 LEU 13 HB1 LEU 13 7.119 1.598 -0.734 119 HG LEU 13 HG LEU 13 4.359 2.407 -1.550 120 HD11 LEU 13 HD11 LEU 13 4.490 -0.407 -1.349 121 HD12 LEU 13 HD12 LEU 13 6.010 0.097 -2.190 122 HD13 LEU 13 HD13 LEU 13 4.412 0.610 -2.851 123 HD21 LEU 13 HD21 LEU 13 3.636 1.158 0.505 124 HD22 LEU 13 HD22 LEU 13 4.702 2.590 0.876 125 HD23 LEU 13 HD23 LEU 13 5.374 0.899 0.934 126 H GLN 14 HN GLN 14 6.565 4.405 -2.883 127 HA GLN 14 HA GLN 14 9.400 4.658 -2.929 128 HB2 GLN 14 HB2 GLN 14 7.450 6.286 -4.635 129 HB3 GLN 14 HB1 GLN 14 9.175 5.938 -5.019 130 HG2 GLN 14 HG2 GLN 14 6.807 4.083 -4.971 131 HG3 GLN 14 HG1 GLN 14 7.865 4.465 -6.373 132 HE21 GLN 14 HE21 GLN 14 7.178 2.468 -3.762 133 HE22 GLN 14 HE22 GLN 14 8.614 1.482 -3.736 134 H ARG 15 HN ARG 15 6.756 6.367 -1.725 135 HA ARG 15 HA ARG 15 8.408 8.760 -1.545 136 HB2 ARG 15 HB2 ARG 15 5.663 8.759 -0.296 137 HB3 ARG 15 HB1 ARG 15 6.484 10.052 -1.239 138 HG2 ARG 15 HG2 ARG 15 5.649 9.312 -3.248 139 HG3 ARG 15 HG1 ARG 15 5.734 7.576 -2.769 140 HD2 ARG 15 HD2 ARG 15 3.351 8.387 -2.985 141 HD3 ARG 15 HD1 ARG 15 3.766 7.827 -1.307 142 HE ARG 15 HE ARG 15 3.544 10.071 -0.541 143 HH11 ARG 15 HH11 ARG 15 3.592 9.916 -4.110 144 HH12 ARG 15 HH12 ARG 15 3.177 11.581 -4.339 145 HH21 ARG 15 HH21 ARG 15 2.990 12.338 -0.866 146 HH22 ARG 15 HH22 ARG 15 2.831 12.979 -2.466 147 H LYS 16 HN LYS 16 6.887 6.065 0.078 148 HA LYS 16 HA LYS 16 6.894 5.264 2.109 149 HB2 LYS 16 HB2 LYS 16 9.297 7.111 2.272 150 HB3 LYS 16 HB1 LYS 16 8.689 6.358 3.777 151 HG2 LYS 16 HG2 LYS 16 10.007 4.581 3.296 152 HG3 LYS 16 HG1 LYS 16 8.849 4.195 1.974 153 HD2 LYS 16 HD2 LYS 16 10.904 4.258 0.833 154 HD3 LYS 16 HD1 LYS 16 10.248 5.907 0.543 155 HE2 LYS 16 HE2 LYS 16 11.695 6.835 2.353 156 HE3 LYS 16 HE1 LYS 16 12.307 5.173 2.741 157 HZ1 LYS 16 HZ1 LYS 16 13.531 6.817 1.111 158 HZ2 LYS 16 HZ2 LYS 16 12.512 6.079 -0.029 159 HZ3 LYS 16 HZ3 LYS 16 13.567 5.131 0.907 160 H LYS 17 HN LYS 17 5.501 7.664 1.190 161 HA LYS 17 HA LYS 17 4.231 9.293 1.849 162 HB2 LYS 17 HB2 LYS 17 4.049 7.339 4.056 163 HB3 LYS 17 HB1 LYS 17 3.783 9.020 4.644 164 HG2 LYS 17 HG2 LYS 17 2.298 7.590 2.379 165 HG3 LYS 17 HG1 LYS 17 1.636 8.049 3.987 166 HD2 LYS 17 HD2 LYS 17 1.053 10.093 3.186 167 HD3 LYS 17 HD1 LYS 17 2.760 10.429 2.733 168 HE2 LYS 17 HE2 LYS 17 2.419 9.255 0.541 169 HE3 LYS 17 HE1 LYS 17 0.682 8.954 0.988 170 HZ1 LYS 17 HZ1 LYS 17 1.731 11.692 1.131 171 HZ2 LYS 17 HZ2 LYS 17 0.171 11.127 0.772 172 HZ3 LYS 17 HZ3 LYS 17 1.402 11.016 -0.393 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 0.291 -10.967 -4.440 2 H2 GLU 1 HT2 GLU 1 -0.078 -10.113 -3.020 3 H3 GLU 1 HT3 GLU 1 0.529 -9.287 -4.375 4 HA GLU 1 HA GLU 1 -1.403 -9.537 -5.576 5 HB2 GLU 1 HB2 GLU 1 -1.699 -11.982 -4.946 6 HB3 GLU 1 HB1 GLU 1 -2.375 -11.445 -3.368 7 HG2 GLU 1 HG2 GLU 1 -4.273 -10.303 -4.538 8 HG3 GLU 1 HG1 GLU 1 -3.588 -10.785 -6.142 9 H MET 2 HN MET 2 -1.710 -7.324 -5.113 10 HA MET 2 HA MET 2 -3.319 -6.857 -2.706 11 HB2 MET 2 HB2 MET 2 -0.906 -5.374 -3.719 12 HB3 MET 2 HB1 MET 2 -2.275 -4.374 -3.125 13 HG2 MET 2 HG2 MET 2 -0.334 -6.105 -1.625 14 HG3 MET 2 HG1 MET 2 -1.101 -4.548 -1.190 15 HE1 MET 2 HE1 MET 2 -4.755 -5.907 -1.159 16 HE2 MET 2 HE2 MET 2 -3.609 -4.620 -1.653 17 HE3 MET 2 HE3 MET 2 -4.132 -4.745 0.062 18 H ARG 3 HN ARG 3 -4.285 -4.525 -2.960 19 HA ARG 3 HA ARG 3 -5.586 -4.579 -5.521 20 HB2 ARG 3 HB2 ARG 3 -6.532 -4.323 -2.707 21 HB3 ARG 3 HB1 ARG 3 -7.514 -3.592 -4.031 22 HG2 ARG 3 HG2 ARG 3 -8.567 -5.682 -3.814 23 HG3 ARG 3 HG1 ARG 3 -7.338 -6.068 -5.074 24 HD2 ARG 3 HD2 ARG 3 -6.644 -7.760 -3.666 25 HD3 ARG 3 HD1 ARG 3 -5.930 -6.436 -2.633 26 HE ARG 3 HE ARG 3 -8.735 -6.717 -2.007 27 HH11 ARG 3 HH11 ARG 3 -5.609 -8.405 -1.752 28 HH12 ARG 3 HH12 ARG 3 -6.007 -9.247 -0.292 29 HH21 ARG 3 HH21 ARG 3 -9.279 -7.863 -0.020 30 HH22 ARG 3 HH22 ARG 3 -8.130 -8.934 0.708 31 H LEU 4 HN LEU 4 -4.087 -3.094 -2.948 32 HA LEU 4 HA LEU 4 -5.065 -0.510 -3.403 33 HB2 LEU 4 HB2 LEU 4 -2.398 -0.649 -2.360 34 HB3 LEU 4 HB1 LEU 4 -3.851 -0.018 -1.571 35 HG LEU 4 HG LEU 4 -3.199 -2.904 -1.796 36 HD11 LEU 4 HD11 LEU 4 -1.872 -0.900 -0.300 37 HD12 LEU 4 HD12 LEU 4 -1.622 -2.688 -0.290 38 HD13 LEU 4 HD13 LEU 4 -2.789 -1.931 0.881 39 HD21 LEU 4 HD21 LEU 4 -5.441 -2.967 -1.312 40 HD22 LEU 4 HD22 LEU 4 -5.433 -1.318 -0.556 41 HD23 LEU 4 HD23 LEU 4 -4.827 -2.741 0.379 42 H SER 5 HN SER 5 -2.374 -2.410 -3.877 43 HA SER 5 HA SER 5 -0.396 -1.167 -4.675 44 HB2 SER 5 HB2 SER 5 0.410 -3.139 -5.148 45 HB3 SER 5 HB1 SER 5 -1.257 -3.675 -4.643 46 HG SER 5 HG SER 5 -0.432 -3.084 -7.328 47 H LYS 6 HN LYS 6 -3.086 -0.639 -6.579 48 HA LYS 6 HA LYS 6 -1.435 0.310 -8.764 49 HB2 LYS 6 HB2 LYS 6 -4.344 1.044 -8.019 50 HB3 LYS 6 HB1 LYS 6 -3.500 1.447 -9.556 51 HG2 LYS 6 HG2 LYS 6 -4.211 -1.400 -8.610 52 HG3 LYS 6 HG1 LYS 6 -5.147 -0.436 -9.803 53 HD2 LYS 6 HD2 LYS 6 -3.114 -0.344 -11.290 54 HD3 LYS 6 HD1 LYS 6 -2.219 -1.357 -10.105 55 HE2 LYS 6 HE2 LYS 6 -3.882 -3.218 -10.438 56 HE3 LYS 6 HE1 LYS 6 -4.772 -2.195 -11.641 57 HZ1 LYS 6 HZ1 LYS 6 -3.139 -3.824 -12.543 58 HZ2 LYS 6 HZ2 LYS 6 -1.893 -2.874 -11.889 59 HZ3 LYS 6 HZ3 LYS 6 -2.932 -2.221 -13.063 60 H PHE 7 HN PHE 7 -1.729 0.462 -5.513 61 HA PHE 7 HA PHE 7 -2.135 3.206 -4.969 62 HB2 PHE 7 HB2 PHE 7 -3.113 1.242 -3.934 63 HB3 PHE 7 HB1 PHE 7 -1.589 0.809 -3.203 64 HD1 PHE 7 HD1 PHE 7 -4.534 1.493 -2.426 65 HD2 PHE 7 HD2 PHE 7 -0.768 3.347 -2.345 66 HE1 PHE 7 HE1 PHE 7 -4.958 2.376 -0.244 67 HE2 PHE 7 HE2 PHE 7 -1.025 4.266 -0.349 68 HZ PHE 7 HZ PHE 7 -3.266 3.877 0.909 69 H PHE 8 HN PHE 8 -0.134 0.611 -3.682 70 HA PHE 8 HA PHE 8 1.252 2.677 -2.343 71 HB2 PHE 8 HB2 PHE 8 2.695 0.556 -1.627 72 HB3 PHE 8 HB1 PHE 8 1.154 0.886 -0.795 73 HD1 PHE 8 HD1 PHE 8 3.155 -1.148 -2.333 74 HD2 PHE 8 HD2 PHE 8 -0.813 -0.109 -1.723 75 HE1 PHE 8 HE1 PHE 8 2.563 -3.260 -3.004 76 HE2 PHE 8 HE2 PHE 8 -1.451 -2.276 -2.433 77 HZ PHE 8 HZ PHE 8 0.238 -3.870 -3.031 78 H ARG 9 HN ARG 9 1.196 0.162 -4.402 79 HA ARG 9 HA ARG 9 3.863 0.151 -4.883 80 HB2 ARG 9 HB2 ARG 9 1.367 -0.994 -5.867 81 HB3 ARG 9 HB1 ARG 9 2.650 -0.836 -7.143 82 HG2 ARG 9 HG2 ARG 9 3.267 -2.145 -4.460 83 HG3 ARG 9 HG1 ARG 9 2.392 -3.083 -5.717 84 HD2 ARG 9 HD2 ARG 9 5.043 -1.623 -6.299 85 HD3 ARG 9 HD1 ARG 9 4.986 -3.328 -5.664 86 HE ARG 9 HE ARG 9 3.217 -3.200 -7.900 87 HH11 ARG 9 HH11 ARG 9 6.668 -2.789 -7.125 88 HH12 ARG 9 HH12 ARG 9 7.238 -3.320 -8.673 89 HH21 ARG 9 HH21 ARG 9 3.990 -3.921 -10.005 90 HH22 ARG 9 HH22 ARG 9 5.688 -3.974 -10.338 91 H ASP 10 HN ASP 10 1.481 2.189 -5.053 92 HA ASP 10 HA ASP 10 2.646 3.305 -7.305 93 HB2 ASP 10 HB2 ASP 10 0.454 2.265 -7.392 94 HB3 ASP 10 HB1 ASP 10 -0.086 3.789 -6.597 95 H DPN 11 HN DPN 11 2.309 3.717 -3.995 96 HA DPN 11 HA DPN 11 1.976 6.577 -4.420 97 HB2 DPN 11 HB1 DPN 11 4.499 6.325 -3.212 98 HB3 DPN 11 HB2 DPN 11 4.134 7.066 -4.815 99 HD1 DPN 11 HD1 DPN 11 4.475 5.662 -6.835 100 HD2 DPN 11 HD2 DPN 11 4.940 4.508 -2.883 101 HE1 DPN 11 HE1 DPN 11 4.897 3.324 -7.480 102 HE2 DPN 11 HE2 DPN 11 5.344 2.344 -3.476 103 HZ DPN 11 HZ DPN 11 5.235 1.814 -5.625 104 H ILE 12 HN ILE 12 3.902 4.872 -2.036 105 HA ILE 12 HA ILE 12 3.381 6.724 -0.069 106 HB ILE 12 HB ILE 12 2.528 4.605 1.372 107 HG12 ILE 12 HG12 ILE 12 0.698 3.559 0.083 108 HG13 ILE 12 HG11 ILE 12 1.228 4.484 -1.381 109 HG21 ILE 12 HG21 ILE 12 1.291 6.482 1.938 110 HG22 ILE 12 HG22 ILE 12 0.117 5.870 0.713 111 HG23 ILE 12 HG23 ILE 12 1.328 7.124 0.252 112 HD11 ILE 12 HD11 ILE 12 3.459 3.330 -0.092 113 HD12 ILE 12 HD12 ILE 12 2.886 3.141 -1.763 114 HD13 ILE 12 HD13 ILE 12 2.271 2.105 -0.400 115 H LEU 13 HN LEU 13 4.951 4.338 -1.726 116 HA LEU 13 HA LEU 13 6.685 3.529 0.491 117 HB2 LEU 13 HB2 LEU 13 6.702 2.516 -2.366 118 HB3 LEU 13 HB1 LEU 13 7.255 1.651 -0.887 119 HG LEU 13 HG LEU 13 4.468 2.450 -1.644 120 HD11 LEU 13 HD11 LEU 13 4.509 0.667 -2.968 121 HD12 LEU 13 HD12 LEU 13 4.645 -0.372 -1.483 122 HD13 LEU 13 HD13 LEU 13 6.130 0.171 -2.358 123 HD21 LEU 13 HD21 LEU 13 4.848 2.586 0.776 124 HD22 LEU 13 HD22 LEU 13 5.527 0.897 0.792 125 HD23 LEU 13 HD23 LEU 13 3.784 1.163 0.391 126 H GLN 14 HN GLN 14 6.641 4.494 -2.966 127 HA GLN 14 HA GLN 14 9.466 4.841 -3.042 128 HB2 GLN 14 HB2 GLN 14 7.435 6.421 -4.695 129 HB3 GLN 14 HB1 GLN 14 9.163 6.135 -5.112 130 HG2 GLN 14 HG2 GLN 14 6.857 4.205 -5.052 131 HG3 GLN 14 HG1 GLN 14 7.884 4.635 -6.463 132 HE21 GLN 14 HE21 GLN 14 7.287 2.588 -3.874 133 HE22 GLN 14 HE22 GLN 14 8.752 1.644 -3.875 134 H ARG 15 HN ARG 15 6.784 6.450 -1.759 135 HA ARG 15 HA ARG 15 8.398 8.874 -1.551 136 HB2 ARG 15 HB2 ARG 15 5.630 8.851 -0.397 137 HB3 ARG 15 HB1 ARG 15 6.462 10.150 -1.313 138 HG2 ARG 15 HG2 ARG 15 5.667 9.423 -3.338 139 HG3 ARG 15 HG1 ARG 15 5.793 7.682 -2.886 140 HD2 ARG 15 HD2 ARG 15 3.402 8.321 -3.115 141 HD3 ARG 15 HD1 ARG 15 3.794 7.928 -1.382 142 HE ARG 15 HE ARG 15 3.512 10.244 -0.838 143 HH11 ARG 15 HH11 ARG 15 3.444 9.701 -4.368 144 HH12 ARG 15 HH12 ARG 15 2.865 11.286 -4.753 145 HH21 ARG 15 HH21 ARG 15 2.725 12.393 -1.372 146 HH22 ARG 15 HH22 ARG 15 2.450 12.842 -3.021 147 H LYS 16 HN LYS 16 6.867 6.167 -0.019 148 HA LYS 16 HA LYS 16 7.043 5.218 1.896 149 HB2 LYS 16 HB2 LYS 16 8.842 7.529 2.709 150 HB3 LYS 16 HB1 LYS 16 8.494 6.127 3.761 151 HG2 LYS 16 HG2 LYS 16 9.865 5.980 1.009 152 HG3 LYS 16 HG1 LYS 16 10.718 5.970 2.590 153 HD2 LYS 16 HD2 LYS 16 9.396 3.892 3.228 154 HD3 LYS 16 HD1 LYS 16 8.687 3.886 1.576 155 HE2 LYS 16 HE2 LYS 16 10.585 2.296 1.664 156 HE3 LYS 16 HE1 LYS 16 11.052 3.703 0.620 157 HZ1 LYS 16 HZ1 LYS 16 12.691 4.158 1.975 158 HZ2 LYS 16 HZ2 LYS 16 12.372 2.721 2.823 159 HZ3 LYS 16 HZ3 LYS 16 11.688 4.185 3.344 160 H LYS 17 HN LYS 17 5.358 7.763 1.153 161 HA LYS 17 HA LYS 17 3.707 7.503 3.364 162 HB2 LYS 17 HB2 LYS 17 3.831 10.060 4.024 163 HB3 LYS 17 HB1 LYS 17 4.982 8.907 4.775 164 HG2 LYS 17 HG2 LYS 17 6.506 10.506 4.161 165 HG3 LYS 17 HG1 LYS 17 6.482 9.590 2.622 166 HD2 LYS 17 HD2 LYS 17 4.430 11.308 2.099 167 HD3 LYS 17 HD1 LYS 17 5.332 12.316 3.284 168 HE2 LYS 17 HE2 LYS 17 6.532 11.057 0.725 169 HE3 LYS 17 HE1 LYS 17 6.058 12.796 0.933 170 HZ1 LYS 17 HZ1 LYS 17 7.640 12.394 3.047 171 HZ2 LYS 17 HZ2 LYS 17 8.166 12.985 1.545 172 HZ3 LYS 17 HZ3 LYS 17 8.355 11.340 1.926 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 0.373 -9.526 -6.107 2 H2 GLU 1 HT2 GLU 1 -0.015 -8.022 -5.419 3 H3 GLU 1 HT3 GLU 1 -1.070 -8.741 -6.541 4 HA GLU 1 HA GLU 1 -1.831 -10.289 -5.095 5 HB2 GLU 1 HB2 GLU 1 -0.653 -10.955 -2.997 6 HB3 GLU 1 HB1 GLU 1 0.405 -11.160 -4.436 7 HG2 GLU 1 HG2 GLU 1 1.512 -8.936 -3.920 8 HG3 GLU 1 HG1 GLU 1 0.491 -8.798 -2.435 9 H MET 2 HN MET 2 -1.915 -7.202 -5.256 10 HA MET 2 HA MET 2 -3.361 -6.917 -2.752 11 HB2 MET 2 HB2 MET 2 -0.987 -5.309 -3.583 12 HB3 MET 2 HB1 MET 2 -2.408 -4.344 -3.060 13 HG2 MET 2 HG2 MET 2 -0.544 -6.093 -1.474 14 HG3 MET 2 HG1 MET 2 -1.332 -4.538 -1.063 15 HE1 MET 2 HE1 MET 2 -4.552 -4.869 -0.001 16 HE2 MET 2 HE2 MET 2 -4.920 -5.893 -1.435 17 HE3 MET 2 HE3 MET 2 -3.769 -4.526 -1.580 18 H ARG 3 HN ARG 3 -4.367 -4.486 -2.940 19 HA ARG 3 HA ARG 3 -5.712 -4.559 -5.453 20 HB2 ARG 3 HB2 ARG 3 -6.864 -5.381 -3.235 21 HB3 ARG 3 HB1 ARG 3 -6.801 -3.622 -2.829 22 HG2 ARG 3 HG2 ARG 3 -7.976 -4.405 -5.509 23 HG3 ARG 3 HG1 ARG 3 -8.951 -4.748 -4.034 24 HD2 ARG 3 HD2 ARG 3 -7.708 -2.066 -3.889 25 HD3 ARG 3 HD1 ARG 3 -8.751 -2.240 -5.377 26 HE ARG 3 HE ARG 3 -10.183 -3.337 -3.135 27 HH11 ARG 3 HH11 ARG 3 -8.910 -0.257 -4.387 28 HH12 ARG 3 HH12 ARG 3 -10.128 0.727 -3.645 29 HH21 ARG 3 HH21 ARG 3 -11.841 -2.001 -2.124 30 HH22 ARG 3 HH22 ARG 3 -11.823 -0.283 -2.336 31 H LEU 4 HN LEU 4 -4.227 -3.016 -2.870 32 HA LEU 4 HA LEU 4 -5.119 -0.439 -3.400 33 HB2 LEU 4 HB2 LEU 4 -2.461 -0.609 -2.342 34 HB3 LEU 4 HB1 LEU 4 -3.904 0.063 -1.573 35 HG LEU 4 HG LEU 4 -3.309 -2.840 -1.739 36 HD11 LEU 4 HD11 LEU 4 -1.719 -2.615 -0.243 37 HD12 LEU 4 HD12 LEU 4 -2.881 -1.842 0.921 38 HD13 LEU 4 HD13 LEU 4 -1.953 -0.826 -0.267 39 HD21 LEU 4 HD21 LEU 4 -5.472 -1.174 -0.439 40 HD22 LEU 4 HD22 LEU 4 -4.931 -2.684 0.395 41 HD23 LEU 4 HD23 LEU 4 -5.582 -2.764 -1.297 42 H SER 5 HN SER 5 -2.452 -2.394 -3.827 43 HA SER 5 HA SER 5 -0.456 -1.181 -4.627 44 HB2 SER 5 HB2 SER 5 0.345 -3.161 -5.073 45 HB3 SER 5 HB1 SER 5 -1.324 -3.678 -4.558 46 HG SER 5 HG SER 5 -0.482 -3.155 -7.250 47 H LYS 6 HN LYS 6 -3.119 -0.653 -6.560 48 HA LYS 6 HA LYS 6 -1.439 0.240 -8.746 49 HB2 LYS 6 HB2 LYS 6 -4.345 1.021 -8.034 50 HB3 LYS 6 HB1 LYS 6 -3.487 1.386 -9.571 51 HG2 LYS 6 HG2 LYS 6 -4.249 -1.432 -8.576 52 HG3 LYS 6 HG1 LYS 6 -5.156 -0.479 -9.799 53 HD2 LYS 6 HD2 LYS 6 -2.206 -1.330 -10.095 54 HD3 LYS 6 HD1 LYS 6 -3.599 -2.249 -10.759 55 HE2 LYS 6 HE2 LYS 6 -4.252 -0.208 -12.127 56 HE3 LYS 6 HE1 LYS 6 -2.768 0.635 -11.514 57 HZ1 LYS 6 HZ1 LYS 6 -3.054 -1.372 -13.534 58 HZ2 LYS 6 HZ2 LYS 6 -1.861 -1.772 -12.393 59 HZ3 LYS 6 HZ3 LYS 6 -1.780 -0.293 -13.224 60 H PHE 7 HN PHE 7 -1.761 0.449 -5.498 61 HA PHE 7 HA PHE 7 -2.139 3.207 -5.002 62 HB2 PHE 7 HB2 PHE 7 -3.147 1.272 -3.941 63 HB3 PHE 7 HB1 PHE 7 -1.635 0.835 -3.191 64 HD1 PHE 7 HD1 PHE 7 -4.577 1.562 -2.445 65 HD2 PHE 7 HD2 PHE 7 -0.791 3.378 -2.371 66 HE1 PHE 7 HE1 PHE 7 -5.005 2.487 -0.282 67 HE2 PHE 7 HE2 PHE 7 -1.052 4.333 -0.391 68 HZ PHE 7 HZ PHE 7 -3.305 3.988 0.857 69 H PHE 8 HN PHE 8 -0.178 0.612 -3.658 70 HA PHE 8 HA PHE 8 1.222 2.683 -2.340 71 HB2 PHE 8 HB2 PHE 8 2.637 0.556 -1.586 72 HB3 PHE 8 HB1 PHE 8 1.096 0.915 -0.768 73 HD1 PHE 8 HD1 PHE 8 3.082 -1.162 -2.263 74 HD2 PHE 8 HD2 PHE 8 -0.878 -0.072 -1.693 75 HE1 PHE 8 HE1 PHE 8 2.473 -3.277 -2.906 76 HE2 PHE 8 HE2 PHE 8 -1.533 -2.244 -2.375 77 HZ PHE 8 HZ PHE 8 0.143 -3.864 -2.937 78 H ARG 9 HN ARG 9 1.144 0.149 -4.373 79 HA ARG 9 HA ARG 9 3.817 0.095 -4.828 80 HB2 ARG 9 HB2 ARG 9 1.319 -1.037 -5.812 81 HB3 ARG 9 HB1 ARG 9 2.607 -0.908 -7.084 82 HG2 ARG 9 HG2 ARG 9 3.191 -2.193 -4.381 83 HG3 ARG 9 HG1 ARG 9 2.326 -3.136 -5.642 84 HD2 ARG 9 HD2 ARG 9 4.995 -1.699 -6.196 85 HD3 ARG 9 HD1 ARG 9 4.915 -3.402 -5.560 86 HE ARG 9 HE ARG 9 3.177 -3.271 -7.816 87 HH11 ARG 9 HH11 ARG 9 6.620 -2.852 -7.010 88 HH12 ARG 9 HH12 ARG 9 7.205 -3.379 -8.552 89 HH21 ARG 9 HH21 ARG 9 3.971 -3.989 -9.914 90 HH22 ARG 9 HH22 ARG 9 5.672 -4.036 -10.232 91 H ASP 10 HN ASP 10 1.460 2.159 -5.042 92 HA ASP 10 HA ASP 10 2.662 3.228 -7.296 93 HB2 ASP 10 HB2 ASP 10 0.492 2.232 -7.480 94 HB3 ASP 10 HB1 ASP 10 -0.078 3.696 -6.598 95 H DPN 11 HN DPN 11 2.302 3.692 -3.999 96 HA DPN 11 HA DPN 11 2.003 6.546 -4.469 97 HB2 DPN 11 HB1 DPN 11 4.514 6.290 -3.245 98 HB3 DPN 11 HB2 DPN 11 4.165 7.005 -4.863 99 HD1 DPN 11 HD1 DPN 11 4.511 5.566 -6.855 100 HD2 DPN 11 HD2 DPN 11 4.931 4.471 -2.880 101 HE1 DPN 11 HE1 DPN 11 4.915 3.214 -7.459 102 HE2 DPN 11 HE2 DPN 11 5.316 2.292 -3.435 103 HZ DPN 11 HZ DPN 11 5.219 1.729 -5.577 104 H ILE 12 HN ILE 12 3.894 4.855 -2.046 105 HA ILE 12 HA ILE 12 3.384 6.741 -0.111 106 HB ILE 12 HB ILE 12 2.489 4.659 1.355 107 HG12 ILE 12 HG12 ILE 12 0.658 3.615 0.068 108 HG13 ILE 12 HG11 ILE 12 1.208 4.512 -1.407 109 HG21 ILE 12 HG21 ILE 12 1.257 6.548 1.885 110 HG22 ILE 12 HG22 ILE 12 0.102 5.954 0.634 111 HG23 ILE 12 HG23 ILE 12 1.347 7.183 0.198 112 HD11 ILE 12 HD11 ILE 12 2.225 2.136 -0.402 113 HD12 ILE 12 HD12 ILE 12 3.415 3.343 -0.070 114 HD13 ILE 12 HD13 ILE 12 2.859 3.147 -1.758 115 H LEU 13 HN LEU 13 4.935 4.310 -1.720 116 HA LEU 13 HA LEU 13 6.635 3.508 0.526 117 HB2 LEU 13 HB2 LEU 13 6.666 2.460 -2.318 118 HB3 LEU 13 HB1 LEU 13 7.197 1.606 -0.824 119 HG LEU 13 HG LEU 13 4.428 2.430 -1.616 120 HD11 LEU 13 HD11 LEU 13 6.069 0.123 -2.283 121 HD12 LEU 13 HD12 LEU 13 4.460 0.628 -2.915 122 HD13 LEU 13 HD13 LEU 13 4.571 -0.393 -1.415 123 HD21 LEU 13 HD21 LEU 13 5.443 0.898 0.852 124 HD22 LEU 13 HD22 LEU 13 3.709 1.177 0.428 125 HD23 LEU 13 HD23 LEU 13 4.792 2.594 0.806 126 H GLN 14 HN GLN 14 6.637 4.431 -2.940 127 HA GLN 14 HA GLN 14 9.468 4.738 -2.998 128 HB2 GLN 14 HB2 GLN 14 7.470 6.322 -4.689 129 HB3 GLN 14 HB1 GLN 14 9.199 6.009 -5.087 130 HG2 GLN 14 HG2 GLN 14 6.866 4.109 -5.025 131 HG3 GLN 14 HG1 GLN 14 7.914 4.507 -6.431 132 HE21 GLN 14 HE21 GLN 14 7.261 2.501 -3.823 133 HE22 GLN 14 HE22 GLN 14 8.713 1.539 -3.795 134 H ARG 15 HN ARG 15 6.791 6.401 -1.769 135 HA ARG 15 HA ARG 15 8.433 8.809 -1.579 136 HB2 ARG 15 HB2 ARG 15 5.656 8.828 -0.444 137 HB3 ARG 15 HB1 ARG 15 6.509 10.109 -1.369 138 HG2 ARG 15 HG2 ARG 15 5.728 9.364 -3.393 139 HG3 ARG 15 HG1 ARG 15 5.827 7.628 -2.918 140 HD2 ARG 15 HD2 ARG 15 3.446 8.297 -3.178 141 HD3 ARG 15 HD1 ARG 15 3.817 7.918 -1.439 142 HE ARG 15 HE ARG 15 3.549 10.240 -0.922 143 HH11 ARG 15 HH11 ARG 15 3.548 9.671 -4.448 144 HH12 ARG 15 HH12 ARG 15 3.006 11.264 -4.857 145 HH21 ARG 15 HH21 ARG 15 2.813 12.399 -1.487 146 HH22 ARG 15 HH22 ARG 15 2.582 12.839 -3.146 147 H LYS 16 HN LYS 16 6.861 6.141 -0.024 148 HA LYS 16 HA LYS 16 7.025 5.206 1.900 149 HB2 LYS 16 HB2 LYS 16 8.857 7.507 2.669 150 HB3 LYS 16 HB1 LYS 16 8.478 6.147 3.764 151 HG2 LYS 16 HG2 LYS 16 9.880 5.914 1.033 152 HG3 LYS 16 HG1 LYS 16 10.700 5.885 2.632 153 HD2 LYS 16 HD2 LYS 16 8.533 3.873 1.761 154 HD3 LYS 16 HD1 LYS 16 10.299 3.598 1.575 155 HE2 LYS 16 HE2 LYS 16 10.572 3.852 4.092 156 HE3 LYS 16 HE1 LYS 16 8.771 4.008 4.235 157 HZ1 LYS 16 HZ1 LYS 16 9.487 1.757 2.663 158 HZ2 LYS 16 HZ2 LYS 16 8.579 1.848 4.095 159 HZ3 LYS 16 HZ3 LYS 16 10.269 1.704 4.168 160 H LYS 17 HN LYS 17 5.367 7.759 1.127 161 HA LYS 17 HA LYS 17 3.712 7.534 3.343 162 HB2 LYS 17 HB2 LYS 17 3.847 10.097 3.966 163 HB3 LYS 17 HB1 LYS 17 5.002 8.956 4.728 164 HG2 LYS 17 HG2 LYS 17 6.521 10.547 4.081 165 HG3 LYS 17 HG1 LYS 17 6.490 9.604 2.557 166 HD2 LYS 17 HD2 LYS 17 4.438 11.308 2.007 167 HD3 LYS 17 HD1 LYS 17 5.331 12.337 3.180 168 HE2 LYS 17 HE2 LYS 17 6.568 11.039 0.659 169 HE3 LYS 17 HE1 LYS 17 6.046 12.770 0.805 170 HZ1 LYS 17 HZ1 LYS 17 8.136 13.043 1.438 171 HZ2 LYS 17 HZ2 LYS 17 8.374 11.413 1.855 172 HZ3 LYS 17 HZ3 LYS 17 7.617 12.469 2.949 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 -2.624 -9.209 -6.128 2 H2 GLU 1 HT2 GLU 1 -1.970 -10.751 -6.409 3 H3 GLU 1 HT3 GLU 1 -0.986 -9.374 -6.550 4 HA GLU 1 HA GLU 1 -1.739 -10.884 -4.243 5 HB2 GLU 1 HB2 GLU 1 0.624 -10.415 -5.154 6 HB3 GLU 1 HB1 GLU 1 0.399 -8.711 -4.621 7 HG2 GLU 1 HG2 GLU 1 0.144 -9.447 -2.249 8 HG3 GLU 1 HG1 GLU 1 0.282 -11.179 -2.755 9 H MET 2 HN MET 2 -1.748 -7.399 -5.211 10 HA MET 2 HA MET 2 -3.326 -6.917 -2.792 11 HB2 MET 2 HB2 MET 2 -0.909 -5.427 -3.791 12 HB3 MET 2 HB1 MET 2 -2.284 -4.434 -3.199 13 HG2 MET 2 HG2 MET 2 -0.341 -6.159 -1.697 14 HG3 MET 2 HG1 MET 2 -1.121 -4.609 -1.259 15 HE1 MET 2 HE1 MET 2 -4.156 -4.829 -0.024 16 HE2 MET 2 HE2 MET 2 -4.766 -5.995 -1.249 17 HE3 MET 2 HE3 MET 2 -3.628 -4.699 -1.736 18 H ARG 3 HN ARG 3 -4.304 -4.599 -3.043 19 HA ARG 3 HA ARG 3 -5.579 -4.643 -5.618 20 HB2 ARG 3 HB2 ARG 3 -6.557 -4.409 -2.813 21 HB3 ARG 3 HB1 ARG 3 -7.529 -3.681 -4.145 22 HG2 ARG 3 HG2 ARG 3 -8.567 -5.781 -3.949 23 HG3 ARG 3 HG1 ARG 3 -7.320 -6.152 -5.195 24 HD2 ARG 3 HD2 ARG 3 -6.635 -7.846 -3.785 25 HD3 ARG 3 HD1 ARG 3 -5.935 -6.521 -2.744 26 HE ARG 3 HE ARG 3 -8.743 -6.812 -2.138 27 HH11 ARG 3 HH11 ARG 3 -5.616 -8.498 -1.869 28 HH12 ARG 3 HH12 ARG 3 -6.021 -9.343 -0.412 29 HH21 ARG 3 HH21 ARG 3 -9.295 -7.963 -0.158 30 HH22 ARG 3 HH22 ARG 3 -8.149 -9.034 0.576 31 H LEU 4 HN LEU 4 -4.114 -3.165 -3.021 32 HA LEU 4 HA LEU 4 -5.110 -0.586 -3.463 33 HB2 LEU 4 HB2 LEU 4 -2.451 -0.709 -2.400 34 HB3 LEU 4 HB1 LEU 4 -3.917 -0.098 -1.617 35 HG LEU 4 HG LEU 4 -3.235 -2.978 -1.861 36 HD11 LEU 4 HD11 LEU 4 -2.854 -2.028 0.827 37 HD12 LEU 4 HD12 LEU 4 -1.941 -0.970 -0.336 38 HD13 LEU 4 HD13 LEU 4 -1.670 -2.755 -0.341 39 HD21 LEU 4 HD21 LEU 4 -5.493 -1.422 -0.623 40 HD22 LEU 4 HD22 LEU 4 -4.880 -2.848 0.303 41 HD23 LEU 4 HD23 LEU 4 -5.483 -3.060 -1.397 42 H SER 5 HN SER 5 -2.399 -2.460 -3.932 43 HA SER 5 HA SER 5 -0.427 -1.194 -4.704 44 HB2 SER 5 HB2 SER 5 0.401 -3.154 -5.190 45 HB3 SER 5 HB1 SER 5 -1.263 -3.709 -4.699 46 HG SER 5 HG SER 5 -0.408 -3.104 -7.371 47 H LYS 6 HN LYS 6 -3.114 -0.687 -6.643 48 HA LYS 6 HA LYS 6 -1.462 0.299 -8.801 49 HB2 LYS 6 HB2 LYS 6 -4.383 0.904 -7.987 50 HB3 LYS 6 HB1 LYS 6 -3.576 1.475 -9.491 51 HG2 LYS 6 HG2 LYS 6 -3.353 -0.858 -10.302 52 HG3 LYS 6 HG1 LYS 6 -4.075 -1.481 -8.776 53 HD2 LYS 6 HD2 LYS 6 -6.184 -0.260 -9.269 54 HD3 LYS 6 HD1 LYS 6 -5.474 0.377 -10.793 55 HE2 LYS 6 HE2 LYS 6 -5.250 -1.969 -11.673 56 HE3 LYS 6 HE1 LYS 6 -5.960 -2.609 -10.132 57 HZ1 LYS 6 HZ1 LYS 6 -7.443 -2.207 -12.163 58 HZ2 LYS 6 HZ2 LYS 6 -7.390 -0.570 -11.716 59 HZ3 LYS 6 HZ3 LYS 6 -7.994 -1.728 -10.630 60 H PHE 7 HN PHE 7 -1.766 0.429 -5.538 61 HA PHE 7 HA PHE 7 -2.193 3.165 -4.977 62 HB2 PHE 7 HB2 PHE 7 -3.164 1.188 -3.965 63 HB3 PHE 7 HB1 PHE 7 -1.643 0.758 -3.228 64 HD1 PHE 7 HD1 PHE 7 -4.599 1.416 -2.465 65 HD2 PHE 7 HD2 PHE 7 -0.842 3.292 -2.339 66 HE1 PHE 7 HE1 PHE 7 -5.039 2.271 -0.274 67 HE2 PHE 7 HE2 PHE 7 -1.117 4.182 -0.333 68 HZ PHE 7 HZ PHE 7 -3.363 3.767 0.907 69 H PHE 8 HN PHE 8 -0.184 0.575 -3.695 70 HA PHE 8 HA PHE 8 1.185 2.644 -2.337 71 HB2 PHE 8 HB2 PHE 8 2.630 0.526 -1.622 72 HB3 PHE 8 HB1 PHE 8 1.082 0.845 -0.798 73 HD1 PHE 8 HD1 PHE 8 3.104 -1.165 -2.341 74 HD2 PHE 8 HD2 PHE 8 -0.875 -0.163 -1.742 75 HE1 PHE 8 HE1 PHE 8 2.534 -3.274 -3.034 76 HE2 PHE 8 HE2 PHE 8 -1.490 -2.331 -2.477 77 HZ PHE 8 HZ PHE 8 0.215 -3.905 -3.080 78 H ARG 9 HN ARG 9 1.143 0.156 -4.428 79 HA ARG 9 HA ARG 9 3.819 0.160 -4.877 80 HB2 ARG 9 HB2 ARG 9 1.344 -0.999 -5.890 81 HB3 ARG 9 HB1 ARG 9 2.633 -0.816 -7.157 82 HG2 ARG 9 HG2 ARG 9 3.231 -2.153 -4.482 83 HG3 ARG 9 HG1 ARG 9 2.391 -3.081 -5.768 84 HD2 ARG 9 HD2 ARG 9 5.035 -1.580 -6.272 85 HD3 ARG 9 HD1 ARG 9 4.984 -3.299 -5.680 86 HE ARG 9 HE ARG 9 3.256 -3.143 -7.943 87 HH11 ARG 9 HH11 ARG 9 6.686 -2.683 -7.104 88 HH12 ARG 9 HH12 ARG 9 7.290 -3.159 -8.655 89 HH21 ARG 9 HH21 ARG 9 4.075 -3.791 -10.054 90 HH22 ARG 9 HH22 ARG 9 5.779 -3.799 -10.362 91 H ASP 10 HN ASP 10 1.426 2.183 -5.042 92 HA ASP 10 HA ASP 10 2.606 3.328 -7.268 93 HB2 ASP 10 HB2 ASP 10 0.452 2.297 -7.474 94 HB3 ASP 10 HB1 ASP 10 -0.142 3.733 -6.564 95 H DPN 11 HN DPN 11 2.242 3.708 -3.964 96 HA DPN 11 HA DPN 11 1.885 6.568 -4.367 97 HB2 DPN 11 HB1 DPN 11 4.402 6.334 -3.146 98 HB3 DPN 11 HB2 DPN 11 4.041 7.078 -4.746 99 HD1 DPN 11 HD1 DPN 11 4.407 5.691 -6.771 100 HD2 DPN 11 HD2 DPN 11 4.861 4.512 -2.821 101 HE1 DPN 11 HE1 DPN 11 4.850 3.362 -7.432 102 HE2 DPN 11 HE2 DPN 11 5.284 2.350 -3.430 103 HZ DPN 11 HZ DPN 11 5.188 1.835 -5.591 104 H ILE 12 HN ILE 12 3.822 4.879 -1.999 105 HA ILE 12 HA ILE 12 3.225 6.683 -0.002 106 HB ILE 12 HB ILE 12 2.406 4.529 1.403 107 HG12 ILE 12 HG12 ILE 12 0.620 3.454 0.083 108 HG13 ILE 12 HG11 ILE 12 1.145 4.409 -1.366 109 HG21 ILE 12 HG21 ILE 12 0.884 6.154 1.977 110 HG22 ILE 12 HG22 ILE 12 0.010 5.843 0.430 111 HG23 ILE 12 HG23 ILE 12 1.311 7.086 0.491 112 HD11 ILE 12 HD11 ILE 12 3.390 3.307 -0.073 113 HD12 ILE 12 HD12 ILE 12 2.821 3.102 -1.746 114 HD13 ILE 12 HD13 ILE 12 2.236 2.044 -0.386 115 H LEU 13 HN LEU 13 4.833 4.280 -1.656 116 HA LEU 13 HA LEU 13 6.592 3.507 0.551 117 HB2 LEU 13 HB2 LEU 13 6.629 2.500 -2.307 118 HB3 LEU 13 HB1 LEU 13 7.178 1.636 -0.824 119 HG LEU 13 HG LEU 13 4.401 2.427 -1.598 120 HD11 LEU 13 HD11 LEU 13 4.556 -0.385 -1.455 121 HD12 LEU 13 HD12 LEU 13 6.073 0.143 -2.287 122 HD13 LEU 13 HD13 LEU 13 4.472 0.658 -2.938 123 HD21 LEU 13 HD21 LEU 13 5.456 0.885 0.849 124 HD22 LEU 13 HD22 LEU 13 3.713 1.130 0.440 125 HD23 LEU 13 HD23 LEU 13 4.766 2.569 0.828 126 H GLN 14 HN GLN 14 6.565 4.482 -2.912 127 HA GLN 14 HA GLN 14 9.397 4.776 -2.974 128 HB2 GLN 14 HB2 GLN 14 7.411 6.407 -4.636 129 HB3 GLN 14 HB1 GLN 14 9.137 6.089 -5.039 130 HG2 GLN 14 HG2 GLN 14 6.796 4.201 -5.006 131 HG3 GLN 14 HG1 GLN 14 7.835 4.624 -6.410 132 HE21 GLN 14 HE21 GLN 14 7.203 2.571 -3.830 133 HE22 GLN 14 HE22 GLN 14 8.652 1.604 -3.836 134 H ARG 15 HN ARG 15 6.738 6.425 -1.717 135 HA ARG 15 HA ARG 15 8.360 8.838 -1.511 136 HB2 ARG 15 HB2 ARG 15 5.628 8.779 -0.233 137 HB3 ARG 15 HB1 ARG 15 6.422 10.098 -1.161 138 HG2 ARG 15 HG2 ARG 15 5.572 9.387 -3.172 139 HG3 ARG 15 HG1 ARG 15 5.692 7.643 -2.729 140 HD2 ARG 15 HD2 ARG 15 3.292 8.420 -2.900 141 HD3 ARG 15 HD1 ARG 15 3.737 7.834 -1.239 142 HE ARG 15 HE ARG 15 3.489 10.057 -0.425 143 HH11 ARG 15 HH11 ARG 15 3.496 9.975 -3.996 144 HH12 ARG 15 HH12 ARG 15 3.053 11.638 -4.187 145 HH21 ARG 15 HH21 ARG 15 2.895 12.321 -0.696 146 HH22 ARG 15 HH22 ARG 15 2.706 12.991 -2.282 147 H LYS 16 HN LYS 16 6.899 6.094 0.076 148 HA LYS 16 HA LYS 16 6.950 5.247 2.089 149 HB2 LYS 16 HB2 LYS 16 9.287 7.182 2.311 150 HB3 LYS 16 HB1 LYS 16 8.723 6.314 3.769 151 HG2 LYS 16 HG2 LYS 16 10.118 4.632 3.184 152 HG3 LYS 16 HG1 LYS 16 8.984 4.273 1.835 153 HD2 LYS 16 HD2 LYS 16 10.238 5.803 0.333 154 HD3 LYS 16 HD1 LYS 16 11.345 6.249 1.677 155 HE2 LYS 16 HE2 LYS 16 11.030 3.329 0.728 156 HE3 LYS 16 HE1 LYS 16 12.230 4.474 -0.006 157 HZ1 LYS 16 HZ1 LYS 16 13.547 4.156 1.695 158 HZ2 LYS 16 HZ2 LYS 16 12.490 2.968 2.293 159 HZ3 LYS 16 HZ3 LYS 16 12.347 4.576 2.820 160 H LYS 17 HN LYS 17 5.495 7.646 1.230 161 HA LYS 17 HA LYS 17 4.203 9.236 1.939 162 HB2 LYS 17 HB2 LYS 17 4.070 7.223 4.094 163 HB3 LYS 17 HB1 LYS 17 3.789 8.883 4.733 164 HG2 LYS 17 HG2 LYS 17 2.299 7.496 2.444 165 HG3 LYS 17 HG1 LYS 17 1.646 7.906 4.069 166 HD2 LYS 17 HD2 LYS 17 1.030 9.962 3.328 167 HD3 LYS 17 HD1 LYS 17 2.728 10.331 2.870 168 HE2 LYS 17 HE2 LYS 17 2.386 9.216 0.649 169 HE3 LYS 17 HE1 LYS 17 0.657 8.875 1.102 170 HZ1 LYS 17 HZ1 LYS 17 1.676 11.624 1.302 171 HZ2 LYS 17 HZ2 LYS 17 0.113 11.051 0.962 172 HZ3 LYS 17 HZ3 LYS 17 1.321 10.981 -0.230 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 0.818 -10.479 -4.864 2 H2 GLU 1 HT2 GLU 1 0.496 -9.624 -3.431 3 H3 GLU 1 HT3 GLU 1 0.810 -8.780 -4.871 4 HA GLU 1 HA GLU 1 -1.193 -9.326 -5.810 5 HB2 GLU 1 HB2 GLU 1 -1.062 -11.772 -5.198 6 HB3 GLU 1 HB1 GLU 1 -1.549 -11.346 -3.519 7 HG2 GLU 1 HG2 GLU 1 -3.758 -10.500 -4.343 8 HG3 GLU 1 HG1 GLU 1 -3.274 -10.865 -6.046 9 H MET 2 HN MET 2 -1.861 -7.209 -5.332 10 HA MET 2 HA MET 2 -3.350 -6.994 -2.845 11 HB2 MET 2 HB2 MET 2 -0.988 -5.350 -3.628 12 HB3 MET 2 HB1 MET 2 -2.424 -4.405 -3.110 13 HG2 MET 2 HG2 MET 2 -0.562 -6.157 -1.526 14 HG3 MET 2 HG1 MET 2 -1.366 -4.614 -1.104 15 HE1 MET 2 HE1 MET 2 -3.796 -4.610 -1.642 16 HE2 MET 2 HE2 MET 2 -4.595 -4.984 -0.078 17 HE3 MET 2 HE3 MET 2 -4.939 -5.988 -1.532 18 H ARG 3 HN ARG 3 -4.379 -4.565 -3.011 19 HA ARG 3 HA ARG 3 -5.709 -4.626 -5.531 20 HB2 ARG 3 HB2 ARG 3 -6.866 -5.478 -3.328 21 HB3 ARG 3 HB1 ARG 3 -6.818 -3.721 -2.904 22 HG2 ARG 3 HG2 ARG 3 -7.975 -4.485 -5.597 23 HG3 ARG 3 HG1 ARG 3 -8.954 -4.852 -4.131 24 HD2 ARG 3 HD2 ARG 3 -7.730 -2.161 -3.958 25 HD3 ARG 3 HD1 ARG 3 -8.771 -2.330 -5.446 26 HE ARG 3 HE ARG 3 -10.197 -3.458 -3.217 27 HH11 ARG 3 HH11 ARG 3 -8.940 -0.357 -4.431 28 HH12 ARG 3 HH12 ARG 3 -10.161 0.613 -3.676 29 HH21 ARG 3 HH21 ARG 3 -11.861 -2.144 -2.189 30 HH22 ARG 3 HH22 ARG 3 -11.851 -0.423 -2.379 31 H LEU 4 HN LEU 4 -4.252 -3.094 -2.926 32 HA LEU 4 HA LEU 4 -5.162 -0.520 -3.442 33 HB2 LEU 4 HB2 LEU 4 -2.513 -0.675 -2.363 34 HB3 LEU 4 HB1 LEU 4 -3.968 -0.023 -1.600 35 HG LEU 4 HG LEU 4 -3.345 -2.919 -1.785 36 HD11 LEU 4 HD11 LEU 4 -2.947 -1.932 0.886 37 HD12 LEU 4 HD12 LEU 4 -2.015 -0.905 -0.291 38 HD13 LEU 4 HD13 LEU 4 -1.772 -2.694 -0.269 39 HD21 LEU 4 HD21 LEU 4 -4.986 -2.797 0.335 40 HD22 LEU 4 HD22 LEU 4 -5.622 -2.866 -1.361 41 HD23 LEU 4 HD23 LEU 4 -5.533 -1.283 -0.486 42 H SER 5 HN SER 5 -2.475 -2.451 -3.861 43 HA SER 5 HA SER 5 -0.483 -1.215 -4.637 44 HB2 SER 5 HB2 SER 5 0.337 -3.187 -5.085 45 HB3 SER 5 HB1 SER 5 -1.332 -3.720 -4.595 46 HG SER 5 HG SER 5 -0.473 -3.162 -7.274 47 H LYS 6 HN LYS 6 -3.137 -0.698 -6.587 48 HA LYS 6 HA LYS 6 -1.448 0.225 -8.754 49 HB2 LYS 6 HB2 LYS 6 -4.364 0.980 -8.060 50 HB3 LYS 6 HB1 LYS 6 -3.496 1.360 -9.589 51 HG2 LYS 6 HG2 LYS 6 -4.237 -1.472 -8.619 52 HG3 LYS 6 HG1 LYS 6 -5.151 -0.517 -9.836 53 HD2 LYS 6 HD2 LYS 6 -3.098 -0.454 -11.297 54 HD3 LYS 6 HD1 LYS 6 -2.224 -1.456 -10.087 55 HE2 LYS 6 HE2 LYS 6 -3.889 -3.313 -10.418 56 HE3 LYS 6 HE1 LYS 6 -4.760 -2.303 -11.645 57 HZ1 LYS 6 HZ1 LYS 6 -3.366 -3.080 -13.119 58 HZ2 LYS 6 HZ2 LYS 6 -2.467 -3.913 -11.943 59 HZ3 LYS 6 HZ3 LYS 6 -2.073 -2.308 -12.335 60 H PHE 7 HN PHE 7 -1.793 0.409 -5.508 61 HA PHE 7 HA PHE 7 -2.196 3.162 -4.997 62 HB2 PHE 7 HB2 PHE 7 -3.196 1.212 -3.956 63 HB3 PHE 7 HB1 PHE 7 -1.686 0.778 -3.201 64 HD1 PHE 7 HD1 PHE 7 -4.638 1.480 -2.465 65 HD2 PHE 7 HD2 PHE 7 -0.864 3.322 -2.354 66 HE1 PHE 7 HE1 PHE 7 -5.083 2.380 -0.295 67 HE2 PHE 7 HE2 PHE 7 -1.141 4.252 -0.366 68 HZ PHE 7 HZ PHE 7 -3.398 3.881 0.867 69 H PHE 8 HN PHE 8 -0.226 0.571 -3.655 70 HA PHE 8 HA PHE 8 1.157 2.647 -2.322 71 HB2 PHE 8 HB2 PHE 8 2.573 0.526 -1.561 72 HB3 PHE 8 HB1 PHE 8 1.023 0.876 -0.754 73 HD1 PHE 8 HD1 PHE 8 3.033 -1.184 -2.239 74 HD2 PHE 8 HD2 PHE 8 -0.939 -0.127 -1.701 75 HE1 PHE 8 HE1 PHE 8 2.448 -3.298 -2.897 76 HE2 PHE 8 HE2 PHE 8 -1.572 -2.302 -2.401 77 HZ PHE 8 HZ PHE 8 0.124 -3.905 -2.954 78 H ARG 9 HN ARG 9 1.101 0.121 -4.368 79 HA ARG 9 HA ARG 9 3.781 0.087 -4.796 80 HB2 ARG 9 HB2 ARG 9 1.300 -1.061 -5.809 81 HB3 ARG 9 HB1 ARG 9 2.600 -0.916 -7.068 82 HG2 ARG 9 HG2 ARG 9 3.164 -2.210 -4.364 83 HG3 ARG 9 HG1 ARG 9 2.321 -3.153 -5.639 84 HD2 ARG 9 HD2 ARG 9 4.987 -1.693 -6.151 85 HD3 ARG 9 HD1 ARG 9 4.909 -3.402 -5.531 86 HE ARG 9 HE ARG 9 3.199 -3.264 -7.806 87 HH11 ARG 9 HH11 ARG 9 6.629 -2.825 -6.955 88 HH12 ARG 9 HH12 ARG 9 7.237 -3.333 -8.496 89 HH21 ARG 9 HH21 ARG 9 4.023 -3.955 -9.902 90 HH22 ARG 9 HH22 ARG 9 5.728 -3.986 -10.200 91 H ASP 10 HN ASP 10 1.413 2.136 -5.017 92 HA ASP 10 HA ASP 10 2.626 3.224 -7.255 93 HB2 ASP 10 HB2 ASP 10 0.461 2.214 -7.459 94 HB3 ASP 10 HB1 ASP 10 -0.124 3.674 -6.582 95 H DPN 11 HN DPN 11 2.238 3.670 -3.961 96 HA DPN 11 HA DPN 11 1.919 6.525 -4.420 97 HB2 DPN 11 HB1 DPN 11 4.423 6.286 -3.176 98 HB3 DPN 11 HB2 DPN 11 4.083 7.002 -4.792 99 HD1 DPN 11 HD1 DPN 11 4.449 5.572 -6.786 100 HD2 DPN 11 HD2 DPN 11 4.858 4.466 -2.811 101 HE1 DPN 11 HE1 DPN 11 4.871 3.226 -7.399 102 HE2 DPN 11 HE2 DPN 11 5.260 2.287 -3.375 103 HZ DPN 11 HZ DPN 11 5.176 1.732 -5.527 104 H ILE 12 HN ILE 12 3.819 4.859 -2.005 105 HA ILE 12 HA ILE 12 3.229 6.706 -0.048 106 HB ILE 12 HB ILE 12 2.367 4.592 1.391 107 HG12 ILE 12 HG12 ILE 12 0.581 3.513 0.077 108 HG13 ILE 12 HG11 ILE 12 1.127 4.434 -1.387 109 HG21 ILE 12 HG21 ILE 12 0.845 6.230 1.921 110 HG22 ILE 12 HG22 ILE 12 0.005 5.933 0.352 111 HG23 ILE 12 HG23 ILE 12 1.326 7.151 0.446 112 HD11 ILE 12 HD11 ILE 12 2.192 2.077 -0.372 113 HD12 ILE 12 HD12 ILE 12 3.347 3.323 -0.039 114 HD13 ILE 12 HD13 ILE 12 2.799 3.105 -1.727 115 H LEU 13 HN LEU 13 4.820 4.255 -1.644 116 HA LEU 13 HA LEU 13 6.547 3.497 0.596 117 HB2 LEU 13 HB2 LEU 13 6.598 2.440 -2.244 118 HB3 LEU 13 HB1 LEU 13 7.124 1.597 -0.741 119 HG LEU 13 HG LEU 13 4.363 2.404 -1.555 120 HD11 LEU 13 HD11 LEU 13 4.422 0.613 -2.862 121 HD12 LEU 13 HD12 LEU 13 4.494 -0.409 -1.360 122 HD13 LEU 13 HD13 LEU 13 6.014 0.095 -2.197 123 HD21 LEU 13 HD21 LEU 13 3.640 1.153 0.497 124 HD22 LEU 13 HD22 LEU 13 4.710 2.581 0.871 125 HD23 LEU 13 HD23 LEU 13 5.378 0.888 0.924 126 H GLN 14 HN GLN 14 6.569 4.404 -2.886 127 HA GLN 14 HA GLN 14 9.403 4.661 -2.930 128 HB2 GLN 14 HB2 GLN 14 7.452 6.291 -4.634 129 HB3 GLN 14 HB1 GLN 14 9.176 5.943 -5.019 130 HG2 GLN 14 HG2 GLN 14 6.809 4.090 -4.973 131 HG3 GLN 14 HG1 GLN 14 7.866 4.473 -6.375 132 HE21 GLN 14 HE21 GLN 14 7.179 2.471 -3.769 133 HE22 GLN 14 HE22 GLN 14 8.615 1.485 -3.745 134 H ARG 15 HN ARG 15 6.759 6.367 -1.725 135 HA ARG 15 HA ARG 15 8.414 8.759 -1.539 136 HB2 ARG 15 HB2 ARG 15 5.666 8.762 -0.297 137 HB3 ARG 15 HB1 ARG 15 6.491 10.056 -1.235 138 HG2 ARG 15 HG2 ARG 15 5.649 9.330 -3.243 139 HG3 ARG 15 HG1 ARG 15 5.749 7.590 -2.780 140 HD2 ARG 15 HD2 ARG 15 3.358 8.392 -2.989 141 HD3 ARG 15 HD1 ARG 15 3.776 7.805 -1.323 142 HE ARG 15 HE ARG 15 3.533 10.028 -0.514 143 HH11 ARG 15 HH11 ARG 15 3.611 9.954 -4.085 144 HH12 ARG 15 HH12 ARG 15 3.146 11.611 -4.279 145 HH21 ARG 15 HH21 ARG 15 2.901 12.276 -0.790 146 HH22 ARG 15 HH22 ARG 15 2.737 12.951 -2.376 147 H LYS 16 HN LYS 16 6.884 6.065 0.076 148 HA LYS 16 HA LYS 16 6.888 5.258 2.104 149 HB2 LYS 16 HB2 LYS 16 9.288 7.107 2.277 150 HB3 LYS 16 HB1 LYS 16 8.673 6.357 3.780 151 HG2 LYS 16 HG2 LYS 16 9.990 4.577 3.308 152 HG3 LYS 16 HG1 LYS 16 8.839 4.191 1.982 153 HD2 LYS 16 HD2 LYS 16 10.897 4.250 0.849 154 HD3 LYS 16 HD1 LYS 16 10.246 5.901 0.556 155 HE2 LYS 16 HE2 LYS 16 11.689 6.829 2.364 156 HE3 LYS 16 HE1 LYS 16 12.289 5.166 2.768 157 HZ1 LYS 16 HZ1 LYS 16 13.533 6.794 1.136 158 HZ2 LYS 16 HZ2 LYS 16 12.519 6.052 -0.007 159 HZ3 LYS 16 HZ3 LYS 16 13.563 5.108 0.945 160 H LYS 17 HN LYS 17 5.502 7.670 1.182 161 HA LYS 17 HA LYS 17 4.258 9.320 1.834 162 HB2 LYS 17 HB2 LYS 17 3.947 7.297 3.948 163 HB3 LYS 17 HB1 LYS 17 3.728 8.955 4.617 164 HG2 LYS 17 HG2 LYS 17 2.247 7.690 2.255 165 HG3 LYS 17 HG1 LYS 17 1.561 8.117 3.860 166 HD2 LYS 17 HD2 LYS 17 1.068 10.199 3.100 167 HD3 LYS 17 HD1 LYS 17 2.807 10.498 2.762 168 HE2 LYS 17 HE2 LYS 17 1.855 10.828 0.632 169 HE3 LYS 17 HE1 LYS 17 2.325 9.078 0.537 170 HZ1 LYS 17 HZ1 LYS 17 -0.089 8.850 1.556 171 HZ2 LYS 17 HZ2 LYS 17 0.198 8.956 -0.115 172 HZ3 LYS 17 HZ3 LYS 17 -0.312 10.326 0.747
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