NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1726 | 1aw6 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -12.220 -15.245 -15.245 2 2H MET 1 2H MET 1 -10.807 -15.290 -15.290 3 3H MET 1 3H MET 1 -11.323 -13.841 -13.841 4 HA MET 1 HA MET 1 -9.507 -14.678 -14.678 5 1HB MET 1 1HB MET 1 -11.310 -17.162 -17.162 6 2HB MET 1 2HB MET 1 -9.725 -16.899 -16.899 7 1HG MET 1 1HG MET 1 -9.965 -16.992 -16.992 8 2HG MET 1 2HG MET 1 -9.960 -18.484 -18.484 9 1HE MET 1 1HE MET 1 -8.200 -18.903 -18.903 10 2HE MET 1 2HE MET 1 -6.464 -18.717 -18.717 11 3HE MET 1 3HE MET 1 -7.307 -17.455 -17.455 12 H LYS 2 H LYS 2 -10.482 -12.744 -12.744 13 HA LYS 2 HA LYS 2 -11.683 -13.150 -13.150 14 1HB LYS 2 1HB LYS 2 -13.664 -13.382 -13.382 15 2HB LYS 2 2HB LYS 2 -13.370 -11.728 -11.728 16 1HG LYS 2 1HG LYS 2 -15.081 -11.436 -11.436 17 2HG LYS 2 2HG LYS 2 -13.628 -11.087 -11.087 18 1HD LYS 2 1HD LYS 2 -14.761 -12.528 -12.528 19 2HD LYS 2 2HD LYS 2 -13.799 -13.732 -13.732 20 1HE LYS 2 1HE LYS 2 -16.201 -13.178 -13.178 21 2HE LYS 2 2HE LYS 2 -16.727 -13.499 -13.499 22 1HZ LYS 2 1HZ LYS 2 -14.984 -15.423 -15.423 23 2HZ LYS 2 2HZ LYS 2 -15.239 -15.248 -15.248 24 3HZ LYS 2 3HZ LYS 2 -16.531 -15.598 -15.598 25 H LEU 3 H LEU 3 -10.599 -11.889 -11.889 26 HA LEU 3 HA LEU 3 -9.973 -9.791 -9.791 27 1HB LEU 3 1HB LEU 3 -12.216 -9.107 -9.107 28 2HB LEU 3 2HB LEU 3 -10.995 -8.123 -8.123 29 HG LEU 3 HG LEU 3 -11.087 -7.929 -7.929 30 1HD1 LEU 3 1HD1 LEU 3 -13.541 -8.083 -8.083 31 2HD1 LEU 3 2HD1 LEU 3 -13.307 -6.653 -6.653 32 3HD1 LEU 3 3HD1 LEU 3 -13.121 -6.521 -6.521 33 1HD2 LEU 3 1HD2 LEU 3 -9.788 -6.431 -6.431 34 2HD2 LEU 3 2HD2 LEU 3 -10.202 -5.815 -5.815 35 3HD2 LEU 3 3HD2 LEU 3 -11.260 -5.453 -5.453 36 H LEU 4 H LEU 4 -8.226 -8.699 -8.699 37 HA LEU 4 HA LEU 4 -6.769 -8.060 -8.060 38 1HB LEU 4 1HB LEU 4 -5.630 -9.923 -9.923 39 2HB LEU 4 2HB LEU 4 -4.600 -9.087 -9.087 40 HG LEU 4 HG LEU 4 -6.830 -10.908 -10.908 41 1HD1 LEU 4 1HD1 LEU 4 -4.305 -11.728 -11.728 42 2HD1 LEU 4 2HD1 LEU 4 -4.701 -12.645 -12.645 43 3HD1 LEU 4 3HD1 LEU 4 -5.866 -12.559 -12.559 44 1HD2 LEU 4 1HD2 LEU 4 -5.253 -9.373 -9.373 45 2HD2 LEU 4 2HD2 LEU 4 -5.546 -11.066 -11.066 46 3HD2 LEU 4 3HD2 LEU 4 -4.025 -10.631 -10.631 47 H SER 5 H SER 5 -6.633 -8.096 -8.096 48 HA SER 5 HA SER 5 -4.955 -5.581 -5.581 49 1HB SER 5 1HB SER 5 -5.520 -6.095 -6.095 50 2HB SER 5 2HB SER 5 -4.038 -6.521 -6.521 51 HG SER 5 HG SER 5 -4.981 -8.555 -8.555 52 H SER 6 H SER 6 -5.492 -4.057 -4.057 53 HA SER 6 HA SER 6 -7.995 -2.717 -2.717 54 1HB SER 6 1HB SER 6 -7.385 -1.306 -1.306 55 2HB SER 6 2HB SER 6 -6.514 -1.060 -1.060 56 HG SER 6 HG SER 6 -4.808 -1.622 -1.622 57 H ILE 7 H ILE 7 -8.833 -1.738 -1.738 58 HA ILE 7 HA ILE 7 -9.635 -4.195 -4.195 59 HB ILE 7 HB ILE 7 -11.806 -4.545 -4.545 60 1HG1 ILE 7 1HG1 ILE 7 -12.994 -2.789 -2.789 61 2HG1 ILE 7 2HG1 ILE 7 -13.584 -2.771 -2.771 62 1HG2 ILE 7 1HG2 ILE 7 -10.738 -4.081 -4.081 63 2HG2 ILE 7 2HG2 ILE 7 -11.877 -2.760 -2.760 64 3HG2 ILE 7 3HG2 ILE 7 -12.469 -4.424 -4.424 65 1HD1 ILE 7 1HD1 ILE 7 -11.290 -0.873 -0.873 66 2HD1 ILE 7 2HD1 ILE 7 -12.719 -0.492 -0.492 67 3HD1 ILE 7 3HD1 ILE 7 -12.871 -0.648 -0.648 68 H GLU 8 H GLU 8 -8.218 -1.658 -1.658 69 HA GLU 8 HA GLU 8 -9.312 -1.260 -1.260 70 1HB GLU 8 1HB GLU 8 -10.383 0.684 0.684 71 2HB GLU 8 2HB GLU 8 -9.253 0.885 0.885 72 1HG GLU 8 1HG GLU 8 -7.650 2.080 2.080 73 2HG GLU 8 2HG GLU 8 -8.290 1.453 1.453 74 H GLN 9 H GLN 9 -7.682 -2.399 -2.399 75 HA GLN 9 HA GLN 9 -4.950 -1.919 -1.919 76 1HB GLN 9 1HB GLN 9 -6.383 -3.827 -3.827 77 2HB GLN 9 2HB GLN 9 -4.791 -3.439 -3.439 78 1HG GLN 9 1HG GLN 9 -4.156 -5.250 -5.250 79 2HG GLN 9 2HG GLN 9 -3.964 -3.983 -3.983 80 1HE2 GLN 9 1HE2 GLN 9 -7.240 -6.396 -6.396 81 2HE2 GLN 9 2HE2 GLN 9 -6.946 -5.659 -5.659 82 H ALA 10 H ALA 10 -3.480 -0.636 -0.636 83 HA ALA 10 HA ALA 10 -2.829 0.068 0.068 84 1HB ALA 10 1HB ALA 10 -5.053 1.203 1.203 85 2HB ALA 10 2HB ALA 10 -4.650 2.199 2.199 86 3HB ALA 10 3HB ALA 10 -3.770 2.423 2.423 87 H CYS 11 H CYS 11 -0.697 0.894 0.894 88 HA CYS 11 HA CYS 11 0.266 1.093 1.093 89 1HB CYS 11 1HB CYS 11 2.529 1.136 1.136 90 2HB CYS 11 2HB CYS 11 1.535 -0.136 -0.136 91 H ASP 12 H ASP 12 1.993 2.671 2.671 92 HA ASP 12 HA ASP 12 0.626 5.243 5.243 93 1HB ASP 12 1HB ASP 12 2.239 4.900 4.900 94 2HB ASP 12 2HB ASP 12 3.401 4.170 4.170 95 H ILE 13 H ILE 13 3.106 4.047 4.047 96 HA ILE 13 HA ILE 13 3.777 6.691 6.691 97 HB ILE 13 HB ILE 13 4.316 3.792 3.792 98 1HG1 ILE 13 1HG1 ILE 13 6.067 4.550 4.550 99 2HG1 ILE 13 2HG1 ILE 13 6.751 4.774 4.774 100 1HG2 ILE 13 1HG2 ILE 13 3.719 4.989 4.989 101 2HG2 ILE 13 2HG2 ILE 13 5.149 6.014 6.014 102 3HG2 ILE 13 3HG2 ILE 13 5.356 4.292 4.292 103 1HD1 ILE 13 1HD1 ILE 13 6.044 7.257 7.257 104 2HD1 ILE 13 2HD1 ILE 13 5.634 7.015 7.015 105 3HD1 ILE 13 3HD1 ILE 13 7.312 6.785 6.785 106 H CYS 14 H CYS 14 1.314 4.413 4.413 107 HA CYS 14 HA CYS 14 0.641 5.792 5.792 108 1HB CYS 14 1HB CYS 14 -0.609 3.501 3.501 109 2HB CYS 14 2HB CYS 14 -1.537 4.253 4.253 110 H ARG 15 H ARG 15 -0.479 5.828 5.828 111 HA ARG 15 HA ARG 15 -2.583 7.711 7.711 112 1HB ARG 15 1HB ARG 15 -0.328 7.272 7.272 113 2HB ARG 15 2HB ARG 15 -1.281 8.732 8.732 114 1HG ARG 15 1HG ARG 15 -3.253 7.516 7.516 115 2HG ARG 15 2HG ARG 15 -2.829 6.107 6.107 116 1HD ARG 15 1HD ARG 15 -2.303 5.205 5.205 117 2HD ARG 15 2HD ARG 15 -0.745 6.036 6.036 118 HE ARG 15 HE ARG 15 -3.003 6.922 6.922 119 1HH1 ARG 15 1HH1 ARG 15 0.056 7.782 7.782 120 2HH1 ARG 15 2HH1 ARG 15 0.342 9.112 9.112 121 1HH2 ARG 15 1HH2 ARG 15 -2.625 8.376 8.376 122 2HH2 ARG 15 2HH2 ARG 15 -1.111 9.439 9.439 123 H LEU 16 H LEU 16 0.861 8.515 8.515 124 HA LEU 16 HA LEU 16 0.290 11.423 11.423 125 1HB LEU 16 1HB LEU 16 2.917 9.808 9.808 126 2HB LEU 16 2HB LEU 16 2.875 11.560 11.560 127 HG LEU 16 HG LEU 16 1.465 10.837 10.837 128 1HD1 LEU 16 1HD1 LEU 16 2.331 8.434 8.434 129 2HD1 LEU 16 2HD1 LEU 16 3.982 9.043 9.043 130 3HD1 LEU 16 3HD1 LEU 16 2.851 9.175 9.175 131 1HD2 LEU 16 1HD2 LEU 16 3.151 12.713 12.713 132 2HD2 LEU 16 2HD2 LEU 16 3.459 11.795 11.795 133 3HD2 LEU 16 3HD2 LEU 16 4.465 11.524 11.524 134 H LYS 17 H LYS 17 1.670 9.077 9.077 135 HA LYS 17 HA LYS 17 2.203 11.219 11.219 136 1HB LYS 17 1HB LYS 17 2.339 8.128 8.128 137 2HB LYS 17 2HB LYS 17 2.954 9.252 9.252 138 1HG LYS 17 1HG LYS 17 3.985 9.534 9.534 139 2HG LYS 17 2HG LYS 17 4.545 8.156 8.156 140 1HD LYS 17 1HD LYS 17 5.558 9.670 9.670 141 2HD LYS 17 2HD LYS 17 4.718 11.078 11.078 142 1HE LYS 17 1HE LYS 17 6.210 9.652 9.652 143 2HE LYS 17 2HE LYS 17 7.308 10.075 10.075 144 1HZ LYS 17 1HZ LYS 17 5.398 12.146 12.146 145 2HZ LYS 17 2HZ LYS 17 6.563 11.785 11.785 146 3HZ LYS 17 3HZ LYS 17 7.031 12.261 12.261 147 H LYS 18 H LYS 18 -0.424 9.295 9.295 148 HA LYS 18 HA LYS 18 -2.464 8.782 8.782 149 1HB LYS 18 1HB LYS 18 -1.687 11.334 11.334 150 2HB LYS 18 2HB LYS 18 -2.998 10.325 10.325 151 1HG LYS 18 1HG LYS 18 -4.332 10.653 10.653 152 2HG LYS 18 2HG LYS 18 -2.941 11.224 11.224 153 1HD LYS 18 1HD LYS 18 -4.825 12.886 12.886 154 2HD LYS 18 2HD LYS 18 -3.127 13.400 13.400 155 1HE LYS 18 1HE LYS 18 -4.087 11.872 11.872 156 2HE LYS 18 2HE LYS 18 -4.661 13.537 13.537 157 1HZ LYS 18 1HZ LYS 18 -1.871 13.293 13.293 158 2HZ LYS 18 2HZ LYS 18 -2.221 12.786 12.786 159 3HZ LYS 18 3HZ LYS 18 -2.653 14.333 14.333 160 H LEU 19 H LEU 19 -1.375 6.902 6.902 161 HA LEU 19 HA LEU 19 -0.882 6.427 6.427 162 1HB LEU 19 1HB LEU 19 0.859 5.545 5.545 163 2HB LEU 19 2HB LEU 19 0.842 4.595 4.595 164 HG LEU 19 HG LEU 19 2.207 6.038 6.038 165 1HD1 LEU 19 1HD1 LEU 19 0.941 8.413 8.413 166 2HD1 LEU 19 2HD1 LEU 19 2.201 8.575 8.575 167 3HD1 LEU 19 3HD1 LEU 19 0.601 7.920 7.920 168 1HD2 LEU 19 1HD2 LEU 19 2.756 6.804 6.804 169 2HD2 LEU 19 2HD2 LEU 19 3.646 5.636 5.636 170 3HD2 LEU 19 3HD2 LEU 19 3.763 7.386 7.386 171 H LYS 20 H LYS 20 -1.304 4.399 4.399 172 HA LYS 20 HA LYS 20 -3.404 2.918 2.918 173 1HB LYS 20 1HB LYS 20 -1.911 1.941 1.941 174 2HB LYS 20 2HB LYS 20 -3.492 1.416 1.416 175 1HG LYS 20 1HG LYS 20 -4.265 2.971 2.971 176 2HG LYS 20 2HG LYS 20 -4.014 4.124 4.124 177 1HD LYS 20 1HD LYS 20 -2.597 5.248 5.248 178 2HD LYS 20 2HD LYS 20 -1.477 3.872 3.872 179 1HE LYS 20 1HE LYS 20 -2.103 4.264 4.264 180 2HE LYS 20 2HE LYS 20 -2.813 2.724 2.724 181 1HZ LYS 20 1HZ LYS 20 -4.261 5.323 5.323 182 2HZ LYS 20 2HZ LYS 20 -4.392 4.177 4.177 183 3HZ LYS 20 3HZ LYS 20 -4.903 3.805 3.805 184 H CYS 21 H CYS 21 -3.368 0.843 0.843 185 HA CYS 21 HA CYS 21 -0.545 -0.077 -0.077 186 1HB CYS 21 1HB CYS 21 -1.615 1.425 1.425 187 2HB CYS 21 2HB CYS 21 -2.905 0.228 0.228 188 H SER 22 H SER 22 -1.068 -1.561 -1.561 189 HA SER 22 HA SER 22 -2.792 -3.770 -3.770 190 1HB SER 22 1HB SER 22 -0.726 -5.250 -5.250 191 2HB SER 22 2HB SER 22 -1.114 -3.912 -3.912 192 HG SER 22 HG SER 22 0.652 -3.375 -3.375 193 H LYS 23 H LYS 23 -0.358 -3.087 -3.087 194 HA LYS 23 HA LYS 23 -0.566 -3.710 -3.710 195 1HB LYS 23 1HB LYS 23 -2.747 -5.662 -5.662 196 2HB LYS 23 2HB LYS 23 -2.331 -5.458 -5.458 197 1HG LYS 23 1HG LYS 23 -2.768 -2.812 -2.812 198 2HG LYS 23 2HG LYS 23 -3.681 -3.469 -3.469 199 1HD LYS 23 1HD LYS 23 -4.870 -4.907 -4.907 200 2HD LYS 23 2HD LYS 23 -4.203 -3.615 -3.615 201 1HE LYS 23 1HE LYS 23 -5.771 -2.088 -2.088 202 2HE LYS 23 2HE LYS 23 -5.354 -2.389 -2.389 203 1HZ LYS 23 1HZ LYS 23 -6.921 -4.429 -4.429 204 2HZ LYS 23 2HZ LYS 23 -7.685 -3.023 -3.023 205 3HZ LYS 23 3HZ LYS 23 -6.919 -4.022 -4.022 206 H GLU 24 H GLU 24 0.643 -5.505 -5.505 207 HA GLU 24 HA GLU 24 1.609 -7.865 -7.865 208 1HB GLU 24 1HB GLU 24 3.989 -7.067 -7.067 209 2HB GLU 24 2HB GLU 24 2.680 -7.547 -7.547 210 1HG GLU 24 1HG GLU 24 2.081 -4.952 -4.952 211 2HG GLU 24 2HG GLU 24 3.644 -4.670 -4.670 212 H LYS 25 H LYS 25 3.537 -8.395 -8.395 213 HA LYS 25 HA LYS 25 3.928 -6.487 -6.487 214 1HB LYS 25 1HB LYS 25 2.805 -9.368 -9.368 215 2HB LYS 25 2HB LYS 25 3.497 -8.568 -8.568 216 1HG LYS 25 1HG LYS 25 1.734 -6.734 -6.734 217 2HG LYS 25 2HG LYS 25 1.081 -7.506 -7.506 218 1HD LYS 25 1HD LYS 25 0.145 -9.299 -9.299 219 2HD LYS 25 2HD LYS 25 1.294 -9.084 -9.084 220 1HE LYS 25 1HE LYS 25 0.237 -6.689 -6.689 221 2HE LYS 25 2HE LYS 25 -1.070 -7.211 -7.211 222 1HZ LYS 25 1HZ LYS 25 -0.830 -9.319 -9.319 223 2HZ LYS 25 2HZ LYS 25 -0.506 -8.022 -8.022 224 3HZ LYS 25 3HZ LYS 25 -1.946 -8.070 -8.070 225 HA PRO 26 HA PRO 26 4.854 -6.609 -6.609 226 1HB PRO 26 1HB PRO 26 7.102 -5.169 -5.169 227 2HB PRO 26 2HB PRO 26 6.829 -6.940 -6.940 228 1HG PRO 26 1HG PRO 26 8.289 -6.089 -6.089 229 2HG PRO 26 2HG PRO 26 8.936 -6.949 -6.949 230 1HD PRO 26 1HD PRO 26 8.042 -8.160 -8.160 231 2HD PRO 26 2HD PRO 26 7.492 -8.817 -8.817 232 H LYS 27 H LYS 27 7.170 -5.346 -5.346 233 HA LYS 27 HA LYS 27 5.609 -2.714 -2.714 234 1HB LYS 27 1HB LYS 27 8.078 -2.930 -2.930 235 2HB LYS 27 2HB LYS 27 7.587 -1.642 -1.642 236 1HG LYS 27 1HG LYS 27 8.401 -4.257 -4.257 237 2HG LYS 27 2HG LYS 27 9.686 -3.405 -3.405 238 1HD LYS 27 1HD LYS 27 9.745 -1.720 -1.720 239 2HD LYS 27 2HD LYS 27 7.982 -1.690 -1.690 240 1HE LYS 27 1HE LYS 27 7.968 -3.368 -3.368 241 2HE LYS 27 2HE LYS 27 9.291 -4.280 -4.280 242 1HZ LYS 27 1HZ LYS 27 10.441 -1.898 -1.898 243 2HZ LYS 27 2HZ LYS 27 9.414 -2.264 -2.264 244 3HZ LYS 27 3HZ LYS 27 10.583 -3.372 -3.372 245 H CYS 28 H CYS 28 4.434 -2.050 -2.050 246 HA CYS 28 HA CYS 28 3.630 -3.840 -3.840 247 1HB CYS 28 1HB CYS 28 2.943 -1.576 -1.576 248 2HB CYS 28 2HB CYS 28 2.133 -2.049 -2.049 249 H ALA 29 H ALA 29 3.763 -2.846 -2.846 250 HA ALA 29 HA ALA 29 6.543 -3.181 -3.181 251 1HB ALA 29 1HB ALA 29 4.458 -3.594 -3.594 252 2HB ALA 29 2HB ALA 29 4.053 -1.862 -1.862 253 3HB ALA 29 3HB ALA 29 5.514 -2.405 -2.405 254 H LYS 30 H LYS 30 4.438 -0.451 -0.451 255 HA LYS 30 HA LYS 30 6.009 1.767 1.767 256 1HB LYS 30 1HB LYS 30 3.760 1.273 1.273 257 2HB LYS 30 2HB LYS 30 4.914 1.917 1.917 258 1HG LYS 30 1HG LYS 30 3.200 3.506 3.506 259 2HG LYS 30 2HG LYS 30 4.729 4.088 4.088 260 1HD LYS 30 1HD LYS 30 5.435 3.003 3.003 261 2HD LYS 30 2HD LYS 30 3.814 3.671 3.671 262 1HE LYS 30 1HE LYS 30 5.103 5.653 5.653 263 2HE LYS 30 2HE LYS 30 6.368 5.151 5.151 264 1HZ LYS 30 1HZ LYS 30 4.025 5.310 5.310 265 2HZ LYS 30 2HZ LYS 30 4.057 6.686 6.686 266 3HZ LYS 30 3HZ LYS 30 5.352 6.342 6.342 267 H CYS 31 H CYS 31 6.082 0.631 0.631 268 HA CYS 31 HA CYS 31 8.331 2.378 2.378 269 1HB CYS 31 1HB CYS 31 7.331 -0.135 -0.135 270 2HB CYS 31 2HB CYS 31 8.415 1.080 1.080 271 H LEU 32 H LEU 32 8.185 -0.960 -0.960 272 HA LEU 32 HA LEU 32 11.046 -1.495 -1.495 273 1HB LEU 32 1HB LEU 32 9.052 -3.172 -3.172 274 2HB LEU 32 2HB LEU 32 9.399 -2.724 -2.724 275 HG LEU 32 HG LEU 32 11.341 -4.130 -4.130 276 1HD1 LEU 32 1HD1 LEU 32 9.412 -5.556 -5.556 277 2HD1 LEU 32 2HD1 LEU 32 10.028 -5.245 -5.245 278 3HD1 LEU 32 3HD1 LEU 32 11.033 -6.140 -6.140 279 1HD2 LEU 32 1HD2 LEU 32 12.514 -2.575 -2.575 280 2HD2 LEU 32 2HD2 LEU 32 12.910 -4.287 -4.287 281 3HD2 LEU 32 3HD2 LEU 32 11.753 -3.441 -3.441 282 H LYS 33 H LYS 33 9.318 0.096 0.096 283 HA LYS 33 HA LYS 33 11.615 -0.023 -0.023 284 1HB LYS 33 1HB LYS 33 8.963 1.591 1.591 285 2HB LYS 33 2HB LYS 33 10.184 1.854 1.854 286 1HG LYS 33 1HG LYS 33 9.920 -0.961 -0.961 287 2HG LYS 33 2HG LYS 33 8.290 -0.469 -0.469 288 1HD LYS 33 1HD LYS 33 8.312 -0.593 -0.593 289 2HD LYS 33 2HD LYS 33 8.402 1.146 1.146 290 1HE LYS 33 1HE LYS 33 10.258 1.070 1.070 291 2HE LYS 33 2HE LYS 33 11.117 0.595 0.595 292 1HZ LYS 33 1HZ LYS 33 10.663 -1.737 -1.737 293 2HZ LYS 33 2HZ LYS 33 9.907 -1.274 -1.274 294 3HZ LYS 33 3HZ LYS 33 11.545 -0.966 -0.966 295 H ASN 34 H ASN 34 10.498 2.078 2.078 296 HA ASN 34 HA ASN 34 12.666 4.090 4.090 297 1HB ASN 34 1HB ASN 34 9.874 4.350 4.350 298 2HB ASN 34 2HB ASN 34 11.061 5.534 5.534 299 1HD2 ASN 34 1HD2 ASN 34 9.253 5.929 5.929 300 2HD2 ASN 34 2HD2 ASN 34 9.051 4.367 4.367 301 H ASN 35 H ASN 35 12.499 1.571 1.571 302 HA ASN 35 HA ASN 35 13.166 1.072 1.072 303 1HB ASN 35 1HB ASN 35 15.417 1.558 1.558 304 2HB ASN 35 2HB ASN 35 15.061 3.245 3.245 305 1HD2 ASN 35 1HD2 ASN 35 15.489 2.934 2.934 306 2HD2 ASN 35 2HD2 ASN 35 14.223 1.868 1.868 307 H TRP 36 H TRP 36 11.189 1.568 1.568 308 HA TRP 36 HA TRP 36 11.201 4.139 4.139 309 1HB TRP 36 1HB TRP 36 8.947 2.844 2.844 310 2HB TRP 36 2HB TRP 36 8.555 3.960 3.960 311 HD1 TRP 36 HD1 TRP 36 11.424 5.753 5.753 312 HE1 TRP 36 HE1 TRP 36 11.061 7.611 7.611 313 HE3 TRP 36 HE3 TRP 36 7.109 3.818 3.818 314 HZ2 TRP 36 HZ2 TRP 36 9.030 8.011 8.011 315 HZ3 TRP 36 HZ3 TRP 36 6.091 4.873 4.873 316 HH2 TRP 36 HH2 TRP 36 6.981 6.982 6.982 317 H GLU 37 H GLU 37 9.354 3.985 3.985 318 HA GLU 37 HA GLU 37 9.845 1.294 1.294 319 1HB GLU 37 1HB GLU 37 10.757 3.491 3.491 320 2HB GLU 37 2HB GLU 37 9.107 4.021 4.021 321 1HG GLU 37 1HG GLU 37 8.668 2.225 2.225 322 2HG GLU 37 2HG GLU 37 10.161 1.403 1.403 323 H CYS 38 H CYS 38 8.081 0.881 0.881 324 HA CYS 38 HA CYS 38 5.363 1.490 1.490 325 1HB CYS 38 1HB CYS 38 6.463 -0.239 -0.239 326 2HB CYS 38 2HB CYS 38 6.368 -1.430 -1.430 327 H ARG 39 H ARG 39 4.809 2.072 2.072 328 HA ARG 39 HA ARG 39 4.293 -0.310 -0.310 329 1HB ARG 39 1HB ARG 39 5.783 1.727 1.727 330 2HB ARG 39 2HB ARG 39 4.318 2.690 2.690 331 1HG ARG 39 1HG ARG 39 3.677 1.853 1.853 332 2HG ARG 39 2HG ARG 39 3.846 0.189 0.189 333 1HD ARG 39 1HD ARG 39 6.053 0.000 0.000 334 2HD ARG 39 2HD ARG 39 6.425 1.721 1.721 335 HE ARG 39 HE ARG 39 4.868 0.562 0.562 336 1HH1 ARG 39 1HH1 ARG 39 6.237 3.392 3.392 337 2HH1 ARG 39 2HH1 ARG 39 6.082 4.373 4.373 338 1HH2 ARG 39 1HH2 ARG 39 4.731 1.685 1.685 339 2HH2 ARG 39 2HH2 ARG 39 5.263 3.451 3.451 340 H TYR 40 H TYR 40 2.484 -1.021 -1.021 341 HA TYR 40 HA TYR 40 0.101 0.883 0.883 342 1HB TYR 40 1HB TYR 40 -1.277 -1.219 -1.219 343 2HB TYR 40 2HB TYR 40 -0.432 -0.222 -0.222 344 HD1 TYR 40 HD1 TYR 40 2.172 -1.166 -1.166 345 HD2 TYR 40 HD2 TYR 40 -1.102 -3.528 -3.528 346 HE1 TYR 40 HE1 TYR 40 2.726 -2.970 -2.970 347 HE2 TYR 40 HE2 TYR 40 -0.628 -5.239 -5.239 348 HH TYR 40 HH TYR 40 2.086 -5.452 -5.452 349 H SER 41 H SER 41 1.265 0.454 0.454 350 HA SER 41 HA SER 41 -1.081 -0.759 -0.759 351 1HB SER 41 1HB SER 41 0.190 -2.779 -2.779 352 2HB SER 41 2HB SER 41 1.737 -1.963 -1.963 353 HG SER 41 HG SER 41 -0.292 -1.829 -1.829 354 HA PRO 42 HA PRO 42 0.030 3.501 3.501 355 1HB PRO 42 1HB PRO 42 -2.647 2.713 2.713 356 2HB PRO 42 2HB PRO 42 -2.058 4.393 4.393 357 1HG PRO 42 1HG PRO 42 -3.591 2.664 2.664 358 2HG PRO 42 2HG PRO 42 -2.116 3.678 3.678 359 1HD PRO 42 1HD PRO 42 -2.609 0.751 0.751 360 2HD PRO 42 2HD PRO 42 -1.670 1.387 1.387 361 H LYS 43 H LYS 43 -1.951 1.876 1.876 362 HA LYS 43 HA LYS 43 0.321 1.939 1.939 363 1HB LYS 43 1HB LYS 43 -0.723 4.405 4.405 364 2HB LYS 43 2HB LYS 43 -2.063 3.781 3.781 365 1HG LYS 43 1HG LYS 43 -0.746 4.580 4.580 366 2HG LYS 43 2HG LYS 43 -0.042 2.968 2.968 367 1HD LYS 43 1HD LYS 43 1.934 3.827 3.827 368 2HD LYS 43 2HD LYS 43 1.116 5.305 5.305 369 1HE LYS 43 1HE LYS 43 2.187 6.225 6.225 370 2HE LYS 43 2HE LYS 43 0.719 5.661 5.661 371 1HZ LYS 43 1HZ LYS 43 2.794 3.648 3.648 372 2HZ LYS 43 2HZ LYS 43 3.172 4.926 4.926 373 3HZ LYS 43 3HZ LYS 43 1.804 3.992 3.992 Start of MODEL 2 1 1H MET 1 1H MET 1 -9.960 9.074 9.074 2 2H MET 1 2H MET 1 -8.836 9.892 9.892 3 3H MET 1 3H MET 1 -9.771 10.737 10.737 4 HA MET 1 HA MET 1 -10.788 11.245 11.245 5 1HB MET 1 1HB MET 1 -9.352 9.186 9.186 6 2HB MET 1 2HB MET 1 -10.859 8.308 8.308 7 1HG MET 1 1HG MET 1 -11.453 9.087 9.087 8 2HG MET 1 2HG MET 1 -11.735 10.658 10.658 9 1HE MET 1 1HE MET 1 -10.189 12.328 12.328 10 2HE MET 1 2HE MET 1 -8.772 12.789 12.789 11 3HE MET 1 3HE MET 1 -10.421 12.861 12.861 12 H LYS 2 H LYS 2 -12.932 10.912 10.912 13 HA LYS 2 HA LYS 2 -14.857 10.668 10.668 14 1HB LYS 2 1HB LYS 2 -14.851 10.340 10.340 15 2HB LYS 2 2HB LYS 2 -16.201 9.514 9.514 16 1HG LYS 2 1HG LYS 2 -16.741 11.761 11.761 17 2HG LYS 2 2HG LYS 2 -15.489 12.520 12.520 18 1HD LYS 2 1HD LYS 2 -18.295 11.830 11.830 19 2HD LYS 2 2HD LYS 2 -17.206 12.953 12.953 20 1HE LYS 2 1HE LYS 2 -16.037 10.941 10.941 21 2HE LYS 2 2HE LYS 2 -17.240 9.866 9.866 22 1HZ LYS 2 1HZ LYS 2 -17.943 12.187 12.187 23 2HZ LYS 2 2HZ LYS 2 -17.807 10.600 10.600 24 3HZ LYS 2 3HZ LYS 2 -18.988 11.007 11.007 25 H LEU 3 H LEU 3 -14.922 8.036 8.036 26 HA LEU 3 HA LEU 3 -14.273 5.960 5.960 27 1HB LEU 3 1HB LEU 3 -16.459 4.912 4.912 28 2HB LEU 3 2HB LEU 3 -16.535 6.573 6.573 29 HG LEU 3 HG LEU 3 -18.577 6.428 6.428 30 1HD1 LEU 3 1HD1 LEU 3 -16.680 7.276 7.276 31 2HD1 LEU 3 2HD1 LEU 3 -18.450 7.447 7.447 32 3HD1 LEU 3 3HD1 LEU 3 -17.532 8.321 8.321 33 1HD2 LEU 3 1HD2 LEU 3 -17.903 4.000 4.000 34 2HD2 LEU 3 2HD2 LEU 3 -19.277 4.878 4.878 35 3HD2 LEU 3 3HD2 LEU 3 -17.711 4.882 4.882 36 H LEU 4 H LEU 4 -15.323 3.788 3.788 37 HA LEU 4 HA LEU 4 -15.627 2.394 2.394 38 1HB LEU 4 1HB LEU 4 -14.821 2.811 2.811 39 2HB LEU 4 2HB LEU 4 -15.377 4.385 4.385 40 HG LEU 4 HG LEU 4 -12.705 3.494 3.494 41 1HD1 LEU 4 1HD1 LEU 4 -14.481 5.568 5.568 42 2HD1 LEU 4 2HD1 LEU 4 -13.259 6.431 6.431 43 3HD1 LEU 4 3HD1 LEU 4 -12.780 5.542 5.542 44 1HD2 LEU 4 1HD2 LEU 4 -12.803 4.465 4.465 45 2HD2 LEU 4 2HD2 LEU 4 -11.423 3.864 3.864 46 3HD2 LEU 4 3HD2 LEU 4 -11.878 5.588 5.588 47 H SER 5 H SER 5 -13.926 2.552 2.552 48 HA SER 5 HA SER 5 -11.819 0.629 0.629 49 1HB SER 5 1HB SER 5 -10.421 2.062 2.062 50 2HB SER 5 2HB SER 5 -10.064 2.080 2.080 51 HG SER 5 HG SER 5 -11.678 3.873 3.873 52 H SER 6 H SER 6 -13.143 2.181 2.181 53 HA SER 6 HA SER 6 -13.658 1.212 1.212 54 1HB SER 6 1HB SER 6 -15.089 -0.729 -0.729 55 2HB SER 6 2HB SER 6 -15.415 0.119 0.119 56 HG SER 6 HG SER 6 -13.947 -2.272 -2.272 57 H ILE 7 H ILE 7 -11.020 1.217 1.217 58 HA ILE 7 HA ILE 7 -9.718 -0.452 -0.452 59 HB ILE 7 HB ILE 7 -10.756 -2.219 -2.219 60 1HG1 ILE 7 1HG1 ILE 7 -10.828 -3.081 -3.081 61 2HG1 ILE 7 2HG1 ILE 7 -9.637 -4.067 -4.067 62 1HG2 ILE 7 1HG2 ILE 7 -7.657 -2.065 -2.065 63 2HG2 ILE 7 2HG2 ILE 7 -8.535 -3.553 -3.553 64 3HG2 ILE 7 3HG2 ILE 7 -8.749 -2.055 -2.055 65 1HD1 ILE 7 1HD1 ILE 7 -7.757 -2.587 -2.587 66 2HD1 ILE 7 2HD1 ILE 7 -9.000 -1.906 -1.906 67 3HD1 ILE 7 3HD1 ILE 7 -8.648 -3.642 -3.642 68 H GLU 8 H GLU 8 -7.475 -0.079 -0.079 69 HA GLU 8 HA GLU 8 -6.874 1.906 1.906 70 1HB GLU 8 1HB GLU 8 -4.796 2.203 2.203 71 2HB GLU 8 2HB GLU 8 -6.254 3.165 3.165 72 1HG GLU 8 1HG GLU 8 -7.297 1.497 1.497 73 2HG GLU 8 2HG GLU 8 -5.761 0.672 0.672 74 H GLN 9 H GLN 9 -6.770 -0.568 -0.568 75 HA GLN 9 HA GLN 9 -3.858 -1.202 -1.202 76 1HB GLN 9 1HB GLN 9 -6.452 -2.328 -2.328 77 2HB GLN 9 2HB GLN 9 -5.248 -2.340 -2.340 78 1HG GLN 9 1HG GLN 9 -3.760 -3.832 -3.832 79 2HG GLN 9 2HG GLN 9 -4.475 -3.449 -3.449 80 1HE2 GLN 9 1HE2 GLN 9 -5.444 -6.886 -6.886 81 2HE2 GLN 9 2HE2 GLN 9 -3.906 -5.901 -5.901 82 H ALA 10 H ALA 10 -3.485 -1.621 -1.621 83 HA ALA 10 HA ALA 10 -2.477 -0.348 -0.348 84 1HB ALA 10 1HB ALA 10 -4.738 0.616 0.616 85 2HB ALA 10 2HB ALA 10 -4.482 1.855 1.855 86 3HB ALA 10 3HB ALA 10 -3.506 1.870 1.870 87 H CYS 11 H CYS 11 -0.491 0.805 0.805 88 HA CYS 11 HA CYS 11 0.375 1.138 1.138 89 1HB CYS 11 1HB CYS 11 2.678 1.320 1.320 90 2HB CYS 11 2HB CYS 11 1.771 -0.017 -0.017 91 H ASP 12 H ASP 12 2.009 2.833 2.833 92 HA ASP 12 HA ASP 12 0.639 5.389 5.389 93 1HB ASP 12 1HB ASP 12 2.621 4.527 4.527 94 2HB ASP 12 2HB ASP 12 3.700 5.047 5.047 95 H ILE 13 H ILE 13 3.285 4.234 4.234 96 HA ILE 13 HA ILE 13 3.820 6.774 6.774 97 HB ILE 13 HB ILE 13 4.270 3.860 3.860 98 1HG1 ILE 13 1HG1 ILE 13 5.999 4.732 4.732 99 2HG1 ILE 13 2HG1 ILE 13 6.714 4.599 4.599 100 1HG2 ILE 13 1HG2 ILE 13 3.693 5.119 5.119 101 2HG2 ILE 13 2HG2 ILE 13 5.109 6.109 6.109 102 3HG2 ILE 13 3HG2 ILE 13 5.294 4.350 4.350 103 1HD1 ILE 13 1HD1 ILE 13 5.593 7.335 7.335 104 2HD1 ILE 13 2HD1 ILE 13 7.181 6.799 6.799 105 3HD1 ILE 13 3HD1 ILE 13 6.862 6.912 6.912 106 H CYS 14 H CYS 14 1.315 4.507 4.507 107 HA CYS 14 HA CYS 14 0.641 5.832 5.832 108 1HB CYS 14 1HB CYS 14 -0.658 3.598 3.598 109 2HB CYS 14 2HB CYS 14 -1.534 4.313 4.313 110 H ARG 15 H ARG 15 -0.426 5.959 5.959 111 HA ARG 15 HA ARG 15 -2.503 7.882 7.882 112 1HB ARG 15 1HB ARG 15 -0.373 7.232 7.232 113 2HB ARG 15 2HB ARG 15 -1.011 8.859 8.859 114 1HG ARG 15 1HG ARG 15 -2.533 7.687 7.687 115 2HG ARG 15 2HG ARG 15 -3.421 7.594 7.594 116 1HD ARG 15 1HD ARG 15 -3.044 5.294 5.294 117 2HD ARG 15 2HD ARG 15 -1.406 5.375 5.375 118 HE ARG 15 HE ARG 15 -2.511 5.707 5.707 119 1HH1 ARG 15 1HH1 ARG 15 -4.406 4.270 4.270 120 2HH1 ARG 15 2HH1 ARG 15 -5.526 3.434 3.434 121 1HH2 ARG 15 1HH2 ARG 15 -3.764 4.775 4.775 122 2HH2 ARG 15 2HH2 ARG 15 -5.183 3.706 3.706 123 H LEU 16 H LEU 16 0.960 8.621 8.621 124 HA LEU 16 HA LEU 16 0.471 11.530 11.530 125 1HB LEU 16 1HB LEU 16 3.043 9.865 9.865 126 2HB LEU 16 2HB LEU 16 3.039 11.616 11.616 127 HG LEU 16 HG LEU 16 1.764 10.433 10.433 128 1HD1 LEU 16 1HD1 LEU 16 3.378 8.573 8.573 129 2HD1 LEU 16 2HD1 LEU 16 4.726 9.733 9.733 130 3HD1 LEU 16 3HD1 LEU 16 3.865 9.466 9.466 131 1HD2 LEU 16 1HD2 LEU 16 4.163 12.359 12.359 132 2HD2 LEU 16 2HD2 LEU 16 2.480 12.812 12.812 133 3HD2 LEU 16 3HD2 LEU 16 3.434 11.950 11.950 134 H LYS 17 H LYS 17 1.735 9.193 9.193 135 HA LYS 17 HA LYS 17 2.066 11.339 11.339 136 1HB LYS 17 1HB LYS 17 2.251 8.252 8.252 137 2HB LYS 17 2HB LYS 17 2.630 9.333 9.333 138 1HG LYS 17 1HG LYS 17 4.084 9.295 9.295 139 2HG LYS 17 2HG LYS 17 4.692 8.568 8.568 140 1HD LYS 17 1HD LYS 17 3.997 11.479 11.479 141 2HD LYS 17 2HD LYS 17 5.209 11.151 11.151 142 1HE LYS 17 1HE LYS 17 6.827 10.389 10.389 143 2HE LYS 17 2HE LYS 17 5.643 9.599 9.599 144 1HZ LYS 17 1HZ LYS 17 5.408 12.491 12.491 145 2HZ LYS 17 2HZ LYS 17 6.826 11.916 11.916 146 3HZ LYS 17 3HZ LYS 17 5.334 11.450 11.450 147 H LYS 18 H LYS 18 -0.425 9.328 9.328 148 HA LYS 18 HA LYS 18 -2.493 8.649 8.649 149 1HB LYS 18 1HB LYS 18 -2.169 11.403 11.403 150 2HB LYS 18 2HB LYS 18 -3.488 10.326 10.326 151 1HG LYS 18 1HG LYS 18 -3.378 10.321 10.321 152 2HG LYS 18 2HG LYS 18 -3.153 12.000 12.000 153 1HD LYS 18 1HD LYS 18 -5.466 11.982 11.982 154 2HD LYS 18 2HD LYS 18 -5.353 11.343 11.343 155 1HE LYS 18 1HE LYS 18 -6.330 9.369 9.369 156 2HE LYS 18 2HE LYS 18 -4.944 9.046 9.046 157 1HZ LYS 18 1HZ LYS 18 -5.974 10.427 10.427 158 2HZ LYS 18 2HZ LYS 18 -7.309 10.698 10.698 159 3HZ LYS 18 3HZ LYS 18 -6.965 9.144 9.144 160 H LEU 19 H LEU 19 -1.333 6.960 6.960 161 HA LEU 19 HA LEU 19 -1.180 6.696 6.696 162 1HB LEU 19 1HB LEU 19 0.610 5.353 5.353 163 2HB LEU 19 2HB LEU 19 0.556 4.810 4.810 164 HG LEU 19 HG LEU 19 2.122 6.296 6.296 165 1HD1 LEU 19 1HD1 LEU 19 0.410 8.144 8.144 166 2HD1 LEU 19 2HD1 LEU 19 0.713 8.542 8.542 167 3HD1 LEU 19 3HD1 LEU 19 2.000 8.775 8.775 168 1HD2 LEU 19 1HD2 LEU 19 2.307 6.908 6.908 169 2HD2 LEU 19 2HD2 LEU 19 3.240 5.685 5.685 170 3HD2 LEU 19 3HD2 LEU 19 3.509 7.423 7.423 171 H LYS 20 H LYS 20 -1.174 4.348 4.348 172 HA LYS 20 HA LYS 20 -3.484 3.010 3.010 173 1HB LYS 20 1HB LYS 20 -1.906 2.377 2.377 174 2HB LYS 20 2HB LYS 20 -3.026 1.205 1.205 175 1HG LYS 20 1HG LYS 20 -4.432 3.775 3.775 176 2HG LYS 20 2HG LYS 20 -3.597 3.591 3.591 177 1HD LYS 20 1HD LYS 20 -4.779 1.416 1.416 178 2HD LYS 20 2HD LYS 20 -5.469 1.479 1.479 179 1HE LYS 20 1HE LYS 20 -5.917 3.817 3.817 180 2HE LYS 20 2HE LYS 20 -6.972 2.395 2.395 181 1HZ LYS 20 1HZ LYS 20 -7.002 2.816 2.816 182 2HZ LYS 20 2HZ LYS 20 -6.669 4.393 4.393 183 3HZ LYS 20 3HZ LYS 20 -8.048 3.615 3.615 184 H CYS 21 H CYS 21 -3.460 0.950 0.950 185 HA CYS 21 HA CYS 21 -0.658 0.015 0.015 186 1HB CYS 21 1HB CYS 21 -2.019 1.489 1.489 187 2HB CYS 21 2HB CYS 21 -3.042 0.064 0.064 188 H SER 22 H SER 22 -1.100 -1.422 -1.422 189 HA SER 22 HA SER 22 -2.780 -3.668 -3.668 190 1HB SER 22 1HB SER 22 -0.681 -5.088 -5.088 191 2HB SER 22 2HB SER 22 -1.002 -3.696 -3.696 192 HG SER 22 HG SER 22 0.810 -2.826 -2.826 193 H LYS 23 H LYS 23 -0.320 -3.086 -3.086 194 HA LYS 23 HA LYS 23 -0.689 -3.639 -3.639 195 1HB LYS 23 1HB LYS 23 -2.854 -5.520 -5.520 196 2HB LYS 23 2HB LYS 23 -2.418 -5.570 -5.570 197 1HG LYS 23 1HG LYS 23 -2.838 -2.780 -2.780 198 2HG LYS 23 2HG LYS 23 -4.043 -3.541 -3.541 199 1HD LYS 23 1HD LYS 23 -4.414 -4.946 -4.946 200 2HD LYS 23 2HD LYS 23 -3.796 -3.408 -3.408 201 1HE LYS 23 1HE LYS 23 -6.293 -3.266 -3.266 202 2HE LYS 23 2HE LYS 23 -5.528 -2.116 -2.116 203 1HZ LYS 23 1HZ LYS 23 -5.993 -4.824 -4.824 204 2HZ LYS 23 2HZ LYS 23 -7.332 -3.827 -3.827 205 3HZ LYS 23 3HZ LYS 23 -6.070 -3.341 -3.341 206 H GLU 24 H GLU 24 0.608 -5.457 -5.457 207 HA GLU 24 HA GLU 24 1.495 -7.830 -7.830 208 1HB GLU 24 1HB GLU 24 3.912 -7.147 -7.147 209 2HB GLU 24 2HB GLU 24 2.615 -7.474 -7.474 210 1HG GLU 24 1HG GLU 24 2.280 -5.024 -5.024 211 2HG GLU 24 2HG GLU 24 3.438 -4.603 -4.603 212 H LYS 25 H LYS 25 3.478 -8.394 -8.394 213 HA LYS 25 HA LYS 25 3.876 -6.588 -6.588 214 1HB LYS 25 1HB LYS 25 3.005 -9.563 -9.563 215 2HB LYS 25 2HB LYS 25 3.323 -8.544 -8.544 216 1HG LYS 25 1HG LYS 25 1.156 -7.733 -7.733 217 2HG LYS 25 2HG LYS 25 1.327 -7.198 -7.198 218 1HD LYS 25 1HD LYS 25 -0.279 -8.769 -8.769 219 2HD LYS 25 2HD LYS 25 0.989 -9.993 -9.993 220 1HE LYS 25 1HE LYS 25 -0.655 -10.716 -10.716 221 2HE LYS 25 2HE LYS 25 0.499 -9.837 -9.837 222 1HZ LYS 25 1HZ LYS 25 -1.666 -8.294 -8.294 223 2HZ LYS 25 2HZ LYS 25 -2.041 -9.287 -9.287 224 3HZ LYS 25 3HZ LYS 25 -0.892 -8.071 -8.071 225 HA PRO 26 HA PRO 26 4.850 -6.725 -6.725 226 1HB PRO 26 1HB PRO 26 7.110 -5.303 -5.303 227 2HB PRO 26 2HB PRO 26 6.840 -7.084 -7.084 228 1HG PRO 26 1HG PRO 26 8.270 -6.183 -6.183 229 2HG PRO 26 2HG PRO 26 8.933 -7.078 -7.078 230 1HD PRO 26 1HD PRO 26 8.007 -8.233 -8.233 231 2HD PRO 26 2HD PRO 26 7.483 -8.932 -8.932 232 H LYS 27 H LYS 27 7.140 -5.424 -5.424 233 HA LYS 27 HA LYS 27 5.653 -2.772 -2.772 234 1HB LYS 27 1HB LYS 27 7.720 -2.337 -2.337 235 2HB LYS 27 2HB LYS 27 7.817 -1.996 -1.996 236 1HG LYS 27 1HG LYS 27 8.432 -4.816 -4.816 237 2HG LYS 27 2HG LYS 27 9.242 -4.057 -4.057 238 1HD LYS 27 1HD LYS 27 10.257 -4.325 -4.325 239 2HD LYS 27 2HD LYS 27 10.839 -3.130 -3.130 240 1HE LYS 27 1HE LYS 27 10.292 -1.601 -1.601 241 2HE LYS 27 2HE LYS 27 8.683 -1.694 -1.694 242 1HZ LYS 27 1HZ LYS 27 8.301 -3.660 -3.660 243 2HZ LYS 27 2HZ LYS 27 9.679 -3.168 -3.168 244 3HZ LYS 27 3HZ LYS 27 8.356 -2.136 -2.136 245 H CYS 28 H CYS 28 4.356 -2.086 -2.086 246 HA CYS 28 HA CYS 28 3.537 -3.788 -3.788 247 1HB CYS 28 1HB CYS 28 2.895 -1.493 -1.493 248 2HB CYS 28 2HB CYS 28 2.074 -1.961 -1.961 249 H ALA 29 H ALA 29 3.691 -2.760 -2.760 250 HA ALA 29 HA ALA 29 6.433 -3.106 -3.106 251 1HB ALA 29 1HB ALA 29 4.325 -3.373 -3.373 252 2HB ALA 29 2HB ALA 29 3.998 -1.629 -1.629 253 3HB ALA 29 3HB ALA 29 5.426 -2.205 -2.205 254 H LYS 30 H LYS 30 4.483 -0.269 -0.269 255 HA LYS 30 HA LYS 30 6.244 1.850 1.850 256 1HB LYS 30 1HB LYS 30 4.574 1.433 1.433 257 2HB LYS 30 2HB LYS 30 5.249 2.987 2.987 258 1HG LYS 30 1HG LYS 30 3.498 1.494 1.494 259 2HG LYS 30 2HG LYS 30 2.703 2.252 2.252 260 1HD LYS 30 1HD LYS 30 2.758 3.676 3.676 261 2HD LYS 30 2HD LYS 30 3.561 4.471 4.471 262 1HE LYS 30 1HE LYS 30 5.711 4.289 4.289 263 2HE LYS 30 2HE LYS 30 5.397 2.705 2.705 264 1HZ LYS 30 1HZ LYS 30 3.925 3.851 3.851 265 2HZ LYS 30 2HZ LYS 30 4.429 5.331 5.331 266 3HZ LYS 30 3HZ LYS 30 5.542 4.299 4.299 267 H CYS 31 H CYS 31 6.146 0.539 0.539 268 HA CYS 31 HA CYS 31 8.504 2.162 2.162 269 1HB CYS 31 1HB CYS 31 7.187 -0.102 -0.102 270 2HB CYS 31 2HB CYS 31 8.187 1.195 1.195 271 H LEU 32 H LEU 32 8.180 -1.057 -1.057 272 HA LEU 32 HA LEU 32 11.031 -1.701 -1.701 273 1HB LEU 32 1HB LEU 32 9.237 -3.464 -3.464 274 2HB LEU 32 2HB LEU 32 9.144 -2.817 -2.817 275 HG LEU 32 HG LEU 32 11.434 -4.416 -4.416 276 1HD1 LEU 32 1HD1 LEU 32 9.461 -5.703 -5.703 277 2HD1 LEU 32 2HD1 LEU 32 9.638 -4.940 -4.940 278 3HD1 LEU 32 3HD1 LEU 32 10.907 -6.022 -6.022 279 1HD2 LEU 32 1HD2 LEU 32 11.475 -2.996 -2.996 280 2HD2 LEU 32 2HD2 LEU 32 12.556 -2.680 -2.680 281 3HD2 LEU 32 3HD2 LEU 32 12.650 -4.229 -4.229 282 H LYS 33 H LYS 33 9.375 -0.166 -0.166 283 HA LYS 33 HA LYS 33 11.740 -0.379 -0.379 284 1HB LYS 33 1HB LYS 33 9.108 1.265 1.265 285 2HB LYS 33 2HB LYS 33 10.348 1.418 1.418 286 1HG LYS 33 1HG LYS 33 10.048 -1.385 -1.385 287 2HG LYS 33 2HG LYS 33 8.426 -0.871 -0.871 288 1HD LYS 33 1HD LYS 33 7.982 -0.067 -0.067 289 2HD LYS 33 2HD LYS 33 9.635 0.530 0.530 290 1HE LYS 33 1HE LYS 33 8.782 -2.456 -2.456 291 2HE LYS 33 2HE LYS 33 9.223 -1.493 -1.493 292 1HZ LYS 33 1HZ LYS 33 11.395 -1.050 -1.050 293 2HZ LYS 33 2HZ LYS 33 10.966 -2.320 -2.320 294 3HZ LYS 33 3HZ LYS 33 11.159 -2.590 -2.590 295 H ASN 34 H ASN 34 10.626 1.764 1.764 296 HA ASN 34 HA ASN 34 12.636 3.872 3.872 297 1HB ASN 34 1HB ASN 34 9.855 3.989 3.989 298 2HB ASN 34 2HB ASN 34 10.943 5.326 5.326 299 1HD2 ASN 34 1HD2 ASN 34 8.956 5.092 5.092 300 2HD2 ASN 34 2HD2 ASN 34 9.040 3.604 3.604 301 H ASN 35 H ASN 35 12.373 1.508 1.508 302 HA ASN 35 HA ASN 35 13.297 1.313 1.313 303 1HB ASN 35 1HB ASN 35 15.446 1.702 1.702 304 2HB ASN 35 2HB ASN 35 15.042 3.282 3.282 305 1HD2 ASN 35 1HD2 ASN 35 16.012 3.599 3.599 306 2HD2 ASN 35 2HD2 ASN 35 14.674 2.425 2.425 307 H TRP 36 H TRP 36 10.969 2.487 2.487 308 HA TRP 36 HA TRP 36 11.051 4.614 4.614 309 1HB TRP 36 1HB TRP 36 8.695 3.260 3.260 310 2HB TRP 36 2HB TRP 36 8.463 4.571 4.571 311 HD1 TRP 36 HD1 TRP 36 11.258 6.149 6.149 312 HE1 TRP 36 HE1 TRP 36 10.902 7.765 7.765 313 HE3 TRP 36 HE3 TRP 36 7.028 3.900 3.900 314 HZ2 TRP 36 HZ2 TRP 36 8.859 7.940 7.940 315 HZ3 TRP 36 HZ3 TRP 36 5.962 4.776 4.776 316 HH2 TRP 36 HH2 TRP 36 6.819 6.802 6.802 317 H GLU 37 H GLU 37 9.256 4.326 4.326 318 HA GLU 37 HA GLU 37 9.906 1.612 1.612 319 1HB GLU 37 1HB GLU 37 10.889 3.502 3.502 320 2HB GLU 37 2HB GLU 37 9.406 4.427 4.427 321 1HG GLU 37 1HG GLU 37 10.024 3.402 3.402 322 2HG GLU 37 2HG GLU 37 8.377 3.136 3.136 323 H CYS 38 H CYS 38 8.132 0.934 0.934 324 HA CYS 38 HA CYS 38 5.410 1.523 1.523 325 1HB CYS 38 1HB CYS 38 6.520 -0.310 -0.310 326 2HB CYS 38 2HB CYS 38 6.494 -1.394 -1.394 327 H ARG 39 H ARG 39 4.567 2.122 2.122 328 HA ARG 39 HA ARG 39 4.597 0.205 0.205 329 1HB ARG 39 1HB ARG 39 3.971 3.144 3.144 330 2HB ARG 39 2HB ARG 39 2.913 2.327 2.327 331 1HG ARG 39 1HG ARG 39 5.890 1.785 1.785 332 2HG ARG 39 2HG ARG 39 5.400 3.461 3.461 333 1HD ARG 39 1HD ARG 39 3.433 2.351 2.351 334 2HD ARG 39 2HD ARG 39 4.561 0.972 0.972 335 HE ARG 39 HE ARG 39 5.846 2.222 2.222 336 1HH1 ARG 39 1HH1 ARG 39 4.300 4.502 4.502 337 2HH1 ARG 39 2HH1 ARG 39 5.064 5.942 5.942 338 1HH2 ARG 39 1HH2 ARG 39 6.630 3.829 3.829 339 2HH2 ARG 39 2HH2 ARG 39 6.329 5.584 5.584 340 H TYR 40 H TYR 40 2.723 -0.621 -0.621 341 HA TYR 40 HA TYR 40 0.357 -0.761 -0.761 342 1HB TYR 40 1HB TYR 40 2.395 -2.912 -2.912 343 2HB TYR 40 2HB TYR 40 0.813 -3.462 -3.462 344 HD1 TYR 40 HD1 TYR 40 -0.431 -1.550 -1.550 345 HD2 TYR 40 HD2 TYR 40 2.229 -4.896 -4.896 346 HE1 TYR 40 HE1 TYR 40 -0.273 -1.752 -1.752 347 HE2 TYR 40 HE2 TYR 40 2.180 -5.240 -5.240 348 HH TYR 40 HH TYR 40 0.353 -3.036 -3.036 349 H SER 41 H SER 41 -1.147 -0.001 -0.001 350 HA SER 41 HA SER 41 -2.739 -0.151 -0.151 351 1HB SER 41 1HB SER 41 -2.269 -2.926 -2.926 352 2HB SER 41 2HB SER 41 -3.676 -2.265 -2.265 353 HG SER 41 HG SER 41 -1.972 -3.922 -3.922 354 HA PRO 42 HA PRO 42 -1.358 0.174 0.174 355 1HB PRO 42 1HB PRO 42 -2.839 -2.343 -2.343 356 2HB PRO 42 2HB PRO 42 -2.935 -0.593 -0.593 357 1HG PRO 42 1HG PRO 42 -4.879 -1.643 -1.643 358 2HG PRO 42 2HG PRO 42 -4.238 0.133 0.133 359 1HD PRO 42 1HD PRO 42 -3.552 -2.447 -2.447 360 2HD PRO 42 2HD PRO 42 -4.015 -0.792 -0.792 361 H LYS 43 H LYS 43 -1.770 -3.310 -3.310 362 HA LYS 43 HA LYS 43 0.769 -3.379 -3.379 363 1HB LYS 43 1HB LYS 43 -0.985 -5.740 -5.740 364 2HB LYS 43 2HB LYS 43 0.245 -5.825 -5.825 365 1HG LYS 43 1HG LYS 43 -1.094 -4.501 -4.501 366 2HG LYS 43 2HG LYS 43 -2.132 -3.876 -3.876 367 1HD LYS 43 1HD LYS 43 -3.183 -6.134 -6.134 368 2HD LYS 43 2HD LYS 43 -2.009 -6.832 -6.832 369 1HE LYS 43 1HE LYS 43 -2.839 -5.476 -5.476 370 2HE LYS 43 2HE LYS 43 -3.811 -4.445 -4.445 371 1HZ LYS 43 1HZ LYS 43 -4.271 -7.363 -7.363 372 2HZ LYS 43 2HZ LYS 43 -4.931 -6.389 -6.389 373 3HZ LYS 43 3HZ LYS 43 -5.325 -6.120 -6.120 Start of MODEL 3 1 1H MET 1 1H MET 1 -8.295 -12.137 -12.137 2 2H MET 1 2H MET 1 -8.512 -13.759 -13.759 3 3H MET 1 3H MET 1 -7.035 -13.013 -13.013 4 HA MET 1 HA MET 1 -7.711 -11.945 -11.945 5 1HB MET 1 1HB MET 1 -9.451 -14.477 -14.477 6 2HB MET 1 2HB MET 1 -9.553 -13.501 -13.501 7 1HG MET 1 1HG MET 1 -7.248 -13.986 -13.986 8 2HG MET 1 2HG MET 1 -6.853 -14.608 -14.608 9 1HE MET 1 1HE MET 1 -9.003 -14.679 -14.679 10 2HE MET 1 2HE MET 1 -9.090 -16.396 -16.396 11 3HE MET 1 3HE MET 1 -10.298 -15.739 -15.739 12 H LYS 2 H LYS 2 -9.214 -10.847 -10.847 13 HA LYS 2 HA LYS 2 -11.520 -9.827 -9.827 14 1HB LYS 2 1HB LYS 2 -9.160 -8.339 -8.339 15 2HB LYS 2 2HB LYS 2 -10.713 -7.530 -7.530 16 1HG LYS 2 1HG LYS 2 -9.848 -6.707 -6.707 17 2HG LYS 2 2HG LYS 2 -10.981 -7.956 -7.956 18 1HD LYS 2 1HD LYS 2 -9.031 -9.535 -9.535 19 2HD LYS 2 2HD LYS 2 -7.920 -8.291 -8.291 20 1HE LYS 2 1HE LYS 2 -9.780 -7.361 -7.361 21 2HE LYS 2 2HE LYS 2 -8.581 -8.564 -8.564 22 1HZ LYS 2 1HZ LYS 2 -7.968 -6.050 -6.050 23 2HZ LYS 2 2HZ LYS 2 -7.703 -6.336 -6.336 24 3HZ LYS 2 3HZ LYS 2 -6.841 -7.202 -7.202 25 H LEU 3 H LEU 3 -13.335 -10.055 -10.055 26 HA LEU 3 HA LEU 3 -13.546 -9.271 -9.271 27 1HB LEU 3 1HB LEU 3 -14.893 -11.634 -11.634 28 2HB LEU 3 2HB LEU 3 -15.568 -10.981 -10.981 29 HG LEU 3 HG LEU 3 -12.706 -11.610 -11.610 30 1HD1 LEU 3 1HD1 LEU 3 -13.235 -13.275 -13.275 31 2HD1 LEU 3 2HD1 LEU 3 -14.509 -13.976 -13.976 32 3HD1 LEU 3 3HD1 LEU 3 -12.809 -14.069 -14.069 33 1HD2 LEU 3 1HD2 LEU 3 -15.356 -12.276 -12.276 34 2HD2 LEU 3 2HD2 LEU 3 -13.874 -11.546 -11.546 35 3HD2 LEU 3 3HD2 LEU 3 -13.929 -13.286 -13.286 36 H LEU 4 H LEU 4 -14.409 -8.507 -8.507 37 HA LEU 4 HA LEU 4 -16.664 -6.807 -6.807 38 1HB LEU 4 1HB LEU 4 -18.270 -7.742 -7.742 39 2HB LEU 4 2HB LEU 4 -18.107 -8.667 -8.667 40 HG LEU 4 HG LEU 4 -16.795 -10.392 -10.392 41 1HD1 LEU 4 1HD1 LEU 4 -16.394 -8.318 -8.318 42 2HD1 LEU 4 2HD1 LEU 4 -16.269 -10.050 -10.050 43 3HD1 LEU 4 3HD1 LEU 4 -15.193 -9.327 -9.327 44 1HD2 LEU 4 1HD2 LEU 4 -19.292 -10.469 -10.469 45 2HD2 LEU 4 2HD2 LEU 4 -18.283 -11.201 -11.201 46 3HD2 LEU 4 3HD2 LEU 4 -18.961 -9.589 -9.589 47 H SER 5 H SER 5 -14.100 -6.421 -6.421 48 HA SER 5 HA SER 5 -14.876 -4.731 -4.731 49 1HB SER 5 1HB SER 5 -14.460 -7.112 -7.112 50 2HB SER 5 2HB SER 5 -12.772 -6.947 -6.947 51 HG SER 5 HG SER 5 -14.138 -5.024 -5.024 52 H SER 6 H SER 6 -14.268 -3.049 -3.049 53 HA SER 6 HA SER 6 -12.681 -1.316 -1.316 54 1HB SER 6 1HB SER 6 -10.843 -3.322 -3.322 55 2HB SER 6 2HB SER 6 -10.205 -1.798 -1.798 56 HG SER 6 HG SER 6 -11.687 -2.321 -2.321 57 H ILE 7 H ILE 7 -10.057 -1.323 -1.323 58 HA ILE 7 HA ILE 7 -9.573 -2.941 -2.941 59 HB ILE 7 HB ILE 7 -11.766 -1.647 -1.647 60 1HG1 ILE 7 1HG1 ILE 7 -10.032 -2.788 -2.788 61 2HG1 ILE 7 2HG1 ILE 7 -11.378 -1.836 -1.836 62 1HG2 ILE 7 1HG2 ILE 7 -10.712 0.701 0.701 63 2HG2 ILE 7 2HG2 ILE 7 -9.992 0.751 0.751 64 3HG2 ILE 7 3HG2 ILE 7 -11.763 0.657 0.657 65 1HD1 ILE 7 1HD1 ILE 7 -8.545 -0.663 -0.663 66 2HD1 ILE 7 2HD1 ILE 7 -9.295 -1.253 -1.253 67 3HD1 ILE 7 3HD1 ILE 7 -9.978 0.152 0.152 68 H GLU 8 H GLU 8 -7.736 -2.786 -2.786 69 HA GLU 8 HA GLU 8 -6.545 -0.047 -0.047 70 1HB GLU 8 1HB GLU 8 -6.452 -2.574 -2.574 71 2HB GLU 8 2HB GLU 8 -4.824 -2.367 -2.367 72 1HG GLU 8 1HG GLU 8 -5.907 -1.283 -1.283 73 2HG GLU 8 2HG GLU 8 -4.329 -0.937 -0.937 74 H GLN 9 H GLN 9 -6.588 -1.848 -1.848 75 HA GLN 9 HA GLN 9 -3.636 -2.005 -2.005 76 1HB GLN 9 1HB GLN 9 -6.177 -2.883 -2.883 77 2HB GLN 9 2HB GLN 9 -4.746 -2.669 -2.669 78 1HG GLN 9 1HG GLN 9 -3.531 -4.452 -4.452 79 2HG GLN 9 2HG GLN 9 -4.532 -4.377 -4.377 80 1HE2 GLN 9 1HE2 GLN 9 -7.045 -6.372 -6.372 81 2HE2 GLN 9 2HE2 GLN 9 -7.073 -4.654 -4.654 82 H ALA 10 H ALA 10 -3.385 -1.559 -1.559 83 HA ALA 10 HA ALA 10 -2.668 0.254 0.254 84 1HB ALA 10 1HB ALA 10 -5.011 1.081 1.081 85 2HB ALA 10 2HB ALA 10 -4.734 1.916 1.916 86 3HB ALA 10 3HB ALA 10 -3.901 2.463 2.463 87 H CYS 11 H CYS 11 -0.582 1.077 1.077 88 HA CYS 11 HA CYS 11 0.118 1.139 1.139 89 1HB CYS 11 1HB CYS 11 2.496 1.180 1.180 90 2HB CYS 11 2HB CYS 11 1.542 -0.041 -0.041 91 H ASP 12 H ASP 12 1.845 2.628 2.628 92 HA ASP 12 HA ASP 12 0.711 5.262 5.262 93 1HB ASP 12 1HB ASP 12 2.729 4.068 4.068 94 2HB ASP 12 2HB ASP 12 3.756 4.847 4.847 95 H ILE 13 H ILE 13 3.129 4.047 4.047 96 HA ILE 13 HA ILE 13 3.756 6.673 6.673 97 HB ILE 13 HB ILE 13 4.181 3.775 3.775 98 1HG1 ILE 13 1HG1 ILE 13 5.951 4.528 4.528 99 2HG1 ILE 13 2HG1 ILE 13 6.644 4.581 4.581 100 1HG2 ILE 13 1HG2 ILE 13 3.627 4.892 4.892 101 2HG2 ILE 13 2HG2 ILE 13 4.824 6.132 6.132 102 3HG2 ILE 13 3HG2 ILE 13 5.345 4.442 4.442 103 1HD1 ILE 13 1HD1 ILE 13 5.490 7.241 7.241 104 2HD1 ILE 13 2HD1 ILE 13 6.616 6.743 6.743 105 3HD1 ILE 13 3HD1 ILE 13 7.155 6.775 6.775 106 H CYS 14 H CYS 14 1.175 4.503 4.503 107 HA CYS 14 HA CYS 14 0.558 5.707 5.707 108 1HB CYS 14 1HB CYS 14 -0.742 3.555 3.555 109 2HB CYS 14 2HB CYS 14 -1.688 4.274 4.274 110 H ARG 15 H ARG 15 -0.734 5.992 5.992 111 HA ARG 15 HA ARG 15 -2.684 7.972 7.972 112 1HB ARG 15 1HB ARG 15 -1.201 8.946 8.946 113 2HB ARG 15 2HB ARG 15 -2.765 8.154 8.154 114 1HG ARG 15 1HG ARG 15 -1.852 6.053 6.053 115 2HG ARG 15 2HG ARG 15 -0.319 6.293 6.293 116 1HD ARG 15 1HD ARG 15 0.459 6.705 6.705 117 2HD ARG 15 2HD ARG 15 -0.153 8.351 8.351 118 HE ARG 15 HE ARG 15 -1.851 6.177 6.177 119 1HH1 ARG 15 1HH1 ARG 15 -0.787 9.480 9.480 120 2HH1 ARG 15 2HH1 ARG 15 -1.857 9.957 9.957 121 1HH2 ARG 15 1HH2 ARG 15 -2.985 6.768 6.768 122 2HH2 ARG 15 2HH2 ARG 15 -3.054 8.487 8.487 123 H LEU 16 H LEU 16 0.793 8.560 8.560 124 HA LEU 16 HA LEU 16 0.442 11.493 11.493 125 1HB LEU 16 1HB LEU 16 2.987 9.775 9.775 126 2HB LEU 16 2HB LEU 16 2.986 11.512 11.512 127 HG LEU 16 HG LEU 16 2.894 9.332 9.332 128 1HD1 LEU 16 1HD1 LEU 16 4.644 11.132 11.132 129 2HD1 LEU 16 2HD1 LEU 16 3.421 12.374 12.374 130 3HD1 LEU 16 3HD1 LEU 16 3.827 11.136 11.136 131 1HD2 LEU 16 1HD2 LEU 16 0.841 11.624 11.624 132 2HD2 LEU 16 2HD2 LEU 16 0.489 9.881 9.881 133 3HD2 LEU 16 3HD2 LEU 16 1.384 10.509 10.509 134 H LYS 17 H LYS 17 1.660 9.066 9.066 135 HA LYS 17 HA LYS 17 2.247 11.172 11.172 136 1HB LYS 17 1HB LYS 17 2.509 8.119 8.119 137 2HB LYS 17 2HB LYS 17 2.526 8.852 8.852 138 1HG LYS 17 1HG LYS 17 4.861 8.556 8.556 139 2HG LYS 17 2HG LYS 17 4.508 10.243 10.243 140 1HD LYS 17 1HD LYS 17 4.494 10.828 10.828 141 2HD LYS 17 2HD LYS 17 3.982 9.212 9.212 142 1HE LYS 17 1HE LYS 17 6.410 9.529 9.529 143 2HE LYS 17 2HE LYS 17 6.240 8.244 8.244 144 1HZ LYS 17 1HZ LYS 17 6.418 10.817 10.817 145 2HZ LYS 17 2HZ LYS 17 7.747 10.506 10.506 146 3HZ LYS 17 3HZ LYS 17 7.341 9.433 9.433 147 H LYS 18 H LYS 18 -0.420 9.308 9.308 148 HA LYS 18 HA LYS 18 -2.506 8.885 8.885 149 1HB LYS 18 1HB LYS 18 -1.679 11.433 11.433 150 2HB LYS 18 2HB LYS 18 -3.027 10.472 10.472 151 1HG LYS 18 1HG LYS 18 -4.394 10.947 10.947 152 2HG LYS 18 2HG LYS 18 -3.015 11.114 11.114 153 1HD LYS 18 1HD LYS 18 -3.898 13.140 13.140 154 2HD LYS 18 2HD LYS 18 -4.294 13.252 13.252 155 1HE LYS 18 1HE LYS 18 -2.309 14.419 14.419 156 2HE LYS 18 2HE LYS 18 -1.484 12.863 12.863 157 1HZ LYS 18 1HZ LYS 18 -2.319 14.212 14.212 158 2HZ LYS 18 2HZ LYS 18 -1.018 14.858 14.858 159 3HZ LYS 18 3HZ LYS 18 -0.964 13.265 13.265 160 H LEU 19 H LEU 19 -1.489 6.972 6.972 161 HA LEU 19 HA LEU 19 -0.889 6.543 6.543 162 1HB LEU 19 1HB LEU 19 0.698 5.673 5.673 163 2HB LEU 19 2HB LEU 19 0.690 4.611 4.611 164 HG LEU 19 HG LEU 19 2.167 5.892 5.892 165 1HD1 LEU 19 1HD1 LEU 19 0.563 7.820 7.820 166 2HD1 LEU 19 2HD1 LEU 19 1.061 8.490 8.490 167 3HD1 LEU 19 3HD1 LEU 19 2.228 8.384 8.384 168 1HD2 LEU 19 1HD2 LEU 19 2.606 6.614 6.614 169 2HD2 LEU 19 2HD2 LEU 19 3.641 5.676 5.676 170 3HD2 LEU 19 3HD2 LEU 19 3.595 7.456 7.456 171 H LYS 20 H LYS 20 -1.080 4.387 4.387 172 HA LYS 20 HA LYS 20 -3.393 2.992 2.992 173 1HB LYS 20 1HB LYS 20 -2.253 1.488 1.488 174 2HB LYS 20 2HB LYS 20 -3.873 2.141 2.141 175 1HG LYS 20 1HG LYS 20 -3.412 3.910 3.910 176 2HG LYS 20 2HG LYS 20 -1.968 4.359 4.359 177 1HD LYS 20 1HD LYS 20 -1.881 1.938 1.938 178 2HD LYS 20 2HD LYS 20 -1.930 3.561 3.561 179 1HE LYS 20 1HE LYS 20 0.131 2.642 2.642 180 2HE LYS 20 2HE LYS 20 0.477 2.791 2.791 181 1HZ LYS 20 1HZ LYS 20 -0.610 5.187 5.187 182 2HZ LYS 20 2HZ LYS 20 0.131 4.873 4.873 183 3HZ LYS 20 3HZ LYS 20 1.039 4.861 4.861 184 H CYS 21 H CYS 21 -3.393 1.094 1.094 185 HA CYS 21 HA CYS 21 -0.585 0.052 0.052 186 1HB CYS 21 1HB CYS 21 -1.975 1.450 1.450 187 2HB CYS 21 2HB CYS 21 -2.998 0.015 0.015 188 H SER 22 H SER 22 -0.915 -1.372 -1.372 189 HA SER 22 HA SER 22 -2.598 -3.612 -3.612 190 1HB SER 22 1HB SER 22 -0.380 -5.018 -5.018 191 2HB SER 22 2HB SER 22 -0.807 -3.738 -3.738 192 HG SER 22 HG SER 22 0.967 -3.439 -3.439 193 H LYS 23 H LYS 23 -0.279 -3.079 -3.079 194 HA LYS 23 HA LYS 23 -0.724 -3.688 -3.688 195 1HB LYS 23 1HB LYS 23 -2.851 -5.561 -5.561 196 2HB LYS 23 2HB LYS 23 -2.520 -5.534 -5.534 197 1HG LYS 23 1HG LYS 23 -2.925 -2.842 -2.842 198 2HG LYS 23 2HG LYS 23 -3.775 -3.354 -3.354 199 1HD LYS 23 1HD LYS 23 -5.002 -5.015 -5.015 200 2HD LYS 23 2HD LYS 23 -4.426 -3.800 -3.800 201 1HE LYS 23 1HE LYS 23 -6.653 -3.051 -3.051 202 2HE LYS 23 2HE LYS 23 -5.463 -1.944 -1.944 203 1HZ LYS 23 1HZ LYS 23 -6.279 -4.370 -4.370 204 2HZ LYS 23 2HZ LYS 23 -7.219 -2.976 -2.976 205 3HZ LYS 23 3HZ LYS 23 -5.629 -2.933 -2.933 206 H GLU 24 H GLU 24 0.700 -5.427 -5.427 207 HA GLU 24 HA GLU 24 1.514 -7.810 -7.810 208 1HB GLU 24 1HB GLU 24 3.869 -7.388 -7.388 209 2HB GLU 24 2HB GLU 24 2.550 -7.407 -7.407 210 1HG GLU 24 1HG GLU 24 2.758 -5.034 -5.034 211 2HG GLU 24 2HG GLU 24 3.668 -4.713 -4.713 212 H LYS 25 H LYS 25 3.529 -8.368 -8.368 213 HA LYS 25 HA LYS 25 3.975 -6.548 -6.548 214 1HB LYS 25 1HB LYS 25 3.281 -9.562 -9.562 215 2HB LYS 25 2HB LYS 25 3.484 -8.463 -8.463 216 1HG LYS 25 1HG LYS 25 1.341 -7.421 -7.421 217 2HG LYS 25 2HG LYS 25 1.312 -7.829 -7.829 218 1HD LYS 25 1HD LYS 25 -0.351 -9.188 -9.188 219 2HD LYS 25 2HD LYS 25 0.986 -10.296 -10.296 220 1HE LYS 25 1HE LYS 25 0.405 -10.722 -10.722 221 2HE LYS 25 2HE LYS 25 1.937 -9.835 -9.835 222 1HZ LYS 25 1HZ LYS 25 -0.684 -8.446 -8.446 223 2HZ LYS 25 2HZ LYS 25 0.137 -8.993 -8.993 224 3HZ LYS 25 3HZ LYS 25 0.838 -7.833 -7.833 225 HA PRO 26 HA PRO 26 4.981 -6.796 -6.796 226 1HB PRO 26 1HB PRO 26 7.222 -5.361 -5.361 227 2HB PRO 26 2HB PRO 26 6.999 -7.176 -7.176 228 1HG PRO 26 1HG PRO 26 8.360 -6.105 -6.105 229 2HG PRO 26 2HG PRO 26 9.074 -7.059 -7.059 230 1HD PRO 26 1HD PRO 26 8.135 -8.125 -8.125 231 2HD PRO 26 2HD PRO 26 7.650 -8.911 -8.911 232 H LYS 27 H LYS 27 7.190 -5.337 -5.337 233 HA LYS 27 HA LYS 27 5.583 -2.744 -2.744 234 1HB LYS 27 1HB LYS 27 7.877 -2.582 -2.582 235 2HB LYS 27 2HB LYS 27 7.577 -1.662 -1.662 236 1HG LYS 27 1HG LYS 27 8.455 -3.790 -3.790 237 2HG LYS 27 2HG LYS 27 8.985 -4.407 -4.407 238 1HD LYS 27 1HD LYS 27 10.768 -2.887 -2.887 239 2HD LYS 27 2HD LYS 27 9.859 -1.590 -1.590 240 1HE LYS 27 1HE LYS 27 10.729 -2.163 -2.163 241 2HE LYS 27 2HE LYS 27 10.080 -3.804 -3.804 242 1HZ LYS 27 1HZ LYS 27 12.180 -3.805 -3.805 243 2HZ LYS 27 2HZ LYS 27 12.749 -2.878 -2.878 244 3HZ LYS 27 3HZ LYS 27 12.180 -4.436 -4.436 245 H CYS 28 H CYS 28 4.369 -2.020 -2.020 246 HA CYS 28 HA CYS 28 3.536 -3.760 -3.760 247 1HB CYS 28 1HB CYS 28 2.941 -1.435 -1.435 248 2HB CYS 28 2HB CYS 28 2.061 -1.943 -1.943 249 H ALA 29 H ALA 29 3.694 -2.991 -2.991 250 HA ALA 29 HA ALA 29 6.459 -3.372 -3.372 251 1HB ALA 29 1HB ALA 29 4.361 -3.798 -3.798 252 2HB ALA 29 2HB ALA 29 4.000 -2.055 -2.055 253 3HB ALA 29 3HB ALA 29 5.446 -2.671 -2.671 254 H LYS 30 H LYS 30 4.391 -0.604 -0.604 255 HA LYS 30 HA LYS 30 5.982 1.587 1.587 256 1HB LYS 30 1HB LYS 30 3.755 1.095 1.095 257 2HB LYS 30 2HB LYS 30 4.926 1.859 1.859 258 1HG LYS 30 1HG LYS 30 3.115 3.295 3.295 259 2HG LYS 30 2HG LYS 30 4.675 3.957 3.957 260 1HD LYS 30 1HD LYS 30 5.464 2.918 2.918 261 2HD LYS 30 2HD LYS 30 3.724 2.893 2.893 262 1HE LYS 30 1HE LYS 30 3.677 5.417 5.417 263 2HE LYS 30 2HE LYS 30 5.443 5.380 5.380 264 1HZ LYS 30 1HZ LYS 30 4.518 4.187 4.187 265 2HZ LYS 30 2HZ LYS 30 3.541 5.535 5.535 266 3HZ LYS 30 3HZ LYS 30 5.214 5.709 5.709 267 H CYS 31 H CYS 31 6.034 0.540 0.540 268 HA CYS 31 HA CYS 31 8.279 2.308 2.308 269 1HB CYS 31 1HB CYS 31 7.263 -0.099 -0.099 270 2HB CYS 31 2HB CYS 31 8.302 1.192 1.192 271 H LEU 32 H LEU 32 8.173 -1.113 -1.113 272 HA LEU 32 HA LEU 32 11.060 -1.534 -1.534 273 1HB LEU 32 1HB LEU 32 9.542 -3.495 -3.495 274 2HB LEU 32 2HB LEU 32 8.991 -2.955 -2.955 275 HG LEU 32 HG LEU 32 10.545 -4.994 -4.994 276 1HD1 LEU 32 1HD1 LEU 32 10.131 -3.565 -3.565 277 2HD1 LEU 32 2HD1 LEU 32 11.612 -2.671 -2.671 278 3HD1 LEU 32 3HD1 LEU 32 11.695 -4.417 -4.417 279 1HD2 LEU 32 1HD2 LEU 32 12.173 -4.050 -4.050 280 2HD2 LEU 32 2HD2 LEU 32 12.997 -4.615 -4.615 281 3HD2 LEU 32 3HD2 LEU 32 12.737 -2.875 -2.875 282 H LYS 33 H LYS 33 9.261 -0.208 -0.208 283 HA LYS 33 HA LYS 33 11.559 -0.382 -0.382 284 1HB LYS 33 1HB LYS 33 8.845 1.125 1.125 285 2HB LYS 33 2HB LYS 33 10.058 1.364 1.364 286 1HG LYS 33 1HG LYS 33 10.017 -1.307 -1.307 287 2HG LYS 33 2HG LYS 33 8.526 -1.223 -1.223 288 1HD LYS 33 1HD LYS 33 8.732 0.651 0.651 289 2HD LYS 33 2HD LYS 33 8.750 -1.079 -1.079 290 1HE LYS 33 1HE LYS 33 6.469 -1.187 -1.187 291 2HE LYS 33 2HE LYS 33 6.702 -0.781 -0.781 292 1HZ LYS 33 1HZ LYS 33 6.836 1.602 1.602 293 2HZ LYS 33 2HZ LYS 33 6.344 1.122 1.122 294 3HZ LYS 33 3HZ LYS 33 5.336 0.872 0.872 295 H ASN 34 H ASN 34 10.396 1.833 1.833 296 HA ASN 34 HA ASN 34 12.504 3.857 3.857 297 1HB ASN 34 1HB ASN 34 9.754 4.133 4.133 298 2HB ASN 34 2HB ASN 34 10.933 5.400 5.400 299 1HD2 ASN 34 1HD2 ASN 34 8.732 5.393 5.393 300 2HD2 ASN 34 2HD2 ASN 34 8.520 4.104 4.104 301 H ASN 35 H ASN 35 12.459 1.416 1.416 302 HA ASN 35 HA ASN 35 13.028 0.988 0.988 303 1HB ASN 35 1HB ASN 35 15.200 1.791 1.791 304 2HB ASN 35 2HB ASN 35 15.028 3.309 3.309 305 1HD2 ASN 35 1HD2 ASN 35 15.656 0.740 0.740 306 2HD2 ASN 35 2HD2 ASN 35 14.022 0.867 0.867 307 H TRP 36 H TRP 36 11.126 1.607 1.607 308 HA TRP 36 HA TRP 36 11.195 4.352 4.352 309 1HB TRP 36 1HB TRP 36 8.946 2.872 2.872 310 2HB TRP 36 2HB TRP 36 8.498 4.050 4.050 311 HD1 TRP 36 HD1 TRP 36 11.333 5.855 5.855 312 HE1 TRP 36 HE1 TRP 36 10.921 7.622 7.622 313 HE3 TRP 36 HE3 TRP 36 7.049 3.750 3.750 314 HZ2 TRP 36 HZ2 TRP 36 8.852 7.919 7.919 315 HZ3 TRP 36 HZ3 TRP 36 5.979 4.722 4.722 316 HH2 TRP 36 HH2 TRP 36 6.832 6.803 6.803 317 H GLU 37 H GLU 37 9.343 4.382 4.382 318 HA GLU 37 HA GLU 37 9.605 1.775 1.775 319 1HB GLU 37 1HB GLU 37 10.373 4.157 4.157 320 2HB GLU 37 2HB GLU 37 8.672 4.524 4.524 321 1HG GLU 37 1HG GLU 37 8.401 2.745 2.745 322 2HG GLU 37 2HG GLU 37 10.006 2.122 2.122 323 H CYS 38 H CYS 38 8.054 0.806 0.806 324 HA CYS 38 HA CYS 38 5.231 1.519 1.519 325 1HB CYS 38 1HB CYS 38 6.430 -0.320 -0.320 326 2HB CYS 38 2HB CYS 38 6.327 -1.388 -1.388 327 H ARG 39 H ARG 39 4.762 2.333 2.333 328 HA ARG 39 HA ARG 39 4.642 0.294 0.294 329 1HB ARG 39 1HB ARG 39 5.196 3.127 3.127 330 2HB ARG 39 2HB ARG 39 3.588 3.011 3.011 331 1HG ARG 39 1HG ARG 39 4.786 2.733 2.733 332 2HG ARG 39 2HG ARG 39 4.817 1.044 1.044 333 1HD ARG 39 1HD ARG 39 7.045 2.981 2.981 334 2HD ARG 39 2HD ARG 39 7.070 2.227 2.227 335 HE ARG 39 HE ARG 39 6.625 0.418 0.418 336 1HH1 ARG 39 1HH1 ARG 39 8.816 1.495 1.495 337 2HH1 ARG 39 2HH1 ARG 39 9.945 0.059 0.059 338 1HH2 ARG 39 1HH2 ARG 39 7.894 -1.104 -1.104 339 2HH2 ARG 39 2HH2 ARG 39 9.452 -1.355 -1.355 340 H TYR 40 H TYR 40 3.162 -1.004 -1.004 341 HA TYR 40 HA TYR 40 0.335 0.124 0.124 342 1HB TYR 40 1HB TYR 40 0.282 -0.143 -0.143 343 2HB TYR 40 2HB TYR 40 1.972 -0.555 -0.555 344 HD1 TYR 40 HD1 TYR 40 2.506 -3.132 -3.132 345 HD2 TYR 40 HD2 TYR 40 -1.019 -1.638 -1.638 346 HE1 TYR 40 HE1 TYR 40 2.391 -5.176 -5.176 347 HE2 TYR 40 HE2 TYR 40 -1.100 -3.658 -3.658 348 HH TYR 40 HH TYR 40 1.080 -5.948 -5.948 349 H SER 41 H SER 41 -1.294 -1.250 -1.250 350 HA SER 41 HA SER 41 -2.333 -3.217 -3.217 351 1HB SER 41 1HB SER 41 0.143 -4.748 -4.748 352 2HB SER 41 2HB SER 41 -1.446 -5.433 -5.433 353 HG SER 41 HG SER 41 -0.950 -4.919 -4.919 354 HA PRO 42 HA PRO 42 -1.260 -5.040 -5.040 355 1HB PRO 42 1HB PRO 42 0.698 -6.875 -6.875 356 2HB PRO 42 2HB PRO 42 -0.329 -7.217 -7.217 357 1HG PRO 42 1HG PRO 42 -1.198 -7.884 -7.884 358 2HG PRO 42 2HG PRO 42 -2.272 -7.292 -7.292 359 1HD PRO 42 1HD PRO 42 -1.203 -6.125 -6.125 360 2HD PRO 42 2HD PRO 42 -2.722 -5.675 -5.675 361 H LYS 43 H LYS 43 1.796 -5.403 -5.403 362 HA LYS 43 HA LYS 43 2.932 -3.348 -3.348 363 1HB LYS 43 1HB LYS 43 3.828 -5.922 -5.922 364 2HB LYS 43 2HB LYS 43 4.725 -5.303 -5.303 365 1HG LYS 43 1HG LYS 43 6.058 -3.821 -3.821 366 2HG LYS 43 2HG LYS 43 4.849 -3.731 -3.731 367 1HD LYS 43 1HD LYS 43 5.497 -5.955 -5.955 368 2HD LYS 43 2HD LYS 43 6.432 -6.299 -6.299 369 1HE LYS 43 1HE LYS 43 7.117 -3.831 -3.831 370 2HE LYS 43 2HE LYS 43 7.767 -5.420 -5.420 371 1HZ LYS 43 1HZ LYS 43 8.344 -5.476 -5.476 372 2HZ LYS 43 2HZ LYS 43 8.291 -3.803 -3.803 373 3HZ LYS 43 3HZ LYS 43 9.346 -4.705 -4.705 Start of MODEL 4 1 1H MET 1 1H MET 1 -16.312 -5.654 -5.654 2 2H MET 1 2H MET 1 -16.744 -5.460 -5.460 3 3H MET 1 3H MET 1 -15.275 -4.859 -4.859 4 HA MET 1 HA MET 1 -16.517 -2.977 -2.977 5 1HB MET 1 1HB MET 1 -18.761 -4.924 -4.924 6 2HB MET 1 2HB MET 1 -18.954 -3.281 -3.281 7 1HG MET 1 1HG MET 1 -18.510 -3.977 -3.977 8 2HG MET 1 2HG MET 1 -20.079 -3.664 -3.664 9 1HE MET 1 1HE MET 1 -21.168 -1.728 -1.728 10 2HE MET 1 2HE MET 1 -20.600 -1.184 -1.184 11 3HE MET 1 3HE MET 1 -20.554 -0.060 -0.060 12 H LYS 2 H LYS 2 -14.811 -2.599 -2.599 13 HA LYS 2 HA LYS 2 -15.904 -1.513 -1.513 14 1HB LYS 2 1HB LYS 2 -13.648 -2.933 -2.933 15 2HB LYS 2 2HB LYS 2 -15.340 -3.211 -3.211 16 1HG LYS 2 1HG LYS 2 -15.537 -5.025 -5.025 17 2HG LYS 2 2HG LYS 2 -14.135 -4.487 -4.487 18 1HD LYS 2 1HD LYS 2 -12.681 -5.207 -5.207 19 2HD LYS 2 2HD LYS 2 -14.149 -5.781 -5.781 20 1HE LYS 2 1HE LYS 2 -14.652 -7.382 -7.382 21 2HE LYS 2 2HE LYS 2 -13.318 -6.755 -6.755 22 1HZ LYS 2 1HZ LYS 2 -12.871 -7.847 -7.847 23 2HZ LYS 2 2HZ LYS 2 -12.844 -8.805 -8.805 24 3HZ LYS 2 3HZ LYS 2 -11.735 -7.553 -7.553 25 H LEU 3 H LEU 3 -14.698 -0.619 -0.619 26 HA LEU 3 HA LEU 3 -11.851 0.002 0.002 27 1HB LEU 3 1HB LEU 3 -14.021 1.347 1.347 28 2HB LEU 3 2HB LEU 3 -12.368 1.925 1.925 29 HG LEU 3 HG LEU 3 -13.533 -0.187 -0.187 30 1HD1 LEU 3 1HD1 LEU 3 -10.911 1.362 1.362 31 2HD1 LEU 3 2HD1 LEU 3 -10.955 -0.095 -0.095 32 3HD1 LEU 3 3HD1 LEU 3 -12.080 1.239 1.239 33 1HD2 LEU 3 1HD2 LEU 3 -12.645 -1.708 -1.708 34 2HD2 LEU 3 2HD2 LEU 3 -12.074 -2.091 -2.091 35 3HD2 LEU 3 3HD2 LEU 3 -11.008 -1.231 -1.231 36 H LEU 4 H LEU 4 -10.794 1.698 1.698 37 HA LEU 4 HA LEU 4 -10.386 3.177 3.177 38 1HB LEU 4 1HB LEU 4 -12.943 4.395 4.395 39 2HB LEU 4 2HB LEU 4 -12.149 5.141 5.141 40 HG LEU 4 HG LEU 4 -10.385 5.974 5.974 41 1HD1 LEU 4 1HD1 LEU 4 -9.625 3.631 3.631 42 2HD1 LEU 4 2HD1 LEU 4 -10.700 3.772 3.772 43 3HD1 LEU 4 3HD1 LEU 4 -9.339 4.901 4.901 44 1HD2 LEU 4 1HD2 LEU 4 -12.515 5.597 5.597 45 2HD2 LEU 4 2HD2 LEU 4 -12.445 6.956 6.956 46 3HD2 LEU 4 3HD2 LEU 4 -11.162 6.732 6.732 47 H SER 5 H SER 5 -13.797 3.721 3.721 48 HA SER 5 HA SER 5 -14.954 3.535 3.535 49 1HB SER 5 1HB SER 5 -14.183 0.644 0.644 50 2HB SER 5 2HB SER 5 -15.787 1.354 1.354 51 HG SER 5 HG SER 5 -15.773 1.142 1.142 52 H SER 6 H SER 6 -14.593 1.677 1.677 53 HA SER 6 HA SER 6 -11.798 2.406 2.406 54 1HB SER 6 1HB SER 6 -12.665 3.763 3.763 55 2HB SER 6 2HB SER 6 -14.311 3.426 3.426 56 HG SER 6 HG SER 6 -12.756 2.185 2.185 57 H ILE 7 H ILE 7 -10.927 0.576 0.576 58 HA ILE 7 HA ILE 7 -10.533 -1.294 -1.294 59 HB ILE 7 HB ILE 7 -12.835 -2.066 -2.066 60 1HG1 ILE 7 1HG1 ILE 7 -10.843 -3.922 -3.922 61 2HG1 ILE 7 2HG1 ILE 7 -12.451 -4.288 -4.288 62 1HG2 ILE 7 1HG2 ILE 7 -13.004 -2.539 -2.539 63 2HG2 ILE 7 2HG2 ILE 7 -14.200 -3.165 -3.165 64 3HG2 ILE 7 3HG2 ILE 7 -13.963 -1.420 -1.420 65 1HD1 ILE 7 1HD1 ILE 7 -13.269 -4.902 -4.902 66 2HD1 ILE 7 2HD1 ILE 7 -11.671 -4.546 -4.546 67 3HD1 ILE 7 3HD1 ILE 7 -11.871 -5.887 -5.887 68 H GLU 8 H GLU 8 -10.943 -0.715 -0.715 69 HA GLU 8 HA GLU 8 -9.071 -2.988 -2.988 70 1HB GLU 8 1HB GLU 8 -10.642 -2.749 -2.749 71 2HB GLU 8 2HB GLU 8 -10.919 -1.055 -1.055 72 1HG GLU 8 1HG GLU 8 -9.949 -1.512 -1.512 73 2HG GLU 8 2HG GLU 8 -9.003 -0.359 -0.359 74 H GLN 9 H GLN 9 -7.377 -2.514 -2.514 75 HA GLN 9 HA GLN 9 -6.104 0.113 0.113 76 1HB GLN 9 1HB GLN 9 -5.472 -1.329 -1.329 77 2HB GLN 9 2HB GLN 9 -5.384 -2.745 -2.745 78 1HG GLN 9 1HG GLN 9 -3.078 -2.484 -2.484 79 2HG GLN 9 2HG GLN 9 -3.218 -1.363 -1.363 80 1HE2 GLN 9 1HE2 GLN 9 -2.814 0.417 0.417 81 2HE2 GLN 9 2HE2 GLN 9 -4.009 -0.978 -0.978 82 H ALA 10 H ALA 10 -4.340 0.983 0.983 83 HA ALA 10 HA ALA 10 -2.894 -0.478 -0.478 84 1HB ALA 10 1HB ALA 10 -4.721 0.744 0.744 85 2HB ALA 10 2HB ALA 10 -4.247 2.280 2.280 86 3HB ALA 10 3HB ALA 10 -3.151 1.475 1.475 87 H CYS 11 H CYS 11 -0.822 0.453 0.453 88 HA CYS 11 HA CYS 11 0.363 1.037 1.037 89 1HB CYS 11 1HB CYS 11 2.513 1.032 1.032 90 2HB CYS 11 2HB CYS 11 1.483 -0.186 -0.186 91 H ASP 12 H ASP 12 2.057 2.717 2.717 92 HA ASP 12 HA ASP 12 0.544 5.139 5.139 93 1HB ASP 12 1HB ASP 12 2.884 4.218 4.218 94 2HB ASP 12 2HB ASP 12 3.612 5.221 5.221 95 H ILE 13 H ILE 13 3.196 4.545 4.545 96 HA ILE 13 HA ILE 13 2.972 7.303 7.303 97 HB ILE 13 HB ILE 13 4.526 4.762 4.762 98 1HG1 ILE 13 1HG1 ILE 13 5.209 7.441 7.441 99 2HG1 ILE 13 2HG1 ILE 13 5.580 5.814 5.814 100 1HG2 ILE 13 1HG2 ILE 13 4.267 5.838 5.838 101 2HG2 ILE 13 2HG2 ILE 13 4.937 7.366 7.366 102 3HG2 ILE 13 3HG2 ILE 13 5.960 5.952 5.952 103 1HD1 ILE 13 1HD1 ILE 13 6.973 7.091 7.091 104 2HD1 ILE 13 2HD1 ILE 13 7.657 6.969 6.969 105 3HD1 ILE 13 3HD1 ILE 13 7.306 5.489 5.489 106 H CYS 14 H CYS 14 1.387 4.466 4.466 107 HA CYS 14 HA CYS 14 0.507 5.658 5.658 108 1HB CYS 14 1HB CYS 14 -0.450 3.314 3.314 109 2HB CYS 14 2HB CYS 14 -1.491 3.878 3.878 110 H ARG 15 H ARG 15 -0.602 5.735 5.735 111 HA ARG 15 HA ARG 15 -2.732 7.616 7.616 112 1HB ARG 15 1HB ARG 15 -2.630 6.884 6.884 113 2HB ARG 15 2HB ARG 15 -0.877 6.899 6.899 114 1HG ARG 15 1HG ARG 15 -1.654 9.698 9.698 115 2HG ARG 15 2HG ARG 15 -2.817 8.968 8.968 116 1HD ARG 15 1HD ARG 15 0.124 8.266 8.266 117 2HD ARG 15 2HD ARG 15 -0.396 9.924 9.924 118 HE ARG 15 HE ARG 15 -1.701 7.407 7.407 119 1HH1 ARG 15 1HH1 ARG 15 -0.780 10.733 10.733 120 2HH1 ARG 15 2HH1 ARG 15 -1.397 10.783 10.783 121 1HH2 ARG 15 1HH2 ARG 15 -2.344 7.537 7.537 122 2HH2 ARG 15 2HH2 ARG 15 -2.248 9.049 9.049 123 H LEU 16 H LEU 16 0.695 8.421 8.421 124 HA LEU 16 HA LEU 16 0.071 11.319 11.319 125 1HB LEU 16 1HB LEU 16 2.422 11.661 11.661 126 2HB LEU 16 2HB LEU 16 1.920 10.260 10.260 127 HG LEU 16 HG LEU 16 2.917 8.992 8.992 128 1HD1 LEU 16 1HD1 LEU 16 3.629 11.166 11.166 129 2HD1 LEU 16 2HD1 LEU 16 4.627 11.548 11.548 130 3HD1 LEU 16 3HD1 LEU 16 5.038 10.161 10.161 131 1HD2 LEU 16 1HD2 LEU 16 4.511 9.894 9.894 132 2HD2 LEU 16 2HD2 LEU 16 3.574 8.391 8.391 133 3HD2 LEU 16 3HD2 LEU 16 5.039 8.629 8.629 134 H LYS 17 H LYS 17 1.442 8.980 8.980 135 HA LYS 17 HA LYS 17 2.233 11.066 11.066 136 1HB LYS 17 1HB LYS 17 3.009 8.397 8.397 137 2HB LYS 17 2HB LYS 17 2.056 8.190 8.190 138 1HG LYS 17 1HG LYS 17 4.138 8.625 8.625 139 2HG LYS 17 2HG LYS 17 3.561 10.286 10.286 140 1HD LYS 17 1HD LYS 17 5.259 10.829 10.829 141 2HD LYS 17 2HD LYS 17 5.017 9.371 9.371 142 1HE LYS 17 1HE LYS 17 7.261 9.287 9.287 143 2HE LYS 17 2HE LYS 17 6.226 7.949 7.949 144 1HZ LYS 17 1HZ LYS 17 5.506 9.415 9.415 145 2HZ LYS 17 2HZ LYS 17 6.720 10.495 10.495 146 3HZ LYS 17 3HZ LYS 17 7.116 8.933 8.933 147 H LYS 18 H LYS 18 -0.524 9.182 9.182 148 HA LYS 18 HA LYS 18 -2.517 8.756 8.756 149 1HB LYS 18 1HB LYS 18 -1.674 11.432 11.432 150 2HB LYS 18 2HB LYS 18 -2.955 10.483 10.483 151 1HG LYS 18 1HG LYS 18 -4.479 11.134 11.134 152 2HG LYS 18 2HG LYS 18 -3.413 10.581 10.581 153 1HD LYS 18 1HD LYS 18 -3.016 13.286 13.286 154 2HD LYS 18 2HD LYS 18 -4.187 13.097 13.097 155 1HE LYS 18 1HE LYS 18 -1.827 11.776 11.776 156 2HE LYS 18 2HE LYS 18 -1.200 13.224 13.224 157 1HZ LYS 18 1HZ LYS 18 -3.349 14.215 14.215 158 2HZ LYS 18 2HZ LYS 18 -2.863 13.017 13.017 159 3HZ LYS 18 3HZ LYS 18 -1.783 14.219 14.219 160 H LEU 19 H LEU 19 -1.385 6.921 6.921 161 HA LEU 19 HA LEU 19 -0.764 6.673 6.673 162 1HB LEU 19 1HB LEU 19 0.823 5.624 5.624 163 2HB LEU 19 2HB LEU 19 0.895 4.756 4.756 164 HG LEU 19 HG LEU 19 2.284 6.300 6.300 165 1HD1 LEU 19 1HD1 LEU 19 0.960 8.499 8.499 166 2HD1 LEU 19 2HD1 LEU 19 2.379 8.795 8.795 167 3HD1 LEU 19 3HD1 LEU 19 0.851 8.271 8.271 168 1HD2 LEU 19 1HD2 LEU 19 2.788 6.707 6.707 169 2HD2 LEU 19 2HD2 LEU 19 3.618 5.588 5.588 170 3HD2 LEU 19 3HD2 LEU 19 3.895 7.342 7.342 171 H LYS 20 H LYS 20 -0.475 4.261 4.261 172 HA LYS 20 HA LYS 20 -2.995 2.883 2.883 173 1HB LYS 20 1HB LYS 20 -0.874 2.172 2.172 174 2HB LYS 20 2HB LYS 20 -2.167 1.062 1.062 175 1HG LYS 20 1HG LYS 20 -2.377 3.804 3.804 176 2HG LYS 20 2HG LYS 20 -2.989 2.244 2.244 177 1HD LYS 20 1HD LYS 20 -4.542 2.515 2.515 178 2HD LYS 20 2HD LYS 20 -4.121 4.227 4.227 179 1HE LYS 20 1HE LYS 20 -5.246 4.448 4.448 180 2HE LYS 20 2HE LYS 20 -4.940 2.774 2.774 181 1HZ LYS 20 1HZ LYS 20 -6.513 2.065 2.065 182 2HZ LYS 20 2HZ LYS 20 -6.884 3.677 3.677 183 3HZ LYS 20 3HZ LYS 20 -7.223 3.001 3.001 184 H CYS 21 H CYS 21 -3.102 0.946 0.946 185 HA CYS 21 HA CYS 21 -0.457 -0.099 -0.099 186 1HB CYS 21 1HB CYS 21 -1.736 1.632 1.632 187 2HB CYS 21 2HB CYS 21 -2.923 0.347 0.347 188 H SER 22 H SER 22 -1.249 -1.499 -1.499 189 HA SER 22 HA SER 22 -3.043 -3.635 -3.635 190 1HB SER 22 1HB SER 22 -1.096 -5.207 -5.207 191 2HB SER 22 2HB SER 22 -1.504 -3.856 -3.856 192 HG SER 22 HG SER 22 0.653 -4.039 -4.039 193 H LYS 23 H LYS 23 -0.397 -3.036 -3.036 194 HA LYS 23 HA LYS 23 -0.589 -3.521 -3.521 195 1HB LYS 23 1HB LYS 23 -2.843 -5.429 -5.429 196 2HB LYS 23 2HB LYS 23 -2.300 -5.399 -5.399 197 1HG LYS 23 1HG LYS 23 -3.016 -3.055 -3.055 198 2HG LYS 23 2HG LYS 23 -3.181 -2.812 -2.812 199 1HD LYS 23 1HD LYS 23 -5.397 -3.308 -3.308 200 2HD LYS 23 2HD LYS 23 -4.965 -4.974 -4.974 201 1HE LYS 23 1HE LYS 23 -5.288 -2.579 -2.579 202 2HE LYS 23 2HE LYS 23 -6.245 -4.069 -4.069 203 1HZ LYS 23 1HZ LYS 23 -4.019 -5.247 -5.247 204 2HZ LYS 23 2HZ LYS 23 -3.414 -3.736 -3.736 205 3HZ LYS 23 3HZ LYS 23 -4.692 -4.400 -4.400 206 H GLU 24 H GLU 24 0.554 -5.397 -5.397 207 HA GLU 24 HA GLU 24 1.527 -7.740 -7.740 208 1HB GLU 24 1HB GLU 24 3.859 -6.980 -6.980 209 2HB GLU 24 2HB GLU 24 2.501 -7.508 -7.508 210 1HG GLU 24 1HG GLU 24 1.925 -4.808 -4.808 211 2HG GLU 24 2HG GLU 24 3.641 -4.683 -4.683 212 H LYS 25 H LYS 25 3.510 -8.244 -8.244 213 HA LYS 25 HA LYS 25 4.082 -6.240 -6.240 214 1HB LYS 25 1HB LYS 25 2.891 -9.073 -9.073 215 2HB LYS 25 2HB LYS 25 3.638 -8.180 -8.180 216 1HG LYS 25 1HG LYS 25 1.922 -6.267 -6.267 217 2HG LYS 25 2HG LYS 25 1.153 -7.299 -7.299 218 1HD LYS 25 1HD LYS 25 0.730 -7.157 -7.157 219 2HD LYS 25 2HD LYS 25 -0.095 -8.209 -8.209 220 1HE LYS 25 1HE LYS 25 2.472 -9.446 -9.446 221 2HE LYS 25 2HE LYS 25 2.075 -8.929 -8.929 222 1HZ LYS 25 1HZ LYS 25 -0.183 -10.058 -10.058 223 2HZ LYS 25 2HZ LYS 25 1.100 -11.132 -11.132 224 3HZ LYS 25 3HZ LYS 25 0.420 -10.390 -10.390 225 HA PRO 26 HA PRO 26 5.045 -6.501 -6.501 226 1HB PRO 26 1HB PRO 26 7.358 -5.140 -5.140 227 2HB PRO 26 2HB PRO 26 7.057 -6.923 -6.923 228 1HG PRO 26 1HG PRO 26 8.415 -6.032 -6.032 229 2HG PRO 26 2HG PRO 26 9.127 -6.931 -6.931 230 1HD PRO 26 1HD PRO 26 8.110 -8.108 -8.108 231 2HD PRO 26 2HD PRO 26 7.587 -8.753 -8.753 232 H LYS 27 H LYS 27 7.275 -5.254 -5.254 233 HA LYS 27 HA LYS 27 5.639 -2.673 -2.673 234 1HB LYS 27 1HB LYS 27 8.192 -3.064 -3.064 235 2HB LYS 27 2HB LYS 27 7.539 -1.576 -1.576 236 1HG LYS 27 1HG LYS 27 8.641 -1.872 -1.872 237 2HG LYS 27 2HG LYS 27 8.208 -3.578 -3.578 238 1HD LYS 27 1HD LYS 27 10.453 -3.924 -3.924 239 2HD LYS 27 2HD LYS 27 10.145 -3.562 -3.562 240 1HE LYS 27 1HE LYS 27 10.276 -0.978 -0.978 241 2HE LYS 27 2HE LYS 27 11.616 -1.904 -1.904 242 1HZ LYS 27 1HZ LYS 27 11.643 -2.554 -2.554 243 2HZ LYS 27 2HZ LYS 27 11.318 -0.903 -0.903 244 3HZ LYS 27 3HZ LYS 27 12.687 -1.502 -1.502 245 H CYS 28 H CYS 28 4.427 -2.038 -2.038 246 HA CYS 28 HA CYS 28 3.622 -3.820 -3.820 247 1HB CYS 28 1HB CYS 28 2.955 -1.536 -1.536 248 2HB CYS 28 2HB CYS 28 2.126 -2.021 -2.021 249 H ALA 29 H ALA 29 3.769 -2.799 -2.799 250 HA ALA 29 HA ALA 29 6.543 -3.173 -3.173 251 1HB ALA 29 1HB ALA 29 4.467 -3.505 -3.505 252 2HB ALA 29 2HB ALA 29 4.103 -1.766 -1.766 253 3HB ALA 29 3HB ALA 29 5.559 -2.328 -2.328 254 H LYS 30 H LYS 30 4.510 -0.369 -0.369 255 HA LYS 30 HA LYS 30 6.197 1.770 1.770 256 1HB LYS 30 1HB LYS 30 3.852 1.418 1.418 257 2HB LYS 30 2HB LYS 30 4.972 2.009 2.009 258 1HG LYS 30 1HG LYS 30 3.433 3.686 3.686 259 2HG LYS 30 2HG LYS 30 4.979 4.180 4.180 260 1HD LYS 30 1HD LYS 30 4.761 2.958 2.958 261 2HD LYS 30 2HD LYS 30 4.397 4.669 4.669 262 1HE LYS 30 1HE LYS 30 6.741 4.694 4.694 263 2HE LYS 30 2HE LYS 30 7.093 3.217 3.217 264 1HZ LYS 30 1HZ LYS 30 5.975 5.439 5.439 265 2HZ LYS 30 2HZ LYS 30 7.545 5.625 5.625 266 3HZ LYS 30 3HZ LYS 30 7.159 4.320 4.320 267 H CYS 31 H CYS 31 6.081 0.678 0.678 268 HA CYS 31 HA CYS 31 8.334 2.381 2.381 269 1HB CYS 31 1HB CYS 31 7.328 -0.126 -0.126 270 2HB CYS 31 2HB CYS 31 8.260 1.194 1.194 271 H LEU 32 H LEU 32 8.145 -0.951 -0.951 272 HA LEU 32 HA LEU 32 10.958 -1.573 -1.573 273 1HB LEU 32 1HB LEU 32 8.990 -3.241 -3.241 274 2HB LEU 32 2HB LEU 32 9.282 -2.826 -2.826 275 HG LEU 32 HG LEU 32 11.123 -4.366 -4.366 276 1HD1 LEU 32 1HD1 LEU 32 9.279 -5.645 -5.645 277 2HD1 LEU 32 2HD1 LEU 32 9.849 -5.103 -5.103 278 3HD1 LEU 32 3HD1 LEU 32 10.866 -6.165 -6.165 279 1HD2 LEU 32 1HD2 LEU 32 11.858 -3.316 -3.316 280 2HD2 LEU 32 2HD2 LEU 32 12.648 -2.887 -2.887 281 3HD2 LEU 32 3HD2 LEU 32 12.791 -4.534 -4.534 282 H LYS 33 H LYS 33 9.411 0.009 0.009 283 HA LYS 33 HA LYS 33 11.777 -0.305 -0.305 284 1HB LYS 33 1HB LYS 33 9.240 1.480 1.480 285 2HB LYS 33 2HB LYS 33 10.490 1.552 1.552 286 1HG LYS 33 1HG LYS 33 8.375 -0.546 -0.546 287 2HG LYS 33 2HG LYS 33 9.141 -0.041 -0.041 288 1HD LYS 33 1HD LYS 33 11.079 -1.529 -1.529 289 2HD LYS 33 2HD LYS 33 10.472 -1.857 -1.857 290 1HE LYS 33 1HE LYS 33 9.724 -3.756 -3.756 291 2HE LYS 33 2HE LYS 33 8.278 -2.775 -2.775 292 1HZ LYS 33 1HZ LYS 33 9.757 -1.906 -1.906 293 2HZ LYS 33 2HZ LYS 33 9.231 -3.500 -3.500 294 3HZ LYS 33 3HZ LYS 33 8.123 -2.267 -2.267 295 H ASN 34 H ASN 34 10.642 1.971 1.971 296 HA ASN 34 HA ASN 34 12.967 3.824 3.824 297 1HB ASN 34 1HB ASN 34 10.131 4.293 4.293 298 2HB ASN 34 2HB ASN 34 11.366 5.393 5.393 299 1HD2 ASN 34 1HD2 ASN 34 9.783 5.892 5.892 300 2HD2 ASN 34 2HD2 ASN 34 9.476 4.316 4.316 301 H ASN 35 H ASN 35 12.522 1.352 1.352 302 HA ASN 35 HA ASN 35 12.987 0.820 0.820 303 1HB ASN 35 1HB ASN 35 15.296 1.251 1.251 304 2HB ASN 35 2HB ASN 35 15.117 2.982 2.982 305 1HD2 ASN 35 1HD2 ASN 35 15.224 1.633 1.633 306 2HD2 ASN 35 2HD2 ASN 35 13.796 1.200 1.200 307 H TRP 36 H TRP 36 11.050 1.456 1.456 308 HA TRP 36 HA TRP 36 11.187 4.055 4.055 309 1HB TRP 36 1HB TRP 36 8.844 2.933 2.933 310 2HB TRP 36 2HB TRP 36 8.576 4.125 4.125 311 HD1 TRP 36 HD1 TRP 36 11.561 5.646 5.646 312 HE1 TRP 36 HE1 TRP 36 11.429 7.423 7.423 313 HE3 TRP 36 HE3 TRP 36 7.217 3.915 3.915 314 HZ2 TRP 36 HZ2 TRP 36 9.520 7.871 7.871 315 HZ3 TRP 36 HZ3 TRP 36 6.366 4.949 4.949 316 HH2 TRP 36 HH2 TRP 36 7.456 6.932 6.932 317 H GLU 37 H GLU 37 9.313 4.062 4.062 318 HA GLU 37 HA GLU 37 9.642 1.397 1.397 319 1HB GLU 37 1HB GLU 37 10.390 3.847 3.847 320 2HB GLU 37 2HB GLU 37 8.702 4.034 4.034 321 1HG GLU 37 1HG GLU 37 9.309 3.164 3.164 322 2HG GLU 37 2HG GLU 37 9.196 1.602 1.602 323 H CYS 38 H CYS 38 7.946 0.960 0.960 324 HA CYS 38 HA CYS 38 5.213 1.535 1.535 325 1HB CYS 38 1HB CYS 38 6.341 -0.217 -0.217 326 2HB CYS 38 2HB CYS 38 6.315 -1.369 -1.369 327 H ARG 39 H ARG 39 4.593 2.167 2.167 328 HA ARG 39 HA ARG 39 4.563 0.055 0.055 329 1HB ARG 39 1HB ARG 39 5.497 2.522 2.522 330 2HB ARG 39 2HB ARG 39 3.828 3.057 3.057 331 1HG ARG 39 1HG ARG 39 3.563 2.556 2.556 332 2HG ARG 39 2HG ARG 39 4.029 0.881 0.881 333 1HD ARG 39 1HD ARG 39 5.489 2.235 2.235 334 2HD ARG 39 2HD ARG 39 6.383 1.358 1.358 335 HE ARG 39 HE ARG 39 6.969 3.418 3.418 336 1HH1 ARG 39 1HH1 ARG 39 4.565 4.057 4.057 337 2HH1 ARG 39 2HH1 ARG 39 4.817 5.882 5.882 338 1HH2 ARG 39 1HH2 ARG 39 7.188 5.400 5.400 339 2HH2 ARG 39 2HH2 ARG 39 6.244 6.618 6.618 340 H TYR 40 H TYR 40 2.971 -1.233 -1.233 341 HA TYR 40 HA TYR 40 0.182 0.012 0.012 342 1HB TYR 40 1HB TYR 40 0.702 -3.033 -3.033 343 2HB TYR 40 2HB TYR 40 -0.757 -2.214 -2.214 344 HD1 TYR 40 HD1 TYR 40 -0.971 -1.139 -1.139 345 HD2 TYR 40 HD2 TYR 40 2.538 -3.374 -3.374 346 HE1 TYR 40 HE1 TYR 40 -0.558 -1.694 -1.694 347 HE2 TYR 40 HE2 TYR 40 2.657 -4.274 -4.274 348 HH TYR 40 HH TYR 40 1.029 -2.654 -2.654 349 H SER 41 H SER 41 -0.903 0.245 0.245 350 HA SER 41 HA SER 41 -1.115 0.405 0.405 351 1HB SER 41 1HB SER 41 -2.144 -1.471 -1.471 352 2HB SER 41 2HB SER 41 -2.308 -1.849 -1.849 353 HG SER 41 HG SER 41 -0.297 -3.152 -3.152 354 HA PRO 42 HA PRO 42 3.396 0.403 0.403 355 1HB PRO 42 1HB PRO 42 2.246 2.830 2.830 356 2HB PRO 42 2HB PRO 42 3.841 2.634 2.634 357 1HG PRO 42 1HG PRO 42 1.528 3.825 3.825 358 2HG PRO 42 2HG PRO 42 2.703 2.672 2.672 359 1HD PRO 42 1HD PRO 42 0.026 2.329 2.329 360 2HD PRO 42 2HD PRO 42 0.430 1.817 1.817 361 H LYS 43 H LYS 43 1.362 1.955 1.955 362 HA LYS 43 HA LYS 43 1.647 1.829 1.829 363 1HB LYS 43 1HB LYS 43 0.643 -0.113 -0.113 364 2HB LYS 43 2HB LYS 43 0.168 -0.242 -0.242 365 1HG LYS 43 1HG LYS 43 2.812 -1.597 -1.597 366 2HG LYS 43 2HG LYS 43 1.469 -2.234 -2.234 367 1HD LYS 43 1HD LYS 43 0.711 -1.888 -1.888 368 2HD LYS 43 2HD LYS 43 2.228 -2.801 -2.801 369 1HE LYS 43 1HE LYS 43 0.814 -4.625 -4.625 370 2HE LYS 43 2HE LYS 43 0.829 -4.035 -4.035 371 1HZ LYS 43 1HZ LYS 43 -1.063 -2.594 -2.594 372 2HZ LYS 43 2HZ LYS 43 -1.364 -4.249 -4.249 373 3HZ LYS 43 3HZ LYS 43 -1.282 -3.435 -3.435 Start of MODEL 5 1 1H MET 1 1H MET 1 -18.705 10.088 10.088 2 2H MET 1 2H MET 1 -17.934 9.434 9.434 3 3H MET 1 3H MET 1 -18.938 8.471 8.471 4 HA MET 1 HA MET 1 -17.197 7.799 7.799 5 1HB MET 1 1HB MET 1 -15.971 9.832 9.832 6 2HB MET 1 2HB MET 1 -15.073 9.637 9.637 7 1HG MET 1 1HG MET 1 -14.081 8.093 8.093 8 2HG MET 1 2HG MET 1 -14.976 7.107 7.107 9 1HE MET 1 1HE MET 1 -15.477 5.319 5.319 10 2HE MET 1 2HE MET 1 -17.200 5.250 5.250 11 3HE MET 1 3HE MET 1 -15.927 4.758 4.758 12 H LYS 2 H LYS 2 -17.540 7.888 7.888 13 HA LYS 2 HA LYS 2 -17.108 10.582 10.582 14 1HB LYS 2 1HB LYS 2 -19.061 8.703 8.703 15 2HB LYS 2 2HB LYS 2 -19.140 10.451 10.451 16 1HG LYS 2 1HG LYS 2 -19.893 10.188 10.188 17 2HG LYS 2 2HG LYS 2 -19.729 8.439 8.439 18 1HD LYS 2 1HD LYS 2 -21.591 8.414 8.414 19 2HD LYS 2 2HD LYS 2 -21.649 10.188 10.188 20 1HE LYS 2 1HE LYS 2 -23.273 9.864 9.864 21 2HE LYS 2 2HE LYS 2 -21.864 9.782 9.782 22 1HZ LYS 2 1HZ LYS 2 -22.688 7.318 7.318 23 2HZ LYS 2 2HZ LYS 2 -23.600 7.859 7.859 24 3HZ LYS 2 3HZ LYS 2 -21.964 7.524 7.524 25 H LEU 3 H LEU 3 -15.217 10.331 10.331 26 HA LEU 3 HA LEU 3 -14.571 7.650 7.650 27 1HB LEU 3 1HB LEU 3 -12.953 8.307 8.307 28 2HB LEU 3 2HB LEU 3 -12.846 9.945 9.945 29 HG LEU 3 HG LEU 3 -11.853 8.698 8.698 30 1HD1 LEU 3 1HD1 LEU 3 -11.813 6.606 6.606 31 2HD1 LEU 3 2HD1 LEU 3 -10.280 6.800 6.800 32 3HD1 LEU 3 3HD1 LEU 3 -11.782 6.417 6.417 33 1HD2 LEU 3 1HD2 LEU 3 -10.680 10.401 10.401 34 2HD2 LEU 3 2HD2 LEU 3 -9.611 9.266 9.266 35 3HD2 LEU 3 3HD2 LEU 3 -10.037 8.984 8.984 36 H LEU 4 H LEU 4 -14.358 7.336 7.336 37 HA LEU 4 HA LEU 4 -13.338 9.592 9.592 38 1HB LEU 4 1HB LEU 4 -15.138 9.372 9.372 39 2HB LEU 4 2HB LEU 4 -15.804 9.893 9.893 40 HG LEU 4 HG LEU 4 -16.086 7.065 7.065 41 1HD1 LEU 4 1HD1 LEU 4 -15.549 7.534 7.534 42 2HD1 LEU 4 2HD1 LEU 4 -17.312 7.782 7.782 43 3HD1 LEU 4 3HD1 LEU 4 -16.628 6.242 6.242 44 1HD2 LEU 4 1HD2 LEU 4 -17.734 9.127 9.127 45 2HD2 LEU 4 2HD2 LEU 4 -18.397 7.529 7.529 46 3HD2 LEU 4 3HD2 LEU 4 -18.388 8.791 8.791 47 H SER 5 H SER 5 -11.531 8.604 8.604 48 HA SER 5 HA SER 5 -11.270 5.736 5.736 49 1HB SER 5 1HB SER 5 -9.017 6.635 6.635 50 2HB SER 5 2HB SER 5 -9.127 6.518 6.518 51 HG SER 5 HG SER 5 -9.034 8.727 8.727 52 H SER 6 H SER 6 -11.086 4.372 4.372 53 HA SER 6 HA SER 6 -11.142 4.853 4.853 54 1HB SER 6 1HB SER 6 -13.469 6.046 6.046 55 2HB SER 6 2HB SER 6 -14.084 4.511 4.511 56 HG SER 6 HG SER 6 -14.177 5.958 5.958 57 H ILE 7 H ILE 7 -11.695 3.133 3.133 58 HA ILE 7 HA ILE 7 -12.545 0.563 0.563 59 HB ILE 7 HB ILE 7 -10.519 -0.778 -0.778 60 1HG1 ILE 7 1HG1 ILE 7 -8.773 1.185 1.185 61 2HG1 ILE 7 2HG1 ILE 7 -8.674 -0.074 -0.074 62 1HG2 ILE 7 1HG2 ILE 7 -12.627 0.106 0.106 63 2HG2 ILE 7 2HG2 ILE 7 -11.279 0.686 0.686 64 3HG2 ILE 7 3HG2 ILE 7 -11.386 -1.012 -1.012 65 1HD1 ILE 7 1HD1 ILE 7 -10.156 2.462 2.462 66 2HD1 ILE 7 2HD1 ILE 7 -8.386 2.448 2.448 67 3HD1 ILE 7 3HD1 ILE 7 -9.240 1.295 1.295 68 H GLU 8 H GLU 8 -9.441 -0.226 -0.226 69 HA GLU 8 HA GLU 8 -10.134 -0.105 -0.105 70 1HB GLU 8 1HB GLU 8 -9.893 -2.420 -2.420 71 2HB GLU 8 2HB GLU 8 -8.798 -2.577 -2.577 72 1HG GLU 8 1HG GLU 8 -10.556 -3.513 -3.513 73 2HG GLU 8 2HG GLU 8 -11.215 -1.904 -1.904 74 H GLN 9 H GLN 9 -7.823 -1.891 -1.891 75 HA GLN 9 HA GLN 9 -6.138 0.263 0.263 76 1HB GLN 9 1HB GLN 9 -4.841 -1.450 -1.450 77 2HB GLN 9 2HB GLN 9 -6.307 -2.364 -2.364 78 1HG GLN 9 1HG GLN 9 -5.203 -3.107 -3.107 79 2HG GLN 9 2HG GLN 9 -3.734 -2.310 -2.310 80 1HE2 GLN 9 1HE2 GLN 9 -2.880 -5.113 -5.113 81 2HE2 GLN 9 2HE2 GLN 9 -2.587 -3.314 -3.314 82 H ALA 10 H ALA 10 -4.221 1.066 1.066 83 HA ALA 10 HA ALA 10 -2.851 0.120 0.120 84 1HB ALA 10 1HB ALA 10 -4.556 1.657 1.657 85 2HB ALA 10 2HB ALA 10 -4.044 2.989 2.989 86 3HB ALA 10 3HB ALA 10 -2.941 2.368 2.368 87 H CYS 11 H CYS 11 -0.674 0.861 0.861 88 HA CYS 11 HA CYS 11 0.325 1.048 1.048 89 1HB CYS 11 1HB CYS 11 2.601 1.222 1.222 90 2HB CYS 11 2HB CYS 11 1.615 -0.103 -0.103 91 H ASP 12 H ASP 12 2.076 2.580 2.580 92 HA ASP 12 HA ASP 12 0.835 5.178 5.178 93 1HB ASP 12 1HB ASP 12 2.826 4.056 4.056 94 2HB ASP 12 2HB ASP 12 3.886 4.723 4.723 95 H ILE 13 H ILE 13 3.049 3.967 3.967 96 HA ILE 13 HA ILE 13 3.729 6.673 6.673 97 HB ILE 13 HB ILE 13 4.283 3.789 3.789 98 1HG1 ILE 13 1HG1 ILE 13 5.978 4.499 4.499 99 2HG1 ILE 13 2HG1 ILE 13 6.723 4.705 4.705 100 1HG2 ILE 13 1HG2 ILE 13 3.742 5.142 5.142 101 2HG2 ILE 13 2HG2 ILE 13 5.180 6.126 6.126 102 3HG2 ILE 13 3HG2 ILE 13 5.367 4.417 4.417 103 1HD1 ILE 13 1HD1 ILE 13 5.650 7.254 7.254 104 2HD1 ILE 13 2HD1 ILE 13 6.100 6.845 6.845 105 3HD1 ILE 13 3HD1 ILE 13 7.319 6.780 6.780 106 H CYS 14 H CYS 14 1.266 4.382 4.382 107 HA CYS 14 HA CYS 14 0.550 5.713 5.713 108 1HB CYS 14 1HB CYS 14 -0.622 3.417 3.417 109 2HB CYS 14 2HB CYS 14 -1.649 4.187 4.187 110 H ARG 15 H ARG 15 -0.556 5.771 5.771 111 HA ARG 15 HA ARG 15 -2.665 7.654 7.654 112 1HB ARG 15 1HB ARG 15 -0.821 8.480 8.480 113 2HB ARG 15 2HB ARG 15 -2.468 7.887 7.887 114 1HG ARG 15 1HG ARG 15 -0.632 5.596 5.596 115 2HG ARG 15 2HG ARG 15 0.001 6.531 6.531 116 1HD ARG 15 1HD ARG 15 -2.962 6.054 6.054 117 2HD ARG 15 2HD ARG 15 -2.001 4.554 4.554 118 HE ARG 15 HE ARG 15 -1.029 5.077 5.077 119 1HH1 ARG 15 1HH1 ARG 15 -2.633 7.920 7.920 120 2HH1 ARG 15 2HH1 ARG 15 -2.400 8.813 8.813 121 1HH2 ARG 15 1HH2 ARG 15 -0.814 6.105 6.105 122 2HH2 ARG 15 2HH2 ARG 15 -1.412 7.832 7.832 123 H LEU 16 H LEU 16 0.768 8.460 8.460 124 HA LEU 16 HA LEU 16 0.177 11.367 11.367 125 1HB LEU 16 1HB LEU 16 2.825 9.772 9.772 126 2HB LEU 16 2HB LEU 16 2.768 11.523 11.523 127 HG LEU 16 HG LEU 16 3.287 10.328 10.328 128 1HD1 LEU 16 1HD1 LEU 16 2.607 12.744 12.744 129 2HD1 LEU 16 2HD1 LEU 16 0.889 12.288 12.288 130 3HD1 LEU 16 3HD1 LEU 16 1.980 11.978 11.978 131 1HD2 LEU 16 1HD2 LEU 16 0.256 9.674 9.674 132 2HD2 LEU 16 2HD2 LEU 16 1.601 8.506 8.506 133 3HD2 LEU 16 3HD2 LEU 16 1.298 9.542 9.542 134 H LYS 17 H LYS 17 1.552 8.976 8.976 135 HA LYS 17 HA LYS 17 2.239 11.064 11.064 136 1HB LYS 17 1HB LYS 17 2.987 8.323 8.323 137 2HB LYS 17 2HB LYS 17 2.153 8.215 8.215 138 1HG LYS 17 1HG LYS 17 4.736 8.543 8.543 139 2HG LYS 17 2HG LYS 17 3.786 9.607 9.607 140 1HD LYS 17 1HD LYS 17 4.366 11.514 11.514 141 2HD LYS 17 2HD LYS 17 4.540 10.594 10.594 142 1HE LYS 17 1HE LYS 17 6.816 11.232 11.232 143 2HE LYS 17 2HE LYS 17 6.640 9.470 9.470 144 1HZ LYS 17 1HZ LYS 17 5.639 10.583 10.583 145 2HZ LYS 17 2HZ LYS 17 7.208 11.120 11.120 146 3HZ LYS 17 3HZ LYS 17 6.879 9.471 9.471 147 H LYS 18 H LYS 18 -0.467 9.196 9.196 148 HA LYS 18 HA LYS 18 -2.502 8.762 8.762 149 1HB LYS 18 1HB LYS 18 -1.627 11.324 11.324 150 2HB LYS 18 2HB LYS 18 -2.970 10.368 10.368 151 1HG LYS 18 1HG LYS 18 -4.388 11.013 11.013 152 2HG LYS 18 2HG LYS 18 -3.116 10.849 10.849 153 1HD LYS 18 1HD LYS 18 -2.491 13.113 13.113 154 2HD LYS 18 2HD LYS 18 -2.926 13.187 13.187 155 1HE LYS 18 1HE LYS 18 -5.237 13.536 13.536 156 2HE LYS 18 2HE LYS 18 -5.222 12.647 12.647 157 1HZ LYS 18 1HZ LYS 18 -3.467 14.812 14.812 158 2HZ LYS 18 2HZ LYS 18 -4.887 15.402 15.402 159 3HZ LYS 18 3HZ LYS 18 -4.939 14.553 14.553 160 H LEU 19 H LEU 19 -1.447 6.862 6.862 161 HA LEU 19 HA LEU 19 -0.933 6.445 6.445 162 1HB LEU 19 1HB LEU 19 0.737 5.494 5.494 163 2HB LEU 19 2HB LEU 19 0.708 4.529 4.529 164 HG LEU 19 HG LEU 19 1.984 6.064 6.064 165 1HD1 LEU 19 1HD1 LEU 19 0.934 8.217 8.217 166 2HD1 LEU 19 2HD1 LEU 19 2.352 8.525 8.525 167 3HD1 LEU 19 3HD1 LEU 19 0.785 8.146 8.146 168 1HD2 LEU 19 1HD2 LEU 19 3.044 5.280 5.280 169 2HD2 LEU 19 2HD2 LEU 19 3.964 6.094 6.094 170 3HD2 LEU 19 3HD2 LEU 19 3.308 7.044 7.044 171 H LYS 20 H LYS 20 -1.037 4.221 4.221 172 HA LYS 20 HA LYS 20 -3.356 2.842 2.842 173 1HB LYS 20 1HB LYS 20 -2.643 1.092 1.092 174 2HB LYS 20 2HB LYS 20 -3.791 2.409 2.409 175 1HG LYS 20 1HG LYS 20 -1.159 3.589 3.589 176 2HG LYS 20 2HG LYS 20 -1.138 2.029 2.029 177 1HD LYS 20 1HD LYS 20 -3.252 2.735 2.735 178 2HD LYS 20 2HD LYS 20 -3.223 4.284 4.284 179 1HE LYS 20 1HE LYS 20 -1.095 4.961 4.961 180 2HE LYS 20 2HE LYS 20 -0.737 3.325 3.325 181 1HZ LYS 20 1HZ LYS 20 -2.938 3.581 3.581 182 2HZ LYS 20 2HZ LYS 20 -2.740 5.231 5.231 183 3HZ LYS 20 3HZ LYS 20 -1.562 4.363 4.363 184 H CYS 21 H CYS 21 -3.352 0.767 0.767 185 HA CYS 21 HA CYS 21 -0.557 -0.198 -0.198 186 1HB CYS 21 1HB CYS 21 -1.727 1.335 1.335 187 2HB CYS 21 2HB CYS 21 -2.943 0.067 0.067 188 H SER 22 H SER 22 -1.143 -1.669 -1.669 189 HA SER 22 HA SER 22 -2.830 -3.901 -3.901 190 1HB SER 22 1HB SER 22 -0.739 -5.370 -5.370 191 2HB SER 22 2HB SER 22 -1.201 -4.087 -4.087 192 HG SER 22 HG SER 22 0.729 -3.716 -3.716 193 H LYS 23 H LYS 23 -0.307 -3.183 -3.183 194 HA LYS 23 HA LYS 23 -0.582 -3.658 -3.658 195 1HB LYS 23 1HB LYS 23 -2.685 -5.709 -5.709 196 2HB LYS 23 2HB LYS 23 -2.228 -5.580 -5.580 197 1HG LYS 23 1HG LYS 23 -2.799 -2.884 -2.884 198 2HG LYS 23 2HG LYS 23 -3.906 -3.717 -3.717 199 1HD LYS 23 1HD LYS 23 -4.610 -5.066 -5.066 200 2HD LYS 23 2HD LYS 23 -3.738 -3.793 -3.793 201 1HE LYS 23 1HE LYS 23 -5.796 -2.672 -2.672 202 2HE LYS 23 2HE LYS 23 -5.182 -2.161 -2.161 203 1HZ LYS 23 1HZ LYS 23 -6.402 -4.776 -4.776 204 2HZ LYS 23 2HZ LYS 23 -7.458 -3.547 -3.547 205 3HZ LYS 23 3HZ LYS 23 -6.630 -3.451 -3.451 206 H GLU 24 H GLU 24 0.709 -5.523 -5.523 207 HA GLU 24 HA GLU 24 1.731 -7.809 -7.809 208 1HB GLU 24 1HB GLU 24 4.090 -7.044 -7.044 209 2HB GLU 24 2HB GLU 24 2.781 -7.525 -7.525 210 1HG GLU 24 1HG GLU 24 2.228 -5.045 -5.045 211 2HG GLU 24 2HG GLU 24 3.575 -4.587 -4.587 212 H LYS 25 H LYS 25 3.731 -8.243 -8.243 213 HA LYS 25 HA LYS 25 4.198 -6.224 -6.224 214 1HB LYS 25 1HB LYS 25 3.055 -9.077 -9.077 215 2HB LYS 25 2HB LYS 25 3.863 -8.265 -8.265 216 1HG LYS 25 1HG LYS 25 2.180 -6.319 -6.319 217 2HG LYS 25 2HG LYS 25 1.368 -7.202 -7.202 218 1HD LYS 25 1HD LYS 25 1.455 -7.694 -7.694 219 2HD LYS 25 2HD LYS 25 0.061 -7.691 -7.691 220 1HE LYS 25 1HE LYS 25 2.156 -9.816 -9.816 221 2HE LYS 25 2HE LYS 25 1.260 -10.046 -10.046 222 1HZ LYS 25 1HZ LYS 25 -0.176 -9.368 -9.368 223 2HZ LYS 25 2HZ LYS 25 0.262 -10.955 -10.955 224 3HZ LYS 25 3HZ LYS 25 -0.760 -10.114 -10.114 225 HA PRO 26 HA PRO 26 5.189 -6.434 -6.434 226 1HB PRO 26 1HB PRO 26 7.425 -4.939 -4.939 227 2HB PRO 26 2HB PRO 26 7.227 -6.728 -6.728 228 1HG PRO 26 1HG PRO 26 8.532 -5.800 -5.800 229 2HG PRO 26 2HG PRO 26 9.282 -6.657 -6.657 230 1HD PRO 26 1HD PRO 26 8.318 -7.885 -7.885 231 2HD PRO 26 2HD PRO 26 7.839 -8.550 -8.550 232 H LYS 27 H LYS 27 7.339 -5.079 -5.079 233 HA LYS 27 HA LYS 27 5.570 -2.590 -2.590 234 1HB LYS 27 1HB LYS 27 7.707 -2.083 -2.083 235 2HB LYS 27 2HB LYS 27 7.585 -1.486 -1.486 236 1HG LYS 27 1HG LYS 27 9.313 -2.860 -2.860 237 2HG LYS 27 2HG LYS 27 8.586 -4.290 -4.290 238 1HD LYS 27 1HD LYS 27 9.895 -2.316 -2.316 239 2HD LYS 27 2HD LYS 27 10.981 -3.120 -3.120 240 1HE LYS 27 1HE LYS 27 8.908 -4.861 -4.861 241 2HE LYS 27 2HE LYS 27 10.315 -4.327 -4.327 242 1HZ LYS 27 1HZ LYS 27 11.404 -5.090 -5.090 243 2HZ LYS 27 2HZ LYS 27 10.183 -6.224 -6.224 244 3HZ LYS 27 3HZ LYS 27 11.363 -6.005 -6.005 245 H CYS 28 H CYS 28 4.364 -1.968 -1.968 246 HA CYS 28 HA CYS 28 3.620 -3.772 -3.772 247 1HB CYS 28 1HB CYS 28 2.920 -1.531 -1.531 248 2HB CYS 28 2HB CYS 28 2.100 -1.988 -1.988 249 H ALA 29 H ALA 29 3.746 -2.823 -2.823 250 HA ALA 29 HA ALA 29 6.526 -3.193 -3.193 251 1HB ALA 29 1HB ALA 29 4.442 -3.632 -3.632 252 2HB ALA 29 2HB ALA 29 4.045 -1.898 -1.898 253 3HB ALA 29 3HB ALA 29 5.504 -2.469 -2.469 254 H LYS 30 H LYS 30 4.439 -0.432 -0.432 255 HA LYS 30 HA LYS 30 6.079 1.740 1.740 256 1HB LYS 30 1HB LYS 30 3.726 1.367 1.367 257 2HB LYS 30 2HB LYS 30 4.796 1.873 1.873 258 1HG LYS 30 1HG LYS 30 3.257 3.610 3.610 259 2HG LYS 30 2HG LYS 30 4.661 4.095 4.095 260 1HD LYS 30 1HD LYS 30 4.512 5.092 5.092 261 2HD LYS 30 2HD LYS 30 6.052 4.258 4.258 262 1HE LYS 30 1HE LYS 30 5.331 3.600 3.600 263 2HE LYS 30 2HE LYS 30 5.112 2.164 2.164 264 1HZ LYS 30 1HZ LYS 30 2.743 3.086 3.086 265 2HZ LYS 30 2HZ LYS 30 3.050 4.015 4.015 266 3HZ LYS 30 3HZ LYS 30 3.122 2.337 2.337 267 H CYS 31 H CYS 31 6.054 0.655 0.655 268 HA CYS 31 HA CYS 31 8.322 2.361 2.361 269 1HB CYS 31 1HB CYS 31 7.318 -0.159 -0.159 270 2HB CYS 31 2HB CYS 31 8.402 1.053 1.053 271 H LEU 32 H LEU 32 8.154 -0.974 -0.974 272 HA LEU 32 HA LEU 32 11.017 -1.513 -1.513 273 1HB LEU 32 1HB LEU 32 9.141 -3.265 -3.265 274 2HB LEU 32 2HB LEU 32 9.220 -2.753 -2.753 275 HG LEU 32 HG LEU 32 11.467 -4.138 -4.138 276 1HD1 LEU 32 1HD1 LEU 32 9.489 -5.604 -5.604 277 2HD1 LEU 32 2HD1 LEU 32 9.877 -5.187 -5.187 278 3HD1 LEU 32 3HD1 LEU 32 11.059 -6.091 -6.091 279 1HD2 LEU 32 1HD2 LEU 32 12.358 -2.456 -2.456 280 2HD2 LEU 32 2HD2 LEU 32 12.779 -4.131 -4.131 281 3HD2 LEU 32 3HD2 LEU 32 11.464 -3.289 -3.289 282 H LYS 33 H LYS 33 9.282 0.070 0.070 283 HA LYS 33 HA LYS 33 11.582 -0.067 -0.067 284 1HB LYS 33 1HB LYS 33 8.893 1.481 1.481 285 2HB LYS 33 2HB LYS 33 10.102 1.707 1.707 286 1HG LYS 33 1HG LYS 33 9.319 -1.186 -1.186 287 2HG LYS 33 2HG LYS 33 8.087 -0.181 -0.181 288 1HD LYS 33 1HD LYS 33 10.220 0.366 0.366 289 2HD LYS 33 2HD LYS 33 10.744 -1.216 -1.216 290 1HE LYS 33 1HE LYS 33 8.100 -1.844 -1.844 291 2HE LYS 33 2HE LYS 33 8.273 -0.551 -0.551 292 1HZ LYS 33 1HZ LYS 33 10.327 -2.670 -2.670 293 2HZ LYS 33 2HZ LYS 33 8.924 -2.899 -2.899 294 3HZ LYS 33 3HZ LYS 33 9.988 -1.659 -1.659 295 H ASN 34 H ASN 34 10.451 2.064 2.064 296 HA ASN 34 HA ASN 34 12.650 4.041 4.041 297 1HB ASN 34 1HB ASN 34 9.873 4.348 4.348 298 2HB ASN 34 2HB ASN 34 11.092 5.520 5.520 299 1HD2 ASN 34 1HD2 ASN 34 9.097 6.032 6.032 300 2HD2 ASN 34 2HD2 ASN 34 8.602 4.840 4.840 301 H ASN 35 H ASN 35 12.465 1.518 1.518 302 HA ASN 35 HA ASN 35 13.081 0.965 0.965 303 1HB ASN 35 1HB ASN 35 15.300 1.555 1.555 304 2HB ASN 35 2HB ASN 35 15.040 3.262 3.262 305 1HD2 ASN 35 1HD2 ASN 35 15.514 1.788 1.788 306 2HD2 ASN 35 2HD2 ASN 35 14.015 1.340 1.340 307 H TRP 36 H TRP 36 11.152 1.490 1.490 308 HA TRP 36 HA TRP 36 11.237 4.053 4.053 309 1HB TRP 36 1HB TRP 36 8.957 2.809 2.809 310 2HB TRP 36 2HB TRP 36 8.576 3.915 3.915 311 HD1 TRP 36 HD1 TRP 36 11.455 5.698 5.698 312 HE1 TRP 36 HE1 TRP 36 11.132 7.528 7.528 313 HE3 TRP 36 HE3 TRP 36 7.117 3.802 3.802 314 HZ2 TRP 36 HZ2 TRP 36 9.133 7.893 7.893 315 HZ3 TRP 36 HZ3 TRP 36 6.144 4.801 4.801 316 HH2 TRP 36 HH2 TRP 36 7.137 6.800 6.800 317 H GLU 37 H GLU 37 9.358 3.904 3.904 318 HA GLU 37 HA GLU 37 10.035 1.291 1.291 319 1HB GLU 37 1HB GLU 37 10.675 3.799 3.799 320 2HB GLU 37 2HB GLU 37 9.024 3.861 3.861 321 1HG GLU 37 1HG GLU 37 10.145 1.388 1.388 322 2HG GLU 37 2HG GLU 37 11.382 2.601 2.601 323 H CYS 38 H CYS 38 8.139 0.908 0.908 324 HA CYS 38 HA CYS 38 5.475 1.476 1.476 325 1HB CYS 38 1HB CYS 38 6.490 -0.195 -0.195 326 2HB CYS 38 2HB CYS 38 6.459 -1.435 -1.435 327 H ARG 39 H ARG 39 4.675 1.913 1.913 328 HA ARG 39 HA ARG 39 4.330 -0.402 -0.402 329 1HB ARG 39 1HB ARG 39 4.325 2.531 2.531 330 2HB ARG 39 2HB ARG 39 2.756 1.945 1.945 331 1HG ARG 39 1HG ARG 39 3.950 0.349 0.349 332 2HG ARG 39 2HG ARG 39 5.499 0.982 0.982 333 1HD ARG 39 1HD ARG 39 3.907 3.302 3.302 334 2HD ARG 39 2HD ARG 39 3.608 2.098 2.098 335 HE ARG 39 HE ARG 39 6.395 1.946 1.946 336 1HH1 ARG 39 1HH1 ARG 39 4.245 4.520 4.520 337 2HH1 ARG 39 2HH1 ARG 39 5.570 5.413 5.413 338 1HH2 ARG 39 1HH2 ARG 39 7.776 2.968 2.968 339 2HH2 ARG 39 2HH2 ARG 39 7.492 4.574 4.574 340 H TYR 40 H TYR 40 2.025 -0.668 -0.668 341 HA TYR 40 HA TYR 40 0.026 -0.060 -0.060 342 1HB TYR 40 1HB TYR 40 0.642 -2.797 -2.797 343 2HB TYR 40 2HB TYR 40 -0.988 -2.479 -2.479 344 HD1 TYR 40 HD1 TYR 40 -0.683 -0.940 -0.940 345 HD2 TYR 40 HD2 TYR 40 1.479 -4.366 -4.366 346 HE1 TYR 40 HE1 TYR 40 0.118 -1.413 -1.413 347 HE2 TYR 40 HE2 TYR 40 2.449 -4.684 -4.684 348 HH TYR 40 HH TYR 40 1.534 -3.467 -3.467 349 H SER 41 H SER 41 0.547 -0.729 -0.729 350 HA SER 41 HA SER 41 -1.547 0.985 0.985 351 1HB SER 41 1HB SER 41 -2.657 -1.539 -1.539 352 2HB SER 41 2HB SER 41 -3.115 -1.360 -1.360 353 HG SER 41 HG SER 41 -4.329 -0.289 -0.289 354 HA PRO 42 HA PRO 42 -0.020 -0.418 -0.418 355 1HB PRO 42 1HB PRO 42 -1.347 1.581 1.581 356 2HB PRO 42 2HB PRO 42 0.225 1.848 1.848 357 1HG PRO 42 1HG PRO 42 -2.625 2.748 2.748 358 2HG PRO 42 2HG PRO 42 -0.944 3.203 3.203 359 1HD PRO 42 1HD PRO 42 -3.176 1.210 1.210 360 2HD PRO 42 2HD PRO 42 -1.947 1.985 1.985 361 H LYS 43 H LYS 43 -3.141 1.039 1.039 362 HA LYS 43 HA LYS 43 -4.472 -1.488 -1.488 363 1HB LYS 43 1HB LYS 43 -4.276 -1.666 -1.666 364 2HB LYS 43 2HB LYS 43 -2.628 -1.501 -1.501 365 1HG LYS 43 1HG LYS 43 -2.372 0.694 0.694 366 2HG LYS 43 2HG LYS 43 -4.085 1.078 1.078 367 1HD LYS 43 1HD LYS 43 -2.879 -0.890 -0.890 368 2HD LYS 43 2HD LYS 43 -3.160 0.833 0.833 369 1HE LYS 43 1HE LYS 43 -5.663 0.277 0.277 370 2HE LYS 43 2HE LYS 43 -5.252 -1.377 -1.377 371 1HZ LYS 43 1HZ LYS 43 -4.647 -0.553 -0.553 372 2HZ LYS 43 2HZ LYS 43 -5.066 1.014 1.014 373 3HZ LYS 43 3HZ LYS 43 -6.244 -0.184 -0.184 Start of MODEL 6 1 1H MET 1 1H MET 1 -12.474 2.759 2.759 2 2H MET 1 2H MET 1 -10.866 2.865 2.865 3 3H MET 1 3H MET 1 -11.987 2.081 2.081 4 HA MET 1 HA MET 1 -12.233 0.294 0.294 5 1HB MET 1 1HB MET 1 -9.745 0.969 0.969 6 2HB MET 1 2HB MET 1 -9.280 0.651 0.651 7 1HG MET 1 1HG MET 1 -9.753 -1.658 -1.658 8 2HG MET 1 2HG MET 1 -11.058 -1.433 -1.433 9 1HE MET 1 1HE MET 1 -7.483 -1.391 -1.391 10 2HE MET 1 2HE MET 1 -6.554 -1.797 -1.797 11 3HE MET 1 3HE MET 1 -7.042 -0.102 -0.102 12 H LYS 2 H LYS 2 -13.433 0.995 0.995 13 HA LYS 2 HA LYS 2 -11.831 1.187 1.187 14 1HB LYS 2 1HB LYS 2 -12.129 3.559 3.559 15 2HB LYS 2 2HB LYS 2 -13.830 3.313 3.313 16 1HG LYS 2 1HG LYS 2 -14.172 4.173 4.173 17 2HG LYS 2 2HG LYS 2 -13.831 2.531 2.531 18 1HD LYS 2 1HD LYS 2 -11.421 3.208 3.208 19 2HD LYS 2 2HD LYS 2 -11.777 4.830 4.830 20 1HE LYS 2 1HE LYS 2 -12.961 3.520 3.520 21 2HE LYS 2 2HE LYS 2 -11.973 4.987 4.987 22 1HZ LYS 2 1HZ LYS 2 -13.812 5.889 5.889 23 2HZ LYS 2 2HZ LYS 2 -14.756 4.618 4.618 24 3HZ LYS 2 3HZ LYS 2 -14.138 5.752 5.752 25 H LEU 3 H LEU 3 -12.898 0.668 0.668 26 HA LEU 3 HA LEU 3 -14.476 -0.587 -0.587 27 1HB LEU 3 1HB LEU 3 -16.706 -0.249 -0.249 28 2HB LEU 3 2HB LEU 3 -16.163 0.832 0.832 29 HG LEU 3 HG LEU 3 -16.251 -1.458 -1.458 30 1HD1 LEU 3 1HD1 LEU 3 -17.662 -2.132 -2.132 31 2HD1 LEU 3 2HD1 LEU 3 -18.723 -2.319 -2.319 32 3HD1 LEU 3 3HD1 LEU 3 -17.177 -3.200 -3.200 33 1HD2 LEU 3 1HD2 LEU 3 -18.711 0.278 0.278 34 2HD2 LEU 3 2HD2 LEU 3 -17.537 0.628 0.628 35 3HD2 LEU 3 3HD2 LEU 3 -18.605 -0.797 -0.797 36 H LEU 4 H LEU 4 -12.915 -1.545 -1.545 37 HA LEU 4 HA LEU 4 -13.983 -3.790 -3.790 38 1HB LEU 4 1HB LEU 4 -11.347 -4.682 -4.682 39 2HB LEU 4 2HB LEU 4 -11.853 -4.222 -4.222 40 HG LEU 4 HG LEU 4 -9.851 -3.000 -3.000 41 1HD1 LEU 4 1HD1 LEU 4 -12.268 -1.827 -1.827 42 2HD1 LEU 4 2HD1 LEU 4 -11.426 -0.574 -0.574 43 3HD1 LEU 4 3HD1 LEU 4 -10.572 -1.447 -1.447 44 1HD2 LEU 4 1HD2 LEU 4 -11.110 -2.705 -2.705 45 2HD2 LEU 4 2HD2 LEU 4 -9.656 -1.842 -1.842 46 3HD2 LEU 4 3HD2 LEU 4 -11.254 -1.066 -1.066 47 H SER 5 H SER 5 -12.210 -4.180 -4.180 48 HA SER 5 HA SER 5 -14.254 -6.276 -6.276 49 1HB SER 5 1HB SER 5 -11.541 -6.937 -6.937 50 2HB SER 5 2HB SER 5 -11.739 -7.533 -7.533 51 HG SER 5 HG SER 5 -12.457 -9.056 -9.056 52 H SER 6 H SER 6 -13.568 -7.296 -7.296 53 HA SER 6 HA SER 6 -13.288 -5.102 -5.102 54 1HB SER 6 1HB SER 6 -13.579 -6.745 -6.745 55 2HB SER 6 2HB SER 6 -14.434 -7.470 -7.470 56 HG SER 6 HG SER 6 -12.345 -8.586 -8.586 57 H ILE 7 H ILE 7 -11.541 -6.517 -6.517 58 HA ILE 7 HA ILE 7 -9.180 -5.550 -5.550 59 HB ILE 7 HB ILE 7 -9.128 -7.748 -7.748 60 1HG1 ILE 7 1HG1 ILE 7 -6.532 -6.591 -6.591 61 2HG1 ILE 7 2HG1 ILE 7 -7.775 -7.285 -7.285 62 1HG2 ILE 7 1HG2 ILE 7 -8.429 -6.249 -6.249 63 2HG2 ILE 7 2HG2 ILE 7 -6.943 -5.844 -5.844 64 3HG2 ILE 7 3HG2 ILE 7 -7.286 -7.511 -7.511 65 1HD1 ILE 7 1HD1 ILE 7 -7.638 -9.492 -9.492 66 2HD1 ILE 7 2HD1 ILE 7 -6.266 -8.857 -8.857 67 3HD1 ILE 7 3HD1 ILE 7 -6.135 -9.055 -9.055 68 H GLU 8 H GLU 8 -10.281 -3.544 -3.544 69 HA GLU 8 HA GLU 8 -9.022 -1.929 -1.929 70 1HB GLU 8 1HB GLU 8 -11.382 -1.705 -1.705 71 2HB GLU 8 2HB GLU 8 -10.416 -0.262 -0.262 72 1HG GLU 8 1HG GLU 8 -12.249 -1.000 -1.000 73 2HG GLU 8 2HG GLU 8 -11.580 0.568 0.568 74 H GLN 9 H GLN 9 -7.525 -3.219 -3.219 75 HA GLN 9 HA GLN 9 -6.299 -1.114 -1.114 76 1HB GLN 9 1HB GLN 9 -5.271 -3.047 -3.047 77 2HB GLN 9 2HB GLN 9 -5.739 -3.876 -3.876 78 1HG GLN 9 1HG GLN 9 -3.569 -3.795 -3.795 79 2HG GLN 9 2HG GLN 9 -3.482 -2.062 -2.062 80 1HE2 GLN 9 1HE2 GLN 9 -1.004 -4.159 -4.159 81 2HE2 GLN 9 2HE2 GLN 9 -1.726 -4.551 -4.551 82 H ALA 10 H ALA 10 -4.005 -0.409 -0.409 83 HA ALA 10 HA ALA 10 -2.881 -0.259 -0.259 84 1HB ALA 10 1HB ALA 10 -4.877 1.132 1.132 85 2HB ALA 10 2HB ALA 10 -4.525 2.277 2.277 86 3HB ALA 10 3HB ALA 10 -3.422 2.144 2.144 87 H CYS 11 H CYS 11 -0.857 0.823 0.823 88 HA CYS 11 HA CYS 11 0.201 1.006 1.006 89 1HB CYS 11 1HB CYS 11 2.417 1.010 1.010 90 2HB CYS 11 2HB CYS 11 1.380 -0.189 -0.189 91 H ASP 12 H ASP 12 1.972 2.665 2.665 92 HA ASP 12 HA ASP 12 0.508 5.208 5.208 93 1HB ASP 12 1HB ASP 12 2.607 4.093 4.093 94 2HB ASP 12 2HB ASP 12 3.541 5.122 5.122 95 H ILE 13 H ILE 13 3.290 4.165 4.165 96 HA ILE 13 HA ILE 13 3.832 6.752 6.752 97 HB ILE 13 HB ILE 13 4.407 3.865 3.865 98 1HG1 ILE 13 1HG1 ILE 13 6.036 4.730 4.730 99 2HG1 ILE 13 2HG1 ILE 13 6.830 4.707 4.707 100 1HG2 ILE 13 1HG2 ILE 13 3.928 5.042 5.042 101 2HG2 ILE 13 2HG2 ILE 13 5.210 6.219 6.219 102 3HG2 ILE 13 3HG2 ILE 13 5.581 4.498 4.498 103 1HD1 ILE 13 1HD1 ILE 13 6.189 7.236 7.236 104 2HD1 ILE 13 2HD1 ILE 13 5.843 7.191 7.191 105 3HD1 ILE 13 3HD1 ILE 13 7.482 6.820 6.820 106 H CYS 14 H CYS 14 1.406 4.449 4.449 107 HA CYS 14 HA CYS 14 0.784 5.789 5.789 108 1HB CYS 14 1HB CYS 14 -0.444 3.478 3.478 109 2HB CYS 14 2HB CYS 14 -1.407 4.231 4.231 110 H ARG 15 H ARG 15 -0.413 5.824 5.824 111 HA ARG 15 HA ARG 15 -2.535 7.685 7.685 112 1HB ARG 15 1HB ARG 15 -0.507 6.983 6.983 113 2HB ARG 15 2HB ARG 15 -1.045 8.645 8.645 114 1HG ARG 15 1HG ARG 15 -2.917 7.854 7.854 115 2HG ARG 15 2HG ARG 15 -3.480 7.144 7.144 116 1HD ARG 15 1HD ARG 15 -3.334 5.133 5.133 117 2HD ARG 15 2HD ARG 15 -1.574 5.244 5.244 118 HE ARG 15 HE ARG 15 -1.259 5.896 5.896 119 1HH1 ARG 15 1HH1 ARG 15 -4.655 5.999 5.999 120 2HH1 ARG 15 2HH1 ARG 15 -5.101 6.208 6.208 121 1HH2 ARG 15 1HH2 ARG 15 -1.817 6.122 6.122 122 2HH2 ARG 15 2HH2 ARG 15 -3.563 6.274 6.274 123 H LEU 16 H LEU 16 0.892 8.527 8.527 124 HA LEU 16 HA LEU 16 0.291 11.426 11.426 125 1HB LEU 16 1HB LEU 16 2.936 9.841 9.841 126 2HB LEU 16 2HB LEU 16 2.879 11.592 11.592 127 HG LEU 16 HG LEU 16 2.255 11.685 11.685 128 1HD1 LEU 16 1HD1 LEU 16 0.361 9.944 9.944 129 2HD1 LEU 16 2HD1 LEU 16 1.567 8.667 8.667 130 3HD1 LEU 16 3HD1 LEU 16 1.312 9.845 9.845 131 1HD2 LEU 16 1HD2 LEU 16 4.619 10.832 10.832 132 2HD2 LEU 16 2HD2 LEU 16 3.960 10.289 10.289 133 3HD2 LEU 16 3HD2 LEU 16 4.035 9.168 9.168 134 H LYS 17 H LYS 17 1.727 9.123 9.123 135 HA LYS 17 HA LYS 17 2.192 11.273 11.273 136 1HB LYS 17 1HB LYS 17 2.279 8.201 8.201 137 2HB LYS 17 2HB LYS 17 3.011 9.401 9.401 138 1HG LYS 17 1HG LYS 17 3.843 8.788 8.788 139 2HG LYS 17 2HG LYS 17 4.731 8.331 8.331 140 1HD LYS 17 1HD LYS 17 4.325 11.222 11.222 141 2HD LYS 17 2HD LYS 17 4.833 10.772 10.772 142 1HE LYS 17 1HE LYS 17 6.286 9.790 9.790 143 2HE LYS 17 2HE LYS 17 6.819 11.191 11.191 144 1HZ LYS 17 1HZ LYS 17 6.466 9.290 9.290 145 2HZ LYS 17 2HZ LYS 17 7.064 8.396 8.396 146 3HZ LYS 17 3HZ LYS 17 7.932 9.713 9.713 147 H LYS 18 H LYS 18 -0.372 9.274 9.274 148 HA LYS 18 HA LYS 18 -2.414 8.682 8.682 149 1HB LYS 18 1HB LYS 18 -1.830 11.383 11.383 150 2HB LYS 18 2HB LYS 18 -3.115 10.358 10.358 151 1HG LYS 18 1HG LYS 18 -4.489 10.636 10.636 152 2HG LYS 18 2HG LYS 18 -3.117 10.722 10.722 153 1HD LYS 18 1HD LYS 18 -3.091 13.096 13.096 154 2HD LYS 18 2HD LYS 18 -4.755 12.842 12.842 155 1HE LYS 18 1HE LYS 18 -3.916 12.586 12.586 156 2HE LYS 18 2HE LYS 18 -2.260 12.901 12.901 157 1HZ LYS 18 1HZ LYS 18 -3.076 15.035 15.035 158 2HZ LYS 18 2HZ LYS 18 -4.574 14.753 14.753 159 3HZ LYS 18 3HZ LYS 18 -3.206 14.930 14.930 160 H LEU 19 H LEU 19 -1.157 6.921 6.921 161 HA LEU 19 HA LEU 19 -1.283 6.589 6.589 162 1HB LEU 19 1HB LEU 19 0.559 4.848 4.848 163 2HB LEU 19 2HB LEU 19 0.517 4.939 4.939 164 HG LEU 19 HG LEU 19 2.380 6.178 6.178 165 1HD1 LEU 19 1HD1 LEU 19 0.473 7.997 7.997 166 2HD1 LEU 19 2HD1 LEU 19 0.913 8.525 8.525 167 3HD1 LEU 19 3HD1 LEU 19 2.126 8.537 8.537 168 1HD2 LEU 19 1HD2 LEU 19 2.752 5.483 5.483 169 2HD2 LEU 19 2HD2 LEU 19 3.315 7.146 7.146 170 3HD2 LEU 19 3HD2 LEU 19 1.788 6.881 6.881 171 H LYS 20 H LYS 20 -1.380 4.222 4.222 172 HA LYS 20 HA LYS 20 -3.583 2.993 2.993 173 1HB LYS 20 1HB LYS 20 -2.236 2.016 2.016 174 2HB LYS 20 2HB LYS 20 -3.603 1.220 1.220 175 1HG LYS 20 1HG LYS 20 -3.949 4.198 4.198 176 2HG LYS 20 2HG LYS 20 -3.835 3.140 3.140 177 1HD LYS 20 1HD LYS 20 -5.701 1.810 1.810 178 2HD LYS 20 2HD LYS 20 -6.013 3.516 3.516 179 1HE LYS 20 1HE LYS 20 -5.942 3.935 3.935 180 2HE LYS 20 2HE LYS 20 -6.087 2.179 2.179 181 1HZ LYS 20 1HZ LYS 20 -8.002 2.560 2.560 182 2HZ LYS 20 2HZ LYS 20 -8.026 4.089 4.089 183 3HZ LYS 20 3HZ LYS 20 -8.259 2.724 2.724 184 H CYS 21 H CYS 21 -3.526 0.782 0.782 185 HA CYS 21 HA CYS 21 -0.689 -0.140 -0.140 186 1HB CYS 21 1HB CYS 21 -1.772 1.419 1.419 187 2HB CYS 21 2HB CYS 21 -2.891 0.092 0.092 188 H SER 22 H SER 22 -1.375 -1.629 -1.629 189 HA SER 22 HA SER 22 -3.059 -3.851 -3.851 190 1HB SER 22 1HB SER 22 -0.988 -5.320 -5.320 191 2HB SER 22 2HB SER 22 -1.545 -4.067 -4.067 192 HG SER 22 HG SER 22 0.840 -4.343 -4.343 193 H LYS 23 H LYS 23 -0.352 -3.167 -3.167 194 HA LYS 23 HA LYS 23 -0.443 -3.619 -3.619 195 1HB LYS 23 1HB LYS 23 -2.648 -5.678 -5.678 196 2HB LYS 23 2HB LYS 23 -2.081 -5.426 -5.426 197 1HG LYS 23 1HG LYS 23 -3.054 -3.211 -3.211 198 2HG LYS 23 2HG LYS 23 -3.070 -3.000 -3.000 199 1HD LYS 23 1HD LYS 23 -4.989 -4.570 -4.570 200 2HD LYS 23 2HD LYS 23 -4.833 -5.023 -5.023 201 1HE LYS 23 1HE LYS 23 -6.353 -3.319 -3.319 202 2HE LYS 23 2HE LYS 23 -4.981 -2.218 -2.218 203 1HZ LYS 23 1HZ LYS 23 -6.250 -3.111 -3.111 204 2HZ LYS 23 2HZ LYS 23 -7.166 -2.099 -2.099 205 3HZ LYS 23 3HZ LYS 23 -5.658 -1.597 -1.597 206 H GLU 24 H GLU 24 0.622 -5.517 -5.517 207 HA GLU 24 HA GLU 24 1.664 -7.828 -7.828 208 1HB GLU 24 1HB GLU 24 3.967 -7.204 -7.204 209 2HB GLU 24 2HB GLU 24 2.575 -7.591 -7.591 210 1HG GLU 24 1HG GLU 24 2.215 -5.160 -5.160 211 2HG GLU 24 2HG GLU 24 3.477 -4.680 -4.680 212 H LYS 25 H LYS 25 3.725 -8.276 -8.276 213 HA LYS 25 HA LYS 25 4.306 -6.216 -6.216 214 1HB LYS 25 1HB LYS 25 3.188 -9.064 -9.064 215 2HB LYS 25 2HB LYS 25 3.997 -8.165 -8.165 216 1HG LYS 25 1HG LYS 25 2.241 -6.241 -6.241 217 2HG LYS 25 2HG LYS 25 1.393 -7.380 -7.380 218 1HD LYS 25 1HD LYS 25 2.080 -8.307 -8.307 219 2HD LYS 25 2HD LYS 25 0.900 -6.988 -6.988 220 1HE LYS 25 1HE LYS 25 0.351 -9.084 -9.084 221 2HE LYS 25 2HE LYS 25 0.361 -9.794 -9.794 222 1HZ LYS 25 1HZ LYS 25 -1.101 -7.284 -7.284 223 2HZ LYS 25 2HZ LYS 25 -1.796 -8.811 -8.811 224 3HZ LYS 25 3HZ LYS 25 -1.240 -8.251 -8.251 225 HA PRO 26 HA PRO 26 5.321 -6.489 -6.489 226 1HB PRO 26 1HB PRO 26 7.582 -5.024 -5.024 227 2HB PRO 26 2HB PRO 26 7.382 -6.826 -6.826 228 1HG PRO 26 1HG PRO 26 8.628 -5.843 -5.843 229 2HG PRO 26 2HG PRO 26 9.414 -6.731 -6.731 230 1HD PRO 26 1HD PRO 26 8.394 -7.915 -7.915 231 2HD PRO 26 2HD PRO 26 7.944 -8.610 -8.610 232 H LYS 27 H LYS 27 7.406 -5.107 -5.107 233 HA LYS 27 HA LYS 27 5.636 -2.606 -2.606 234 1HB LYS 27 1HB LYS 27 7.888 -2.432 -2.432 235 2HB LYS 27 2HB LYS 27 7.524 -1.398 -1.398 236 1HG LYS 27 1HG LYS 27 8.805 -4.168 -4.168 237 2HG LYS 27 2HG LYS 27 9.804 -2.822 -2.822 238 1HD LYS 27 1HD LYS 27 8.040 -2.164 -2.164 239 2HD LYS 27 2HD LYS 27 9.127 -3.531 -3.531 240 1HE LYS 27 1HE LYS 27 9.848 -0.731 -0.731 241 2HE LYS 27 2HE LYS 27 10.947 -2.106 -2.106 242 1HZ LYS 27 1HZ LYS 27 10.056 -1.005 -1.005 243 2HZ LYS 27 2HZ LYS 27 11.548 -0.738 -0.738 244 3HZ LYS 27 3HZ LYS 27 11.128 -2.284 -2.284 245 H CYS 28 H CYS 28 4.374 -2.031 -2.031 246 HA CYS 28 HA CYS 28 3.607 -3.845 -3.845 247 1HB CYS 28 1HB CYS 28 2.933 -1.605 -1.605 248 2HB CYS 28 2HB CYS 28 2.130 -2.000 -2.000 249 H ALA 29 H ALA 29 3.754 -2.940 -2.940 250 HA ALA 29 HA ALA 29 6.438 -3.469 -3.469 251 1HB ALA 29 1HB ALA 29 4.306 -3.486 -3.486 252 2HB ALA 29 2HB ALA 29 4.159 -1.722 -1.722 253 3HB ALA 29 3HB ALA 29 5.518 -2.417 -2.417 254 H LYS 30 H LYS 30 4.771 -0.459 -0.459 255 HA LYS 30 HA LYS 30 6.946 1.144 1.144 256 1HB LYS 30 1HB LYS 30 4.453 1.793 1.793 257 2HB LYS 30 2HB LYS 30 4.748 2.165 2.165 258 1HG LYS 30 1HG LYS 30 5.513 4.256 4.256 259 2HG LYS 30 2HG LYS 30 6.896 3.459 3.459 260 1HD LYS 30 1HD LYS 30 6.064 4.782 4.782 261 2HD LYS 30 2HD LYS 30 5.251 3.247 3.247 262 1HE LYS 30 1HE LYS 30 3.578 4.635 4.635 263 2HE LYS 30 2HE LYS 30 3.997 5.822 5.822 264 1HZ LYS 30 1HZ LYS 30 3.448 3.912 3.912 265 2HZ LYS 30 2HZ LYS 30 2.623 3.235 3.235 266 3HZ LYS 30 3HZ LYS 30 2.192 4.758 4.758 267 H CYS 31 H CYS 31 6.152 0.607 0.607 268 HA CYS 31 HA CYS 31 8.331 2.390 2.390 269 1HB CYS 31 1HB CYS 31 7.247 -0.119 -0.119 270 2HB CYS 31 2HB CYS 31 8.191 1.167 1.167 271 H LEU 32 H LEU 32 8.162 -0.916 -0.916 272 HA LEU 32 HA LEU 32 10.984 -1.527 -1.527 273 1HB LEU 32 1HB LEU 32 9.165 -3.274 -3.274 274 2HB LEU 32 2HB LEU 32 9.192 -2.722 -2.722 275 HG LEU 32 HG LEU 32 10.386 -4.877 -4.877 276 1HD1 LEU 32 1HD1 LEU 32 11.044 -3.355 -3.355 277 2HD1 LEU 32 2HD1 LEU 32 12.265 -2.569 -2.569 278 3HD1 LEU 32 3HD1 LEU 32 12.439 -4.283 -4.283 279 1HD2 LEU 32 1HD2 LEU 32 12.383 -3.262 -3.262 280 2HD2 LEU 32 2HD2 LEU 32 11.348 -4.609 -4.609 281 3HD2 LEU 32 3HD2 LEU 32 12.662 -4.918 -4.918 282 H LYS 33 H LYS 33 9.440 0.109 0.109 283 HA LYS 33 HA LYS 33 11.860 -0.076 -0.076 284 1HB LYS 33 1HB LYS 33 9.245 1.589 1.589 285 2HB LYS 33 2HB LYS 33 10.527 1.757 1.757 286 1HG LYS 33 1HG LYS 33 8.918 -0.828 -0.828 287 2HG LYS 33 2HG LYS 33 8.769 0.175 0.175 288 1HD LYS 33 1HD LYS 33 11.384 -1.269 -1.269 289 2HD LYS 33 2HD LYS 33 10.087 -2.083 -2.083 290 1HE LYS 33 1HE LYS 33 10.888 -1.153 -1.153 291 2HE LYS 33 2HE LYS 33 10.400 0.443 0.443 292 1HZ LYS 33 1HZ LYS 33 12.620 0.211 0.211 293 2HZ LYS 33 2HZ LYS 33 13.032 -0.837 -0.837 294 3HZ LYS 33 3HZ LYS 33 12.616 0.757 0.757 295 H ASN 34 H ASN 34 10.656 2.041 2.041 296 HA ASN 34 HA ASN 34 12.953 3.977 3.977 297 1HB ASN 34 1HB ASN 34 10.080 4.372 4.372 298 2HB ASN 34 2HB ASN 34 11.278 5.441 5.441 299 1HD2 ASN 34 1HD2 ASN 34 9.789 6.354 6.354 300 2HD2 ASN 34 2HD2 ASN 34 9.006 5.230 5.230 301 H ASN 35 H ASN 35 12.648 1.401 1.401 302 HA ASN 35 HA ASN 35 12.949 0.701 0.701 303 1HB ASN 35 1HB ASN 35 15.262 1.657 1.657 304 2HB ASN 35 2HB ASN 35 15.150 2.834 2.834 305 1HD2 ASN 35 1HD2 ASN 35 15.393 -0.594 -0.594 306 2HD2 ASN 35 2HD2 ASN 35 13.818 0.238 0.238 307 H TRP 36 H TRP 36 11.058 1.358 1.358 308 HA TRP 36 HA TRP 36 11.242 3.948 3.948 309 1HB TRP 36 1HB TRP 36 8.993 2.820 2.820 310 2HB TRP 36 2HB TRP 36 8.557 3.892 3.892 311 HD1 TRP 36 HD1 TRP 36 11.588 5.569 5.569 312 HE1 TRP 36 HE1 TRP 36 11.381 7.529 7.529 313 HE3 TRP 36 HE3 TRP 36 7.251 3.941 3.941 314 HZ2 TRP 36 HZ2 TRP 36 9.386 8.164 8.164 315 HZ3 TRP 36 HZ3 TRP 36 6.221 5.261 5.261 316 HH2 TRP 36 HH2 TRP 36 7.316 7.289 7.289 317 H GLU 37 H GLU 37 9.324 4.001 4.001 318 HA GLU 37 HA GLU 37 9.592 1.375 1.375 319 1HB GLU 37 1HB GLU 37 10.546 3.503 3.503 320 2HB GLU 37 2HB GLU 37 8.975 4.268 4.268 321 1HG GLU 37 1HG GLU 37 9.338 3.623 3.623 322 2HG GLU 37 2HG GLU 37 8.085 2.570 2.570 323 H CYS 38 H CYS 38 7.871 1.059 1.059 324 HA CYS 38 HA CYS 38 5.142 1.571 1.571 325 1HB CYS 38 1HB CYS 38 6.265 -0.092 -0.092 326 2HB CYS 38 2HB CYS 38 6.306 -1.292 -1.292 327 H ARG 39 H ARG 39 4.508 2.129 2.129 328 HA ARG 39 HA ARG 39 4.295 -0.164 -0.164 329 1HB ARG 39 1HB ARG 39 5.328 2.504 2.504 330 2HB ARG 39 2HB ARG 39 3.742 2.608 2.608 331 1HG ARG 39 1HG ARG 39 4.870 0.189 0.189 332 2HG ARG 39 2HG ARG 39 6.239 1.290 1.290 333 1HD ARG 39 1HD ARG 39 3.793 2.648 2.648 334 2HD ARG 39 2HD ARG 39 4.273 1.238 1.238 335 HE ARG 39 HE ARG 39 6.213 2.392 2.392 336 1HH1 ARG 39 1HH1 ARG 39 5.040 3.958 3.958 337 2HH1 ARG 39 2HH1 ARG 39 6.280 5.318 5.318 338 1HH2 ARG 39 1HH2 ARG 39 7.526 3.892 3.892 339 2HH2 ARG 39 2HH2 ARG 39 7.636 5.286 5.286 340 H TYR 40 H TYR 40 2.494 -1.144 -1.144 341 HA TYR 40 HA TYR 40 -0.032 0.560 0.560 342 1HB TYR 40 1HB TYR 40 -0.397 -2.428 -2.428 343 2HB TYR 40 2HB TYR 40 -1.123 -1.238 -1.238 344 HD1 TYR 40 HD1 TYR 40 2.029 -3.238 -3.238 345 HD2 TYR 40 HD2 TYR 40 -0.549 -1.068 -1.068 346 HE1 TYR 40 HE1 TYR 40 3.119 -4.299 -4.299 347 HE2 TYR 40 HE2 TYR 40 0.567 -2.133 -2.133 348 HH TYR 40 HH TYR 40 2.566 -2.962 -2.962 349 H SER 41 H SER 41 1.862 -0.972 -0.972 350 HA SER 41 HA SER 41 0.054 -2.542 -2.542 351 1HB SER 41 1HB SER 41 1.520 -1.343 -1.343 352 2HB SER 41 2HB SER 41 2.074 -2.721 -2.721 353 HG SER 41 HG SER 41 2.677 0.039 0.039 354 HA PRO 42 HA PRO 42 -1.187 1.561 1.561 355 1HB PRO 42 1HB PRO 42 -1.625 3.669 3.669 356 2HB PRO 42 2HB PRO 42 -0.098 3.444 3.444 357 1HG PRO 42 1HG PRO 42 -0.523 2.442 2.442 358 2HG PRO 42 2HG PRO 42 0.805 3.532 3.532 359 1HD PRO 42 1HD PRO 42 0.967 0.839 0.839 360 2HD PRO 42 2HD PRO 42 1.534 1.501 1.501 361 H LYS 43 H LYS 43 -2.493 2.745 2.745 362 HA LYS 43 HA LYS 43 -5.131 1.440 1.440 363 1HB LYS 43 1HB LYS 43 -4.554 4.431 4.431 364 2HB LYS 43 2HB LYS 43 -6.171 3.929 3.929 365 1HG LYS 43 1HG LYS 43 -6.619 2.908 2.908 366 2HG LYS 43 2HG LYS 43 -4.959 2.357 2.357 367 1HD LYS 43 1HD LYS 43 -4.375 4.847 4.847 368 2HD LYS 43 2HD LYS 43 -6.118 5.179 5.179 369 1HE LYS 43 1HE LYS 43 -4.787 3.054 3.054 370 2HE LYS 43 2HE LYS 43 -5.300 4.659 4.659 371 1HZ LYS 43 1HZ LYS 43 -7.524 3.816 3.816 372 2HZ LYS 43 2HZ LYS 43 -6.917 2.348 2.348 373 3HZ LYS 43 3HZ LYS 43 -7.207 3.601 3.601 Start of MODEL 7 1 1H MET 1 1H MET 1 -15.302 -2.453 -2.453 2 2H MET 1 2H MET 1 -15.301 -3.919 -3.919 3 3H MET 1 3H MET 1 -14.711 -3.838 -3.838 4 HA MET 1 HA MET 1 -16.868 -3.270 -3.270 5 1HB MET 1 1HB MET 1 -16.606 -5.819 -5.819 6 2HB MET 1 2HB MET 1 -18.008 -5.534 -5.534 7 1HG MET 1 1HG MET 1 -16.850 -5.943 -5.943 8 2HG MET 1 2HG MET 1 -15.319 -5.304 -5.304 9 1HE MET 1 1HE MET 1 -14.982 -7.490 -7.490 10 2HE MET 1 2HE MET 1 -13.600 -7.243 -7.243 11 3HE MET 1 3HE MET 1 -14.246 -8.891 -8.891 12 H LYS 2 H LYS 2 -17.133 -1.341 -1.341 13 HA LYS 2 HA LYS 2 -19.571 -0.906 -0.906 14 1HB LYS 2 1HB LYS 2 -18.082 -2.764 -2.764 15 2HB LYS 2 2HB LYS 2 -18.535 -1.285 -1.285 16 1HG LYS 2 1HG LYS 2 -20.965 -1.629 -1.629 17 2HG LYS 2 2HG LYS 2 -20.502 -3.084 -3.084 18 1HD LYS 2 1HD LYS 2 -20.948 -4.231 -4.231 19 2HD LYS 2 2HD LYS 2 -19.524 -3.475 -3.475 20 1HE LYS 2 1HE LYS 2 -21.185 -1.344 -1.344 21 2HE LYS 2 2HE LYS 2 -22.461 -2.564 -2.564 22 1HZ LYS 2 1HZ LYS 2 -20.176 -3.116 -3.116 23 2HZ LYS 2 2HZ LYS 2 -21.377 -2.056 -2.056 24 3HZ LYS 2 3HZ LYS 2 -21.770 -3.641 -3.641 25 H LEU 3 H LEU 3 -16.143 -0.762 -0.762 26 HA LEU 3 HA LEU 3 -16.347 2.196 2.196 27 1HB LEU 3 1HB LEU 3 -13.674 0.872 0.872 28 2HB LEU 3 2HB LEU 3 -14.097 2.060 2.060 29 HG LEU 3 HG LEU 3 -15.057 -0.842 -0.842 30 1HD1 LEU 3 1HD1 LEU 3 -12.428 -0.492 -0.492 31 2HD1 LEU 3 2HD1 LEU 3 -12.477 0.126 0.126 32 3HD1 LEU 3 3HD1 LEU 3 -13.006 -1.540 -1.540 33 1HD2 LEU 3 1HD2 LEU 3 -15.974 1.083 1.083 34 2HD2 LEU 3 2HD2 LEU 3 -15.337 -0.383 -0.383 35 3HD2 LEU 3 3HD2 LEU 3 -14.348 1.081 1.081 36 H LEU 4 H LEU 4 -13.839 2.825 2.825 37 HA LEU 4 HA LEU 4 -14.924 3.008 3.008 38 1HB LEU 4 1HB LEU 4 -13.707 4.943 4.943 39 2HB LEU 4 2HB LEU 4 -12.287 4.305 4.305 40 HG LEU 4 HG LEU 4 -13.200 6.338 6.338 41 1HD1 LEU 4 1HD1 LEU 4 -11.931 4.495 4.495 42 2HD1 LEU 4 2HD1 LEU 4 -13.502 3.890 3.890 43 3HD1 LEU 4 3HD1 LEU 4 -12.958 5.531 5.531 44 1HD2 LEU 4 1HD2 LEU 4 -15.745 5.541 5.541 45 2HD2 LEU 4 2HD2 LEU 4 -15.364 6.513 6.513 46 3HD2 LEU 4 3HD2 LEU 4 -15.568 4.748 4.748 47 H SER 5 H SER 5 -14.513 1.580 1.580 48 HA SER 5 HA SER 5 -11.665 0.497 0.497 49 1HB SER 5 1HB SER 5 -13.076 -1.223 -1.223 50 2HB SER 5 2HB SER 5 -14.190 -1.295 -1.295 51 HG SER 5 HG SER 5 -12.607 -2.212 -2.212 52 H SER 6 H SER 6 -14.712 -0.083 -0.083 53 HA SER 6 HA SER 6 -15.229 0.301 0.301 54 1HB SER 6 1HB SER 6 -13.173 2.391 2.391 55 2HB SER 6 2HB SER 6 -13.201 1.960 1.960 56 HG SER 6 HG SER 6 -15.642 2.441 2.441 57 H ILE 7 H ILE 7 -13.399 0.735 0.735 58 HA ILE 7 HA ILE 7 -11.756 -1.839 -1.839 59 HB ILE 7 HB ILE 7 -13.798 -1.088 -1.088 60 1HG1 ILE 7 1HG1 ILE 7 -13.733 -3.234 -3.234 61 2HG1 ILE 7 2HG1 ILE 7 -14.433 -3.315 -3.315 62 1HG2 ILE 7 1HG2 ILE 7 -11.024 -2.068 -2.068 63 2HG2 ILE 7 2HG2 ILE 7 -12.423 -2.671 -2.671 64 3HG2 ILE 7 3HG2 ILE 7 -12.122 -0.917 -0.917 65 1HD1 ILE 7 1HD1 ILE 7 -11.500 -4.055 -4.055 66 2HD1 ILE 7 2HD1 ILE 7 -12.676 -5.212 -5.212 67 3HD1 ILE 7 3HD1 ILE 7 -12.814 -4.694 -4.694 68 H GLU 8 H GLU 8 -10.065 -0.459 -0.459 69 HA GLU 8 HA GLU 8 -8.312 -0.006 -0.006 70 1HB GLU 8 1HB GLU 8 -10.078 2.210 2.210 71 2HB GLU 8 2HB GLU 8 -8.444 2.683 2.683 72 1HG GLU 8 1HG GLU 8 -8.588 1.567 1.567 73 2HG GLU 8 2HG GLU 8 -9.739 2.862 2.862 74 H GLN 9 H GLN 9 -7.986 -1.485 -1.485 75 HA GLN 9 HA GLN 9 -6.144 -0.152 -0.152 76 1HB GLN 9 1HB GLN 9 -6.295 -2.262 -2.262 77 2HB GLN 9 2HB GLN 9 -6.916 -2.904 -2.904 78 1HG GLN 9 1HG GLN 9 -4.534 -3.247 -3.247 79 2HG GLN 9 2HG GLN 9 -3.890 -2.529 -2.529 80 1HE2 GLN 9 1HE2 GLN 9 -4.300 -5.660 -5.660 81 2HE2 GLN 9 2HE2 GLN 9 -4.180 -3.827 -3.827 82 H ALA 10 H ALA 10 -4.259 0.679 0.679 83 HA ALA 10 HA ALA 10 -2.553 -0.074 -0.074 84 1HB ALA 10 1HB ALA 10 -4.203 1.496 1.496 85 2HB ALA 10 2HB ALA 10 -3.857 2.743 2.743 86 3HB ALA 10 3HB ALA 10 -2.605 2.266 2.266 87 H CYS 11 H CYS 11 -0.511 0.990 0.990 88 HA CYS 11 HA CYS 11 0.399 0.977 0.977 89 1HB CYS 11 1HB CYS 11 2.690 0.999 0.999 90 2HB CYS 11 2HB CYS 11 1.641 -0.194 -0.194 91 H ASP 12 H ASP 12 2.247 2.577 2.577 92 HA ASP 12 HA ASP 12 0.890 5.118 5.118 93 1HB ASP 12 1HB ASP 12 2.687 4.426 4.426 94 2HB ASP 12 2HB ASP 12 3.859 4.309 4.309 95 H ILE 13 H ILE 13 3.074 3.982 3.982 96 HA ILE 13 HA ILE 13 3.608 6.725 6.725 97 HB ILE 13 HB ILE 13 4.198 3.845 3.845 98 1HG1 ILE 13 1HG1 ILE 13 5.854 4.544 4.544 99 2HG1 ILE 13 2HG1 ILE 13 6.634 4.614 4.614 100 1HG2 ILE 13 1HG2 ILE 13 3.689 5.259 5.259 101 2HG2 ILE 13 2HG2 ILE 13 5.032 6.301 6.301 102 3HG2 ILE 13 3HG2 ILE 13 5.331 4.581 4.581 103 1HD1 ILE 13 1HD1 ILE 13 5.415 7.232 7.232 104 2HD1 ILE 13 2HD1 ILE 13 6.898 6.686 6.686 105 3HD1 ILE 13 3HD1 ILE 13 6.890 6.904 6.904 106 H CYS 14 H CYS 14 1.251 4.308 4.308 107 HA CYS 14 HA CYS 14 0.475 5.673 5.673 108 1HB CYS 14 1HB CYS 14 -0.576 3.225 3.225 109 2HB CYS 14 2HB CYS 14 -1.598 3.981 3.981 110 H ARG 15 H ARG 15 -0.770 5.481 5.481 111 HA ARG 15 HA ARG 15 -2.854 7.391 7.391 112 1HB ARG 15 1HB ARG 15 -2.831 7.158 7.158 113 2HB ARG 15 2HB ARG 15 -1.389 6.176 6.176 114 1HG ARG 15 1HG ARG 15 -0.007 8.440 8.440 115 2HG ARG 15 2HG ARG 15 -1.529 9.217 9.217 116 1HD ARG 15 1HD ARG 15 -0.537 6.717 6.717 117 2HD ARG 15 2HD ARG 15 0.033 8.352 8.352 118 HE ARG 15 HE ARG 15 -2.428 9.005 9.005 119 1HH1 ARG 15 1HH1 ARG 15 -1.574 5.648 5.648 120 2HH1 ARG 15 2HH1 ARG 15 -3.052 5.260 5.260 121 1HH2 ARG 15 1HH2 ARG 15 -4.005 8.510 8.510 122 2HH2 ARG 15 2HH2 ARG 15 -4.377 6.812 6.812 123 H LEU 16 H LEU 16 0.585 8.125 8.125 124 HA LEU 16 HA LEU 16 0.080 11.021 11.021 125 1HB LEU 16 1HB LEU 16 2.639 11.180 11.180 126 2HB LEU 16 2HB LEU 16 2.046 10.202 10.202 127 HG LEU 16 HG LEU 16 2.434 8.190 8.190 128 1HD1 LEU 16 1HD1 LEU 16 3.247 9.740 9.740 129 2HD1 LEU 16 2HD1 LEU 16 4.529 10.361 10.361 130 3HD1 LEU 16 3HD1 LEU 16 4.562 8.669 8.669 131 1HD2 LEU 16 1HD2 LEU 16 4.593 9.506 9.506 132 2HD2 LEU 16 2HD2 LEU 16 3.452 8.218 8.218 133 3HD2 LEU 16 3HD2 LEU 16 4.735 7.872 7.872 134 H LYS 17 H LYS 17 1.425 8.948 8.948 135 HA LYS 17 HA LYS 17 1.790 11.288 11.288 136 1HB LYS 17 1HB LYS 17 2.179 8.233 8.233 137 2HB LYS 17 2HB LYS 17 2.325 9.275 9.275 138 1HG LYS 17 1HG LYS 17 3.938 10.025 10.025 139 2HG LYS 17 2HG LYS 17 4.462 8.622 8.622 140 1HD LYS 17 1HD LYS 17 3.949 10.862 10.862 141 2HD LYS 17 2HD LYS 17 4.911 11.456 11.456 142 1HE LYS 17 1HE LYS 17 5.663 8.794 8.794 143 2HE LYS 17 2HE LYS 17 6.215 10.331 10.331 144 1HZ LYS 17 1HZ LYS 17 6.988 10.865 10.865 145 2HZ LYS 17 2HZ LYS 17 6.795 9.228 9.228 146 3HZ LYS 17 3HZ LYS 17 7.866 9.724 9.724 147 H LYS 18 H LYS 18 -0.687 9.110 9.110 148 HA LYS 18 HA LYS 18 -2.712 8.520 8.520 149 1HB LYS 18 1HB LYS 18 -2.312 11.284 11.284 150 2HB LYS 18 2HB LYS 18 -3.725 10.263 10.263 151 1HG LYS 18 1HG LYS 18 -3.961 10.246 10.246 152 2HG LYS 18 2HG LYS 18 -2.741 11.517 11.517 153 1HD LYS 18 1HD LYS 18 -4.700 12.475 12.475 154 2HD LYS 18 2HD LYS 18 -5.664 11.584 11.584 155 1HE LYS 18 1HE LYS 18 -5.059 12.987 12.987 156 2HE LYS 18 2HE LYS 18 -3.443 13.323 13.323 157 1HZ LYS 18 1HZ LYS 18 -4.651 14.567 14.567 158 2HZ LYS 18 2HZ LYS 18 -6.015 14.502 14.502 159 3HZ LYS 18 3HZ LYS 18 -4.625 15.275 15.275 160 H LEU 19 H LEU 19 -1.506 6.858 6.858 161 HA LEU 19 HA LEU 19 -0.916 6.878 6.878 162 1HB LEU 19 1HB LEU 19 0.703 5.840 5.840 163 2HB LEU 19 2HB LEU 19 0.729 4.853 4.853 164 HG LEU 19 HG LEU 19 2.171 6.243 6.243 165 1HD1 LEU 19 1HD1 LEU 19 0.338 8.271 8.271 166 2HD1 LEU 19 2HD1 LEU 19 1.649 8.866 8.866 167 3HD1 LEU 19 3HD1 LEU 19 1.964 8.547 8.547 168 1HD2 LEU 19 1HD2 LEU 19 2.634 6.932 6.932 169 2HD2 LEU 19 2HD2 LEU 19 3.519 5.776 5.776 170 3HD2 LEU 19 3HD2 LEU 19 3.731 7.529 7.529 171 H LYS 20 H LYS 20 -0.587 4.559 4.559 172 HA LYS 20 HA LYS 20 -3.037 2.994 2.994 173 1HB LYS 20 1HB LYS 20 -1.146 1.742 1.742 174 2HB LYS 20 2HB LYS 20 -2.889 1.945 1.945 175 1HG LYS 20 1HG LYS 20 -2.657 4.307 4.307 176 2HG LYS 20 2HG LYS 20 -0.942 4.330 4.330 177 1HD LYS 20 1HD LYS 20 -2.390 2.950 2.950 178 2HD LYS 20 2HD LYS 20 -1.119 4.188 4.188 179 1HE LYS 20 1HE LYS 20 0.596 2.635 2.635 180 2HE LYS 20 2HE LYS 20 -0.191 1.779 1.779 181 1HZ LYS 20 1HZ LYS 20 -1.291 1.545 1.545 182 2HZ LYS 20 2HZ LYS 20 0.033 0.620 0.620 183 3HZ LYS 20 3HZ LYS 20 -1.424 0.483 0.483 184 H CYS 21 H CYS 21 -3.078 1.045 1.045 185 HA CYS 21 HA CYS 21 -0.385 0.061 0.061 186 1HB CYS 21 1HB CYS 21 -1.531 1.748 1.748 187 2HB CYS 21 2HB CYS 21 -2.861 0.598 0.598 188 H SER 22 H SER 22 -0.888 -1.522 -1.522 189 HA SER 22 HA SER 22 -2.648 -3.691 -3.691 190 1HB SER 22 1HB SER 22 -0.454 -5.200 -5.200 191 2HB SER 22 2HB SER 22 -0.972 -4.107 -4.107 192 HG SER 22 HG SER 22 1.194 -3.913 -3.913 193 H LYS 23 H LYS 23 -0.521 -2.733 -2.733 194 HA LYS 23 HA LYS 23 -0.581 -3.401 -3.401 195 1HB LYS 23 1HB LYS 23 -2.805 -5.320 -5.320 196 2HB LYS 23 2HB LYS 23 -2.381 -5.158 -5.158 197 1HG LYS 23 1HG LYS 23 -3.484 -3.099 -3.099 198 2HG LYS 23 2HG LYS 23 -2.893 -2.510 -2.510 199 1HD LYS 23 1HD LYS 23 -4.699 -3.893 -3.893 200 2HD LYS 23 2HD LYS 23 -5.230 -4.487 -4.487 201 1HE LYS 23 1HE LYS 23 -6.633 -2.628 -2.628 202 2HE LYS 23 2HE LYS 23 -5.188 -1.732 -1.732 203 1HZ LYS 23 1HZ LYS 23 -5.534 -2.212 -2.212 204 2HZ LYS 23 2HZ LYS 23 -6.544 -1.086 -1.086 205 3HZ LYS 23 3HZ LYS 23 -4.876 -0.891 -0.891 206 H GLU 24 H GLU 24 0.499 -5.380 -5.380 207 HA GLU 24 HA GLU 24 1.383 -7.721 -7.721 208 1HB GLU 24 1HB GLU 24 3.733 -7.106 -7.106 209 2HB GLU 24 2HB GLU 24 2.340 -7.604 -7.604 210 1HG GLU 24 1HG GLU 24 1.974 -4.811 -4.811 211 2HG GLU 24 2HG GLU 24 3.716 -4.913 -4.913 212 H LYS 25 H LYS 25 3.361 -8.278 -8.278 213 HA LYS 25 HA LYS 25 4.001 -6.235 -6.235 214 1HB LYS 25 1HB LYS 25 2.756 -9.031 -9.031 215 2HB LYS 25 2HB LYS 25 3.476 -8.074 -8.074 216 1HG LYS 25 1HG LYS 25 1.777 -6.169 -6.169 217 2HG LYS 25 2HG LYS 25 1.005 -7.329 -7.329 218 1HD LYS 25 1HD LYS 25 0.287 -8.689 -8.689 219 2HD LYS 25 2HD LYS 25 1.439 -7.915 -7.915 220 1HE LYS 25 1HE LYS 25 0.244 -5.687 -5.687 221 2HE LYS 25 2HE LYS 25 -0.923 -6.428 -6.428 222 1HZ LYS 25 1HZ LYS 25 -0.467 -7.545 -7.545 223 2HZ LYS 25 2HZ LYS 25 -1.555 -6.293 -6.293 224 3HZ LYS 25 3HZ LYS 25 -1.776 -7.782 -7.782 225 HA PRO 26 HA PRO 26 4.912 -6.518 -6.518 226 1HB PRO 26 1HB PRO 26 7.234 -5.178 -5.178 227 2HB PRO 26 2HB PRO 26 6.905 -6.949 -6.949 228 1HG PRO 26 1HG PRO 26 8.306 -6.112 -6.112 229 2HG PRO 26 2HG PRO 26 8.983 -7.006 -7.006 230 1HD PRO 26 1HD PRO 26 7.977 -8.187 -8.187 231 2HD PRO 26 2HD PRO 26 7.426 -8.809 -8.809 232 H LYS 27 H LYS 27 7.181 -5.329 -5.329 233 HA LYS 27 HA LYS 27 5.580 -2.725 -2.725 234 1HB LYS 27 1HB LYS 27 7.804 -2.437 -2.437 235 2HB LYS 27 2HB LYS 27 7.648 -1.738 -1.738 236 1HG LYS 27 1HG LYS 27 8.746 -3.776 -3.776 237 2HG LYS 27 2HG LYS 27 8.781 -4.575 -4.575 238 1HD LYS 27 1HD LYS 27 10.834 -3.641 -3.641 239 2HD LYS 27 2HD LYS 27 10.124 -2.016 -2.016 240 1HE LYS 27 1HE LYS 27 11.673 -1.940 -1.940 241 2HE LYS 27 2HE LYS 27 10.144 -2.296 -2.296 242 1HZ LYS 27 1HZ LYS 27 11.855 -4.504 -4.504 243 2HZ LYS 27 2HZ LYS 27 12.154 -3.759 -3.759 244 3HZ LYS 27 3HZ LYS 27 10.682 -4.524 -4.524 245 H CYS 28 H CYS 28 4.413 -2.111 -2.111 246 HA CYS 28 HA CYS 28 3.689 -3.954 -3.954 247 1HB CYS 28 1HB CYS 28 3.083 -1.697 -1.697 248 2HB CYS 28 2HB CYS 28 2.181 -2.160 -2.160 249 H ALA 29 H ALA 29 3.929 -3.093 -3.093 250 HA ALA 29 HA ALA 29 6.748 -3.441 -3.441 251 1HB ALA 29 1HB ALA 29 4.730 -3.920 -3.920 252 2HB ALA 29 2HB ALA 29 4.319 -2.188 -2.188 253 3HB ALA 29 3HB ALA 29 5.818 -2.760 -2.760 254 H LYS 30 H LYS 30 4.600 -0.702 -0.702 255 HA LYS 30 HA LYS 30 6.198 1.486 1.486 256 1HB LYS 30 1HB LYS 30 3.851 1.122 1.122 257 2HB LYS 30 2HB LYS 30 4.924 1.662 1.662 258 1HG LYS 30 1HG LYS 30 3.486 3.305 3.305 259 2HG LYS 30 2HG LYS 30 4.614 3.845 3.845 260 1HD LYS 30 1HD LYS 30 6.362 4.125 4.125 261 2HD LYS 30 2HD LYS 30 5.747 2.860 2.860 262 1HE LYS 30 1HE LYS 30 4.796 4.555 4.555 263 2HE LYS 30 2HE LYS 30 3.581 4.705 4.705 264 1HZ LYS 30 1HZ LYS 30 5.238 6.190 6.190 265 2HZ LYS 30 2HZ LYS 30 6.111 6.226 6.226 266 3HZ LYS 30 3HZ LYS 30 4.534 6.809 6.809 267 H CYS 31 H CYS 31 6.109 0.497 0.497 268 HA CYS 31 HA CYS 31 8.302 2.293 2.293 269 1HB CYS 31 1HB CYS 31 7.308 -0.194 -0.194 270 2HB CYS 31 2HB CYS 31 8.334 1.073 1.073 271 H LEU 32 H LEU 32 8.268 -1.082 -1.082 272 HA LEU 32 HA LEU 32 11.106 -1.520 -1.520 273 1HB LEU 32 1HB LEU 32 9.493 -3.432 -3.432 274 2HB LEU 32 2HB LEU 32 9.262 -2.952 -2.952 275 HG LEU 32 HG LEU 32 10.814 -5.017 -5.017 276 1HD1 LEU 32 1HD1 LEU 32 10.300 -4.273 -4.273 277 2HD1 LEU 32 2HD1 LEU 32 11.579 -3.036 -3.036 278 3HD1 LEU 32 3HD1 LEU 32 11.997 -4.765 -4.765 279 1HD2 LEU 32 1HD2 LEU 32 12.840 -2.671 -2.671 280 2HD2 LEU 32 2HD2 LEU 32 12.460 -3.807 -3.807 281 3HD2 LEU 32 3HD2 LEU 32 13.277 -4.396 -4.396 282 H LYS 33 H LYS 33 9.500 -0.170 -0.170 283 HA LYS 33 HA LYS 33 11.967 -0.341 -0.341 284 1HB LYS 33 1HB LYS 33 9.214 1.036 1.036 285 2HB LYS 33 2HB LYS 33 10.529 1.311 1.311 286 1HG LYS 33 1HG LYS 33 9.152 -1.386 -1.386 287 2HG LYS 33 2HG LYS 33 9.176 -0.525 -0.525 288 1HD LYS 33 1HD LYS 33 11.830 -0.930 -0.930 289 2HD LYS 33 2HD LYS 33 11.362 -2.155 -2.155 290 1HE LYS 33 1HE LYS 33 9.580 -2.933 -2.933 291 2HE LYS 33 2HE LYS 33 10.648 -2.074 -2.074 292 1HZ LYS 33 1HZ LYS 33 11.864 -3.903 -3.903 293 2HZ LYS 33 2HZ LYS 33 11.098 -4.541 -4.541 294 3HZ LYS 33 3HZ LYS 33 12.386 -3.475 -3.475 295 H ASN 34 H ASN 34 10.527 1.921 1.921 296 HA ASN 34 HA ASN 34 12.663 3.977 3.977 297 1HB ASN 34 1HB ASN 34 9.893 4.145 4.145 298 2HB ASN 34 2HB ASN 34 11.037 5.444 5.444 299 1HD2 ASN 34 1HD2 ASN 34 8.880 5.323 5.323 300 2HD2 ASN 34 2HD2 ASN 34 8.842 3.899 3.899 301 H ASN 35 H ASN 35 12.536 1.451 1.451 302 HA ASN 35 HA ASN 35 13.110 0.969 0.969 303 1HB ASN 35 1HB ASN 35 15.342 1.589 1.589 304 2HB ASN 35 2HB ASN 35 15.070 3.284 3.284 305 1HD2 ASN 35 1HD2 ASN 35 15.498 1.720 1.720 306 2HD2 ASN 35 2HD2 ASN 35 13.989 1.348 1.348 307 H TRP 36 H TRP 36 11.146 1.519 1.519 308 HA TRP 36 HA TRP 36 11.156 4.156 4.156 309 1HB TRP 36 1HB TRP 36 8.928 2.799 2.799 310 2HB TRP 36 2HB TRP 36 8.500 3.946 3.946 311 HD1 TRP 36 HD1 TRP 36 11.387 5.722 5.722 312 HE1 TRP 36 HE1 TRP 36 11.033 7.542 7.542 313 HE3 TRP 36 HE3 TRP 36 7.086 3.740 3.740 314 HZ2 TRP 36 HZ2 TRP 36 9.002 7.913 7.913 315 HZ3 TRP 36 HZ3 TRP 36 6.066 4.771 4.771 316 HH2 TRP 36 HH2 TRP 36 6.969 6.854 6.854 317 H GLU 37 H GLU 37 9.275 4.071 4.071 318 HA GLU 37 HA GLU 37 9.780 1.465 1.465 319 1HB GLU 37 1HB GLU 37 10.472 3.926 3.926 320 2HB GLU 37 2HB GLU 37 8.782 4.116 4.116 321 1HG GLU 37 1HG GLU 37 10.542 3.315 3.315 322 2HG GLU 37 2HG GLU 37 8.907 2.705 2.705 323 H CYS 38 H CYS 38 8.039 0.950 0.950 324 HA CYS 38 HA CYS 38 5.291 1.396 1.396 325 1HB CYS 38 1HB CYS 38 6.481 -0.301 -0.301 326 2HB CYS 38 2HB CYS 38 6.449 -1.473 -1.473 327 H ARG 39 H ARG 39 4.745 1.947 1.947 328 HA ARG 39 HA ARG 39 4.449 -0.479 -0.479 329 1HB ARG 39 1HB ARG 39 5.364 2.341 2.341 330 2HB ARG 39 2HB ARG 39 4.140 1.798 1.798 331 1HG ARG 39 1HG ARG 39 6.114 -0.375 -0.375 332 2HG ARG 39 2HG ARG 39 7.005 1.133 1.133 333 1HD ARG 39 1HD ARG 39 6.104 1.550 1.550 334 2HD ARG 39 2HD ARG 39 4.653 0.556 0.556 335 HE ARG 39 HE ARG 39 7.439 -0.453 -0.453 336 1HH1 ARG 39 1HH1 ARG 39 4.125 -1.262 -1.262 337 2HH1 ARG 39 2HH1 ARG 39 4.341 -2.985 -2.985 338 1HH2 ARG 39 1HH2 ARG 39 7.596 -2.329 -2.329 339 2HH2 ARG 39 2HH2 ARG 39 6.227 -3.572 -3.572 340 H TYR 40 H TYR 40 2.597 -1.234 -1.234 341 HA TYR 40 HA TYR 40 0.213 0.508 0.508 342 1HB TYR 40 1HB TYR 40 0.193 -2.546 -2.546 343 2HB TYR 40 2HB TYR 40 -1.080 -1.628 -1.628 344 HD1 TYR 40 HD1 TYR 40 -1.008 -0.949 -0.949 345 HD2 TYR 40 HD2 TYR 40 2.077 -3.386 -3.386 346 HE1 TYR 40 HE1 TYR 40 -0.302 -1.667 -1.667 347 HE2 TYR 40 HE2 TYR 40 2.566 -4.327 -4.327 348 HH TYR 40 HH TYR 40 0.906 -3.902 -3.902 349 H SER 41 H SER 41 1.693 -1.273 -1.273 350 HA SER 41 HA SER 41 1.248 -1.194 -1.194 351 1HB SER 41 1HB SER 41 0.467 1.467 1.467 352 2HB SER 41 2HB SER 41 2.126 0.904 0.904 353 HG SER 41 HG SER 41 0.548 1.777 1.777 354 HA PRO 42 HA PRO 42 -3.175 -2.331 -2.331 355 1HB PRO 42 1HB PRO 42 -1.717 -3.274 -3.274 356 2HB PRO 42 2HB PRO 42 -3.119 -4.095 -4.095 357 1HG PRO 42 1HG PRO 42 -0.436 -4.803 -4.803 358 2HG PRO 42 2HG PRO 42 -1.724 -4.601 -4.601 359 1HD PRO 42 1HD PRO 42 0.551 -2.877 -2.877 360 2HD PRO 42 2HD PRO 42 0.152 -3.200 -3.200 361 H LYS 43 H LYS 43 -1.124 -0.803 -0.803 362 HA LYS 43 HA LYS 43 -3.409 1.108 1.108 363 1HB LYS 43 1HB LYS 43 -3.805 -0.490 -0.490 364 2HB LYS 43 2HB LYS 43 -2.091 -0.617 -0.617 365 1HG LYS 43 1HG LYS 43 -2.049 1.456 1.456 366 2HG LYS 43 2HG LYS 43 -3.323 2.171 2.171 367 1HD LYS 43 1HD LYS 43 -4.292 1.869 1.869 368 2HD LYS 43 2HD LYS 43 -4.932 0.490 0.490 369 1HE LYS 43 1HE LYS 43 -2.865 -0.892 -0.892 370 2HE LYS 43 2HE LYS 43 -2.520 0.436 0.436 371 1HZ LYS 43 1HZ LYS 43 -5.247 -0.693 -0.693 372 2HZ LYS 43 2HZ LYS 43 -4.041 -1.466 -1.466 373 3HZ LYS 43 3HZ LYS 43 -4.482 0.112 0.112 Start of MODEL 8 1 1H MET 1 1H MET 1 4.555 -10.686 -10.686 2 2H MET 1 2H MET 1 5.332 -9.704 -9.704 3 3H MET 1 3H MET 1 5.118 -9.168 -9.168 4 HA MET 1 HA MET 1 2.996 -8.606 -8.606 5 1HB MET 1 1HB MET 1 4.592 -7.581 -7.581 6 2HB MET 1 2HB MET 1 3.720 -8.647 -8.647 7 1HG MET 1 1HG MET 1 1.560 -7.378 -7.378 8 2HG MET 1 2HG MET 1 2.798 -6.107 -6.107 9 1HE MET 1 1HE MET 1 0.936 -5.084 -5.084 10 2HE MET 1 2HE MET 1 1.270 -4.560 -4.560 11 3HE MET 1 3HE MET 1 0.009 -5.791 -5.791 12 H LYS 2 H LYS 2 1.088 -9.335 -9.335 13 HA LYS 2 HA LYS 2 0.614 -11.908 -11.908 14 1HB LYS 2 1HB LYS 2 -1.328 -12.125 -12.125 15 2HB LYS 2 2HB LYS 2 0.318 -12.628 -12.628 16 1HG LYS 2 1HG LYS 2 0.717 -10.244 -10.244 17 2HG LYS 2 2HG LYS 2 -1.002 -9.934 -9.934 18 1HD LYS 2 1HD LYS 2 -1.247 -12.205 -12.205 19 2HD LYS 2 2HD LYS 2 0.432 -11.858 -11.858 20 1HE LYS 2 1HE LYS 2 -1.426 -9.456 -9.456 21 2HE LYS 2 2HE LYS 2 -1.779 -10.706 -10.706 22 1HZ LYS 2 1HZ LYS 2 0.900 -9.491 -9.491 23 2HZ LYS 2 2HZ LYS 2 -0.148 -9.138 -9.138 24 3HZ LYS 2 3HZ LYS 2 0.538 -10.669 -10.669 25 H LEU 3 H LEU 3 -1.971 -12.215 -12.215 26 HA LEU 3 HA LEU 3 -4.124 -11.344 -11.344 27 1HB LEU 3 1HB LEU 3 -2.820 -8.638 -8.638 28 2HB LEU 3 2HB LEU 3 -4.522 -9.017 -9.017 29 HG LEU 3 HG LEU 3 -3.471 -9.467 -9.467 30 1HD1 LEU 3 1HD1 LEU 3 -2.857 -6.880 -6.880 31 2HD1 LEU 3 2HD1 LEU 3 -3.591 -6.707 -6.707 32 3HD1 LEU 3 3HD1 LEU 3 -2.064 -7.605 -7.605 33 1HD2 LEU 3 1HD2 LEU 3 -5.813 -7.831 -7.831 34 2HD2 LEU 3 2HD2 LEU 3 -5.899 -9.401 -9.401 35 3HD2 LEU 3 3HD2 LEU 3 -5.485 -7.945 -7.945 36 H LEU 4 H LEU 4 -1.795 -9.842 -9.842 37 HA LEU 4 HA LEU 4 -1.618 -10.089 -10.089 38 1HB LEU 4 1HB LEU 4 -0.988 -12.376 -12.376 39 2HB LEU 4 2HB LEU 4 -2.587 -12.858 -12.858 40 HG LEU 4 HG LEU 4 -2.228 -12.015 -12.015 41 1HD1 LEU 4 1HD1 LEU 4 -0.297 -13.553 -13.553 42 2HD1 LEU 4 2HD1 LEU 4 -1.410 -14.779 -14.779 43 3HD1 LEU 4 3HD1 LEU 4 -1.483 -14.330 -14.330 44 1HD2 LEU 4 1HD2 LEU 4 -4.517 -12.769 -12.769 45 2HD2 LEU 4 2HD2 LEU 4 -4.119 -13.438 -13.438 46 3HD2 LEU 4 3HD2 LEU 4 -3.852 -14.401 -14.401 47 H SER 5 H SER 5 -4.255 -9.343 -9.343 48 HA SER 5 HA SER 5 -6.484 -8.868 -8.868 49 1HB SER 5 1HB SER 5 -4.397 -7.344 -7.344 50 2HB SER 5 2HB SER 5 -6.097 -7.011 -7.011 51 HG SER 5 HG SER 5 -5.653 -7.055 -7.055 52 H SER 6 H SER 6 -5.050 -8.624 -8.624 53 HA SER 6 HA SER 6 -5.801 -9.548 -9.548 54 1HB SER 6 1HB SER 6 -7.310 -11.488 -11.488 55 2HB SER 6 2HB SER 6 -7.601 -11.509 -11.509 56 HG SER 6 HG SER 6 -5.052 -11.549 -11.549 57 H ILE 7 H ILE 7 -6.502 -7.391 -7.391 58 HA ILE 7 HA ILE 7 -9.268 -7.354 -7.354 59 HB ILE 7 HB ILE 7 -10.579 -6.399 -6.399 60 1HG1 ILE 7 1HG1 ILE 7 -9.222 -4.135 -4.135 61 2HG1 ILE 7 2HG1 ILE 7 -10.332 -4.430 -4.430 62 1HG2 ILE 7 1HG2 ILE 7 -8.288 -7.492 -7.492 63 2HG2 ILE 7 2HG2 ILE 7 -9.633 -6.624 -6.624 64 3HG2 ILE 7 3HG2 ILE 7 -9.918 -8.093 -8.093 65 1HD1 ILE 7 1HD1 ILE 7 -8.370 -5.208 -5.208 66 2HD1 ILE 7 2HD1 ILE 7 -7.277 -4.588 -4.588 67 3HD1 ILE 7 3HD1 ILE 7 -8.389 -3.484 -3.484 68 H GLU 8 H GLU 8 -9.233 -5.822 -5.822 69 HA GLU 8 HA GLU 8 -6.914 -4.738 -4.738 70 1HB GLU 8 1HB GLU 8 -8.665 -2.722 -2.722 71 2HB GLU 8 2HB GLU 8 -8.538 -4.290 -4.290 72 1HG GLU 8 1HG GLU 8 -10.468 -4.404 -4.404 73 2HG GLU 8 2HG GLU 8 -10.885 -3.097 -3.097 74 H GLN 9 H GLN 9 -5.600 -4.119 -4.119 75 HA GLN 9 HA GLN 9 -5.969 -1.374 -1.374 76 1HB GLN 9 1HB GLN 9 -3.342 -1.791 -1.791 77 2HB GLN 9 2HB GLN 9 -4.586 -2.542 -2.542 78 1HG GLN 9 1HG GLN 9 -3.927 -4.318 -4.318 79 2HG GLN 9 2HG GLN 9 -2.463 -3.858 -3.858 80 1HE2 GLN 9 1HE2 GLN 9 -4.747 -5.738 -5.738 81 2HE2 GLN 9 2HE2 GLN 9 -5.106 -4.020 -4.020 82 H ALA 10 H ALA 10 -3.685 -0.116 -0.116 83 HA ALA 10 HA ALA 10 -2.590 -0.249 -0.249 84 1HB ALA 10 1HB ALA 10 -4.716 0.961 0.961 85 2HB ALA 10 2HB ALA 10 -4.362 2.206 2.206 86 3HB ALA 10 3HB ALA 10 -3.346 2.063 2.063 87 H CYS 11 H CYS 11 -0.527 0.749 0.749 88 HA CYS 11 HA CYS 11 0.477 1.154 1.154 89 1HB CYS 11 1HB CYS 11 2.714 1.164 1.164 90 2HB CYS 11 2HB CYS 11 1.731 -0.132 -0.132 91 H ASP 12 H ASP 12 2.169 2.851 2.851 92 HA ASP 12 HA ASP 12 0.670 5.370 5.370 93 1HB ASP 12 1HB ASP 12 2.231 4.865 4.865 94 2HB ASP 12 2HB ASP 12 3.571 4.635 4.635 95 H ILE 13 H ILE 13 2.999 4.061 4.061 96 HA ILE 13 HA ILE 13 3.826 6.715 6.715 97 HB ILE 13 HB ILE 13 4.341 3.806 3.806 98 1HG1 ILE 13 1HG1 ILE 13 6.042 4.531 4.531 99 2HG1 ILE 13 2HG1 ILE 13 6.801 4.750 4.750 100 1HG2 ILE 13 1HG2 ILE 13 3.888 5.117 5.117 101 2HG2 ILE 13 2HG2 ILE 13 5.389 6.006 6.006 102 3HG2 ILE 13 3HG2 ILE 13 5.395 4.245 4.245 103 1HD1 ILE 13 1HD1 ILE 13 6.246 7.197 7.197 104 2HD1 ILE 13 2HD1 ILE 13 5.552 7.046 7.046 105 3HD1 ILE 13 3HD1 ILE 13 7.291 6.758 6.758 106 H CYS 14 H CYS 14 1.460 4.340 4.340 107 HA CYS 14 HA CYS 14 0.674 5.860 5.860 108 1HB CYS 14 1HB CYS 14 -0.672 3.459 3.459 109 2HB CYS 14 2HB CYS 14 -1.251 4.195 4.195 110 H ARG 15 H ARG 15 -0.365 5.613 5.613 111 HA ARG 15 HA ARG 15 -2.593 7.362 7.362 112 1HB ARG 15 1HB ARG 15 -2.153 6.685 6.685 113 2HB ARG 15 2HB ARG 15 -0.417 6.649 6.649 114 1HG ARG 15 1HG ARG 15 -0.436 9.270 9.270 115 2HG ARG 15 2HG ARG 15 -2.146 9.150 9.150 116 1HD ARG 15 1HD ARG 15 -0.542 7.235 7.235 117 2HD ARG 15 2HD ARG 15 0.082 8.897 8.897 118 HE ARG 15 HE ARG 15 -1.944 9.575 9.575 119 1HH1 ARG 15 1HH1 ARG 15 -2.422 6.417 6.417 120 2HH1 ARG 15 2HH1 ARG 15 -4.054 6.216 6.216 121 1HH2 ARG 15 1HH2 ARG 15 -3.716 9.287 9.287 122 2HH2 ARG 15 2HH2 ARG 15 -4.763 7.773 7.773 123 H LEU 16 H LEU 16 0.796 8.378 8.378 124 HA LEU 16 HA LEU 16 -0.002 11.242 11.242 125 1HB LEU 16 1HB LEU 16 2.669 9.718 9.718 126 2HB LEU 16 2HB LEU 16 2.660 11.456 11.456 127 HG LEU 16 HG LEU 16 3.024 11.445 11.445 128 1HD1 LEU 16 1HD1 LEU 16 0.677 12.474 12.474 129 2HD1 LEU 16 2HD1 LEU 16 -0.022 10.930 10.930 130 3HD1 LEU 16 3HD1 LEU 16 1.000 11.852 11.852 131 1HD2 LEU 16 1HD2 LEU 16 3.150 8.904 8.904 132 2HD2 LEU 16 2HD2 LEU 16 2.437 9.586 9.586 133 3HD2 LEU 16 3HD2 LEU 16 1.395 8.837 8.837 134 H LYS 17 H LYS 17 1.394 9.009 9.009 135 HA LYS 17 HA LYS 17 2.058 11.203 11.203 136 1HB LYS 17 1HB LYS 17 2.246 8.140 8.140 137 2HB LYS 17 2HB LYS 17 2.304 8.947 8.947 138 1HG LYS 17 1HG LYS 17 4.160 10.487 10.487 139 2HG LYS 17 2HG LYS 17 4.342 8.919 8.919 140 1HD LYS 17 1HD LYS 17 5.369 8.007 8.007 141 2HD LYS 17 2HD LYS 17 4.322 8.880 8.880 142 1HE LYS 17 1HE LYS 17 6.049 10.734 10.734 143 2HE LYS 17 2HE LYS 17 7.003 9.618 9.618 144 1HZ LYS 17 1HZ LYS 17 4.718 10.677 10.677 145 2HZ LYS 17 2HZ LYS 17 5.802 11.863 11.863 146 3HZ LYS 17 3HZ LYS 17 6.331 10.590 10.590 147 H LYS 18 H LYS 18 -0.673 9.394 9.394 148 HA LYS 18 HA LYS 18 -2.764 9.093 9.093 149 1HB LYS 18 1HB LYS 18 -1.847 11.668 11.668 150 2HB LYS 18 2HB LYS 18 -3.301 10.817 10.817 151 1HG LYS 18 1HG LYS 18 -4.021 10.911 10.911 152 2HG LYS 18 2HG LYS 18 -2.702 12.062 12.062 153 1HD LYS 18 1HD LYS 18 -3.845 13.686 13.686 154 2HD LYS 18 2HD LYS 18 -4.972 12.462 12.462 155 1HE LYS 18 1HE LYS 18 -5.143 14.023 14.023 156 2HE LYS 18 2HE LYS 18 -6.415 13.103 13.103 157 1HZ LYS 18 1HZ LYS 18 -5.346 11.048 11.048 158 2HZ LYS 18 2HZ LYS 18 -4.311 12.009 12.009 159 3HZ LYS 18 3HZ LYS 18 -5.970 12.064 12.064 160 H LEU 19 H LEU 19 -1.870 7.186 7.186 161 HA LEU 19 HA LEU 19 -1.331 6.813 6.813 162 1HB LEU 19 1HB LEU 19 0.133 5.627 5.627 163 2HB LEU 19 2HB LEU 19 0.075 4.702 4.702 164 HG LEU 19 HG LEU 19 1.801 5.833 5.833 165 1HD1 LEU 19 1HD1 LEU 19 0.208 8.052 8.052 166 2HD1 LEU 19 2HD1 LEU 19 1.424 8.586 8.586 167 3HD1 LEU 19 3HD1 LEU 19 1.921 8.135 8.135 168 1HD2 LEU 19 1HD2 LEU 19 2.102 6.767 6.767 169 2HD2 LEU 19 2HD2 LEU 19 2.811 5.323 5.323 170 3HD2 LEU 19 3HD2 LEU 19 3.394 6.927 6.927 171 H LYS 20 H LYS 20 -1.278 4.264 4.264 172 HA LYS 20 HA LYS 20 -3.890 3.218 3.218 173 1HB LYS 20 1HB LYS 20 -1.831 2.061 2.061 174 2HB LYS 20 2HB LYS 20 -3.182 1.106 1.106 175 1HG LYS 20 1HG LYS 20 -3.170 3.440 3.440 176 2HG LYS 20 2HG LYS 20 -4.143 1.971 1.971 177 1HD LYS 20 1HD LYS 20 -4.588 4.299 4.299 178 2HD LYS 20 2HD LYS 20 -5.327 4.255 4.255 179 1HE LYS 20 1HE LYS 20 -5.615 1.720 1.720 180 2HE LYS 20 2HE LYS 20 -6.559 3.119 3.119 181 1HZ LYS 20 1HZ LYS 20 -6.622 2.724 2.724 182 2HZ LYS 20 2HZ LYS 20 -7.277 1.449 1.449 183 3HZ LYS 20 3HZ LYS 20 -7.875 3.007 3.007 184 H CYS 21 H CYS 21 -3.150 0.495 0.495 185 HA CYS 21 HA CYS 21 -0.645 0.021 0.021 186 1HB CYS 21 1HB CYS 21 -2.038 1.449 1.449 187 2HB CYS 21 2HB CYS 21 -3.022 -0.003 -0.003 188 H SER 22 H SER 22 -0.942 -1.457 -1.457 189 HA SER 22 HA SER 22 -2.561 -3.745 -3.745 190 1HB SER 22 1HB SER 22 -0.395 -5.112 -5.112 191 2HB SER 22 2HB SER 22 -0.700 -3.738 -3.738 192 HG SER 22 HG SER 22 0.839 -2.555 -2.555 193 H LYS 23 H LYS 23 -0.216 -3.110 -3.110 194 HA LYS 23 HA LYS 23 -0.649 -3.662 -3.662 195 1HB LYS 23 1HB LYS 23 -2.727 -5.637 -5.637 196 2HB LYS 23 2HB LYS 23 -2.383 -5.535 -5.535 197 1HG LYS 23 1HG LYS 23 -3.077 -3.082 -3.082 198 2HG LYS 23 2HG LYS 23 -3.341 -3.147 -3.147 199 1HD LYS 23 1HD LYS 23 -5.253 -4.720 -4.720 200 2HD LYS 23 2HD LYS 23 -4.869 -4.850 -4.850 201 1HE LYS 23 1HE LYS 23 -6.736 -3.123 -3.123 202 2HE LYS 23 2HE LYS 23 -5.423 -2.496 -2.496 203 1HZ LYS 23 1HZ LYS 23 -5.155 -2.327 -2.327 204 2HZ LYS 23 2HZ LYS 23 -6.146 -1.231 -1.231 205 3HZ LYS 23 3HZ LYS 23 -4.513 -1.334 -1.334 206 H GLU 24 H GLU 24 0.686 -5.491 -5.491 207 HA GLU 24 HA GLU 24 1.622 -7.826 -7.826 208 1HB GLU 24 1HB GLU 24 4.024 -7.065 -7.065 209 2HB GLU 24 2HB GLU 24 2.735 -7.512 -7.512 210 1HG GLU 24 1HG GLU 24 2.206 -4.987 -4.987 211 2HG GLU 24 2HG GLU 24 3.609 -4.614 -4.614 212 H LYS 25 H LYS 25 3.564 -8.350 -8.350 213 HA LYS 25 HA LYS 25 4.018 -6.430 -6.430 214 1HB LYS 25 1HB LYS 25 2.860 -9.294 -9.294 215 2HB LYS 25 2HB LYS 25 3.534 -8.437 -8.437 216 1HG LYS 25 1HG LYS 25 1.780 -6.681 -6.681 217 2HG LYS 25 2HG LYS 25 1.245 -7.247 -7.247 218 1HD LYS 25 1HD LYS 25 0.071 -7.846 -7.846 219 2HD LYS 25 2HD LYS 25 -0.138 -8.824 -8.824 220 1HE LYS 25 1HE LYS 25 0.708 -10.566 -10.566 221 2HE LYS 25 2HE LYS 25 2.284 -9.881 -9.881 222 1HZ LYS 25 1HZ LYS 25 0.975 -8.556 -8.556 223 2HZ LYS 25 2HZ LYS 25 1.390 -10.161 -10.161 224 3HZ LYS 25 3HZ LYS 25 2.571 -9.056 -9.056 225 HA PRO 26 HA PRO 26 4.997 -6.509 -6.509 226 1HB PRO 26 1HB PRO 26 7.297 -5.116 -5.116 227 2HB PRO 26 2HB PRO 26 6.989 -6.863 -6.863 228 1HG PRO 26 1HG PRO 26 8.408 -6.115 -6.115 229 2HG PRO 26 2HG PRO 26 9.073 -6.950 -6.950 230 1HD PRO 26 1HD PRO 26 8.096 -8.201 -8.201 231 2HD PRO 26 2HD PRO 26 7.566 -8.799 -8.799 232 H LYS 27 H LYS 27 7.301 -5.370 -5.370 233 HA LYS 27 HA LYS 27 5.864 -2.684 -2.684 234 1HB LYS 27 1HB LYS 27 8.161 -3.015 -3.015 235 2HB LYS 27 2HB LYS 27 7.850 -1.728 -1.728 236 1HG LYS 27 1HG LYS 27 8.483 -4.089 -4.089 237 2HG LYS 27 2HG LYS 27 9.628 -4.083 -4.083 238 1HD LYS 27 1HD LYS 27 9.212 -1.440 -1.440 239 2HD LYS 27 2HD LYS 27 9.907 -2.738 -2.738 240 1HE LYS 27 1HE LYS 27 11.009 -2.127 -2.127 241 2HE LYS 27 2HE LYS 27 11.618 -1.268 -1.268 242 1HZ LYS 27 1HZ LYS 27 11.428 -4.195 -4.195 243 2HZ LYS 27 2HZ LYS 27 12.666 -3.517 -3.517 244 3HZ LYS 27 3HZ LYS 27 12.528 -3.146 -3.146 245 H CYS 28 H CYS 28 4.520 -2.056 -2.056 246 HA CYS 28 HA CYS 28 3.625 -3.787 -3.787 247 1HB CYS 28 1HB CYS 28 2.908 -1.490 -1.490 248 2HB CYS 28 2HB CYS 28 2.162 -1.968 -1.968 249 H ALA 29 H ALA 29 3.685 -2.719 -2.719 250 HA ALA 29 HA ALA 29 6.379 -3.101 -3.101 251 1HB ALA 29 1HB ALA 29 4.230 -3.264 -3.264 252 2HB ALA 29 2HB ALA 29 3.950 -1.519 -1.519 253 3HB ALA 29 3HB ALA 29 5.337 -2.097 -2.097 254 H LYS 30 H LYS 30 4.534 -0.188 -0.188 255 HA LYS 30 HA LYS 30 6.371 1.830 1.830 256 1HB LYS 30 1HB LYS 30 4.542 1.532 1.532 257 2HB LYS 30 2HB LYS 30 5.481 3.000 3.000 258 1HG LYS 30 1HG LYS 30 3.348 1.858 1.858 259 2HG LYS 30 2HG LYS 30 3.185 3.297 3.297 260 1HD LYS 30 1HD LYS 30 5.573 3.426 3.426 261 2HD LYS 30 2HD LYS 30 4.107 3.068 3.068 262 1HE LYS 30 1HE LYS 30 2.973 5.031 5.031 263 2HE LYS 30 2HE LYS 30 4.634 5.527 5.527 264 1HZ LYS 30 1HZ LYS 30 5.007 5.339 5.339 265 2HZ LYS 30 2HZ LYS 30 3.331 5.317 5.317 266 3HZ LYS 30 3HZ LYS 30 4.097 6.638 6.638 267 H CYS 31 H CYS 31 6.170 0.729 0.729 268 HA CYS 31 HA CYS 31 8.520 2.288 2.288 269 1HB CYS 31 1HB CYS 31 7.416 -0.163 -0.163 270 2HB CYS 31 2HB CYS 31 8.440 1.094 1.094 271 H LEU 32 H LEU 32 8.246 -1.060 -1.060 272 HA LEU 32 HA LEU 32 11.068 -1.709 -1.709 273 1HB LEU 32 1HB LEU 32 9.432 -3.542 -3.542 274 2HB LEU 32 2HB LEU 32 9.006 -2.896 -2.896 275 HG LEU 32 HG LEU 32 10.345 -5.018 -5.018 276 1HD1 LEU 32 1HD1 LEU 32 10.295 -3.448 -3.448 277 2HD1 LEU 32 2HD1 LEU 32 11.720 -2.583 -2.583 278 3HD1 LEU 32 3HD1 LEU 32 11.857 -4.280 -4.280 279 1HD2 LEU 32 1HD2 LEU 32 12.670 -3.274 -3.274 280 2HD2 LEU 32 2HD2 LEU 32 11.937 -4.690 -4.690 281 3HD2 LEU 32 3HD2 LEU 32 12.855 -4.906 -4.906 282 H LYS 33 H LYS 33 9.478 -0.209 -0.209 283 HA LYS 33 HA LYS 33 11.863 -0.428 -0.428 284 1HB LYS 33 1HB LYS 33 9.260 1.258 1.258 285 2HB LYS 33 2HB LYS 33 10.533 1.426 1.426 286 1HG LYS 33 1HG LYS 33 9.648 -1.439 -1.439 287 2HG LYS 33 2HG LYS 33 8.413 -0.390 -0.390 288 1HD LYS 33 1HD LYS 33 11.111 -0.221 -0.221 289 2HD LYS 33 2HD LYS 33 10.381 -1.838 -1.838 290 1HE LYS 33 1HE LYS 33 9.564 -0.595 -0.595 291 2HE LYS 33 2HE LYS 33 8.194 -0.819 -0.819 292 1HZ LYS 33 1HZ LYS 33 9.687 1.553 1.553 293 2HZ LYS 33 2HZ LYS 33 9.094 1.562 1.562 294 3HZ LYS 33 3HZ LYS 33 8.041 1.353 1.353 295 H ASN 34 H ASN 34 10.729 1.736 1.736 296 HA ASN 34 HA ASN 34 12.939 3.706 3.706 297 1HB ASN 34 1HB ASN 34 10.121 4.058 4.058 298 2HB ASN 34 2HB ASN 34 11.321 5.277 5.277 299 1HD2 ASN 34 1HD2 ASN 34 9.346 5.539 5.539 300 2HD2 ASN 34 2HD2 ASN 34 8.941 4.270 4.270 301 H ASN 35 H ASN 35 12.676 1.263 1.263 302 HA ASN 35 HA ASN 35 13.179 0.837 0.837 303 1HB ASN 35 1HB ASN 35 15.475 1.214 1.214 304 2HB ASN 35 2HB ASN 35 15.218 2.930 2.930 305 1HD2 ASN 35 1HD2 ASN 35 15.469 2.435 2.435 306 2HD2 ASN 35 2HD2 ASN 35 14.148 1.524 1.524 307 H TRP 36 H TRP 36 11.221 1.464 1.464 308 HA TRP 36 HA TRP 36 11.276 4.144 4.144 309 1HB TRP 36 1HB TRP 36 9.035 2.821 2.821 310 2HB TRP 36 2HB TRP 36 8.631 4.026 4.026 311 HD1 TRP 36 HD1 TRP 36 11.586 5.665 5.665 312 HE1 TRP 36 HE1 TRP 36 11.335 7.456 7.456 313 HE3 TRP 36 HE3 TRP 36 7.279 3.763 3.763 314 HZ2 TRP 36 HZ2 TRP 36 9.362 7.860 7.860 315 HZ3 TRP 36 HZ3 TRP 36 6.349 4.796 4.796 316 HH2 TRP 36 HH2 TRP 36 7.323 6.859 6.859 317 H GLU 37 H GLU 37 9.382 4.177 4.177 318 HA GLU 37 HA GLU 37 9.695 1.578 1.578 319 1HB GLU 37 1HB GLU 37 10.571 3.453 3.453 320 2HB GLU 37 2HB GLU 37 9.271 4.524 4.524 321 1HG GLU 37 1HG GLU 37 8.186 4.085 4.085 322 2HG GLU 37 2HG GLU 37 7.983 2.411 2.411 323 H CYS 38 H CYS 38 8.102 0.911 0.911 324 HA CYS 38 HA CYS 38 5.327 1.456 1.456 325 1HB CYS 38 1HB CYS 38 6.550 -0.342 -0.342 326 2HB CYS 38 2HB CYS 38 6.509 -1.425 -1.425 327 H ARG 39 H ARG 39 4.655 2.200 2.200 328 HA ARG 39 HA ARG 39 4.547 0.252 0.252 329 1HB ARG 39 1HB ARG 39 4.875 3.095 3.095 330 2HB ARG 39 2HB ARG 39 3.220 2.925 2.925 331 1HG ARG 39 1HG ARG 39 4.727 1.120 1.120 332 2HG ARG 39 2HG ARG 39 5.784 2.513 2.513 333 1HD ARG 39 1HD ARG 39 3.560 3.930 3.930 334 2HD ARG 39 2HD ARG 39 2.981 2.383 2.383 335 HE ARG 39 HE ARG 39 5.512 2.504 2.504 336 1HH1 ARG 39 1HH1 ARG 39 3.033 4.931 4.931 337 2HH1 ARG 39 2HH1 ARG 39 3.613 5.720 5.720 338 1HH2 ARG 39 1HH2 ARG 39 6.084 3.414 3.414 339 2HH2 ARG 39 2HH2 ARG 39 5.272 4.900 4.900 340 H TYR 40 H TYR 40 3.130 -1.203 -1.203 341 HA TYR 40 HA TYR 40 0.283 -0.355 -0.355 342 1HB TYR 40 1HB TYR 40 1.529 -3.173 -3.173 343 2HB TYR 40 2HB TYR 40 -0.168 -2.924 -2.924 344 HD1 TYR 40 HD1 TYR 40 -0.421 -1.118 -1.118 345 HD2 TYR 40 HD2 TYR 40 2.358 -4.319 -4.319 346 HE1 TYR 40 HE1 TYR 40 -0.203 -1.468 -1.468 347 HE2 TYR 40 HE2 TYR 40 2.546 -4.682 -4.682 348 HH TYR 40 HH TYR 40 0.685 -4.048 -4.048 349 H SER 41 H SER 41 1.131 0.745 0.745 350 HA SER 41 HA SER 41 -0.487 -0.856 -0.856 351 1HB SER 41 1HB SER 41 2.165 -0.339 -0.339 352 2HB SER 41 2HB SER 41 1.555 1.196 1.196 353 HG SER 41 HG SER 41 0.548 0.184 0.184 354 HA PRO 42 HA PRO 42 -2.543 3.238 3.238 355 1HB PRO 42 1HB PRO 42 -4.663 1.056 1.056 356 2HB PRO 42 2HB PRO 42 -4.489 2.590 2.590 357 1HG PRO 42 1HG PRO 42 -3.646 0.056 0.056 358 2HG PRO 42 2HG PRO 42 -2.720 1.673 1.673 359 1HD PRO 42 1HD PRO 42 -2.535 -0.645 -0.645 360 2HD PRO 42 2HD PRO 42 -1.183 0.115 0.115 361 H LYS 43 H LYS 43 -4.578 0.847 0.847 362 HA LYS 43 HA LYS 43 -6.038 1.445 1.445 363 1HB LYS 43 1HB LYS 43 -4.320 -0.413 -0.413 364 2HB LYS 43 2HB LYS 43 -3.199 0.761 0.761 365 1HG LYS 43 1HG LYS 43 -4.720 1.212 1.212 366 2HG LYS 43 2HG LYS 43 -6.028 0.299 0.299 367 1HD LYS 43 1HD LYS 43 -4.519 -1.793 -1.793 368 2HD LYS 43 2HD LYS 43 -3.349 -0.779 -0.779 369 1HE LYS 43 1HE LYS 43 -4.600 -1.460 -1.460 370 2HE LYS 43 2HE LYS 43 -5.579 -0.050 -0.050 371 1HZ LYS 43 1HZ LYS 43 -6.202 -2.534 -2.534 372 2HZ LYS 43 2HZ LYS 43 -6.593 -2.469 -2.469 373 3HZ LYS 43 3HZ LYS 43 -7.222 -1.326 -1.326 Start of MODEL 9 1 1H MET 1 1H MET 1 -19.143 13.942 13.942 2 2H MET 1 2H MET 1 -19.422 14.449 14.449 3 3H MET 1 3H MET 1 -19.341 15.578 15.578 4 HA MET 1 HA MET 1 -17.296 15.871 15.871 5 1HB MET 1 1HB MET 1 -17.511 12.894 12.894 6 2HB MET 1 2HB MET 1 -15.980 13.754 13.754 7 1HG MET 1 1HG MET 1 -17.252 15.514 15.514 8 2HG MET 1 2HG MET 1 -18.472 14.234 14.234 9 1HE MET 1 1HE MET 1 -15.479 15.825 15.825 10 2HE MET 1 2HE MET 1 -16.004 15.403 15.403 11 3HE MET 1 3HE MET 1 -14.459 14.761 14.761 12 H LYS 2 H LYS 2 -15.048 14.738 14.738 13 HA LYS 2 HA LYS 2 -14.763 15.112 15.112 14 1HB LYS 2 1HB LYS 2 -12.961 15.033 15.033 15 2HB LYS 2 2HB LYS 2 -12.840 13.320 13.320 16 1HG LYS 2 1HG LYS 2 -11.076 14.662 14.662 17 2HG LYS 2 2HG LYS 2 -12.127 13.815 13.815 18 1HD LYS 2 1HD LYS 2 -13.235 15.902 15.902 19 2HD LYS 2 2HD LYS 2 -12.603 16.748 16.748 20 1HE LYS 2 1HE LYS 2 -10.258 16.590 16.590 21 2HE LYS 2 2HE LYS 2 -10.743 15.553 15.553 22 1HZ LYS 2 1HZ LYS 2 -12.404 17.710 17.710 23 2HZ LYS 2 2HZ LYS 2 -10.944 18.396 18.396 24 3HZ LYS 2 3HZ LYS 2 -11.011 17.427 17.427 25 H LEU 3 H LEU 3 -14.788 12.074 12.074 26 HA LEU 3 HA LEU 3 -14.888 9.838 9.838 27 1HB LEU 3 1HB LEU 3 -17.284 10.500 10.500 28 2HB LEU 3 2HB LEU 3 -17.035 11.215 11.215 29 HG LEU 3 HG LEU 3 -16.909 9.111 9.111 30 1HD1 LEU 3 1HD1 LEU 3 -16.168 7.993 7.993 31 2HD1 LEU 3 2HD1 LEU 3 -16.856 6.903 6.903 32 3HD1 LEU 3 3HD1 LEU 3 -15.345 7.785 7.785 33 1HD2 LEU 3 1HD2 LEU 3 -19.232 9.715 9.715 34 2HD2 LEU 3 2HD2 LEU 3 -19.032 8.114 8.114 35 3HD2 LEU 3 3HD2 LEU 3 -18.896 8.316 8.316 36 H LEU 4 H LEU 4 -15.855 10.645 10.645 37 HA LEU 4 HA LEU 4 -14.878 9.678 9.678 38 1HB LEU 4 1HB LEU 4 -12.658 11.482 11.482 39 2HB LEU 4 2HB LEU 4 -12.455 10.675 10.675 40 HG LEU 4 HG LEU 4 -14.636 12.736 12.736 41 1HD1 LEU 4 1HD1 LEU 4 -11.886 12.910 12.910 42 2HD1 LEU 4 2HD1 LEU 4 -13.185 13.901 13.901 43 3HD1 LEU 4 3HD1 LEU 4 -12.757 14.098 14.098 44 1HD2 LEU 4 1HD2 LEU 4 -14.176 11.036 11.036 45 2HD2 LEU 4 2HD2 LEU 4 -15.700 11.448 11.448 46 3HD2 LEU 4 3HD2 LEU 4 -14.841 12.680 12.680 47 H SER 5 H SER 5 -11.742 9.753 9.753 48 HA SER 5 HA SER 5 -11.202 6.990 6.990 49 1HB SER 5 1HB SER 5 -9.771 9.148 9.148 50 2HB SER 5 2HB SER 5 -9.422 7.606 7.606 51 HG SER 5 HG SER 5 -8.715 8.580 8.580 52 H SER 6 H SER 6 -9.976 5.799 5.799 53 HA SER 6 HA SER 6 -10.308 4.749 4.749 54 1HB SER 6 1HB SER 6 -11.543 6.491 6.491 55 2HB SER 6 2HB SER 6 -12.927 6.364 6.364 56 HG SER 6 HG SER 6 -12.411 5.067 5.067 57 H ILE 7 H ILE 7 -10.062 3.135 3.135 58 HA ILE 7 HA ILE 7 -12.271 1.136 1.136 59 HB ILE 7 HB ILE 7 -12.855 2.958 2.958 60 1HG1 ILE 7 1HG1 ILE 7 -13.201 -0.024 -0.024 61 2HG1 ILE 7 2HG1 ILE 7 -14.193 0.848 0.848 62 1HG2 ILE 7 1HG2 ILE 7 -10.432 2.187 2.187 63 2HG2 ILE 7 2HG2 ILE 7 -11.621 1.260 1.260 64 3HG2 ILE 7 3HG2 ILE 7 -11.765 2.997 2.997 65 1HD1 ILE 7 1HD1 ILE 7 -14.790 2.541 2.541 66 2HD1 ILE 7 2HD1 ILE 7 -14.105 1.327 1.327 67 3HD1 ILE 7 3HD1 ILE 7 -15.495 0.906 0.906 68 H GLU 8 H GLU 8 -11.348 -0.037 -0.037 69 HA GLU 8 HA GLU 8 -9.521 -1.943 -1.943 70 1HB GLU 8 1HB GLU 8 -10.343 -0.562 -0.562 71 2HB GLU 8 2HB GLU 8 -8.657 -0.104 -0.104 72 1HG GLU 8 1HG GLU 8 -9.050 -2.095 -2.095 73 2HG GLU 8 2HG GLU 8 -7.936 -2.501 -2.501 74 H GLN 9 H GLN 9 -8.154 -2.003 -2.003 75 HA GLN 9 HA GLN 9 -5.978 -0.552 -0.552 76 1HB GLN 9 1HB GLN 9 -6.595 -3.201 -3.201 77 2HB GLN 9 2HB GLN 9 -5.333 -3.265 -3.265 78 1HG GLN 9 1HG GLN 9 -3.626 -3.029 -3.029 79 2HG GLN 9 2HG GLN 9 -4.428 -1.711 -1.711 80 1HE2 GLN 9 1HE2 GLN 9 -5.715 -4.007 -4.007 81 2HE2 GLN 9 2HE2 GLN 9 -6.058 -2.406 -2.406 82 H ALA 10 H ALA 10 -4.087 0.177 0.177 83 HA ALA 10 HA ALA 10 -2.646 -0.560 -0.560 84 1HB ALA 10 1HB ALA 10 -4.504 0.603 0.603 85 2HB ALA 10 2HB ALA 10 -4.235 2.095 2.095 86 3HB ALA 10 3HB ALA 10 -2.999 1.517 1.517 87 H CYS 11 H CYS 11 -0.603 0.493 0.493 88 HA CYS 11 HA CYS 11 0.242 1.076 1.076 89 1HB CYS 11 1HB CYS 11 2.524 1.141 1.141 90 2HB CYS 11 2HB CYS 11 1.627 -0.164 -0.164 91 H ASP 12 H ASP 12 1.842 2.793 2.793 92 HA ASP 12 HA ASP 12 0.423 5.324 5.324 93 1HB ASP 12 1HB ASP 12 2.005 4.999 4.999 94 2HB ASP 12 2HB ASP 12 3.298 4.536 4.536 95 H ILE 13 H ILE 13 3.125 4.115 4.115 96 HA ILE 13 HA ILE 13 3.754 6.675 6.675 97 HB ILE 13 HB ILE 13 4.284 3.752 3.752 98 1HG1 ILE 13 1HG1 ILE 13 5.956 4.609 4.609 99 2HG1 ILE 13 2HG1 ILE 13 6.724 4.604 4.604 100 1HG2 ILE 13 1HG2 ILE 13 3.797 4.810 4.810 101 2HG2 ILE 13 2HG2 ILE 13 5.014 6.029 6.029 102 3HG2 ILE 13 3HG2 ILE 13 5.498 4.321 4.321 103 1HD1 ILE 13 1HD1 ILE 13 5.532 7.168 7.168 104 2HD1 ILE 13 2HD1 ILE 13 7.244 6.715 6.715 105 3HD1 ILE 13 3HD1 ILE 13 6.433 7.027 7.027 106 H CYS 14 H CYS 14 1.300 4.380 4.380 107 HA CYS 14 HA CYS 14 0.657 5.715 5.715 108 1HB CYS 14 1HB CYS 14 -0.655 3.490 3.490 109 2HB CYS 14 2HB CYS 14 -1.527 4.204 4.204 110 H ARG 15 H ARG 15 -0.461 5.851 5.851 111 HA ARG 15 HA ARG 15 -2.550 7.747 7.747 112 1HB ARG 15 1HB ARG 15 -0.235 7.751 7.751 113 2HB ARG 15 2HB ARG 15 -1.701 8.695 8.695 114 1HG ARG 15 1HG ARG 15 -3.076 6.529 6.529 115 2HG ARG 15 2HG ARG 15 -1.610 5.593 5.593 116 1HD ARG 15 1HD ARG 15 -1.296 5.529 5.529 117 2HD ARG 15 2HD ARG 15 -1.027 7.292 7.292 118 HE ARG 15 HE ARG 15 -3.643 7.469 7.469 119 1HH1 ARG 15 1HH1 ARG 15 -1.974 4.785 4.785 120 2HH1 ARG 15 2HH1 ARG 15 -3.338 4.481 4.481 121 1HH2 ARG 15 1HH2 ARG 15 -5.075 7.081 7.081 122 2HH2 ARG 15 2HH2 ARG 15 -5.025 5.726 5.726 123 H LEU 16 H LEU 16 0.901 8.527 8.527 124 HA LEU 16 HA LEU 16 0.346 11.441 11.441 125 1HB LEU 16 1HB LEU 16 2.963 9.797 9.797 126 2HB LEU 16 2HB LEU 16 2.940 11.549 11.549 127 HG LEU 16 HG LEU 16 3.094 9.806 9.806 128 1HD1 LEU 16 1HD1 LEU 16 4.190 12.052 12.052 129 2HD1 LEU 16 2HD1 LEU 16 2.613 12.864 12.864 130 3HD1 LEU 16 3HD1 LEU 16 3.297 11.954 11.954 131 1HD2 LEU 16 1HD2 LEU 16 0.399 11.341 11.341 132 2HD2 LEU 16 2HD2 LEU 16 0.625 9.577 9.577 133 3HD2 LEU 16 3HD2 LEU 16 1.169 10.598 10.598 134 H LYS 17 H LYS 17 1.711 9.026 9.026 135 HA LYS 17 HA LYS 17 2.301 11.109 11.109 136 1HB LYS 17 1HB LYS 17 2.256 8.043 8.043 137 2HB LYS 17 2HB LYS 17 3.156 9.225 9.225 138 1HG LYS 17 1HG LYS 17 4.043 9.577 9.577 139 2HG LYS 17 2HG LYS 17 3.920 7.836 7.836 140 1HD LYS 17 1HD LYS 17 6.096 8.167 8.167 141 2HD LYS 17 2HD LYS 17 5.290 8.493 8.493 142 1HE LYS 17 1HE LYS 17 5.286 10.922 10.922 143 2HE LYS 17 2HE LYS 17 6.937 10.352 10.352 144 1HZ LYS 17 1HZ LYS 17 5.903 10.079 10.079 145 2HZ LYS 17 2HZ LYS 17 4.998 11.387 11.387 146 3HZ LYS 17 3HZ LYS 17 6.678 11.471 11.471 147 H LYS 18 H LYS 18 -0.369 9.264 9.264 148 HA LYS 18 HA LYS 18 -2.433 8.791 8.791 149 1HB LYS 18 1HB LYS 18 -1.628 11.309 11.309 150 2HB LYS 18 2HB LYS 18 -3.014 10.340 10.340 151 1HG LYS 18 1HG LYS 18 -4.175 10.745 10.745 152 2HG LYS 18 2HG LYS 18 -2.702 11.337 11.337 153 1HD LYS 18 1HD LYS 18 -2.966 13.478 13.478 154 2HD LYS 18 2HD LYS 18 -3.721 12.863 12.863 155 1HE LYS 18 1HE LYS 18 -5.073 12.921 12.921 156 2HE LYS 18 2HE LYS 18 -5.447 14.023 14.023 157 1HZ LYS 18 1HZ LYS 18 -5.586 11.105 11.105 158 2HZ LYS 18 2HZ LYS 18 -6.853 11.918 11.918 159 3HZ LYS 18 3HZ LYS 18 -6.382 12.347 12.347 160 H LEU 19 H LEU 19 -1.370 6.895 6.895 161 HA LEU 19 HA LEU 19 -0.919 6.423 6.423 162 1HB LEU 19 1HB LEU 19 0.791 5.443 5.443 163 2HB LEU 19 2HB LEU 19 0.754 4.539 4.539 164 HG LEU 19 HG LEU 19 2.207 5.942 5.942 165 1HD1 LEU 19 1HD1 LEU 19 0.573 7.832 7.832 166 2HD1 LEU 19 2HD1 LEU 19 0.969 8.378 8.378 167 3HD1 LEU 19 3HD1 LEU 19 2.195 8.451 8.451 168 1HD2 LEU 19 1HD2 LEU 19 2.658 6.625 6.625 169 2HD2 LEU 19 2HD2 LEU 19 3.621 5.581 5.581 170 3HD2 LEU 19 3HD2 LEU 19 3.689 7.335 7.335 171 H LYS 20 H LYS 20 -1.445 4.427 4.427 172 HA LYS 20 HA LYS 20 -3.544 3.004 3.004 173 1HB LYS 20 1HB LYS 20 -2.229 2.150 2.150 174 2HB LYS 20 2HB LYS 20 -3.709 1.481 1.481 175 1HG LYS 20 1HG LYS 20 -4.013 4.413 4.413 176 2HG LYS 20 2HG LYS 20 -3.372 3.846 3.846 177 1HD LYS 20 1HD LYS 20 -5.596 2.123 2.123 178 2HD LYS 20 2HD LYS 20 -6.076 3.831 3.831 179 1HE LYS 20 1HE LYS 20 -6.526 2.878 2.878 180 2HE LYS 20 2HE LYS 20 -5.280 4.130 4.130 181 1HZ LYS 20 1HZ LYS 20 -3.580 2.398 2.398 182 2HZ LYS 20 2HZ LYS 20 -4.763 1.206 1.206 183 3HZ LYS 20 3HZ LYS 20 -4.616 2.157 2.157 184 H CYS 21 H CYS 21 -3.506 1.156 1.156 185 HA CYS 21 HA CYS 21 -0.672 0.108 0.108 186 1HB CYS 21 1HB CYS 21 -1.986 1.535 1.535 187 2HB CYS 21 2HB CYS 21 -3.001 0.103 0.103 188 H SER 22 H SER 22 -1.155 -1.305 -1.305 189 HA SER 22 HA SER 22 -2.838 -3.551 -3.551 190 1HB SER 22 1HB SER 22 -0.771 -4.983 -4.983 191 2HB SER 22 2HB SER 22 -1.084 -3.573 -3.573 192 HG SER 22 HG SER 22 1.097 -4.181 -4.181 193 H LYS 23 H LYS 23 -0.326 -3.001 -3.001 194 HA LYS 23 HA LYS 23 -0.703 -3.475 -3.475 195 1HB LYS 23 1HB LYS 23 -2.911 -5.338 -5.338 196 2HB LYS 23 2HB LYS 23 -2.463 -5.380 -5.380 197 1HG LYS 23 1HG LYS 23 -2.828 -2.570 -2.570 198 2HG LYS 23 2HG LYS 23 -4.123 -3.396 -3.396 199 1HD LYS 23 1HD LYS 23 -4.049 -4.530 -4.530 200 2HD LYS 23 2HD LYS 23 -3.788 -2.786 -2.786 201 1HE LYS 23 1HE LYS 23 -6.305 -4.108 -4.108 202 2HE LYS 23 2HE LYS 23 -6.025 -2.366 -2.366 203 1HZ LYS 23 1HZ LYS 23 -5.589 -3.956 -3.956 204 2HZ LYS 23 2HZ LYS 23 -6.888 -2.933 -2.933 205 3HZ LYS 23 3HZ LYS 23 -5.338 -2.299 -2.299 206 H GLU 24 H GLU 24 0.567 -5.387 -5.387 207 HA GLU 24 HA GLU 24 1.439 -7.720 -7.720 208 1HB GLU 24 1HB GLU 24 3.847 -7.024 -7.024 209 2HB GLU 24 2HB GLU 24 2.541 -7.544 -7.544 210 1HG GLU 24 1HG GLU 24 2.001 -4.873 -4.873 211 2HG GLU 24 2HG GLU 24 3.661 -4.705 -4.705 212 H LYS 25 H LYS 25 3.308 -8.253 -8.253 213 HA LYS 25 HA LYS 25 3.866 -6.197 -6.197 214 1HB LYS 25 1HB LYS 25 2.553 -8.969 -8.969 215 2HB LYS 25 2HB LYS 25 3.206 -8.001 -8.001 216 1HG LYS 25 1HG LYS 25 1.574 -6.077 -6.077 217 2HG LYS 25 2HG LYS 25 0.831 -7.297 -7.297 218 1HD LYS 25 1HD LYS 25 -0.531 -7.683 -7.683 219 2HD LYS 25 2HD LYS 25 0.839 -8.540 -8.540 220 1HE LYS 25 1HE LYS 25 1.042 -5.540 -5.540 221 2HE LYS 25 2HE LYS 25 -0.364 -6.217 -6.217 222 1HZ LYS 25 1HZ LYS 25 2.119 -7.712 -7.712 223 2HZ LYS 25 2HZ LYS 25 2.070 -6.196 -6.196 224 3HZ LYS 25 3HZ LYS 25 0.916 -7.354 -7.354 225 HA PRO 26 HA PRO 26 4.747 -6.349 -6.349 226 1HB PRO 26 1HB PRO 26 7.107 -5.075 -5.075 227 2HB PRO 26 2HB PRO 26 6.687 -6.797 -6.797 228 1HG PRO 26 1HG PRO 26 8.195 -6.157 -6.157 229 2HG PRO 26 2HG PRO 26 8.792 -6.997 -6.997 230 1HD PRO 26 1HD PRO 26 7.800 -8.249 -8.249 231 2HD PRO 26 2HD PRO 26 7.184 -8.770 -8.770 232 H LYS 27 H LYS 27 7.144 -5.379 -5.379 233 HA LYS 27 HA LYS 27 5.730 -2.681 -2.681 234 1HB LYS 27 1HB LYS 27 8.244 -3.310 -3.310 235 2HB LYS 27 2HB LYS 27 7.730 -1.773 -1.773 236 1HG LYS 27 1HG LYS 27 8.146 -2.898 -2.898 237 2HG LYS 27 2HG LYS 27 8.959 -4.186 -4.186 238 1HD LYS 27 1HD LYS 27 9.892 -1.432 -1.432 239 2HD LYS 27 2HD LYS 27 10.068 -1.786 -1.786 240 1HE LYS 27 1HE LYS 27 11.291 -3.926 -3.926 241 2HE LYS 27 2HE LYS 27 11.055 -3.710 -3.710 242 1HZ LYS 27 1HZ LYS 27 12.202 -1.473 -1.473 243 2HZ LYS 27 2HZ LYS 27 12.692 -2.053 -2.053 244 3HZ LYS 27 3HZ LYS 27 13.153 -2.857 -2.857 245 H CYS 28 H CYS 28 4.487 -2.069 -2.069 246 HA CYS 28 HA CYS 28 3.644 -3.842 -3.842 247 1HB CYS 28 1HB CYS 28 3.010 -1.548 -1.548 248 2HB CYS 28 2HB CYS 28 2.163 -2.036 -2.036 249 H ALA 29 H ALA 29 3.808 -2.826 -2.826 250 HA ALA 29 HA ALA 29 6.594 -3.211 -3.211 251 1HB ALA 29 1HB ALA 29 4.521 -3.624 -3.624 252 2HB ALA 29 2HB ALA 29 4.127 -1.889 -1.889 253 3HB ALA 29 3HB ALA 29 5.591 -2.451 -2.451 254 H LYS 30 H LYS 30 4.510 -0.451 -0.451 255 HA LYS 30 HA LYS 30 6.122 1.750 1.750 256 1HB LYS 30 1HB LYS 30 3.848 1.259 1.259 257 2HB LYS 30 2HB LYS 30 4.999 1.902 1.902 258 1HG LYS 30 1HG LYS 30 3.287 3.476 3.476 259 2HG LYS 30 2HG LYS 30 4.775 4.071 4.071 260 1HD LYS 30 1HD LYS 30 5.618 3.038 3.038 261 2HD LYS 30 2HD LYS 30 3.998 3.676 3.676 262 1HE LYS 30 1HE LYS 30 4.775 5.810 5.810 263 2HE LYS 30 2HE LYS 30 6.419 5.216 5.216 264 1HZ LYS 30 1HZ LYS 30 4.422 5.686 5.686 265 2HZ LYS 30 2HZ LYS 30 5.664 6.737 6.737 266 3HZ LYS 30 3HZ LYS 30 6.025 5.221 5.221 267 H CYS 31 H CYS 31 6.125 0.611 0.611 268 HA CYS 31 HA CYS 31 8.376 2.337 2.337 269 1HB CYS 31 1HB CYS 31 7.398 -0.165 -0.165 270 2HB CYS 31 2HB CYS 31 8.337 1.163 1.163 271 H LEU 32 H LEU 32 8.211 -1.008 -1.008 272 HA LEU 32 HA LEU 32 11.054 -1.582 -1.582 273 1HB LEU 32 1HB LEU 32 8.988 -3.178 -3.178 274 2HB LEU 32 2HB LEU 32 9.555 -2.770 -2.770 275 HG LEU 32 HG LEU 32 10.951 -4.424 -4.424 276 1HD1 LEU 32 1HD1 LEU 32 9.429 -5.528 -5.528 277 2HD1 LEU 32 2HD1 LEU 32 10.556 -4.996 -4.996 278 3HD1 LEU 32 3HD1 LEU 32 11.100 -6.145 -6.145 279 1HD2 LEU 32 1HD2 LEU 32 12.625 -2.710 -2.710 280 2HD2 LEU 32 2HD2 LEU 32 13.072 -4.373 -4.373 281 3HD2 LEU 32 3HD2 LEU 32 12.345 -3.280 -3.280 282 H LYS 33 H LYS 33 9.395 -0.021 -0.021 283 HA LYS 33 HA LYS 33 11.796 -0.074 -0.074 284 1HB LYS 33 1HB LYS 33 9.122 1.498 1.498 285 2HB LYS 33 2HB LYS 33 10.385 1.748 1.748 286 1HG LYS 33 1HG LYS 33 10.270 -0.750 -0.750 287 2HG LYS 33 2HG LYS 33 9.003 -0.969 -0.969 288 1HD LYS 33 1HD LYS 33 7.449 -0.362 -0.362 289 2HD LYS 33 2HD LYS 33 8.233 1.212 1.212 290 1HE LYS 33 1HE LYS 33 9.300 -1.391 -1.391 291 2HE LYS 33 2HE LYS 33 8.178 -0.300 -0.300 292 1HZ LYS 33 1HZ LYS 33 9.930 1.488 1.488 293 2HZ LYS 33 2HZ LYS 33 10.967 0.164 0.164 294 3HZ LYS 33 3HZ LYS 33 10.145 0.584 0.584 295 H ASN 34 H ASN 34 10.531 1.950 1.950 296 HA ASN 34 HA ASN 34 12.828 3.910 3.910 297 1HB ASN 34 1HB ASN 34 9.873 4.355 4.355 298 2HB ASN 34 2HB ASN 34 11.052 5.553 5.553 299 1HD2 ASN 34 1HD2 ASN 34 9.466 5.943 5.943 300 2HD2 ASN 34 2HD2 ASN 34 8.741 4.967 4.967 301 H ASN 35 H ASN 35 12.639 1.511 1.511 302 HA ASN 35 HA ASN 35 13.196 1.006 1.006 303 1HB ASN 35 1HB ASN 35 15.461 1.392 1.392 304 2HB ASN 35 2HB ASN 35 15.282 2.079 2.079 305 1HD2 ASN 35 1HD2 ASN 35 15.806 5.400 5.400 306 2HD2 ASN 35 2HD2 ASN 35 14.303 4.723 4.723 307 H TRP 36 H TRP 36 11.185 1.637 1.637 308 HA TRP 36 HA TRP 36 11.174 4.261 4.261 309 1HB TRP 36 1HB TRP 36 9.045 2.843 2.843 310 2HB TRP 36 2HB TRP 36 8.499 3.913 3.913 311 HD1 TRP 36 HD1 TRP 36 11.373 5.832 5.832 312 HE1 TRP 36 HE1 TRP 36 11.031 7.672 7.672 313 HE3 TRP 36 HE3 TRP 36 7.166 3.792 3.792 314 HZ2 TRP 36 HZ2 TRP 36 9.020 8.058 8.058 315 HZ3 TRP 36 HZ3 TRP 36 6.141 4.866 4.866 316 HH2 TRP 36 HH2 TRP 36 7.022 6.988 6.988 317 H GLU 37 H GLU 37 9.245 4.189 4.189 318 HA GLU 37 HA GLU 37 9.578 1.572 1.572 319 1HB GLU 37 1HB GLU 37 10.304 3.956 3.956 320 2HB GLU 37 2HB GLU 37 8.600 4.296 4.296 321 1HG GLU 37 1HG GLU 37 8.330 2.629 2.629 322 2HG GLU 37 2HG GLU 37 9.834 1.828 1.828 323 H CYS 38 H CYS 38 7.962 0.984 0.984 324 HA CYS 38 HA CYS 38 5.193 1.468 1.468 325 1HB CYS 38 1HB CYS 38 6.370 -0.309 -0.309 326 2HB CYS 38 2HB CYS 38 6.403 -1.398 -1.398 327 H ARG 39 H ARG 39 4.360 2.124 2.124 328 HA ARG 39 HA ARG 39 4.712 0.427 0.427 329 1HB ARG 39 1HB ARG 39 4.124 3.355 3.355 330 2HB ARG 39 2HB ARG 39 3.379 2.706 2.706 331 1HG ARG 39 1HG ARG 39 5.444 2.583 2.583 332 2HG ARG 39 2HG ARG 39 6.297 1.979 1.979 333 1HD ARG 39 1HD ARG 39 6.761 4.168 4.168 334 2HD ARG 39 2HD ARG 39 5.347 4.889 4.889 335 HE ARG 39 HE ARG 39 8.010 4.648 4.648 336 1HH1 ARG 39 1HH1 ARG 39 4.727 4.194 4.194 337 2HH1 ARG 39 2HH1 ARG 39 5.146 4.564 4.564 338 1HH2 ARG 39 1HH2 ARG 39 8.386 5.041 5.041 339 2HH2 ARG 39 2HH2 ARG 39 7.132 5.028 5.028 340 H TYR 40 H TYR 40 3.397 -1.219 -1.219 341 HA TYR 40 HA TYR 40 0.429 -0.526 -0.526 342 1HB TYR 40 1HB TYR 40 1.592 -3.389 -3.389 343 2HB TYR 40 2HB TYR 40 -0.088 -2.946 -2.946 344 HD1 TYR 40 HD1 TYR 40 -0.752 -1.309 -1.309 345 HD2 TYR 40 HD2 TYR 40 2.777 -3.769 -3.769 346 HE1 TYR 40 HE1 TYR 40 -0.693 -1.463 -1.463 347 HE2 TYR 40 HE2 TYR 40 2.511 -4.297 -4.297 348 HH TYR 40 HH TYR 40 0.212 -3.968 -3.968 349 H SER 41 H SER 41 -0.070 -0.168 -0.168 350 HA SER 41 HA SER 41 0.807 -2.204 -2.204 351 1HB SER 41 1HB SER 41 1.604 0.292 0.292 352 2HB SER 41 2HB SER 41 2.630 -1.081 -1.081 353 HG SER 41 HG SER 41 3.050 -0.180 -0.180 354 HA PRO 42 HA PRO 42 -1.843 1.578 1.578 355 1HB PRO 42 1HB PRO 42 -3.153 1.845 1.845 356 2HB PRO 42 2HB PRO 42 -3.116 3.073 3.073 357 1HG PRO 42 1HG PRO 42 -1.254 3.157 3.157 358 2HG PRO 42 2HG PRO 42 -0.890 3.497 3.497 359 1HD PRO 42 1HD PRO 42 -0.425 1.197 1.197 360 2HD PRO 42 2HD PRO 42 0.634 1.761 1.761 361 H LYS 43 H LYS 43 -3.782 0.277 0.277 362 HA LYS 43 HA LYS 43 -5.935 -0.742 -0.742 363 1HB LYS 43 1HB LYS 43 -3.964 -2.456 -2.456 364 2HB LYS 43 2HB LYS 43 -5.246 -2.450 -2.450 365 1HG LYS 43 1HG LYS 43 -6.600 -2.759 -2.759 366 2HG LYS 43 2HG LYS 43 -5.158 -3.765 -3.765 367 1HD LYS 43 1HD LYS 43 -6.552 -5.322 -5.322 368 2HD LYS 43 2HD LYS 43 -6.089 -4.527 -4.527 369 1HE LYS 43 1HE LYS 43 -8.513 -4.491 -4.491 370 2HE LYS 43 2HE LYS 43 -8.077 -2.842 -2.842 371 1HZ LYS 43 1HZ LYS 43 -8.240 -3.686 -3.686 372 2HZ LYS 43 2HZ LYS 43 -9.016 -5.040 -5.040 373 3HZ LYS 43 3HZ LYS 43 -9.679 -3.511 -3.511 Start of MODEL 10 1 1H MET 1 1H MET 1 -18.440 -9.568 -9.568 2 2H MET 1 2H MET 1 -19.495 -8.848 -8.848 3 3H MET 1 3H MET 1 -17.843 -8.873 -8.873 4 HA MET 1 HA MET 1 -17.844 -6.825 -6.825 5 1HB MET 1 1HB MET 1 -19.706 -6.042 -6.042 6 2HB MET 1 2HB MET 1 -20.241 -6.509 -6.509 7 1HG MET 1 1HG MET 1 -21.431 -8.402 -8.402 8 2HG MET 1 2HG MET 1 -20.327 -8.681 -8.681 9 1HE MET 1 1HE MET 1 -22.392 -9.315 -9.315 10 2HE MET 1 2HE MET 1 -23.341 -8.198 -8.198 11 3HE MET 1 3HE MET 1 -23.843 -8.500 -8.500 12 H LYS 2 H LYS 2 -16.487 -6.104 -6.104 13 HA LYS 2 HA LYS 2 -15.859 -7.957 -7.957 14 1HB LYS 2 1HB LYS 2 -14.160 -6.495 -6.495 15 2HB LYS 2 2HB LYS 2 -13.513 -6.493 -6.493 16 1HG LYS 2 1HG LYS 2 -13.672 -9.051 -9.051 17 2HG LYS 2 2HG LYS 2 -14.345 -9.034 -9.034 18 1HD LYS 2 1HD LYS 2 -12.130 -7.931 -7.931 19 2HD LYS 2 2HD LYS 2 -11.528 -8.141 -8.141 20 1HE LYS 2 1HE LYS 2 -11.501 -10.526 -10.526 21 2HE LYS 2 2HE LYS 2 -12.773 -10.598 -10.598 22 1HZ LYS 2 1HZ LYS 2 -10.968 -9.267 -9.267 23 2HZ LYS 2 2HZ LYS 2 -9.919 -10.069 -10.069 24 3HZ LYS 2 3HZ LYS 2 -10.981 -10.947 -10.947 25 H LEU 3 H LEU 3 -15.587 -4.572 -4.572 26 HA LEU 3 HA LEU 3 -15.409 -2.605 -2.605 27 1HB LEU 3 1HB LEU 3 -17.258 -4.254 -4.254 28 2HB LEU 3 2HB LEU 3 -16.845 -2.581 -2.581 29 HG LEU 3 HG LEU 3 -18.163 -1.735 -1.735 30 1HD1 LEU 3 1HD1 LEU 3 -17.165 -3.193 -3.193 31 2HD1 LEU 3 2HD1 LEU 3 -18.203 -4.540 -4.540 32 3HD1 LEU 3 3HD1 LEU 3 -18.932 -3.061 -3.061 33 1HD2 LEU 3 1HD2 LEU 3 -19.562 -4.268 -4.268 34 2HD2 LEU 3 2HD2 LEU 3 -19.763 -2.608 -2.608 35 3HD2 LEU 3 3HD2 LEU 3 -20.404 -3.078 -3.078 36 H LEU 4 H LEU 4 -13.224 -3.686 -3.686 37 HA LEU 4 HA LEU 4 -12.344 -3.441 -3.441 38 1HB LEU 4 1HB LEU 4 -11.835 -5.692 -5.692 39 2HB LEU 4 2HB LEU 4 -10.351 -5.039 -5.039 40 HG LEU 4 HG LEU 4 -11.168 -5.496 -5.496 41 1HD1 LEU 4 1HD1 LEU 4 -13.714 -6.210 -6.210 42 2HD1 LEU 4 2HD1 LEU 4 -13.287 -7.231 -7.231 43 3HD1 LEU 4 3HD1 LEU 4 -13.503 -5.484 -5.484 44 1HD2 LEU 4 1HD2 LEU 4 -11.031 -7.807 -7.807 45 2HD2 LEU 4 2HD2 LEU 4 -9.812 -7.307 -7.307 46 3HD2 LEU 4 3HD2 LEU 4 -11.292 -8.137 -8.137 47 H SER 5 H SER 5 -9.670 -3.531 -3.531 48 HA SER 5 HA SER 5 -9.196 -1.052 -1.052 49 1HB SER 5 1HB SER 5 -7.010 -0.897 -0.897 50 2HB SER 5 2HB SER 5 -8.195 -1.209 -1.209 51 HG SER 5 HG SER 5 -7.556 -3.558 -3.558 52 H SER 6 H SER 6 -9.764 -3.796 -3.796 53 HA SER 6 HA SER 6 -7.482 -3.543 -3.543 54 1HB SER 6 1HB SER 6 -7.815 -5.799 -5.799 55 2HB SER 6 2HB SER 6 -8.747 -6.284 -6.284 56 HG SER 6 HG SER 6 -6.640 -5.323 -5.323 57 H ILE 7 H ILE 7 -8.081 -4.790 -4.790 58 HA ILE 7 HA ILE 7 -10.394 -5.010 -5.010 59 HB ILE 7 HB ILE 7 -10.509 -2.226 -2.226 60 1HG1 ILE 7 1HG1 ILE 7 -12.351 -3.922 -3.922 61 2HG1 ILE 7 2HG1 ILE 7 -12.934 -2.435 -2.435 62 1HG2 ILE 7 1HG2 ILE 7 -9.918 -1.611 -1.611 63 2HG2 ILE 7 2HG2 ILE 7 -11.292 -2.585 -2.585 64 3HG2 ILE 7 3HG2 ILE 7 -11.545 -1.127 -1.127 65 1HD1 ILE 7 1HD1 ILE 7 -12.350 -4.633 -4.633 66 2HD1 ILE 7 2HD1 ILE 7 -13.773 -4.825 -4.825 67 3HD1 ILE 7 3HD1 ILE 7 -13.628 -3.406 -3.406 68 H GLU 8 H GLU 8 -10.307 -4.445 -4.445 69 HA GLU 8 HA GLU 8 -8.021 -4.409 -4.409 70 1HB GLU 8 1HB GLU 8 -10.733 -3.495 -3.495 71 2HB GLU 8 2HB GLU 8 -9.751 -2.180 -2.180 72 1HG GLU 8 1HG GLU 8 -10.331 -3.632 -3.632 73 2HG GLU 8 2HG GLU 8 -8.608 -3.772 -3.772 74 H GLN 9 H GLN 9 -6.303 -3.663 -3.663 75 HA GLN 9 HA GLN 9 -6.198 -0.820 -0.820 76 1HB GLN 9 1HB GLN 9 -4.104 -1.455 -1.455 77 2HB GLN 9 2HB GLN 9 -5.197 -2.824 -2.824 78 1HG GLN 9 1HG GLN 9 -3.642 -3.218 -3.218 79 2HG GLN 9 2HG GLN 9 -2.527 -2.784 -2.784 80 1HE2 GLN 9 1HE2 GLN 9 -3.946 -6.544 -6.544 81 2HE2 GLN 9 2HE2 GLN 9 -4.407 -5.226 -5.226 82 H ALA 10 H ALA 10 -4.300 0.489 0.489 83 HA ALA 10 HA ALA 10 -2.805 0.000 0.000 84 1HB ALA 10 1HB ALA 10 -4.790 1.297 1.297 85 2HB ALA 10 2HB ALA 10 -4.487 2.574 2.574 86 3HB ALA 10 3HB ALA 10 -3.339 2.310 2.310 87 H CYS 11 H CYS 11 -0.651 0.700 0.700 88 HA CYS 11 HA CYS 11 -0.021 1.215 1.215 89 1HB CYS 11 1HB CYS 11 2.358 1.178 1.178 90 2HB CYS 11 2HB CYS 11 1.450 -0.092 -0.092 91 H ASP 12 H ASP 12 1.655 2.849 2.849 92 HA ASP 12 HA ASP 12 0.402 5.442 5.442 93 1HB ASP 12 1HB ASP 12 2.296 4.526 4.526 94 2HB ASP 12 2HB ASP 12 3.438 5.042 5.042 95 H ILE 13 H ILE 13 3.010 4.119 4.119 96 HA ILE 13 HA ILE 13 3.710 6.675 6.675 97 HB ILE 13 HB ILE 13 4.223 3.747 3.747 98 1HG1 ILE 13 1HG1 ILE 13 5.903 4.596 4.596 99 2HG1 ILE 13 2HG1 ILE 13 6.667 4.619 4.619 100 1HG2 ILE 13 1HG2 ILE 13 3.727 4.895 4.895 101 2HG2 ILE 13 2HG2 ILE 13 5.125 5.955 5.955 102 3HG2 ILE 13 3HG2 ILE 13 5.322 4.199 4.199 103 1HD1 ILE 13 1HD1 ILE 13 5.917 7.129 7.129 104 2HD1 ILE 13 2HD1 ILE 13 5.708 7.052 7.052 105 3HD1 ILE 13 3HD1 ILE 13 7.304 6.745 6.745 106 H CYS 14 H CYS 14 1.269 4.376 4.376 107 HA CYS 14 HA CYS 14 0.749 5.761 5.761 108 1HB CYS 14 1HB CYS 14 -0.683 3.501 3.501 109 2HB CYS 14 2HB CYS 14 -1.407 4.223 4.223 110 H ARG 15 H ARG 15 -0.557 5.814 5.814 111 HA ARG 15 HA ARG 15 -2.654 7.686 7.686 112 1HB ARG 15 1HB ARG 15 -2.562 7.502 7.502 113 2HB ARG 15 2HB ARG 15 -0.981 6.753 6.753 114 1HG ARG 15 1HG ARG 15 -0.120 9.358 9.358 115 2HG ARG 15 2HG ARG 15 -1.697 9.697 9.697 116 1HD ARG 15 1HD ARG 15 0.156 7.568 7.568 117 2HD ARG 15 2HD ARG 15 0.374 9.301 9.301 118 HE ARG 15 HE ARG 15 -1.990 7.586 7.586 119 1HH1 ARG 15 1HH1 ARG 15 -0.635 10.782 10.782 120 2HH1 ARG 15 2HH1 ARG 15 -1.835 11.387 11.387 121 1HH2 ARG 15 1HH2 ARG 15 -3.254 8.311 8.311 122 2HH2 ARG 15 2HH2 ARG 15 -3.260 10.048 10.048 123 H LEU 16 H LEU 16 0.773 8.502 8.502 124 HA LEU 16 HA LEU 16 0.192 11.408 11.408 125 1HB LEU 16 1HB LEU 16 2.806 9.764 9.764 126 2HB LEU 16 2HB LEU 16 2.810 11.516 11.516 127 HG LEU 16 HG LEU 16 1.863 9.753 9.753 128 1HD1 LEU 16 1HD1 LEU 16 4.400 10.068 10.068 129 2HD1 LEU 16 2HD1 LEU 16 4.176 11.806 11.806 130 3HD1 LEU 16 3HD1 LEU 16 3.788 10.682 10.682 131 1HD2 LEU 16 1HD2 LEU 16 0.414 11.827 11.827 132 2HD2 LEU 16 2HD2 LEU 16 1.370 11.864 11.864 133 3HD2 LEU 16 3HD2 LEU 16 1.868 12.838 12.838 134 H LYS 17 H LYS 17 1.686 9.091 9.091 135 HA LYS 17 HA LYS 17 2.319 11.265 11.265 136 1HB LYS 17 1HB LYS 17 2.487 8.176 8.176 137 2HB LYS 17 2HB LYS 17 3.121 9.302 9.302 138 1HG LYS 17 1HG LYS 17 4.113 9.788 9.788 139 2HG LYS 17 2HG LYS 17 4.570 8.227 8.227 140 1HD LYS 17 1HD LYS 17 5.986 9.234 9.234 141 2HD LYS 17 2HD LYS 17 4.982 10.690 10.690 142 1HE LYS 17 1HE LYS 17 6.422 10.070 10.070 143 2HE LYS 17 2HE LYS 17 7.294 10.884 10.884 144 1HZ LYS 17 1HZ LYS 17 5.517 12.549 12.549 145 2HZ LYS 17 2HZ LYS 17 4.730 11.802 11.802 146 3HZ LYS 17 3HZ LYS 17 6.249 12.487 12.487 147 H LYS 18 H LYS 18 -0.340 9.320 9.320 148 HA LYS 18 HA LYS 18 -2.363 8.906 8.906 149 1HB LYS 18 1HB LYS 18 -1.452 11.420 11.420 150 2HB LYS 18 2HB LYS 18 -2.853 10.486 10.486 151 1HG LYS 18 1HG LYS 18 -4.163 11.305 11.305 152 2HG LYS 18 2HG LYS 18 -2.894 11.015 11.015 153 1HD LYS 18 1HD LYS 18 -3.203 13.361 13.361 154 2HD LYS 18 2HD LYS 18 -1.802 13.222 13.222 155 1HE LYS 18 1HE LYS 18 -3.778 14.742 14.742 156 2HE LYS 18 2HE LYS 18 -3.125 13.575 13.575 157 1HZ LYS 18 1HZ LYS 18 -5.350 12.791 12.791 158 2HZ LYS 18 2HZ LYS 18 -5.641 13.658 13.658 159 3HZ LYS 18 3HZ LYS 18 -4.903 12.149 12.149 160 H LEU 19 H LEU 19 -1.333 6.996 6.996 161 HA LEU 19 HA LEU 19 -0.609 6.568 6.568 162 1HB LEU 19 1HB LEU 19 0.954 5.888 5.888 163 2HB LEU 19 2HB LEU 19 0.883 4.612 4.612 164 HG LEU 19 HG LEU 19 2.290 5.705 5.705 165 1HD1 LEU 19 1HD1 LEU 19 0.765 7.857 7.857 166 2HD1 LEU 19 2HD1 LEU 19 1.859 8.489 8.489 167 3HD1 LEU 19 3HD1 LEU 19 2.496 8.081 8.081 168 1HD2 LEU 19 1HD2 LEU 19 3.269 5.565 5.565 169 2HD2 LEU 19 2HD2 LEU 19 4.236 6.152 6.152 170 3HD2 LEU 19 3HD2 LEU 19 3.467 7.315 7.315 171 H LYS 20 H LYS 20 -0.571 4.276 4.276 172 HA LYS 20 HA LYS 20 -3.045 2.946 2.946 173 1HB LYS 20 1HB LYS 20 -1.322 1.540 1.540 174 2HB LYS 20 2HB LYS 20 -3.073 1.629 1.629 175 1HG LYS 20 1HG LYS 20 -3.174 3.763 3.763 176 2HG LYS 20 2HG LYS 20 -1.546 4.218 4.218 177 1HD LYS 20 1HD LYS 20 -1.165 3.779 3.779 178 2HD LYS 20 2HD LYS 20 -0.912 2.127 2.127 179 1HE LYS 20 1HE LYS 20 -3.806 2.909 2.909 180 2HE LYS 20 2HE LYS 20 -2.765 2.703 2.703 181 1HZ LYS 20 1HZ LYS 20 -2.442 0.650 0.650 182 2HZ LYS 20 2HZ LYS 20 -3.953 0.689 0.689 183 3HZ LYS 20 3HZ LYS 20 -2.566 0.519 0.519 184 H CYS 21 H CYS 21 -3.120 0.838 0.838 185 HA CYS 21 HA CYS 21 -0.460 -0.066 -0.066 186 1HB CYS 21 1HB CYS 21 -1.993 1.554 1.554 187 2HB CYS 21 2HB CYS 21 -3.012 0.128 0.128 188 H SER 22 H SER 22 -0.824 -1.592 -1.592 189 HA SER 22 HA SER 22 -2.539 -3.815 -3.815 190 1HB SER 22 1HB SER 22 -0.420 -5.260 -5.260 191 2HB SER 22 2HB SER 22 -0.771 -3.930 -3.930 192 HG SER 22 HG SER 22 0.921 -2.811 -2.811 193 H LYS 23 H LYS 23 -0.547 -2.929 -2.929 194 HA LYS 23 HA LYS 23 -0.623 -3.793 -3.793 195 1HB LYS 23 1HB LYS 23 -2.641 -5.785 -5.785 196 2HB LYS 23 2HB LYS 23 -2.288 -5.729 -5.729 197 1HG LYS 23 1HG LYS 23 -3.881 -4.072 -4.072 198 2HG LYS 23 2HG LYS 23 -2.855 -2.995 -2.995 199 1HD LYS 23 1HD LYS 23 -4.016 -4.048 -4.048 200 2HD LYS 23 2HD LYS 23 -5.127 -4.844 -4.844 201 1HE LYS 23 1HE LYS 23 -5.020 -2.135 -2.135 202 2HE LYS 23 2HE LYS 23 -5.060 -1.962 -1.962 203 1HZ LYS 23 1HZ LYS 23 -6.846 -4.007 -4.007 204 2HZ LYS 23 2HZ LYS 23 -7.203 -2.470 -2.470 205 3HZ LYS 23 3HZ LYS 23 -7.129 -2.745 -2.745 206 H GLU 24 H GLU 24 0.544 -5.627 -5.627 207 HA GLU 24 HA GLU 24 1.622 -7.921 -7.921 208 1HB GLU 24 1HB GLU 24 3.930 -7.249 -7.249 209 2HB GLU 24 2HB GLU 24 2.547 -7.657 -7.657 210 1HG GLU 24 1HG GLU 24 2.108 -5.187 -5.187 211 2HG GLU 24 2HG GLU 24 3.430 -4.742 -4.742 212 H LYS 25 H LYS 25 3.580 -8.412 -8.412 213 HA LYS 25 HA LYS 25 4.233 -6.340 -6.340 214 1HB LYS 25 1HB LYS 25 3.113 -9.176 -9.176 215 2HB LYS 25 2HB LYS 25 3.737 -8.106 -8.106 216 1HG LYS 25 1HG LYS 25 1.783 -6.801 -6.801 217 2HG LYS 25 2HG LYS 25 1.622 -6.830 -6.830 218 1HD LYS 25 1HD LYS 25 0.861 -9.365 -9.365 219 2HD LYS 25 2HD LYS 25 0.681 -8.862 -8.862 220 1HE LYS 25 1HE LYS 25 -1.305 -7.780 -7.780 221 2HE LYS 25 2HE LYS 25 -0.520 -6.757 -6.757 222 1HZ LYS 25 1HZ LYS 25 -1.135 -9.564 -9.564 223 2HZ LYS 25 2HZ LYS 25 -2.349 -8.401 -8.401 224 3HZ LYS 25 3HZ LYS 25 -0.985 -8.232 -8.232 225 HA PRO 26 HA PRO 26 5.212 -6.635 -6.635 226 1HB PRO 26 1HB PRO 26 7.543 -5.283 -5.283 227 2HB PRO 26 2HB PRO 26 7.242 -7.064 -7.064 228 1HG PRO 26 1HG PRO 26 8.558 -6.183 -6.183 229 2HG PRO 26 2HG PRO 26 9.290 -7.084 -7.084 230 1HD PRO 26 1HD PRO 26 8.230 -8.259 -8.259 231 2HD PRO 26 2HD PRO 26 7.725 -8.894 -8.894 232 H LYS 27 H LYS 27 7.378 -5.402 -5.402 233 HA LYS 27 HA LYS 27 5.754 -2.820 -2.820 234 1HB LYS 27 1HB LYS 27 7.809 -2.427 -2.427 235 2HB LYS 27 2HB LYS 27 7.838 -1.877 -1.877 236 1HG LYS 27 1HG LYS 27 8.787 -4.359 -4.359 237 2HG LYS 27 2HG LYS 27 9.117 -4.407 -4.407 238 1HD LYS 27 1HD LYS 27 10.125 -1.888 -1.888 239 2HD LYS 27 2HD LYS 27 10.662 -3.252 -3.252 240 1HE LYS 27 1HE LYS 27 11.771 -4.369 -4.369 241 2HE LYS 27 2HE LYS 27 10.867 -3.475 -3.475 242 1HZ LYS 27 1HZ LYS 27 11.966 -1.415 -1.415 243 2HZ LYS 27 2HZ LYS 27 12.975 -2.410 -2.410 244 3HZ LYS 27 3HZ LYS 27 12.984 -2.509 -2.509 245 H CYS 28 H CYS 28 4.428 -2.210 -2.210 246 HA CYS 28 HA CYS 28 3.554 -3.939 -3.939 247 1HB CYS 28 1HB CYS 28 2.763 -1.649 -1.649 248 2HB CYS 28 2HB CYS 28 2.069 -2.167 -2.167 249 H ALA 29 H ALA 29 3.543 -2.854 -2.854 250 HA ALA 29 HA ALA 29 6.246 -3.127 -3.127 251 1HB ALA 29 1HB ALA 29 4.078 -3.392 -3.392 252 2HB ALA 29 2HB ALA 29 3.719 -1.663 -1.663 253 3HB ALA 29 3HB ALA 29 5.115 -2.168 -2.168 254 H LYS 30 H LYS 30 4.242 -0.392 -0.392 255 HA LYS 30 HA LYS 30 5.848 1.791 1.791 256 1HB LYS 30 1HB LYS 30 3.592 1.400 1.400 257 2HB LYS 30 2HB LYS 30 4.758 1.900 1.900 258 1HG LYS 30 1HG LYS 30 3.187 3.632 3.632 259 2HG LYS 30 2HG LYS 30 4.568 4.113 4.113 260 1HD LYS 30 1HD LYS 30 5.397 4.945 4.945 261 2HD LYS 30 2HD LYS 30 5.788 3.270 3.270 262 1HE LYS 30 1HE LYS 30 2.898 3.800 3.800 263 2HE LYS 30 2HE LYS 30 3.890 4.978 4.978 264 1HZ LYS 30 1HZ LYS 30 5.285 2.754 2.754 265 2HZ LYS 30 2HZ LYS 30 3.742 2.097 2.097 266 3HZ LYS 30 3HZ LYS 30 4.055 3.304 3.304 267 H CYS 31 H CYS 31 5.973 0.620 0.620 268 HA CYS 31 HA CYS 31 8.249 2.320 2.320 269 1HB CYS 31 1HB CYS 31 7.266 -0.219 -0.219 270 2HB CYS 31 2HB CYS 31 8.345 0.999 0.999 271 H LEU 32 H LEU 32 8.047 -1.002 -1.002 272 HA LEU 32 HA LEU 32 10.927 -1.561 -1.561 273 1HB LEU 32 1HB LEU 32 9.231 -3.387 -3.387 274 2HB LEU 32 2HB LEU 32 8.863 -2.712 -2.712 275 HG LEU 32 HG LEU 32 10.409 -4.865 -4.865 276 1HD1 LEU 32 1HD1 LEU 32 9.808 -3.678 -3.678 277 2HD1 LEU 32 2HD1 LEU 32 11.265 -2.693 -2.693 278 3HD1 LEU 32 3HD1 LEU 32 11.407 -4.463 -4.463 279 1HD2 LEU 32 1HD2 LEU 32 12.085 -3.682 -3.682 280 2HD2 LEU 32 2HD2 LEU 32 12.849 -4.364 -4.364 281 3HD2 LEU 32 3HD2 LEU 32 12.525 -2.617 -2.617 282 H LYS 33 H LYS 33 9.106 0.106 0.106 283 HA LYS 33 HA LYS 33 11.287 0.020 0.020 284 1HB LYS 33 1HB LYS 33 8.707 1.723 1.723 285 2HB LYS 33 2HB LYS 33 9.837 1.944 1.944 286 1HG LYS 33 1HG LYS 33 8.523 -0.798 -0.798 287 2HG LYS 33 2HG LYS 33 7.773 0.391 0.391 288 1HD LYS 33 1HD LYS 33 9.194 -0.171 -0.171 289 2HD LYS 33 2HD LYS 33 10.624 -0.277 -0.277 290 1HE LYS 33 1HE LYS 33 9.566 -2.466 -2.466 291 2HE LYS 33 2HE LYS 33 8.409 -2.429 -2.429 292 1HZ LYS 33 1HZ LYS 33 11.299 -2.173 -2.173 293 2HZ LYS 33 2HZ LYS 33 10.608 -3.683 -3.683 294 3HZ LYS 33 3HZ LYS 33 10.064 -2.720 -2.720 295 H ASN 34 H ASN 34 10.375 2.024 2.024 296 HA ASN 34 HA ASN 34 12.560 4.010 4.010 297 1HB ASN 34 1HB ASN 34 9.774 4.357 4.357 298 2HB ASN 34 2HB ASN 34 11.001 5.471 5.471 299 1HD2 ASN 34 1HD2 ASN 34 9.254 6.091 6.091 300 2HD2 ASN 34 2HD2 ASN 34 8.914 4.547 4.547 301 H ASN 35 H ASN 35 12.360 1.467 1.467 302 HA ASN 35 HA ASN 35 12.986 0.881 0.881 303 1HB ASN 35 1HB ASN 35 15.243 1.364 1.364 304 2HB ASN 35 2HB ASN 35 14.963 3.093 3.093 305 1HD2 ASN 35 1HD2 ASN 35 15.388 2.155 2.155 306 2HD2 ASN 35 2HD2 ASN 35 14.016 1.367 1.367 307 H TRP 36 H TRP 36 11.083 1.412 1.412 308 HA TRP 36 HA TRP 36 11.211 3.993 3.993 309 1HB TRP 36 1HB TRP 36 8.902 2.760 2.760 310 2HB TRP 36 2HB TRP 36 8.533 3.867 3.867 311 HD1 TRP 36 HD1 TRP 36 11.449 5.604 5.604 312 HE1 TRP 36 HE1 TRP 36 11.099 7.491 7.491 313 HE3 TRP 36 HE3 TRP 36 7.064 3.786 3.786 314 HZ2 TRP 36 HZ2 TRP 36 9.015 7.985 7.985 315 HZ3 TRP 36 HZ3 TRP 36 6.011 4.909 4.909 316 HH2 TRP 36 HH2 TRP 36 6.930 7.006 7.006 317 H GLU 37 H GLU 37 9.392 3.949 3.949 318 HA GLU 37 HA GLU 37 9.651 1.249 1.249 319 1HB GLU 37 1HB GLU 37 10.481 3.638 3.638 320 2HB GLU 37 2HB GLU 37 8.797 3.914 3.914 321 1HG GLU 37 1HG GLU 37 9.323 3.009 3.009 322 2HG GLU 37 2HG GLU 37 9.122 1.460 1.460 323 H CYS 38 H CYS 38 7.941 0.881 0.881 324 HA CYS 38 HA CYS 38 5.230 1.414 1.414 325 1HB CYS 38 1HB CYS 38 6.353 -0.420 -0.420 326 2HB CYS 38 2HB CYS 38 6.369 -1.483 -1.483 327 H ARG 39 H ARG 39 4.420 2.165 2.165 328 HA ARG 39 HA ARG 39 4.562 0.390 0.390 329 1HB ARG 39 1HB ARG 39 5.625 2.623 2.623 330 2HB ARG 39 2HB ARG 39 4.219 3.445 3.445 331 1HG ARG 39 1HG ARG 39 2.891 2.973 2.973 332 2HG ARG 39 2HG ARG 39 4.027 1.741 1.741 333 1HD ARG 39 1HD ARG 39 5.535 4.223 4.223 334 2HD ARG 39 2HD ARG 39 4.027 4.610 4.610 335 HE ARG 39 HE ARG 39 4.888 2.211 2.211 336 1HH1 ARG 39 1HH1 ARG 39 6.371 5.318 5.318 337 2HH1 ARG 39 2HH1 ARG 39 7.404 5.131 5.131 338 1HH2 ARG 39 1HH2 ARG 39 6.037 2.079 2.079 339 2HH2 ARG 39 2HH2 ARG 39 7.228 3.371 3.371 340 H TYR 40 H TYR 40 2.852 -0.759 -0.759 341 HA TYR 40 HA TYR 40 0.220 0.335 0.335 342 1HB TYR 40 1HB TYR 40 -0.951 -1.496 -1.496 343 2HB TYR 40 2HB TYR 40 -0.382 -0.090 -0.090 344 HD1 TYR 40 HD1 TYR 40 2.171 -2.671 -2.671 345 HD2 TYR 40 HD2 TYR 40 -0.805 -1.577 -1.577 346 HE1 TYR 40 HE1 TYR 40 3.271 -4.090 -4.090 347 HE2 TYR 40 HE2 TYR 40 0.475 -2.774 -2.774 348 HH TYR 40 HH TYR 40 2.591 -3.419 -3.419 349 H SER 41 H SER 41 1.663 -0.442 -0.442 350 HA SER 41 HA SER 41 1.264 -3.456 -3.456 351 1HB SER 41 1HB SER 41 3.237 -2.259 -2.259 352 2HB SER 41 2HB SER 41 3.432 -3.645 -3.645 353 HG SER 41 HG SER 41 4.189 -1.027 -1.027 354 HA PRO 42 HA PRO 42 -1.042 -2.759 -2.759 355 1HB PRO 42 1HB PRO 42 -0.667 -5.085 -5.085 356 2HB PRO 42 2HB PRO 42 -1.376 -5.086 -5.086 357 1HG PRO 42 1HG PRO 42 1.611 -5.388 -5.388 358 2HG PRO 42 2HG PRO 42 0.454 -6.566 -6.566 359 1HD PRO 42 1HD PRO 42 2.272 -4.625 -4.625 360 2HD PRO 42 2HD PRO 42 0.727 -5.109 -5.109 361 H LYS 43 H LYS 43 0.135 -4.563 -4.563 362 HA LYS 43 HA LYS 43 2.535 -2.873 -2.873 363 1HB LYS 43 1HB LYS 43 1.325 -2.549 -2.549 364 2HB LYS 43 2HB LYS 43 1.121 -1.370 -1.370 365 1HG LYS 43 1HG LYS 43 -1.063 -2.560 -2.560 366 2HG LYS 43 2HG LYS 43 -0.839 -3.688 -3.688 367 1HD LYS 43 1HD LYS 43 -0.898 -1.588 -1.588 368 2HD LYS 43 2HD LYS 43 -1.346 -0.646 -0.646 369 1HE LYS 43 1HE LYS 43 -2.911 -3.048 -3.048 370 2HE LYS 43 2HE LYS 43 -3.457 -1.365 -1.365 371 1HZ LYS 43 1HZ LYS 43 -2.831 -1.865 -1.865 372 2HZ LYS 43 2HZ LYS 43 -3.446 -3.348 -3.348 373 3HZ LYS 43 3HZ LYS 43 -4.373 -1.954 -1.954 Start of MODEL 11 1 1H MET 1 1H MET 1 -22.407 -6.629 -6.629 2 2H MET 1 2H MET 1 -23.804 -5.961 -5.961 3 3H MET 1 3H MET 1 -23.437 -7.579 -7.579 4 HA MET 1 HA MET 1 -22.466 -7.037 -7.037 5 1HB MET 1 1HB MET 1 -22.509 -4.086 -4.086 6 2HB MET 1 2HB MET 1 -22.259 -4.644 -4.644 7 1HG MET 1 1HG MET 1 -24.642 -5.562 -5.562 8 2HG MET 1 2HG MET 1 -24.882 -4.942 -4.942 9 1HE MET 1 1HE MET 1 -26.008 -4.750 -4.750 10 2HE MET 1 2HE MET 1 -26.757 -3.123 -3.123 11 3HE MET 1 3HE MET 1 -25.335 -3.465 -3.465 12 H LYS 2 H LYS 2 -20.543 -7.375 -7.375 13 HA LYS 2 HA LYS 2 -18.302 -5.913 -5.913 14 1HB LYS 2 1HB LYS 2 -18.640 -8.966 -8.966 15 2HB LYS 2 2HB LYS 2 -17.019 -8.287 -8.287 16 1HG LYS 2 1HG LYS 2 -17.865 -6.984 -6.984 17 2HG LYS 2 2HG LYS 2 -19.182 -8.156 -8.156 18 1HD LYS 2 1HD LYS 2 -16.231 -8.480 -8.480 19 2HD LYS 2 2HD LYS 2 -17.632 -9.210 -9.210 20 1HE LYS 2 1HE LYS 2 -16.683 -10.001 -10.001 21 2HE LYS 2 2HE LYS 2 -16.280 -10.917 -10.917 22 1HZ LYS 2 1HZ LYS 2 -19.019 -10.486 -10.486 23 2HZ LYS 2 2HZ LYS 2 -18.687 -10.932 -10.932 24 3HZ LYS 2 3HZ LYS 2 -18.214 -11.928 -11.928 25 H LEU 3 H LEU 3 -19.502 -5.430 -5.430 26 HA LEU 3 HA LEU 3 -17.056 -5.988 -5.988 27 1HB LEU 3 1HB LEU 3 -20.023 -6.178 -6.178 28 2HB LEU 3 2HB LEU 3 -19.016 -5.437 -5.437 29 HG LEU 3 HG LEU 3 -17.613 -7.508 -7.508 30 1HD1 LEU 3 1HD1 LEU 3 -19.486 -8.477 -8.477 31 2HD1 LEU 3 2HD1 LEU 3 -18.639 -9.623 -9.623 32 3HD1 LEU 3 3HD1 LEU 3 -17.707 -8.498 -8.498 33 1HD2 LEU 3 1HD2 LEU 3 -19.937 -7.149 -7.149 34 2HD2 LEU 3 2HD2 LEU 3 -19.168 -8.760 -8.760 35 3HD2 LEU 3 3HD2 LEU 3 -20.529 -8.434 -8.434 36 H LEU 4 H LEU 4 -16.776 -4.069 -4.069 37 HA LEU 4 HA LEU 4 -17.353 -1.605 -1.605 38 1HB LEU 4 1HB LEU 4 -16.321 -1.558 -1.558 39 2HB LEU 4 2HB LEU 4 -17.008 -0.226 -0.226 40 HG LEU 4 HG LEU 4 -19.195 -1.895 -1.895 41 1HD1 LEU 4 1HD1 LEU 4 -17.742 -3.560 -3.560 42 2HD1 LEU 4 2HD1 LEU 4 -17.956 -2.400 -2.400 43 3HD1 LEU 4 3HD1 LEU 4 -19.374 -3.173 -3.173 44 1HD2 LEU 4 1HD2 LEU 4 -18.267 0.338 0.338 45 2HD2 LEU 4 2HD2 LEU 4 -19.722 0.248 0.248 46 3HD2 LEU 4 3HD2 LEU 4 -19.660 -0.613 -0.613 47 H SER 5 H SER 5 -15.889 -1.498 -1.498 48 HA SER 5 HA SER 5 -12.990 -1.771 -1.771 49 1HB SER 5 1HB SER 5 -13.244 -0.544 -0.544 50 2HB SER 5 2HB SER 5 -12.660 -2.156 -2.156 51 HG SER 5 HG SER 5 -14.896 -1.476 -1.476 52 H SER 6 H SER 6 -11.455 -0.112 -0.112 53 HA SER 6 HA SER 6 -12.230 2.710 2.710 54 1HB SER 6 1HB SER 6 -12.727 1.344 1.344 55 2HB SER 6 2HB SER 6 -11.213 2.183 2.183 56 HG SER 6 HG SER 6 -12.640 3.984 3.984 57 H ILE 7 H ILE 7 -10.299 3.698 3.698 58 HA ILE 7 HA ILE 7 -7.814 2.758 2.758 59 HB ILE 7 HB ILE 7 -8.735 5.349 5.349 60 1HG1 ILE 7 1HG1 ILE 7 -5.871 4.525 4.525 61 2HG1 ILE 7 2HG1 ILE 7 -7.222 4.804 4.804 62 1HG2 ILE 7 1HG2 ILE 7 -7.485 4.806 4.806 63 2HG2 ILE 7 2HG2 ILE 7 -6.107 5.423 5.423 64 3HG2 ILE 7 3HG2 ILE 7 -7.564 6.434 6.434 65 1HD1 ILE 7 1HD1 ILE 7 -6.319 7.139 7.139 66 2HD1 ILE 7 2HD1 ILE 7 -5.486 6.756 6.756 67 3HD1 ILE 7 3HD1 ILE 7 -7.212 7.155 7.155 68 H GLU 8 H GLU 8 -9.193 1.425 1.425 69 HA GLU 8 HA GLU 8 -7.441 1.471 1.471 70 1HB GLU 8 1HB GLU 8 -9.617 -0.116 -0.116 71 2HB GLU 8 2HB GLU 8 -8.319 -1.260 -1.260 72 1HG GLU 8 1HG GLU 8 -10.084 0.016 0.016 73 2HG GLU 8 2HG GLU 8 -9.094 -1.412 -1.412 74 H GLN 9 H GLN 9 -7.317 -1.396 -1.396 75 HA GLN 9 HA GLN 9 -4.352 -1.353 -1.353 76 1HB GLN 9 1HB GLN 9 -6.370 -3.323 -3.323 77 2HB GLN 9 2HB GLN 9 -5.321 -3.274 -3.274 78 1HG GLN 9 1HG GLN 9 -3.387 -3.377 -3.377 79 2HG GLN 9 2HG GLN 9 -4.696 -4.191 -4.191 80 1HE2 GLN 9 1HE2 GLN 9 -2.389 -6.230 -6.230 81 2HE2 GLN 9 2HE2 GLN 9 -2.158 -4.424 -4.424 82 H ALA 10 H ALA 10 -2.840 -0.899 -0.899 83 HA ALA 10 HA ALA 10 -2.535 -0.153 -0.153 84 1HB ALA 10 1HB ALA 10 -4.822 0.845 0.845 85 2HB ALA 10 2HB ALA 10 -4.430 2.021 2.021 86 3HB ALA 10 3HB ALA 10 -3.609 2.104 2.104 87 H CYS 11 H CYS 11 -0.403 0.660 0.660 88 HA CYS 11 HA CYS 11 0.513 1.102 1.102 89 1HB CYS 11 1HB CYS 11 2.734 1.005 1.005 90 2HB CYS 11 2HB CYS 11 1.753 -0.035 -0.035 91 H ASP 12 H ASP 12 2.246 2.832 2.832 92 HA ASP 12 HA ASP 12 0.760 5.333 5.333 93 1HB ASP 12 1HB ASP 12 2.474 5.437 5.437 94 2HB ASP 12 2HB ASP 12 3.447 4.275 4.275 95 H ILE 13 H ILE 13 3.190 4.213 4.213 96 HA ILE 13 HA ILE 13 3.703 6.893 6.893 97 HB ILE 13 HB ILE 13 4.278 4.023 4.023 98 1HG1 ILE 13 1HG1 ILE 13 5.838 4.757 4.757 99 2HG1 ILE 13 2HG1 ILE 13 6.706 4.760 4.760 100 1HG2 ILE 13 1HG2 ILE 13 3.915 5.473 5.473 101 2HG2 ILE 13 2HG2 ILE 13 5.248 6.486 6.486 102 3HG2 ILE 13 3HG2 ILE 13 5.539 4.764 4.764 103 1HD1 ILE 13 1HD1 ILE 13 5.502 7.385 7.385 104 2HD1 ILE 13 2HD1 ILE 13 7.115 6.825 6.825 105 3HD1 ILE 13 3HD1 ILE 13 6.755 7.139 7.139 106 H CYS 14 H CYS 14 1.277 4.544 4.544 107 HA CYS 14 HA CYS 14 0.415 5.837 5.837 108 1HB CYS 14 1HB CYS 14 -0.694 3.570 3.570 109 2HB CYS 14 2HB CYS 14 -1.730 4.295 4.295 110 H ARG 15 H ARG 15 -0.494 5.933 5.933 111 HA ARG 15 HA ARG 15 -2.649 7.779 7.779 112 1HB ARG 15 1HB ARG 15 -0.412 7.251 7.251 113 2HB ARG 15 2HB ARG 15 -1.222 8.795 8.795 114 1HG ARG 15 1HG ARG 15 -3.389 7.715 7.715 115 2HG ARG 15 2HG ARG 15 -2.867 6.185 6.185 116 1HD ARG 15 1HD ARG 15 -1.742 5.526 5.526 117 2HD ARG 15 2HD ARG 15 -1.238 7.185 7.185 118 HE ARG 15 HE ARG 15 -3.942 5.941 5.941 119 1HH1 ARG 15 1HH1 ARG 15 -1.904 8.735 8.735 120 2HH1 ARG 15 2HH1 ARG 15 -3.024 9.510 9.510 121 1HH2 ARG 15 1HH2 ARG 15 -5.104 6.841 6.841 122 2HH2 ARG 15 2HH2 ARG 15 -4.765 8.487 8.487 123 H LEU 16 H LEU 16 0.794 8.642 8.642 124 HA LEU 16 HA LEU 16 0.156 11.539 11.539 125 1HB LEU 16 1HB LEU 16 2.807 9.976 9.976 126 2HB LEU 16 2HB LEU 16 2.732 11.727 11.727 127 HG LEU 16 HG LEU 16 1.359 10.691 10.691 128 1HD1 LEU 16 1HD1 LEU 16 2.979 8.719 8.719 129 2HD1 LEU 16 2HD1 LEU 16 4.331 9.848 9.848 130 3HD1 LEU 16 3HD1 LEU 16 3.237 9.587 9.587 131 1HD2 LEU 16 1HD2 LEU 16 2.312 13.025 13.025 132 2HD2 LEU 16 2HD2 LEU 16 2.928 12.260 12.260 133 3HD2 LEU 16 3HD2 LEU 16 3.950 12.347 12.347 134 H LYS 17 H LYS 17 1.438 9.141 9.141 135 HA LYS 17 HA LYS 17 1.963 11.234 11.234 136 1HB LYS 17 1HB LYS 17 2.214 8.164 8.164 137 2HB LYS 17 2HB LYS 17 2.369 8.990 8.990 138 1HG LYS 17 1HG LYS 17 4.365 10.213 10.213 139 2HG LYS 17 2HG LYS 17 4.045 9.883 9.883 140 1HD LYS 17 1HD LYS 17 5.608 8.222 8.222 141 2HD LYS 17 2HD LYS 17 4.326 7.301 7.301 142 1HE LYS 17 1HE LYS 17 6.457 7.550 7.550 143 2HE LYS 17 2HE LYS 17 4.992 8.134 8.134 144 1HZ LYS 17 1HZ LYS 17 6.527 10.019 10.019 145 2HZ LYS 17 2HZ LYS 17 7.094 9.627 9.627 146 3HZ LYS 17 3HZ LYS 17 5.565 10.310 10.310 147 H LYS 18 H LYS 18 -0.660 9.331 9.331 148 HA LYS 18 HA LYS 18 -2.722 8.800 8.800 149 1HB LYS 18 1HB LYS 18 -1.999 11.365 11.365 150 2HB LYS 18 2HB LYS 18 -3.299 10.345 10.345 151 1HG LYS 18 1HG LYS 18 -4.727 10.840 10.840 152 2HG LYS 18 2HG LYS 18 -3.398 10.921 10.921 153 1HD LYS 18 1HD LYS 18 -3.252 13.216 13.216 154 2HD LYS 18 2HD LYS 18 -3.360 13.142 13.142 155 1HE LYS 18 1HE LYS 18 -5.418 14.159 14.159 156 2HE LYS 18 2HE LYS 18 -5.728 13.270 13.270 157 1HZ LYS 18 1HZ LYS 18 -5.604 11.961 11.961 158 2HZ LYS 18 2HZ LYS 18 -7.023 12.492 12.492 159 3HZ LYS 18 3HZ LYS 18 -6.110 11.276 11.276 160 H LEU 19 H LEU 19 -1.680 6.922 6.922 161 HA LEU 19 HA LEU 19 -0.979 6.488 6.488 162 1HB LEU 19 1HB LEU 19 0.614 5.838 5.838 163 2HB LEU 19 2HB LEU 19 0.528 4.539 4.539 164 HG LEU 19 HG LEU 19 1.989 5.541 5.541 165 1HD1 LEU 19 1HD1 LEU 19 0.747 8.224 8.224 166 2HD1 LEU 19 2HD1 LEU 19 2.262 8.176 8.176 167 3HD1 LEU 19 3HD1 LEU 19 0.774 7.460 7.460 168 1HD2 LEU 19 1HD2 LEU 19 2.673 6.188 6.188 169 2HD2 LEU 19 2HD2 LEU 19 3.772 5.780 5.780 170 3HD2 LEU 19 3HD2 LEU 19 3.285 7.466 7.466 171 H LYS 20 H LYS 20 -1.421 4.502 4.502 172 HA LYS 20 HA LYS 20 -3.572 2.973 2.973 173 1HB LYS 20 1HB LYS 20 -2.281 1.863 1.863 174 2HB LYS 20 2HB LYS 20 -3.969 1.826 1.826 175 1HG LYS 20 1HG LYS 20 -4.334 4.152 4.152 176 2HG LYS 20 2HG LYS 20 -2.608 4.507 4.507 177 1HD LYS 20 1HD LYS 20 -2.601 4.034 4.034 178 2HD LYS 20 2HD LYS 20 -3.086 2.359 2.359 179 1HE LYS 20 1HE LYS 20 -4.882 3.259 3.259 180 2HE LYS 20 2HE LYS 20 -5.552 3.210 3.210 181 1HZ LYS 20 1HZ LYS 20 -4.616 5.578 5.578 182 2HZ LYS 20 2HZ LYS 20 -4.534 5.550 5.550 183 3HZ LYS 20 3HZ LYS 20 -6.014 5.335 5.335 184 H CYS 21 H CYS 21 -3.472 1.121 1.121 185 HA CYS 21 HA CYS 21 -0.604 0.138 0.138 186 1HB CYS 21 1HB CYS 21 -2.107 1.400 1.400 187 2HB CYS 21 2HB CYS 21 -2.919 -0.163 -0.163 188 H SER 22 H SER 22 -0.827 -1.226 -1.226 189 HA SER 22 HA SER 22 -2.450 -3.492 -3.492 190 1HB SER 22 1HB SER 22 -0.168 -4.829 -4.829 191 2HB SER 22 2HB SER 22 -0.593 -3.534 -3.534 192 HG SER 22 HG SER 22 0.781 -2.140 -2.140 193 H LYS 23 H LYS 23 -0.255 -3.045 -3.045 194 HA LYS 23 HA LYS 23 -0.929 -3.685 -3.685 195 1HB LYS 23 1HB LYS 23 -2.968 -5.380 -5.380 196 2HB LYS 23 2HB LYS 23 -2.707 -5.658 -5.658 197 1HG LYS 23 1HG LYS 23 -3.749 -3.648 -3.648 198 2HG LYS 23 2HG LYS 23 -2.991 -2.739 -2.739 199 1HD LYS 23 1HD LYS 23 -4.757 -3.550 -3.550 200 2HD LYS 23 2HD LYS 23 -5.420 -4.636 -4.636 201 1HE LYS 23 1HE LYS 23 -5.129 -1.611 -1.611 202 2HE LYS 23 2HE LYS 23 -6.563 -2.236 -2.236 203 1HZ LYS 23 1HZ LYS 23 -5.575 -3.290 -3.290 204 2HZ LYS 23 2HZ LYS 23 -6.795 -2.144 -2.144 205 3HZ LYS 23 3HZ LYS 23 -7.012 -3.699 -3.699 206 H GLU 24 H GLU 24 1.429 -4.625 -4.625 207 HA GLU 24 HA GLU 24 1.414 -7.620 -7.620 208 1HB GLU 24 1HB GLU 24 3.645 -7.462 -7.462 209 2HB GLU 24 2HB GLU 24 2.085 -7.423 -7.423 210 1HG GLU 24 1HG GLU 24 2.317 -5.146 -5.146 211 2HG GLU 24 2HG GLU 24 3.467 -4.752 -4.752 212 H LYS 25 H LYS 25 3.496 -8.466 -8.466 213 HA LYS 25 HA LYS 25 4.266 -6.706 -6.706 214 1HB LYS 25 1HB LYS 25 3.807 -9.756 -9.756 215 2HB LYS 25 2HB LYS 25 4.100 -8.680 -8.680 216 1HG LYS 25 1HG LYS 25 1.568 -9.577 -9.577 217 2HG LYS 25 2HG LYS 25 1.862 -8.378 -8.378 218 1HD LYS 25 1HD LYS 25 0.860 -6.784 -6.784 219 2HD LYS 25 2HD LYS 25 1.955 -7.072 -7.072 220 1HE LYS 25 1HE LYS 25 0.009 -7.876 -7.876 221 2HE LYS 25 2HE LYS 25 0.461 -9.383 -9.383 222 1HZ LYS 25 1HZ LYS 25 -1.197 -7.355 -7.355 223 2HZ LYS 25 2HZ LYS 25 -1.875 -8.509 -8.509 224 3HZ LYS 25 3HZ LYS 25 -1.023 -8.992 -8.992 225 HA PRO 26 HA PRO 26 5.582 -6.498 -6.498 226 1HB PRO 26 1HB PRO 26 7.735 -4.798 -4.798 227 2HB PRO 26 2HB PRO 26 7.784 -6.542 -6.542 228 1HG PRO 26 1HG PRO 26 8.598 -5.725 -5.725 229 2HG PRO 26 2HG PRO 26 9.637 -6.399 -6.399 230 1HD PRO 26 1HD PRO 26 8.461 -7.860 -7.860 231 2HD PRO 26 2HD PRO 26 8.324 -8.451 -8.451 232 H LYS 27 H LYS 27 7.255 -5.162 -5.162 233 HA LYS 27 HA LYS 27 5.642 -2.608 -2.608 234 1HB LYS 27 1HB LYS 27 8.063 -2.900 -2.900 235 2HB LYS 27 2HB LYS 27 7.388 -1.421 -1.421 236 1HG LYS 27 1HG LYS 27 8.427 -1.734 -1.734 237 2HG LYS 27 2HG LYS 27 8.394 -3.492 -3.492 238 1HD LYS 27 1HD LYS 27 10.342 -1.484 -1.484 239 2HD LYS 27 2HD LYS 27 10.704 -2.741 -2.741 240 1HE LYS 27 1HE LYS 27 9.407 -3.814 -3.814 241 2HE LYS 27 2HE LYS 27 10.994 -3.084 -3.084 242 1HZ LYS 27 1HZ LYS 27 11.375 -4.500 -4.500 243 2HZ LYS 27 2HZ LYS 27 10.340 -5.492 -5.492 244 3HZ LYS 27 3HZ LYS 27 11.799 -4.994 -4.994 245 H CYS 28 H CYS 28 4.317 -1.825 -1.825 246 HA CYS 28 HA CYS 28 3.351 -3.541 -3.541 247 1HB CYS 28 1HB CYS 28 2.823 -1.213 -1.213 248 2HB CYS 28 2HB CYS 28 1.970 -1.637 -1.637 249 H ALA 29 H ALA 29 3.517 -2.725 -2.725 250 HA ALA 29 HA ALA 29 6.200 -3.123 -3.123 251 1HB ALA 29 1HB ALA 29 4.038 -3.247 -3.247 252 2HB ALA 29 2HB ALA 29 3.819 -1.489 -1.489 253 3HB ALA 29 3HB ALA 29 5.186 -2.134 -2.134 254 H LYS 30 H LYS 30 4.407 -0.223 -0.223 255 HA LYS 30 HA LYS 30 6.203 1.824 1.824 256 1HB LYS 30 1HB LYS 30 3.898 1.557 1.557 257 2HB LYS 30 2HB LYS 30 5.106 2.127 2.127 258 1HG LYS 30 1HG LYS 30 3.513 3.771 3.771 259 2HG LYS 30 2HG LYS 30 4.961 4.291 4.291 260 1HD LYS 30 1HD LYS 30 6.145 4.526 4.526 261 2HD LYS 30 2HD LYS 30 5.473 3.050 3.050 262 1HE LYS 30 1HE LYS 30 3.145 4.532 4.532 263 2HE LYS 30 2HE LYS 30 4.293 5.876 5.876 264 1HZ LYS 30 1HZ LYS 30 4.823 3.631 3.631 265 2HZ LYS 30 2HZ LYS 30 3.441 4.531 4.531 266 3HZ LYS 30 3HZ LYS 30 4.943 5.286 5.286 267 H CYS 31 H CYS 31 6.107 0.782 0.782 268 HA CYS 31 HA CYS 31 8.479 2.327 2.327 269 1HB CYS 31 1HB CYS 31 7.340 -0.113 -0.113 270 2HB CYS 31 2HB CYS 31 8.402 1.115 1.115 271 H LEU 32 H LEU 32 8.101 -0.991 -0.991 272 HA LEU 32 HA LEU 32 10.922 -1.717 -1.717 273 1HB LEU 32 1HB LEU 32 9.022 -3.403 -3.403 274 2HB LEU 32 2HB LEU 32 8.972 -2.860 -2.860 275 HG LEU 32 HG LEU 32 11.480 -4.151 -4.151 276 1HD1 LEU 32 1HD1 LEU 32 9.536 -5.723 -5.723 277 2HD1 LEU 32 2HD1 LEU 32 9.156 -5.573 -5.573 278 3HD1 LEU 32 3HD1 LEU 32 10.684 -6.323 -6.323 279 1HD2 LEU 32 1HD2 LEU 32 10.555 -3.803 -3.803 280 2HD2 LEU 32 2HD2 LEU 32 11.923 -2.984 -2.984 281 3HD2 LEU 32 3HD2 LEU 32 11.991 -4.728 -4.728 282 H LYS 33 H LYS 33 9.289 -0.179 -0.179 283 HA LYS 33 HA LYS 33 11.602 -0.374 -0.374 284 1HB LYS 33 1HB LYS 33 9.141 1.516 1.516 285 2HB LYS 33 2HB LYS 33 10.360 1.666 1.666 286 1HG LYS 33 1HG LYS 33 9.531 -1.139 -1.139 287 2HG LYS 33 2HG LYS 33 8.064 -0.174 -0.174 288 1HD LYS 33 1HD LYS 33 8.170 0.264 0.264 289 2HD LYS 33 2HD LYS 33 9.784 0.983 0.983 290 1HE LYS 33 1HE LYS 33 10.125 -1.897 -1.897 291 2HE LYS 33 2HE LYS 33 9.097 -1.680 -1.680 292 1HZ LYS 33 1HZ LYS 33 11.623 -0.173 -0.173 293 2HZ LYS 33 2HZ LYS 33 11.491 -1.573 -1.573 294 3HZ LYS 33 3HZ LYS 33 10.677 -0.177 -0.177 295 H ASN 34 H ASN 34 10.616 1.662 1.662 296 HA ASN 34 HA ASN 34 12.761 3.705 3.705 297 1HB ASN 34 1HB ASN 34 10.163 3.979 3.979 298 2HB ASN 34 2HB ASN 34 11.218 5.314 5.314 299 1HD2 ASN 34 1HD2 ASN 34 9.367 5.823 5.823 300 2HD2 ASN 34 2HD2 ASN 34 10.305 6.545 6.545 301 H ASN 35 H ASN 35 12.601 1.176 1.176 302 HA ASN 35 HA ASN 35 13.198 0.751 0.751 303 1HB ASN 35 1HB ASN 35 15.456 1.104 1.104 304 2HB ASN 35 2HB ASN 35 15.214 2.815 2.815 305 1HD2 ASN 35 1HD2 ASN 35 15.605 2.372 2.372 306 2HD2 ASN 35 2HD2 ASN 35 14.234 1.474 1.474 307 H TRP 36 H TRP 36 11.202 1.438 1.438 308 HA TRP 36 HA TRP 36 11.311 4.063 4.063 309 1HB TRP 36 1HB TRP 36 9.035 2.835 2.835 310 2HB TRP 36 2HB TRP 36 8.670 3.993 3.993 311 HD1 TRP 36 HD1 TRP 36 11.659 5.603 5.603 312 HE1 TRP 36 HE1 TRP 36 11.480 7.442 7.442 313 HE3 TRP 36 HE3 TRP 36 7.332 3.855 3.855 314 HZ2 TRP 36 HZ2 TRP 36 9.539 7.942 7.942 315 HZ3 TRP 36 HZ3 TRP 36 6.376 5.031 5.031 316 HH2 TRP 36 HH2 TRP 36 7.489 7.008 7.008 317 H GLU 37 H GLU 37 9.434 4.058 4.058 318 HA GLU 37 HA GLU 37 9.794 1.416 1.416 319 1HB GLU 37 1HB GLU 37 10.694 3.655 3.655 320 2HB GLU 37 2HB GLU 37 9.044 4.203 4.203 321 1HG GLU 37 1HG GLU 37 8.527 2.490 2.490 322 2HG GLU 37 2HG GLU 37 10.010 1.620 1.620 323 H CYS 38 H CYS 38 8.077 0.999 0.999 324 HA CYS 38 HA CYS 38 5.354 1.539 1.539 325 1HB CYS 38 1HB CYS 38 6.497 -0.253 -0.253 326 2HB CYS 38 2HB CYS 38 6.497 -1.361 -1.361 327 H ARG 39 H ARG 39 4.731 2.225 2.225 328 HA ARG 39 HA ARG 39 4.622 0.135 0.135 329 1HB ARG 39 1HB ARG 39 4.503 3.154 3.154 330 2HB ARG 39 2HB ARG 39 3.450 2.417 2.417 331 1HG ARG 39 1HG ARG 39 6.274 1.281 1.281 332 2HG ARG 39 2HG ARG 39 6.197 2.991 2.991 333 1HD ARG 39 1HD ARG 39 4.688 2.512 2.512 334 2HD ARG 39 2HD ARG 39 4.540 0.807 0.807 335 HE ARG 39 HE ARG 39 7.212 2.118 2.118 336 1HH1 ARG 39 1HH1 ARG 39 5.086 -0.608 -0.608 337 2HH1 ARG 39 2HH1 ARG 39 6.327 -1.551 -1.551 338 1HH2 ARG 39 1HH2 ARG 39 8.498 1.039 1.039 339 2HH2 ARG 39 2HH2 ARG 39 8.183 -0.660 -0.660 340 H TYR 40 H TYR 40 3.130 -1.183 -1.183 341 HA TYR 40 HA TYR 40 0.335 -0.355 -0.355 342 1HB TYR 40 1HB TYR 40 1.573 -3.139 -3.139 343 2HB TYR 40 2HB TYR 40 -0.137 -2.937 -2.937 344 HD1 TYR 40 HD1 TYR 40 -0.439 -1.314 -1.314 345 HD2 TYR 40 HD2 TYR 40 2.598 -4.209 -4.209 346 HE1 TYR 40 HE1 TYR 40 -0.386 -2.039 -2.039 347 HE2 TYR 40 HE2 TYR 40 2.622 -4.940 -4.940 348 HH TYR 40 HH TYR 40 0.111 -3.919 -3.919 349 H SER 41 H SER 41 2.285 -1.253 -1.253 350 HA SER 41 HA SER 41 1.764 -1.569 -1.569 351 1HB SER 41 1HB SER 41 -0.585 0.334 0.334 352 2HB SER 41 2HB SER 41 0.053 -0.001 -0.001 353 HG SER 41 HG SER 41 0.800 1.905 1.905 354 HA PRO 42 HA PRO 42 -1.431 -4.862 -4.862 355 1HB PRO 42 1HB PRO 42 0.240 -6.914 -6.914 356 2HB PRO 42 2HB PRO 42 0.162 -6.270 -6.270 357 1HG PRO 42 1HG PRO 42 2.093 -5.360 -5.360 358 2HG PRO 42 2HG PRO 42 2.420 -6.079 -6.079 359 1HD PRO 42 1HD PRO 42 2.395 -3.417 -3.417 360 2HD PRO 42 2HD PRO 42 1.629 -3.956 -3.956 361 H LYS 43 H LYS 43 1.033 -5.166 -5.166 362 HA LYS 43 HA LYS 43 -0.738 -4.292 -4.292 363 1HB LYS 43 1HB LYS 43 -1.125 -6.560 -6.560 364 2HB LYS 43 2HB LYS 43 -2.130 -6.256 -6.256 365 1HG LYS 43 1HG LYS 43 -1.406 -8.262 -8.262 366 2HG LYS 43 2HG LYS 43 0.209 -7.579 -7.579 367 1HD LYS 43 1HD LYS 43 0.908 -8.552 -8.552 368 2HD LYS 43 2HD LYS 43 -0.764 -8.806 -8.806 369 1HE LYS 43 1HE LYS 43 -0.107 -11.004 -11.004 370 2HE LYS 43 2HE LYS 43 -1.067 -10.373 -10.373 371 1HZ LYS 43 1HZ LYS 43 1.847 -9.880 -9.880 372 2HZ LYS 43 2HZ LYS 43 1.239 -11.346 -11.346 373 3HZ LYS 43 3HZ LYS 43 0.807 -9.911 -9.911 Start of MODEL 12 1 1H MET 1 1H MET 1 -22.199 -8.856 -8.856 2 2H MET 1 2H MET 1 -22.609 -10.469 -10.469 3 3H MET 1 3H MET 1 -21.129 -10.073 -10.073 4 HA MET 1 HA MET 1 -20.357 -10.429 -10.429 5 1HB MET 1 1HB MET 1 -22.021 -9.729 -9.729 6 2HB MET 1 2HB MET 1 -22.143 -11.289 -11.289 7 1HG MET 1 1HG MET 1 -24.238 -10.841 -10.841 8 2HG MET 1 2HG MET 1 -23.817 -9.164 -9.164 9 1HE MET 1 1HE MET 1 -26.439 -9.572 -9.572 10 2HE MET 1 2HE MET 1 -26.040 -7.857 -7.857 11 3HE MET 1 3HE MET 1 -26.957 -8.811 -8.811 12 H LYS 2 H LYS 2 -19.064 -9.232 -9.232 13 HA LYS 2 HA LYS 2 -17.920 -7.230 -7.230 14 1HB LYS 2 1HB LYS 2 -20.276 -6.863 -6.863 15 2HB LYS 2 2HB LYS 2 -20.647 -5.779 -5.779 16 1HG LYS 2 1HG LYS 2 -19.330 -4.074 -4.074 17 2HG LYS 2 2HG LYS 2 -17.971 -5.156 -5.156 18 1HD LYS 2 1HD LYS 2 -18.907 -5.784 -5.784 19 2HD LYS 2 2HD LYS 2 -20.468 -5.031 -5.031 20 1HE LYS 2 1HE LYS 2 -19.299 -3.376 -3.376 21 2HE LYS 2 2HE LYS 2 -19.207 -2.756 -2.756 22 1HZ LYS 2 1HZ LYS 2 -17.022 -3.962 -3.962 23 2HZ LYS 2 2HZ LYS 2 -17.094 -4.216 -4.216 24 3HZ LYS 2 3HZ LYS 2 -17.051 -2.650 -2.650 25 H LEU 3 H LEU 3 -16.774 -7.223 -7.223 26 HA LEU 3 HA LEU 3 -15.733 -5.894 -5.894 27 1HB LEU 3 1HB LEU 3 -17.758 -3.955 -3.955 28 2HB LEU 3 2HB LEU 3 -17.283 -3.613 -3.613 29 HG LEU 3 HG LEU 3 -16.017 -2.629 -2.629 30 1HD1 LEU 3 1HD1 LEU 3 -15.751 -2.151 -2.151 31 2HD1 LEU 3 2HD1 LEU 3 -14.344 -3.236 -3.236 32 3HD1 LEU 3 3HD1 LEU 3 -14.390 -1.755 -1.755 33 1HD2 LEU 3 1HD2 LEU 3 -15.137 -5.197 -5.197 34 2HD2 LEU 3 2HD2 LEU 3 -14.102 -3.792 -3.792 35 3HD2 LEU 3 3HD2 LEU 3 -13.900 -4.658 -4.658 36 H LEU 4 H LEU 4 -15.613 -6.030 -6.030 37 HA LEU 4 HA LEU 4 -18.219 -6.765 -6.765 38 1HB LEU 4 1HB LEU 4 -15.938 -7.821 -7.821 39 2HB LEU 4 2HB LEU 4 -17.249 -8.707 -8.707 40 HG LEU 4 HG LEU 4 -14.717 -7.839 -7.839 41 1HD1 LEU 4 1HD1 LEU 4 -15.285 -10.259 -10.259 42 2HD1 LEU 4 2HD1 LEU 4 -14.307 -10.503 -10.503 43 3HD1 LEU 4 3HD1 LEU 4 -13.770 -9.348 -9.348 44 1HD2 LEU 4 1HD2 LEU 4 -16.742 -8.409 -8.409 45 2HD2 LEU 4 2HD2 LEU 4 -15.383 -9.509 -9.509 46 3HD2 LEU 4 3HD2 LEU 4 -16.780 -10.037 -10.037 47 H SER 5 H SER 5 -18.891 -5.282 -5.282 48 HA SER 5 HA SER 5 -18.872 -3.361 -3.361 49 1HB SER 5 1HB SER 5 -17.109 -5.334 -5.334 50 2HB SER 5 2HB SER 5 -16.391 -3.759 -3.759 51 HG SER 5 HG SER 5 -18.061 -3.208 -3.208 52 H SER 6 H SER 6 -17.158 -1.715 -1.715 53 HA SER 6 HA SER 6 -15.782 -0.636 -0.636 54 1HB SER 6 1HB SER 6 -16.484 1.698 1.698 55 2HB SER 6 2HB SER 6 -17.779 0.717 0.717 56 HG SER 6 HG SER 6 -17.164 1.272 1.272 57 H ILE 7 H ILE 7 -13.766 -0.784 -0.784 58 HA ILE 7 HA ILE 7 -12.022 0.555 0.555 59 HB ILE 7 HB ILE 7 -13.459 -1.221 -1.221 60 1HG1 ILE 7 1HG1 ILE 7 -13.076 1.322 1.322 61 2HG1 ILE 7 2HG1 ILE 7 -12.811 0.317 0.317 62 1HG2 ILE 7 1HG2 ILE 7 -10.354 -1.391 -1.391 63 2HG2 ILE 7 2HG2 ILE 7 -11.352 -1.847 -1.847 64 3HG2 ILE 7 3HG2 ILE 7 -11.492 -2.744 -2.744 65 1HD1 ILE 7 1HD1 ILE 7 -10.310 0.856 0.856 66 2HD1 ILE 7 2HD1 ILE 7 -11.015 2.226 2.226 67 3HD1 ILE 7 3HD1 ILE 7 -10.531 0.746 0.746 68 H GLU 8 H GLU 8 -9.895 -0.222 -0.222 69 HA GLU 8 HA GLU 8 -9.361 -2.960 -2.960 70 1HB GLU 8 1HB GLU 8 -9.097 -2.486 -2.486 71 2HB GLU 8 2HB GLU 8 -10.752 -2.236 -2.236 72 1HG GLU 8 1HG GLU 8 -8.781 0.136 0.136 73 2HG GLU 8 2HG GLU 8 -9.646 -0.486 -0.486 74 H GLN 9 H GLN 9 -7.415 -3.369 -3.369 75 HA GLN 9 HA GLN 9 -5.559 -1.561 -1.561 76 1HB GLN 9 1HB GLN 9 -5.544 -4.277 -4.277 77 2HB GLN 9 2HB GLN 9 -4.037 -3.474 -3.474 78 1HG GLN 9 1HG GLN 9 -3.247 -4.175 -4.175 79 2HG GLN 9 2HG GLN 9 -4.177 -2.864 -2.864 80 1HE2 GLN 9 1HE2 GLN 9 -6.285 -5.178 -5.178 81 2HE2 GLN 9 2HE2 GLN 9 -5.892 -3.415 -3.415 82 H ALA 10 H ALA 10 -3.715 -0.557 -0.557 83 HA ALA 10 HA ALA 10 -2.693 -0.492 -0.492 84 1HB ALA 10 1HB ALA 10 -4.829 0.684 0.684 85 2HB ALA 10 2HB ALA 10 -4.525 1.932 1.932 86 3HB ALA 10 3HB ALA 10 -3.471 1.808 1.808 87 H CYS 11 H CYS 11 -0.719 0.680 0.680 88 HA CYS 11 HA CYS 11 0.350 1.047 1.047 89 1HB CYS 11 1HB CYS 11 2.538 1.140 1.140 90 2HB CYS 11 2HB CYS 11 1.590 -0.143 -0.143 91 H ASP 12 H ASP 12 1.965 2.785 2.785 92 HA ASP 12 HA ASP 12 0.405 5.275 5.275 93 1HB ASP 12 1HB ASP 12 2.419 4.288 4.288 94 2HB ASP 12 2HB ASP 12 3.408 5.299 5.299 95 H ILE 13 H ILE 13 3.015 4.114 4.114 96 HA ILE 13 HA ILE 13 3.702 6.747 6.747 97 HB ILE 13 HB ILE 13 4.247 3.854 3.854 98 1HG1 ILE 13 1HG1 ILE 13 5.945 4.666 4.666 99 2HG1 ILE 13 2HG1 ILE 13 6.683 4.793 4.793 100 1HG2 ILE 13 1HG2 ILE 13 3.707 5.067 5.067 101 2HG2 ILE 13 2HG2 ILE 13 5.127 6.094 6.094 102 3HG2 ILE 13 3HG2 ILE 13 5.345 4.376 4.376 103 1HD1 ILE 13 1HD1 ILE 13 6.007 7.284 7.284 104 2HD1 ILE 13 2HD1 ILE 13 5.555 7.139 7.139 105 3HD1 ILE 13 3HD1 ILE 13 7.241 6.861 6.861 106 H CYS 14 H CYS 14 1.274 4.443 4.443 107 HA CYS 14 HA CYS 14 0.663 5.844 5.844 108 1HB CYS 14 1HB CYS 14 -0.606 3.481 3.481 109 2HB CYS 14 2HB CYS 14 -1.475 4.239 4.239 110 H ARG 15 H ARG 15 -0.606 5.769 5.769 111 HA ARG 15 HA ARG 15 -2.765 7.587 7.587 112 1HB ARG 15 1HB ARG 15 -0.844 6.843 6.843 113 2HB ARG 15 2HB ARG 15 -1.348 8.515 8.515 114 1HG ARG 15 1HG ARG 15 -3.004 7.347 7.347 115 2HG ARG 15 2HG ARG 15 -3.840 7.564 7.564 116 1HD ARG 15 1HD ARG 15 -2.414 5.105 5.105 117 2HD ARG 15 2HD ARG 15 -2.962 5.065 5.065 118 HE ARG 15 HE ARG 15 -4.762 5.460 5.460 119 1HH1 ARG 15 1HH1 ARG 15 -4.436 4.626 4.626 120 2HH1 ARG 15 2HH1 ARG 15 -6.191 4.066 4.066 121 1HH2 ARG 15 1HH2 ARG 15 -6.648 4.838 4.838 122 2HH2 ARG 15 2HH2 ARG 15 -7.398 4.178 4.178 123 H LEU 16 H LEU 16 0.625 8.493 8.493 124 HA LEU 16 HA LEU 16 -0.015 11.378 11.378 125 1HB LEU 16 1HB LEU 16 2.623 9.786 9.786 126 2HB LEU 16 2HB LEU 16 2.608 11.537 11.537 127 HG LEU 16 HG LEU 16 1.746 9.781 9.781 128 1HD1 LEU 16 1HD1 LEU 16 4.220 10.066 10.066 129 2HD1 LEU 16 2HD1 LEU 16 4.036 11.838 11.838 130 3HD1 LEU 16 3HD1 LEU 16 3.673 10.898 10.898 131 1HD2 LEU 16 1HD2 LEU 16 1.551 12.864 12.864 132 2HD2 LEU 16 2HD2 LEU 16 0.201 11.723 11.723 133 3HD2 LEU 16 3HD2 LEU 16 1.376 11.950 11.950 134 H LYS 17 H LYS 17 1.545 9.163 9.163 135 HA LYS 17 HA LYS 17 2.034 11.393 11.393 136 1HB LYS 17 1HB LYS 17 2.327 8.318 8.318 137 2HB LYS 17 2HB LYS 17 2.834 9.465 9.465 138 1HG LYS 17 1HG LYS 17 3.960 10.069 10.069 139 2HG LYS 17 2HG LYS 17 4.431 8.490 8.490 140 1HD LYS 17 1HD LYS 17 4.809 11.216 11.216 141 2HD LYS 17 2HD LYS 17 6.064 10.336 10.336 142 1HE LYS 17 1HE LYS 17 5.427 8.279 8.279 143 2HE LYS 17 2HE LYS 17 4.729 9.531 9.531 144 1HZ LYS 17 1HZ LYS 17 6.992 10.721 10.721 145 2HZ LYS 17 2HZ LYS 17 7.528 9.162 9.162 146 3HZ LYS 17 3HZ LYS 17 6.876 9.522 9.522 147 H LYS 18 H LYS 18 -0.512 9.302 9.302 148 HA LYS 18 HA LYS 18 -2.504 8.727 8.727 149 1HB LYS 18 1HB LYS 18 -1.873 11.407 11.407 150 2HB LYS 18 2HB LYS 18 -3.197 10.384 10.384 151 1HG LYS 18 1HG LYS 18 -4.192 10.443 10.443 152 2HG LYS 18 2HG LYS 18 -2.854 11.465 11.465 153 1HD LYS 18 1HD LYS 18 -4.575 13.024 13.024 154 2HD LYS 18 2HD LYS 18 -3.746 13.092 13.092 155 1HE LYS 18 1HE LYS 18 -6.388 12.718 12.718 156 2HE LYS 18 2HE LYS 18 -5.406 11.746 11.746 157 1HZ LYS 18 1HZ LYS 18 -5.814 10.712 10.712 158 2HZ LYS 18 2HZ LYS 18 -7.096 10.634 10.634 159 3HZ LYS 18 3HZ LYS 18 -5.635 9.886 9.886 160 H LEU 19 H LEU 19 -1.280 6.966 6.966 161 HA LEU 19 HA LEU 19 -0.580 6.816 6.816 162 1HB LEU 19 1HB LEU 19 0.958 5.857 5.857 163 2HB LEU 19 2HB LEU 19 1.069 4.892 4.892 164 HG LEU 19 HG LEU 19 2.412 6.421 6.421 165 1HD1 LEU 19 1HD1 LEU 19 0.800 8.345 8.345 166 2HD1 LEU 19 2HD1 LEU 19 1.250 8.711 8.711 167 3HD1 LEU 19 3HD1 LEU 19 2.444 8.909 8.909 168 1HD2 LEU 19 1HD2 LEU 19 2.982 7.056 7.056 169 2HD2 LEU 19 2HD2 LEU 19 3.724 5.773 5.773 170 3HD2 LEU 19 3HD2 LEU 19 4.079 7.465 7.465 171 H LYS 20 H LYS 20 -0.168 4.426 4.426 172 HA LYS 20 HA LYS 20 -2.712 2.963 2.963 173 1HB LYS 20 1HB LYS 20 -1.578 1.191 1.191 174 2HB LYS 20 2HB LYS 20 -2.382 2.628 2.628 175 1HG LYS 20 1HG LYS 20 0.489 3.207 3.207 176 2HG LYS 20 2HG LYS 20 0.343 1.809 1.809 177 1HD LYS 20 1HD LYS 20 -0.036 3.216 3.216 178 2HD LYS 20 2HD LYS 20 -1.448 3.924 3.924 179 1HE LYS 20 1HE LYS 20 -0.173 5.652 5.652 180 2HE LYS 20 2HE LYS 20 1.351 4.756 4.756 181 1HZ LYS 20 1HZ LYS 20 0.770 4.955 4.955 182 2HZ LYS 20 2HZ LYS 20 0.027 6.359 6.359 183 3HZ LYS 20 3HZ LYS 20 1.664 6.105 6.105 184 H CYS 21 H CYS 21 -2.848 0.988 0.988 185 HA CYS 21 HA CYS 21 -0.292 0.012 0.012 186 1HB CYS 21 1HB CYS 21 -1.867 1.681 1.681 187 2HB CYS 21 2HB CYS 21 -2.936 0.283 0.283 188 H SER 22 H SER 22 -0.751 -1.410 -1.410 189 HA SER 22 HA SER 22 -2.546 -3.563 -3.563 190 1HB SER 22 1HB SER 22 -0.470 -5.098 -5.098 191 2HB SER 22 2HB SER 22 -0.753 -3.747 -3.747 192 HG SER 22 HG SER 22 1.224 -4.103 -4.103 193 H LYS 23 H LYS 23 -0.286 -2.998 -2.998 194 HA LYS 23 HA LYS 23 -0.818 -3.571 -3.571 195 1HB LYS 23 1HB LYS 23 -2.852 -5.499 -5.499 196 2HB LYS 23 2HB LYS 23 -2.581 -5.475 -5.475 197 1HG LYS 23 1HG LYS 23 -3.886 -3.574 -3.574 198 2HG LYS 23 2HG LYS 23 -3.005 -2.708 -2.708 199 1HD LYS 23 1HD LYS 23 -4.488 -3.980 -3.980 200 2HD LYS 23 2HD LYS 23 -5.391 -4.640 -4.640 201 1HE LYS 23 1HE LYS 23 -5.449 -2.012 -2.012 202 2HE LYS 23 2HE LYS 23 -5.251 -1.725 -1.725 203 1HZ LYS 23 1HZ LYS 23 -7.123 -3.738 -3.738 204 2HZ LYS 23 2HZ LYS 23 -7.537 -2.675 -2.675 205 3HZ LYS 23 3HZ LYS 23 -7.404 -2.116 -2.116 206 H GLU 24 H GLU 24 0.624 -5.445 -5.445 207 HA GLU 24 HA GLU 24 1.431 -7.785 -7.785 208 1HB GLU 24 1HB GLU 24 3.891 -7.165 -7.165 209 2HB GLU 24 2HB GLU 24 2.643 -7.525 -7.525 210 1HG GLU 24 1HG GLU 24 2.351 -5.069 -5.069 211 2HG GLU 24 2HG GLU 24 3.509 -4.643 -4.643 212 H LYS 25 H LYS 25 3.319 -8.344 -8.344 213 HA LYS 25 HA LYS 25 3.696 -6.419 -6.419 214 1HB LYS 25 1HB LYS 25 2.540 -9.289 -9.289 215 2HB LYS 25 2HB LYS 25 3.051 -8.345 -8.345 216 1HG LYS 25 1HG LYS 25 1.302 -6.562 -6.562 217 2HG LYS 25 2HG LYS 25 0.809 -7.531 -7.531 218 1HD LYS 25 1HD LYS 25 0.773 -9.063 -9.063 219 2HD LYS 25 2HD LYS 25 -0.205 -7.584 -7.584 220 1HE LYS 25 1HE LYS 25 -0.523 -9.113 -9.113 221 2HE LYS 25 2HE LYS 25 -1.108 -9.986 -9.986 222 1HZ LYS 25 1HZ LYS 25 -1.808 -7.149 -7.149 223 2HZ LYS 25 2HZ LYS 25 -2.569 -8.200 -8.200 224 3HZ LYS 25 3HZ LYS 25 -2.697 -8.451 -8.451 225 HA PRO 26 HA PRO 26 4.594 -6.437 -6.437 226 1HB PRO 26 1HB PRO 26 6.898 -5.083 -5.083 227 2HB PRO 26 2HB PRO 26 6.514 -6.798 -6.798 228 1HG PRO 26 1HG PRO 26 8.082 -6.175 -6.175 229 2HG PRO 26 2HG PRO 26 8.644 -6.980 -6.980 230 1HD PRO 26 1HD PRO 26 7.744 -8.267 -8.267 231 2HD PRO 26 2HD PRO 26 7.124 -8.808 -8.808 232 H LYS 27 H LYS 27 7.057 -5.434 -5.434 233 HA LYS 27 HA LYS 27 5.707 -2.702 -2.702 234 1HB LYS 27 1HB LYS 27 8.336 -3.591 -3.591 235 2HB LYS 27 2HB LYS 27 7.728 -1.945 -1.945 236 1HG LYS 27 1HG LYS 27 7.781 -2.759 -2.759 237 2HG LYS 27 2HG LYS 27 9.197 -3.556 -3.556 238 1HD LYS 27 1HD LYS 27 9.435 -0.960 -0.960 239 2HD LYS 27 2HD LYS 27 8.602 -0.649 -0.649 240 1HE LYS 27 1HE LYS 27 11.052 -0.649 -0.649 241 2HE LYS 27 2HE LYS 27 10.342 -2.064 -2.064 242 1HZ LYS 27 1HZ LYS 27 11.604 -2.091 -2.091 243 2HZ LYS 27 2HZ LYS 27 12.312 -2.638 -2.638 244 3HZ LYS 27 3HZ LYS 27 10.960 -3.422 -3.422 245 H CYS 28 H CYS 28 4.487 -2.038 -2.038 246 HA CYS 28 HA CYS 28 3.559 -3.799 -3.799 247 1HB CYS 28 1HB CYS 28 2.918 -1.490 -1.490 248 2HB CYS 28 2HB CYS 28 2.098 -1.983 -1.983 249 H ALA 29 H ALA 29 3.678 -2.846 -2.846 250 HA ALA 29 HA ALA 29 6.435 -3.210 -3.210 251 1HB ALA 29 1HB ALA 29 4.324 -3.614 -3.614 252 2HB ALA 29 2HB ALA 29 3.938 -1.878 -1.878 253 3HB ALA 29 3HB ALA 29 5.379 -2.443 -2.443 254 H LYS 30 H LYS 30 4.365 -0.450 -0.450 255 HA LYS 30 HA LYS 30 5.955 1.740 1.740 256 1HB LYS 30 1HB LYS 30 3.708 1.321 1.321 257 2HB LYS 30 2HB LYS 30 4.877 1.858 1.858 258 1HG LYS 30 1HG LYS 30 3.260 3.521 3.521 259 2HG LYS 30 2HG LYS 30 4.562 4.052 4.052 260 1HD LYS 30 1HD LYS 30 5.967 4.490 4.490 261 2HD LYS 30 2HD LYS 30 5.449 3.054 3.054 262 1HE LYS 30 1HE LYS 30 3.338 5.229 5.229 263 2HE LYS 30 2HE LYS 30 4.646 5.608 5.608 264 1HZ LYS 30 1HZ LYS 30 4.142 3.202 3.202 265 2HZ LYS 30 2HZ LYS 30 2.638 3.474 3.474 266 3HZ LYS 30 3HZ LYS 30 3.210 4.513 4.513 267 H CYS 31 H CYS 31 6.059 0.636 0.636 268 HA CYS 31 HA CYS 31 8.302 2.389 2.389 269 1HB CYS 31 1HB CYS 31 7.382 -0.121 -0.121 270 2HB CYS 31 2HB CYS 31 8.383 1.176 1.176 271 H LEU 32 H LEU 32 8.176 -0.975 -0.975 272 HA LEU 32 HA LEU 32 11.051 -1.450 -1.450 273 1HB LEU 32 1HB LEU 32 9.351 -3.321 -3.321 274 2HB LEU 32 2HB LEU 32 9.084 -2.838 -2.838 275 HG LEU 32 HG LEU 32 10.559 -4.949 -4.949 276 1HD1 LEU 32 1HD1 LEU 32 10.228 -3.926 -3.926 277 2HD1 LEU 32 2HD1 LEU 32 11.688 -2.964 -2.964 278 3HD1 LEU 32 3HD1 LEU 32 11.795 -4.745 -4.745 279 1HD2 LEU 32 1HD2 LEU 32 12.106 -3.691 -3.691 280 2HD2 LEU 32 2HD2 LEU 32 12.995 -4.502 -4.502 281 3HD2 LEU 32 3HD2 LEU 32 12.715 -2.745 -2.745 282 H LYS 33 H LYS 33 9.276 -0.050 -0.050 283 HA LYS 33 HA LYS 33 11.590 -0.252 -0.252 284 1HB LYS 33 1HB LYS 33 8.867 1.232 1.232 285 2HB LYS 33 2HB LYS 33 10.067 1.375 1.375 286 1HG LYS 33 1HG LYS 33 9.821 -1.477 -1.477 287 2HG LYS 33 2HG LYS 33 8.176 -0.857 -0.857 288 1HD LYS 33 1HD LYS 33 8.458 0.178 0.178 289 2HD LYS 33 2HD LYS 33 10.114 -0.456 -0.456 290 1HE LYS 33 1HE LYS 33 7.808 -2.387 -2.387 291 2HE LYS 33 2HE LYS 33 8.089 -1.939 -1.939 292 1HZ LYS 33 1HZ LYS 33 10.473 -2.550 -2.550 293 2HZ LYS 33 2HZ LYS 33 10.042 -3.182 -3.182 294 3HZ LYS 33 3HZ LYS 33 9.389 -3.832 -3.832 295 H ASN 34 H ASN 34 10.394 2.001 2.001 296 HA ASN 34 HA ASN 34 12.556 3.979 3.979 297 1HB ASN 34 1HB ASN 34 9.781 4.269 4.269 298 2HB ASN 34 2HB ASN 34 10.971 5.476 5.476 299 1HD2 ASN 34 1HD2 ASN 34 8.939 6.044 6.044 300 2HD2 ASN 34 2HD2 ASN 34 8.457 4.848 4.848 301 H ASN 35 H ASN 35 12.484 1.520 1.520 302 HA ASN 35 HA ASN 35 13.113 1.060 1.060 303 1HB ASN 35 1HB ASN 35 15.227 1.667 1.667 304 2HB ASN 35 2HB ASN 35 14.964 3.406 3.406 305 1HD2 ASN 35 1HD2 ASN 35 17.276 1.876 1.876 306 2HD2 ASN 35 2HD2 ASN 35 17.559 2.606 2.606 307 H TRP 36 H TRP 36 11.188 1.584 1.584 308 HA TRP 36 HA TRP 36 11.278 4.177 4.177 309 1HB TRP 36 1HB TRP 36 8.936 2.913 2.913 310 2HB TRP 36 2HB TRP 36 8.623 4.061 4.061 311 HD1 TRP 36 HD1 TRP 36 11.461 5.799 5.799 312 HE1 TRP 36 HE1 TRP 36 11.097 7.599 7.599 313 HE3 TRP 36 HE3 TRP 36 7.104 3.848 3.848 314 HZ2 TRP 36 HZ2 TRP 36 9.013 7.996 7.996 315 HZ3 TRP 36 HZ3 TRP 36 6.061 4.870 4.870 316 HH2 TRP 36 HH2 TRP 36 6.949 6.954 6.954 317 H GLU 37 H GLU 37 9.476 4.049 4.049 318 HA GLU 37 HA GLU 37 9.901 1.331 1.331 319 1HB GLU 37 1HB GLU 37 10.722 3.764 3.764 320 2HB GLU 37 2HB GLU 37 9.076 3.896 3.896 321 1HG GLU 37 1HG GLU 37 10.600 1.357 1.357 322 2HG GLU 37 2HG GLU 37 11.163 2.844 2.844 323 H CYS 38 H CYS 38 8.100 0.940 0.940 324 HA CYS 38 HA CYS 38 5.417 1.504 1.504 325 1HB CYS 38 1HB CYS 38 6.456 -0.355 -0.355 326 2HB CYS 38 2HB CYS 38 6.487 -1.419 -1.419 327 H ARG 39 H ARG 39 4.500 2.163 2.163 328 HA ARG 39 HA ARG 39 4.686 0.526 0.526 329 1HB ARG 39 1HB ARG 39 4.548 3.361 3.361 330 2HB ARG 39 2HB ARG 39 3.012 2.984 2.984 331 1HG ARG 39 1HG ARG 39 4.032 2.998 2.998 332 2HG ARG 39 2HG ARG 39 5.115 1.698 1.698 333 1HD ARG 39 1HD ARG 39 6.857 3.197 3.197 334 2HD ARG 39 2HD ARG 39 5.734 4.529 4.529 335 HE ARG 39 HE ARG 39 5.596 3.692 3.692 336 1HH1 ARG 39 1HH1 ARG 39 7.352 5.721 5.721 337 2HH1 ARG 39 2HH1 ARG 39 7.917 6.839 6.839 338 1HH2 ARG 39 1HH2 ARG 39 6.243 4.946 4.946 339 2HH2 ARG 39 2HH2 ARG 39 7.318 6.423 6.423 340 H TYR 40 H TYR 40 3.513 -1.190 -1.190 341 HA TYR 40 HA TYR 40 0.509 -0.727 -0.727 342 1HB TYR 40 1HB TYR 40 2.253 -3.307 -3.307 343 2HB TYR 40 2HB TYR 40 0.517 -3.383 -3.383 344 HD1 TYR 40 HD1 TYR 40 -0.109 -1.098 -1.098 345 HD2 TYR 40 HD2 TYR 40 2.304 -4.656 -4.656 346 HE1 TYR 40 HE1 TYR 40 -0.394 -1.287 -1.287 347 HE2 TYR 40 HE2 TYR 40 2.222 -4.681 -4.681 348 HH TYR 40 HH TYR 40 1.622 -2.366 -2.366 349 H SER 41 H SER 41 2.390 -0.163 -0.163 350 HA SER 41 HA SER 41 1.698 -2.361 -2.361 351 1HB SER 41 1HB SER 41 3.929 -0.879 -0.879 352 2HB SER 41 2HB SER 41 3.037 0.278 0.278 353 HG SER 41 HG SER 41 3.392 -0.957 -0.957 354 HA PRO 42 HA PRO 42 -1.890 -0.483 -0.483 355 1HB PRO 42 1HB PRO 42 -2.137 -2.051 -2.051 356 2HB PRO 42 2HB PRO 42 -2.251 -2.798 -2.798 357 1HG PRO 42 1HG PRO 42 0.286 -2.561 -2.561 358 2HG PRO 42 2HG PRO 42 -0.607 -4.075 -4.075 359 1HD PRO 42 1HD PRO 42 1.572 -2.624 -2.624 360 2HD PRO 42 2HD PRO 42 0.315 -3.445 -3.445 361 H LYS 43 H LYS 43 1.120 -0.512 -0.512 362 HA LYS 43 HA LYS 43 1.952 0.959 0.959 363 1HB LYS 43 1HB LYS 43 -0.766 2.396 2.396 364 2HB LYS 43 2HB LYS 43 0.831 3.058 3.058 365 1HG LYS 43 1HG LYS 43 1.403 2.974 2.974 366 2HG LYS 43 2HG LYS 43 -0.095 2.117 2.117 367 1HD LYS 43 1HD LYS 43 -1.188 4.345 4.345 368 2HD LYS 43 2HD LYS 43 0.397 5.044 5.044 369 1HE LYS 43 1HE LYS 43 -0.741 5.429 5.429 370 2HE LYS 43 2HE LYS 43 0.057 3.889 3.889 371 1HZ LYS 43 1HZ LYS 43 -2.088 2.884 2.884 372 2HZ LYS 43 2HZ LYS 43 -2.763 4.381 4.381 373 3HZ LYS 43 3HZ LYS 43 -2.098 3.441 3.441 Start of MODEL 13 1 1H MET 1 1H MET 1 -26.821 7.477 7.477 2 2H MET 1 2H MET 1 -26.648 8.447 8.447 3 3H MET 1 3H MET 1 -26.707 6.774 6.774 4 HA MET 1 HA MET 1 -24.625 6.423 6.423 5 1HB MET 1 1HB MET 1 -25.014 8.473 8.473 6 2HB MET 1 2HB MET 1 -23.852 9.185 9.185 7 1HG MET 1 1HG MET 1 -22.530 6.836 6.836 8 2HG MET 1 2HG MET 1 -23.507 6.753 6.753 9 1HE MET 1 1HE MET 1 -21.030 8.248 8.248 10 2HE MET 1 2HE MET 1 -19.855 7.906 7.906 11 3HE MET 1 3HE MET 1 -20.228 9.598 9.598 12 H LYS 2 H LYS 2 -23.648 6.293 6.293 13 HA LYS 2 HA LYS 2 -23.893 8.549 8.549 14 1HB LYS 2 1HB LYS 2 -24.068 5.903 5.903 15 2HB LYS 2 2HB LYS 2 -22.311 5.929 5.929 16 1HG LYS 2 1HG LYS 2 -22.554 6.325 6.325 17 2HG LYS 2 2HG LYS 2 -22.698 8.003 8.003 18 1HD LYS 2 1HD LYS 2 -25.149 7.889 7.889 19 2HD LYS 2 2HD LYS 2 -25.120 6.120 6.120 20 1HE LYS 2 1HE LYS 2 -23.313 7.387 7.387 21 2HE LYS 2 2HE LYS 2 -24.975 7.970 7.970 22 1HZ LYS 2 1HZ LYS 2 -25.522 5.439 5.439 23 2HZ LYS 2 2HZ LYS 2 -23.951 5.233 5.233 24 3HZ LYS 2 3HZ LYS 2 -25.083 6.045 6.045 25 H LEU 3 H LEU 3 -22.175 9.461 9.461 26 HA LEU 3 HA LEU 3 -19.733 9.736 9.736 27 1HB LEU 3 1HB LEU 3 -20.893 11.336 11.336 28 2HB LEU 3 2HB LEU 3 -19.194 11.519 11.519 29 HG LEU 3 HG LEU 3 -19.675 12.476 12.476 30 1HD1 LEU 3 1HD1 LEU 3 -21.708 10.835 10.835 31 2HD1 LEU 3 2HD1 LEU 3 -22.700 12.085 12.085 32 3HD1 LEU 3 3HD1 LEU 3 -21.816 12.456 12.456 33 1HD2 LEU 3 1HD2 LEU 3 -20.788 13.653 13.653 34 2HD2 LEU 3 2HD2 LEU 3 -20.064 14.479 14.479 35 3HD2 LEU 3 3HD2 LEU 3 -21.813 14.121 14.121 36 H LEU 4 H LEU 4 -20.306 7.349 7.349 37 HA LEU 4 HA LEU 4 -17.602 7.040 7.040 38 1HB LEU 4 1HB LEU 4 -18.167 6.826 6.826 39 2HB LEU 4 2HB LEU 4 -18.564 8.439 8.439 40 HG LEU 4 HG LEU 4 -21.033 7.627 7.627 41 1HD1 LEU 4 1HD1 LEU 4 -19.718 5.130 5.130 42 2HD1 LEU 4 2HD1 LEU 4 -21.032 5.610 5.610 43 3HD1 LEU 4 3HD1 LEU 4 -21.362 5.365 5.365 44 1HD2 LEU 4 1HD2 LEU 4 -20.177 9.110 9.110 45 2HD2 LEU 4 2HD2 LEU 4 -21.495 8.019 8.019 46 3HD2 LEU 4 3HD2 LEU 4 -19.831 7.634 7.634 47 H SER 5 H SER 5 -17.019 5.062 5.062 48 HA SER 5 HA SER 5 -18.884 2.804 2.804 49 1HB SER 5 1HB SER 5 -18.387 1.970 1.970 50 2HB SER 5 2HB SER 5 -19.666 3.153 3.153 51 HG SER 5 HG SER 5 -18.254 4.768 4.768 52 H SER 6 H SER 6 -16.671 3.519 3.519 53 HA SER 6 HA SER 6 -15.017 2.149 2.149 54 1HB SER 6 1HB SER 6 -16.440 0.224 0.224 55 2HB SER 6 2HB SER 6 -14.923 0.071 0.071 56 HG SER 6 HG SER 6 -14.402 -1.130 -1.130 57 H ILE 7 H ILE 7 -12.958 0.724 0.724 58 HA ILE 7 HA ILE 7 -11.203 1.563 1.563 59 HB ILE 7 HB ILE 7 -9.945 3.654 3.654 60 1HG1 ILE 7 1HG1 ILE 7 -12.736 4.303 4.303 61 2HG1 ILE 7 2HG1 ILE 7 -11.170 4.538 4.538 62 1HG2 ILE 7 1HG2 ILE 7 -11.549 3.253 3.253 63 2HG2 ILE 7 2HG2 ILE 7 -12.231 4.726 4.726 64 3HG2 ILE 7 3HG2 ILE 7 -10.489 4.651 4.651 65 1HD1 ILE 7 1HD1 ILE 7 -12.108 6.257 6.257 66 2HD1 ILE 7 2HD1 ILE 7 -12.166 6.722 6.722 67 3HD1 ILE 7 3HD1 ILE 7 -10.594 6.448 6.448 68 H GLU 8 H GLU 8 -9.085 0.963 0.963 69 HA GLU 8 HA GLU 8 -8.455 0.524 0.524 70 1HB GLU 8 1HB GLU 8 -8.364 -2.142 -2.142 71 2HB GLU 8 2HB GLU 8 -9.341 -1.551 -1.551 72 1HG GLU 8 1HG GLU 8 -10.835 -2.669 -2.669 73 2HG GLU 8 2HG GLU 8 -11.218 -0.967 -0.967 74 H GLN 9 H GLN 9 -7.496 -1.777 -1.777 75 HA GLN 9 HA GLN 9 -4.702 -1.082 -1.082 76 1HB GLN 9 1HB GLN 9 -6.162 -3.357 -3.357 77 2HB GLN 9 2HB GLN 9 -4.959 -2.985 -2.985 78 1HG GLN 9 1HG GLN 9 -3.221 -2.964 -2.964 79 2HG GLN 9 2HG GLN 9 -4.483 -3.807 -3.807 80 1HE2 GLN 9 1HE2 GLN 9 -3.695 -6.886 -6.886 81 2HE2 GLN 9 2HE2 GLN 9 -5.061 -5.967 -5.967 82 H ALA 10 H ALA 10 -3.369 -1.845 -1.845 83 HA ALA 10 HA ALA 10 -2.479 -0.860 -0.860 84 1HB ALA 10 1HB ALA 10 -4.682 0.049 0.049 85 2HB ALA 10 2HB ALA 10 -4.546 1.410 1.410 86 3HB ALA 10 3HB ALA 10 -3.431 1.283 1.283 87 H CYS 11 H CYS 11 -0.690 0.589 0.589 88 HA CYS 11 HA CYS 11 0.284 1.000 1.000 89 1HB CYS 11 1HB CYS 11 2.527 1.200 1.200 90 2HB CYS 11 2HB CYS 11 1.631 -0.127 -0.127 91 H ASP 12 H ASP 12 1.864 2.713 2.713 92 HA ASP 12 HA ASP 12 0.279 5.189 5.189 93 1HB ASP 12 1HB ASP 12 2.168 4.179 4.179 94 2HB ASP 12 2HB ASP 12 3.249 5.164 5.164 95 H ILE 13 H ILE 13 3.113 4.151 4.151 96 HA ILE 13 HA ILE 13 3.703 6.728 6.728 97 HB ILE 13 HB ILE 13 4.201 3.837 3.837 98 1HG1 ILE 13 1HG1 ILE 13 5.876 4.763 4.763 99 2HG1 ILE 13 2HG1 ILE 13 6.630 4.669 4.669 100 1HG2 ILE 13 1HG2 ILE 13 3.680 5.042 5.042 101 2HG2 ILE 13 2HG2 ILE 13 5.035 6.147 6.147 102 3HG2 ILE 13 3HG2 ILE 13 5.302 4.407 4.407 103 1HD1 ILE 13 1HD1 ILE 13 6.217 7.090 7.090 104 2HD1 ILE 13 2HD1 ILE 13 5.499 7.269 7.269 105 3HD1 ILE 13 3HD1 ILE 13 7.224 6.859 6.859 106 H CYS 14 H CYS 14 1.195 4.480 4.480 107 HA CYS 14 HA CYS 14 0.696 5.746 5.746 108 1HB CYS 14 1HB CYS 14 -0.532 3.409 3.409 109 2HB CYS 14 2HB CYS 14 -1.486 4.136 4.136 110 H ARG 15 H ARG 15 -0.891 5.767 5.767 111 HA ARG 15 HA ARG 15 -2.917 7.646 7.646 112 1HB ARG 15 1HB ARG 15 -2.139 8.614 8.614 113 2HB ARG 15 2HB ARG 15 -3.247 7.284 7.284 114 1HG ARG 15 1HG ARG 15 -1.762 5.754 5.754 115 2HG ARG 15 2HG ARG 15 -0.408 6.309 6.309 116 1HD ARG 15 1HD ARG 15 0.082 6.712 6.712 117 2HD ARG 15 2HD ARG 15 -0.114 8.291 8.291 118 HE ARG 15 HE ARG 15 -2.595 7.079 7.079 119 1HH1 ARG 15 1HH1 ARG 15 -0.053 9.415 9.415 120 2HH1 ARG 15 2HH1 ARG 15 -0.983 10.340 10.340 121 1HH2 ARG 15 1HH2 ARG 15 -3.541 8.129 8.129 122 2HH2 ARG 15 2HH2 ARG 15 -2.881 9.645 9.645 123 H LEU 16 H LEU 16 0.425 8.435 8.435 124 HA LEU 16 HA LEU 16 -0.085 11.332 11.332 125 1HB LEU 16 1HB LEU 16 2.545 9.728 9.728 126 2HB LEU 16 2HB LEU 16 2.495 11.471 11.471 127 HG LEU 16 HG LEU 16 1.478 9.445 9.445 128 1HD1 LEU 16 1HD1 LEU 16 3.975 9.430 9.430 129 2HD1 LEU 16 2HD1 LEU 16 4.036 11.192 11.192 130 3HD1 LEU 16 3HD1 LEU 16 3.512 10.116 10.116 131 1HD2 LEU 16 1HD2 LEU 16 1.712 12.533 12.533 132 2HD2 LEU 16 2HD2 LEU 16 0.215 11.570 11.570 133 3HD2 LEU 16 3HD2 LEU 16 1.378 11.448 11.448 134 H LYS 17 H LYS 17 1.505 9.157 9.157 135 HA LYS 17 HA LYS 17 2.013 11.420 11.420 136 1HB LYS 17 1HB LYS 17 2.709 8.476 8.476 137 2HB LYS 17 2HB LYS 17 2.481 9.001 9.001 138 1HG LYS 17 1HG LYS 17 4.253 10.787 10.787 139 2HG LYS 17 2HG LYS 17 4.884 9.185 9.185 140 1HD LYS 17 1HD LYS 17 4.107 10.004 10.004 141 2HD LYS 17 2HD LYS 17 4.363 11.592 11.592 142 1HE LYS 17 1HE LYS 17 6.603 10.125 10.125 143 2HE LYS 17 2HE LYS 17 6.416 9.491 9.491 144 1HZ LYS 17 1HZ LYS 17 6.054 12.348 12.348 145 2HZ LYS 17 2HZ LYS 17 7.584 11.841 11.841 146 3HZ LYS 17 3HZ LYS 17 7.003 11.427 11.427 147 H LYS 18 H LYS 18 -0.499 9.244 9.244 148 HA LYS 18 HA LYS 18 -2.405 8.602 8.602 149 1HB LYS 18 1HB LYS 18 -1.824 11.349 11.349 150 2HB LYS 18 2HB LYS 18 -3.010 10.277 10.277 151 1HG LYS 18 1HG LYS 18 -4.528 10.456 10.456 152 2HG LYS 18 2HG LYS 18 -3.239 10.663 10.663 153 1HD LYS 18 1HD LYS 18 -2.955 13.054 13.054 154 2HD LYS 18 2HD LYS 18 -4.230 12.783 12.783 155 1HE LYS 18 1HE LYS 18 -5.936 12.351 12.351 156 2HE LYS 18 2HE LYS 18 -4.722 12.274 12.274 157 1HZ LYS 18 1HZ LYS 18 -4.792 14.712 14.712 158 2HZ LYS 18 2HZ LYS 18 -6.032 14.469 14.469 159 3HZ LYS 18 3HZ LYS 18 -4.434 14.510 14.510 160 H LEU 19 H LEU 19 -1.033 6.912 6.912 161 HA LEU 19 HA LEU 19 -0.532 6.743 6.743 162 1HB LEU 19 1HB LEU 19 1.277 4.947 4.947 163 2HB LEU 19 2HB LEU 19 1.647 6.052 6.052 164 HG LEU 19 HG LEU 19 1.344 7.580 7.580 165 1HD1 LEU 19 1HD1 LEU 19 1.995 5.204 5.204 166 2HD1 LEU 19 2HD1 LEU 19 3.551 5.424 5.424 167 3HD1 LEU 19 3HD1 LEU 19 3.083 6.542 6.542 168 1HD2 LEU 19 1HD2 LEU 19 3.558 7.143 7.143 169 2HD2 LEU 19 2HD2 LEU 19 2.699 8.636 8.636 170 3HD2 LEU 19 3HD2 LEU 19 3.927 7.994 7.994 171 H LYS 20 H LYS 20 0.106 4.308 4.308 172 HA LYS 20 HA LYS 20 -2.554 2.995 2.995 173 1HB LYS 20 1HB LYS 20 -1.951 1.401 1.401 174 2HB LYS 20 2HB LYS 20 -1.820 3.068 3.068 175 1HG LYS 20 1HG LYS 20 0.792 2.697 2.697 176 2HG LYS 20 2HG LYS 20 0.382 1.017 1.017 177 1HD LYS 20 1HD LYS 20 0.819 3.371 3.371 178 2HD LYS 20 2HD LYS 20 1.226 1.661 1.661 179 1HE LYS 20 1HE LYS 20 -1.515 1.395 1.395 180 2HE LYS 20 2HE LYS 20 -1.436 3.077 3.077 181 1HZ LYS 20 1HZ LYS 20 0.486 1.991 1.991 182 2HZ LYS 20 2HZ LYS 20 -0.529 0.660 0.660 183 3HZ LYS 20 3HZ LYS 20 -1.123 2.097 2.097 184 H CYS 21 H CYS 21 -2.869 1.155 1.155 185 HA CYS 21 HA CYS 21 -0.366 -0.144 -0.144 186 1HB CYS 21 1HB CYS 21 -1.097 1.831 1.831 187 2HB CYS 21 2HB CYS 21 -2.627 1.001 1.001 188 H SER 22 H SER 22 -1.349 -1.759 -1.759 189 HA SER 22 HA SER 22 -3.288 -3.625 -3.625 190 1HB SER 22 1HB SER 22 -1.512 -5.492 -5.492 191 2HB SER 22 2HB SER 22 -1.884 -4.373 -4.373 192 HG SER 22 HG SER 22 0.241 -4.227 -4.227 193 H LYS 23 H LYS 23 -0.620 -2.649 -2.649 194 HA LYS 23 HA LYS 23 -0.250 -3.096 -3.096 195 1HB LYS 23 1HB LYS 23 -2.129 -3.360 -3.360 196 2HB LYS 23 2HB LYS 23 -2.962 -3.002 -3.002 197 1HG LYS 23 1HG LYS 23 -2.932 -5.719 -5.719 198 2HG LYS 23 2HG LYS 23 -2.646 -5.710 -5.710 199 1HD LYS 23 1HD LYS 23 -5.096 -5.040 -5.040 200 2HD LYS 23 2HD LYS 23 -4.971 -5.795 -5.795 201 1HE LYS 23 1HE LYS 23 -5.619 -3.745 -3.745 202 2HE LYS 23 2HE LYS 23 -3.966 -3.206 -3.206 203 1HZ LYS 23 1HZ LYS 23 -6.233 -3.031 -3.031 204 2HZ LYS 23 2HZ LYS 23 -5.588 -1.760 -1.760 205 3HZ LYS 23 3HZ LYS 23 -4.660 -2.511 -2.511 206 H GLU 24 H GLU 24 0.343 -5.005 -5.005 207 HA GLU 24 HA GLU 24 1.065 -7.489 -7.489 208 1HB GLU 24 1HB GLU 24 3.339 -7.039 -7.039 209 2HB GLU 24 2HB GLU 24 1.829 -7.379 -7.379 210 1HG GLU 24 1HG GLU 24 1.637 -4.657 -4.657 211 2HG GLU 24 2HG GLU 24 3.367 -4.738 -4.738 212 H LYS 25 H LYS 25 3.231 -8.162 -8.162 213 HA LYS 25 HA LYS 25 4.143 -6.287 -6.287 214 1HB LYS 25 1HB LYS 25 3.100 -9.181 -9.181 215 2HB LYS 25 2HB LYS 25 3.866 -8.225 -8.225 216 1HG LYS 25 1HG LYS 25 1.982 -6.510 -6.510 217 2HG LYS 25 2HG LYS 25 1.248 -7.437 -7.437 218 1HD LYS 25 1HD LYS 25 1.592 -8.221 -8.221 219 2HD LYS 25 2HD LYS 25 0.075 -7.868 -7.868 220 1HE LYS 25 1HE LYS 25 1.017 -9.870 -9.870 221 2HE LYS 25 2HE LYS 25 1.806 -10.387 -10.387 222 1HZ LYS 25 1HZ LYS 25 -1.088 -9.717 -9.717 223 2HZ LYS 25 2HZ LYS 25 -0.465 -11.272 -11.272 224 3HZ LYS 25 3HZ LYS 25 -0.277 -10.428 -10.428 225 HA PRO 26 HA PRO 26 5.374 -6.734 -6.734 226 1HB PRO 26 1HB PRO 26 7.761 -5.433 -5.433 227 2HB PRO 26 2HB PRO 26 7.510 -7.251 -7.251 228 1HG PRO 26 1HG PRO 26 8.553 -6.173 -6.173 229 2HG PRO 26 2HG PRO 26 9.415 -7.200 -7.200 230 1HD PRO 26 1HD PRO 26 8.107 -8.166 -8.166 231 2HD PRO 26 2HD PRO 26 7.788 -8.951 -8.951 232 H LYS 27 H LYS 27 7.308 -5.311 -5.311 233 HA LYS 27 HA LYS 27 5.645 -2.751 -2.751 234 1HB LYS 27 1HB LYS 27 7.556 -1.946 -1.946 235 2HB LYS 27 2HB LYS 27 7.814 -1.895 -1.895 236 1HG LYS 27 1HG LYS 27 9.536 -3.442 -3.442 237 2HG LYS 27 2HG LYS 27 8.533 -4.579 -4.579 238 1HD LYS 27 1HD LYS 27 9.115 -3.253 -3.253 239 2HD LYS 27 2HD LYS 27 10.154 -2.205 -2.205 240 1HE LYS 27 1HE LYS 27 10.461 -5.290 -5.290 241 2HE LYS 27 2HE LYS 27 11.460 -4.149 -4.149 242 1HZ LYS 27 1HZ LYS 27 11.811 -3.082 -3.082 243 2HZ LYS 27 2HZ LYS 27 11.383 -4.610 -4.610 244 3HZ LYS 27 3HZ LYS 27 12.702 -4.430 -4.430 245 H CYS 28 H CYS 28 4.388 -2.068 -2.068 246 HA CYS 28 HA CYS 28 3.581 -3.838 -3.838 247 1HB CYS 28 1HB CYS 28 3.093 -1.513 -1.513 248 2HB CYS 28 2HB CYS 28 2.130 -1.987 -1.987 249 H ALA 29 H ALA 29 3.821 -3.087 -3.087 250 HA ALA 29 HA ALA 29 6.571 -3.528 -3.528 251 1HB ALA 29 1HB ALA 29 4.470 -3.744 -3.744 252 2HB ALA 29 2HB ALA 29 4.222 -1.984 -1.984 253 3HB ALA 29 3HB ALA 29 5.640 -2.647 -2.647 254 H LYS 30 H LYS 30 4.685 -0.676 -0.676 255 HA LYS 30 HA LYS 30 6.678 1.141 1.141 256 1HB LYS 30 1HB LYS 30 4.627 2.151 2.151 257 2HB LYS 30 2HB LYS 30 3.941 1.228 1.228 258 1HG LYS 30 1HG LYS 30 3.789 3.223 3.223 259 2HG LYS 30 2HG LYS 30 5.540 3.221 3.221 260 1HD LYS 30 1HD LYS 30 3.915 4.479 4.479 261 2HD LYS 30 2HD LYS 30 4.687 5.357 5.357 262 1HE LYS 30 1HE LYS 30 6.806 5.234 5.234 263 2HE LYS 30 2HE LYS 30 6.628 3.521 3.521 264 1HZ LYS 30 1HZ LYS 30 5.012 4.363 4.363 265 2HZ LYS 30 2HZ LYS 30 5.719 5.868 5.868 266 3HZ LYS 30 3HZ LYS 30 6.664 4.567 4.567 267 H CYS 31 H CYS 31 6.161 0.369 0.369 268 HA CYS 31 HA CYS 31 8.258 2.329 2.329 269 1HB CYS 31 1HB CYS 31 7.308 -0.210 -0.210 270 2HB CYS 31 2HB CYS 31 8.316 1.067 1.067 271 H LEU 32 H LEU 32 8.144 -0.998 -0.998 272 HA LEU 32 HA LEU 32 11.003 -1.535 -1.535 273 1HB LEU 32 1HB LEU 32 9.094 -3.229 -3.229 274 2HB LEU 32 2HB LEU 32 9.278 -2.631 -2.631 275 HG LEU 32 HG LEU 32 11.523 -4.002 -4.002 276 1HD1 LEU 32 1HD1 LEU 32 9.596 -5.556 -5.556 277 2HD1 LEU 32 2HD1 LEU 32 9.646 -5.179 -5.179 278 3HD1 LEU 32 3HD1 LEU 32 11.009 -6.022 -6.022 279 1HD2 LEU 32 1HD2 LEU 32 11.340 -3.267 -3.267 280 2HD2 LEU 32 2HD2 LEU 32 12.468 -2.586 -2.586 281 3HD2 LEU 32 3HD2 LEU 32 12.616 -4.282 -4.282 282 H LYS 33 H LYS 33 9.269 0.211 0.211 283 HA LYS 33 HA LYS 33 11.526 0.132 0.132 284 1HB LYS 33 1HB LYS 33 8.897 1.779 1.779 285 2HB LYS 33 2HB LYS 33 10.131 2.150 2.150 286 1HG LYS 33 1HG LYS 33 9.885 -0.633 -0.633 287 2HG LYS 33 2HG LYS 33 8.254 -0.222 -0.222 288 1HD LYS 33 1HD LYS 33 8.450 -0.193 -0.193 289 2HD LYS 33 2HD LYS 33 8.114 1.451 1.451 290 1HE LYS 33 1HE LYS 33 10.906 1.468 1.468 291 2HE LYS 33 2HE LYS 33 10.677 0.359 0.359 292 1HZ LYS 33 1HZ LYS 33 9.419 3.046 3.046 293 2HZ LYS 33 2HZ LYS 33 10.742 2.651 2.651 294 3HZ LYS 33 3HZ LYS 33 9.234 1.985 1.985 295 H ASN 34 H ASN 34 10.476 2.156 2.156 296 HA ASN 34 HA ASN 34 12.678 4.153 4.153 297 1HB ASN 34 1HB ASN 34 9.895 4.404 4.404 298 2HB ASN 34 2HB ASN 34 11.102 5.541 5.541 299 1HD2 ASN 34 1HD2 ASN 34 9.308 6.144 6.144 300 2HD2 ASN 34 2HD2 ASN 34 9.084 4.533 4.533 301 H ASN 35 H ASN 35 12.450 1.566 1.566 302 HA ASN 35 HA ASN 35 13.130 0.989 0.989 303 1HB ASN 35 1HB ASN 35 15.391 1.423 1.423 304 2HB ASN 35 2HB ASN 35 15.066 3.101 3.101 305 1HD2 ASN 35 1HD2 ASN 35 15.547 2.959 2.959 306 2HD2 ASN 35 2HD2 ASN 35 14.271 1.850 1.850 307 H TRP 36 H TRP 36 11.145 1.502 1.502 308 HA TRP 36 HA TRP 36 11.221 4.047 4.047 309 1HB TRP 36 1HB TRP 36 8.962 2.806 2.806 310 2HB TRP 36 2HB TRP 36 8.549 3.861 3.861 311 HD1 TRP 36 HD1 TRP 36 11.460 5.668 5.668 312 HE1 TRP 36 HE1 TRP 36 11.156 7.594 7.594 313 HE3 TRP 36 HE3 TRP 36 7.157 3.855 3.855 314 HZ2 TRP 36 HZ2 TRP 36 9.160 8.080 8.080 315 HZ3 TRP 36 HZ3 TRP 36 6.118 5.048 5.048 316 HH2 TRP 36 HH2 TRP 36 7.146 7.069 7.069 317 H GLU 37 H GLU 37 9.389 3.935 3.935 318 HA GLU 37 HA GLU 37 9.886 1.280 1.280 319 1HB GLU 37 1HB GLU 37 10.835 3.312 3.312 320 2HB GLU 37 2HB GLU 37 9.288 4.124 4.124 321 1HG GLU 37 1HG GLU 37 8.887 1.613 1.613 322 2HG GLU 37 2HG GLU 37 10.358 2.325 2.325 323 H CYS 38 H CYS 38 8.134 0.903 0.903 324 HA CYS 38 HA CYS 38 5.437 1.494 1.494 325 1HB CYS 38 1HB CYS 38 6.468 -0.289 -0.289 326 2HB CYS 38 2HB CYS 38 6.479 -1.433 -1.433 327 H ARG 39 H ARG 39 4.502 2.059 2.059 328 HA ARG 39 HA ARG 39 4.545 0.250 0.250 329 1HB ARG 39 1HB ARG 39 4.918 2.811 2.811 330 2HB ARG 39 2HB ARG 39 3.297 3.063 3.063 331 1HG ARG 39 1HG ARG 39 2.906 1.361 1.361 332 2HG ARG 39 2HG ARG 39 4.207 2.453 2.453 333 1HD ARG 39 1HD ARG 39 2.772 4.433 4.433 334 2HD ARG 39 2HD ARG 39 1.467 3.309 3.309 335 HE ARG 39 HE ARG 39 2.461 2.834 2.834 336 1HH1 ARG 39 1HH1 ARG 39 0.237 4.752 4.752 337 2HH1 ARG 39 2HH1 ARG 39 -0.826 5.083 5.083 338 1HH2 ARG 39 1HH2 ARG 39 1.267 3.239 3.239 339 2HH2 ARG 39 2HH2 ARG 39 -0.271 4.265 4.265 340 H TYR 40 H TYR 40 2.563 -0.299 -0.299 341 HA TYR 40 HA TYR 40 0.295 -0.748 -0.748 342 1HB TYR 40 1HB TYR 40 2.068 -2.866 -2.866 343 2HB TYR 40 2HB TYR 40 0.368 -3.227 -3.227 344 HD1 TYR 40 HD1 TYR 40 2.618 -1.635 -1.635 345 HD2 TYR 40 HD2 TYR 40 0.425 -5.129 -5.129 346 HE1 TYR 40 HE1 TYR 40 1.887 -2.021 -2.021 347 HE2 TYR 40 HE2 TYR 40 0.420 -5.878 -5.878 348 HH TYR 40 HH TYR 40 -0.093 -4.086 -4.086 349 H SER 41 H SER 41 0.804 0.840 0.840 350 HA SER 41 HA SER 41 -0.247 1.364 1.364 351 1HB SER 41 1HB SER 41 -2.539 1.230 1.230 352 2HB SER 41 2HB SER 41 -2.321 0.792 0.792 353 HG SER 41 HG SER 41 -2.216 -1.505 -1.505 354 HA PRO 42 HA PRO 42 1.050 -2.904 -2.904 355 1HB PRO 42 1HB PRO 42 3.762 -1.588 -1.588 356 2HB PRO 42 2HB PRO 42 3.275 -3.388 -3.388 357 1HG PRO 42 1HG PRO 42 3.970 -1.613 -1.613 358 2HG PRO 42 2HG PRO 42 2.625 -2.936 -2.936 359 1HD PRO 42 1HD PRO 42 2.683 0.090 0.090 360 2HD PRO 42 2HD PRO 42 1.698 -0.759 -0.759 361 H LYS 43 H LYS 43 1.815 0.426 0.426 362 HA LYS 43 HA LYS 43 3.061 0.277 0.277 363 1HB LYS 43 1HB LYS 43 2.438 2.345 2.345 364 2HB LYS 43 2HB LYS 43 1.046 2.515 2.515 365 1HG LYS 43 1HG LYS 43 2.512 2.865 2.865 366 2HG LYS 43 2HG LYS 43 3.949 2.404 2.404 367 1HD LYS 43 1HD LYS 43 3.611 4.904 4.904 368 2HD LYS 43 2HD LYS 43 3.893 4.499 4.499 369 1HE LYS 43 1HE LYS 43 1.976 5.970 5.970 370 2HE LYS 43 2HE LYS 43 1.262 4.357 4.357 371 1HZ LYS 43 1HZ LYS 43 1.620 5.573 5.573 372 2HZ LYS 43 2HZ LYS 43 0.284 5.937 5.937 373 3HZ LYS 43 3HZ LYS 43 0.569 4.350 4.350 Start of MODEL 14 1 1H MET 1 1H MET 1 -19.184 -3.246 -3.246 2 2H MET 1 2H MET 1 -20.360 -2.272 -2.272 3 3H MET 1 3H MET 1 -18.752 -1.777 -1.777 4 HA MET 1 HA MET 1 -18.763 -1.083 -1.083 5 1HB MET 1 1HB MET 1 -21.630 -0.962 -0.962 6 2HB MET 1 2HB MET 1 -21.351 -0.458 -0.458 7 1HG MET 1 1HG MET 1 -21.168 1.607 1.607 8 2HG MET 1 2HG MET 1 -19.464 1.124 1.124 9 1HE MET 1 1HE MET 1 -18.252 1.828 1.828 10 2HE MET 1 2HE MET 1 -18.084 1.288 1.288 11 3HE MET 1 3HE MET 1 -18.957 2.806 2.806 12 H LYS 2 H LYS 2 -18.025 -3.082 -3.082 13 HA LYS 2 HA LYS 2 -20.168 -4.325 -4.325 14 1HB LYS 2 1HB LYS 2 -17.504 -5.298 -5.298 15 2HB LYS 2 2HB LYS 2 -17.916 -5.867 -5.867 16 1HG LYS 2 1HG LYS 2 -19.394 -7.411 -7.411 17 2HG LYS 2 2HG LYS 2 -20.309 -6.142 -6.142 18 1HD LYS 2 1HD LYS 2 -17.687 -7.191 -7.191 19 2HD LYS 2 2HD LYS 2 -19.165 -8.164 -8.164 20 1HE LYS 2 1HE LYS 2 -19.314 -5.175 -5.175 21 2HE LYS 2 2HE LYS 2 -18.610 -6.288 -6.288 22 1HZ LYS 2 1HZ LYS 2 -20.643 -7.703 -7.703 23 2HZ LYS 2 2HZ LYS 2 -21.320 -6.434 -6.434 24 3HZ LYS 2 3HZ LYS 2 -20.906 -6.217 -6.217 25 H LEU 3 H LEU 3 -19.772 -1.902 -1.902 26 HA LEU 3 HA LEU 3 -17.561 -1.206 -1.206 27 1HB LEU 3 1HB LEU 3 -19.062 0.377 0.377 28 2HB LEU 3 2HB LEU 3 -19.367 0.390 0.390 29 HG LEU 3 HG LEU 3 -21.520 0.525 0.525 30 1HD1 LEU 3 1HD1 LEU 3 -21.048 -2.528 -2.528 31 2HD1 LEU 3 2HD1 LEU 3 -22.659 -1.774 -1.774 32 3HD1 LEU 3 3HD1 LEU 3 -21.559 -1.461 -1.461 33 1HD2 LEU 3 1HD2 LEU 3 -20.529 -1.021 -1.021 34 2HD2 LEU 3 2HD2 LEU 3 -21.430 0.497 0.497 35 3HD2 LEU 3 3HD2 LEU 3 -22.275 -1.050 -1.050 36 H LEU 4 H LEU 4 -16.625 -2.009 -2.009 37 HA LEU 4 HA LEU 4 -18.150 -3.854 -3.854 38 1HB LEU 4 1HB LEU 4 -15.612 -4.078 -4.078 39 2HB LEU 4 2HB LEU 4 -15.212 -3.122 -3.122 40 HG LEU 4 HG LEU 4 -14.804 -5.353 -5.353 41 1HD1 LEU 4 1HD1 LEU 4 -16.494 -3.878 -3.878 42 2HD1 LEU 4 2HD1 LEU 4 -17.643 -5.174 -5.174 43 3HD1 LEU 4 3HD1 LEU 4 -16.121 -5.557 -5.557 44 1HD2 LEU 4 1HD2 LEU 4 -16.801 -6.116 -6.116 45 2HD2 LEU 4 2HD2 LEU 4 -15.793 -7.210 -7.210 46 3HD2 LEU 4 3HD2 LEU 4 -17.404 -6.702 -6.702 47 H SER 5 H SER 5 -15.949 -1.090 -1.090 48 HA SER 5 HA SER 5 -16.281 0.885 0.885 49 1HB SER 5 1HB SER 5 -18.413 1.637 1.637 50 2HB SER 5 2HB SER 5 -18.859 0.380 0.380 51 HG SER 5 HG SER 5 -19.532 0.635 0.635 52 H SER 6 H SER 6 -15.069 -1.538 -1.538 53 HA SER 6 HA SER 6 -15.045 -0.557 -0.557 54 1HB SER 6 1HB SER 6 -14.950 -2.794 -2.794 55 2HB SER 6 2HB SER 6 -16.333 -2.800 -2.800 56 HG SER 6 HG SER 6 -14.105 -4.319 -4.319 57 H ILE 7 H ILE 7 -13.387 -0.406 -0.406 58 HA ILE 7 HA ILE 7 -11.225 0.897 0.897 59 HB ILE 7 HB ILE 7 -10.923 -0.607 -0.607 60 1HG1 ILE 7 1HG1 ILE 7 -9.309 1.230 1.230 61 2HG1 ILE 7 2HG1 ILE 7 -8.678 0.008 0.008 62 1HG2 ILE 7 1HG2 ILE 7 -10.739 -2.871 -2.871 63 2HG2 ILE 7 2HG2 ILE 7 -9.104 -2.333 -2.333 64 3HG2 ILE 7 3HG2 ILE 7 -9.540 -2.630 -2.630 65 1HD1 ILE 7 1HD1 ILE 7 -7.570 -1.215 -1.215 66 2HD1 ILE 7 2HD1 ILE 7 -8.074 0.118 0.118 67 3HD1 ILE 7 3HD1 ILE 7 -6.955 0.432 0.432 68 H GLU 8 H GLU 8 -9.593 0.890 0.890 69 HA GLU 8 HA GLU 8 -9.450 -1.631 -1.631 70 1HB GLU 8 1HB GLU 8 -10.616 -0.125 -0.125 71 2HB GLU 8 2HB GLU 8 -9.856 1.297 1.297 72 1HG GLU 8 1HG GLU 8 -7.939 -0.515 -0.515 73 2HG GLU 8 2HG GLU 8 -9.226 0.110 0.110 74 H GLN 9 H GLN 9 -7.725 -2.521 -2.521 75 HA GLN 9 HA GLN 9 -5.527 -1.363 -1.363 76 1HB GLN 9 1HB GLN 9 -6.158 -3.870 -3.870 77 2HB GLN 9 2HB GLN 9 -4.529 -3.421 -3.421 78 1HG GLN 9 1HG GLN 9 -3.643 -4.091 -4.091 79 2HG GLN 9 2HG GLN 9 -4.748 -3.081 -3.081 80 1HE2 GLN 9 1HE2 GLN 9 -6.794 -5.957 -5.957 81 2HE2 GLN 9 2HE2 GLN 9 -6.782 -4.115 -4.115 82 H ALA 10 H ALA 10 -3.966 -0.100 -0.100 83 HA ALA 10 HA ALA 10 -2.478 -0.193 -0.193 84 1HB ALA 10 1HB ALA 10 -4.423 1.147 1.147 85 2HB ALA 10 2HB ALA 10 -4.214 2.344 2.344 86 3HB ALA 10 3HB ALA 10 -2.978 2.176 2.176 87 H CYS 11 H CYS 11 -0.529 1.018 1.018 88 HA CYS 11 HA CYS 11 0.345 1.093 1.093 89 1HB CYS 11 1HB CYS 11 2.654 1.344 1.344 90 2HB CYS 11 2HB CYS 11 1.741 -0.008 -0.008 91 H ASP 12 H ASP 12 2.040 2.794 2.794 92 HA ASP 12 HA ASP 12 0.630 5.333 5.333 93 1HB ASP 12 1HB ASP 12 2.698 4.301 4.301 94 2HB ASP 12 2HB ASP 12 3.688 5.148 5.148 95 H ILE 13 H ILE 13 3.065 4.129 4.129 96 HA ILE 13 HA ILE 13 3.753 6.763 6.763 97 HB ILE 13 HB ILE 13 4.270 3.864 3.864 98 1HG1 ILE 13 1HG1 ILE 13 5.950 4.684 4.684 99 2HG1 ILE 13 2HG1 ILE 13 6.712 4.735 4.735 100 1HG2 ILE 13 1HG2 ILE 13 3.753 5.137 5.137 101 2HG2 ILE 13 2HG2 ILE 13 5.218 6.095 6.095 102 3HG2 ILE 13 3HG2 ILE 13 5.358 4.370 4.370 103 1HD1 ILE 13 1HD1 ILE 13 5.530 7.357 7.357 104 2HD1 ILE 13 2HD1 ILE 13 6.396 6.980 6.980 105 3HD1 ILE 13 3HD1 ILE 13 7.246 6.897 6.897 106 H CYS 14 H CYS 14 1.282 4.482 4.482 107 HA CYS 14 HA CYS 14 0.631 5.837 5.837 108 1HB CYS 14 1HB CYS 14 -0.593 3.508 3.508 109 2HB CYS 14 2HB CYS 14 -1.552 4.284 4.284 110 H ARG 15 H ARG 15 -0.605 5.833 5.833 111 HA ARG 15 HA ARG 15 -2.727 7.685 7.685 112 1HB ARG 15 1HB ARG 15 -0.924 8.471 8.471 113 2HB ARG 15 2HB ARG 15 -2.604 7.972 7.972 114 1HG ARG 15 1HG ARG 15 -0.984 5.561 5.561 115 2HG ARG 15 2HG ARG 15 -0.174 6.441 6.441 116 1HD ARG 15 1HD ARG 15 -3.205 5.846 5.846 117 2HD ARG 15 2HD ARG 15 -1.988 4.645 4.645 118 HE ARG 15 HE ARG 15 -1.230 6.137 6.137 119 1HH1 ARG 15 1HH1 ARG 15 -3.962 7.438 7.438 120 2HH1 ARG 15 2HH1 ARG 15 -4.324 8.649 8.649 121 1HH2 ARG 15 1HH2 ARG 15 -1.683 7.471 7.471 122 2HH2 ARG 15 2HH2 ARG 15 -3.087 8.673 8.673 123 H LEU 16 H LEU 16 0.688 8.531 8.531 124 HA LEU 16 HA LEU 16 0.088 11.429 11.429 125 1HB LEU 16 1HB LEU 16 2.709 9.807 9.807 126 2HB LEU 16 2HB LEU 16 2.705 11.558 11.558 127 HG LEU 16 HG LEU 16 1.905 11.783 11.783 128 1HD1 LEU 16 1HD1 LEU 16 0.215 9.838 9.838 129 2HD1 LEU 16 2HD1 LEU 16 1.550 8.715 8.715 130 3HD1 LEU 16 3HD1 LEU 16 1.144 9.933 9.933 131 1HD2 LEU 16 1HD2 LEU 16 4.355 11.174 11.174 132 2HD2 LEU 16 2HD2 LEU 16 3.729 10.654 10.654 133 3HD2 LEU 16 3HD2 LEU 16 3.953 9.469 9.469 134 H LYS 17 H LYS 17 1.557 9.138 9.138 135 HA LYS 17 HA LYS 17 2.084 11.325 11.325 136 1HB LYS 17 1HB LYS 17 2.516 8.286 8.286 137 2HB LYS 17 2HB LYS 17 2.577 9.082 9.082 138 1HG LYS 17 1HG LYS 17 4.220 10.341 10.341 139 2HG LYS 17 2HG LYS 17 4.773 8.787 8.787 140 1HD LYS 17 1HD LYS 17 4.554 10.036 10.036 141 2HD LYS 17 2HD LYS 17 4.549 11.509 11.509 142 1HE LYS 17 1HE LYS 17 6.640 9.579 9.579 143 2HE LYS 17 2HE LYS 17 6.888 10.023 10.023 144 1HZ LYS 17 1HZ LYS 17 6.363 12.411 12.411 145 2HZ LYS 17 2HZ LYS 17 6.870 11.751 11.751 146 3HZ LYS 17 3HZ LYS 17 7.902 11.746 11.746 147 H LYS 18 H LYS 18 -0.501 9.303 9.303 148 HA LYS 18 HA LYS 18 -2.512 8.756 8.756 149 1HB LYS 18 1HB LYS 18 -1.800 11.398 11.398 150 2HB LYS 18 2HB LYS 18 -3.073 10.379 10.379 151 1HG LYS 18 1HG LYS 18 -4.509 10.696 10.696 152 2HG LYS 18 2HG LYS 18 -3.165 10.951 10.951 153 1HD LYS 18 1HD LYS 18 -3.510 13.203 13.203 154 2HD LYS 18 2HD LYS 18 -3.135 13.128 13.128 155 1HE LYS 18 1HE LYS 18 -5.375 13.168 13.168 156 2HE LYS 18 2HE LYS 18 -5.870 12.022 12.022 157 1HZ LYS 18 1HZ LYS 18 -5.700 13.800 13.800 158 2HZ LYS 18 2HZ LYS 18 -5.246 14.897 14.897 159 3HZ LYS 18 3HZ LYS 18 -6.777 14.202 14.202 160 H LEU 19 H LEU 19 -1.342 6.932 6.932 161 HA LEU 19 HA LEU 19 -0.669 6.654 6.654 162 1HB LEU 19 1HB LEU 19 0.897 5.782 5.782 163 2HB LEU 19 2HB LEU 19 0.931 4.710 4.710 164 HG LEU 19 HG LEU 19 2.442 5.981 5.981 165 1HD1 LEU 19 1HD1 LEU 19 0.951 8.485 8.485 166 2HD1 LEU 19 2HD1 LEU 19 2.432 8.579 8.579 167 3HD1 LEU 19 3HD1 LEU 19 0.966 7.816 7.816 168 1HD2 LEU 19 1HD2 LEU 19 2.715 6.889 6.889 169 2HD2 LEU 19 2HD2 LEU 19 3.850 5.941 5.941 170 3HD2 LEU 19 3HD2 LEU 19 3.698 7.703 7.703 171 H LYS 20 H LYS 20 -0.414 4.304 4.304 172 HA LYS 20 HA LYS 20 -2.899 2.861 2.861 173 1HB LYS 20 1HB LYS 20 -0.943 1.551 1.551 174 2HB LYS 20 2HB LYS 20 -2.701 1.528 1.528 175 1HG LYS 20 1HG LYS 20 -1.116 4.115 4.115 176 2HG LYS 20 2HG LYS 20 -1.445 2.909 2.909 177 1HD LYS 20 1HD LYS 20 -3.562 4.388 4.388 178 2HD LYS 20 2HD LYS 20 -3.051 4.875 4.875 179 1HE LYS 20 1HE LYS 20 -4.013 1.985 1.985 180 2HE LYS 20 2HE LYS 20 -5.206 3.271 3.271 181 1HZ LYS 20 1HZ LYS 20 -3.221 3.637 3.637 182 2HZ LYS 20 2HZ LYS 20 -3.602 1.998 1.998 183 3HZ LYS 20 3HZ LYS 20 -4.814 3.144 3.144 184 H CYS 21 H CYS 21 -2.966 0.853 0.853 185 HA CYS 21 HA CYS 21 -0.309 -0.115 -0.115 186 1HB CYS 21 1HB CYS 21 -1.724 1.421 1.421 187 2HB CYS 21 2HB CYS 21 -2.914 0.115 0.115 188 H SER 22 H SER 22 -0.693 -1.545 -1.545 189 HA SER 22 HA SER 22 -2.437 -3.739 -3.739 190 1HB SER 22 1HB SER 22 -0.327 -5.212 -5.212 191 2HB SER 22 2HB SER 22 -0.599 -3.831 -3.831 192 HG SER 22 HG SER 22 0.861 -3.045 -3.045 193 H LYS 23 H LYS 23 -0.304 -3.116 -3.116 194 HA LYS 23 HA LYS 23 -0.855 -3.781 -3.781 195 1HB LYS 23 1HB LYS 23 -2.789 -5.680 -5.680 196 2HB LYS 23 2HB LYS 23 -2.486 -5.886 -5.886 197 1HG LYS 23 1HG LYS 23 -3.586 -3.854 -3.854 198 2HG LYS 23 2HG LYS 23 -3.148 -3.053 -3.053 199 1HD LYS 23 1HD LYS 23 -4.968 -4.284 -4.284 200 2HD LYS 23 2HD LYS 23 -5.270 -5.293 -5.293 201 1HE LYS 23 1HE LYS 23 -5.412 -2.728 -2.728 202 2HE LYS 23 2HE LYS 23 -6.059 -2.400 -2.400 203 1HZ LYS 23 1HZ LYS 23 -7.187 -4.805 -4.805 204 2HZ LYS 23 2HZ LYS 23 -7.255 -3.842 -3.842 205 3HZ LYS 23 3HZ LYS 23 -7.938 -3.302 -3.302 206 H GLU 24 H GLU 24 0.651 -5.577 -5.577 207 HA GLU 24 HA GLU 24 1.624 -7.853 -7.853 208 1HB GLU 24 1HB GLU 24 3.986 -7.183 -7.183 209 2HB GLU 24 2HB GLU 24 2.676 -7.501 -7.501 210 1HG GLU 24 1HG GLU 24 2.394 -5.073 -5.073 211 2HG GLU 24 2HG GLU 24 3.504 -4.624 -4.624 212 H LYS 25 H LYS 25 3.605 -8.321 -8.321 213 HA LYS 25 HA LYS 25 4.085 -6.358 -6.358 214 1HB LYS 25 1HB LYS 25 2.873 -9.184 -9.184 215 2HB LYS 25 2HB LYS 25 3.770 -8.500 -8.500 216 1HG LYS 25 1HG LYS 25 1.906 -6.425 -6.425 217 2HG LYS 25 2HG LYS 25 0.998 -7.932 -7.932 218 1HD LYS 25 1HD LYS 25 2.256 -6.516 -6.516 219 2HD LYS 25 2HD LYS 25 0.619 -7.178 -7.178 220 1HE LYS 25 1HE LYS 25 2.078 -9.528 -9.528 221 2HE LYS 25 2HE LYS 25 3.188 -8.643 -8.643 222 1HZ LYS 25 1HZ LYS 25 0.407 -8.415 -8.415 223 2HZ LYS 25 2HZ LYS 25 1.024 -9.978 -9.978 224 3HZ LYS 25 3HZ LYS 25 1.768 -8.737 -8.737 225 HA PRO 26 HA PRO 26 5.116 -6.511 -6.511 226 1HB PRO 26 1HB PRO 26 7.387 -5.059 -5.059 227 2HB PRO 26 2HB PRO 26 7.155 -6.833 -6.833 228 1HG PRO 26 1HG PRO 26 8.463 -5.970 -5.970 229 2HG PRO 26 2HG PRO 26 9.204 -6.823 -6.823 230 1HD PRO 26 1HD PRO 26 8.199 -8.054 -8.054 231 2HD PRO 26 2HD PRO 26 7.724 -8.697 -8.697 232 H LYS 27 H LYS 27 7.296 -5.229 -5.229 233 HA LYS 27 HA LYS 27 5.739 -2.618 -2.618 234 1HB LYS 27 1HB LYS 27 7.574 -1.888 -1.888 235 2HB LYS 27 2HB LYS 27 8.070 -2.098 -2.098 236 1HG LYS 27 1HG LYS 27 8.678 -4.612 -4.612 237 2HG LYS 27 2HG LYS 27 8.568 -3.978 -3.978 238 1HD LYS 27 1HD LYS 27 10.589 -2.833 -2.833 239 2HD LYS 27 2HD LYS 27 10.275 -2.373 -2.373 240 1HE LYS 27 1HE LYS 27 11.009 -4.476 -4.476 241 2HE LYS 27 2HE LYS 27 10.698 -5.357 -5.357 242 1HZ LYS 27 1HZ LYS 27 12.493 -3.586 -3.586 243 2HZ LYS 27 2HZ LYS 27 12.999 -3.744 -3.744 244 3HZ LYS 27 3HZ LYS 27 12.898 -5.101 -5.101 245 H CYS 28 H CYS 28 4.406 -1.963 -1.963 246 HA CYS 28 HA CYS 28 3.456 -3.744 -3.744 247 1HB CYS 28 1HB CYS 28 2.702 -1.476 -1.476 248 2HB CYS 28 2HB CYS 28 2.006 -1.914 -1.914 249 H ALA 29 H ALA 29 3.452 -2.736 -2.736 250 HA ALA 29 HA ALA 29 6.136 -3.130 -3.130 251 1HB ALA 29 1HB ALA 29 3.947 -3.414 -3.414 252 2HB ALA 29 2HB ALA 29 3.626 -1.669 -1.669 253 3HB ALA 29 3HB ALA 29 4.999 -2.252 -2.252 254 H LYS 30 H LYS 30 4.214 -0.313 -0.313 255 HA LYS 30 HA LYS 30 5.876 1.818 1.818 256 1HB LYS 30 1HB LYS 30 3.678 1.435 1.435 257 2HB LYS 30 2HB LYS 30 4.916 2.086 2.086 258 1HG LYS 30 1HG LYS 30 3.164 3.670 3.670 259 2HG LYS 30 2HG LYS 30 4.744 4.231 4.231 260 1HD LYS 30 1HD LYS 30 5.240 3.021 3.021 261 2HD LYS 30 2HD LYS 30 3.644 3.772 3.772 262 1HE LYS 30 1HE LYS 30 4.636 5.939 5.939 263 2HE LYS 30 2HE LYS 30 6.238 5.199 5.199 264 1HZ LYS 30 1HZ LYS 30 5.600 4.795 4.795 265 2HZ LYS 30 2HZ LYS 30 4.378 5.923 5.923 266 3HZ LYS 30 3HZ LYS 30 5.986 6.364 6.364 267 H CYS 31 H CYS 31 5.997 0.746 0.746 268 HA CYS 31 HA CYS 31 8.344 2.377 2.377 269 1HB CYS 31 1HB CYS 31 7.313 -0.076 -0.076 270 2HB CYS 31 2HB CYS 31 8.409 1.144 1.144 271 H LEU 32 H LEU 32 8.039 -0.962 -0.962 272 HA LEU 32 HA LEU 32 10.913 -1.570 -1.570 273 1HB LEU 32 1HB LEU 32 8.954 -3.277 -3.277 274 2HB LEU 32 2HB LEU 32 8.977 -2.818 -2.818 275 HG LEU 32 HG LEU 32 11.098 -4.389 -4.389 276 1HD1 LEU 32 1HD1 LEU 32 9.076 -5.608 -5.608 277 2HD1 LEU 32 2HD1 LEU 32 9.625 -5.096 -5.096 278 3HD1 LEU 32 3HD1 LEU 32 10.650 -6.174 -6.174 279 1HD2 LEU 32 1HD2 LEU 32 12.252 -2.659 -2.659 280 2HD2 LEU 32 2HD2 LEU 32 12.569 -4.326 -4.326 281 3HD2 LEU 32 3HD2 LEU 32 11.396 -3.307 -3.307 282 H LYS 33 H LYS 33 9.097 -0.101 -0.101 283 HA LYS 33 HA LYS 33 11.325 -0.215 -0.215 284 1HB LYS 33 1HB LYS 33 8.794 1.570 1.570 285 2HB LYS 33 2HB LYS 33 9.948 1.761 1.761 286 1HG LYS 33 1HG LYS 33 9.332 -1.060 -1.060 287 2HG LYS 33 2HG LYS 33 7.797 -0.280 -0.280 288 1HD LYS 33 1HD LYS 33 8.824 1.226 1.226 289 2HD LYS 33 2HD LYS 33 9.365 -0.428 -0.428 290 1HE LYS 33 1HE LYS 33 6.839 -1.095 -1.095 291 2HE LYS 33 2HE LYS 33 6.478 0.587 0.587 292 1HZ LYS 33 1HZ LYS 33 8.033 -1.121 -1.121 293 2HZ LYS 33 2HZ LYS 33 6.351 -1.154 -1.154 294 3HZ LYS 33 3HZ LYS 33 7.160 0.278 0.278 295 H ASN 34 H ASN 34 10.395 1.776 1.776 296 HA ASN 34 HA ASN 34 12.445 3.900 3.900 297 1HB ASN 34 1HB ASN 34 9.881 4.071 4.071 298 2HB ASN 34 2HB ASN 34 10.872 5.446 5.446 299 1HD2 ASN 34 1HD2 ASN 34 8.881 5.877 5.877 300 2HD2 ASN 34 2HD2 ASN 34 9.829 6.639 6.639 301 H ASN 35 H ASN 35 12.596 1.357 1.357 302 HA ASN 35 HA ASN 35 13.033 0.844 0.844 303 1HB ASN 35 1HB ASN 35 15.183 2.684 2.684 304 2HB ASN 35 2HB ASN 35 15.311 1.033 1.033 305 1HD2 ASN 35 1HD2 ASN 35 15.630 2.716 2.716 306 2HD2 ASN 35 2HD2 ASN 35 14.381 1.544 1.544 307 H TRP 36 H TRP 36 11.143 1.528 1.528 308 HA TRP 36 HA TRP 36 11.329 4.183 4.183 309 1HB TRP 36 1HB TRP 36 9.006 2.868 2.868 310 2HB TRP 36 2HB TRP 36 8.629 4.015 4.015 311 HD1 TRP 36 HD1 TRP 36 11.539 5.723 5.723 312 HE1 TRP 36 HE1 TRP 36 11.181 7.569 7.569 313 HE3 TRP 36 HE3 TRP 36 7.158 3.849 3.849 314 HZ2 TRP 36 HZ2 TRP 36 9.092 8.020 8.020 315 HZ3 TRP 36 HZ3 TRP 36 6.090 4.945 4.945 316 HH2 TRP 36 HH2 TRP 36 6.995 7.039 7.039 317 H GLU 37 H GLU 37 9.494 4.197 4.197 318 HA GLU 37 HA GLU 37 9.935 1.616 1.616 319 1HB GLU 37 1HB GLU 37 10.818 3.749 3.749 320 2HB GLU 37 2HB GLU 37 9.246 4.508 4.508 321 1HG GLU 37 1HG GLU 37 8.888 2.106 2.106 322 2HG GLU 37 2HG GLU 37 10.352 2.869 2.869 323 H CYS 38 H CYS 38 8.198 1.049 1.049 324 HA CYS 38 HA CYS 38 5.469 1.570 1.570 325 1HB CYS 38 1HB CYS 38 6.595 -0.207 -0.207 326 2HB CYS 38 2HB CYS 38 6.562 -1.334 -1.334 327 H ARG 39 H ARG 39 4.600 2.100 2.100 328 HA ARG 39 HA ARG 39 4.517 0.049 0.049 329 1HB ARG 39 1HB ARG 39 4.577 2.847 2.847 330 2HB ARG 39 2HB ARG 39 2.846 2.583 2.583 331 1HG ARG 39 1HG ARG 39 3.165 2.373 2.373 332 2HG ARG 39 2HG ARG 39 3.783 0.762 0.762 333 1HD ARG 39 1HD ARG 39 6.137 1.755 1.755 334 2HD ARG 39 2HD ARG 39 5.467 3.351 3.351 335 HE ARG 39 HE ARG 39 4.472 1.655 1.655 336 1HH1 ARG 39 1HH1 ARG 39 7.675 2.379 2.379 337 2HH1 ARG 39 2HH1 ARG 39 8.416 2.063 2.063 338 1HH2 ARG 39 1HH2 ARG 39 5.344 1.324 1.324 339 2HH2 ARG 39 2HH2 ARG 39 7.154 1.488 1.488 340 H TYR 40 H TYR 40 2.760 -1.098 -1.098 341 HA TYR 40 HA TYR 40 0.280 -0.672 -0.672 342 1HB TYR 40 1HB TYR 40 1.618 -3.213 -3.213 343 2HB TYR 40 2HB TYR 40 -0.112 -3.235 -3.235 344 HD1 TYR 40 HD1 TYR 40 2.322 -1.611 -1.611 345 HD2 TYR 40 HD2 TYR 40 -0.086 -5.069 -5.069 346 HE1 TYR 40 HE1 TYR 40 1.921 -1.947 -1.947 347 HE2 TYR 40 HE2 TYR 40 -0.035 -5.659 -5.659 348 HH TYR 40 HH TYR 40 0.500 -3.152 -3.152 349 H SER 41 H SER 41 1.551 -1.021 -1.021 350 HA SER 41 HA SER 41 -0.440 -0.088 -0.088 351 1HB SER 41 1HB SER 41 -2.098 -1.819 -1.819 352 2HB SER 41 2HB SER 41 -2.213 -1.479 -1.479 353 HG SER 41 HG SER 41 -0.937 -3.376 -3.376 354 HA PRO 42 HA PRO 42 1.517 -1.742 -1.742 355 1HB PRO 42 1HB PRO 42 -0.692 -3.847 -3.847 356 2HB PRO 42 2HB PRO 42 0.123 -2.904 -2.904 357 1HG PRO 42 1HG PRO 42 -2.299 -2.073 -2.073 358 2HG PRO 42 2HG PRO 42 -0.898 -0.941 -0.941 359 1HD PRO 42 1HD PRO 42 -1.927 -2.057 -2.057 360 2HD PRO 42 2HD PRO 42 -1.290 -0.370 -0.370 361 H LYS 43 H LYS 43 0.349 -4.262 -4.262 362 HA LYS 43 HA LYS 43 3.124 -5.139 -5.139 363 1HB LYS 43 1HB LYS 43 2.801 -7.539 -7.539 364 2HB LYS 43 2HB LYS 43 3.094 -6.283 -6.283 365 1HG LYS 43 1HG LYS 43 0.163 -6.815 -6.815 366 2HG LYS 43 2HG LYS 43 1.018 -8.134 -8.134 367 1HD LYS 43 1HD LYS 43 1.696 -6.381 -6.381 368 2HD LYS 43 2HD LYS 43 0.614 -5.238 -5.238 369 1HE LYS 43 1HE LYS 43 -1.101 -7.412 -7.412 370 2HE LYS 43 2HE LYS 43 -0.121 -7.762 -7.762 371 1HZ LYS 43 1HZ LYS 43 -1.172 -5.035 -5.035 372 2HZ LYS 43 2HZ LYS 43 -2.106 -6.223 -6.223 373 3HZ LYS 43 3HZ LYS 43 -0.658 -5.735 -5.735 Start of MODEL 15 1 1H MET 1 1H MET 1 -16.243 4.399 4.399 2 2H MET 1 2H MET 1 -17.613 4.948 4.948 3 3H MET 1 3H MET 1 -16.262 4.458 4.458 4 HA MET 1 HA MET 1 -15.092 6.313 6.313 5 1HB MET 1 1HB MET 1 -17.551 6.733 6.733 6 2HB MET 1 2HB MET 1 -17.880 7.501 7.501 7 1HG MET 1 1HG MET 1 -17.231 9.369 9.369 8 2HG MET 1 2HG MET 1 -15.698 8.954 8.954 9 1HE MET 1 1HE MET 1 -13.874 8.539 8.539 10 2HE MET 1 2HE MET 1 -13.361 7.724 7.724 11 3HE MET 1 3HE MET 1 -13.589 9.499 9.499 12 H LYS 2 H LYS 2 -14.684 5.044 5.044 13 HA LYS 2 HA LYS 2 -13.481 5.797 5.797 14 1HB LYS 2 1HB LYS 2 -13.931 8.267 8.267 15 2HB LYS 2 2HB LYS 2 -15.254 8.312 8.312 16 1HG LYS 2 1HG LYS 2 -12.973 9.277 9.277 17 2HG LYS 2 2HG LYS 2 -13.776 8.148 8.148 18 1HD LYS 2 1HD LYS 2 -11.374 7.687 7.687 19 2HD LYS 2 2HD LYS 2 -12.202 6.327 6.327 20 1HE LYS 2 1HE LYS 2 -11.825 7.416 7.416 21 2HE LYS 2 2HE LYS 2 -10.927 8.729 8.729 22 1HZ LYS 2 1HZ LYS 2 -9.384 7.095 7.095 23 2HZ LYS 2 2HZ LYS 2 -10.220 5.842 5.842 24 3HZ LYS 2 3HZ LYS 2 -9.444 7.008 7.008 25 H LEU 3 H LEU 3 -16.974 6.047 6.047 26 HA LEU 3 HA LEU 3 -17.088 4.926 4.926 27 1HB LEU 3 1HB LEU 3 -17.543 7.316 7.316 28 2HB LEU 3 2HB LEU 3 -18.592 7.387 7.387 29 HG LEU 3 HG LEU 3 -19.619 7.450 7.450 30 1HD1 LEU 3 1HD1 LEU 3 -20.720 7.021 7.021 31 2HD1 LEU 3 2HD1 LEU 3 -21.094 5.429 5.429 32 3HD1 LEU 3 3HD1 LEU 3 -21.688 6.918 6.918 33 1HD2 LEU 3 1HD2 LEU 3 -18.387 4.982 4.982 34 2HD2 LEU 3 2HD2 LEU 3 -19.856 5.487 5.487 35 3HD2 LEU 3 3HD2 LEU 3 -19.976 4.452 4.452 36 H LEU 4 H LEU 4 -17.621 3.004 3.004 37 HA LEU 4 HA LEU 4 -20.273 2.224 2.224 38 1HB LEU 4 1HB LEU 4 -20.919 3.155 3.155 39 2HB LEU 4 2HB LEU 4 -19.485 2.520 2.520 40 HG LEU 4 HG LEU 4 -21.851 0.847 0.847 41 1HD1 LEU 4 1HD1 LEU 4 -21.071 1.725 1.725 42 2HD1 LEU 4 2HD1 LEU 4 -22.383 0.595 0.595 43 3HD1 LEU 4 3HD1 LEU 4 -22.488 2.292 2.292 44 1HD2 LEU 4 1HD2 LEU 4 -19.174 0.006 0.006 45 2HD2 LEU 4 2HD2 LEU 4 -20.371 -0.938 -0.938 46 3HD2 LEU 4 3HD2 LEU 4 -20.555 -0.727 -0.727 47 H SER 5 H SER 5 -17.306 1.555 1.555 48 HA SER 5 HA SER 5 -16.791 -0.841 -0.841 49 1HB SER 5 1HB SER 5 -18.618 -1.862 -1.862 50 2HB SER 5 2HB SER 5 -17.865 -1.380 -1.380 51 HG SER 5 HG SER 5 -16.246 -2.862 -2.862 52 H SER 6 H SER 6 -16.279 -0.400 -0.400 53 HA SER 6 HA SER 6 -14.308 0.233 0.233 54 1HB SER 6 1HB SER 6 -13.131 1.164 1.164 55 2HB SER 6 2HB SER 6 -12.594 1.666 1.666 56 HG SER 6 HG SER 6 -14.205 3.042 3.042 57 H ILE 7 H ILE 7 -11.979 -0.170 -0.170 58 HA ILE 7 HA ILE 7 -10.645 -2.256 -2.256 59 HB ILE 7 HB ILE 7 -13.194 -3.315 -3.315 60 1HG1 ILE 7 1HG1 ILE 7 -11.587 -4.137 -4.137 61 2HG1 ILE 7 2HG1 ILE 7 -12.710 -5.257 -5.257 62 1HG2 ILE 7 1HG2 ILE 7 -10.964 -4.534 -4.534 63 2HG2 ILE 7 2HG2 ILE 7 -12.544 -5.300 -5.300 64 3HG2 ILE 7 3HG2 ILE 7 -12.469 -3.763 -3.763 65 1HD1 ILE 7 1HD1 ILE 7 -9.942 -5.224 -5.224 66 2HD1 ILE 7 2HD1 ILE 7 -10.150 -5.987 -5.987 67 3HD1 ILE 7 3HD1 ILE 7 -11.076 -6.572 -6.572 68 H GLU 8 H GLU 8 -11.416 -0.875 -0.875 69 HA GLU 8 HA GLU 8 -9.482 -1.923 -1.923 70 1HB GLU 8 1HB GLU 8 -9.736 1.105 1.105 71 2HB GLU 8 2HB GLU 8 -9.445 0.282 0.282 72 1HG GLU 8 1HG GLU 8 -12.097 0.656 0.656 73 2HG GLU 8 2HG GLU 8 -11.730 1.040 1.040 74 H GLN 9 H GLN 9 -7.843 -2.838 -2.838 75 HA GLN 9 HA GLN 9 -5.853 -1.305 -1.305 76 1HB GLN 9 1HB GLN 9 -5.576 -3.597 -3.597 77 2HB GLN 9 2HB GLN 9 -6.093 -4.004 -4.004 78 1HG GLN 9 1HG GLN 9 -3.900 -4.142 -4.142 79 2HG GLN 9 2HG GLN 9 -3.435 -2.628 -2.628 80 1HE2 GLN 9 1HE2 GLN 9 -2.395 -4.639 -4.639 81 2HE2 GLN 9 2HE2 GLN 9 -3.537 -3.218 -3.218 82 H ALA 10 H ALA 10 -4.002 -0.387 -0.387 83 HA ALA 10 HA ALA 10 -2.723 -0.602 -0.602 84 1HB ALA 10 1HB ALA 10 -4.739 0.619 0.619 85 2HB ALA 10 2HB ALA 10 -4.480 1.950 1.950 86 3HB ALA 10 3HB ALA 10 -3.308 1.657 1.657 87 H CYS 11 H CYS 11 -0.813 0.675 0.675 88 HA CYS 11 HA CYS 11 0.232 1.030 1.030 89 1HB CYS 11 1HB CYS 11 2.446 1.199 1.199 90 2HB CYS 11 2HB CYS 11 1.521 -0.128 -0.128 91 H ASP 12 H ASP 12 1.842 2.759 2.759 92 HA ASP 12 HA ASP 12 0.320 5.265 5.265 93 1HB ASP 12 1HB ASP 12 2.181 4.585 4.585 94 2HB ASP 12 2HB ASP 12 3.365 4.885 4.885 95 H ILE 13 H ILE 13 3.142 4.246 4.246 96 HA ILE 13 HA ILE 13 3.620 6.772 6.772 97 HB ILE 13 HB ILE 13 4.223 3.864 3.864 98 1HG1 ILE 13 1HG1 ILE 13 5.885 4.880 4.880 99 2HG1 ILE 13 2HG1 ILE 13 6.632 4.778 4.778 100 1HG2 ILE 13 1HG2 ILE 13 3.677 4.783 4.783 101 2HG2 ILE 13 2HG2 ILE 13 4.886 6.070 6.070 102 3HG2 ILE 13 3HG2 ILE 13 5.363 4.359 4.359 103 1HD1 ILE 13 1HD1 ILE 13 6.175 7.168 7.168 104 2HD1 ILE 13 2HD1 ILE 13 5.403 7.373 7.373 105 3HD1 ILE 13 3HD1 ILE 13 7.142 7.004 7.004 106 H CYS 14 H CYS 14 1.190 4.460 4.460 107 HA CYS 14 HA CYS 14 0.624 5.735 5.735 108 1HB CYS 14 1HB CYS 14 -0.578 3.424 3.424 109 2HB CYS 14 2HB CYS 14 -1.582 4.169 4.169 110 H ARG 15 H ARG 15 -0.793 5.787 5.787 111 HA ARG 15 HA ARG 15 -2.911 7.609 7.609 112 1HB ARG 15 1HB ARG 15 -1.096 7.016 7.016 113 2HB ARG 15 2HB ARG 15 -1.854 8.596 8.596 114 1HG ARG 15 1HG ARG 15 -3.849 7.629 7.629 115 2HG ARG 15 2HG ARG 15 -3.924 6.635 6.635 116 1HD ARG 15 1HD ARG 15 -2.121 5.100 5.100 117 2HD ARG 15 2HD ARG 15 -2.659 5.978 5.978 118 HE ARG 15 HE ARG 15 -4.431 4.299 4.299 119 1HH1 ARG 15 1HH1 ARG 15 -4.008 5.950 5.950 120 2HH1 ARG 15 2HH1 ARG 15 -5.532 5.193 5.193 121 1HH2 ARG 15 1HH2 ARG 15 -6.058 3.512 3.512 122 2HH2 ARG 15 2HH2 ARG 15 -6.651 3.868 3.868 123 H LEU 16 H LEU 16 0.418 8.513 8.513 124 HA LEU 16 HA LEU 16 -0.212 11.409 11.409 125 1HB LEU 16 1HB LEU 16 2.402 9.803 9.803 126 2HB LEU 16 2HB LEU 16 2.406 11.552 11.552 127 HG LEU 16 HG LEU 16 1.253 11.832 11.832 128 1HD1 LEU 16 1HD1 LEU 16 -0.456 10.012 10.012 129 2HD1 LEU 16 2HD1 LEU 16 0.780 8.771 8.771 130 3HD1 LEU 16 3HD1 LEU 16 0.308 9.917 9.917 131 1HD2 LEU 16 1HD2 LEU 16 3.338 9.557 9.557 132 2HD2 LEU 16 2HD2 LEU 16 3.657 11.309 11.309 133 3HD2 LEU 16 3HD2 LEU 16 2.729 10.572 10.572 134 H LYS 17 H LYS 17 1.471 9.016 9.016 135 HA LYS 17 HA LYS 17 2.411 11.107 11.107 136 1HB LYS 17 1HB LYS 17 2.627 8.049 8.049 137 2HB LYS 17 2HB LYS 17 2.976 8.789 8.789 138 1HG LYS 17 1HG LYS 17 4.421 10.355 10.355 139 2HG LYS 17 2HG LYS 17 4.658 8.662 8.662 140 1HD LYS 17 1HD LYS 17 5.717 8.218 8.218 141 2HD LYS 17 2HD LYS 17 5.085 9.715 9.715 142 1HE LYS 17 1HE LYS 17 6.405 10.899 10.899 143 2HE LYS 17 2HE LYS 17 7.358 9.407 9.407 144 1HZ LYS 17 1HZ LYS 17 7.172 9.998 9.998 145 2HZ LYS 17 2HZ LYS 17 7.284 11.526 11.526 146 3HZ LYS 17 3HZ LYS 17 8.473 10.375 10.375 147 H LYS 18 H LYS 18 -0.394 9.290 9.290 148 HA LYS 18 HA LYS 18 -2.298 8.937 8.937 149 1HB LYS 18 1HB LYS 18 -1.281 11.324 11.324 150 2HB LYS 18 2HB LYS 18 -2.908 10.653 10.653 151 1HG LYS 18 1HG LYS 18 -3.385 11.632 11.632 152 2HG LYS 18 2HG LYS 18 -1.707 11.539 11.539 153 1HD LYS 18 1HD LYS 18 -2.137 13.426 13.426 154 2HD LYS 18 2HD LYS 18 -3.147 13.813 13.813 155 1HE LYS 18 1HE LYS 18 -1.074 14.983 14.983 156 2HE LYS 18 2HE LYS 18 -0.982 13.548 13.548 157 1HZ LYS 18 1HZ LYS 18 0.138 12.475 12.475 158 2HZ LYS 18 2HZ LYS 18 0.400 14.057 14.057 159 3HZ LYS 18 3HZ LYS 18 1.025 13.531 13.531 160 H LEU 19 H LEU 19 -1.164 7.050 7.050 161 HA LEU 19 HA LEU 19 -0.745 6.720 6.720 162 1HB LEU 19 1HB LEU 19 0.985 4.805 4.805 163 2HB LEU 19 2HB LEU 19 1.423 6.030 6.030 164 HG LEU 19 HG LEU 19 1.165 7.158 7.158 165 1HD1 LEU 19 1HD1 LEU 19 2.334 4.511 4.511 166 2HD1 LEU 19 2HD1 LEU 19 3.685 5.653 5.653 167 3HD1 LEU 19 3HD1 LEU 19 2.378 5.622 5.622 168 1HD2 LEU 19 1HD2 LEU 19 3.107 7.301 7.301 169 2HD2 LEU 19 2HD2 LEU 19 2.398 8.614 8.614 170 3HD2 LEU 19 3HD2 LEU 19 3.758 7.670 7.670 171 H LYS 20 H LYS 20 -0.380 4.291 4.291 172 HA LYS 20 HA LYS 20 -2.928 3.023 3.023 173 1HB LYS 20 1HB LYS 20 -1.769 1.140 1.140 174 2HB LYS 20 2HB LYS 20 -3.014 2.306 2.306 175 1HG LYS 20 1HG LYS 20 -0.277 3.544 3.544 176 2HG LYS 20 2HG LYS 20 -0.384 2.089 2.089 177 1HD LYS 20 1HD LYS 20 -2.037 4.681 4.681 178 2HD LYS 20 2HD LYS 20 -0.936 4.015 4.015 179 1HE LYS 20 1HE LYS 20 -3.398 2.396 2.396 180 2HE LYS 20 2HE LYS 20 -3.555 3.607 3.607 181 1HZ LYS 20 1HZ LYS 20 -1.720 2.492 2.492 182 2HZ LYS 20 2HZ LYS 20 -1.681 1.296 1.296 183 3HZ LYS 20 3HZ LYS 20 -3.053 1.491 1.491 184 H CYS 21 H CYS 21 -3.078 1.016 1.016 185 HA CYS 21 HA CYS 21 -0.438 -0.022 -0.022 186 1HB CYS 21 1HB CYS 21 -1.858 1.564 1.564 187 2HB CYS 21 2HB CYS 21 -3.009 0.226 0.226 188 H SER 22 H SER 22 -0.962 -1.388 -1.388 189 HA SER 22 HA SER 22 -2.719 -3.574 -3.574 190 1HB SER 22 1HB SER 22 -0.548 -5.045 -5.045 191 2HB SER 22 2HB SER 22 -1.057 -3.796 -3.796 192 HG SER 22 HG SER 22 1.231 -4.011 -4.011 193 H LYS 23 H LYS 23 -0.373 -3.005 -3.005 194 HA LYS 23 HA LYS 23 -0.843 -3.609 -3.609 195 1HB LYS 23 1HB LYS 23 -2.802 -5.657 -5.657 196 2HB LYS 23 2HB LYS 23 -2.524 -5.556 -5.556 197 1HG LYS 23 1HG LYS 23 -3.720 -3.522 -3.522 198 2HG LYS 23 2HG LYS 23 -3.207 -2.922 -2.922 199 1HD LYS 23 1HD LYS 23 -4.975 -4.134 -4.134 200 2HD LYS 23 2HD LYS 23 -5.186 -5.263 -5.263 201 1HE LYS 23 1HE LYS 23 -5.677 -2.932 -2.932 202 2HE LYS 23 2HE LYS 23 -6.157 -2.362 -2.362 203 1HZ LYS 23 1HZ LYS 23 -7.466 -4.539 -4.539 204 2HZ LYS 23 2HZ LYS 23 -7.262 -4.641 -4.641 205 3HZ LYS 23 3HZ LYS 23 -8.060 -3.321 -3.321 206 H GLU 24 H GLU 24 0.568 -5.417 -5.417 207 HA GLU 24 HA GLU 24 1.535 -7.732 -7.732 208 1HB GLU 24 1HB GLU 24 3.909 -6.972 -6.972 209 2HB GLU 24 2HB GLU 24 2.604 -7.397 -7.397 210 1HG GLU 24 1HG GLU 24 2.102 -4.813 -4.813 211 2HG GLU 24 2HG GLU 24 3.608 -4.543 -4.543 212 H LYS 25 H LYS 25 3.466 -8.241 -8.241 213 HA LYS 25 HA LYS 25 4.052 -6.259 -6.259 214 1HB LYS 25 1HB LYS 25 2.833 -9.083 -9.083 215 2HB LYS 25 2HB LYS 25 3.629 -8.240 -8.240 216 1HG LYS 25 1HG LYS 25 1.296 -6.936 -6.936 217 2HG LYS 25 2HG LYS 25 1.000 -8.043 -8.043 218 1HD LYS 25 1HD LYS 25 2.816 -5.580 -5.580 219 2HD LYS 25 2HD LYS 25 1.050 -5.416 -5.416 220 1HE LYS 25 1HE LYS 25 2.523 -7.507 -7.507 221 2HE LYS 25 2HE LYS 25 2.255 -5.853 -5.853 222 1HZ LYS 25 1HZ LYS 25 -0.171 -6.297 -6.297 223 2HZ LYS 25 2HZ LYS 25 0.258 -7.918 -7.918 224 3HZ LYS 25 3HZ LYS 25 0.376 -6.917 -6.917 225 HA PRO 26 HA PRO 26 5.045 -6.670 -6.670 226 1HB PRO 26 1HB PRO 26 7.374 -5.353 -5.353 227 2HB PRO 26 2HB PRO 26 7.073 -7.165 -7.165 228 1HG PRO 26 1HG PRO 26 8.399 -6.131 -6.131 229 2HG PRO 26 2HG PRO 26 9.125 -7.116 -7.116 230 1HD PRO 26 1HD PRO 26 8.072 -8.158 -8.158 231 2HD PRO 26 2HD PRO 26 7.569 -8.893 -8.893 232 H LYS 27 H LYS 27 7.215 -5.302 -5.302 233 HA LYS 27 HA LYS 27 5.644 -2.679 -2.679 234 1HB LYS 27 1HB LYS 27 7.610 -2.077 -2.077 235 2HB LYS 27 2HB LYS 27 7.872 -1.983 -1.983 236 1HG LYS 27 1HG LYS 27 8.377 -4.710 -4.710 237 2HG LYS 27 2HG LYS 27 9.477 -3.429 -3.429 238 1HD LYS 27 1HD LYS 27 9.024 -3.572 -3.572 239 2HD LYS 27 2HD LYS 27 9.668 -5.076 -5.076 240 1HE LYS 27 1HE LYS 27 10.940 -2.455 -2.455 241 2HE LYS 27 2HE LYS 27 11.340 -2.999 -2.999 242 1HZ LYS 27 1HZ LYS 27 11.758 -5.258 -5.258 243 2HZ LYS 27 2HZ LYS 27 11.764 -4.444 -4.444 244 3HZ LYS 27 3HZ LYS 27 12.881 -4.039 -4.039 245 H CYS 28 H CYS 28 4.368 -2.001 -2.001 246 HA CYS 28 HA CYS 28 3.500 -3.760 -3.760 247 1HB CYS 28 1HB CYS 28 2.874 -1.464 -1.464 248 2HB CYS 28 2HB CYS 28 2.027 -1.947 -1.947 249 H ALA 29 H ALA 29 3.645 -2.867 -2.867 250 HA ALA 29 HA ALA 29 6.419 -3.246 -3.246 251 1HB ALA 29 1HB ALA 29 4.328 -3.680 -3.680 252 2HB ALA 29 2HB ALA 29 3.941 -1.943 -1.943 253 3HB ALA 29 3HB ALA 29 5.395 -2.525 -2.525 254 H LYS 30 H LYS 30 4.334 -0.486 -0.486 255 HA LYS 30 HA LYS 30 5.917 1.713 1.713 256 1HB LYS 30 1HB LYS 30 3.669 1.260 1.260 257 2HB LYS 30 2HB LYS 30 4.834 1.842 1.842 258 1HG LYS 30 1HG LYS 30 3.160 3.462 3.462 259 2HG LYS 30 2HG LYS 30 4.537 4.027 4.027 260 1HD LYS 30 1HD LYS 30 5.375 4.809 4.809 261 2HD LYS 30 2HD LYS 30 5.680 3.130 3.130 262 1HE LYS 30 1HE LYS 30 2.831 3.524 3.524 263 2HE LYS 30 2HE LYS 30 3.592 4.986 4.986 264 1HZ LYS 30 1HZ LYS 30 5.115 3.578 3.578 265 2HZ LYS 30 2HZ LYS 30 4.355 2.195 2.195 266 3HZ LYS 30 3HZ LYS 30 3.508 3.276 3.276 267 H CYS 31 H CYS 31 6.010 0.606 0.606 268 HA CYS 31 HA CYS 31 8.249 2.368 2.368 269 1HB CYS 31 1HB CYS 31 7.299 -0.136 -0.136 270 2HB CYS 31 2HB CYS 31 8.307 1.152 1.152 271 H LEU 32 H LEU 32 8.138 -0.995 -0.995 272 HA LEU 32 HA LEU 32 11.017 -1.448 -1.448 273 1HB LEU 32 1HB LEU 32 9.386 -3.360 -3.360 274 2HB LEU 32 2HB LEU 32 9.018 -2.859 -2.859 275 HG LEU 32 HG LEU 32 10.485 -4.946 -4.946 276 1HD1 LEU 32 1HD1 LEU 32 10.319 -3.610 -3.610 277 2HD1 LEU 32 2HD1 LEU 32 11.790 -2.745 -2.745 278 3HD1 LEU 32 3HD1 LEU 32 11.846 -4.509 -4.509 279 1HD2 LEU 32 1HD2 LEU 32 11.976 -3.968 -3.968 280 2HD2 LEU 32 2HD2 LEU 32 12.914 -4.629 -4.629 281 3HD2 LEU 32 3HD2 LEU 32 12.690 -2.871 -2.871 282 H LYS 33 H LYS 33 9.244 -0.066 -0.066 283 HA LYS 33 HA LYS 33 11.569 -0.252 -0.252 284 1HB LYS 33 1HB LYS 33 8.852 1.240 1.240 285 2HB LYS 33 2HB LYS 33 10.054 1.390 1.390 286 1HG LYS 33 1HG LYS 33 8.549 -1.169 -1.169 287 2HG LYS 33 2HG LYS 33 8.472 -0.357 -0.357 288 1HD LYS 33 1HD LYS 33 11.232 -1.072 -1.072 289 2HD LYS 33 2HD LYS 33 10.308 -2.441 -2.441 290 1HE LYS 33 1HE LYS 33 9.679 -3.127 -3.127 291 2HE LYS 33 2HE LYS 33 8.984 -1.541 -1.541 292 1HZ LYS 33 1HZ LYS 33 11.222 -0.729 -0.729 293 2HZ LYS 33 2HZ LYS 33 11.866 -2.252 -2.252 294 3HZ LYS 33 3HZ LYS 33 10.792 -2.031 -2.031 295 H ASN 34 H ASN 34 10.347 1.993 1.993 296 HA ASN 34 HA ASN 34 12.511 3.980 3.980 297 1HB ASN 34 1HB ASN 34 9.720 4.264 4.264 298 2HB ASN 34 2HB ASN 34 10.902 5.476 5.476 299 1HD2 ASN 34 1HD2 ASN 34 9.150 5.648 5.648 300 2HD2 ASN 34 2HD2 ASN 34 8.980 4.118 4.118 301 H ASN 35 H ASN 35 12.517 1.502 1.502 302 HA ASN 35 HA ASN 35 13.022 0.977 0.977 303 1HB ASN 35 1HB ASN 35 15.099 2.586 2.586 304 2HB ASN 35 2HB ASN 35 15.090 3.023 3.023 305 1HD2 ASN 35 1HD2 ASN 35 15.885 -0.891 -0.891 306 2HD2 ASN 35 2HD2 ASN 35 14.303 -0.290 -0.290 307 H TRP 36 H TRP 36 11.134 1.553 1.553 308 HA TRP 36 HA TRP 36 11.263 4.166 4.166 309 1HB TRP 36 1HB TRP 36 8.901 2.877 2.877 310 2HB TRP 36 2HB TRP 36 8.595 4.015 4.015 311 HD1 TRP 36 HD1 TRP 36 11.404 5.783 5.783 312 HE1 TRP 36 HE1 TRP 36 11.013 7.590 7.590 313 HE3 TRP 36 HE3 TRP 36 7.045 3.814 3.814 314 HZ2 TRP 36 HZ2 TRP 36 8.914 7.981 7.981 315 HZ3 TRP 36 HZ3 TRP 36 5.969 4.847 4.847 316 HH2 TRP 36 HH2 TRP 36 6.846 6.933 6.933 317 H GLU 37 H GLU 37 9.495 4.056 4.056 318 HA GLU 37 HA GLU 37 9.911 1.333 1.333 319 1HB GLU 37 1HB GLU 37 10.840 3.693 3.693 320 2HB GLU 37 2HB GLU 37 9.201 3.932 3.932 321 1HG GLU 37 1HG GLU 37 9.326 2.031 2.031 322 2HG GLU 37 2HG GLU 37 10.760 1.380 1.380 323 H CYS 38 H CYS 38 8.072 1.094 1.094 324 HA CYS 38 HA CYS 38 5.409 1.650 1.650 325 1HB CYS 38 1HB CYS 38 6.443 -0.188 -0.188 326 2HB CYS 38 2HB CYS 38 6.428 -1.284 -1.284 327 H ARG 39 H ARG 39 4.466 2.188 2.188 328 HA ARG 39 HA ARG 39 4.548 0.318 0.318 329 1HB ARG 39 1HB ARG 39 3.670 3.213 3.213 330 2HB ARG 39 2HB ARG 39 2.806 2.331 2.331 331 1HG ARG 39 1HG ARG 39 5.475 3.605 3.605 332 2HG ARG 39 2HG ARG 39 4.488 2.976 2.976 333 1HD ARG 39 1HD ARG 39 6.260 1.162 1.162 334 2HD ARG 39 2HD ARG 39 6.841 1.940 1.940 335 HE ARG 39 HE ARG 39 4.262 0.446 0.446 336 1HH1 ARG 39 1HH1 ARG 39 7.713 0.238 0.238 337 2HH1 ARG 39 2HH1 ARG 39 7.600 -1.215 -1.215 338 1HH2 ARG 39 1HH2 ARG 39 4.219 -1.123 -1.123 339 2HH2 ARG 39 2HH2 ARG 39 5.703 -1.960 -1.960 340 H TYR 40 H TYR 40 2.801 -0.640 -0.640 341 HA TYR 40 HA TYR 40 0.229 -0.578 -0.578 342 1HB TYR 40 1HB TYR 40 2.035 -3.001 -3.001 343 2HB TYR 40 2HB TYR 40 0.317 -3.270 -3.270 344 HD1 TYR 40 HD1 TYR 40 3.157 -2.668 -2.668 345 HD2 TYR 40 HD2 TYR 40 -1.129 -3.006 -3.006 346 HE1 TYR 40 HE1 TYR 40 3.084 -3.129 -3.129 347 HE2 TYR 40 HE2 TYR 40 -1.130 -3.838 -3.838 348 HH TYR 40 HH TYR 40 0.092 -4.179 -4.179 349 H SER 41 H SER 41 -1.561 -1.655 -1.655 350 HA SER 41 HA SER 41 -1.787 -0.999 -0.999 351 1HB SER 41 1HB SER 41 -3.112 -3.284 -3.284 352 2HB SER 41 2HB SER 41 -3.528 -2.984 -2.984 353 HG SER 41 HG SER 41 -4.116 -0.818 -0.818 354 HA PRO 42 HA PRO 42 0.317 -3.410 -3.410 355 1HB PRO 42 1HB PRO 42 -1.647 -5.388 -5.388 356 2HB PRO 42 2HB PRO 42 -1.243 -3.744 -3.744 357 1HG PRO 42 1HG PRO 42 -3.394 -4.355 -4.355 358 2HG PRO 42 2HG PRO 42 -3.419 -3.359 -3.359 359 1HD PRO 42 1HD PRO 42 -3.236 -2.394 -2.394 360 2HD PRO 42 2HD PRO 42 -2.169 -1.690 -1.690 361 H LYS 43 H LYS 43 -1.834 -6.055 -6.055 362 HA LYS 43 HA LYS 43 0.546 -7.524 -7.524 363 1HB LYS 43 1HB LYS 43 0.267 -7.733 -7.733 364 2HB LYS 43 2HB LYS 43 -0.930 -8.944 -8.944 365 1HG LYS 43 1HG LYS 43 0.714 -10.392 -10.392 366 2HG LYS 43 2HG LYS 43 1.841 -9.072 -9.072 367 1HD LYS 43 1HD LYS 43 1.149 -9.877 -9.877 368 2HD LYS 43 2HD LYS 43 2.222 -10.918 -10.918 369 1HE LYS 43 1HE LYS 43 3.593 -8.750 -8.750 370 2HE LYS 43 2HE LYS 43 2.671 -7.920 -7.920 371 1HZ LYS 43 1HZ LYS 43 3.348 -9.870 -9.870 372 2HZ LYS 43 2HZ LYS 43 4.492 -10.230 -10.230 373 3HZ LYS 43 3HZ LYS 43 4.527 -8.740 -8.740 Start of MODEL 16 1 1H MET 1 1H MET 1 -15.929 -5.862 -5.862 2 2H MET 1 2H MET 1 -17.180 -5.325 -5.325 3 3H MET 1 3H MET 1 -16.661 -6.921 -6.921 4 HA MET 1 HA MET 1 -15.748 -5.986 -5.986 5 1HB MET 1 1HB MET 1 -14.637 -3.764 -3.764 6 2HB MET 1 2HB MET 1 -16.308 -3.637 -3.637 7 1HG MET 1 1HG MET 1 -13.955 -3.616 -3.616 8 2HG MET 1 2HG MET 1 -14.624 -2.166 -2.166 9 1HE MET 1 1HE MET 1 -14.287 -3.590 -3.590 10 2HE MET 1 2HE MET 1 -15.842 -3.725 -3.725 11 3HE MET 1 3HE MET 1 -15.315 -5.041 -5.041 12 H LYS 2 H LYS 2 -14.111 -5.377 -5.377 13 HA LYS 2 HA LYS 2 -11.910 -5.999 -5.999 14 1HB LYS 2 1HB LYS 2 -13.540 -8.161 -8.161 15 2HB LYS 2 2HB LYS 2 -12.462 -8.676 -8.676 16 1HG LYS 2 1HG LYS 2 -10.687 -9.128 -9.128 17 2HG LYS 2 2HG LYS 2 -11.041 -7.735 -7.735 18 1HD LYS 2 1HD LYS 2 -12.732 -10.317 -10.317 19 2HD LYS 2 2HD LYS 2 -11.315 -10.110 -10.110 20 1HE LYS 2 1HE LYS 2 -12.359 -7.967 -7.967 21 2HE LYS 2 2HE LYS 2 -13.816 -8.259 -8.259 22 1HZ LYS 2 1HZ LYS 2 -13.225 -10.661 -10.661 23 2HZ LYS 2 2HZ LYS 2 -13.062 -9.454 -9.454 24 3HZ LYS 2 3HZ LYS 2 -14.502 -9.610 -9.610 25 H LEU 3 H LEU 3 -11.985 -4.742 -4.742 26 HA LEU 3 HA LEU 3 -9.099 -5.393 -5.393 27 1HB LEU 3 1HB LEU 3 -9.315 -5.683 -5.683 28 2HB LEU 3 2HB LEU 3 -10.006 -7.012 -7.012 29 HG LEU 3 HG LEU 3 -12.327 -6.069 -6.069 30 1HD1 LEU 3 1HD1 LEU 3 -10.761 -4.080 -4.080 31 2HD1 LEU 3 2HD1 LEU 3 -12.514 -4.360 -4.360 32 3HD1 LEU 3 3HD1 LEU 3 -11.835 -3.697 -3.697 33 1HD2 LEU 3 1HD2 LEU 3 -10.669 -7.592 -7.592 34 2HD2 LEU 3 2HD2 LEU 3 -12.425 -7.442 -7.442 35 3HD2 LEU 3 3HD2 LEU 3 -11.378 -6.360 -6.360 36 H LEU 4 H LEU 4 -10.086 -3.288 -3.288 37 HA LEU 4 HA LEU 4 -9.810 -0.933 -0.933 38 1HB LEU 4 1HB LEU 4 -8.411 -1.131 -1.131 39 2HB LEU 4 2HB LEU 4 -9.886 -1.038 -1.038 40 HG LEU 4 HG LEU 4 -10.347 1.252 1.252 41 1HD1 LEU 4 1HD1 LEU 4 -7.398 0.899 0.899 42 2HD1 LEU 4 2HD1 LEU 4 -8.288 2.441 2.441 43 3HD1 LEU 4 3HD1 LEU 4 -8.812 1.106 1.106 44 1HD2 LEU 4 1HD2 LEU 4 -8.116 0.672 0.672 45 2HD2 LEU 4 2HD2 LEU 4 -9.669 1.517 1.517 46 3HD2 LEU 4 3HD2 LEU 4 -8.315 2.329 2.329 47 H SER 5 H SER 5 -11.720 -1.337 -1.337 48 HA SER 5 HA SER 5 -14.299 -1.166 -1.166 49 1HB SER 5 1HB SER 5 -13.150 1.163 1.163 50 2HB SER 5 2HB SER 5 -13.574 1.669 1.669 51 HG SER 5 HG SER 5 -15.741 0.505 0.505 52 H SER 6 H SER 6 -12.976 0.874 0.874 53 HA SER 6 HA SER 6 -13.781 -0.833 -0.833 54 1HB SER 6 1HB SER 6 -16.107 0.257 0.257 55 2HB SER 6 2HB SER 6 -16.038 1.054 1.054 56 HG SER 6 HG SER 6 -15.506 -1.609 -1.609 57 H ILE 7 H ILE 7 -12.407 -0.200 -0.200 58 HA ILE 7 HA ILE 7 -13.037 2.178 2.178 59 HB ILE 7 HB ILE 7 -12.082 3.563 3.563 60 1HG1 ILE 7 1HG1 ILE 7 -9.741 4.265 4.265 61 2HG1 ILE 7 2HG1 ILE 7 -10.450 3.233 3.233 62 1HG2 ILE 7 1HG2 ILE 7 -10.419 1.656 1.656 63 2HG2 ILE 7 2HG2 ILE 7 -9.234 2.419 2.419 64 3HG2 ILE 7 3HG2 ILE 7 -10.073 3.388 3.388 65 1HD1 ILE 7 1HD1 ILE 7 -12.671 4.679 4.679 66 2HD1 ILE 7 2HD1 ILE 7 -11.587 5.865 5.865 67 3HD1 ILE 7 3HD1 ILE 7 -11.292 5.329 5.329 68 H GLU 8 H GLU 8 -9.894 0.970 0.970 69 HA GLU 8 HA GLU 8 -9.800 -1.386 -1.386 70 1HB GLU 8 1HB GLU 8 -10.593 -0.489 -0.489 71 2HB GLU 8 2HB GLU 8 -9.660 0.979 0.979 72 1HG GLU 8 1HG GLU 8 -7.509 -0.424 -0.424 73 2HG GLU 8 2HG GLU 8 -8.511 -1.826 -1.826 74 H GLN 9 H GLN 9 -8.133 -2.114 -2.114 75 HA GLN 9 HA GLN 9 -5.998 -0.521 -0.521 76 1HB GLN 9 1HB GLN 9 -5.379 -2.549 -2.549 77 2HB GLN 9 2HB GLN 9 -6.724 -3.243 -3.243 78 1HG GLN 9 1HG GLN 9 -4.634 -3.167 -3.167 79 2HG GLN 9 2HG GLN 9 -3.762 -3.512 -3.512 80 1HE2 GLN 9 1HE2 GLN 9 -5.461 -6.808 -6.808 81 2HE2 GLN 9 2HE2 GLN 9 -5.020 -5.406 -5.406 82 H ALA 10 H ALA 10 -3.799 -0.409 -0.409 83 HA ALA 10 HA ALA 10 -2.616 -0.614 -0.614 84 1HB ALA 10 1HB ALA 10 -4.625 0.585 0.585 85 2HB ALA 10 2HB ALA 10 -4.342 1.965 1.965 86 3HB ALA 10 3HB ALA 10 -3.182 1.595 1.595 87 H CYS 11 H CYS 11 -0.681 0.621 0.621 88 HA CYS 11 HA CYS 11 0.364 1.044 1.044 89 1HB CYS 11 1HB CYS 11 2.573 1.146 1.146 90 2HB CYS 11 2HB CYS 11 1.628 -0.151 -0.151 91 H ASP 12 H ASP 12 1.984 2.756 2.756 92 HA ASP 12 HA ASP 12 0.444 5.257 5.257 93 1HB ASP 12 1HB ASP 12 2.353 4.316 4.316 94 2HB ASP 12 2HB ASP 12 3.466 5.111 5.111 95 H ILE 13 H ILE 13 3.201 4.151 4.151 96 HA ILE 13 HA ILE 13 3.811 6.720 6.720 97 HB ILE 13 HB ILE 13 4.337 3.804 3.804 98 1HG1 ILE 13 1HG1 ILE 13 6.030 4.652 4.652 99 2HG1 ILE 13 2HG1 ILE 13 6.773 4.677 4.677 100 1HG2 ILE 13 1HG2 ILE 13 3.806 4.861 4.861 101 2HG2 ILE 13 2HG2 ILE 13 5.070 6.078 6.078 102 3HG2 ILE 13 3HG2 ILE 13 5.522 4.400 4.400 103 1HD1 ILE 13 1HD1 ILE 13 6.020 7.188 7.188 104 2HD1 ILE 13 2HD1 ILE 13 5.840 7.108 7.108 105 3HD1 ILE 13 3HD1 ILE 13 7.423 6.799 6.799 106 H CYS 14 H CYS 14 1.335 4.440 4.440 107 HA CYS 14 HA CYS 14 0.712 5.726 5.726 108 1HB CYS 14 1HB CYS 14 -0.550 3.479 3.479 109 2HB CYS 14 2HB CYS 14 -1.490 4.209 4.209 110 H ARG 15 H ARG 15 -0.477 5.857 5.857 111 HA ARG 15 HA ARG 15 -2.566 7.746 7.746 112 1HB ARG 15 1HB ARG 15 -0.409 8.198 8.198 113 2HB ARG 15 2HB ARG 15 -2.143 8.417 8.417 114 1HG ARG 15 1HG ARG 15 -2.147 5.689 5.689 115 2HG ARG 15 2HG ARG 15 -0.490 5.835 5.835 116 1HD ARG 15 1HD ARG 15 -1.990 5.327 5.327 117 2HD ARG 15 2HD ARG 15 -1.352 6.978 6.978 118 HE ARG 15 HE ARG 15 -3.850 6.985 6.985 119 1HH1 ARG 15 1HH1 ARG 15 -2.689 6.812 6.812 120 2HH1 ARG 15 2HH1 ARG 15 -4.265 7.493 7.493 121 1HH2 ARG 15 1HH2 ARG 15 -5.523 7.716 7.716 122 2HH2 ARG 15 2HH2 ARG 15 -5.808 7.986 7.986 123 H LEU 16 H LEU 16 0.874 8.537 8.537 124 HA LEU 16 HA LEU 16 0.328 11.443 11.443 125 1HB LEU 16 1HB LEU 16 2.942 9.805 9.805 126 2HB LEU 16 2HB LEU 16 2.919 11.557 11.557 127 HG LEU 16 HG LEU 16 1.486 10.972 10.972 128 1HD1 LEU 16 1HD1 LEU 16 2.206 8.508 8.508 129 2HD1 LEU 16 2HD1 LEU 16 3.890 9.020 9.020 130 3HD1 LEU 16 3HD1 LEU 16 2.752 9.269 9.269 131 1HD2 LEU 16 1HD2 LEU 16 3.289 12.726 12.726 132 2HD2 LEU 16 2HD2 LEU 16 3.521 11.844 11.844 133 3HD2 LEU 16 3HD2 LEU 16 4.527 11.462 11.462 134 H LYS 17 H LYS 17 1.748 9.077 9.077 135 HA LYS 17 HA LYS 17 2.252 11.216 11.216 136 1HB LYS 17 1HB LYS 17 2.537 8.135 8.135 137 2HB LYS 17 2HB LYS 17 2.876 9.119 9.119 138 1HG LYS 17 1HG LYS 17 4.863 8.447 8.447 139 2HG LYS 17 2HG LYS 17 4.853 10.039 10.039 140 1HD LYS 17 1HD LYS 17 3.826 10.967 10.967 141 2HD LYS 17 2HD LYS 17 3.844 9.337 9.337 142 1HE LYS 17 1HE LYS 17 6.387 9.216 9.216 143 2HE LYS 17 2HE LYS 17 6.352 10.904 10.904 144 1HZ LYS 17 1HZ LYS 17 4.991 11.018 11.018 145 2HZ LYS 17 2HZ LYS 17 6.139 9.837 9.837 146 3HZ LYS 17 3HZ LYS 17 6.628 11.358 11.358 147 H LYS 18 H LYS 18 -0.336 9.240 9.240 148 HA LYS 18 HA LYS 18 -2.365 8.668 8.668 149 1HB LYS 18 1HB LYS 18 -1.689 11.295 11.295 150 2HB LYS 18 2HB LYS 18 -2.968 10.263 10.263 151 1HG LYS 18 1HG LYS 18 -3.973 10.274 10.274 152 2HG LYS 18 2HG LYS 18 -2.802 11.539 11.539 153 1HD LYS 18 1HD LYS 18 -3.942 13.106 13.106 154 2HD LYS 18 2HD LYS 18 -4.764 11.822 11.822 155 1HE LYS 18 1HE LYS 18 -6.268 13.012 13.012 156 2HE LYS 18 2HE LYS 18 -6.234 11.246 11.246 157 1HZ LYS 18 1HZ LYS 18 -4.113 12.560 12.560 158 2HZ LYS 18 2HZ LYS 18 -5.660 12.947 12.947 159 3HZ LYS 18 3HZ LYS 18 -5.168 11.340 11.340 160 H LEU 19 H LEU 19 -1.227 6.846 6.846 161 HA LEU 19 HA LEU 19 -0.772 6.437 6.437 162 1HB LEU 19 1HB LEU 19 0.853 5.437 5.437 163 2HB LEU 19 2HB LEU 19 0.770 4.433 4.433 164 HG LEU 19 HG LEU 19 2.336 5.642 5.642 165 1HD1 LEU 19 1HD1 LEU 19 0.763 7.554 7.554 166 2HD1 LEU 19 2HD1 LEU 19 1.154 8.269 8.269 167 3HD1 LEU 19 3HD1 LEU 19 2.406 8.156 8.156 168 1HD2 LEU 19 1HD2 LEU 19 2.718 6.841 6.841 169 2HD2 LEU 19 2HD2 LEU 19 3.530 5.420 5.420 170 3HD2 LEU 19 3HD2 LEU 19 3.905 7.040 7.040 171 H LYS 20 H LYS 20 -1.048 4.274 4.274 172 HA LYS 20 HA LYS 20 -3.377 2.966 2.966 173 1HB LYS 20 1HB LYS 20 -1.923 2.113 2.113 174 2HB LYS 20 2HB LYS 20 -3.432 1.432 1.432 175 1HG LYS 20 1HG LYS 20 -3.939 4.265 4.265 176 2HG LYS 20 2HG LYS 20 -2.943 3.967 3.967 177 1HD LYS 20 1HD LYS 20 -5.665 3.778 3.778 178 2HD LYS 20 2HD LYS 20 -4.673 2.831 2.831 179 1HE LYS 20 1HE LYS 20 -5.320 1.753 1.753 180 2HE LYS 20 2HE LYS 20 -6.436 1.488 1.488 181 1HZ LYS 20 1HZ LYS 20 -3.962 0.884 0.884 182 2HZ LYS 20 2HZ LYS 20 -3.931 0.236 0.236 183 3HZ LYS 20 3HZ LYS 20 -5.150 -0.206 -0.206 184 H CYS 21 H CYS 21 -3.413 1.129 1.129 185 HA CYS 21 HA CYS 21 -0.623 0.017 0.017 186 1HB CYS 21 1HB CYS 21 -1.929 1.560 1.560 187 2HB CYS 21 2HB CYS 21 -2.979 0.160 0.160 188 H SER 22 H SER 22 -1.152 -1.449 -1.449 189 HA SER 22 HA SER 22 -2.870 -3.664 -3.664 190 1HB SER 22 1HB SER 22 -0.823 -5.151 -5.151 191 2HB SER 22 2HB SER 22 -1.144 -3.787 -3.787 192 HG SER 22 HG SER 22 0.533 -3.226 -3.226 193 H LYS 23 H LYS 23 -0.340 -3.042 -3.042 194 HA LYS 23 HA LYS 23 -0.654 -3.487 -3.487 195 1HB LYS 23 1HB LYS 23 -2.844 -5.461 -5.461 196 2HB LYS 23 2HB LYS 23 -2.399 -5.286 -5.286 197 1HG LYS 23 1HG LYS 23 -2.836 -2.588 -2.588 198 2HG LYS 23 2HG LYS 23 -3.993 -3.437 -3.437 199 1HD LYS 23 1HD LYS 23 -4.302 -4.553 -4.553 200 2HD LYS 23 2HD LYS 23 -4.034 -2.815 -2.815 201 1HE LYS 23 1HE LYS 23 -6.522 -3.511 -3.511 202 2HE LYS 23 2HE LYS 23 -5.916 -2.170 -2.170 203 1HZ LYS 23 1HZ LYS 23 -5.872 -5.013 -5.013 204 2HZ LYS 23 2HZ LYS 23 -7.054 -3.892 -3.892 205 3HZ LYS 23 3HZ LYS 23 -5.465 -3.667 -3.667 206 H GLU 24 H GLU 24 0.567 -5.422 -5.422 207 HA GLU 24 HA GLU 24 1.448 -7.744 -7.744 208 1HB GLU 24 1HB GLU 24 3.846 -7.174 -7.174 209 2HB GLU 24 2HB GLU 24 2.514 -7.565 -7.565 210 1HG GLU 24 1HG GLU 24 2.201 -5.149 -5.149 211 2HG GLU 24 2HG GLU 24 3.381 -4.646 -4.646 212 H LYS 25 H LYS 25 3.388 -8.280 -8.280 213 HA LYS 25 HA LYS 25 3.928 -6.267 -6.267 214 1HB LYS 25 1HB LYS 25 2.774 -9.116 -9.116 215 2HB LYS 25 2HB LYS 25 3.329 -8.090 -8.090 216 1HG LYS 25 1HG LYS 25 1.372 -6.808 -6.808 217 2HG LYS 25 2HG LYS 25 1.359 -6.686 -6.686 218 1HD LYS 25 1HD LYS 25 -0.227 -8.346 -8.346 219 2HD LYS 25 2HD LYS 25 0.692 -9.434 -9.434 220 1HE LYS 25 1HE LYS 25 -0.302 -8.612 -8.612 221 2HE LYS 25 2HE LYS 25 -0.608 -7.000 -7.000 222 1HZ LYS 25 1HZ LYS 25 -2.226 -8.149 -8.149 223 2HZ LYS 25 2HZ LYS 25 -2.097 -9.499 -9.499 224 3HZ LYS 25 3HZ LYS 25 -2.669 -8.046 -8.046 225 HA PRO 26 HA PRO 26 4.900 -6.334 -6.334 226 1HB PRO 26 1HB PRO 26 7.241 -4.985 -4.985 227 2HB PRO 26 2HB PRO 26 6.891 -6.705 -6.705 228 1HG PRO 26 1HG PRO 26 8.305 -6.074 -6.074 229 2HG PRO 26 2HG PRO 26 8.965 -6.876 -6.876 230 1HD PRO 26 1HD PRO 26 7.939 -8.179 -8.179 231 2HD PRO 26 2HD PRO 26 7.395 -8.698 -8.698 232 H LYS 27 H LYS 27 7.202 -5.335 -5.335 233 HA LYS 27 HA LYS 27 5.754 -2.645 -2.645 234 1HB LYS 27 1HB LYS 27 8.353 -3.336 -3.336 235 2HB LYS 27 2HB LYS 27 7.764 -1.750 -1.750 236 1HG LYS 27 1HG LYS 27 8.792 -1.904 -1.904 237 2HG LYS 27 2HG LYS 27 8.019 -3.453 -3.453 238 1HD LYS 27 1HD LYS 27 9.941 -4.636 -4.636 239 2HD LYS 27 2HD LYS 27 10.366 -3.495 -3.495 240 1HE LYS 27 1HE LYS 27 11.764 -2.308 -2.308 241 2HE LYS 27 2HE LYS 27 10.452 -2.034 -2.034 242 1HZ LYS 27 1HZ LYS 27 11.611 -4.725 -4.725 243 2HZ LYS 27 2HZ LYS 27 12.540 -3.493 -3.493 244 3HZ LYS 27 3HZ LYS 27 11.019 -3.835 -3.835 245 H CYS 28 H CYS 28 4.527 -2.028 -2.028 246 HA CYS 28 HA CYS 28 3.623 -3.830 -3.830 247 1HB CYS 28 1HB CYS 28 2.937 -1.551 -1.551 248 2HB CYS 28 2HB CYS 28 2.150 -2.023 -2.023 249 H ALA 29 H ALA 29 3.719 -2.863 -2.863 250 HA ALA 29 HA ALA 29 6.438 -3.248 -3.248 251 1HB ALA 29 1HB ALA 29 4.299 -3.487 -3.487 252 2HB ALA 29 2HB ALA 29 3.993 -1.740 -1.740 253 3HB ALA 29 3HB ALA 29 5.397 -2.328 -2.328 254 H LYS 30 H LYS 30 4.511 -0.413 -0.413 255 HA LYS 30 HA LYS 30 6.264 1.642 1.642 256 1HB LYS 30 1HB LYS 30 3.864 1.529 1.529 257 2HB LYS 30 2HB LYS 30 4.918 2.017 2.017 258 1HG LYS 30 1HG LYS 30 3.730 3.702 3.702 259 2HG LYS 30 2HG LYS 30 4.775 4.195 4.195 260 1HD LYS 30 1HD LYS 30 6.056 4.998 4.998 261 2HD LYS 30 2HD LYS 30 6.682 3.339 3.339 262 1HE LYS 30 1HE LYS 30 4.114 3.428 3.428 263 2HE LYS 30 2HE LYS 30 5.150 4.726 4.726 264 1HZ LYS 30 1HZ LYS 30 6.881 2.642 2.642 265 2HZ LYS 30 2HZ LYS 30 5.476 1.886 1.886 266 3HZ LYS 30 3HZ LYS 30 6.152 3.135 3.135 267 H CYS 31 H CYS 31 6.085 0.777 0.777 268 HA CYS 31 HA CYS 31 8.383 2.404 2.404 269 1HB CYS 31 1HB CYS 31 7.419 -0.119 -0.119 270 2HB CYS 31 2HB CYS 31 8.350 1.204 1.204 271 H LEU 32 H LEU 32 8.172 -0.904 -0.904 272 HA LEU 32 HA LEU 32 11.020 -1.512 -1.512 273 1HB LEU 32 1HB LEU 32 9.072 -3.188 -3.188 274 2HB LEU 32 2HB LEU 32 9.292 -2.665 -2.665 275 HG LEU 32 HG LEU 32 11.239 -4.273 -4.273 276 1HD1 LEU 32 1HD1 LEU 32 9.362 -5.485 -5.485 277 2HD1 LEU 32 2HD1 LEU 32 10.079 -4.915 -4.915 278 3HD1 LEU 32 3HD1 LEU 32 11.003 -6.013 -6.013 279 1HD2 LEU 32 1HD2 LEU 32 12.523 -2.486 -2.486 280 2HD2 LEU 32 2HD2 LEU 32 12.923 -4.131 -4.131 281 3HD2 LEU 32 3HD2 LEU 32 11.840 -3.099 -3.099 282 H LYS 33 H LYS 33 9.357 0.055 0.055 283 HA LYS 33 HA LYS 33 11.724 0.029 0.029 284 1HB LYS 33 1HB LYS 33 9.131 1.735 1.735 285 2HB LYS 33 2HB LYS 33 10.366 1.984 1.984 286 1HG LYS 33 1HG LYS 33 8.971 -0.753 -0.753 287 2HG LYS 33 2HG LYS 33 8.368 0.465 0.465 288 1HD LYS 33 1HD LYS 33 11.050 0.184 0.184 289 2HD LYS 33 2HD LYS 33 10.686 -1.444 -1.444 290 1HE LYS 33 1HE LYS 33 8.522 -1.453 -1.453 291 2HE LYS 33 2HE LYS 33 9.002 0.099 0.099 292 1HZ LYS 33 1HZ LYS 33 10.930 -2.135 -2.135 293 2HZ LYS 33 2HZ LYS 33 9.681 -2.095 -2.095 294 3HZ LYS 33 3HZ LYS 33 10.789 -0.829 -0.829 295 H ASN 34 H ASN 34 10.546 1.970 1.970 296 HA ASN 34 HA ASN 34 12.556 4.175 4.175 297 1HB ASN 34 1HB ASN 34 9.967 4.205 4.205 298 2HB ASN 34 2HB ASN 34 10.932 5.621 5.621 299 1HD2 ASN 34 1HD2 ASN 34 9.011 6.149 6.149 300 2HD2 ASN 34 2HD2 ASN 34 9.940 6.863 6.863 301 H ASN 35 H ASN 35 12.523 1.538 1.538 302 HA ASN 35 HA ASN 35 13.164 1.016 1.016 303 1HB ASN 35 1HB ASN 35 15.398 1.523 1.523 304 2HB ASN 35 2HB ASN 35 15.086 3.242 3.242 305 1HD2 ASN 35 1HD2 ASN 35 15.596 2.373 2.373 306 2HD2 ASN 35 2HD2 ASN 35 14.212 1.561 1.561 307 H TRP 36 H TRP 36 11.175 1.611 1.611 308 HA TRP 36 HA TRP 36 11.220 4.212 4.212 309 1HB TRP 36 1HB TRP 36 9.053 2.891 2.891 310 2HB TRP 36 2HB TRP 36 8.543 3.963 3.963 311 HD1 TRP 36 HD1 TRP 36 11.479 5.799 5.799 312 HE1 TRP 36 HE1 TRP 36 11.113 7.728 7.728 313 HE3 TRP 36 HE3 TRP 36 7.213 3.887 3.887 314 HZ2 TRP 36 HZ2 TRP 36 9.064 8.207 8.207 315 HZ3 TRP 36 HZ3 TRP 36 6.103 5.091 5.091 316 HH2 TRP 36 HH2 TRP 36 7.027 7.200 7.200 317 H GLU 37 H GLU 37 9.277 4.149 4.149 318 HA GLU 37 HA GLU 37 9.629 1.523 1.523 319 1HB GLU 37 1HB GLU 37 10.361 3.903 3.903 320 2HB GLU 37 2HB GLU 37 8.659 4.244 4.244 321 1HG GLU 37 1HG GLU 37 8.436 2.821 2.821 322 2HG GLU 37 2HG GLU 37 9.651 1.690 1.690 323 H CYS 38 H CYS 38 7.981 0.999 0.999 324 HA CYS 38 HA CYS 38 5.216 1.479 1.479 325 1HB CYS 38 1HB CYS 38 6.421 -0.233 -0.233 326 2HB CYS 38 2HB CYS 38 6.389 -1.393 -1.393 327 H ARG 39 H ARG 39 4.495 2.057 2.057 328 HA ARG 39 HA ARG 39 4.506 -0.068 -0.068 329 1HB ARG 39 1HB ARG 39 4.760 2.872 2.872 330 2HB ARG 39 2HB ARG 39 3.345 2.463 2.463 331 1HG ARG 39 1HG ARG 39 4.733 1.956 1.956 332 2HG ARG 39 2HG ARG 39 5.452 0.644 0.644 333 1HD ARG 39 1HD ARG 39 7.397 1.869 1.869 334 2HD ARG 39 2HD ARG 39 6.766 2.839 2.839 335 HE ARG 39 HE ARG 39 6.443 4.622 4.622 336 1HH1 ARG 39 1HH1 ARG 39 6.368 1.707 1.707 337 2HH1 ARG 39 2HH1 ARG 39 6.187 2.641 2.641 338 1HH2 ARG 39 1HH2 ARG 39 6.240 5.562 5.562 339 2HH2 ARG 39 2HH2 ARG 39 6.116 4.736 4.736 340 H TYR 40 H TYR 40 2.994 -1.420 -1.420 341 HA TYR 40 HA TYR 40 0.141 -0.328 -0.328 342 1HB TYR 40 1HB TYR 40 0.845 -3.334 -3.334 343 2HB TYR 40 2HB TYR 40 -0.667 -2.585 -2.585 344 HD1 TYR 40 HD1 TYR 40 -0.741 -1.062 -1.062 345 HD2 TYR 40 HD2 TYR 40 2.344 -3.930 -3.930 346 HE1 TYR 40 HE1 TYR 40 -0.315 -1.368 -1.368 347 HE2 TYR 40 HE2 TYR 40 2.560 -4.416 -4.416 348 HH TYR 40 HH TYR 40 1.903 -2.110 -2.110 349 H SER 41 H SER 41 2.486 -2.286 -2.286 350 HA SER 41 HA SER 41 2.659 -2.592 -2.592 351 1HB SER 41 1HB SER 41 0.104 -0.922 -0.922 352 2HB SER 41 2HB SER 41 0.485 -1.816 -1.816 353 HG SER 41 HG SER 41 2.629 -0.762 -0.762 354 HA PRO 42 HA PRO 42 0.872 -6.548 -6.548 355 1HB PRO 42 1HB PRO 42 1.257 -7.037 -7.037 356 2HB PRO 42 2HB PRO 42 2.712 -6.772 -6.772 357 1HG PRO 42 1HG PRO 42 1.266 -4.610 -4.610 358 2HG PRO 42 2HG PRO 42 3.048 -5.234 -5.234 359 1HD PRO 42 1HD PRO 42 2.013 -3.049 -3.049 360 2HD PRO 42 2HD PRO 42 3.303 -4.132 -4.132 361 H LYS 43 H LYS 43 -0.293 -4.087 -4.087 362 HA LYS 43 HA LYS 43 -2.665 -5.901 -5.901 363 1HB LYS 43 1HB LYS 43 -2.801 -4.832 -4.832 364 2HB LYS 43 2HB LYS 43 -1.077 -4.648 -4.648 365 1HG LYS 43 1HG LYS 43 -1.925 -2.317 -2.317 366 2HG LYS 43 2HG LYS 43 -3.297 -2.549 -2.549 367 1HD LYS 43 1HD LYS 43 -0.353 -2.003 -2.003 368 2HD LYS 43 2HD LYS 43 -1.792 -1.145 -1.145 369 1HE LYS 43 1HE LYS 43 -1.020 -4.045 -4.045 370 2HE LYS 43 2HE LYS 43 -0.796 -2.620 -2.620 371 1HZ LYS 43 1HZ LYS 43 -3.466 -3.116 -3.116 372 2HZ LYS 43 2HZ LYS 43 -2.946 -4.035 -4.035 373 3HZ LYS 43 3HZ LYS 43 -3.032 -2.360 -2.360 Start of MODEL 17 1 1H MET 1 1H MET 1 -12.283 -7.841 -7.841 2 2H MET 1 2H MET 1 -11.581 -8.672 -8.672 3 3H MET 1 3H MET 1 -10.609 -7.958 -7.958 4 HA MET 1 HA MET 1 -10.409 -6.257 -6.257 5 1HB MET 1 1HB MET 1 -12.824 -7.565 -7.565 6 2HB MET 1 2HB MET 1 -12.266 -5.973 -5.973 7 1HG MET 1 1HG MET 1 -10.170 -6.799 -6.799 8 2HG MET 1 2HG MET 1 -10.272 -8.296 -8.296 9 1HE MET 1 1HE MET 1 -10.871 -6.359 -6.359 10 2HE MET 1 2HE MET 1 -11.928 -7.295 -7.295 11 3HE MET 1 3HE MET 1 -12.650 -6.303 -6.303 12 H LYS 2 H LYS 2 -13.940 -6.619 -6.619 13 HA LYS 2 HA LYS 2 -14.126 -3.866 -3.866 14 1HB LYS 2 1HB LYS 2 -16.395 -3.960 -3.960 15 2HB LYS 2 2HB LYS 2 -15.810 -5.162 -5.162 16 1HG LYS 2 1HG LYS 2 -16.540 -7.030 -7.030 17 2HG LYS 2 2HG LYS 2 -16.816 -5.948 -5.948 18 1HD LYS 2 1HD LYS 2 -18.929 -6.702 -6.702 19 2HD LYS 2 2HD LYS 2 -18.763 -4.939 -4.939 20 1HE LYS 2 1HE LYS 2 -19.437 -5.767 -5.767 21 2HE LYS 2 2HE LYS 2 -17.759 -5.213 -5.213 22 1HZ LYS 2 1HZ LYS 2 -17.018 -7.501 -7.501 23 2HZ LYS 2 2HZ LYS 2 -18.612 -8.031 -8.031 24 3HZ LYS 2 3HZ LYS 2 -18.018 -7.378 -7.378 25 H LEU 3 H LEU 3 -14.106 -7.186 -7.186 26 HA LEU 3 HA LEU 3 -15.203 -6.367 -6.367 27 1HB LEU 3 1HB LEU 3 -15.941 -8.509 -8.509 28 2HB LEU 3 2HB LEU 3 -14.393 -9.199 -9.199 29 HG LEU 3 HG LEU 3 -15.011 -8.989 -8.989 30 1HD1 LEU 3 1HD1 LEU 3 -17.514 -7.728 -7.728 31 2HD1 LEU 3 2HD1 LEU 3 -17.687 -8.692 -8.692 32 3HD1 LEU 3 3HD1 LEU 3 -16.609 -7.275 -7.275 33 1HD2 LEU 3 1HD2 LEU 3 -15.553 -11.100 -11.100 34 2HD2 LEU 3 2HD2 LEU 3 -16.404 -10.972 -10.972 35 3HD2 LEU 3 3HD2 LEU 3 -17.229 -10.542 -10.542 36 H LEU 4 H LEU 4 -12.587 -5.523 -5.523 37 HA LEU 4 HA LEU 4 -11.297 -6.253 -6.253 38 1HB LEU 4 1HB LEU 4 -10.218 -7.810 -7.810 39 2HB LEU 4 2HB LEU 4 -9.843 -6.469 -6.469 40 HG LEU 4 HG LEU 4 -8.471 -5.592 -5.592 41 1HD1 LEU 4 1HD1 LEU 4 -9.307 -7.702 -7.702 42 2HD1 LEU 4 2HD1 LEU 4 -8.197 -8.650 -8.650 43 3HD1 LEU 4 3HD1 LEU 4 -7.557 -7.384 -7.384 44 1HD2 LEU 4 1HD2 LEU 4 -7.566 -6.185 -6.185 45 2HD2 LEU 4 2HD2 LEU 4 -6.420 -6.431 -6.431 46 3HD2 LEU 4 3HD2 LEU 4 -7.269 -7.815 -7.815 47 H SER 5 H SER 5 -12.531 -4.168 -4.168 48 HA SER 5 HA SER 5 -10.819 -1.854 -1.854 49 1HB SER 5 1HB SER 5 -12.812 -0.776 -0.776 50 2HB SER 5 2HB SER 5 -13.565 -2.153 -2.153 51 HG SER 5 HG SER 5 -12.530 0.175 0.175 52 H SER 6 H SER 6 -10.037 -0.268 -0.268 53 HA SER 6 HA SER 6 -8.273 -1.415 -1.415 54 1HB SER 6 1HB SER 6 -9.404 1.458 1.458 55 2HB SER 6 2HB SER 6 -7.981 0.952 0.952 56 HG SER 6 HG SER 6 -7.791 1.953 1.953 57 H ILE 7 H ILE 7 -8.251 -0.928 -0.928 58 HA ILE 7 HA ILE 7 -10.965 -0.563 -0.563 59 HB ILE 7 HB ILE 7 -10.447 -3.133 -3.133 60 1HG1 ILE 7 1HG1 ILE 7 -11.583 -3.738 -3.738 61 2HG1 ILE 7 2HG1 ILE 7 -11.578 -2.020 -2.020 62 1HG2 ILE 7 1HG2 ILE 7 -8.160 -2.770 -2.770 63 2HG2 ILE 7 2HG2 ILE 7 -9.324 -3.405 -3.405 64 3HG2 ILE 7 3HG2 ILE 7 -8.959 -4.343 -4.343 65 1HD1 ILE 7 1HD1 ILE 7 -12.881 -2.951 -2.951 66 2HD1 ILE 7 2HD1 ILE 7 -13.773 -2.984 -2.984 67 3HD1 ILE 7 3HD1 ILE 7 -13.138 -1.451 -1.451 68 H GLU 8 H GLU 8 -9.782 -1.539 -1.539 69 HA GLU 8 HA GLU 8 -8.774 1.241 1.241 70 1HB GLU 8 1HB GLU 8 -8.818 0.434 0.434 71 2HB GLU 8 2HB GLU 8 -10.354 0.471 0.471 72 1HG GLU 8 1HG GLU 8 -8.914 -2.213 -2.213 73 2HG GLU 8 2HG GLU 8 -9.404 -1.688 -1.688 74 H GLN 9 H GLN 9 -7.456 -2.000 -2.000 75 HA GLN 9 HA GLN 9 -4.754 -1.096 -1.096 76 1HB GLN 9 1HB GLN 9 -4.223 -3.308 -3.308 77 2HB GLN 9 2HB GLN 9 -5.953 -3.547 -3.547 78 1HG GLN 9 1HG GLN 9 -5.219 -2.805 -2.805 79 2HG GLN 9 2HG GLN 9 -3.702 -3.491 -3.491 80 1HE2 GLN 9 1HE2 GLN 9 -5.134 -6.854 -6.854 81 2HE2 GLN 9 2HE2 GLN 9 -3.889 -5.843 -5.843 82 H ALA 10 H ALA 10 -3.383 0.099 0.099 83 HA ALA 10 HA ALA 10 -2.835 -0.245 -0.245 84 1HB ALA 10 1HB ALA 10 -5.033 0.913 0.913 85 2HB ALA 10 2HB ALA 10 -4.494 2.302 2.302 86 3HB ALA 10 3HB ALA 10 -3.720 1.951 1.951 87 H CYS 11 H CYS 11 -0.788 0.691 0.691 88 HA CYS 11 HA CYS 11 0.582 1.274 1.274 89 1HB CYS 11 1HB CYS 11 2.649 1.285 1.285 90 2HB CYS 11 2HB CYS 11 1.614 -0.034 -0.034 91 H ASP 12 H ASP 12 2.077 2.908 2.908 92 HA ASP 12 HA ASP 12 0.643 5.453 5.453 93 1HB ASP 12 1HB ASP 12 2.269 4.928 4.928 94 2HB ASP 12 2HB ASP 12 3.552 4.640 4.640 95 H ILE 13 H ILE 13 3.004 4.139 4.139 96 HA ILE 13 HA ILE 13 3.731 6.722 6.722 97 HB ILE 13 HB ILE 13 4.154 3.776 3.776 98 1HG1 ILE 13 1HG1 ILE 13 6.012 4.540 4.540 99 2HG1 ILE 13 2HG1 ILE 13 6.594 4.693 4.693 100 1HG2 ILE 13 1HG2 ILE 13 3.452 4.765 4.765 101 2HG2 ILE 13 2HG2 ILE 13 4.807 5.909 5.909 102 3HG2 ILE 13 3HG2 ILE 13 5.140 4.201 4.201 103 1HD1 ILE 13 1HD1 ILE 13 5.845 7.202 7.202 104 2HD1 ILE 13 2HD1 ILE 13 5.706 6.994 6.994 105 3HD1 ILE 13 3HD1 ILE 13 7.277 6.744 6.744 106 H CYS 14 H CYS 14 1.206 4.447 4.447 107 HA CYS 14 HA CYS 14 0.642 5.590 5.590 108 1HB CYS 14 1HB CYS 14 -0.422 3.231 3.231 109 2HB CYS 14 2HB CYS 14 -1.501 3.907 3.907 110 H ARG 15 H ARG 15 -0.941 5.594 5.594 111 HA ARG 15 HA ARG 15 -2.994 7.474 7.474 112 1HB ARG 15 1HB ARG 15 -3.006 8.042 8.042 113 2HB ARG 15 2HB ARG 15 -3.417 6.415 6.415 114 1HG ARG 15 1HG ARG 15 -0.866 5.799 5.799 115 2HG ARG 15 2HG ARG 15 -0.738 7.389 7.389 116 1HD ARG 15 1HD ARG 15 -1.741 4.944 4.944 117 2HD ARG 15 2HD ARG 15 -1.637 6.551 6.551 118 HE ARG 15 HE ARG 15 -4.046 5.321 5.321 119 1HH1 ARG 15 1HH1 ARG 15 -2.678 8.235 8.235 120 2HH1 ARG 15 2HH1 ARG 15 -4.338 9.019 9.019 121 1HH2 ARG 15 1HH2 ARG 15 -5.805 6.233 6.233 122 2HH2 ARG 15 2HH2 ARG 15 -6.042 7.936 7.936 123 H LEU 16 H LEU 16 -0.091 8.238 8.238 124 HA LEU 16 HA LEU 16 -0.180 11.095 11.095 125 1HB LEU 16 1HB LEU 16 1.663 10.614 10.614 126 2HB LEU 16 2HB LEU 16 1.816 9.010 9.010 127 HG LEU 16 HG LEU 16 2.984 10.505 10.505 128 1HD1 LEU 16 1HD1 LEU 16 2.694 12.657 12.657 129 2HD1 LEU 16 2HD1 LEU 16 3.622 12.001 12.001 130 3HD1 LEU 16 3HD1 LEU 16 4.410 12.261 12.261 131 1HD2 LEU 16 1HD2 LEU 16 4.367 9.417 9.417 132 2HD2 LEU 16 2HD2 LEU 16 4.050 8.522 8.522 133 3HD2 LEU 16 3HD2 LEU 16 5.205 9.859 9.859 134 H LYS 17 H LYS 17 1.360 8.851 8.851 135 HA LYS 17 HA LYS 17 1.944 11.139 11.139 136 1HB LYS 17 1HB LYS 17 2.386 8.089 8.089 137 2HB LYS 17 2HB LYS 17 2.656 9.080 9.080 138 1HG LYS 17 1HG LYS 17 4.009 9.830 9.830 139 2HG LYS 17 2HG LYS 17 4.679 8.543 8.543 140 1HD LYS 17 1HD LYS 17 4.301 10.684 10.684 141 2HD LYS 17 2HD LYS 17 4.720 11.518 11.518 142 1HE LYS 17 1HE LYS 17 6.873 10.525 10.525 143 2HE LYS 17 2HE LYS 17 6.390 9.044 9.044 144 1HZ LYS 17 1HZ LYS 17 5.995 10.833 10.833 145 2HZ LYS 17 2HZ LYS 17 7.252 11.587 11.587 146 3HZ LYS 17 3HZ LYS 17 7.451 10.023 10.023 147 H LYS 18 H LYS 18 -0.681 9.157 9.157 148 HA LYS 18 HA LYS 18 -2.770 8.964 8.964 149 1HB LYS 18 1HB LYS 18 -1.593 11.524 11.524 150 2HB LYS 18 2HB LYS 18 -3.127 10.855 10.855 151 1HG LYS 18 1HG LYS 18 -3.600 10.890 10.890 152 2HG LYS 18 2HG LYS 18 -2.295 12.074 12.074 153 1HD LYS 18 1HD LYS 18 -4.033 13.049 13.049 154 2HD LYS 18 2HD LYS 18 -5.166 12.264 12.264 155 1HE LYS 18 1HE LYS 18 -3.151 13.680 13.680 156 2HE LYS 18 2HE LYS 18 -3.767 14.813 14.813 157 1HZ LYS 18 1HZ LYS 18 -6.040 13.647 13.647 158 2HZ LYS 18 2HZ LYS 18 -5.184 13.501 13.501 159 3HZ LYS 18 3HZ LYS 18 -5.416 15.017 15.017 160 H LEU 19 H LEU 19 -0.353 7.716 7.716 161 HA LEU 19 HA LEU 19 -1.069 7.136 7.136 162 1HB LEU 19 1HB LEU 19 1.021 5.352 5.352 163 2HB LEU 19 2HB LEU 19 1.179 6.808 6.808 164 HG LEU 19 HG LEU 19 1.422 7.670 7.670 165 1HD1 LEU 19 1HD1 LEU 19 1.805 5.120 5.120 166 2HD1 LEU 19 2HD1 LEU 19 3.285 5.286 5.286 167 3HD1 LEU 19 3HD1 LEU 19 3.122 6.192 6.192 168 1HD2 LEU 19 1HD2 LEU 19 2.651 8.620 8.620 169 2HD2 LEU 19 2HD2 LEU 19 3.689 8.335 8.335 170 3HD2 LEU 19 3HD2 LEU 19 3.728 7.196 7.196 171 H LYS 20 H LYS 20 -0.644 4.770 4.770 172 HA LYS 20 HA LYS 20 -3.020 3.475 3.475 173 1HB LYS 20 1HB LYS 20 -1.499 2.437 2.437 174 2HB LYS 20 2HB LYS 20 -3.137 2.027 2.027 175 1HG LYS 20 1HG LYS 20 -4.003 4.226 4.226 176 2HG LYS 20 2HG LYS 20 -2.398 4.955 4.955 177 1HD LYS 20 1HD LYS 20 -3.477 2.870 2.870 178 2HD LYS 20 2HD LYS 20 -3.385 4.621 4.621 179 1HE LYS 20 1HE LYS 20 -0.777 3.435 3.435 180 2HE LYS 20 2HE LYS 20 -1.301 2.796 2.796 181 1HZ LYS 20 1HZ LYS 20 -1.630 5.085 5.085 182 2HZ LYS 20 2HZ LYS 20 -1.073 5.679 5.679 183 3HZ LYS 20 3HZ LYS 20 -0.042 4.802 4.802 184 H CYS 21 H CYS 21 -3.095 1.385 1.385 185 HA CYS 21 HA CYS 21 -0.327 0.395 0.395 186 1HB CYS 21 1HB CYS 21 -1.749 1.780 1.780 187 2HB CYS 21 2HB CYS 21 -2.873 0.414 0.414 188 H SER 22 H SER 22 -0.321 -1.155 -1.155 189 HA SER 22 HA SER 22 -2.036 -3.402 -3.402 190 1HB SER 22 1HB SER 22 0.143 -4.808 -4.808 191 2HB SER 22 2HB SER 22 -0.065 -3.446 -3.446 192 HG SER 22 HG SER 22 1.183 -2.487 -2.487 193 H LYS 23 H LYS 23 -0.656 -2.464 -2.464 194 HA LYS 23 HA LYS 23 -0.508 -3.498 -3.498 195 1HB LYS 23 1HB LYS 23 -2.592 -5.453 -5.453 196 2HB LYS 23 2HB LYS 23 -2.358 -5.182 -5.182 197 1HG LYS 23 1HG LYS 23 -2.970 -2.751 -2.751 198 2HG LYS 23 2HG LYS 23 -4.284 -3.875 -3.875 199 1HD LYS 23 1HD LYS 23 -2.747 -3.074 -3.074 200 2HD LYS 23 2HD LYS 23 -3.399 -1.679 -1.679 201 1HE LYS 23 1HE LYS 23 -4.949 -4.041 -4.041 202 2HE LYS 23 2HE LYS 23 -5.259 -2.310 -2.310 203 1HZ LYS 23 1HZ LYS 23 -5.506 -2.535 -2.535 204 2HZ LYS 23 2HZ LYS 23 -6.016 -4.070 -4.070 205 3HZ LYS 23 3HZ LYS 23 -6.786 -2.708 -2.708 206 H GLU 24 H GLU 24 0.534 -5.528 -5.528 207 HA GLU 24 HA GLU 24 1.386 -7.826 -7.826 208 1HB GLU 24 1HB GLU 24 3.735 -7.522 -7.522 209 2HB GLU 24 2HB GLU 24 2.329 -7.712 -7.712 210 1HG GLU 24 1HG GLU 24 2.415 -5.403 -5.403 211 2HG GLU 24 2HG GLU 24 3.452 -4.895 -4.895 212 H LYS 25 H LYS 25 3.479 -8.384 -8.384 213 HA LYS 25 HA LYS 25 4.066 -6.403 -6.403 214 1HB LYS 25 1HB LYS 25 3.031 -9.302 -9.302 215 2HB LYS 25 2HB LYS 25 3.641 -8.302 -8.302 216 1HG LYS 25 1HG LYS 25 1.733 -6.806 -6.806 217 2HG LYS 25 2HG LYS 25 1.348 -7.234 -7.234 218 1HD LYS 25 1HD LYS 25 -0.251 -8.090 -8.090 219 2HD LYS 25 2HD LYS 25 0.361 -9.351 -9.351 220 1HE LYS 25 1HE LYS 25 2.172 -8.875 -8.875 221 2HE LYS 25 2HE LYS 25 0.560 -9.431 -9.431 222 1HZ LYS 25 1HZ LYS 25 2.097 -10.752 -10.752 223 2HZ LYS 25 2HZ LYS 25 2.214 -11.206 -11.206 224 3HZ LYS 25 3HZ LYS 25 0.741 -11.327 -11.327 225 HA PRO 26 HA PRO 26 5.089 -6.555 -6.555 226 1HB PRO 26 1HB PRO 26 7.390 -5.147 -5.147 227 2HB PRO 26 2HB PRO 26 7.123 -6.917 -6.917 228 1HG PRO 26 1HG PRO 26 8.442 -6.071 -6.071 229 2HG PRO 26 2HG PRO 26 9.174 -6.938 -6.938 230 1HD PRO 26 1HD PRO 26 8.142 -8.145 -8.145 231 2HD PRO 26 2HD PRO 26 7.673 -8.795 -8.795 232 H LYS 27 H LYS 27 7.281 -5.335 -5.335 233 HA LYS 27 HA LYS 27 5.691 -2.718 -2.718 234 1HB LYS 27 1HB LYS 27 7.731 -2.239 -2.239 235 2HB LYS 27 2HB LYS 27 7.868 -1.917 -1.917 236 1HG LYS 27 1HG LYS 27 8.544 -4.765 -4.765 237 2HG LYS 27 2HG LYS 27 9.488 -3.692 -3.692 238 1HD LYS 27 1HD LYS 27 9.272 -3.225 -3.225 239 2HD LYS 27 2HD LYS 27 10.371 -4.459 -4.459 240 1HE LYS 27 1HE LYS 27 11.914 -2.776 -2.776 241 2HE LYS 27 2HE LYS 27 10.886 -2.222 -2.222 242 1HZ LYS 27 1HZ LYS 27 10.148 -1.429 -1.429 243 2HZ LYS 27 2HZ LYS 27 11.449 -0.659 -0.659 244 3HZ LYS 27 3HZ LYS 27 9.926 -0.616 -0.616 245 H CYS 28 H CYS 28 4.415 -2.158 -2.158 246 HA CYS 28 HA CYS 28 3.619 -4.020 -4.020 247 1HB CYS 28 1HB CYS 28 3.022 -1.785 -1.785 248 2HB CYS 28 2HB CYS 28 2.143 -2.195 -2.195 249 H ALA 29 H ALA 29 3.819 -3.370 -3.370 250 HA ALA 29 HA ALA 29 6.515 -3.869 -3.869 251 1HB ALA 29 1HB ALA 29 4.390 -4.026 -4.026 252 2HB ALA 29 2HB ALA 29 4.207 -2.257 -2.257 253 3HB ALA 29 3HB ALA 29 5.585 -2.984 -2.984 254 H LYS 30 H LYS 30 4.753 -0.889 -0.889 255 HA LYS 30 HA LYS 30 6.805 0.783 0.783 256 1HB LYS 30 1HB LYS 30 4.268 1.300 1.300 257 2HB LYS 30 2HB LYS 30 4.777 1.802 1.802 258 1HG LYS 30 1HG LYS 30 5.757 3.776 3.776 259 2HG LYS 30 2HG LYS 30 6.512 2.958 2.958 260 1HD LYS 30 1HD LYS 30 4.733 4.852 4.852 261 2HD LYS 30 2HD LYS 30 4.629 3.392 3.392 262 1HE LYS 30 1HE LYS 30 3.128 3.268 3.268 263 2HE LYS 30 2HE LYS 30 2.455 4.375 4.375 264 1HZ LYS 30 1HZ LYS 30 3.125 2.130 2.130 265 2HZ LYS 30 2HZ LYS 30 2.479 1.526 1.526 266 3HZ LYS 30 3HZ LYS 30 1.584 2.592 2.592 267 H CYS 31 H CYS 31 6.119 0.391 0.391 268 HA CYS 31 HA CYS 31 8.279 2.211 2.211 269 1HB CYS 31 1HB CYS 31 7.286 -0.240 -0.240 270 2HB CYS 31 2HB CYS 31 8.225 1.098 1.098 271 H LEU 32 H LEU 32 8.238 -1.158 -1.158 272 HA LEU 32 HA LEU 32 11.090 -1.583 -1.583 273 1HB LEU 32 1HB LEU 32 9.483 -3.506 -3.506 274 2HB LEU 32 2HB LEU 32 9.226 -3.021 -3.021 275 HG LEU 32 HG LEU 32 10.652 -5.089 -5.089 276 1HD1 LEU 32 1HD1 LEU 32 10.681 -3.787 -3.787 277 2HD1 LEU 32 2HD1 LEU 32 11.996 -2.756 -2.756 278 3HD1 LEU 32 3HD1 LEU 32 12.273 -4.492 -4.492 279 1HD2 LEU 32 1HD2 LEU 32 12.775 -3.071 -3.071 280 2HD2 LEU 32 2HD2 LEU 32 12.058 -4.422 -4.422 281 3HD2 LEU 32 3HD2 LEU 32 13.111 -4.761 -4.761 282 H LYS 33 H LYS 33 9.455 -0.300 -0.300 283 HA LYS 33 HA LYS 33 11.916 -0.405 -0.405 284 1HB LYS 33 1HB LYS 33 9.228 1.127 1.127 285 2HB LYS 33 2HB LYS 33 10.525 1.388 1.388 286 1HG LYS 33 1HG LYS 33 9.670 -1.517 -1.517 287 2HG LYS 33 2HG LYS 33 8.589 -0.492 -0.492 288 1HD LYS 33 1HD LYS 33 10.136 -0.363 -0.363 289 2HD LYS 33 2HD LYS 33 11.548 -0.593 -0.593 290 1HE LYS 33 1HE LYS 33 10.946 -2.671 -2.671 291 2HE LYS 33 2HE LYS 33 11.087 -2.995 -2.995 292 1HZ LYS 33 1HZ LYS 33 8.454 -2.155 -2.155 293 2HZ LYS 33 2HZ LYS 33 8.977 -3.697 -3.697 294 3HZ LYS 33 3HZ LYS 33 8.867 -3.260 -3.260 295 H ASN 34 H ASN 34 10.621 1.661 1.661 296 HA ASN 34 HA ASN 34 12.498 3.938 3.938 297 1HB ASN 34 1HB ASN 34 9.920 3.931 3.931 298 2HB ASN 34 2HB ASN 34 10.827 5.369 5.369 299 1HD2 ASN 34 1HD2 ASN 34 9.469 5.147 5.147 300 2HD2 ASN 34 2HD2 ASN 34 11.176 5.089 5.089 301 H ASN 35 H ASN 35 12.500 1.370 1.370 302 HA ASN 35 HA ASN 35 13.058 0.975 0.975 303 1HB ASN 35 1HB ASN 35 15.253 1.733 1.733 304 2HB ASN 35 2HB ASN 35 15.005 3.329 3.329 305 1HD2 ASN 35 1HD2 ASN 35 15.563 1.116 1.116 306 2HD2 ASN 35 2HD2 ASN 35 14.007 0.962 0.962 307 H TRP 36 H TRP 36 11.076 1.576 1.576 308 HA TRP 36 HA TRP 36 11.005 4.291 4.291 309 1HB TRP 36 1HB TRP 36 8.912 2.773 2.773 310 2HB TRP 36 2HB TRP 36 8.338 3.894 3.894 311 HD1 TRP 36 HD1 TRP 36 11.206 5.801 5.801 312 HE1 TRP 36 HE1 TRP 36 10.768 7.630 7.630 313 HE3 TRP 36 HE3 TRP 36 7.026 3.632 3.632 314 HZ2 TRP 36 HZ2 TRP 36 8.732 7.920 7.920 315 HZ3 TRP 36 HZ3 TRP 36 5.854 4.725 4.725 316 HH2 TRP 36 HH2 TRP 36 6.658 6.865 6.865 317 H GLU 37 H GLU 37 9.031 4.231 4.231 318 HA GLU 37 HA GLU 37 9.557 1.747 1.747 319 1HB GLU 37 1HB GLU 37 10.234 4.128 4.128 320 2HB GLU 37 2HB GLU 37 8.536 4.546 4.546 321 1HG GLU 37 1HG GLU 37 10.107 3.480 3.480 322 2HG GLU 37 2HG GLU 37 8.380 3.735 3.735 323 H CYS 38 H CYS 38 7.919 0.999 0.999 324 HA CYS 38 HA CYS 38 5.133 1.476 1.476 325 1HB CYS 38 1HB CYS 38 6.295 -0.202 -0.202 326 2HB CYS 38 2HB CYS 38 6.418 -1.347 -1.347 327 H ARG 39 H ARG 39 4.524 2.083 2.083 328 HA ARG 39 HA ARG 39 4.355 -0.145 -0.145 329 1HB ARG 39 1HB ARG 39 5.332 1.900 1.900 330 2HB ARG 39 2HB ARG 39 4.155 2.932 2.932 331 1HG ARG 39 1HG ARG 39 2.783 2.850 2.850 332 2HG ARG 39 2HG ARG 39 2.703 1.093 1.093 333 1HD ARG 39 1HD ARG 39 4.549 0.807 0.807 334 2HD ARG 39 2HD ARG 39 5.232 2.413 2.413 335 HE ARG 39 HE ARG 39 2.489 2.330 2.330 336 1HH1 ARG 39 1HH1 ARG 39 5.876 2.928 2.928 337 2HH1 ARG 39 2HH1 ARG 39 5.579 3.829 3.829 338 1HH2 ARG 39 1HH2 ARG 39 2.245 3.322 3.322 339 2HH2 ARG 39 2HH2 ARG 39 3.607 4.049 4.049 340 H TYR 40 H TYR 40 2.747 -1.362 -1.362 341 HA TYR 40 HA TYR 40 0.028 -0.166 -0.166 342 1HB TYR 40 1HB TYR 40 0.802 -3.160 -3.160 343 2HB TYR 40 2HB TYR 40 -0.787 -2.610 -2.610 344 HD1 TYR 40 HD1 TYR 40 -0.650 -0.937 -0.937 345 HD2 TYR 40 HD2 TYR 40 1.796 -4.311 -4.311 346 HE1 TYR 40 HE1 TYR 40 -0.099 -1.301 -1.301 347 HE2 TYR 40 HE2 TYR 40 2.557 -4.481 -4.481 348 HH TYR 40 HH TYR 40 1.303 -3.610 -3.610 349 H SER 41 H SER 41 1.875 -1.740 -1.740 350 HA SER 41 HA SER 41 0.591 -0.786 -0.786 351 1HB SER 41 1HB SER 41 -1.629 -1.413 -1.413 352 2HB SER 41 2HB SER 41 -1.297 -2.763 -2.763 353 HG SER 41 HG SER 41 -1.903 -2.908 -2.908 354 HA PRO 42 HA PRO 42 2.374 -5.364 -5.364 355 1HB PRO 42 1HB PRO 42 3.799 -6.234 -6.234 356 2HB PRO 42 2HB PRO 42 2.048 -6.773 -6.773 357 1HG PRO 42 1HG PRO 42 2.888 -4.409 -4.409 358 2HG PRO 42 2HG PRO 42 1.793 -5.918 -5.918 359 1HD PRO 42 1HD PRO 42 0.965 -3.390 -3.390 360 2HD PRO 42 2HD PRO 42 0.235 -4.849 -4.849 361 H LYS 43 H LYS 43 4.260 -3.969 -3.969 362 HA LYS 43 HA LYS 43 6.427 -3.132 -3.132 363 1HB LYS 43 1HB LYS 43 6.353 -5.941 -5.941 364 2HB LYS 43 2HB LYS 43 7.614 -5.272 -5.272 365 1HG LYS 43 1HG LYS 43 8.338 -4.074 -4.074 366 2HG LYS 43 2HG LYS 43 7.498 -5.483 -5.483 367 1HD LYS 43 1HD LYS 43 9.501 -6.009 -6.009 368 2HD LYS 43 2HD LYS 43 10.178 -5.345 -5.345 369 1HE LYS 43 1HE LYS 43 10.190 -7.711 -7.711 370 2HE LYS 43 2HE LYS 43 8.718 -7.175 -7.175 371 1HZ LYS 43 1HZ LYS 43 7.753 -7.604 -7.604 372 2HZ LYS 43 2HZ LYS 43 8.992 -8.741 -8.741 373 3HZ LYS 43 3HZ LYS 43 7.803 -8.778 -8.778 Start of MODEL 18 1 1H MET 1 1H MET 1 -18.919 -10.243 -10.243 2 2H MET 1 2H MET 1 -20.101 -9.103 -9.103 3 3H MET 1 3H MET 1 -19.720 -9.436 -9.436 4 HA MET 1 HA MET 1 -21.644 -10.584 -10.584 5 1HB MET 1 1HB MET 1 -20.622 -11.384 -11.384 6 2HB MET 1 2HB MET 1 -22.132 -11.933 -11.933 7 1HG MET 1 1HG MET 1 -21.487 -9.001 -9.001 8 2HG MET 1 2HG MET 1 -22.574 -10.111 -10.111 9 1HE MET 1 1HE MET 1 -24.763 -10.791 -10.791 10 2HE MET 1 2HE MET 1 -24.331 -11.657 -11.657 11 3HE MET 1 3HE MET 1 -25.678 -10.476 -10.476 12 H LYS 2 H LYS 2 -19.282 -12.403 -12.403 13 HA LYS 2 HA LYS 2 -19.322 -14.454 -14.454 14 1HB LYS 2 1HB LYS 2 -20.286 -15.311 -15.311 15 2HB LYS 2 2HB LYS 2 -18.857 -14.804 -14.804 16 1HG LYS 2 1HG LYS 2 -19.119 -17.362 -17.362 17 2HG LYS 2 2HG LYS 2 -17.531 -16.604 -16.604 18 1HD LYS 2 1HD LYS 2 -17.501 -17.450 -17.450 19 2HD LYS 2 2HD LYS 2 -18.656 -16.180 -16.180 20 1HE LYS 2 1HE LYS 2 -19.437 -18.982 -18.982 21 2HE LYS 2 2HE LYS 2 -19.573 -18.475 -18.475 22 1HZ LYS 2 1HZ LYS 2 -20.924 -17.083 -17.083 23 2HZ LYS 2 2HZ LYS 2 -21.646 -18.228 -18.228 24 3HZ LYS 2 3HZ LYS 2 -21.117 -16.766 -16.766 25 H LEU 3 H LEU 3 -17.778 -12.127 -12.127 26 HA LEU 3 HA LEU 3 -15.004 -13.352 -13.352 27 1HB LEU 3 1HB LEU 3 -15.877 -11.768 -11.768 28 2HB LEU 3 2HB LEU 3 -15.107 -10.573 -10.573 29 HG LEU 3 HG LEU 3 -12.962 -11.884 -11.884 30 1HD1 LEU 3 1HD1 LEU 3 -14.705 -13.861 -13.861 31 2HD1 LEU 3 2HD1 LEU 3 -12.988 -13.728 -13.728 32 3HD1 LEU 3 3HD1 LEU 3 -13.446 -14.165 -14.165 33 1HD2 LEU 3 1HD2 LEU 3 -14.238 -10.845 -10.845 34 2HD2 LEU 3 2HD2 LEU 3 -12.810 -10.258 -10.258 35 3HD2 LEU 3 3HD2 LEU 3 -12.677 -11.706 -11.706 36 H LEU 4 H LEU 4 -13.366 -11.819 -11.819 37 HA LEU 4 HA LEU 4 -14.266 -10.975 -10.975 38 1HB LEU 4 1HB LEU 4 -11.758 -11.453 -11.453 39 2HB LEU 4 2HB LEU 4 -11.724 -9.729 -9.729 40 HG LEU 4 HG LEU 4 -12.502 -10.591 -10.591 41 1HD1 LEU 4 1HD1 LEU 4 -12.142 -13.050 -13.050 42 2HD1 LEU 4 2HD1 LEU 4 -10.491 -12.784 -12.784 43 3HD1 LEU 4 3HD1 LEU 4 -11.877 -12.763 -12.763 44 1HD2 LEU 4 1HD2 LEU 4 -10.436 -9.165 -9.165 45 2HD2 LEU 4 2HD2 LEU 4 -10.215 -10.206 -10.206 46 3HD2 LEU 4 3HD2 LEU 4 -9.525 -10.687 -10.687 47 H SER 5 H SER 5 -12.994 -8.663 -8.663 48 HA SER 5 HA SER 5 -14.970 -6.669 -6.669 49 1HB SER 5 1HB SER 5 -12.848 -6.664 -6.664 50 2HB SER 5 2HB SER 5 -12.069 -5.746 -5.746 51 HG SER 5 HG SER 5 -13.303 -4.564 -4.564 52 H SER 6 H SER 6 -11.668 -6.430 -6.430 53 HA SER 6 HA SER 6 -12.217 -6.769 -6.769 54 1HB SER 6 1HB SER 6 -13.375 -4.237 -4.237 55 2HB SER 6 2HB SER 6 -12.083 -3.864 -3.864 56 HG SER 6 HG SER 6 -13.141 -5.533 -5.533 57 H ILE 7 H ILE 7 -10.746 -4.805 -4.805 58 HA ILE 7 HA ILE 7 -8.417 -3.974 -3.974 59 HB ILE 7 HB ILE 7 -8.238 -6.777 -6.777 60 1HG1 ILE 7 1HG1 ILE 7 -7.546 -7.023 -7.023 61 2HG1 ILE 7 2HG1 ILE 7 -5.992 -6.417 -6.417 62 1HG2 ILE 7 1HG2 ILE 7 -6.147 -4.769 -4.769 63 2HG2 ILE 7 2HG2 ILE 7 -5.507 -6.255 -6.255 64 3HG2 ILE 7 3HG2 ILE 7 -6.641 -6.317 -6.317 65 1HD1 ILE 7 1HD1 ILE 7 -8.124 -4.534 -4.534 66 2HD1 ILE 7 2HD1 ILE 7 -6.777 -5.256 -5.256 67 3HD1 ILE 7 3HD1 ILE 7 -6.445 -4.123 -4.123 68 H GLU 8 H GLU 8 -8.820 -2.107 -2.107 69 HA GLU 8 HA GLU 8 -7.806 -2.384 -2.384 70 1HB GLU 8 1HB GLU 8 -9.855 -0.833 -0.833 71 2HB GLU 8 2HB GLU 8 -8.546 0.324 0.324 72 1HG GLU 8 1HG GLU 8 -9.570 0.779 0.779 73 2HG GLU 8 2HG GLU 8 -8.332 -0.331 -0.331 74 H GLN 9 H GLN 9 -5.748 -2.986 -2.986 75 HA GLN 9 HA GLN 9 -4.234 -1.092 -1.092 76 1HB GLN 9 1HB GLN 9 -2.665 -2.949 -2.949 77 2HB GLN 9 2HB GLN 9 -4.221 -3.752 -3.752 78 1HG GLN 9 1HG GLN 9 -3.731 -4.247 -4.247 79 2HG GLN 9 2HG GLN 9 -2.304 -3.239 -3.239 80 1HE2 GLN 9 1HE2 GLN 9 -0.404 -6.167 -6.167 81 2HE2 GLN 9 2HE2 GLN 9 -0.578 -4.478 -4.478 82 H ALA 10 H ALA 10 -4.976 -0.205 -0.205 83 HA ALA 10 HA ALA 10 -3.017 0.332 0.332 84 1HB ALA 10 1HB ALA 10 -5.173 1.555 1.555 85 2HB ALA 10 2HB ALA 10 -4.634 2.482 2.482 86 3HB ALA 10 3HB ALA 10 -3.851 2.728 2.728 87 H CYS 11 H CYS 11 -0.807 0.361 0.361 88 HA CYS 11 HA CYS 11 0.380 1.159 1.159 89 1HB CYS 11 1HB CYS 11 2.512 1.132 1.132 90 2HB CYS 11 2HB CYS 11 1.500 -0.107 -0.107 91 H ASP 12 H ASP 12 2.032 2.863 2.863 92 HA ASP 12 HA ASP 12 0.457 5.358 5.358 93 1HB ASP 12 1HB ASP 12 2.062 4.614 4.614 94 2HB ASP 12 2HB ASP 12 3.414 4.859 4.859 95 H ILE 13 H ILE 13 3.052 4.199 4.199 96 HA ILE 13 HA ILE 13 3.575 6.891 6.891 97 HB ILE 13 HB ILE 13 4.242 4.007 4.007 98 1HG1 ILE 13 1HG1 ILE 13 5.715 4.727 4.727 99 2HG1 ILE 13 2HG1 ILE 13 6.643 4.660 4.660 100 1HG2 ILE 13 1HG2 ILE 13 3.975 5.378 5.378 101 2HG2 ILE 13 2HG2 ILE 13 5.161 6.557 6.557 102 3HG2 ILE 13 3HG2 ILE 13 5.630 4.884 4.884 103 1HD1 ILE 13 1HD1 ILE 13 5.557 7.397 7.397 104 2HD1 ILE 13 2HD1 ILE 13 6.646 6.862 6.862 105 3HD1 ILE 13 3HD1 ILE 13 7.204 6.881 6.881 106 H CYS 14 H CYS 14 1.217 4.493 4.493 107 HA CYS 14 HA CYS 14 0.529 5.687 5.687 108 1HB CYS 14 1HB CYS 14 -0.582 3.437 3.437 109 2HB CYS 14 2HB CYS 14 -1.702 4.192 4.192 110 H ARG 15 H ARG 15 -0.743 5.843 5.843 111 HA ARG 15 HA ARG 15 -2.756 7.802 7.802 112 1HB ARG 15 1HB ARG 15 -2.693 7.225 7.225 113 2HB ARG 15 2HB ARG 15 -0.952 7.012 7.012 114 1HG ARG 15 1HG ARG 15 -1.116 9.821 9.821 115 2HG ARG 15 2HG ARG 15 -2.616 9.472 9.472 116 1HD ARG 15 1HD ARG 15 -0.675 7.845 7.845 117 2HD ARG 15 2HD ARG 15 0.194 9.357 9.357 118 HE ARG 15 HE ARG 15 -2.195 9.036 9.036 119 1HH1 ARG 15 1HH1 ARG 15 -0.195 11.319 11.319 120 2HH1 ARG 15 2HH1 ARG 15 -0.758 12.719 12.719 121 1HH2 ARG 15 1HH2 ARG 15 -2.761 10.599 10.599 122 2HH2 ARG 15 2HH2 ARG 15 -2.151 12.333 12.333 123 H LEU 16 H LEU 16 0.664 8.465 8.465 124 HA LEU 16 HA LEU 16 0.227 11.399 11.399 125 1HB LEU 16 1HB LEU 16 2.329 11.520 11.520 126 2HB LEU 16 2HB LEU 16 2.052 9.819 9.819 127 HG LEU 16 HG LEU 16 3.357 9.686 9.686 128 1HD1 LEU 16 1HD1 LEU 16 3.853 12.214 12.214 129 2HD1 LEU 16 2HD1 LEU 16 4.780 11.891 11.891 130 3HD1 LEU 16 3HD1 LEU 16 5.313 11.198 11.198 131 1HD2 LEU 16 1HD2 LEU 16 3.715 8.307 8.307 132 2HD2 LEU 16 2HD2 LEU 16 5.252 8.834 8.834 133 3HD2 LEU 16 3HD2 LEU 16 4.616 9.655 9.655 134 H LYS 17 H LYS 17 1.570 8.944 8.944 135 HA LYS 17 HA LYS 17 2.433 10.970 10.970 136 1HB LYS 17 1HB LYS 17 2.897 8.130 8.130 137 2HB LYS 17 2HB LYS 17 2.244 8.198 8.198 138 1HG LYS 17 1HG LYS 17 4.235 9.029 9.029 139 2HG LYS 17 2HG LYS 17 4.355 10.283 10.283 140 1HD LYS 17 1HD LYS 17 5.029 7.917 7.917 141 2HD LYS 17 2HD LYS 17 5.656 7.596 7.596 142 1HE LYS 17 1HE LYS 17 7.336 9.182 9.182 143 2HE LYS 17 2HE LYS 17 6.219 10.421 10.421 144 1HZ LYS 17 1HZ LYS 17 6.254 8.914 8.914 145 2HZ LYS 17 2HZ LYS 17 7.749 8.440 8.440 146 3HZ LYS 17 3HZ LYS 17 7.449 10.063 10.063 147 H LYS 18 H LYS 18 -0.392 9.233 9.233 148 HA LYS 18 HA LYS 18 -2.395 8.854 8.854 149 1HB LYS 18 1HB LYS 18 -1.459 11.319 11.319 150 2HB LYS 18 2HB LYS 18 -3.047 10.566 10.566 151 1HG LYS 18 1HG LYS 18 -3.490 11.087 11.087 152 2HG LYS 18 2HG LYS 18 -1.859 11.731 11.731 153 1HD LYS 18 1HD LYS 18 -4.300 12.896 12.896 154 2HD LYS 18 2HD LYS 18 -3.355 13.601 13.601 155 1HE LYS 18 1HE LYS 18 -1.995 13.063 13.063 156 2HE LYS 18 2HE LYS 18 -2.951 14.531 14.531 157 1HZ LYS 18 1HZ LYS 18 -0.704 13.665 13.665 158 2HZ LYS 18 2HZ LYS 18 -0.642 14.867 14.867 159 3HZ LYS 18 3HZ LYS 18 -1.613 15.068 15.068 160 H LEU 19 H LEU 19 -1.239 6.985 6.985 161 HA LEU 19 HA LEU 19 -1.303 6.668 6.668 162 1HB LEU 19 1HB LEU 19 0.440 4.766 4.766 163 2HB LEU 19 2HB LEU 19 0.464 5.032 5.032 164 HG LEU 19 HG LEU 19 2.423 6.067 6.067 165 1HD1 LEU 19 1HD1 LEU 19 0.669 8.017 8.017 166 2HD1 LEU 19 2HD1 LEU 19 1.003 8.482 8.482 167 3HD1 LEU 19 3HD1 LEU 19 2.323 8.451 8.451 168 1HD2 LEU 19 1HD2 LEU 19 2.405 5.291 5.291 169 2HD2 LEU 19 2HD2 LEU 19 3.272 6.832 6.832 170 3HD2 LEU 19 3HD2 LEU 19 1.624 6.813 6.813 171 H LYS 20 H LYS 20 -1.334 4.216 4.216 172 HA LYS 20 HA LYS 20 -3.639 3.073 3.073 173 1HB LYS 20 1HB LYS 20 -2.427 1.294 1.294 174 2HB LYS 20 2HB LYS 20 -4.103 1.779 1.779 175 1HG LYS 20 1HG LYS 20 -2.718 4.170 4.170 176 2HG LYS 20 2HG LYS 20 -2.063 2.845 2.845 177 1HD LYS 20 1HD LYS 20 -5.090 3.205 3.205 178 2HD LYS 20 2HD LYS 20 -4.207 4.212 4.212 179 1HE LYS 20 1HE LYS 20 -5.223 1.824 1.824 180 2HE LYS 20 2HE LYS 20 -3.675 2.388 2.388 181 1HZ LYS 20 1HZ LYS 20 -3.934 0.667 0.667 182 2HZ LYS 20 2HZ LYS 20 -3.590 0.117 0.117 183 3HZ LYS 20 3HZ LYS 20 -2.502 1.124 1.124 184 H CYS 21 H CYS 21 -3.632 1.031 1.031 185 HA CYS 21 HA CYS 21 -0.812 0.088 0.088 186 1HB CYS 21 1HB CYS 21 -2.311 1.501 1.501 187 2HB CYS 21 2HB CYS 21 -3.138 -0.042 -0.042 188 H SER 22 H SER 22 -1.189 -1.338 -1.338 189 HA SER 22 HA SER 22 -2.858 -3.593 -3.593 190 1HB SER 22 1HB SER 22 -0.698 -4.989 -4.989 191 2HB SER 22 2HB SER 22 -1.078 -3.639 -3.639 192 HG SER 22 HG SER 22 0.620 -3.322 -3.322 193 H LYS 23 H LYS 23 -0.338 -3.120 -3.120 194 HA LYS 23 HA LYS 23 -0.708 -3.643 -3.643 195 1HB LYS 23 1HB LYS 23 -2.992 -5.401 -5.401 196 2HB LYS 23 2HB LYS 23 -2.491 -5.459 -5.459 197 1HG LYS 23 1HG LYS 23 -3.315 -3.278 -3.278 198 2HG LYS 23 2HG LYS 23 -2.953 -2.676 -2.676 199 1HD LYS 23 1HD LYS 23 -4.985 -4.063 -4.063 200 2HD LYS 23 2HD LYS 23 -5.319 -4.460 -4.460 201 1HE LYS 23 1HE LYS 23 -6.295 -2.399 -2.399 202 2HE LYS 23 2HE LYS 23 -4.832 -1.555 -1.555 203 1HZ LYS 23 1HZ LYS 23 -6.603 -2.781 -2.781 204 2HZ LYS 23 2HZ LYS 23 -6.992 -1.290 -1.290 205 3HZ LYS 23 3HZ LYS 23 -5.541 -1.486 -1.486 206 H GLU 24 H GLU 24 1.567 -4.680 -4.680 207 HA GLU 24 HA GLU 24 1.469 -7.684 -7.684 208 1HB GLU 24 1HB GLU 24 3.618 -7.475 -7.475 209 2HB GLU 24 2HB GLU 24 2.005 -7.456 -7.456 210 1HG GLU 24 1HG GLU 24 2.118 -5.105 -5.105 211 2HG GLU 24 2HG GLU 24 3.472 -4.804 -4.804 212 H LYS 25 H LYS 25 3.804 -8.452 -8.452 213 HA LYS 25 HA LYS 25 4.643 -6.784 -6.784 214 1HB LYS 25 1HB LYS 25 4.111 -9.834 -9.834 215 2HB LYS 25 2HB LYS 25 4.703 -8.910 -8.910 216 1HG LYS 25 1HG LYS 25 2.539 -8.375 -8.375 217 2HG LYS 25 2HG LYS 25 2.284 -7.563 -7.563 218 1HD LYS 25 1HD LYS 25 1.460 -9.689 -9.689 219 2HD LYS 25 2HD LYS 25 1.963 -10.605 -10.605 220 1HE LYS 25 1HE LYS 25 -0.142 -10.199 -10.199 221 2HE LYS 25 2HE LYS 25 0.388 -8.531 -8.531 222 1HZ LYS 25 1HZ LYS 25 -0.252 -8.144 -8.144 223 2HZ LYS 25 2HZ LYS 25 -1.071 -9.610 -9.610 224 3HZ LYS 25 3HZ LYS 25 -1.499 -8.348 -8.348 225 HA PRO 26 HA PRO 26 6.048 -6.730 -6.730 226 1HB PRO 26 1HB PRO 26 8.146 -4.965 -4.965 227 2HB PRO 26 2HB PRO 26 8.307 -6.768 -6.768 228 1HG PRO 26 1HG PRO 26 8.884 -5.656 -5.656 229 2HG PRO 26 2HG PRO 26 10.045 -6.413 -6.413 230 1HD PRO 26 1HD PRO 26 8.782 -7.730 -7.730 231 2HD PRO 26 2HD PRO 26 8.784 -8.490 -8.490 232 H LYS 27 H LYS 27 7.476 -5.083 -5.083 233 HA LYS 27 HA LYS 27 5.668 -2.687 -2.687 234 1HB LYS 27 1HB LYS 27 7.670 -2.198 -2.198 235 2HB LYS 27 2HB LYS 27 7.459 -1.367 -1.367 236 1HG LYS 27 1HG LYS 27 8.661 -3.826 -3.826 237 2HG LYS 27 2HG LYS 27 9.409 -3.533 -3.533 238 1HD LYS 27 1HD LYS 27 10.852 -2.115 -2.115 239 2HD LYS 27 2HD LYS 27 9.503 -1.024 -1.024 240 1HE LYS 27 1HE LYS 27 9.764 -1.550 -1.550 241 2HE LYS 27 2HE LYS 27 9.155 -3.173 -3.173 242 1HZ LYS 27 1HZ LYS 27 11.988 -2.509 -2.509 243 2HZ LYS 27 2HZ LYS 27 11.473 -2.933 -2.933 244 3HZ LYS 27 3HZ LYS 27 11.280 -4.011 -4.011 245 H CYS 28 H CYS 28 4.333 -1.880 -1.880 246 HA CYS 28 HA CYS 28 3.383 -3.592 -3.592 247 1HB CYS 28 1HB CYS 28 2.874 -1.214 -1.214 248 2HB CYS 28 2HB CYS 28 1.980 -1.690 -1.690 249 H ALA 29 H ALA 29 3.551 -2.712 -2.712 250 HA ALA 29 HA ALA 29 6.285 -3.150 -3.150 251 1HB ALA 29 1HB ALA 29 4.157 -3.364 -3.364 252 2HB ALA 29 2HB ALA 29 3.890 -1.609 -1.609 253 3HB ALA 29 3HB ALA 29 5.296 -2.241 -2.241 254 H LYS 30 H LYS 30 4.401 -0.276 -0.276 255 HA LYS 30 HA LYS 30 6.164 1.784 1.784 256 1HB LYS 30 1HB LYS 30 3.837 1.545 1.545 257 2HB LYS 30 2HB LYS 30 5.006 2.083 2.083 258 1HG LYS 30 1HG LYS 30 3.512 3.763 3.763 259 2HG LYS 30 2HG LYS 30 4.906 4.257 4.257 260 1HD LYS 30 1HD LYS 30 6.361 4.156 4.156 261 2HD LYS 30 2HD LYS 30 5.285 3.059 3.059 262 1HE LYS 30 1HE LYS 30 3.509 5.143 5.143 263 2HE LYS 30 2HE LYS 30 5.003 6.089 6.089 264 1HZ LYS 30 1HZ LYS 30 4.437 4.108 4.108 265 2HZ LYS 30 2HZ LYS 30 4.181 5.766 5.766 266 3HZ LYS 30 3HZ LYS 30 5.739 5.169 5.169 267 H CYS 31 H CYS 31 6.062 0.747 0.747 268 HA CYS 31 HA CYS 31 8.396 2.371 2.371 269 1HB CYS 31 1HB CYS 31 7.261 -0.024 -0.024 270 2HB CYS 31 2HB CYS 31 8.272 1.259 1.259 271 H LEU 32 H LEU 32 8.058 -0.988 -0.988 272 HA LEU 32 HA LEU 32 10.868 -1.693 -1.693 273 1HB LEU 32 1HB LEU 32 8.719 -3.199 -3.199 274 2HB LEU 32 2HB LEU 32 9.316 -2.855 -2.855 275 HG LEU 32 HG LEU 32 11.628 -3.866 -3.866 276 1HD1 LEU 32 1HD1 LEU 32 10.242 -4.476 -4.476 277 2HD1 LEU 32 2HD1 LEU 32 9.289 -5.579 -5.579 278 3HD1 LEU 32 3HD1 LEU 32 11.036 -5.871 -5.871 279 1HD2 LEU 32 1HD2 LEU 32 10.601 -4.446 -4.446 280 2HD2 LEU 32 2HD2 LEU 32 11.154 -5.891 -5.891 281 3HD2 LEU 32 3HD2 LEU 32 9.421 -5.486 -5.486 282 H LYS 33 H LYS 33 9.295 -0.126 -0.126 283 HA LYS 33 HA LYS 33 11.715 -0.326 -0.326 284 1HB LYS 33 1HB LYS 33 9.111 1.355 1.355 285 2HB LYS 33 2HB LYS 33 10.398 1.525 1.525 286 1HG LYS 33 1HG LYS 33 10.147 -1.197 -1.197 287 2HG LYS 33 2HG LYS 33 8.565 -0.888 -0.888 288 1HD LYS 33 1HD LYS 33 8.731 0.985 0.985 289 2HD LYS 33 2HD LYS 33 9.615 -0.421 -0.421 290 1HE LYS 33 1HE LYS 33 7.243 -1.413 -1.413 291 2HE LYS 33 2HE LYS 33 6.710 -0.153 -0.153 292 1HZ LYS 33 1HZ LYS 33 8.532 -1.534 -1.534 293 2HZ LYS 33 2HZ LYS 33 7.793 -2.750 -2.750 294 3HZ LYS 33 3HZ LYS 33 6.863 -1.731 -1.731 295 H ASN 34 H ASN 34 10.515 1.809 1.809 296 HA ASN 34 HA ASN 34 12.795 3.753 3.753 297 1HB ASN 34 1HB ASN 34 9.908 4.243 4.243 298 2HB ASN 34 2HB ASN 34 11.149 5.441 5.441 299 1HD2 ASN 34 1HD2 ASN 34 10.172 5.043 5.043 300 2HD2 ASN 34 2HD2 ASN 34 10.909 3.607 3.607 301 H ASN 35 H ASN 35 12.550 1.352 1.352 302 HA ASN 35 HA ASN 35 13.201 0.885 0.885 303 1HB ASN 35 1HB ASN 35 15.478 1.208 1.208 304 2HB ASN 35 2HB ASN 35 15.263 1.969 1.969 305 1HD2 ASN 35 1HD2 ASN 35 15.967 5.198 5.198 306 2HD2 ASN 35 2HD2 ASN 35 14.410 4.604 4.604 307 H TRP 36 H TRP 36 11.201 1.556 1.556 308 HA TRP 36 HA TRP 36 11.261 4.129 4.129 309 1HB TRP 36 1HB TRP 36 9.062 2.888 2.888 310 2HB TRP 36 2HB TRP 36 8.611 4.002 4.002 311 HD1 TRP 36 HD1 TRP 36 11.571 5.743 5.743 312 HE1 TRP 36 HE1 TRP 36 11.342 7.587 7.587 313 HE3 TRP 36 HE3 TRP 36 7.288 3.907 3.907 314 HZ2 TRP 36 HZ2 TRP 36 9.367 8.070 8.070 315 HZ3 TRP 36 HZ3 TRP 36 6.371 4.989 4.989 316 HH2 TRP 36 HH2 TRP 36 7.347 7.075 7.075 317 H GLU 37 H GLU 37 9.295 4.049 4.049 318 HA GLU 37 HA GLU 37 9.705 1.382 1.382 319 1HB GLU 37 1HB GLU 37 10.639 3.643 3.643 320 2HB GLU 37 2HB GLU 37 8.984 4.119 4.119 321 1HG GLU 37 1HG GLU 37 10.428 3.065 3.065 322 2HG GLU 37 2HG GLU 37 8.731 2.674 2.674 323 H CYS 38 H CYS 38 7.957 0.974 0.974 324 HA CYS 38 HA CYS 38 5.242 1.520 1.520 325 1HB CYS 38 1HB CYS 38 6.395 -0.296 -0.296 326 2HB CYS 38 2HB CYS 38 6.331 -1.391 -1.391 327 H ARG 39 H ARG 39 4.534 2.241 2.241 328 HA ARG 39 HA ARG 39 4.518 0.371 0.371 329 1HB ARG 39 1HB ARG 39 5.131 2.722 2.722 330 2HB ARG 39 2HB ARG 39 3.740 3.338 3.338 331 1HG ARG 39 1HG ARG 39 2.353 3.130 3.130 332 2HG ARG 39 2HG ARG 39 2.914 1.495 1.495 333 1HD ARG 39 1HD ARG 39 3.430 3.627 3.627 334 2HD ARG 39 2HD ARG 39 4.525 2.225 2.225 335 HE ARG 39 HE ARG 39 4.894 4.909 4.909 336 1HH1 ARG 39 1HH1 ARG 39 6.220 1.773 1.773 337 2HH1 ARG 39 2HH1 ARG 39 7.912 2.287 2.287 338 1HH2 ARG 39 1HH2 ARG 39 6.748 5.390 5.390 339 2HH2 ARG 39 2HH2 ARG 39 8.205 4.250 4.250 340 H TYR 40 H TYR 40 3.130 -1.080 -1.080 341 HA TYR 40 HA TYR 40 0.474 -0.674 -0.674 342 1HB TYR 40 1HB TYR 40 2.121 -3.153 -3.153 343 2HB TYR 40 2HB TYR 40 0.421 -3.342 -3.342 344 HD1 TYR 40 HD1 TYR 40 0.554 -1.125 -1.125 345 HD2 TYR 40 HD2 TYR 40 2.755 -4.708 -4.708 346 HE1 TYR 40 HE1 TYR 40 0.307 -1.876 -1.876 347 HE2 TYR 40 HE2 TYR 40 2.634 -5.366 -5.366 348 HH TYR 40 HH TYR 40 0.396 -4.933 -4.933 349 H SER 41 H SER 41 0.537 0.672 0.672 350 HA SER 41 HA SER 41 -0.061 -0.863 -0.863 351 1HB SER 41 1HB SER 41 -1.534 1.462 1.462 352 2HB SER 41 2HB SER 41 0.179 1.300 1.300 353 HG SER 41 HG SER 41 -0.714 2.036 2.036 354 HA PRO 42 HA PRO 42 -3.816 -2.946 -2.946 355 1HB PRO 42 1HB PRO 42 -4.927 -2.640 -2.640 356 2HB PRO 42 2HB PRO 42 -3.677 -3.956 -3.956 357 1HG PRO 42 1HG PRO 42 -3.103 -1.157 -1.157 358 2HG PRO 42 2HG PRO 42 -2.581 -2.900 -2.900 359 1HD PRO 42 1HD PRO 42 -1.103 -1.082 -1.082 360 2HD PRO 42 2HD PRO 42 -1.176 -2.840 -2.840 361 H LYS 43 H LYS 43 -4.446 -0.326 -0.326 362 HA LYS 43 HA LYS 43 -6.476 0.815 0.815 363 1HB LYS 43 1HB LYS 43 -8.442 0.524 0.524 364 2HB LYS 43 2HB LYS 43 -7.754 -1.060 -1.060 365 1HG LYS 43 1HG LYS 43 -6.393 -0.210 -0.210 366 2HG LYS 43 2HG LYS 43 -8.028 0.413 0.413 367 1HD LYS 43 1HD LYS 43 -8.250 -2.326 -2.326 368 2HD LYS 43 2HD LYS 43 -6.959 -2.309 -2.309 369 1HE LYS 43 1HE LYS 43 -9.556 -0.765 -0.765 370 2HE LYS 43 2HE LYS 43 -9.548 -2.522 -2.522 371 1HZ LYS 43 1HZ LYS 43 -7.317 -0.952 -0.952 372 2HZ LYS 43 2HZ LYS 43 -8.794 -0.979 -0.979 373 3HZ LYS 43 3HZ LYS 43 -7.964 -2.414 -2.414 Start of MODEL 19 1 1H MET 1 1H MET 1 -23.890 9.719 9.719 2 2H MET 1 2H MET 1 -24.340 10.879 10.879 3 3H MET 1 3H MET 1 -22.756 10.317 10.317 4 HA MET 1 HA MET 1 -23.536 9.167 9.167 5 1HB MET 1 1HB MET 1 -25.851 9.868 9.868 6 2HB MET 1 2HB MET 1 -26.164 9.277 9.277 7 1HG MET 1 1HG MET 1 -27.329 7.745 7.745 8 2HG MET 1 2HG MET 1 -25.891 6.863 6.863 9 1HE MET 1 1HE MET 1 -27.481 9.140 9.140 10 2HE MET 1 2HE MET 1 -26.719 8.793 8.793 11 3HE MET 1 3HE MET 1 -25.890 9.858 9.858 12 H LYS 2 H LYS 2 -24.791 8.009 8.009 13 HA LYS 2 HA LYS 2 -23.424 5.355 5.355 14 1HB LYS 2 1HB LYS 2 -25.591 5.132 5.132 15 2HB LYS 2 2HB LYS 2 -25.321 6.484 6.484 16 1HG LYS 2 1HG LYS 2 -23.373 4.926 4.926 17 2HG LYS 2 2HG LYS 2 -24.188 3.624 3.624 18 1HD LYS 2 1HD LYS 2 -25.718 3.480 3.480 19 2HD LYS 2 2HD LYS 2 -26.167 5.187 5.187 20 1HE LYS 2 1HE LYS 2 -23.570 4.334 4.334 21 2HE LYS 2 2HE LYS 2 -25.102 4.536 4.536 22 1HZ LYS 2 1HZ LYS 2 -24.005 6.658 6.658 23 2HZ LYS 2 2HZ LYS 2 -23.634 6.544 6.544 24 3HZ LYS 2 3HZ LYS 2 -25.225 6.789 6.789 25 H LEU 3 H LEU 3 -21.405 5.216 5.216 26 HA LEU 3 HA LEU 3 -20.133 6.067 6.067 27 1HB LEU 3 1HB LEU 3 -20.059 8.231 8.231 28 2HB LEU 3 2HB LEU 3 -19.402 7.447 7.447 29 HG LEU 3 HG LEU 3 -17.228 7.333 7.333 30 1HD1 LEU 3 1HD1 LEU 3 -18.544 7.181 7.181 31 2HD1 LEU 3 2HD1 LEU 3 -16.828 7.630 7.630 32 3HD1 LEU 3 3HD1 LEU 3 -17.389 6.062 6.062 33 1HD2 LEU 3 1HD2 LEU 3 -18.224 9.812 9.812 34 2HD2 LEU 3 2HD2 LEU 3 -16.630 9.533 9.533 35 3HD2 LEU 3 3HD2 LEU 3 -18.055 9.717 9.717 36 H LEU 4 H LEU 4 -20.478 3.650 3.650 37 HA LEU 4 HA LEU 4 -17.761 2.790 2.790 38 1HB LEU 4 1HB LEU 4 -20.163 2.101 2.101 39 2HB LEU 4 2HB LEU 4 -20.168 0.912 0.912 40 HG LEU 4 HG LEU 4 -17.732 0.288 0.288 41 1HD1 LEU 4 1HD1 LEU 4 -19.050 1.980 1.980 42 2HD1 LEU 4 2HD1 LEU 4 -18.206 0.513 0.513 43 3HD1 LEU 4 3HD1 LEU 4 -17.323 1.767 1.767 44 1HD2 LEU 4 1HD2 LEU 4 -20.519 -0.641 -0.641 45 2HD2 LEU 4 2HD2 LEU 4 -19.120 -1.586 -1.586 46 3HD2 LEU 4 3HD2 LEU 4 -19.241 -1.103 -1.103 47 H SER 5 H SER 5 -18.494 0.029 0.029 48 HA SER 5 HA SER 5 -18.808 -1.067 -1.067 49 1HB SER 5 1HB SER 5 -19.433 1.331 1.331 50 2HB SER 5 2HB SER 5 -17.781 1.342 1.342 51 HG SER 5 HG SER 5 -18.491 -0.968 -0.968 52 H SER 6 H SER 6 -16.136 1.272 1.272 53 HA SER 6 HA SER 6 -14.247 -1.118 -1.118 54 1HB SER 6 1HB SER 6 -15.021 -0.463 -0.463 55 2HB SER 6 2HB SER 6 -14.038 0.981 0.981 56 HG SER 6 HG SER 6 -12.284 -0.585 -0.585 57 H ILE 7 H ILE 7 -12.996 -0.768 -0.768 58 HA ILE 7 HA ILE 7 -11.200 1.614 1.614 59 HB ILE 7 HB ILE 7 -13.340 2.302 2.302 60 1HG1 ILE 7 1HG1 ILE 7 -12.068 3.877 3.877 61 2HG1 ILE 7 2HG1 ILE 7 -10.618 2.909 2.909 62 1HG2 ILE 7 1HG2 ILE 7 -13.147 0.238 0.238 63 2HG2 ILE 7 2HG2 ILE 7 -11.890 1.210 1.210 64 3HG2 ILE 7 3HG2 ILE 7 -13.559 1.801 1.801 65 1HD1 ILE 7 1HD1 ILE 7 -11.783 4.012 4.012 66 2HD1 ILE 7 2HD1 ILE 7 -10.815 5.067 5.067 67 3HD1 ILE 7 3HD1 ILE 7 -10.105 3.582 3.582 68 H GLU 8 H GLU 8 -10.014 -0.270 -0.270 69 HA GLU 8 HA GLU 8 -8.993 -1.658 -1.658 70 1HB GLU 8 1HB GLU 8 -10.451 -2.881 -2.881 71 2HB GLU 8 2HB GLU 8 -8.892 -3.000 -3.000 72 1HG GLU 8 1HG GLU 8 -10.020 -4.706 -4.706 73 2HG GLU 8 2HG GLU 8 -8.564 -4.964 -4.964 74 H GLN 9 H GLN 9 -7.199 -2.923 -2.923 75 HA GLN 9 HA GLN 9 -4.894 -1.436 -1.436 76 1HB GLN 9 1HB GLN 9 -5.447 -3.885 -3.885 77 2HB GLN 9 2HB GLN 9 -4.164 -3.007 -3.007 78 1HG GLN 9 1HG GLN 9 -2.649 -3.173 -3.173 79 2HG GLN 9 2HG GLN 9 -3.940 -3.513 -3.513 80 1HE2 GLN 9 1HE2 GLN 9 -3.080 -6.818 -6.818 81 2HE2 GLN 9 2HE2 GLN 9 -3.582 -5.243 -5.243 82 H ALA 10 H ALA 10 -3.112 -1.464 -1.464 83 HA ALA 10 HA ALA 10 -2.703 -0.154 -0.154 84 1HB ALA 10 1HB ALA 10 -4.952 0.886 0.886 85 2HB ALA 10 2HB ALA 10 -4.638 1.901 1.901 86 3HB ALA 10 3HB ALA 10 -3.718 2.159 2.159 87 H CYS 11 H CYS 11 -0.612 0.740 0.740 88 HA CYS 11 HA CYS 11 0.255 1.072 1.072 89 1HB CYS 11 1HB CYS 11 2.525 1.175 1.175 90 2HB CYS 11 2HB CYS 11 1.618 -0.093 -0.093 91 H ASP 12 H ASP 12 1.872 2.844 2.844 92 HA ASP 12 HA ASP 12 0.270 5.317 5.317 93 1HB ASP 12 1HB ASP 12 1.879 4.757 4.757 94 2HB ASP 12 2HB ASP 12 3.227 4.799 4.799 95 H ILE 13 H ILE 13 3.221 4.329 4.329 96 HA ILE 13 HA ILE 13 3.793 6.771 6.771 97 HB ILE 13 HB ILE 13 4.230 3.836 3.836 98 1HG1 ILE 13 1HG1 ILE 13 5.970 4.700 4.700 99 2HG1 ILE 13 2HG1 ILE 13 6.682 4.634 4.634 100 1HG2 ILE 13 1HG2 ILE 13 3.685 4.917 4.917 101 2HG2 ILE 13 2HG2 ILE 13 5.055 6.027 6.027 102 3HG2 ILE 13 3HG2 ILE 13 5.304 4.275 4.275 103 1HD1 ILE 13 1HD1 ILE 13 5.799 7.232 7.232 104 2HD1 ILE 13 2HD1 ILE 13 6.070 7.085 7.085 105 3HD1 ILE 13 3HD1 ILE 13 7.405 6.764 6.764 106 H CYS 14 H CYS 14 1.306 4.491 4.491 107 HA CYS 14 HA CYS 14 0.784 5.805 5.805 108 1HB CYS 14 1HB CYS 14 -0.550 3.512 3.512 109 2HB CYS 14 2HB CYS 14 -1.380 4.238 4.238 110 H ARG 15 H ARG 15 -0.605 5.848 5.848 111 HA ARG 15 HA ARG 15 -2.709 7.694 7.694 112 1HB ARG 15 1HB ARG 15 -2.542 7.066 7.066 113 2HB ARG 15 2HB ARG 15 -0.789 7.067 7.067 114 1HG ARG 15 1HG ARG 15 -1.236 9.826 9.826 115 2HG ARG 15 2HG ARG 15 -2.733 9.332 9.332 116 1HD ARG 15 1HD ARG 15 -0.424 7.942 7.942 117 2HD ARG 15 2HD ARG 15 -0.152 9.703 9.703 118 HE ARG 15 HE ARG 15 -1.983 8.336 8.336 119 1HH1 ARG 15 1HH1 ARG 15 -2.083 11.109 11.109 120 2HH1 ARG 15 2HH1 ARG 15 -3.409 11.913 11.913 121 1HH2 ARG 15 1HH2 ARG 15 -3.411 9.269 9.269 122 2HH2 ARG 15 2HH2 ARG 15 -4.133 10.919 10.919 123 H LEU 16 H LEU 16 0.714 8.538 8.538 124 HA LEU 16 HA LEU 16 0.085 11.438 11.438 125 1HB LEU 16 1HB LEU 16 2.696 9.805 9.805 126 2HB LEU 16 2HB LEU 16 2.722 11.555 11.555 127 HG LEU 16 HG LEU 16 1.451 11.592 11.592 128 1HD1 LEU 16 1HD1 LEU 16 0.664 9.206 9.206 129 2HD1 LEU 16 2HD1 LEU 16 2.346 8.626 8.626 130 3HD1 LEU 16 3HD1 LEU 16 1.640 9.525 9.525 131 1HD2 LEU 16 1HD2 LEU 16 4.329 10.439 10.439 132 2HD2 LEU 16 2HD2 LEU 16 3.867 12.159 12.159 133 3HD2 LEU 16 3HD2 LEU 16 3.566 11.164 11.164 134 H LYS 17 H LYS 17 1.530 9.168 9.168 135 HA LYS 17 HA LYS 17 2.205 11.381 11.381 136 1HB LYS 17 1HB LYS 17 2.285 8.316 8.316 137 2HB LYS 17 2HB LYS 17 3.055 9.516 9.516 138 1HG LYS 17 1HG LYS 17 3.787 9.454 9.454 139 2HG LYS 17 2HG LYS 17 4.428 8.195 8.195 140 1HD LYS 17 1HD LYS 17 4.779 11.247 11.247 141 2HD LYS 17 2HD LYS 17 5.985 10.141 10.141 142 1HE LYS 17 1HE LYS 17 6.440 9.064 9.064 143 2HE LYS 17 2HE LYS 17 4.851 9.444 9.444 144 1HZ LYS 17 1HZ LYS 17 5.815 11.905 11.905 145 2HZ LYS 17 2HZ LYS 17 7.238 11.079 11.079 146 3HZ LYS 17 3HZ LYS 17 5.971 11.072 11.072 147 H LYS 18 H LYS 18 -0.489 9.457 9.457 148 HA LYS 18 HA LYS 18 -2.521 9.114 9.114 149 1HB LYS 18 1HB LYS 18 -1.562 11.611 11.611 150 2HB LYS 18 2HB LYS 18 -2.964 10.692 10.692 151 1HG LYS 18 1HG LYS 18 -3.965 10.998 10.998 152 2HG LYS 18 2HG LYS 18 -2.582 12.018 12.018 153 1HD LYS 18 1HD LYS 18 -4.039 12.840 12.840 154 2HD LYS 18 2HD LYS 18 -5.077 12.803 12.803 155 1HE LYS 18 1HE LYS 18 -3.592 14.317 14.317 156 2HE LYS 18 2HE LYS 18 -2.298 14.181 14.181 157 1HZ LYS 18 1HZ LYS 18 -4.879 15.043 15.043 158 2HZ LYS 18 2HZ LYS 18 -4.101 16.124 16.124 159 3HZ LYS 18 3HZ LYS 18 -3.327 15.580 15.580 160 H LEU 19 H LEU 19 -1.613 7.181 7.181 161 HA LEU 19 HA LEU 19 -0.946 6.658 6.658 162 1HB LEU 19 1HB LEU 19 0.565 5.650 5.650 163 2HB LEU 19 2HB LEU 19 0.615 4.738 4.738 164 HG LEU 19 HG LEU 19 2.295 5.987 5.987 165 1HD1 LEU 19 1HD1 LEU 19 0.736 7.862 7.862 166 2HD1 LEU 19 2HD1 LEU 19 0.931 8.588 8.588 167 3HD1 LEU 19 3HD1 LEU 19 2.319 8.492 8.492 168 1HD2 LEU 19 1HD2 LEU 19 2.262 6.995 6.995 169 2HD2 LEU 19 2HD2 LEU 19 3.365 5.831 5.831 170 3HD2 LEU 19 3HD2 LEU 19 3.512 7.552 7.552 171 H LYS 20 H LYS 20 -1.136 4.435 4.435 172 HA LYS 20 HA LYS 20 -3.441 3.102 3.102 173 1HB LYS 20 1HB LYS 20 -1.865 2.405 2.405 174 2HB LYS 20 2HB LYS 20 -3.077 1.319 1.319 175 1HG LYS 20 1HG LYS 20 -4.888 2.743 2.743 176 2HG LYS 20 2HG LYS 20 -3.944 4.217 4.217 177 1HD LYS 20 1HD LYS 20 -3.798 2.196 2.196 178 2HD LYS 20 2HD LYS 20 -4.583 3.787 3.787 179 1HE LYS 20 1HE LYS 20 -2.487 4.996 4.996 180 2HE LYS 20 2HE LYS 20 -1.605 3.590 3.590 181 1HZ LYS 20 1HZ LYS 20 -2.863 3.396 3.396 182 2HZ LYS 20 2HZ LYS 20 -1.431 4.261 4.261 183 3HZ LYS 20 3HZ LYS 20 -1.486 2.636 2.636 184 H CYS 21 H CYS 21 -3.392 0.896 0.896 185 HA CYS 21 HA CYS 21 -0.599 -0.005 -0.005 186 1HB CYS 21 1HB CYS 21 -1.883 1.566 1.566 187 2HB CYS 21 2HB CYS 21 -2.896 0.153 0.153 188 H SER 22 H SER 22 -1.182 -1.516 -1.516 189 HA SER 22 HA SER 22 -2.863 -3.747 -3.747 190 1HB SER 22 1HB SER 22 -0.785 -5.219 -5.219 191 2HB SER 22 2HB SER 22 -1.207 -3.921 -3.921 192 HG SER 22 HG SER 22 0.500 -2.735 -2.735 193 H LYS 23 H LYS 23 -0.438 -2.924 -2.924 194 HA LYS 23 HA LYS 23 -0.602 -3.465 -3.465 195 1HB LYS 23 1HB LYS 23 -2.820 -5.384 -5.384 196 2HB LYS 23 2HB LYS 23 -2.341 -5.331 -5.331 197 1HG LYS 23 1HG LYS 23 -2.774 -2.562 -2.562 198 2HG LYS 23 2HG LYS 23 -4.095 -3.484 -3.484 199 1HD LYS 23 1HD LYS 23 -4.399 -4.480 -4.480 200 2HD LYS 23 2HD LYS 23 -3.291 -3.196 -3.196 201 1HE LYS 23 1HE LYS 23 -6.055 -2.830 -2.830 202 2HE LYS 23 2HE LYS 23 -4.879 -1.506 -1.506 203 1HZ LYS 23 1HZ LYS 23 -5.612 -3.027 -3.027 204 2HZ LYS 23 2HZ LYS 23 -6.400 -1.625 -1.625 205 3HZ LYS 23 3HZ LYS 23 -4.766 -1.578 -1.578 206 H GLU 24 H GLU 24 0.531 -5.472 -5.472 207 HA GLU 24 HA GLU 24 1.422 -7.778 -7.778 208 1HB GLU 24 1HB GLU 24 3.764 -7.301 -7.301 209 2HB GLU 24 2HB GLU 24 2.358 -7.652 -7.652 210 1HG GLU 24 1HG GLU 24 2.115 -5.248 -5.248 211 2HG GLU 24 2HG GLU 24 3.357 -4.761 -4.761 212 H LYS 25 H LYS 25 3.448 -8.325 -8.325 213 HA LYS 25 HA LYS 25 4.213 -6.273 -6.273 214 1HB LYS 25 1HB LYS 25 3.079 -9.103 -9.103 215 2HB LYS 25 2HB LYS 25 3.784 -8.069 -8.069 216 1HG LYS 25 1HG LYS 25 1.862 -6.738 -6.738 217 2HG LYS 25 2HG LYS 25 1.653 -6.667 -6.667 218 1HD LYS 25 1HD LYS 25 -0.270 -7.825 -7.825 219 2HD LYS 25 2HD LYS 25 0.788 -9.182 -9.182 220 1HE LYS 25 1HE LYS 25 1.030 -9.888 -9.888 221 2HE LYS 25 2HE LYS 25 1.280 -8.245 -8.245 222 1HZ LYS 25 1HZ LYS 25 -1.212 -7.947 -7.947 223 2HZ LYS 25 2HZ LYS 25 -1.274 -9.627 -9.627 224 3HZ LYS 25 3HZ LYS 25 -0.757 -8.830 -8.830 225 HA PRO 26 HA PRO 26 5.334 -6.572 -6.572 226 1HB PRO 26 1HB PRO 26 7.706 -5.239 -5.239 227 2HB PRO 26 2HB PRO 26 7.426 -7.012 -7.012 228 1HG PRO 26 1HG PRO 26 8.585 -6.172 -6.172 229 2HG PRO 26 2HG PRO 26 9.394 -7.070 -7.070 230 1HD PRO 26 1HD PRO 26 8.184 -8.251 -8.251 231 2HD PRO 26 2HD PRO 26 7.772 -8.862 -8.862 232 H LYS 27 H LYS 27 7.378 -5.371 -5.371 233 HA LYS 27 HA LYS 27 5.782 -2.754 -2.754 234 1HB LYS 27 1HB LYS 27 8.149 -2.940 -2.940 235 2HB LYS 27 2HB LYS 27 7.679 -1.637 -1.637 236 1HG LYS 27 1HG LYS 27 8.773 -2.658 -2.658 237 2HG LYS 27 2HG LYS 27 8.751 -4.264 -4.264 238 1HD LYS 27 1HD LYS 27 10.781 -3.888 -3.888 239 2HD LYS 27 2HD LYS 27 10.358 -2.229 -2.229 240 1HE LYS 27 1HE LYS 27 11.668 -1.457 -1.457 241 2HE LYS 27 2HE LYS 27 10.468 -2.105 -2.105 242 1HZ LYS 27 1HZ LYS 27 11.968 -4.273 -4.273 243 2HZ LYS 27 2HZ LYS 27 13.063 -3.058 -3.058 244 3HZ LYS 27 3HZ LYS 27 11.952 -3.591 -3.591 245 H CYS 28 H CYS 28 4.461 -2.175 -2.175 246 HA CYS 28 HA CYS 28 3.634 -3.949 -3.949 247 1HB CYS 28 1HB CYS 28 2.994 -1.681 -1.681 248 2HB CYS 28 2HB CYS 28 2.177 -2.120 -2.120 249 H ALA 29 H ALA 29 3.776 -3.096 -3.096 250 HA ALA 29 HA ALA 29 6.459 -3.554 -3.554 251 1HB ALA 29 1HB ALA 29 4.305 -3.615 -3.615 252 2HB ALA 29 2HB ALA 29 4.124 -1.854 -1.854 253 3HB ALA 29 3HB ALA 29 5.484 -2.519 -2.519 254 H LYS 30 H LYS 30 4.719 -0.621 -0.621 255 HA LYS 30 HA LYS 30 6.729 1.141 1.141 256 1HB LYS 30 1HB LYS 30 4.230 1.643 1.643 257 2HB LYS 30 2HB LYS 30 4.693 1.911 1.911 258 1HG LYS 30 1HG LYS 30 6.041 3.864 3.864 259 2HG LYS 30 2HG LYS 30 6.207 3.387 3.387 260 1HD LYS 30 1HD LYS 30 3.944 4.178 4.178 261 2HD LYS 30 2HD LYS 30 3.505 4.247 4.247 262 1HE LYS 30 1HE LYS 30 4.372 6.375 6.375 263 2HE LYS 30 2HE LYS 30 5.964 5.822 5.822 264 1HZ LYS 30 1HZ LYS 30 4.067 5.977 5.977 265 2HZ LYS 30 2HZ LYS 30 4.306 7.453 7.453 266 3HZ LYS 30 3HZ LYS 30 5.617 6.617 6.617 267 H CYS 31 H CYS 31 6.164 0.500 0.500 268 HA CYS 31 HA CYS 31 8.354 2.274 2.274 269 1HB CYS 31 1HB CYS 31 7.324 -0.246 -0.246 270 2HB CYS 31 2HB CYS 31 8.276 1.045 1.045 271 H LEU 32 H LEU 32 8.208 -1.041 -1.041 272 HA LEU 32 HA LEU 32 11.066 -1.601 -1.601 273 1HB LEU 32 1HB LEU 32 9.285 -3.386 -3.386 274 2HB LEU 32 2HB LEU 32 9.202 -2.791 -2.791 275 HG LEU 32 HG LEU 32 11.581 -4.220 -4.220 276 1HD1 LEU 32 1HD1 LEU 32 9.647 -5.691 -5.691 277 2HD1 LEU 32 2HD1 LEU 32 9.698 -5.068 -5.068 278 3HD1 LEU 32 3HD1 LEU 32 11.059 -6.017 -6.017 279 1HD2 LEU 32 1HD2 LEU 32 11.399 -3.060 -3.060 280 2HD2 LEU 32 2HD2 LEU 32 12.528 -2.561 -2.561 281 3HD2 LEU 32 3HD2 LEU 32 12.671 -4.173 -4.173 282 H LYS 33 H LYS 33 9.367 -0.020 -0.020 283 HA LYS 33 HA LYS 33 11.704 -0.082 -0.082 284 1HB LYS 33 1HB LYS 33 9.075 1.569 1.569 285 2HB LYS 33 2HB LYS 33 10.307 1.828 1.828 286 1HG LYS 33 1HG LYS 33 9.995 -0.976 -0.976 287 2HG LYS 33 2HG LYS 33 8.374 -0.480 -0.480 288 1HD LYS 33 1HD LYS 33 8.045 0.719 0.719 289 2HD LYS 33 2HD LYS 33 9.784 0.941 0.941 290 1HE LYS 33 1HE LYS 33 9.100 -0.833 -0.833 291 2HE LYS 33 2HE LYS 33 10.013 -1.640 -1.640 292 1HZ LYS 33 1HZ LYS 33 7.608 -1.720 -1.720 293 2HZ LYS 33 2HZ LYS 33 7.143 -1.691 -1.691 294 3HZ LYS 33 3HZ LYS 33 8.166 -2.903 -2.903 295 H ASN 34 H ASN 34 10.617 1.892 1.892 296 HA ASN 34 HA ASN 34 12.725 3.993 3.993 297 1HB ASN 34 1HB ASN 34 9.890 4.194 4.194 298 2HB ASN 34 2HB ASN 34 11.042 5.419 5.419 299 1HD2 ASN 34 1HD2 ASN 34 9.165 5.818 5.818 300 2HD2 ASN 34 2HD2 ASN 34 8.629 4.699 4.699 301 H ASN 35 H ASN 35 12.575 1.440 1.440 302 HA ASN 35 HA ASN 35 13.032 0.865 0.865 303 1HB ASN 35 1HB ASN 35 15.229 1.390 1.390 304 2HB ASN 35 2HB ASN 35 14.994 3.142 3.142 305 1HD2 ASN 35 1HD2 ASN 35 17.092 1.673 1.673 306 2HD2 ASN 35 2HD2 ASN 35 17.503 2.274 2.274 307 H TRP 36 H TRP 36 11.102 1.415 1.415 308 HA TRP 36 HA TRP 36 11.150 4.054 4.054 309 1HB TRP 36 1HB TRP 36 8.956 2.752 2.752 310 2HB TRP 36 2HB TRP 36 8.473 3.842 3.842 311 HD1 TRP 36 HD1 TRP 36 11.429 5.627 5.627 312 HE1 TRP 36 HE1 TRP 36 11.101 7.539 7.539 313 HE3 TRP 36 HE3 TRP 36 7.139 3.760 3.760 314 HZ2 TRP 36 HZ2 TRP 36 9.045 8.049 8.049 315 HZ3 TRP 36 HZ3 TRP 36 6.008 5.005 5.005 316 HH2 TRP 36 HH2 TRP 36 6.983 7.077 7.077 317 H GLU 37 H GLU 37 9.229 4.035 4.035 318 HA GLU 37 HA GLU 37 9.531 1.408 1.408 319 1HB GLU 37 1HB GLU 37 10.426 3.540 3.540 320 2HB GLU 37 2HB GLU 37 8.841 4.274 4.274 321 1HG GLU 37 1HG GLU 37 7.987 2.385 2.385 322 2HG GLU 37 2HG GLU 37 9.647 1.880 1.880 323 H CYS 38 H CYS 38 7.879 0.954 0.954 324 HA CYS 38 HA CYS 38 5.134 1.461 1.461 325 1HB CYS 38 1HB CYS 38 6.313 -0.274 -0.274 326 2HB CYS 38 2HB CYS 38 6.345 -1.406 -1.406 327 H ARG 39 H ARG 39 4.373 2.108 2.108 328 HA ARG 39 HA ARG 39 4.502 0.196 0.196 329 1HB ARG 39 1HB ARG 39 5.008 2.947 2.947 330 2HB ARG 39 2HB ARG 39 3.327 2.987 2.987 331 1HG ARG 39 1HG ARG 39 4.847 1.064 1.064 332 2HG ARG 39 2HG ARG 39 5.679 2.614 2.614 333 1HD ARG 39 1HD ARG 39 3.416 3.741 3.741 334 2HD ARG 39 2HD ARG 39 2.743 2.105 2.105 335 HE ARG 39 HE ARG 39 5.240 2.226 2.226 336 1HH1 ARG 39 1HH1 ARG 39 2.073 3.630 3.630 337 2HH1 ARG 39 2HH1 ARG 39 2.207 3.844 3.844 338 1HH2 ARG 39 1HH2 ARG 39 5.314 2.491 2.491 339 2HH2 ARG 39 2HH2 ARG 39 3.966 3.226 3.226 340 H TYR 40 H TYR 40 3.013 -1.204 -1.204 341 HA TYR 40 HA TYR 40 0.227 -0.395 -0.395 342 1HB TYR 40 1HB TYR 40 1.497 -3.184 -3.184 343 2HB TYR 40 2HB TYR 40 -0.186 -2.986 -2.986 344 HD1 TYR 40 HD1 TYR 40 -0.479 -1.305 -1.305 345 HD2 TYR 40 HD2 TYR 40 2.508 -4.279 -4.279 346 HE1 TYR 40 HE1 TYR 40 0.040 -1.470 -1.470 347 HE2 TYR 40 HE2 TYR 40 2.892 -4.557 -4.557 348 HH TYR 40 HH TYR 40 1.289 -3.362 -3.362 349 H SER 41 H SER 41 -1.587 -0.865 -0.865 350 HA SER 41 HA SER 41 -1.075 -1.061 -1.061 351 1HB SER 41 1HB SER 41 -1.462 1.306 1.306 352 2HB SER 41 2HB SER 41 -2.834 0.989 0.989 353 HG SER 41 HG SER 41 -4.018 1.096 1.096 354 HA PRO 42 HA PRO 42 -4.056 -4.339 -4.339 355 1HB PRO 42 1HB PRO 42 -2.982 -6.279 -6.279 356 2HB PRO 42 2HB PRO 42 -2.372 -5.927 -5.927 357 1HG PRO 42 1HG PRO 42 -1.303 -4.722 -4.722 358 2HG PRO 42 2HG PRO 42 -0.450 -5.694 -5.694 359 1HD PRO 42 1HD PRO 42 -0.531 -2.954 -2.954 360 2HD PRO 42 2HD PRO 42 -0.744 -3.702 -3.702 361 H LYS 43 H LYS 43 -2.827 -4.712 -4.712 362 HA LYS 43 HA LYS 43 -5.782 -4.820 -4.820 363 1HB LYS 43 1HB LYS 43 -3.775 -6.873 -6.873 364 2HB LYS 43 2HB LYS 43 -3.889 -6.248 -6.248 365 1HG LYS 43 1HG LYS 43 -6.356 -7.151 -7.151 366 2HG LYS 43 2HG LYS 43 -5.470 -8.219 -8.219 367 1HD LYS 43 1HD LYS 43 -6.359 -7.153 -7.153 368 2HD LYS 43 2HD LYS 43 -6.496 -5.574 -5.574 369 1HE LYS 43 1HE LYS 43 -8.305 -6.692 -6.692 370 2HE LYS 43 2HE LYS 43 -8.339 -8.033 -8.033 371 1HZ LYS 43 1HZ LYS 43 -8.756 -5.180 -5.180 372 2HZ LYS 43 2HZ LYS 43 -9.974 -6.317 -6.317 373 3HZ LYS 43 3HZ LYS 43 -8.873 -6.504 -6.504 Start of MODEL 20 1 1H MET 1 1H MET 1 -1.767 -19.409 -19.409 2 2H MET 1 2H MET 1 -2.105 -20.722 -20.722 3 3H MET 1 3H MET 1 -1.013 -19.546 -19.546 4 HA MET 1 HA MET 1 -2.672 -17.907 -17.907 5 1HB MET 1 1HB MET 1 -4.296 -19.252 -19.252 6 2HB MET 1 2HB MET 1 -2.605 -19.045 -19.045 7 1HG MET 1 1HG MET 1 -3.306 -21.595 -21.595 8 2HG MET 1 2HG MET 1 -3.830 -21.445 -21.445 9 1HE MET 1 1HE MET 1 -2.099 -23.586 -23.586 10 2HE MET 1 2HE MET 1 -2.100 -23.579 -23.579 11 3HE MET 1 3HE MET 1 -0.552 -23.698 -23.698 12 H LYS 2 H LYS 2 -3.107 -18.217 -18.217 13 HA LYS 2 HA LYS 2 -5.495 -19.643 -19.643 14 1HB LYS 2 1HB LYS 2 -3.737 -17.482 -17.482 15 2HB LYS 2 2HB LYS 2 -5.410 -17.227 -17.227 16 1HG LYS 2 1HG LYS 2 -3.752 -19.808 -19.808 17 2HG LYS 2 2HG LYS 2 -4.177 -18.606 -18.606 18 1HD LYS 2 1HD LYS 2 -6.504 -19.309 -19.309 19 2HD LYS 2 2HD LYS 2 -6.321 -20.137 -20.137 20 1HE LYS 2 1HE LYS 2 -6.298 -21.830 -21.830 21 2HE LYS 2 2HE LYS 2 -4.734 -21.825 -21.825 22 1HZ LYS 2 1HZ LYS 2 -5.122 -20.021 -20.021 23 2HZ LYS 2 2HZ LYS 2 -4.832 -21.657 -21.657 24 3HZ LYS 2 3HZ LYS 2 -3.713 -20.730 -20.730 25 H LEU 3 H LEU 3 -7.411 -18.430 -18.430 26 HA LEU 3 HA LEU 3 -8.595 -17.012 -17.012 27 1HB LEU 3 1HB LEU 3 -9.387 -19.433 -19.433 28 2HB LEU 3 2HB LEU 3 -10.335 -18.400 -18.400 29 HG LEU 3 HG LEU 3 -11.664 -17.536 -17.536 30 1HD1 LEU 3 1HD1 LEU 3 -9.465 -18.661 -18.661 31 2HD1 LEU 3 2HD1 LEU 3 -11.093 -18.286 -18.286 32 3HD1 LEU 3 3HD1 LEU 3 -10.100 -17.000 -17.000 33 1HD2 LEU 3 1HD2 LEU 3 -11.153 -20.550 -20.550 34 2HD2 LEU 3 2HD2 LEU 3 -12.382 -19.840 -19.840 35 3HD2 LEU 3 3HD2 LEU 3 -12.520 -19.662 -19.662 36 H LEU 4 H LEU 4 -8.467 -17.049 -17.049 37 HA LEU 4 HA LEU 4 -10.230 -14.564 -14.564 38 1HB LEU 4 1HB LEU 4 -9.307 -16.424 -16.424 39 2HB LEU 4 2HB LEU 4 -10.258 -14.974 -14.974 40 HG LEU 4 HG LEU 4 -12.132 -16.191 -16.191 41 1HD1 LEU 4 1HD1 LEU 4 -11.295 -16.119 -16.119 42 2HD1 LEU 4 2HD1 LEU 4 -12.230 -17.584 -17.584 43 3HD1 LEU 4 3HD1 LEU 4 -12.916 -15.987 -15.987 44 1HD2 LEU 4 1HD2 LEU 4 -10.208 -18.253 -18.253 45 2HD2 LEU 4 2HD2 LEU 4 -11.973 -18.455 -18.455 46 3HD2 LEU 4 3HD2 LEU 4 -11.175 -18.772 -18.772 47 H SER 5 H SER 5 -7.989 -15.134 -15.134 48 HA SER 5 HA SER 5 -6.939 -13.230 -13.230 49 1HB SER 5 1HB SER 5 -5.395 -15.000 -15.000 50 2HB SER 5 2HB SER 5 -4.845 -13.503 -13.503 51 HG SER 5 HG SER 5 -4.950 -13.102 -13.102 52 H SER 6 H SER 6 -8.851 -12.010 -12.010 53 HA SER 6 HA SER 6 -9.300 -9.725 -9.725 54 1HB SER 6 1HB SER 6 -8.132 -8.776 -8.776 55 2HB SER 6 2HB SER 6 -6.641 -9.642 -9.642 56 HG SER 6 HG SER 6 -5.954 -7.974 -7.974 57 H ILE 7 H ILE 7 -8.606 -7.762 -7.762 58 HA ILE 7 HA ILE 7 -6.895 -7.965 -7.965 59 HB ILE 7 HB ILE 7 -9.554 -8.426 -8.426 60 1HG1 ILE 7 1HG1 ILE 7 -7.959 -10.997 -10.997 61 2HG1 ILE 7 2HG1 ILE 7 -9.192 -10.540 -10.540 62 1HG2 ILE 7 1HG2 ILE 7 -6.583 -8.966 -8.966 63 2HG2 ILE 7 2HG2 ILE 7 -7.858 -9.615 -9.615 64 3HG2 ILE 7 3HG2 ILE 7 -7.720 -7.852 -7.852 65 1HD1 ILE 7 1HD1 ILE 7 -10.069 -10.550 -10.550 66 2HD1 ILE 7 2HD1 ILE 7 -9.868 -12.087 -12.087 67 3HD1 ILE 7 3HD1 ILE 7 -11.004 -10.870 -10.870 68 H GLU 8 H GLU 8 -6.759 -5.732 -5.732 69 HA GLU 8 HA GLU 8 -8.628 -4.095 -4.095 70 1HB GLU 8 1HB GLU 8 -9.522 -4.844 -4.844 71 2HB GLU 8 2HB GLU 8 -9.257 -3.117 -3.117 72 1HG GLU 8 1HG GLU 8 -10.818 -3.638 -3.638 73 2HG GLU 8 2HG GLU 8 -11.509 -4.682 -4.682 74 H GLN 9 H GLN 9 -6.317 -4.252 -4.252 75 HA GLN 9 HA GLN 9 -5.893 -1.528 -1.528 76 1HB GLN 9 1HB GLN 9 -3.516 -2.228 -2.228 77 2HB GLN 9 2HB GLN 9 -4.702 -3.393 -3.393 78 1HG GLN 9 1HG GLN 9 -3.465 -3.882 -3.882 79 2HG GLN 9 2HG GLN 9 -2.439 -4.146 -4.146 80 1HE2 GLN 9 1HE2 GLN 9 -4.795 -7.093 -7.093 81 2HE2 GLN 9 2HE2 GLN 9 -4.280 -5.618 -5.618 82 H ALA 10 H ALA 10 -4.061 -0.173 -0.173 83 HA ALA 10 HA ALA 10 -2.807 -0.356 -0.356 84 1HB ALA 10 1HB ALA 10 -4.935 0.861 0.861 85 2HB ALA 10 2HB ALA 10 -4.602 2.067 2.067 86 3HB ALA 10 3HB ALA 10 -3.563 1.973 1.973 87 H CYS 11 H CYS 11 -0.812 0.782 0.782 88 HA CYS 11 HA CYS 11 0.244 0.971 0.971 89 1HB CYS 11 1HB CYS 11 2.456 1.158 1.158 90 2HB CYS 11 2HB CYS 11 1.499 -0.132 -0.132 91 H ASP 12 H ASP 12 1.882 2.586 2.586 92 HA ASP 12 HA ASP 12 0.670 5.189 5.189 93 1HB ASP 12 1HB ASP 12 2.391 5.193 5.193 94 2HB ASP 12 2HB ASP 12 3.252 3.933 3.933 95 H ILE 13 H ILE 13 3.354 4.175 4.175 96 HA ILE 13 HA ILE 13 3.810 6.773 6.773 97 HB ILE 13 HB ILE 13 4.353 3.916 3.916 98 1HG1 ILE 13 1HG1 ILE 13 6.081 4.765 4.765 99 2HG1 ILE 13 2HG1 ILE 13 6.763 4.825 4.825 100 1HG2 ILE 13 1HG2 ILE 13 3.698 5.164 5.164 101 2HG2 ILE 13 2HG2 ILE 13 5.019 6.273 6.273 102 3HG2 ILE 13 3HG2 ILE 13 5.363 4.544 4.544 103 1HD1 ILE 13 1HD1 ILE 13 6.293 7.289 7.289 104 2HD1 ILE 13 2HD1 ILE 13 5.621 7.281 7.281 105 3HD1 ILE 13 3HD1 ILE 13 7.345 6.918 6.918 106 H CYS 14 H CYS 14 1.355 4.488 4.488 107 HA CYS 14 HA CYS 14 0.678 5.894 5.894 108 1HB CYS 14 1HB CYS 14 -0.454 3.475 3.475 109 2HB CYS 14 2HB CYS 14 -1.470 4.259 4.259 110 H ARG 15 H ARG 15 -0.563 5.751 5.751 111 HA ARG 15 HA ARG 15 -2.724 7.571 7.571 112 1HB ARG 15 1HB ARG 15 -0.535 7.546 7.546 113 2HB ARG 15 2HB ARG 15 -2.089 8.340 8.340 114 1HG ARG 15 1HG ARG 15 -3.291 6.147 6.147 115 2HG ARG 15 2HG ARG 15 -1.845 5.304 5.304 116 1HD ARG 15 1HD ARG 15 -2.415 5.033 5.033 117 2HD ARG 15 2HD ARG 15 -0.749 5.579 5.579 118 HE ARG 15 HE ARG 15 -1.354 7.851 7.851 119 1HH1 ARG 15 1HH1 ARG 15 -3.988 5.631 5.631 120 2HH1 ARG 15 2HH1 ARG 15 -4.887 6.790 6.790 121 1HH2 ARG 15 1HH2 ARG 15 -2.383 9.050 9.050 122 2HH2 ARG 15 2HH2 ARG 15 -4.019 8.650 8.650 123 H LEU 16 H LEU 16 0.676 8.474 8.474 124 HA LEU 16 HA LEU 16 0.026 11.354 11.354 125 1HB LEU 16 1HB LEU 16 2.680 9.808 9.808 126 2HB LEU 16 2HB LEU 16 2.623 11.558 11.558 127 HG LEU 16 HG LEU 16 2.987 11.293 11.293 128 1HD1 LEU 16 1HD1 LEU 16 0.495 11.952 11.952 129 2HD1 LEU 16 2HD1 LEU 16 0.078 10.251 10.251 130 3HD1 LEU 16 3HD1 LEU 16 1.003 11.119 11.119 131 1HD2 LEU 16 1HD2 LEU 16 3.517 8.834 8.834 132 2HD2 LEU 16 2HD2 LEU 16 2.789 9.122 9.122 133 3HD2 LEU 16 3HD2 LEU 16 1.812 8.435 8.435 134 H LYS 17 H LYS 17 1.504 9.223 9.223 135 HA LYS 17 HA LYS 17 1.873 11.507 11.507 136 1HB LYS 17 1HB LYS 17 2.110 8.483 8.483 137 2HB LYS 17 2HB LYS 17 2.851 9.798 9.798 138 1HG LYS 17 1HG LYS 17 4.330 10.350 10.350 139 2HG LYS 17 2HG LYS 17 3.527 9.105 9.105 140 1HD LYS 17 1HD LYS 17 5.079 7.615 7.615 141 2HD LYS 17 2HD LYS 17 4.490 7.838 7.838 142 1HE LYS 17 1HE LYS 17 6.845 8.504 8.504 143 2HE LYS 17 2HE LYS 17 5.924 10.015 10.015 144 1HZ LYS 17 1HZ LYS 17 6.110 10.066 10.066 145 2HZ LYS 17 2HZ LYS 17 7.246 8.834 8.834 146 3HZ LYS 17 3HZ LYS 17 7.534 10.321 10.321 147 H LYS 18 H LYS 18 -0.591 9.328 9.328 148 HA LYS 18 HA LYS 18 -2.567 8.650 8.650 149 1HB LYS 18 1HB LYS 18 -2.151 11.472 11.472 150 2HB LYS 18 2HB LYS 18 -3.310 10.411 10.411 151 1HG LYS 18 1HG LYS 18 -4.864 11.046 11.046 152 2HG LYS 18 2HG LYS 18 -3.970 10.047 10.047 153 1HD LYS 18 1HD LYS 18 -4.576 12.491 12.491 154 2HD LYS 18 2HD LYS 18 -2.909 11.974 11.974 155 1HE LYS 18 1HE LYS 18 -3.056 14.278 14.278 156 2HE LYS 18 2HE LYS 18 -2.032 13.124 13.124 157 1HZ LYS 18 1HZ LYS 18 -4.916 13.327 13.327 158 2HZ LYS 18 2HZ LYS 18 -3.800 14.393 14.393 159 3HZ LYS 18 3HZ LYS 18 -3.660 12.742 12.742 160 H LEU 19 H LEU 19 -1.310 6.995 6.995 161 HA LEU 19 HA LEU 19 -0.569 6.987 6.987 162 1HB LEU 19 1HB LEU 19 1.012 6.150 6.150 163 2HB LEU 19 2HB LEU 19 1.097 5.043 5.043 164 HG LEU 19 HG LEU 19 2.499 6.383 6.383 165 1HD1 LEU 19 1HD1 LEU 19 1.036 8.855 8.855 166 2HD1 LEU 19 2HD1 LEU 19 2.392 8.950 8.950 167 3HD1 LEU 19 3HD1 LEU 19 0.863 8.171 8.171 168 1HD2 LEU 19 1HD2 LEU 19 2.919 7.005 7.005 169 2HD2 LEU 19 2HD2 LEU 19 4.113 6.532 6.532 170 3HD2 LEU 19 3HD2 LEU 19 3.593 8.227 8.227 171 H LYS 20 H LYS 20 -0.040 4.612 4.612 172 HA LYS 20 HA LYS 20 -2.570 3.066 3.066 173 1HB LYS 20 1HB LYS 20 -0.254 2.709 2.709 174 2HB LYS 20 2HB LYS 20 -1.374 1.386 1.386 175 1HG LYS 20 1HG LYS 20 -2.972 3.814 3.814 176 2HG LYS 20 2HG LYS 20 -1.726 3.759 3.759 177 1HD LYS 20 1HD LYS 20 -2.822 1.094 1.094 178 2HD LYS 20 2HD LYS 20 -4.206 2.192 2.192 179 1HE LYS 20 1HE LYS 20 -4.122 2.703 2.703 180 2HE LYS 20 2HE LYS 20 -2.471 3.321 3.321 181 1HZ LYS 20 1HZ LYS 20 -1.781 0.878 0.878 182 2HZ LYS 20 2HZ LYS 20 -3.320 0.552 0.552 183 3HZ LYS 20 3HZ LYS 20 -2.281 1.555 1.555 184 H CYS 21 H CYS 21 -2.729 1.155 1.155 185 HA CYS 21 HA CYS 21 -0.163 0.072 0.072 186 1HB CYS 21 1HB CYS 21 -1.584 1.669 1.669 187 2HB CYS 21 2HB CYS 21 -2.811 0.394 0.394 188 H SER 22 H SER 22 -0.468 -1.362 -1.362 189 HA SER 22 HA SER 22 -2.319 -3.456 -3.456 190 1HB SER 22 1HB SER 22 -0.228 -5.047 -5.047 191 2HB SER 22 2HB SER 22 -0.407 -3.714 -3.714 192 HG SER 22 HG SER 22 1.309 -2.765 -2.765 193 H LYS 23 H LYS 23 -0.224 -3.035 -3.035 194 HA LYS 23 HA LYS 23 -0.974 -3.593 -3.593 195 1HB LYS 23 1HB LYS 23 -3.036 -5.223 -5.223 196 2HB LYS 23 2HB LYS 23 -2.786 -5.571 -5.571 197 1HG LYS 23 1HG LYS 23 -3.461 -3.328 -3.328 198 2HG LYS 23 2HG LYS 23 -3.175 -2.657 -2.657 199 1HD LYS 23 1HD LYS 23 -5.208 -4.437 -4.437 200 2HD LYS 23 2HD LYS 23 -5.553 -4.165 -4.165 201 1HE LYS 23 1HE LYS 23 -5.351 -1.601 -1.601 202 2HE LYS 23 2HE LYS 23 -5.290 -1.961 -1.961 203 1HZ LYS 23 1HZ LYS 23 -7.456 -3.082 -3.082 204 2HZ LYS 23 2HZ LYS 23 -7.549 -1.524 -1.524 205 3HZ LYS 23 3HZ LYS 23 -7.419 -2.841 -2.841 206 H GLU 24 H GLU 24 1.346 -4.610 -4.610 207 HA GLU 24 HA GLU 24 1.259 -7.602 -7.602 208 1HB GLU 24 1HB GLU 24 3.452 -7.635 -7.635 209 2HB GLU 24 2HB GLU 24 1.938 -7.395 -7.395 210 1HG GLU 24 1HG GLU 24 2.580 -5.330 -5.330 211 2HG GLU 24 2HG GLU 24 3.366 -4.813 -4.813 212 H LYS 25 H LYS 25 3.482 -8.418 -8.418 213 HA LYS 25 HA LYS 25 4.283 -6.662 -6.662 214 1HB LYS 25 1HB LYS 25 3.646 -9.687 -9.687 215 2HB LYS 25 2HB LYS 25 4.100 -8.667 -8.667 216 1HG LYS 25 1HG LYS 25 1.955 -7.284 -7.284 217 2HG LYS 25 2HG LYS 25 1.520 -8.364 -8.364 218 1HD LYS 25 1HD LYS 25 1.031 -10.153 -10.153 219 2HD LYS 25 2HD LYS 25 2.081 -9.502 -9.502 220 1HE LYS 25 1HE LYS 25 -0.628 -8.322 -8.322 221 2HE LYS 25 2HE LYS 25 -0.270 -9.006 -9.006 222 1HZ LYS 25 1HZ LYS 25 1.665 -7.057 -7.057 223 2HZ LYS 25 2HZ LYS 25 0.184 -6.385 -6.385 224 3HZ LYS 25 3HZ LYS 25 0.408 -7.019 -7.019 225 HA PRO 26 HA PRO 26 5.640 -6.547 -6.547 226 1HB PRO 26 1HB PRO 26 7.849 -4.915 -4.915 227 2HB PRO 26 2HB PRO 26 7.864 -6.682 -6.682 228 1HG PRO 26 1HG PRO 26 8.607 -5.806 -5.806 229 2HG PRO 26 2HG PRO 26 9.680 -6.534 -6.534 230 1HD PRO 26 1HD PRO 26 8.410 -7.931 -7.931 231 2HD PRO 26 2HD PRO 26 8.302 -8.550 -8.550 232 H LYS 27 H LYS 27 7.284 -5.185 -5.185 233 HA LYS 27 HA LYS 27 5.640 -2.630 -2.630 234 1HB LYS 27 1HB LYS 27 8.016 -2.888 -2.888 235 2HB LYS 27 2HB LYS 27 7.395 -1.446 -1.446 236 1HG LYS 27 1HG LYS 27 8.752 -1.761 -1.761 237 2HG LYS 27 2HG LYS 27 8.273 -3.449 -3.449 238 1HD LYS 27 1HD LYS 27 10.332 -4.067 -4.067 239 2HD LYS 27 2HD LYS 27 10.054 -3.212 -3.212 240 1HE LYS 27 1HE LYS 27 11.950 -2.030 -2.030 241 2HE LYS 27 2HE LYS 27 10.606 -0.977 -0.977 242 1HZ LYS 27 1HZ LYS 27 11.421 -3.150 -3.150 243 2HZ LYS 27 2HZ LYS 27 12.310 -1.724 -1.724 244 3HZ LYS 27 3HZ LYS 27 10.679 -1.682 -1.682 245 H CYS 28 H CYS 28 4.302 -1.911 -1.911 246 HA CYS 28 HA CYS 28 3.306 -3.633 -3.633 247 1HB CYS 28 1HB CYS 28 2.890 -1.319 -1.319 248 2HB CYS 28 2HB CYS 28 1.999 -1.680 -1.680 249 H ALA 29 H ALA 29 3.492 -2.991 -2.991 250 HA ALA 29 HA ALA 29 6.158 -3.581 -3.581 251 1HB ALA 29 1HB ALA 29 3.979 -3.697 -3.697 252 2HB ALA 29 2HB ALA 29 3.835 -1.925 -1.925 253 3HB ALA 29 3HB ALA 29 5.169 -2.680 -2.680 254 H LYS 30 H LYS 30 4.469 -0.603 -0.603 255 HA LYS 30 HA LYS 30 6.445 1.117 1.117 256 1HB LYS 30 1HB LYS 30 4.728 2.594 2.594 257 2HB LYS 30 2HB LYS 30 3.853 1.375 1.375 258 1HG LYS 30 1HG LYS 30 4.525 2.344 2.344 259 2HG LYS 30 2HG LYS 30 5.863 3.242 3.242 260 1HD LYS 30 1HD LYS 30 2.949 3.891 3.891 261 2HD LYS 30 2HD LYS 30 4.347 4.982 4.982 262 1HE LYS 30 1HE LYS 30 3.359 5.447 5.447 263 2HE LYS 30 2HE LYS 30 4.554 4.219 4.219 264 1HZ LYS 30 1HZ LYS 30 2.519 2.646 2.646 265 2HZ LYS 30 2HZ LYS 30 1.658 3.993 3.993 266 3HZ LYS 30 3HZ LYS 30 2.755 3.244 3.244 267 H CYS 31 H CYS 31 6.143 0.358 0.358 268 HA CYS 31 HA CYS 31 8.289 2.303 2.303 269 1HB CYS 31 1HB CYS 31 7.229 -0.098 -0.098 270 2HB CYS 31 2HB CYS 31 8.339 1.120 1.120 271 H LEU 32 H LEU 32 8.070 -1.069 -1.069 272 HA LEU 32 HA LEU 32 10.932 -1.663 -1.663 273 1HB LEU 32 1HB LEU 32 8.872 -3.286 -3.286 274 2HB LEU 32 2HB LEU 32 9.137 -2.813 -2.813 275 HG LEU 32 HG LEU 32 10.703 -4.681 -4.681 276 1HD1 LEU 32 1HD1 LEU 32 9.211 -5.474 -5.474 277 2HD1 LEU 32 2HD1 LEU 32 10.179 -4.567 -4.567 278 3HD1 LEU 32 3HD1 LEU 32 10.898 -5.932 -5.932 279 1HD2 LEU 32 1HD2 LEU 32 12.148 -2.973 -2.973 280 2HD2 LEU 32 2HD2 LEU 32 12.512 -3.033 -3.033 281 3HD2 LEU 32 3HD2 LEU 32 12.809 -4.458 -4.458 282 H LYS 33 H LYS 33 9.130 -0.041 -0.041 283 HA LYS 33 HA LYS 33 11.340 -0.225 -0.225 284 1HB LYS 33 1HB LYS 33 8.736 1.463 1.463 285 2HB LYS 33 2HB LYS 33 9.891 1.646 1.646 286 1HG LYS 33 1HG LYS 33 8.855 -1.185 -1.185 287 2HG LYS 33 2HG LYS 33 7.769 -0.070 -0.070 288 1HD LYS 33 1HD LYS 33 10.308 -1.455 -1.455 289 2HD LYS 33 2HD LYS 33 8.744 -1.276 -1.276 290 1HE LYS 33 1HE LYS 33 10.872 0.947 0.947 291 2HE LYS 33 2HE LYS 33 10.403 0.198 0.198 292 1HZ LYS 33 1HZ LYS 33 8.091 1.154 1.154 293 2HZ LYS 33 2HZ LYS 33 9.231 2.384 2.384 294 3HZ LYS 33 3HZ LYS 33 8.705 1.574 1.574 295 H ASN 34 H ASN 34 10.421 1.885 1.885 296 HA ASN 34 HA ASN 34 12.648 3.802 3.802 297 1HB ASN 34 1HB ASN 34 9.851 4.246 4.246 298 2HB ASN 34 2HB ASN 34 11.089 5.371 5.371 299 1HD2 ASN 34 1HD2 ASN 34 9.371 5.828 5.828 300 2HD2 ASN 34 2HD2 ASN 34 9.087 4.268 4.268 301 H ASN 35 H ASN 35 12.443 1.352 1.352 302 HA ASN 35 HA ASN 35 12.987 0.855 0.855 303 1HB ASN 35 1HB ASN 35 15.242 1.284 1.284 304 2HB ASN 35 2HB ASN 35 15.036 3.018 3.018 305 1HD2 ASN 35 1HD2 ASN 35 15.409 1.921 1.921 306 2HD2 ASN 35 2HD2 ASN 35 13.941 1.349 1.349 307 H TRP 36 H TRP 36 11.088 1.465 1.465 308 HA TRP 36 HA TRP 36 11.202 4.146 4.146 309 1HB TRP 36 1HB TRP 36 8.920 2.841 2.841 310 2HB TRP 36 2HB TRP 36 8.525 3.994 3.994 311 HD1 TRP 36 HD1 TRP 36 11.480 5.668 5.668 312 HE1 TRP 36 HE1 TRP 36 11.192 7.493 7.493 313 HE3 TRP 36 HE3 TRP 36 7.092 3.860 3.860 314 HZ2 TRP 36 HZ2 TRP 36 9.150 7.956 7.956 315 HZ3 TRP 36 HZ3 TRP 36 6.110 4.915 4.915 316 HH2 TRP 36 HH2 TRP 36 7.071 6.982 6.982 317 H GLU 37 H GLU 37 9.326 4.153 4.153 318 HA GLU 37 HA GLU 37 10.007 1.675 1.675 319 1HB GLU 37 1HB GLU 37 10.873 3.808 3.808 320 2HB GLU 37 2HB GLU 37 9.318 4.593 4.593 321 1HG GLU 37 1HG GLU 37 8.364 3.226 3.226 322 2HG GLU 37 2HG GLU 37 9.803 2.243 2.243 323 H CYS 38 H CYS 38 8.208 0.980 0.980 324 HA CYS 38 HA CYS 38 5.507 1.676 1.676 325 1HB CYS 38 1HB CYS 38 6.497 -0.088 -0.088 326 2HB CYS 38 2HB CYS 38 6.510 -1.255 -1.255 327 H ARG 39 H ARG 39 4.550 2.146 2.146 328 HA ARG 39 HA ARG 39 4.436 0.127 0.127 329 1HB ARG 39 1HB ARG 39 4.730 2.430 2.430 330 2HB ARG 39 2HB ARG 39 3.585 3.066 3.066 331 1HG ARG 39 1HG ARG 39 1.831 2.913 2.913 332 2HG ARG 39 2HG ARG 39 2.198 1.240 1.240 333 1HD ARG 39 1HD ARG 39 3.988 3.522 3.522 334 2HD ARG 39 2HD ARG 39 2.453 3.138 3.138 335 HE ARG 39 HE ARG 39 4.843 1.293 1.293 336 1HH1 ARG 39 1HH1 ARG 39 1.728 1.835 1.835 337 2HH1 ARG 39 2HH1 ARG 39 1.953 0.447 0.447 338 1HH2 ARG 39 1HH2 ARG 39 5.012 -0.189 -0.189 339 2HH2 ARG 39 2HH2 ARG 39 3.735 -0.657 -0.657 340 H TYR 40 H TYR 40 2.304 -0.474 -0.474 341 HA TYR 40 HA TYR 40 0.243 -0.602 -0.602 342 1HB TYR 40 1HB TYR 40 1.641 -2.889 -2.889 343 2HB TYR 40 2HB TYR 40 -0.082 -3.087 -3.087 344 HD1 TYR 40 HD1 TYR 40 3.046 -2.724 -2.724 345 HD2 TYR 40 HD2 TYR 40 -1.156 -3.634 -3.634 346 HE1 TYR 40 HE1 TYR 40 3.137 -3.076 -3.076 347 HE2 TYR 40 HE2 TYR 40 -1.010 -4.144 -4.144 348 HH TYR 40 HH TYR 40 1.336 -2.687 -2.687 349 H SER 41 H SER 41 -1.691 -0.199 -0.199 350 HA SER 41 HA SER 41 -2.343 1.079 1.079 351 1HB SER 41 1HB SER 41 -3.934 0.095 0.095 352 2HB SER 41 2HB SER 41 -4.879 0.332 0.332 353 HG SER 41 HG SER 41 -3.312 2.450 2.450 354 HA PRO 42 HA PRO 42 -4.529 -3.102 -3.102 355 1HB PRO 42 1HB PRO 42 -2.635 -5.082 -5.082 356 2HB PRO 42 2HB PRO 42 -4.523 -5.069 -5.069 357 1HG PRO 42 1HG PRO 42 -3.036 -4.439 -4.439 358 2HG PRO 42 2HG PRO 42 -4.681 -3.680 -3.680 359 1HD PRO 42 1HD PRO 42 -1.698 -2.910 -2.910 360 2HD PRO 42 2HD PRO 42 -3.052 -1.901 -1.901 361 H LYS 43 H LYS 43 -2.525 -5.522 -5.522 362 HA LYS 43 HA LYS 43 -0.562 -4.589 -4.589 363 1HB LYS 43 1HB LYS 43 -1.991 -3.155 -3.155 364 2HB LYS 43 2HB LYS 43 -3.414 -4.158 -4.158 365 1HG LYS 43 1HG LYS 43 -2.631 -5.811 -5.811 366 2HG LYS 43 2HG LYS 43 -1.049 -5.042 -5.042 367 1HD LYS 43 1HD LYS 43 -3.275 -3.149 -3.149 368 2HD LYS 43 2HD LYS 43 -3.354 -4.598 -4.598 369 1HE LYS 43 1HE LYS 43 -0.582 -3.376 -3.376 370 2HE LYS 43 2HE LYS 43 -1.702 -2.459 -2.459 371 1HZ LYS 43 1HZ LYS 43 -2.136 -4.537 -4.537 372 2HZ LYS 43 2HZ LYS 43 -0.942 -5.312 -5.312 373 3HZ LYS 43 3HZ LYS 43 -0.539 -4.016 -4.016 Start of MODEL 21 1 1H MET 1 1H MET 1 -22.504 -2.874 -2.874 2 2H MET 1 2H MET 1 -21.972 -1.409 -1.409 3 3H MET 1 3H MET 1 -21.053 -2.206 -2.206 4 HA MET 1 HA MET 1 -20.020 -2.508 -2.508 5 1HB MET 1 1HB MET 1 -21.345 -3.742 -3.742 6 2HB MET 1 2HB MET 1 -21.866 -2.092 -2.092 7 1HG MET 1 1HG MET 1 -23.886 -2.839 -2.839 8 2HG MET 1 2HG MET 1 -23.308 -4.517 -4.517 9 1HE MET 1 1HE MET 1 -23.739 -1.455 -1.455 10 2HE MET 1 2HE MET 1 -24.000 -2.239 -2.239 11 3HE MET 1 3HE MET 1 -22.414 -2.381 -2.381 12 H LYS 2 H LYS 2 -19.031 -3.624 -3.624 13 HA LYS 2 HA LYS 2 -19.206 -6.577 -6.577 14 1HB LYS 2 1HB LYS 2 -18.894 -7.083 -7.083 15 2HB LYS 2 2HB LYS 2 -20.513 -6.690 -6.690 16 1HG LYS 2 1HG LYS 2 -20.198 -4.279 -4.279 17 2HG LYS 2 2HG LYS 2 -18.552 -4.654 -4.654 18 1HD LYS 2 1HD LYS 2 -21.178 -5.815 -5.815 19 2HD LYS 2 2HD LYS 2 -20.157 -4.584 -4.584 20 1HE LYS 2 1HE LYS 2 -18.243 -6.167 -6.167 21 2HE LYS 2 2HE LYS 2 -19.082 -7.404 -7.404 22 1HZ LYS 2 1HZ LYS 2 -20.878 -6.755 -6.755 23 2HZ LYS 2 2HZ LYS 2 -19.397 -6.739 -6.739 24 3HZ LYS 2 3HZ LYS 2 -19.885 -8.112 -8.112 25 H LEU 3 H LEU 3 -17.405 -6.113 -6.113 26 HA LEU 3 HA LEU 3 -15.071 -6.509 -6.509 27 1HB LEU 3 1HB LEU 3 -15.698 -7.760 -7.760 28 2HB LEU 3 2HB LEU 3 -14.499 -6.599 -6.599 29 HG LEU 3 HG LEU 3 -13.874 -9.107 -9.107 30 1HD1 LEU 3 1HD1 LEU 3 -12.417 -6.975 -6.975 31 2HD1 LEU 3 2HD1 LEU 3 -11.879 -6.973 -6.973 32 3HD1 LEU 3 3HD1 LEU 3 -11.619 -8.410 -8.410 33 1HD2 LEU 3 1HD2 LEU 3 -14.683 -8.416 -8.416 34 2HD2 LEU 3 2HD2 LEU 3 -13.251 -9.447 -9.447 35 3HD2 LEU 3 3HD2 LEU 3 -13.038 -7.727 -7.727 36 H LEU 4 H LEU 4 -15.056 -4.444 -4.444 37 HA LEU 4 HA LEU 4 -13.027 -2.769 -2.769 38 1HB LEU 4 1HB LEU 4 -15.708 -2.317 -2.317 39 2HB LEU 4 2HB LEU 4 -15.458 -1.061 -1.061 40 HG LEU 4 HG LEU 4 -13.749 -1.532 -1.532 41 1HD1 LEU 4 1HD1 LEU 4 -16.052 0.347 0.347 42 2HD1 LEU 4 2HD1 LEU 4 -14.786 0.936 0.936 43 3HD1 LEU 4 3HD1 LEU 4 -15.721 -0.524 -0.524 44 1HD2 LEU 4 1HD2 LEU 4 -12.320 -0.560 -0.560 45 2HD2 LEU 4 2HD2 LEU 4 -12.599 0.625 0.625 46 3HD2 LEU 4 3HD2 LEU 4 -13.499 0.764 0.764 47 H SER 5 H SER 5 -15.751 -2.693 -2.693 48 HA SER 5 HA SER 5 -15.633 -2.372 -2.372 49 1HB SER 5 1HB SER 5 -13.729 -3.038 -3.038 50 2HB SER 5 2HB SER 5 -13.153 -3.513 -3.513 51 HG SER 5 HG SER 5 -11.580 -2.205 -2.205 52 H SER 6 H SER 6 -15.449 -0.781 -0.781 53 HA SER 6 HA SER 6 -14.564 1.911 1.911 54 1HB SER 6 1HB SER 6 -17.148 1.506 1.506 55 2HB SER 6 2HB SER 6 -17.063 1.577 1.577 56 HG SER 6 HG SER 6 -16.650 3.591 3.591 57 H ILE 7 H ILE 7 -13.149 0.077 0.077 58 HA ILE 7 HA ILE 7 -11.983 1.750 1.750 59 HB ILE 7 HB ILE 7 -14.654 0.998 0.998 60 1HG1 ILE 7 1HG1 ILE 7 -14.199 3.272 3.272 61 2HG1 ILE 7 2HG1 ILE 7 -13.981 2.571 2.571 62 1HG2 ILE 7 1HG2 ILE 7 -12.352 -0.104 -0.104 63 2HG2 ILE 7 2HG2 ILE 7 -13.843 0.504 0.504 64 3HG2 ILE 7 3HG2 ILE 7 -13.880 -0.852 -0.852 65 1HD1 ILE 7 1HD1 ILE 7 -11.375 2.410 2.410 66 2HD1 ILE 7 2HD1 ILE 7 -11.808 3.666 3.666 67 3HD1 ILE 7 3HD1 ILE 7 -12.094 3.941 3.941 68 H GLU 8 H GLU 8 -10.115 0.504 0.504 69 HA GLU 8 HA GLU 8 -10.163 -2.102 -2.102 70 1HB GLU 8 1HB GLU 8 -9.253 -1.601 -1.601 71 2HB GLU 8 2HB GLU 8 -8.394 -2.785 -2.785 72 1HG GLU 8 1HG GLU 8 -11.461 -2.958 -2.958 73 2HG GLU 8 2HG GLU 8 -10.339 -3.623 -3.623 74 H GLN 9 H GLN 9 -7.414 -2.515 -2.515 75 HA GLN 9 HA GLN 9 -6.333 -0.939 -0.939 76 1HB GLN 9 1HB GLN 9 -6.011 -3.555 -3.555 77 2HB GLN 9 2HB GLN 9 -4.531 -2.799 -2.799 78 1HG GLN 9 1HG GLN 9 -3.772 -2.269 -2.269 79 2HG GLN 9 2HG GLN 9 -5.353 -2.551 -2.551 80 1HE2 GLN 9 1HE2 GLN 9 -4.609 -6.213 -6.213 81 2HE2 GLN 9 2HE2 GLN 9 -5.967 -5.092 -5.092 82 H ALA 10 H ALA 10 -3.971 -0.347 -0.347 83 HA ALA 10 HA ALA 10 -2.641 0.082 0.082 84 1HB ALA 10 1HB ALA 10 -4.508 1.610 1.610 85 2HB ALA 10 2HB ALA 10 -4.255 2.617 2.617 86 3HB ALA 10 3HB ALA 10 -3.018 2.560 2.560 87 H CYS 11 H CYS 11 -0.575 1.021 1.021 88 HA CYS 11 HA CYS 11 0.162 1.060 1.060 89 1HB CYS 11 1HB CYS 11 2.511 1.074 1.074 90 2HB CYS 11 2HB CYS 11 1.529 -0.139 -0.139 91 H ASP 12 H ASP 12 1.921 2.636 2.636 92 HA ASP 12 HA ASP 12 0.649 5.229 5.229 93 1HB ASP 12 1HB ASP 12 2.532 4.236 4.236 94 2HB ASP 12 2HB ASP 12 3.683 4.686 4.686 95 H ILE 13 H ILE 13 3.043 4.005 4.005 96 HA ILE 13 HA ILE 13 3.737 6.630 6.630 97 HB ILE 13 HB ILE 13 4.166 3.737 3.737 98 1HG1 ILE 13 1HG1 ILE 13 5.995 4.528 4.528 99 2HG1 ILE 13 2HG1 ILE 13 6.596 4.670 4.670 100 1HG2 ILE 13 1HG2 ILE 13 3.473 4.942 4.942 101 2HG2 ILE 13 2HG2 ILE 13 4.901 5.985 5.985 102 3HG2 ILE 13 3HG2 ILE 13 5.066 4.231 4.231 103 1HD1 ILE 13 1HD1 ILE 13 5.984 7.143 7.143 104 2HD1 ILE 13 2HD1 ILE 13 5.537 7.015 7.015 105 3HD1 ILE 13 3HD1 ILE 13 7.221 6.731 6.731 106 H CYS 14 H CYS 14 1.235 4.380 4.380 107 HA CYS 14 HA CYS 14 0.696 5.832 5.832 108 1HB CYS 14 1HB CYS 14 -0.498 3.359 3.359 109 2HB CYS 14 2HB CYS 14 -1.441 4.162 4.162 110 H ARG 15 H ARG 15 -0.796 5.574 5.574 111 HA ARG 15 HA ARG 15 -2.919 7.423 7.423 112 1HB ARG 15 1HB ARG 15 -2.983 6.855 6.855 113 2HB ARG 15 2HB ARG 15 -1.288 6.406 6.406 114 1HG ARG 15 1HG ARG 15 -0.837 9.067 9.067 115 2HG ARG 15 2HG ARG 15 -2.544 9.156 9.156 116 1HD ARG 15 1HD ARG 15 -1.248 6.963 6.963 117 2HD ARG 15 2HD ARG 15 -0.329 8.478 8.478 118 HE ARG 15 HE ARG 15 -2.105 9.343 9.343 119 1HH1 ARG 15 1HH1 ARG 15 -3.429 6.841 6.841 120 2HH1 ARG 15 2HH1 ARG 15 -5.103 7.002 7.002 121 1HH2 ARG 15 1HH2 ARG 15 -3.938 9.463 9.463 122 2HH2 ARG 15 2HH2 ARG 15 -5.386 8.429 8.429 123 H LEU 16 H LEU 16 0.436 8.265 8.265 124 HA LEU 16 HA LEU 16 -0.181 11.138 11.138 125 1HB LEU 16 1HB LEU 16 2.499 9.639 9.639 126 2HB LEU 16 2HB LEU 16 2.391 11.365 11.365 127 HG LEU 16 HG LEU 16 2.260 9.113 9.113 128 1HD1 LEU 16 1HD1 LEU 16 3.886 11.114 11.114 129 2HD1 LEU 16 2HD1 LEU 16 2.538 12.145 12.145 130 3HD1 LEU 16 3HD1 LEU 16 3.055 10.798 10.798 131 1HD2 LEU 16 1HD2 LEU 16 -0.220 9.668 9.668 132 2HD2 LEU 16 2HD2 LEU 16 0.485 10.010 10.010 133 3HD2 LEU 16 3HD2 LEU 16 0.148 11.340 11.340 134 H LYS 17 H LYS 17 1.451 9.146 9.146 135 HA LYS 17 HA LYS 17 1.926 11.547 11.547 136 1HB LYS 17 1HB LYS 17 2.526 8.533 8.533 137 2HB LYS 17 2HB LYS 17 2.737 9.569 9.569 138 1HG LYS 17 1HG LYS 17 4.020 10.704 10.704 139 2HG LYS 17 2HG LYS 17 4.639 9.108 9.108 140 1HD LYS 17 1HD LYS 17 4.428 11.358 11.358 141 2HD LYS 17 2HD LYS 17 5.776 11.314 11.314 142 1HE LYS 17 1HE LYS 17 6.519 9.094 9.094 143 2HE LYS 17 2HE LYS 17 5.031 8.811 8.811 144 1HZ LYS 17 1HZ LYS 17 5.835 11.098 11.098 145 2HZ LYS 17 2HZ LYS 17 7.329 10.449 10.449 146 3HZ LYS 17 3HZ LYS 17 6.277 9.578 9.578 147 H LYS 18 H LYS 18 -0.547 9.286 9.286 148 HA LYS 18 HA LYS 18 -2.439 8.715 8.715 149 1HB LYS 18 1HB LYS 18 -1.839 11.506 11.506 150 2HB LYS 18 2HB LYS 18 -2.999 10.466 10.466 151 1HG LYS 18 1HG LYS 18 -4.426 10.325 10.325 152 2HG LYS 18 2HG LYS 18 -3.183 11.094 11.094 153 1HD LYS 18 1HD LYS 18 -4.537 12.496 12.496 154 2HD LYS 18 2HD LYS 18 -5.267 12.477 12.477 155 1HE LYS 18 1HE LYS 18 -3.182 13.500 13.500 156 2HE LYS 18 2HE LYS 18 -2.386 13.501 13.501 157 1HZ LYS 18 1HZ LYS 18 -4.189 14.897 14.897 158 2HZ LYS 18 2HZ LYS 18 -4.902 14.942 14.942 159 3HZ LYS 18 3HZ LYS 18 -3.385 15.628 15.628 160 H LEU 19 H LEU 19 -1.133 7.022 7.022 161 HA LEU 19 HA LEU 19 -0.652 6.929 6.929 162 1HB LEU 19 1HB LEU 19 1.219 5.105 5.105 163 2HB LEU 19 2HB LEU 19 1.550 6.341 6.341 164 HG LEU 19 HG LEU 19 1.239 7.482 7.482 165 1HD1 LEU 19 1HD1 LEU 19 3.341 5.298 5.298 166 2HD1 LEU 19 2HD1 LEU 19 3.567 6.523 6.523 167 3HD1 LEU 19 3HD1 LEU 19 2.207 5.379 5.379 168 1HD2 LEU 19 1HD2 LEU 19 3.150 7.766 7.766 169 2HD2 LEU 19 2HD2 LEU 19 2.318 9.019 9.019 170 3HD2 LEU 19 3HD2 LEU 19 3.747 8.223 8.223 171 H LYS 20 H LYS 20 -0.015 4.509 4.509 172 HA LYS 20 HA LYS 20 -2.576 3.076 3.076 173 1HB LYS 20 1HB LYS 20 -0.364 2.336 2.336 174 2HB LYS 20 2HB LYS 20 -1.864 1.443 1.443 175 1HG LYS 20 1HG LYS 20 -1.737 4.446 4.446 176 2HG LYS 20 2HG LYS 20 -1.840 3.126 3.126 177 1HD LYS 20 1HD LYS 20 -4.026 2.591 2.591 178 2HD LYS 20 2HD LYS 20 -3.918 4.357 4.357 179 1HE LYS 20 1HE LYS 20 -4.404 4.740 4.740 180 2HE LYS 20 2HE LYS 20 -3.573 3.277 3.277 181 1HZ LYS 20 1HZ LYS 20 -5.805 2.630 2.630 182 2HZ LYS 20 2HZ LYS 20 -6.267 3.570 3.570 183 3HZ LYS 20 3HZ LYS 20 -5.443 2.125 2.125 184 H CYS 21 H CYS 21 -2.707 1.002 1.002 185 HA CYS 21 HA CYS 21 -0.179 -0.040 -0.040 186 1HB CYS 21 1HB CYS 21 -1.183 1.740 1.740 187 2HB CYS 21 2HB CYS 21 -2.690 0.817 0.817 188 H SER 22 H SER 22 -0.538 -1.735 -1.735 189 HA SER 22 HA SER 22 -2.761 -3.599 -3.599 190 1HB SER 22 1HB SER 22 -1.187 -5.347 -5.347 191 2HB SER 22 2HB SER 22 -1.396 -3.891 -3.891 192 HG SER 22 HG SER 22 0.849 -4.960 -4.960 193 H LYS 23 H LYS 23 -0.741 -2.799 -2.799 194 HA LYS 23 HA LYS 23 -0.700 -3.743 -3.743 195 1HB LYS 23 1HB LYS 23 -2.712 -5.563 -5.563 196 2HB LYS 23 2HB LYS 23 -2.170 -6.097 -6.097 197 1HG LYS 23 1HG LYS 23 -4.371 -4.450 -4.450 198 2HG LYS 23 2HG LYS 23 -3.487 -4.543 -4.543 199 1HD LYS 23 1HD LYS 23 -2.707 -2.361 -2.361 200 2HD LYS 23 2HD LYS 23 -2.377 -2.551 -2.551 201 1HE LYS 23 1HE LYS 23 -4.606 -1.161 -1.161 202 2HE LYS 23 2HE LYS 23 -4.478 -1.724 -1.724 203 1HZ LYS 23 1HZ LYS 23 -5.491 -3.436 -3.436 204 2HZ LYS 23 2HZ LYS 23 -6.470 -2.526 -2.526 205 3HZ LYS 23 3HZ LYS 23 -5.530 -3.770 -3.770 206 H GLU 24 H GLU 24 0.525 -5.663 -5.663 207 HA GLU 24 HA GLU 24 1.632 -7.876 -7.876 208 1HB GLU 24 1HB GLU 24 3.948 -7.196 -7.196 209 2HB GLU 24 2HB GLU 24 2.575 -7.701 -7.701 210 1HG GLU 24 1HG GLU 24 2.063 -5.131 -5.131 211 2HG GLU 24 2HG GLU 24 3.634 -4.818 -4.818 212 H LYS 25 H LYS 25 3.600 -8.347 -8.347 213 HA LYS 25 HA LYS 25 4.173 -6.303 -6.303 214 1HB LYS 25 1HB LYS 25 3.453 -9.261 -9.261 215 2HB LYS 25 2HB LYS 25 3.686 -8.009 -8.009 216 1HG LYS 25 1HG LYS 25 1.540 -7.010 -7.010 217 2HG LYS 25 2HG LYS 25 1.482 -7.609 -7.609 218 1HD LYS 25 1HD LYS 25 0.260 -9.411 -9.411 219 2HD LYS 25 2HD LYS 25 1.523 -9.885 -9.885 220 1HE LYS 25 1HE LYS 25 0.554 -7.730 -7.730 221 2HE LYS 25 2HE LYS 25 -0.920 -8.091 -8.091 222 1HZ LYS 25 1HZ LYS 25 -0.751 -10.409 -10.409 223 2HZ LYS 25 2HZ LYS 25 0.614 -10.041 -10.041 224 3HZ LYS 25 3HZ LYS 25 -0.867 -9.345 -9.345 225 HA PRO 26 HA PRO 26 5.249 -6.481 -6.481 226 1HB PRO 26 1HB PRO 26 7.508 -4.985 -4.985 227 2HB PRO 26 2HB PRO 26 7.328 -6.766 -6.766 228 1HG PRO 26 1HG PRO 26 8.523 -5.882 -5.882 229 2HG PRO 26 2HG PRO 26 9.342 -6.706 -6.706 230 1HD PRO 26 1HD PRO 26 8.292 -7.990 -7.990 231 2HD PRO 26 2HD PRO 26 7.868 -8.620 -8.620 232 H LYS 27 H LYS 27 7.319 -5.187 -5.187 233 HA LYS 27 HA LYS 27 5.571 -2.686 -2.686 234 1HB LYS 27 1HB LYS 27 7.789 -2.455 -2.455 235 2HB LYS 27 2HB LYS 27 7.492 -1.500 -1.500 236 1HG LYS 27 1HG LYS 27 9.267 -2.525 -2.525 237 2HG LYS 27 2HG LYS 27 8.483 -4.095 -4.095 238 1HD LYS 27 1HD LYS 27 9.545 -3.742 -3.742 239 2HD LYS 27 2HD LYS 27 10.696 -2.796 -2.796 240 1HE LYS 27 1HE LYS 27 9.959 -5.413 -5.413 241 2HE LYS 27 2HE LYS 27 10.761 -5.627 -5.627 242 1HZ LYS 27 1HZ LYS 27 11.797 -3.799 -3.799 243 2HZ LYS 27 2HZ LYS 27 12.283 -5.399 -5.399 244 3HZ LYS 27 3HZ LYS 27 12.576 -4.290 -4.290 245 H CYS 28 H CYS 28 4.304 -2.107 -2.107 246 HA CYS 28 HA CYS 28 3.524 -3.942 -3.942 247 1HB CYS 28 1HB CYS 28 2.745 -1.731 -1.731 248 2HB CYS 28 2HB CYS 28 1.992 -2.178 -2.178 249 H ALA 29 H ALA 29 3.585 -3.051 -3.051 250 HA ALA 29 HA ALA 29 6.333 -3.393 -3.393 251 1HB ALA 29 1HB ALA 29 4.208 -3.823 -3.823 252 2HB ALA 29 2HB ALA 29 3.816 -2.087 -2.087 253 3HB ALA 29 3HB ALA 29 5.249 -2.659 -2.659 254 H LYS 30 H LYS 30 4.263 -0.632 -0.632 255 HA LYS 30 HA LYS 30 5.854 1.552 1.552 256 1HB LYS 30 1HB LYS 30 3.601 1.141 1.141 257 2HB LYS 30 2HB LYS 30 4.766 1.714 1.714 258 1HG LYS 30 1HG LYS 30 3.135 3.324 3.324 259 2HG LYS 30 2HG LYS 30 4.416 3.890 3.890 260 1HD LYS 30 1HD LYS 30 5.757 4.424 4.424 261 2HD LYS 30 2HD LYS 30 5.449 2.884 2.884 262 1HE LYS 30 1HE LYS 30 3.116 3.711 3.711 263 2HE LYS 30 2HE LYS 30 3.460 5.277 5.277 264 1HZ LYS 30 1HZ LYS 30 5.628 4.609 4.609 265 2HZ LYS 30 2HZ LYS 30 4.205 4.404 4.404 266 3HZ LYS 30 3HZ LYS 30 4.538 5.882 5.882 267 H CYS 31 H CYS 31 5.927 0.510 0.510 268 HA CYS 31 HA CYS 31 8.201 2.236 2.236 269 1HB CYS 31 1HB CYS 31 7.214 -0.218 -0.218 270 2HB CYS 31 2HB CYS 31 8.238 1.070 1.070 271 H LEU 32 H LEU 32 8.022 -1.139 -1.139 272 HA LEU 32 HA LEU 32 10.885 -1.678 -1.678 273 1HB LEU 32 1HB LEU 32 8.918 -3.384 -3.384 274 2HB LEU 32 2HB LEU 32 9.177 -2.934 -2.934 275 HG LEU 32 HG LEU 32 11.525 -4.017 -4.017 276 1HD1 LEU 32 1HD1 LEU 32 9.615 -5.589 -5.589 277 2HD1 LEU 32 2HD1 LEU 32 9.323 -5.763 -5.763 278 3HD1 LEU 32 3HD1 LEU 32 10.840 -6.353 -6.353 279 1HD2 LEU 32 1HD2 LEU 32 10.749 -4.232 -4.232 280 2HD2 LEU 32 2HD2 LEU 32 12.052 -3.238 -3.238 281 3HD2 LEU 32 3HD2 LEU 32 12.179 -4.999 -4.999 282 H LYS 33 H LYS 33 9.145 -0.210 -0.210 283 HA LYS 33 HA LYS 33 11.503 -0.312 -0.312 284 1HB LYS 33 1HB LYS 33 8.811 1.230 1.230 285 2HB LYS 33 2HB LYS 33 10.039 1.440 1.440 286 1HG LYS 33 1HG LYS 33 9.916 -1.294 -1.294 287 2HG LYS 33 2HG LYS 33 8.347 -1.043 -1.043 288 1HD LYS 33 1HD LYS 33 7.464 -0.023 -0.023 289 2HD LYS 33 2HD LYS 33 9.042 0.592 0.592 290 1HE LYS 33 1HE LYS 33 8.281 -1.389 -1.389 291 2HE LYS 33 2HE LYS 33 9.826 -1.708 -1.708 292 1HZ LYS 33 1HZ LYS 33 7.455 -2.394 -2.394 293 2HZ LYS 33 2HZ LYS 33 7.735 -3.325 -3.325 294 3HZ LYS 33 3HZ LYS 33 8.911 -3.215 -3.215 295 H ASN 34 H ASN 34 10.274 1.798 1.798 296 HA ASN 34 HA ASN 34 12.557 3.735 3.735 297 1HB ASN 34 1HB ASN 34 9.630 4.193 4.193 298 2HB ASN 34 2HB ASN 34 10.820 5.408 5.408 299 1HD2 ASN 34 1HD2 ASN 34 9.246 5.328 5.328 300 2HD2 ASN 34 2HD2 ASN 34 8.918 3.941 3.941 301 H ASN 35 H ASN 35 12.473 1.398 1.398 302 HA ASN 35 HA ASN 35 13.214 0.973 0.973 303 1HB ASN 35 1HB ASN 35 15.399 1.946 1.946 304 2HB ASN 35 2HB ASN 35 15.150 1.657 1.657 305 1HD2 ASN 35 1HD2 ASN 35 15.310 5.612 5.612 306 2HD2 ASN 35 2HD2 ASN 35 14.000 4.784 4.784 307 H TRP 36 H TRP 36 11.087 1.563 1.563 308 HA TRP 36 HA TRP 36 11.074 4.142 4.142 309 1HB TRP 36 1HB TRP 36 8.875 2.767 2.767 310 2HB TRP 36 2HB TRP 36 8.422 3.880 3.880 311 HD1 TRP 36 HD1 TRP 36 11.261 5.746 5.746 312 HE1 TRP 36 HE1 TRP 36 10.869 7.543 7.543 313 HE3 TRP 36 HE3 TRP 36 6.986 3.680 3.680 314 HZ2 TRP 36 HZ2 TRP 36 8.788 7.900 7.900 315 HZ3 TRP 36 HZ3 TRP 36 5.886 4.726 4.726 316 HH2 TRP 36 HH2 TRP 36 6.758 6.812 6.812 317 H GLU 37 H GLU 37 9.203 4.016 4.016 318 HA GLU 37 HA GLU 37 9.795 1.422 1.422 319 1HB GLU 37 1HB GLU 37 10.636 3.726 3.726 320 2HB GLU 37 2HB GLU 37 8.969 4.191 4.191 321 1HG GLU 37 1HG GLU 37 10.092 3.460 3.460 322 2HG GLU 37 2HG GLU 37 8.664 2.514 2.514 323 H CYS 38 H CYS 38 7.995 0.931 0.931 324 HA CYS 38 HA CYS 38 5.276 1.424 1.424 325 1HB CYS 38 1HB CYS 38 6.383 -0.332 -0.332 326 2HB CYS 38 2HB CYS 38 6.369 -1.479 -1.479 327 H ARG 39 H ARG 39 4.754 2.054 2.054 328 HA ARG 39 HA ARG 39 4.321 -0.295 -0.295 329 1HB ARG 39 1HB ARG 39 5.795 1.957 1.957 330 2HB ARG 39 2HB ARG 39 4.215 2.635 2.635 331 1HG ARG 39 1HG ARG 39 4.127 0.182 0.182 332 2HG ARG 39 2HG ARG 39 5.831 0.613 0.613 333 1HD ARG 39 1HD ARG 39 4.309 1.529 1.529 334 2HD ARG 39 2HD ARG 39 5.334 2.741 2.741 335 HE ARG 39 HE ARG 39 2.488 2.214 2.214 336 1HH1 ARG 39 1HH1 ARG 39 4.806 4.496 4.496 337 2HH1 ARG 39 2HH1 ARG 39 3.688 5.926 5.926 338 1HH2 ARG 39 1HH2 ARG 39 1.335 3.808 3.808 339 2HH2 ARG 39 2HH2 ARG 39 1.798 5.559 5.559 340 H TYR 40 H TYR 40 2.470 -0.983 -0.983 341 HA TYR 40 HA TYR 40 0.128 0.961 0.961 342 1HB TYR 40 1HB TYR 40 -1.165 -1.389 -1.389 343 2HB TYR 40 2HB TYR 40 -0.709 -0.157 -0.157 344 HD1 TYR 40 HD1 TYR 40 1.417 -2.944 -2.944 345 HD2 TYR 40 HD2 TYR 40 -0.127 -1.109 -1.109 346 HE1 TYR 40 HE1 TYR 40 1.860 -5.006 -5.006 347 HE2 TYR 40 HE2 TYR 40 0.089 -3.249 -3.249 348 HH TYR 40 HH TYR 40 -0.246 -5.537 -5.537 349 H SER 41 H SER 41 -1.024 1.019 1.019 350 HA SER 41 HA SER 41 -0.173 -0.819 -0.819 351 1HB SER 41 1HB SER 41 -1.308 1.976 1.976 352 2HB SER 41 2HB SER 41 -1.800 1.086 1.086 353 HG SER 41 HG SER 41 0.489 2.326 2.326 354 HA PRO 42 HA PRO 42 -3.984 -3.217 -3.217 355 1HB PRO 42 1HB PRO 42 -3.289 -4.994 -4.994 356 2HB PRO 42 2HB PRO 42 -2.685 -5.123 -5.123 357 1HG PRO 42 1HG PRO 42 -1.276 -3.707 -3.707 358 2HG PRO 42 2HG PRO 42 -0.711 -5.087 -5.087 359 1HD PRO 42 1HD PRO 42 -0.178 -2.382 -2.382 360 2HD PRO 42 2HD PRO 42 -0.599 -3.371 -3.371 361 H LYS 43 H LYS 43 -2.785 -3.416 -3.416 362 HA LYS 43 HA LYS 43 -5.661 -2.815 -2.815 363 1HB LYS 43 1HB LYS 43 -4.006 -4.933 -4.933 364 2HB LYS 43 2HB LYS 43 -3.594 -3.813 -3.813 365 1HG LYS 43 1HG LYS 43 -6.574 -4.233 -4.233 366 2HG LYS 43 2HG LYS 43 -5.699 -5.575 -5.575 367 1HD LYS 43 1HD LYS 43 -6.004 -2.698 -2.698 368 2HD LYS 43 2HD LYS 43 -6.828 -4.147 -4.147 369 1HE LYS 43 1HE LYS 43 -4.363 -5.154 -5.154 370 2HE LYS 43 2HE LYS 43 -3.818 -3.473 -3.473 371 1HZ LYS 43 1HZ LYS 43 -6.084 -4.075 -4.075 372 2HZ LYS 43 2HZ LYS 43 -4.530 -4.486 -4.486 373 3HZ LYS 43 3HZ LYS 43 -4.900 -2.887 -2.887 Start of MODEL 22 1 1H MET 1 1H MET 1 -11.987 -10.471 -10.471 2 2H MET 1 2H MET 1 -11.181 -11.717 -11.717 3 3H MET 1 3H MET 1 -12.302 -12.071 -12.071 4 HA MET 1 HA MET 1 -14.091 -11.684 -11.684 5 1HB MET 1 1HB MET 1 -11.999 -12.323 -12.323 6 2HB MET 1 2HB MET 1 -13.705 -12.740 -12.740 7 1HG MET 1 1HG MET 1 -11.501 -14.038 -14.038 8 2HG MET 1 2HG MET 1 -12.569 -14.782 -14.782 9 1HE MET 1 1HE MET 1 -12.066 -16.151 -16.151 10 2HE MET 1 2HE MET 1 -13.706 -16.794 -16.794 11 3HE MET 1 3HE MET 1 -13.277 -16.234 -16.234 12 H LYS 2 H LYS 2 -11.351 -9.760 -9.760 13 HA LYS 2 HA LYS 2 -11.517 -7.853 -7.853 14 1HB LYS 2 1HB LYS 2 -12.650 -6.983 -6.983 15 2HB LYS 2 2HB LYS 2 -11.726 -5.980 -5.980 16 1HG LYS 2 1HG LYS 2 -9.655 -7.267 -7.267 17 2HG LYS 2 2HG LYS 2 -10.538 -8.574 -8.574 18 1HD LYS 2 1HD LYS 2 -9.813 -7.513 -7.513 19 2HD LYS 2 2HD LYS 2 -11.201 -6.440 -6.440 20 1HE LYS 2 1HE LYS 2 -9.740 -4.897 -4.897 21 2HE LYS 2 2HE LYS 2 -8.337 -5.926 -5.926 22 1HZ LYS 2 1HZ LYS 2 -9.026 -5.588 -5.588 23 2HZ LYS 2 2HZ LYS 2 -9.860 -4.248 -4.248 24 3HZ LYS 2 3HZ LYS 2 -8.198 -4.369 -4.369 25 H LEU 3 H LEU 3 -14.338 -7.546 -7.546 26 HA LEU 3 HA LEU 3 -15.670 -5.547 -5.547 27 1HB LEU 3 1HB LEU 3 -17.888 -7.230 -7.230 28 2HB LEU 3 2HB LEU 3 -17.227 -5.983 -5.983 29 HG LEU 3 HG LEU 3 -15.692 -8.124 -8.124 30 1HD1 LEU 3 1HD1 LEU 3 -17.361 -9.475 -9.475 31 2HD1 LEU 3 2HD1 LEU 3 -18.349 -9.529 -9.529 32 3HD1 LEU 3 3HD1 LEU 3 -16.707 -10.198 -10.198 33 1HD2 LEU 3 1HD2 LEU 3 -17.376 -6.473 -6.473 34 2HD2 LEU 3 2HD2 LEU 3 -17.032 -8.070 -8.070 35 3HD2 LEU 3 3HD2 LEU 3 -18.540 -7.789 -7.789 36 H LEU 4 H LEU 4 -16.296 -8.967 -8.967 37 HA LEU 4 HA LEU 4 -17.669 -8.187 -8.187 38 1HB LEU 4 1HB LEU 4 -17.376 -10.582 -10.582 39 2HB LEU 4 2HB LEU 4 -16.521 -10.944 -10.944 40 HG LEU 4 HG LEU 4 -18.668 -10.238 -10.238 41 1HD1 LEU 4 1HD1 LEU 4 -19.707 -10.198 -10.198 42 2HD1 LEU 4 2HD1 LEU 4 -20.796 -10.548 -10.548 43 3HD1 LEU 4 3HD1 LEU 4 -19.950 -8.983 -8.983 44 1HD2 LEU 4 1HD2 LEU 4 -18.450 -12.738 -12.738 45 2HD2 LEU 4 2HD2 LEU 4 -18.365 -12.605 -12.605 46 3HD2 LEU 4 3HD2 LEU 4 -19.925 -12.459 -12.459 47 H SER 5 H SER 5 -14.484 -9.521 -9.521 48 HA SER 5 HA SER 5 -13.539 -9.203 -9.203 49 1HB SER 5 1HB SER 5 -12.564 -10.569 -10.569 50 2HB SER 5 2HB SER 5 -11.523 -9.159 -9.159 51 HG SER 5 HG SER 5 -10.496 -10.539 -10.539 52 H SER 6 H SER 6 -11.034 -7.924 -7.924 53 HA SER 6 HA SER 6 -11.908 -5.240 -5.240 54 1HB SER 6 1HB SER 6 -9.745 -5.021 -5.021 55 2HB SER 6 2HB SER 6 -9.479 -6.678 -6.678 56 HG SER 6 HG SER 6 -8.219 -5.929 -5.929 57 H ILE 7 H ILE 7 -10.401 -3.421 -3.421 58 HA ILE 7 HA ILE 7 -10.186 -3.515 -3.515 59 HB ILE 7 HB ILE 7 -12.598 -3.693 -3.693 60 1HG1 ILE 7 1HG1 ILE 7 -11.408 -1.866 -1.866 61 2HG1 ILE 7 2HG1 ILE 7 -13.154 -1.988 -1.988 62 1HG2 ILE 7 1HG2 ILE 7 -12.915 -1.419 -1.419 63 2HG2 ILE 7 2HG2 ILE 7 -14.230 -1.822 -1.822 64 3HG2 ILE 7 3HG2 ILE 7 -13.680 -3.027 -3.027 65 1HD1 ILE 7 1HD1 ILE 7 -12.088 0.015 0.015 66 2HD1 ILE 7 2HD1 ILE 7 -11.978 0.433 0.433 67 3HD1 ILE 7 3HD1 ILE 7 -13.552 0.056 0.056 68 H GLU 8 H GLU 8 -10.580 -1.549 -1.549 69 HA GLU 8 HA GLU 8 -8.859 0.531 0.531 70 1HB GLU 8 1HB GLU 8 -9.508 2.099 2.099 71 2HB GLU 8 2HB GLU 8 -10.906 1.504 1.504 72 1HG GLU 8 1HG GLU 8 -11.801 1.068 1.068 73 2HG GLU 8 2HG GLU 8 -10.794 -0.360 -0.360 74 H GLN 9 H GLN 9 -7.813 -1.905 -1.905 75 HA GLN 9 HA GLN 9 -5.853 -1.132 -1.132 76 1HB GLN 9 1HB GLN 9 -6.076 -3.452 -3.452 77 2HB GLN 9 2HB GLN 9 -6.485 -3.533 -3.533 78 1HG GLN 9 1HG GLN 9 -4.192 -3.698 -3.698 79 2HG GLN 9 2HG GLN 9 -3.588 -2.839 -2.839 80 1HE2 GLN 9 1HE2 GLN 9 -3.544 -6.856 -6.856 81 2HE2 GLN 9 2HE2 GLN 9 -3.903 -5.789 -5.789 82 H ALA 10 H ALA 10 -3.841 -0.432 -0.432 83 HA ALA 10 HA ALA 10 -2.375 -0.330 -0.330 84 1HB ALA 10 1HB ALA 10 -4.305 0.964 0.964 85 2HB ALA 10 2HB ALA 10 -4.171 2.181 2.181 86 3HB ALA 10 3HB ALA 10 -2.879 2.017 2.017 87 H CYS 11 H CYS 11 -0.424 0.867 0.867 88 HA CYS 11 HA CYS 11 0.261 1.118 1.118 89 1HB CYS 11 1HB CYS 11 2.618 1.234 1.234 90 2HB CYS 11 2HB CYS 11 1.735 -0.067 -0.067 91 H ASP 12 H ASP 12 1.902 2.848 2.848 92 HA ASP 12 HA ASP 12 0.407 5.366 5.366 93 1HB ASP 12 1HB ASP 12 2.912 4.337 4.337 94 2HB ASP 12 2HB ASP 12 3.203 5.934 5.934 95 H ILE 13 H ILE 13 3.107 4.167 4.167 96 HA ILE 13 HA ILE 13 3.803 6.718 6.718 97 HB ILE 13 HB ILE 13 4.293 3.790 3.790 98 1HG1 ILE 13 1HG1 ILE 13 5.982 4.683 4.683 99 2HG1 ILE 13 2HG1 ILE 13 6.741 4.629 4.629 100 1HG2 ILE 13 1HG2 ILE 13 3.828 4.730 4.730 101 2HG2 ILE 13 2HG2 ILE 13 4.970 6.026 6.026 102 3HG2 ILE 13 3HG2 ILE 13 5.553 4.346 4.346 103 1HD1 ILE 13 1HD1 ILE 13 6.020 7.159 7.159 104 2HD1 ILE 13 2HD1 ILE 13 5.815 7.126 7.126 105 3HD1 ILE 13 3HD1 ILE 13 7.406 6.767 6.767 106 H CYS 14 H CYS 14 1.368 4.428 4.428 107 HA CYS 14 HA CYS 14 0.911 5.821 5.821 108 1HB CYS 14 1HB CYS 14 -0.573 3.517 3.517 109 2HB CYS 14 2HB CYS 14 -1.130 4.195 4.195 110 H ARG 15 H ARG 15 -0.509 5.804 5.804 111 HA ARG 15 HA ARG 15 -2.634 7.638 7.638 112 1HB ARG 15 1HB ARG 15 -2.664 7.299 7.299 113 2HB ARG 15 2HB ARG 15 -1.009 6.721 6.721 114 1HG ARG 15 1HG ARG 15 -0.411 9.401 9.401 115 2HG ARG 15 2HG ARG 15 -2.062 9.554 9.554 116 1HD ARG 15 1HD ARG 15 0.209 7.885 7.885 117 2HD ARG 15 2HD ARG 15 -0.484 9.401 9.401 118 HE ARG 15 HE ARG 15 -2.285 6.995 6.995 119 1HH1 ARG 15 1HH1 ARG 15 -0.906 9.284 9.284 120 2HH1 ARG 15 2HH1 ARG 15 -2.018 8.745 8.745 121 1HH2 ARG 15 1HH2 ARG 15 -3.451 6.463 6.463 122 2HH2 ARG 15 2HH2 ARG 15 -3.402 7.213 7.213 123 H LEU 16 H LEU 16 0.759 8.510 8.510 124 HA LEU 16 HA LEU 16 0.144 11.403 11.403 125 1HB LEU 16 1HB LEU 16 2.770 9.784 9.784 126 2HB LEU 16 2HB LEU 16 2.773 11.534 11.534 127 HG LEU 16 HG LEU 16 3.203 11.088 11.088 128 1HD1 LEU 16 1HD1 LEU 16 1.264 12.760 12.760 129 2HD1 LEU 16 2HD1 LEU 16 0.128 11.453 11.453 130 3HD1 LEU 16 3HD1 LEU 16 1.290 11.974 11.974 131 1HD2 LEU 16 1HD2 LEU 16 2.604 8.619 8.619 132 2HD2 LEU 16 2HD2 LEU 16 2.016 9.384 9.384 133 3HD2 LEU 16 3HD2 LEU 16 0.889 9.040 9.040 134 H LYS 17 H LYS 17 1.799 9.149 9.149 135 HA LYS 17 HA LYS 17 2.296 11.235 11.235 136 1HB LYS 17 1HB LYS 17 2.467 8.140 8.140 137 2HB LYS 17 2HB LYS 17 2.828 9.085 9.085 138 1HG LYS 17 1HG LYS 17 4.453 10.400 10.400 139 2HG LYS 17 2HG LYS 17 4.419 8.783 8.783 140 1HD LYS 17 1HD LYS 17 5.551 7.853 7.853 141 2HD LYS 17 2HD LYS 17 5.034 9.161 9.161 142 1HE LYS 17 1HE LYS 17 6.461 10.472 10.472 143 2HE LYS 17 2HE LYS 17 7.450 9.068 9.068 144 1HZ LYS 17 1HZ LYS 17 6.945 9.813 9.813 145 2HZ LYS 17 2HZ LYS 17 6.604 11.304 11.304 146 3HZ LYS 17 3HZ LYS 17 8.126 10.611 10.611 147 H LYS 18 H LYS 18 -0.365 9.368 9.368 148 HA LYS 18 HA LYS 18 -2.524 9.211 9.211 149 1HB LYS 18 1HB LYS 18 -1.533 11.381 11.381 150 2HB LYS 18 2HB LYS 18 -3.186 10.844 10.844 151 1HG LYS 18 1HG LYS 18 -2.797 11.580 11.580 152 2HG LYS 18 2HG LYS 18 -1.286 12.301 12.301 153 1HD LYS 18 1HD LYS 18 -4.057 13.305 13.305 154 2HD LYS 18 2HD LYS 18 -2.536 14.197 14.197 155 1HE LYS 18 1HE LYS 18 -2.408 13.163 13.163 156 2HE LYS 18 2HE LYS 18 -4.086 12.644 12.644 157 1HZ LYS 18 1HZ LYS 18 -4.670 14.960 14.960 158 2HZ LYS 18 2HZ LYS 18 -3.088 15.438 15.438 159 3HZ LYS 18 3HZ LYS 18 -4.030 14.792 14.792 160 H LEU 19 H LEU 19 -0.669 7.422 7.422 161 HA LEU 19 HA LEU 19 -1.545 6.709 6.709 162 1HB LEU 19 1HB LEU 19 0.162 4.832 4.832 163 2HB LEU 19 2HB LEU 19 0.084 4.945 4.945 164 HG LEU 19 HG LEU 19 2.102 5.927 5.927 165 1HD1 LEU 19 1HD1 LEU 19 0.477 7.970 7.970 166 2HD1 LEU 19 2HD1 LEU 19 0.857 8.400 8.400 167 3HD1 LEU 19 3HD1 LEU 19 2.153 8.341 8.341 168 1HD2 LEU 19 1HD2 LEU 19 2.463 5.207 5.207 169 2HD2 LEU 19 2HD2 LEU 19 3.187 6.804 6.804 170 3HD2 LEU 19 3HD2 LEU 19 1.662 6.700 6.700 171 H LYS 20 H LYS 20 -1.803 4.221 4.221 172 HA LYS 20 HA LYS 20 -4.101 3.499 3.499 173 1HB LYS 20 1HB LYS 20 -4.208 1.396 1.396 174 2HB LYS 20 2HB LYS 20 -4.526 2.920 2.920 175 1HG LYS 20 1HG LYS 20 -1.614 2.325 2.325 176 2HG LYS 20 2HG LYS 20 -2.525 0.930 0.930 177 1HD LYS 20 1HD LYS 20 -3.490 2.236 2.236 178 2HD LYS 20 2HD LYS 20 -3.063 3.777 3.777 179 1HE LYS 20 1HE LYS 20 -0.985 1.687 1.687 180 2HE LYS 20 2HE LYS 20 -1.422 3.150 3.150 181 1HZ LYS 20 1HZ LYS 20 -0.596 3.395 3.395 182 2HZ LYS 20 2HZ LYS 20 0.566 3.191 3.191 183 3HZ LYS 20 3HZ LYS 20 -0.476 4.511 4.511 184 H CYS 21 H CYS 21 -3.700 0.696 0.696 185 HA CYS 21 HA CYS 21 -0.925 0.034 0.034 186 1HB CYS 21 1HB CYS 21 -1.871 1.471 1.471 187 2HB CYS 21 2HB CYS 21 -2.874 0.070 0.070 188 H SER 22 H SER 22 -1.424 -1.505 -1.505 189 HA SER 22 HA SER 22 -3.079 -3.759 -3.759 190 1HB SER 22 1HB SER 22 -0.911 -5.159 -5.159 191 2HB SER 22 2HB SER 22 -1.539 -3.965 -3.965 192 HG SER 22 HG SER 22 0.086 -2.573 -2.573 193 H LYS 23 H LYS 23 -0.333 -3.118 -3.118 194 HA LYS 23 HA LYS 23 -0.342 -3.629 -3.629 195 1HB LYS 23 1HB LYS 23 -2.536 -5.767 -5.767 196 2HB LYS 23 2HB LYS 23 -2.034 -5.161 -5.161 197 1HG LYS 23 1HG LYS 23 -3.520 -3.390 -3.390 198 2HG LYS 23 2HG LYS 23 -2.855 -2.871 -2.871 199 1HD LYS 23 1HD LYS 23 -4.396 -4.428 -4.428 200 2HD LYS 23 2HD LYS 23 -4.905 -5.155 -5.155 201 1HE LYS 23 1HE LYS 23 -5.839 -2.950 -2.950 202 2HE LYS 23 2HE LYS 23 -5.287 -2.144 -2.144 203 1HZ LYS 23 1HZ LYS 23 -6.625 -4.030 -4.030 204 2HZ LYS 23 2HZ LYS 23 -7.424 -4.139 -4.139 205 3HZ LYS 23 3HZ LYS 23 -7.421 -2.688 -2.688 206 H GLU 24 H GLU 24 0.640 -5.463 -5.463 207 HA GLU 24 HA GLU 24 1.635 -7.845 -7.845 208 1HB GLU 24 1HB GLU 24 3.962 -7.093 -7.093 209 2HB GLU 24 2HB GLU 24 2.587 -7.588 -7.588 210 1HG GLU 24 1HG GLU 24 2.040 -4.898 -4.898 211 2HG GLU 24 2HG GLU 24 3.742 -4.766 -4.766 212 H LYS 25 H LYS 25 3.584 -8.392 -8.392 213 HA LYS 25 HA LYS 25 4.105 -6.430 -6.430 214 1HB LYS 25 1HB LYS 25 3.091 -9.339 -9.339 215 2HB LYS 25 2HB LYS 25 3.580 -8.289 -8.289 216 1HG LYS 25 1HG LYS 25 1.678 -6.654 -6.654 217 2HG LYS 25 2HG LYS 25 1.171 -7.867 -7.867 218 1HD LYS 25 1HD LYS 25 1.061 -9.451 -9.451 219 2HD LYS 25 2HD LYS 25 1.081 -7.916 -7.916 220 1HE LYS 25 1HE LYS 25 -1.167 -7.640 -7.640 221 2HE LYS 25 2HE LYS 25 -0.795 -7.482 -7.482 222 1HZ LYS 25 1HZ LYS 25 -0.600 -10.125 -10.125 223 2HZ LYS 25 2HZ LYS 25 -1.749 -9.801 -9.801 224 3HZ LYS 25 3HZ LYS 25 -2.026 -9.333 -9.333 225 HA PRO 26 HA PRO 26 5.019 -6.651 -6.651 226 1HB PRO 26 1HB PRO 26 7.297 -5.262 -5.262 227 2HB PRO 26 2HB PRO 26 6.999 -7.044 -7.044 228 1HG PRO 26 1HG PRO 26 8.443 -6.150 -6.150 229 2HG PRO 26 2HG PRO 26 9.098 -7.053 -7.053 230 1HD PRO 26 1HD PRO 26 8.166 -8.208 -8.208 231 2HD PRO 26 2HD PRO 26 7.614 -8.887 -8.887 232 H LYS 27 H LYS 27 7.313 -5.385 -5.385 233 HA LYS 27 HA LYS 27 5.749 -2.751 -2.751 234 1HB LYS 27 1HB LYS 27 8.378 -3.308 -3.308 235 2HB LYS 27 2HB LYS 27 7.691 -1.746 -1.746 236 1HG LYS 27 1HG LYS 27 8.204 -2.077 -2.077 237 2HG LYS 27 2HG LYS 27 8.581 -3.779 -3.779 238 1HD LYS 27 1HD LYS 27 10.252 -1.876 -1.876 239 2HD LYS 27 2HD LYS 27 10.380 -1.623 -1.623 240 1HE LYS 27 1HE LYS 27 10.572 -4.321 -4.321 241 2HE LYS 27 2HE LYS 27 11.049 -4.177 -4.177 242 1HZ LYS 27 1HZ LYS 27 12.347 -2.218 -2.218 243 2HZ LYS 27 2HZ LYS 27 12.674 -3.791 -3.791 244 3HZ LYS 27 3HZ LYS 27 13.001 -3.324 -3.324 245 H CYS 28 H CYS 28 4.527 -2.137 -2.137 246 HA CYS 28 HA CYS 28 3.750 -3.959 -3.959 247 1HB CYS 28 1HB CYS 28 3.162 -1.703 -1.703 248 2HB CYS 28 2HB CYS 28 2.263 -2.139 -2.139 249 H ALA 29 H ALA 29 4.000 -3.195 -3.195 250 HA ALA 29 HA ALA 29 6.730 -3.618 -3.618 251 1HB ALA 29 1HB ALA 29 4.636 -3.740 -3.740 252 2HB ALA 29 2HB ALA 29 4.422 -1.979 -1.979 253 3HB ALA 29 3HB ALA 29 5.829 -2.643 -2.643 254 H LYS 30 H LYS 30 4.913 -0.703 -0.703 255 HA LYS 30 HA LYS 30 6.910 1.092 1.092 256 1HB LYS 30 1HB LYS 30 4.367 1.502 1.502 257 2HB LYS 30 2HB LYS 30 4.879 1.910 1.910 258 1HG LYS 30 1HG LYS 30 5.863 3.944 3.944 259 2HG LYS 30 2HG LYS 30 6.513 3.255 3.255 260 1HD LYS 30 1HD LYS 30 3.757 3.378 3.378 261 2HD LYS 30 2HD LYS 30 3.955 4.748 4.748 262 1HE LYS 30 1HE LYS 30 4.687 5.909 5.909 263 2HE LYS 30 2HE LYS 30 6.235 5.110 5.110 264 1HZ LYS 30 1HZ LYS 30 4.104 3.861 3.861 265 2HZ LYS 30 2HZ LYS 30 5.330 4.823 4.823 266 3HZ LYS 30 3HZ LYS 30 5.710 3.382 3.382 267 H CYS 31 H CYS 31 6.261 0.515 0.515 268 HA CYS 31 HA CYS 31 8.421 2.309 2.309 269 1HB CYS 31 1HB CYS 31 7.406 -0.211 -0.211 270 2HB CYS 31 2HB CYS 31 8.309 1.125 1.125 271 H LEU 32 H LEU 32 8.341 -1.024 -1.024 272 HA LEU 32 HA LEU 32 11.171 -1.543 -1.543 273 1HB LEU 32 1HB LEU 32 9.261 -3.285 -3.285 274 2HB LEU 32 2HB LEU 32 9.569 -2.887 -2.887 275 HG LEU 32 HG LEU 32 10.661 -4.974 -4.974 276 1HD1 LEU 32 1HD1 LEU 32 12.030 -3.291 -3.291 277 2HD1 LEU 32 2HD1 LEU 32 12.949 -2.887 -2.887 278 3HD1 LEU 32 3HD1 LEU 32 13.018 -4.544 -4.544 279 1HD2 LEU 32 1HD2 LEU 32 10.751 -4.693 -4.693 280 2HD2 LEU 32 2HD2 LEU 32 12.280 -5.323 -5.323 281 3HD2 LEU 32 3HD2 LEU 32 12.146 -3.614 -3.614 282 H LYS 33 H LYS 33 9.575 -0.079 -0.079 283 HA LYS 33 HA LYS 33 11.995 -0.277 -0.277 284 1HB LYS 33 1HB LYS 33 9.338 1.316 1.316 285 2HB LYS 33 2HB LYS 33 10.608 1.465 1.465 286 1HG LYS 33 1HG LYS 33 10.198 -1.400 -1.400 287 2HG LYS 33 2HG LYS 33 8.587 -0.687 -0.687 288 1HD LYS 33 1HD LYS 33 9.053 0.335 0.335 289 2HD LYS 33 2HD LYS 33 10.734 -0.228 -0.228 290 1HE LYS 33 1HE LYS 33 9.185 -1.803 -1.803 291 2HE LYS 33 2HE LYS 33 10.056 -2.612 -2.612 292 1HZ LYS 33 1HZ LYS 33 7.366 -1.442 -1.442 293 2HZ LYS 33 2HZ LYS 33 7.582 -3.005 -3.005 294 3HZ LYS 33 3HZ LYS 33 8.177 -2.580 -2.580 295 H ASN 34 H ASN 34 10.770 1.886 1.886 296 HA ASN 34 HA ASN 34 12.863 3.970 3.970 297 1HB ASN 34 1HB ASN 34 10.006 4.158 4.158 298 2HB ASN 34 2HB ASN 34 11.119 5.396 5.396 299 1HD2 ASN 34 1HD2 ASN 34 9.284 6.057 6.057 300 2HD2 ASN 34 2HD2 ASN 34 8.680 5.098 5.098 301 H ASN 35 H ASN 35 12.638 1.475 1.475 302 HA ASN 35 HA ASN 35 13.226 1.026 1.026 303 1HB ASN 35 1HB ASN 35 15.449 1.517 1.517 304 2HB ASN 35 2HB ASN 35 15.160 3.239 3.239 305 1HD2 ASN 35 1HD2 ASN 35 15.765 2.511 2.511 306 2HD2 ASN 35 2HD2 ASN 35 14.241 1.849 1.849 307 H TRP 36 H TRP 36 11.246 1.541 1.541 308 HA TRP 36 HA TRP 36 11.217 4.183 4.183 309 1HB TRP 36 1HB TRP 36 9.038 2.810 2.810 310 2HB TRP 36 2HB TRP 36 8.566 3.948 3.948 311 HD1 TRP 36 HD1 TRP 36 11.496 5.725 5.725 312 HE1 TRP 36 HE1 TRP 36 11.157 7.556 7.556 313 HE3 TRP 36 HE3 TRP 36 7.201 3.765 3.765 314 HZ2 TRP 36 HZ2 TRP 36 9.087 7.993 7.993 315 HZ3 TRP 36 HZ3 TRP 36 6.055 4.948 4.948 316 HH2 TRP 36 HH2 TRP 36 7.031 6.974 6.974 317 H GLU 37 H GLU 37 9.295 4.111 4.111 318 HA GLU 37 HA GLU 37 9.626 1.472 1.472 319 1HB GLU 37 1HB GLU 37 10.325 3.916 3.916 320 2HB GLU 37 2HB GLU 37 8.619 4.134 4.134 321 1HG GLU 37 1HG GLU 37 10.354 3.223 3.223 322 2HG GLU 37 2HG GLU 37 8.658 2.810 2.810 323 H CYS 38 H CYS 38 7.981 0.976 0.976 324 HA CYS 38 HA CYS 38 5.219 1.458 1.458 325 1HB CYS 38 1HB CYS 38 6.421 -0.274 -0.274 326 2HB CYS 38 2HB CYS 38 6.434 -1.403 -1.403 327 H ARG 39 H ARG 39 4.552 2.092 2.092 328 HA ARG 39 HA ARG 39 4.258 -0.194 -0.194 329 1HB ARG 39 1HB ARG 39 5.230 2.550 2.550 330 2HB ARG 39 2HB ARG 39 3.713 2.438 2.438 331 1HG ARG 39 1HG ARG 39 4.894 0.113 0.113 332 2HG ARG 39 2HG ARG 39 6.362 0.971 0.971 333 1HD ARG 39 1HD ARG 39 5.392 2.998 2.998 334 2HD ARG 39 2HD ARG 39 4.224 1.814 1.814 335 HE ARG 39 HE ARG 39 7.007 0.794 0.794 336 1HH1 ARG 39 1HH1 ARG 39 4.735 2.693 2.693 337 2HH1 ARG 39 2HH1 ARG 39 5.630 2.397 2.397 338 1HH2 ARG 39 1HH2 ARG 39 7.920 0.516 0.516 339 2HH2 ARG 39 2HH2 ARG 39 7.362 1.214 1.214 340 H TYR 40 H TYR 40 2.512 -0.983 -0.983 341 HA TYR 40 HA TYR 40 -0.035 0.574 0.574 342 1HB TYR 40 1HB TYR 40 -1.163 -1.591 -1.591 343 2HB TYR 40 2HB TYR 40 -0.613 -0.273 -0.273 344 HD1 TYR 40 HD1 TYR 40 1.274 -3.255 -3.255 345 HD2 TYR 40 HD2 TYR 40 0.094 -1.034 -1.034 346 HE1 TYR 40 HE1 TYR 40 2.300 -4.958 -4.958 347 HE2 TYR 40 HE2 TYR 40 1.222 -2.699 -2.699 348 HH TYR 40 HH TYR 40 1.232 -5.432 -5.432 349 H SER 41 H SER 41 1.134 0.093 0.093 350 HA SER 41 HA SER 41 1.458 -2.493 -2.493 351 1HB SER 41 1HB SER 41 0.976 -1.398 -1.398 352 2HB SER 41 2HB SER 41 2.275 -0.692 -0.692 353 HG SER 41 HG SER 41 0.715 0.899 0.899 354 HA PRO 42 HA PRO 42 -2.670 -4.246 -4.246 355 1HB PRO 42 1HB PRO 42 -1.964 -6.586 -6.586 356 2HB PRO 42 2HB PRO 42 -1.533 -6.229 -6.229 357 1HG PRO 42 1HG PRO 42 0.229 -5.610 -5.610 358 2HG PRO 42 2HG PRO 42 0.515 -6.789 -6.789 359 1HD PRO 42 1HD PRO 42 1.388 -4.187 -4.187 360 2HD PRO 42 2HD PRO 42 0.674 -4.789 -4.789 361 H LYS 43 H LYS 43 -0.491 -3.813 -3.813 362 HA LYS 43 HA LYS 43 -0.897 -3.664 -3.664 363 1HB LYS 43 1HB LYS 43 -3.923 -3.521 -3.521 364 2HB LYS 43 2HB LYS 43 -3.039 -2.795 -2.795 365 1HG LYS 43 1HG LYS 43 -1.902 -1.191 -1.191 366 2HG LYS 43 2HG LYS 43 -2.763 -1.951 -1.951 367 1HD LYS 43 1HD LYS 43 -3.707 0.266 0.266 368 2HD LYS 43 2HD LYS 43 -4.894 -1.052 -1.052 369 1HE LYS 43 1HE LYS 43 -4.902 -1.371 -1.371 370 2HE LYS 43 2HE LYS 43 -3.282 -0.691 -0.691 371 1HZ LYS 43 1HZ LYS 43 -4.173 1.491 1.491 372 2HZ LYS 43 2HZ LYS 43 -5.719 0.838 0.838 373 3HZ LYS 43 3HZ LYS 43 -4.923 0.873 0.873 Start of MODEL 23 1 1H MET 1 1H MET 1 -10.902 -11.712 -11.712 2 2H MET 1 2H MET 1 -10.955 -11.331 -11.331 3 3H MET 1 3H MET 1 -9.627 -10.876 -10.876 4 HA MET 1 HA MET 1 -8.616 -12.793 -12.793 5 1HB MET 1 1HB MET 1 -10.888 -13.100 -13.100 6 2HB MET 1 2HB MET 1 -9.538 -14.218 -14.218 7 1HG MET 1 1HG MET 1 -7.902 -12.388 -12.388 8 2HG MET 1 2HG MET 1 -9.223 -11.204 -11.204 9 1HE MET 1 1HE MET 1 -9.454 -10.252 -10.252 10 2HE MET 1 2HE MET 1 -11.077 -10.997 -10.997 11 3HE MET 1 3HE MET 1 -9.974 -10.978 -10.978 12 H LYS 2 H LYS 2 -11.753 -14.178 -14.178 13 HA LYS 2 HA LYS 2 -11.415 -16.210 -16.210 14 1HB LYS 2 1HB LYS 2 -13.627 -15.568 -15.568 15 2HB LYS 2 2HB LYS 2 -13.949 -16.697 -16.697 16 1HG LYS 2 1HG LYS 2 -11.572 -17.007 -17.007 17 2HG LYS 2 2HG LYS 2 -13.152 -17.746 -17.746 18 1HD LYS 2 1HD LYS 2 -10.981 -18.366 -18.366 19 2HD LYS 2 2HD LYS 2 -11.803 -19.469 -19.469 20 1HE LYS 2 1HE LYS 2 -14.035 -18.799 -18.799 21 2HE LYS 2 2HE LYS 2 -12.928 -18.258 -18.258 22 1HZ LYS 2 1HZ LYS 2 -12.173 -20.813 -20.813 23 2HZ LYS 2 2HZ LYS 2 -13.723 -20.820 -20.820 24 3HZ LYS 2 3HZ LYS 2 -12.414 -20.340 -20.340 25 H LEU 3 H LEU 3 -13.116 -13.210 -13.210 26 HA LEU 3 HA LEU 3 -14.623 -13.557 -13.557 27 1HB LEU 3 1HB LEU 3 -14.512 -11.141 -11.141 28 2HB LEU 3 2HB LEU 3 -15.612 -11.300 -11.300 29 HG LEU 3 HG LEU 3 -16.524 -13.450 -13.450 30 1HD1 LEU 3 1HD1 LEU 3 -14.795 -12.144 -12.144 31 2HD1 LEU 3 2HD1 LEU 3 -16.261 -13.060 -13.060 32 3HD1 LEU 3 3HD1 LEU 3 -14.939 -13.863 -13.863 33 1HD2 LEU 3 1HD2 LEU 3 -17.025 -10.551 -10.551 34 2HD2 LEU 3 2HD2 LEU 3 -18.016 -11.556 -11.556 35 3HD2 LEU 3 3HD2 LEU 3 -17.960 -11.931 -11.931 36 H LEU 4 H LEU 4 -14.803 -11.265 -11.265 37 HA LEU 4 HA LEU 4 -11.913 -10.561 -10.561 38 1HB LEU 4 1HB LEU 4 -13.345 -10.126 -10.126 39 2HB LEU 4 2HB LEU 4 -12.317 -11.508 -11.508 40 HG LEU 4 HG LEU 4 -15.351 -11.455 -11.455 41 1HD1 LEU 4 1HD1 LEU 4 -13.692 -12.142 -12.142 42 2HD1 LEU 4 2HD1 LEU 4 -15.116 -13.155 -13.155 43 3HD1 LEU 4 3HD1 LEU 4 -15.299 -11.399 -11.399 44 1HD2 LEU 4 1HD2 LEU 4 -13.221 -13.639 -13.639 45 2HD2 LEU 4 2HD2 LEU 4 -14.559 -13.252 -13.252 46 3HD2 LEU 4 3HD2 LEU 4 -14.882 -14.098 -14.098 47 H SER 5 H SER 5 -11.558 -8.727 -8.727 48 HA SER 5 HA SER 5 -13.441 -6.484 -6.484 49 1HB SER 5 1HB SER 5 -12.747 -7.277 -7.277 50 2HB SER 5 2HB SER 5 -12.852 -5.557 -5.557 51 HG SER 5 HG SER 5 -14.837 -6.673 -6.673 52 H SER 6 H SER 6 -12.589 -4.666 -4.666 53 HA SER 6 HA SER 6 -10.897 -3.058 -3.058 54 1HB SER 6 1HB SER 6 -8.833 -3.981 -3.981 55 2HB SER 6 2HB SER 6 -9.618 -2.414 -2.414 56 HG SER 6 HG SER 6 -10.195 -3.398 -3.398 57 H ILE 7 H ILE 7 -10.354 -3.544 -3.544 58 HA ILE 7 HA ILE 7 -7.814 -5.151 -5.151 59 HB ILE 7 HB ILE 7 -10.380 -6.383 -6.383 60 1HG1 ILE 7 1HG1 ILE 7 -7.553 -7.337 -7.337 61 2HG1 ILE 7 2HG1 ILE 7 -8.477 -7.714 -7.714 62 1HG2 ILE 7 1HG2 ILE 7 -10.393 -5.266 -5.266 63 2HG2 ILE 7 2HG2 ILE 7 -9.068 -6.321 -6.321 64 3HG2 ILE 7 3HG2 ILE 7 -10.632 -7.027 -7.027 65 1HD1 ILE 7 1HD1 ILE 7 -10.238 -8.882 -8.882 66 2HD1 ILE 7 2HD1 ILE 7 -8.873 -8.938 -8.938 67 3HD1 ILE 7 3HD1 ILE 7 -8.727 -9.711 -9.711 68 H GLU 8 H GLU 8 -8.545 -2.421 -2.421 69 HA GLU 8 HA GLU 8 -8.858 -1.889 -1.889 70 1HB GLU 8 1HB GLU 8 -9.299 -0.436 -0.436 71 2HB GLU 8 2HB GLU 8 -8.417 0.565 0.565 72 1HG GLU 8 1HG GLU 8 -11.106 0.635 0.635 73 2HG GLU 8 2HG GLU 8 -10.281 0.863 0.863 74 H GLN 9 H GLN 9 -7.022 -2.699 -2.699 75 HA GLN 9 HA GLN 9 -4.393 -2.080 -2.080 76 1HB GLN 9 1HB GLN 9 -5.525 -3.527 -3.527 77 2HB GLN 9 2HB GLN 9 -3.940 -2.824 -2.824 78 1HG GLN 9 1HG GLN 9 -2.903 -4.561 -4.561 79 2HG GLN 9 2HG GLN 9 -3.770 -4.194 -4.194 80 1HE2 GLN 9 1HE2 GLN 9 -4.785 -7.474 -7.474 81 2HE2 GLN 9 2HE2 GLN 9 -3.681 -6.168 -6.168 82 H ALA 10 H ALA 10 -2.819 -1.650 -1.650 83 HA ALA 10 HA ALA 10 -2.447 -0.154 -0.154 84 1HB ALA 10 1HB ALA 10 -4.759 0.722 0.722 85 2HB ALA 10 2HB ALA 10 -4.483 1.731 1.731 86 3HB ALA 10 3HB ALA 10 -3.628 2.086 2.086 87 H CYS 11 H CYS 11 -0.421 0.885 0.885 88 HA CYS 11 HA CYS 11 0.517 1.252 1.252 89 1HB CYS 11 1HB CYS 11 2.758 1.332 1.332 90 2HB CYS 11 2HB CYS 11 1.821 0.055 0.055 91 H ASP 12 H ASP 12 2.135 3.018 3.018 92 HA ASP 12 HA ASP 12 0.620 5.523 5.523 93 1HB ASP 12 1HB ASP 12 2.259 5.272 5.272 94 2HB ASP 12 2HB ASP 12 3.487 4.675 4.675 95 H ILE 13 H ILE 13 2.864 4.202 4.202 96 HA ILE 13 HA ILE 13 3.543 6.860 6.860 97 HB ILE 13 HB ILE 13 4.089 3.934 3.934 98 1HG1 ILE 13 1HG1 ILE 13 5.643 4.772 4.772 99 2HG1 ILE 13 2HG1 ILE 13 6.525 4.642 4.642 100 1HG2 ILE 13 1HG2 ILE 13 4.346 6.281 6.281 101 2HG2 ILE 13 2HG2 ILE 13 5.764 5.214 5.214 102 3HG2 ILE 13 3HG2 ILE 13 4.166 4.578 4.578 103 1HD1 ILE 13 1HD1 ILE 13 5.344 7.382 7.382 104 2HD1 ILE 13 2HD1 ILE 13 6.679 6.887 6.887 105 3HD1 ILE 13 3HD1 ILE 13 6.905 6.897 6.897 106 H CYS 14 H CYS 14 1.151 4.466 4.466 107 HA CYS 14 HA CYS 14 0.528 5.713 5.713 108 1HB CYS 14 1HB CYS 14 -0.517 3.314 3.314 109 2HB CYS 14 2HB CYS 14 -1.615 4.038 4.038 110 H ARG 15 H ARG 15 -0.990 5.615 5.615 111 HA ARG 15 HA ARG 15 -3.051 7.501 7.501 112 1HB ARG 15 1HB ARG 15 -3.084 7.993 7.993 113 2HB ARG 15 2HB ARG 15 -2.602 6.315 6.315 114 1HG ARG 15 1HG ARG 15 -0.133 7.046 7.046 115 2HG ARG 15 2HG ARG 15 -0.686 8.706 8.706 116 1HD ARG 15 1HD ARG 15 -2.001 6.571 6.571 117 2HD ARG 15 2HD ARG 15 -0.315 7.025 7.025 118 HE ARG 15 HE ARG 15 -2.619 9.016 9.016 119 1HH1 ARG 15 1HH1 ARG 15 0.409 8.071 8.071 120 2HH1 ARG 15 2HH1 ARG 15 0.437 9.539 9.539 121 1HH2 ARG 15 1HH2 ARG 15 -2.520 10.577 10.577 122 2HH2 ARG 15 2HH2 ARG 15 -1.153 10.905 10.905 123 H LEU 16 H LEU 16 0.307 8.269 8.269 124 HA LEU 16 HA LEU 16 -0.233 11.166 11.166 125 1HB LEU 16 1HB LEU 16 1.868 11.261 11.261 126 2HB LEU 16 2HB LEU 16 1.749 9.513 9.513 127 HG LEU 16 HG LEU 16 2.964 9.589 9.589 128 1HD1 LEU 16 1HD1 LEU 16 2.827 12.166 12.166 129 2HD1 LEU 16 2HD1 LEU 16 3.946 12.273 12.273 130 3HD1 LEU 16 3HD1 LEU 16 4.477 11.517 11.517 131 1HD2 LEU 16 1HD2 LEU 16 3.853 8.637 8.637 132 2HD2 LEU 16 2HD2 LEU 16 5.132 9.403 9.403 133 3HD2 LEU 16 3HD2 LEU 16 4.458 10.243 10.243 134 H LYS 17 H LYS 17 1.335 9.055 9.055 135 HA LYS 17 HA LYS 17 1.938 11.384 11.384 136 1HB LYS 17 1HB LYS 17 2.348 8.326 8.326 137 2HB LYS 17 2HB LYS 17 2.730 9.388 9.388 138 1HG LYS 17 1HG LYS 17 3.998 10.574 10.574 139 2HG LYS 17 2HG LYS 17 4.291 8.840 8.840 140 1HD LYS 17 1HD LYS 17 4.774 9.824 9.824 141 2HD LYS 17 2HD LYS 17 5.645 10.829 10.829 142 1HE LYS 17 1HE LYS 17 5.760 7.727 7.727 143 2HE LYS 17 2HE LYS 17 7.042 8.806 8.806 144 1HZ LYS 17 1HZ LYS 17 6.075 9.259 9.259 145 2HZ LYS 17 2HZ LYS 17 6.984 7.872 7.872 146 3HZ LYS 17 3HZ LYS 17 7.628 9.383 9.383 147 H LYS 18 H LYS 18 -0.633 9.229 9.229 148 HA LYS 18 HA LYS 18 -2.517 8.694 8.694 149 1HB LYS 18 1HB LYS 18 -1.792 11.396 11.396 150 2HB LYS 18 2HB LYS 18 -3.042 10.359 10.359 151 1HG LYS 18 1HG LYS 18 -4.354 10.461 10.461 152 2HG LYS 18 2HG LYS 18 -3.025 11.271 11.271 153 1HD LYS 18 1HD LYS 18 -4.373 12.519 12.519 154 2HD LYS 18 2HD LYS 18 -5.154 12.609 12.609 155 1HE LYS 18 1HE LYS 18 -3.152 13.716 13.716 156 2HE LYS 18 2HE LYS 18 -2.218 13.513 13.513 157 1HZ LYS 18 1HZ LYS 18 -4.641 14.740 14.740 158 2HZ LYS 18 2HZ LYS 18 -4.020 15.560 15.560 159 3HZ LYS 18 3HZ LYS 18 -3.087 15.381 15.381 160 H LEU 19 H LEU 19 -1.245 6.941 6.941 161 HA LEU 19 HA LEU 19 -0.773 6.713 6.713 162 1HB LEU 19 1HB LEU 19 0.973 4.798 4.798 163 2HB LEU 19 2HB LEU 19 1.402 6.066 6.066 164 HG LEU 19 HG LEU 19 1.121 7.143 7.143 165 1HD1 LEU 19 1HD1 LEU 19 2.240 4.478 4.478 166 2HD1 LEU 19 2HD1 LEU 19 3.616 5.584 5.584 167 3HD1 LEU 19 3HD1 LEU 19 2.297 5.570 5.570 168 1HD2 LEU 19 1HD2 LEU 19 3.277 7.181 7.181 169 2HD2 LEU 19 2HD2 LEU 19 2.359 8.536 8.536 170 3HD2 LEU 19 3HD2 LEU 19 3.637 7.764 7.764 171 H LYS 20 H LYS 20 -0.304 4.248 4.248 172 HA LYS 20 HA LYS 20 -2.884 2.947 2.947 173 1HB LYS 20 1HB LYS 20 -2.313 1.208 1.208 174 2HB LYS 20 2HB LYS 20 -2.354 2.835 2.835 175 1HG LYS 20 1HG LYS 20 0.152 2.970 2.970 176 2HG LYS 20 2HG LYS 20 0.261 1.452 1.452 177 1HD LYS 20 1HD LYS 20 -0.616 1.930 1.930 178 2HD LYS 20 2HD LYS 20 0.832 1.075 1.075 179 1HE LYS 20 1HE LYS 20 -0.335 -0.895 -0.895 180 2HE LYS 20 2HE LYS 20 -1.753 -0.033 -0.033 181 1HZ LYS 20 1HZ LYS 20 -2.268 0.578 0.578 182 2HZ LYS 20 2HZ LYS 20 -1.032 -0.444 -0.444 183 3HZ LYS 20 3HZ LYS 20 -2.353 -1.070 -1.070 184 H CYS 21 H CYS 21 -3.100 1.094 1.094 185 HA CYS 21 HA CYS 21 -0.511 0.031 0.031 186 1HB CYS 21 1HB CYS 21 -1.710 1.875 1.875 187 2HB CYS 21 2HB CYS 21 -2.982 0.682 0.682 188 H SER 22 H SER 22 -1.408 -1.420 -1.420 189 HA SER 22 HA SER 22 -3.161 -3.561 -3.561 190 1HB SER 22 1HB SER 22 -1.071 -5.061 -5.061 191 2HB SER 22 2HB SER 22 -1.954 -4.003 -4.003 192 HG SER 22 HG SER 22 0.118 -3.481 -3.481 193 H LYS 23 H LYS 23 -0.582 -2.729 -2.729 194 HA LYS 23 HA LYS 23 -0.744 -3.299 -3.299 195 1HB LYS 23 1HB LYS 23 -2.853 -5.206 -5.206 196 2HB LYS 23 2HB LYS 23 -2.214 -5.596 -5.596 197 1HG LYS 23 1HG LYS 23 -2.888 -3.278 -3.278 198 2HG LYS 23 2HG LYS 23 -3.475 -2.866 -2.866 199 1HD LYS 23 1HD LYS 23 -4.831 -5.293 -5.293 200 2HD LYS 23 2HD LYS 23 -4.736 -4.390 -4.390 201 1HE LYS 23 1HE LYS 23 -5.773 -2.375 -2.375 202 2HE LYS 23 2HE LYS 23 -5.663 -3.042 -3.042 203 1HZ LYS 23 1HZ LYS 23 -6.977 -4.979 -4.979 204 2HZ LYS 23 2HZ LYS 23 -7.628 -3.535 -3.535 205 3HZ LYS 23 3HZ LYS 23 -7.660 -3.885 -3.885 206 H GLU 24 H GLU 24 0.420 -5.340 -5.340 207 HA GLU 24 HA GLU 24 1.432 -7.593 -7.593 208 1HB GLU 24 1HB GLU 24 3.701 -7.091 -7.091 209 2HB GLU 24 2HB GLU 24 2.235 -7.424 -7.424 210 1HG GLU 24 1HG GLU 24 3.286 -4.552 -4.552 211 2HG GLU 24 2HG GLU 24 3.722 -5.509 -5.509 212 H LYS 25 H LYS 25 3.465 -8.198 -8.198 213 HA LYS 25 HA LYS 25 4.405 -6.204 -6.204 214 1HB LYS 25 1HB LYS 25 3.432 -9.091 -9.091 215 2HB LYS 25 2HB LYS 25 4.087 -7.991 -7.991 216 1HG LYS 25 1HG LYS 25 1.967 -7.135 -7.135 217 2HG LYS 25 2HG LYS 25 1.938 -6.540 -6.540 218 1HD LYS 25 1HD LYS 25 0.025 -7.893 -7.893 219 2HD LYS 25 2HD LYS 25 1.202 -9.078 -9.078 220 1HE LYS 25 1HE LYS 25 1.692 -9.596 -9.596 221 2HE LYS 25 2HE LYS 25 0.157 -8.775 -8.775 222 1HZ LYS 25 1HZ LYS 25 0.136 -10.728 -10.728 223 2HZ LYS 25 2HZ LYS 25 0.305 -11.334 -11.334 224 3HZ LYS 25 3HZ LYS 25 -1.029 -10.388 -10.388 225 HA PRO 26 HA PRO 26 5.689 -6.690 -6.690 226 1HB PRO 26 1HB PRO 26 8.058 -5.325 -5.325 227 2HB PRO 26 2HB PRO 26 7.870 -7.146 -7.146 228 1HG PRO 26 1HG PRO 26 8.755 -6.071 -6.071 229 2HG PRO 26 2HG PRO 26 9.719 -7.041 -7.041 230 1HD PRO 26 1HD PRO 26 8.355 -8.117 -8.117 231 2HD PRO 26 2HD PRO 26 8.094 -8.846 -8.846 232 H LYS 27 H LYS 27 7.466 -5.246 -5.246 233 HA LYS 27 HA LYS 27 5.787 -2.729 -2.729 234 1HB LYS 27 1HB LYS 27 8.015 -2.637 -2.637 235 2HB LYS 27 2HB LYS 27 7.553 -1.443 -1.443 236 1HG LYS 27 1HG LYS 27 8.567 -3.648 -3.648 237 2HG LYS 27 2HG LYS 27 9.623 -3.593 -3.593 238 1HD LYS 27 1HD LYS 27 10.672 -2.208 -2.208 239 2HD LYS 27 2HD LYS 27 9.890 -1.033 -1.033 240 1HE LYS 27 1HE LYS 27 9.219 -0.310 -0.310 241 2HE LYS 27 2HE LYS 27 7.790 -1.147 -1.147 242 1HZ LYS 27 1HZ LYS 27 8.974 -3.219 -3.219 243 2HZ LYS 27 2HZ LYS 27 9.715 -2.052 -2.052 244 3HZ LYS 27 3HZ LYS 27 8.038 -2.176 -2.176 245 H CYS 28 H CYS 28 4.370 -2.077 -2.077 246 HA CYS 28 HA CYS 28 3.509 -3.751 -3.751 247 1HB CYS 28 1HB CYS 28 2.778 -1.448 -1.448 248 2HB CYS 28 2HB CYS 28 2.029 -1.970 -1.970 249 H ALA 29 H ALA 29 3.528 -2.715 -2.715 250 HA ALA 29 HA ALA 29 6.221 -3.050 -3.050 251 1HB ALA 29 1HB ALA 29 4.047 -3.267 -3.267 252 2HB ALA 29 2HB ALA 29 3.734 -1.527 -1.527 253 3HB ALA 29 3HB ALA 29 5.118 -2.078 -2.078 254 H LYS 30 H LYS 30 4.288 -0.255 -0.255 255 HA LYS 30 HA LYS 30 5.967 1.912 1.912 256 1HB LYS 30 1HB LYS 30 3.751 1.416 1.416 257 2HB LYS 30 2HB LYS 30 4.979 2.029 2.029 258 1HG LYS 30 1HG LYS 30 3.241 3.687 3.687 259 2HG LYS 30 2HG LYS 30 4.861 4.208 4.208 260 1HD LYS 30 1HD LYS 30 4.384 2.945 2.945 261 2HD LYS 30 2HD LYS 30 3.796 4.590 4.590 262 1HE LYS 30 1HE LYS 30 6.308 4.932 4.932 263 2HE LYS 30 2HE LYS 30 6.703 3.591 3.591 264 1HZ LYS 30 1HZ LYS 30 5.015 5.413 5.413 265 2HZ LYS 30 2HZ LYS 30 6.313 6.248 6.248 266 3HZ LYS 30 3HZ LYS 30 6.590 4.949 4.949 267 H CYS 31 H CYS 31 6.014 0.666 0.666 268 HA CYS 31 HA CYS 31 8.370 2.252 2.252 269 1HB CYS 31 1HB CYS 31 7.304 -0.231 -0.231 270 2HB CYS 31 2HB CYS 31 8.353 1.007 1.007 271 H LEU 32 H LEU 32 8.033 -1.066 -1.066 272 HA LEU 32 HA LEU 32 10.868 -1.756 -1.756 273 1HB LEU 32 1HB LEU 32 8.951 -3.439 -3.439 274 2HB LEU 32 2HB LEU 32 8.946 -2.896 -2.896 275 HG LEU 32 HG LEU 32 10.132 -5.142 -5.142 276 1HD1 LEU 32 1HD1 LEU 32 10.188 -4.082 -4.082 277 2HD1 LEU 32 2HD1 LEU 32 11.576 -3.075 -3.075 278 3HD1 LEU 32 3HD1 LEU 32 11.743 -4.844 -4.844 279 1HD2 LEU 32 1HD2 LEU 32 12.394 -3.163 -3.163 280 2HD2 LEU 32 2HD2 LEU 32 11.620 -4.362 -4.362 281 3HD2 LEU 32 3HD2 LEU 32 12.618 -4.911 -4.911 282 H LYS 33 H LYS 33 9.198 -0.140 -0.140 283 HA LYS 33 HA LYS 33 11.497 -0.374 -0.374 284 1HB LYS 33 1HB LYS 33 8.925 1.365 1.365 285 2HB LYS 33 2HB LYS 33 10.146 1.529 1.529 286 1HG LYS 33 1HG LYS 33 9.273 -1.335 -1.335 287 2HG LYS 33 2HG LYS 33 7.974 -0.271 -0.271 288 1HD LYS 33 1HD LYS 33 9.261 0.266 0.266 289 2HD LYS 33 2HD LYS 33 10.689 -0.585 -0.585 290 1HE LYS 33 1HE LYS 33 9.268 -2.742 -2.742 291 2HE LYS 33 2HE LYS 33 7.937 -1.895 -1.895 292 1HZ LYS 33 1HZ LYS 33 9.724 -1.318 -1.318 293 2HZ LYS 33 2HZ LYS 33 10.579 -2.606 -2.606 294 3HZ LYS 33 3HZ LYS 33 9.048 -2.858 -2.858 295 H ASN 34 H ASN 34 10.504 1.755 1.755 296 HA ASN 34 HA ASN 34 12.748 3.678 3.678 297 1HB ASN 34 1HB ASN 34 9.990 4.072 4.072 298 2HB ASN 34 2HB ASN 34 11.240 5.251 5.251 299 1HD2 ASN 34 1HD2 ASN 34 9.151 5.496 5.496 300 2HD2 ASN 34 2HD2 ASN 34 8.729 4.326 4.326 301 H ASN 35 H ASN 35 12.467 1.193 1.193 302 HA ASN 35 HA ASN 35 13.040 0.698 0.698 303 1HB ASN 35 1HB ASN 35 15.322 1.087 1.087 304 2HB ASN 35 2HB ASN 35 15.082 2.816 2.816 305 1HD2 ASN 35 1HD2 ASN 35 15.413 2.078 2.078 306 2HD2 ASN 35 2HD2 ASN 35 14.039 1.275 1.275 307 H TRP 36 H TRP 36 11.108 1.330 1.330 308 HA TRP 36 HA TRP 36 11.250 3.952 3.952 309 1HB TRP 36 1HB TRP 36 8.914 2.757 2.757 310 2HB TRP 36 2HB TRP 36 8.617 3.937 3.937 311 HD1 TRP 36 HD1 TRP 36 11.565 5.524 5.524 312 HE1 TRP 36 HE1 TRP 36 11.342 7.332 7.332 313 HE3 TRP 36 HE3 TRP 36 7.203 3.742 3.742 314 HZ2 TRP 36 HZ2 TRP 36 9.349 7.791 7.791 315 HZ3 TRP 36 HZ3 TRP 36 6.265 4.797 4.797 316 HH2 TRP 36 HH2 TRP 36 7.270 6.839 6.839 317 H GLU 37 H GLU 37 9.421 3.940 3.940 318 HA GLU 37 HA GLU 37 9.790 1.281 1.281 319 1HB GLU 37 1HB GLU 37 10.590 3.745 3.745 320 2HB GLU 37 2HB GLU 37 8.924 3.914 3.914 321 1HG GLU 37 1HG GLU 37 10.493 3.171 3.171 322 2HG GLU 37 2HG GLU 37 9.123 2.108 2.108 323 H CYS 38 H CYS 38 8.009 1.004 1.004 324 HA CYS 38 HA CYS 38 5.318 1.490 1.490 325 1HB CYS 38 1HB CYS 38 6.497 -0.319 -0.319 326 2HB CYS 38 2HB CYS 38 6.454 -1.413 -1.413 327 H ARG 39 H ARG 39 4.605 2.207 2.207 328 HA ARG 39 HA ARG 39 4.596 0.250 0.250 329 1HB ARG 39 1HB ARG 39 4.608 3.217 3.217 330 2HB ARG 39 2HB ARG 39 3.321 2.702 2.702 331 1HG ARG 39 1HG ARG 39 6.159 1.536 1.536 332 2HG ARG 39 2HG ARG 39 5.832 3.182 3.182 333 1HD ARG 39 1HD ARG 39 3.648 1.846 1.846 334 2HD ARG 39 2HD ARG 39 4.873 0.551 0.551 335 HE ARG 39 HE ARG 39 4.862 2.943 2.943 336 1HH1 ARG 39 1HH1 ARG 39 7.106 0.899 0.899 337 2HH1 ARG 39 2HH1 ARG 39 8.478 1.312 1.312 338 1HH2 ARG 39 1HH2 ARG 39 6.392 3.340 3.340 339 2HH2 ARG 39 2HH2 ARG 39 8.096 2.637 2.637 340 H TYR 40 H TYR 40 3.131 -1.088 -1.088 341 HA TYR 40 HA TYR 40 0.412 -0.466 -0.466 342 1HB TYR 40 1HB TYR 40 1.964 -3.122 -3.122 343 2HB TYR 40 2HB TYR 40 0.254 -3.151 -3.151 344 HD1 TYR 40 HD1 TYR 40 -0.124 -1.135 -1.135 345 HD2 TYR 40 HD2 TYR 40 3.023 -4.005 -4.005 346 HE1 TYR 40 HE1 TYR 40 0.135 -1.364 -1.364 347 HE2 TYR 40 HE2 TYR 40 3.159 -4.342 -4.342 348 HH TYR 40 HH TYR 40 1.568 -2.035 -2.035 349 H SER 41 H SER 41 1.967 -1.002 -1.002 350 HA SER 41 HA SER 41 1.027 -1.220 -1.220 351 1HB SER 41 1HB SER 41 -1.096 -0.445 -0.445 352 2HB SER 41 2HB SER 41 -1.458 -0.763 -0.763 353 HG SER 41 HG SER 41 -2.736 -2.225 -2.225 354 HA PRO 42 HA PRO 42 1.653 -5.379 -5.379 355 1HB PRO 42 1HB PRO 42 -0.787 -5.276 -5.276 356 2HB PRO 42 2HB PRO 42 0.987 -5.812 -5.812 357 1HG PRO 42 1HG PRO 42 -0.020 -3.282 -3.282 358 2HG PRO 42 2HG PRO 42 1.719 -3.637 -3.637 359 1HD PRO 42 1HD PRO 42 -0.946 -2.670 -2.670 360 2HD PRO 42 2HD PRO 42 0.723 -1.894 -1.894 361 H LYS 43 H LYS 43 -1.675 -5.914 -5.914 362 HA LYS 43 HA LYS 43 -2.237 -7.512 -7.512 363 1HB LYS 43 1HB LYS 43 -0.922 -8.852 -8.852 364 2HB LYS 43 2HB LYS 43 -2.185 -9.748 -9.748 365 1HG LYS 43 1HG LYS 43 -0.839 -9.312 -9.312 366 2HG LYS 43 2HG LYS 43 0.463 -8.696 -8.696 367 1HD LYS 43 1HD LYS 43 0.229 -11.081 -11.081 368 2HD LYS 43 2HD LYS 43 -0.660 -11.536 -11.536 369 1HE LYS 43 1HE LYS 43 1.746 -12.052 -12.052 370 2HE LYS 43 2HE LYS 43 1.302 -10.713 -10.713 371 1HZ LYS 43 1HZ LYS 43 2.215 -9.990 -9.990 372 2HZ LYS 43 2HZ LYS 43 3.368 -10.593 -10.593 373 3HZ LYS 43 3HZ LYS 43 2.477 -9.226 -9.226 Start of MODEL 24 1 1H MET 1 1H MET 1 -29.206 5.106 5.106 2 2H MET 1 2H MET 1 -29.579 6.195 6.195 3 3H MET 1 3H MET 1 -28.804 6.730 6.730 4 HA MET 1 HA MET 1 -27.245 6.624 6.624 5 1HB MET 1 1HB MET 1 -28.151 3.659 3.659 6 2HB MET 1 2HB MET 1 -26.735 4.284 4.284 7 1HG MET 1 1HG MET 1 -28.009 5.476 5.476 8 2HG MET 1 2HG MET 1 -29.432 5.591 5.591 9 1HE MET 1 1HE MET 1 -26.870 3.057 3.057 10 2HE MET 1 2HE MET 1 -27.790 1.644 1.644 11 3HE MET 1 3HE MET 1 -27.638 1.931 1.931 12 H LYS 2 H LYS 2 -25.488 6.932 6.932 13 HA LYS 2 HA LYS 2 -24.721 4.987 4.987 14 1HB LYS 2 1HB LYS 2 -24.153 7.971 7.971 15 2HB LYS 2 2HB LYS 2 -23.033 7.043 7.043 16 1HG LYS 2 1HG LYS 2 -26.076 7.354 7.354 17 2HG LYS 2 2HG LYS 2 -24.793 8.230 8.230 18 1HD LYS 2 1HD LYS 2 -24.234 6.346 6.346 19 2HD LYS 2 2HD LYS 2 -24.680 5.187 5.187 20 1HE LYS 2 1HE LYS 2 -27.053 6.803 6.803 21 2HE LYS 2 2HE LYS 2 -26.349 6.015 6.015 22 1HZ LYS 2 1HZ LYS 2 -26.489 4.347 4.347 23 2HZ LYS 2 2HZ LYS 2 -27.971 4.792 4.792 24 3HZ LYS 2 3HZ LYS 2 -26.838 3.984 3.984 25 H LEU 3 H LEU 3 -23.614 6.679 6.679 26 HA LEU 3 HA LEU 3 -20.899 5.464 5.464 27 1HB LEU 3 1HB LEU 3 -22.123 7.548 7.548 28 2HB LEU 3 2HB LEU 3 -21.976 6.300 6.300 29 HG LEU 3 HG LEU 3 -19.532 7.080 7.080 30 1HD1 LEU 3 1HD1 LEU 3 -20.854 9.140 9.140 31 2HD1 LEU 3 2HD1 LEU 3 -20.151 8.534 8.534 32 3HD1 LEU 3 3HD1 LEU 3 -19.086 9.025 9.025 33 1HD2 LEU 3 1HD2 LEU 3 -19.752 5.112 5.112 34 2HD2 LEU 3 2HD2 LEU 3 -18.261 6.034 6.034 35 3HD2 LEU 3 3HD2 LEU 3 -19.388 6.468 6.468 36 H LEU 4 H LEU 4 -20.717 3.428 3.428 37 HA LEU 4 HA LEU 4 -21.250 1.979 1.979 38 1HB LEU 4 1HB LEU 4 -23.205 1.771 1.771 39 2HB LEU 4 2HB LEU 4 -22.264 0.299 0.299 40 HG LEU 4 HG LEU 4 -23.386 1.117 1.117 41 1HD1 LEU 4 1HD1 LEU 4 -25.244 1.265 1.265 42 2HD1 LEU 4 2HD1 LEU 4 -25.013 -0.482 -0.482 43 3HD1 LEU 4 3HD1 LEU 4 -25.554 0.108 0.108 44 1HD2 LEU 4 1HD2 LEU 4 -21.816 -0.912 -0.912 45 2HD2 LEU 4 2HD2 LEU 4 -23.434 -1.316 -1.316 46 3HD2 LEU 4 3HD2 LEU 4 -23.028 -1.690 -1.690 47 H SER 5 H SER 5 -19.847 0.535 0.535 48 HA SER 5 HA SER 5 -17.752 -0.568 -0.568 49 1HB SER 5 1HB SER 5 -18.198 -0.748 -0.748 50 2HB SER 5 2HB SER 5 -17.273 -1.854 -1.854 51 HG SER 5 HG SER 5 -19.075 -2.830 -2.830 52 H SER 6 H SER 6 -15.613 -0.321 -0.321 53 HA SER 6 HA SER 6 -14.700 1.976 1.976 54 1HB SER 6 1HB SER 6 -15.988 2.932 2.932 55 2HB SER 6 2HB SER 6 -14.416 2.676 2.676 56 HG SER 6 HG SER 6 -15.053 4.282 4.282 57 H ILE 7 H ILE 7 -13.146 0.825 0.825 58 HA ILE 7 HA ILE 7 -10.661 0.690 0.690 59 HB ILE 7 HB ILE 7 -11.240 -0.795 -0.795 60 1HG1 ILE 7 1HG1 ILE 7 -10.559 -3.175 -3.175 61 2HG1 ILE 7 2HG1 ILE 7 -9.440 -1.837 -1.837 62 1HG2 ILE 7 1HG2 ILE 7 -13.370 -1.835 -1.835 63 2HG2 ILE 7 2HG2 ILE 7 -12.548 -3.160 -3.160 64 3HG2 ILE 7 3HG2 ILE 7 -13.303 -1.888 -1.888 65 1HD1 ILE 7 1HD1 ILE 7 -9.840 -2.128 -2.128 66 2HD1 ILE 7 2HD1 ILE 7 -9.602 -3.766 -3.766 67 3HD1 ILE 7 3HD1 ILE 7 -8.380 -2.498 -2.498 68 H GLU 8 H GLU 8 -10.326 1.345 1.345 69 HA GLU 8 HA GLU 8 -9.941 -1.123 -1.123 70 1HB GLU 8 1HB GLU 8 -10.078 1.910 1.910 71 2HB GLU 8 2HB GLU 8 -9.569 0.726 0.726 72 1HG GLU 8 1HG GLU 8 -12.199 -0.086 -0.086 73 2HG GLU 8 2HG GLU 8 -12.283 1.590 1.590 74 H GLN 9 H GLN 9 -8.234 -1.974 -1.974 75 HA GLN 9 HA GLN 9 -5.859 -0.739 -0.739 76 1HB GLN 9 1HB GLN 9 -6.711 -3.337 -3.337 77 2HB GLN 9 2HB GLN 9 -5.425 -3.103 -3.103 78 1HG GLN 9 1HG GLN 9 -3.729 -2.768 -2.768 79 2HG GLN 9 2HG GLN 9 -4.950 -2.607 -2.607 80 1HE2 GLN 9 1HE2 GLN 9 -3.626 -6.320 -6.320 81 2HE2 GLN 9 2HE2 GLN 9 -3.370 -4.882 -4.882 82 H ALA 10 H ALA 10 -3.989 -0.067 -0.067 83 HA ALA 10 HA ALA 10 -2.958 -0.423 -0.423 84 1HB ALA 10 1HB ALA 10 -4.895 0.959 0.959 85 2HB ALA 10 2HB ALA 10 -4.434 2.297 2.297 86 3HB ALA 10 3HB ALA 10 -3.384 1.843 1.843 87 H CYS 11 H CYS 11 -0.894 0.566 0.566 88 HA CYS 11 HA CYS 11 0.323 0.931 0.931 89 1HB CYS 11 1HB CYS 11 2.431 0.771 0.771 90 2HB CYS 11 2HB CYS 11 1.335 -0.320 -0.320 91 H ASP 12 H ASP 12 2.103 2.581 2.581 92 HA ASP 12 HA ASP 12 0.642 5.112 5.112 93 1HB ASP 12 1HB ASP 12 2.244 4.869 4.869 94 2HB ASP 12 2HB ASP 12 3.390 4.044 4.044 95 H ILE 13 H ILE 13 2.985 3.945 3.945 96 HA ILE 13 HA ILE 13 3.676 6.662 6.662 97 HB ILE 13 HB ILE 13 4.259 3.806 3.806 98 1HG1 ILE 13 1HG1 ILE 13 5.908 4.508 4.508 99 2HG1 ILE 13 2HG1 ILE 13 6.691 4.696 4.696 100 1HG2 ILE 13 1HG2 ILE 13 3.766 5.209 5.209 101 2HG2 ILE 13 2HG2 ILE 13 5.186 6.197 6.197 102 3HG2 ILE 13 3HG2 ILE 13 5.342 4.463 4.463 103 1HD1 ILE 13 1HD1 ILE 13 5.645 7.261 7.261 104 2HD1 ILE 13 2HD1 ILE 13 6.053 6.858 6.858 105 3HD1 ILE 13 3HD1 ILE 13 7.298 6.766 6.766 106 H CYS 14 H CYS 14 1.281 4.335 4.335 107 HA CYS 14 HA CYS 14 0.543 5.772 5.772 108 1HB CYS 14 1HB CYS 14 -0.623 3.375 3.375 109 2HB CYS 14 2HB CYS 14 -1.570 4.149 4.149 110 H ARG 15 H ARG 15 -0.630 5.634 5.634 111 HA ARG 15 HA ARG 15 -2.793 7.469 7.469 112 1HB ARG 15 1HB ARG 15 -2.750 7.619 7.619 113 2HB ARG 15 2HB ARG 15 -1.710 6.223 6.223 114 1HG ARG 15 1HG ARG 15 0.264 8.194 8.194 115 2HG ARG 15 2HG ARG 15 -0.998 9.061 9.061 116 1HD ARG 15 1HD ARG 15 -1.208 6.766 6.766 117 2HD ARG 15 2HD ARG 15 0.416 6.443 6.443 118 HE ARG 15 HE ARG 15 0.952 8.891 8.891 119 1HH1 ARG 15 1HH1 ARG 15 -1.213 6.687 6.687 120 2HH1 ARG 15 2HH1 ARG 15 -0.891 7.433 7.433 121 1HH2 ARG 15 1HH2 ARG 15 1.265 9.635 9.635 122 2HH2 ARG 15 2HH2 ARG 15 0.459 9.034 9.034 123 H LEU 16 H LEU 16 0.608 8.347 8.347 124 HA LEU 16 HA LEU 16 -0.086 11.237 11.237 125 1HB LEU 16 1HB LEU 16 2.570 9.668 9.668 126 2HB LEU 16 2HB LEU 16 2.550 11.419 11.419 127 HG LEU 16 HG LEU 16 2.461 11.532 11.532 128 1HD1 LEU 16 1HD1 LEU 16 -0.041 11.572 11.572 129 2HD1 LEU 16 2HD1 LEU 16 -0.103 9.798 9.798 130 3HD1 LEU 16 3HD1 LEU 16 0.442 10.788 10.788 131 1HD2 LEU 16 1HD2 LEU 16 2.219 8.442 8.442 132 2HD2 LEU 16 2HD2 LEU 16 3.720 9.396 9.396 133 3HD2 LEU 16 3HD2 LEU 16 2.576 9.437 9.437 134 H LYS 17 H LYS 17 1.355 8.959 8.959 135 HA LYS 17 HA LYS 17 2.136 11.114 11.114 136 1HB LYS 17 1HB LYS 17 2.787 8.323 8.323 137 2HB LYS 17 2HB LYS 17 1.990 8.314 8.314 138 1HG LYS 17 1HG LYS 17 4.451 8.515 8.515 139 2HG LYS 17 2HG LYS 17 3.670 9.975 9.975 140 1HD LYS 17 1HD LYS 17 4.459 11.245 11.245 141 2HD LYS 17 2HD LYS 17 4.920 9.764 9.764 142 1HE LYS 17 1HE LYS 17 6.326 9.408 9.408 143 2HE LYS 17 2HE LYS 17 6.381 11.172 11.172 144 1HZ LYS 17 1HZ LYS 17 7.005 9.457 9.457 145 2HZ LYS 17 2HZ LYS 17 8.167 9.832 9.832 146 3HZ LYS 17 3HZ LYS 17 7.429 11.062 11.062 147 H LYS 18 H LYS 18 -0.625 9.261 9.261 148 HA LYS 18 HA LYS 18 -2.646 8.928 8.928 149 1HB LYS 18 1HB LYS 18 -1.778 11.505 11.505 150 2HB LYS 18 2HB LYS 18 -3.340 10.713 10.713 151 1HG LYS 18 1HG LYS 18 -3.594 10.958 10.958 152 2HG LYS 18 2HG LYS 18 -2.152 11.970 11.970 153 1HD LYS 18 1HD LYS 18 -3.345 13.711 13.711 154 2HD LYS 18 2HD LYS 18 -4.646 12.604 12.604 155 1HE LYS 18 1HE LYS 18 -4.035 13.369 13.369 156 2HE LYS 18 2HE LYS 18 -5.324 14.099 14.099 157 1HZ LYS 18 1HZ LYS 18 -6.122 11.752 11.752 158 2HZ LYS 18 2HZ LYS 18 -5.064 11.256 11.256 159 3HZ LYS 18 3HZ LYS 18 -6.304 12.336 12.336 160 H LEU 19 H LEU 19 -1.649 7.079 7.079 161 HA LEU 19 HA LEU 19 -0.982 6.829 6.829 162 1HB LEU 19 1HB LEU 19 0.572 5.876 5.876 163 2HB LEU 19 2HB LEU 19 0.515 4.774 4.774 164 HG LEU 19 HG LEU 19 1.945 6.074 6.074 165 1HD1 LEU 19 1HD1 LEU 19 1.125 8.555 8.555 166 2HD1 LEU 19 2HD1 LEU 19 2.440 8.555 8.555 167 3HD1 LEU 19 3HD1 LEU 19 0.776 8.223 8.223 168 1HD2 LEU 19 1HD2 LEU 19 2.843 5.458 5.458 169 2HD2 LEU 19 2HD2 LEU 19 3.887 6.157 6.157 170 3HD2 LEU 19 3HD2 LEU 19 3.160 7.211 7.211 171 H LYS 20 H LYS 20 -0.980 4.556 4.556 172 HA LYS 20 HA LYS 20 -3.387 3.127 3.127 173 1HB LYS 20 1HB LYS 20 -1.680 2.887 2.887 174 2HB LYS 20 2HB LYS 20 -2.410 1.394 1.394 175 1HG LYS 20 1HG LYS 20 -4.576 3.261 3.261 176 2HG LYS 20 2HG LYS 20 -3.688 3.784 3.784 177 1HD LYS 20 1HD LYS 20 -5.417 2.223 2.223 178 2HD LYS 20 2HD LYS 20 -3.877 1.360 1.360 179 1HE LYS 20 1HE LYS 20 -4.273 -0.077 -0.077 180 2HE LYS 20 2HE LYS 20 -5.181 1.135 1.135 181 1HZ LYS 20 1HZ LYS 20 -6.196 -0.197 -0.197 182 2HZ LYS 20 2HZ LYS 20 -6.587 -0.640 -0.640 183 3HZ LYS 20 3HZ LYS 20 -7.046 0.867 0.867 184 H CYS 21 H CYS 21 -3.399 1.132 1.132 185 HA CYS 21 HA CYS 21 -0.630 0.254 0.254 186 1HB CYS 21 1HB CYS 21 -2.115 1.739 1.739 187 2HB CYS 21 2HB CYS 21 -3.127 0.301 0.301 188 H SER 22 H SER 22 -1.067 -1.216 -1.216 189 HA SER 22 HA SER 22 -2.571 -3.579 -3.579 190 1HB SER 22 1HB SER 22 -0.307 -4.818 -4.818 191 2HB SER 22 2HB SER 22 -0.974 -3.627 -3.627 192 HG SER 22 HG SER 22 1.288 -3.384 -3.384 193 H LYS 23 H LYS 23 -0.530 -2.520 -2.520 194 HA LYS 23 HA LYS 23 -0.885 -3.257 -3.257 195 1HB LYS 23 1HB LYS 23 -2.031 -5.825 -5.825 196 2HB LYS 23 2HB LYS 23 -1.860 -5.617 -5.617 197 1HG LYS 23 1HG LYS 23 -3.220 -3.244 -3.244 198 2HG LYS 23 2HG LYS 23 -3.850 -4.377 -4.377 199 1HD LYS 23 1HD LYS 23 -5.017 -5.588 -5.588 200 2HD LYS 23 2HD LYS 23 -3.780 -5.320 -5.320 201 1HE LYS 23 1HE LYS 23 -4.590 -2.680 -2.680 202 2HE LYS 23 2HE LYS 23 -6.114 -3.523 -3.523 203 1HZ LYS 23 1HZ LYS 23 -5.673 -4.784 -4.784 204 2HZ LYS 23 2HZ LYS 23 -4.459 -3.668 -3.668 205 3HZ LYS 23 3HZ LYS 23 -6.053 -3.152 -3.152 206 H GLU 24 H GLU 24 0.549 -5.488 -5.488 207 HA GLU 24 HA GLU 24 1.516 -7.593 -7.593 208 1HB GLU 24 1HB GLU 24 3.843 -7.219 -7.219 209 2HB GLU 24 2HB GLU 24 2.369 -7.499 -7.499 210 1HG GLU 24 1HG GLU 24 2.193 -4.873 -4.873 211 2HG GLU 24 2HG GLU 24 3.807 -4.779 -4.779 212 H LYS 25 H LYS 25 3.301 -8.377 -8.377 213 HA LYS 25 HA LYS 25 4.029 -6.501 -6.501 214 1HB LYS 25 1HB LYS 25 2.962 -9.409 -9.409 215 2HB LYS 25 2HB LYS 25 3.630 -8.537 -8.537 216 1HG LYS 25 1HG LYS 25 1.783 -6.725 -6.725 217 2HG LYS 25 2HG LYS 25 1.097 -7.773 -7.773 218 1HD LYS 25 1HD LYS 25 1.414 -9.411 -9.411 219 2HD LYS 25 2HD LYS 25 0.867 -7.833 -7.833 220 1HE LYS 25 1HE LYS 25 -1.265 -8.142 -8.142 221 2HE LYS 25 2HE LYS 25 -0.652 -8.498 -8.498 222 1HZ LYS 25 1HZ LYS 25 0.039 -10.742 -10.742 223 2HZ LYS 25 2HZ LYS 25 -1.295 -10.337 -10.337 224 3HZ LYS 25 3HZ LYS 25 -1.463 -10.517 -10.517 225 HA PRO 26 HA PRO 26 5.055 -6.756 -6.756 226 1HB PRO 26 1HB PRO 26 7.346 -5.344 -5.344 227 2HB PRO 26 2HB PRO 26 7.110 -7.145 -7.145 228 1HG PRO 26 1HG PRO 26 8.368 -6.162 -6.162 229 2HG PRO 26 2HG PRO 26 9.144 -7.074 -7.074 230 1HD PRO 26 1HD PRO 26 8.098 -8.217 -8.217 231 2HD PRO 26 2HD PRO 26 7.645 -8.931 -8.931 232 H LYS 27 H LYS 27 7.166 -5.410 -5.410 233 HA LYS 27 HA LYS 27 5.525 -2.824 -2.824 234 1HB LYS 27 1HB LYS 27 7.991 -2.768 -2.768 235 2HB LYS 27 2HB LYS 27 7.464 -1.637 -1.637 236 1HG LYS 27 1HG LYS 27 8.207 -3.515 -3.515 237 2HG LYS 27 2HG LYS 27 9.017 -4.279 -4.279 238 1HD LYS 27 1HD LYS 27 10.797 -2.983 -2.983 239 2HD LYS 27 2HD LYS 27 9.966 -1.645 -1.645 240 1HE LYS 27 1HE LYS 27 10.283 -0.760 -0.760 241 2HE LYS 27 2HE LYS 27 8.606 -1.325 -1.325 242 1HZ LYS 27 1HZ LYS 27 10.325 -3.486 -3.486 243 2HZ LYS 27 2HZ LYS 27 10.715 -2.178 -2.178 244 3HZ LYS 27 3HZ LYS 27 9.142 -2.770 -2.770 245 H CYS 28 H CYS 28 4.393 -2.105 -2.105 246 HA CYS 28 HA CYS 28 3.601 -3.876 -3.876 247 1HB CYS 28 1HB CYS 28 2.946 -1.593 -1.593 248 2HB CYS 28 2HB CYS 28 2.106 -2.087 -2.087 249 H ALA 29 H ALA 29 3.741 -3.115 -3.115 250 HA ALA 29 HA ALA 29 6.488 -3.484 -3.484 251 1HB ALA 29 1HB ALA 29 4.371 -3.841 -3.841 252 2HB ALA 29 2HB ALA 29 4.038 -2.094 -2.094 253 3HB ALA 29 3HB ALA 29 5.467 -2.711 -2.711 254 H LYS 30 H LYS 30 4.481 -0.678 -0.678 255 HA LYS 30 HA LYS 30 6.182 1.427 1.427 256 1HB LYS 30 1HB LYS 30 3.828 1.140 1.140 257 2HB LYS 30 2HB LYS 30 4.944 1.866 1.866 258 1HG LYS 30 1HG LYS 30 3.371 3.357 3.357 259 2HG LYS 30 2HG LYS 30 4.913 3.941 3.941 260 1HD LYS 30 1HD LYS 30 5.963 2.965 2.965 261 2HD LYS 30 2HD LYS 30 4.304 2.666 2.666 262 1HE LYS 30 1HE LYS 30 3.980 5.300 5.300 263 2HE LYS 30 2HE LYS 30 5.710 5.357 5.357 264 1HZ LYS 30 1HZ LYS 30 3.876 4.044 4.044 265 2HZ LYS 30 2HZ LYS 30 3.998 5.721 5.721 266 3HZ LYS 30 3HZ LYS 30 5.360 4.785 4.785 267 H CYS 31 H CYS 31 6.046 0.515 0.515 268 HA CYS 31 HA CYS 31 8.317 2.210 2.210 269 1HB CYS 31 1HB CYS 31 7.345 -0.264 -0.264 270 2HB CYS 31 2HB CYS 31 8.302 1.074 1.074 271 H LEU 32 H LEU 32 8.176 -1.163 -1.163 272 HA LEU 32 HA LEU 32 11.033 -1.686 -1.686 273 1HB LEU 32 1HB LEU 32 9.201 -3.464 -3.464 274 2HB LEU 32 2HB LEU 32 9.198 -2.947 -2.947 275 HG LEU 32 HG LEU 32 10.735 -5.019 -5.019 276 1HD1 LEU 32 1HD1 LEU 32 9.790 -4.962 -4.962 277 2HD1 LEU 32 2HD1 LEU 32 10.991 -3.739 -3.739 278 3HD1 LEU 32 3HD1 LEU 32 11.513 -5.378 -5.378 279 1HD2 LEU 32 1HD2 LEU 32 12.608 -2.723 -2.723 280 2HD2 LEU 32 2HD2 LEU 32 12.524 -3.451 -3.451 281 3HD2 LEU 32 3HD2 LEU 32 13.116 -4.414 -4.414 282 H LYS 33 H LYS 33 9.328 -0.226 -0.226 283 HA LYS 33 HA LYS 33 11.669 -0.392 -0.392 284 1HB LYS 33 1HB LYS 33 9.021 1.225 1.225 285 2HB LYS 33 2HB LYS 33 10.242 1.382 1.382 286 1HG LYS 33 1HG LYS 33 9.953 -1.397 -1.397 287 2HG LYS 33 2HG LYS 33 8.356 -0.937 -0.937 288 1HD LYS 33 1HD LYS 33 9.608 0.256 0.256 289 2HD LYS 33 2HD LYS 33 8.752 -1.298 -1.298 290 1HE LYS 33 1HE LYS 33 6.637 -0.334 -0.334 291 2HE LYS 33 2HE LYS 33 7.359 1.091 1.091 292 1HZ LYS 33 1HZ LYS 33 7.797 0.630 0.630 293 2HZ LYS 33 2HZ LYS 33 6.345 1.283 1.283 294 3HZ LYS 33 3HZ LYS 33 7.795 2.072 2.072 295 H ASN 34 H ASN 34 10.502 1.768 1.768 296 HA ASN 34 HA ASN 34 12.620 3.802 3.802 297 1HB ASN 34 1HB ASN 34 9.859 4.048 4.048 298 2HB ASN 34 2HB ASN 34 11.040 5.302 5.302 299 1HD2 ASN 34 1HD2 ASN 34 8.940 5.388 5.388 300 2HD2 ASN 34 2HD2 ASN 34 8.670 4.079 4.079 301 H ASN 35 H ASN 35 12.490 1.346 1.346 302 HA ASN 35 HA ASN 35 13.180 0.948 0.948 303 1HB ASN 35 1HB ASN 35 15.427 1.413 1.413 304 2HB ASN 35 2HB ASN 35 15.060 3.082 3.082 305 1HD2 ASN 35 1HD2 ASN 35 15.519 2.937 2.937 306 2HD2 ASN 35 2HD2 ASN 35 14.272 1.813 1.813 307 H TRP 36 H TRP 36 11.193 1.480 1.480 308 HA TRP 36 HA TRP 36 11.214 4.129 4.129 309 1HB TRP 36 1HB TRP 36 8.980 2.762 2.762 310 2HB TRP 36 2HB TRP 36 8.560 3.913 3.913 311 HD1 TRP 36 HD1 TRP 36 11.456 5.672 5.672 312 HE1 TRP 36 HE1 TRP 36 11.131 7.483 7.483 313 HE3 TRP 36 HE3 TRP 36 7.157 3.708 3.708 314 HZ2 TRP 36 HZ2 TRP 36 9.110 7.865 7.865 315 HZ3 TRP 36 HZ3 TRP 36 6.163 4.734 4.734 316 HH2 TRP 36 HH2 TRP 36 7.068 6.828 6.828 317 H GLU 37 H GLU 37 9.376 4.107 4.107 318 HA GLU 37 HA GLU 37 9.654 1.455 1.455 319 1HB GLU 37 1HB GLU 37 10.571 3.170 3.170 320 2HB GLU 37 2HB GLU 37 9.424 4.383 4.383 321 1HG GLU 37 1HG GLU 37 7.830 3.804 3.804 322 2HG GLU 37 2HG GLU 37 8.191 2.098 2.098 323 H CYS 38 H CYS 38 8.056 0.722 0.722 324 HA CYS 38 HA CYS 38 5.290 1.429 1.429 325 1HB CYS 38 1HB CYS 38 6.389 -0.421 -0.421 326 2HB CYS 38 2HB CYS 38 6.386 -1.482 -1.482 327 H ARG 39 H ARG 39 4.640 2.208 2.208 328 HA ARG 39 HA ARG 39 4.642 0.347 0.347 329 1HB ARG 39 1HB ARG 39 5.372 2.633 2.633 330 2HB ARG 39 2HB ARG 39 4.063 3.350 3.350 331 1HG ARG 39 1HG ARG 39 2.850 1.704 1.704 332 2HG ARG 39 2HG ARG 39 4.159 2.629 2.629 333 1HD ARG 39 1HD ARG 39 2.048 3.973 3.973 334 2HD ARG 39 2HD ARG 39 1.771 3.703 3.703 335 HE ARG 39 HE ARG 39 3.836 5.517 5.517 336 1HH1 ARG 39 1HH1 ARG 39 2.507 4.206 4.206 337 2HH1 ARG 39 2HH1 ARG 39 3.335 5.485 5.485 338 1HH2 ARG 39 1HH2 ARG 39 4.694 6.870 6.870 339 2HH2 ARG 39 2HH2 ARG 39 4.524 6.937 6.937 340 H TYR 40 H TYR 40 3.241 -1.117 -1.117 341 HA TYR 40 HA TYR 40 0.351 -0.371 -0.371 342 1HB TYR 40 1HB TYR 40 1.911 -3.042 -3.042 343 2HB TYR 40 2HB TYR 40 0.183 -3.060 -3.060 344 HD1 TYR 40 HD1 TYR 40 2.871 -2.636 -2.636 345 HD2 TYR 40 HD2 TYR 40 -1.376 -2.856 -2.856 346 HE1 TYR 40 HE1 TYR 40 2.617 -3.895 -3.895 347 HE2 TYR 40 HE2 TYR 40 -1.598 -4.168 -4.168 348 HH TYR 40 HH TYR 40 -0.287 -5.866 -5.866 349 H SER 41 H SER 41 2.552 -1.076 -1.076 350 HA SER 41 HA SER 41 0.519 -0.625 -0.625 351 1HB SER 41 1HB SER 41 0.717 -3.336 -3.336 352 2HB SER 41 2HB SER 41 1.366 -3.374 -3.374 353 HG SER 41 HG SER 41 -0.907 -1.861 -1.861 354 HA PRO 42 HA PRO 42 3.735 -0.260 -0.260 355 1HB PRO 42 1HB PRO 42 4.010 -2.824 -2.824 356 2HB PRO 42 2HB PRO 42 2.881 -1.411 -1.411 357 1HG PRO 42 1HG PRO 42 2.219 -3.779 -3.779 358 2HG PRO 42 2HG PRO 42 1.353 -3.090 -3.090 359 1HD PRO 42 1HD PRO 42 0.700 -2.604 -2.604 360 2HD PRO 42 2HD PRO 42 0.775 -1.200 -1.200 361 H LYS 43 H LYS 43 4.020 -3.532 -3.532 362 HA LYS 43 HA LYS 43 6.805 -2.663 -2.663 363 1HB LYS 43 1HB LYS 43 6.850 -4.155 -4.155 364 2HB LYS 43 2HB LYS 43 6.196 -5.463 -5.463 365 1HG LYS 43 1HG LYS 43 8.610 -4.169 -4.169 366 2HG LYS 43 2HG LYS 43 8.945 -4.817 -4.817 367 1HD LYS 43 1HD LYS 43 7.448 -6.551 -6.551 368 2HD LYS 43 2HD LYS 43 9.175 -6.247 -6.247 369 1HE LYS 43 1HE LYS 43 8.925 -6.819 -6.819 370 2HE LYS 43 2HE LYS 43 7.932 -8.037 -8.037 371 1HZ LYS 43 1HZ LYS 43 10.721 -7.373 -7.373 372 2HZ LYS 43 2HZ LYS 43 10.278 -8.666 -8.666 373 3HZ LYS 43 3HZ LYS 43 9.763 -8.609 -8.609
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