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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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605037 |
5giw ![]() ![]() |
36009 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HN MET 1 5.891 -12.270 -5.945 2 HA MET 1 HA MET 1 4.461 -9.676 -5.884 3 HB2 MET 1 HB2 MET 1 3.283 -12.462 -5.749 4 HB3 MET 1 HB1 MET 1 2.373 -10.966 -5.537 5 HG2 MET 1 HG2 MET 1 2.176 -10.748 -7.766 6 HG3 MET 1 HG1 MET 1 3.932 -10.752 -7.934 7 HE1 MET 1 HE1 MET 1 1.136 -13.356 -6.841 8 HE2 MET 1 HE2 MET 1 0.971 -14.195 -8.381 9 HE3 MET 1 HE3 MET 1 0.659 -12.464 -8.293 10 H ALA 2 HN ALA 2 3.759 -8.935 -3.907 11 HA ALA 2 HA ALA 2 5.147 -9.918 -1.600 12 HB1 ALA 2 HB1 ALA 2 4.784 -7.804 -0.955 13 HB2 ALA 2 HB2 ALA 2 3.058 -8.145 -0.834 14 HB3 ALA 2 HB3 ALA 2 3.735 -7.548 -2.349 15 HA PRO 3 HA PRO 3 2.149 -12.651 0.095 16 HB2 PRO 3 HB2 PRO 3 2.232 -12.085 2.774 17 HB3 PRO 3 HB1 PRO 3 3.530 -12.936 1.918 18 HG2 PRO 3 HG2 PRO 3 3.360 -10.081 2.738 19 HG3 PRO 3 HG1 PRO 3 4.745 -11.186 2.769 20 HD2 PRO 3 HD2 PRO 3 4.387 -9.299 0.815 21 HD3 PRO 3 HD1 PRO 3 5.254 -10.827 0.545 22 H ARG 4 HN ARG 4 1.085 -10.145 -0.925 23 HA ARG 4 HA ARG 4 -0.752 -8.740 -0.769 24 HB2 ARG 4 HB2 ARG 4 -1.740 -11.465 0.051 25 HB3 ARG 4 HB1 ARG 4 -2.840 -10.093 -0.092 26 HG2 ARG 4 HG2 ARG 4 -2.111 -9.744 -2.422 27 HG3 ARG 4 HG1 ARG 4 -1.008 -11.114 -2.283 28 HD2 ARG 4 HD2 ARG 4 -2.906 -12.066 -3.290 29 HD3 ARG 4 HD1 ARG 4 -3.118 -12.458 -1.586 30 HE ARG 4 HE ARG 4 -4.978 -11.070 -1.559 31 HH11 ARG 4 HH11 ARG 4 -6.465 -9.644 -2.515 32 HH12 ARG 4 HH12 ARG 4 -6.091 -8.901 -4.034 33 HH21 ARG 4 HH21 ARG 4 -2.997 -10.439 -4.326 34 HH22 ARG 4 HH22 ARG 4 -4.128 -9.351 -5.059 35 H GLY 5 HN GLY 5 0.793 -8.086 1.297 36 HA2 GLY 5 HA2 GLY 5 -1.139 -7.375 3.348 37 HA3 GLY 5 HA1 GLY 5 0.188 -8.392 3.900 38 H PHE 6 HN PHE 6 2.390 -7.590 3.565 39 HA PHE 6 HA PHE 6 2.888 -5.103 4.599 40 HB2 PHE 6 HB2 PHE 6 4.429 -7.172 3.388 41 HB3 PHE 6 HB1 PHE 6 4.961 -5.632 2.713 42 HD1 PHE 6 HD1 PHE 6 4.730 -7.691 5.733 43 HD2 PHE 6 HD2 PHE 6 5.809 -3.833 4.183 44 HE1 PHE 6 HE1 PHE 6 5.941 -7.185 7.838 45 HE2 PHE 6 HE2 PHE 6 7.020 -3.327 6.287 46 HZ PHE 6 HZ PHE 6 7.086 -5.002 8.114 47 H SER 7 HN SER 7 2.688 -5.955 1.149 48 HA SER 7 HA SER 7 2.944 -3.158 0.375 49 HB2 SER 7 HB2 SER 7 2.934 -5.780 -1.027 50 HB3 SER 7 HB1 SER 7 2.367 -4.383 -1.938 51 HG SER 7 HG SER 7 4.881 -4.885 -0.776 52 H CYS 8 HN CYS 8 0.479 -5.186 1.387 53 HA CYS 8 HA CYS 8 -1.616 -4.166 -0.327 54 HB2 CYS 8 HB2 CYS 8 -1.441 -6.446 1.026 55 HB3 CYS 8 HB1 CYS 8 -2.214 -5.481 2.284 56 HG CYS 8 HG CYS 8 -4.143 -6.433 0.831 57 H LEU 9 HN LEU 9 -0.413 -3.560 2.940 58 HA LEU 9 HA LEU 9 -2.510 -1.689 3.583 59 HB2 LEU 9 HB2 LEU 9 -1.225 -1.269 5.613 60 HB3 LEU 9 HB1 LEU 9 -1.334 -3.005 5.323 61 HG LEU 9 HG LEU 9 0.943 -2.296 3.923 62 HD11 LEU 9 HD11 LEU 9 1.019 -0.857 6.587 63 HD12 LEU 9 HD12 LEU 9 0.745 -0.032 5.053 64 HD13 LEU 9 HD13 LEU 9 2.267 -0.875 5.342 65 HD21 LEU 9 HD21 LEU 9 0.553 -3.341 6.740 66 HD22 LEU 9 HD22 LEU 9 2.119 -3.327 5.929 67 HD23 LEU 9 HD23 LEU 9 0.792 -4.284 5.270 68 H LEU 10 HN LEU 10 0.569 -1.555 2.010 69 HA LEU 10 HA LEU 10 0.953 1.286 2.387 70 HB2 LEU 10 HB2 LEU 10 2.298 -0.725 0.568 71 HB3 LEU 10 HB1 LEU 10 2.784 0.962 0.701 72 HG LEU 10 HG LEU 10 2.668 -0.979 3.031 73 HD11 LEU 10 HD11 LEU 10 5.063 -1.136 2.873 74 HD12 LEU 10 HD12 LEU 10 5.117 0.093 1.609 75 HD13 LEU 10 HD13 LEU 10 4.415 -1.490 1.272 76 HD21 LEU 10 HD21 LEU 10 4.310 0.980 3.843 77 HD22 LEU 10 HD22 LEU 10 2.566 1.079 4.074 78 HD23 LEU 10 HD23 LEU 10 3.325 1.923 2.726 79 H LEU 11 HN LEU 11 -0.843 -0.717 0.274 80 HA LEU 11 HA LEU 11 -0.874 0.993 -2.017 81 HB2 LEU 11 HB2 LEU 11 -1.447 -1.382 -2.191 82 HB3 LEU 11 HB1 LEU 11 -2.834 -1.138 -1.130 83 HG LEU 11 HG LEU 11 -2.789 0.744 -3.371 84 HD11 LEU 11 HD11 LEU 11 -1.753 -1.163 -4.528 85 HD12 LEU 11 HD12 LEU 11 -3.414 -0.943 -5.079 86 HD13 LEU 11 HD13 LEU 11 -3.027 -2.228 -3.935 87 HD21 LEU 11 HD21 LEU 11 -4.803 -1.329 -2.440 88 HD22 LEU 11 HD22 LEU 11 -5.132 0.020 -3.528 89 HD23 LEU 11 HD23 LEU 11 -4.708 0.328 -1.844 90 H LEU 12 HN LEU 12 -2.757 0.765 0.933 91 HA LEU 12 HA LEU 12 -4.884 2.477 0.088 92 HB2 LEU 12 HB2 LEU 12 -3.912 1.516 2.774 93 HB3 LEU 12 HB1 LEU 12 -5.235 2.674 2.629 94 HG LEU 12 HG LEU 12 -5.452 0.328 0.849 95 HD11 LEU 12 HD11 LEU 12 -4.542 -0.810 2.795 96 HD12 LEU 12 HD12 LEU 12 -6.277 -1.118 2.725 97 HD13 LEU 12 HD13 LEU 12 -5.636 0.066 3.865 98 HD21 LEU 12 HD21 LEU 12 -7.381 1.523 2.860 99 HD22 LEU 12 HD22 LEU 12 -7.779 0.506 1.475 100 HD23 LEU 12 HD23 LEU 12 -7.176 2.144 1.222 101 H THR 13 HN THR 13 -1.924 2.980 1.994 102 HA THR 13 HA THR 13 -2.333 5.711 2.560 103 HB THR 13 HB THR 13 0.008 5.776 3.129 104 HG1 THR 13 HG1 THR 13 0.418 4.453 1.068 105 HG21 THR 13 HG21 THR 13 -0.216 3.014 3.916 106 HG22 THR 13 HG22 THR 13 -1.790 3.798 4.054 107 HG23 THR 13 HG23 THR 13 -0.396 4.462 4.906 108 H DSN 14 HN DSE 14 -1.449 4.085 -0.338 109 HA DSN 14 HA DSE 14 -1.084 6.687 -1.667 110 HB2 DSN 14 HB1 DSE 14 -2.785 4.715 -2.323 111 HB3 DSN 14 HB2 DSE 14 -1.381 4.192 -3.249 112 HG DSN 14 HG DSE 14 -2.588 6.752 -3.338 113 H GLU 15 HN GLU 15 0.817 4.448 -0.300 114 HA GLU 15 HA GLU 15 3.200 5.289 -1.475 115 HB2 GLU 15 HB2 GLU 15 2.374 3.258 0.433 116 HB3 GLU 15 HB1 GLU 15 3.715 2.704 -0.569 117 HG2 GLU 15 HG2 GLU 15 3.677 5.387 0.834 118 HG3 GLU 15 HG1 GLU 15 4.417 3.942 1.520 119 H ILE 16 HN ILE 16 1.583 2.136 -1.958 120 HA ILE 16 HA ILE 16 3.103 1.799 -4.451 121 HB ILE 16 HB ILE 16 1.332 -0.211 -3.050 122 HG12 ILE 16 HG12 ILE 16 4.336 0.186 -2.854 123 HG13 ILE 16 HG11 ILE 16 3.178 0.566 -1.578 124 HG21 ILE 16 HG21 ILE 16 1.876 -0.599 -5.463 125 HG22 ILE 16 HG22 ILE 16 2.566 -1.826 -4.400 126 HG23 ILE 16 HG23 ILE 16 3.589 -0.545 -5.050 127 HD11 ILE 16 HD11 ILE 16 2.415 -1.859 -1.724 128 HD12 ILE 16 HD12 ILE 16 4.032 -1.608 -1.066 129 HD13 ILE 16 HD13 ILE 16 3.831 -2.150 -2.733 130 H ASP 17 HN ASP 17 1.662 3.581 -5.298 131 HA ASP 17 HA ASP 17 -0.984 2.581 -6.125 132 HB2 ASP 17 HB2 ASP 17 -0.245 5.029 -5.123 133 HB3 ASP 17 HB1 ASP 17 -0.263 5.329 -6.860 134 H LEU 18 HN LEU 18 1.546 1.654 -7.291 135 HA LEU 18 HA LEU 18 1.501 2.845 -9.965 136 HB2 LEU 18 HB2 LEU 18 3.331 0.590 -9.509 137 HB3 LEU 18 HB1 LEU 18 3.642 2.182 -10.192 138 HG LEU 18 HG LEU 18 3.340 1.568 -7.234 139 HD11 LEU 18 HD11 LEU 18 5.596 1.539 -9.069 140 HD12 LEU 18 HD12 LEU 18 5.511 1.009 -7.390 141 HD13 LEU 18 HD13 LEU 18 5.833 2.702 -7.764 142 HD21 LEU 18 HD21 LEU 18 3.231 4.035 -8.807 143 HD22 LEU 18 HD22 LEU 18 4.487 4.078 -7.570 144 HD23 LEU 18 HD23 LEU 18 2.811 3.768 -7.115 145 HA PRO 19 HA PRO 19 0.240 -1.624 -10.923 146 HB2 PRO 19 HB2 PRO 19 -0.369 -3.343 -8.921 147 HB3 PRO 19 HB1 PRO 19 1.299 -3.059 -9.455 148 HG2 PRO 19 HG2 PRO 19 -0.093 -2.113 -7.029 149 HG3 PRO 19 HG1 PRO 19 1.619 -2.476 -7.285 150 HD2 PRO 19 HD2 PRO 19 0.431 0.091 -7.273 151 HD3 PRO 19 HD1 PRO 19 2.082 -0.305 -7.785 152 H VAL 20 HN VAL 20 -1.383 0.696 -9.641 153 HA VAL 20 HA VAL 20 -3.996 -0.538 -10.104 154 HB VAL 20 HB VAL 20 -3.656 -0.698 -7.667 155 HG11 VAL 20 HG11 VAL 20 -2.815 1.001 -6.419 156 HG12 VAL 20 HG12 VAL 20 -3.803 2.209 -7.239 157 HG13 VAL 20 HG13 VAL 20 -2.285 1.674 -7.960 158 HG21 VAL 20 HG21 VAL 20 -5.819 0.482 -9.033 159 HG22 VAL 20 HG22 VAL 20 -5.572 1.480 -7.600 160 HG23 VAL 20 HG23 VAL 20 -5.856 -0.253 -7.430 161 H LYS 21 HN LYS 21 -2.543 1.183 -11.759 162 HA LYS 21 HA LYS 21 -4.403 3.421 -11.913 163 HB2 LYS 21 HB2 LYS 21 -2.427 4.162 -10.494 164 HB3 LYS 21 HB1 LYS 21 -1.434 3.972 -11.940 165 HG2 LYS 21 HG2 LYS 21 -3.074 5.498 -13.135 166 HG3 LYS 21 HG1 LYS 21 -3.791 5.832 -11.558 167 HD2 LYS 21 HD2 LYS 21 -1.665 6.685 -10.723 168 HD3 LYS 21 HD1 LYS 21 -0.865 6.252 -12.234 169 HE2 LYS 21 HE2 LYS 21 -3.171 8.208 -12.025 170 HE3 LYS 21 HE1 LYS 21 -1.474 8.677 -12.113 171 HZ1 LYS 21 HZ1 LYS 21 -3.196 8.049 -14.217 172 HZ2 LYS 21 HZ2 LYS 21 -2.008 6.835 -14.158 173 HZ3 LYS 21 HZ3 LYS 21 -1.554 8.467 -14.299 174 H ARG 22 HN ARG 22 -1.243 2.511 -13.311 175 HA ARG 22 HA ARG 22 -2.549 2.194 -15.928 176 HB2 ARG 22 HB2 ARG 22 -0.256 3.379 -16.709 177 HB3 ARG 22 HB1 ARG 22 -1.751 4.272 -16.431 178 HG2 ARG 22 HG2 ARG 22 -1.068 4.841 -14.179 179 HG3 ARG 22 HG1 ARG 22 0.350 3.798 -14.300 180 HD2 ARG 22 HD2 ARG 22 -0.134 6.145 -16.147 181 HD3 ARG 22 HD1 ARG 22 0.798 6.272 -14.658 182 HE ARG 22 HE ARG 22 1.850 4.133 -16.133 183 HH11 ARG 22 HH11 ARG 22 3.712 4.449 -17.395 184 HH12 ARG 22 HH12 ARG 22 4.147 6.047 -17.902 185 HH21 ARG 22 HH21 ARG 22 1.443 7.563 -16.347 186 HH22 ARG 22 HH22 ARG 22 2.862 7.810 -17.309 187 H ARG 23 HN ARG 23 -0.936 1.259 -17.546 188 HA ARG 23 HA ARG 23 -0.003 -1.212 -16.642 189 HB2 ARG 23 HB2 ARG 23 -0.479 -0.721 -19.008 190 HB3 ARG 23 HB1 ARG 23 0.921 0.350 -19.066 191 HG2 ARG 23 HG2 ARG 23 2.328 -1.386 -19.351 192 HG3 ARG 23 HG1 ARG 23 1.642 -2.239 -17.968 193 HD2 ARG 23 HD2 ARG 23 -0.150 -3.132 -19.333 194 HD3 ARG 23 HD1 ARG 23 0.355 -2.155 -20.709 195 HE ARG 23 HE ARG 23 1.566 -4.630 -19.807 196 HH11 ARG 23 HH11 ARG 23 3.241 -5.419 -21.122 197 HH12 ARG 23 HH12 ARG 23 3.953 -4.390 -22.320 198 HH21 ARG 23 HH21 ARG 23 1.937 -1.672 -21.563 199 HH22 ARG 23 HH22 ARG 23 3.214 -2.268 -22.569 200 H ALA 24 HN ALA 24 1.760 1.822 -17.188 201 HA ALA 24 HA ALA 24 3.902 2.463 -16.629 202 HB1 ALA 24 HB1 ALA 24 4.505 2.061 -14.327 203 HB2 ALA 24 HB2 ALA 24 3.405 0.685 -14.231 204 HB3 ALA 24 HB3 ALA 24 2.762 2.319 -14.399 Start of MODEL 2 1 H MET 1 HN MET 1 3.350 -8.855 -8.076 2 HA MET 1 HA MET 1 1.123 -10.667 -7.727 3 HB2 MET 1 HB2 MET 1 3.006 -11.748 -9.271 4 HB3 MET 1 HB1 MET 1 3.756 -12.067 -7.707 5 HG2 MET 1 HG2 MET 1 1.529 -13.045 -6.967 6 HG3 MET 1 HG1 MET 1 1.019 -12.946 -8.652 7 HE1 MET 1 HE1 MET 1 0.498 -15.402 -8.687 8 HE2 MET 1 HE2 MET 1 1.683 -16.396 -9.531 9 HE3 MET 1 HE3 MET 1 1.224 -14.830 -10.195 10 H ALA 2 HN ALA 2 2.188 -8.472 -6.257 11 HA ALA 2 HA ALA 2 3.810 -9.344 -4.087 12 HB1 ALA 2 HB1 ALA 2 2.539 -6.908 -4.944 13 HB2 ALA 2 HB2 ALA 2 3.882 -7.120 -3.819 14 HB3 ALA 2 HB3 ALA 2 2.221 -7.172 -3.229 15 HA PRO 3 HA PRO 3 0.904 -11.301 -1.431 16 HB2 PRO 3 HB2 PRO 3 1.571 -10.322 1.044 17 HB3 PRO 3 HB1 PRO 3 2.542 -11.518 0.166 18 HG2 PRO 3 HG2 PRO 3 2.956 -8.589 0.455 19 HG3 PRO 3 HG1 PRO 3 4.144 -9.903 0.433 20 HD2 PRO 3 HD2 PRO 3 3.661 -8.291 -1.729 21 HD3 PRO 3 HD1 PRO 3 4.233 -9.967 -1.873 22 H ARG 4 HN ARG 4 -0.391 -10.546 0.836 23 HA ARG 4 HA ARG 4 -1.948 -8.156 0.042 24 HB2 ARG 4 HB2 ARG 4 -2.950 -10.629 -0.083 25 HB3 ARG 4 HB1 ARG 4 -3.236 -10.320 1.630 26 HG2 ARG 4 HG2 ARG 4 -4.330 -8.146 0.978 27 HG3 ARG 4 HG1 ARG 4 -4.196 -8.649 -0.708 28 HD2 ARG 4 HD2 ARG 4 -5.637 -10.202 1.458 29 HD3 ARG 4 HD1 ARG 4 -6.421 -9.194 0.246 30 HE ARG 4 HE ARG 4 -4.696 -11.232 -0.872 31 HH11 ARG 4 HH11 ARG 4 -5.754 -12.861 -2.050 32 HH12 ARG 4 HH12 ARG 4 -7.471 -13.047 -1.912 33 HH21 ARG 4 HH21 ARG 4 -7.840 -10.430 0.332 34 HH22 ARG 4 HH22 ARG 4 -8.652 -11.671 -0.563 35 H GLY 5 HN GLY 5 0.321 -8.169 1.798 36 HA2 GLY 5 HA2 GLY 5 -1.012 -7.260 4.270 37 HA3 GLY 5 HA1 GLY 5 0.391 -8.320 4.370 38 H PHE 6 HN PHE 6 2.442 -7.532 3.762 39 HA PHE 6 HA PHE 6 3.058 -4.925 4.496 40 HB2 PHE 6 HB2 PHE 6 4.465 -7.198 3.474 41 HB3 PHE 6 HB1 PHE 6 5.008 -5.760 2.610 42 HD1 PHE 6 HD1 PHE 6 4.679 -7.350 5.930 43 HD2 PHE 6 HD2 PHE 6 6.163 -3.960 3.748 44 HE1 PHE 6 HE1 PHE 6 6.005 -6.658 7.908 45 HE2 PHE 6 HE2 PHE 6 7.491 -3.268 5.727 46 HZ PHE 6 HZ PHE 6 7.411 -4.617 7.806 47 H SER 7 HN SER 7 2.359 -6.260 1.299 48 HA SER 7 HA SER 7 2.789 -3.668 0.027 49 HB2 SER 7 HB2 SER 7 2.469 -6.459 -0.868 50 HB3 SER 7 HB1 SER 7 1.727 -5.254 -1.917 51 HG SER 7 HG SER 7 4.417 -5.364 -1.010 52 H CYS 8 HN CYS 8 0.325 -5.155 1.698 53 HA CYS 8 HA CYS 8 -1.867 -4.141 0.073 54 HB2 CYS 8 HB2 CYS 8 -2.629 -6.054 1.065 55 HB3 CYS 8 HB1 CYS 8 -1.594 -5.859 2.480 56 HG CYS 8 HG CYS 8 -3.284 -3.988 3.327 57 H LEU 9 HN LEU 9 -0.360 -3.458 3.219 58 HA LEU 9 HA LEU 9 -2.133 -1.292 3.838 59 HB2 LEU 9 HB2 LEU 9 -0.657 -0.860 5.706 60 HB3 LEU 9 HB1 LEU 9 -0.878 -2.603 5.556 61 HG LEU 9 HG LEU 9 1.294 -2.137 3.918 62 HD11 LEU 9 HD11 LEU 9 1.271 0.231 4.905 63 HD12 LEU 9 HD12 LEU 9 2.794 -0.649 5.023 64 HD13 LEU 9 HD13 LEU 9 1.742 -0.517 6.431 65 HD21 LEU 9 HD21 LEU 9 1.146 -2.890 6.851 66 HD22 LEU 9 HD22 LEU 9 2.598 -3.079 5.869 67 HD23 LEU 9 HD23 LEU 9 1.140 -3.986 5.468 68 H LEU 10 HN LEU 10 0.541 -1.624 1.762 69 HA LEU 10 HA LEU 10 1.316 1.184 1.892 70 HB2 LEU 10 HB2 LEU 10 2.255 -1.137 0.196 71 HB3 LEU 10 HB1 LEU 10 2.876 0.501 0.019 72 HG LEU 10 HG LEU 10 2.929 -1.080 2.609 73 HD11 LEU 10 HD11 LEU 10 5.237 -0.463 0.750 74 HD12 LEU 10 HD12 LEU 10 4.375 -2.001 0.748 75 HD13 LEU 10 HD13 LEU 10 5.261 -1.490 2.184 76 HD21 LEU 10 HD21 LEU 10 3.603 1.696 1.847 77 HD22 LEU 10 HD22 LEU 10 4.865 0.865 2.752 78 HD23 LEU 10 HD23 LEU 10 3.248 1.019 3.435 79 H LEU 11 HN LEU 11 -0.927 -0.779 0.243 80 HA LEU 11 HA LEU 11 -1.084 0.875 -2.137 81 HB2 LEU 11 HB2 LEU 11 -1.560 -1.591 -2.147 82 HB3 LEU 11 HB1 LEU 11 -3.006 -1.262 -1.192 83 HG LEU 11 HG LEU 11 -3.078 0.566 -3.339 84 HD11 LEU 11 HD11 LEU 11 -2.904 -0.859 -5.306 85 HD12 LEU 11 HD12 LEU 11 -2.515 -2.255 -4.301 86 HD13 LEU 11 HD13 LEU 11 -1.376 -0.913 -4.427 87 HD21 LEU 11 HD21 LEU 11 -4.537 -2.037 -2.799 88 HD22 LEU 11 HD22 LEU 11 -5.036 -0.868 -4.021 89 HD23 LEU 11 HD23 LEU 11 -5.042 -0.419 -2.315 90 H LEU 12 HN LEU 12 -2.906 0.379 0.852 91 HA LEU 12 HA LEU 12 -5.100 2.050 0.211 92 HB2 LEU 12 HB2 LEU 12 -3.910 1.117 2.821 93 HB3 LEU 12 HB1 LEU 12 -5.319 2.178 2.762 94 HG LEU 12 HG LEU 12 -5.486 -0.145 0.957 95 HD11 LEU 12 HD11 LEU 12 -4.376 -1.313 2.740 96 HD12 LEU 12 HD12 LEU 12 -6.097 -1.660 2.902 97 HD13 LEU 12 HD13 LEU 12 -5.332 -0.478 3.963 98 HD21 LEU 12 HD21 LEU 12 -7.764 -0.181 1.805 99 HD22 LEU 12 HD22 LEU 12 -7.320 1.494 1.483 100 HD23 LEU 12 HD23 LEU 12 -7.326 0.887 3.138 101 H THR 13 HN THR 13 -2.127 2.678 2.077 102 HA THR 13 HA THR 13 -2.588 5.347 2.717 103 HB THR 13 HB THR 13 0.030 5.456 2.519 104 HG1 THR 13 HG1 THR 13 0.803 3.727 1.651 105 HG21 THR 13 HG21 THR 13 0.153 4.032 4.636 106 HG22 THR 13 HG22 THR 13 -1.563 3.700 4.393 107 HG23 THR 13 HG23 THR 13 -1.014 5.354 4.661 108 H DSN 14 HN DSE 14 -0.747 4.085 -0.072 109 HA DSN 14 HA DSE 14 -1.071 6.698 -1.392 110 HB2 DSN 14 HB1 DSE 14 -2.706 4.648 -2.053 111 HB3 DSN 14 HB2 DSE 14 -1.350 4.317 -3.127 112 HG DSN 14 HG DSE 14 -1.680 6.877 -3.274 113 H GLU 15 HN GLU 15 0.831 3.998 -0.607 114 HA GLU 15 HA GLU 15 3.173 5.158 -1.776 115 HB2 GLU 15 HB2 GLU 15 2.538 2.963 0.040 116 HB3 GLU 15 HB1 GLU 15 3.846 2.564 -1.072 117 HG2 GLU 15 HG2 GLU 15 3.761 5.149 0.497 118 HG3 GLU 15 HG1 GLU 15 4.564 3.696 1.089 119 H ILE 16 HN ILE 16 1.625 1.974 -2.301 120 HA ILE 16 HA ILE 16 3.067 1.582 -4.770 121 HB ILE 16 HB ILE 16 0.780 0.028 -3.536 122 HG12 ILE 16 HG12 ILE 16 3.708 -0.714 -3.656 123 HG13 ILE 16 HG11 ILE 16 3.042 0.213 -2.311 124 HG21 ILE 16 HG21 ILE 16 2.171 -0.148 -6.109 125 HG22 ILE 16 HG22 ILE 16 0.689 -0.944 -5.579 126 HG23 ILE 16 HG23 ILE 16 2.257 -1.648 -5.185 127 HD11 ILE 16 HD11 ILE 16 1.369 -1.582 -1.930 128 HD12 ILE 16 HD12 ILE 16 3.022 -2.174 -1.764 129 HD13 ILE 16 HD13 ILE 16 2.104 -2.519 -3.230 130 H ASP 17 HN ASP 17 1.868 3.923 -5.139 131 HA ASP 17 HA ASP 17 -0.442 3.334 -6.898 132 HB2 ASP 17 HB2 ASP 17 -0.083 5.329 -4.819 133 HB3 ASP 17 HB1 ASP 17 -0.471 6.071 -6.371 134 H LEU 18 HN LEU 18 2.771 4.110 -6.850 135 HA LEU 18 HA LEU 18 2.639 5.828 -9.228 136 HB2 LEU 18 HB2 LEU 18 5.296 5.173 -8.161 137 HB3 LEU 18 HB1 LEU 18 4.600 6.733 -8.589 138 HG LEU 18 HG LEU 18 4.019 5.186 -6.042 139 HD11 LEU 18 HD11 LEU 18 6.061 7.108 -6.794 140 HD12 LEU 18 HD12 LEU 18 5.900 6.170 -5.310 141 HD13 LEU 18 HD13 LEU 18 5.065 7.715 -5.473 142 HD21 LEU 18 HD21 LEU 18 2.673 7.393 -7.416 143 HD22 LEU 18 HD22 LEU 18 3.157 7.816 -5.773 144 HD23 LEU 18 HD23 LEU 18 2.118 6.419 -6.055 145 HA PRO 19 HA PRO 19 5.140 2.111 -10.787 146 HB2 PRO 19 HB2 PRO 19 5.302 -0.152 -9.296 147 HB3 PRO 19 HB1 PRO 19 6.406 1.218 -9.081 148 HG2 PRO 19 HG2 PRO 19 4.140 0.340 -7.408 149 HG3 PRO 19 HG1 PRO 19 5.624 1.191 -6.953 150 HD2 PRO 19 HD2 PRO 19 3.072 2.349 -7.325 151 HD3 PRO 19 HD1 PRO 19 4.605 3.217 -7.132 152 H VAL 20 HN VAL 20 2.029 2.124 -9.697 153 HA VAL 20 HA VAL 20 1.131 -0.437 -10.665 154 HB VAL 20 HB VAL 20 -1.123 0.492 -10.287 155 HG11 VAL 20 HG11 VAL 20 0.865 1.099 -8.077 156 HG12 VAL 20 HG12 VAL 20 0.127 -0.471 -8.396 157 HG13 VAL 20 HG13 VAL 20 -0.872 0.879 -7.857 158 HG21 VAL 20 HG21 VAL 20 0.466 3.027 -9.849 159 HG22 VAL 20 HG22 VAL 20 -1.162 2.819 -9.207 160 HG23 VAL 20 HG23 VAL 20 -0.889 2.771 -10.949 161 H LYS 21 HN LYS 21 2.663 1.249 -12.524 162 HA LYS 21 HA LYS 21 0.783 1.131 -14.759 163 HB2 LYS 21 HB2 LYS 21 0.721 3.478 -13.823 164 HB3 LYS 21 HB1 LYS 21 2.423 3.622 -14.266 165 HG2 LYS 21 HG2 LYS 21 1.872 3.143 -16.612 166 HG3 LYS 21 HG1 LYS 21 0.171 2.954 -16.184 167 HD2 LYS 21 HD2 LYS 21 -0.054 5.252 -15.621 168 HD3 LYS 21 HD1 LYS 21 1.693 5.493 -15.586 169 HE2 LYS 21 HE2 LYS 21 1.819 5.776 -17.836 170 HE3 LYS 21 HE1 LYS 21 0.676 4.471 -18.154 171 HZ1 LYS 21 HZ1 LYS 21 0.213 7.257 -18.093 172 HZ2 LYS 21 HZ2 LYS 21 -0.758 6.494 -16.926 173 HZ3 LYS 21 HZ3 LYS 21 -0.843 6.012 -18.553 174 H ARG 22 HN ARG 22 4.084 1.760 -13.636 175 HA ARG 22 HA ARG 22 5.176 0.987 -16.238 176 HB2 ARG 22 HB2 ARG 22 6.454 2.013 -13.698 177 HB3 ARG 22 HB1 ARG 22 7.372 1.530 -15.125 178 HG2 ARG 22 HG2 ARG 22 6.179 3.190 -16.483 179 HG3 ARG 22 HG1 ARG 22 5.207 3.653 -15.085 180 HD2 ARG 22 HD2 ARG 22 6.954 5.269 -15.210 181 HD3 ARG 22 HD1 ARG 22 7.405 4.179 -13.900 182 HE ARG 22 HE ARG 22 8.546 3.219 -16.291 183 HH11 ARG 22 HH11 ARG 22 10.741 3.631 -16.701 184 HH12 ARG 22 HH12 ARG 22 11.541 4.930 -15.881 185 HH21 ARG 22 HH21 ARG 22 8.726 5.890 -14.099 186 HH22 ARG 22 HH22 ARG 22 10.400 6.209 -14.407 187 H ARG 23 HN ARG 23 4.170 -1.218 -15.832 188 HA ARG 23 HA ARG 23 5.711 -2.893 -13.986 189 HB2 ARG 23 HB2 ARG 23 3.417 -3.685 -15.792 190 HB3 ARG 23 HB1 ARG 23 4.072 -4.604 -14.437 191 HG2 ARG 23 HG2 ARG 23 3.438 -2.712 -12.918 192 HG3 ARG 23 HG1 ARG 23 2.655 -1.928 -14.291 193 HD2 ARG 23 HD2 ARG 23 0.969 -3.151 -13.053 194 HD3 ARG 23 HD1 ARG 23 1.243 -3.977 -14.585 195 HE ARG 23 HE ARG 23 2.826 -4.965 -12.352 196 HH11 ARG 23 HH11 ARG 23 2.400 -7.117 -11.769 197 HH12 ARG 23 HH12 ARG 23 0.997 -7.918 -12.394 198 HH21 ARG 23 HH21 ARG 23 -0.074 -5.177 -14.229 199 HH22 ARG 23 HH22 ARG 23 -0.404 -6.819 -13.787 200 H ALA 24 HN ALA 24 5.716 -1.945 -17.247 201 HA ALA 24 HA ALA 24 6.945 -2.610 -19.068 202 HB1 ALA 24 HB1 ALA 24 9.099 -3.290 -18.647 203 HB2 ALA 24 HB2 ALA 24 8.606 -4.453 -17.418 204 HB3 ALA 24 HB3 ALA 24 8.661 -2.733 -17.032 Start of MODEL 3 1 H MET 1 HN MET 1 3.055 -8.664 -5.377 2 HA MET 1 HA MET 1 5.473 -9.426 -6.015 3 HB2 MET 1 HB2 MET 1 5.720 -6.460 -5.476 4 HB3 MET 1 HB1 MET 1 7.091 -7.570 -5.506 5 HG2 MET 1 HG2 MET 1 7.039 -7.774 -7.776 6 HG3 MET 1 HG1 MET 1 5.277 -7.758 -7.835 7 HE1 MET 1 HE1 MET 1 4.407 -5.951 -9.458 8 HE2 MET 1 HE2 MET 1 4.197 -4.411 -8.631 9 HE3 MET 1 HE3 MET 1 3.816 -5.911 -7.790 10 H ALA 2 HN ALA 2 3.396 -9.401 -3.895 11 HA ALA 2 HA ALA 2 5.155 -9.974 -1.674 12 HB1 ALA 2 HB1 ALA 2 3.923 -7.401 -1.849 13 HB2 ALA 2 HB2 ALA 2 4.917 -8.054 -0.547 14 HB3 ALA 2 HB3 ALA 2 3.168 -8.292 -0.528 15 HA PRO 3 HA PRO 3 1.934 -12.813 -0.722 16 HB2 PRO 3 HB2 PRO 3 1.979 -12.912 2.015 17 HB3 PRO 3 HB1 PRO 3 3.242 -13.622 0.994 18 HG2 PRO 3 HG2 PRO 3 3.237 -11.041 2.475 19 HG3 PRO 3 HG1 PRO 3 4.544 -12.217 2.257 20 HD2 PRO 3 HD2 PRO 3 4.370 -9.899 0.808 21 HD3 PRO 3 HD1 PRO 3 5.140 -11.377 0.190 22 H ARG 4 HN ARG 4 1.065 -10.069 -1.125 23 HA ARG 4 HA ARG 4 -0.759 -8.704 -0.806 24 HB2 ARG 4 HB2 ARG 4 -1.837 -10.878 -1.487 25 HB3 ARG 4 HB1 ARG 4 -2.075 -11.223 0.226 26 HG2 ARG 4 HG2 ARG 4 -3.451 -9.254 0.502 27 HG3 ARG 4 HG1 ARG 4 -3.080 -8.708 -1.133 28 HD2 ARG 4 HD2 ARG 4 -5.249 -9.722 -1.230 29 HD3 ARG 4 HD1 ARG 4 -4.130 -10.858 -1.975 30 HE ARG 4 HE ARG 4 -5.511 -11.191 0.578 31 HH11 ARG 4 HH11 ARG 4 -5.359 -13.276 1.457 32 HH12 ARG 4 HH12 ARG 4 -4.234 -14.413 0.792 33 HH21 ARG 4 HH21 ARG 4 -3.037 -12.229 -1.618 34 HH22 ARG 4 HH22 ARG 4 -2.922 -13.820 -0.947 35 H GLY 5 HN GLY 5 0.687 -7.863 1.023 36 HA2 GLY 5 HA2 GLY 5 -0.965 -7.445 3.331 37 HA3 GLY 5 HA1 GLY 5 0.435 -8.451 3.696 38 H PHE 6 HN PHE 6 2.572 -7.567 3.222 39 HA PHE 6 HA PHE 6 3.098 -5.119 4.330 40 HB2 PHE 6 HB2 PHE 6 4.575 -7.081 2.876 41 HB3 PHE 6 HB1 PHE 6 5.013 -5.490 2.253 42 HD1 PHE 6 HD1 PHE 6 5.721 -3.680 3.887 43 HD2 PHE 6 HD2 PHE 6 5.304 -7.803 5.020 44 HE1 PHE 6 HE1 PHE 6 7.095 -3.264 5.910 45 HE2 PHE 6 HE2 PHE 6 6.678 -7.386 7.042 46 HZ PHE 6 HZ PHE 6 7.573 -5.116 7.487 47 H SER 7 HN SER 7 2.577 -5.815 0.882 48 HA SER 7 HA SER 7 2.739 -2.991 0.201 49 HB2 SER 7 HB2 SER 7 2.578 -5.553 -1.290 50 HB3 SER 7 HB1 SER 7 1.886 -4.136 -2.074 51 HG SER 7 HG SER 7 4.378 -3.883 -0.839 52 H CYS 8 HN CYS 8 0.373 -5.165 1.274 53 HA CYS 8 HA CYS 8 -1.885 -4.041 -0.107 54 HB2 CYS 8 HB2 CYS 8 -3.051 -5.720 0.861 55 HB3 CYS 8 HB1 CYS 8 -1.465 -6.343 1.318 56 HG CYS 8 HG CYS 8 -3.452 -5.618 3.308 57 H LEU 9 HN LEU 9 -0.401 -3.618 3.083 58 HA LEU 9 HA LEU 9 -2.396 -1.743 3.979 59 HB2 LEU 9 HB2 LEU 9 -0.957 -1.452 5.919 60 HB3 LEU 9 HB1 LEU 9 -1.091 -3.170 5.543 61 HG LEU 9 HG LEU 9 1.070 -2.377 4.010 62 HD11 LEU 9 HD11 LEU 9 1.305 -1.059 6.731 63 HD12 LEU 9 HD12 LEU 9 1.008 -0.179 5.232 64 HD13 LEU 9 HD13 LEU 9 2.517 -1.065 5.449 65 HD21 LEU 9 HD21 LEU 9 2.395 -3.503 5.881 66 HD22 LEU 9 HD22 LEU 9 1.043 -4.436 5.239 67 HD23 LEU 9 HD23 LEU 9 0.879 -3.591 6.779 68 H LEU 10 HN LEU 10 0.454 -1.577 2.069 69 HA LEU 10 HA LEU 10 0.917 1.252 2.570 70 HB2 LEU 10 HB2 LEU 10 2.174 -0.738 0.671 71 HB3 LEU 10 HB1 LEU 10 2.645 0.958 0.747 72 HG LEU 10 HG LEU 10 2.696 -0.948 3.110 73 HD11 LEU 10 HD11 LEU 10 4.545 -1.765 2.088 74 HD12 LEU 10 HD12 LEU 10 5.299 -0.240 2.553 75 HD13 LEU 10 HD13 LEU 10 4.609 -0.427 0.941 76 HD21 LEU 10 HD21 LEU 10 4.416 1.120 3.654 77 HD22 LEU 10 HD22 LEU 10 2.747 1.045 4.217 78 HD23 LEU 10 HD23 LEU 10 3.145 1.957 2.763 79 H LEU 11 HN LEU 11 -1.060 -0.659 0.580 80 HA LEU 11 HA LEU 11 -1.200 1.144 -1.667 81 HB2 LEU 11 HB2 LEU 11 -1.693 -1.337 -1.758 82 HB3 LEU 11 HB1 LEU 11 -3.192 -0.995 -0.894 83 HG LEU 11 HG LEU 11 -3.139 0.889 -2.960 84 HD11 LEU 11 HD11 LEU 11 -2.796 -0.473 -4.983 85 HD12 LEU 11 HD12 LEU 11 -2.331 -1.850 -3.984 86 HD13 LEU 11 HD13 LEU 11 -1.318 -0.407 -4.024 87 HD21 LEU 11 HD21 LEU 11 -4.533 -1.801 -2.776 88 HD22 LEU 11 HD22 LEU 11 -5.009 -0.490 -3.855 89 HD23 LEU 11 HD23 LEU 11 -5.122 -0.279 -2.107 90 H LEU 12 HN LEU 12 -2.806 0.782 1.399 91 HA LEU 12 HA LEU 12 -5.120 2.343 0.770 92 HB2 LEU 12 HB2 LEU 12 -3.839 1.382 3.313 93 HB3 LEU 12 HB1 LEU 12 -5.170 2.540 3.364 94 HG LEU 12 HG LEU 12 -5.544 0.184 1.591 95 HD11 LEU 12 HD11 LEU 12 -6.301 -1.174 3.581 96 HD12 LEU 12 HD12 LEU 12 -5.514 0.016 4.617 97 HD13 LEU 12 HD13 LEU 12 -4.555 -0.941 3.489 98 HD21 LEU 12 HD21 LEU 12 -7.224 2.029 2.004 99 HD22 LEU 12 HD22 LEU 12 -7.335 1.471 3.673 100 HD23 LEU 12 HD23 LEU 12 -7.829 0.410 2.353 101 H THR 13 HN THR 13 -1.850 3.093 1.458 102 HA THR 13 HA THR 13 -2.475 5.836 2.289 103 HB THR 13 HB THR 13 -0.265 6.006 3.014 104 HG1 THR 13 HG1 THR 13 0.413 5.127 0.831 105 HG21 THR 13 HG21 THR 13 0.209 3.977 4.260 106 HG22 THR 13 HG22 THR 13 -0.796 3.027 3.165 107 HG23 THR 13 HG23 THR 13 -1.537 4.223 4.229 108 H DSN 14 HN DSE 14 -1.451 4.003 -0.462 109 HA DSN 14 HA DSE 14 -1.319 6.490 -2.034 110 HB2 DSN 14 HB1 DSE 14 -1.450 3.737 -3.223 111 HB3 DSN 14 HB2 DSE 14 -2.039 5.261 -3.882 112 HG DSN 14 HG DSE 14 -3.875 4.724 -3.063 113 H GLU 15 HN GLU 15 0.664 4.130 -0.673 114 HA GLU 15 HA GLU 15 3.031 5.215 -1.801 115 HB2 GLU 15 HB2 GLU 15 2.323 3.210 0.182 116 HB3 GLU 15 HB1 GLU 15 3.705 2.706 -0.792 117 HG2 GLU 15 HG2 GLU 15 3.488 5.440 0.489 118 HG3 GLU 15 HG1 GLU 15 4.293 4.073 1.259 119 H ILE 16 HN ILE 16 1.889 1.837 -2.045 120 HA ILE 16 HA ILE 16 3.441 1.408 -4.439 121 HB ILE 16 HB ILE 16 1.292 -0.407 -3.349 122 HG12 ILE 16 HG12 ILE 16 2.674 0.129 -1.449 123 HG13 ILE 16 HG11 ILE 16 3.193 -1.451 -2.037 124 HG21 ILE 16 HG21 ILE 16 2.167 -1.951 -4.757 125 HG22 ILE 16 HG22 ILE 16 3.824 -1.493 -4.366 126 HG23 ILE 16 HG23 ILE 16 2.919 -0.581 -5.572 127 HD11 ILE 16 HD11 ILE 16 5.214 -0.264 -1.695 128 HD12 ILE 16 HD12 ILE 16 4.560 1.218 -2.389 129 HD13 ILE 16 HD13 ILE 16 4.938 -0.152 -3.432 130 H ASP 17 HN ASP 17 2.030 3.459 -5.203 131 HA ASP 17 HA ASP 17 -0.091 2.338 -6.934 132 HB2 ASP 17 HB2 ASP 17 -1.434 3.594 -5.563 133 HB3 ASP 17 HB1 ASP 17 -0.147 4.726 -5.156 134 H LEU 18 HN LEU 18 2.807 4.063 -6.643 135 HA LEU 18 HA LEU 18 2.500 5.328 -9.277 136 HB2 LEU 18 HB2 LEU 18 5.021 5.771 -7.831 137 HB3 LEU 18 HB1 LEU 18 3.938 6.927 -8.599 138 HG LEU 18 HG LEU 18 3.478 5.616 -5.900 139 HD11 LEU 18 HD11 LEU 18 5.142 7.229 -5.554 140 HD12 LEU 18 HD12 LEU 18 3.655 8.120 -5.235 141 HD13 LEU 18 HD13 LEU 18 4.483 8.311 -6.781 142 HD21 LEU 18 HD21 LEU 18 1.795 7.805 -6.175 143 HD22 LEU 18 HD22 LEU 18 1.313 6.118 -6.350 144 HD23 LEU 18 HD23 LEU 18 1.747 7.064 -7.774 145 HA PRO 19 HA PRO 19 6.288 2.543 -9.899 146 HB2 PRO 19 HB2 PRO 19 6.964 0.705 -8.024 147 HB3 PRO 19 HB1 PRO 19 7.490 2.397 -7.935 148 HG2 PRO 19 HG2 PRO 19 5.413 0.983 -6.386 149 HG3 PRO 19 HG1 PRO 19 6.431 2.358 -5.930 150 HD2 PRO 19 HD2 PRO 19 3.732 2.468 -6.775 151 HD3 PRO 19 HD1 PRO 19 4.830 3.844 -6.564 152 H VAL 20 HN VAL 20 3.230 1.750 -9.533 153 HA VAL 20 HA VAL 20 3.501 -1.106 -10.205 154 HB VAL 20 HB VAL 20 0.909 -0.939 -9.966 155 HG11 VAL 20 HG11 VAL 20 3.042 -0.967 -7.885 156 HG12 VAL 20 HG12 VAL 20 1.860 -2.208 -8.298 157 HG13 VAL 20 HG13 VAL 20 1.377 -0.817 -7.327 158 HG21 VAL 20 HG21 VAL 20 1.640 1.382 -8.197 159 HG22 VAL 20 HG22 VAL 20 0.048 0.895 -8.778 160 HG23 VAL 20 HG23 VAL 20 1.194 1.660 -9.880 161 H LYS 21 HN LYS 21 4.153 1.118 -12.032 162 HA LYS 21 HA LYS 21 2.513 0.226 -14.277 163 HB2 LYS 21 HB2 LYS 21 1.818 2.571 -13.014 164 HB3 LYS 21 HB1 LYS 21 2.876 3.134 -14.308 165 HG2 LYS 21 HG2 LYS 21 1.545 1.831 -15.944 166 HG3 LYS 21 HG1 LYS 21 0.465 1.325 -14.645 167 HD2 LYS 21 HD2 LYS 21 -0.078 3.701 -14.189 168 HD3 LYS 21 HD1 LYS 21 0.964 4.184 -15.527 169 HE2 LYS 21 HE2 LYS 21 -1.167 4.129 -16.519 170 HE3 LYS 21 HE1 LYS 21 -0.493 2.556 -16.946 171 HZ1 LYS 21 HZ1 LYS 21 -1.740 2.430 -14.413 172 HZ2 LYS 21 HZ2 LYS 21 -2.094 1.551 -15.823 173 HZ3 LYS 21 HZ3 LYS 21 -2.829 3.059 -15.552 174 H ARG 22 HN ARG 22 3.570 0.324 -16.235 175 HA ARG 22 HA ARG 22 6.431 1.010 -16.081 176 HB2 ARG 22 HB2 ARG 22 4.817 -0.870 -17.773 177 HB3 ARG 22 HB1 ARG 22 6.372 -0.279 -18.360 178 HG2 ARG 22 HG2 ARG 22 7.568 -1.364 -16.705 179 HG3 ARG 22 HG1 ARG 22 6.231 -1.306 -15.556 180 HD2 ARG 22 HD2 ARG 22 5.030 -3.018 -16.844 181 HD3 ARG 22 HD1 ARG 22 6.334 -3.060 -18.026 182 HE ARG 22 HE ARG 22 7.587 -3.596 -15.655 183 HH11 ARG 22 HH11 ARG 22 7.846 -5.700 -14.841 184 HH12 ARG 22 HH12 ARG 22 6.737 -6.945 -15.308 185 HH21 ARG 22 HH21 ARG 22 4.848 -4.869 -17.342 186 HH22 ARG 22 HH22 ARG 22 5.040 -6.475 -16.726 187 H ARG 23 HN ARG 23 7.219 1.555 -18.501 188 HA ARG 23 HA ARG 23 5.420 3.566 -19.673 189 HB2 ARG 23 HB2 ARG 23 7.424 5.116 -19.840 190 HB3 ARG 23 HB1 ARG 23 6.757 4.906 -18.220 191 HG2 ARG 23 HG2 ARG 23 8.845 2.953 -18.997 192 HG3 ARG 23 HG1 ARG 23 9.398 4.617 -18.800 193 HD2 ARG 23 HD2 ARG 23 8.549 4.718 -16.553 194 HD3 ARG 23 HD1 ARG 23 7.710 3.181 -16.740 195 HE ARG 23 HE ARG 23 10.594 3.058 -17.101 196 HH11 ARG 23 HH11 ARG 23 11.687 1.782 -15.573 197 HH12 ARG 23 HH12 ARG 23 10.865 1.261 -14.140 198 HH21 ARG 23 HH21 ARG 23 7.882 2.825 -14.964 199 HH22 ARG 23 HH22 ARG 23 8.710 1.852 -13.796 200 H ALA 24 HN ALA 24 7.625 1.047 -20.011 201 HA ALA 24 HA ALA 24 7.693 1.454 -22.923 202 HB1 ALA 24 HB1 ALA 24 10.113 0.738 -21.249 203 HB2 ALA 24 HB2 ALA 24 9.849 2.277 -22.070 204 HB3 ALA 24 HB3 ALA 24 10.061 0.800 -23.011 Start of MODEL 4 1 H MET 1 HN MET 1 7.787 -11.077 -2.038 2 HA MET 1 HA MET 1 7.213 -9.194 -4.231 3 HB2 MET 1 HB2 MET 1 8.202 -11.378 -4.836 4 HB3 MET 1 HB1 MET 1 6.821 -12.194 -4.103 5 HG2 MET 1 HG2 MET 1 5.901 -10.151 -5.925 6 HG3 MET 1 HG1 MET 1 7.023 -11.232 -6.750 7 HE1 MET 1 HE1 MET 1 3.486 -11.888 -7.722 8 HE2 MET 1 HE2 MET 1 4.776 -12.930 -8.316 9 HE3 MET 1 HE3 MET 1 5.081 -11.211 -8.079 10 H ALA 2 HN ALA 2 5.703 -8.164 -2.577 11 HA ALA 2 HA ALA 2 3.599 -7.859 -1.659 12 HB1 ALA 2 HB1 ALA 2 1.802 -8.116 -3.333 13 HB2 ALA 2 HB2 ALA 2 2.921 -8.994 -4.376 14 HB3 ALA 2 HB3 ALA 2 3.217 -7.298 -3.994 15 HA PRO 3 HA PRO 3 2.863 -12.277 -0.552 16 HB2 PRO 3 HB2 PRO 3 3.625 -12.151 2.044 17 HB3 PRO 3 HB1 PRO 3 4.793 -12.359 0.726 18 HG2 PRO 3 HG2 PRO 3 4.161 -9.950 2.328 19 HG3 PRO 3 HG1 PRO 3 5.696 -10.465 1.611 20 HD2 PRO 3 HD2 PRO 3 3.936 -8.535 0.542 21 HD3 PRO 3 HD1 PRO 3 5.288 -9.302 -0.317 22 H ARG 4 HN ARG 4 1.021 -10.022 -0.698 23 HA ARG 4 HA ARG 4 -1.033 -9.346 0.080 24 HB2 ARG 4 HB2 ARG 4 -0.807 -12.220 0.660 25 HB3 ARG 4 HB1 ARG 4 -2.002 -11.376 1.645 26 HG2 ARG 4 HG2 ARG 4 -3.050 -10.457 -0.378 27 HG3 ARG 4 HG1 ARG 4 -1.836 -11.252 -1.380 28 HD2 ARG 4 HD2 ARG 4 -3.121 -13.094 -1.419 29 HD3 ARG 4 HD1 ARG 4 -2.902 -13.248 0.322 30 HE ARG 4 HE ARG 4 -4.933 -11.336 -0.268 31 HH11 ARG 4 HH11 ARG 4 -7.087 -11.959 0.094 32 HH12 ARG 4 HH12 ARG 4 -7.485 -13.638 0.233 33 HH21 ARG 4 HH21 ARG 4 -4.222 -14.721 -0.220 34 HH22 ARG 4 HH22 ARG 4 -5.863 -15.202 0.056 35 H GLY 5 HN GLY 5 -0.208 -7.677 1.407 36 HA2 GLY 5 HA2 GLY 5 -1.090 -7.238 3.855 37 HA3 GLY 5 HA1 GLY 5 0.276 -8.284 4.233 38 H PHE 6 HN PHE 6 2.419 -7.587 3.514 39 HA PHE 6 HA PHE 6 3.139 -5.061 4.319 40 HB2 PHE 6 HB2 PHE 6 4.431 -7.270 3.090 41 HB3 PHE 6 HB1 PHE 6 4.894 -5.826 2.189 42 HD1 PHE 6 HD1 PHE 6 6.330 -4.175 3.139 43 HD2 PHE 6 HD2 PHE 6 4.749 -7.328 5.589 44 HE1 PHE 6 HE1 PHE 6 7.865 -3.518 4.974 45 HE2 PHE 6 HE2 PHE 6 6.282 -6.671 7.424 46 HZ PHE 6 HZ PHE 6 7.840 -4.766 7.117 47 H SER 7 HN SER 7 2.521 -6.123 0.974 48 HA SER 7 HA SER 7 2.727 -3.398 -0.015 49 HB2 SER 7 HB2 SER 7 3.570 -5.159 -1.438 50 HB3 SER 7 HB1 SER 7 2.030 -6.013 -1.368 51 HG SER 7 HG SER 7 1.110 -4.465 -2.597 52 H CYS 8 HN CYS 8 0.400 -5.063 1.602 53 HA CYS 8 HA CYS 8 -1.890 -4.115 0.066 54 HB2 CYS 8 HB2 CYS 8 -1.722 -6.345 1.386 55 HB3 CYS 8 HB1 CYS 8 -2.038 -5.347 2.805 56 HG CYS 8 HG CYS 8 -4.077 -6.042 0.626 57 H LEU 9 HN LEU 9 -0.287 -3.461 3.160 58 HA LEU 9 HA LEU 9 -2.171 -1.448 3.963 59 HB2 LEU 9 HB2 LEU 9 -0.577 -0.980 5.759 60 HB3 LEU 9 HB1 LEU 9 -0.816 -2.720 5.594 61 HG LEU 9 HG LEU 9 1.264 -2.208 3.837 62 HD11 LEU 9 HD11 LEU 9 1.822 -0.685 6.393 63 HD12 LEU 9 HD12 LEU 9 1.341 0.108 4.892 64 HD13 LEU 9 HD13 LEU 9 2.849 -0.804 4.964 65 HD21 LEU 9 HD21 LEU 9 2.664 -3.225 5.704 66 HD22 LEU 9 HD22 LEU 9 1.210 -4.129 5.282 67 HD23 LEU 9 HD23 LEU 9 1.231 -3.118 6.727 68 H LEU 10 HN LEU 10 0.607 -1.529 1.920 69 HA LEU 10 HA LEU 10 1.178 1.303 2.103 70 HB2 LEU 10 HB2 LEU 10 2.131 -0.843 0.194 71 HB3 LEU 10 HB1 LEU 10 2.713 0.819 0.184 72 HG LEU 10 HG LEU 10 2.862 -1.039 2.578 73 HD11 LEU 10 HD11 LEU 10 5.346 -0.973 2.040 74 HD12 LEU 10 HD12 LEU 10 4.905 -0.279 0.479 75 HD13 LEU 10 HD13 LEU 10 4.354 -1.898 0.912 76 HD21 LEU 10 HD21 LEU 10 3.603 1.815 2.065 77 HD22 LEU 10 HD22 LEU 10 4.694 0.857 3.063 78 HD23 LEU 10 HD23 LEU 10 3.010 1.056 3.542 79 H LEU 11 HN LEU 11 -0.974 -0.717 0.353 80 HA LEU 11 HA LEU 11 -1.323 1.076 -1.890 81 HB2 LEU 11 HB2 LEU 11 -1.694 -1.467 -1.885 82 HB3 LEU 11 HB1 LEU 11 -3.219 -1.119 -1.070 83 HG LEU 11 HG LEU 11 -3.387 0.668 -3.080 84 HD11 LEU 11 HD11 LEU 11 -2.517 -0.289 -5.141 85 HD12 LEU 11 HD12 LEU 11 -1.900 -1.692 -4.269 86 HD13 LEU 11 HD13 LEU 11 -1.186 -0.103 -4.000 87 HD21 LEU 11 HD21 LEU 11 -4.086 -2.282 -3.162 88 HD22 LEU 11 HD22 LEU 11 -4.726 -1.089 -4.291 89 HD23 LEU 11 HD23 LEU 11 -5.105 -0.970 -2.573 90 H LEU 12 HN LEU 12 -2.711 0.615 1.266 91 HA LEU 12 HA LEU 12 -5.121 2.103 0.751 92 HB2 LEU 12 HB2 LEU 12 -3.773 1.032 3.215 93 HB3 LEU 12 HB1 LEU 12 -5.138 2.141 3.348 94 HG LEU 12 HG LEU 12 -5.459 -0.125 1.450 95 HD11 LEU 12 HD11 LEU 12 -4.463 -1.380 3.219 96 HD12 LEU 12 HD12 LEU 12 -6.203 -1.559 3.436 97 HD13 LEU 12 HD13 LEU 12 -5.298 -0.438 4.454 98 HD21 LEU 12 HD21 LEU 12 -7.165 1.694 2.053 99 HD22 LEU 12 HD22 LEU 12 -7.300 0.900 3.621 100 HD23 LEU 12 HD23 LEU 12 -7.736 0.028 2.151 101 H THR 13 HN THR 13 -1.860 2.898 1.416 102 HA THR 13 HA THR 13 -2.548 5.575 2.409 103 HB THR 13 HB THR 13 -0.048 5.784 2.667 104 HG1 THR 13 HG1 THR 13 0.346 4.100 1.072 105 HG21 THR 13 HG21 THR 13 -1.353 5.184 4.594 106 HG22 THR 13 HG22 THR 13 0.042 4.107 4.563 107 HG23 THR 13 HG23 THR 13 -1.533 3.524 4.025 108 H DSN 14 HN DSE 14 -1.469 3.912 -0.431 109 HA DSN 14 HA DSE 14 -1.405 6.481 -1.871 110 HB2 DSN 14 HB1 DSE 14 -1.430 3.806 -3.224 111 HB3 DSN 14 HB2 DSE 14 -2.097 5.339 -3.776 112 HG DSN 14 HG DSE 14 -3.705 5.177 -2.216 113 H GLU 15 HN GLU 15 0.634 4.062 -0.661 114 HA GLU 15 HA GLU 15 2.980 5.293 -1.686 115 HB2 GLU 15 HB2 GLU 15 2.314 3.131 0.140 116 HB3 GLU 15 HB1 GLU 15 3.713 2.736 -0.858 117 HG2 GLU 15 HG2 GLU 15 3.419 5.363 0.618 118 HG3 GLU 15 HG1 GLU 15 4.252 3.965 1.293 119 H ILE 16 HN ILE 16 1.917 1.919 -2.181 120 HA ILE 16 HA ILE 16 3.496 1.692 -4.583 121 HB ILE 16 HB ILE 16 1.443 -0.182 -3.387 122 HG12 ILE 16 HG12 ILE 16 4.471 -0.293 -3.292 123 HG13 ILE 16 HG11 ILE 16 3.481 0.363 -1.987 124 HG21 ILE 16 HG21 ILE 16 1.646 -1.255 -5.365 125 HG22 ILE 16 HG22 ILE 16 3.306 -1.613 -4.890 126 HG23 ILE 16 HG23 ILE 16 2.959 -0.197 -5.882 127 HD11 ILE 16 HD11 ILE 16 3.438 -2.464 -3.066 128 HD12 ILE 16 HD12 ILE 16 2.246 -1.833 -1.931 129 HD13 ILE 16 HD13 ILE 16 3.941 -1.946 -1.457 130 H ASP 17 HN ASP 17 2.034 3.762 -5.181 131 HA ASP 17 HA ASP 17 -0.037 2.737 -7.028 132 HB2 ASP 17 HB2 ASP 17 -1.423 3.848 -5.571 133 HB3 ASP 17 HB1 ASP 17 -0.169 4.976 -5.064 134 H LEU 18 HN LEU 18 2.793 4.555 -6.536 135 HA LEU 18 HA LEU 18 2.483 6.034 -9.047 136 HB2 LEU 18 HB2 LEU 18 5.023 6.319 -7.593 137 HB3 LEU 18 HB1 LEU 18 3.935 7.551 -8.225 138 HG LEU 18 HG LEU 18 3.508 5.971 -5.668 139 HD11 LEU 18 HD11 LEU 18 4.464 8.760 -6.279 140 HD12 LEU 18 HD12 LEU 18 5.182 7.557 -5.206 141 HD13 LEU 18 HD13 LEU 18 3.692 8.376 -4.740 142 HD21 LEU 18 HD21 LEU 18 1.336 6.506 -6.026 143 HD22 LEU 18 HD22 LEU 18 1.744 7.572 -7.370 144 HD23 LEU 18 HD23 LEU 18 1.815 8.175 -5.715 145 HA PRO 19 HA PRO 19 6.226 3.289 -10.010 146 HB2 PRO 19 HB2 PRO 19 6.937 1.290 -8.327 147 HB3 PRO 19 HB1 PRO 19 7.466 2.965 -8.087 148 HG2 PRO 19 HG2 PRO 19 5.415 1.409 -6.643 149 HG3 PRO 19 HG1 PRO 19 6.447 2.729 -6.074 150 HD2 PRO 19 HD2 PRO 19 3.733 2.931 -6.856 151 HD3 PRO 19 HD1 PRO 19 4.842 4.276 -6.531 152 H VAL 20 HN VAL 20 3.175 2.509 -9.657 153 HA VAL 20 HA VAL 20 3.375 -0.294 -10.537 154 HB VAL 20 HB VAL 20 0.945 1.326 -9.732 155 HG11 VAL 20 HG11 VAL 20 0.474 -1.434 -9.503 156 HG12 VAL 20 HG12 VAL 20 1.292 -1.237 -11.054 157 HG13 VAL 20 HG13 VAL 20 -0.195 -0.349 -10.722 158 HG21 VAL 20 HG21 VAL 20 2.830 -0.492 -8.262 159 HG22 VAL 20 HG22 VAL 20 1.129 -0.465 -7.798 160 HG23 VAL 20 HG23 VAL 20 2.086 1.014 -7.722 161 H LYS 21 HN LYS 21 4.235 1.725 -12.323 162 HA LYS 21 HA LYS 21 2.677 1.057 -14.623 163 HB2 LYS 21 HB2 LYS 21 1.466 3.035 -13.322 164 HB3 LYS 21 HB1 LYS 21 2.678 4.004 -14.160 165 HG2 LYS 21 HG2 LYS 21 1.980 2.881 -16.307 166 HG3 LYS 21 HG1 LYS 21 0.653 2.133 -15.416 167 HD2 LYS 21 HD2 LYS 21 -0.523 3.997 -15.934 168 HD3 LYS 21 HD1 LYS 21 0.443 4.791 -14.689 169 HE2 LYS 21 HE2 LYS 21 2.182 5.229 -16.507 170 HE3 LYS 21 HE1 LYS 21 0.953 4.729 -17.670 171 HZ1 LYS 21 HZ1 LYS 21 -0.389 6.514 -17.153 172 HZ2 LYS 21 HZ2 LYS 21 1.160 7.204 -17.058 173 HZ3 LYS 21 HZ3 LYS 21 0.332 6.770 -15.639 174 H ARG 22 HN ARG 22 5.144 3.029 -13.096 175 HA ARG 22 HA ARG 22 6.443 3.948 -15.433 176 HB2 ARG 22 HB2 ARG 22 7.503 3.423 -12.647 177 HB3 ARG 22 HB1 ARG 22 8.416 4.239 -13.917 178 HG2 ARG 22 HG2 ARG 22 6.597 5.931 -14.097 179 HG3 ARG 22 HG1 ARG 22 5.766 5.145 -12.754 180 HD2 ARG 22 HD2 ARG 22 6.940 6.677 -11.524 181 HD3 ARG 22 HD1 ARG 22 8.200 5.451 -11.637 182 HE ARG 22 HE ARG 22 8.271 7.267 -13.858 183 HH11 ARG 22 HH11 ARG 22 10.008 8.730 -13.912 184 HH12 ARG 22 HH12 ARG 22 10.935 9.019 -12.478 185 HH21 ARG 22 HH21 ARG 22 9.091 6.828 -10.524 186 HH22 ARG 22 HH22 ARG 22 10.415 7.942 -10.560 187 H ARG 23 HN ARG 23 7.066 1.118 -13.359 188 HA ARG 23 HA ARG 23 8.343 -0.196 -15.663 189 HB2 ARG 23 HB2 ARG 23 9.529 0.206 -12.924 190 HB3 ARG 23 HB1 ARG 23 10.026 -1.139 -13.952 191 HG2 ARG 23 HG2 ARG 23 10.854 0.306 -15.637 192 HG3 ARG 23 HG1 ARG 23 9.997 1.700 -14.977 193 HD2 ARG 23 HD2 ARG 23 12.131 0.251 -13.409 194 HD3 ARG 23 HD1 ARG 23 12.521 1.569 -14.510 195 HE ARG 23 HE ARG 23 10.446 2.226 -12.604 196 HH11 ARG 23 HH11 ARG 23 10.998 3.805 -11.068 197 HH12 ARG 23 HH12 ARG 23 12.659 4.244 -10.844 198 HH21 ARG 23 HH21 ARG 23 13.840 2.040 -13.247 199 HH22 ARG 23 HH22 ARG 23 14.269 3.244 -12.078 200 H ALA 24 HN ALA 24 8.007 -1.068 -12.233 201 HA ALA 24 HA ALA 24 5.780 -2.795 -12.590 202 HB1 ALA 24 HB1 ALA 24 7.935 -4.620 -11.960 203 HB2 ALA 24 HB2 ALA 24 8.194 -3.868 -13.534 204 HB3 ALA 24 HB3 ALA 24 6.698 -4.744 -13.212 Start of MODEL 5 1 H MET 1 HN MET 1 3.973 -9.423 -9.476 2 HA MET 1 HA MET 1 3.393 -7.228 -8.925 3 HB2 MET 1 HB2 MET 1 0.794 -8.745 -8.597 4 HB3 MET 1 HB1 MET 1 0.920 -6.993 -8.763 5 HG2 MET 1 HG2 MET 1 1.845 -7.184 -10.969 6 HG3 MET 1 HG1 MET 1 2.066 -8.924 -10.793 7 HE1 MET 1 HE1 MET 1 0.776 -10.241 -12.272 8 HE2 MET 1 HE2 MET 1 -0.947 -10.494 -12.006 9 HE3 MET 1 HE3 MET 1 0.178 -10.665 -10.661 10 H ALA 2 HN ALA 2 4.744 -7.853 -6.821 11 HA ALA 2 HA ALA 2 5.031 -7.529 -4.567 12 HB1 ALA 2 HB1 ALA 2 3.150 -5.550 -5.492 13 HB2 ALA 2 HB2 ALA 2 4.376 -5.412 -4.231 14 HB3 ALA 2 HB3 ALA 2 2.768 -6.016 -3.834 15 HA PRO 3 HA PRO 3 2.604 -10.470 -2.378 16 HB2 PRO 3 HB2 PRO 3 2.651 -9.519 0.195 17 HB3 PRO 3 HB1 PRO 3 4.039 -10.293 -0.593 18 HG2 PRO 3 HG2 PRO 3 3.481 -7.406 -0.148 19 HG3 PRO 3 HG1 PRO 3 5.015 -8.290 -0.063 20 HD2 PRO 3 HD2 PRO 3 4.297 -6.747 -2.211 21 HD3 PRO 3 HD1 PRO 3 5.377 -8.153 -2.339 22 H ARG 4 HN ARG 4 0.896 -10.304 -0.263 23 HA ARG 4 HA ARG 4 -1.224 -8.440 -1.156 24 HB2 ARG 4 HB2 ARG 4 -1.419 -11.337 -0.329 25 HB3 ARG 4 HB1 ARG 4 -2.818 -10.263 -0.376 26 HG2 ARG 4 HG2 ARG 4 -2.822 -10.139 -2.670 27 HG3 ARG 4 HG1 ARG 4 -1.069 -10.301 -2.786 28 HD2 ARG 4 HD2 ARG 4 -2.879 -12.575 -1.950 29 HD3 ARG 4 HD1 ARG 4 -2.401 -12.298 -3.622 30 HE ARG 4 HE ARG 4 -0.016 -12.354 -2.348 31 HH11 ARG 4 HH11 ARG 4 1.161 -14.243 -1.897 32 HH12 ARG 4 HH12 ARG 4 0.330 -15.751 -1.711 33 HH21 ARG 4 HH21 ARG 4 -2.812 -14.391 -2.262 34 HH22 ARG 4 HH22 ARG 4 -1.919 -15.835 -1.917 35 H GLY 5 HN GLY 5 0.738 -7.984 0.912 36 HA2 GLY 5 HA2 GLY 5 -1.097 -7.436 3.110 37 HA3 GLY 5 HA1 GLY 5 0.267 -8.482 3.493 38 H PHE 6 HN PHE 6 2.439 -7.630 3.115 39 HA PHE 6 HA PHE 6 2.958 -5.214 4.317 40 HB2 PHE 6 HB2 PHE 6 4.464 -7.176 2.864 41 HB3 PHE 6 HB1 PHE 6 4.992 -5.564 2.378 42 HD1 PHE 6 HD1 PHE 6 5.462 -3.852 4.267 43 HD2 PHE 6 HD2 PHE 6 5.185 -8.090 4.907 44 HE1 PHE 6 HE1 PHE 6 6.696 -3.610 6.404 45 HE2 PHE 6 HE2 PHE 6 6.419 -7.849 7.044 46 HZ PHE 6 HZ PHE 6 7.175 -5.608 7.792 47 H SER 7 HN SER 7 2.714 -5.834 0.818 48 HA SER 7 HA SER 7 2.935 -3.003 0.211 49 HB2 SER 7 HB2 SER 7 3.940 -4.531 -1.355 50 HB3 SER 7 HB1 SER 7 2.438 -5.439 -1.511 51 HG SER 7 HG SER 7 2.161 -4.109 -3.133 52 H CYS 8 HN CYS 8 0.487 -5.022 1.246 53 HA CYS 8 HA CYS 8 -1.668 -3.877 -0.312 54 HB2 CYS 8 HB2 CYS 8 -1.423 -6.227 0.998 55 HB3 CYS 8 HB1 CYS 8 -2.271 -5.284 2.223 56 HG CYS 8 HG CYS 8 -3.922 -4.696 0.014 57 H LEU 9 HN LEU 9 -0.487 -3.636 3.035 58 HA LEU 9 HA LEU 9 -2.451 -1.736 3.853 59 HB2 LEU 9 HB2 LEU 9 -1.058 -1.452 5.838 60 HB3 LEU 9 HB1 LEU 9 -1.206 -3.165 5.446 61 HG LEU 9 HG LEU 9 1.007 -2.379 3.977 62 HD11 LEU 9 HD11 LEU 9 2.415 -1.066 5.400 63 HD12 LEU 9 HD12 LEU 9 1.273 -1.173 6.740 64 HD13 LEU 9 HD13 LEU 9 0.875 -0.208 5.317 65 HD21 LEU 9 HD21 LEU 9 0.735 -3.639 6.717 66 HD22 LEU 9 HD22 LEU 9 2.264 -3.571 5.844 67 HD23 LEU 9 HD23 LEU 9 0.901 -4.463 5.167 68 H LEU 10 HN LEU 10 0.508 -1.510 2.092 69 HA LEU 10 HA LEU 10 0.929 1.307 2.643 70 HB2 LEU 10 HB2 LEU 10 2.198 -0.585 0.650 71 HB3 LEU 10 HB1 LEU 10 2.690 1.090 0.877 72 HG LEU 10 HG LEU 10 2.672 -1.006 3.069 73 HD11 LEU 10 HD11 LEU 10 5.292 -0.108 2.491 74 HD12 LEU 10 HD12 LEU 10 4.550 -0.501 0.941 75 HD13 LEU 10 HD13 LEU 10 4.626 -1.718 2.215 76 HD21 LEU 10 HD21 LEU 10 3.306 1.916 2.942 77 HD22 LEU 10 HD22 LEU 10 4.334 0.905 3.954 78 HD23 LEU 10 HD23 LEU 10 2.598 0.976 4.255 79 H LEU 11 HN LEU 11 -1.038 -0.538 0.589 80 HA LEU 11 HA LEU 11 -1.165 1.350 -1.595 81 HB2 LEU 11 HB2 LEU 11 -1.625 -1.161 -1.739 82 HB3 LEU 11 HB1 LEU 11 -3.176 -0.811 -0.975 83 HG LEU 11 HG LEU 11 -3.249 1.065 -2.889 84 HD11 LEU 11 HD11 LEU 11 -2.266 0.235 -4.959 85 HD12 LEU 11 HD12 LEU 11 -1.664 -1.203 -4.134 86 HD13 LEU 11 HD13 LEU 11 -0.998 0.382 -3.742 87 HD21 LEU 11 HD21 LEU 11 -3.916 -1.880 -3.176 88 HD22 LEU 11 HD22 LEU 11 -4.490 -0.636 -4.286 89 HD23 LEU 11 HD23 LEU 11 -4.981 -0.601 -2.593 90 H LEU 12 HN LEU 12 -2.820 0.809 1.423 91 HA LEU 12 HA LEU 12 -5.165 2.321 0.859 92 HB2 LEU 12 HB2 LEU 12 -3.836 1.256 3.307 93 HB3 LEU 12 HB1 LEU 12 -5.043 2.526 3.508 94 HG LEU 12 HG LEU 12 -5.671 0.197 1.726 95 HD11 LEU 12 HD11 LEU 12 -5.131 -1.132 3.536 96 HD12 LEU 12 HD12 LEU 12 -6.771 -0.676 3.997 97 HD13 LEU 12 HD13 LEU 12 -5.390 0.166 4.702 98 HD21 LEU 12 HD21 LEU 12 -7.859 0.877 2.046 99 HD22 LEU 12 HD22 LEU 12 -7.045 2.423 2.278 100 HD23 LEU 12 HD23 LEU 12 -7.547 1.472 3.676 101 H THR 13 HN THR 13 -1.920 3.194 1.444 102 HA THR 13 HA THR 13 -2.647 5.917 2.288 103 HB THR 13 HB THR 13 -0.589 6.066 3.251 104 HG1 THR 13 HG1 THR 13 0.647 4.270 1.500 105 HG21 THR 13 HG21 THR 13 0.172 3.939 4.123 106 HG22 THR 13 HG22 THR 13 -0.610 3.071 2.803 107 HG23 THR 13 HG23 THR 13 -1.587 3.894 4.019 108 H DSN 14 HN DSE 14 -1.368 4.088 -0.387 109 HA DSN 14 HA DSE 14 -1.359 6.548 -2.011 110 HB2 DSN 14 HB1 DSE 14 -1.306 3.733 -3.079 111 HB3 DSN 14 HB2 DSE 14 -1.839 5.205 -3.887 112 HG DSN 14 HG DSE 14 -3.097 4.220 -1.564 113 H GLU 15 HN GLU 15 0.654 4.017 -0.779 114 HA GLU 15 HA GLU 15 3.016 5.351 -1.769 115 HB2 GLU 15 HB2 GLU 15 2.372 3.314 0.229 116 HB3 GLU 15 HB1 GLU 15 3.863 2.976 -0.650 117 HG2 GLU 15 HG2 GLU 15 3.259 5.689 0.540 118 HG3 GLU 15 HG1 GLU 15 4.101 4.429 1.438 119 H ILE 16 HN ILE 16 1.993 1.928 -1.964 120 HA ILE 16 HA ILE 16 3.606 1.601 -4.378 121 HB ILE 16 HB ILE 16 1.902 -0.500 -3.042 122 HG12 ILE 16 HG12 ILE 16 3.273 0.390 -1.276 123 HG13 ILE 16 HG11 ILE 16 4.048 -1.095 -1.826 124 HG21 ILE 16 HG21 ILE 16 4.534 -1.136 -4.204 125 HG22 ILE 16 HG22 ILE 16 3.356 -0.535 -5.369 126 HG23 ILE 16 HG23 ILE 16 2.987 -1.961 -4.400 127 HD11 ILE 16 HD11 ILE 16 4.851 1.759 -2.397 128 HD12 ILE 16 HD12 ILE 16 5.419 0.425 -3.402 129 HD13 ILE 16 HD13 ILE 16 5.820 0.470 -1.685 130 H ASP 17 HN ASP 17 1.812 3.302 -5.173 131 HA ASP 17 HA ASP 17 -0.381 1.764 -6.431 132 HB2 ASP 17 HB2 ASP 17 -1.538 3.432 -5.391 133 HB3 ASP 17 HB1 ASP 17 -0.161 4.531 -5.380 134 H LEU 18 HN LEU 18 2.571 3.300 -6.998 135 HA LEU 18 HA LEU 18 1.963 3.758 -9.842 136 HB2 LEU 18 HB2 LEU 18 4.638 4.509 -8.866 137 HB3 LEU 18 HB1 LEU 18 3.504 5.409 -9.865 138 HG LEU 18 HG LEU 18 3.193 5.048 -6.864 139 HD11 LEU 18 HD11 LEU 18 5.176 6.369 -7.332 140 HD12 LEU 18 HD12 LEU 18 3.887 7.433 -6.767 141 HD13 LEU 18 HD13 LEU 18 4.280 7.359 -8.485 142 HD21 LEU 18 HD21 LEU 18 1.135 5.482 -8.321 143 HD22 LEU 18 HD22 LEU 18 1.870 7.030 -8.734 144 HD23 LEU 18 HD23 LEU 18 1.441 6.676 -7.060 145 HA PRO 19 HA PRO 19 5.703 0.803 -9.915 146 HB2 PRO 19 HB2 PRO 19 6.166 -0.589 -7.531 147 HB3 PRO 19 HB1 PRO 19 7.083 0.801 -8.126 148 HG2 PRO 19 HG2 PRO 19 5.305 0.656 -5.887 149 HG3 PRO 19 HG1 PRO 19 6.304 2.010 -6.423 150 HD2 PRO 19 HD2 PRO 19 3.433 1.633 -6.740 151 HD3 PRO 19 HD1 PRO 19 4.408 3.076 -7.064 152 H VAL 20 HN VAL 20 2.632 0.301 -9.354 153 HA VAL 20 HA VAL 20 2.710 -2.633 -9.218 154 HB VAL 20 HB VAL 20 0.113 -2.209 -9.277 155 HG11 VAL 20 HG11 VAL 20 1.360 -3.101 -7.354 156 HG12 VAL 20 HG12 VAL 20 0.158 -1.925 -6.818 157 HG13 VAL 20 HG13 VAL 20 1.859 -1.468 -6.912 158 HG21 VAL 20 HG21 VAL 20 -0.629 -0.075 -8.834 159 HG22 VAL 20 HG22 VAL 20 0.840 0.345 -9.715 160 HG23 VAL 20 HG23 VAL 20 0.834 0.360 -7.952 161 H LYS 21 HN LYS 21 3.625 -1.039 -11.540 162 HA LYS 21 HA LYS 21 1.895 -2.303 -13.567 163 HB2 LYS 21 HB2 LYS 21 1.558 0.242 -13.307 164 HB3 LYS 21 HB1 LYS 21 3.161 0.389 -14.025 165 HG2 LYS 21 HG2 LYS 21 2.416 -0.914 -15.979 166 HG3 LYS 21 HG1 LYS 21 0.812 -1.074 -15.264 167 HD2 LYS 21 HD2 LYS 21 0.209 0.953 -16.033 168 HD3 LYS 21 HD1 LYS 21 1.614 1.701 -15.273 169 HE2 LYS 21 HE2 LYS 21 1.686 2.056 -17.699 170 HE3 LYS 21 HE1 LYS 21 3.009 1.000 -17.203 171 HZ1 LYS 21 HZ1 LYS 21 1.120 0.463 -19.113 172 HZ2 LYS 21 HZ2 LYS 21 0.643 -0.476 -17.780 173 HZ3 LYS 21 HZ3 LYS 21 2.205 -0.647 -18.428 174 H ARG 22 HN ARG 22 5.052 -1.078 -12.624 175 HA ARG 22 HA ARG 22 6.295 -2.342 -14.968 176 HB2 ARG 22 HB2 ARG 22 7.701 -0.758 -12.819 177 HB3 ARG 22 HB1 ARG 22 8.239 -1.081 -14.467 178 HG2 ARG 22 HG2 ARG 22 6.054 0.167 -15.164 179 HG3 ARG 22 HG1 ARG 22 6.094 0.804 -13.519 180 HD2 ARG 22 HD2 ARG 22 8.274 1.055 -15.608 181 HD3 ARG 22 HD1 ARG 22 7.259 2.353 -14.986 182 HE ARG 22 HE ARG 22 8.475 1.330 -12.752 183 HH11 ARG 22 HH11 ARG 22 10.456 2.113 -11.966 184 HH12 ARG 22 HH12 ARG 22 11.564 2.890 -13.047 185 HH21 ARG 22 HH21 ARG 22 9.524 2.524 -15.827 186 HH22 ARG 22 HH22 ARG 22 11.037 3.123 -15.232 187 H ARG 23 HN ARG 23 8.819 -2.801 -13.726 188 HA ARG 23 HA ARG 23 9.934 -4.605 -12.825 189 HB2 ARG 23 HB2 ARG 23 7.898 -4.278 -10.610 190 HB3 ARG 23 HB1 ARG 23 9.512 -4.977 -10.477 191 HG2 ARG 23 HG2 ARG 23 10.381 -2.709 -11.325 192 HG3 ARG 23 HG1 ARG 23 8.763 -2.094 -10.980 193 HD2 ARG 23 HD2 ARG 23 9.034 -3.066 -8.640 194 HD3 ARG 23 HD1 ARG 23 10.732 -3.311 -9.034 195 HE ARG 23 HE ARG 23 10.131 -0.647 -9.625 196 HH11 ARG 23 HH11 ARG 23 10.621 0.986 -8.124 197 HH12 ARG 23 HH12 ARG 23 10.809 0.588 -6.449 198 HH21 ARG 23 HH21 ARG 23 10.194 -2.793 -6.911 199 HH22 ARG 23 HH22 ARG 23 10.567 -1.552 -5.763 200 H ALA 24 HN ALA 24 8.515 -6.446 -10.887 201 HA ALA 24 HA ALA 24 7.599 -8.551 -10.997 202 HB1 ALA 24 HB1 ALA 24 5.508 -7.387 -11.159 203 HB2 ALA 24 HB2 ALA 24 5.470 -8.691 -12.345 204 HB3 ALA 24 HB3 ALA 24 5.772 -7.033 -12.866 Start of MODEL 6 1 H MET 1 HN MET 1 4.302 -8.932 -8.458 2 HA MET 1 HA MET 1 2.329 -8.955 -6.713 3 HB2 MET 1 HB2 MET 1 4.263 -11.267 -6.989 4 HB3 MET 1 HB1 MET 1 2.634 -11.385 -6.322 5 HG2 MET 1 HG2 MET 1 3.161 -10.261 -9.078 6 HG3 MET 1 HG1 MET 1 2.891 -11.982 -8.803 7 HE1 MET 1 HE1 MET 1 -0.311 -10.119 -10.367 8 HE2 MET 1 HE2 MET 1 1.291 -10.744 -10.753 9 HE3 MET 1 HE3 MET 1 1.116 -9.096 -10.153 10 H ALA 2 HN ALA 2 1.913 -9.479 -4.518 11 HA ALA 2 HA ALA 2 4.213 -9.475 -2.693 12 HB1 ALA 2 HB1 ALA 2 2.540 -7.204 -3.167 13 HB2 ALA 2 HB2 ALA 2 3.867 -7.368 -2.016 14 HB3 ALA 2 HB3 ALA 2 2.224 -7.801 -1.537 15 HA PRO 3 HA PRO 3 1.779 -12.322 -0.392 16 HB2 PRO 3 HB2 PRO 3 2.370 -11.693 2.206 17 HB3 PRO 3 HB1 PRO 3 3.515 -12.490 1.114 18 HG2 PRO 3 HG2 PRO 3 3.349 -9.631 1.922 19 HG3 PRO 3 HG1 PRO 3 4.773 -10.657 1.682 20 HD2 PRO 3 HD2 PRO 3 3.917 -8.838 -0.179 21 HD3 PRO 3 HD1 PRO 3 4.802 -10.320 -0.601 22 H ARG 4 HN ARG 4 0.391 -9.899 -1.204 23 HA ARG 4 HA ARG 4 -1.449 -8.585 -0.693 24 HB2 ARG 4 HB2 ARG 4 -2.120 -11.330 0.360 25 HB3 ARG 4 HB1 ARG 4 -3.296 -10.015 0.362 26 HG2 ARG 4 HG2 ARG 4 -2.973 -9.734 -2.077 27 HG3 ARG 4 HG1 ARG 4 -1.831 -11.078 -2.072 28 HD2 ARG 4 HD2 ARG 4 -3.643 -12.371 -2.495 29 HD3 ARG 4 HD1 ARG 4 -3.994 -12.174 -0.781 30 HE ARG 4 HE ARG 4 -5.757 -10.769 -1.356 31 HH11 ARG 4 HH11 ARG 4 -7.120 -9.743 -2.856 32 HH12 ARG 4 HH12 ARG 4 -6.637 -9.623 -4.515 33 HH21 ARG 4 HH21 ARG 4 -3.622 -11.266 -4.034 34 HH22 ARG 4 HH22 ARG 4 -4.657 -10.484 -5.182 35 H GLY 5 HN GLY 5 0.600 -8.107 1.135 36 HA2 GLY 5 HA2 GLY 5 -0.968 -7.296 3.464 37 HA3 GLY 5 HA1 GLY 5 0.420 -8.336 3.775 38 H PHE 6 HN PHE 6 2.540 -7.570 3.025 39 HA PHE 6 HA PHE 6 3.259 -5.097 3.967 40 HB2 PHE 6 HB2 PHE 6 4.517 -7.185 2.487 41 HB3 PHE 6 HB1 PHE 6 4.952 -5.648 1.742 42 HD1 PHE 6 HD1 PHE 6 6.238 -3.974 2.945 43 HD2 PHE 6 HD2 PHE 6 5.064 -7.643 4.845 44 HE1 PHE 6 HE1 PHE 6 7.814 -3.515 4.804 45 HE2 PHE 6 HE2 PHE 6 6.640 -7.184 6.704 46 HZ PHE 6 HZ PHE 6 8.014 -5.121 6.684 47 H SER 7 HN SER 7 2.494 -5.921 0.585 48 HA SER 7 HA SER 7 2.641 -3.127 -0.208 49 HB2 SER 7 HB2 SER 7 3.364 -5.080 -1.668 50 HB3 SER 7 HB1 SER 7 1.653 -5.452 -1.864 51 HG SER 7 HG SER 7 1.375 -3.644 -2.991 52 H CYS 8 HN CYS 8 0.373 -5.006 1.313 53 HA CYS 8 HA CYS 8 -1.974 -3.939 -0.032 54 HB2 CYS 8 HB2 CYS 8 -3.099 -5.586 1.021 55 HB3 CYS 8 HB1 CYS 8 -1.506 -6.222 1.428 56 HG CYS 8 HG CYS 8 -2.266 -4.183 3.492 57 H LEU 9 HN LEU 9 -0.265 -3.511 3.044 58 HA LEU 9 HA LEU 9 -2.140 -1.591 4.065 59 HB2 LEU 9 HB2 LEU 9 -0.506 -1.254 5.848 60 HB3 LEU 9 HB1 LEU 9 -0.719 -2.979 5.544 61 HG LEU 9 HG LEU 9 1.300 -2.290 3.781 62 HD11 LEU 9 HD11 LEU 9 1.910 -0.949 6.426 63 HD12 LEU 9 HD12 LEU 9 1.356 -0.056 5.011 64 HD13 LEU 9 HD13 LEU 9 2.886 -0.932 4.958 65 HD21 LEU 9 HD21 LEU 9 1.370 -3.410 6.596 66 HD22 LEU 9 HD22 LEU 9 2.774 -3.410 5.528 67 HD23 LEU 9 HD23 LEU 9 1.326 -4.312 5.081 68 H LEU 10 HN LEU 10 0.555 -1.475 1.922 69 HA LEU 10 HA LEU 10 1.092 1.346 2.318 70 HB2 LEU 10 HB2 LEU 10 2.051 -0.632 0.238 71 HB3 LEU 10 HB1 LEU 10 2.596 1.041 0.336 72 HG LEU 10 HG LEU 10 2.840 -0.981 2.586 73 HD11 LEU 10 HD11 LEU 10 5.258 -0.962 2.023 74 HD12 LEU 10 HD12 LEU 10 4.906 0.048 0.620 75 HD13 LEU 10 HD13 LEU 10 4.278 -1.598 0.702 76 HD21 LEU 10 HD21 LEU 10 3.508 1.919 2.267 77 HD22 LEU 10 HD22 LEU 10 4.635 0.915 3.177 78 HD23 LEU 10 HD23 LEU 10 2.955 1.046 3.694 79 H LEU 11 HN LEU 11 -1.040 -0.592 0.441 80 HA LEU 11 HA LEU 11 -1.461 1.295 -1.686 81 HB2 LEU 11 HB2 LEU 11 -2.268 -1.369 -1.076 82 HB3 LEU 11 HB1 LEU 11 -3.723 -0.412 -1.350 83 HG LEU 11 HG LEU 11 -1.330 -0.483 -3.212 84 HD11 LEU 11 HD11 LEU 11 -2.523 -2.634 -3.192 85 HD12 LEU 11 HD12 LEU 11 -2.832 -1.775 -4.701 86 HD13 LEU 11 HD13 LEU 11 -4.056 -1.797 -3.433 87 HD21 LEU 11 HD21 LEU 11 -2.282 1.310 -4.190 88 HD22 LEU 11 HD22 LEU 11 -3.517 1.334 -2.931 89 HD23 LEU 11 HD23 LEU 11 -3.780 0.405 -4.406 90 H LEU 12 HN LEU 12 -2.891 0.669 1.459 91 HA LEU 12 HA LEU 12 -5.209 2.300 1.090 92 HB2 LEU 12 HB2 LEU 12 -3.804 1.172 3.505 93 HB3 LEU 12 HB1 LEU 12 -5.186 2.256 3.667 94 HG LEU 12 HG LEU 12 -5.512 0.024 1.739 95 HD11 LEU 12 HD11 LEU 12 -4.407 -1.225 3.468 96 HD12 LEU 12 HD12 LEU 12 -6.136 -1.504 3.672 97 HD13 LEU 12 HD13 LEU 12 -5.294 -0.375 4.732 98 HD21 LEU 12 HD21 LEU 12 -7.769 0.037 2.681 99 HD22 LEU 12 HD22 LEU 12 -7.285 1.691 2.308 100 HD23 LEU 12 HD23 LEU 12 -7.250 1.116 3.975 101 H THR 13 HN THR 13 -2.238 3.294 0.738 102 HA THR 13 HA THR 13 -2.774 5.925 1.942 103 HB THR 13 HB THR 13 -0.782 6.052 3.078 104 HG1 THR 13 HG1 THR 13 0.370 3.945 1.617 105 HG21 THR 13 HG21 THR 13 -1.102 3.043 2.961 106 HG22 THR 13 HG22 THR 13 -2.118 4.104 3.938 107 HG23 THR 13 HG23 THR 13 -0.391 3.986 4.272 108 H DSN 14 HN DSE 14 -1.725 4.008 -0.656 109 HA DSN 14 HA DSE 14 -1.268 6.387 -2.278 110 HB2 DSN 14 HB1 DSE 14 -0.969 3.670 -3.441 111 HB3 DSN 14 HB2 DSE 14 -1.798 5.085 -4.082 112 HG DSN 14 HG DSE 14 -3.549 4.648 -2.921 113 H GLU 15 HN GLU 15 0.594 4.306 -0.432 114 HA GLU 15 HA GLU 15 3.049 5.434 -1.225 115 HB2 GLU 15 HB2 GLU 15 2.148 3.327 0.609 116 HB3 GLU 15 HB1 GLU 15 3.756 3.047 -0.060 117 HG2 GLU 15 HG2 GLU 15 2.940 5.712 1.108 118 HG3 GLU 15 HG1 GLU 15 3.654 4.435 2.090 119 H ILE 16 HN ILE 16 1.568 2.290 -1.976 120 HA ILE 16 HA ILE 16 3.555 1.946 -4.142 121 HB ILE 16 HB ILE 16 1.953 -0.167 -2.677 122 HG12 ILE 16 HG12 ILE 16 3.998 1.115 -1.568 123 HG13 ILE 16 HG11 ILE 16 3.844 -0.632 -1.410 124 HG21 ILE 16 HG21 ILE 16 3.687 -1.647 -3.916 125 HG22 ILE 16 HG22 ILE 16 3.914 -0.249 -4.968 126 HG23 ILE 16 HG23 ILE 16 2.331 -1.014 -4.844 127 HD11 ILE 16 HD11 ILE 16 5.383 0.588 -3.704 128 HD12 ILE 16 HD12 ILE 16 5.493 -1.045 -3.050 129 HD13 ILE 16 HD13 ILE 16 6.143 0.315 -2.139 130 H ASP 17 HN ASP 17 2.140 3.379 -5.404 131 HA ASP 17 HA ASP 17 -0.343 2.086 -6.331 132 HB2 ASP 17 HB2 ASP 17 0.118 4.687 -5.605 133 HB3 ASP 17 HB1 ASP 17 0.302 4.765 -7.355 134 H LEU 18 HN LEU 18 2.312 1.171 -7.079 135 HA LEU 18 HA LEU 18 2.539 1.979 -9.889 136 HB2 LEU 18 HB2 LEU 18 4.419 -0.044 -8.866 137 HB3 LEU 18 HB1 LEU 18 4.728 1.424 -9.785 138 HG LEU 18 HG LEU 18 4.086 1.336 -6.815 139 HD11 LEU 18 HD11 LEU 18 6.277 0.408 -7.219 140 HD12 LEU 18 HD12 LEU 18 6.476 2.048 -6.599 141 HD13 LEU 18 HD13 LEU 18 6.680 1.726 -8.321 142 HD21 LEU 18 HD21 LEU 18 4.506 3.527 -8.821 143 HD22 LEU 18 HD22 LEU 18 5.138 3.759 -7.193 144 HD23 LEU 18 HD23 LEU 18 3.416 3.474 -7.437 145 HA PRO 19 HA PRO 19 1.761 -2.704 -10.224 146 HB2 PRO 19 HB2 PRO 19 0.652 -3.955 -8.013 147 HB3 PRO 19 HB1 PRO 19 2.375 -3.946 -8.421 148 HG2 PRO 19 HG2 PRO 19 0.982 -2.569 -6.284 149 HG3 PRO 19 HG1 PRO 19 2.715 -2.839 -6.508 150 HD2 PRO 19 HD2 PRO 19 1.230 -0.420 -6.965 151 HD3 PRO 19 HD1 PRO 19 2.969 -0.689 -7.177 152 H VAL 20 HN VAL 20 -0.224 -0.291 -9.329 153 HA VAL 20 HA VAL 20 -2.763 -1.694 -9.468 154 HB VAL 20 HB VAL 20 -3.739 0.552 -9.274 155 HG11 VAL 20 HG11 VAL 20 -1.399 0.278 -7.375 156 HG12 VAL 20 HG12 VAL 20 -2.849 -0.718 -7.266 157 HG13 VAL 20 HG13 VAL 20 -2.961 1.029 -7.049 158 HG21 VAL 20 HG21 VAL 20 -0.860 1.373 -9.664 159 HG22 VAL 20 HG22 VAL 20 -2.030 2.442 -8.890 160 HG23 VAL 20 HG23 VAL 20 -2.280 1.919 -10.556 161 H LYS 21 HN LYS 21 -0.833 -1.791 -11.722 162 HA LYS 21 HA LYS 21 -2.721 -1.011 -13.826 163 HB2 LYS 21 HB2 LYS 21 -0.818 0.752 -13.375 164 HB3 LYS 21 HB1 LYS 21 0.181 -0.402 -14.258 165 HG2 LYS 21 HG2 LYS 21 -1.430 -0.353 -16.136 166 HG3 LYS 21 HG1 LYS 21 -2.409 0.822 -15.258 167 HD2 LYS 21 HD2 LYS 21 -0.465 2.374 -15.217 168 HD3 LYS 21 HD1 LYS 21 0.456 1.213 -16.174 169 HE2 LYS 21 HE2 LYS 21 -2.217 2.273 -17.099 170 HE3 LYS 21 HE1 LYS 21 -0.706 3.105 -17.469 171 HZ1 LYS 21 HZ1 LYS 21 -0.177 1.591 -18.992 172 HZ2 LYS 21 HZ2 LYS 21 -1.788 1.063 -18.898 173 HZ3 LYS 21 HZ3 LYS 21 -0.583 0.289 -17.984 174 H ARG 22 HN ARG 22 -0.407 -3.108 -12.498 175 HA ARG 22 HA ARG 22 0.276 -5.217 -13.109 176 HB2 ARG 22 HB2 ARG 22 -2.191 -5.153 -14.070 177 HB3 ARG 22 HB1 ARG 22 -1.344 -5.139 -15.617 178 HG2 ARG 22 HG2 ARG 22 -0.051 -7.147 -14.877 179 HG3 ARG 22 HG1 ARG 22 -1.029 -7.193 -13.410 180 HD2 ARG 22 HD2 ARG 22 -3.028 -7.625 -14.639 181 HD3 ARG 22 HD1 ARG 22 -2.256 -7.227 -16.171 182 HE ARG 22 HE ARG 22 -1.376 -9.378 -16.227 183 HH11 ARG 22 HH11 ARG 22 -1.125 -11.485 -15.417 184 HH12 ARG 22 HH12 ARG 22 -1.558 -11.833 -13.777 185 HH21 ARG 22 HH21 ARG 22 -2.560 -8.589 -13.074 186 HH22 ARG 22 HH22 ARG 22 -2.370 -10.194 -12.450 187 H ARG 23 HN ARG 23 1.832 -3.009 -13.834 188 HA ARG 23 HA ARG 23 2.795 -3.659 -16.545 189 HB2 ARG 23 HB2 ARG 23 2.243 -1.265 -15.941 190 HB3 ARG 23 HB1 ARG 23 3.602 -1.314 -14.818 191 HG2 ARG 23 HG2 ARG 23 4.879 -0.689 -16.577 192 HG3 ARG 23 HG1 ARG 23 4.686 -2.346 -17.150 193 HD2 ARG 23 HD2 ARG 23 2.528 -1.573 -18.262 194 HD3 ARG 23 HD1 ARG 23 3.038 0.075 -17.902 195 HE ARG 23 HE ARG 23 5.197 -1.028 -19.182 196 HH11 ARG 23 HH11 ARG 23 5.470 -0.924 -21.434 197 HH12 ARG 23 HH12 ARG 23 4.087 -0.748 -22.462 198 HH21 ARG 23 HH21 ARG 23 1.816 -0.699 -19.842 199 HH22 ARG 23 HH22 ARG 23 2.018 -0.619 -21.561 200 H ALA 24 HN ALA 24 3.685 -3.612 -13.161 201 HA ALA 24 HA ALA 24 6.479 -4.154 -13.622 202 HB1 ALA 24 HB1 ALA 24 6.530 -3.423 -11.504 203 HB2 ALA 24 HB2 ALA 24 5.805 -4.953 -11.013 204 HB3 ALA 24 HB3 ALA 24 4.778 -3.563 -11.365 Start of MODEL 7 1 H MET 1 HN MET 1 4.538 -11.168 -8.285 2 HA MET 1 HA MET 1 1.799 -10.130 -8.111 3 HB2 MET 1 HB2 MET 1 2.205 -12.720 -6.737 4 HB3 MET 1 HB1 MET 1 0.780 -12.089 -7.562 5 HG2 MET 1 HG2 MET 1 3.252 -13.276 -8.851 6 HG3 MET 1 HG1 MET 1 1.622 -13.951 -8.858 7 HE1 MET 1 HE1 MET 1 1.369 -14.261 -11.252 8 HE2 MET 1 HE2 MET 1 3.031 -13.759 -11.554 9 HE3 MET 1 HE3 MET 1 1.724 -13.086 -12.525 10 H ALA 2 HN ALA 2 1.458 -9.057 -6.256 11 HA ALA 2 HA ALA 2 3.609 -9.041 -4.271 12 HB1 ALA 2 HB1 ALA 2 1.717 -7.114 -5.280 13 HB2 ALA 2 HB2 ALA 2 3.135 -6.849 -4.265 14 HB3 ALA 2 HB3 ALA 2 1.579 -7.230 -3.526 15 HA PRO 3 HA PRO 3 1.409 -11.307 -1.213 16 HB2 PRO 3 HB2 PRO 3 1.922 -9.898 1.086 17 HB3 PRO 3 HB1 PRO 3 3.119 -10.924 0.274 18 HG2 PRO 3 HG2 PRO 3 2.804 -7.969 0.212 19 HG3 PRO 3 HG1 PRO 3 4.279 -8.949 0.245 20 HD2 PRO 3 HD2 PRO 3 3.314 -7.780 -2.038 21 HD3 PRO 3 HD1 PRO 3 4.275 -9.275 -2.041 22 H ARG 4 HN ARG 4 0.073 -10.612 1.052 23 HA ARG 4 HA ARG 4 -2.062 -8.780 0.128 24 HB2 ARG 4 HB2 ARG 4 -2.427 -11.420 0.319 25 HB3 ARG 4 HB1 ARG 4 -2.711 -10.996 2.008 26 HG2 ARG 4 HG2 ARG 4 -4.241 -9.121 1.024 27 HG3 ARG 4 HG1 ARG 4 -4.224 -10.110 -0.437 28 HD2 ARG 4 HD2 ARG 4 -5.283 -10.809 2.294 29 HD3 ARG 4 HD1 ARG 4 -6.099 -10.913 0.737 30 HE ARG 4 HE ARG 4 -3.837 -12.642 0.790 31 HH11 ARG 4 HH11 ARG 4 -4.228 -14.871 0.997 32 HH12 ARG 4 HH12 ARG 4 -5.757 -15.424 1.594 33 HH21 ARG 4 HH21 ARG 4 -7.053 -12.234 2.002 34 HH22 ARG 4 HH22 ARG 4 -7.356 -13.932 2.162 35 H GLY 5 HN GLY 5 0.258 -8.142 1.764 36 HA2 GLY 5 HA2 GLY 5 -1.163 -6.974 4.025 37 HA3 GLY 5 HA1 GLY 5 0.148 -8.077 4.434 38 H PHE 6 HN PHE 6 2.301 -7.575 3.572 39 HA PHE 6 HA PHE 6 3.221 -5.063 4.185 40 HB2 PHE 6 HB2 PHE 6 4.279 -7.408 2.886 41 HB3 PHE 6 HB1 PHE 6 4.879 -5.955 2.087 42 HD1 PHE 6 HD1 PHE 6 5.756 -4.046 3.629 43 HD2 PHE 6 HD2 PHE 6 5.250 -8.118 4.901 44 HE1 PHE 6 HE1 PHE 6 7.320 -3.652 5.514 45 HE2 PHE 6 HE2 PHE 6 6.814 -7.724 6.786 46 HZ PHE 6 HZ PHE 6 7.849 -5.491 7.093 47 H SER 7 HN SER 7 2.173 -6.247 1.005 48 HA SER 7 HA SER 7 2.574 -3.607 -0.177 49 HB2 SER 7 HB2 SER 7 1.682 -6.264 -1.299 50 HB3 SER 7 HB1 SER 7 1.688 -4.781 -2.247 51 HG SER 7 HG SER 7 3.810 -4.809 -2.286 52 H CYS 8 HN CYS 8 0.203 -5.131 1.595 53 HA CYS 8 HA CYS 8 -2.088 -4.042 0.181 54 HB2 CYS 8 HB2 CYS 8 -3.305 -5.457 1.450 55 HB3 CYS 8 HB1 CYS 8 -1.753 -6.161 1.903 56 HG CYS 8 HG CYS 8 -3.522 -4.938 3.865 57 H LEU 9 HN LEU 9 -0.168 -3.313 3.053 58 HA LEU 9 HA LEU 9 -1.897 -1.159 3.896 59 HB2 LEU 9 HB2 LEU 9 -0.193 -0.735 5.591 60 HB3 LEU 9 HB1 LEU 9 -0.548 -2.461 5.513 61 HG LEU 9 HG LEU 9 1.466 -2.176 3.645 62 HD11 LEU 9 HD11 LEU 9 2.256 -0.543 6.068 63 HD12 LEU 9 HD12 LEU 9 1.729 0.192 4.554 64 HD13 LEU 9 HD13 LEU 9 3.186 -0.801 4.592 65 HD21 LEU 9 HD21 LEU 9 1.523 -2.912 6.582 66 HD22 LEU 9 HD22 LEU 9 2.903 -3.153 5.511 67 HD23 LEU 9 HD23 LEU 9 1.389 -4.002 5.202 68 H LEU 10 HN LEU 10 0.741 -1.533 1.710 69 HA LEU 10 HA LEU 10 1.503 1.263 1.725 70 HB2 LEU 10 HB2 LEU 10 2.246 -1.039 -0.094 71 HB3 LEU 10 HB1 LEU 10 2.926 0.581 -0.221 72 HG LEU 10 HG LEU 10 3.056 -1.139 2.274 73 HD11 LEU 10 HD11 LEU 10 5.423 -1.473 1.692 74 HD12 LEU 10 HD12 LEU 10 5.192 -0.557 0.203 75 HD13 LEU 10 HD13 LEU 10 4.376 -2.105 0.423 76 HD21 LEU 10 HD21 LEU 10 5.027 0.646 2.576 77 HD22 LEU 10 HD22 LEU 10 3.380 0.997 3.094 78 HD23 LEU 10 HD23 LEU 10 3.970 1.617 1.554 79 H LEU 11 HN LEU 11 -0.731 -0.796 0.067 80 HA LEU 11 HA LEU 11 -1.153 1.055 -2.135 81 HB2 LEU 11 HB2 LEU 11 -1.352 -1.499 -2.270 82 HB3 LEU 11 HB1 LEU 11 -2.887 -1.308 -1.422 83 HG LEU 11 HG LEU 11 -3.078 0.606 -3.395 84 HD11 LEU 11 HD11 LEU 11 -2.352 -0.398 -5.475 85 HD12 LEU 11 HD12 LEU 11 -1.819 -1.856 -4.637 86 HD13 LEU 11 HD13 LEU 11 -0.962 -0.334 -4.390 87 HD21 LEU 11 HD21 LEU 11 -4.621 -1.015 -4.476 88 HD22 LEU 11 HD22 LEU 11 -4.828 -0.985 -2.725 89 HD23 LEU 11 HD23 LEU 11 -3.939 -2.305 -3.484 90 H LEU 12 HN LEU 12 -2.347 0.534 1.040 91 HA LEU 12 HA LEU 12 -4.969 1.596 0.724 92 HB2 LEU 12 HB2 LEU 12 -3.237 0.752 2.920 93 HB3 LEU 12 HB1 LEU 12 -4.225 2.152 3.336 94 HG LEU 12 HG LEU 12 -5.378 -0.313 2.014 95 HD11 LEU 12 HD11 LEU 12 -5.057 0.348 4.953 96 HD12 LEU 12 HD12 LEU 12 -4.468 -1.082 4.105 97 HD13 LEU 12 HD13 LEU 12 -6.199 -0.854 4.351 98 HD21 LEU 12 HD21 LEU 12 -6.394 2.243 2.466 99 HD22 LEU 12 HD22 LEU 12 -7.040 1.296 3.806 100 HD23 LEU 12 HD23 LEU 12 -7.349 0.796 2.143 101 H THR 13 HN THR 13 -2.199 3.086 2.414 102 HA THR 13 HA THR 13 -3.233 5.688 2.438 103 HB THR 13 HB THR 13 -1.033 6.403 3.058 104 HG1 THR 13 HG1 THR 13 0.757 5.089 2.659 105 HG21 THR 13 HG21 THR 13 -2.360 4.550 4.437 106 HG22 THR 13 HG22 THR 13 -0.762 5.096 4.941 107 HG23 THR 13 HG23 THR 13 -0.936 3.587 4.047 108 H DSN 14 HN DSE 14 -0.869 4.224 0.208 109 HA DSN 14 HA DSE 14 -1.364 6.438 -1.682 110 HB2 DSN 14 HB1 DSE 14 -2.380 3.902 -2.023 111 HB3 DSN 14 HB2 DSE 14 -0.878 3.840 -2.940 112 HG DSN 14 HG DSE 14 -3.140 5.403 -3.342 113 H GLU 15 HN GLU 15 0.747 3.813 -0.623 114 HA GLU 15 HA GLU 15 3.080 5.406 -1.234 115 HB2 GLU 15 HB2 GLU 15 2.522 2.856 0.185 116 HB3 GLU 15 HB1 GLU 15 4.131 3.044 -0.511 117 HG2 GLU 15 HG2 GLU 15 2.928 5.278 1.102 118 HG3 GLU 15 HG1 GLU 15 3.685 3.914 1.920 119 H ILE 16 HN ILE 16 1.908 2.186 -2.256 120 HA ILE 16 HA ILE 16 3.583 2.445 -4.680 121 HB ILE 16 HB ILE 16 2.407 -0.063 -3.461 122 HG12 ILE 16 HG12 ILE 16 5.295 0.852 -3.470 123 HG13 ILE 16 HG11 ILE 16 4.211 1.126 -2.106 124 HG21 ILE 16 HG21 ILE 16 4.170 -1.090 -5.015 125 HG22 ILE 16 HG22 ILE 16 4.264 0.495 -5.783 126 HG23 ILE 16 HG23 ILE 16 2.747 -0.405 -5.799 127 HD11 ILE 16 HD11 ILE 16 5.674 -1.000 -2.048 128 HD12 ILE 16 HD12 ILE 16 4.581 -1.626 -3.281 129 HD13 ILE 16 HD13 ILE 16 3.957 -1.185 -1.693 130 H ASP 17 HN ASP 17 1.818 3.864 -5.474 131 HA ASP 17 HA ASP 17 -0.421 2.277 -6.587 132 HB2 ASP 17 HB2 ASP 17 -1.413 4.724 -6.766 133 HB3 ASP 17 HB1 ASP 17 -1.550 3.785 -5.285 134 H LEU 18 HN LEU 18 2.438 3.402 -7.430 135 HA LEU 18 HA LEU 18 1.638 4.678 -9.940 136 HB2 LEU 18 HB2 LEU 18 4.509 4.231 -9.502 137 HB3 LEU 18 HB1 LEU 18 3.645 5.699 -9.948 138 HG LEU 18 HG LEU 18 3.806 4.527 -7.152 139 HD11 LEU 18 HD11 LEU 18 5.484 6.351 -8.648 140 HD12 LEU 18 HD12 LEU 18 5.728 5.675 -7.038 141 HD13 LEU 18 HD13 LEU 18 4.786 7.151 -7.240 142 HD21 LEU 18 HD21 LEU 18 1.885 5.690 -6.855 143 HD22 LEU 18 HD22 LEU 18 2.029 6.478 -8.424 144 HD23 LEU 18 HD23 LEU 18 2.873 7.140 -7.023 145 HA PRO 19 HA PRO 19 3.840 0.816 -11.577 146 HB2 PRO 19 HB2 PRO 19 4.577 -1.178 -9.908 147 HB3 PRO 19 HB1 PRO 19 5.576 0.269 -10.148 148 HG2 PRO 19 HG2 PRO 19 3.840 -0.472 -7.873 149 HG3 PRO 19 HG1 PRO 19 5.345 0.458 -7.892 150 HD2 PRO 19 HD2 PRO 19 2.736 1.523 -7.753 151 HD3 PRO 19 HD1 PRO 19 4.222 2.432 -8.088 152 H VAL 20 HN VAL 20 1.316 0.654 -9.286 153 HA VAL 20 HA VAL 20 0.319 -1.935 -10.216 154 HB VAL 20 HB VAL 20 -1.171 -0.133 -8.338 155 HG11 VAL 20 HG11 VAL 20 -2.007 -2.195 -7.482 156 HG12 VAL 20 HG12 VAL 20 -0.731 -3.124 -8.269 157 HG13 VAL 20 HG13 VAL 20 -2.008 -2.385 -9.235 158 HG21 VAL 20 HG21 VAL 20 1.342 -1.720 -7.774 159 HG22 VAL 20 HG22 VAL 20 0.185 -1.316 -6.506 160 HG23 VAL 20 HG23 VAL 20 1.015 -0.032 -7.386 161 H LYS 21 HN LYS 21 0.484 0.334 -12.057 162 HA LYS 21 HA LYS 21 -2.336 0.364 -12.881 163 HB2 LYS 21 HB2 LYS 21 -1.613 2.508 -11.600 164 HB3 LYS 21 HB1 LYS 21 -0.711 2.886 -13.067 165 HG2 LYS 21 HG2 LYS 21 -2.690 3.839 -13.704 166 HG3 LYS 21 HG1 LYS 21 -3.092 2.181 -14.154 167 HD2 LYS 21 HD2 LYS 21 -3.976 1.894 -11.775 168 HD3 LYS 21 HD1 LYS 21 -3.840 3.645 -11.616 169 HE2 LYS 21 HE2 LYS 21 -5.220 3.772 -13.789 170 HE3 LYS 21 HE1 LYS 21 -5.592 2.071 -13.505 171 HZ1 LYS 21 HZ1 LYS 21 -7.303 3.256 -12.475 172 HZ2 LYS 21 HZ2 LYS 21 -6.242 4.398 -11.800 173 HZ3 LYS 21 HZ3 LYS 21 -6.279 2.808 -11.201 174 H ARG 22 HN ARG 22 0.845 1.673 -13.853 175 HA ARG 22 HA ARG 22 0.818 0.087 -16.281 176 HB2 ARG 22 HB2 ARG 22 -0.559 2.293 -16.622 177 HB3 ARG 22 HB1 ARG 22 1.034 3.050 -16.689 178 HG2 ARG 22 HG2 ARG 22 0.819 2.508 -18.915 179 HG3 ARG 22 HG1 ARG 22 1.504 0.989 -18.338 180 HD2 ARG 22 HD2 ARG 22 -0.841 0.145 -17.995 181 HD3 ARG 22 HD1 ARG 22 -1.427 1.611 -18.776 182 HE ARG 22 HE ARG 22 0.467 0.405 -20.474 183 HH11 ARG 22 HH11 ARG 22 -0.262 -0.834 -22.232 184 HH12 ARG 22 HH12 ARG 22 -1.868 -1.483 -22.221 185 HH21 ARG 22 HH21 ARG 22 -2.671 -0.149 -19.123 186 HH22 ARG 22 HH22 ARG 22 -3.231 -1.094 -20.461 187 H ARG 23 HN ARG 23 2.847 -0.117 -17.200 188 HA ARG 23 HA ARG 23 5.043 1.572 -16.353 189 HB2 ARG 23 HB2 ARG 23 4.606 -0.269 -14.547 190 HB3 ARG 23 HB1 ARG 23 5.354 -1.346 -15.727 191 HG2 ARG 23 HG2 ARG 23 7.160 0.616 -15.826 192 HG3 ARG 23 HG1 ARG 23 6.560 0.918 -14.195 193 HD2 ARG 23 HD2 ARG 23 6.955 -1.486 -13.651 194 HD3 ARG 23 HD1 ARG 23 7.662 -1.701 -15.250 195 HE ARG 23 HE ARG 23 9.565 -0.555 -14.520 196 HH11 ARG 23 HH11 ARG 23 10.849 0.339 -12.874 197 HH12 ARG 23 HH12 ARG 23 10.135 0.738 -11.347 198 HH21 ARG 23 HH21 ARG 23 6.959 -0.313 -12.256 199 HH22 ARG 23 HH22 ARG 23 7.933 0.369 -10.997 200 H ALA 24 HN ALA 24 4.380 -1.674 -17.694 201 HA ALA 24 HA ALA 24 5.848 -0.892 -20.123 202 HB1 ALA 24 HB1 ALA 24 7.570 -2.201 -19.507 203 HB2 ALA 24 HB2 ALA 24 6.493 -3.569 -19.789 204 HB3 ALA 24 HB3 ALA 24 6.660 -2.897 -18.167 Start of MODEL 8 1 H MET 1 HN MET 1 1.092 -9.476 -5.896 2 HA MET 1 HA MET 1 -0.028 -11.881 -5.618 3 HB2 MET 1 HB2 MET 1 2.773 -12.474 -6.588 4 HB3 MET 1 HB1 MET 1 1.506 -13.634 -6.189 5 HG2 MET 1 HG2 MET 1 0.305 -11.967 -8.068 6 HG3 MET 1 HG1 MET 1 1.950 -12.160 -8.671 7 HE1 MET 1 HE1 MET 1 -1.472 -13.509 -8.269 8 HE2 MET 1 HE2 MET 1 -1.393 -14.819 -9.443 9 HE3 MET 1 HE3 MET 1 -0.921 -13.190 -9.919 10 H ALA 2 HN ALA 2 0.667 -9.831 -3.957 11 HA ALA 2 HA ALA 2 2.888 -10.702 -2.277 12 HB1 ALA 2 HB1 ALA 2 3.000 -8.506 -1.851 13 HB2 ALA 2 HB2 ALA 2 1.436 -8.604 -1.043 14 HB3 ALA 2 HB3 ALA 2 1.516 -8.232 -2.765 15 HA PRO 3 HA PRO 3 0.458 -12.846 0.692 16 HB2 PRO 3 HB2 PRO 3 1.557 -12.069 3.078 17 HB3 PRO 3 HB1 PRO 3 2.366 -13.164 1.943 18 HG2 PRO 3 HG2 PRO 3 2.793 -10.255 2.394 19 HG3 PRO 3 HG1 PRO 3 3.976 -11.537 2.078 20 HD2 PRO 3 HD2 PRO 3 3.122 -9.786 0.152 21 HD3 PRO 3 HD1 PRO 3 3.677 -11.436 -0.208 22 H ARG 4 HN ARG 4 -0.648 -10.305 -0.202 23 HA ARG 4 HA ARG 4 -2.154 -8.654 0.408 24 HB2 ARG 4 HB2 ARG 4 -3.061 -11.147 1.836 25 HB3 ARG 4 HB1 ARG 4 -3.996 -9.653 1.905 26 HG2 ARG 4 HG2 ARG 4 -4.523 -9.712 -0.350 27 HG3 ARG 4 HG1 ARG 4 -3.076 -10.629 -0.771 28 HD2 ARG 4 HD2 ARG 4 -5.412 -11.828 -0.779 29 HD3 ARG 4 HD1 ARG 4 -4.007 -12.662 -0.121 30 HE ARG 4 HE ARG 4 -5.053 -12.615 1.941 31 HH11 ARG 4 HH11 ARG 4 -6.644 -11.956 3.422 32 HH12 ARG 4 HH12 ARG 4 -7.721 -10.663 3.010 33 HH21 ARG 4 HH21 ARG 4 -6.324 -10.143 -0.121 34 HH22 ARG 4 HH22 ARG 4 -7.540 -9.636 1.004 35 H GLY 5 HN GLY 5 0.070 -8.046 1.726 36 HA2 GLY 5 HA2 GLY 5 -0.931 -6.946 4.223 37 HA3 GLY 5 HA1 GLY 5 0.407 -8.079 4.395 38 H PHE 6 HN PHE 6 2.409 -7.589 3.231 39 HA PHE 6 HA PHE 6 3.449 -5.098 3.733 40 HB2 PHE 6 HB2 PHE 6 4.308 -7.451 2.385 41 HB3 PHE 6 HB1 PHE 6 4.698 -6.072 1.355 42 HD1 PHE 6 HD1 PHE 6 5.358 -7.746 4.544 43 HD2 PHE 6 HD2 PHE 6 6.139 -4.242 2.187 44 HE1 PHE 6 HE1 PHE 6 7.253 -7.166 6.035 45 HE2 PHE 6 HE2 PHE 6 8.035 -3.661 3.677 46 HZ PHE 6 HZ PHE 6 8.592 -5.124 5.600 47 H SER 7 HN SER 7 2.028 -6.238 0.676 48 HA SER 7 HA SER 7 2.258 -3.590 -0.507 49 HB2 SER 7 HB2 SER 7 1.410 -6.291 -1.454 50 HB3 SER 7 HB1 SER 7 0.834 -4.879 -2.331 51 HG SER 7 HG SER 7 2.931 -4.278 -2.712 52 H CYS 8 HN CYS 8 0.118 -5.140 1.547 53 HA CYS 8 HA CYS 8 -2.337 -4.015 0.519 54 HB2 CYS 8 HB2 CYS 8 -1.914 -6.138 2.058 55 HB3 CYS 8 HB1 CYS 8 -2.090 -4.945 3.344 56 HG CYS 8 HG CYS 8 -4.418 -6.112 2.219 57 H LEU 9 HN LEU 9 -0.097 -3.304 3.185 58 HA LEU 9 HA LEU 9 -1.608 -1.096 4.189 59 HB2 LEU 9 HB2 LEU 9 0.383 -0.607 5.525 60 HB3 LEU 9 HB1 LEU 9 0.025 -2.333 5.570 61 HG LEU 9 HG LEU 9 1.660 -2.100 3.347 62 HD11 LEU 9 HD11 LEU 9 2.860 -0.417 5.561 63 HD12 LEU 9 HD12 LEU 9 2.101 0.277 4.128 64 HD13 LEU 9 HD13 LEU 9 3.538 -0.731 3.964 65 HD21 LEU 9 HD21 LEU 9 2.276 -2.770 6.238 66 HD22 LEU 9 HD22 LEU 9 3.403 -3.071 4.916 67 HD23 LEU 9 HD23 LEU 9 1.843 -3.892 4.948 68 H LEU 10 HN LEU 10 0.719 -1.497 1.644 69 HA LEU 10 HA LEU 10 1.427 1.282 1.423 70 HB2 LEU 10 HB2 LEU 10 1.739 -1.046 -0.485 71 HB3 LEU 10 HB1 LEU 10 2.413 0.559 -0.757 72 HG LEU 10 HG LEU 10 3.007 -1.153 1.677 73 HD11 LEU 10 HD11 LEU 10 4.012 -1.311 -1.014 74 HD12 LEU 10 HD12 LEU 10 4.452 -2.288 0.386 75 HD13 LEU 10 HD13 LEU 10 5.305 -0.778 0.061 76 HD21 LEU 10 HD21 LEU 10 3.847 1.566 0.738 77 HD22 LEU 10 HD22 LEU 10 5.042 0.570 1.564 78 HD23 LEU 10 HD23 LEU 10 3.536 0.992 2.375 79 H LEU 11 HN LEU 11 -0.748 -0.923 -0.317 80 HA LEU 11 HA LEU 11 -1.671 0.975 -2.206 81 HB2 LEU 11 HB2 LEU 11 -2.376 -1.744 -1.363 82 HB3 LEU 11 HB1 LEU 11 -3.757 -0.795 -1.914 83 HG LEU 11 HG LEU 11 -2.588 -0.255 -3.999 84 HD11 LEU 11 HD11 LEU 11 -0.324 -1.429 -2.497 85 HD12 LEU 11 HD12 LEU 11 -0.321 -0.194 -3.757 86 HD13 LEU 11 HD13 LEU 11 -0.419 -1.900 -4.194 87 HD21 LEU 11 HD21 LEU 11 -3.508 -2.166 -4.758 88 HD22 LEU 11 HD22 LEU 11 -3.375 -2.892 -3.157 89 HD23 LEU 11 HD23 LEU 11 -2.038 -3.026 -4.300 90 H LEU 12 HN LEU 12 -2.316 0.548 1.130 91 HA LEU 12 HA LEU 12 -4.957 1.589 1.244 92 HB2 LEU 12 HB2 LEU 12 -2.858 0.841 3.122 93 HB3 LEU 12 HB1 LEU 12 -3.742 2.274 3.649 94 HG LEU 12 HG LEU 12 -5.117 -0.249 2.695 95 HD11 LEU 12 HD11 LEU 12 -4.040 0.524 5.383 96 HD12 LEU 12 HD12 LEU 12 -4.101 -1.063 4.617 97 HD13 LEU 12 HD13 LEU 12 -5.565 -0.358 5.304 98 HD21 LEU 12 HD21 LEU 12 -6.031 2.359 3.178 99 HD22 LEU 12 HD22 LEU 12 -6.486 1.454 4.621 100 HD23 LEU 12 HD23 LEU 12 -7.027 0.911 3.033 101 H THR 13 HN THR 13 -2.015 3.193 2.455 102 HA THR 13 HA THR 13 -3.141 5.787 2.364 103 HB THR 13 HB THR 13 -1.130 6.504 3.210 104 HG1 THR 13 HG1 THR 13 0.497 6.302 1.928 105 HG21 THR 13 HG21 THR 13 -0.520 3.576 3.525 106 HG22 THR 13 HG22 THR 13 -1.933 4.282 4.309 107 HG23 THR 13 HG23 THR 13 -0.319 4.881 4.694 108 H DSN 14 HN DSE 14 -1.216 3.928 0.072 109 HA DSN 14 HA DSE 14 -1.761 5.993 -1.965 110 HB2 DSN 14 HB1 DSE 14 -2.207 3.251 -2.000 111 HB3 DSN 14 HB2 DSE 14 -0.738 3.449 -2.951 112 HG DSN 14 HG DSE 14 -3.141 3.880 -3.780 113 H GLU 15 HN GLU 15 0.759 3.889 -0.647 114 HA GLU 15 HA GLU 15 2.791 5.831 -1.349 115 HB2 GLU 15 HB2 GLU 15 2.563 3.490 0.404 116 HB3 GLU 15 HB1 GLU 15 4.127 3.625 -0.399 117 HG2 GLU 15 HG2 GLU 15 2.829 5.971 0.991 118 HG3 GLU 15 HG1 GLU 15 3.887 4.848 1.841 119 H ILE 16 HN ILE 16 2.235 2.373 -2.066 120 HA ILE 16 HA ILE 16 3.956 2.674 -4.454 121 HB ILE 16 HB ILE 16 3.082 0.118 -3.093 122 HG12 ILE 16 HG12 ILE 16 4.467 1.347 -1.529 123 HG13 ILE 16 HG11 ILE 16 5.454 0.076 -2.243 124 HG21 ILE 16 HG21 ILE 16 5.083 -0.756 -4.396 125 HG22 ILE 16 HG22 ILE 16 5.086 0.781 -5.260 126 HG23 ILE 16 HG23 ILE 16 3.690 -0.292 -5.371 127 HD11 ILE 16 HD11 ILE 16 6.861 1.946 -2.374 128 HD12 ILE 16 HD12 ILE 16 5.532 3.039 -2.758 129 HD13 ILE 16 HD13 ILE 16 6.128 1.915 -3.977 130 H ASP 17 HN ASP 17 1.979 3.762 -5.369 131 HA ASP 17 HA ASP 17 0.141 1.741 -6.504 132 HB2 ASP 17 HB2 ASP 17 -1.346 3.884 -6.779 133 HB3 ASP 17 HB1 ASP 17 -1.300 3.025 -5.246 134 H LEU 18 HN LEU 18 2.747 3.409 -7.234 135 HA LEU 18 HA LEU 18 1.865 4.480 -9.810 136 HB2 LEU 18 HB2 LEU 18 4.741 4.551 -9.189 137 HB3 LEU 18 HB1 LEU 18 3.671 5.834 -9.746 138 HG LEU 18 HG LEU 18 3.833 4.780 -6.904 139 HD11 LEU 18 HD11 LEU 18 4.674 7.077 -6.442 140 HD12 LEU 18 HD12 LEU 18 4.719 7.376 -8.179 141 HD13 LEU 18 HD13 LEU 18 5.758 6.139 -7.469 142 HD21 LEU 18 HD21 LEU 18 1.860 6.399 -8.365 143 HD22 LEU 18 HD22 LEU 18 2.458 7.178 -6.900 144 HD23 LEU 18 HD23 LEU 18 1.713 5.585 -6.811 145 HA PRO 19 HA PRO 19 4.867 1.077 -11.205 146 HB2 PRO 19 HB2 PRO 19 5.652 -0.832 -9.417 147 HB3 PRO 19 HB1 PRO 19 6.517 0.696 -9.657 148 HG2 PRO 19 HG2 PRO 19 4.789 -0.158 -7.438 149 HG3 PRO 19 HG1 PRO 19 6.103 1.027 -7.462 150 HD2 PRO 19 HD2 PRO 19 3.320 1.573 -7.511 151 HD3 PRO 19 HD1 PRO 19 4.634 2.741 -7.742 152 H VAL 20 HN VAL 20 1.983 0.769 -9.681 153 HA VAL 20 HA VAL 20 1.336 -1.682 -11.147 154 HB VAL 20 HB VAL 20 0.485 -1.379 -8.267 155 HG11 VAL 20 HG11 VAL 20 0.753 -4.016 -9.570 156 HG12 VAL 20 HG12 VAL 20 -0.471 -2.968 -10.285 157 HG13 VAL 20 HG13 VAL 20 -0.555 -3.382 -8.573 158 HG21 VAL 20 HG21 VAL 20 2.867 -2.861 -9.426 159 HG22 VAL 20 HG22 VAL 20 2.243 -3.114 -7.796 160 HG23 VAL 20 HG23 VAL 20 2.911 -1.547 -8.249 161 H LYS 21 HN LYS 21 0.727 1.048 -11.660 162 HA LYS 21 HA LYS 21 -1.718 1.980 -10.738 163 HB2 LYS 21 HB2 LYS 21 -0.037 2.421 -13.104 164 HB3 LYS 21 HB1 LYS 21 -1.754 2.714 -13.386 165 HG2 LYS 21 HG2 LYS 21 -1.841 4.221 -11.454 166 HG3 LYS 21 HG1 LYS 21 -0.141 3.898 -11.107 167 HD2 LYS 21 HD2 LYS 21 0.525 4.879 -13.236 168 HD3 LYS 21 HD1 LYS 21 -1.163 5.103 -13.695 169 HE2 LYS 21 HE2 LYS 21 -1.469 6.599 -11.725 170 HE3 LYS 21 HE1 LYS 21 0.250 6.434 -11.365 171 HZ1 LYS 21 HZ1 LYS 21 -0.924 8.242 -13.084 172 HZ2 LYS 21 HZ2 LYS 21 -0.143 7.114 -14.088 173 HZ3 LYS 21 HZ3 LYS 21 0.734 7.944 -12.892 174 H ARG 22 HN ARG 22 -1.559 0.759 -14.050 175 HA ARG 22 HA ARG 22 -4.215 0.057 -14.289 176 HB2 ARG 22 HB2 ARG 22 -1.936 -0.170 -15.875 177 HB3 ARG 22 HB1 ARG 22 -2.511 -1.828 -15.700 178 HG2 ARG 22 HG2 ARG 22 -4.808 -1.032 -16.333 179 HG3 ARG 22 HG1 ARG 22 -4.114 0.555 -16.667 180 HD2 ARG 22 HD2 ARG 22 -4.298 -0.803 -18.728 181 HD3 ARG 22 HD1 ARG 22 -2.621 -0.426 -18.346 182 HE ARG 22 HE ARG 22 -3.087 -2.862 -17.146 183 HH11 ARG 22 HH11 ARG 22 -2.654 -4.826 -18.203 184 HH12 ARG 22 HH12 ARG 22 -2.633 -4.885 -19.934 185 HH21 ARG 22 HH21 ARG 22 -3.364 -1.519 -20.322 186 HH22 ARG 22 HH22 ARG 22 -3.035 -3.012 -21.134 187 H ARG 23 HN ARG 23 -5.328 -1.960 -14.219 188 HA ARG 23 HA ARG 23 -4.342 -3.711 -12.074 189 HB2 ARG 23 HB2 ARG 23 -6.569 -2.815 -11.730 190 HB3 ARG 23 HB1 ARG 23 -7.085 -3.397 -13.312 191 HG2 ARG 23 HG2 ARG 23 -7.216 -5.587 -12.619 192 HG3 ARG 23 HG1 ARG 23 -5.908 -5.404 -11.449 193 HD2 ARG 23 HD2 ARG 23 -8.602 -4.084 -11.083 194 HD3 ARG 23 HD1 ARG 23 -8.254 -5.700 -10.476 195 HE ARG 23 HE ARG 23 -6.217 -4.278 -9.435 196 HH11 ARG 23 HH11 ARG 23 -6.303 -3.089 -7.502 197 HH12 ARG 23 HH12 ARG 23 -7.816 -2.449 -6.952 198 HH21 ARG 23 HH21 ARG 23 -9.624 -3.705 -9.632 199 HH22 ARG 23 HH22 ARG 23 -9.696 -2.797 -8.158 200 H ALA 24 HN ALA 24 -3.173 -5.383 -12.783 201 HA ALA 24 HA ALA 24 -3.108 -6.441 -15.352 202 HB1 ALA 24 HB1 ALA 24 -2.092 -7.174 -12.734 203 HB2 ALA 24 HB2 ALA 24 -1.385 -7.449 -14.326 204 HB3 ALA 24 HB3 ALA 24 -2.550 -8.597 -13.668 Start of MODEL 9 1 H MET 1 HN MET 1 7.066 -9.809 -5.208 2 HA MET 1 HA MET 1 7.698 -8.426 -3.339 3 HB2 MET 1 HB2 MET 1 7.477 -6.260 -5.433 4 HB3 MET 1 HB1 MET 1 7.636 -5.916 -3.710 5 HG2 MET 1 HG2 MET 1 9.849 -5.881 -4.727 6 HG3 MET 1 HG1 MET 1 9.726 -7.293 -3.677 7 HE1 MET 1 HE1 MET 1 10.172 -9.546 -4.292 8 HE2 MET 1 HE2 MET 1 11.618 -8.618 -4.680 9 HE3 MET 1 HE3 MET 1 11.078 -9.889 -5.773 10 H ALA 2 HN ALA 2 5.578 -9.579 -3.035 11 HA ALA 2 HA ALA 2 3.599 -7.710 -2.162 12 HB1 ALA 2 HB1 ALA 2 1.828 -8.165 -3.640 13 HB2 ALA 2 HB2 ALA 2 2.672 -9.534 -4.365 14 HB3 ALA 2 HB3 ALA 2 3.220 -7.889 -4.685 15 HA PRO 3 HA PRO 3 3.496 -11.863 -0.167 16 HB2 PRO 3 HB2 PRO 3 4.113 -11.072 2.355 17 HB3 PRO 3 HB1 PRO 3 5.351 -11.365 1.120 18 HG2 PRO 3 HG2 PRO 3 4.304 -8.808 2.174 19 HG3 PRO 3 HG1 PRO 3 5.917 -9.209 1.564 20 HD2 PRO 3 HD2 PRO 3 3.888 -7.852 0.139 21 HD3 PRO 3 HD1 PRO 3 5.376 -8.534 -0.551 22 H ARG 4 HN ARG 4 1.315 -10.020 -0.779 23 HA ARG 4 HA ARG 4 -0.802 -9.406 -0.075 24 HB2 ARG 4 HB2 ARG 4 -0.431 -12.179 1.065 25 HB3 ARG 4 HB1 ARG 4 -1.979 -11.332 1.084 26 HG2 ARG 4 HG2 ARG 4 -0.553 -11.388 -1.522 27 HG3 ARG 4 HG1 ARG 4 -1.202 -12.928 -0.959 28 HD2 ARG 4 HD2 ARG 4 -3.419 -11.922 -0.683 29 HD3 ARG 4 HD1 ARG 4 -2.787 -10.354 -1.175 30 HE ARG 4 HE ARG 4 -3.443 -12.574 -2.914 31 HH11 ARG 4 HH11 ARG 4 -3.205 -12.167 -5.137 32 HH12 ARG 4 HH12 ARG 4 -2.319 -10.777 -5.667 33 HH21 ARG 4 HH21 ARG 4 -1.590 -9.688 -2.456 34 HH22 ARG 4 HH22 ARG 4 -1.404 -9.373 -4.150 35 H GLY 5 HN GLY 5 1.237 -8.334 1.582 36 HA2 GLY 5 HA2 GLY 5 -0.308 -7.979 4.045 37 HA3 GLY 5 HA1 GLY 5 1.357 -8.533 4.213 38 H PHE 6 HN PHE 6 2.902 -7.158 2.701 39 HA PHE 6 HA PHE 6 2.897 -4.516 3.754 40 HB2 PHE 6 HB2 PHE 6 4.577 -6.041 1.808 41 HB3 PHE 6 HB1 PHE 6 4.735 -4.286 1.866 42 HD1 PHE 6 HD1 PHE 6 4.543 -7.236 4.179 43 HD2 PHE 6 HD2 PHE 6 6.208 -3.347 3.423 44 HE1 PHE 6 HE1 PHE 6 5.930 -7.431 6.226 45 HE2 PHE 6 HE2 PHE 6 7.594 -3.544 5.468 46 HZ PHE 6 HZ PHE 6 7.455 -5.585 6.871 47 H SER 7 HN SER 7 2.836 -5.521 0.329 48 HA SER 7 HA SER 7 2.092 -3.090 -0.769 49 HB2 SER 7 HB2 SER 7 2.778 -4.947 -2.168 50 HB3 SER 7 HB1 SER 7 1.373 -5.886 -1.674 51 HG SER 7 HG SER 7 0.480 -4.967 -3.344 52 H CYS 8 HN CYS 8 0.306 -5.013 1.343 53 HA CYS 8 HA CYS 8 -2.320 -4.297 0.346 54 HB2 CYS 8 HB2 CYS 8 -1.466 -6.377 1.828 55 HB3 CYS 8 HB1 CYS 8 -1.999 -5.298 3.118 56 HG CYS 8 HG CYS 8 -4.384 -5.277 2.080 57 H LEU 9 HN LEU 9 -0.377 -3.487 3.234 58 HA LEU 9 HA LEU 9 -2.263 -1.425 4.009 59 HB2 LEU 9 HB2 LEU 9 -0.849 -1.095 5.929 60 HB3 LEU 9 HB1 LEU 9 -1.016 -2.831 5.670 61 HG LEU 9 HG LEU 9 1.179 -2.210 4.118 62 HD11 LEU 9 HD11 LEU 9 1.071 0.094 5.236 63 HD12 LEU 9 HD12 LEU 9 2.613 -0.753 5.354 64 HD13 LEU 9 HD13 LEU 9 1.515 -0.726 6.732 65 HD21 LEU 9 HD21 LEU 9 1.101 -3.071 7.027 66 HD22 LEU 9 HD22 LEU 9 2.461 -3.310 5.930 67 HD23 LEU 9 HD23 LEU 9 0.933 -4.137 5.633 68 H LEU 10 HN LEU 10 0.275 -1.601 1.823 69 HA LEU 10 HA LEU 10 1.132 1.170 2.188 70 HB2 LEU 10 HB2 LEU 10 1.980 -0.977 0.233 71 HB3 LEU 10 HB1 LEU 10 2.647 0.652 0.257 72 HG LEU 10 HG LEU 10 2.696 -1.262 2.610 73 HD11 LEU 10 HD11 LEU 10 5.205 -1.240 2.062 74 HD12 LEU 10 HD12 LEU 10 4.738 -0.586 0.490 75 HD13 LEU 10 HD13 LEU 10 4.168 -2.180 0.989 76 HD21 LEU 10 HD21 LEU 10 4.616 0.535 3.139 77 HD22 LEU 10 HD22 LEU 10 2.943 0.798 3.627 78 HD23 LEU 10 HD23 LEU 10 3.567 1.565 2.167 79 H LEU 11 HN LEU 11 -1.176 -0.626 0.429 80 HA LEU 11 HA LEU 11 -1.385 1.281 -1.760 81 HB2 LEU 11 HB2 LEU 11 -2.246 -1.411 -1.263 82 HB3 LEU 11 HB1 LEU 11 -3.645 -0.426 -1.689 83 HG LEU 11 HG LEU 11 -1.057 -0.488 -3.269 84 HD11 LEU 11 HD11 LEU 11 -1.824 -2.476 -4.031 85 HD12 LEU 11 HD12 LEU 11 -3.091 -1.549 -4.834 86 HD13 LEU 11 HD13 LEU 11 -3.390 -2.260 -3.248 87 HD21 LEU 11 HD21 LEU 11 -1.922 1.277 -4.372 88 HD22 LEU 11 HD22 LEU 11 -3.256 1.315 -3.219 89 HD23 LEU 11 HD23 LEU 11 -3.400 0.373 -4.703 90 H LEU 12 HN LEU 12 -2.735 0.775 1.371 91 HA LEU 12 HA LEU 12 -5.231 2.074 1.030 92 HB2 LEU 12 HB2 LEU 12 -3.500 1.329 3.337 93 HB3 LEU 12 HB1 LEU 12 -4.749 2.542 3.613 94 HG LEU 12 HG LEU 12 -5.454 0.020 2.145 95 HD11 LEU 12 HD11 LEU 12 -4.767 0.305 5.037 96 HD12 LEU 12 HD12 LEU 12 -4.607 -1.096 3.978 97 HD13 LEU 12 HD13 LEU 12 -6.187 -0.659 4.630 98 HD21 LEU 12 HD21 LEU 12 -7.152 1.360 4.206 99 HD22 LEU 12 HD22 LEU 12 -7.620 0.620 2.675 100 HD23 LEU 12 HD23 LEU 12 -6.885 2.223 2.690 101 H THR 13 HN THR 13 -1.985 3.238 1.731 102 HA THR 13 HA THR 13 -2.928 5.979 2.087 103 HB THR 13 HB THR 13 -0.837 6.450 2.948 104 HG1 THR 13 HG1 THR 13 0.984 5.688 2.102 105 HG21 THR 13 HG21 THR 13 -1.906 4.525 4.177 106 HG22 THR 13 HG22 THR 13 -0.152 4.607 4.348 107 HG23 THR 13 HG23 THR 13 -0.876 3.437 3.246 108 H DSN 14 HN DSE 14 -0.862 4.127 -0.135 109 HA DSN 14 HA DSE 14 -1.028 6.359 -2.067 110 HB2 DSN 14 HB1 DSE 14 -2.393 3.967 -2.326 111 HB3 DSN 14 HB2 DSE 14 -0.937 3.703 -3.282 112 HG DSN 14 HG DSE 14 -2.635 5.959 -3.498 113 H GLU 15 HN GLU 15 0.874 4.198 -0.339 114 HA GLU 15 HA GLU 15 3.315 5.172 -1.299 115 HB2 GLU 15 HB2 GLU 15 2.436 2.977 0.467 116 HB3 GLU 15 HB1 GLU 15 4.013 2.742 -0.288 117 HG2 GLU 15 HG2 GLU 15 3.288 5.353 1.038 118 HG3 GLU 15 HG1 GLU 15 3.941 4.007 1.968 119 H ILE 16 HN ILE 16 1.649 2.108 -2.034 120 HA ILE 16 HA ILE 16 3.500 1.709 -4.294 121 HB ILE 16 HB ILE 16 1.597 -0.252 -2.988 122 HG12 ILE 16 HG12 ILE 16 3.788 0.653 -1.782 123 HG13 ILE 16 HG11 ILE 16 3.380 -1.060 -1.739 124 HG21 ILE 16 HG21 ILE 16 3.121 -1.874 -4.319 125 HG22 ILE 16 HG22 ILE 16 3.572 -0.452 -5.261 126 HG23 ILE 16 HG23 ILE 16 1.893 -0.984 -5.216 127 HD11 ILE 16 HD11 ILE 16 5.802 -0.416 -2.384 128 HD12 ILE 16 HD12 ILE 16 5.118 0.071 -3.933 129 HD13 ILE 16 HD13 ILE 16 4.977 -1.602 -3.393 130 H ASP 17 HN ASP 17 2.281 3.456 -5.384 131 HA ASP 17 HA ASP 17 -0.189 2.417 -6.645 132 HB2 ASP 17 HB2 ASP 17 0.108 4.768 -5.182 133 HB3 ASP 17 HB1 ASP 17 0.180 5.295 -6.864 134 H LEU 18 HN LEU 18 2.726 2.169 -7.349 135 HA LEU 18 HA LEU 18 2.841 3.675 -9.859 136 HB2 LEU 18 HB2 LEU 18 5.072 1.864 -9.240 137 HB3 LEU 18 HB1 LEU 18 5.088 3.562 -9.706 138 HG LEU 18 HG LEU 18 4.447 2.500 -6.936 139 HD11 LEU 18 HD11 LEU 18 6.556 3.740 -6.362 140 HD12 LEU 18 HD12 LEU 18 6.838 3.952 -8.090 141 HD13 LEU 18 HD13 LEU 18 6.809 2.332 -7.392 142 HD21 LEU 18 HD21 LEU 18 4.934 5.227 -6.793 143 HD22 LEU 18 HD22 LEU 18 3.340 4.472 -6.745 144 HD23 LEU 18 HD23 LEU 18 3.987 5.071 -8.272 145 HA PRO 19 HA PRO 19 2.988 -0.811 -11.413 146 HB2 PRO 19 HB2 PRO 19 2.336 -2.846 -9.722 147 HB3 PRO 19 HB1 PRO 19 3.982 -2.209 -9.885 148 HG2 PRO 19 HG2 PRO 19 2.026 -1.840 -7.716 149 HG3 PRO 19 HG1 PRO 19 3.793 -1.794 -7.669 150 HD2 PRO 19 HD2 PRO 19 2.048 0.433 -7.686 151 HD3 PRO 19 HD1 PRO 19 3.810 0.470 -7.882 152 H VAL 20 HN VAL 20 0.656 0.957 -10.467 153 HA VAL 20 HA VAL 20 -1.519 -0.899 -11.234 154 HB VAL 20 HB VAL 20 -1.548 -0.014 -8.825 155 HG11 VAL 20 HG11 VAL 20 -1.896 2.228 -8.412 156 HG12 VAL 20 HG12 VAL 20 -2.709 2.496 -9.954 157 HG13 VAL 20 HG13 VAL 20 -0.951 2.366 -9.894 158 HG21 VAL 20 HG21 VAL 20 -4.076 0.905 -9.452 159 HG22 VAL 20 HG22 VAL 20 -3.643 -0.791 -9.235 160 HG23 VAL 20 HG23 VAL 20 -3.681 -0.090 -10.853 161 H LYS 21 HN LYS 21 0.259 0.818 -12.862 162 HA LYS 21 HA LYS 21 -1.548 2.911 -13.827 163 HB2 LYS 21 HB2 LYS 21 0.958 3.258 -13.496 164 HB3 LYS 21 HB1 LYS 21 1.185 2.225 -14.907 165 HG2 LYS 21 HG2 LYS 21 -0.314 3.753 -16.206 166 HG3 LYS 21 HG1 LYS 21 -0.375 4.823 -14.803 167 HD2 LYS 21 HD2 LYS 21 1.419 5.809 -15.822 168 HD3 LYS 21 HD1 LYS 21 2.308 4.505 -15.037 169 HE2 LYS 21 HE2 LYS 21 1.803 3.124 -17.154 170 HE3 LYS 21 HE1 LYS 21 1.363 4.660 -17.900 171 HZ1 LYS 21 HZ1 LYS 21 3.588 5.489 -17.146 172 HZ2 LYS 21 HZ2 LYS 21 3.632 4.305 -18.364 173 HZ3 LYS 21 HZ3 LYS 21 3.984 3.887 -16.755 174 H ARG 22 HN ARG 22 0.468 0.426 -15.417 175 HA ARG 22 HA ARG 22 -0.680 0.364 -17.886 176 HB2 ARG 22 HB2 ARG 22 1.203 -1.120 -16.813 177 HB3 ARG 22 HB1 ARG 22 -0.118 -2.257 -16.548 178 HG2 ARG 22 HG2 ARG 22 -0.681 -1.776 -19.064 179 HG3 ARG 22 HG1 ARG 22 0.992 -1.225 -19.144 180 HD2 ARG 22 HD2 ARG 22 1.594 -3.456 -18.007 181 HD3 ARG 22 HD1 ARG 22 -0.038 -3.969 -18.427 182 HE ARG 22 HE ARG 22 1.431 -2.888 -20.666 183 HH11 ARG 22 HH11 ARG 22 1.971 -4.372 -22.296 184 HH12 ARG 22 HH12 ARG 22 1.865 -6.072 -21.981 185 HH21 ARG 22 HH21 ARG 22 0.779 -5.668 -18.713 186 HH22 ARG 22 HH22 ARG 22 1.190 -6.806 -19.952 187 H ARG 23 HN ARG 23 -1.690 -1.853 -15.270 188 HA ARG 23 HA ARG 23 -4.059 -2.680 -16.590 189 HB2 ARG 23 HB2 ARG 23 -3.273 -2.790 -13.669 190 HB3 ARG 23 HB1 ARG 23 -4.685 -3.595 -14.353 191 HG2 ARG 23 HG2 ARG 23 -3.424 -5.158 -15.487 192 HG3 ARG 23 HG1 ARG 23 -2.053 -4.065 -15.681 193 HD2 ARG 23 HD2 ARG 23 -1.347 -4.388 -13.429 194 HD3 ARG 23 HD1 ARG 23 -2.871 -5.148 -12.982 195 HE ARG 23 HE ARG 23 -1.571 -6.633 -15.041 196 HH11 ARG 23 HH11 ARG 23 -0.591 -8.594 -14.448 197 HH12 ARG 23 HH12 ARG 23 -0.226 -8.907 -12.784 198 HH21 ARG 23 HH21 ARG 23 -1.477 -5.871 -11.667 199 HH22 ARG 23 HH22 ARG 23 -0.729 -7.364 -11.209 200 H ALA 24 HN ALA 24 -6.142 -1.967 -16.463 201 HA ALA 24 HA ALA 24 -6.532 0.734 -15.447 202 HB1 ALA 24 HB1 ALA 24 -8.967 -0.053 -16.414 203 HB2 ALA 24 HB2 ALA 24 -7.869 -1.043 -17.376 204 HB3 ALA 24 HB3 ALA 24 -7.708 0.713 -17.381 Start of MODEL 10 1 H MET 1 HN MET 1 8.943 -13.099 -0.235 2 HA MET 1 HA MET 1 8.541 -10.891 -1.484 3 HB2 MET 1 HB2 MET 1 9.307 -13.078 -2.580 4 HB3 MET 1 HB1 MET 1 7.619 -13.302 -3.041 5 HG2 MET 1 HG2 MET 1 7.981 -10.727 -3.811 6 HG3 MET 1 HG1 MET 1 9.610 -11.355 -4.055 7 HE1 MET 1 HE1 MET 1 9.132 -10.509 -6.412 8 HE2 MET 1 HE2 MET 1 7.384 -10.291 -6.371 9 HE3 MET 1 HE3 MET 1 8.108 -11.308 -7.614 10 H ALA 2 HN ALA 2 6.829 -9.622 -0.806 11 HA ALA 2 HA ALA 2 4.728 -8.693 -0.890 12 HB1 ALA 2 HB1 ALA 2 5.158 -9.174 -3.365 13 HB2 ALA 2 HB2 ALA 2 3.481 -8.957 -2.864 14 HB3 ALA 2 HB3 ALA 2 4.114 -10.579 -3.150 15 HA PRO 3 HA PRO 3 2.867 -12.335 1.231 16 HB2 PRO 3 HB2 PRO 3 2.707 -11.271 3.720 17 HB3 PRO 3 HB1 PRO 3 4.199 -11.993 3.090 18 HG2 PRO 3 HG2 PRO 3 3.476 -9.143 3.428 19 HG3 PRO 3 HG1 PRO 3 5.053 -9.935 3.557 20 HD2 PRO 3 HD2 PRO 3 4.113 -8.486 1.332 21 HD3 PRO 3 HD1 PRO 3 5.520 -9.570 1.348 22 H ARG 4 HN ARG 4 1.566 -10.235 -0.330 23 HA ARG 4 HA ARG 4 -0.461 -9.153 -0.572 24 HB2 ARG 4 HB2 ARG 4 -0.856 -11.865 0.355 25 HB3 ARG 4 HB1 ARG 4 -2.174 -10.832 0.901 26 HG2 ARG 4 HG2 ARG 4 -2.710 -11.742 -1.303 27 HG3 ARG 4 HG1 ARG 4 -2.453 -10.003 -1.434 28 HD2 ARG 4 HD2 ARG 4 -0.814 -10.350 -2.930 29 HD3 ARG 4 HD1 ARG 4 0.077 -11.297 -1.743 30 HE ARG 4 HE ARG 4 -2.001 -12.860 -2.906 31 HH11 ARG 4 HH11 ARG 4 -1.396 -14.444 -4.416 32 HH12 ARG 4 HH12 ARG 4 0.155 -14.356 -5.182 33 HH21 ARG 4 HH21 ARG 4 1.107 -11.466 -3.518 34 HH22 ARG 4 HH22 ARG 4 1.572 -12.670 -4.673 35 H GLY 5 HN GLY 5 1.168 -8.636 1.963 36 HA2 GLY 5 HA2 GLY 5 -1.015 -7.311 3.455 37 HA3 GLY 5 HA1 GLY 5 0.251 -8.187 4.307 38 H PHE 6 HN PHE 6 2.530 -7.467 3.774 39 HA PHE 6 HA PHE 6 3.003 -4.876 4.531 40 HB2 PHE 6 HB2 PHE 6 4.561 -7.045 3.487 41 HB3 PHE 6 HB1 PHE 6 5.091 -5.540 2.735 42 HD1 PHE 6 HD1 PHE 6 6.305 -3.905 3.963 43 HD2 PHE 6 HD2 PHE 6 4.427 -7.180 6.013 44 HE1 PHE 6 HE1 PHE 6 7.482 -3.273 6.052 45 HE2 PHE 6 HE2 PHE 6 5.606 -6.548 8.102 46 HZ PHE 6 HZ PHE 6 7.133 -4.595 8.121 47 H SER 7 HN SER 7 2.441 -6.095 1.271 48 HA SER 7 HA SER 7 2.825 -3.412 0.147 49 HB2 SER 7 HB2 SER 7 2.713 -6.176 -0.949 50 HB3 SER 7 HB1 SER 7 2.156 -4.870 -1.992 51 HG SER 7 HG SER 7 4.545 -5.512 -1.844 52 H CYS 8 HN CYS 8 0.370 -5.183 1.526 53 HA CYS 8 HA CYS 8 -1.747 -4.217 -0.242 54 HB2 CYS 8 HB2 CYS 8 -1.651 -6.524 0.970 55 HB3 CYS 8 HB1 CYS 8 -2.220 -5.617 2.371 56 HG CYS 8 HG CYS 8 -4.246 -4.799 0.748 57 H LEU 9 HN LEU 9 -0.425 -3.609 2.973 58 HA LEU 9 HA LEU 9 -2.515 -1.727 3.664 59 HB2 LEU 9 HB2 LEU 9 -1.254 -1.373 5.705 60 HB3 LEU 9 HB1 LEU 9 -1.340 -3.104 5.378 61 HG LEU 9 HG LEU 9 0.938 -2.359 4.013 62 HD11 LEU 9 HD11 LEU 9 0.654 -0.099 5.211 63 HD12 LEU 9 HD12 LEU 9 2.223 -0.886 5.372 64 HD13 LEU 9 HD13 LEU 9 1.058 -0.965 6.693 65 HD21 LEU 9 HD21 LEU 9 0.854 -4.347 5.330 66 HD22 LEU 9 HD22 LEU 9 0.498 -3.445 6.802 67 HD23 LEU 9 HD23 LEU 9 2.101 -3.348 6.074 68 H LEU 10 HN LEU 10 0.375 -1.643 1.870 69 HA LEU 10 HA LEU 10 0.881 1.190 2.345 70 HB2 LEU 10 HB2 LEU 10 2.203 -0.867 0.564 71 HB3 LEU 10 HB1 LEU 10 2.698 0.823 0.627 72 HG LEU 10 HG LEU 10 2.597 -1.031 3.029 73 HD11 LEU 10 HD11 LEU 10 5.036 -1.091 2.866 74 HD12 LEU 10 HD12 LEU 10 4.988 -0.055 1.439 75 HD13 LEU 10 HD13 LEU 10 4.325 -1.688 1.367 76 HD21 LEU 10 HD21 LEU 10 2.525 1.053 4.011 77 HD22 LEU 10 HD22 LEU 10 3.240 1.858 2.616 78 HD23 LEU 10 HD23 LEU 10 4.263 0.960 3.737 79 H LEU 11 HN LEU 11 -0.990 -0.764 0.279 80 HA LEU 11 HA LEU 11 -0.974 0.863 -2.062 81 HB2 LEU 11 HB2 LEU 11 -1.959 -1.610 -1.455 82 HB3 LEU 11 HB1 LEU 11 -3.438 -0.648 -1.483 83 HG LEU 11 HG LEU 11 -1.363 -0.773 -3.693 84 HD11 LEU 11 HD11 LEU 11 -3.559 -2.469 -3.048 85 HD12 LEU 11 HD12 LEU 11 -2.550 -2.508 -4.494 86 HD13 LEU 11 HD13 LEU 11 -4.017 -1.532 -4.470 87 HD21 LEU 11 HD21 LEU 11 -3.466 0.421 -4.832 88 HD22 LEU 11 HD22 LEU 11 -2.235 1.351 -3.979 89 HD23 LEU 11 HD23 LEU 11 -3.753 0.948 -3.174 90 H LEU 12 HN LEU 12 -2.985 0.757 0.846 91 HA LEU 12 HA LEU 12 -4.906 2.663 -0.026 92 HB2 LEU 12 HB2 LEU 12 -4.129 1.436 2.578 93 HB3 LEU 12 HB1 LEU 12 -5.086 2.917 2.619 94 HG LEU 12 HG LEU 12 -5.913 0.698 0.776 95 HD11 LEU 12 HD11 LEU 12 -5.760 -0.587 2.740 96 HD12 LEU 12 HD12 LEU 12 -7.424 -0.004 2.783 97 HD13 LEU 12 HD13 LEU 12 -6.190 0.774 3.776 98 HD21 LEU 12 HD21 LEU 12 -6.890 3.163 1.130 99 HD22 LEU 12 HD22 LEU 12 -7.752 2.364 2.444 100 HD23 LEU 12 HD23 LEU 12 -7.948 1.795 0.786 101 H THR 13 HN THR 13 -2.067 2.959 2.114 102 HA THR 13 HA THR 13 -2.202 5.664 2.678 103 HB THR 13 HB THR 13 0.245 5.563 2.991 104 HG1 THR 13 HG1 THR 13 1.185 4.306 1.599 105 HG21 THR 13 HG21 THR 13 -1.257 3.093 3.902 106 HG22 THR 13 HG22 THR 13 -1.209 4.646 4.734 107 HG23 THR 13 HG23 THR 13 0.255 3.673 4.600 108 H DSN 14 HN DSE 14 -1.447 4.102 -0.313 109 HA DSN 14 HA DSE 14 -1.085 6.740 -1.568 110 HB2 DSN 14 HB1 DSE 14 -2.808 4.838 -2.274 111 HB3 DSN 14 HB2 DSE 14 -1.412 4.251 -3.175 112 HG DSN 14 HG DSE 14 -2.856 5.873 -4.215 113 H GLU 15 HN GLU 15 0.766 4.253 -0.406 114 HA GLU 15 HA GLU 15 3.166 5.205 -1.541 115 HB2 GLU 15 HB2 GLU 15 2.357 3.136 0.326 116 HB3 GLU 15 HB1 GLU 15 3.661 2.580 -0.722 117 HG2 GLU 15 HG2 GLU 15 3.716 5.230 0.740 118 HG3 GLU 15 HG1 GLU 15 4.434 3.753 1.381 119 H ILE 16 HN ILE 16 1.577 2.044 -2.068 120 HA ILE 16 HA ILE 16 3.094 1.699 -4.539 121 HB ILE 16 HB ILE 16 1.030 -0.172 -3.375 122 HG12 ILE 16 HG12 ILE 16 3.891 0.355 -2.618 123 HG13 ILE 16 HG11 ILE 16 2.509 0.026 -1.574 124 HG21 ILE 16 HG21 ILE 16 3.508 -0.857 -4.950 125 HG22 ILE 16 HG22 ILE 16 2.023 -0.378 -5.772 126 HG23 ILE 16 HG23 ILE 16 2.037 -1.807 -4.739 127 HD11 ILE 16 HD11 ILE 16 3.708 -1.993 -1.505 128 HD12 ILE 16 HD12 ILE 16 4.129 -1.908 -3.216 129 HD13 ILE 16 HD13 ILE 16 2.481 -2.305 -2.733 130 H ASP 17 HN ASP 17 1.767 3.745 -5.211 131 HA ASP 17 HA ASP 17 -0.830 2.958 -6.357 132 HB2 ASP 17 HB2 ASP 17 -0.119 5.226 -5.007 133 HB3 ASP 17 HB1 ASP 17 0.069 5.742 -6.681 134 H LEU 18 HN LEU 18 1.699 2.022 -7.438 135 HA LEU 18 HA LEU 18 1.880 3.492 -9.977 136 HB2 LEU 18 HB2 LEU 18 3.747 1.268 -9.556 137 HB3 LEU 18 HB1 LEU 18 4.058 2.926 -10.064 138 HG LEU 18 HG LEU 18 3.538 2.013 -7.216 139 HD11 LEU 18 HD11 LEU 18 5.897 2.797 -6.900 140 HD12 LEU 18 HD12 LEU 18 6.018 2.994 -8.648 141 HD13 LEU 18 HD13 LEU 18 5.758 1.393 -7.958 142 HD21 LEU 18 HD21 LEU 18 2.925 4.163 -6.875 143 HD22 LEU 18 HD22 LEU 18 3.354 4.606 -8.528 144 HD23 LEU 18 HD23 LEU 18 4.585 4.615 -7.265 145 HA PRO 19 HA PRO 19 0.993 -0.967 -11.386 146 HB2 PRO 19 HB2 PRO 19 0.023 -2.769 -9.573 147 HB3 PRO 19 HB1 PRO 19 1.749 -2.537 -9.903 148 HG2 PRO 19 HG2 PRO 19 0.141 -1.679 -7.592 149 HG3 PRO 19 HG1 PRO 19 1.867 -2.051 -7.699 150 HD2 PRO 19 HD2 PRO 19 0.712 0.518 -7.633 151 HD3 PRO 19 HD1 PRO 19 2.400 0.138 -8.025 152 H VAL 20 HN VAL 20 -0.918 1.222 -10.051 153 HA VAL 20 HA VAL 20 -3.472 -0.170 -10.384 154 HB VAL 20 HB VAL 20 -4.383 2.134 -9.744 155 HG11 VAL 20 HG11 VAL 20 -4.409 0.478 -8.059 156 HG12 VAL 20 HG12 VAL 20 -3.532 1.818 -7.320 157 HG13 VAL 20 HG13 VAL 20 -2.649 0.431 -7.959 158 HG21 VAL 20 HG21 VAL 20 -1.843 2.834 -8.470 159 HG22 VAL 20 HG22 VAL 20 -2.961 3.855 -9.372 160 HG23 VAL 20 HG23 VAL 20 -1.757 2.893 -10.230 161 H LYS 21 HN LYS 21 -1.593 0.362 -12.615 162 HA LYS 21 HA LYS 21 -3.528 1.649 -14.408 163 HB2 LYS 21 HB2 LYS 21 -1.591 3.223 -13.555 164 HB3 LYS 21 HB1 LYS 21 -0.635 2.338 -14.744 165 HG2 LYS 21 HG2 LYS 21 -2.335 2.880 -16.477 166 HG3 LYS 21 HG1 LYS 21 -3.219 3.831 -15.283 167 HD2 LYS 21 HD2 LYS 21 -1.147 5.214 -14.948 168 HD3 LYS 21 HD1 LYS 21 -0.406 4.343 -16.290 169 HE2 LYS 21 HE2 LYS 21 -3.044 5.806 -16.539 170 HE3 LYS 21 HE1 LYS 21 -1.492 6.556 -16.909 171 HZ1 LYS 21 HZ1 LYS 21 -1.997 3.957 -18.114 172 HZ2 LYS 21 HZ2 LYS 21 -1.230 5.327 -18.762 173 HZ3 LYS 21 HZ3 LYS 21 -2.926 5.246 -18.704 174 H ARG 22 HN ARG 22 -0.877 -0.509 -13.811 175 HA ARG 22 HA ARG 22 -0.940 -1.476 -16.593 176 HB2 ARG 22 HB2 ARG 22 1.128 -1.206 -14.606 177 HB3 ARG 22 HB1 ARG 22 0.997 -2.892 -15.105 178 HG2 ARG 22 HG2 ARG 22 2.553 -1.699 -16.580 179 HG3 ARG 22 HG1 ARG 22 1.113 -2.178 -17.481 180 HD2 ARG 22 HD2 ARG 22 0.645 -0.035 -17.968 181 HD3 ARG 22 HD1 ARG 22 0.686 0.401 -16.262 182 HE ARG 22 HE ARG 22 2.814 0.770 -18.190 183 HH11 ARG 22 HH11 ARG 22 4.668 1.820 -17.402 184 HH12 ARG 22 HH12 ARG 22 4.897 1.999 -15.695 185 HH21 ARG 22 HH21 ARG 22 1.941 0.389 -14.863 186 HH22 ARG 22 HH22 ARG 22 3.353 1.189 -14.257 187 H ARG 23 HN ARG 23 -0.226 -4.057 -16.357 188 HA ARG 23 HA ARG 23 -2.657 -5.288 -15.394 189 HB2 ARG 23 HB2 ARG 23 -1.340 -5.918 -17.513 190 HB3 ARG 23 HB1 ARG 23 -0.236 -6.757 -16.422 191 HG2 ARG 23 HG2 ARG 23 -2.130 -8.061 -15.514 192 HG3 ARG 23 HG1 ARG 23 -3.223 -7.237 -16.626 193 HD2 ARG 23 HD2 ARG 23 -0.791 -8.689 -17.649 194 HD3 ARG 23 HD1 ARG 23 -2.287 -9.558 -17.323 195 HE ARG 23 HE ARG 23 -1.807 -7.692 -19.491 196 HH11 ARG 23 HH11 ARG 23 -3.512 -7.489 -20.979 197 HH12 ARG 23 HH12 ARG 23 -5.076 -8.121 -20.587 198 HH21 ARG 23 HH21 ARG 23 -4.114 -9.292 -17.468 199 HH22 ARG 23 HH22 ARG 23 -5.417 -9.142 -18.600 200 H ALA 24 HN ALA 24 0.749 -5.214 -14.463 201 HA ALA 24 HA ALA 24 -0.003 -6.339 -11.853 202 HB1 ALA 24 HB1 ALA 24 0.826 -8.275 -12.982 203 HB2 ALA 24 HB2 ALA 24 2.127 -7.716 -11.929 204 HB3 ALA 24 HB3 ALA 24 2.185 -7.378 -13.659 Start of MODEL 11 1 H MET 1 HN MET 1 1.628 -7.419 -9.091 2 HA MET 1 HA MET 1 -0.024 -8.965 -7.822 3 HB2 MET 1 HB2 MET 1 2.106 -10.943 -8.660 4 HB3 MET 1 HB1 MET 1 0.649 -11.276 -7.724 5 HG2 MET 1 HG2 MET 1 0.682 -10.249 -10.577 6 HG3 MET 1 HG1 MET 1 0.381 -11.922 -10.107 7 HE1 MET 1 HE1 MET 1 -3.010 -10.757 -11.330 8 HE2 MET 1 HE2 MET 1 -1.375 -11.199 -11.815 9 HE3 MET 1 HE3 MET 1 -1.815 -9.498 -11.672 10 H ALA 2 HN ALA 2 0.499 -9.551 -5.647 11 HA ALA 2 HA ALA 2 3.149 -9.495 -4.627 12 HB1 ALA 2 HB1 ALA 2 1.988 -7.182 -3.382 13 HB2 ALA 2 HB2 ALA 2 2.014 -6.948 -5.129 14 HB3 ALA 2 HB3 ALA 2 3.509 -7.310 -4.268 15 HA PRO 3 HA PRO 3 1.458 -11.269 -0.967 16 HB2 PRO 3 HB2 PRO 3 2.193 -8.861 0.632 17 HB3 PRO 3 HB1 PRO 3 2.568 -10.568 0.926 18 HG2 PRO 3 HG2 PRO 3 4.382 -8.835 -0.018 19 HG3 PRO 3 HG1 PRO 3 4.376 -10.550 -0.456 20 HD2 PRO 3 HD2 PRO 3 3.667 -8.201 -2.110 21 HD3 PRO 3 HD1 PRO 3 4.185 -9.825 -2.606 22 H ARG 4 HN ARG 4 0.064 -10.575 1.096 23 HA ARG 4 HA ARG 4 -2.094 -8.778 0.152 24 HB2 ARG 4 HB2 ARG 4 -2.379 -11.450 0.397 25 HB3 ARG 4 HB1 ARG 4 -2.774 -10.956 2.043 26 HG2 ARG 4 HG2 ARG 4 -4.421 -9.330 1.140 27 HG3 ARG 4 HG1 ARG 4 -4.059 -9.897 -0.491 28 HD2 ARG 4 HD2 ARG 4 -4.845 -12.127 0.049 29 HD3 ARG 4 HD1 ARG 4 -5.055 -11.686 1.742 30 HE ARG 4 HE ARG 4 -6.853 -11.062 -0.440 31 HH11 ARG 4 HH11 ARG 4 -8.765 -9.988 0.155 32 HH12 ARG 4 HH12 ARG 4 -8.894 -9.268 1.725 33 HH21 ARG 4 HH21 ARG 4 -5.710 -10.218 2.715 34 HH22 ARG 4 HH22 ARG 4 -7.165 -9.398 3.174 35 H GLY 5 HN GLY 5 0.142 -7.984 1.750 36 HA2 GLY 5 HA2 GLY 5 -1.295 -6.841 3.989 37 HA3 GLY 5 HA1 GLY 5 -0.017 -7.959 4.455 38 H PHE 6 HN PHE 6 2.172 -7.483 3.788 39 HA PHE 6 HA PHE 6 3.112 -4.991 4.359 40 HB2 PHE 6 HB2 PHE 6 4.197 -7.368 3.259 41 HB3 PHE 6 HB1 PHE 6 4.749 -6.033 2.247 42 HD1 PHE 6 HD1 PHE 6 4.610 -7.316 5.730 43 HD2 PHE 6 HD2 PHE 6 6.298 -4.398 3.067 44 HE1 PHE 6 HE1 PHE 6 6.236 -6.656 7.483 45 HE2 PHE 6 HE2 PHE 6 7.923 -3.738 4.819 46 HZ PHE 6 HZ PHE 6 7.893 -4.867 7.027 47 H SER 7 HN SER 7 2.273 -6.190 1.113 48 HA SER 7 HA SER 7 2.696 -3.549 -0.043 49 HB2 SER 7 HB2 SER 7 3.289 -5.715 -1.222 50 HB3 SER 7 HB1 SER 7 1.560 -6.003 -1.395 51 HG SER 7 HG SER 7 2.892 -4.757 -3.090 52 H CYS 8 HN CYS 8 0.235 -5.095 1.598 53 HA CYS 8 HA CYS 8 -1.988 -4.021 0.079 54 HB2 CYS 8 HB2 CYS 8 -1.867 -6.163 1.628 55 HB3 CYS 8 HB1 CYS 8 -2.281 -5.000 2.888 56 HG CYS 8 HG CYS 8 -4.576 -5.608 1.995 57 H LEU 9 HN LEU 9 -0.226 -3.246 3.044 58 HA LEU 9 HA LEU 9 -1.983 -1.071 3.753 59 HB2 LEU 9 HB2 LEU 9 -0.363 -0.618 5.521 60 HB3 LEU 9 HB1 LEU 9 -0.710 -2.346 5.455 61 HG LEU 9 HG LEU 9 1.390 -2.078 3.677 62 HD11 LEU 9 HD11 LEU 9 3.066 -0.703 4.713 63 HD12 LEU 9 HD12 LEU 9 2.044 -0.414 6.122 64 HD13 LEU 9 HD13 LEU 9 1.620 0.294 4.563 65 HD21 LEU 9 HD21 LEU 9 1.235 -3.891 5.243 66 HD22 LEU 9 HD22 LEU 9 1.308 -2.791 6.620 67 HD23 LEU 9 HD23 LEU 9 2.735 -3.043 5.615 68 H LEU 10 HN LEU 10 0.774 -1.491 1.721 69 HA LEU 10 HA LEU 10 1.534 1.305 1.716 70 HB2 LEU 10 HB2 LEU 10 2.370 -1.039 -0.006 71 HB3 LEU 10 HB1 LEU 10 3.049 0.579 -0.152 72 HG LEU 10 HG LEU 10 3.073 -1.071 2.395 73 HD11 LEU 10 HD11 LEU 10 5.451 -1.427 1.934 74 HD12 LEU 10 HD12 LEU 10 5.319 -0.504 0.438 75 HD13 LEU 10 HD13 LEU 10 4.483 -2.049 0.598 76 HD21 LEU 10 HD21 LEU 10 3.348 1.080 3.184 77 HD22 LEU 10 HD22 LEU 10 3.976 1.681 1.650 78 HD23 LEU 10 HD23 LEU 10 5.018 0.751 2.725 79 H LEU 11 HN LEU 11 -0.672 -0.745 0.037 80 HA LEU 11 HA LEU 11 -0.939 1.028 -2.254 81 HB2 LEU 11 HB2 LEU 11 -1.324 -1.630 -2.001 82 HB3 LEU 11 HB1 LEU 11 -2.974 -1.066 -1.732 83 HG LEU 11 HG LEU 11 -1.227 -0.369 -4.112 84 HD11 LEU 11 HD11 LEU 11 -3.192 -1.600 -5.276 85 HD12 LEU 11 HD12 LEU 11 -3.535 -2.262 -3.677 86 HD13 LEU 11 HD13 LEU 11 -1.981 -2.580 -4.448 87 HD21 LEU 11 HD21 LEU 11 -3.593 0.491 -4.880 88 HD22 LEU 11 HD22 LEU 11 -2.592 1.512 -3.848 89 HD23 LEU 11 HD23 LEU 11 -3.914 0.577 -3.148 90 H LEU 12 HN LEU 12 -2.671 0.230 0.712 91 HA LEU 12 HA LEU 12 -5.026 1.713 0.153 92 HB2 LEU 12 HB2 LEU 12 -3.757 0.574 2.611 93 HB3 LEU 12 HB1 LEU 12 -5.073 1.734 2.792 94 HG LEU 12 HG LEU 12 -5.417 -0.506 0.839 95 HD11 LEU 12 HD11 LEU 12 -5.751 -0.768 3.844 96 HD12 LEU 12 HD12 LEU 12 -4.560 -1.620 2.861 97 HD13 LEU 12 HD13 LEU 12 -6.279 -1.955 2.652 98 HD21 LEU 12 HD21 LEU 12 -7.429 0.528 2.818 99 HD22 LEU 12 HD22 LEU 12 -7.690 -0.099 1.190 100 HD23 LEU 12 HD23 LEU 12 -7.010 1.512 1.416 101 H THR 13 HN THR 13 -2.132 2.504 2.086 102 HA THR 13 HA THR 13 -2.864 5.114 2.792 103 HB THR 13 HB THR 13 -0.347 5.478 2.951 104 HG1 THR 13 HG1 THR 13 0.073 2.788 2.711 105 HG21 THR 13 HG21 THR 13 -0.157 3.556 4.708 106 HG22 THR 13 HG22 THR 13 -1.845 3.245 4.297 107 HG23 THR 13 HG23 THR 13 -1.370 4.813 4.951 108 H DSN 14 HN DSE 14 -0.752 4.050 0.119 109 HA DSN 14 HA DSE 14 -1.249 6.636 -1.219 110 HB2 DSN 14 HB1 DSE 14 -2.557 4.478 -2.047 111 HB3 DSN 14 HB2 DSE 14 -1.031 4.160 -2.865 112 HG DSN 14 HG DSE 14 -2.708 6.414 -3.112 113 H GLU 15 HN GLU 15 0.821 3.837 -0.738 114 HA GLU 15 HA GLU 15 3.139 5.464 -1.449 115 HB2 GLU 15 HB2 GLU 15 2.703 2.896 0.021 116 HB3 GLU 15 HB1 GLU 15 4.287 3.209 -0.692 117 HG2 GLU 15 HG2 GLU 15 4.156 4.020 1.648 118 HG3 GLU 15 HG1 GLU 15 4.436 5.337 0.511 119 H ILE 16 HN ILE 16 1.929 2.195 -2.253 120 HA ILE 16 HA ILE 16 3.493 2.311 -4.751 121 HB ILE 16 HB ILE 16 2.210 -0.040 -3.344 122 HG12 ILE 16 HG12 ILE 16 5.143 0.607 -3.736 123 HG13 ILE 16 HG11 ILE 16 4.252 1.056 -2.281 124 HG21 ILE 16 HG21 ILE 16 3.342 0.348 -6.030 125 HG22 ILE 16 HG22 ILE 16 2.331 -0.961 -5.414 126 HG23 ILE 16 HG23 ILE 16 4.073 -0.989 -5.144 127 HD11 ILE 16 HD11 ILE 16 4.160 -1.087 -1.519 128 HD12 ILE 16 HD12 ILE 16 5.540 -1.325 -2.591 129 HD13 ILE 16 HD13 ILE 16 3.917 -1.753 -3.132 130 H ASP 17 HN ASP 17 1.532 3.918 -5.163 131 HA ASP 17 HA ASP 17 -0.779 2.442 -6.227 132 HB2 ASP 17 HB2 ASP 17 -1.443 4.998 -6.661 133 HB3 ASP 17 HB1 ASP 17 -1.702 4.211 -5.106 134 H LEU 18 HN LEU 18 1.737 4.731 -7.198 135 HA LEU 18 HA LEU 18 0.973 4.388 -10.013 136 HB2 LEU 18 HB2 LEU 18 3.240 6.166 -9.408 137 HB3 LEU 18 HB1 LEU 18 1.832 6.437 -10.426 138 HG LEU 18 HG LEU 18 1.762 6.526 -7.391 139 HD11 LEU 18 HD11 LEU 18 3.161 8.321 -8.345 140 HD12 LEU 18 HD12 LEU 18 1.665 8.955 -7.657 141 HD13 LEU 18 HD13 LEU 18 1.829 8.785 -9.405 142 HD21 LEU 18 HD21 LEU 18 -0.220 7.436 -9.503 143 HD22 LEU 18 HD22 LEU 18 -0.442 7.540 -7.756 144 HD23 LEU 18 HD23 LEU 18 -0.380 5.964 -8.545 145 HA PRO 19 HA PRO 19 5.517 2.946 -9.929 146 HB2 PRO 19 HB2 PRO 19 6.416 2.139 -7.387 147 HB3 PRO 19 HB1 PRO 19 6.863 3.620 -8.246 148 HG2 PRO 19 HG2 PRO 19 5.261 3.341 -5.902 149 HG3 PRO 19 HG1 PRO 19 5.754 4.820 -6.733 150 HD2 PRO 19 HD2 PRO 19 3.159 3.497 -6.753 151 HD3 PRO 19 HD1 PRO 19 3.599 5.096 -7.379 152 H VAL 20 HN VAL 20 2.795 1.607 -9.207 153 HA VAL 20 HA VAL 20 3.686 -1.095 -8.536 154 HB VAL 20 HB VAL 20 1.611 -0.205 -7.512 155 HG11 VAL 20 HG11 VAL 20 1.090 1.112 -9.702 156 HG12 VAL 20 HG12 VAL 20 -0.258 0.438 -8.784 157 HG13 VAL 20 HG13 VAL 20 0.325 -0.387 -10.229 158 HG21 VAL 20 HG21 VAL 20 0.730 -2.295 -7.517 159 HG22 VAL 20 HG22 VAL 20 2.014 -2.710 -8.652 160 HG23 VAL 20 HG23 VAL 20 0.424 -2.243 -9.252 161 H LYS 21 HN LYS 21 4.371 0.308 -11.079 162 HA LYS 21 HA LYS 21 3.714 -1.892 -12.865 163 HB2 LYS 21 HB2 LYS 21 1.858 -0.138 -13.051 164 HB3 LYS 21 HB1 LYS 21 3.080 0.917 -13.764 165 HG2 LYS 21 HG2 LYS 21 3.576 -1.079 -15.347 166 HG3 LYS 21 HG1 LYS 21 2.012 -1.698 -14.818 167 HD2 LYS 21 HD2 LYS 21 1.076 0.619 -15.423 168 HD3 LYS 21 HD1 LYS 21 2.599 0.885 -16.271 169 HE2 LYS 21 HE2 LYS 21 2.208 -1.126 -17.633 170 HE3 LYS 21 HE1 LYS 21 0.698 -1.425 -16.772 171 HZ1 LYS 21 HZ1 LYS 21 1.043 1.216 -17.954 172 HZ2 LYS 21 HZ2 LYS 21 -0.351 0.253 -17.829 173 HZ3 LYS 21 HZ3 LYS 21 0.804 -0.072 -19.032 174 H ARG 22 HN ARG 22 5.118 1.381 -12.692 175 HA ARG 22 HA ARG 22 7.098 0.814 -14.702 176 HB2 ARG 22 HB2 ARG 22 6.224 3.115 -13.131 177 HB3 ARG 22 HB1 ARG 22 7.978 3.040 -13.306 178 HG2 ARG 22 HG2 ARG 22 7.766 2.857 -15.734 179 HG3 ARG 22 HG1 ARG 22 6.007 2.826 -15.599 180 HD2 ARG 22 HD2 ARG 22 5.974 5.070 -15.645 181 HD3 ARG 22 HD1 ARG 22 6.924 5.104 -14.162 182 HE ARG 22 HE ARG 22 8.686 4.633 -16.293 183 HH11 ARG 22 HH11 ARG 22 9.882 6.362 -17.155 184 HH12 ARG 22 HH12 ARG 22 9.334 7.988 -16.924 185 HH21 ARG 22 HH21 ARG 22 6.524 7.063 -15.112 186 HH22 ARG 22 HH22 ARG 22 7.432 8.385 -15.767 187 H ARG 23 HN ARG 23 9.074 -0.028 -14.442 188 HA ARG 23 HA ARG 23 9.965 -0.633 -11.700 189 HB2 ARG 23 HB2 ARG 23 9.703 -2.385 -13.652 190 HB3 ARG 23 HB1 ARG 23 11.282 -1.767 -14.136 191 HG2 ARG 23 HG2 ARG 23 11.991 -2.132 -11.693 192 HG3 ARG 23 HG1 ARG 23 10.517 -3.087 -11.529 193 HD2 ARG 23 HD2 ARG 23 12.276 -4.621 -12.092 194 HD3 ARG 23 HD1 ARG 23 11.282 -4.431 -13.533 195 HE ARG 23 HE ARG 23 13.435 -2.559 -13.535 196 HH11 ARG 23 HH11 ARG 23 15.156 -2.959 -14.963 197 HH12 ARG 23 HH12 ARG 23 15.370 -4.543 -15.631 198 HH21 ARG 23 HH21 ARG 23 12.632 -5.894 -13.990 199 HH22 ARG 23 HH22 ARG 23 13.941 -6.204 -15.079 200 H ALA 24 HN ALA 24 11.197 0.579 -14.815 201 HA ALA 24 HA ALA 24 13.004 1.902 -15.328 202 HB1 ALA 24 HB1 ALA 24 11.946 3.684 -14.226 203 HB2 ALA 24 HB2 ALA 24 13.541 3.631 -13.475 204 HB3 ALA 24 HB3 ALA 24 12.148 2.944 -12.638 Start of MODEL 12 1 H MET 1 HN MET 1 4.826 -7.586 -9.378 2 HA MET 1 HA MET 1 2.774 -9.462 -8.352 3 HB2 MET 1 HB2 MET 1 5.691 -9.896 -8.974 4 HB3 MET 1 HB1 MET 1 4.813 -10.956 -7.869 5 HG2 MET 1 HG2 MET 1 4.772 -11.852 -10.169 6 HG3 MET 1 HG1 MET 1 3.149 -11.422 -9.629 7 HE1 MET 1 HE1 MET 1 1.884 -11.015 -11.784 8 HE2 MET 1 HE2 MET 1 1.815 -9.305 -12.205 9 HE3 MET 1 HE3 MET 1 1.692 -9.795 -10.517 10 H ALA 2 HN ALA 2 2.251 -9.019 -6.317 11 HA ALA 2 HA ALA 2 4.371 -8.380 -4.398 12 HB1 ALA 2 HB1 ALA 2 3.800 -6.217 -4.264 13 HB2 ALA 2 HB2 ALA 2 2.208 -6.715 -3.688 14 HB3 ALA 2 HB3 ALA 2 2.482 -6.455 -5.412 15 HA PRO 3 HA PRO 3 2.035 -10.963 -1.713 16 HB2 PRO 3 HB2 PRO 3 2.302 -9.725 0.721 17 HB3 PRO 3 HB1 PRO 3 3.606 -10.635 -0.066 18 HG2 PRO 3 HG2 PRO 3 3.163 -7.699 0.076 19 HG3 PRO 3 HG1 PRO 3 4.674 -8.621 0.152 20 HD2 PRO 3 HD2 PRO 3 3.836 -7.308 -2.104 21 HD3 PRO 3 HD1 PRO 3 4.866 -8.757 -2.144 22 H ARG 4 HN ARG 4 0.493 -10.507 0.479 23 HA ARG 4 HA ARG 4 -1.636 -8.680 -0.470 24 HB2 ARG 4 HB2 ARG 4 -2.025 -11.233 -0.672 25 HB3 ARG 4 HB1 ARG 4 -2.186 -11.197 1.084 26 HG2 ARG 4 HG2 ARG 4 -4.381 -10.783 0.548 27 HG3 ARG 4 HG1 ARG 4 -3.787 -9.123 0.479 28 HD2 ARG 4 HD2 ARG 4 -3.323 -9.482 -1.975 29 HD3 ARG 4 HD1 ARG 4 -4.149 -11.032 -1.843 30 HE ARG 4 HE ARG 4 -5.384 -8.405 -1.833 31 HH11 ARG 4 HH11 ARG 4 -7.655 -8.415 -1.832 32 HH12 ARG 4 HH12 ARG 4 -8.509 -9.879 -1.479 33 HH21 ARG 4 HH21 ARG 4 -5.631 -11.760 -1.025 34 HH22 ARG 4 HH22 ARG 4 -7.363 -11.773 -1.022 35 H GLY 5 HN GLY 5 0.492 -8.061 1.386 36 HA2 GLY 5 HA2 GLY 5 -1.152 -7.161 3.612 37 HA3 GLY 5 HA1 GLY 5 0.166 -8.248 4.042 38 H PHE 6 HN PHE 6 2.360 -7.601 3.410 39 HA PHE 6 HA PHE 6 3.124 -5.122 4.306 40 HB2 PHE 6 HB2 PHE 6 4.384 -7.317 2.978 41 HB3 PHE 6 HB1 PHE 6 4.947 -5.817 2.240 42 HD1 PHE 6 HD1 PHE 6 5.245 -8.012 5.054 43 HD2 PHE 6 HD2 PHE 6 5.695 -3.918 3.836 44 HE1 PHE 6 HE1 PHE 6 6.692 -7.585 7.023 45 HE2 PHE 6 HE2 PHE 6 7.142 -3.491 5.805 46 HZ PHE 6 HZ PHE 6 7.640 -5.325 7.398 47 H SER 7 HN SER 7 2.530 -6.059 0.922 48 HA SER 7 HA SER 7 2.855 -3.311 0.025 49 HB2 SER 7 HB2 SER 7 3.681 -5.050 -1.437 50 HB3 SER 7 HB1 SER 7 2.117 -5.860 -1.429 51 HG SER 7 HG SER 7 1.634 -4.611 -3.039 52 H CYS 8 HN CYS 8 0.407 -5.085 1.425 53 HA CYS 8 HA CYS 8 -1.803 -3.995 -0.099 54 HB2 CYS 8 HB2 CYS 8 -1.605 -6.232 1.349 55 HB3 CYS 8 HB1 CYS 8 -2.217 -5.161 2.609 56 HG CYS 8 HG CYS 8 -4.091 -4.571 0.572 57 H LEU 9 HN LEU 9 -0.340 -3.474 3.098 58 HA LEU 9 HA LEU 9 -2.169 -1.427 3.881 59 HB2 LEU 9 HB2 LEU 9 -0.601 -1.009 5.706 60 HB3 LEU 9 HB1 LEU 9 -0.835 -2.744 5.501 61 HG LEU 9 HG LEU 9 1.266 -2.198 3.783 62 HD11 LEU 9 HD11 LEU 9 2.845 -0.828 4.988 63 HD12 LEU 9 HD12 LEU 9 1.752 -0.690 6.365 64 HD13 LEU 9 HD13 LEU 9 1.351 0.099 4.840 65 HD21 LEU 9 HD21 LEU 9 1.211 -3.146 6.661 66 HD22 LEU 9 HD22 LEU 9 2.646 -3.248 5.640 67 HD23 LEU 9 HD23 LEU 9 1.188 -4.141 5.204 68 H LEU 10 HN LEU 10 0.697 -1.496 1.935 69 HA LEU 10 HA LEU 10 1.273 1.321 2.150 70 HB2 LEU 10 HB2 LEU 10 2.213 -0.800 0.206 71 HB3 LEU 10 HB1 LEU 10 2.813 0.857 0.225 72 HG LEU 10 HG LEU 10 2.925 -1.038 2.594 73 HD11 LEU 10 HD11 LEU 10 4.686 -0.655 0.269 74 HD12 LEU 10 HD12 LEU 10 4.613 -1.992 1.418 75 HD13 LEU 10 HD13 LEU 10 5.516 -0.532 1.820 76 HD21 LEU 10 HD21 LEU 10 3.101 1.039 3.588 77 HD22 LEU 10 HD22 LEU 10 3.706 1.811 2.124 78 HD23 LEU 10 HD23 LEU 10 4.783 0.825 3.110 79 H LEU 11 HN LEU 11 -0.939 -0.601 0.392 80 HA LEU 11 HA LEU 11 -1.213 1.111 -1.898 81 HB2 LEU 11 HB2 LEU 11 -1.891 -1.394 -1.610 82 HB3 LEU 11 HB1 LEU 11 -3.376 -0.731 -0.929 83 HG LEU 11 HG LEU 11 -3.295 0.802 -3.091 84 HD11 LEU 11 HD11 LEU 11 -2.132 -1.671 -4.305 85 HD12 LEU 11 HD12 LEU 11 -1.022 -0.497 -3.597 86 HD13 LEU 11 HD13 LEU 11 -2.107 -0.012 -4.901 87 HD21 LEU 11 HD21 LEU 11 -4.518 -1.144 -4.304 88 HD22 LEU 11 HD22 LEU 11 -5.175 -0.592 -2.762 89 HD23 LEU 11 HD23 LEU 11 -4.205 -2.065 -2.833 90 H LEU 12 HN LEU 12 -3.519 0.394 0.740 91 HA LEU 12 HA LEU 12 -5.316 2.428 0.288 92 HB2 LEU 12 HB2 LEU 12 -4.397 1.021 2.777 93 HB3 LEU 12 HB1 LEU 12 -5.608 2.296 2.871 94 HG LEU 12 HG LEU 12 -6.537 -0.042 2.642 95 HD11 LEU 12 HD11 LEU 12 -7.571 1.090 0.186 96 HD12 LEU 12 HD12 LEU 12 -7.366 2.349 1.400 97 HD13 LEU 12 HD13 LEU 12 -8.360 0.939 1.754 98 HD21 LEU 12 HD21 LEU 12 -5.563 0.161 -0.215 99 HD22 LEU 12 HD22 LEU 12 -6.403 -1.190 0.539 100 HD23 LEU 12 HD23 LEU 12 -4.757 -0.800 1.026 101 H THR 13 HN THR 13 -2.063 2.738 1.162 102 HA THR 13 HA THR 13 -2.445 5.367 2.417 103 HB THR 13 HB THR 13 -0.010 5.245 2.855 104 HG1 THR 13 HG1 THR 13 -0.281 3.178 1.086 105 HG21 THR 13 HG21 THR 13 -1.082 4.373 4.690 106 HG22 THR 13 HG22 THR 13 -0.248 2.912 4.161 107 HG23 THR 13 HG23 THR 13 -1.944 3.160 3.742 108 H DSN 14 HN DSE 14 -1.454 3.870 -0.552 109 HA DSN 14 HA DSE 14 -1.053 6.540 -1.723 110 HB2 DSN 14 HB1 DSE 14 -1.278 4.026 -3.339 111 HB3 DSN 14 HB2 DSE 14 -1.767 5.665 -3.755 112 HG DSN 14 HG DSE 14 -2.999 4.501 -1.558 113 H GLU 15 HN GLU 15 0.866 4.493 -0.258 114 HA GLU 15 HA GLU 15 3.263 5.362 -1.327 115 HB2 GLU 15 HB2 GLU 15 2.410 3.216 0.477 116 HB3 GLU 15 HB1 GLU 15 3.894 2.845 -0.401 117 HG2 GLU 15 HG2 GLU 15 3.464 5.482 1.012 118 HG3 GLU 15 HG1 GLU 15 4.189 4.088 1.811 119 H ILE 16 HN ILE 16 1.636 2.254 -1.991 120 HA ILE 16 HA ILE 16 3.313 1.967 -4.403 121 HB ILE 16 HB ILE 16 1.654 -0.120 -2.964 122 HG12 ILE 16 HG12 ILE 16 3.846 0.923 -1.882 123 HG13 ILE 16 HG11 ILE 16 3.571 -0.816 -1.846 124 HG21 ILE 16 HG21 ILE 16 3.199 -1.624 -4.401 125 HG22 ILE 16 HG22 ILE 16 3.487 -0.172 -5.360 126 HG23 ILE 16 HG23 ILE 16 1.855 -0.820 -5.209 127 HD11 ILE 16 HD11 ILE 16 5.892 0.024 -2.634 128 HD12 ILE 16 HD12 ILE 16 5.071 0.466 -4.129 129 HD13 ILE 16 HD13 ILE 16 5.096 -1.215 -3.601 130 H ASP 17 HN ASP 17 1.872 3.630 -5.372 131 HA ASP 17 HA ASP 17 -0.750 2.553 -6.188 132 HB2 ASP 17 HB2 ASP 17 -0.067 5.051 -5.255 133 HB3 ASP 17 HB1 ASP 17 -0.090 5.292 -7.000 134 H LEU 18 HN LEU 18 1.831 1.664 -7.289 135 HA LEU 18 HA LEU 18 1.773 2.759 -10.005 136 HB2 LEU 18 HB2 LEU 18 3.688 0.601 -9.444 137 HB3 LEU 18 HB1 LEU 18 3.943 2.177 -10.187 138 HG LEU 18 HG LEU 18 3.630 1.669 -7.209 139 HD11 LEU 18 HD11 LEU 18 5.907 1.650 -9.019 140 HD12 LEU 18 HD12 LEU 18 5.820 1.181 -7.321 141 HD13 LEU 18 HD13 LEU 18 6.086 2.869 -7.758 142 HD21 LEU 18 HD21 LEU 18 3.404 4.055 -8.870 143 HD22 LEU 18 HD22 LEU 18 4.701 4.210 -7.685 144 HD23 LEU 18 HD23 LEU 18 3.057 3.856 -7.152 145 HA PRO 19 HA PRO 19 0.715 -1.793 -10.802 146 HB2 PRO 19 HB2 PRO 19 0.143 -3.454 -8.738 147 HB3 PRO 19 HB1 PRO 19 1.805 -3.129 -9.266 148 HG2 PRO 19 HG2 PRO 19 0.352 -2.144 -6.893 149 HG3 PRO 19 HG1 PRO 19 2.080 -2.443 -7.121 150 HD2 PRO 19 HD2 PRO 19 0.783 0.069 -7.220 151 HD3 PRO 19 HD1 PRO 19 2.455 -0.275 -7.697 152 H VAL 20 HN VAL 20 -1.021 0.496 -9.512 153 HA VAL 20 HA VAL 20 -3.574 -0.843 -10.037 154 HB VAL 20 HB VAL 20 -3.196 0.869 -7.576 155 HG11 VAL 20 HG11 VAL 20 -5.394 0.095 -6.998 156 HG12 VAL 20 HG12 VAL 20 -5.384 -1.096 -8.298 157 HG13 VAL 20 HG13 VAL 20 -5.477 0.623 -8.679 158 HG21 VAL 20 HG21 VAL 20 -1.873 -1.124 -7.230 159 HG22 VAL 20 HG22 VAL 20 -3.145 -2.145 -7.902 160 HG23 VAL 20 HG23 VAL 20 -3.388 -1.337 -6.354 161 H LYS 21 HN LYS 21 -2.794 0.622 -11.948 162 HA LYS 21 HA LYS 21 -4.270 3.145 -11.683 163 HB2 LYS 21 HB2 LYS 21 -1.382 2.912 -12.019 164 HB3 LYS 21 HB1 LYS 21 -2.134 3.840 -13.315 165 HG2 LYS 21 HG2 LYS 21 -3.164 5.348 -11.743 166 HG3 LYS 21 HG1 LYS 21 -2.686 4.336 -10.378 167 HD2 LYS 21 HD2 LYS 21 -1.187 6.294 -10.627 168 HD3 LYS 21 HD1 LYS 21 -0.316 4.777 -10.859 169 HE2 LYS 21 HE2 LYS 21 -1.519 6.130 -13.248 170 HE3 LYS 21 HE1 LYS 21 -0.013 6.760 -12.581 171 HZ1 LYS 21 HZ1 LYS 21 -0.413 4.470 -14.172 172 HZ2 LYS 21 HZ2 LYS 21 0.230 3.997 -12.672 173 HZ3 LYS 21 HZ3 LYS 21 1.047 5.141 -13.627 174 H ARG 22 HN ARG 22 -4.069 4.216 -14.082 175 HA ARG 22 HA ARG 22 -5.103 2.118 -15.872 176 HB2 ARG 22 HB2 ARG 22 -5.398 5.127 -16.055 177 HB3 ARG 22 HB1 ARG 22 -6.196 3.935 -17.082 178 HG2 ARG 22 HG2 ARG 22 -7.433 3.045 -15.208 179 HG3 ARG 22 HG1 ARG 22 -6.514 4.031 -14.070 180 HD2 ARG 22 HD2 ARG 22 -7.793 5.576 -16.223 181 HD3 ARG 22 HD1 ARG 22 -8.933 4.746 -15.170 182 HE ARG 22 HE ARG 22 -6.915 6.117 -13.666 183 HH11 ARG 22 HH11 ARG 22 -7.567 7.985 -12.553 184 HH12 ARG 22 HH12 ARG 22 -9.053 8.766 -12.978 185 HH21 ARG 22 HH21 ARG 22 -9.835 6.500 -15.484 186 HH22 ARG 22 HH22 ARG 22 -10.337 7.926 -14.638 187 H ARG 23 HN ARG 23 -2.274 2.428 -15.498 188 HA ARG 23 HA ARG 23 -1.529 2.970 -18.279 189 HB2 ARG 23 HB2 ARG 23 -1.130 4.998 -16.644 190 HB3 ARG 23 HB1 ARG 23 0.267 4.046 -16.140 191 HG2 ARG 23 HG2 ARG 23 1.005 3.898 -18.501 192 HG3 ARG 23 HG1 ARG 23 -0.371 4.891 -18.982 193 HD2 ARG 23 HD2 ARG 23 1.581 5.845 -16.892 194 HD3 ARG 23 HD1 ARG 23 1.901 6.078 -18.609 195 HE ARG 23 HE ARG 23 -0.607 7.068 -18.346 196 HH11 ARG 23 HH11 ARG 23 -1.086 9.204 -17.741 197 HH12 ARG 23 HH12 ARG 23 0.039 10.098 -16.774 198 HH21 ARG 23 HH21 ARG 23 2.337 7.508 -16.583 199 HH22 ARG 23 HH22 ARG 23 1.978 9.138 -16.118 200 H ALA 24 HN ALA 24 -1.789 0.661 -16.306 201 HA ALA 24 HA ALA 24 0.984 -0.291 -16.200 202 HB1 ALA 24 HB1 ALA 24 -1.578 -1.059 -14.881 203 HB2 ALA 24 HB2 ALA 24 0.030 -0.860 -14.185 204 HB3 ALA 24 HB3 ALA 24 -0.358 -2.313 -15.108 Start of MODEL 13 1 H MET 1 HN MET 1 2.789 -9.453 -7.119 2 HA MET 1 HA MET 1 0.304 -9.858 -6.334 3 HB2 MET 1 HB2 MET 1 0.168 -11.823 -7.869 4 HB3 MET 1 HB1 MET 1 1.350 -12.650 -6.854 5 HG2 MET 1 HG2 MET 1 -0.129 -12.617 -4.961 6 HG3 MET 1 HG1 MET 1 -1.253 -11.536 -5.784 7 HE1 MET 1 HE1 MET 1 -2.047 -14.971 -4.633 8 HE2 MET 1 HE2 MET 1 -3.458 -14.384 -5.511 9 HE3 MET 1 HE3 MET 1 -2.504 -13.265 -4.540 10 H ALA 2 HN ALA 2 0.629 -9.262 -4.293 11 HA ALA 2 HA ALA 2 2.857 -10.450 -2.784 12 HB1 ALA 2 HB1 ALA 2 1.740 -7.826 -2.937 13 HB2 ALA 2 HB2 ALA 2 3.138 -8.368 -2.009 14 HB3 ALA 2 HB3 ALA 2 1.528 -8.422 -1.291 15 HA PRO 3 HA PRO 3 0.190 -12.773 -0.175 16 HB2 PRO 3 HB2 PRO 3 1.315 -12.467 2.302 17 HB3 PRO 3 HB1 PRO 3 2.049 -13.442 1.015 18 HG2 PRO 3 HG2 PRO 3 2.709 -10.680 1.907 19 HG3 PRO 3 HG1 PRO 3 3.786 -11.995 1.409 20 HD2 PRO 3 HD2 PRO 3 3.115 -9.911 -0.239 21 HD3 PRO 3 HD1 PRO 3 3.541 -11.529 -0.837 22 H ARG 4 HN ARG 4 -0.622 -9.997 -0.661 23 HA ARG 4 HA ARG 4 -1.970 -8.320 0.202 24 HB2 ARG 4 HB2 ARG 4 -3.407 -10.443 -0.109 25 HB3 ARG 4 HB1 ARG 4 -3.353 -10.568 1.651 26 HG2 ARG 4 HG2 ARG 4 -4.164 -8.168 1.745 27 HG3 ARG 4 HG1 ARG 4 -4.440 -8.270 0.006 28 HD2 ARG 4 HD2 ARG 4 -5.640 -10.576 0.959 29 HD3 ARG 4 HD1 ARG 4 -6.008 -9.394 2.212 30 HE ARG 4 HE ARG 4 -6.594 -8.084 -0.120 31 HH11 ARG 4 HH11 ARG 4 -8.651 -8.146 -1.083 32 HH12 ARG 4 HH12 ARG 4 -9.703 -9.487 -0.779 33 HH21 ARG 4 HH21 ARG 4 -7.462 -11.117 1.304 34 HH22 ARG 4 HH22 ARG 4 -9.030 -11.169 0.573 35 H GLY 5 HN GLY 5 0.140 -7.948 1.605 36 HA2 GLY 5 HA2 GLY 5 -0.825 -7.497 4.327 37 HA3 GLY 5 HA1 GLY 5 0.626 -8.480 4.162 38 H PHE 6 HN PHE 6 2.478 -7.516 3.050 39 HA PHE 6 HA PHE 6 3.094 -4.940 4.022 40 HB2 PHE 6 HB2 PHE 6 4.440 -7.043 2.597 41 HB3 PHE 6 HB1 PHE 6 4.799 -5.494 1.835 42 HD1 PHE 6 HD1 PHE 6 5.904 -3.692 3.083 43 HD2 PHE 6 HD2 PHE 6 5.105 -7.503 4.896 44 HE1 PHE 6 HE1 PHE 6 7.455 -3.136 4.937 45 HE2 PHE 6 HE2 PHE 6 6.656 -6.948 6.749 46 HZ PHE 6 HZ PHE 6 7.831 -4.763 6.770 47 H SER 7 HN SER 7 2.812 -5.954 0.608 48 HA SER 7 HA SER 7 2.631 -3.295 -0.374 49 HB2 SER 7 HB2 SER 7 2.215 -6.023 -1.510 50 HB3 SER 7 HB1 SER 7 1.595 -4.641 -2.408 51 HG SER 7 HG SER 7 3.950 -3.903 -1.674 52 H CYS 8 HN CYS 8 0.469 -5.007 1.440 53 HA CYS 8 HA CYS 8 -1.961 -4.157 0.098 54 HB2 CYS 8 HB2 CYS 8 -1.675 -6.305 1.467 55 HB3 CYS 8 HB1 CYS 8 -1.761 -5.270 2.892 56 HG CYS 8 HG CYS 8 -4.161 -4.501 2.084 57 H LEU 9 HN LEU 9 -0.338 -3.426 3.198 58 HA LEU 9 HA LEU 9 -2.152 -1.321 3.868 59 HB2 LEU 9 HB2 LEU 9 -0.679 -0.858 5.709 60 HB3 LEU 9 HB1 LEU 9 -0.761 -2.610 5.521 61 HG LEU 9 HG LEU 9 1.336 -1.926 3.856 62 HD11 LEU 9 HD11 LEU 9 1.304 0.387 4.731 63 HD12 LEU 9 HD12 LEU 9 2.784 -0.451 5.197 64 HD13 LEU 9 HD13 LEU 9 1.485 -0.237 6.371 65 HD21 LEU 9 HD21 LEU 9 2.743 -2.898 5.650 66 HD22 LEU 9 HD22 LEU 9 1.254 -3.817 5.432 67 HD23 LEU 9 HD23 LEU 9 1.411 -2.701 6.789 68 H LEU 10 HN LEU 10 0.607 -1.535 1.827 69 HA LEU 10 HA LEU 10 1.412 1.204 1.931 70 HB2 LEU 10 HB2 LEU 10 1.927 -1.097 0.077 71 HB3 LEU 10 HB1 LEU 10 2.384 0.533 -0.413 72 HG LEU 10 HG LEU 10 3.159 -0.384 2.328 73 HD11 LEU 10 HD11 LEU 10 4.043 -2.260 1.293 74 HD12 LEU 10 HD12 LEU 10 5.365 -1.121 1.041 75 HD13 LEU 10 HD13 LEU 10 4.222 -1.446 -0.261 76 HD21 LEU 10 HD21 LEU 10 3.599 1.931 1.560 77 HD22 LEU 10 HD22 LEU 10 4.516 1.299 0.193 78 HD23 LEU 10 HD23 LEU 10 5.104 1.056 1.838 79 H LEU 11 HN LEU 11 -0.936 -0.622 0.068 80 HA LEU 11 HA LEU 11 -1.483 1.542 -1.770 81 HB2 LEU 11 HB2 LEU 11 -1.775 -0.796 -2.467 82 HB3 LEU 11 HB1 LEU 11 -3.007 -1.018 -1.223 83 HG LEU 11 HG LEU 11 -3.507 1.314 -2.930 84 HD11 LEU 11 HD11 LEU 11 -3.389 -1.467 -4.126 85 HD12 LEU 11 HD12 LEU 11 -2.534 -0.029 -4.682 86 HD13 LEU 11 HD13 LEU 11 -4.287 -0.133 -4.851 87 HD21 LEU 11 HD21 LEU 11 -5.758 0.371 -2.927 88 HD22 LEU 11 HD22 LEU 11 -5.098 0.281 -1.294 89 HD23 LEU 11 HD23 LEU 11 -5.147 -1.162 -2.305 90 H LEU 12 HN LEU 12 -2.577 0.537 1.349 91 HA LEU 12 HA LEU 12 -5.118 1.877 1.268 92 HB2 LEU 12 HB2 LEU 12 -3.451 0.575 3.390 93 HB3 LEU 12 HB1 LEU 12 -4.788 1.622 3.864 94 HG LEU 12 HG LEU 12 -5.274 -0.453 1.760 95 HD11 LEU 12 HD11 LEU 12 -4.381 -1.967 3.267 96 HD12 LEU 12 HD12 LEU 12 -6.025 -1.855 3.896 97 HD13 LEU 12 HD13 LEU 12 -4.725 -0.942 4.661 98 HD21 LEU 12 HD21 LEU 12 -7.494 -0.171 2.376 99 HD22 LEU 12 HD22 LEU 12 -6.863 1.426 2.779 100 HD23 LEU 12 HD23 LEU 12 -7.087 0.221 4.047 101 H THR 13 HN THR 13 -2.219 3.174 0.943 102 HA THR 13 HA THR 13 -2.989 5.640 2.359 103 HB THR 13 HB THR 13 -0.553 5.972 2.925 104 HG1 THR 13 HG1 THR 13 0.813 4.339 2.643 105 HG21 THR 13 HG21 THR 13 -2.219 5.226 4.595 106 HG22 THR 13 HG22 THR 13 -0.639 4.505 4.895 107 HG23 THR 13 HG23 THR 13 -1.914 3.550 4.138 108 H DSN 14 HN DSE 14 -1.649 4.030 -0.361 109 HA DSN 14 HA DSE 14 -1.542 6.566 -1.815 110 HB2 DSN 14 HB1 DSE 14 -0.918 4.090 -3.276 111 HB3 DSN 14 HB2 DSE 14 -2.075 5.362 -3.656 112 HG DSN 14 HG DSE 14 -3.125 3.413 -3.127 113 H GLU 15 HN GLU 15 0.497 3.645 -1.556 114 HA GLU 15 HA GLU 15 2.870 5.366 -1.982 115 HB2 GLU 15 HB2 GLU 15 2.389 3.083 -0.089 116 HB3 GLU 15 HB1 GLU 15 4.021 3.427 -0.665 117 HG2 GLU 15 HG2 GLU 15 2.413 5.739 0.307 118 HG3 GLU 15 HG1 GLU 15 3.004 4.606 1.522 119 H ILE 16 HN ILE 16 1.655 2.029 -2.234 120 HA ILE 16 HA ILE 16 3.599 1.326 -4.228 121 HB ILE 16 HB ILE 16 2.788 -0.301 -2.569 122 HG12 ILE 16 HG12 ILE 16 1.595 -1.516 -4.924 123 HG13 ILE 16 HG11 ILE 16 3.090 -0.670 -5.317 124 HG21 ILE 16 HG21 ILE 16 0.213 -0.740 -3.858 125 HG22 ILE 16 HG22 ILE 16 0.331 0.869 -3.147 126 HG23 ILE 16 HG23 ILE 16 0.588 -0.559 -2.144 127 HD11 ILE 16 HD11 ILE 16 2.766 -2.716 -3.105 128 HD12 ILE 16 HD12 ILE 16 4.259 -1.873 -3.516 129 HD13 ILE 16 HD13 ILE 16 3.545 -3.011 -4.660 130 H ASP 17 HN ASP 17 1.914 3.564 -4.883 131 HA ASP 17 HA ASP 17 0.123 2.501 -6.957 132 HB2 ASP 17 HB2 ASP 17 0.327 5.049 -5.444 133 HB3 ASP 17 HB1 ASP 17 -0.243 5.161 -7.108 134 H LEU 18 HN LEU 18 3.199 2.723 -6.934 135 HA LEU 18 HA LEU 18 3.577 4.464 -9.262 136 HB2 LEU 18 HB2 LEU 18 5.927 3.018 -8.255 137 HB3 LEU 18 HB1 LEU 18 5.713 4.730 -8.598 138 HG LEU 18 HG LEU 18 4.712 3.291 -6.121 139 HD11 LEU 18 HD11 LEU 18 6.989 5.210 -6.639 140 HD12 LEU 18 HD12 LEU 18 7.080 3.580 -5.971 141 HD13 LEU 18 HD13 LEU 18 6.359 4.881 -5.025 142 HD21 LEU 18 HD21 LEU 18 4.013 5.834 -7.378 143 HD22 LEU 18 HD22 LEU 18 4.634 6.056 -5.742 144 HD23 LEU 18 HD23 LEU 18 3.242 5.010 -6.023 145 HA PRO 19 HA PRO 19 4.874 0.256 -11.023 146 HB2 PRO 19 HB2 PRO 19 4.417 -2.021 -9.632 147 HB3 PRO 19 HB1 PRO 19 5.854 -1.017 -9.367 148 HG2 PRO 19 HG2 PRO 19 3.422 -1.303 -7.716 149 HG3 PRO 19 HG1 PRO 19 5.086 -0.946 -7.231 150 HD2 PRO 19 HD2 PRO 19 2.990 0.926 -7.512 151 HD3 PRO 19 HD1 PRO 19 4.711 1.298 -7.311 152 H VAL 20 HN VAL 20 2.116 1.454 -10.580 153 HA VAL 20 HA VAL 20 0.643 -0.612 -12.052 154 HB VAL 20 HB VAL 20 0.097 -0.747 -9.566 155 HG11 VAL 20 HG11 VAL 20 -0.883 1.016 -8.472 156 HG12 VAL 20 HG12 VAL 20 -1.664 1.625 -9.931 157 HG13 VAL 20 HG13 VAL 20 0.047 1.947 -9.646 158 HG21 VAL 20 HG21 VAL 20 -1.690 -0.573 -11.883 159 HG22 VAL 20 HG22 VAL 20 -2.518 -0.252 -10.360 160 HG23 VAL 20 HG23 VAL 20 -1.648 -1.768 -10.587 161 H LYS 21 HN LYS 21 1.900 1.898 -12.809 162 HA LYS 21 HA LYS 21 -0.439 3.163 -14.023 163 HB2 LYS 21 HB2 LYS 21 -0.180 4.537 -12.073 164 HB3 LYS 21 HB1 LYS 21 1.565 4.636 -12.306 165 HG2 LYS 21 HG2 LYS 21 1.393 6.174 -14.006 166 HG3 LYS 21 HG1 LYS 21 -0.147 5.528 -14.574 167 HD2 LYS 21 HD2 LYS 21 -1.382 6.690 -12.958 168 HD3 LYS 21 HD1 LYS 21 0.015 6.894 -11.899 169 HE2 LYS 21 HE2 LYS 21 0.967 8.564 -13.307 170 HE3 LYS 21 HE1 LYS 21 -0.132 8.178 -14.632 171 HZ1 LYS 21 HZ1 LYS 21 -0.800 9.461 -12.044 172 HZ2 LYS 21 HZ2 LYS 21 -1.976 8.869 -13.118 173 HZ3 LYS 21 HZ3 LYS 21 -0.941 10.128 -13.598 174 H ARG 22 HN ARG 22 2.902 4.300 -13.698 175 HA ARG 22 HA ARG 22 3.763 3.311 -16.237 176 HB2 ARG 22 HB2 ARG 22 2.099 5.342 -16.641 177 HB3 ARG 22 HB1 ARG 22 3.541 6.287 -16.266 178 HG2 ARG 22 HG2 ARG 22 4.798 5.020 -17.994 179 HG3 ARG 22 HG1 ARG 22 3.323 4.140 -18.398 180 HD2 ARG 22 HD2 ARG 22 2.752 6.952 -18.386 181 HD3 ARG 22 HD1 ARG 22 4.171 6.667 -19.388 182 HE ARG 22 HE ARG 22 2.371 4.734 -20.162 183 HH11 ARG 22 HH11 ARG 22 0.917 5.055 -21.877 184 HH12 ARG 22 HH12 ARG 22 0.450 6.664 -22.319 185 HH21 ARG 22 HH21 ARG 22 2.396 8.183 -19.885 186 HH22 ARG 22 HH22 ARG 22 1.287 8.435 -21.191 187 H ARG 23 HN ARG 23 5.956 3.805 -16.668 188 HA ARG 23 HA ARG 23 7.409 4.755 -14.292 189 HB2 ARG 23 HB2 ARG 23 8.158 3.015 -16.634 190 HB3 ARG 23 HB1 ARG 23 9.389 3.735 -15.597 191 HG2 ARG 23 HG2 ARG 23 7.149 2.412 -14.180 192 HG3 ARG 23 HG1 ARG 23 8.220 1.338 -15.079 193 HD2 ARG 23 HD2 ARG 23 10.154 2.158 -13.898 194 HD3 ARG 23 HD1 ARG 23 9.214 3.440 -13.142 195 HE ARG 23 HE ARG 23 8.510 1.899 -11.562 196 HH11 ARG 23 HH11 ARG 23 8.373 -0.178 -10.654 197 HH12 ARG 23 HH12 ARG 23 8.857 -1.557 -11.584 198 HH21 ARG 23 HH21 ARG 23 9.725 0.301 -14.380 199 HH22 ARG 23 HH22 ARG 23 9.622 -1.286 -13.693 200 H ALA 24 HN ALA 24 9.038 6.315 -14.440 201 HA ALA 24 HA ALA 24 10.047 8.236 -15.194 202 HB1 ALA 24 HB1 ALA 24 11.000 8.126 -17.265 203 HB2 ALA 24 HB2 ALA 24 9.496 7.640 -18.048 204 HB3 ALA 24 HB3 ALA 24 10.458 6.451 -17.168 Start of MODEL 14 1 H MET 1 HN MET 1 7.449 -12.333 -0.243 2 HA MET 1 HA MET 1 7.854 -9.721 -1.581 3 HB2 MET 1 HB2 MET 1 7.080 -11.250 -3.629 4 HB3 MET 1 HB1 MET 1 8.769 -11.148 -3.130 5 HG2 MET 1 HG2 MET 1 8.706 -13.220 -2.035 6 HG3 MET 1 HG1 MET 1 6.949 -13.194 -1.883 7 HE1 MET 1 HE1 MET 1 6.533 -15.821 -3.193 8 HE2 MET 1 HE2 MET 1 8.074 -15.531 -2.390 9 HE3 MET 1 HE3 MET 1 8.049 -16.242 -4.003 10 H ALA 2 HN ALA 2 6.066 -8.682 -0.705 11 HA ALA 2 HA ALA 2 3.840 -8.181 -0.347 12 HB1 ALA 2 HB1 ALA 2 3.821 -9.331 -3.134 13 HB2 ALA 2 HB2 ALA 2 3.939 -7.635 -2.669 14 HB3 ALA 2 HB3 ALA 2 2.436 -8.519 -2.408 15 HA PRO 3 HA PRO 3 2.573 -12.497 0.688 16 HB2 PRO 3 HB2 PRO 3 2.720 -12.298 3.387 17 HB3 PRO 3 HB1 PRO 3 4.144 -12.635 2.384 18 HG2 PRO 3 HG2 PRO 3 3.325 -10.122 3.718 19 HG3 PRO 3 HG1 PRO 3 4.945 -10.759 3.396 20 HD2 PRO 3 HD2 PRO 3 3.619 -8.778 1.888 21 HD3 PRO 3 HD1 PRO 3 5.073 -9.667 1.390 22 H ARG 4 HN ARG 4 0.967 -10.151 0.049 23 HA ARG 4 HA ARG 4 -1.212 -9.443 0.223 24 HB2 ARG 4 HB2 ARG 4 -1.433 -12.053 0.430 25 HB3 ARG 4 HB1 ARG 4 -1.824 -11.687 2.111 26 HG2 ARG 4 HG2 ARG 4 -3.507 -9.987 1.192 27 HG3 ARG 4 HG1 ARG 4 -3.266 -10.757 -0.377 28 HD2 ARG 4 HD2 ARG 4 -4.314 -12.030 2.159 29 HD3 ARG 4 HD1 ARG 4 -5.163 -11.826 0.629 30 HE ARG 4 HE ARG 4 -3.368 -13.953 1.299 31 HH11 ARG 4 HH11 ARG 4 -2.889 -15.444 -0.346 32 HH12 ARG 4 HH12 ARG 4 -3.210 -15.037 -1.998 33 HH21 ARG 4 HH21 ARG 4 -4.466 -11.891 -1.254 34 HH22 ARG 4 HH22 ARG 4 -4.103 -13.025 -2.512 35 H GLY 5 HN GLY 5 0.759 -8.430 2.046 36 HA2 GLY 5 HA2 GLY 5 -1.039 -7.372 4.082 37 HA3 GLY 5 HA1 GLY 5 0.359 -8.259 4.683 38 H PHE 6 HN PHE 6 2.502 -7.492 4.036 39 HA PHE 6 HA PHE 6 2.998 -4.851 4.576 40 HB2 PHE 6 HB2 PHE 6 4.508 -7.079 3.622 41 HB3 PHE 6 HB1 PHE 6 4.953 -5.661 2.672 42 HD1 PHE 6 HD1 PHE 6 4.536 -6.904 6.165 43 HD2 PHE 6 HD2 PHE 6 6.283 -3.933 3.600 44 HE1 PHE 6 HE1 PHE 6 5.867 -6.040 8.071 45 HE2 PHE 6 HE2 PHE 6 7.614 -3.070 5.507 46 HZ PHE 6 HZ PHE 6 7.406 -4.125 7.743 47 H SER 7 HN SER 7 2.883 -6.277 1.303 48 HA SER 7 HA SER 7 2.856 -3.656 0.070 49 HB2 SER 7 HB2 SER 7 3.943 -5.756 -0.902 50 HB3 SER 7 HB1 SER 7 2.312 -6.294 -1.290 51 HG SER 7 HG SER 7 3.755 -4.073 -2.250 52 H CYS 8 HN CYS 8 0.594 -4.989 1.815 53 HA CYS 8 HA CYS 8 -1.634 -4.539 -0.066 54 HB2 CYS 8 HB2 CYS 8 -1.197 -6.556 1.797 55 HB3 CYS 8 HB1 CYS 8 -2.368 -5.497 2.584 56 HG CYS 8 HG CYS 8 -3.486 -5.777 -0.068 57 H LEU 9 HN LEU 9 -0.270 -3.511 3.018 58 HA LEU 9 HA LEU 9 -2.433 -1.668 3.566 59 HB2 LEU 9 HB2 LEU 9 -1.092 -1.005 5.498 60 HB3 LEU 9 HB1 LEU 9 -1.174 -2.765 5.393 61 HG LEU 9 HG LEU 9 1.043 -2.136 3.844 62 HD11 LEU 9 HD11 LEU 9 2.392 -0.612 5.159 63 HD12 LEU 9 HD12 LEU 9 1.127 -0.477 6.380 64 HD13 LEU 9 HD13 LEU 9 0.874 0.199 4.770 65 HD21 LEU 9 HD21 LEU 9 0.784 -2.955 6.751 66 HD22 LEU 9 HD22 LEU 9 2.303 -3.012 5.857 67 HD23 LEU 9 HD23 LEU 9 0.946 -4.019 5.354 68 H LEU 10 HN LEU 10 0.484 -1.625 1.760 69 HA LEU 10 HA LEU 10 0.917 1.226 1.913 70 HB2 LEU 10 HB2 LEU 10 2.035 -0.890 0.057 71 HB3 LEU 10 HB1 LEU 10 2.568 0.787 0.092 72 HG LEU 10 HG LEU 10 2.646 -1.095 2.470 73 HD11 LEU 10 HD11 LEU 10 5.225 -0.627 1.950 74 HD12 LEU 10 HD12 LEU 10 4.602 -0.451 0.310 75 HD13 LEU 10 HD13 LEU 10 4.356 -1.960 1.189 76 HD21 LEU 10 HD21 LEU 10 3.315 1.790 2.036 77 HD22 LEU 10 HD22 LEU 10 4.375 0.855 3.088 78 HD23 LEU 10 HD23 LEU 10 2.658 0.991 3.465 79 H LEU 11 HN LEU 11 -1.170 -0.839 0.208 80 HA LEU 11 HA LEU 11 -1.460 0.814 -2.148 81 HB2 LEU 11 HB2 LEU 11 -1.886 -1.734 -1.930 82 HB3 LEU 11 HB1 LEU 11 -3.437 -1.264 -1.234 83 HG LEU 11 HG LEU 11 -3.357 0.348 -3.436 84 HD11 LEU 11 HD11 LEU 11 -2.280 -2.294 -4.416 85 HD12 LEU 11 HD12 LEU 11 -1.196 -0.956 -4.036 86 HD13 LEU 11 HD13 LEU 11 -2.419 -0.771 -5.292 87 HD21 LEU 11 HD21 LEU 11 -4.761 -1.551 -4.497 88 HD22 LEU 11 HD22 LEU 11 -5.304 -0.910 -2.945 89 HD23 LEU 11 HD23 LEU 11 -4.433 -2.442 -3.011 90 H LEU 12 HN LEU 12 -2.394 1.133 1.019 91 HA LEU 12 HA LEU 12 -4.897 2.538 0.362 92 HB2 LEU 12 HB2 LEU 12 -5.679 1.587 2.233 93 HB3 LEU 12 HB1 LEU 12 -4.123 0.812 2.488 94 HG LEU 12 HG LEU 12 -3.343 2.896 3.676 95 HD11 LEU 12 HD11 LEU 12 -5.826 3.895 2.607 96 HD12 LEU 12 HD12 LEU 12 -4.596 4.773 3.517 97 HD13 LEU 12 HD13 LEU 12 -5.903 3.949 4.368 98 HD21 LEU 12 HD21 LEU 12 -4.146 0.994 4.955 99 HD22 LEU 12 HD22 LEU 12 -5.820 1.494 4.714 100 HD23 LEU 12 HD23 LEU 12 -4.741 2.476 5.705 101 H THR 13 HN THR 13 -1.733 2.938 1.854 102 HA THR 13 HA THR 13 -2.150 5.650 2.665 103 HB THR 13 HB THR 13 0.189 5.656 3.202 104 HG1 THR 13 HG1 THR 13 1.104 3.374 2.406 105 HG21 THR 13 HG21 THR 13 0.386 3.550 4.501 106 HG22 THR 13 HG22 THR 13 -0.985 2.890 3.610 107 HG23 THR 13 HG23 THR 13 -1.210 4.281 4.670 108 H DSN 14 HN DSE 14 -1.623 4.189 -0.344 109 HA DSN 14 HA DSE 14 -1.227 6.808 -1.580 110 HB2 DSN 14 HB1 DSE 14 -2.886 4.866 -2.291 111 HB3 DSN 14 HB2 DSE 14 -1.473 4.296 -3.174 112 HG DSN 14 HG DSE 14 -2.481 5.683 -4.531 113 H GLU 15 HN GLU 15 0.632 4.143 -0.619 114 HA GLU 15 HA GLU 15 3.039 5.263 -1.666 115 HB2 GLU 15 HB2 GLU 15 2.272 3.106 0.127 116 HB3 GLU 15 HB1 GLU 15 3.608 2.638 -0.927 117 HG2 GLU 15 HG2 GLU 15 3.556 5.240 0.619 118 HG3 GLU 15 HG1 GLU 15 4.295 3.765 1.239 119 H ILE 16 HN ILE 16 1.605 2.037 -2.251 120 HA ILE 16 HA ILE 16 3.145 1.692 -4.662 121 HB ILE 16 HB ILE 16 0.851 0.074 -3.528 122 HG12 ILE 16 HG12 ILE 16 3.824 -0.507 -3.491 123 HG13 ILE 16 HG11 ILE 16 2.989 0.290 -2.158 124 HG21 ILE 16 HG21 ILE 16 2.338 -0.056 -6.040 125 HG22 ILE 16 HG22 ILE 16 0.885 -0.930 -5.554 126 HG23 ILE 16 HG23 ILE 16 2.476 -1.547 -5.107 127 HD11 ILE 16 HD11 ILE 16 3.081 -2.082 -1.677 128 HD12 ILE 16 HD12 ILE 16 2.422 -2.472 -3.265 129 HD13 ILE 16 HD13 ILE 16 1.412 -1.665 -2.066 130 H ASP 17 HN ASP 17 1.843 4.011 -5.028 131 HA ASP 17 HA ASP 17 -0.536 3.433 -6.661 132 HB2 ASP 17 HB2 ASP 17 -0.225 5.369 -4.847 133 HB3 ASP 17 HB1 ASP 17 0.432 6.216 -6.245 134 H LEU 18 HN LEU 18 2.322 2.866 -7.405 135 HA LEU 18 HA LEU 18 2.695 4.698 -9.661 136 HB2 LEU 18 HB2 LEU 18 4.631 2.507 -9.339 137 HB3 LEU 18 HB1 LEU 18 4.899 4.234 -9.555 138 HG LEU 18 HG LEU 18 4.070 2.898 -6.958 139 HD11 LEU 18 HD11 LEU 18 6.387 3.914 -6.327 140 HD12 LEU 18 HD12 LEU 18 6.678 3.892 -8.066 141 HD13 LEU 18 HD13 LEU 18 6.334 2.389 -7.211 142 HD21 LEU 18 HD21 LEU 18 5.012 5.486 -6.485 143 HD22 LEU 18 HD22 LEU 18 3.326 4.968 -6.429 144 HD23 LEU 18 HD23 LEU 18 3.989 5.654 -7.913 145 HA PRO 19 HA PRO 19 2.153 0.549 -11.886 146 HB2 PRO 19 HB2 PRO 19 1.364 -1.654 -10.526 147 HB3 PRO 19 HB1 PRO 19 3.060 -1.137 -10.591 148 HG2 PRO 19 HG2 PRO 19 1.106 -0.927 -8.386 149 HG3 PRO 19 HG1 PRO 19 2.866 -1.098 -8.329 150 HD2 PRO 19 HD2 PRO 19 1.394 1.300 -7.996 151 HD3 PRO 19 HD1 PRO 19 3.151 1.155 -8.188 152 H VAL 20 HN VAL 20 -0.187 0.486 -9.188 153 HA VAL 20 HA VAL 20 -2.407 -0.209 -10.853 154 HB VAL 20 HB VAL 20 -3.744 0.356 -8.810 155 HG11 VAL 20 HG11 VAL 20 -2.686 -1.888 -9.211 156 HG12 VAL 20 HG12 VAL 20 -2.891 -1.501 -7.502 157 HG13 VAL 20 HG13 VAL 20 -1.303 -1.353 -8.256 158 HG21 VAL 20 HG21 VAL 20 -1.514 0.560 -7.003 159 HG22 VAL 20 HG22 VAL 20 -2.857 1.683 -7.220 160 HG23 VAL 20 HG23 VAL 20 -1.403 1.846 -8.205 161 H LYS 21 HN LYS 21 -1.031 2.050 -11.893 162 HA LYS 21 HA LYS 21 -2.724 4.358 -11.293 163 HB2 LYS 21 HB2 LYS 21 -0.374 4.833 -11.536 164 HB3 LYS 21 HB1 LYS 21 -0.319 4.006 -13.093 165 HG2 LYS 21 HG2 LYS 21 -1.623 5.681 -14.153 166 HG3 LYS 21 HG1 LYS 21 -2.156 6.354 -12.612 167 HD2 LYS 21 HD2 LYS 21 0.105 7.138 -12.128 168 HD3 LYS 21 HD1 LYS 21 0.710 6.381 -13.603 169 HE2 LYS 21 HE2 LYS 21 -0.893 7.830 -14.905 170 HE3 LYS 21 HE1 LYS 21 -1.257 8.677 -13.402 171 HZ1 LYS 21 HZ1 LYS 21 0.427 9.954 -14.236 172 HZ2 LYS 21 HZ2 LYS 21 1.225 8.646 -14.969 173 HZ3 LYS 21 HZ3 LYS 21 1.322 8.871 -13.288 174 H ARG 22 HN ARG 22 -1.501 3.315 -14.448 175 HA ARG 22 HA ARG 22 -2.552 2.987 -16.465 176 HB2 ARG 22 HB2 ARG 22 -3.886 1.383 -14.858 177 HB3 ARG 22 HB1 ARG 22 -5.177 2.563 -15.091 178 HG2 ARG 22 HG2 ARG 22 -5.590 1.143 -16.878 179 HG3 ARG 22 HG1 ARG 22 -4.507 2.308 -17.641 180 HD2 ARG 22 HD2 ARG 22 -3.447 0.350 -18.252 181 HD3 ARG 22 HD1 ARG 22 -2.645 0.650 -16.713 182 HE ARG 22 HE ARG 22 -5.057 -0.970 -16.552 183 HH11 ARG 22 HH11 ARG 22 -4.724 -3.091 -15.812 184 HH12 ARG 22 HH12 ARG 22 -3.116 -3.729 -15.721 185 HH21 ARG 22 HH21 ARG 22 -1.617 -0.833 -16.901 186 HH22 ARG 22 HH22 ARG 22 -1.357 -2.450 -16.338 187 H ARG 23 HN ARG 23 -5.512 3.563 -16.738 188 HA ARG 23 HA ARG 23 -5.206 6.392 -17.335 189 HB2 ARG 23 HB2 ARG 23 -7.443 4.420 -17.845 190 HB3 ARG 23 HB1 ARG 23 -7.501 6.117 -18.326 191 HG2 ARG 23 HG2 ARG 23 -6.084 5.790 -20.067 192 HG3 ARG 23 HG1 ARG 23 -5.021 4.750 -19.119 193 HD2 ARG 23 HD2 ARG 23 -6.470 2.849 -19.450 194 HD3 ARG 23 HD1 ARG 23 -7.707 3.858 -20.194 195 HE ARG 23 HE ARG 23 -5.316 4.119 -21.671 196 HH11 ARG 23 HH11 ARG 23 -5.107 2.971 -23.619 197 HH12 ARG 23 HH12 ARG 23 -6.109 1.589 -23.916 198 HH21 ARG 23 HH21 ARG 23 -7.775 1.815 -20.882 199 HH22 ARG 23 HH22 ARG 23 -7.619 0.935 -22.366 200 H ALA 24 HN ALA 24 -8.411 5.749 -16.722 201 HA ALA 24 HA ALA 24 -8.312 7.315 -14.236 202 HB1 ALA 24 HB1 ALA 24 -10.765 6.626 -15.855 203 HB2 ALA 24 HB2 ALA 24 -9.744 8.015 -16.225 204 HB3 ALA 24 HB3 ALA 24 -10.571 7.919 -14.670 Start of MODEL 15 1 H MET 1 HN MET 1 7.389 -9.091 -6.547 2 HA MET 1 HA MET 1 4.649 -8.667 -7.162 3 HB2 MET 1 HB2 MET 1 5.923 -10.655 -5.265 4 HB3 MET 1 HB1 MET 1 4.258 -10.722 -5.845 5 HG2 MET 1 HG2 MET 1 4.879 -11.340 -7.981 6 HG3 MET 1 HG1 MET 1 6.428 -10.502 -7.886 7 HE1 MET 1 HE1 MET 1 5.314 -14.604 -6.160 8 HE2 MET 1 HE2 MET 1 4.458 -13.735 -7.432 9 HE3 MET 1 HE3 MET 1 4.458 -13.101 -5.788 10 H ALA 2 HN ALA 2 2.868 -8.637 -5.592 11 HA ALA 2 HA ALA 2 3.546 -7.371 -3.021 12 HB1 ALA 2 HB1 ALA 2 2.064 -6.172 -5.262 13 HB2 ALA 2 HB2 ALA 2 2.932 -5.403 -3.931 14 HB3 ALA 2 HB3 ALA 2 1.299 -6.023 -3.679 15 HA PRO 3 HA PRO 3 0.518 -10.775 -2.279 16 HB2 PRO 3 HB2 PRO 3 1.230 -10.086 0.524 17 HB3 PRO 3 HB1 PRO 3 1.194 -11.668 -0.274 18 HG2 PRO 3 HG2 PRO 3 3.486 -10.427 0.317 19 HG3 PRO 3 HG1 PRO 3 3.301 -11.438 -1.127 20 HD2 PRO 3 HD2 PRO 3 3.412 -8.460 -0.918 21 HD3 PRO 3 HD1 PRO 3 3.961 -9.524 -2.231 22 H ARG 4 HN ARG 4 -0.718 -10.401 0.345 23 HA ARG 4 HA ARG 4 -2.412 -8.038 -0.201 24 HB2 ARG 4 HB2 ARG 4 -3.239 -10.700 0.986 25 HB3 ARG 4 HB1 ARG 4 -4.294 -9.305 0.749 26 HG2 ARG 4 HG2 ARG 4 -3.568 -9.422 -1.730 27 HG3 ARG 4 HG1 ARG 4 -2.986 -11.042 -1.344 28 HD2 ARG 4 HD2 ARG 4 -5.118 -11.657 -1.863 29 HD3 ARG 4 HD1 ARG 4 -5.456 -11.131 -0.216 30 HE ARG 4 HE ARG 4 -6.595 -9.301 -1.090 31 HH11 ARG 4 HH11 ARG 4 -7.436 -8.069 -2.803 32 HH12 ARG 4 HH12 ARG 4 -6.857 -8.327 -4.414 33 HH21 ARG 4 HH21 ARG 4 -4.631 -10.824 -3.498 34 HH22 ARG 4 HH22 ARG 4 -5.269 -9.887 -4.808 35 H GLY 5 HN GLY 5 -0.147 -7.774 1.359 36 HA2 GLY 5 HA2 GLY 5 -1.332 -7.000 3.897 37 HA3 GLY 5 HA1 GLY 5 -0.067 -8.221 4.007 38 H PHE 6 HN PHE 6 2.075 -7.678 3.364 39 HA PHE 6 HA PHE 6 3.101 -5.298 4.231 40 HB2 PHE 6 HB2 PHE 6 4.089 -7.556 2.832 41 HB3 PHE 6 HB1 PHE 6 4.657 -6.127 1.968 42 HD1 PHE 6 HD1 PHE 6 4.626 -7.871 5.234 43 HD2 PHE 6 HD2 PHE 6 6.209 -4.577 2.976 44 HE1 PHE 6 HE1 PHE 6 6.312 -7.466 7.006 45 HE2 PHE 6 HE2 PHE 6 7.895 -4.172 4.749 46 HZ PHE 6 HZ PHE 6 7.946 -5.616 6.764 47 H SER 7 HN SER 7 2.197 -6.079 0.874 48 HA SER 7 HA SER 7 2.706 -3.365 -0.005 49 HB2 SER 7 HB2 SER 7 3.167 -5.054 -1.617 50 HB3 SER 7 HB1 SER 7 1.604 -5.826 -1.360 51 HG SER 7 HG SER 7 1.676 -3.137 -2.138 52 H CYS 8 HN CYS 8 0.119 -5.064 1.411 53 HA CYS 8 HA CYS 8 -2.042 -3.601 0.216 54 HB2 CYS 8 HB2 CYS 8 -2.171 -5.885 1.361 55 HB3 CYS 8 HB1 CYS 8 -2.118 -5.001 2.886 56 HG CYS 8 HG CYS 8 -4.523 -5.162 1.023 57 H LEU 9 HN LEU 9 -0.366 -3.428 3.359 58 HA LEU 9 HA LEU 9 -1.842 -1.170 4.285 59 HB2 LEU 9 HB2 LEU 9 -0.205 -1.069 6.073 60 HB3 LEU 9 HB1 LEU 9 -0.633 -2.755 5.780 61 HG LEU 9 HG LEU 9 1.467 -2.347 4.029 62 HD11 LEU 9 HD11 LEU 9 1.845 -0.131 5.177 63 HD12 LEU 9 HD12 LEU 9 3.224 -1.227 5.263 64 HD13 LEU 9 HD13 LEU 9 2.172 -1.021 6.663 65 HD21 LEU 9 HD21 LEU 9 1.258 -4.344 5.327 66 HD22 LEU 9 HD22 LEU 9 1.349 -3.450 6.845 67 HD23 LEU 9 HD23 LEU 9 2.780 -3.606 5.826 68 H LEU 10 HN LEU 10 0.721 -1.524 2.049 69 HA LEU 10 HA LEU 10 1.687 1.209 2.393 70 HB2 LEU 10 HB2 LEU 10 2.467 -1.035 0.519 71 HB3 LEU 10 HB1 LEU 10 3.186 0.569 0.454 72 HG LEU 10 HG LEU 10 3.172 -1.201 2.915 73 HD11 LEU 10 HD11 LEU 10 5.482 -0.577 1.061 74 HD12 LEU 10 HD12 LEU 10 4.544 -2.069 0.983 75 HD13 LEU 10 HD13 LEU 10 5.483 -1.690 2.428 76 HD21 LEU 10 HD21 LEU 10 5.216 0.608 3.188 77 HD22 LEU 10 HD22 LEU 10 3.612 0.811 3.891 78 HD23 LEU 10 HD23 LEU 10 4.004 1.581 2.355 79 H LEU 11 HN LEU 11 -0.286 -0.722 0.227 80 HA LEU 11 HA LEU 11 -0.559 1.356 -1.757 81 HB2 LEU 11 HB2 LEU 11 -0.734 -1.015 -2.381 82 HB3 LEU 11 HB1 LEU 11 -2.143 -1.192 -1.335 83 HG LEU 11 HG LEU 11 -2.397 1.061 -3.185 84 HD11 LEU 11 HD11 LEU 11 -2.087 -1.750 -4.281 85 HD12 LEU 11 HD12 LEU 11 -1.094 -0.348 -4.681 86 HD13 LEU 11 HD13 LEU 11 -2.784 -0.403 -5.181 87 HD21 LEU 11 HD21 LEU 11 -4.198 -0.008 -1.785 88 HD22 LEU 11 HD22 LEU 11 -4.072 -1.439 -2.806 89 HD23 LEU 11 HD23 LEU 11 -4.600 0.094 -3.499 90 H LEU 12 HN LEU 12 -2.691 -0.089 0.710 91 HA LEU 12 HA LEU 12 -5.000 1.328 0.347 92 HB2 LEU 12 HB2 LEU 12 -3.619 0.265 2.770 93 HB3 LEU 12 HB1 LEU 12 -5.012 1.322 3.002 94 HG LEU 12 HG LEU 12 -5.209 -0.917 1.018 95 HD11 LEU 12 HD11 LEU 12 -5.320 -1.157 4.031 96 HD12 LEU 12 HD12 LEU 12 -4.382 -2.129 2.898 97 HD13 LEU 12 HD13 LEU 12 -6.136 -2.302 2.965 98 HD21 LEU 12 HD21 LEU 12 -7.325 -0.088 2.967 99 HD22 LEU 12 HD22 LEU 12 -7.490 -0.606 1.289 100 HD23 LEU 12 HD23 LEU 12 -6.925 1.024 1.657 101 H THR 13 HN THR 13 -1.932 2.560 1.330 102 HA THR 13 HA THR 13 -3.048 5.058 2.353 103 HB THR 13 HB THR 13 -0.634 5.661 2.668 104 HG1 THR 13 HG1 THR 13 0.182 3.081 2.330 105 HG21 THR 13 HG21 THR 13 -0.309 4.184 4.545 106 HG22 THR 13 HG22 THR 13 -1.355 2.959 3.828 107 HG23 THR 13 HG23 THR 13 -2.040 4.481 4.399 108 H DSN 14 HN DSE 14 -0.969 3.958 -0.317 109 HA DSN 14 HA DSE 14 -1.391 6.546 -1.663 110 HB2 DSN 14 HB1 DSE 14 -1.565 3.965 -3.193 111 HB3 DSN 14 HB2 DSE 14 -2.149 5.564 -3.650 112 HG DSN 14 HG DSE 14 -3.970 4.984 -2.834 113 H GLU 15 HN GLU 15 0.681 4.088 -0.687 114 HA GLU 15 HA GLU 15 2.955 5.346 -1.879 115 HB2 GLU 15 HB2 GLU 15 2.830 2.630 -0.562 116 HB3 GLU 15 HB1 GLU 15 4.254 3.644 -0.774 117 HG2 GLU 15 HG2 GLU 15 2.301 5.240 0.525 118 HG3 GLU 15 HG1 GLU 15 2.327 3.688 1.359 119 H ILE 16 HN ILE 16 1.803 1.968 -2.195 120 HA ILE 16 HA ILE 16 3.290 1.584 -4.624 121 HB ILE 16 HB ILE 16 1.029 -0.162 -3.669 122 HG12 ILE 16 HG12 ILE 16 2.359 0.183 -1.698 123 HG13 ILE 16 HG11 ILE 16 2.853 -1.369 -2.369 124 HG21 ILE 16 HG21 ILE 16 3.568 -1.268 -4.690 125 HG22 ILE 16 HG22 ILE 16 2.659 -0.311 -5.860 126 HG23 ILE 16 HG23 ILE 16 1.908 -1.707 -5.088 127 HD11 ILE 16 HD11 ILE 16 4.673 -0.029 -3.627 128 HD12 ILE 16 HD12 ILE 16 4.897 -0.279 -1.896 129 HD13 ILE 16 HD13 ILE 16 4.307 1.271 -2.492 130 H ASP 17 HN ASP 17 1.907 3.787 -5.170 131 HA ASP 17 HA ASP 17 -0.226 2.874 -7.007 132 HB2 ASP 17 HB2 ASP 17 -0.295 4.911 -4.923 133 HB3 ASP 17 HB1 ASP 17 -0.769 5.539 -6.500 134 H LEU 18 HN LEU 18 2.820 4.111 -6.791 135 HA LEU 18 HA LEU 18 2.546 5.857 -9.138 136 HB2 LEU 18 HB2 LEU 18 5.220 5.572 -7.957 137 HB3 LEU 18 HB1 LEU 18 4.318 7.024 -8.383 138 HG LEU 18 HG LEU 18 3.875 5.333 -5.902 139 HD11 LEU 18 HD11 LEU 18 5.828 6.583 -5.522 140 HD12 LEU 18 HD12 LEU 18 4.553 7.603 -4.853 141 HD13 LEU 18 HD13 LEU 18 5.234 7.966 -6.441 142 HD21 LEU 18 HD21 LEU 18 1.811 6.254 -5.932 143 HD22 LEU 18 HD22 LEU 18 2.225 7.289 -7.299 144 HD23 LEU 18 HD23 LEU 18 2.596 7.808 -5.655 145 HA PRO 19 HA PRO 19 5.643 2.598 -10.653 146 HB2 PRO 19 HB2 PRO 19 6.075 0.341 -9.209 147 HB3 PRO 19 HB1 PRO 19 6.949 1.854 -8.904 148 HG2 PRO 19 HG2 PRO 19 4.758 0.599 -7.376 149 HG3 PRO 19 HG1 PRO 19 6.080 1.635 -6.820 150 HD2 PRO 19 HD2 PRO 19 3.412 2.433 -7.286 151 HD3 PRO 19 HD1 PRO 19 4.796 3.505 -7.006 152 H VAL 20 HN VAL 20 2.562 1.904 -9.453 153 HA VAL 20 HA VAL 20 2.229 -0.455 -11.191 154 HB VAL 20 HB VAL 20 -0.043 -0.519 -9.935 155 HG11 VAL 20 HG11 VAL 20 1.372 -2.265 -9.378 156 HG12 VAL 20 HG12 VAL 20 1.317 -1.414 -7.834 157 HG13 VAL 20 HG13 VAL 20 2.690 -1.187 -8.918 158 HG21 VAL 20 HG21 VAL 20 1.507 0.998 -7.848 159 HG22 VAL 20 HG22 VAL 20 -0.228 0.693 -7.934 160 HG23 VAL 20 HG23 VAL 20 0.516 1.869 -9.019 161 H LYS 21 HN LYS 21 2.423 2.334 -12.137 162 HA LYS 21 HA LYS 21 0.092 2.302 -13.850 163 HB2 LYS 21 HB2 LYS 21 -0.297 3.658 -11.545 164 HB3 LYS 21 HB1 LYS 21 0.430 4.930 -12.526 165 HG2 LYS 21 HG2 LYS 21 -1.228 4.419 -14.330 166 HG3 LYS 21 HG1 LYS 21 -2.004 3.270 -13.240 167 HD2 LYS 21 HD2 LYS 21 -2.144 5.246 -11.576 168 HD3 LYS 21 HD1 LYS 21 -1.807 6.269 -12.972 169 HE2 LYS 21 HE2 LYS 21 -4.168 6.180 -12.889 170 HE3 LYS 21 HE1 LYS 21 -3.739 4.999 -14.126 171 HZ1 LYS 21 HZ1 LYS 21 -4.662 4.546 -11.370 172 HZ2 LYS 21 HZ2 LYS 21 -3.702 3.373 -12.138 173 HZ3 LYS 21 HZ3 LYS 21 -5.195 3.827 -12.811 174 H ARG 22 HN ARG 22 3.074 3.819 -12.781 175 HA ARG 22 HA ARG 22 3.424 5.527 -15.031 176 HB2 ARG 22 HB2 ARG 22 4.615 5.654 -12.771 177 HB3 ARG 22 HB1 ARG 22 5.650 4.357 -13.366 178 HG2 ARG 22 HG2 ARG 22 6.900 6.106 -14.152 179 HG3 ARG 22 HG1 ARG 22 5.754 6.027 -15.491 180 HD2 ARG 22 HD2 ARG 22 5.694 8.295 -14.884 181 HD3 ARG 22 HD1 ARG 22 4.297 7.622 -14.048 182 HE ARG 22 HE ARG 22 6.454 7.432 -12.289 183 HH11 ARG 22 HH11 ARG 22 6.780 9.024 -10.702 184 HH12 ARG 22 HH12 ARG 22 6.105 10.605 -10.916 185 HH21 ARG 22 HH21 ARG 22 4.658 9.861 -13.978 186 HH22 ARG 22 HH22 ARG 22 4.905 11.079 -12.771 187 H ARG 23 HN ARG 23 3.634 4.843 -17.059 188 HA ARG 23 HA ARG 23 4.867 2.226 -17.583 189 HB2 ARG 23 HB2 ARG 23 2.752 3.773 -18.807 190 HB3 ARG 23 HB1 ARG 23 3.982 3.349 -19.999 191 HG2 ARG 23 HG2 ARG 23 2.278 1.577 -19.845 192 HG3 ARG 23 HG1 ARG 23 3.845 0.984 -19.295 193 HD2 ARG 23 HD2 ARG 23 3.037 0.557 -17.239 194 HD3 ARG 23 HD1 ARG 23 2.387 2.188 -17.102 195 HE ARG 23 HE ARG 23 0.651 0.825 -18.777 196 HH11 ARG 23 HH11 ARG 23 -1.218 -0.180 -17.965 197 HH12 ARG 23 HH12 ARG 23 -1.290 -0.644 -16.299 198 HH21 ARG 23 HH21 ARG 23 1.894 0.515 -15.563 199 HH22 ARG 23 HH22 ARG 23 0.472 -0.250 -14.938 200 H ALA 24 HN ALA 24 4.854 5.294 -19.395 201 HA ALA 24 HA ALA 24 7.748 5.484 -19.274 202 HB1 ALA 24 HB1 ALA 24 8.062 4.254 -21.141 203 HB2 ALA 24 HB2 ALA 24 7.420 5.655 -21.999 204 HB3 ALA 24 HB3 ALA 24 6.354 4.316 -21.576 Start of MODEL 16 1 H MET 1 HN MET 1 4.040 -12.616 -5.892 2 HA MET 1 HA MET 1 5.098 -10.576 -5.682 3 HB2 MET 1 HB2 MET 1 3.394 -10.066 -8.114 4 HB3 MET 1 HB1 MET 1 4.409 -8.802 -7.417 5 HG2 MET 1 HG2 MET 1 6.347 -9.802 -8.094 6 HG3 MET 1 HG1 MET 1 5.728 -11.428 -7.803 7 HE1 MET 1 HE1 MET 1 5.159 -8.673 -11.355 8 HE2 MET 1 HE2 MET 1 5.394 -8.285 -9.653 9 HE3 MET 1 HE3 MET 1 3.785 -8.694 -10.242 10 H ALA 2 HN ALA 2 4.819 -8.852 -4.353 11 HA ALA 2 HA ALA 2 3.740 -7.608 -2.739 12 HB1 ALA 2 HB1 ALA 2 1.536 -6.571 -3.977 13 HB2 ALA 2 HB2 ALA 2 2.576 -6.979 -5.345 14 HB3 ALA 2 HB3 ALA 2 3.166 -5.904 -4.077 15 HA PRO 3 HA PRO 3 0.406 -10.588 -1.766 16 HB2 PRO 3 HB2 PRO 3 0.963 -10.909 0.872 17 HB3 PRO 3 HB1 PRO 3 1.843 -11.776 -0.401 18 HG2 PRO 3 HG2 PRO 3 2.674 -9.446 1.221 19 HG3 PRO 3 HG1 PRO 3 3.644 -10.768 0.556 20 HD2 PRO 3 HD2 PRO 3 3.437 -8.193 -0.534 21 HD3 PRO 3 HD1 PRO 3 4.058 -9.626 -1.378 22 H ARG 4 HN ARG 4 -1.376 -10.469 -0.168 23 HA ARG 4 HA ARG 4 -2.438 -7.824 -0.010 24 HB2 ARG 4 HB2 ARG 4 -4.370 -8.858 1.016 25 HB3 ARG 4 HB1 ARG 4 -3.823 -9.886 -0.309 26 HG2 ARG 4 HG2 ARG 4 -2.353 -10.903 1.743 27 HG3 ARG 4 HG1 ARG 4 -3.806 -10.396 2.608 28 HD2 ARG 4 HD2 ARG 4 -4.224 -12.635 1.891 29 HD3 ARG 4 HD1 ARG 4 -5.146 -11.599 0.806 30 HE ARG 4 HE ARG 4 -2.778 -11.919 -0.503 31 HH11 ARG 4 HH11 ARG 4 -2.355 -13.631 -1.934 32 HH12 ARG 4 HH12 ARG 4 -3.207 -15.128 -1.762 33 HH21 ARG 4 HH21 ARG 4 -5.056 -14.064 0.973 34 HH22 ARG 4 HH22 ARG 4 -4.738 -15.373 -0.116 35 H GLY 5 HN GLY 5 0.010 -7.916 1.345 36 HA2 GLY 5 HA2 GLY 5 -0.863 -7.140 4.043 37 HA3 GLY 5 HA1 GLY 5 0.453 -8.301 3.888 38 H PHE 6 HN PHE 6 2.369 -7.628 2.698 39 HA PHE 6 HA PHE 6 3.454 -5.221 3.556 40 HB2 PHE 6 HB2 PHE 6 4.282 -7.419 1.953 41 HB3 PHE 6 HB1 PHE 6 4.678 -5.940 1.076 42 HD1 PHE 6 HD1 PHE 6 5.239 -7.870 4.164 43 HD2 PHE 6 HD2 PHE 6 6.244 -4.310 1.983 44 HE1 PHE 6 HE1 PHE 6 7.150 -7.475 5.692 45 HE2 PHE 6 HE2 PHE 6 8.157 -3.913 3.510 46 HZ PHE 6 HZ PHE 6 8.611 -5.497 5.366 47 H SER 7 HN SER 7 1.793 -5.999 0.530 48 HA SER 7 HA SER 7 2.174 -3.308 -0.508 49 HB2 SER 7 HB2 SER 7 0.271 -5.256 -1.735 50 HB3 SER 7 HB1 SER 7 1.361 -4.113 -2.513 51 HG SER 7 HG SER 7 1.759 -6.692 -1.911 52 H CYS 8 HN CYS 8 -0.273 -5.188 1.129 53 HA CYS 8 HA CYS 8 -2.547 -3.653 0.575 54 HB2 CYS 8 HB2 CYS 8 -1.786 -5.712 2.444 55 HB3 CYS 8 HB1 CYS 8 -2.768 -4.490 3.251 56 HG CYS 8 HG CYS 8 -4.173 -6.439 1.887 57 H LEU 9 HN LEU 9 -0.175 -3.316 3.231 58 HA LEU 9 HA LEU 9 -1.450 -1.067 4.406 59 HB2 LEU 9 HB2 LEU 9 0.587 -0.776 5.683 60 HB3 LEU 9 HB1 LEU 9 0.216 -2.496 5.583 61 HG LEU 9 HG LEU 9 1.763 -2.107 3.338 62 HD11 LEU 9 HD11 LEU 9 3.001 -0.503 5.595 63 HD12 LEU 9 HD12 LEU 9 2.259 0.221 4.170 64 HD13 LEU 9 HD13 LEU 9 3.693 -0.790 3.999 65 HD21 LEU 9 HD21 LEU 9 2.580 -2.892 6.152 66 HD22 LEU 9 HD22 LEU 9 3.560 -3.191 4.717 67 HD23 LEU 9 HD23 LEU 9 1.986 -3.970 4.890 68 H LEU 10 HN LEU 10 0.806 -1.420 1.760 69 HA LEU 10 HA LEU 10 1.558 1.351 1.650 70 HB2 LEU 10 HB2 LEU 10 1.773 -0.895 -0.367 71 HB3 LEU 10 HB1 LEU 10 2.446 0.714 -0.612 72 HG LEU 10 HG LEU 10 3.125 -1.083 1.736 73 HD11 LEU 10 HD11 LEU 10 5.363 -0.667 0.055 74 HD12 LEU 10 HD12 LEU 10 4.030 -1.146 -0.995 75 HD13 LEU 10 HD13 LEU 10 4.509 -2.181 0.350 76 HD21 LEU 10 HD21 LEU 10 5.168 0.643 1.581 77 HD22 LEU 10 HD22 LEU 10 3.712 1.016 2.501 78 HD23 LEU 10 HD23 LEU 10 3.919 1.670 0.880 79 H LEU 11 HN LEU 11 -0.745 -0.710 -0.095 80 HA LEU 11 HA LEU 11 -1.681 1.334 -1.842 81 HB2 LEU 11 HB2 LEU 11 -2.193 -1.447 -1.384 82 HB3 LEU 11 HB1 LEU 11 -3.732 -0.585 -1.428 83 HG LEU 11 HG LEU 11 -3.029 0.495 -3.563 84 HD11 LEU 11 HD11 LEU 11 -0.496 -0.572 -2.778 85 HD12 LEU 11 HD12 LEU 11 -0.866 0.431 -4.180 86 HD13 LEU 11 HD13 LEU 11 -0.953 -1.327 -4.305 87 HD21 LEU 11 HD21 LEU 11 -3.030 -2.532 -3.411 88 HD22 LEU 11 HD22 LEU 11 -3.099 -1.647 -4.936 89 HD23 LEU 11 HD23 LEU 11 -4.397 -1.471 -3.756 90 H LEU 12 HN LEU 12 -2.754 0.118 1.303 91 HA LEU 12 HA LEU 12 -5.205 1.316 1.593 92 HB2 LEU 12 HB2 LEU 12 -3.170 0.301 3.352 93 HB3 LEU 12 HB1 LEU 12 -3.854 1.777 4.034 94 HG LEU 12 HG LEU 12 -5.510 -0.541 2.995 95 HD11 LEU 12 HD11 LEU 12 -4.282 0.038 5.643 96 HD12 LEU 12 HD12 LEU 12 -4.705 -1.510 4.914 97 HD13 LEU 12 HD13 LEU 12 -5.956 -0.515 5.656 98 HD21 LEU 12 HD21 LEU 12 -6.132 2.162 3.586 99 HD22 LEU 12 HD22 LEU 12 -6.778 1.200 4.914 100 HD23 LEU 12 HD23 LEU 12 -7.263 0.850 3.255 101 H THR 13 HN THR 13 -2.070 2.832 1.497 102 HA THR 13 HA THR 13 -3.273 5.447 2.154 103 HB THR 13 HB THR 13 -1.137 6.194 2.777 104 HG1 THR 13 HG1 THR 13 0.412 4.119 2.059 105 HG21 THR 13 HG21 THR 13 -2.070 4.417 4.282 106 HG22 THR 13 HG22 THR 13 -0.311 4.534 4.339 107 HG23 THR 13 HG23 THR 13 -1.080 3.236 3.425 108 H DSN 14 HN DSE 14 -0.898 4.016 -0.094 109 HA DSN 14 HA DSE 14 -1.648 6.073 -2.083 110 HB2 DSN 14 HB1 DSE 14 -2.438 3.507 -2.324 111 HB3 DSN 14 HB2 DSE 14 -0.850 3.400 -3.078 112 HG DSN 14 HG DSE 14 -2.924 4.179 -4.285 113 H GLU 15 HN GLU 15 0.787 4.047 -0.637 114 HA GLU 15 HA GLU 15 2.885 5.810 -1.461 115 HB2 GLU 15 HB2 GLU 15 2.577 3.504 0.312 116 HB3 GLU 15 HB1 GLU 15 4.132 3.539 -0.521 117 HG2 GLU 15 HG2 GLU 15 2.987 5.963 0.878 118 HG3 GLU 15 HG1 GLU 15 4.026 4.800 1.699 119 H ILE 16 HN ILE 16 2.563 2.285 -1.993 120 HA ILE 16 HA ILE 16 4.147 2.595 -4.455 121 HB ILE 16 HB ILE 16 3.321 0.019 -3.108 122 HG12 ILE 16 HG12 ILE 16 4.558 1.265 -1.450 123 HG13 ILE 16 HG11 ILE 16 5.663 0.083 -2.149 124 HG21 ILE 16 HG21 ILE 16 5.871 0.194 -4.542 125 HG22 ILE 16 HG22 ILE 16 4.476 0.525 -5.570 126 HG23 ILE 16 HG23 ILE 16 4.579 -0.998 -4.688 127 HD11 ILE 16 HD11 ILE 16 6.924 2.075 -2.138 128 HD12 ILE 16 HD12 ILE 16 5.543 3.057 -2.627 129 HD13 ILE 16 HD13 ILE 16 6.320 1.986 -3.791 130 H ASP 17 HN ASP 17 2.103 3.630 -5.344 131 HA ASP 17 HA ASP 17 0.185 1.586 -6.277 132 HB2 ASP 17 HB2 ASP 17 -0.210 4.145 -5.202 133 HB3 ASP 17 HB1 ASP 17 -0.543 4.309 -6.923 134 H LEU 18 HN LEU 18 2.934 2.207 -7.354 135 HA LEU 18 HA LEU 18 2.278 3.266 -10.004 136 HB2 LEU 18 HB2 LEU 18 5.042 2.386 -9.541 137 HB3 LEU 18 HB1 LEU 18 4.428 3.913 -10.169 138 HG LEU 18 HG LEU 18 4.488 3.105 -7.243 139 HD11 LEU 18 HD11 LEU 18 6.404 4.380 -8.994 140 HD12 LEU 18 HD12 LEU 18 6.582 3.909 -7.305 141 HD13 LEU 18 HD13 LEU 18 5.906 5.486 -7.715 142 HD21 LEU 18 HD21 LEU 18 3.019 5.150 -8.738 143 HD22 LEU 18 HD22 LEU 18 4.022 5.838 -7.462 144 HD23 LEU 18 HD23 LEU 18 2.811 4.618 -7.069 145 HA PRO 19 HA PRO 19 3.755 -1.106 -11.104 146 HB2 PRO 19 HB2 PRO 19 4.102 -2.966 -9.158 147 HB3 PRO 19 HB1 PRO 19 5.368 -1.811 -9.617 148 HG2 PRO 19 HG2 PRO 19 3.622 -1.850 -7.237 149 HG3 PRO 19 HG1 PRO 19 5.265 -1.222 -7.429 150 HD2 PRO 19 HD2 PRO 19 2.885 0.298 -7.415 151 HD3 PRO 19 HD1 PRO 19 4.496 0.871 -7.886 152 H VAL 20 HN VAL 20 1.600 -1.167 -8.278 153 HA VAL 20 HA VAL 20 0.020 -3.362 -9.230 154 HB VAL 20 HB VAL 20 -1.543 -2.650 -7.405 155 HG11 VAL 20 HG11 VAL 20 0.030 -4.214 -6.674 156 HG12 VAL 20 HG12 VAL 20 0.331 -2.867 -5.575 157 HG13 VAL 20 HG13 VAL 20 1.390 -3.129 -6.962 158 HG21 VAL 20 HG21 VAL 20 -0.241 -0.189 -7.756 159 HG22 VAL 20 HG22 VAL 20 0.327 -0.784 -6.196 160 HG23 VAL 20 HG23 VAL 20 -1.401 -0.592 -6.490 161 H LYS 21 HN LYS 21 0.339 -1.301 -11.197 162 HA LYS 21 HA LYS 21 -2.078 0.256 -11.337 163 HB2 LYS 21 HB2 LYS 21 -1.275 0.970 -13.491 164 HB3 LYS 21 HB1 LYS 21 0.109 0.911 -12.398 165 HG2 LYS 21 HG2 LYS 21 0.468 -1.489 -13.267 166 HG3 LYS 21 HG1 LYS 21 -0.645 -1.052 -14.564 167 HD2 LYS 21 HD2 LYS 21 0.899 1.046 -14.829 168 HD3 LYS 21 HD1 LYS 21 2.078 0.069 -13.955 169 HE2 LYS 21 HE2 LYS 21 2.574 -0.596 -16.109 170 HE3 LYS 21 HE1 LYS 21 1.316 -1.772 -15.732 171 HZ1 LYS 21 HZ1 LYS 21 -0.226 -0.669 -16.993 172 HZ2 LYS 21 HZ2 LYS 21 1.182 -0.361 -17.893 173 HZ3 LYS 21 HZ3 LYS 21 0.553 0.832 -16.857 174 H ARG 22 HN ARG 22 -0.873 -2.699 -12.894 175 HA ARG 22 HA ARG 22 -3.503 -3.099 -14.150 176 HB2 ARG 22 HB2 ARG 22 -0.746 -3.899 -14.774 177 HB3 ARG 22 HB1 ARG 22 -1.928 -5.192 -14.973 178 HG2 ARG 22 HG2 ARG 22 -3.303 -3.748 -16.403 179 HG3 ARG 22 HG1 ARG 22 -2.167 -2.418 -16.173 180 HD2 ARG 22 HD2 ARG 22 -1.698 -3.506 -18.301 181 HD3 ARG 22 HD1 ARG 22 -0.373 -3.821 -17.184 182 HE ARG 22 HE ARG 22 -2.066 -5.958 -16.852 183 HH11 ARG 22 HH11 ARG 22 -1.862 -7.872 -18.057 184 HH12 ARG 22 HH12 ARG 22 -1.099 -7.833 -19.612 185 HH21 ARG 22 HH21 ARG 22 -0.471 -4.425 -19.512 186 HH22 ARG 22 HH22 ARG 22 -0.312 -5.882 -20.436 187 H ARG 23 HN ARG 23 -4.071 -5.567 -14.261 188 HA ARG 23 HA ARG 23 -4.265 -6.462 -11.483 189 HB2 ARG 23 HB2 ARG 23 -5.547 -8.077 -13.588 190 HB3 ARG 23 HB1 ARG 23 -6.218 -7.440 -12.086 191 HG2 ARG 23 HG2 ARG 23 -6.178 -5.142 -13.192 192 HG3 ARG 23 HG1 ARG 23 -5.838 -5.978 -14.707 193 HD2 ARG 23 HD2 ARG 23 -8.206 -5.715 -14.644 194 HD3 ARG 23 HD1 ARG 23 -7.903 -7.401 -14.229 195 HE ARG 23 HE ARG 23 -7.979 -5.918 -11.842 196 HH11 ARG 23 HH11 ARG 23 -9.877 -5.925 -10.594 197 HH12 ARG 23 HH12 ARG 23 -11.389 -6.341 -11.329 198 HH21 ARG 23 HH21 ARG 23 -10.020 -6.869 -14.470 199 HH22 ARG 23 HH22 ARG 23 -11.469 -6.876 -13.523 200 H ALA 24 HN ALA 24 -3.215 -8.179 -10.673 201 HA ALA 24 HA ALA 24 -1.166 -9.449 -12.254 202 HB1 ALA 24 HB1 ALA 24 -1.987 -9.423 -9.400 203 HB2 ALA 24 HB2 ALA 24 -0.382 -9.270 -10.115 204 HB3 ALA 24 HB3 ALA 24 -1.133 -10.859 -9.966 Start of MODEL 17 1 H MET 1 HN MET 1 -1.241 -11.042 -6.317 2 HA MET 1 HA MET 1 1.031 -10.666 -6.202 3 HB2 MET 1 HB2 MET 1 0.166 -7.765 -6.292 4 HB3 MET 1 HB1 MET 1 1.805 -8.358 -6.568 5 HG2 MET 1 HG2 MET 1 0.769 -9.840 -8.405 6 HG3 MET 1 HG1 MET 1 -0.655 -8.809 -8.260 7 HE1 MET 1 HE1 MET 1 1.156 -7.710 -11.556 8 HE2 MET 1 HE2 MET 1 -0.200 -8.578 -10.838 9 HE3 MET 1 HE3 MET 1 1.403 -9.310 -10.840 10 H ALA 2 HN ALA 2 2.729 -10.048 -4.746 11 HA ALA 2 HA ALA 2 3.617 -9.819 -2.642 12 HB1 ALA 2 HB1 ALA 2 3.375 -7.643 -2.163 13 HB2 ALA 2 HB2 ALA 2 1.842 -8.024 -1.380 14 HB3 ALA 2 HB3 ALA 2 1.873 -7.571 -3.084 15 HA PRO 3 HA PRO 3 1.408 -12.441 0.111 16 HB2 PRO 3 HB2 PRO 3 2.276 -11.626 2.578 17 HB3 PRO 3 HB1 PRO 3 3.288 -12.532 1.439 18 HG2 PRO 3 HG2 PRO 3 3.250 -9.616 2.031 19 HG3 PRO 3 HG1 PRO 3 4.625 -10.691 1.725 20 HD2 PRO 3 HD2 PRO 3 3.604 -8.999 -0.173 21 HD3 PRO 3 HD1 PRO 3 4.415 -10.529 -0.569 22 H ARG 4 HN ARG 4 -0.029 -10.056 -0.733 23 HA ARG 4 HA ARG 4 -1.793 -8.677 -0.133 24 HB2 ARG 4 HB2 ARG 4 -2.374 -11.325 1.187 25 HB3 ARG 4 HB1 ARG 4 -3.530 -9.994 1.217 26 HG2 ARG 4 HG2 ARG 4 -2.351 -10.624 -1.433 27 HG3 ARG 4 HG1 ARG 4 -3.449 -11.835 -0.770 28 HD2 ARG 4 HD2 ARG 4 -4.128 -8.891 -0.931 29 HD3 ARG 4 HD1 ARG 4 -4.563 -10.052 -2.182 30 HE ARG 4 HE ARG 4 -5.820 -9.754 0.396 31 HH11 ARG 4 HH11 ARG 4 -7.556 -11.157 0.817 32 HH12 ARG 4 HH12 ARG 4 -7.790 -12.558 -0.173 33 HH21 ARG 4 HH21 ARG 4 -5.046 -11.913 -2.195 34 HH22 ARG 4 HH22 ARG 4 -6.368 -12.986 -1.880 35 H GLY 5 HN GLY 5 0.489 -8.203 1.472 36 HA2 GLY 5 HA2 GLY 5 -0.830 -7.160 3.873 37 HA3 GLY 5 HA1 GLY 5 0.574 -8.196 4.105 38 H PHE 6 HN PHE 6 2.582 -7.527 2.931 39 HA PHE 6 HA PHE 6 3.466 -5.030 3.668 40 HB2 PHE 6 HB2 PHE 6 4.480 -7.202 2.140 41 HB3 PHE 6 HB1 PHE 6 4.793 -5.722 1.232 42 HD1 PHE 6 HD1 PHE 6 5.254 -7.387 4.525 43 HD2 PHE 6 HD2 PHE 6 6.385 -4.107 1.992 44 HE1 PHE 6 HE1 PHE 6 7.099 -6.821 6.082 45 HE2 PHE 6 HE2 PHE 6 8.231 -3.542 3.549 46 HZ PHE 6 HZ PHE 6 8.588 -4.898 5.594 47 H SER 7 HN SER 7 2.156 -5.987 0.498 48 HA SER 7 HA SER 7 2.238 -3.241 -0.457 49 HB2 SER 7 HB2 SER 7 2.711 -4.997 -2.058 50 HB3 SER 7 HB1 SER 7 1.183 -5.794 -1.694 51 HG SER 7 HG SER 7 1.152 -3.105 -2.471 52 H CYS 8 HN CYS 8 0.192 -5.017 1.481 53 HA CYS 8 HA CYS 8 -2.317 -3.943 0.503 54 HB2 CYS 8 HB2 CYS 8 -1.726 -6.157 1.937 55 HB3 CYS 8 HB1 CYS 8 -2.161 -5.056 3.244 56 HG CYS 8 HG CYS 8 -4.465 -5.796 2.584 57 H LEU 9 HN LEU 9 -0.133 -3.383 3.246 58 HA LEU 9 HA LEU 9 -1.753 -1.327 4.412 59 HB2 LEU 9 HB2 LEU 9 0.169 -0.919 5.859 60 HB3 LEU 9 HB1 LEU 9 -0.118 -2.654 5.718 61 HG LEU 9 HG LEU 9 1.573 -2.127 3.588 62 HD11 LEU 9 HD11 LEU 9 1.890 0.168 4.640 63 HD12 LEU 9 HD12 LEU 9 3.371 -0.760 4.403 64 HD13 LEU 9 HD13 LEU 9 2.645 -0.652 6.007 65 HD21 LEU 9 HD21 LEU 9 1.781 -4.073 4.989 66 HD22 LEU 9 HD22 LEU 9 2.116 -3.085 6.411 67 HD23 LEU 9 HD23 LEU 9 3.305 -3.193 5.113 68 H LEU 10 HN LEU 10 0.603 -1.439 1.879 69 HA LEU 10 HA LEU 10 1.218 1.388 1.950 70 HB2 LEU 10 HB2 LEU 10 1.789 -0.764 -0.100 71 HB3 LEU 10 HB1 LEU 10 2.365 0.895 -0.225 72 HG LEU 10 HG LEU 10 2.954 -0.958 2.104 73 HD11 LEU 10 HD11 LEU 10 4.463 -0.307 -0.418 74 HD12 LEU 10 HD12 LEU 10 4.179 -1.881 0.327 75 HD13 LEU 10 HD13 LEU 10 5.328 -0.755 1.052 76 HD21 LEU 10 HD21 LEU 10 4.850 0.929 2.235 77 HD22 LEU 10 HD22 LEU 10 3.286 1.138 3.018 78 HD23 LEU 10 HD23 LEU 10 3.597 1.891 1.455 79 H LEU 11 HN LEU 11 -0.966 -0.756 0.223 80 HA LEU 11 HA LEU 11 -1.784 1.093 -1.773 81 HB2 LEU 11 HB2 LEU 11 -2.318 -1.585 -1.135 82 HB3 LEU 11 HB1 LEU 11 -3.875 -0.765 -1.023 83 HG LEU 11 HG LEU 11 -1.974 -0.629 -3.384 84 HD11 LEU 11 HD11 LEU 11 -3.294 -2.793 -2.946 85 HD12 LEU 11 HD12 LEU 11 -3.501 -2.043 -4.529 86 HD13 LEU 11 HD13 LEU 11 -4.740 -1.843 -3.288 87 HD21 LEU 11 HD21 LEU 11 -4.425 0.301 -4.211 88 HD22 LEU 11 HD22 LEU 11 -3.079 1.334 -3.729 89 HD23 LEU 11 HD23 LEU 11 -4.343 0.933 -2.566 90 H LEU 12 HN LEU 12 -2.901 0.392 1.498 91 HA LEU 12 HA LEU 12 -5.235 2.055 1.337 92 HB2 LEU 12 HB2 LEU 12 -3.746 0.720 3.588 93 HB3 LEU 12 HB1 LEU 12 -5.072 1.837 3.907 94 HG LEU 12 HG LEU 12 -5.564 -0.262 1.856 95 HD11 LEU 12 HD11 LEU 12 -4.427 -1.580 3.560 96 HD12 LEU 12 HD12 LEU 12 -6.159 -1.896 3.658 97 HD13 LEU 12 HD13 LEU 12 -5.390 -0.828 4.831 98 HD21 LEU 12 HD21 LEU 12 -7.224 0.709 4.201 99 HD22 LEU 12 HD22 LEU 12 -7.795 -0.157 2.774 100 HD23 LEU 12 HD23 LEU 12 -7.215 1.502 2.625 101 H THR 13 HN THR 13 -2.385 3.107 0.776 102 HA THR 13 HA THR 13 -2.764 5.616 2.254 103 HB THR 13 HB THR 13 -0.311 5.719 2.719 104 HG1 THR 13 HG1 THR 13 0.881 3.871 2.460 105 HG21 THR 13 HG21 THR 13 -0.387 4.219 4.643 106 HG22 THR 13 HG22 THR 13 -1.716 3.315 3.915 107 HG23 THR 13 HG23 THR 13 -1.962 4.984 4.431 108 H DSN 14 HN DSE 14 -1.900 3.892 -0.553 109 HA DSN 14 HA DSE 14 -1.759 6.311 -2.109 110 HB2 DSN 14 HB1 DSE 14 -0.936 3.748 -3.347 111 HB3 DSN 14 HB2 DSE 14 -2.088 4.954 -3.912 112 HG DSN 14 HG DSE 14 -3.623 3.845 -3.058 113 H GLU 15 HN GLU 15 0.510 3.642 -1.452 114 HA GLU 15 HA GLU 15 2.742 5.503 -2.026 115 HB2 GLU 15 HB2 GLU 15 2.378 3.331 0.011 116 HB3 GLU 15 HB1 GLU 15 3.998 3.701 -0.580 117 HG2 GLU 15 HG2 GLU 15 2.257 5.986 0.240 118 HG3 GLU 15 HG1 GLU 15 2.964 4.989 1.511 119 H ILE 16 HN ILE 16 1.661 2.126 -2.208 120 HA ILE 16 HA ILE 16 3.761 1.371 -4.012 121 HB ILE 16 HB ILE 16 2.820 -0.205 -2.382 122 HG12 ILE 16 HG12 ILE 16 1.803 -1.474 -4.799 123 HG13 ILE 16 HG11 ILE 16 3.345 -0.664 -5.072 124 HG21 ILE 16 HG21 ILE 16 0.408 0.941 -3.216 125 HG22 ILE 16 HG22 ILE 16 0.596 -0.408 -2.096 126 HG23 ILE 16 HG23 ILE 16 0.349 -0.715 -3.815 127 HD11 ILE 16 HD11 ILE 16 4.407 -1.893 -3.311 128 HD12 ILE 16 HD12 ILE 16 3.519 -3.076 -4.273 129 HD13 ILE 16 HD13 ILE 16 2.863 -2.519 -2.733 130 H ASP 17 HN ASP 17 2.135 3.585 -4.875 131 HA ASP 17 HA ASP 17 0.535 2.457 -7.066 132 HB2 ASP 17 HB2 ASP 17 0.109 4.617 -5.382 133 HB3 ASP 17 HB1 ASP 17 0.641 5.368 -6.886 134 H LEU 18 HN LEU 18 3.482 2.384 -6.988 135 HA LEU 18 HA LEU 18 4.211 4.252 -9.132 136 HB2 LEU 18 HB2 LEU 18 6.286 2.419 -8.147 137 HB3 LEU 18 HB1 LEU 18 6.333 4.164 -8.365 138 HG LEU 18 HG LEU 18 4.990 2.726 -6.050 139 HD11 LEU 18 HD11 LEU 18 7.357 2.554 -5.788 140 HD12 LEU 18 HD12 LEU 18 6.841 3.892 -4.761 141 HD13 LEU 18 HD13 LEU 18 7.604 4.219 -6.318 142 HD21 LEU 18 HD21 LEU 18 5.285 5.329 -5.307 143 HD22 LEU 18 HD22 LEU 18 3.810 4.688 -6.027 144 HD23 LEU 18 HD23 LEU 18 4.990 5.525 -7.034 145 HA PRO 19 HA PRO 19 5.087 0.047 -11.149 146 HB2 PRO 19 HB2 PRO 19 4.155 -2.232 -9.995 147 HB3 PRO 19 HB1 PRO 19 5.716 -1.506 -9.576 148 HG2 PRO 19 HG2 PRO 19 3.185 -1.532 -8.068 149 HG3 PRO 19 HG1 PRO 19 4.852 -1.437 -7.484 150 HD2 PRO 19 HD2 PRO 19 3.029 0.712 -7.743 151 HD3 PRO 19 HD1 PRO 19 4.762 0.835 -7.392 152 H VAL 20 HN VAL 20 2.512 1.615 -10.825 153 HA VAL 20 HA VAL 20 0.630 -0.286 -12.079 154 HB VAL 20 HB VAL 20 -0.190 0.852 -10.041 155 HG11 VAL 20 HG11 VAL 20 -0.248 3.161 -9.799 156 HG12 VAL 20 HG12 VAL 20 -0.232 3.449 -11.538 157 HG13 VAL 20 HG13 VAL 20 1.249 2.965 -10.710 158 HG21 VAL 20 HG21 VAL 20 -1.476 0.621 -12.515 159 HG22 VAL 20 HG22 VAL 20 -1.853 2.258 -11.980 160 HG23 VAL 20 HG23 VAL 20 -2.256 0.881 -10.956 161 H LYS 21 HN LYS 21 2.906 1.019 -13.397 162 HA LYS 21 HA LYS 21 1.416 2.256 -15.603 163 HB2 LYS 21 HB2 LYS 21 2.200 4.166 -14.312 164 HB3 LYS 21 HB1 LYS 21 3.832 3.501 -14.268 165 HG2 LYS 21 HG2 LYS 21 4.301 4.176 -16.384 166 HG3 LYS 21 HG1 LYS 21 2.701 3.731 -16.981 167 HD2 LYS 21 HD2 LYS 21 1.744 5.766 -15.994 168 HD3 LYS 21 HD1 LYS 21 3.321 6.207 -15.340 169 HE2 LYS 21 HE2 LYS 21 4.072 5.947 -17.876 170 HE3 LYS 21 HE1 LYS 21 2.362 6.259 -18.178 171 HZ1 LYS 21 HZ1 LYS 21 2.488 8.347 -17.273 172 HZ2 LYS 21 HZ2 LYS 21 4.027 8.220 -17.980 173 HZ3 LYS 21 HZ3 LYS 21 3.836 7.984 -16.309 174 H ARG 22 HN ARG 22 4.825 2.613 -15.487 175 HA ARG 22 HA ARG 22 5.491 0.080 -16.687 176 HB2 ARG 22 HB2 ARG 22 4.368 1.644 -18.495 177 HB3 ARG 22 HB1 ARG 22 5.956 2.413 -18.503 178 HG2 ARG 22 HG2 ARG 22 6.972 0.130 -18.842 179 HG3 ARG 22 HG1 ARG 22 5.339 -0.502 -19.049 180 HD2 ARG 22 HD2 ARG 22 5.035 1.282 -20.858 181 HD3 ARG 22 HD1 ARG 22 6.778 1.523 -20.771 182 HE ARG 22 HE ARG 22 6.429 -1.201 -21.101 183 HH11 ARG 22 HH11 ARG 22 6.469 -2.160 -23.158 184 HH12 ARG 22 HH12 ARG 22 6.097 -1.212 -24.558 185 HH21 ARG 22 HH21 ARG 22 5.545 1.704 -22.764 186 HH22 ARG 22 HH22 ARG 22 5.575 0.976 -24.336 187 H ARG 23 HN ARG 23 7.776 -0.137 -17.059 188 HA ARG 23 HA ARG 23 9.332 1.621 -15.319 189 HB2 ARG 23 HB2 ARG 23 9.659 -1.112 -16.446 190 HB3 ARG 23 HB1 ARG 23 11.131 -0.195 -16.121 191 HG2 ARG 23 HG2 ARG 23 10.431 -1.545 -14.157 192 HG3 ARG 23 HG1 ARG 23 10.414 0.184 -13.807 193 HD2 ARG 23 HD2 ARG 23 7.904 -1.029 -14.867 194 HD3 ARG 23 HD1 ARG 23 8.341 -1.394 -13.201 195 HE ARG 23 HE ARG 23 7.468 1.165 -14.238 196 HH11 ARG 23 HH11 ARG 23 7.223 2.807 -12.687 197 HH12 ARG 23 HH12 ARG 23 7.896 2.602 -11.103 198 HH21 ARG 23 HH21 ARG 23 9.203 -0.539 -11.777 199 HH22 ARG 23 HH22 ARG 23 9.018 0.706 -10.589 200 H ALA 24 HN ALA 24 9.739 0.227 -18.584 201 HA ALA 24 HA ALA 24 11.724 2.206 -19.281 202 HB1 ALA 24 HB1 ALA 24 10.457 -0.138 -20.637 203 HB2 ALA 24 HB2 ALA 24 12.165 0.221 -20.377 204 HB3 ALA 24 HB3 ALA 24 11.264 1.080 -21.626 Start of MODEL 18 1 H MET 1 HN MET 1 5.543 -11.037 -4.942 2 HA MET 1 HA MET 1 5.350 -11.450 -2.674 3 HB2 MET 1 HB2 MET 1 7.685 -10.256 -2.715 4 HB3 MET 1 HB1 MET 1 6.791 -8.903 -2.023 5 HG2 MET 1 HG2 MET 1 5.892 -10.503 -0.283 6 HG3 MET 1 HG1 MET 1 7.021 -11.708 -0.904 7 HE1 MET 1 HE1 MET 1 6.918 -11.105 1.891 8 HE2 MET 1 HE2 MET 1 6.602 -9.372 1.951 9 HE3 MET 1 HE3 MET 1 8.106 -10.009 2.612 10 H ALA 2 HN ALA 2 3.179 -11.178 -2.440 11 HA ALA 2 HA ALA 2 2.287 -8.729 -1.170 12 HB1 ALA 2 HB1 ALA 2 2.085 -8.335 -3.663 13 HB2 ALA 2 HB2 ALA 2 0.596 -8.153 -2.737 14 HB3 ALA 2 HB3 ALA 2 0.876 -9.617 -3.681 15 HA PRO 3 HA PRO 3 0.083 -12.564 0.143 16 HB2 PRO 3 HB2 PRO 3 0.979 -12.661 2.699 17 HB3 PRO 3 HB1 PRO 3 1.922 -13.304 1.341 18 HG2 PRO 3 HG2 PRO 3 2.280 -10.795 2.870 19 HG3 PRO 3 HG1 PRO 3 3.488 -11.841 2.109 20 HD2 PRO 3 HD2 PRO 3 2.479 -9.433 1.040 21 HD3 PRO 3 HD1 PRO 3 3.419 -10.653 0.156 22 H ARG 4 HN ARG 4 -0.835 -9.800 -0.013 23 HA ARG 4 HA ARG 4 -2.563 -8.499 0.763 24 HB2 ARG 4 HB2 ARG 4 -3.572 -10.884 0.934 25 HB3 ARG 4 HB1 ARG 4 -3.303 -10.704 2.668 26 HG2 ARG 4 HG2 ARG 4 -4.477 -8.349 2.236 27 HG3 ARG 4 HG1 ARG 4 -5.181 -9.224 0.876 28 HD2 ARG 4 HD2 ARG 4 -6.698 -9.572 2.668 29 HD3 ARG 4 HD1 ARG 4 -5.766 -11.063 2.567 30 HE ARG 4 HE ARG 4 -4.463 -9.353 4.375 31 HH11 ARG 4 HH11 ARG 4 -4.767 -9.653 6.605 32 HH12 ARG 4 HH12 ARG 4 -6.161 -10.506 7.176 33 HH21 ARG 4 HH21 ARG 4 -7.435 -11.086 4.004 34 HH22 ARG 4 HH22 ARG 4 -7.672 -11.318 5.703 35 H GLY 5 HN GLY 5 -0.064 -8.089 1.923 36 HA2 GLY 5 HA2 GLY 5 -0.872 -6.980 4.505 37 HA3 GLY 5 HA1 GLY 5 0.475 -8.114 4.523 38 H PHE 6 HN PHE 6 2.422 -7.560 3.421 39 HA PHE 6 HA PHE 6 3.401 -5.026 3.800 40 HB2 PHE 6 HB2 PHE 6 4.306 -7.408 2.545 41 HB3 PHE 6 HB1 PHE 6 4.633 -6.075 1.438 42 HD1 PHE 6 HD1 PHE 6 6.240 -4.364 1.969 43 HD2 PHE 6 HD2 PHE 6 5.208 -7.363 4.866 44 HE1 PHE 6 HE1 PHE 6 8.153 -3.657 3.382 45 HE2 PHE 6 HE2 PHE 6 7.120 -6.657 6.278 46 HZ PHE 6 HZ PHE 6 8.592 -4.804 5.536 47 H SER 7 HN SER 7 2.357 -6.314 0.635 48 HA SER 7 HA SER 7 2.335 -3.680 -0.543 49 HB2 SER 7 HB2 SER 7 1.614 -6.437 -1.499 50 HB3 SER 7 HB1 SER 7 1.191 -5.017 -2.452 51 HG SER 7 HG SER 7 3.714 -4.805 -1.580 52 H CYS 8 HN CYS 8 0.426 -4.748 1.727 53 HA CYS 8 HA CYS 8 -2.125 -3.974 0.472 54 HB2 CYS 8 HB2 CYS 8 -1.792 -6.137 1.884 55 HB3 CYS 8 HB1 CYS 8 -1.857 -5.044 3.266 56 HG CYS 8 HG CYS 8 -4.204 -5.486 1.254 57 H LEU 9 HN LEU 9 -0.013 -3.248 3.229 58 HA LEU 9 HA LEU 9 -1.653 -1.116 4.216 59 HB2 LEU 9 HB2 LEU 9 0.242 -0.619 5.681 60 HB3 LEU 9 HB1 LEU 9 -0.076 -2.354 5.661 61 HG LEU 9 HG LEU 9 1.688 -1.963 3.534 62 HD11 LEU 9 HD11 LEU 9 2.656 -0.425 5.962 63 HD12 LEU 9 HD12 LEU 9 2.100 0.330 4.469 64 HD13 LEU 9 HD13 LEU 9 3.539 -0.688 4.458 65 HD21 LEU 9 HD21 LEU 9 1.746 -3.880 5.006 66 HD22 LEU 9 HD22 LEU 9 2.124 -2.863 6.396 67 HD23 LEU 9 HD23 LEU 9 3.315 -3.083 5.113 68 H LEU 10 HN LEU 10 0.710 -1.409 1.726 69 HA LEU 10 HA LEU 10 1.478 1.363 1.648 70 HB2 LEU 10 HB2 LEU 10 1.736 -0.836 -0.419 71 HB3 LEU 10 HB1 LEU 10 2.483 0.755 -0.544 72 HG LEU 10 HG LEU 10 2.967 -1.207 1.721 73 HD11 LEU 10 HD11 LEU 10 4.856 -0.431 -0.513 74 HD12 LEU 10 HD12 LEU 10 3.848 -1.878 -0.568 75 HD13 LEU 10 HD13 LEU 10 5.073 -1.704 0.690 76 HD21 LEU 10 HD21 LEU 10 3.521 0.830 2.668 77 HD22 LEU 10 HD22 LEU 10 3.873 1.581 1.113 78 HD23 LEU 10 HD23 LEU 10 5.037 0.478 1.843 79 H LEU 11 HN LEU 11 -0.796 -0.685 -0.146 80 HA LEU 11 HA LEU 11 -1.664 1.382 -1.915 81 HB2 LEU 11 HB2 LEU 11 -1.894 -1.094 -2.328 82 HB3 LEU 11 HB1 LEU 11 -3.184 -1.109 -1.125 83 HG LEU 11 HG LEU 11 -3.819 1.039 -2.802 84 HD11 LEU 11 HD11 LEU 11 -2.936 -1.377 -4.414 85 HD12 LEU 11 HD12 LEU 11 -2.174 0.215 -4.441 86 HD13 LEU 11 HD13 LEU 11 -3.815 0.013 -5.053 87 HD21 LEU 11 HD21 LEU 11 -5.414 -0.510 -1.770 88 HD22 LEU 11 HD22 LEU 11 -4.823 -1.826 -2.783 89 HD23 LEU 11 HD23 LEU 11 -5.675 -0.467 -3.513 90 H LEU 12 HN LEU 12 -2.674 0.251 1.251 91 HA LEU 12 HA LEU 12 -5.159 1.662 1.317 92 HB2 LEU 12 HB2 LEU 12 -3.442 0.237 3.295 93 HB3 LEU 12 HB1 LEU 12 -4.652 1.363 3.911 94 HG LEU 12 HG LEU 12 -5.447 -0.619 1.804 95 HD11 LEU 12 HD11 LEU 12 -4.289 -1.982 3.478 96 HD12 LEU 12 HD12 LEU 12 -6.031 -2.226 3.615 97 HD13 LEU 12 HD13 LEU 12 -5.193 -1.194 4.772 98 HD21 LEU 12 HD21 LEU 12 -7.589 -0.149 2.538 99 HD22 LEU 12 HD22 LEU 12 -6.804 1.370 2.969 100 HD23 LEU 12 HD23 LEU 12 -7.069 0.134 4.200 101 H THR 13 HN THR 13 -2.284 2.955 0.879 102 HA THR 13 HA THR 13 -2.977 5.402 2.354 103 HB THR 13 HB THR 13 -0.594 5.710 2.983 104 HG1 THR 13 HG1 THR 13 -0.437 3.113 1.876 105 HG21 THR 13 HG21 THR 13 -1.820 3.121 3.973 106 HG22 THR 13 HG22 THR 13 -2.214 4.730 4.577 107 HG23 THR 13 HG23 THR 13 -0.595 4.072 4.811 108 H DSN 14 HN DSE 14 -1.913 3.826 -0.444 109 HA DSN 14 HA DSE 14 -1.773 6.327 -1.893 110 HB2 DSN 14 HB1 DSE 14 -2.278 3.569 -2.513 111 HB3 DSN 14 HB2 DSE 14 -0.998 4.176 -3.559 112 HG DSN 14 HG DSE 14 -3.628 5.112 -3.258 113 H GLU 15 HN GLU 15 0.425 3.555 -1.437 114 HA GLU 15 HA GLU 15 2.703 5.402 -1.845 115 HB2 GLU 15 HB2 GLU 15 2.288 3.042 -0.047 116 HB3 GLU 15 HB1 GLU 15 3.916 3.412 -0.618 117 HG2 GLU 15 HG2 GLU 15 2.262 5.656 0.462 118 HG3 GLU 15 HG1 GLU 15 2.957 4.512 1.610 119 H ILE 16 HN ILE 16 1.500 2.119 -2.409 120 HA ILE 16 HA ILE 16 3.579 1.479 -4.280 121 HB ILE 16 HB ILE 16 2.563 -0.233 -2.851 122 HG12 ILE 16 HG12 ILE 16 1.488 -1.169 -5.388 123 HG13 ILE 16 HG11 ILE 16 3.058 -0.391 -5.585 124 HG21 ILE 16 HG21 ILE 16 0.070 -0.466 -4.314 125 HG22 ILE 16 HG22 ILE 16 0.206 1.111 -3.538 126 HG23 ILE 16 HG23 ILE 16 0.334 -0.360 -2.574 127 HD11 ILE 16 HD11 ILE 16 3.318 -2.805 -5.109 128 HD12 ILE 16 HD12 ILE 16 2.431 -2.593 -3.599 129 HD13 ILE 16 HD13 ILE 16 4.000 -1.819 -3.816 130 H ASP 17 HN ASP 17 2.135 3.853 -4.926 131 HA ASP 17 HA ASP 17 0.418 3.089 -7.181 132 HB2 ASP 17 HB2 ASP 17 0.222 5.113 -5.328 133 HB3 ASP 17 HB1 ASP 17 0.888 5.946 -6.729 134 H LEU 18 HN LEU 18 3.324 2.654 -7.231 135 HA LEU 18 HA LEU 18 4.250 4.650 -9.161 136 HB2 LEU 18 HB2 LEU 18 6.049 2.405 -8.566 137 HB3 LEU 18 HB1 LEU 18 6.350 4.139 -8.532 138 HG LEU 18 HG LEU 18 4.900 2.560 -6.382 139 HD11 LEU 18 HD11 LEU 18 7.142 3.888 -5.354 140 HD12 LEU 18 HD12 LEU 18 7.691 3.171 -6.868 141 HD13 LEU 18 HD13 LEU 18 6.971 2.154 -5.620 142 HD21 LEU 18 HD21 LEU 18 5.596 5.054 -5.389 143 HD22 LEU 18 HD22 LEU 18 3.982 4.582 -5.919 144 HD23 LEU 18 HD23 LEU 18 5.066 5.416 -7.032 145 HA PRO 19 HA PRO 19 4.312 0.735 -11.831 146 HB2 PRO 19 HB2 PRO 19 3.197 -1.564 -10.938 147 HB3 PRO 19 HB1 PRO 19 4.854 -1.089 -10.519 148 HG2 PRO 19 HG2 PRO 19 2.398 -1.025 -8.878 149 HG3 PRO 19 HG1 PRO 19 4.082 -1.263 -8.390 150 HD2 PRO 19 HD2 PRO 19 2.605 1.140 -8.196 151 HD3 PRO 19 HD1 PRO 19 4.353 0.958 -7.971 152 H VAL 20 HN VAL 20 1.433 1.245 -9.894 153 HA VAL 20 HA VAL 20 -0.296 0.619 -12.194 154 HB VAL 20 HB VAL 20 -1.109 1.228 -9.344 155 HG11 VAL 20 HG11 VAL 20 -2.846 -0.488 -10.896 156 HG12 VAL 20 HG12 VAL 20 -2.565 1.028 -11.753 157 HG13 VAL 20 HG13 VAL 20 -3.218 1.048 -10.115 158 HG21 VAL 20 HG21 VAL 20 -1.526 -1.400 -9.549 159 HG22 VAL 20 HG22 VAL 20 0.034 -0.763 -9.029 160 HG23 VAL 20 HG23 VAL 20 -0.195 -1.279 -10.699 161 H LYS 21 HN LYS 21 1.127 2.866 -12.647 162 HA LYS 21 HA LYS 21 -0.397 5.190 -11.767 163 HB2 LYS 21 HB2 LYS 21 2.187 5.018 -12.151 164 HB3 LYS 21 HB1 LYS 21 1.766 5.287 -13.842 165 HG2 LYS 21 HG2 LYS 21 0.425 7.301 -13.079 166 HG3 LYS 21 HG1 LYS 21 1.152 7.086 -11.486 167 HD2 LYS 21 HD2 LYS 21 3.418 7.159 -12.647 168 HD3 LYS 21 HD1 LYS 21 2.560 7.697 -14.092 169 HE2 LYS 21 HE2 LYS 21 1.525 9.512 -12.580 170 HE3 LYS 21 HE1 LYS 21 2.792 9.095 -11.427 171 HZ1 LYS 21 HZ1 LYS 21 2.985 10.459 -13.980 172 HZ2 LYS 21 HZ2 LYS 21 4.208 9.322 -13.667 173 HZ3 LYS 21 HZ3 LYS 21 3.946 10.611 -12.591 174 H ARG 22 HN ARG 22 0.606 3.889 -14.943 175 HA ARG 22 HA ARG 22 -1.370 5.416 -16.353 176 HB2 ARG 22 HB2 ARG 22 0.180 3.014 -17.344 177 HB3 ARG 22 HB1 ARG 22 -0.585 4.268 -18.321 178 HG2 ARG 22 HG2 ARG 22 1.405 5.335 -18.275 179 HG3 ARG 22 HG1 ARG 22 1.049 5.702 -16.586 180 HD2 ARG 22 HD2 ARG 22 3.258 4.629 -16.805 181 HD3 ARG 22 HD1 ARG 22 2.149 3.612 -15.891 182 HE ARG 22 HE ARG 22 1.851 2.710 -18.443 183 HH11 ARG 22 HH11 ARG 22 3.141 1.082 -19.362 184 HH12 ARG 22 HH12 ARG 22 4.745 0.816 -18.765 185 HH21 ARG 22 HH21 ARG 22 4.561 3.327 -16.381 186 HH22 ARG 22 HH22 ARG 22 5.549 2.087 -17.078 187 H ARG 23 HN ARG 23 -1.647 2.695 -17.975 188 HA ARG 23 HA ARG 23 -3.437 1.292 -18.352 189 HB2 ARG 23 HB2 ARG 23 -3.662 0.726 -15.442 190 HB3 ARG 23 HB1 ARG 23 -3.548 -0.390 -16.804 191 HG2 ARG 23 HG2 ARG 23 -1.123 0.506 -17.056 192 HG3 ARG 23 HG1 ARG 23 -1.334 1.106 -15.410 193 HD2 ARG 23 HD2 ARG 23 -1.523 -1.761 -16.361 194 HD3 ARG 23 HD1 ARG 23 -0.349 -1.080 -15.238 195 HE ARG 23 HE ARG 23 -2.917 -0.655 -14.176 196 HH11 ARG 23 HH11 ARG 23 -3.694 -2.050 -12.562 197 HH12 ARG 23 HH12 ARG 23 -3.004 -3.629 -12.382 198 HH21 ARG 23 HH21 ARG 23 -0.745 -3.224 -14.983 199 HH22 ARG 23 HH22 ARG 23 -1.334 -4.293 -13.753 200 H ALA 24 HN ALA 24 -5.506 0.602 -16.437 201 HA ALA 24 HA ALA 24 -6.894 3.103 -15.867 202 HB1 ALA 24 HB1 ALA 24 -7.749 2.979 -18.013 203 HB2 ALA 24 HB2 ALA 24 -8.941 2.024 -17.131 204 HB3 ALA 24 HB3 ALA 24 -7.674 1.217 -18.054 Start of MODEL 19 1 H MET 1 HN MET 1 1.209 -8.749 -10.025 2 HA MET 1 HA MET 1 1.237 -10.509 -8.333 3 HB2 MET 1 HB2 MET 1 2.982 -10.518 -10.296 4 HB3 MET 1 HB1 MET 1 4.143 -10.215 -9.001 5 HG2 MET 1 HG2 MET 1 3.083 -12.199 -7.781 6 HG3 MET 1 HG1 MET 1 2.270 -12.570 -9.301 7 HE1 MET 1 HE1 MET 1 5.744 -11.568 -7.817 8 HE2 MET 1 HE2 MET 1 6.637 -13.051 -8.146 9 HE3 MET 1 HE3 MET 1 5.194 -13.106 -7.136 10 H ALA 2 HN ALA 2 1.028 -8.369 -6.706 11 HA ALA 2 HA ALA 2 3.360 -8.391 -4.920 12 HB1 ALA 2 HB1 ALA 2 2.840 -6.226 -4.668 13 HB2 ALA 2 HB2 ALA 2 1.325 -6.706 -3.903 14 HB3 ALA 2 HB3 ALA 2 1.386 -6.434 -5.644 15 HA PRO 3 HA PRO 3 1.445 -10.951 -1.903 16 HB2 PRO 3 HB2 PRO 3 2.097 -9.718 0.458 17 HB3 PRO 3 HB1 PRO 3 3.254 -10.639 -0.521 18 HG2 PRO 3 HG2 PRO 3 2.865 -7.698 -0.315 19 HG3 PRO 3 HG1 PRO 3 4.361 -8.634 -0.471 20 HD2 PRO 3 HD2 PRO 3 3.198 -7.313 -2.572 21 HD3 PRO 3 HD1 PRO 3 4.194 -8.772 -2.770 22 H ARG 4 HN ARG 4 0.262 -10.491 0.494 23 HA ARG 4 HA ARG 4 -1.978 -8.652 -0.115 24 HB2 ARG 4 HB2 ARG 4 -2.321 -11.118 1.559 25 HB3 ARG 4 HB1 ARG 4 -3.528 -10.218 0.641 26 HG2 ARG 4 HG2 ARG 4 -2.269 -10.926 -1.461 27 HG3 ARG 4 HG1 ARG 4 -1.369 -12.042 -0.434 28 HD2 ARG 4 HD2 ARG 4 -3.231 -13.255 -1.380 29 HD3 ARG 4 HD1 ARG 4 -3.565 -12.999 0.330 30 HE ARG 4 HE ARG 4 -4.656 -10.942 -1.384 31 HH11 ARG 4 HH11 ARG 4 -6.923 -10.858 -1.485 32 HH12 ARG 4 HH12 ARG 4 -7.860 -12.191 -0.898 33 HH21 ARG 4 HH21 ARG 4 -5.096 -14.064 0.039 34 HH22 ARG 4 HH22 ARG 4 -6.826 -14.007 -0.035 35 H GLY 5 HN GLY 5 0.419 -8.028 1.379 36 HA2 GLY 5 HA2 GLY 5 -0.855 -7.124 3.840 37 HA3 GLY 5 HA1 GLY 5 0.537 -8.185 4.046 38 H PHE 6 HN PHE 6 2.582 -7.502 3.061 39 HA PHE 6 HA PHE 6 3.428 -4.996 3.802 40 HB2 PHE 6 HB2 PHE 6 4.493 -7.180 2.258 41 HB3 PHE 6 HB1 PHE 6 4.949 -5.646 1.515 42 HD1 PHE 6 HD1 PHE 6 6.054 -3.866 2.933 43 HD2 PHE 6 HD2 PHE 6 5.463 -7.890 4.313 44 HE1 PHE 6 HE1 PHE 6 7.746 -3.505 4.709 45 HE2 PHE 6 HE2 PHE 6 7.155 -7.530 6.089 46 HZ PHE 6 HZ PHE 6 8.296 -5.337 6.288 47 H SER 7 HN SER 7 2.164 -6.001 0.644 48 HA SER 7 HA SER 7 2.358 -3.275 -0.381 49 HB2 SER 7 HB2 SER 7 2.884 -4.839 -2.043 50 HB3 SER 7 HB1 SER 7 1.594 -5.935 -1.554 51 HG SER 7 HG SER 7 1.530 -4.022 -3.390 52 H CYS 8 HN CYS 8 0.191 -5.072 1.432 53 HA CYS 8 HA CYS 8 -2.251 -3.978 0.327 54 HB2 CYS 8 HB2 CYS 8 -1.694 -6.183 1.845 55 HB3 CYS 8 HB1 CYS 8 -2.330 -5.071 3.058 56 HG CYS 8 HG CYS 8 -3.940 -6.325 0.766 57 H LEU 9 HN LEU 9 -0.140 -3.355 3.098 58 HA LEU 9 HA LEU 9 -1.859 -1.320 4.200 59 HB2 LEU 9 HB2 LEU 9 -0.043 -0.930 5.775 60 HB3 LEU 9 HB1 LEU 9 -0.317 -2.664 5.605 61 HG LEU 9 HG LEU 9 1.516 -2.140 3.603 62 HD11 LEU 9 HD11 LEU 9 2.418 -0.636 6.072 63 HD12 LEU 9 HD12 LEU 9 1.743 0.169 4.655 64 HD13 LEU 9 HD13 LEU 9 3.244 -0.748 4.518 65 HD21 LEU 9 HD21 LEU 9 3.150 -3.173 5.260 66 HD22 LEU 9 HD22 LEU 9 1.649 -4.071 5.028 67 HD23 LEU 9 HD23 LEU 9 1.865 -3.072 6.465 68 H LEU 10 HN LEU 10 0.606 -1.448 1.788 69 HA LEU 10 HA LEU 10 1.240 1.381 1.916 70 HB2 LEU 10 HB2 LEU 10 1.956 -0.776 -0.083 71 HB3 LEU 10 HB1 LEU 10 2.534 0.885 -0.177 72 HG LEU 10 HG LEU 10 2.968 -0.955 2.196 73 HD11 LEU 10 HD11 LEU 10 5.239 -1.213 1.414 74 HD12 LEU 10 HD12 LEU 10 4.964 -0.074 0.096 75 HD13 LEU 10 HD13 LEU 10 4.160 -1.644 0.087 76 HD21 LEU 10 HD21 LEU 10 3.636 1.895 1.582 77 HD22 LEU 10 HD22 LEU 10 4.845 0.945 2.443 78 HD23 LEU 10 HD23 LEU 10 3.232 1.143 3.125 79 H LEU 11 HN LEU 11 -1.050 -0.668 0.340 80 HA LEU 11 HA LEU 11 -1.673 1.215 -1.773 81 HB2 LEU 11 HB2 LEU 11 -1.923 -1.205 -2.143 82 HB3 LEU 11 HB1 LEU 11 -3.129 -1.278 -0.857 83 HG LEU 11 HG LEU 11 -3.702 0.791 -2.859 84 HD11 LEU 11 HD11 LEU 11 -3.690 -2.131 -3.672 85 HD12 LEU 11 HD12 LEU 11 -2.673 -0.863 -4.357 86 HD13 LEU 11 HD13 LEU 11 -4.420 -0.821 -4.600 87 HD21 LEU 11 HD21 LEU 11 -5.258 -1.592 -1.799 88 HD22 LEU 11 HD22 LEU 11 -5.936 -0.242 -2.710 89 HD23 LEU 11 HD23 LEU 11 -5.271 0.027 -1.098 90 H LEU 12 HN LEU 12 -2.602 0.677 1.491 91 HA LEU 12 HA LEU 12 -5.210 1.873 1.333 92 HB2 LEU 12 HB2 LEU 12 -3.385 0.979 3.524 93 HB3 LEU 12 HB1 LEU 12 -4.702 2.084 3.921 94 HG LEU 12 HG LEU 12 -5.300 -0.311 2.222 95 HD11 LEU 12 HD11 LEU 12 -5.885 -1.349 4.599 96 HD12 LEU 12 HD12 LEU 12 -4.559 -0.310 5.123 97 HD13 LEU 12 HD13 LEU 12 -4.279 -1.546 3.897 98 HD21 LEU 12 HD21 LEU 12 -6.968 0.722 4.484 99 HD22 LEU 12 HD22 LEU 12 -7.477 0.064 2.928 100 HD23 LEU 12 HD23 LEU 12 -6.844 1.707 3.026 101 H THR 13 HN THR 13 -1.962 3.039 1.648 102 HA THR 13 HA THR 13 -2.920 5.719 2.407 103 HB THR 13 HB THR 13 -0.963 5.988 3.487 104 HG1 THR 13 HG1 THR 13 0.623 6.289 2.174 105 HG21 THR 13 HG21 THR 13 -0.420 3.100 2.765 106 HG22 THR 13 HG22 THR 13 -1.579 3.593 4.000 107 HG23 THR 13 HG23 THR 13 0.134 3.967 4.198 108 H DSN 14 HN DSE 14 -1.424 3.903 -0.176 109 HA DSN 14 HA DSE 14 -1.728 6.234 -1.938 110 HB2 DSN 14 HB1 DSE 14 -2.223 3.450 -2.232 111 HB3 DSN 14 HB2 DSE 14 -0.932 3.879 -3.350 112 HG DSN 14 HG DSE 14 -3.558 4.826 -3.222 113 H GLU 15 HN GLU 15 0.616 3.637 -1.271 114 HA GLU 15 HA GLU 15 2.779 5.486 -2.090 115 HB2 GLU 15 HB2 GLU 15 2.594 3.408 0.069 116 HB3 GLU 15 HB1 GLU 15 4.162 3.801 -0.635 117 HG2 GLU 15 HG2 GLU 15 2.409 6.076 0.172 118 HG3 GLU 15 HG1 GLU 15 3.185 5.151 1.456 119 H ILE 16 HN ILE 16 1.513 2.207 -2.221 120 HA ILE 16 HA ILE 16 3.593 1.281 -3.985 121 HB ILE 16 HB ILE 16 2.598 -0.200 -2.301 122 HG12 ILE 16 HG12 ILE 16 1.513 -1.514 -4.657 123 HG13 ILE 16 HG11 ILE 16 3.069 -0.757 -4.992 124 HG21 ILE 16 HG21 ILE 16 0.368 -0.323 -2.004 125 HG22 ILE 16 HG22 ILE 16 0.095 -0.630 -3.719 126 HG23 ILE 16 HG23 ILE 16 0.236 1.026 -3.131 127 HD11 ILE 16 HD11 ILE 16 3.214 -3.133 -4.117 128 HD12 ILE 16 HD12 ILE 16 2.577 -2.525 -2.589 129 HD13 ILE 16 HD13 ILE 16 4.127 -1.941 -3.190 130 H ASP 17 HN ASP 17 2.078 3.545 -4.914 131 HA ASP 17 HA ASP 17 0.307 2.484 -6.986 132 HB2 ASP 17 HB2 ASP 17 0.976 5.226 -5.959 133 HB3 ASP 17 HB1 ASP 17 0.214 5.041 -7.536 134 H LEU 18 HN LEU 18 2.799 1.514 -7.362 135 HA LEU 18 HA LEU 18 4.030 3.195 -9.443 136 HB2 LEU 18 HB2 LEU 18 5.448 0.752 -8.635 137 HB3 LEU 18 HB1 LEU 18 6.043 2.400 -8.816 138 HG LEU 18 HG LEU 18 4.441 1.352 -6.459 139 HD11 LEU 18 HD11 LEU 18 6.632 1.951 -5.279 140 HD12 LEU 18 HD12 LEU 18 7.356 1.992 -6.887 141 HD13 LEU 18 HD13 LEU 18 6.642 0.499 -6.279 142 HD21 LEU 18 HD21 LEU 18 3.959 3.527 -6.088 143 HD22 LEU 18 HD22 LEU 18 4.950 4.029 -7.458 144 HD23 LEU 18 HD23 LEU 18 5.686 3.810 -5.871 145 HA PRO 19 HA PRO 19 3.359 -0.971 -11.619 146 HB2 PRO 19 HB2 PRO 19 1.746 -2.843 -10.461 147 HB3 PRO 19 HB1 PRO 19 3.489 -2.738 -10.163 148 HG2 PRO 19 HG2 PRO 19 1.237 -1.993 -8.429 149 HG3 PRO 19 HG1 PRO 19 2.887 -2.466 -8.004 150 HD2 PRO 19 HD2 PRO 19 1.835 0.167 -8.064 151 HD3 PRO 19 HD1 PRO 19 3.532 -0.294 -7.834 152 H VAL 20 HN VAL 20 1.501 1.355 -11.072 153 HA VAL 20 HA VAL 20 -0.865 0.314 -12.511 154 HB VAL 20 HB VAL 20 -1.432 0.978 -10.199 155 HG11 VAL 20 HG11 VAL 20 -0.993 3.849 -10.730 156 HG12 VAL 20 HG12 VAL 20 0.486 2.906 -10.535 157 HG13 VAL 20 HG13 VAL 20 -0.725 2.922 -9.253 158 HG21 VAL 20 HG21 VAL 20 -3.407 1.800 -10.944 159 HG22 VAL 20 HG22 VAL 20 -2.695 1.763 -12.556 160 HG23 VAL 20 HG23 VAL 20 -2.641 3.244 -11.602 161 H LYS 21 HN LYS 21 1.668 1.381 -13.539 162 HA LYS 21 HA LYS 21 0.569 3.656 -15.069 163 HB2 LYS 21 HB2 LYS 21 2.752 3.745 -13.254 164 HB3 LYS 21 HB1 LYS 21 3.417 3.877 -14.882 165 HG2 LYS 21 HG2 LYS 21 1.841 5.699 -15.391 166 HG3 LYS 21 HG1 LYS 21 1.153 5.562 -13.772 167 HD2 LYS 21 HD2 LYS 21 4.108 5.935 -13.994 168 HD3 LYS 21 HD1 LYS 21 3.078 7.329 -14.316 169 HE2 LYS 21 HE2 LYS 21 2.793 5.616 -11.838 170 HE3 LYS 21 HE1 LYS 21 3.802 7.061 -11.895 171 HZ1 LYS 21 HZ1 LYS 21 1.636 7.626 -11.070 172 HZ2 LYS 21 HZ2 LYS 21 0.883 6.921 -12.421 173 HZ3 LYS 21 HZ3 LYS 21 1.832 8.318 -12.606 174 H ARG 22 HN ARG 22 2.484 0.761 -14.934 175 HA ARG 22 HA ARG 22 3.586 0.949 -17.572 176 HB2 ARG 22 HB2 ARG 22 4.428 -0.489 -15.620 177 HB3 ARG 22 HB1 ARG 22 3.135 -1.611 -16.045 178 HG2 ARG 22 HG2 ARG 22 4.690 -2.487 -17.461 179 HG3 ARG 22 HG1 ARG 22 4.226 -1.139 -18.500 180 HD2 ARG 22 HD2 ARG 22 6.019 0.234 -17.361 181 HD3 ARG 22 HD1 ARG 22 6.554 -1.244 -16.567 182 HE ARG 22 HE ARG 22 6.412 -1.699 -19.352 183 HH11 ARG 22 HH11 ARG 22 8.343 -1.689 -20.549 184 HH12 ARG 22 HH12 ARG 22 9.750 -0.912 -19.907 185 HH21 ARG 22 HH21 ARG 22 8.188 0.079 -16.973 186 HH22 ARG 22 HH22 ARG 22 9.663 0.090 -17.882 187 H ARG 23 HN ARG 23 2.047 1.265 -19.127 188 HA ARG 23 HA ARG 23 -0.445 -0.122 -19.206 189 HB2 ARG 23 HB2 ARG 23 -0.183 2.035 -20.308 190 HB3 ARG 23 HB1 ARG 23 1.059 1.369 -21.369 191 HG2 ARG 23 HG2 ARG 23 -0.478 0.029 -22.538 192 HG3 ARG 23 HG1 ARG 23 -1.677 0.116 -21.247 193 HD2 ARG 23 HD2 ARG 23 -2.125 2.443 -21.735 194 HD3 ARG 23 HD1 ARG 23 -0.799 2.502 -22.893 195 HE ARG 23 HE ARG 23 -2.233 1.586 -24.461 196 HH11 ARG 23 HH11 ARG 23 -4.167 0.615 -25.151 197 HH12 ARG 23 HH12 ARG 23 -5.292 0.011 -23.980 198 HH21 ARG 23 HH21 ARG 23 -3.357 0.931 -21.253 199 HH22 ARG 23 HH22 ARG 23 -4.834 0.190 -21.774 200 H ALA 24 HN ALA 24 2.439 -0.374 -21.303 201 HA ALA 24 HA ALA 24 1.547 -3.058 -22.113 202 HB1 ALA 24 HB1 ALA 24 3.724 -2.580 -23.649 203 HB2 ALA 24 HB2 ALA 24 3.192 -0.927 -23.347 204 HB3 ALA 24 HB3 ALA 24 2.093 -2.083 -24.097 Start of MODEL 20 1 H MET 1 HN MET 1 8.822 -8.912 5.063 2 HA MET 1 HA MET 1 8.993 -9.091 2.688 3 HB2 MET 1 HB2 MET 1 11.334 -10.036 3.014 4 HB3 MET 1 HB1 MET 1 10.576 -11.624 3.130 5 HG2 MET 1 HG2 MET 1 9.448 -11.113 0.904 6 HG3 MET 1 HG1 MET 1 10.518 -9.717 0.781 7 HE1 MET 1 HE1 MET 1 9.921 -13.271 0.094 8 HE2 MET 1 HE2 MET 1 10.564 -13.541 1.711 9 HE3 MET 1 HE3 MET 1 11.446 -14.140 0.309 10 H ALA 2 HN ALA 2 6.733 -9.432 3.068 11 HA ALA 2 HA ALA 2 5.848 -12.049 2.221 12 HB1 ALA 2 HB1 ALA 2 5.610 -12.836 4.316 13 HB2 ALA 2 HB2 ALA 2 4.163 -11.828 4.325 14 HB3 ALA 2 HB3 ALA 2 5.662 -11.226 5.037 15 HA PRO 3 HA PRO 3 3.211 -8.641 0.570 16 HB2 PRO 3 HB2 PRO 3 2.243 -10.911 -1.091 17 HB3 PRO 3 HB1 PRO 3 2.775 -9.294 -1.589 18 HG2 PRO 3 HG2 PRO 3 4.280 -11.464 -1.983 19 HG3 PRO 3 HG1 PRO 3 4.984 -9.881 -1.612 20 HD2 PRO 3 HD2 PRO 3 4.700 -12.273 0.154 21 HD3 PRO 3 HD1 PRO 3 5.959 -11.018 0.138 22 H ARG 4 HN ARG 4 0.726 -9.782 -0.492 23 HA ARG 4 HA ARG 4 -1.436 -10.049 0.260 24 HB2 ARG 4 HB2 ARG 4 0.163 -12.181 1.615 25 HB3 ARG 4 HB1 ARG 4 -1.523 -11.960 2.086 26 HG2 ARG 4 HG2 ARG 4 -2.320 -12.445 -0.076 27 HG3 ARG 4 HG1 ARG 4 -0.751 -12.145 -0.821 28 HD2 ARG 4 HD2 ARG 4 -0.803 -14.288 1.223 29 HD3 ARG 4 HD1 ARG 4 -1.694 -14.631 -0.258 30 HE ARG 4 HE ARG 4 1.164 -14.480 0.021 31 HH11 ARG 4 HH11 ARG 4 2.374 -14.792 -1.877 32 HH12 ARG 4 HH12 ARG 4 1.599 -14.672 -3.421 33 HH21 ARG 4 HH21 ARG 4 -1.527 -13.969 -2.094 34 HH22 ARG 4 HH22 ARG 4 -0.610 -14.206 -3.543 35 H GLY 5 HN GLY 5 0.605 -8.311 1.845 36 HA2 GLY 5 HA2 GLY 5 -1.272 -7.311 3.743 37 HA3 GLY 5 HA1 GLY 5 0.000 -8.226 4.547 38 H PHE 6 HN PHE 6 2.285 -7.624 3.746 39 HA PHE 6 HA PHE 6 2.912 -5.041 4.483 40 HB2 PHE 6 HB2 PHE 6 4.311 -7.291 3.474 41 HB3 PHE 6 HB1 PHE 6 4.804 -5.900 2.507 42 HD1 PHE 6 HD1 PHE 6 6.341 -4.340 3.368 43 HD2 PHE 6 HD2 PHE 6 4.297 -7.003 6.047 44 HE1 PHE 6 HE1 PHE 6 7.753 -3.537 5.242 45 HE2 PHE 6 HE2 PHE 6 5.709 -6.201 7.922 46 HZ PHE 6 HZ PHE 6 7.437 -4.468 7.519 47 H SER 7 HN SER 7 2.885 -6.252 1.122 48 HA SER 7 HA SER 7 2.952 -3.582 0.042 49 HB2 SER 7 HB2 SER 7 2.934 -6.347 -1.038 50 HB3 SER 7 HB1 SER 7 2.299 -5.085 -2.089 51 HG SER 7 HG SER 7 4.415 -4.027 -1.117 52 H CYS 8 HN CYS 8 0.607 -4.875 1.703 53 HA CYS 8 HA CYS 8 -1.581 -4.212 -0.157 54 HB2 CYS 8 HB2 CYS 8 -2.782 -5.827 0.849 55 HB3 CYS 8 HB1 CYS 8 -1.272 -6.329 1.610 56 HG CYS 8 HG CYS 8 -1.891 -4.835 3.684 57 H LEU 9 HN LEU 9 -0.326 -3.502 3.085 58 HA LEU 9 HA LEU 9 -2.330 -1.518 3.644 59 HB2 LEU 9 HB2 LEU 9 -1.005 -1.037 5.633 60 HB3 LEU 9 HB1 LEU 9 -1.168 -2.782 5.432 61 HG LEU 9 HG LEU 9 1.109 -2.181 3.966 62 HD11 LEU 9 HD11 LEU 9 1.016 0.110 5.024 63 HD12 LEU 9 HD12 LEU 9 2.496 -0.785 5.369 64 HD13 LEU 9 HD13 LEU 9 1.230 -0.670 6.591 65 HD21 LEU 9 HD21 LEU 9 0.806 -3.100 6.842 66 HD22 LEU 9 HD22 LEU 9 2.285 -3.261 5.896 67 HD23 LEU 9 HD23 LEU 9 0.828 -4.127 5.409 68 H LEU 10 HN LEU 10 0.554 -1.568 1.824 69 HA LEU 10 HA LEU 10 1.154 1.255 2.133 70 HB2 LEU 10 HB2 LEU 10 2.234 -0.836 0.226 71 HB3 LEU 10 HB1 LEU 10 2.842 0.812 0.355 72 HG LEU 10 HG LEU 10 2.760 -1.180 2.643 73 HD11 LEU 10 HD11 LEU 10 5.216 -1.275 2.344 74 HD12 LEU 10 HD12 LEU 10 5.073 -0.245 0.919 75 HD13 LEU 10 HD13 LEU 10 4.366 -1.861 0.914 76 HD21 LEU 10 HD21 LEU 10 2.823 0.863 3.730 77 HD22 LEU 10 HD22 LEU 10 3.575 1.689 2.366 78 HD23 LEU 10 HD23 LEU 10 4.545 0.656 3.414 79 H LEU 11 HN LEU 11 -0.888 -0.708 0.205 80 HA LEU 11 HA LEU 11 -1.031 1.027 -2.081 81 HB2 LEU 11 HB2 LEU 11 -1.620 -1.478 -1.961 82 HB3 LEU 11 HB1 LEU 11 -3.152 -0.950 -1.264 83 HG LEU 11 HG LEU 11 -2.949 0.735 -3.404 84 HD11 LEU 11 HD11 LEU 11 -0.865 -0.647 -4.043 85 HD12 LEU 11 HD12 LEU 11 -2.079 -0.395 -5.298 86 HD13 LEU 11 HD13 LEU 11 -2.000 -1.936 -4.445 87 HD21 LEU 11 HD21 LEU 11 -4.924 -0.584 -2.784 88 HD22 LEU 11 HD22 LEU 11 -4.133 -2.060 -3.337 89 HD23 LEU 11 HD23 LEU 11 -4.571 -0.807 -4.497 90 H LEU 12 HN LEU 12 -2.921 0.574 0.876 91 HA LEU 12 HA LEU 12 -5.070 2.278 0.227 92 HB2 LEU 12 HB2 LEU 12 -3.917 1.817 2.985 93 HB3 LEU 12 HB1 LEU 12 -5.569 2.286 2.582 94 HG LEU 12 HG LEU 12 -4.240 -0.330 1.812 95 HD11 LEU 12 HD11 LEU 12 -6.198 -1.158 3.329 96 HD12 LEU 12 HD12 LEU 12 -6.174 0.486 3.971 97 HD13 LEU 12 HD13 LEU 12 -4.739 -0.532 4.097 98 HD21 LEU 12 HD21 LEU 12 -5.792 0.044 0.105 99 HD22 LEU 12 HD22 LEU 12 -6.876 0.957 1.155 100 HD23 LEU 12 HD23 LEU 12 -6.784 -0.799 1.295 101 H THR 13 HN THR 13 -2.169 2.954 2.201 102 HA THR 13 HA THR 13 -2.579 5.647 2.671 103 HB THR 13 HB THR 13 -0.127 5.828 2.888 104 HG1 THR 13 HG1 THR 13 1.140 4.095 2.279 105 HG21 THR 13 HG21 THR 13 -0.759 4.913 4.867 106 HG22 THR 13 HG22 THR 13 -0.019 3.443 4.232 107 HG23 THR 13 HG23 THR 13 -1.759 3.687 4.088 108 H DSN 14 HN DSE 14 -0.868 4.172 -0.086 109 HA DSN 14 HA DSE 14 -1.062 6.752 -1.513 110 HB2 DSN 14 HB1 DSE 14 -2.773 4.801 -2.105 111 HB3 DSN 14 HB2 DSE 14 -1.404 4.221 -3.050 112 HG DSN 14 HG DSE 14 -2.921 6.528 -3.356 113 H GLU 15 HN GLU 15 0.873 4.319 -0.374 114 HA GLU 15 HA GLU 15 3.234 5.292 -1.512 115 HB2 GLU 15 HB2 GLU 15 2.455 3.124 0.239 116 HB3 GLU 15 HB1 GLU 15 3.725 2.609 -0.873 117 HG2 GLU 15 HG2 GLU 15 3.852 5.164 0.749 118 HG3 GLU 15 HG1 GLU 15 4.581 3.644 1.262 119 H ILE 16 HN ILE 16 1.903 2.039 -2.156 120 HA ILE 16 HA ILE 16 3.278 2.004 -4.723 121 HB ILE 16 HB ILE 16 1.506 -0.137 -3.541 122 HG12 ILE 16 HG12 ILE 16 4.487 0.319 -3.189 123 HG13 ILE 16 HG11 ILE 16 3.264 0.483 -1.927 124 HG21 ILE 16 HG21 ILE 16 3.836 -0.944 -5.081 125 HG22 ILE 16 HG22 ILE 16 2.795 0.125 -6.021 126 HG23 ILE 16 HG23 ILE 16 2.140 -1.359 -5.329 127 HD11 ILE 16 HD11 ILE 16 4.534 -1.928 -2.964 128 HD12 ILE 16 HD12 ILE 16 2.774 -2.037 -2.996 129 HD13 ILE 16 HD13 ILE 16 3.610 -1.700 -1.480 130 H ASP 17 HN ASP 17 1.760 3.887 -5.308 131 HA ASP 17 HA ASP 17 -0.856 2.930 -6.254 132 HB2 ASP 17 HB2 ASP 17 -0.404 5.167 -4.947 133 HB3 ASP 17 HB1 ASP 17 0.069 5.763 -6.536 134 H LEU 18 HN LEU 18 2.121 4.463 -7.402 135 HA LEU 18 HA LEU 18 1.243 4.105 -10.182 136 HB2 LEU 18 HB2 LEU 18 3.885 5.317 -9.713 137 HB3 LEU 18 HB1 LEU 18 2.568 5.844 -10.752 138 HG LEU 18 HG LEU 18 2.584 6.176 -7.733 139 HD11 LEU 18 HD11 LEU 18 3.159 8.167 -9.939 140 HD12 LEU 18 HD12 LEU 18 4.334 7.529 -8.788 141 HD13 LEU 18 HD13 LEU 18 3.014 8.552 -8.224 142 HD21 LEU 18 HD21 LEU 18 0.646 7.584 -8.118 143 HD22 LEU 18 HD22 LEU 18 0.349 6.038 -8.910 144 HD23 LEU 18 HD23 LEU 18 0.832 7.438 -9.865 145 HA PRO 19 HA PRO 19 5.287 1.596 -10.001 146 HB2 PRO 19 HB2 PRO 19 6.085 0.815 -7.432 147 HB3 PRO 19 HB1 PRO 19 6.798 2.114 -8.398 148 HG2 PRO 19 HG2 PRO 19 5.210 2.305 -6.018 149 HG3 PRO 19 HG1 PRO 19 6.040 3.587 -6.908 150 HD2 PRO 19 HD2 PRO 19 3.207 2.957 -6.868 151 HD3 PRO 19 HD1 PRO 19 4.024 4.342 -7.614 152 H VAL 20 HN VAL 20 2.346 1.019 -9.054 153 HA VAL 20 HA VAL 20 2.598 -1.747 -8.161 154 HB VAL 20 HB VAL 20 0.827 -0.309 -7.208 155 HG11 VAL 20 HG11 VAL 20 -0.776 0.762 -8.491 156 HG12 VAL 20 HG12 VAL 20 -0.657 -0.409 -9.804 157 HG13 VAL 20 HG13 VAL 20 0.590 0.822 -9.604 158 HG21 VAL 20 HG21 VAL 20 0.580 -2.921 -8.129 159 HG22 VAL 20 HG22 VAL 20 -0.870 -2.133 -8.749 160 HG23 VAL 20 HG23 VAL 20 -0.528 -2.115 -7.020 161 H LYS 21 HN LYS 21 3.564 -0.858 -10.814 162 HA LYS 21 HA LYS 21 2.149 -2.876 -12.405 163 HB2 LYS 21 HB2 LYS 21 1.134 -0.666 -12.950 164 HB3 LYS 21 HB1 LYS 21 2.729 -0.092 -13.440 165 HG2 LYS 21 HG2 LYS 21 2.862 -1.842 -15.153 166 HG3 LYS 21 HG1 LYS 21 1.298 -2.481 -14.643 167 HD2 LYS 21 HD2 LYS 21 0.144 -0.537 -15.384 168 HD3 LYS 21 HD1 LYS 21 1.639 0.383 -15.542 169 HE2 LYS 21 HE2 LYS 21 2.292 -0.767 -17.485 170 HE3 LYS 21 HE1 LYS 21 1.216 -2.124 -17.154 171 HZ1 LYS 21 HZ1 LYS 21 -0.660 -0.513 -17.452 172 HZ2 LYS 21 HZ2 LYS 21 0.220 -0.866 -18.861 173 HZ3 LYS 21 HZ3 LYS 21 0.472 0.602 -18.044 174 H ARG 22 HN ARG 22 4.837 -0.547 -12.302 175 HA ARG 22 HA ARG 22 6.623 -2.660 -13.300 176 HB2 ARG 22 HB2 ARG 22 5.780 -0.374 -14.817 177 HB3 ARG 22 HB1 ARG 22 7.501 -0.230 -14.461 178 HG2 ARG 22 HG2 ARG 22 6.208 -2.723 -15.604 179 HG3 ARG 22 HG1 ARG 22 7.026 -1.498 -16.574 180 HD2 ARG 22 HD2 ARG 22 9.039 -2.362 -16.071 181 HD3 ARG 22 HD1 ARG 22 8.695 -2.265 -14.346 182 HE ARG 22 HE ARG 22 8.211 -4.531 -14.383 183 HH11 ARG 22 HH11 ARG 22 7.935 -6.542 -15.402 184 HH12 ARG 22 HH12 ARG 22 7.796 -6.621 -17.128 185 HH21 ARG 22 HH21 ARG 22 8.101 -3.196 -17.574 186 HH22 ARG 22 HH22 ARG 22 7.890 -4.726 -18.356 187 H ARG 23 HN ARG 23 8.525 -2.719 -12.251 188 HA ARG 23 HA ARG 23 8.985 -0.777 -10.130 189 HB2 ARG 23 HB2 ARG 23 10.944 -2.334 -9.631 190 HB3 ARG 23 HB1 ARG 23 9.333 -3.034 -9.472 191 HG2 ARG 23 HG2 ARG 23 9.509 -4.185 -11.540 192 HG3 ARG 23 HG1 ARG 23 10.899 -3.225 -12.047 193 HD2 ARG 23 HD2 ARG 23 11.262 -4.684 -9.506 194 HD3 ARG 23 HD1 ARG 23 11.082 -5.711 -10.925 195 HE ARG 23 HE ARG 23 12.944 -3.596 -11.410 196 HH11 ARG 23 HH11 ARG 23 15.143 -4.162 -11.501 197 HH12 ARG 23 HH12 ARG 23 15.670 -5.674 -10.840 198 HH21 ARG 23 HH21 ARG 23 12.498 -6.640 -9.824 199 HH22 ARG 23 HH22 ARG 23 14.173 -7.076 -9.890 200 H ALA 24 HN ALA 24 9.244 0.185 -12.831 201 HA ALA 24 HA ALA 24 10.708 1.293 -14.230 202 HB1 ALA 24 HB1 ALA 24 12.165 1.843 -11.638 203 HB2 ALA 24 HB2 ALA 24 10.693 2.679 -12.128 204 HB3 ALA 24 HB3 ALA 24 12.160 2.837 -13.094
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