NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20915 | 2gqb | 7079 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -24.559 -6.771 1.904 2 2H MET 1 2HT MET 1 -24.763 -5.648 3.159 3 3H MET 1 3HT MET 1 -23.603 -6.879 3.301 4 HA MET 1 HA MET 1 -23.576 -4.591 1.427 5 1HB MET 1 2HB MET 1 -21.623 -5.394 3.596 6 2HB MET 1 1HB MET 1 -21.524 -3.961 2.587 7 1HG MET 1 2HG MET 1 -23.608 -3.134 3.592 8 2HG MET 1 1HG MET 1 -23.640 -4.548 4.646 9 1HE MET 1 1HE MET 1 -20.515 -1.153 4.821 10 2HE MET 1 2HE MET 1 -21.976 -1.116 3.831 11 3HE MET 1 3HE MET 1 -20.668 -2.230 3.434 12 H SER 2 H SER 2 -20.978 -4.574 0.776 13 HA SER 2 HA SER 2 -20.539 -7.207 -0.451 14 1HB SER 2 2HB SER 2 -19.435 -5.788 -2.332 15 2HB SER 2 1HB SER 2 -21.195 -5.891 -2.279 16 HG SER 2 HG SER 2 -19.854 -3.715 -2.370 17 H ILE 3 H ILE 3 -18.991 -7.982 0.871 18 HA ILE 3 HA ILE 3 -17.198 -6.372 2.300 19 HB ILE 3 HB ILE 3 -16.958 -9.330 1.763 20 1HG1 ILE 3 2HG1 ILE 3 -18.475 -7.734 3.829 21 2HG1 ILE 3 1HG1 ILE 3 -19.124 -8.893 2.676 22 1HG2 ILE 3 1HG2 ILE 3 -15.698 -9.367 3.869 23 2HG2 ILE 3 2HG2 ILE 3 -15.825 -7.611 3.970 24 3HG2 ILE 3 3HG2 ILE 3 -14.908 -8.354 2.661 25 1HD1 ILE 3 1HD1 ILE 3 -17.933 -10.692 3.848 26 2HD1 ILE 3 2HD1 ILE 3 -19.092 -9.852 4.880 27 3HD1 ILE 3 3HD1 ILE 3 -17.368 -9.514 5.031 28 H PHE 4 H PHE 4 -16.857 -7.918 -0.835 29 HA PHE 4 HA PHE 4 -14.062 -7.645 -1.042 30 1HB PHE 4 2HB PHE 4 -14.442 -7.710 -3.526 31 2HB PHE 4 1HB PHE 4 -15.146 -9.053 -2.640 32 HD1 PHE 4 1HD PHE 4 -17.464 -9.468 -2.684 33 HD2 PHE 4 2HD PHE 4 -15.907 -5.897 -4.400 34 HE1 PHE 4 1HE PHE 4 -19.639 -9.038 -3.747 35 HE2 PHE 4 2HE PHE 4 -18.082 -5.457 -5.463 36 HZ PHE 4 HZ PHE 4 -19.953 -7.030 -5.139 37 H GLY 5 H GLY 5 -16.647 -5.364 -1.278 38 1HA GLY 5 2HA GLY 5 -14.851 -3.289 -2.301 39 2HA GLY 5 1HA GLY 5 -16.590 -3.140 -2.069 40 H LYS 6 H LYS 6 -15.762 -4.607 0.641 41 HA LYS 6 HA LYS 6 -15.622 -2.116 2.134 42 1HB LYS 6 2HB LYS 6 -16.108 -4.987 2.952 43 2HB LYS 6 1HB LYS 6 -15.954 -3.677 4.115 44 1HG LYS 6 2HG LYS 6 -17.920 -2.643 3.393 45 2HG LYS 6 1HG LYS 6 -17.947 -3.544 1.881 46 1HD LYS 6 2HD LYS 6 -19.665 -4.363 3.380 47 2HD LYS 6 1HD LYS 6 -18.435 -5.602 3.136 48 1HE LYS 6 2HE LYS 6 -17.498 -5.200 5.284 49 2HE LYS 6 1HE LYS 6 -18.465 -3.741 5.503 50 1HZ LYS 6 1HZ LYS 6 -19.781 -6.362 5.110 51 2HZ LYS 6 2HZ LYS 6 -20.382 -4.961 5.858 52 3HZ LYS 6 3HZ LYS 6 -19.218 -5.901 6.644 53 H ILE 7 H ILE 7 -13.750 -5.045 1.576 54 HA ILE 7 HA ILE 7 -11.691 -4.346 3.441 55 HB ILE 7 HB ILE 7 -10.403 -6.197 2.418 56 1HG1 ILE 7 2HG1 ILE 7 -12.826 -6.513 0.629 57 2HG1 ILE 7 1HG1 ILE 7 -11.254 -5.924 0.102 58 1HG2 ILE 7 1HG2 ILE 7 -13.264 -6.862 3.096 59 2HG2 ILE 7 2HG2 ILE 7 -11.946 -6.628 4.245 60 3HG2 ILE 7 3HG2 ILE 7 -11.908 -7.990 3.126 61 1HD1 ILE 7 1HD1 ILE 7 -11.856 -8.666 1.178 62 2HD1 ILE 7 2HD1 ILE 7 -10.264 -8.083 0.691 63 3HD1 ILE 7 3HD1 ILE 7 -11.552 -8.240 -0.505 64 H MET 8 H MET 8 -12.261 -3.776 0.035 65 HA MET 8 HA MET 8 -9.569 -3.169 -0.637 66 1HB MET 8 2HB MET 8 -10.425 -2.380 -2.753 67 2HB MET 8 1HB MET 8 -11.237 -3.874 -2.316 68 1HG MET 8 2HG MET 8 -12.947 -2.574 -3.146 69 2HG MET 8 1HG MET 8 -13.092 -2.340 -1.403 70 1HE MET 8 1HE MET 8 -14.634 -0.211 -1.886 71 2HE MET 8 2HE MET 8 -14.436 -0.449 -3.622 72 3HE MET 8 3HE MET 8 -14.144 1.139 -2.911 73 H SER 9 H SER 9 -11.979 -1.426 1.004 74 HA SER 9 HA SER 9 -11.195 1.199 0.234 75 1HB SER 9 2HB SER 9 -13.438 0.569 1.205 76 2HB SER 9 1HB SER 9 -12.640 0.387 2.766 77 HG SER 9 HG SER 9 -11.882 2.652 2.304 78 H ALA 10 H ALA 10 -9.800 -1.139 2.231 79 HA ALA 10 HA ALA 10 -8.159 0.868 3.610 80 1HB ALA 10 1HB ALA 10 -9.172 -0.837 5.043 81 2HB ALA 10 2HB ALA 10 -7.410 -0.951 5.051 82 3HB ALA 10 3HB ALA 10 -8.365 -2.097 4.112 83 H ILE 11 H ILE 11 -8.012 -1.961 1.516 84 HA ILE 11 HA ILE 11 -5.224 -2.144 1.252 85 HB ILE 11 HB ILE 11 -7.368 -2.917 -0.734 86 1HG1 ILE 11 2HG1 ILE 11 -5.949 -4.572 1.370 87 2HG1 ILE 11 1HG1 ILE 11 -7.597 -3.970 1.501 88 1HG2 ILE 11 1HG2 ILE 11 -4.484 -3.786 -0.538 89 2HG2 ILE 11 2HG2 ILE 11 -5.194 -2.786 -1.806 90 3HG2 ILE 11 3HG2 ILE 11 -5.686 -4.470 -1.632 91 1HD1 ILE 11 1HD1 ILE 11 -8.240 -5.321 -0.425 92 2HD1 ILE 11 2HD1 ILE 11 -7.558 -6.307 0.867 93 3HD1 ILE 11 3HD1 ILE 11 -6.588 -5.921 -0.554 94 H PHE 12 H PHE 12 -7.638 -0.436 -0.709 95 HA PHE 12 HA PHE 12 -5.507 0.806 -2.277 96 1HB PHE 12 2HB PHE 12 -8.522 0.909 -2.549 97 2HB PHE 12 1HB PHE 12 -7.399 1.743 -3.619 98 HD1 PHE 12 1HD PHE 12 -6.133 0.543 -5.275 99 HD2 PHE 12 2HD PHE 12 -8.719 -1.528 -2.602 100 HE1 PHE 12 1HE PHE 12 -5.981 -1.465 -6.686 101 HE2 PHE 12 2HE PHE 12 -8.567 -3.536 -4.009 102 HZ PHE 12 HZ PHE 12 -7.198 -3.507 -6.055 103 H GLY 13 H GLY 13 -6.183 1.379 0.616 104 1HA GLY 13 2HA GLY 13 -6.629 4.285 0.325 105 2HA GLY 13 1HA GLY 13 -7.284 3.355 1.664 106 H ASP 14 H ASP 14 -4.054 2.930 0.320 107 HA ASP 14 HA ASP 14 -2.869 3.418 2.898 108 1HB ASP 14 2HB ASP 14 -1.856 1.719 1.494 109 2HB ASP 14 1HB ASP 14 -1.607 2.886 0.199 110 H SER 15 H SER 15 -2.831 5.437 3.603 111 HA SER 15 HA SER 15 -1.570 7.449 1.869 112 1HB SER 15 2HB SER 15 -3.984 7.898 3.646 113 2HB SER 15 1HB SER 15 -3.139 9.150 2.735 114 HG SER 15 HG SER 15 -3.805 7.079 1.130 115 H ALA 16 H ALA 16 -1.084 5.631 4.385 116 HA ALA 16 HA ALA 16 -0.293 7.610 6.350 117 1HB ALA 16 1HB ALA 16 0.138 4.627 6.353 118 2HB ALA 16 2HB ALA 16 -1.265 5.449 7.041 119 3HB ALA 16 3HB ALA 16 0.341 5.723 7.718 120 H ALA 17 H ALA 17 0.962 6.940 3.546 121 HA ALA 17 HA ALA 17 2.988 7.097 2.538 122 1HB ALA 17 1HB ALA 17 3.939 8.117 5.215 123 2HB ALA 17 2HB ALA 17 3.227 9.103 3.937 124 3HB ALA 17 3HB ALA 17 4.770 8.296 3.669 125 H ALA 18 H ALA 18 2.167 4.636 3.746 126 HA ALA 18 HA ALA 18 4.652 3.447 4.696 127 1HB ALA 18 1HB ALA 18 2.596 2.832 5.859 128 2HB ALA 18 2HB ALA 18 3.309 1.428 5.065 129 3HB ALA 18 3HB ALA 18 1.910 2.228 4.349 130 H SER 19 H SER 19 2.217 2.213 2.433 131 HA SER 19 HA SER 19 2.368 1.237 0.394 132 1HB SER 19 2HB SER 19 4.693 3.157 0.116 133 2HB SER 19 1HB SER 19 3.885 2.337 -1.219 134 HG SER 19 HG SER 19 2.075 3.585 0.368 135 HA PRO 20 HA PRO 20 5.708 -1.848 0.155 136 1HB PRO 20 2HB PRO 20 6.204 -1.324 -2.684 137 2HB PRO 20 1HB PRO 20 5.605 -2.791 -1.909 138 1HG PRO 20 2HG PRO 20 4.044 -1.205 -3.445 139 2HG PRO 20 1HG PRO 20 3.411 -2.139 -2.080 140 1HD PRO 20 2HD PRO 20 4.039 0.773 -2.260 141 2HD PRO 20 1HD PRO 20 2.715 -0.053 -1.410 142 H GLY 21 H GLY 21 7.332 -0.854 1.328 143 1HA GLY 21 2HA GLY 21 9.538 -0.229 1.550 144 2HA GLY 21 1HA GLY 21 9.646 -0.166 -0.202 145 H GLY 22 H GLY 22 7.368 1.680 1.763 146 1HA GLY 22 2HA GLY 22 8.774 4.123 0.874 147 2HA GLY 22 1HA GLY 22 7.044 4.029 1.172 148 H ALA 23 H ALA 23 7.824 2.294 3.601 149 HA ALA 23 HA ALA 23 7.638 4.405 5.494 150 1HB ALA 23 1HB ALA 23 8.255 1.488 5.959 151 2HB ALA 23 2HB ALA 23 6.643 2.202 5.903 152 3HB ALA 23 3HB ALA 23 7.765 2.652 7.187 153 H GLN 24 H GLN 24 9.151 5.470 6.570 154 HA GLN 24 HA GLN 24 11.956 4.669 6.177 155 1HB GLN 24 2HB GLN 24 12.471 7.074 6.579 156 2HB GLN 24 1HB GLN 24 11.477 6.796 5.153 157 1HG GLN 24 2HG GLN 24 9.478 7.392 6.469 158 2HG GLN 24 1HG GLN 24 10.520 7.754 7.842 159 1HE2 GLN 24 1HE2 GLN 24 8.694 9.462 6.313 160 2HE2 GLN 24 2HE2 GLN 24 9.656 10.791 5.751 161 H ALA 25 H ALA 25 13.414 5.575 7.985 162 HA ALA 25 HA ALA 25 12.179 4.838 10.548 163 1HB ALA 25 1HB ALA 25 14.441 4.370 11.325 164 2HB ALA 25 2HB ALA 25 15.095 4.902 9.775 165 3HB ALA 25 3HB ALA 25 14.079 3.461 9.857 166 HA PRO 26 HA PRO 26 12.337 9.113 11.760 167 1HB PRO 26 2HB PRO 26 12.370 8.027 14.511 168 2HB PRO 26 1HB PRO 26 11.212 9.117 13.745 169 1HG PRO 26 2HG PRO 26 10.581 6.571 14.258 170 2HG PRO 26 1HG PRO 26 10.010 7.388 12.791 171 1HD PRO 26 2HD PRO 26 12.249 5.427 13.120 172 2HD PRO 26 1HD PRO 26 11.045 5.554 11.821 173 H ALA 27 H ALA 27 13.806 10.586 12.581 174 HA ALA 27 HA ALA 27 16.259 9.524 13.803 175 1HB ALA 27 1HB ALA 27 17.630 10.966 12.387 176 2HB ALA 27 2HB ALA 27 16.188 11.501 11.525 177 3HB ALA 27 3HB ALA 27 16.704 9.819 11.419 178 H THR 28 H THR 28 17.417 11.031 15.092 179 HA THR 28 HA THR 28 15.754 12.937 16.425 180 HB THR 28 HB THR 28 17.492 11.631 17.612 181 HG1 THR 28 1HG THR 28 16.742 13.770 18.354 182 1HG2 THR 28 1HG2 THR 28 19.241 11.651 15.914 183 2HG2 THR 28 2HG2 THR 28 19.847 12.302 17.437 184 3HG2 THR 28 3HG2 THR 28 19.435 13.392 16.114 185 H THR 29 H THR 29 16.014 15.189 16.533 186 HA THR 29 HA THR 29 17.456 16.338 14.237 187 HB THR 29 HB THR 29 14.981 16.360 13.962 188 HG1 THR 29 1HG THR 29 15.915 17.976 12.838 189 1HG2 THR 29 1HG2 THR 29 14.340 16.608 16.306 190 2HG2 THR 29 2HG2 THR 29 13.633 17.889 15.321 191 3HG2 THR 29 3HG2 THR 29 15.038 18.228 16.334 192 H GLY 30 H GLY 30 17.043 19.042 14.910 193 1HA GLY 30 2HA GLY 30 17.526 20.444 16.913 194 2HA GLY 30 1HA GLY 30 18.719 19.223 17.344 195 H ALA 31 H ALA 31 20.690 19.173 16.297 196 HA ALA 31 HA ALA 31 21.371 21.509 14.711 197 1HB ALA 31 1HB ALA 31 23.651 20.680 14.805 198 2HB ALA 31 2HB ALA 31 23.094 19.162 15.510 199 3HB ALA 31 3HB ALA 31 22.939 20.665 16.418 200 H ALA 32 H ALA 32 20.203 18.402 14.224 201 HA ALA 32 HA ALA 32 21.446 17.824 11.717 202 1HB ALA 32 1HB ALA 32 20.591 16.055 13.204 203 2HB ALA 32 2HB ALA 32 19.911 15.963 11.579 204 3HB ALA 32 3HB ALA 32 18.948 16.622 12.902 205 H GLY 33 H GLY 33 21.091 19.684 10.476 206 1HA GLY 33 2HA GLY 33 18.371 19.755 9.315 207 2HA GLY 33 1HA GLY 33 19.347 21.205 9.517 208 H THR 34 H THR 34 21.420 18.783 8.819 209 HA THR 34 HA THR 34 21.833 19.774 6.149 210 HB THR 34 HB THR 34 23.787 18.065 6.290 211 HG1 THR 34 1HG THR 34 24.244 17.310 8.305 212 1HG2 THR 34 1HG2 THR 34 25.132 19.674 7.575 213 2HG2 THR 34 2HG2 THR 34 23.655 20.461 8.130 214 3HG2 THR 34 3HG2 THR 34 24.081 20.488 6.418 215 H ALA 35 H ALA 35 20.112 18.982 4.976 216 HA ALA 35 HA ALA 35 20.507 16.482 3.717 217 1HB ALA 35 1HB ALA 35 19.494 15.606 5.780 218 2HB ALA 35 2HB ALA 35 18.464 15.330 4.375 219 3HB ALA 35 3HB ALA 35 18.080 16.624 5.509 220 HA PRO 36 HA PRO 36 18.380 18.906 0.665 221 1HB PRO 36 2HB PRO 36 17.777 16.313 -0.626 222 2HB PRO 36 1HB PRO 36 18.658 17.707 -1.260 223 1HG PRO 36 2HG PRO 36 19.943 15.471 -0.566 224 2HG PRO 36 1HG PRO 36 20.652 17.070 -0.272 225 1HD PRO 36 2HD PRO 36 19.290 15.221 1.651 226 2HD PRO 36 1HD PRO 36 20.744 16.216 1.883 227 H THR 37 H THR 37 16.305 19.508 0.216 228 HA THR 37 HA THR 37 14.170 17.750 1.202 229 HB THR 37 HB THR 37 12.920 19.986 1.627 230 HG1 THR 37 1HG THR 37 14.431 21.649 2.289 231 1HG2 THR 37 1HG2 THR 37 13.790 20.077 3.914 232 2HG2 THR 37 2HG2 THR 37 15.175 19.099 3.428 233 3HG2 THR 37 3HG2 THR 37 13.550 18.412 3.384 234 H ALA 38 H ALA 38 14.129 17.009 -1.018 235 HA ALA 38 HA ALA 38 12.391 18.754 -2.636 236 1HB ALA 38 1HB ALA 38 14.643 18.710 -3.642 237 2HB ALA 38 2HB ALA 38 13.442 17.938 -4.678 238 3HB ALA 38 3HB ALA 38 14.555 16.951 -3.731 239 HA PRO 39 HA PRO 39 10.466 14.666 -1.792 240 1HB PRO 39 2HB PRO 39 8.055 16.042 -1.058 241 2HB PRO 39 1HB PRO 39 9.151 15.135 -0.017 242 1HG PRO 39 2HG PRO 39 8.782 17.864 0.099 243 2HG PRO 39 1HG PRO 39 10.221 17.017 0.692 244 1HD PRO 39 2HD PRO 39 9.809 18.500 -1.873 245 2HD PRO 39 1HD PRO 39 11.246 18.420 -0.830 246 H GLN 40 H GLN 40 10.390 14.196 -3.995 247 HA GLN 40 HA GLN 40 8.164 15.262 -5.520 248 1HB GLN 40 2HB GLN 40 9.005 13.817 -7.353 249 2HB GLN 40 1HB GLN 40 10.210 14.946 -6.758 250 1HG GLN 40 2HG GLN 40 11.273 13.161 -5.493 251 2HG GLN 40 1HG GLN 40 10.053 12.022 -6.065 252 1HE2 GLN 40 1HE2 GLN 40 12.947 11.997 -6.421 253 2HE2 GLN 40 2HE2 GLN 40 13.227 11.985 -8.131 254 HA PRO 41 HA PRO 41 5.339 12.336 -3.867 255 1HB PRO 41 2HB PRO 41 3.946 12.743 -6.461 256 2HB PRO 41 1HB PRO 41 3.336 12.913 -4.811 257 1HG PRO 41 2HG PRO 41 3.870 15.063 -6.275 258 2HG PRO 41 1HG PRO 41 4.261 15.024 -4.545 259 1HD PRO 41 2HD PRO 41 6.071 14.701 -6.906 260 2HD PRO 41 1HD PRO 41 6.354 15.565 -5.382 261 H THR 42 H THR 42 5.019 10.194 -3.953 262 HA THR 42 HA THR 42 6.187 8.755 -6.222 263 HB THR 42 HB THR 42 5.334 7.719 -3.507 264 HG1 THR 42 1HG THR 42 7.352 9.184 -3.980 265 1HG2 THR 42 1HG2 THR 42 6.903 6.371 -5.711 266 2HG2 THR 42 2HG2 THR 42 5.243 5.993 -5.249 267 3HG2 THR 42 3HG2 THR 42 6.565 5.694 -4.120 268 H ALA 43 H ALA 43 4.749 8.459 -7.797 269 HA ALA 43 HA ALA 43 1.948 8.100 -7.271 270 1HB ALA 43 1HB ALA 43 2.718 9.274 -9.277 271 2HB ALA 43 2HB ALA 43 1.729 7.871 -9.687 272 3HB ALA 43 3HB ALA 43 3.484 7.793 -9.849 273 H ALA 44 H ALA 44 0.753 6.200 -8.132 274 HA ALA 44 HA ALA 44 2.214 3.719 -8.211 275 1HB ALA 44 1HB ALA 44 2.042 4.080 -5.801 276 2HB ALA 44 2HB ALA 44 1.055 2.711 -6.308 277 3HB ALA 44 3HB ALA 44 0.294 4.260 -5.945 278 HA PRO 45 HA PRO 45 -1.636 3.531 -10.676 279 1HB PRO 45 2HB PRO 45 -0.489 2.444 -12.849 280 2HB PRO 45 1HB PRO 45 -0.461 4.180 -12.554 281 1HG PRO 45 2HG PRO 45 1.682 2.145 -12.111 282 2HG PRO 45 1HG PRO 45 1.812 3.791 -12.759 283 1HD PRO 45 2HD PRO 45 2.406 3.114 -10.169 284 2HD PRO 45 1HD PRO 45 1.885 4.733 -10.678 285 H SER 46 H SER 46 0.799 1.410 -9.594 286 HA SER 46 HA SER 46 -1.027 -0.879 -9.804 287 1HB SER 46 2HB SER 46 1.120 -1.219 -10.983 288 2HB SER 46 1HB SER 46 1.982 -0.894 -9.484 289 HG SER 46 HG SER 46 1.519 -2.831 -8.774 290 H ILE 47 H ILE 47 -1.733 -1.735 -7.966 291 HA ILE 47 HA ILE 47 -0.723 -0.573 -5.457 292 HB ILE 47 HB ILE 47 -3.413 -1.803 -6.083 293 1HG1 ILE 47 2HG1 ILE 47 -3.141 0.455 -6.964 294 2HG1 ILE 47 1HG1 ILE 47 -4.260 0.468 -5.606 295 1HG2 ILE 47 1HG2 ILE 47 -2.417 -0.681 -3.469 296 2HG2 ILE 47 2HG2 ILE 47 -2.734 -2.380 -3.817 297 3HG2 ILE 47 3HG2 ILE 47 -4.063 -1.222 -3.807 298 1HD1 ILE 47 1HD1 ILE 47 -2.758 2.371 -5.518 299 2HD1 ILE 47 2HD1 ILE 47 -1.366 1.288 -5.516 300 3HD1 ILE 47 3HD1 ILE 47 -2.480 1.292 -4.149 301 H ASP 48 H ASP 48 0.855 -1.917 -4.801 302 HA ASP 48 HA ASP 48 0.770 -4.739 -5.262 303 1HB ASP 48 2HB ASP 48 2.799 -3.008 -4.902 304 2HB ASP 48 1HB ASP 48 2.655 -3.624 -3.258 305 H VAL 49 H VAL 49 -0.658 -5.921 -4.171 306 HA VAL 49 HA VAL 49 -1.744 -4.980 -1.692 307 HB VAL 49 HB VAL 49 -2.250 -7.629 -3.059 308 1HG1 VAL 49 1HG1 VAL 49 -3.908 -6.056 -1.091 309 2HG1 VAL 49 2HG1 VAL 49 -3.066 -7.574 -0.781 310 3HG1 VAL 49 3HG1 VAL 49 -4.420 -7.532 -1.909 311 1HG2 VAL 49 1HG2 VAL 49 -2.643 -5.811 -4.625 312 2HG2 VAL 49 2HG2 VAL 49 -3.672 -4.995 -3.447 313 3HG2 VAL 49 3HG2 VAL 49 -4.169 -6.544 -4.131 314 H ALA 50 H ALA 50 0.805 -7.090 -2.574 315 HA ALA 50 HA ALA 50 0.753 -8.961 -0.512 316 1HB ALA 50 1HB ALA 50 3.193 -7.867 -1.898 317 2HB ALA 50 2HB ALA 50 2.189 -9.197 -2.469 318 3HB ALA 50 3HB ALA 50 3.103 -9.364 -0.971 319 HA PRO 51 HA PRO 51 3.460 -6.184 2.285 320 1HB PRO 51 2HB PRO 51 4.064 -3.651 1.593 321 2HB PRO 51 1HB PRO 51 5.027 -5.028 1.042 322 1HG PRO 51 2HG PRO 51 2.921 -3.479 -0.419 323 2HG PRO 51 1HG PRO 51 4.483 -4.080 -1.008 324 1HD PRO 51 2HD PRO 51 2.104 -5.341 -1.488 325 2HD PRO 51 1HD PRO 51 3.666 -6.178 -1.417 326 H ILE 52 H ILE 52 0.525 -5.715 1.151 327 HA ILE 52 HA ILE 52 -0.188 -3.699 3.164 328 HB ILE 52 HB ILE 52 -1.860 -4.843 0.917 329 1HG1 ILE 52 2HG1 ILE 52 -0.659 -2.089 1.297 330 2HG1 ILE 52 1HG1 ILE 52 -0.086 -3.308 0.161 331 1HG2 ILE 52 1HG2 ILE 52 -2.520 -2.691 2.932 332 2HG2 ILE 52 2HG2 ILE 52 -3.228 -4.305 2.856 333 3HG2 ILE 52 3HG2 ILE 52 -3.522 -3.155 1.552 334 1HD1 ILE 52 1HD1 ILE 52 -2.790 -1.981 0.098 335 2HD1 ILE 52 2HD1 ILE 52 -2.191 -3.178 -1.051 336 3HD1 ILE 52 3HD1 ILE 52 -1.418 -1.598 -0.943 337 H LEU 53 H LEU 53 -1.205 -6.901 1.934 338 HA LEU 53 HA LEU 53 -2.892 -7.317 4.216 339 1HB LEU 53 2HB LEU 53 -2.088 -9.171 1.981 340 2HB LEU 53 1HB LEU 53 -3.229 -9.591 3.245 341 HG LEU 53 HG LEU 53 -3.565 -7.477 1.120 342 1HD1 LEU 53 1HD1 LEU 53 -5.503 -8.829 0.487 343 2HD1 LEU 53 2HD1 LEU 53 -5.096 -9.998 1.743 344 3HD1 LEU 53 3HD1 LEU 53 -4.004 -9.750 0.381 345 1HD2 LEU 53 1HD2 LEU 53 -5.745 -7.019 2.123 346 2HD2 LEU 53 2HD2 LEU 53 -4.429 -6.627 3.231 347 3HD2 LEU 53 3HD2 LEU 53 -5.362 -8.106 3.457 348 H ASP 54 H ASP 54 0.287 -8.493 3.177 349 HA ASP 54 HA ASP 54 0.665 -10.456 5.128 350 1HB ASP 54 2HB ASP 54 2.567 -8.682 3.640 351 2HB ASP 54 1HB ASP 54 3.163 -9.708 4.939 352 H LYS 55 H LYS 55 0.831 -6.996 5.338 353 HA LYS 55 HA LYS 55 2.041 -7.055 7.979 354 1HB LYS 55 2HB LYS 55 0.971 -4.596 6.620 355 2HB LYS 55 1HB LYS 55 2.286 -4.725 7.780 356 1HG LYS 55 2HG LYS 55 2.338 -5.669 4.919 357 2HG LYS 55 1HG LYS 55 3.141 -4.239 5.566 358 1HD LYS 55 2HD LYS 55 4.666 -5.534 6.809 359 2HD LYS 55 1HD LYS 55 3.707 -7.002 6.604 360 1HE LYS 55 2HE LYS 55 4.224 -7.067 4.250 361 2HE LYS 55 1HE LYS 55 5.067 -5.520 4.358 362 1HZ LYS 55 1HZ LYS 55 6.641 -7.321 4.330 363 2HZ LYS 55 2HZ LYS 55 5.892 -8.068 5.654 364 3HZ LYS 55 3HZ LYS 55 6.679 -6.578 5.855 365 H ALA 56 H ALA 56 -1.019 -6.249 6.421 366 HA ALA 56 HA ALA 56 -2.401 -5.337 8.693 367 1HB ALA 56 1HB ALA 56 -3.528 -6.723 6.266 368 2HB ALA 56 2HB ALA 56 -3.202 -4.995 6.408 369 3HB ALA 56 3HB ALA 56 -4.434 -5.749 7.422 370 H VAL 57 H VAL 57 -1.899 -8.570 7.403 371 HA VAL 57 HA VAL 57 -3.709 -9.981 8.982 372 HB VAL 57 HB VAL 57 -1.093 -10.760 7.723 373 1HG1 VAL 57 1HG1 VAL 57 -1.586 -13.102 8.271 374 2HG1 VAL 57 2HG1 VAL 57 -2.922 -12.571 9.295 375 3HG1 VAL 57 3HG1 VAL 57 -1.263 -12.137 9.711 376 1HG2 VAL 57 1HG2 VAL 57 -2.554 -12.115 6.290 377 2HG2 VAL 57 2HG2 VAL 57 -2.982 -10.406 6.238 378 3HG2 VAL 57 3HG2 VAL 57 -3.959 -11.530 7.181 379 H LYS 58 H LYS 58 -0.310 -9.160 9.669 380 HA LYS 58 HA LYS 58 -0.486 -10.428 12.256 381 1HB LYS 58 2HB LYS 58 1.845 -9.837 12.518 382 2HB LYS 58 1HB LYS 58 1.580 -10.556 10.938 383 1HG LYS 58 2HG LYS 58 1.361 -8.034 10.204 384 2HG LYS 58 1HG LYS 58 2.330 -7.777 11.658 385 1HD LYS 58 2HD LYS 58 3.007 -9.468 9.260 386 2HD LYS 58 1HD LYS 58 3.848 -8.030 9.843 387 1HE LYS 58 2HE LYS 58 4.732 -9.161 11.699 388 2HE LYS 58 1HE LYS 58 3.592 -10.497 11.535 389 1HZ LYS 58 1HZ LYS 58 5.609 -11.312 10.738 390 2HZ LYS 58 2HZ LYS 58 5.967 -9.897 9.877 391 3HZ LYS 58 3HZ LYS 58 4.738 -10.932 9.331 392 H ALA 59 H ALA 59 -1.202 -7.392 10.972 393 HA ALA 59 HA ALA 59 -0.934 -5.905 13.413 394 1HB ALA 59 1HB ALA 59 -0.963 -4.762 11.248 395 2HB ALA 59 2HB ALA 59 -2.278 -4.202 12.282 396 3HB ALA 59 3HB ALA 59 -2.611 -5.329 10.966 397 H LYS 60 H LYS 60 -3.376 -7.841 11.822 398 HA LYS 60 HA LYS 60 -5.566 -7.293 13.481 399 1HB LYS 60 2HB LYS 60 -5.665 -8.565 11.338 400 2HB LYS 60 1HB LYS 60 -4.874 -9.919 12.133 401 1HG LYS 60 2HG LYS 60 -7.279 -10.269 11.957 402 2HG LYS 60 1HG LYS 60 -6.775 -10.151 13.645 403 1HD LYS 60 2HD LYS 60 -7.521 -7.827 13.713 404 2HD LYS 60 1HD LYS 60 -7.987 -7.922 12.012 405 1HE LYS 60 2HE LYS 60 -9.866 -8.163 13.661 406 2HE LYS 60 1HE LYS 60 -9.721 -9.462 12.480 407 1HZ LYS 60 1HZ LYS 60 -8.482 -9.705 15.154 408 2HZ LYS 60 2HZ LYS 60 -8.926 -10.931 14.070 409 3HZ LYS 60 3HZ LYS 60 -10.116 -10.077 14.916 410 H GLY 61 H GLY 61 -3.016 -9.764 13.735 411 1HA GLY 61 2HA GLY 61 -2.264 -9.659 16.236 412 2HA GLY 61 1HA GLY 61 -3.878 -10.303 16.485 413 H GLU 62 H GLU 62 -4.061 -12.072 14.360 414 HA GLU 62 HA GLU 62 -2.145 -14.104 15.271 415 1HB GLU 62 2HB GLU 62 -3.865 -15.738 14.482 416 2HB GLU 62 1HB GLU 62 -4.401 -14.712 15.805 417 1HG GLU 62 2HG GLU 62 -5.597 -13.293 14.205 418 2HG GLU 62 1HG GLU 62 -5.081 -14.353 12.894 419 H LYS 63 H LYS 63 -1.266 -15.585 13.727 420 HA LYS 63 HA LYS 63 -0.690 -14.276 11.221 421 1HB LYS 63 2HB LYS 63 0.927 -15.677 12.729 422 2HB LYS 63 1HB LYS 63 0.235 -17.054 11.883 423 1HG LYS 63 2HG LYS 63 1.480 -14.707 10.473 424 2HG LYS 63 1HG LYS 63 2.380 -16.150 10.937 425 1HD LYS 63 2HD LYS 63 1.168 -17.511 9.461 426 2HD LYS 63 1HD LYS 63 -0.110 -16.308 9.267 427 1HE LYS 63 2HE LYS 63 1.402 -14.851 8.072 428 2HE LYS 63 1HE LYS 63 2.735 -15.979 8.324 429 1HZ LYS 63 1HZ LYS 63 1.854 -16.241 6.120 430 2HZ LYS 63 2HZ LYS 63 0.284 -16.457 6.716 431 3HZ LYS 63 3HZ LYS 63 1.472 -17.625 7.025 432 H LEU 64 H LEU 64 -1.691 -14.589 9.392 433 HA LEU 64 HA LEU 64 -3.479 -16.906 9.104 434 1HB LEU 64 2HB LEU 64 -3.958 -14.144 7.994 435 2HB LEU 64 1HB LEU 64 -5.087 -15.487 8.025 436 HG LEU 64 HG LEU 64 -4.060 -14.194 10.544 437 1HD1 LEU 64 1HD1 LEU 64 -6.126 -12.906 10.600 438 2HD1 LEU 64 2HD1 LEU 64 -6.567 -13.527 9.009 439 3HD1 LEU 64 3HD1 LEU 64 -5.155 -12.484 9.190 440 1HD2 LEU 64 1HD2 LEU 64 -6.064 -15.200 11.508 441 2HD2 LEU 64 2HD2 LEU 64 -5.015 -16.418 10.782 442 3HD2 LEU 64 3HD2 LEU 64 -6.472 -15.894 9.941 443 H GLU 65 H GLU 65 -4.153 -17.178 6.716 444 HA GLU 65 HA GLU 65 -1.856 -16.572 4.966 445 1HB GLU 65 2HB GLU 65 -3.358 -19.138 5.325 446 2HB GLU 65 1HB GLU 65 -2.617 -18.770 3.776 447 1HG GLU 65 2HG GLU 65 -1.129 -18.795 6.386 448 2HG GLU 65 1HG GLU 65 -1.228 -20.168 5.283 449 H TRP 66 H TRP 66 -2.882 -14.750 4.142 450 HA TRP 66 HA TRP 66 -5.513 -14.842 3.049 451 1HB TRP 66 2HB TRP 66 -4.989 -12.612 2.135 452 2HB TRP 66 1HB TRP 66 -4.574 -12.730 3.839 453 HD1 TRP 66 HD TRP 66 -2.005 -12.505 4.498 454 HE1 TRP 66 1HE TRP 66 0.066 -11.661 3.202 455 HE3 TRP 66 3HE TRP 66 -3.929 -12.590 -0.244 456 HZ2 TRP 66 2HZ TRP 66 0.771 -11.116 0.531 457 HZ3 TRP 66 3HZ TRP 66 -2.489 -11.891 -2.112 458 HH2 TRP 66 HH TRP 66 -0.186 -11.169 -1.731 459 H ARG 67 H ARG 67 -2.512 -15.888 1.995 460 HA ARG 67 HA ARG 67 -2.648 -15.400 -0.777 461 1HB ARG 67 2HB ARG 67 -1.206 -17.700 0.551 462 2HB ARG 67 1HB ARG 67 -0.797 -16.903 -0.963 463 1HG ARG 67 2HG ARG 67 -0.153 -14.903 0.197 464 2HG ARG 67 1HG ARG 67 -0.719 -15.563 1.731 465 1HD ARG 67 2HD ARG 67 1.543 -15.935 1.884 466 2HD ARG 67 1HD ARG 67 0.984 -17.468 1.217 467 HE ARG 67 HE ARG 67 1.664 -15.748 -0.901 468 1HH1 ARG 67 1HH1 ARG 67 3.148 -17.589 1.675 469 2HH1 ARG 67 2HH1 ARG 67 4.682 -17.725 0.865 470 1HH2 ARG 67 1HH2 ARG 67 3.699 -15.907 -1.964 471 2HH2 ARG 67 2HH2 ARG 67 5.001 -16.771 -1.181 472 H THR 68 H THR 68 -4.023 -17.875 1.266 473 HA THR 68 HA THR 68 -5.112 -19.199 -1.133 474 HB THR 68 HB THR 68 -5.086 -21.327 0.085 475 HG1 THR 68 1HG THR 68 -5.188 -20.844 2.208 476 1HG2 THR 68 1HG2 THR 68 -2.409 -19.933 0.096 477 2HG2 THR 68 2HG2 THR 68 -3.142 -20.765 -1.277 478 3HG2 THR 68 3HG2 THR 68 -2.651 -21.678 0.152 479 H SER 69 H SER 69 -5.673 -18.223 2.208 480 HA SER 69 HA SER 69 -8.371 -19.306 2.164 481 1HB SER 69 2HB SER 69 -6.837 -17.979 4.416 482 2HB SER 69 1HB SER 69 -8.377 -18.825 4.561 483 HG SER 69 HG SER 69 -6.727 -20.214 5.160 484 H ILE 70 H ILE 70 -10.114 -18.107 1.824 485 HA ILE 70 HA ILE 70 -9.788 -15.296 1.286 486 HB ILE 70 HB ILE 70 -11.289 -16.713 -0.081 487 1HG1 ILE 70 2HG1 ILE 70 -13.115 -15.071 -0.231 488 2HG1 ILE 70 1HG1 ILE 70 -12.667 -14.427 1.346 489 1HG2 ILE 70 1HG2 ILE 70 -12.219 -18.136 1.636 490 2HG2 ILE 70 2HG2 ILE 70 -13.514 -17.296 0.781 491 3HG2 ILE 70 3HG2 ILE 70 -13.019 -16.753 2.386 492 1HD1 ILE 70 1HD1 ILE 70 -10.978 -14.372 -1.141 493 2HD1 ILE 70 2HD1 ILE 70 -10.488 -13.771 0.441 494 3HD1 ILE 70 3HD1 ILE 70 -11.829 -13.008 -0.416 495 H VAL 71 H VAL 71 -11.076 -17.247 3.885 496 HA VAL 71 HA VAL 71 -12.491 -15.164 5.203 497 HB VAL 71 HB VAL 71 -11.367 -17.700 6.409 498 1HG1 VAL 71 1HG1 VAL 71 -13.633 -15.911 7.297 499 2HG1 VAL 71 2HG1 VAL 71 -12.059 -16.062 8.079 500 3HG1 VAL 71 3HG1 VAL 71 -13.169 -17.433 8.057 501 1HG2 VAL 71 1HG2 VAL 71 -13.588 -18.672 5.968 502 2HG2 VAL 71 2HG2 VAL 71 -12.753 -18.230 4.478 503 3HG2 VAL 71 3HG2 VAL 71 -14.047 -17.206 5.102 504 H ASP 72 H ASP 72 -9.181 -16.165 5.127 505 HA ASP 72 HA ASP 72 -8.386 -14.992 7.590 506 1HB ASP 72 2HB ASP 72 -6.905 -16.037 5.208 507 2HB ASP 72 1HB ASP 72 -6.049 -15.142 6.459 508 H LEU 73 H LEU 73 -8.161 -13.850 4.212 509 HA LEU 73 HA LEU 73 -6.930 -11.404 4.997 510 1HB LEU 73 2HB LEU 73 -7.458 -10.622 2.712 511 2HB LEU 73 1HB LEU 73 -6.573 -12.132 2.760 512 HG LEU 73 HG LEU 73 -8.998 -13.169 2.519 513 1HD1 LEU 73 1HD1 LEU 73 -9.306 -10.476 1.201 514 2HD1 LEU 73 2HD1 LEU 73 -10.162 -11.015 2.646 515 3HD1 LEU 73 3HD1 LEU 73 -10.439 -11.825 1.104 516 1HD2 LEU 73 1HD2 LEU 73 -7.167 -13.529 0.977 517 2HD2 LEU 73 2HD2 LEU 73 -7.428 -11.940 0.259 518 3HD2 LEU 73 3HD2 LEU 73 -8.653 -13.198 0.088 519 H MET 74 H MET 74 -10.217 -12.475 4.670 520 HA MET 74 HA MET 74 -11.485 -9.959 4.735 521 1HB MET 74 2HB MET 74 -12.654 -12.004 4.079 522 2HB MET 74 1HB MET 74 -12.449 -12.660 5.696 523 1HG MET 74 2HG MET 74 -13.862 -10.912 6.603 524 2HG MET 74 1HG MET 74 -14.042 -10.208 4.997 525 1HE MET 74 1HE MET 74 -14.748 -13.396 7.214 526 2HE MET 74 2HE MET 74 -13.914 -14.040 5.799 527 3HE MET 74 3HE MET 74 -15.618 -14.413 6.066 528 H LYS 75 H LYS 75 -10.779 -12.286 7.334 529 HA LYS 75 HA LYS 75 -11.736 -10.644 9.412 530 1HB LYS 75 2HB LYS 75 -10.696 -12.188 10.932 531 2HB LYS 75 1HB LYS 75 -11.371 -13.112 9.599 532 1HG LYS 75 2HG LYS 75 -9.118 -13.216 8.584 533 2HG LYS 75 1HG LYS 75 -8.478 -12.380 9.996 534 1HD LYS 75 2HD LYS 75 -8.071 -14.708 10.288 535 2HD LYS 75 1HD LYS 75 -9.359 -14.249 11.400 536 1HE LYS 75 2HE LYS 75 -10.968 -15.390 10.224 537 2HE LYS 75 1HE LYS 75 -10.081 -15.292 8.704 538 1HZ LYS 75 1HZ LYS 75 -9.193 -16.948 11.004 539 2HZ LYS 75 2HZ LYS 75 -8.594 -16.978 9.413 540 3HZ LYS 75 3HZ LYS 75 -10.156 -17.546 9.742 541 H ALA 76 H ALA 76 -8.707 -10.775 7.709 542 HA ALA 76 HA ALA 76 -7.021 -9.527 9.575 543 1HB ALA 76 1HB ALA 76 -6.822 -9.461 6.569 544 2HB ALA 76 2HB ALA 76 -6.200 -10.743 7.611 545 3HB ALA 76 3HB ALA 76 -5.524 -9.116 7.712 546 H LEU 77 H LEU 77 -8.909 -8.115 6.881 547 HA LEU 77 HA LEU 77 -8.269 -5.416 7.641 548 1HB LEU 77 2HB LEU 77 -10.340 -6.597 5.802 549 2HB LEU 77 1HB LEU 77 -10.308 -4.882 6.157 550 HG LEU 77 HG LEU 77 -9.208 -5.185 4.078 551 1HD1 LEU 77 1HD1 LEU 77 -6.955 -4.372 4.521 552 2HD1 LEU 77 2HD1 LEU 77 -7.110 -4.849 6.212 553 3HD1 LEU 77 3HD1 LEU 77 -8.142 -3.578 5.557 554 1HD2 LEU 77 1HD2 LEU 77 -7.493 -7.267 5.420 555 2HD2 LEU 77 2HD2 LEU 77 -7.292 -6.673 3.772 556 3HD2 LEU 77 3HD2 LEU 77 -8.748 -7.562 4.214 557 H ASP 78 H ASP 78 -9.929 -7.691 9.138 558 HA ASP 78 HA ASP 78 -11.147 -7.763 11.006 559 1HB ASP 78 2HB ASP 78 -10.005 -5.702 11.759 560 2HB ASP 78 1HB ASP 78 -11.264 -4.746 10.972 561 H ILE 79 H ILE 79 -12.504 -8.693 9.391 562 HA ILE 79 HA ILE 79 -15.076 -7.246 9.279 563 HB ILE 79 HB ILE 79 -14.120 -9.556 7.567 564 1HG1 ILE 79 2HG1 ILE 79 -13.118 -7.357 7.002 565 2HG1 ILE 79 1HG1 ILE 79 -14.145 -7.980 5.723 566 1HG2 ILE 79 1HG2 ILE 79 -16.206 -9.304 6.325 567 2HG2 ILE 79 2HG2 ILE 79 -16.733 -8.056 7.454 568 3HG2 ILE 79 3HG2 ILE 79 -16.514 -9.714 8.013 569 1HD1 ILE 79 1HD1 ILE 79 -15.951 -6.493 6.466 570 2HD1 ILE 79 2HD1 ILE 79 -14.499 -5.615 5.985 571 3HD1 ILE 79 3HD1 ILE 79 -14.873 -5.834 7.696 572 H ASP 80 H ASP 80 -16.935 -8.383 9.945 573 HA ASP 80 HA ASP 80 -16.879 -9.699 12.307 574 1HB ASP 80 2HB ASP 80 -18.885 -10.198 10.101 575 2HB ASP 80 1HB ASP 80 -19.125 -10.570 11.803 576 H SER 81 H SER 81 -17.075 -11.292 9.148 577 HA SER 81 HA SER 81 -16.544 -13.360 8.408 578 1HB SER 81 2HB SER 81 -15.121 -13.748 11.053 579 2HB SER 81 1HB SER 81 -14.889 -14.694 9.580 580 HG SER 81 HG SER 81 -14.241 -11.969 10.033 581 H SER 82 H SER 82 -18.559 -12.701 10.854 582 HA SER 82 HA SER 82 -19.293 -15.349 11.667 583 1HB SER 82 2HB SER 82 -20.817 -12.756 12.006 584 2HB SER 82 1HB SER 82 -21.055 -14.246 12.918 585 HG SER 82 HG SER 82 -18.779 -13.958 13.570 586 H LEU 83 H LEU 83 -22.172 -14.940 11.547 587 HA LEU 83 HA LEU 83 -22.603 -16.293 9.111 588 1HB LEU 83 2HB LEU 83 -23.925 -16.387 11.335 589 2HB LEU 83 1HB LEU 83 -24.799 -15.006 10.705 590 HG LEU 83 HG LEU 83 -25.945 -17.202 10.365 591 1HD1 LEU 83 1HD1 LEU 83 -26.478 -15.292 8.929 592 2HD1 LEU 83 2HD1 LEU 83 -26.587 -16.819 8.051 593 3HD1 LEU 83 3HD1 LEU 83 -25.188 -15.768 7.823 594 1HD2 LEU 83 1HD2 LEU 83 -23.623 -17.695 8.511 595 2HD2 LEU 83 2HD2 LEU 83 -25.101 -18.656 8.560 596 3HD2 LEU 83 3HD2 LEU 83 -24.034 -18.610 9.963 597 H SER 84 H SER 84 -23.604 -13.009 10.141 598 HA SER 84 HA SER 84 -24.985 -12.400 7.782 599 1HB SER 84 2HB SER 84 -23.568 -10.447 9.601 600 2HB SER 84 1HB SER 84 -24.921 -10.098 8.523 601 HG SER 84 HG SER 84 -26.255 -11.341 9.798 602 H ALA 85 H ALA 85 -21.597 -11.901 8.647 603 HA ALA 85 HA ALA 85 -20.927 -10.334 6.399 604 1HB ALA 85 1HB ALA 85 -19.139 -12.069 8.089 605 2HB ALA 85 2HB ALA 85 -19.567 -10.392 8.421 606 3HB ALA 85 3HB ALA 85 -18.615 -10.788 6.992 607 H ARG 86 H ARG 86 -20.531 -13.817 7.028 608 HA ARG 86 HA ARG 86 -19.304 -14.363 4.533 609 1HB ARG 86 2HB ARG 86 -19.502 -16.670 5.089 610 2HB ARG 86 1HB ARG 86 -19.184 -15.819 6.592 611 1HG ARG 86 2HG ARG 86 -21.610 -15.902 7.100 612 2HG ARG 86 1HG ARG 86 -21.843 -16.870 5.643 613 1HD ARG 86 2HD ARG 86 -21.725 -18.339 7.539 614 2HD ARG 86 1HD ARG 86 -20.266 -18.545 6.571 615 HE ARG 86 HE ARG 86 -19.932 -16.627 8.665 616 1HH1 ARG 86 1HH1 ARG 86 -19.953 -20.065 7.980 617 2HH1 ARG 86 2HH1 ARG 86 -18.895 -20.461 9.300 618 1HH2 ARG 86 1HH2 ARG 86 -18.519 -17.157 10.389 619 2HH2 ARG 86 2HH2 ARG 86 -18.095 -18.817 10.665 620 H LYS 87 H LYS 87 -22.567 -13.932 5.523 621 HA LYS 87 HA LYS 87 -23.763 -15.361 3.348 622 1HB LYS 87 2HB LYS 87 -24.856 -14.913 5.595 623 2HB LYS 87 1HB LYS 87 -25.071 -13.249 5.068 624 1HG LYS 87 2HG LYS 87 -27.112 -14.379 4.671 625 2HG LYS 87 1HG LYS 87 -26.346 -14.138 3.099 626 1HD LYS 87 2HD LYS 87 -27.122 -16.359 3.061 627 2HD LYS 87 1HD LYS 87 -25.393 -16.486 3.388 628 1HE LYS 87 2HE LYS 87 -26.469 -17.995 4.862 629 2HE LYS 87 1HE LYS 87 -25.977 -16.608 5.833 630 1HZ LYS 87 1HZ LYS 87 -28.225 -17.314 6.370 631 2HZ LYS 87 2HZ LYS 87 -28.705 -17.087 4.760 632 3HZ LYS 87 3HZ LYS 87 -28.234 -15.757 5.697 633 H GLU 88 H GLU 88 -23.194 -11.920 4.109 634 HA GLU 88 HA GLU 88 -24.487 -10.999 1.765 635 1HB GLU 88 2HB GLU 88 -23.450 -8.810 2.255 636 2HB GLU 88 1HB GLU 88 -24.276 -9.505 3.639 637 1HG GLU 88 2HG GLU 88 -22.170 -10.136 4.628 638 2HG GLU 88 1HG GLU 88 -21.300 -9.584 3.196 639 H LEU 89 H LEU 89 -21.040 -11.470 2.528 640 HA LEU 89 HA LEU 89 -20.000 -10.491 0.128 641 1HB LEU 89 2HB LEU 89 -18.567 -10.946 2.011 642 2HB LEU 89 1HB LEU 89 -18.977 -12.650 1.970 643 HG LEU 89 HG LEU 89 -17.792 -12.911 -0.148 644 1HD1 LEU 89 1HD1 LEU 89 -18.182 -10.698 -1.088 645 2HD1 LEU 89 2HD1 LEU 89 -16.461 -11.080 -1.075 646 3HD1 LEU 89 3HD1 LEU 89 -17.127 -9.984 0.131 647 1HD2 LEU 89 1HD2 LEU 89 -16.560 -13.210 1.938 648 2HD2 LEU 89 2HD2 LEU 89 -16.138 -11.497 1.940 649 3HD2 LEU 89 3HD2 LEU 89 -15.521 -12.555 0.672 650 H ALA 90 H ALA 90 -21.056 -13.756 0.994 651 HA ALA 90 HA ALA 90 -20.266 -14.948 -1.440 652 1HB ALA 90 1HB ALA 90 -21.608 -16.858 -0.736 653 2HB ALA 90 2HB ALA 90 -22.335 -15.880 0.542 654 3HB ALA 90 3HB ALA 90 -20.610 -16.251 0.584 655 H LYS 91 H LYS 91 -23.369 -13.580 -0.347 656 HA LYS 91 HA LYS 91 -24.772 -14.572 -2.628 657 1HB LYS 91 2HB LYS 91 -26.699 -13.463 -1.808 658 2HB LYS 91 1HB LYS 91 -25.839 -14.080 -0.408 659 1HG LYS 91 2HG LYS 91 -24.968 -11.861 0.059 660 2HG LYS 91 1HG LYS 91 -25.771 -11.233 -1.383 661 1HD LYS 91 2HD LYS 91 -27.941 -12.030 -0.391 662 2HD LYS 91 1HD LYS 91 -27.054 -12.356 1.098 663 1HE LYS 91 2HE LYS 91 -26.419 -10.017 1.258 664 2HE LYS 91 1HE LYS 91 -27.228 -9.675 -0.270 665 1HZ LYS 91 1HZ LYS 91 -28.693 -9.024 1.444 666 2HZ LYS 91 2HZ LYS 91 -28.478 -10.469 2.304 667 3HZ LYS 91 3HZ LYS 91 -29.321 -10.475 0.833 668 H GLU 92 H GLU 92 -23.018 -11.641 -1.959 669 HA GLU 92 HA GLU 92 -24.039 -10.150 -4.160 670 1HB GLU 92 2HB GLU 92 -21.384 -9.937 -2.722 671 2HB GLU 92 1HB GLU 92 -21.981 -8.777 -3.899 672 1HG GLU 92 2HG GLU 92 -23.266 -9.427 -1.255 673 2HG GLU 92 1HG GLU 92 -22.300 -7.998 -1.612 674 H LEU 93 H LEU 93 -21.672 -12.655 -3.815 675 HA LEU 93 HA LEU 93 -20.599 -12.215 -6.487 676 1HB LEU 93 2HB LEU 93 -19.923 -14.276 -4.389 677 2HB LEU 93 1HB LEU 93 -19.096 -14.096 -5.923 678 HG LEU 93 HG LEU 93 -19.197 -11.966 -3.786 679 1HD1 LEU 93 1HD1 LEU 93 -17.936 -13.894 -3.019 680 2HD1 LEU 93 2HD1 LEU 93 -16.852 -12.552 -3.385 681 3HD1 LEU 93 3HD1 LEU 93 -17.003 -13.898 -4.513 682 1HD2 LEU 93 1HD2 LEU 93 -17.422 -10.922 -5.120 683 2HD2 LEU 93 2HD2 LEU 93 -18.924 -11.071 -6.030 684 3HD2 LEU 93 3HD2 LEU 93 -17.597 -12.190 -6.334 685 H GLY 94 H GLY 94 -22.963 -14.175 -4.915 686 1HA GLY 94 2HA GLY 94 -24.433 -15.049 -6.909 687 2HA GLY 94 1HA GLY 94 -23.024 -16.075 -7.145 688 H TYR 95 H TYR 95 -22.430 -16.393 -4.371 689 HA TYR 95 HA TYR 95 -22.898 -17.618 -2.533 690 1HB TYR 95 2HB TYR 95 -24.870 -16.276 -2.169 691 2HB TYR 95 1HB TYR 95 -25.778 -17.201 -3.359 692 HD1 TYR 95 1HD TYR 95 -27.177 -18.870 -2.601 693 HD2 TYR 95 2HD TYR 95 -23.879 -17.716 -0.174 694 HE1 TYR 95 1HE TYR 95 -27.948 -20.399 -0.838 695 HE2 TYR 95 2HE TYR 95 -24.641 -19.243 1.597 696 HH TYR 95 HH TYR 95 -26.712 -20.325 2.330 697 H SER 96 H SER 96 -22.423 -19.651 -2.341 698 HA SER 96 HA SER 96 -23.972 -21.672 -3.776 699 1HB SER 96 2HB SER 96 -21.825 -21.212 -5.022 700 2HB SER 96 1HB SER 96 -20.944 -21.727 -3.584 701 HG SER 96 HG SER 96 -22.882 -23.495 -4.482 702 H GLY 97 H GLY 97 -24.917 -22.716 -2.113 703 1HA GLY 97 2HA GLY 97 -23.194 -23.714 0.041 704 2HA GLY 97 1HA GLY 97 -24.566 -22.716 0.488 705 H ASP 98 H ASP 98 -23.999 -25.429 -1.741 706 HA ASP 98 HA ASP 98 -26.513 -26.604 -0.794 707 1HB ASP 98 2HB ASP 98 -26.272 -26.413 -3.229 708 2HB ASP 98 1HB ASP 98 -24.799 -27.376 -3.165 709 H MET 99 H MET 99 -23.808 -28.436 -2.088 710 HA MET 99 HA MET 99 -23.621 -29.851 0.495 711 1HB MET 99 2HB MET 99 -22.882 -31.801 -0.731 712 2HB MET 99 1HB MET 99 -24.383 -31.220 -1.440 713 1HG MET 99 2HG MET 99 -23.168 -30.192 -3.254 714 2HG MET 99 1HG MET 99 -21.634 -30.647 -2.519 715 1HE MET 99 1HE MET 99 -22.224 -31.292 -5.525 716 2HE MET 99 2HE MET 99 -21.658 -32.961 -5.623 717 3HE MET 99 3HE MET 99 -20.758 -31.775 -4.675 718 H ASN 100 H ASN 100 -22.102 -27.572 -1.257 719 HA ASN 100 HA ASN 100 -19.439 -28.495 -1.429 720 1HB ASN 100 2HB ASN 100 -18.906 -26.053 -1.752 721 2HB ASN 100 1HB ASN 100 -20.106 -26.709 -2.859 722 1HD2 ASN 100 1HD2 ASN 100 -19.531 -24.558 -0.193 723 2HD2 ASN 100 2HD2 ASN 100 -21.053 -23.741 -0.277 724 H ASP 101 H ASP 101 -21.268 -27.036 1.130 725 HA ASP 101 HA ASP 101 -20.790 -26.429 3.266 726 1HB ASP 101 2HB ASP 101 -20.012 -28.910 3.108 727 2HB ASP 101 1HB ASP 101 -18.383 -28.241 3.155 728 H SER 102 H SER 102 -18.197 -26.240 4.565 729 HA SER 102 HA SER 102 -17.402 -23.679 3.515 730 1HB SER 102 2HB SER 102 -16.138 -25.302 5.742 731 2HB SER 102 1HB SER 102 -15.930 -23.575 5.443 732 HG SER 102 HG SER 102 -17.797 -24.769 6.890 733 H ALA 103 H ALA 103 -16.475 -26.907 3.000 734 HA ALA 103 HA ALA 103 -13.716 -26.756 2.605 735 1HB ALA 103 1HB ALA 103 -13.967 -28.798 1.285 736 2HB ALA 103 2HB ALA 103 -15.708 -28.528 1.192 737 3HB ALA 103 3HB ALA 103 -14.951 -28.866 2.747 738 H SER 104 H SER 104 -16.226 -26.760 0.058 739 HA SER 104 HA SER 104 -14.354 -25.699 -1.852 740 1HB SER 104 2HB SER 104 -17.343 -26.087 -2.108 741 2HB SER 104 1HB SER 104 -16.206 -25.819 -3.431 742 HG SER 104 HG SER 104 -16.774 -28.055 -3.083 743 H MET 105 H MET 105 -16.438 -24.402 0.484 744 HA MET 105 HA MET 105 -17.247 -22.012 -0.773 745 1HB MET 105 2HB MET 105 -18.280 -22.906 1.294 746 2HB MET 105 1HB MET 105 -16.809 -22.511 2.172 747 1HG MET 105 2HG MET 105 -17.143 -20.140 1.662 748 2HG MET 105 1HG MET 105 -18.629 -20.542 0.800 749 1HE MET 105 1HE MET 105 -20.082 -18.877 2.235 750 2HE MET 105 2HE MET 105 -18.606 -18.368 3.056 751 3HE MET 105 3HE MET 105 -20.031 -18.811 3.996 752 H ASN 106 H ASN 106 -14.442 -22.784 1.268 753 HA ASN 106 HA ASN 106 -13.328 -20.200 1.347 754 1HB ASN 106 2HB ASN 106 -12.542 -21.995 2.812 755 2HB ASN 106 1HB ASN 106 -11.951 -22.896 1.422 756 1HD2 ASN 106 1HD2 ASN 106 -9.838 -22.953 1.935 757 2HD2 ASN 106 2HD2 ASN 106 -8.820 -21.556 2.042 758 H ILE 107 H ILE 107 -12.988 -22.837 -0.960 759 HA ILE 107 HA ILE 107 -10.910 -21.702 -2.503 760 HB ILE 107 HB ILE 107 -13.003 -23.686 -3.413 761 1HG1 ILE 107 2HG1 ILE 107 -10.287 -24.236 -2.207 762 2HG1 ILE 107 1HG1 ILE 107 -11.807 -24.356 -1.325 763 1HG2 ILE 107 1HG2 ILE 107 -11.736 -22.714 -5.245 764 2HG2 ILE 107 2HG2 ILE 107 -11.275 -24.397 -5.004 765 3HG2 ILE 107 3HG2 ILE 107 -10.221 -23.106 -4.431 766 1HD1 ILE 107 1HD1 ILE 107 -12.553 -26.092 -2.882 767 2HD1 ILE 107 2HD1 ILE 107 -11.068 -26.538 -2.041 768 3HD1 ILE 107 3HD1 ILE 107 -11.001 -25.994 -3.718 769 H TRP 108 H TRP 108 -14.332 -22.120 -3.363 770 HA TRP 108 HA TRP 108 -14.252 -20.684 -5.737 771 1HB TRP 108 2HB TRP 108 -16.056 -22.220 -5.181 772 2HB TRP 108 1HB TRP 108 -16.569 -21.182 -3.858 773 HD1 TRP 108 HD TRP 108 -16.721 -21.484 -7.663 774 HE1 TRP 108 1HE TRP 108 -18.477 -19.827 -8.557 775 HE3 TRP 108 3HE TRP 108 -17.713 -18.949 -3.330 776 HZ2 TRP 108 2HZ TRP 108 -20.069 -17.714 -7.544 777 HZ3 TRP 108 3HZ TRP 108 -19.356 -17.124 -3.383 778 HH2 TRP 108 HH TRP 108 -20.501 -16.519 -5.441 779 H LEU 109 H LEU 109 -15.061 -19.578 -2.476 780 HA LEU 109 HA LEU 109 -15.946 -17.006 -3.248 781 1HB LEU 109 2HB LEU 109 -16.363 -18.220 -1.042 782 2HB LEU 109 1HB LEU 109 -14.747 -17.732 -0.577 783 HG LEU 109 HG LEU 109 -15.443 -15.349 -0.884 784 1HD1 LEU 109 1HD1 LEU 109 -18.174 -16.591 -1.176 785 2HD1 LEU 109 2HD1 LEU 109 -17.296 -15.687 -2.409 786 3HD1 LEU 109 3HD1 LEU 109 -17.851 -14.873 -0.946 787 1HD2 LEU 109 1HD2 LEU 109 -17.080 -16.932 1.095 788 2HD2 LEU 109 2HD2 LEU 109 -16.659 -15.222 1.206 789 3HD2 LEU 109 3HD2 LEU 109 -15.398 -16.449 1.319 790 H HIS 110 H HIS 110 -12.804 -18.291 -2.229 791 HA HIS 110 HA HIS 110 -11.431 -15.842 -2.044 792 1HB HIS 110 2HB HIS 110 -10.587 -18.045 -1.188 793 2HB HIS 110 1HB HIS 110 -10.262 -18.517 -2.851 794 HD1 HIS 110 1HD HIS 110 -7.940 -18.115 -3.588 795 HD2 HIS 110 2HD HIS 110 -9.010 -15.597 -0.460 796 HE1 HIS 110 1HE HIS 110 -5.865 -16.809 -3.032 797 HE2 HIS 110 2HE HIS 110 -6.490 -15.431 -1.021 798 H LYS 111 H LYS 111 -12.148 -17.939 -4.764 799 HA LYS 111 HA LYS 111 -10.430 -16.706 -6.653 800 1HB LYS 111 2HB LYS 111 -13.053 -18.074 -7.282 801 2HB LYS 111 1HB LYS 111 -11.647 -17.921 -8.324 802 1HG LYS 111 2HG LYS 111 -11.792 -19.560 -5.803 803 2HG LYS 111 1HG LYS 111 -11.890 -20.182 -7.450 804 1HD LYS 111 2HD LYS 111 -9.632 -19.472 -7.901 805 2HD LYS 111 1HD LYS 111 -9.534 -18.672 -6.332 806 1HE LYS 111 2HE LYS 111 -9.755 -20.822 -5.204 807 2HE LYS 111 1HE LYS 111 -9.901 -21.637 -6.759 808 1HZ LYS 111 1HZ LYS 111 -7.617 -21.505 -5.514 809 2HZ LYS 111 2HZ LYS 111 -7.521 -19.986 -6.272 810 3HZ LYS 111 3HZ LYS 111 -7.690 -21.393 -7.203 811 H GLN 112 H GLN 112 -13.919 -16.379 -6.072 812 HA GLN 112 HA GLN 112 -14.364 -14.468 -8.087 813 1HB GLN 112 2HB GLN 112 -15.914 -15.749 -5.981 814 2HB GLN 112 1HB GLN 112 -16.394 -14.079 -6.242 815 1HG GLN 112 2HG GLN 112 -17.744 -15.542 -7.591 816 2HG GLN 112 1HG GLN 112 -16.719 -14.550 -8.623 817 1HE2 GLN 112 1HE2 GLN 112 -15.640 -17.383 -6.842 818 2HE2 GLN 112 2HE2 GLN 112 -15.323 -18.356 -8.235 819 H VAL 113 H VAL 113 -13.816 -14.073 -4.589 820 HA VAL 113 HA VAL 113 -14.302 -11.327 -4.455 821 HB VAL 113 HB VAL 113 -12.410 -13.001 -2.793 822 1HG1 VAL 113 1HG1 VAL 113 -11.761 -10.647 -2.673 823 2HG1 VAL 113 2HG1 VAL 113 -12.470 -11.189 -1.153 824 3HG1 VAL 113 3HG1 VAL 113 -13.420 -10.203 -2.263 825 1HG2 VAL 113 1HG2 VAL 113 -14.205 -12.935 -1.136 826 2HG2 VAL 113 2HG2 VAL 113 -14.745 -13.676 -2.642 827 3HG2 VAL 113 3HG2 VAL 113 -15.211 -12.019 -2.257 828 H MET 114 H MET 114 -11.334 -13.087 -5.278 829 HA MET 114 HA MET 114 -9.648 -10.813 -5.299 830 1HB MET 114 2HB MET 114 -9.372 -13.472 -6.700 831 2HB MET 114 1HB MET 114 -8.128 -12.232 -6.720 832 1HG MET 114 2HG MET 114 -8.025 -12.352 -4.255 833 2HG MET 114 1HG MET 114 -9.191 -13.671 -4.301 834 1HE MET 114 1HE MET 114 -8.147 -15.118 -7.042 835 2HE MET 114 2HE MET 114 -8.716 -15.970 -5.605 836 3HE MET 114 3HE MET 114 -7.156 -16.383 -6.318 837 H SER 115 H SER 115 -11.680 -12.316 -7.722 838 HA SER 115 HA SER 115 -10.708 -10.904 -9.959 839 1HB SER 115 2HB SER 115 -12.110 -12.979 -10.048 840 2HB SER 115 1HB SER 115 -13.497 -12.011 -9.553 841 HG SER 115 HG SER 115 -11.998 -11.196 -11.781 842 H LYS 116 H LYS 116 -12.864 -10.011 -7.385 843 HA LYS 116 HA LYS 116 -13.768 -7.630 -8.833 844 1HB LYS 116 2HB LYS 116 -14.464 -8.350 -5.993 845 2HB LYS 116 1HB LYS 116 -15.337 -7.290 -7.085 846 1HG LYS 116 2HG LYS 116 -15.107 -10.275 -7.318 847 2HG LYS 116 1HG LYS 116 -16.510 -9.377 -6.744 848 1HD LYS 116 2HD LYS 116 -16.634 -8.273 -8.972 849 2HD LYS 116 1HD LYS 116 -15.334 -9.337 -9.519 850 1HE LYS 116 2HE LYS 116 -16.742 -11.286 -8.916 851 2HE LYS 116 1HE LYS 116 -18.049 -10.176 -8.511 852 1HZ LYS 116 1HZ LYS 116 -16.849 -10.675 -11.176 853 2HZ LYS 116 2HZ LYS 116 -17.863 -9.352 -10.863 854 3HZ LYS 116 3HZ LYS 116 -18.453 -10.932 -10.685 855 H LEU 117 H LEU 117 -11.228 -8.567 -6.892 856 HA LEU 117 HA LEU 117 -11.089 -6.060 -5.383 857 1HB LEU 117 2HB LEU 117 -10.980 -8.131 -4.092 858 2HB LEU 117 1HB LEU 117 -9.603 -8.664 -5.033 859 HG LEU 117 HG LEU 117 -8.299 -6.740 -4.126 860 1HD1 LEU 117 1HD1 LEU 117 -9.174 -5.574 -2.159 861 2HD1 LEU 117 2HD1 LEU 117 -10.726 -6.380 -2.381 862 3HD1 LEU 117 3HD1 LEU 117 -10.135 -5.252 -3.601 863 1HD2 LEU 117 1HD2 LEU 117 -9.479 -8.614 -2.078 864 2HD2 LEU 117 2HD2 LEU 117 -7.974 -7.711 -1.907 865 3HD2 LEU 117 3HD2 LEU 117 -8.116 -8.962 -3.141 866 H VAL 118 H VAL 118 -8.762 -8.254 -6.989 867 HA VAL 118 HA VAL 118 -6.809 -6.144 -7.059 868 HB VAL 118 HB VAL 118 -5.364 -7.783 -8.228 869 1HG1 VAL 118 1HG1 VAL 118 -5.127 -9.314 -6.327 870 2HG1 VAL 118 2HG1 VAL 118 -6.703 -8.800 -5.723 871 3HG1 VAL 118 3HG1 VAL 118 -5.368 -7.649 -5.795 872 1HG2 VAL 118 1HG2 VAL 118 -7.736 -9.622 -7.927 873 2HG2 VAL 118 2HG2 VAL 118 -6.119 -10.108 -8.434 874 3HG2 VAL 118 3HG2 VAL 118 -7.069 -9.020 -9.446 875 H ALA 119 H ALA 119 -9.388 -6.915 -9.017 876 HA ALA 119 HA ALA 119 -8.287 -6.296 -11.566 877 1HB ALA 119 1HB ALA 119 -10.400 -7.532 -11.282 878 2HB ALA 119 2HB ALA 119 -10.582 -6.120 -12.324 879 3HB ALA 119 3HB ALA 119 -11.154 -6.065 -10.656 880 H ASN 120 H ASN 120 -9.136 -4.413 -8.846 881 HA ASN 120 HA ASN 120 -9.683 -1.981 -10.323 882 1HB ASN 120 2HB ASN 120 -9.223 -2.316 -7.350 883 2HB ASN 120 1HB ASN 120 -9.925 -0.917 -8.153 884 1HD2 ASN 120 1HD2 ASN 120 -10.473 -4.078 -6.934 885 2HD2 ASN 120 2HD2 ASN 120 -12.178 -4.141 -7.232 886 H GLY 121 H GLY 121 -6.969 -3.486 -10.272 887 1HA GLY 121 2HA GLY 121 -4.990 -2.278 -11.014 888 2HA GLY 121 1HA GLY 121 -5.355 -1.053 -9.807 889 H GLY 122 H GLY 122 -6.004 -4.000 -8.476 890 1HA GLY 122 2HA GLY 122 -3.832 -3.869 -6.657 891 2HA GLY 122 1HA GLY 122 -5.010 -5.168 -6.776 892 H LYS 123 H LYS 123 -1.937 -4.820 -6.631 893 HA LYS 123 HA LYS 123 -1.251 -6.676 -8.808 894 1HB LYS 123 2HB LYS 123 -0.022 -4.480 -8.609 895 2HB LYS 123 1HB LYS 123 0.594 -5.029 -7.062 896 1HG LYS 123 2HG LYS 123 1.072 -6.567 -9.593 897 2HG LYS 123 1HG LYS 123 2.114 -5.236 -9.096 898 1HD LYS 123 2HD LYS 123 2.264 -6.536 -6.850 899 2HD LYS 123 1HD LYS 123 1.695 -7.906 -7.806 900 1HE LYS 123 2HE LYS 123 4.095 -7.954 -7.733 901 2HE LYS 123 1HE LYS 123 3.589 -7.526 -9.369 902 1HZ LYS 123 1HZ LYS 123 4.059 -5.225 -8.911 903 2HZ LYS 123 2HZ LYS 123 5.431 -6.147 -8.547 904 3HZ LYS 123 3HZ LYS 123 4.439 -5.573 -7.292 905 H LEU 124 H LEU 124 -0.719 -8.710 -8.289 906 HA LEU 124 HA LEU 124 -0.531 -9.348 -5.434 907 1HB LEU 124 2HB LEU 124 -1.207 -11.724 -6.264 908 2HB LEU 124 1HB LEU 124 -2.425 -10.497 -5.997 909 HG LEU 124 HG LEU 124 -2.750 -11.944 -8.019 910 1HD1 LEU 124 1HD1 LEU 124 -3.924 -9.856 -7.842 911 2HD1 LEU 124 2HD1 LEU 124 -3.418 -10.117 -9.511 912 3HD1 LEU 124 3HD1 LEU 124 -2.540 -8.980 -8.492 913 1HD2 LEU 124 1HD2 LEU 124 -0.391 -10.411 -9.096 914 2HD2 LEU 124 2HD2 LEU 124 -1.486 -11.409 -10.053 915 3HD2 LEU 124 3HD2 LEU 124 -0.481 -12.147 -8.805 916 HA PRO 125 HA PRO 125 3.476 -11.188 -6.029 917 1HB PRO 125 2HB PRO 125 3.142 -13.342 -4.315 918 2HB PRO 125 1HB PRO 125 3.689 -11.734 -3.839 919 1HG PRO 125 2HG PRO 125 0.999 -12.970 -3.599 920 2HG PRO 125 1HG PRO 125 1.812 -11.825 -2.521 921 1HD PRO 125 2HD PRO 125 -0.168 -11.095 -4.217 922 2HD PRO 125 1HD PRO 125 1.155 -10.005 -3.751 923 HA PRO 126 HA PRO 126 3.058 -13.891 -9.286 924 1HB PRO 126 2HB PRO 126 5.314 -15.544 -8.326 925 2HB PRO 126 1HB PRO 126 5.148 -14.606 -9.815 926 1HG PRO 126 2HG PRO 126 6.721 -13.748 -7.848 927 2HG PRO 126 1HG PRO 126 5.726 -12.610 -8.777 928 1HD PRO 126 2HD PRO 126 5.243 -13.756 -6.051 929 2HD PRO 126 1HD PRO 126 5.034 -12.087 -6.627 930 H GLU 127 H GLU 127 2.557 -15.340 -6.237 931 HA GLU 127 HA GLU 127 1.869 -17.866 -7.574 932 1HB GLU 127 2HB GLU 127 1.935 -18.958 -5.374 933 2HB GLU 127 1HB GLU 127 3.475 -18.248 -5.819 934 1HG GLU 127 2HG GLU 127 1.540 -16.838 -4.023 935 2HG GLU 127 1HG GLU 127 2.704 -18.012 -3.415 936 H ILE 128 H ILE 128 0.472 -15.093 -6.368 937 HA ILE 128 HA ILE 128 -2.046 -16.470 -5.801 938 HB ILE 128 HB ILE 128 -1.241 -13.581 -5.451 939 1HG1 ILE 128 2HG1 ILE 128 -2.025 -14.103 -3.079 940 2HG1 ILE 128 1HG1 ILE 128 -2.059 -15.791 -3.568 941 1HG2 ILE 128 1HG2 ILE 128 -3.516 -13.625 -6.328 942 2HG2 ILE 128 2HG2 ILE 128 -3.497 -13.130 -4.635 943 3HG2 ILE 128 3HG2 ILE 128 -3.988 -14.768 -5.068 944 1HD1 ILE 128 1HD1 ILE 128 0.318 -15.710 -4.047 945 2HD1 ILE 128 2HD1 ILE 128 -0.023 -15.248 -2.379 946 3HD1 ILE 128 3HD1 ILE 128 0.357 -14.010 -3.578 947 H LYS 129 H LYS 129 -2.906 -17.115 -7.654 948 HA LYS 129 HA LYS 129 -3.897 -15.110 -9.470 949 1HB LYS 129 2HB LYS 129 -1.624 -15.652 -10.374 950 2HB LYS 129 1HB LYS 129 -2.126 -17.327 -10.533 951 1HG LYS 129 2HG LYS 129 -2.504 -16.627 -12.655 952 2HG LYS 129 1HG LYS 129 -4.071 -16.240 -11.951 953 1HD LYS 129 2HD LYS 129 -1.791 -14.284 -12.252 954 2HD LYS 129 1HD LYS 129 -3.140 -14.431 -13.375 955 1HE LYS 129 2HE LYS 129 -4.675 -13.929 -11.461 956 2HE LYS 129 1HE LYS 129 -3.250 -13.592 -10.481 957 1HZ LYS 129 1HZ LYS 129 -4.032 -12.173 -12.973 958 2HZ LYS 129 2HZ LYS 129 -2.635 -11.852 -12.068 959 3HZ LYS 129 3HZ LYS 129 -4.168 -11.562 -11.398 960 H HIS 130 H HIS 130 -5.904 -15.759 -8.835 961 HA HIS 130 HA HIS 130 -7.850 -16.910 -8.878 962 1HB HIS 130 2HB HIS 130 -7.305 -17.163 -11.301 963 2HB HIS 130 1HB HIS 130 -6.500 -18.684 -10.929 964 HD1 HIS 130 1HD HIS 130 -7.933 -20.730 -10.964 965 HD2 HIS 130 2HD HIS 130 -10.166 -17.230 -10.696 966 HE1 HIS 130 1HE HIS 130 -10.335 -21.439 -11.177 967 HE2 HIS 130 2HE HIS 130 -11.675 -19.331 -10.840 Start of MODEL 2 1 1H MET 1 1HT MET 1 -24.453 -5.409 3.071 2 2H MET 1 2HT MET 1 -23.019 -6.282 2.821 3 3H MET 1 3HT MET 1 -24.110 -6.053 1.540 4 HA MET 1 HA MET 1 -23.706 -3.693 1.551 5 1HB MET 1 2HB MET 1 -23.236 -3.552 3.989 6 2HB MET 1 1HB MET 1 -21.684 -4.328 3.712 7 1HG MET 1 2HG MET 1 -21.054 -2.434 2.246 8 2HG MET 1 1HG MET 1 -22.565 -1.642 2.693 9 1HE MET 1 1HE MET 1 -19.629 -0.379 3.015 10 2HE MET 1 2HE MET 1 -19.787 0.402 4.589 11 3HE MET 1 3HE MET 1 -21.110 0.483 3.425 12 H SER 2 H SER 2 -21.980 -6.601 1.409 13 HA SER 2 HA SER 2 -20.668 -7.431 -0.259 14 1HB SER 2 2HB SER 2 -20.400 -4.579 -1.247 15 2HB SER 2 1HB SER 2 -19.770 -6.009 -2.065 16 HG SER 2 HG SER 2 -22.366 -5.061 -1.883 17 H ILE 3 H ILE 3 -19.250 -8.106 1.237 18 HA ILE 3 HA ILE 3 -17.569 -6.519 2.780 19 HB ILE 3 HB ILE 3 -17.055 -9.379 1.971 20 1HG1 ILE 3 2HG1 ILE 3 -18.809 -8.189 4.128 21 2HG1 ILE 3 1HG1 ILE 3 -19.290 -9.261 2.819 22 1HG2 ILE 3 1HG2 ILE 3 -16.206 -7.836 4.417 23 2HG2 ILE 3 2HG2 ILE 3 -15.158 -8.291 3.074 24 3HG2 ILE 3 3HG2 ILE 3 -15.873 -9.538 4.094 25 1HD1 ILE 3 1HD1 ILE 3 -19.229 -10.432 4.939 26 2HD1 ILE 3 2HD1 ILE 3 -17.533 -9.998 5.146 27 3HD1 ILE 3 3HD1 ILE 3 -18.013 -11.075 3.835 28 H PHE 4 H PHE 4 -17.014 -7.939 -0.405 29 HA PHE 4 HA PHE 4 -14.249 -7.414 -0.522 30 1HB PHE 4 2HB PHE 4 -14.583 -7.522 -3.028 31 2HB PHE 4 1HB PHE 4 -15.116 -8.931 -2.124 32 HD1 PHE 4 1HD PHE 4 -16.263 -5.917 -3.927 33 HD2 PHE 4 2HD PHE 4 -17.373 -9.626 -2.151 34 HE1 PHE 4 1HE PHE 4 -18.471 -5.768 -5.002 35 HE2 PHE 4 2HE PHE 4 -19.584 -9.475 -3.218 36 HZ PHE 4 HZ PHE 4 -20.134 -7.546 -4.647 37 H GLY 5 H GLY 5 -17.035 -5.384 -1.039 38 1HA GLY 5 2HA GLY 5 -15.481 -3.222 -2.181 39 2HA GLY 5 1HA GLY 5 -17.187 -3.171 -1.749 40 H LYS 6 H LYS 6 -16.346 -4.349 0.927 41 HA LYS 6 HA LYS 6 -15.971 -1.834 2.274 42 1HB LYS 6 2HB LYS 6 -16.251 -4.669 3.287 43 2HB LYS 6 1HB LYS 6 -16.157 -3.253 4.326 44 1HG LYS 6 2HG LYS 6 -18.258 -2.519 3.753 45 2HG LYS 6 1HG LYS 6 -18.237 -3.342 2.193 46 1HD LYS 6 2HD LYS 6 -19.802 -4.443 3.661 47 2HD LYS 6 1HD LYS 6 -18.428 -5.506 3.370 48 1HE LYS 6 2HE LYS 6 -19.022 -5.623 5.683 49 2HE LYS 6 1HE LYS 6 -17.478 -4.786 5.541 50 1HZ LYS 6 1HZ LYS 6 -19.041 -3.746 7.127 51 2HZ LYS 6 2HZ LYS 6 -20.096 -3.422 5.844 52 3HZ LYS 6 3HZ LYS 6 -18.566 -2.695 5.884 53 H ILE 7 H ILE 7 -14.110 -4.786 1.731 54 HA ILE 7 HA ILE 7 -11.984 -4.011 3.473 55 HB ILE 7 HB ILE 7 -10.752 -5.931 2.547 56 1HG1 ILE 7 2HG1 ILE 7 -13.193 -6.347 0.801 57 2HG1 ILE 7 1HG1 ILE 7 -11.643 -5.740 0.222 58 1HG2 ILE 7 1HG2 ILE 7 -12.305 -6.243 4.403 59 2HG2 ILE 7 2HG2 ILE 7 -12.263 -7.667 3.363 60 3HG2 ILE 7 3HG2 ILE 7 -13.618 -6.542 3.264 61 1HD1 ILE 7 1HD1 ILE 7 -10.592 -7.845 0.843 62 2HD1 ILE 7 2HD1 ILE 7 -11.932 -8.095 -0.277 63 3HD1 ILE 7 3HD1 ILE 7 -12.138 -8.446 1.441 64 H MET 8 H MET 8 -12.650 -3.549 0.075 65 HA MET 8 HA MET 8 -9.962 -3.170 -0.754 66 1HB MET 8 2HB MET 8 -10.917 -2.232 -2.825 67 2HB MET 8 1HB MET 8 -11.637 -3.769 -2.387 68 1HG MET 8 2HG MET 8 -13.413 -2.459 -3.127 69 2HG MET 8 1HG MET 8 -13.534 -2.434 -1.369 70 1HE MET 8 1HE MET 8 -10.979 -0.402 -3.592 71 2HE MET 8 2HE MET 8 -11.883 1.085 -3.869 72 3HE MET 8 3HE MET 8 -12.445 -0.433 -4.571 73 H SER 9 H SER 9 -12.057 -1.170 1.012 74 HA SER 9 HA SER 9 -11.257 1.358 -0.001 75 1HB SER 9 2HB SER 9 -12.388 0.679 2.724 76 2HB SER 9 1HB SER 9 -12.378 2.271 1.962 77 HG SER 9 HG SER 9 -13.510 0.901 0.181 78 H ALA 10 H ALA 10 -9.932 -0.826 2.352 79 HA ALA 10 HA ALA 10 -8.051 1.141 3.360 80 1HB ALA 10 1HB ALA 10 -7.273 -0.619 4.833 81 2HB ALA 10 2HB ALA 10 -8.241 -1.809 3.962 82 3HB ALA 10 3HB ALA 10 -9.034 -0.527 4.878 83 H ILE 11 H ILE 11 -8.085 -1.714 1.297 84 HA ILE 11 HA ILE 11 -5.280 -1.951 0.989 85 HB ILE 11 HB ILE 11 -7.475 -2.898 -0.860 86 1HG1 ILE 11 2HG1 ILE 11 -6.009 -4.332 1.365 87 2HG1 ILE 11 1HG1 ILE 11 -7.681 -3.783 1.429 88 1HG2 ILE 11 1HG2 ILE 11 -4.575 -3.713 -0.666 89 2HG2 ILE 11 2HG2 ILE 11 -5.340 -2.851 -2.002 90 3HG2 ILE 11 3HG2 ILE 11 -5.792 -4.521 -1.654 91 1HD1 ILE 11 1HD1 ILE 11 -8.262 -5.322 -0.366 92 2HD1 ILE 11 2HD1 ILE 11 -7.538 -6.175 0.998 93 3HD1 ILE 11 3HD1 ILE 11 -6.584 -5.862 -0.453 94 H PHE 12 H PHE 12 -7.791 -0.460 -1.053 95 HA PHE 12 HA PHE 12 -5.736 0.573 -2.836 96 1HB PHE 12 2HB PHE 12 -8.751 0.623 -2.943 97 2HB PHE 12 1HB PHE 12 -7.742 1.482 -4.104 98 HD1 PHE 12 1HD PHE 12 -6.623 0.335 -5.851 99 HD2 PHE 12 2HD PHE 12 -8.677 -1.848 -2.832 100 HE1 PHE 12 1HE PHE 12 -6.403 -1.715 -7.192 101 HE2 PHE 12 2HE PHE 12 -8.467 -3.899 -4.170 102 HZ PHE 12 HZ PHE 12 -7.325 -3.837 -6.349 103 H GLY 13 H GLY 13 -6.483 1.491 0.039 104 1HA GLY 13 2HA GLY 13 -6.449 4.370 -0.614 105 2HA GLY 13 1HA GLY 13 -7.327 3.727 0.770 106 H ASP 14 H ASP 14 -4.233 2.475 -0.228 107 HA ASP 14 HA ASP 14 -3.150 2.719 2.356 108 1HB ASP 14 2HB ASP 14 -2.276 0.975 1.008 109 2HB ASP 14 1HB ASP 14 -1.874 2.083 -0.301 110 H SER 15 H SER 15 -2.379 4.365 3.336 111 HA SER 15 HA SER 15 -0.674 6.257 1.912 112 1HB SER 15 2HB SER 15 -2.879 7.347 2.124 113 2HB SER 15 1HB SER 15 -2.862 7.054 3.862 114 HG SER 15 HG SER 15 -0.716 8.275 3.646 115 H ALA 16 H ALA 16 -0.531 3.891 3.787 116 HA ALA 16 HA ALA 16 0.872 5.181 6.040 117 1HB ALA 16 1HB ALA 16 0.306 3.247 7.400 118 2HB ALA 16 2HB ALA 16 -0.518 2.505 6.028 119 3HB ALA 16 3HB ALA 16 -1.153 3.988 6.740 120 H ALA 17 H ALA 17 0.874 2.533 3.714 121 HA ALA 17 HA ALA 17 3.636 1.876 4.436 122 1HB ALA 17 1HB ALA 17 1.802 0.584 2.412 123 2HB ALA 17 2HB ALA 17 2.060 0.026 4.066 124 3HB ALA 17 3HB ALA 17 3.389 -0.008 2.906 125 H ALA 18 H ALA 18 1.697 3.301 1.915 126 HA ALA 18 HA ALA 18 2.181 4.670 0.179 127 1HB ALA 18 1HB ALA 18 4.941 4.827 1.394 128 2HB ALA 18 2HB ALA 18 3.587 5.899 1.757 129 3HB ALA 18 3HB ALA 18 4.296 5.890 0.143 130 H SER 19 H SER 19 2.131 2.031 -0.322 131 HA SER 19 HA SER 19 2.630 0.515 -1.942 132 1HB SER 19 2HB SER 19 4.611 2.557 -2.980 133 2HB SER 19 1HB SER 19 4.022 1.140 -3.851 134 HG SER 19 HG SER 19 2.045 2.784 -2.864 135 HA PRO 20 HA PRO 20 5.915 -1.946 -0.360 136 1HB PRO 20 2HB PRO 20 7.019 -3.020 -2.664 137 2HB PRO 20 1HB PRO 20 5.594 -3.650 -1.833 138 1HG PRO 20 2HG PRO 20 5.762 -1.859 -4.219 139 2HG PRO 20 1HG PRO 20 4.656 -3.209 -3.903 140 1HD PRO 20 2HD PRO 20 3.853 -0.671 -3.626 141 2HD PRO 20 1HD PRO 20 3.308 -1.932 -2.497 142 H GLY 21 H GLY 21 7.945 -1.562 0.313 143 1HA GLY 21 2HA GLY 21 10.143 -0.813 -1.169 144 2HA GLY 21 1HA GLY 21 9.354 0.693 -0.724 145 H GLY 22 H GLY 22 11.129 1.306 0.532 146 1HA GLY 22 2HA GLY 22 11.195 1.357 3.110 147 2HA GLY 22 1HA GLY 22 11.677 -0.325 2.917 148 H ALA 23 H ALA 23 12.970 2.418 3.753 149 HA ALA 23 HA ALA 23 15.486 1.894 2.334 150 1HB ALA 23 1HB ALA 23 14.403 3.811 1.250 151 2HB ALA 23 2HB ALA 23 15.897 4.277 2.065 152 3HB ALA 23 3HB ALA 23 14.337 4.644 2.802 153 H GLN 24 H GLN 24 17.061 1.539 3.721 154 HA GLN 24 HA GLN 24 17.128 3.036 6.239 155 1HB GLN 24 2HB GLN 24 16.111 0.863 6.758 156 2HB GLN 24 1HB GLN 24 17.472 0.039 6.013 157 1HG GLN 24 2HG GLN 24 18.965 0.860 7.708 158 2HG GLN 24 1HG GLN 24 17.678 1.838 8.414 159 1HE2 GLN 24 1HE2 GLN 24 16.057 0.842 9.589 160 2HE2 GLN 24 2HE2 GLN 24 16.215 -0.768 10.203 161 H ALA 25 H ALA 25 19.002 4.041 6.328 162 HA ALA 25 HA ALA 25 21.266 2.998 4.797 163 1HB ALA 25 1HB ALA 25 22.211 5.241 5.017 164 2HB ALA 25 2HB ALA 25 20.844 5.723 6.020 165 3HB ALA 25 3HB ALA 25 20.589 5.297 4.328 166 HA PRO 26 HA PRO 26 23.013 1.583 8.677 167 1HB PRO 26 2HB PRO 26 25.399 1.144 6.999 168 2HB PRO 26 1HB PRO 26 24.477 -0.016 7.961 169 1HG PRO 26 2HG PRO 26 24.370 -0.021 5.283 170 2HG PRO 26 1HG PRO 26 22.950 -0.403 6.272 171 1HD PRO 26 2HD PRO 26 23.633 2.139 4.842 172 2HD PRO 26 1HD PRO 26 22.064 1.317 4.992 173 H ALA 27 H ALA 27 24.435 2.425 10.153 174 HA ALA 27 HA ALA 27 25.681 3.998 11.201 175 1HB ALA 27 1HB ALA 27 27.731 4.706 10.116 176 2HB ALA 27 2HB ALA 27 27.121 4.152 8.558 177 3HB ALA 27 3HB ALA 27 27.449 2.988 9.843 178 H THR 28 H THR 28 23.459 5.148 10.829 179 HA THR 28 HA THR 28 23.582 7.497 9.158 180 HB THR 28 HB THR 28 21.427 6.359 9.559 181 HG1 THR 28 1HG THR 28 21.814 9.051 10.270 182 1HG2 THR 28 1HG2 THR 28 21.736 7.311 12.411 183 2HG2 THR 28 2HG2 THR 28 21.806 5.633 11.870 184 3HG2 THR 28 3HG2 THR 28 20.303 6.543 11.726 185 H THR 29 H THR 29 25.106 6.728 11.902 186 HA THR 29 HA THR 29 24.651 9.110 13.470 187 HB THR 29 HB THR 29 26.502 8.083 14.889 188 HG1 THR 29 1HG THR 29 27.568 6.560 13.867 189 1HG2 THR 29 1HG2 THR 29 24.113 7.790 15.391 190 2HG2 THR 29 2HG2 THR 29 25.040 6.345 15.792 191 3HG2 THR 29 3HG2 THR 29 24.065 6.387 14.322 192 H GLY 30 H GLY 30 25.520 9.880 11.001 193 1HA GLY 30 2HA GLY 30 28.290 10.127 10.642 194 2HA GLY 30 1HA GLY 30 27.076 11.185 9.939 195 H ALA 31 H ALA 31 29.806 11.421 11.466 196 HA ALA 31 HA ALA 31 29.156 12.974 13.781 197 1HB ALA 31 1HB ALA 31 31.200 11.617 13.643 198 2HB ALA 31 2HB ALA 31 31.547 13.309 14.000 199 3HB ALA 31 3HB ALA 31 31.804 12.680 12.372 200 H ALA 32 H ALA 32 30.158 13.677 10.475 201 HA ALA 32 HA ALA 32 29.935 16.543 11.073 202 1HB ALA 32 1HB ALA 32 32.049 15.855 10.069 203 2HB ALA 32 2HB ALA 32 31.155 16.935 9.001 204 3HB ALA 32 3HB ALA 32 31.185 15.200 8.679 205 H GLY 33 H GLY 33 27.592 16.306 11.130 206 1HA GLY 33 2HA GLY 33 25.680 17.128 10.146 207 2HA GLY 33 1HA GLY 33 26.561 17.261 8.633 208 H THR 34 H THR 34 26.881 15.263 7.408 209 HA THR 34 HA THR 34 25.762 13.859 6.021 210 HB THR 34 HB THR 34 24.934 11.735 7.104 211 HG1 THR 34 1HG THR 34 25.041 13.280 9.308 212 1HG2 THR 34 1HG2 THR 34 27.237 11.975 6.316 213 2HG2 THR 34 2HG2 THR 34 27.170 10.993 7.779 214 3HG2 THR 34 3HG2 THR 34 27.701 12.674 7.866 215 H ALA 35 H ALA 35 24.224 15.545 5.544 216 HA ALA 35 HA ALA 35 21.626 15.331 6.850 217 1HB ALA 35 1HB ALA 35 22.560 17.562 6.491 218 2HB ALA 35 2HB ALA 35 21.047 17.349 5.610 219 3HB ALA 35 3HB ALA 35 22.584 17.273 4.750 220 HA PRO 36 HA PRO 36 20.285 12.914 3.328 221 1HB PRO 36 2HB PRO 36 18.111 11.889 4.725 222 2HB PRO 36 1HB PRO 36 19.707 11.154 4.629 223 1HG PRO 36 2HG PRO 36 18.443 12.285 6.918 224 2HG PRO 36 1HG PRO 36 20.075 11.612 6.805 225 1HD PRO 36 2HD PRO 36 19.194 14.429 6.772 226 2HD PRO 36 1HD PRO 36 20.775 13.743 7.198 227 H THR 37 H THR 37 18.136 12.666 2.226 228 HA THR 37 HA THR 37 16.278 14.848 2.841 229 HB THR 37 HB THR 37 17.526 15.467 0.821 230 HG1 THR 37 1HG THR 37 15.612 16.307 0.479 231 1HG2 THR 37 1HG2 THR 37 18.143 13.263 -0.010 232 2HG2 THR 37 2HG2 THR 37 17.304 14.179 -1.261 233 3HG2 THR 37 3HG2 THR 37 16.456 12.909 -0.380 234 H ALA 38 H ALA 38 14.464 13.982 3.545 235 HA ALA 38 HA ALA 38 13.881 11.205 3.138 236 1HB ALA 38 1HB ALA 38 12.232 13.347 4.479 237 2HB ALA 38 2HB ALA 38 13.414 12.309 5.276 238 3HB ALA 38 3HB ALA 38 11.950 11.610 4.582 239 HA PRO 39 HA PRO 39 11.210 12.134 -0.354 240 1HB PRO 39 2HB PRO 39 11.854 9.883 -1.727 241 2HB PRO 39 1HB PRO 39 12.890 11.312 -1.690 242 1HG PRO 39 2HG PRO 39 13.348 8.698 -0.505 243 2HG PRO 39 1HG PRO 39 14.470 10.056 -0.662 244 1HD PRO 39 2HD PRO 39 12.842 9.243 1.650 245 2HD PRO 39 1HD PRO 39 14.260 10.315 1.590 246 H GLN 40 H GLN 40 9.141 11.864 0.441 247 HA GLN 40 HA GLN 40 8.199 9.126 0.897 248 1HB GLN 40 2HB GLN 40 6.911 11.808 1.440 249 2HB GLN 40 1HB GLN 40 6.079 10.273 1.645 250 1HG GLN 40 2HG GLN 40 7.869 9.608 3.256 251 2HG GLN 40 1HG GLN 40 8.490 11.255 3.148 252 1HE2 GLN 40 1HE2 GLN 40 7.333 12.938 4.055 253 2HE2 GLN 40 2HE2 GLN 40 6.035 12.666 5.171 254 HA PRO 41 HA PRO 41 6.659 8.779 -3.247 255 1HB PRO 41 2HB PRO 41 4.629 7.065 -1.892 256 2HB PRO 41 1HB PRO 41 5.647 6.711 -3.294 257 1HG PRO 41 2HG PRO 41 6.216 5.661 -0.916 258 2HG PRO 41 1HG PRO 41 7.507 6.230 -1.991 259 1HD PRO 41 2HD PRO 41 6.375 7.507 0.461 260 2HD PRO 41 1HD PRO 41 8.050 7.479 -0.126 261 H THR 42 H THR 42 5.671 10.565 -3.934 262 HA THR 42 HA THR 42 3.365 11.633 -2.542 263 HB THR 42 HB THR 42 4.602 12.685 -5.086 264 HG1 THR 42 1HG THR 42 5.715 12.467 -2.619 265 1HG2 THR 42 1HG2 THR 42 2.464 13.678 -4.418 266 2HG2 THR 42 2HG2 THR 42 3.782 14.836 -4.245 267 3HG2 THR 42 3HG2 THR 42 3.126 14.030 -2.819 268 H ALA 43 H ALA 43 4.158 9.834 -5.392 269 HA ALA 43 HA ALA 43 1.330 9.841 -6.195 270 1HB ALA 43 1HB ALA 43 2.879 10.536 -7.946 271 2HB ALA 43 2HB ALA 43 2.082 9.016 -8.354 272 3HB ALA 43 3HB ALA 43 3.751 9.010 -7.786 273 H ALA 44 H ALA 44 0.262 7.883 -6.488 274 HA ALA 44 HA ALA 44 1.653 5.409 -5.840 275 1HB ALA 44 1HB ALA 44 -0.762 6.349 -4.290 276 2HB ALA 44 2HB ALA 44 0.879 6.184 -3.665 277 3HB ALA 44 3HB ALA 44 -0.018 4.753 -4.171 278 HA PRO 45 HA PRO 45 -1.450 4.930 -9.148 279 1HB PRO 45 2HB PRO 45 0.187 3.821 -10.978 280 2HB PRO 45 1HB PRO 45 0.101 5.562 -10.713 281 1HG PRO 45 2HG PRO 45 2.194 3.627 -9.907 282 2HG PRO 45 1HG PRO 45 2.338 5.349 -10.293 283 1HD PRO 45 2HD PRO 45 2.249 4.190 -7.719 284 2HD PRO 45 1HD PRO 45 2.141 5.916 -8.111 285 H SER 46 H SER 46 1.095 2.427 -8.971 286 HA SER 46 HA SER 46 -0.840 0.347 -9.332 287 1HB SER 46 2HB SER 46 1.304 -1.079 -8.906 288 2HB SER 46 1HB SER 46 1.192 -0.120 -10.380 289 HG SER 46 HG SER 46 2.633 0.478 -8.003 290 H ILE 47 H ILE 47 -1.873 -0.760 -7.804 291 HA ILE 47 HA ILE 47 -1.098 -0.362 -5.007 292 HB ILE 47 HB ILE 47 -3.604 -1.573 -6.190 293 1HG1 ILE 47 2HG1 ILE 47 -3.501 0.825 -6.552 294 2HG1 ILE 47 1HG1 ILE 47 -4.710 0.460 -5.326 295 1HG2 ILE 47 1HG2 ILE 47 -3.023 -2.573 -4.043 296 2HG2 ILE 47 2HG2 ILE 47 -4.486 -1.595 -3.930 297 3HG2 ILE 47 3HG2 ILE 47 -2.956 -0.969 -3.308 298 1HD1 ILE 47 1HD1 ILE 47 -3.408 2.428 -4.738 299 2HD1 ILE 47 2HD1 ILE 47 -1.922 1.479 -4.806 300 3HD1 ILE 47 3HD1 ILE 47 -3.140 1.125 -3.580 301 H ASP 48 H ASP 48 0.425 -1.822 -4.421 302 HA ASP 48 HA ASP 48 0.280 -4.551 -5.406 303 1HB ASP 48 2HB ASP 48 2.463 -3.272 -5.044 304 2HB ASP 48 1HB ASP 48 2.197 -3.509 -3.321 305 H VAL 49 H VAL 49 -1.016 -5.953 -4.463 306 HA VAL 49 HA VAL 49 -2.335 -5.232 -2.004 307 HB VAL 49 HB VAL 49 -2.637 -7.824 -3.524 308 1HG1 VAL 49 1HG1 VAL 49 -3.641 -7.845 -1.324 309 2HG1 VAL 49 2HG1 VAL 49 -4.898 -7.808 -2.562 310 3HG1 VAL 49 3HG1 VAL 49 -4.492 -6.341 -1.669 311 1HG2 VAL 49 1HG2 VAL 49 -2.938 -5.960 -5.067 312 2HG2 VAL 49 2HG2 VAL 49 -4.104 -5.226 -3.966 313 3HG2 VAL 49 3HG2 VAL 49 -4.474 -6.766 -4.742 314 H ALA 50 H ALA 50 0.404 -7.148 -2.833 315 HA ALA 50 HA ALA 50 0.122 -9.181 -0.883 316 1HB ALA 50 1HB ALA 50 1.559 -9.431 -2.848 317 2HB ALA 50 2HB ALA 50 2.430 -9.753 -1.348 318 3HB ALA 50 3HB ALA 50 2.659 -8.222 -2.190 319 HA PRO 51 HA PRO 51 3.297 -6.821 1.900 320 1HB PRO 51 2HB PRO 51 3.619 -4.133 1.443 321 2HB PRO 51 1HB PRO 51 4.691 -5.381 0.795 322 1HG PRO 51 2HG PRO 51 2.414 -3.964 -0.534 323 2HG PRO 51 1HG PRO 51 4.016 -4.369 -1.182 324 1HD PRO 51 2HD PRO 51 1.844 -5.830 -1.791 325 2HD PRO 51 1HD PRO 51 3.438 -6.580 -1.572 326 H ILE 52 H ILE 52 0.500 -5.117 0.643 327 HA ILE 52 HA ILE 52 -0.116 -3.640 2.963 328 HB ILE 52 HB ILE 52 -1.965 -4.651 0.790 329 1HG1 ILE 52 2HG1 ILE 52 -0.626 -1.964 1.199 330 2HG1 ILE 52 1HG1 ILE 52 -0.165 -3.163 -0.000 331 1HG2 ILE 52 1HG2 ILE 52 -3.228 -4.123 2.798 332 2HG2 ILE 52 2HG2 ILE 52 -3.510 -2.896 1.561 333 3HG2 ILE 52 3HG2 ILE 52 -2.427 -2.556 2.912 334 1HD1 ILE 52 1HD1 ILE 52 -2.793 -1.711 0.114 335 2HD1 ILE 52 2HD1 ILE 52 -2.328 -2.908 -1.095 336 3HD1 ILE 52 3HD1 ILE 52 -1.465 -1.372 -0.995 337 H LEU 53 H LEU 53 -1.299 -6.810 1.818 338 HA LEU 53 HA LEU 53 -2.882 -7.102 4.218 339 1HB LEU 53 2HB LEU 53 -2.430 -8.980 1.906 340 2HB LEU 53 1HB LEU 53 -3.521 -9.290 3.245 341 HG LEU 53 HG LEU 53 -3.768 -7.095 1.186 342 1HD1 LEU 53 1HD1 LEU 53 -5.536 -9.455 1.811 343 2HD1 LEU 53 2HD1 LEU 53 -4.435 -9.333 0.437 344 3HD1 LEU 53 3HD1 LEU 53 -5.811 -8.238 0.564 345 1HD2 LEU 53 1HD2 LEU 53 -4.433 -6.281 3.392 346 2HD2 LEU 53 2HD2 LEU 53 -5.509 -7.665 3.581 347 3HD2 LEU 53 3HD2 LEU 53 -5.827 -6.467 2.327 348 H ASP 54 H ASP 54 0.114 -8.414 2.901 349 HA ASP 54 HA ASP 54 0.539 -10.491 4.715 350 1HB ASP 54 2HB ASP 54 2.409 -8.723 3.177 351 2HB ASP 54 1HB ASP 54 3.052 -9.848 4.364 352 H LYS 55 H LYS 55 1.132 -7.032 5.055 353 HA LYS 55 HA LYS 55 2.322 -7.484 7.680 354 1HB LYS 55 2HB LYS 55 1.903 -4.817 6.327 355 2HB LYS 55 1HB LYS 55 2.998 -5.193 7.649 356 1HG LYS 55 2HG LYS 55 3.233 -6.016 4.770 357 2HG LYS 55 1HG LYS 55 4.318 -4.983 5.699 358 1HD LYS 55 2HD LYS 55 5.243 -6.767 6.845 359 2HD LYS 55 1HD LYS 55 3.845 -7.807 6.560 360 1HE LYS 55 2HE LYS 55 4.449 -7.819 4.138 361 2HE LYS 55 1HE LYS 55 5.927 -6.953 4.554 362 1HZ LYS 55 1HZ LYS 55 5.181 -9.594 5.686 363 2HZ LYS 55 2HZ LYS 55 6.665 -8.791 5.859 364 3HZ LYS 55 3HZ LYS 55 6.193 -9.392 4.342 365 H ALA 56 H ALA 56 -0.682 -6.609 6.270 366 HA ALA 56 HA ALA 56 -1.824 -5.280 8.504 367 1HB ALA 56 1HB ALA 56 -3.976 -5.743 7.456 368 2HB ALA 56 2HB ALA 56 -3.207 -6.885 6.353 369 3HB ALA 56 3HB ALA 56 -2.815 -5.168 6.260 370 H VAL 57 H VAL 57 -1.429 -8.628 7.562 371 HA VAL 57 HA VAL 57 -3.035 -9.886 9.474 372 HB VAL 57 HB VAL 57 -0.418 -10.742 8.223 373 1HG1 VAL 57 1HG1 VAL 57 -2.312 -12.419 9.873 374 2HG1 VAL 57 2HG1 VAL 57 -0.693 -11.911 10.354 375 3HG1 VAL 57 3HG1 VAL 57 -0.904 -13.009 8.989 376 1HG2 VAL 57 1HG2 VAL 57 -1.861 -12.200 6.879 377 2HG2 VAL 57 2HG2 VAL 57 -2.248 -10.493 6.664 378 3HG2 VAL 57 3HG2 VAL 57 -3.278 -11.510 7.671 379 H LYS 58 H LYS 58 0.228 -8.609 9.664 380 HA LYS 58 HA LYS 58 0.794 -9.637 12.270 381 1HB LYS 58 2HB LYS 58 2.165 -7.355 10.837 382 2HB LYS 58 1HB LYS 58 2.834 -8.369 12.110 383 1HG LYS 58 2HG LYS 58 2.962 -10.245 10.678 384 2HG LYS 58 1HG LYS 58 1.986 -9.454 9.440 385 1HD LYS 58 2HD LYS 58 4.067 -9.160 8.556 386 2HD LYS 58 1HD LYS 58 3.935 -7.685 9.510 387 1HE LYS 58 2HE LYS 58 5.295 -10.226 10.401 388 2HE LYS 58 1HE LYS 58 6.119 -8.808 9.762 389 1HZ LYS 58 1HZ LYS 58 5.225 -7.527 11.641 390 2HZ LYS 58 2HZ LYS 58 6.223 -8.808 12.137 391 3HZ LYS 58 3HZ LYS 58 4.541 -8.951 12.275 392 H ALA 59 H ALA 59 -0.869 -6.890 11.055 393 HA ALA 59 HA ALA 59 -0.580 -5.350 13.507 394 1HB ALA 59 1HB ALA 59 -0.566 -4.188 11.368 395 2HB ALA 59 2HB ALA 59 -1.931 -3.662 12.353 396 3HB ALA 59 3HB ALA 59 -2.184 -4.784 11.014 397 H LYS 60 H LYS 60 -2.882 -7.421 11.920 398 HA LYS 60 HA LYS 60 -5.181 -6.740 13.401 399 1HB LYS 60 2HB LYS 60 -5.167 -8.090 11.284 400 2HB LYS 60 1HB LYS 60 -4.513 -9.436 12.208 401 1HG LYS 60 2HG LYS 60 -6.925 -9.649 11.856 402 2HG LYS 60 1HG LYS 60 -6.518 -9.509 13.570 403 1HD LYS 60 2HD LYS 60 -7.075 -7.121 13.492 404 2HD LYS 60 1HD LYS 60 -7.499 -7.283 11.789 405 1HE LYS 60 2HE LYS 60 -9.304 -8.780 12.321 406 2HE LYS 60 1HE LYS 60 -8.833 -8.807 14.021 407 1HZ LYS 60 1HZ LYS 60 -9.710 -6.367 12.579 408 2HZ LYS 60 2HZ LYS 60 -9.426 -6.521 14.243 409 3HZ LYS 60 3HZ LYS 60 -10.734 -7.327 13.524 410 H GLY 61 H GLY 61 -2.845 -9.405 13.841 411 1HA GLY 61 2HA GLY 61 -1.887 -9.477 16.127 412 2HA GLY 61 1HA GLY 61 -3.522 -9.249 16.719 413 H GLU 62 H GLU 62 -3.588 -11.289 14.077 414 HA GLU 62 HA GLU 62 -3.123 -13.684 15.687 415 1HB GLU 62 2HB GLU 62 -5.214 -14.708 14.906 416 2HB GLU 62 1HB GLU 62 -5.522 -13.267 15.861 417 1HG GLU 62 2HG GLU 62 -5.905 -11.995 13.809 418 2HG GLU 62 1HG GLU 62 -5.607 -13.449 12.857 419 H LYS 63 H LYS 63 -2.944 -15.655 14.337 420 HA LYS 63 HA LYS 63 -1.303 -15.105 12.069 421 1HB LYS 63 2HB LYS 63 -0.749 -17.024 13.384 422 2HB LYS 63 1HB LYS 63 -2.367 -17.690 13.206 423 1HG LYS 63 2HG LYS 63 -0.841 -18.894 11.789 424 2HG LYS 63 1HG LYS 63 -1.958 -17.966 10.788 425 1HD LYS 63 2HD LYS 63 -0.124 -16.162 10.776 426 2HD LYS 63 1HD LYS 63 0.943 -17.445 11.351 427 1HE LYS 63 2HE LYS 63 -0.679 -17.464 8.808 428 2HE LYS 63 1HE LYS 63 1.064 -17.232 8.929 429 1HZ LYS 63 1HZ LYS 63 -0.403 -19.695 9.714 430 2HZ LYS 63 2HZ LYS 63 1.276 -19.474 9.793 431 3HZ LYS 63 3HZ LYS 63 0.493 -19.495 8.293 432 H LEU 64 H LEU 64 -2.036 -14.561 10.165 433 HA LEU 64 HA LEU 64 -4.464 -15.868 9.159 434 1HB LEU 64 2HB LEU 64 -3.645 -13.006 8.661 435 2HB LEU 64 1HB LEU 64 -5.073 -13.798 8.025 436 HG LEU 64 HG LEU 64 -4.559 -13.324 10.953 437 1HD1 LEU 64 1HD1 LEU 64 -4.843 -11.216 9.789 438 2HD1 LEU 64 2HD1 LEU 64 -6.261 -11.577 10.775 439 3HD1 LEU 64 3HD1 LEU 64 -6.316 -11.819 9.028 440 1HD2 LEU 64 1HD2 LEU 64 -5.985 -15.224 10.561 441 2HD2 LEU 64 2HD2 LEU 64 -6.980 -14.285 9.447 442 3HD2 LEU 64 3HD2 LEU 64 -6.949 -13.875 11.164 443 H GLU 65 H GLU 65 -4.309 -16.729 7.200 444 HA GLU 65 HA GLU 65 -1.990 -15.958 5.562 445 1HB GLU 65 2HB GLU 65 -2.193 -18.397 4.661 446 2HB GLU 65 1HB GLU 65 -1.333 -18.082 6.160 447 1HG GLU 65 2HG GLU 65 -3.569 -18.607 7.311 448 2HG GLU 65 1HG GLU 65 -4.029 -19.314 5.761 449 H TRP 66 H TRP 66 -3.388 -14.417 4.704 450 HA TRP 66 HA TRP 66 -5.868 -14.899 3.507 451 1HB TRP 66 2HB TRP 66 -5.554 -12.710 2.439 452 2HB TRP 66 1HB TRP 66 -5.085 -12.666 4.134 453 HD1 TRP 66 HD TRP 66 -2.386 -12.560 4.635 454 HE1 TRP 66 1HE TRP 66 -0.472 -11.550 3.228 455 HE3 TRP 66 3HE TRP 66 -4.758 -12.307 0.107 456 HZ2 TRP 66 2HZ TRP 66 -0.044 -10.754 0.569 457 HZ3 TRP 66 3HZ TRP 66 -3.522 -11.399 -1.812 458 HH2 TRP 66 HH TRP 66 -1.213 -10.637 -1.586 459 H ARG 67 H ARG 67 -2.713 -15.607 2.418 460 HA ARG 67 HA ARG 67 -3.112 -15.487 -0.368 461 1HB ARG 67 2HB ARG 67 -1.163 -17.134 1.248 462 2HB ARG 67 1HB ARG 67 -1.091 -16.917 -0.495 463 1HG ARG 67 2HG ARG 67 -0.833 -14.487 -0.150 464 2HG ARG 67 1HG ARG 67 -0.804 -14.766 1.593 465 1HD ARG 67 2HD ARG 67 1.190 -16.140 1.348 466 2HD ARG 67 1HD ARG 67 1.142 -15.924 -0.402 467 HE ARG 67 HE ARG 67 1.258 -13.440 1.032 468 1HH1 ARG 67 1HH1 ARG 67 3.154 -16.068 -0.259 469 2HH1 ARG 67 2HH1 ARG 67 4.605 -15.128 -0.390 470 1HH2 ARG 67 1HH2 ARG 67 3.166 -12.185 0.901 471 2HH2 ARG 67 2HH2 ARG 67 4.617 -12.924 0.268 472 H THR 68 H THR 68 -4.177 -17.742 2.009 473 HA THR 68 HA THR 68 -5.140 -19.456 -0.176 474 HB THR 68 HB THR 68 -3.273 -20.574 1.005 475 HG1 THR 68 1HG THR 68 -5.003 -22.373 1.801 476 1HG2 THR 68 1HG2 THR 68 -5.121 -20.480 3.392 477 2HG2 THR 68 2HG2 THR 68 -3.554 -19.679 3.242 478 3HG2 THR 68 3HG2 THR 68 -3.644 -21.440 3.282 479 H SER 69 H SER 69 -5.805 -17.933 2.893 480 HA SER 69 HA SER 69 -8.453 -19.207 2.941 481 1HB SER 69 2HB SER 69 -7.024 -17.755 5.179 482 2HB SER 69 1HB SER 69 -8.537 -18.649 5.306 483 HG SER 69 HG SER 69 -6.291 -19.647 5.829 484 H ILE 70 H ILE 70 -10.192 -18.027 2.498 485 HA ILE 70 HA ILE 70 -9.850 -15.243 1.823 486 HB ILE 70 HB ILE 70 -11.251 -16.703 0.429 487 1HG1 ILE 70 2HG1 ILE 70 -13.191 -15.178 0.206 488 2HG1 ILE 70 1HG1 ILE 70 -12.776 -14.449 1.754 489 1HG2 ILE 70 1HG2 ILE 70 -13.496 -17.367 1.204 490 2HG2 ILE 70 2HG2 ILE 70 -13.073 -16.811 2.825 491 3HG2 ILE 70 3HG2 ILE 70 -12.197 -18.156 2.097 492 1HD1 ILE 70 1HD1 ILE 70 -11.076 -14.422 -0.728 493 2HD1 ILE 70 2HD1 ILE 70 -10.639 -13.714 0.826 494 3HD1 ILE 70 3HD1 ILE 70 -12.009 -13.072 -0.080 495 H VAL 71 H VAL 71 -11.241 -17.088 4.437 496 HA VAL 71 HA VAL 71 -12.730 -15.012 5.649 497 HB VAL 71 HB VAL 71 -11.447 -17.403 6.985 498 1HG1 VAL 71 1HG1 VAL 71 -13.742 -15.646 7.853 499 2HG1 VAL 71 2HG1 VAL 71 -12.146 -15.732 8.600 500 3HG1 VAL 71 3HG1 VAL 71 -13.230 -17.124 8.667 501 1HG2 VAL 71 1HG2 VAL 71 -12.857 -18.124 5.151 502 2HG2 VAL 71 2HG2 VAL 71 -14.176 -17.108 5.735 503 3HG2 VAL 71 3HG2 VAL 71 -13.639 -18.491 6.690 504 H ASP 72 H ASP 72 -9.403 -16.066 5.900 505 HA ASP 72 HA ASP 72 -8.599 -14.658 8.152 506 1HB ASP 72 2HB ASP 72 -7.098 -15.577 5.710 507 2HB ASP 72 1HB ASP 72 -6.293 -14.745 7.034 508 H LEU 73 H LEU 73 -8.412 -13.634 4.726 509 HA LEU 73 HA LEU 73 -7.310 -11.099 5.415 510 1HB LEU 73 2HB LEU 73 -7.720 -10.477 3.074 511 2HB LEU 73 1HB LEU 73 -6.844 -11.984 3.240 512 HG LEU 73 HG LEU 73 -9.265 -13.027 2.962 513 1HD1 LEU 73 1HD1 LEU 73 -10.461 -10.915 2.921 514 2HD1 LEU 73 2HD1 LEU 73 -10.603 -11.733 1.366 515 3HD1 LEU 73 3HD1 LEU 73 -9.497 -10.373 1.546 516 1HD2 LEU 73 1HD2 LEU 73 -7.642 -11.917 0.672 517 2HD2 LEU 73 2HD2 LEU 73 -8.828 -13.217 0.567 518 3HD2 LEU 73 3HD2 LEU 73 -7.355 -13.447 1.506 519 H MET 74 H MET 74 -10.537 -12.308 5.058 520 HA MET 74 HA MET 74 -11.929 -9.907 4.737 521 1HB MET 74 2HB MET 74 -13.055 -11.993 4.416 522 2HB MET 74 1HB MET 74 -12.696 -12.513 6.057 523 1HG MET 74 2HG MET 74 -14.222 -10.938 6.968 524 2HG MET 74 1HG MET 74 -14.449 -10.160 5.405 525 1HE MET 74 1HE MET 74 -15.905 -14.451 6.320 526 2HE MET 74 2HE MET 74 -15.014 -13.459 7.476 527 3HE MET 74 3HE MET 74 -14.217 -14.043 6.017 528 H LYS 75 H LYS 75 -11.207 -11.689 7.736 529 HA LYS 75 HA LYS 75 -12.173 -9.549 9.371 530 1HB LYS 75 2HB LYS 75 -11.160 -10.908 11.247 531 2HB LYS 75 1HB LYS 75 -12.400 -11.712 10.296 532 1HG LYS 75 2HG LYS 75 -10.724 -12.944 9.077 533 2HG LYS 75 1HG LYS 75 -9.437 -12.078 9.917 534 1HD LYS 75 2HD LYS 75 -10.035 -13.073 12.005 535 2HD LYS 75 1HD LYS 75 -11.504 -13.769 11.312 536 1HE LYS 75 2HE LYS 75 -10.241 -15.256 9.949 537 2HE LYS 75 1HE LYS 75 -8.734 -14.442 10.354 538 1HZ LYS 75 1HZ LYS 75 -9.054 -16.545 11.547 539 2HZ LYS 75 2HZ LYS 75 -10.436 -15.906 12.298 540 3HZ LYS 75 3HZ LYS 75 -8.909 -15.221 12.601 541 H ALA 76 H ALA 76 -9.129 -10.367 7.961 542 HA ALA 76 HA ALA 76 -7.261 -9.228 9.649 543 1HB ALA 76 1HB ALA 76 -6.695 -10.468 7.606 544 2HB ALA 76 2HB ALA 76 -5.848 -8.924 7.697 545 3HB ALA 76 3HB ALA 76 -7.244 -9.104 6.634 546 H LEU 77 H LEU 77 -9.002 -7.550 6.987 547 HA LEU 77 HA LEU 77 -8.096 -4.971 7.702 548 1HB LEU 77 2HB LEU 77 -10.575 -5.873 6.230 549 2HB LEU 77 1HB LEU 77 -10.222 -4.181 6.516 550 HG LEU 77 HG LEU 77 -9.514 -4.626 4.308 551 1HD1 LEU 77 1HD1 LEU 77 -7.102 -4.717 6.108 552 2HD1 LEU 77 2HD1 LEU 77 -7.938 -3.273 5.534 553 3HD1 LEU 77 3HD1 LEU 77 -7.080 -4.309 4.393 554 1HD2 LEU 77 1HD2 LEU 77 -7.987 -7.009 5.342 555 2HD2 LEU 77 2HD2 LEU 77 -8.050 -6.449 3.670 556 3HD2 LEU 77 3HD2 LEU 77 -9.505 -7.074 4.447 557 H ASP 78 H ASP 78 -11.415 -6.174 8.130 558 HA ASP 78 HA ASP 78 -11.542 -6.388 10.835 559 1HB ASP 78 2HB ASP 78 -10.972 -3.899 10.857 560 2HB ASP 78 1HB ASP 78 -12.580 -3.631 10.183 561 H ILE 79 H ILE 79 -12.852 -8.009 9.898 562 HA ILE 79 HA ILE 79 -15.620 -7.091 9.506 563 HB ILE 79 HB ILE 79 -14.270 -9.256 7.876 564 1HG1 ILE 79 2HG1 ILE 79 -13.763 -6.944 7.137 565 2HG1 ILE 79 1HG1 ILE 79 -14.714 -7.828 5.952 566 1HG2 ILE 79 1HG2 ILE 79 -16.440 -9.445 6.709 567 2HG2 ILE 79 2HG2 ILE 79 -17.149 -8.357 7.905 568 3HG2 ILE 79 3HG2 ILE 79 -16.523 -9.929 8.402 569 1HD1 ILE 79 1HD1 ILE 79 -15.769 -5.790 7.892 570 2HD1 ILE 79 2HD1 ILE 79 -16.725 -6.674 6.701 571 3HD1 ILE 79 3HD1 ILE 79 -15.481 -5.541 6.169 572 H ASP 80 H ASP 80 -17.164 -8.303 10.480 573 HA ASP 80 HA ASP 80 -16.476 -9.646 12.818 574 1HB ASP 80 2HB ASP 80 -19.069 -9.614 11.275 575 2HB ASP 80 1HB ASP 80 -18.902 -10.305 12.886 576 H SER 81 H SER 81 -17.320 -10.929 9.658 577 HA SER 81 HA SER 81 -16.981 -12.947 8.688 578 1HB SER 81 2HB SER 81 -15.320 -13.576 11.141 579 2HB SER 81 1HB SER 81 -15.280 -14.438 9.601 580 HG SER 81 HG SER 81 -14.427 -11.802 10.178 581 H SER 82 H SER 82 -19.044 -12.444 10.931 582 HA SER 82 HA SER 82 -19.579 -15.071 11.951 583 1HB SER 82 2HB SER 82 -20.182 -12.960 13.165 584 2HB SER 82 1HB SER 82 -21.396 -12.649 11.928 585 HG SER 82 HG SER 82 -21.715 -14.040 14.107 586 H LEU 83 H LEU 83 -22.404 -15.156 11.609 587 HA LEU 83 HA LEU 83 -22.460 -16.592 9.166 588 1HB LEU 83 2HB LEU 83 -23.852 -16.929 11.326 589 2HB LEU 83 1HB LEU 83 -24.919 -15.714 10.655 590 HG LEU 83 HG LEU 83 -25.661 -18.065 10.266 591 1HD1 LEU 83 1HD1 LEU 83 -26.478 -16.312 8.816 592 2HD1 LEU 83 2HD1 LEU 83 -26.195 -17.782 7.883 593 3HD1 LEU 83 3HD1 LEU 83 -25.044 -16.448 7.799 594 1HD2 LEU 83 1HD2 LEU 83 -23.513 -19.122 9.972 595 2HD2 LEU 83 2HD2 LEU 83 -23.201 -18.160 8.527 596 3HD2 LEU 83 3HD2 LEU 83 -24.492 -19.363 8.524 597 H SER 84 H SER 84 -23.898 -13.496 10.160 598 HA SER 84 HA SER 84 -25.260 -12.932 7.796 599 1HB SER 84 2HB SER 84 -25.621 -11.653 9.848 600 2HB SER 84 1HB SER 84 -23.984 -11.006 9.755 601 HG SER 84 HG SER 84 -24.546 -9.721 8.110 602 H ALA 85 H ALA 85 -21.908 -12.279 8.696 603 HA ALA 85 HA ALA 85 -21.251 -10.678 6.471 604 1HB ALA 85 1HB ALA 85 -19.919 -10.747 8.527 605 2HB ALA 85 2HB ALA 85 -18.938 -11.059 7.095 606 3HB ALA 85 3HB ALA 85 -19.422 -12.395 8.141 607 H ARG 86 H ARG 86 -20.589 -14.134 7.081 608 HA ARG 86 HA ARG 86 -19.423 -14.642 4.568 609 1HB ARG 86 2HB ARG 86 -19.577 -16.965 5.104 610 2HB ARG 86 1HB ARG 86 -19.248 -16.115 6.606 611 1HG ARG 86 2HG ARG 86 -21.727 -16.203 7.060 612 2HG ARG 86 1HG ARG 86 -21.851 -17.311 5.693 613 1HD ARG 86 2HD ARG 86 -21.709 -18.581 7.736 614 2HD ARG 86 1HD ARG 86 -20.222 -18.803 6.813 615 HE ARG 86 HE ARG 86 -19.674 -16.724 8.490 616 1HH1 ARG 86 1HH1 ARG 86 -20.837 -19.993 8.974 617 2HH1 ARG 86 2HH1 ARG 86 -20.105 -20.151 10.544 618 1HH2 ARG 86 1HH2 ARG 86 -18.653 -16.946 10.520 619 2HH2 ARG 86 2HH2 ARG 86 -18.844 -18.428 11.416 620 H LYS 87 H LYS 87 -22.687 -14.411 5.630 621 HA LYS 87 HA LYS 87 -23.946 -15.772 3.490 622 1HB LYS 87 2HB LYS 87 -25.031 -15.276 5.668 623 2HB LYS 87 1HB LYS 87 -25.023 -13.567 5.264 624 1HG LYS 87 2HG LYS 87 -27.188 -14.283 4.814 625 2HG LYS 87 1HG LYS 87 -26.409 -14.209 3.234 626 1HD LYS 87 2HD LYS 87 -27.653 -16.234 3.303 627 2HD LYS 87 1HD LYS 87 -25.952 -16.673 3.463 628 1HE LYS 87 2HE LYS 87 -26.183 -16.990 5.818 629 2HE LYS 87 1HE LYS 87 -27.813 -16.320 5.807 630 1HZ LYS 87 1HZ LYS 87 -28.546 -18.208 4.488 631 2HZ LYS 87 2HZ LYS 87 -27.837 -18.734 5.936 632 3HZ LYS 87 3HZ LYS 87 -26.973 -18.847 4.478 633 H GLU 88 H GLU 88 -23.445 -12.289 4.139 634 HA GLU 88 HA GLU 88 -24.653 -11.485 1.711 635 1HB GLU 88 2HB GLU 88 -23.850 -9.253 2.200 636 2HB GLU 88 1HB GLU 88 -24.501 -9.990 3.657 637 1HG GLU 88 2HG GLU 88 -22.359 -10.299 4.575 638 2HG GLU 88 1HG GLU 88 -21.568 -9.970 3.032 639 H LEU 89 H LEU 89 -21.299 -12.091 2.620 640 HA LEU 89 HA LEU 89 -20.054 -10.962 0.387 641 1HB LEU 89 2HB LEU 89 -18.793 -11.693 2.324 642 2HB LEU 89 1HB LEU 89 -19.247 -13.361 2.039 643 HG LEU 89 HG LEU 89 -17.915 -13.407 -0.005 644 1HD1 LEU 89 1HD1 LEU 89 -17.182 -10.560 0.660 645 2HD1 LEU 89 2HD1 LEU 89 -18.216 -11.066 -0.672 646 3HD1 LEU 89 3HD1 LEU 89 -16.514 -11.529 -0.652 647 1HD2 LEU 89 1HD2 LEU 89 -15.700 -13.200 1.001 648 2HD2 LEU 89 2HD2 LEU 89 -16.834 -13.969 2.114 649 3HD2 LEU 89 3HD2 LEU 89 -16.388 -12.277 2.337 650 H ALA 90 H ALA 90 -21.234 -14.277 0.888 651 HA ALA 90 HA ALA 90 -20.541 -15.183 -1.705 652 1HB ALA 90 1HB ALA 90 -22.637 -16.270 0.174 653 2HB ALA 90 2HB ALA 90 -20.926 -16.707 0.180 654 3HB ALA 90 3HB ALA 90 -21.938 -17.112 -1.208 655 H LYS 91 H LYS 91 -23.515 -13.881 -0.310 656 HA LYS 91 HA LYS 91 -25.290 -14.265 -2.402 657 1HB LYS 91 2HB LYS 91 -25.076 -12.170 -0.264 658 2HB LYS 91 1HB LYS 91 -26.346 -12.076 -1.475 659 1HG LYS 91 2HG LYS 91 -27.415 -13.964 -0.695 660 2HG LYS 91 1HG LYS 91 -25.954 -14.604 0.059 661 1HD LYS 91 2HD LYS 91 -27.606 -13.798 1.712 662 2HD LYS 91 1HD LYS 91 -26.070 -12.940 1.805 663 1HE LYS 91 2HE LYS 91 -27.059 -11.104 0.478 664 2HE LYS 91 1HE LYS 91 -28.602 -11.955 0.495 665 1HZ LYS 91 1HZ LYS 91 -28.494 -10.245 2.208 666 2HZ LYS 91 2HZ LYS 91 -27.145 -10.992 2.900 667 3HZ LYS 91 3HZ LYS 91 -28.642 -11.783 2.906 668 H GLU 92 H GLU 92 -23.020 -11.594 -1.906 669 HA GLU 92 HA GLU 92 -23.941 -10.071 -4.136 670 1HB GLU 92 2HB GLU 92 -21.324 -9.924 -2.627 671 2HB GLU 92 1HB GLU 92 -21.927 -8.707 -3.736 672 1HG GLU 92 2HG GLU 92 -23.128 -9.502 -1.098 673 2HG GLU 92 1HG GLU 92 -22.294 -7.997 -1.476 674 H LEU 93 H LEU 93 -21.629 -12.614 -3.692 675 HA LEU 93 HA LEU 93 -20.313 -12.153 -6.226 676 1HB LEU 93 2HB LEU 93 -20.063 -14.411 -4.239 677 2HB LEU 93 1HB LEU 93 -19.061 -14.213 -5.664 678 HG LEU 93 HG LEU 93 -19.183 -12.266 -3.354 679 1HD1 LEU 93 1HD1 LEU 93 -16.966 -13.091 -2.795 680 2HD1 LEU 93 2HD1 LEU 93 -17.057 -14.265 -4.108 681 3HD1 LEU 93 3HD1 LEU 93 -18.151 -14.395 -2.732 682 1HD2 LEU 93 1HD2 LEU 93 -18.652 -11.205 -5.490 683 2HD2 LEU 93 2HD2 LEU 93 -17.363 -12.379 -5.756 684 3HD2 LEU 93 3HD2 LEU 93 -17.250 -11.232 -4.421 685 H GLY 94 H GLY 94 -23.127 -13.690 -5.200 686 1HA GLY 94 2HA GLY 94 -24.518 -14.306 -7.202 687 2HA GLY 94 1HA GLY 94 -23.169 -15.339 -7.653 688 H TYR 95 H TYR 95 -22.920 -15.770 -4.601 689 HA TYR 95 HA TYR 95 -23.353 -17.485 -3.196 690 1HB TYR 95 2HB TYR 95 -25.421 -16.081 -2.899 691 2HB TYR 95 1HB TYR 95 -26.237 -17.147 -4.037 692 HD1 TYR 95 1HD TYR 95 -27.229 -19.148 -3.286 693 HD2 TYR 95 2HD TYR 95 -24.462 -17.116 -0.774 694 HE1 TYR 95 1HE TYR 95 -27.789 -20.676 -1.443 695 HE2 TYR 95 2HE TYR 95 -25.012 -18.641 1.073 696 HH TYR 95 HH TYR 95 -26.764 -21.514 0.626 697 H SER 96 H SER 96 -22.212 -18.981 -4.483 698 HA SER 96 HA SER 96 -23.962 -21.031 -5.638 699 1HB SER 96 2HB SER 96 -21.295 -20.156 -6.779 700 2HB SER 96 1HB SER 96 -22.335 -21.429 -7.422 701 HG SER 96 HG SER 96 -23.736 -19.153 -7.124 702 H GLY 97 H GLY 97 -23.676 -22.945 -4.729 703 1HA GLY 97 2HA GLY 97 -21.737 -24.574 -4.285 704 2HA GLY 97 1HA GLY 97 -21.249 -23.353 -3.120 705 H ASP 98 H ASP 98 -22.102 -26.180 -2.829 706 HA ASP 98 HA ASP 98 -23.556 -25.869 -0.417 707 1HB ASP 98 2HB ASP 98 -25.474 -25.622 -1.940 708 2HB ASP 98 1HB ASP 98 -25.068 -27.154 -2.706 709 H MET 99 H MET 99 -23.334 -28.350 -2.976 710 HA MET 99 HA MET 99 -22.925 -30.472 -1.141 711 1HB MET 99 2HB MET 99 -22.461 -31.851 -3.097 712 2HB MET 99 1HB MET 99 -23.860 -30.823 -3.388 713 1HG MET 99 2HG MET 99 -22.451 -29.290 -4.681 714 2HG MET 99 1HG MET 99 -21.063 -30.340 -4.400 715 1HE MET 99 1HE MET 99 -21.865 -30.878 -8.208 716 2HE MET 99 2HE MET 99 -20.609 -30.471 -7.040 717 3HE MET 99 3HE MET 99 -21.977 -29.382 -7.280 718 H ASN 100 H ASN 100 -20.830 -28.147 -2.429 719 HA ASN 100 HA ASN 100 -18.407 -29.684 -2.247 720 1HB ASN 100 2HB ASN 100 -17.334 -27.425 -2.644 721 2HB ASN 100 1HB ASN 100 -18.442 -27.968 -3.900 722 1HD2 ASN 100 1HD2 ASN 100 -17.923 -25.686 -1.323 723 2HD2 ASN 100 2HD2 ASN 100 -19.232 -24.638 -1.731 724 H ASP 101 H ASP 101 -20.380 -28.028 -0.069 725 HA ASP 101 HA ASP 101 -20.207 -27.341 2.087 726 1HB ASP 101 2HB ASP 101 -19.506 -29.873 2.081 727 2HB ASP 101 1HB ASP 101 -17.917 -29.236 2.493 728 H SER 102 H SER 102 -17.784 -27.435 3.745 729 HA SER 102 HA SER 102 -16.962 -24.759 3.255 730 1HB SER 102 2HB SER 102 -15.656 -26.743 5.126 731 2HB SER 102 1HB SER 102 -15.683 -24.983 5.268 732 HG SER 102 HG SER 102 -18.072 -26.499 5.253 733 H ALA 103 H ALA 103 -15.601 -27.885 2.521 734 HA ALA 103 HA ALA 103 -12.920 -27.352 2.224 735 1HB ALA 103 1HB ALA 103 -14.572 -29.149 0.457 736 2HB ALA 103 2HB ALA 103 -13.927 -29.585 2.040 737 3HB ALA 103 3HB ALA 103 -12.830 -29.236 0.703 738 H SER 104 H SER 104 -15.298 -27.259 -0.452 739 HA SER 104 HA SER 104 -13.365 -25.821 -2.069 740 1HB SER 104 2HB SER 104 -16.185 -26.691 -2.734 741 2HB SER 104 1HB SER 104 -15.001 -26.056 -3.877 742 HG SER 104 HG SER 104 -14.545 -28.368 -2.299 743 H MET 105 H MET 105 -15.744 -25.015 0.154 744 HA MET 105 HA MET 105 -16.890 -22.709 -1.011 745 1HB MET 105 2HB MET 105 -17.859 -23.772 0.965 746 2HB MET 105 1HB MET 105 -16.431 -23.366 1.907 747 1HG MET 105 2HG MET 105 -16.925 -20.977 1.575 748 2HG MET 105 1HG MET 105 -18.388 -21.423 0.699 749 1HE MET 105 1HE MET 105 -19.780 -20.012 4.081 750 2HE MET 105 2HE MET 105 -19.837 -19.895 2.323 751 3HE MET 105 3HE MET 105 -18.369 -19.441 3.191 752 H ASN 106 H ASN 106 -14.058 -23.141 1.098 753 HA ASN 106 HA ASN 106 -13.430 -20.376 1.215 754 1HB ASN 106 2HB ASN 106 -12.543 -21.839 2.910 755 2HB ASN 106 1HB ASN 106 -11.713 -22.818 1.704 756 1HD2 ASN 106 1HD2 ASN 106 -9.770 -22.157 0.911 757 2HD2 ASN 106 2HD2 ASN 106 -8.900 -20.783 1.502 758 H ILE 107 H ILE 107 -12.679 -22.897 -1.057 759 HA ILE 107 HA ILE 107 -10.512 -21.569 -2.342 760 HB ILE 107 HB ILE 107 -12.300 -23.784 -3.362 761 1HG1 ILE 107 2HG1 ILE 107 -9.545 -23.899 -2.108 762 2HG1 ILE 107 1HG1 ILE 107 -11.046 -24.327 -1.293 763 1HG2 ILE 107 1HG2 ILE 107 -11.186 -22.603 -5.185 764 2HG2 ILE 107 2HG2 ILE 107 -10.537 -24.230 -4.984 765 3HG2 ILE 107 3HG2 ILE 107 -9.628 -22.839 -4.393 766 1HD1 ILE 107 1HD1 ILE 107 -9.869 -26.305 -2.030 767 2HD1 ILE 107 2HD1 ILE 107 -9.865 -25.709 -3.691 768 3HD1 ILE 107 3HD1 ILE 107 -11.389 -26.134 -2.909 769 H TRP 108 H TRP 108 -13.851 -22.176 -3.444 770 HA TRP 108 HA TRP 108 -13.726 -20.602 -5.740 771 1HB TRP 108 2HB TRP 108 -15.513 -22.193 -5.451 772 2HB TRP 108 1HB TRP 108 -16.087 -21.362 -4.011 773 HD1 TRP 108 HD TRP 108 -15.990 -20.949 -7.848 774 HE1 TRP 108 1HE TRP 108 -17.844 -19.288 -8.534 775 HE3 TRP 108 3HE TRP 108 -17.550 -19.498 -3.196 776 HZ2 TRP 108 2HZ TRP 108 -19.708 -17.593 -7.263 777 HZ3 TRP 108 3HZ TRP 108 -19.371 -17.855 -3.019 778 HH2 TRP 108 HH TRP 108 -20.422 -16.923 -5.011 779 H LEU 109 H LEU 109 -14.843 -19.761 -2.482 780 HA LEU 109 HA LEU 109 -15.753 -17.165 -3.086 781 1HB LEU 109 2HB LEU 109 -16.144 -18.648 -1.001 782 2HB LEU 109 1HB LEU 109 -14.632 -17.983 -0.416 783 HG LEU 109 HG LEU 109 -15.663 -15.691 -0.677 784 1HD1 LEU 109 1HD1 LEU 109 -18.117 -15.600 -0.720 785 2HD1 LEU 109 2HD1 LEU 109 -18.162 -17.336 -1.029 786 3HD1 LEU 109 3HD1 LEU 109 -17.443 -16.247 -2.215 787 1HD2 LEU 109 1HD2 LEU 109 -16.970 -17.617 1.236 788 2HD2 LEU 109 2HD2 LEU 109 -16.921 -15.862 1.402 789 3HD2 LEU 109 3HD2 LEU 109 -15.428 -16.797 1.482 790 H HIS 110 H HIS 110 -12.636 -18.423 -2.046 791 HA HIS 110 HA HIS 110 -11.300 -16.053 -1.434 792 1HB HIS 110 2HB HIS 110 -10.442 -18.323 -0.945 793 2HB HIS 110 1HB HIS 110 -10.155 -18.573 -2.660 794 HD1 HIS 110 1HD HIS 110 -7.709 -18.534 -3.022 795 HD2 HIS 110 2HD HIS 110 -8.931 -15.636 -0.283 796 HE1 HIS 110 1HE HIS 110 -5.638 -17.241 -2.416 797 HE2 HIS 110 2HE HIS 110 -6.367 -15.656 -0.601 798 H LYS 111 H LYS 111 -11.591 -17.773 -4.505 799 HA LYS 111 HA LYS 111 -9.916 -15.883 -5.885 800 1HB LYS 111 2HB LYS 111 -11.642 -18.076 -7.045 801 2HB LYS 111 1HB LYS 111 -10.280 -17.274 -7.823 802 1HG LYS 111 2HG LYS 111 -8.811 -18.179 -6.022 803 2HG LYS 111 1HG LYS 111 -10.192 -19.105 -5.435 804 1HD LYS 111 2HD LYS 111 -9.036 -19.309 -8.211 805 2HD LYS 111 1HD LYS 111 -8.662 -20.405 -6.881 806 1HE LYS 111 2HE LYS 111 -11.049 -21.010 -6.746 807 2HE LYS 111 1HE LYS 111 -11.370 -19.963 -8.131 808 1HZ LYS 111 1HZ LYS 111 -11.114 -22.294 -8.786 809 2HZ LYS 111 2HZ LYS 111 -9.545 -22.309 -8.144 810 3HZ LYS 111 3HZ LYS 111 -9.908 -21.320 -9.476 811 H GLN 112 H GLN 112 -13.324 -16.392 -5.415 812 HA GLN 112 HA GLN 112 -14.244 -14.860 -7.610 813 1HB GLN 112 2HB GLN 112 -15.554 -16.552 -6.195 814 2HB GLN 112 1HB GLN 112 -15.747 -15.252 -5.025 815 1HG GLN 112 2HG GLN 112 -17.698 -15.382 -6.426 816 2HG GLN 112 1HG GLN 112 -16.831 -13.881 -6.754 817 1HE2 GLN 112 1HE2 GLN 112 -15.860 -17.050 -7.890 818 2HE2 GLN 112 2HE2 GLN 112 -16.138 -16.747 -9.566 819 H VAL 113 H VAL 113 -13.647 -14.083 -4.200 820 HA VAL 113 HA VAL 113 -14.486 -11.405 -4.274 821 HB VAL 113 HB VAL 113 -12.372 -12.709 -2.544 822 1HG1 VAL 113 1HG1 VAL 113 -12.063 -10.288 -2.593 823 2HG1 VAL 113 2HG1 VAL 113 -12.669 -10.812 -1.023 824 3HG1 VAL 113 3HG1 VAL 113 -13.760 -10.052 -2.182 825 1HG2 VAL 113 1HG2 VAL 113 -14.571 -13.702 -2.280 826 2HG2 VAL 113 2HG2 VAL 113 -15.284 -12.107 -2.035 827 3HG2 VAL 113 3HG2 VAL 113 -14.152 -12.759 -0.850 828 H MET 114 H MET 114 -11.453 -12.942 -5.172 829 HA MET 114 HA MET 114 -9.868 -10.626 -5.349 830 1HB MET 114 2HB MET 114 -9.665 -13.248 -6.836 831 2HB MET 114 1HB MET 114 -8.436 -11.993 -6.888 832 1HG MET 114 2HG MET 114 -8.148 -12.207 -4.456 833 2HG MET 114 1HG MET 114 -9.341 -13.506 -4.449 834 1HE MET 114 1HE MET 114 -6.607 -12.777 -7.182 835 2HE MET 114 2HE MET 114 -5.273 -13.776 -6.607 836 3HE MET 114 3HE MET 114 -5.791 -12.371 -5.675 837 H SER 115 H SER 115 -12.140 -12.094 -7.575 838 HA SER 115 HA SER 115 -11.433 -10.654 -9.887 839 1HB SER 115 2HB SER 115 -14.149 -11.742 -9.107 840 2HB SER 115 1HB SER 115 -13.630 -11.310 -10.736 841 HG SER 115 HG SER 115 -13.491 -13.618 -10.045 842 H LYS 116 H LYS 116 -13.124 -9.714 -7.029 843 HA LYS 116 HA LYS 116 -14.203 -7.316 -8.348 844 1HB LYS 116 2HB LYS 116 -14.645 -8.017 -5.463 845 2HB LYS 116 1HB LYS 116 -15.668 -7.080 -6.540 846 1HG LYS 116 2HG LYS 116 -15.224 -10.042 -6.776 847 2HG LYS 116 1HG LYS 116 -16.578 -9.296 -5.930 848 1HD LYS 116 2HD LYS 116 -17.319 -8.252 -8.000 849 2HD LYS 116 1HD LYS 116 -15.937 -8.947 -8.858 850 1HE LYS 116 2HE LYS 116 -16.741 -11.188 -8.385 851 2HE LYS 116 1HE LYS 116 -18.081 -10.535 -7.444 852 1HZ LYS 116 1HZ LYS 116 -18.946 -9.506 -9.453 853 2HZ LYS 116 2HZ LYS 116 -18.784 -11.179 -9.657 854 3HZ LYS 116 3HZ LYS 116 -17.653 -10.129 -10.359 855 H LEU 117 H LEU 117 -11.570 -8.392 -6.566 856 HA LEU 117 HA LEU 117 -11.167 -5.851 -5.165 857 1HB LEU 117 2HB LEU 117 -11.051 -7.901 -3.830 858 2HB LEU 117 1HB LEU 117 -9.769 -8.512 -4.860 859 HG LEU 117 HG LEU 117 -8.340 -6.608 -4.124 860 1HD1 LEU 117 1HD1 LEU 117 -10.580 -6.128 -2.164 861 2HD1 LEU 117 2HD1 LEU 117 -10.132 -5.067 -3.498 862 3HD1 LEU 117 3HD1 LEU 117 -9.009 -5.329 -2.163 863 1HD2 LEU 117 1HD2 LEU 117 -9.430 -8.412 -1.969 864 2HD2 LEU 117 2HD2 LEU 117 -7.914 -7.515 -1.878 865 3HD2 LEU 117 3HD2 LEU 117 -8.118 -8.784 -3.086 866 H VAL 118 H VAL 118 -8.943 -8.207 -6.687 867 HA VAL 118 HA VAL 118 -6.947 -6.195 -6.966 868 HB VAL 118 HB VAL 118 -5.572 -7.890 -8.040 869 1HG1 VAL 118 1HG1 VAL 118 -7.129 -8.950 -5.680 870 2HG1 VAL 118 2HG1 VAL 118 -5.708 -7.907 -5.616 871 3HG1 VAL 118 3HG1 VAL 118 -5.565 -9.557 -6.223 872 1HG2 VAL 118 1HG2 VAL 118 -6.430 -10.155 -8.439 873 2HG2 VAL 118 2HG2 VAL 118 -7.266 -8.959 -9.432 874 3HG2 VAL 118 3HG2 VAL 118 -8.049 -9.618 -7.994 875 H ALA 119 H ALA 119 -9.531 -7.198 -8.962 876 HA ALA 119 HA ALA 119 -8.409 -6.533 -11.486 877 1HB ALA 119 1HB ALA 119 -10.698 -6.604 -12.310 878 2HB ALA 119 2HB ALA 119 -11.305 -6.624 -10.656 879 3HB ALA 119 3HB ALA 119 -10.363 -7.985 -11.265 880 H ASN 120 H ASN 120 -9.297 -4.606 -8.875 881 HA ASN 120 HA ASN 120 -10.272 -2.336 -10.358 882 1HB ASN 120 2HB ASN 120 -9.421 -2.703 -7.487 883 2HB ASN 120 1HB ASN 120 -9.910 -1.145 -8.132 884 1HD2 ASN 120 1HD2 ASN 120 -11.377 -4.167 -9.111 885 2HD2 ASN 120 2HD2 ASN 120 -12.898 -3.914 -8.328 886 H GLY 121 H GLY 121 -7.266 -3.669 -10.068 887 1HA GLY 121 2HA GLY 121 -5.505 -2.398 -11.301 888 2HA GLY 121 1HA GLY 121 -5.915 -1.046 -10.256 889 H GLY 122 H GLY 122 -5.962 -4.184 -8.866 890 1HA GLY 122 2HA GLY 122 -3.661 -3.498 -7.222 891 2HA GLY 122 1HA GLY 122 -4.797 -4.808 -6.932 892 H LYS 123 H LYS 123 -1.871 -4.770 -6.954 893 HA LYS 123 HA LYS 123 -1.397 -6.806 -9.037 894 1HB LYS 123 2HB LYS 123 -0.126 -4.665 -9.336 895 2HB LYS 123 1HB LYS 123 0.640 -4.950 -7.787 896 1HG LYS 123 2HG LYS 123 0.884 -7.217 -9.596 897 2HG LYS 123 1HG LYS 123 1.603 -5.738 -10.234 898 1HD LYS 123 2HD LYS 123 2.171 -6.831 -7.479 899 2HD LYS 123 1HD LYS 123 3.161 -7.180 -8.897 900 1HE LYS 123 2HE LYS 123 3.595 -4.784 -9.179 901 2HE LYS 123 1HE LYS 123 2.613 -4.439 -7.758 902 1HZ LYS 123 1HZ LYS 123 5.017 -4.462 -7.303 903 2HZ LYS 123 2HZ LYS 123 5.069 -6.101 -7.728 904 3HZ LYS 123 3HZ LYS 123 4.165 -5.604 -6.381 905 H LEU 124 H LEU 124 -0.870 -8.765 -8.299 906 HA LEU 124 HA LEU 124 0.428 -8.976 -5.706 907 1HB LEU 124 2HB LEU 124 -0.941 -10.912 -5.048 908 2HB LEU 124 1HB LEU 124 -1.843 -9.423 -5.123 909 HG LEU 124 HG LEU 124 -3.236 -11.210 -5.871 910 1HD1 LEU 124 1HD1 LEU 124 -3.932 -10.496 -8.054 911 2HD1 LEU 124 2HD1 LEU 124 -2.387 -9.694 -8.323 912 3HD1 LEU 124 3HD1 LEU 124 -3.485 -9.092 -7.082 913 1HD2 LEU 124 1HD2 LEU 124 -1.583 -12.850 -6.480 914 2HD2 LEU 124 2HD2 LEU 124 -1.110 -11.894 -7.885 915 3HD2 LEU 124 3HD2 LEU 124 -2.720 -12.610 -7.810 916 HA PRO 125 HA PRO 125 3.121 -11.799 -7.816 917 1HB PRO 125 2HB PRO 125 3.395 -13.191 -5.226 918 2HB PRO 125 1HB PRO 125 4.630 -12.390 -6.203 919 1HG PRO 125 2HG PRO 125 3.765 -11.324 -3.902 920 2HG PRO 125 1HG PRO 125 4.187 -10.311 -5.296 921 1HD PRO 125 2HD PRO 125 1.485 -11.146 -4.311 922 2HD PRO 125 1HD PRO 125 2.022 -9.566 -4.918 923 HA PRO 126 HA PRO 126 0.682 -15.312 -8.812 924 1HB PRO 126 2HB PRO 126 3.116 -16.941 -9.105 925 2HB PRO 126 1HB PRO 126 1.934 -16.459 -10.323 926 1HG PRO 126 2HG PRO 126 4.396 -15.398 -10.269 927 2HG PRO 126 1HG PRO 126 2.979 -14.436 -10.732 928 1HD PRO 126 2HD PRO 126 4.449 -14.513 -8.122 929 2HD PRO 126 1HD PRO 126 3.818 -13.113 -9.016 930 H GLU 127 H GLU 127 1.963 -15.100 -5.913 931 HA GLU 127 HA GLU 127 1.890 -17.884 -5.108 932 1HB GLU 127 2HB GLU 127 2.051 -15.451 -3.322 933 2HB GLU 127 1HB GLU 127 2.510 -17.102 -2.924 934 1HG GLU 127 2HG GLU 127 4.267 -16.913 -4.722 935 2HG GLU 127 1HG GLU 127 3.889 -15.193 -4.775 936 H ILE 128 H ILE 128 -0.213 -15.171 -5.345 937 HA ILE 128 HA ILE 128 -2.196 -16.530 -3.649 938 HB ILE 128 HB ILE 128 -2.264 -13.612 -4.415 939 1HG1 ILE 128 2HG1 ILE 128 -1.779 -13.414 -1.837 940 2HG1 ILE 128 1HG1 ILE 128 -1.039 -14.995 -2.053 941 1HG2 ILE 128 1HG2 ILE 128 -3.776 -15.158 -2.319 942 2HG2 ILE 128 2HG2 ILE 128 -4.411 -14.695 -3.895 943 3HG2 ILE 128 3HG2 ILE 128 -3.982 -13.450 -2.719 944 1HD1 ILE 128 1HD1 ILE 128 0.614 -13.233 -2.180 945 2HD1 ILE 128 2HD1 ILE 128 -0.275 -12.471 -3.499 946 3HD1 ILE 128 3HD1 ILE 128 0.463 -14.056 -3.732 947 H LYS 129 H LYS 129 -2.597 -17.863 -5.544 948 HA LYS 129 HA LYS 129 -4.991 -16.945 -6.801 949 1HB LYS 129 2HB LYS 129 -2.551 -17.409 -8.490 950 2HB LYS 129 1HB LYS 129 -4.142 -17.798 -9.123 951 1HG LYS 129 2HG LYS 129 -4.642 -15.320 -8.289 952 2HG LYS 129 1HG LYS 129 -2.906 -15.169 -8.567 953 1HD LYS 129 2HD LYS 129 -4.103 -14.528 -10.563 954 2HD LYS 129 1HD LYS 129 -3.238 -16.039 -10.861 955 1HE LYS 129 2HE LYS 129 -5.267 -17.310 -10.577 956 2HE LYS 129 1HE LYS 129 -6.151 -15.863 -10.091 957 1HZ LYS 129 1HZ LYS 129 -6.547 -16.532 -12.418 958 2HZ LYS 129 2HZ LYS 129 -4.909 -16.244 -12.764 959 3HZ LYS 129 3HZ LYS 129 -5.912 -14.965 -12.280 960 H HIS 130 H HIS 130 -5.660 -18.632 -5.387 961 HA HIS 130 HA HIS 130 -6.106 -21.054 -6.750 962 1HB HIS 130 2HB HIS 130 -5.037 -22.614 -5.150 963 2HB HIS 130 1HB HIS 130 -3.864 -21.675 -6.059 964 HD1 HIS 130 1HD HIS 130 -5.236 -22.144 -2.597 965 HD2 HIS 130 2HD HIS 130 -2.254 -19.980 -4.532 966 HE1 HIS 130 1HE HIS 130 -3.763 -21.241 -0.779 967 HE2 HIS 130 2HE HIS 130 -1.878 -20.082 -1.971 Start of MODEL 3 1 1H MET 1 1HT MET 1 -24.232 -7.875 0.637 2 2H MET 1 2HT MET 1 -24.818 -7.165 2.067 3 3H MET 1 3HT MET 1 -23.149 -7.299 1.812 4 HA MET 1 HA MET 1 -24.940 -5.728 0.073 5 1HB MET 1 2HB MET 1 -24.920 -4.826 2.393 6 2HB MET 1 1HB MET 1 -23.166 -4.702 2.304 7 1HG MET 1 2HG MET 1 -23.373 -3.131 0.448 8 2HG MET 1 1HG MET 1 -25.126 -3.249 0.541 9 1HE MET 1 1HE MET 1 -23.501 -0.488 0.617 10 2HE MET 1 2HE MET 1 -24.375 0.367 1.888 11 3HE MET 1 3HE MET 1 -25.264 -0.584 0.697 12 H SER 2 H SER 2 -21.647 -5.253 1.363 13 HA SER 2 HA SER 2 -20.467 -5.685 -1.229 14 1HB SER 2 2HB SER 2 -20.570 -2.877 -0.105 15 2HB SER 2 1HB SER 2 -19.673 -3.374 -1.538 16 HG SER 2 HG SER 2 -21.961 -2.415 -1.684 17 H ILE 3 H ILE 3 -19.629 -7.120 0.778 18 HA ILE 3 HA ILE 3 -17.813 -6.045 2.593 19 HB ILE 3 HB ILE 3 -17.783 -8.771 1.316 20 1HG1 ILE 3 2HG1 ILE 3 -19.040 -7.582 3.762 21 2HG1 ILE 3 1HG1 ILE 3 -19.733 -8.667 2.564 22 1HG2 ILE 3 1HG2 ILE 3 -15.552 -8.238 2.127 23 2HG2 ILE 3 2HG2 ILE 3 -16.308 -9.456 3.154 24 3HG2 ILE 3 3HG2 ILE 3 -16.214 -7.779 3.697 25 1HD1 ILE 3 1HD1 ILE 3 -19.461 -9.813 4.656 26 2HD1 ILE 3 2HD1 ILE 3 -17.747 -9.400 4.699 27 3HD1 ILE 3 3HD1 ILE 3 -18.360 -10.494 3.460 28 H PHE 4 H PHE 4 -17.177 -7.231 -0.709 29 HA PHE 4 HA PHE 4 -14.392 -6.868 -0.621 30 1HB PHE 4 2HB PHE 4 -14.620 -6.762 -3.180 31 2HB PHE 4 1HB PHE 4 -15.125 -8.233 -2.362 32 HD1 PHE 4 1HD PHE 4 -17.221 -9.111 -2.739 33 HD2 PHE 4 2HD PHE 4 -16.460 -5.048 -3.750 34 HE1 PHE 4 1HE PHE 4 -19.428 -8.974 -3.821 35 HE2 PHE 4 2HE PHE 4 -18.666 -4.900 -4.830 36 HZ PHE 4 HZ PHE 4 -20.152 -6.865 -4.866 37 H GLY 5 H GLY 5 -16.940 -4.575 -0.935 38 1HA GLY 5 2HA GLY 5 -15.184 -2.510 -2.004 39 2HA GLY 5 1HA GLY 5 -16.891 -2.329 -1.622 40 H LYS 6 H LYS 6 -16.048 -3.776 1.009 41 HA LYS 6 HA LYS 6 -15.595 -1.306 2.480 42 1HB LYS 6 2HB LYS 6 -16.113 -4.113 3.492 43 2HB LYS 6 1HB LYS 6 -16.134 -2.645 4.457 44 1HG LYS 6 2HG LYS 6 -18.114 -1.885 3.475 45 2HG LYS 6 1HG LYS 6 -17.980 -3.011 2.124 46 1HD LYS 6 2HD LYS 6 -19.676 -3.869 3.537 47 2HD LYS 6 1HD LYS 6 -18.251 -4.875 3.796 48 1HE LYS 6 2HE LYS 6 -19.239 -4.393 5.934 49 2HE LYS 6 1HE LYS 6 -17.703 -3.540 5.809 50 1HZ LYS 6 1HZ LYS 6 -18.902 -1.506 5.302 51 2HZ LYS 6 2HZ LYS 6 -19.436 -2.151 6.774 52 3HZ LYS 6 3HZ LYS 6 -20.385 -2.326 5.383 53 H ILE 7 H ILE 7 -13.986 -4.288 1.654 54 HA ILE 7 HA ILE 7 -11.822 -3.893 3.523 55 HB ILE 7 HB ILE 7 -10.796 -5.872 2.457 56 1HG1 ILE 7 2HG1 ILE 7 -13.290 -5.918 0.741 57 2HG1 ILE 7 1HG1 ILE 7 -11.694 -5.449 0.170 58 1HG2 ILE 7 1HG2 ILE 7 -12.484 -7.493 3.179 59 2HG2 ILE 7 2HG2 ILE 7 -13.702 -6.217 3.196 60 3HG2 ILE 7 3HG2 ILE 7 -12.341 -6.153 4.316 61 1HD1 ILE 7 1HD1 ILE 7 -12.507 -8.162 1.187 62 2HD1 ILE 7 2HD1 ILE 7 -10.871 -7.703 0.718 63 3HD1 ILE 7 3HD1 ILE 7 -12.162 -7.710 -0.486 64 H MET 8 H MET 8 -12.473 -3.191 0.167 65 HA MET 8 HA MET 8 -9.760 -2.983 -0.641 66 1HB MET 8 2HB MET 8 -10.603 -2.000 -2.700 67 2HB MET 8 1HB MET 8 -11.540 -3.414 -2.258 68 1HG MET 8 2HG MET 8 -13.137 -1.921 -2.981 69 2HG MET 8 1HG MET 8 -13.194 -1.740 -1.230 70 1HE MET 8 1HE MET 8 -14.490 0.543 -1.451 71 2HE MET 8 2HE MET 8 -14.480 0.381 -3.207 72 3HE MET 8 3HE MET 8 -13.958 1.889 -2.458 73 H SER 9 H SER 9 -11.824 -0.877 1.087 74 HA SER 9 HA SER 9 -10.577 1.584 0.433 75 1HB SER 9 2HB SER 9 -12.086 0.787 2.937 76 2HB SER 9 1HB SER 9 -11.700 2.438 2.453 77 HG SER 9 HG SER 9 -13.138 2.326 0.844 78 H ALA 10 H ALA 10 -9.739 -1.053 2.494 79 HA ALA 10 HA ALA 10 -7.725 0.506 3.912 80 1HB ALA 10 1HB ALA 10 -7.351 -1.525 5.214 81 2HB ALA 10 2HB ALA 10 -8.473 -2.404 4.174 82 3HB ALA 10 3HB ALA 10 -9.058 -1.087 5.189 83 H ILE 11 H ILE 11 -8.030 -1.679 1.256 84 HA ILE 11 HA ILE 11 -5.200 -2.311 1.148 85 HB ILE 11 HB ILE 11 -7.352 -2.872 -0.902 86 1HG1 ILE 11 2HG1 ILE 11 -6.227 -4.671 1.260 87 2HG1 ILE 11 1HG1 ILE 11 -7.835 -3.957 1.264 88 1HG2 ILE 11 1HG2 ILE 11 -4.565 -3.971 -0.559 89 2HG2 ILE 11 2HG2 ILE 11 -5.137 -2.930 -1.862 90 3HG2 ILE 11 3HG2 ILE 11 -5.754 -4.576 -1.714 91 1HD1 ILE 11 1HD1 ILE 11 -7.918 -6.277 0.579 92 2HD1 ILE 11 2HD1 ILE 11 -6.780 -5.952 -0.729 93 3HD1 ILE 11 3HD1 ILE 11 -8.387 -5.227 -0.760 94 H PHE 12 H PHE 12 -7.537 -0.629 -0.949 95 HA PHE 12 HA PHE 12 -5.368 0.375 -2.593 96 1HB PHE 12 2HB PHE 12 -8.372 0.622 -2.835 97 2HB PHE 12 1HB PHE 12 -7.226 1.273 -4.003 98 HD1 PHE 12 1HD PHE 12 -8.600 -1.828 -2.549 99 HD2 PHE 12 2HD PHE 12 -6.126 -0.115 -5.561 100 HE1 PHE 12 1HE PHE 12 -8.519 -3.989 -3.710 101 HE2 PHE 12 2HE PHE 12 -6.041 -2.275 -6.726 102 HZ PHE 12 HZ PHE 12 -7.239 -4.217 -5.800 103 H GLY 13 H GLY 13 -6.372 1.313 0.253 104 1HA GLY 13 2HA GLY 13 -6.498 4.182 -0.382 105 2HA GLY 13 1HA GLY 13 -7.044 3.456 1.122 106 H ASP 14 H ASP 14 -4.135 2.085 0.118 107 HA ASP 14 HA ASP 14 -2.774 3.418 2.290 108 1HB ASP 14 2HB ASP 14 -2.423 1.033 2.124 109 2HB ASP 14 1HB ASP 14 -1.839 1.197 0.468 110 H SER 15 H SER 15 -1.804 5.236 2.023 111 HA SER 15 HA SER 15 0.185 5.483 -0.086 112 1HB SER 15 2HB SER 15 -1.827 7.668 0.536 113 2HB SER 15 1HB SER 15 -0.488 7.789 -0.607 114 HG SER 15 HG SER 15 -1.882 5.622 -1.237 115 H ALA 16 H ALA 16 0.005 4.927 2.812 116 HA ALA 16 HA ALA 16 2.064 6.458 3.887 117 1HB ALA 16 1HB ALA 16 -0.644 7.428 4.799 118 2HB ALA 16 2HB ALA 16 0.483 8.332 3.789 119 3HB ALA 16 3HB ALA 16 0.917 7.931 5.451 120 H ALA 17 H ALA 17 -0.765 4.487 4.338 121 HA ALA 17 HA ALA 17 -0.434 3.854 7.070 122 1HB ALA 17 1HB ALA 17 -2.544 3.523 5.850 123 2HB ALA 17 2HB ALA 17 -2.006 2.046 6.650 124 3HB ALA 17 3HB ALA 17 -1.787 2.237 4.912 125 H ALA 18 H ALA 18 0.610 2.236 4.089 126 HA ALA 18 HA ALA 18 2.569 0.749 5.722 127 1HB ALA 18 1HB ALA 18 1.134 -0.246 3.258 128 2HB ALA 18 2HB ALA 18 0.869 -0.797 4.913 129 3HB ALA 18 3HB ALA 18 2.412 -1.106 4.117 130 H SER 19 H SER 19 2.021 1.164 2.244 131 HA SER 19 HA SER 19 3.369 1.799 0.547 132 1HB SER 19 2HB SER 19 4.657 3.600 2.609 133 2HB SER 19 1HB SER 19 4.742 3.788 0.855 134 HG SER 19 HG SER 19 2.182 3.558 1.730 135 HA PRO 20 HA PRO 20 6.657 -1.169 1.659 136 1HB PRO 20 2HB PRO 20 6.680 -2.399 -0.766 137 2HB PRO 20 1HB PRO 20 5.537 -2.812 0.515 138 1HG PRO 20 2HG PRO 20 5.144 -1.084 -1.892 139 2HG PRO 20 1HG PRO 20 4.048 -2.285 -1.181 140 1HD PRO 20 2HD PRO 20 3.758 0.384 -0.781 141 2HD PRO 20 1HD PRO 20 3.289 -0.824 0.432 142 H GLY 21 H GLY 21 8.685 -0.471 1.619 143 1HA GLY 21 2HA GLY 21 10.744 0.009 0.664 144 2HA GLY 21 1HA GLY 21 9.958 0.142 -0.902 145 H GLY 22 H GLY 22 11.780 1.840 1.056 146 1HA GLY 22 2HA GLY 22 12.352 4.087 0.723 147 2HA GLY 22 1HA GLY 22 10.801 4.346 -0.061 148 H ALA 23 H ALA 23 9.361 3.071 2.173 149 HA ALA 23 HA ALA 23 9.225 5.414 3.876 150 1HB ALA 23 1HB ALA 23 7.482 2.951 3.807 151 2HB ALA 23 2HB ALA 23 7.154 4.466 2.967 152 3HB ALA 23 3HB ALA 23 7.165 4.420 4.731 153 H GLN 24 H GLN 24 9.178 5.228 6.198 154 HA GLN 24 HA GLN 24 11.073 3.225 7.169 155 1HB GLN 24 2HB GLN 24 9.903 5.666 8.512 156 2HB GLN 24 1HB GLN 24 11.092 4.596 9.237 157 1HG GLN 24 2HG GLN 24 12.669 5.180 7.437 158 2HG GLN 24 1HG GLN 24 11.477 6.306 6.790 159 1HE2 GLN 24 1HE2 GLN 24 14.180 6.766 7.832 160 2HE2 GLN 24 2HE2 GLN 24 14.003 7.945 9.094 161 H ALA 25 H ALA 25 10.612 1.852 8.916 162 HA ALA 25 HA ALA 25 7.914 0.997 9.202 163 1HB ALA 25 1HB ALA 25 8.785 -0.525 10.907 164 2HB ALA 25 2HB ALA 25 10.321 0.340 10.905 165 3HB ALA 25 3HB ALA 25 9.806 -0.545 9.469 166 HA PRO 26 HA PRO 26 6.447 4.082 12.005 167 1HB PRO 26 2HB PRO 26 4.800 1.843 13.072 168 2HB PRO 26 1HB PRO 26 4.296 3.441 12.512 169 1HG PRO 26 2HG PRO 26 3.884 1.285 11.005 170 2HG PRO 26 1HG PRO 26 4.374 2.826 10.274 171 1HD PRO 26 2HD PRO 26 5.992 0.369 10.789 172 2HD PRO 26 1HD PRO 26 6.068 1.507 9.430 173 H ALA 27 H ALA 27 8.022 4.551 13.438 174 HA ALA 27 HA ALA 27 8.186 2.863 15.848 175 1HB ALA 27 1HB ALA 27 10.171 2.473 14.458 176 2HB ALA 27 2HB ALA 27 10.583 3.272 15.976 177 3HB ALA 27 3HB ALA 27 10.518 4.203 14.481 178 H THR 28 H THR 28 9.390 4.170 17.636 179 HA THR 28 HA THR 28 7.828 6.522 18.089 180 HB THR 28 HB THR 28 10.175 5.551 19.727 181 HG1 THR 28 1HG THR 28 8.711 3.845 19.557 182 1HG2 THR 28 1HG2 THR 28 9.370 7.805 20.268 183 2HG2 THR 28 2HG2 THR 28 9.010 6.667 21.567 184 3HG2 THR 28 3HG2 THR 28 7.734 7.173 20.458 185 H THR 29 H THR 29 8.273 8.408 17.185 186 HA THR 29 HA THR 29 11.057 9.330 17.170 187 HB THR 29 HB THR 29 10.451 8.621 14.874 188 HG1 THR 29 1HG THR 29 11.600 10.246 14.172 189 1HG2 THR 29 1HG2 THR 29 8.048 9.036 14.952 190 2HG2 THR 29 2HG2 THR 29 8.788 9.894 13.601 191 3HG2 THR 29 3HG2 THR 29 8.341 10.772 15.064 192 H GLY 30 H GLY 30 11.264 11.664 17.185 193 1HA GLY 30 2HA GLY 30 9.405 12.820 19.029 194 2HA GLY 30 1HA GLY 30 10.830 13.600 18.358 195 H ALA 31 H ALA 31 7.665 13.994 18.613 196 HA ALA 31 HA ALA 31 7.135 14.864 15.882 197 1HB ALA 31 1HB ALA 31 4.867 15.305 16.678 198 2HB ALA 31 2HB ALA 31 5.365 14.911 18.326 199 3HB ALA 31 3HB ALA 31 5.378 13.664 17.079 200 H ALA 32 H ALA 32 8.831 16.120 18.286 201 HA ALA 32 HA ALA 32 7.761 18.746 18.552 202 1HB ALA 32 1HB ALA 32 9.245 17.803 20.248 203 2HB ALA 32 2HB ALA 32 9.914 19.296 19.587 204 3HB ALA 32 3HB ALA 32 10.557 17.737 19.073 205 H GLY 33 H GLY 33 7.891 20.383 17.155 206 1HA GLY 33 2HA GLY 33 8.761 21.775 15.520 207 2HA GLY 33 1HA GLY 33 10.151 20.703 15.380 208 H THR 34 H THR 34 10.245 19.334 13.737 209 HA THR 34 HA THR 34 9.743 18.246 11.814 210 HB THR 34 HB THR 34 6.884 18.206 12.796 211 HG1 THR 34 1HG THR 34 8.741 17.365 14.224 212 1HG2 THR 34 1HG2 THR 34 8.429 16.334 10.994 213 2HG2 THR 34 2HG2 THR 34 7.182 17.472 10.482 214 3HG2 THR 34 3HG2 THR 34 6.762 16.112 11.523 215 H ALA 35 H ALA 35 10.198 19.978 10.444 216 HA ALA 35 HA ALA 35 8.064 21.823 9.725 217 1HB ALA 35 1HB ALA 35 10.887 21.606 8.668 218 2HB ALA 35 2HB ALA 35 10.356 22.664 9.975 219 3HB ALA 35 3HB ALA 35 9.752 22.916 8.338 220 HA PRO 36 HA PRO 36 6.817 19.036 6.460 221 1HB PRO 36 2HB PRO 36 4.885 21.116 5.770 222 2HB PRO 36 1HB PRO 36 4.591 19.480 6.366 223 1HG PRO 36 2HG PRO 36 4.124 21.686 7.865 224 2HG PRO 36 1HG PRO 36 4.628 20.140 8.570 225 1HD PRO 36 2HD PRO 36 6.261 22.587 8.002 226 2HD PRO 36 1HD PRO 36 6.307 21.500 9.408 227 H THR 37 H THR 37 8.387 19.085 4.918 228 HA THR 37 HA THR 37 8.938 21.484 3.424 229 HB THR 37 HB THR 37 10.762 19.910 3.929 230 HG1 THR 37 1HG THR 37 10.126 20.804 1.414 231 1HG2 THR 37 1HG2 THR 37 9.282 18.018 2.096 232 2HG2 THR 37 2HG2 THR 37 9.563 17.801 3.822 233 3HG2 THR 37 3HG2 THR 37 10.922 17.773 2.699 234 H ALA 38 H ALA 38 6.830 18.817 3.179 235 HA ALA 38 HA ALA 38 5.233 18.190 1.712 236 1HB ALA 38 1HB ALA 38 4.224 19.874 0.287 237 2HB ALA 38 2HB ALA 38 5.606 20.940 0.535 238 3HB ALA 38 3HB ALA 38 4.549 20.537 1.888 239 HA PRO 39 HA PRO 39 8.150 16.910 -1.542 240 1HB PRO 39 2HB PRO 39 6.993 14.279 -1.263 241 2HB PRO 39 1HB PRO 39 8.627 14.809 -0.861 242 1HG PRO 39 2HG PRO 39 6.773 14.045 1.002 243 2HG PRO 39 1HG PRO 39 8.102 15.168 1.334 244 1HD PRO 39 2HD PRO 39 5.224 15.755 0.755 245 2HD PRO 39 1HD PRO 39 6.312 16.512 1.939 246 H GLN 40 H GLN 40 5.066 17.639 -1.514 247 HA GLN 40 HA GLN 40 3.416 17.873 -3.032 248 1HB GLN 40 2HB GLN 40 5.426 16.670 -4.937 249 2HB GLN 40 1HB GLN 40 3.845 17.262 -5.427 250 1HG GLN 40 2HG GLN 40 5.963 18.936 -4.095 251 2HG GLN 40 1HG GLN 40 5.676 18.868 -5.832 252 1HE2 GLN 40 1HE2 GLN 40 5.197 21.035 -5.960 253 2HE2 GLN 40 2HE2 GLN 40 3.728 21.708 -5.337 254 HA PRO 41 HA PRO 41 1.120 14.146 -2.726 255 1HB PRO 41 2HB PRO 41 -0.501 15.013 -5.024 256 2HB PRO 41 1HB PRO 41 -0.986 14.758 -3.347 257 1HG PRO 41 2HG PRO 41 -0.806 17.218 -4.415 258 2HG PRO 41 1HG PRO 41 -0.413 16.902 -2.716 259 1HD PRO 41 2HD PRO 41 1.422 17.296 -5.045 260 2HD PRO 41 1HD PRO 41 1.577 17.880 -3.375 261 H THR 42 H THR 42 1.459 12.154 -3.451 262 HA THR 42 HA THR 42 2.171 11.791 -6.291 263 HB THR 42 HB THR 42 2.967 9.992 -3.990 264 HG1 THR 42 1HG THR 42 3.907 12.369 -4.498 265 1HG2 THR 42 1HG2 THR 42 2.903 8.878 -6.165 266 2HG2 THR 42 2HG2 THR 42 4.567 9.076 -5.616 267 3HG2 THR 42 3HG2 THR 42 3.915 10.147 -6.859 268 H ALA 43 H ALA 43 0.676 10.775 -7.431 269 HA ALA 43 HA ALA 43 -1.549 9.463 -6.171 270 1HB ALA 43 1HB ALA 43 -2.375 9.100 -8.434 271 2HB ALA 43 2HB ALA 43 -0.824 9.617 -9.097 272 3HB ALA 43 3HB ALA 43 -1.838 10.769 -8.227 273 H ALA 44 H ALA 44 -2.229 7.240 -6.732 274 HA ALA 44 HA ALA 44 -0.049 5.423 -7.390 275 1HB ALA 44 1HB ALA 44 -0.416 4.056 -5.388 276 2HB ALA 44 2HB ALA 44 -1.567 5.251 -4.788 277 3HB ALA 44 3HB ALA 44 0.133 5.680 -4.975 278 HA PRO 45 HA PRO 45 -4.058 3.950 -9.070 279 1HB PRO 45 2HB PRO 45 -3.297 3.731 -11.626 280 2HB PRO 45 1HB PRO 45 -3.771 5.285 -10.943 281 1HG PRO 45 2HG PRO 45 -1.039 4.200 -11.484 282 2HG PRO 45 1HG PRO 45 -1.658 5.845 -11.712 283 1HD PRO 45 2HD PRO 45 -0.152 5.012 -9.550 284 2HD PRO 45 1HD PRO 45 -1.225 6.424 -9.551 285 H SER 46 H SER 46 -0.858 2.860 -8.888 286 HA SER 46 HA SER 46 -1.634 0.111 -9.538 287 1HB SER 46 2HB SER 46 0.953 -0.182 -9.529 288 2HB SER 46 1HB SER 46 0.199 0.627 -10.903 289 HG SER 46 HG SER 46 2.111 1.581 -9.454 290 H ILE 47 H ILE 47 -2.234 -0.939 -7.799 291 HA ILE 47 HA ILE 47 -0.966 -0.329 -5.212 292 HB ILE 47 HB ILE 47 -3.611 -1.644 -5.885 293 1HG1 ILE 47 2HG1 ILE 47 -3.644 0.758 -6.174 294 2HG1 ILE 47 1HG1 ILE 47 -4.573 0.329 -4.741 295 1HG2 ILE 47 1HG2 ILE 47 -2.416 -1.145 -3.166 296 2HG2 ILE 47 2HG2 ILE 47 -2.683 -2.718 -3.920 297 3HG2 ILE 47 3HG2 ILE 47 -4.058 -1.704 -3.482 298 1HD1 ILE 47 1HD1 ILE 47 -2.709 0.994 -3.323 299 2HD1 ILE 47 2HD1 ILE 47 -3.218 2.315 -4.376 300 3HD1 ILE 47 3HD1 ILE 47 -1.761 1.397 -4.754 301 H ASP 48 H ASP 48 0.012 -1.974 -4.025 302 HA ASP 48 HA ASP 48 0.049 -4.625 -5.313 303 1HB ASP 48 2HB ASP 48 2.274 -3.325 -5.050 304 2HB ASP 48 1HB ASP 48 2.135 -3.707 -3.338 305 H VAL 49 H VAL 49 -1.100 -6.095 -4.283 306 HA VAL 49 HA VAL 49 -2.345 -5.398 -1.789 307 HB VAL 49 HB VAL 49 -2.590 -7.984 -3.335 308 1HG1 VAL 49 1HG1 VAL 49 -3.434 -8.121 -1.050 309 2HG1 VAL 49 2HG1 VAL 49 -4.756 -8.175 -2.217 310 3HG1 VAL 49 3HG1 VAL 49 -4.426 -6.691 -1.324 311 1HG2 VAL 49 1HG2 VAL 49 -4.177 -5.431 -3.553 312 2HG2 VAL 49 2HG2 VAL 49 -4.622 -6.964 -4.302 313 3HG2 VAL 49 3HG2 VAL 49 -3.141 -6.141 -4.790 314 H ALA 50 H ALA 50 0.379 -7.269 -2.697 315 HA ALA 50 HA ALA 50 0.277 -9.349 -0.841 316 1HB ALA 50 1HB ALA 50 2.746 -8.121 -2.054 317 2HB ALA 50 2HB ALA 50 1.744 -9.369 -2.792 318 3HB ALA 50 3HB ALA 50 2.625 -9.712 -1.307 319 HA PRO 51 HA PRO 51 3.219 -6.977 2.100 320 1HB PRO 51 2HB PRO 51 3.451 -4.276 1.847 321 2HB PRO 51 1HB PRO 51 4.540 -5.422 1.059 322 1HG PRO 51 2HG PRO 51 2.195 -3.956 -0.072 323 2HG PRO 51 1HG PRO 51 3.782 -4.266 -0.797 324 1HD PRO 51 2HD PRO 51 1.585 -5.710 -1.428 325 2HD PRO 51 1HD PRO 51 3.218 -6.407 -1.425 326 H ILE 52 H ILE 52 0.394 -5.229 0.943 327 HA ILE 52 HA ILE 52 -0.231 -3.878 3.328 328 HB ILE 52 HB ILE 52 -2.099 -4.790 1.138 329 1HG1 ILE 52 2HG1 ILE 52 -0.684 -2.143 1.521 330 2HG1 ILE 52 1HG1 ILE 52 -0.203 -3.381 0.369 331 1HG2 ILE 52 1HG2 ILE 52 -2.445 -2.682 3.262 332 2HG2 ILE 52 2HG2 ILE 52 -3.324 -4.206 3.141 333 3HG2 ILE 52 3HG2 ILE 52 -3.548 -2.957 1.917 334 1HD1 ILE 52 1HD1 ILE 52 -2.806 -1.877 0.359 335 2HD1 ILE 52 2HD1 ILE 52 -2.332 -3.122 -0.795 336 3HD1 ILE 52 3HD1 ILE 52 -1.437 -1.603 -0.718 337 H LEU 53 H LEU 53 -1.451 -6.952 2.008 338 HA LEU 53 HA LEU 53 -2.971 -7.461 4.400 339 1HB LEU 53 2HB LEU 53 -2.583 -8.840 1.797 340 2HB LEU 53 1HB LEU 53 -3.126 -9.800 3.160 341 HG LEU 53 HG LEU 53 -5.056 -8.291 3.439 342 1HD1 LEU 53 1HD1 LEU 53 -5.615 -6.690 1.697 343 2HD1 LEU 53 2HD1 LEU 53 -4.078 -7.012 0.892 344 3HD1 LEU 53 3HD1 LEU 53 -4.100 -6.263 2.490 345 1HD2 LEU 53 1HD2 LEU 53 -4.732 -9.502 0.702 346 2HD2 LEU 53 2HD2 LEU 53 -6.265 -9.014 1.425 347 3HD2 LEU 53 3HD2 LEU 53 -5.319 -10.310 2.156 348 H ASP 54 H ASP 54 0.155 -8.330 3.138 349 HA ASP 54 HA ASP 54 0.704 -10.573 4.736 350 1HB ASP 54 2HB ASP 54 2.119 -9.742 2.829 351 2HB ASP 54 1HB ASP 54 2.690 -8.454 3.883 352 H LYS 55 H LYS 55 1.067 -7.109 5.362 353 HA LYS 55 HA LYS 55 2.051 -7.630 8.045 354 1HB LYS 55 2HB LYS 55 1.273 -4.920 6.992 355 2HB LYS 55 1HB LYS 55 2.450 -5.318 8.235 356 1HG LYS 55 2HG LYS 55 2.711 -5.739 5.272 357 2HG LYS 55 1HG LYS 55 3.616 -4.616 6.284 358 1HD LYS 55 2HD LYS 55 4.888 -6.315 7.244 359 2HD LYS 55 1HD LYS 55 3.721 -7.566 6.807 360 1HE LYS 55 2HE LYS 55 4.286 -7.302 4.457 361 2HE LYS 55 1HE LYS 55 5.427 -6.017 4.860 362 1HZ LYS 55 1HZ LYS 55 6.623 -8.037 4.538 363 2HZ LYS 55 2HZ LYS 55 5.615 -8.882 5.607 364 3HZ LYS 55 3HZ LYS 55 6.664 -7.681 6.197 365 H ALA 56 H ALA 56 -0.929 -6.922 6.441 366 HA ALA 56 HA ALA 56 -2.414 -5.930 8.620 367 1HB ALA 56 1HB ALA 56 -3.389 -7.510 6.246 368 2HB ALA 56 2HB ALA 56 -3.207 -5.757 6.318 369 3HB ALA 56 3HB ALA 56 -4.396 -6.566 7.341 370 H VAL 57 H VAL 57 -1.474 -9.149 7.661 371 HA VAL 57 HA VAL 57 -3.233 -10.640 9.291 372 HB VAL 57 HB VAL 57 -0.414 -11.226 8.358 373 1HG1 VAL 57 1HG1 VAL 57 -0.852 -12.503 10.384 374 2HG1 VAL 57 2HG1 VAL 57 -0.819 -13.560 8.973 375 3HG1 VAL 57 3HG1 VAL 57 -2.361 -13.101 9.696 376 1HG2 VAL 57 1HG2 VAL 57 -3.100 -12.198 7.399 377 2HG2 VAL 57 2HG2 VAL 57 -1.540 -12.744 6.786 378 3HG2 VAL 57 3HG2 VAL 57 -2.035 -11.065 6.569 379 H LYS 58 H LYS 58 -0.119 -9.159 9.849 380 HA LYS 58 HA LYS 58 0.157 -10.156 12.525 381 1HB LYS 58 2HB LYS 58 1.746 -7.925 11.269 382 2HB LYS 58 1HB LYS 58 2.260 -9.065 12.507 383 1HG LYS 58 2HG LYS 58 2.187 -10.877 10.884 384 2HG LYS 58 1HG LYS 58 1.645 -9.750 9.642 385 1HD LYS 58 2HD LYS 58 3.973 -10.085 9.336 386 2HD LYS 58 1HD LYS 58 3.759 -8.470 10.008 387 1HE LYS 58 2HE LYS 58 5.614 -9.565 11.114 388 2HE LYS 58 1HE LYS 58 4.282 -9.362 12.252 389 1HZ LYS 58 1HZ LYS 58 3.658 -11.733 11.587 390 2HZ LYS 58 2HZ LYS 58 5.005 -11.527 12.588 391 3HZ LYS 58 3HZ LYS 58 5.224 -11.837 10.936 392 H ALA 59 H ALA 59 -1.052 -7.296 10.974 393 HA ALA 59 HA ALA 59 -1.196 -5.686 13.331 394 1HB ALA 59 1HB ALA 59 -2.593 -4.201 11.965 395 2HB ALA 59 2HB ALA 59 -2.632 -5.421 10.693 396 3HB ALA 59 3HB ALA 59 -1.106 -4.653 11.130 397 H LYS 60 H LYS 60 -3.269 -8.020 11.757 398 HA LYS 60 HA LYS 60 -5.628 -7.508 13.236 399 1HB LYS 60 2HB LYS 60 -5.572 -8.904 11.192 400 2HB LYS 60 1HB LYS 60 -4.634 -10.112 12.056 401 1HG LYS 60 2HG LYS 60 -6.666 -11.049 12.293 402 2HG LYS 60 1HG LYS 60 -6.719 -9.987 13.698 403 1HD LYS 60 2HD LYS 60 -7.877 -9.373 10.979 404 2HD LYS 60 1HD LYS 60 -8.796 -9.888 12.392 405 1HE LYS 60 2HE LYS 60 -8.121 -7.866 13.574 406 2HE LYS 60 1HE LYS 60 -7.164 -7.364 12.182 407 1HZ LYS 60 1HZ LYS 60 -9.251 -7.351 10.879 408 2HZ LYS 60 2HZ LYS 60 -9.235 -6.213 12.131 409 3HZ LYS 60 3HZ LYS 60 -10.120 -7.653 12.303 410 H GLY 61 H GLY 61 -3.062 -9.912 13.654 411 1HA GLY 61 2HA GLY 61 -2.049 -9.818 15.953 412 2HA GLY 61 1HA GLY 61 -3.699 -9.924 16.541 413 H GLU 62 H GLU 62 -4.264 -11.799 14.248 414 HA GLU 62 HA GLU 62 -3.298 -14.203 15.619 415 1HB GLU 62 2HB GLU 62 -5.218 -15.309 14.414 416 2HB GLU 62 1HB GLU 62 -5.676 -14.106 15.610 417 1HG GLU 62 2HG GLU 62 -5.865 -12.461 13.705 418 2HG GLU 62 1HG GLU 62 -5.693 -13.838 12.619 419 H LYS 63 H LYS 63 -2.864 -16.120 14.203 420 HA LYS 63 HA LYS 63 -1.116 -15.250 12.054 421 1HB LYS 63 2HB LYS 63 -0.963 -17.291 13.906 422 2HB LYS 63 1HB LYS 63 -1.436 -18.142 12.443 423 1HG LYS 63 2HG LYS 63 0.983 -16.375 12.774 424 2HG LYS 63 1HG LYS 63 0.972 -18.134 12.685 425 1HD LYS 63 2HD LYS 63 0.075 -16.268 10.488 426 2HD LYS 63 1HD LYS 63 1.639 -17.082 10.557 427 1HE LYS 63 2HE LYS 63 0.488 -19.255 10.522 428 2HE LYS 63 1HE LYS 63 -1.060 -18.419 10.398 429 1HZ LYS 63 1HZ LYS 63 -0.270 -17.432 8.305 430 2HZ LYS 63 2HZ LYS 63 -0.352 -19.124 8.233 431 3HZ LYS 63 3HZ LYS 63 1.151 -18.352 8.417 432 H LEU 64 H LEU 64 -1.781 -15.102 10.029 433 HA LEU 64 HA LEU 64 -4.021 -16.795 9.143 434 1HB LEU 64 2HB LEU 64 -3.552 -13.922 8.346 435 2HB LEU 64 1HB LEU 64 -4.899 -14.935 7.867 436 HG LEU 64 HG LEU 64 -4.349 -13.968 10.673 437 1HD1 LEU 64 1HD1 LEU 64 -5.056 -12.174 9.174 438 2HD1 LEU 64 2HD1 LEU 64 -6.313 -12.561 10.349 439 3HD1 LEU 64 3HD1 LEU 64 -6.455 -13.130 8.685 440 1HD2 LEU 64 1HD2 LEU 64 -5.442 -16.138 10.652 441 2HD2 LEU 64 2HD2 LEU 64 -6.666 -15.526 9.540 442 3HD2 LEU 64 3HD2 LEU 64 -6.562 -14.881 11.178 443 H GLU 65 H GLU 65 -4.164 -17.031 6.795 444 HA GLU 65 HA GLU 65 -1.778 -16.287 5.286 445 1HB GLU 65 2HB GLU 65 -2.099 -18.622 4.096 446 2HB GLU 65 1HB GLU 65 -1.083 -18.453 5.516 447 1HG GLU 65 2HG GLU 65 -3.933 -19.149 5.936 448 2HG GLU 65 1HG GLU 65 -2.868 -20.387 5.274 449 H TRP 66 H TRP 66 -3.044 -14.689 4.406 450 HA TRP 66 HA TRP 66 -5.617 -15.077 3.316 451 1HB TRP 66 2HB TRP 66 -5.290 -12.834 2.323 452 2HB TRP 66 1HB TRP 66 -4.874 -12.880 4.032 453 HD1 TRP 66 HD TRP 66 -2.243 -12.649 4.661 454 HE1 TRP 66 1HE TRP 66 -0.276 -11.600 3.359 455 HE3 TRP 66 3HE TRP 66 -4.349 -12.497 0.004 456 HZ2 TRP 66 2HZ TRP 66 0.293 -10.829 0.705 457 HZ3 TRP 66 3HZ TRP 66 -3.027 -11.591 -1.860 458 HH2 TRP 66 HH TRP 66 -0.754 -10.772 -1.515 459 H ARG 67 H ARG 67 -2.570 -15.907 2.151 460 HA ARG 67 HA ARG 67 -2.850 -15.508 -0.615 461 1HB ARG 67 2HB ARG 67 -1.230 -17.573 0.881 462 2HB ARG 67 1HB ARG 67 -1.030 -17.171 -0.819 463 1HG ARG 67 2HG ARG 67 -0.408 -14.893 -0.213 464 2HG ARG 67 1HG ARG 67 -0.616 -15.291 1.495 465 1HD ARG 67 2HD ARG 67 1.161 -16.920 1.368 466 2HD ARG 67 1HD ARG 67 1.318 -16.659 -0.369 467 HE ARG 67 HE ARG 67 1.679 -14.251 1.138 468 1HH1 ARG 67 1HH1 ARG 67 3.287 -17.167 0.055 469 2HH1 ARG 67 2HH1 ARG 67 4.871 -16.457 0.096 470 1HH2 ARG 67 1HH2 ARG 67 3.738 -13.318 1.224 471 2HH2 ARG 67 2HH2 ARG 67 5.139 -14.246 0.770 472 H THR 68 H THR 68 -4.027 -18.027 1.510 473 HA THR 68 HA THR 68 -5.184 -19.352 -0.848 474 HB THR 68 HB THR 68 -3.309 -20.672 0.112 475 HG1 THR 68 1HG THR 68 -4.447 -22.273 -0.635 476 1HG2 THR 68 1HG2 THR 68 -3.568 -20.056 2.464 477 2HG2 THR 68 2HG2 THR 68 -3.608 -21.807 2.260 478 3HG2 THR 68 3HG2 THR 68 -5.107 -20.914 2.526 479 H SER 69 H SER 69 -5.681 -18.112 2.346 480 HA SER 69 HA SER 69 -8.351 -19.322 2.466 481 1HB SER 69 2HB SER 69 -6.896 -17.814 4.647 482 2HB SER 69 1HB SER 69 -8.342 -18.809 4.815 483 HG SER 69 HG SER 69 -6.082 -19.689 5.323 484 H ILE 70 H ILE 70 -10.050 -18.132 1.905 485 HA ILE 70 HA ILE 70 -9.730 -15.337 1.311 486 HB ILE 70 HB ILE 70 -11.153 -16.801 -0.082 487 1HG1 ILE 70 2HG1 ILE 70 -13.054 -15.242 -0.308 488 2HG1 ILE 70 1HG1 ILE 70 -12.641 -14.528 1.249 489 1HG2 ILE 70 1HG2 ILE 70 -12.996 -16.831 2.300 490 2HG2 ILE 70 2HG2 ILE 70 -12.095 -18.207 1.663 491 3HG2 ILE 70 3HG2 ILE 70 -13.373 -17.464 0.701 492 1HD1 ILE 70 1HD1 ILE 70 -11.842 -13.151 -0.571 493 2HD1 ILE 70 2HD1 ILE 70 -10.921 -14.507 -1.217 494 3HD1 ILE 70 3HD1 ILE 70 -10.490 -13.815 0.346 495 H VAL 71 H VAL 71 -11.068 -17.228 3.912 496 HA VAL 71 HA VAL 71 -12.615 -15.216 5.146 497 HB VAL 71 HB VAL 71 -11.247 -17.572 6.464 498 1HG1 VAL 71 1HG1 VAL 71 -13.628 -15.931 7.318 499 2HG1 VAL 71 2HG1 VAL 71 -12.038 -15.937 8.079 500 3HG1 VAL 71 3HG1 VAL 71 -13.047 -17.385 8.128 501 1HG2 VAL 71 1HG2 VAL 71 -12.615 -18.322 4.603 502 2HG2 VAL 71 2HG2 VAL 71 -13.978 -17.371 5.197 503 3HG2 VAL 71 3HG2 VAL 71 -13.388 -18.747 6.132 504 H ASP 72 H ASP 72 -9.238 -16.061 5.271 505 HA ASP 72 HA ASP 72 -8.522 -14.683 7.609 506 1HB ASP 72 2HB ASP 72 -6.904 -15.548 5.216 507 2HB ASP 72 1HB ASP 72 -6.184 -14.759 6.615 508 H LEU 73 H LEU 73 -8.258 -13.701 4.191 509 HA LEU 73 HA LEU 73 -7.201 -11.144 4.842 510 1HB LEU 73 2HB LEU 73 -7.597 -10.581 2.485 511 2HB LEU 73 1HB LEU 73 -6.744 -12.096 2.683 512 HG LEU 73 HG LEU 73 -9.197 -13.094 2.424 513 1HD1 LEU 73 1HD1 LEU 73 -10.475 -11.821 0.767 514 2HD1 LEU 73 2HD1 LEU 73 -9.321 -10.493 0.899 515 3HD1 LEU 73 3HD1 LEU 73 -10.316 -10.940 2.285 516 1HD2 LEU 73 1HD2 LEU 73 -7.477 -12.125 0.143 517 2HD2 LEU 73 2HD2 LEU 73 -8.711 -13.380 0.041 518 3HD2 LEU 73 3HD2 LEU 73 -7.275 -13.633 1.034 519 H MET 74 H MET 74 -10.444 -12.379 4.376 520 HA MET 74 HA MET 74 -11.850 -10.004 4.140 521 1HB MET 74 2HB MET 74 -12.955 -12.126 3.836 522 2HB MET 74 1HB MET 74 -12.634 -12.583 5.504 523 1HG MET 74 2HG MET 74 -14.135 -10.871 6.302 524 2HG MET 74 1HG MET 74 -14.398 -10.288 4.660 525 1HE MET 74 1HE MET 74 -15.711 -14.496 6.025 526 2HE MET 74 2HE MET 74 -14.904 -13.367 7.115 527 3HE MET 74 3HE MET 74 -14.037 -14.031 5.727 528 H LYS 75 H LYS 75 -11.074 -11.781 7.142 529 HA LYS 75 HA LYS 75 -12.129 -9.695 8.781 530 1HB LYS 75 2HB LYS 75 -10.985 -10.981 10.648 531 2HB LYS 75 1HB LYS 75 -12.210 -11.845 9.734 532 1HG LYS 75 2HG LYS 75 -10.475 -12.975 8.458 533 2HG LYS 75 1HG LYS 75 -9.235 -12.097 9.356 534 1HD LYS 75 2HD LYS 75 -9.851 -13.168 11.396 535 2HD LYS 75 1HD LYS 75 -11.289 -13.875 10.657 536 1HE LYS 75 2HE LYS 75 -9.921 -15.258 9.228 537 2HE LYS 75 1HE LYS 75 -8.457 -14.488 9.836 538 1HZ LYS 75 1HZ LYS 75 -10.341 -16.042 11.518 539 2HZ LYS 75 2HZ LYS 75 -8.836 -15.423 11.987 540 3HZ LYS 75 3HZ LYS 75 -8.920 -16.677 10.842 541 H ALA 76 H ALA 76 -8.920 -10.550 7.646 542 HA ALA 76 HA ALA 76 -7.275 -9.138 9.331 543 1HB ALA 76 1HB ALA 76 -6.508 -10.623 7.523 544 2HB ALA 76 2HB ALA 76 -5.666 -9.074 7.527 545 3HB ALA 76 3HB ALA 76 -6.935 -9.381 6.342 546 H LEU 77 H LEU 77 -8.947 -7.877 6.449 547 HA LEU 77 HA LEU 77 -7.757 -5.298 6.702 548 1HB LEU 77 2HB LEU 77 -9.929 -6.417 4.980 549 2HB LEU 77 1HB LEU 77 -9.671 -4.686 5.048 550 HG LEU 77 HG LEU 77 -8.515 -5.468 3.136 551 1HD1 LEU 77 1HD1 LEU 77 -6.517 -5.099 5.355 552 2HD1 LEU 77 2HD1 LEU 77 -7.291 -3.820 4.422 553 3HD1 LEU 77 3HD1 LEU 77 -6.184 -4.942 3.631 554 1HD2 LEU 77 1HD2 LEU 77 -6.833 -7.250 3.212 555 2HD2 LEU 77 2HD2 LEU 77 -8.438 -7.833 3.654 556 3HD2 LEU 77 3HD2 LEU 77 -7.230 -7.540 4.906 557 H ASP 78 H ASP 78 -11.218 -6.250 7.033 558 HA ASP 78 HA ASP 78 -11.534 -4.108 8.996 559 1HB ASP 78 2HB ASP 78 -11.722 -2.984 6.827 560 2HB ASP 78 1HB ASP 78 -12.970 -4.116 6.332 561 H ILE 79 H ILE 79 -12.440 -7.182 7.938 562 HA ILE 79 HA ILE 79 -15.258 -6.793 8.676 563 HB ILE 79 HB ILE 79 -14.059 -9.141 7.194 564 1HG1 ILE 79 2HG1 ILE 79 -13.799 -7.046 5.923 565 2HG1 ILE 79 1HG1 ILE 79 -14.987 -8.108 5.169 566 1HG2 ILE 79 1HG2 ILE 79 -16.297 -9.763 6.662 567 2HG2 ILE 79 2HG2 ILE 79 -16.940 -8.263 7.325 568 3HG2 ILE 79 3HG2 ILE 79 -16.256 -9.475 8.399 569 1HD1 ILE 79 1HD1 ILE 79 -15.581 -5.718 6.903 570 2HD1 ILE 79 2HD1 ILE 79 -16.782 -6.793 6.190 571 3HD1 ILE 79 3HD1 ILE 79 -15.751 -5.810 5.148 572 H ASP 80 H ASP 80 -16.340 -8.278 10.006 573 HA ASP 80 HA ASP 80 -14.681 -9.181 12.221 574 1HB ASP 80 2HB ASP 80 -17.683 -9.086 11.860 575 2HB ASP 80 1HB ASP 80 -16.883 -9.608 13.338 576 H SER 81 H SER 81 -15.526 -10.585 9.441 577 HA SER 81 HA SER 81 -15.875 -12.652 8.606 578 1HB SER 81 2HB SER 81 -14.468 -14.452 9.705 579 2HB SER 81 1HB SER 81 -13.608 -13.000 9.201 580 HG SER 81 HG SER 81 -14.537 -12.825 11.758 581 H SER 82 H SER 82 -17.909 -11.784 10.549 582 HA SER 82 HA SER 82 -18.694 -14.170 11.951 583 1HB SER 82 2HB SER 82 -19.186 -11.882 12.828 584 2HB SER 82 1HB SER 82 -20.284 -11.634 11.471 585 HG SER 82 HG SER 82 -20.822 -12.740 13.803 586 H LEU 83 H LEU 83 -21.103 -14.871 11.633 587 HA LEU 83 HA LEU 83 -21.209 -16.214 9.193 588 1HB LEU 83 2HB LEU 83 -22.411 -16.831 11.317 589 2HB LEU 83 1HB LEU 83 -23.578 -15.579 10.954 590 HG LEU 83 HG LEU 83 -24.211 -17.994 10.388 591 1HD1 LEU 83 1HD1 LEU 83 -25.524 -16.147 9.584 592 2HD1 LEU 83 2HD1 LEU 83 -25.348 -17.345 8.300 593 3HD1 LEU 83 3HD1 LEU 83 -24.386 -15.866 8.266 594 1HD2 LEU 83 1HD2 LEU 83 -22.311 -17.459 8.110 595 2HD2 LEU 83 2HD2 LEU 83 -23.440 -18.810 8.205 596 3HD2 LEU 83 3HD2 LEU 83 -22.121 -18.680 9.370 597 H SER 84 H SER 84 -22.968 -13.301 10.230 598 HA SER 84 HA SER 84 -24.532 -12.892 7.987 599 1HB SER 84 2HB SER 84 -23.197 -10.649 9.505 600 2HB SER 84 1HB SER 84 -24.789 -10.658 8.745 601 HG SER 84 HG SER 84 -25.611 -11.721 10.404 602 H ALA 85 H ALA 85 -21.165 -12.038 8.552 603 HA ALA 85 HA ALA 85 -20.839 -10.401 6.270 604 1HB ALA 85 1HB ALA 85 -18.456 -10.565 6.723 605 2HB ALA 85 2HB ALA 85 -18.747 -11.900 7.840 606 3HB ALA 85 3HB ALA 85 -19.355 -10.288 8.216 607 H ARG 86 H ARG 86 -19.640 -13.723 6.892 608 HA ARG 86 HA ARG 86 -18.798 -14.085 4.220 609 1HB ARG 86 2HB ARG 86 -18.824 -16.574 4.887 610 2HB ARG 86 1HB ARG 86 -17.717 -15.488 5.708 611 1HG ARG 86 2HG ARG 86 -19.281 -15.354 7.603 612 2HG ARG 86 1HG ARG 86 -20.352 -16.489 6.775 613 1HD ARG 86 2HD ARG 86 -18.775 -18.236 6.918 614 2HD ARG 86 1HD ARG 86 -17.476 -17.133 7.360 615 HE ARG 86 HE ARG 86 -19.566 -17.122 9.297 616 1HH1 ARG 86 1HH1 ARG 86 -16.843 -18.999 8.152 617 2HH1 ARG 86 2HH1 ARG 86 -16.494 -19.688 9.709 618 1HH2 ARG 86 1HH2 ARG 86 -19.112 -18.045 11.363 619 2HH2 ARG 86 2HH2 ARG 86 -17.771 -19.145 11.520 620 H LYS 87 H LYS 87 -21.910 -14.222 5.608 621 HA LYS 87 HA LYS 87 -23.040 -15.980 3.631 622 1HB LYS 87 2HB LYS 87 -24.011 -15.671 5.931 623 2HB LYS 87 1HB LYS 87 -24.500 -14.052 5.451 624 1HG LYS 87 2HG LYS 87 -26.420 -15.025 4.879 625 2HG LYS 87 1HG LYS 87 -25.546 -15.550 3.440 626 1HD LYS 87 2HD LYS 87 -25.996 -17.116 5.978 627 2HD LYS 87 1HD LYS 87 -26.687 -17.444 4.391 628 1HE LYS 87 2HE LYS 87 -24.338 -17.801 3.559 629 2HE LYS 87 1HE LYS 87 -23.804 -17.698 5.238 630 1HZ LYS 87 1HZ LYS 87 -25.529 -19.753 3.983 631 2HZ LYS 87 2HZ LYS 87 -25.476 -19.544 5.665 632 3HZ LYS 87 3HZ LYS 87 -24.069 -19.972 4.821 633 H GLU 88 H GLU 88 -22.949 -12.444 4.194 634 HA GLU 88 HA GLU 88 -24.559 -11.876 1.916 635 1HB GLU 88 2HB GLU 88 -24.005 -9.549 2.230 636 2HB GLU 88 1HB GLU 88 -24.343 -10.270 3.793 637 1HG GLU 88 2HG GLU 88 -22.141 -10.136 4.469 638 2HG GLU 88 1HG GLU 88 -21.536 -10.030 2.814 639 H LEU 89 H LEU 89 -21.070 -11.958 2.487 640 HA LEU 89 HA LEU 89 -20.202 -10.905 0.065 641 1HB LEU 89 2HB LEU 89 -18.719 -11.337 1.945 642 2HB LEU 89 1HB LEU 89 -18.955 -13.063 1.764 643 HG LEU 89 HG LEU 89 -17.821 -12.995 -0.412 644 1HD1 LEU 89 1HD1 LEU 89 -18.429 -10.694 -1.026 645 2HD1 LEU 89 2HD1 LEU 89 -16.697 -10.988 -1.170 646 3HD1 LEU 89 3HD1 LEU 89 -17.327 -10.086 0.209 647 1HD2 LEU 89 1HD2 LEU 89 -16.533 -13.438 1.612 648 2HD2 LEU 89 2HD2 LEU 89 -16.257 -11.708 1.824 649 3HD2 LEU 89 3HD2 LEU 89 -15.570 -12.547 0.433 650 H ALA 90 H ALA 90 -21.036 -14.230 0.918 651 HA ALA 90 HA ALA 90 -20.324 -15.361 -1.569 652 1HB ALA 90 1HB ALA 90 -22.265 -16.383 0.499 653 2HB ALA 90 2HB ALA 90 -20.528 -16.688 0.460 654 3HB ALA 90 3HB ALA 90 -21.564 -17.323 -0.819 655 H LYS 91 H LYS 91 -23.347 -13.953 -0.366 656 HA LYS 91 HA LYS 91 -24.855 -14.971 -2.598 657 1HB LYS 91 2HB LYS 91 -26.761 -13.861 -1.676 658 2HB LYS 91 1HB LYS 91 -25.876 -14.608 -0.358 659 1HG LYS 91 2HG LYS 91 -24.935 -12.452 0.256 660 2HG LYS 91 1HG LYS 91 -25.778 -11.692 -1.096 661 1HD LYS 91 2HD LYS 91 -27.925 -12.342 -0.128 662 2HD LYS 91 1HD LYS 91 -27.092 -13.111 1.222 663 1HE LYS 91 2HE LYS 91 -27.890 -10.951 1.914 664 2HE LYS 91 1HE LYS 91 -26.131 -10.913 1.826 665 1HZ LYS 91 1HZ LYS 91 -27.901 -9.936 -0.350 666 2HZ LYS 91 2HZ LYS 91 -26.221 -9.704 -0.203 667 3HZ LYS 91 3HZ LYS 91 -27.284 -8.939 0.876 668 H GLU 92 H GLU 92 -23.033 -12.077 -1.978 669 HA GLU 92 HA GLU 92 -24.241 -10.530 -4.063 670 1HB GLU 92 2HB GLU 92 -21.403 -10.242 -3.066 671 2HB GLU 92 1HB GLU 92 -22.383 -9.023 -3.864 672 1HG GLU 92 2HG GLU 92 -22.696 -10.101 -1.081 673 2HG GLU 92 1HG GLU 92 -22.221 -8.477 -1.563 674 H LEU 93 H LEU 93 -21.827 -12.982 -3.861 675 HA LEU 93 HA LEU 93 -20.813 -12.478 -6.539 676 1HB LEU 93 2HB LEU 93 -20.074 -14.603 -4.526 677 2HB LEU 93 1HB LEU 93 -19.227 -14.271 -6.024 678 HG LEU 93 HG LEU 93 -19.500 -12.270 -3.787 679 1HD1 LEU 93 1HD1 LEU 93 -17.087 -12.819 -3.370 680 2HD1 LEU 93 2HD1 LEU 93 -17.312 -14.242 -4.388 681 3HD1 LEU 93 3HD1 LEU 93 -18.238 -14.068 -2.901 682 1HD2 LEU 93 1HD2 LEU 93 -17.670 -11.133 -4.967 683 2HD2 LEU 93 2HD2 LEU 93 -19.115 -11.273 -5.966 684 3HD2 LEU 93 3HD2 LEU 93 -17.747 -12.350 -6.241 685 H GLY 94 H GLY 94 -22.621 -14.968 -4.778 686 1HA GLY 94 2HA GLY 94 -24.158 -15.723 -6.991 687 2HA GLY 94 1HA GLY 94 -22.793 -16.826 -6.891 688 H TYR 95 H TYR 95 -22.417 -17.677 -4.578 689 HA TYR 95 HA TYR 95 -23.114 -19.026 -2.887 690 1HB TYR 95 2HB TYR 95 -24.224 -16.839 -2.176 691 2HB TYR 95 1HB TYR 95 -25.705 -17.457 -2.895 692 HD1 TYR 95 1HD TYR 95 -27.194 -18.600 -1.541 693 HD2 TYR 95 2HD TYR 95 -23.096 -18.428 -0.407 694 HE1 TYR 95 1HE TYR 95 -27.742 -19.708 0.585 695 HE2 TYR 95 2HE TYR 95 -23.632 -19.538 1.718 696 HH TYR 95 HH TYR 95 -26.517 -21.123 2.298 697 H SER 96 H SER 96 -23.603 -19.670 -5.658 698 HA SER 96 HA SER 96 -26.216 -20.829 -5.930 699 1HB SER 96 2HB SER 96 -23.838 -21.304 -7.723 700 2HB SER 96 1HB SER 96 -25.549 -21.331 -8.149 701 HG SER 96 HG SER 96 -25.605 -19.066 -7.725 702 H GLY 97 H GLY 97 -24.803 -21.916 -3.704 703 1HA GLY 97 2HA GLY 97 -25.280 -24.638 -4.008 704 2HA GLY 97 1HA GLY 97 -23.562 -24.385 -4.292 705 H ASP 98 H ASP 98 -24.844 -25.846 -2.147 706 HA ASP 98 HA ASP 98 -23.613 -24.407 0.097 707 1HB ASP 98 2HB ASP 98 -25.972 -24.106 0.437 708 2HB ASP 98 1HB ASP 98 -26.293 -25.803 0.096 709 H MET 99 H MET 99 -24.594 -27.448 -1.358 710 HA MET 99 HA MET 99 -23.564 -29.154 0.650 711 1HB MET 99 2HB MET 99 -23.815 -30.952 -0.988 712 2HB MET 99 1HB MET 99 -25.232 -29.915 -0.959 713 1HG MET 99 2HG MET 99 -24.443 -28.786 -2.980 714 2HG MET 99 1HG MET 99 -23.035 -29.848 -3.016 715 1HE MET 99 1HE MET 99 -23.601 -30.577 -5.520 716 2HE MET 99 2HE MET 99 -24.987 -29.487 -5.501 717 3HE MET 99 3HE MET 99 -25.188 -31.159 -6.029 718 H ASN 100 H ASN 100 -21.932 -27.200 -1.523 719 HA ASN 100 HA ASN 100 -19.603 -28.778 -1.962 720 1HB ASN 100 2HB ASN 100 -18.506 -26.542 -2.382 721 2HB ASN 100 1HB ASN 100 -19.920 -26.877 -3.376 722 1HD2 ASN 100 1HD2 ASN 100 -18.717 -25.028 -0.634 723 2HD2 ASN 100 2HD2 ASN 100 -19.980 -23.846 -0.664 724 H ASP 101 H ASP 101 -20.851 -27.030 0.717 725 HA ASP 101 HA ASP 101 -20.167 -26.840 2.873 726 1HB ASP 101 2HB ASP 101 -19.674 -29.216 2.755 727 2HB ASP 101 1HB ASP 101 -18.112 -28.893 2.009 728 H SER 102 H SER 102 -18.220 -26.158 4.266 729 HA SER 102 HA SER 102 -17.081 -23.823 3.274 730 1HB SER 102 2HB SER 102 -15.894 -25.485 5.502 731 2HB SER 102 1HB SER 102 -15.880 -23.729 5.326 732 HG SER 102 HG SER 102 -17.880 -23.611 6.071 733 H ALA 103 H ALA 103 -16.030 -27.120 3.087 734 HA ALA 103 HA ALA 103 -13.315 -26.950 2.659 735 1HB ALA 103 1HB ALA 103 -15.267 -28.757 1.236 736 2HB ALA 103 2HB ALA 103 -14.557 -29.051 2.825 737 3HB ALA 103 3HB ALA 103 -13.528 -29.023 1.391 738 H SER 104 H SER 104 -15.793 -26.945 0.081 739 HA SER 104 HA SER 104 -13.814 -25.970 -1.801 740 1HB SER 104 2HB SER 104 -16.747 -26.588 -2.226 741 2HB SER 104 1HB SER 104 -15.546 -26.302 -3.488 742 HG SER 104 HG SER 104 -14.568 -28.201 -1.933 743 H MET 105 H MET 105 -16.075 -24.648 0.336 744 HA MET 105 HA MET 105 -16.917 -22.401 -1.186 745 1HB MET 105 2HB MET 105 -18.125 -23.257 0.815 746 2HB MET 105 1HB MET 105 -16.809 -22.670 1.821 747 1HG MET 105 2HG MET 105 -17.261 -20.382 1.064 748 2HG MET 105 1HG MET 105 -18.601 -20.982 0.090 749 1HE MET 105 1HE MET 105 -17.427 -22.050 3.697 750 2HE MET 105 2HE MET 105 -18.474 -21.046 4.698 751 3HE MET 105 3HE MET 105 -17.240 -20.295 3.687 752 H ASN 106 H ASN 106 -14.182 -23.001 0.966 753 HA ASN 106 HA ASN 106 -13.272 -20.330 1.140 754 1HB ASN 106 2HB ASN 106 -12.410 -22.131 2.599 755 2HB ASN 106 1HB ASN 106 -11.636 -22.881 1.207 756 1HD2 ASN 106 1HD2 ASN 106 -9.570 -22.706 1.918 757 2HD2 ASN 106 2HD2 ASN 106 -8.745 -21.202 2.118 758 H ILE 107 H ILE 107 -12.775 -22.881 -1.206 759 HA ILE 107 HA ILE 107 -10.710 -21.601 -2.671 760 HB ILE 107 HB ILE 107 -12.613 -23.741 -3.629 761 1HG1 ILE 107 2HG1 ILE 107 -9.900 -24.067 -2.327 762 2HG1 ILE 107 1HG1 ILE 107 -11.433 -24.316 -1.499 763 1HG2 ILE 107 1HG2 ILE 107 -11.365 -22.667 -5.426 764 2HG2 ILE 107 2HG2 ILE 107 -10.802 -24.321 -5.178 765 3HG2 ILE 107 3HG2 ILE 107 -9.853 -22.967 -4.568 766 1HD1 ILE 107 1HD1 ILE 107 -11.963 -26.128 -3.059 767 2HD1 ILE 107 2HD1 ILE 107 -10.474 -26.426 -2.164 768 3HD1 ILE 107 3HD1 ILE 107 -10.402 -25.891 -3.845 769 H TRP 108 H TRP 108 -14.144 -22.163 -3.458 770 HA TRP 108 HA TRP 108 -14.182 -20.720 -5.848 771 1HB TRP 108 2HB TRP 108 -15.968 -22.236 -5.360 772 2HB TRP 108 1HB TRP 108 -16.377 -21.376 -3.880 773 HD1 TRP 108 HD TRP 108 -16.679 -21.039 -7.703 774 HE1 TRP 108 1HE TRP 108 -18.556 -19.352 -8.230 775 HE3 TRP 108 3HE TRP 108 -17.699 -19.472 -2.947 776 HZ2 TRP 108 2HZ TRP 108 -20.252 -17.595 -6.800 777 HZ3 TRP 108 3HZ TRP 108 -19.463 -17.794 -2.606 778 HH2 TRP 108 HH TRP 108 -20.708 -16.872 -4.492 779 H LEU 109 H LEU 109 -14.824 -19.655 -2.550 780 HA LEU 109 HA LEU 109 -15.795 -17.084 -3.263 781 1HB LEU 109 2HB LEU 109 -16.104 -18.402 -1.070 782 2HB LEU 109 1HB LEU 109 -14.528 -17.782 -0.626 783 HG LEU 109 HG LEU 109 -15.437 -15.462 -0.915 784 1HD1 LEU 109 1HD1 LEU 109 -17.290 -15.977 -2.400 785 2HD1 LEU 109 2HD1 LEU 109 -17.873 -15.195 -0.931 786 3HD1 LEU 109 3HD1 LEU 109 -18.059 -16.937 -1.135 787 1HD2 LEU 109 1HD2 LEU 109 -16.668 -15.469 1.192 788 2HD2 LEU 109 2HD2 LEU 109 -15.240 -16.501 1.285 789 3HD2 LEU 109 3HD2 LEU 109 -16.839 -17.222 1.093 790 H HIS 110 H HIS 110 -12.614 -18.391 -2.466 791 HA HIS 110 HA HIS 110 -11.261 -15.934 -2.177 792 1HB HIS 110 2HB HIS 110 -10.406 -18.240 -1.513 793 2HB HIS 110 1HB HIS 110 -10.011 -18.483 -3.211 794 HD1 HIS 110 1HD HIS 110 -7.973 -17.164 -4.166 795 HD2 HIS 110 2HD HIS 110 -8.737 -16.464 -0.127 796 HE1 HIS 110 1HE HIS 110 -5.945 -15.965 -3.280 797 HE2 HIS 110 2HE HIS 110 -6.378 -15.653 -0.818 798 H LYS 111 H LYS 111 -12.008 -17.935 -4.958 799 HA LYS 111 HA LYS 111 -10.471 -16.583 -6.888 800 1HB LYS 111 2HB LYS 111 -13.211 -17.685 -7.489 801 2HB LYS 111 1HB LYS 111 -11.796 -17.649 -8.526 802 1HG LYS 111 2HG LYS 111 -12.057 -19.370 -6.075 803 2HG LYS 111 1HG LYS 111 -12.421 -19.902 -7.713 804 1HD LYS 111 2HD LYS 111 -9.743 -18.853 -6.817 805 2HD LYS 111 1HD LYS 111 -10.163 -20.563 -6.907 806 1HE LYS 111 2HE LYS 111 -10.709 -20.158 -9.346 807 2HE LYS 111 1HE LYS 111 -9.952 -18.576 -9.161 808 1HZ LYS 111 1HZ LYS 111 -8.695 -21.243 -8.873 809 2HZ LYS 111 2HZ LYS 111 -7.951 -19.820 -8.324 810 3HZ LYS 111 3HZ LYS 111 -8.293 -20.015 -9.977 811 H GLN 112 H GLN 112 -13.934 -16.295 -6.167 812 HA GLN 112 HA GLN 112 -14.483 -14.245 -7.968 813 1HB GLN 112 2HB GLN 112 -15.878 -15.655 -5.862 814 2HB GLN 112 1HB GLN 112 -16.336 -13.960 -5.905 815 1HG GLN 112 2HG GLN 112 -17.849 -15.223 -7.259 816 2HG GLN 112 1HG GLN 112 -16.872 -14.183 -8.290 817 1HE2 GLN 112 1HE2 GLN 112 -15.732 -17.197 -6.879 818 2HE2 GLN 112 2HE2 GLN 112 -15.616 -18.051 -8.380 819 H VAL 113 H VAL 113 -13.946 -13.976 -4.440 820 HA VAL 113 HA VAL 113 -14.424 -11.222 -4.263 821 HB VAL 113 HB VAL 113 -12.620 -12.905 -2.510 822 1HG1 VAL 113 1HG1 VAL 113 -13.923 -10.239 -1.962 823 2HG1 VAL 113 2HG1 VAL 113 -12.206 -10.501 -2.262 824 3HG1 VAL 113 3HG1 VAL 113 -12.962 -11.181 -0.821 825 1HG2 VAL 113 1HG2 VAL 113 -14.576 -13.044 -1.027 826 2HG2 VAL 113 2HG2 VAL 113 -14.890 -13.779 -2.600 827 3HG2 VAL 113 3HG2 VAL 113 -15.536 -12.180 -2.229 828 H MET 114 H MET 114 -11.412 -13.006 -4.880 829 HA MET 114 HA MET 114 -9.815 -10.628 -4.696 830 1HB MET 114 2HB MET 114 -9.007 -12.999 -4.241 831 2HB MET 114 1HB MET 114 -8.974 -13.220 -5.987 832 1HG MET 114 2HG MET 114 -7.424 -11.304 -6.158 833 2HG MET 114 1HG MET 114 -7.406 -11.196 -4.400 834 1HE MET 114 1HE MET 114 -5.607 -14.616 -6.898 835 2HE MET 114 2HE MET 114 -6.253 -13.113 -7.559 836 3HE MET 114 3HE MET 114 -7.342 -14.309 -6.854 837 H SER 115 H SER 115 -11.513 -12.332 -7.187 838 HA SER 115 HA SER 115 -10.201 -11.215 -9.429 839 1HB SER 115 2HB SER 115 -13.032 -12.271 -9.177 840 2HB SER 115 1HB SER 115 -12.199 -11.943 -10.697 841 HG SER 115 HG SER 115 -11.641 -13.915 -8.751 842 H LYS 116 H LYS 116 -12.460 -9.899 -7.179 843 HA LYS 116 HA LYS 116 -13.115 -7.657 -8.891 844 1HB LYS 116 2HB LYS 116 -13.551 -7.863 -5.907 845 2HB LYS 116 1HB LYS 116 -14.382 -6.811 -7.041 846 1HG LYS 116 2HG LYS 116 -14.649 -9.800 -6.829 847 2HG LYS 116 1HG LYS 116 -15.841 -8.590 -6.355 848 1HD LYS 116 2HD LYS 116 -15.996 -7.863 -8.709 849 2HD LYS 116 1HD LYS 116 -14.862 -9.143 -9.156 850 1HE LYS 116 2HE LYS 116 -16.465 -10.786 -8.153 851 2HE LYS 116 1HE LYS 116 -17.612 -9.461 -7.967 852 1HZ LYS 116 1HZ LYS 116 -18.097 -10.632 -9.970 853 2HZ LYS 116 2HZ LYS 116 -16.497 -10.509 -10.507 854 3HZ LYS 116 3HZ LYS 116 -17.461 -9.118 -10.400 855 H LEU 117 H LEU 117 -11.404 -8.185 -5.844 856 HA LEU 117 HA LEU 117 -10.379 -5.712 -5.342 857 1HB LEU 117 2HB LEU 117 -9.178 -8.419 -4.827 858 2HB LEU 117 1HB LEU 117 -8.491 -6.936 -4.194 859 HG LEU 117 HG LEU 117 -11.259 -7.976 -3.584 860 1HD1 LEU 117 1HD1 LEU 117 -10.362 -8.418 -1.357 861 2HD1 LEU 117 2HD1 LEU 117 -8.762 -7.902 -1.893 862 3HD1 LEU 117 3HD1 LEU 117 -9.502 -9.344 -2.586 863 1HD2 LEU 117 1HD2 LEU 117 -9.738 -5.597 -2.508 864 2HD2 LEU 117 2HD2 LEU 117 -11.291 -6.179 -1.906 865 3HD2 LEU 117 3HD2 LEU 117 -11.164 -5.546 -3.547 866 H VAL 118 H VAL 118 -8.520 -8.304 -7.024 867 HA VAL 118 HA VAL 118 -6.356 -6.522 -7.516 868 HB VAL 118 HB VAL 118 -5.366 -8.285 -8.873 869 1HG1 VAL 118 1HG1 VAL 118 -6.654 -9.390 -6.383 870 2HG1 VAL 118 2HG1 VAL 118 -5.202 -8.390 -6.427 871 3HG1 VAL 118 3HG1 VAL 118 -5.191 -9.994 -7.161 872 1HG2 VAL 118 1HG2 VAL 118 -7.336 -9.088 -10.039 873 2HG2 VAL 118 2HG2 VAL 118 -7.994 -9.720 -8.530 874 3HG2 VAL 118 3HG2 VAL 118 -6.529 -10.423 -9.213 875 H ALA 119 H ALA 119 -9.306 -7.048 -9.124 876 HA ALA 119 HA ALA 119 -8.435 -6.161 -11.714 877 1HB ALA 119 1HB ALA 119 -11.229 -6.324 -10.590 878 2HB ALA 119 2HB ALA 119 -10.399 -7.615 -11.461 879 3HB ALA 119 3HB ALA 119 -10.792 -6.105 -12.286 880 H ASN 120 H ASN 120 -9.155 -4.655 -8.745 881 HA ASN 120 HA ASN 120 -9.938 -2.111 -9.878 882 1HB ASN 120 2HB ASN 120 -9.171 -2.950 -7.078 883 2HB ASN 120 1HB ASN 120 -9.549 -1.286 -7.497 884 1HD2 ASN 120 1HD2 ASN 120 -11.147 -4.111 -8.811 885 2HD2 ASN 120 2HD2 ASN 120 -12.680 -3.847 -8.059 886 H GLY 121 H GLY 121 -7.064 -3.743 -9.768 887 1HA GLY 121 2HA GLY 121 -5.177 -2.588 -10.833 888 2HA GLY 121 1HA GLY 121 -5.532 -1.214 -9.795 889 H GLY 122 H GLY 122 -5.747 -4.395 -8.487 890 1HA GLY 122 2HA GLY 122 -3.471 -3.827 -6.761 891 2HA GLY 122 1HA GLY 122 -4.686 -5.073 -6.505 892 H LYS 123 H LYS 123 -1.567 -4.686 -7.052 893 HA LYS 123 HA LYS 123 -1.173 -6.846 -8.974 894 1HB LYS 123 2HB LYS 123 0.187 -4.686 -8.926 895 2HB LYS 123 1HB LYS 123 0.902 -5.262 -7.432 896 1HG LYS 123 2HG LYS 123 1.056 -6.868 -9.961 897 2HG LYS 123 1HG LYS 123 2.207 -5.582 -9.600 898 1HD LYS 123 2HD LYS 123 2.820 -6.704 -7.522 899 2HD LYS 123 1HD LYS 123 1.653 -7.981 -7.860 900 1HE LYS 123 2HE LYS 123 2.907 -8.462 -9.963 901 2HE LYS 123 1HE LYS 123 4.130 -7.310 -9.433 902 1HZ LYS 123 1HZ LYS 123 4.796 -9.526 -8.842 903 2HZ LYS 123 2HZ LYS 123 3.336 -9.802 -8.039 904 3HZ LYS 123 3HZ LYS 123 4.436 -8.670 -7.420 905 H LEU 124 H LEU 124 -0.331 -8.843 -8.427 906 HA LEU 124 HA LEU 124 0.319 -9.298 -5.618 907 1HB LEU 124 2HB LEU 124 -0.829 -11.510 -5.666 908 2HB LEU 124 1HB LEU 124 -1.895 -10.130 -5.669 909 HG LEU 124 HG LEU 124 -2.751 -11.940 -7.053 910 1HD1 LEU 124 1HD1 LEU 124 -3.372 -9.701 -7.686 911 2HD1 LEU 124 2HD1 LEU 124 -3.211 -10.727 -9.111 912 3HD1 LEU 124 3HD1 LEU 124 -1.946 -9.567 -8.714 913 1HD2 LEU 124 1HD2 LEU 124 -0.274 -11.611 -8.735 914 2HD2 LEU 124 2HD2 LEU 124 -1.681 -12.592 -9.151 915 3HD2 LEU 124 3HD2 LEU 124 -0.701 -13.007 -7.744 916 HA PRO 125 HA PRO 125 3.680 -11.656 -7.340 917 1HB PRO 125 2HB PRO 125 4.375 -13.103 -5.177 918 2HB PRO 125 1HB PRO 125 4.676 -11.363 -5.262 919 1HG PRO 125 2HG PRO 125 2.472 -12.838 -3.877 920 2HG PRO 125 1HG PRO 125 3.431 -11.461 -3.303 921 1HD PRO 125 2HD PRO 125 0.918 -11.214 -4.353 922 2HD PRO 125 1HD PRO 125 2.147 -9.936 -4.438 923 HA PRO 126 HA PRO 126 2.049 -15.566 -8.629 924 1HB PRO 126 2HB PRO 126 4.687 -16.818 -8.237 925 2HB PRO 126 1HB PRO 126 3.758 -16.597 -9.720 926 1HG PRO 126 2HG PRO 126 5.967 -15.165 -9.238 927 2HG PRO 126 1HG PRO 126 4.570 -14.463 -10.073 928 1HD PRO 126 2HD PRO 126 5.428 -14.151 -7.221 929 2HD PRO 126 1HD PRO 126 4.803 -12.931 -8.351 930 H GLU 127 H GLU 127 2.959 -15.050 -5.535 931 HA GLU 127 HA GLU 127 2.869 -17.716 -4.488 932 1HB GLU 127 2HB GLU 127 2.540 -15.013 -3.167 933 2HB GLU 127 1HB GLU 127 2.610 -16.538 -2.294 934 1HG GLU 127 2HG GLU 127 4.808 -15.512 -4.075 935 2HG GLU 127 1HG GLU 127 4.743 -15.265 -2.332 936 H ILE 128 H ILE 128 0.607 -15.241 -5.328 937 HA ILE 128 HA ILE 128 -1.592 -16.926 -4.329 938 HB ILE 128 HB ILE 128 -1.744 -13.954 -4.903 939 1HG1 ILE 128 2HG1 ILE 128 -2.131 -13.911 -2.320 940 2HG1 ILE 128 1HG1 ILE 128 -1.268 -15.443 -2.333 941 1HG2 ILE 128 1HG2 ILE 128 -3.696 -15.843 -3.597 942 2HG2 ILE 128 2HG2 ILE 128 -3.843 -15.135 -5.205 943 3HG2 ILE 128 3HG2 ILE 128 -3.916 -14.100 -3.780 944 1HD1 ILE 128 1HD1 ILE 128 0.658 -14.342 -3.352 945 2HD1 ILE 128 2HD1 ILE 128 0.213 -13.595 -1.817 946 3HD1 ILE 128 3HD1 ILE 128 -0.213 -12.809 -3.337 947 H LYS 129 H LYS 129 -2.053 -18.154 -6.070 948 HA LYS 129 HA LYS 129 -1.821 -17.145 -8.717 949 1HB LYS 129 2HB LYS 129 -3.014 -19.409 -9.266 950 2HB LYS 129 1HB LYS 129 -1.344 -19.382 -8.739 951 1HG LYS 129 2HG LYS 129 -2.231 -21.117 -7.534 952 2HG LYS 129 1HG LYS 129 -2.331 -19.792 -6.385 953 1HD LYS 129 2HD LYS 129 -4.717 -19.464 -7.264 954 2HD LYS 129 1HD LYS 129 -4.522 -21.066 -7.984 955 1HE LYS 129 2HE LYS 129 -4.020 -22.000 -5.798 956 2HE LYS 129 1HE LYS 129 -4.166 -20.401 -5.074 957 1HZ LYS 129 1HZ LYS 129 -6.303 -22.078 -6.251 958 2HZ LYS 129 2HZ LYS 129 -6.515 -20.416 -5.981 959 3HZ LYS 129 3HZ LYS 129 -6.197 -21.457 -4.674 960 H HIS 130 H HIS 130 -4.598 -18.070 -6.727 961 HA HIS 130 HA HIS 130 -6.348 -16.102 -7.331 962 1HB HIS 130 2HB HIS 130 -5.895 -17.447 -9.712 963 2HB HIS 130 1HB HIS 130 -7.393 -18.163 -9.121 964 HD1 HIS 130 1HD HIS 130 -6.070 -15.234 -10.853 965 HD2 HIS 130 2HD HIS 130 -9.483 -16.156 -8.655 966 HE1 HIS 130 1HE HIS 130 -7.737 -13.432 -11.394 967 HE2 HIS 130 2HE HIS 130 -9.855 -14.120 -10.212 Start of MODEL 4 1 1H MET 1 1HT MET 1 -25.264 -6.081 1.461 2 2H MET 1 2HT MET 1 -23.777 -6.878 1.637 3 3H MET 1 3HT MET 1 -24.314 -6.416 0.091 4 HA MET 1 HA MET 1 -24.242 -4.064 0.847 5 1HB MET 1 2HB MET 1 -24.030 -5.134 3.327 6 2HB MET 1 1HB MET 1 -22.330 -4.863 2.971 7 1HG MET 1 2HG MET 1 -24.455 -2.744 2.785 8 2HG MET 1 1HG MET 1 -23.445 -3.014 4.200 9 1HE MET 1 1HE MET 1 -22.095 0.349 2.672 10 2HE MET 1 2HE MET 1 -22.792 -0.424 4.096 11 3HE MET 1 3HE MET 1 -23.766 -0.216 2.642 12 H SER 2 H SER 2 -22.051 -6.800 0.883 13 HA SER 2 HA SER 2 -20.706 -7.386 -0.874 14 1HB SER 2 2HB SER 2 -20.591 -4.461 -1.639 15 2HB SER 2 1HB SER 2 -19.913 -5.803 -2.558 16 HG SER 2 HG SER 2 -22.542 -6.229 -2.006 17 H ILE 3 H ILE 3 -19.560 -7.859 1.100 18 HA ILE 3 HA ILE 3 -17.703 -6.211 2.329 19 HB ILE 3 HB ILE 3 -17.485 -9.187 1.885 20 1HG1 ILE 3 2HG1 ILE 3 -18.733 -7.540 4.089 21 2HG1 ILE 3 1HG1 ILE 3 -19.543 -8.655 3.002 22 1HG2 ILE 3 1HG2 ILE 3 -15.342 -8.258 2.527 23 2HG2 ILE 3 2HG2 ILE 3 -16.032 -9.174 3.868 24 3HG2 ILE 3 3HG2 ILE 3 -16.094 -7.411 3.880 25 1HD1 ILE 3 1HD1 ILE 3 -18.305 -10.513 4.017 26 2HD1 ILE 3 2HD1 ILE 3 -19.307 -9.643 5.180 27 3HD1 ILE 3 3HD1 ILE 3 -17.564 -9.376 5.145 28 H PHE 4 H PHE 4 -17.363 -8.065 -0.659 29 HA PHE 4 HA PHE 4 -14.589 -7.855 -0.955 30 1HB PHE 4 2HB PHE 4 -15.007 -8.166 -3.403 31 2HB PHE 4 1HB PHE 4 -15.789 -9.363 -2.380 32 HD1 PHE 4 1HD PHE 4 -16.353 -6.363 -4.455 33 HD2 PHE 4 2HD PHE 4 -18.128 -9.627 -2.390 34 HE1 PHE 4 1HE PHE 4 -18.496 -5.893 -5.563 35 HE2 PHE 4 2HE PHE 4 -20.280 -9.160 -3.483 36 HZ PHE 4 HZ PHE 4 -20.466 -7.291 -5.076 37 H GLY 5 H GLY 5 -17.109 -5.527 -1.540 38 1HA GLY 5 2HA GLY 5 -15.275 -3.693 -2.871 39 2HA GLY 5 1HA GLY 5 -16.987 -3.422 -2.567 40 H LYS 6 H LYS 6 -16.452 -4.380 0.269 41 HA LYS 6 HA LYS 6 -15.929 -1.743 1.323 42 1HB LYS 6 2HB LYS 6 -16.632 -4.341 2.707 43 2HB LYS 6 1HB LYS 6 -16.576 -2.757 3.478 44 1HG LYS 6 2HG LYS 6 -18.430 -1.979 2.280 45 2HG LYS 6 1HG LYS 6 -18.330 -3.290 1.105 46 1HD LYS 6 2HD LYS 6 -20.185 -3.733 2.546 47 2HD LYS 6 1HD LYS 6 -18.905 -4.876 2.947 48 1HE LYS 6 2HE LYS 6 -20.071 -3.877 4.907 49 2HE LYS 6 1HE LYS 6 -18.321 -3.668 4.901 50 1HZ LYS 6 1HZ LYS 6 -20.061 -1.685 5.335 51 2HZ LYS 6 2HZ LYS 6 -19.819 -1.511 3.666 52 3HZ LYS 6 3HZ LYS 6 -18.497 -1.451 4.725 53 H ILE 7 H ILE 7 -14.312 -4.869 1.226 54 HA ILE 7 HA ILE 7 -12.302 -4.146 3.126 55 HB ILE 7 HB ILE 7 -11.085 -6.165 2.319 56 1HG1 ILE 7 2HG1 ILE 7 -13.509 -6.501 0.538 57 2HG1 ILE 7 1HG1 ILE 7 -11.881 -6.122 -0.013 58 1HG2 ILE 7 1HG2 ILE 7 -12.691 -7.767 3.219 59 2HG2 ILE 7 2HG2 ILE 7 -13.978 -6.574 3.049 60 3HG2 ILE 7 3HG2 ILE 7 -12.650 -6.282 4.173 61 1HD1 ILE 7 1HD1 ILE 7 -12.355 -8.454 -0.355 62 2HD1 ILE 7 2HD1 ILE 7 -12.764 -8.654 1.349 63 3HD1 ILE 7 3HD1 ILE 7 -11.107 -8.277 0.878 64 H MET 8 H MET 8 -12.538 -3.985 -0.387 65 HA MET 8 HA MET 8 -9.779 -3.531 -0.844 66 1HB MET 8 2HB MET 8 -10.451 -2.810 -3.097 67 2HB MET 8 1HB MET 8 -11.209 -4.322 -2.635 68 1HG MET 8 2HG MET 8 -12.895 -3.144 -3.704 69 2HG MET 8 1HG MET 8 -13.236 -2.906 -1.995 70 1HE MET 8 1HE MET 8 -11.334 0.288 -4.733 71 2HE MET 8 2HE MET 8 -11.889 -1.285 -5.303 72 3HE MET 8 3HE MET 8 -10.491 -1.177 -4.237 73 H SER 9 H SER 9 -12.259 -1.566 0.367 74 HA SER 9 HA SER 9 -11.379 0.985 -0.425 75 1HB SER 9 2HB SER 9 -13.611 0.528 0.556 76 2HB SER 9 1HB SER 9 -12.847 0.178 2.104 77 HG SER 9 HG SER 9 -12.591 2.245 2.468 78 H ALA 10 H ALA 10 -10.397 -1.177 2.158 79 HA ALA 10 HA ALA 10 -8.734 0.857 3.405 80 1HB ALA 10 1HB ALA 10 -8.268 -0.835 5.085 81 2HB ALA 10 2HB ALA 10 -9.100 -2.052 4.118 82 3HB ALA 10 3HB ALA 10 -10.004 -0.705 4.808 83 H ILE 11 H ILE 11 -8.407 -1.029 0.763 84 HA ILE 11 HA ILE 11 -5.533 -1.492 1.201 85 HB ILE 11 HB ILE 11 -7.346 -2.752 -0.866 86 1HG1 ILE 11 2HG1 ILE 11 -6.079 -3.961 1.604 87 2HG1 ILE 11 1HG1 ILE 11 -7.778 -3.525 1.449 88 1HG2 ILE 11 1HG2 ILE 11 -5.067 -2.522 -1.678 89 2HG2 ILE 11 2HG2 ILE 11 -5.434 -4.213 -1.347 90 3HG2 ILE 11 3HG2 ILE 11 -4.450 -3.289 -0.214 91 1HD1 ILE 11 1HD1 ILE 11 -8.016 -5.166 -0.351 92 2HD1 ILE 11 2HD1 ILE 11 -7.464 -5.901 1.153 93 3HD1 ILE 11 3HD1 ILE 11 -6.320 -5.611 -0.158 94 H PHE 12 H PHE 12 -7.793 -0.661 -1.430 95 HA PHE 12 HA PHE 12 -5.627 0.603 -2.903 96 1HB PHE 12 2HB PHE 12 -8.529 0.144 -3.630 97 2HB PHE 12 1HB PHE 12 -7.319 0.835 -4.705 98 HD1 PHE 12 1HD PHE 12 -8.385 -2.221 -2.955 99 HD2 PHE 12 2HD PHE 12 -5.724 -0.532 -5.810 100 HE1 PHE 12 1HE PHE 12 -7.743 -4.478 -3.684 101 HE2 PHE 12 2HE PHE 12 -5.078 -2.786 -6.545 102 HZ PHE 12 HZ PHE 12 -6.087 -4.763 -5.481 103 H GLY 13 H GLY 13 -7.835 1.529 -0.605 104 1HA GLY 13 2HA GLY 13 -8.094 4.250 -1.704 105 2HA GLY 13 1HA GLY 13 -9.155 3.545 -0.493 106 H ASP 14 H ASP 14 -6.140 2.584 0.351 107 HA ASP 14 HA ASP 14 -5.886 4.852 2.207 108 1HB ASP 14 2HB ASP 14 -6.227 2.423 3.071 109 2HB ASP 14 1HB ASP 14 -4.547 2.186 2.609 110 H SER 15 H SER 15 -3.728 5.539 2.771 111 HA SER 15 HA SER 15 -1.543 4.699 1.062 112 1HB SER 15 2HB SER 15 -2.501 7.576 1.075 113 2HB SER 15 1HB SER 15 -1.056 6.973 0.263 114 HG SER 15 HG SER 15 -2.928 5.434 -0.615 115 H ALA 16 H ALA 16 -2.424 4.871 3.962 116 HA ALA 16 HA ALA 16 -0.122 6.429 4.963 117 1HB ALA 16 1HB ALA 16 -2.755 5.907 6.342 118 2HB ALA 16 2HB ALA 16 -2.243 7.430 5.617 119 3HB ALA 16 3HB ALA 16 -1.390 6.797 7.023 120 H ALA 17 H ALA 17 -2.080 3.523 5.325 121 HA ALA 17 HA ALA 17 -0.731 2.444 7.553 122 1HB ALA 17 1HB ALA 17 -2.944 1.688 6.857 123 2HB ALA 17 2HB ALA 17 -1.816 0.339 6.967 124 3HB ALA 17 3HB ALA 17 -2.251 0.998 5.391 125 H ALA 18 H ALA 18 -0.451 1.513 4.107 126 HA ALA 18 HA ALA 18 2.304 0.674 4.679 127 1HB ALA 18 1HB ALA 18 0.897 -1.324 4.727 128 2HB ALA 18 2HB ALA 18 2.000 -1.347 3.350 129 3HB ALA 18 3HB ALA 18 0.299 -0.943 3.113 130 H SER 19 H SER 19 3.746 1.317 3.217 131 HA SER 19 HA SER 19 3.008 1.725 0.453 132 1HB SER 19 2HB SER 19 2.509 3.917 1.563 133 2HB SER 19 1HB SER 19 4.197 4.010 2.055 134 HG SER 19 HG SER 19 3.839 5.163 0.134 135 HA PRO 20 HA PRO 20 7.156 -0.034 0.823 136 1HB PRO 20 2HB PRO 20 7.120 -1.401 -1.498 137 2HB PRO 20 1HB PRO 20 6.281 -1.974 -0.053 138 1HG PRO 20 2HG PRO 20 5.180 -0.615 -2.470 139 2HG PRO 20 1HG PRO 20 4.487 -1.933 -1.510 140 1HD PRO 20 2HD PRO 20 3.754 0.722 -1.297 141 2HD PRO 20 1HD PRO 20 3.529 -0.494 -0.023 142 H GLY 21 H GLY 21 9.123 0.516 -0.051 143 1HA GLY 21 2HA GLY 21 9.954 1.318 -2.435 144 2HA GLY 21 1HA GLY 21 9.096 2.758 -1.907 145 H GLY 22 H GLY 22 10.944 4.034 -1.824 146 1HA GLY 22 2HA GLY 22 13.238 3.214 -0.283 147 2HA GLY 22 1HA GLY 22 12.999 4.778 -1.049 148 H ALA 23 H ALA 23 11.784 2.822 1.650 149 HA ALA 23 HA ALA 23 11.175 5.265 3.138 150 1HB ALA 23 1HB ALA 23 10.618 2.380 3.823 151 2HB ALA 23 2HB ALA 23 9.476 3.505 3.091 152 3HB ALA 23 3HB ALA 23 10.060 3.785 4.731 153 H GLN 24 H GLN 24 12.213 5.847 5.002 154 HA GLN 24 HA GLN 24 14.674 4.364 5.620 155 1HB GLN 24 2HB GLN 24 13.925 7.246 6.156 156 2HB GLN 24 1HB GLN 24 15.421 6.493 6.690 157 1HG GLN 24 2HG GLN 24 14.568 6.767 3.816 158 2HG GLN 24 1HG GLN 24 15.669 7.863 4.650 159 1HE2 GLN 24 1HE2 GLN 24 15.265 4.704 3.267 160 2HE2 GLN 24 2HE2 GLN 24 16.938 4.256 3.285 161 H ALA 25 H ALA 25 15.060 3.639 7.659 162 HA ALA 25 HA ALA 25 12.874 3.180 9.385 163 1HB ALA 25 1HB ALA 25 14.800 1.678 9.265 164 2HB ALA 25 2HB ALA 25 14.516 2.228 10.915 165 3HB ALA 25 3HB ALA 25 15.825 2.931 9.966 166 HA PRO 26 HA PRO 26 12.695 6.961 11.641 167 1HB PRO 26 2HB PRO 26 11.706 5.381 13.924 168 2HB PRO 26 1HB PRO 26 10.904 6.663 13.012 169 1HG PRO 26 2HG PRO 26 10.162 4.099 12.767 170 2HG PRO 26 1HG PRO 26 10.135 5.213 11.388 171 1HD PRO 26 2HD PRO 26 12.151 3.108 12.087 172 2HD PRO 26 1HD PRO 26 11.472 3.534 10.501 173 H ALA 27 H ALA 27 14.947 7.261 11.846 174 HA ALA 27 HA ALA 27 15.873 6.814 14.596 175 1HB ALA 27 1HB ALA 27 17.583 6.652 12.107 176 2HB ALA 27 2HB ALA 27 17.108 5.297 13.129 177 3HB ALA 27 3HB ALA 27 18.170 6.551 13.767 178 H THR 28 H THR 28 15.619 8.779 15.439 179 HA THR 28 HA THR 28 16.845 11.052 14.027 180 HB THR 28 HB THR 28 14.193 11.229 15.475 181 HG1 THR 28 1HG THR 28 14.795 10.400 12.923 182 1HG2 THR 28 1HG2 THR 28 15.450 13.331 15.349 183 2HG2 THR 28 2HG2 THR 28 14.008 13.391 14.337 184 3HG2 THR 28 3HG2 THR 28 15.591 13.144 13.600 185 H THR 29 H THR 29 17.638 12.705 15.392 186 HA THR 29 HA THR 29 18.794 11.864 17.790 187 HB THR 29 HB THR 29 18.324 14.759 17.111 188 HG1 THR 29 1HG THR 29 20.376 14.399 15.857 189 1HG2 THR 29 1HG2 THR 29 19.483 14.265 19.211 190 2HG2 THR 29 2HG2 THR 29 20.579 15.013 18.049 191 3HG2 THR 29 3HG2 THR 29 20.654 13.275 18.337 192 H GLY 30 H GLY 30 15.803 13.590 17.146 193 1HA GLY 30 2HA GLY 30 14.112 12.996 18.971 194 2HA GLY 30 1HA GLY 30 15.280 13.765 20.039 195 H ALA 31 H ALA 31 15.212 15.908 20.311 196 HA ALA 31 HA ALA 31 13.039 17.420 19.281 197 1HB ALA 31 1HB ALA 31 14.038 17.895 21.462 198 2HB ALA 31 2HB ALA 31 14.080 19.320 20.425 199 3HB ALA 31 3HB ALA 31 15.544 18.369 20.677 200 H ALA 32 H ALA 32 16.347 16.965 18.329 201 HA ALA 32 HA ALA 32 16.234 19.012 16.282 202 1HB ALA 32 1HB ALA 32 18.352 16.939 16.848 203 2HB ALA 32 2HB ALA 32 18.341 18.597 17.448 204 3HB ALA 32 3HB ALA 32 18.491 18.288 15.720 205 H GLY 33 H GLY 33 14.865 18.534 14.686 206 1HA GLY 33 2HA GLY 33 15.201 15.918 13.367 207 2HA GLY 33 1HA GLY 33 13.611 16.622 13.627 208 H THR 34 H THR 34 16.746 17.704 12.315 209 HA THR 34 HA THR 34 15.566 19.411 10.387 210 HB THR 34 HB THR 34 18.315 18.158 10.232 211 HG1 THR 34 1HG THR 34 18.301 19.129 12.197 212 1HG2 THR 34 1HG2 THR 34 18.899 20.204 9.025 213 2HG2 THR 34 2HG2 THR 34 17.240 20.782 9.181 214 3HG2 THR 34 3HG2 THR 34 17.587 19.351 8.211 215 H ALA 35 H ALA 35 14.413 18.785 8.696 216 HA ALA 35 HA ALA 35 15.214 16.378 7.217 217 1HB ALA 35 1HB ALA 35 13.395 15.688 8.690 218 2HB ALA 35 2HB ALA 35 12.866 15.688 7.005 219 3HB ALA 35 3HB ALA 35 12.389 17.001 8.081 220 HA PRO 36 HA PRO 36 14.876 19.004 3.679 221 1HB PRO 36 2HB PRO 36 13.912 16.588 2.258 222 2HB PRO 36 1HB PRO 36 15.292 17.629 1.897 223 1HG PRO 36 2HG PRO 36 15.646 15.200 2.935 224 2HG PRO 36 1HG PRO 36 16.662 16.567 3.431 225 1HD PRO 36 2HD PRO 36 14.362 15.296 4.863 226 2HD PRO 36 1HD PRO 36 15.898 15.905 5.514 227 H THR 37 H THR 37 13.304 20.350 3.125 228 HA THR 37 HA THR 37 10.528 19.560 3.539 229 HB THR 37 HB THR 37 10.223 22.100 2.946 230 HG1 THR 37 1HG THR 37 12.495 22.258 2.271 231 1HG2 THR 37 1HG2 THR 37 10.680 22.695 5.293 232 2HG2 THR 37 2HG2 THR 37 11.543 21.170 5.500 233 3HG2 THR 37 3HG2 THR 37 9.815 21.164 5.152 234 H ALA 38 H ALA 38 12.031 18.529 1.253 235 HA ALA 38 HA ALA 38 10.558 19.777 -0.963 236 1HB ALA 38 1HB ALA 38 13.052 18.090 -1.065 237 2HB ALA 38 2HB ALA 38 12.985 19.845 -1.219 238 3HB ALA 38 3HB ALA 38 12.241 18.825 -2.449 239 HA PRO 39 HA PRO 39 8.510 15.741 -0.919 240 1HB PRO 39 2HB PRO 39 6.082 16.935 -1.687 241 2HB PRO 39 1HB PRO 39 6.555 16.489 -0.047 242 1HG PRO 39 2HG PRO 39 6.149 19.097 -1.022 243 2HG PRO 39 1HG PRO 39 6.897 18.653 0.521 244 1HD PRO 39 2HD PRO 39 8.178 19.437 -2.053 245 2HD PRO 39 1HD PRO 39 8.720 19.720 -0.384 246 H GLN 40 H GLN 40 8.660 14.471 -2.685 247 HA GLN 40 HA GLN 40 8.372 15.734 -5.324 248 1HB GLN 40 2HB GLN 40 10.489 14.530 -4.888 249 2HB GLN 40 1HB GLN 40 9.576 13.050 -4.621 250 1HG GLN 40 2HG GLN 40 8.749 13.169 -6.931 251 2HG GLN 40 1HG GLN 40 9.728 14.611 -7.189 252 1HE2 GLN 40 1HE2 GLN 40 10.932 13.688 -8.798 253 2HE2 GLN 40 2HE2 GLN 40 12.099 12.441 -8.519 254 HA PRO 41 HA PRO 41 4.502 13.457 -5.589 255 1HB PRO 41 2HB PRO 41 3.948 15.052 -7.930 256 2HB PRO 41 1HB PRO 41 3.186 15.136 -6.340 257 1HG PRO 41 2HG PRO 41 4.777 17.111 -7.369 258 2HG PRO 41 1HG PRO 41 4.556 16.824 -5.634 259 1HD PRO 41 2HD PRO 41 6.811 15.988 -7.424 260 2HD PRO 41 1HD PRO 41 6.866 16.632 -5.766 261 H THR 42 H THR 42 4.656 11.471 -6.440 262 HA THR 42 HA THR 42 5.135 11.210 -9.309 263 HB THR 42 HB THR 42 6.642 9.578 -7.248 264 HG1 THR 42 1HG THR 42 7.193 11.940 -8.332 265 1HG2 THR 42 1HG2 THR 42 6.731 9.490 -10.268 266 2HG2 THR 42 2HG2 THR 42 6.063 8.246 -9.212 267 3HG2 THR 42 3HG2 THR 42 7.793 8.591 -9.184 268 H ALA 43 H ALA 43 3.760 9.803 -10.214 269 HA ALA 43 HA ALA 43 1.641 8.716 -8.696 270 1HB ALA 43 1HB ALA 43 0.831 7.827 -10.798 271 2HB ALA 43 2HB ALA 43 2.396 8.138 -11.549 272 3HB ALA 43 3HB ALA 43 1.395 9.485 -11.006 273 H ALA 44 H ALA 44 0.915 6.394 -9.181 274 HA ALA 44 HA ALA 44 3.069 4.461 -9.000 275 1HB ALA 44 1HB ALA 44 0.985 4.774 -6.831 276 2HB ALA 44 2HB ALA 44 2.715 5.076 -6.665 277 3HB ALA 44 3HB ALA 44 2.132 3.439 -6.963 278 HA PRO 45 HA PRO 45 -0.417 3.302 -11.636 279 1HB PRO 45 2HB PRO 45 1.009 2.003 -13.492 280 2HB PRO 45 1HB PRO 45 0.980 3.762 -13.404 281 1HG PRO 45 2HG PRO 45 3.058 1.850 -12.404 282 2HG PRO 45 1HG PRO 45 3.272 3.380 -13.276 283 1HD PRO 45 2HD PRO 45 3.528 3.140 -10.570 284 2HD PRO 45 1HD PRO 45 3.019 4.642 -11.370 285 H SER 46 H SER 46 1.096 1.584 -9.398 286 HA SER 46 HA SER 46 -0.611 -0.701 -9.850 287 1HB SER 46 2HB SER 46 1.627 -1.247 -10.932 288 2HB SER 46 1HB SER 46 2.325 -1.169 -9.317 289 HG SER 46 HG SER 46 0.078 -2.751 -9.521 290 H ILE 47 H ILE 47 -1.364 -1.474 -7.983 291 HA ILE 47 HA ILE 47 -0.419 -0.197 -5.509 292 HB ILE 47 HB ILE 47 -3.042 -1.555 -6.166 293 1HG1 ILE 47 2HG1 ILE 47 -2.794 0.676 -7.155 294 2HG1 ILE 47 1HG1 ILE 47 -4.009 0.688 -5.884 295 1HG2 ILE 47 1HG2 ILE 47 -2.453 -1.992 -3.855 296 2HG2 ILE 47 2HG2 ILE 47 -3.804 -0.863 -3.950 297 3HG2 ILE 47 3HG2 ILE 47 -2.183 -0.272 -3.580 298 1HD1 ILE 47 1HD1 ILE 47 -2.398 1.682 -4.346 299 2HD1 ILE 47 2HD1 ILE 47 -2.607 2.673 -5.792 300 3HD1 ILE 47 3HD1 ILE 47 -1.174 1.661 -5.615 301 H ASP 48 H ASP 48 1.024 -1.456 -4.453 302 HA ASP 48 HA ASP 48 1.071 -4.302 -4.882 303 1HB ASP 48 2HB ASP 48 3.079 -2.652 -4.471 304 2HB ASP 48 1HB ASP 48 2.723 -2.958 -2.772 305 H VAL 49 H VAL 49 -0.361 -5.543 -3.891 306 HA VAL 49 HA VAL 49 -1.659 -4.577 -1.485 307 HB VAL 49 HB VAL 49 -2.251 -7.072 -3.095 308 1HG1 VAL 49 1HG1 VAL 49 -3.173 -7.158 -0.851 309 2HG1 VAL 49 2HG1 VAL 49 -4.458 -6.948 -2.039 310 3HG1 VAL 49 3HG1 VAL 49 -3.915 -5.575 -1.076 311 1HG2 VAL 49 1HG2 VAL 49 -2.458 -5.101 -4.495 312 2HG2 VAL 49 2HG2 VAL 49 -3.475 -4.323 -3.282 313 3HG2 VAL 49 3HG2 VAL 49 -4.051 -5.762 -4.126 314 H ALA 50 H ALA 50 0.815 -6.756 -2.357 315 HA ALA 50 HA ALA 50 0.511 -8.807 -0.506 316 1HB ALA 50 1HB ALA 50 2.098 -8.876 -2.375 317 2HB ALA 50 2HB ALA 50 2.856 -9.295 -0.839 318 3HB ALA 50 3HB ALA 50 3.112 -7.698 -1.542 319 HA PRO 51 HA PRO 51 3.340 -6.383 2.621 320 1HB PRO 51 2HB PRO 51 3.318 -3.648 2.337 321 2HB PRO 51 1HB PRO 51 4.601 -4.701 1.735 322 1HG PRO 51 2HG PRO 51 2.281 -3.511 0.272 323 2HG PRO 51 1HG PRO 51 3.964 -3.694 -0.254 324 1HD PRO 51 2HD PRO 51 2.036 -5.354 -1.103 325 2HD PRO 51 1HD PRO 51 3.686 -5.930 -0.786 326 H ILE 52 H ILE 52 0.471 -4.821 1.289 327 HA ILE 52 HA ILE 52 -0.410 -3.603 3.678 328 HB ILE 52 HB ILE 52 -2.032 -4.484 1.281 329 1HG1 ILE 52 2HG1 ILE 52 -0.785 -1.828 2.025 330 2HG1 ILE 52 1HG1 ILE 52 -0.309 -2.870 0.691 331 1HG2 ILE 52 1HG2 ILE 52 -3.736 -2.905 2.065 332 2HG2 ILE 52 2HG2 ILE 52 -2.771 -2.582 3.505 333 3HG2 ILE 52 3HG2 ILE 52 -3.454 -4.186 3.246 334 1HD1 ILE 52 1HD1 ILE 52 -2.912 -1.381 0.964 335 2HD1 ILE 52 2HD1 ILE 52 -2.515 -2.496 -0.344 336 3HD1 ILE 52 3HD1 ILE 52 -1.586 -1.011 -0.140 337 H LEU 53 H LEU 53 -1.110 -6.770 2.223 338 HA LEU 53 HA LEU 53 -2.951 -7.408 4.358 339 1HB LEU 53 2HB LEU 53 -1.969 -9.052 2.030 340 2HB LEU 53 1HB LEU 53 -3.187 -9.576 3.177 341 HG LEU 53 HG LEU 53 -3.414 -7.295 1.216 342 1HD1 LEU 53 1HD1 LEU 53 -4.899 -9.905 1.449 343 2HD1 LEU 53 2HD1 LEU 53 -3.680 -9.508 0.237 344 3HD1 LEU 53 3HD1 LEU 53 -5.213 -8.636 0.264 345 1HD2 LEU 53 1HD2 LEU 53 -5.699 -7.030 2.058 346 2HD2 LEU 53 2HD2 LEU 53 -4.499 -6.685 3.303 347 3HD2 LEU 53 3HD2 LEU 53 -5.368 -8.219 3.318 348 H ASP 54 H ASP 54 0.301 -8.312 3.326 349 HA ASP 54 HA ASP 54 0.647 -10.471 5.093 350 1HB ASP 54 2HB ASP 54 2.143 -10.017 3.182 351 2HB ASP 54 1HB ASP 54 2.765 -8.596 4.019 352 H LYS 55 H LYS 55 1.307 -7.004 5.503 353 HA LYS 55 HA LYS 55 2.296 -7.343 8.166 354 1HB LYS 55 2HB LYS 55 1.680 -5.037 6.406 355 2HB LYS 55 1HB LYS 55 1.600 -4.739 8.136 356 1HG LYS 55 2HG LYS 55 3.777 -4.259 7.880 357 2HG LYS 55 1HG LYS 55 3.970 -6.005 7.991 358 1HD LYS 55 2HD LYS 55 3.598 -4.576 5.369 359 2HD LYS 55 1HD LYS 55 5.186 -4.833 6.092 360 1HE LYS 55 2HE LYS 55 3.212 -6.990 5.359 361 2HE LYS 55 1HE LYS 55 4.634 -6.541 4.418 362 1HZ LYS 55 1HZ LYS 55 4.684 -7.594 7.195 363 2HZ LYS 55 2HZ LYS 55 6.039 -7.225 6.241 364 3HZ LYS 55 3HZ LYS 55 5.007 -8.502 5.801 365 H ALA 56 H ALA 56 -0.832 -6.848 6.714 366 HA ALA 56 HA ALA 56 -2.206 -6.106 9.081 367 1HB ALA 56 1HB ALA 56 -4.240 -6.617 7.845 368 2HB ALA 56 2HB ALA 56 -3.292 -7.429 6.596 369 3HB ALA 56 3HB ALA 56 -3.117 -5.690 6.846 370 H VAL 57 H VAL 57 -1.072 -9.118 7.831 371 HA VAL 57 HA VAL 57 -2.824 -10.906 9.106 372 HB VAL 57 HB VAL 57 0.106 -11.238 8.423 373 1HG1 VAL 57 1HG1 VAL 57 -1.903 -13.347 9.200 374 2HG1 VAL 57 2HG1 VAL 57 -0.528 -12.817 10.171 375 3HG1 VAL 57 3HG1 VAL 57 -0.259 -13.646 8.636 376 1HG2 VAL 57 1HG2 VAL 57 -0.754 -12.543 6.523 377 2HG2 VAL 57 2HG2 VAL 57 -1.288 -10.863 6.479 378 3HG2 VAL 57 3HG2 VAL 57 -2.401 -12.130 7.002 379 H LYS 58 H LYS 58 0.299 -9.611 10.167 380 HA LYS 58 HA LYS 58 0.079 -10.839 12.750 381 1HB LYS 58 2HB LYS 58 2.192 -9.753 13.227 382 2HB LYS 58 1HB LYS 58 2.251 -10.503 11.639 383 1HG LYS 58 2HG LYS 58 1.645 -8.189 10.727 384 2HG LYS 58 1HG LYS 58 2.073 -7.593 12.331 385 1HD LYS 58 2HD LYS 58 3.849 -9.137 10.454 386 2HD LYS 58 1HD LYS 58 3.963 -7.419 10.829 387 1HE LYS 58 2HE LYS 58 4.500 -7.914 13.135 388 2HE LYS 58 1HE LYS 58 4.275 -9.637 12.846 389 1HZ LYS 58 1HZ LYS 58 6.604 -9.087 12.837 390 2HZ LYS 58 2HZ LYS 58 6.373 -7.912 11.638 391 3HZ LYS 58 3HZ LYS 58 6.138 -9.556 11.274 392 H ALA 59 H ALA 59 -0.801 -7.818 11.327 393 HA ALA 59 HA ALA 59 -0.955 -6.311 13.749 394 1HB ALA 59 1HB ALA 59 -2.175 -4.672 12.412 395 2HB ALA 59 2HB ALA 59 -2.308 -5.836 11.092 396 3HB ALA 59 3HB ALA 59 -0.724 -5.224 11.571 397 H LYS 60 H LYS 60 -3.150 -8.334 11.904 398 HA LYS 60 HA LYS 60 -5.454 -7.726 13.468 399 1HB LYS 60 2HB LYS 60 -5.259 -8.816 11.090 400 2HB LYS 60 1HB LYS 60 -5.134 -10.316 12.000 401 1HG LYS 60 2HG LYS 60 -7.429 -9.953 11.372 402 2HG LYS 60 1HG LYS 60 -7.270 -9.761 13.122 403 1HD LYS 60 2HD LYS 60 -7.095 -7.301 12.775 404 2HD LYS 60 1HD LYS 60 -7.428 -7.559 11.062 405 1HE LYS 60 2HE LYS 60 -9.569 -8.674 11.753 406 2HE LYS 60 1HE LYS 60 -9.238 -8.127 13.398 407 1HZ LYS 60 1HZ LYS 60 -10.705 -6.608 12.216 408 2HZ LYS 60 2HZ LYS 60 -9.520 -6.364 11.030 409 3HZ LYS 60 3HZ LYS 60 -9.243 -5.848 12.618 410 H GLY 61 H GLY 61 -3.071 -10.361 13.448 411 1HA GLY 61 2HA GLY 61 -2.207 -10.680 15.801 412 2HA GLY 61 1HA GLY 61 -3.891 -10.913 16.235 413 H GLU 62 H GLU 62 -4.267 -12.418 13.623 414 HA GLU 62 HA GLU 62 -3.555 -14.990 14.816 415 1HB GLU 62 2HB GLU 62 -5.278 -14.544 12.386 416 2HB GLU 62 1HB GLU 62 -5.263 -15.933 13.464 417 1HG GLU 62 2HG GLU 62 -6.206 -14.584 15.240 418 2HG GLU 62 1HG GLU 62 -6.168 -13.170 14.189 419 H LYS 63 H LYS 63 -3.157 -16.772 13.069 420 HA LYS 63 HA LYS 63 -1.143 -15.797 11.190 421 1HB LYS 63 2HB LYS 63 -0.761 -17.865 12.671 422 2HB LYS 63 1HB LYS 63 -1.920 -18.687 11.634 423 1HG LYS 63 2HG LYS 63 0.540 -17.347 10.544 424 2HG LYS 63 1HG LYS 63 0.539 -19.018 11.105 425 1HD LYS 63 2HD LYS 63 -0.916 -19.708 9.412 426 2HD LYS 63 1HD LYS 63 -1.461 -18.063 9.085 427 1HE LYS 63 2HE LYS 63 -0.047 -18.741 7.292 428 2HE LYS 63 1HE LYS 63 0.820 -17.543 8.249 429 1HZ LYS 63 1HZ LYS 63 1.251 -20.478 8.191 430 2HZ LYS 63 2HZ LYS 63 1.905 -19.489 9.400 431 3HZ LYS 63 3HZ LYS 63 2.353 -19.253 7.782 432 H LEU 64 H LEU 64 -2.785 -14.672 10.036 433 HA LEU 64 HA LEU 64 -4.850 -16.054 8.668 434 1HB LEU 64 2HB LEU 64 -3.636 -13.377 8.001 435 2HB LEU 64 1HB LEU 64 -5.211 -13.966 7.498 436 HG LEU 64 HG LEU 64 -4.404 -13.397 10.344 437 1HD1 LEU 64 1HD1 LEU 64 -6.171 -11.841 8.464 438 2HD1 LEU 64 2HD1 LEU 64 -4.570 -11.359 9.023 439 3HD1 LEU 64 3HD1 LEU 64 -5.904 -11.479 10.169 440 1HD2 LEU 64 1HD2 LEU 64 -6.774 -13.684 10.830 441 2HD2 LEU 64 2HD2 LEU 64 -6.071 -15.157 10.163 442 3HD2 LEU 64 3HD2 LEU 64 -7.068 -14.117 9.145 443 H GLU 65 H GLU 65 -4.975 -16.852 6.682 444 HA GLU 65 HA GLU 65 -2.569 -16.687 4.984 445 1HB GLU 65 2HB GLU 65 -2.930 -18.968 5.868 446 2HB GLU 65 1HB GLU 65 -4.541 -18.979 5.164 447 1HG GLU 65 2HG GLU 65 -2.945 -20.227 3.811 448 2HG GLU 65 1HG GLU 65 -3.602 -18.845 2.936 449 H TRP 66 H TRP 66 -3.306 -14.871 3.877 450 HA TRP 66 HA TRP 66 -5.981 -14.839 2.793 451 1HB TRP 66 2HB TRP 66 -5.328 -12.632 1.844 452 2HB TRP 66 1HB TRP 66 -5.114 -12.739 3.584 453 HD1 TRP 66 HD TRP 66 -2.686 -12.418 4.534 454 HE1 TRP 66 1HE TRP 66 -0.468 -11.643 3.481 455 HE3 TRP 66 3HE TRP 66 -3.940 -12.816 -0.409 456 HZ2 TRP 66 2HZ TRP 66 0.613 -11.262 0.907 457 HZ3 TRP 66 3HZ TRP 66 -2.255 -12.221 -2.102 458 HH2 TRP 66 HH TRP 66 -0.028 -11.461 -1.456 459 H ARG 67 H ARG 67 -3.075 -16.146 1.818 460 HA ARG 67 HA ARG 67 -3.128 -15.578 -0.964 461 1HB ARG 67 2HB ARG 67 -1.824 -17.891 0.477 462 2HB ARG 67 1HB ARG 67 -1.470 -17.363 -1.162 463 1HG ARG 67 2HG ARG 67 -0.601 -15.270 -0.346 464 2HG ARG 67 1HG ARG 67 -1.058 -15.693 1.306 465 1HD ARG 67 2HD ARG 67 0.449 -17.666 1.148 466 2HD ARG 67 1HD ARG 67 0.980 -17.080 -0.427 467 HE ARG 67 HE ARG 67 1.264 -15.103 1.607 468 1HH1 ARG 67 1HH1 ARG 67 2.757 -17.950 0.220 469 2HH1 ARG 67 2HH1 ARG 67 4.350 -17.534 0.775 470 1HH2 ARG 67 1HH2 ARG 67 3.350 -14.563 2.349 471 2HH2 ARG 67 2HH2 ARG 67 4.688 -15.611 1.965 472 H THR 68 H THR 68 -4.727 -17.954 1.026 473 HA THR 68 HA THR 68 -5.929 -19.050 -1.419 474 HB THR 68 HB THR 68 -4.168 -20.604 -0.535 475 HG1 THR 68 1HG THR 68 -6.850 -21.590 -0.485 476 1HG2 THR 68 1HG2 THR 68 -6.101 -20.941 1.760 477 2HG2 THR 68 2HG2 THR 68 -4.499 -20.210 1.857 478 3HG2 THR 68 3HG2 THR 68 -4.666 -21.921 1.464 479 H SER 69 H SER 69 -6.327 -18.091 1.906 480 HA SER 69 HA SER 69 -9.065 -19.121 1.908 481 1HB SER 69 2HB SER 69 -7.390 -18.041 4.183 482 2HB SER 69 1HB SER 69 -9.010 -18.720 4.334 483 HG SER 69 HG SER 69 -7.097 -20.136 4.734 484 H ILE 70 H ILE 70 -10.750 -17.835 1.723 485 HA ILE 70 HA ILE 70 -10.280 -15.037 1.184 486 HB ILE 70 HB ILE 70 -11.817 -16.366 -0.218 487 1HG1 ILE 70 2HG1 ILE 70 -13.649 -14.703 -0.294 488 2HG1 ILE 70 1HG1 ILE 70 -13.121 -14.071 1.262 489 1HG2 ILE 70 1HG2 ILE 70 -12.771 -17.807 1.480 490 2HG2 ILE 70 2HG2 ILE 70 -14.047 -16.947 0.618 491 3HG2 ILE 70 3HG2 ILE 70 -13.568 -16.426 2.233 492 1HD1 ILE 70 1HD1 ILE 70 -10.954 -13.489 0.247 493 2HD1 ILE 70 2HD1 ILE 70 -12.317 -12.662 -0.508 494 3HD1 ILE 70 3HD1 ILE 70 -11.565 -14.039 -1.311 495 H VAL 71 H VAL 71 -11.652 -16.978 3.746 496 HA VAL 71 HA VAL 71 -13.050 -14.942 5.112 497 HB VAL 71 HB VAL 71 -11.777 -17.426 6.275 498 1HG1 VAL 71 1HG1 VAL 71 -13.997 -15.667 7.305 499 2HG1 VAL 71 2HG1 VAL 71 -12.389 -15.859 8.005 500 3HG1 VAL 71 3HG1 VAL 71 -13.520 -17.213 8.008 501 1HG2 VAL 71 1HG2 VAL 71 -14.527 -17.005 5.116 502 2HG2 VAL 71 2HG2 VAL 71 -13.993 -18.452 5.972 503 3HG2 VAL 71 3HG2 VAL 71 -13.240 -18.006 4.441 504 H ASP 72 H ASP 72 -9.730 -16.042 5.189 505 HA ASP 72 HA ASP 72 -8.891 -14.743 7.525 506 1HB ASP 72 2HB ASP 72 -7.372 -15.656 5.086 507 2HB ASP 72 1HB ASP 72 -6.586 -15.004 6.520 508 H LEU 73 H LEU 73 -8.576 -13.716 4.114 509 HA LEU 73 HA LEU 73 -7.345 -11.253 4.834 510 1HB LEU 73 2HB LEU 73 -7.667 -10.596 2.493 511 2HB LEU 73 1HB LEU 73 -6.920 -12.171 2.659 512 HG LEU 73 HG LEU 73 -9.403 -13.018 2.338 513 1HD1 LEU 73 1HD1 LEU 73 -10.417 -10.804 2.311 514 2HD1 LEU 73 2HD1 LEU 73 -10.639 -11.621 0.765 515 3HD1 LEU 73 3HD1 LEU 73 -9.422 -10.355 0.926 516 1HD2 LEU 73 1HD2 LEU 73 -7.531 -13.586 0.905 517 2HD2 LEU 73 2HD2 LEU 73 -7.643 -12.020 0.102 518 3HD2 LEU 73 3HD2 LEU 73 -8.948 -13.194 -0.067 519 H MET 74 H MET 74 -10.636 -12.264 4.463 520 HA MET 74 HA MET 74 -11.894 -9.788 4.153 521 1HB MET 74 2HB MET 74 -13.121 -11.834 3.855 522 2HB MET 74 1HB MET 74 -12.800 -12.328 5.511 523 1HG MET 74 2HG MET 74 -14.218 -10.571 6.355 524 2HG MET 74 1HG MET 74 -14.465 -9.946 4.727 525 1HE MET 74 1HE MET 74 -14.318 -13.771 5.657 526 2HE MET 74 2HE MET 74 -16.002 -14.090 6.078 527 3HE MET 74 3HE MET 74 -15.019 -13.038 7.100 528 H LYS 75 H LYS 75 -11.201 -11.596 7.143 529 HA LYS 75 HA LYS 75 -12.058 -9.439 8.813 530 1HB LYS 75 2HB LYS 75 -10.926 -10.830 10.636 531 2HB LYS 75 1HB LYS 75 -12.299 -11.547 9.804 532 1HG LYS 75 2HG LYS 75 -10.839 -12.898 8.456 533 2HG LYS 75 1HG LYS 75 -9.419 -12.103 9.138 534 1HD LYS 75 2HD LYS 75 -9.868 -13.026 11.304 535 2HD LYS 75 1HD LYS 75 -11.419 -13.670 10.760 536 1HE LYS 75 2HE LYS 75 -10.391 -15.285 9.401 537 2HE LYS 75 1HE LYS 75 -8.830 -14.474 9.479 538 1HZ LYS 75 1HZ LYS 75 -8.739 -16.369 10.879 539 2HZ LYS 75 2HZ LYS 75 -10.186 -15.959 11.660 540 3HZ LYS 75 3HZ LYS 75 -8.803 -15.006 11.893 541 H ALA 76 H ALA 76 -9.025 -10.459 7.432 542 HA ALA 76 HA ALA 76 -7.117 -9.331 9.038 543 1HB ALA 76 1HB ALA 76 -6.594 -10.633 7.040 544 2HB ALA 76 2HB ALA 76 -5.723 -9.100 7.042 545 3HB ALA 76 3HB ALA 76 -7.145 -9.305 6.020 546 H LEU 77 H LEU 77 -8.863 -7.657 6.405 547 HA LEU 77 HA LEU 77 -7.782 -5.111 7.018 548 1HB LEU 77 2HB LEU 77 -10.247 -5.949 5.511 549 2HB LEU 77 1HB LEU 77 -9.851 -4.263 5.769 550 HG LEU 77 HG LEU 77 -9.090 -4.800 3.597 551 1HD1 LEU 77 1HD1 LEU 77 -6.669 -4.490 3.739 552 2HD1 LEU 77 2HD1 LEU 77 -6.716 -4.899 5.454 553 3HD1 LEU 77 3HD1 LEU 77 -7.527 -3.444 4.873 554 1HD2 LEU 77 1HD2 LEU 77 -9.129 -7.221 3.756 555 2HD2 LEU 77 2HD2 LEU 77 -7.699 -7.193 4.788 556 3HD2 LEU 77 3HD2 LEU 77 -7.585 -6.665 3.110 557 H ASP 78 H ASP 78 -11.233 -5.966 7.358 558 HA ASP 78 HA ASP 78 -11.413 -5.580 10.114 559 1HB ASP 78 2HB ASP 78 -10.780 -3.224 9.568 560 2HB ASP 78 1HB ASP 78 -12.251 -3.089 8.608 561 H ILE 79 H ILE 79 -12.605 -7.467 9.277 562 HA ILE 79 HA ILE 79 -15.430 -6.730 9.023 563 HB ILE 79 HB ILE 79 -14.089 -8.898 7.379 564 1HG1 ILE 79 2HG1 ILE 79 -13.772 -6.556 6.537 565 2HG1 ILE 79 1HG1 ILE 79 -14.658 -7.598 5.432 566 1HG2 ILE 79 1HG2 ILE 79 -16.289 -9.286 6.401 567 2HG2 ILE 79 2HG2 ILE 79 -16.994 -8.085 7.481 568 3HG2 ILE 79 3HG2 ILE 79 -16.312 -9.570 8.138 569 1HD1 ILE 79 1HD1 ILE 79 -15.639 -5.379 5.536 570 2HD1 ILE 79 2HD1 ILE 79 -15.865 -5.554 7.279 571 3HD1 ILE 79 3HD1 ILE 79 -16.756 -6.593 6.165 572 H ASP 80 H ASP 80 -16.841 -8.216 10.002 573 HA ASP 80 HA ASP 80 -15.993 -9.240 12.428 574 1HB ASP 80 2HB ASP 80 -18.435 -10.034 10.835 575 2HB ASP 80 1HB ASP 80 -18.191 -10.353 12.549 576 H SER 81 H SER 81 -16.136 -10.817 9.340 577 HA SER 81 HA SER 81 -15.700 -12.875 8.546 578 1HB SER 81 2HB SER 81 -13.825 -14.086 9.433 579 2HB SER 81 1HB SER 81 -13.463 -12.366 9.538 580 HG SER 81 HG SER 81 -14.342 -12.629 11.799 581 H SER 82 H SER 82 -17.782 -12.435 10.731 582 HA SER 82 HA SER 82 -18.043 -15.109 11.825 583 1HB SER 82 2HB SER 82 -18.456 -13.073 13.220 584 2HB SER 82 1HB SER 82 -19.822 -12.682 12.180 585 HG SER 82 HG SER 82 -19.590 -14.577 14.180 586 H LEU 83 H LEU 83 -20.878 -15.156 11.897 587 HA LEU 83 HA LEU 83 -21.411 -16.634 9.599 588 1HB LEU 83 2HB LEU 83 -22.570 -16.773 11.818 589 2HB LEU 83 1HB LEU 83 -23.432 -15.307 11.407 590 HG LEU 83 HG LEU 83 -24.683 -17.494 11.114 591 1HD1 LEU 83 1HD1 LEU 83 -24.429 -15.672 8.733 592 2HD1 LEU 83 2HD1 LEU 83 -25.485 -15.432 10.127 593 3HD1 LEU 83 3HD1 LEU 83 -25.758 -16.790 9.035 594 1HD2 LEU 83 1HD2 LEU 83 -24.283 -18.730 9.051 595 2HD2 LEU 83 2HD2 LEU 83 -22.875 -18.784 10.111 596 3HD2 LEU 83 3HD2 LEU 83 -22.883 -17.716 8.707 597 H SER 84 H SER 84 -22.654 -13.381 10.443 598 HA SER 84 HA SER 84 -24.054 -13.010 8.026 599 1HB SER 84 2HB SER 84 -22.927 -10.881 9.852 600 2HB SER 84 1HB SER 84 -24.253 -10.688 8.706 601 HG SER 84 HG SER 84 -24.425 -11.397 11.214 602 H ALA 85 H ALA 85 -20.707 -12.592 8.811 603 HA ALA 85 HA ALA 85 -20.076 -10.774 6.722 604 1HB ALA 85 1HB ALA 85 -18.640 -11.038 8.671 605 2HB ALA 85 2HB ALA 85 -17.752 -11.354 7.182 606 3HB ALA 85 3HB ALA 85 -18.281 -12.696 8.193 607 H ARG 86 H ARG 86 -19.286 -14.250 7.036 608 HA ARG 86 HA ARG 86 -18.463 -14.502 4.354 609 1HB ARG 86 2HB ARG 86 -18.672 -16.967 4.750 610 2HB ARG 86 1HB ARG 86 -17.671 -16.114 5.912 611 1HG ARG 86 2HG ARG 86 -19.398 -16.210 7.566 612 2HG ARG 86 1HG ARG 86 -20.542 -16.870 6.393 613 1HD ARG 86 2HD ARG 86 -19.380 -18.913 6.258 614 2HD ARG 86 1HD ARG 86 -17.965 -18.254 7.075 615 HE ARG 86 HE ARG 86 -19.445 -18.120 9.092 616 1HH1 ARG 86 1HH1 ARG 86 -20.252 -20.343 6.513 617 2HH1 ARG 86 2HH1 ARG 86 -20.859 -21.574 7.586 618 1HH2 ARG 86 1HH2 ARG 86 -20.237 -19.746 10.513 619 2HH2 ARG 86 2HH2 ARG 86 -20.866 -21.222 9.845 620 H LYS 87 H LYS 87 -21.590 -14.806 5.880 621 HA LYS 87 HA LYS 87 -22.847 -16.140 3.706 622 1HB LYS 87 2HB LYS 87 -23.741 -16.233 5.991 623 2HB LYS 87 1HB LYS 87 -24.065 -14.506 5.939 624 1HG LYS 87 2HG LYS 87 -25.688 -14.833 4.177 625 2HG LYS 87 1HG LYS 87 -25.324 -16.558 4.136 626 1HD LYS 87 2HD LYS 87 -26.330 -15.141 6.592 627 2HD LYS 87 1HD LYS 87 -27.401 -15.898 5.413 628 1HE LYS 87 2HE LYS 87 -25.180 -17.347 6.839 629 2HE LYS 87 1HE LYS 87 -26.844 -17.309 7.414 630 1HZ LYS 87 1HZ LYS 87 -26.603 -19.287 6.209 631 2HZ LYS 87 2HZ LYS 87 -25.808 -18.526 4.920 632 3HZ LYS 87 3HZ LYS 87 -27.461 -18.246 5.181 633 H GLU 88 H GLU 88 -22.489 -12.726 4.616 634 HA GLU 88 HA GLU 88 -24.308 -11.829 2.602 635 1HB GLU 88 2HB GLU 88 -24.083 -9.757 3.510 636 2HB GLU 88 1HB GLU 88 -23.434 -10.676 4.853 637 1HG GLU 88 2HG GLU 88 -21.863 -9.064 4.700 638 2HG GLU 88 1HG GLU 88 -21.163 -10.253 3.603 639 H LEU 89 H LEU 89 -20.790 -12.065 2.865 640 HA LEU 89 HA LEU 89 -20.140 -10.793 0.454 641 1HB LEU 89 2HB LEU 89 -18.485 -11.313 2.163 642 2HB LEU 89 1HB LEU 89 -18.736 -13.029 1.915 643 HG LEU 89 HG LEU 89 -17.770 -12.875 -0.327 644 1HD1 LEU 89 1HD1 LEU 89 -18.504 -10.592 -0.836 645 2HD1 LEU 89 2HD1 LEU 89 -16.779 -10.817 -1.127 646 3HD1 LEU 89 3HD1 LEU 89 -17.325 -9.967 0.316 647 1HD2 LEU 89 1HD2 LEU 89 -15.468 -12.332 0.331 648 2HD2 LEU 89 2HD2 LEU 89 -16.284 -13.314 1.549 649 3HD2 LEU 89 3HD2 LEU 89 -16.075 -11.582 1.808 650 H ALA 90 H ALA 90 -20.943 -14.134 1.205 651 HA ALA 90 HA ALA 90 -20.464 -15.150 -1.392 652 1HB ALA 90 1HB ALA 90 -21.639 -17.144 -0.626 653 2HB ALA 90 2HB ALA 90 -22.205 -16.270 0.799 654 3HB ALA 90 3HB ALA 90 -20.482 -16.581 0.582 655 H LYS 91 H LYS 91 -23.414 -13.988 0.246 656 HA LYS 91 HA LYS 91 -25.162 -14.833 -1.830 657 1HB LYS 91 2HB LYS 91 -26.900 -13.652 -0.689 658 2HB LYS 91 1HB LYS 91 -25.874 -14.401 0.525 659 1HG LYS 91 2HG LYS 91 -24.764 -12.256 0.907 660 2HG LYS 91 1HG LYS 91 -25.810 -11.509 -0.301 661 1HD LYS 91 2HD LYS 91 -27.771 -12.131 1.059 662 2HD LYS 91 1HD LYS 91 -26.683 -12.789 2.286 663 1HE LYS 91 2HE LYS 91 -25.665 -10.583 2.563 664 2HE LYS 91 1HE LYS 91 -26.740 -9.927 1.332 665 1HZ LYS 91 1HZ LYS 91 -27.510 -9.456 3.579 666 2HZ LYS 91 2HZ LYS 91 -27.624 -11.121 3.903 667 3HZ LYS 91 3HZ LYS 91 -28.624 -10.414 2.733 668 H GLU 92 H GLU 92 -23.169 -12.043 -1.469 669 HA GLU 92 HA GLU 92 -24.549 -10.413 -3.365 670 1HB GLU 92 2HB GLU 92 -21.675 -10.360 -2.426 671 2HB GLU 92 1HB GLU 92 -22.416 -9.126 -3.436 672 1HG GLU 92 2HG GLU 92 -23.437 -9.857 -0.707 673 2HG GLU 92 1HG GLU 92 -22.240 -8.597 -0.990 674 H LEU 93 H LEU 93 -22.006 -12.818 -3.516 675 HA LEU 93 HA LEU 93 -21.526 -12.309 -6.338 676 1HB LEU 93 2HB LEU 93 -20.287 -14.301 -4.444 677 2HB LEU 93 1HB LEU 93 -19.770 -14.022 -6.096 678 HG LEU 93 HG LEU 93 -19.702 -11.926 -3.922 679 1HD1 LEU 93 1HD1 LEU 93 -17.289 -12.269 -3.923 680 2HD1 LEU 93 2HD1 LEU 93 -17.477 -13.601 -5.063 681 3HD1 LEU 93 3HD1 LEU 93 -18.145 -13.731 -3.438 682 1HD2 LEU 93 1HD2 LEU 93 -19.912 -11.027 -6.184 683 2HD2 LEU 93 2HD2 LEU 93 -18.498 -11.957 -6.678 684 3HD2 LEU 93 3HD2 LEU 93 -18.336 -10.675 -5.479 685 H GLY 94 H GLY 94 -23.046 -14.781 -4.318 686 1HA GLY 94 2HA GLY 94 -24.790 -15.724 -6.233 687 2HA GLY 94 1HA GLY 94 -23.336 -16.684 -6.448 688 H TYR 95 H TYR 95 -22.556 -16.821 -3.756 689 HA TYR 95 HA TYR 95 -22.836 -17.951 -1.817 690 1HB TYR 95 2HB TYR 95 -24.984 -16.575 -1.685 691 2HB TYR 95 1HB TYR 95 -25.814 -18.004 -2.287 692 HD1 TYR 95 1HD TYR 95 -25.973 -20.028 -0.875 693 HD2 TYR 95 2HD TYR 95 -24.157 -16.459 0.561 694 HE1 TYR 95 1HE TYR 95 -26.128 -20.879 1.431 695 HE2 TYR 95 2HE TYR 95 -24.302 -17.301 2.862 696 HH TYR 95 HH TYR 95 -25.025 -20.538 3.609 697 H SER 96 H SER 96 -21.935 -19.873 -2.119 698 HA SER 96 HA SER 96 -23.701 -22.074 -2.841 699 1HB SER 96 2HB SER 96 -22.391 -21.387 -4.894 700 2HB SER 96 1HB SER 96 -20.921 -21.823 -4.024 701 HG SER 96 HG SER 96 -22.910 -23.441 -5.101 702 H GLY 97 H GLY 97 -23.730 -23.016 -0.894 703 1HA GLY 97 2HA GLY 97 -21.261 -24.154 0.114 704 2HA GLY 97 1HA GLY 97 -22.022 -22.974 1.171 705 H ASP 98 H ASP 98 -22.602 -25.987 -0.569 706 HA ASP 98 HA ASP 98 -24.164 -26.912 1.725 707 1HB ASP 98 2HB ASP 98 -25.696 -25.994 -0.109 708 2HB ASP 98 1HB ASP 98 -25.174 -27.367 -1.079 709 H MET 99 H MET 99 -23.717 -28.276 -1.521 710 HA MET 99 HA MET 99 -22.820 -30.778 -0.473 711 1HB MET 99 2HB MET 99 -22.590 -31.459 -2.790 712 2HB MET 99 1HB MET 99 -24.099 -30.577 -2.589 713 1HG MET 99 2HG MET 99 -23.091 -28.587 -3.538 714 2HG MET 99 1HG MET 99 -21.545 -29.419 -3.692 715 1HE MET 99 1HE MET 99 -25.170 -30.832 -4.379 716 2HE MET 99 2HE MET 99 -25.326 -30.504 -6.105 717 3HE MET 99 3HE MET 99 -25.243 -29.168 -4.959 718 H ASN 100 H ASN 100 -21.310 -27.879 -1.515 719 HA ASN 100 HA ASN 100 -18.715 -29.077 -1.989 720 1HB ASN 100 2HB ASN 100 -18.058 -26.719 -2.498 721 2HB ASN 100 1HB ASN 100 -19.417 -27.292 -3.461 722 1HD2 ASN 100 1HD2 ASN 100 -18.343 -25.032 -1.109 723 2HD2 ASN 100 2HD2 ASN 100 -19.816 -24.134 -0.991 724 H ASP 101 H ASP 101 -20.434 -27.982 0.644 725 HA ASP 101 HA ASP 101 -19.964 -27.411 2.789 726 1HB ASP 101 2HB ASP 101 -18.792 -29.703 2.426 727 2HB ASP 101 1HB ASP 101 -17.298 -28.770 2.461 728 H SER 102 H SER 102 -17.228 -27.045 3.870 729 HA SER 102 HA SER 102 -17.053 -24.224 3.309 730 1HB SER 102 2HB SER 102 -15.102 -25.755 5.006 731 2HB SER 102 1HB SER 102 -15.713 -24.113 5.222 732 HG SER 102 HG SER 102 -17.159 -26.542 5.594 733 H ALA 103 H ALA 103 -15.365 -27.104 2.393 734 HA ALA 103 HA ALA 103 -12.803 -26.093 1.927 735 1HB ALA 103 1HB ALA 103 -13.332 -28.485 2.075 736 2HB ALA 103 2HB ALA 103 -12.421 -28.095 0.615 737 3HB ALA 103 3HB ALA 103 -14.158 -28.387 0.521 738 H SER 104 H SER 104 -15.320 -26.818 -0.512 739 HA SER 104 HA SER 104 -13.859 -25.479 -2.561 740 1HB SER 104 2HB SER 104 -16.782 -26.207 -2.671 741 2HB SER 104 1HB SER 104 -15.625 -26.116 -4.000 742 HG SER 104 HG SER 104 -14.605 -27.948 -3.229 743 H MET 105 H MET 105 -16.213 -24.537 -0.209 744 HA MET 105 HA MET 105 -17.241 -22.255 -1.551 745 1HB MET 105 2HB MET 105 -18.429 -23.326 0.315 746 2HB MET 105 1HB MET 105 -17.134 -22.859 1.408 747 1HG MET 105 2HG MET 105 -17.644 -20.521 1.065 748 2HG MET 105 1HG MET 105 -18.883 -20.943 -0.117 749 1HE MET 105 1HE MET 105 -19.186 -21.965 4.383 750 2HE MET 105 2HE MET 105 -17.824 -21.105 3.665 751 3HE MET 105 3HE MET 105 -18.094 -22.805 3.283 752 H ASN 106 H ASN 106 -14.568 -22.796 0.676 753 HA ASN 106 HA ASN 106 -13.848 -20.075 1.006 754 1HB ASN 106 2HB ASN 106 -13.064 -21.829 2.528 755 2HB ASN 106 1HB ASN 106 -12.156 -22.577 1.219 756 1HD2 ASN 106 1HD2 ASN 106 -10.183 -22.396 2.146 757 2HD2 ASN 106 2HD2 ASN 106 -9.391 -20.885 2.444 758 H ILE 107 H ILE 107 -12.859 -22.585 -1.277 759 HA ILE 107 HA ILE 107 -10.831 -21.049 -2.542 760 HB ILE 107 HB ILE 107 -12.361 -23.437 -3.584 761 1HG1 ILE 107 2HG1 ILE 107 -9.643 -23.238 -2.262 762 2HG1 ILE 107 1HG1 ILE 107 -11.100 -23.856 -1.502 763 1HG2 ILE 107 1HG2 ILE 107 -10.524 -23.698 -5.180 764 2HG2 ILE 107 2HG2 ILE 107 -9.791 -22.211 -4.575 765 3HG2 ILE 107 3HG2 ILE 107 -11.350 -22.153 -5.400 766 1HD1 ILE 107 1HD1 ILE 107 -9.706 -25.056 -3.875 767 2HD1 ILE 107 2HD1 ILE 107 -11.175 -25.674 -3.121 768 3HD1 ILE 107 3HD1 ILE 107 -9.659 -25.662 -2.220 769 H TRP 108 H TRP 108 -14.179 -21.829 -3.504 770 HA TRP 108 HA TRP 108 -14.203 -20.467 -5.941 771 1HB TRP 108 2HB TRP 108 -15.979 -21.993 -5.431 772 2HB TRP 108 1HB TRP 108 -16.428 -21.084 -3.993 773 HD1 TRP 108 HD TRP 108 -16.619 -20.847 -7.840 774 HE1 TRP 108 1HE TRP 108 -18.536 -19.231 -8.456 775 HE3 TRP 108 3HE TRP 108 -17.850 -19.229 -3.142 776 HZ2 TRP 108 2HZ TRP 108 -20.327 -17.514 -7.116 777 HZ3 TRP 108 3HZ TRP 108 -19.679 -17.598 -2.898 778 HH2 TRP 108 HH TRP 108 -20.888 -16.758 -4.845 779 H LEU 109 H LEU 109 -15.153 -19.328 -2.729 780 HA LEU 109 HA LEU 109 -16.025 -16.776 -3.553 781 1HB LEU 109 2HB LEU 109 -16.567 -17.979 -1.396 782 2HB LEU 109 1HB LEU 109 -14.969 -17.535 -0.831 783 HG LEU 109 HG LEU 109 -15.571 -15.143 -1.070 784 1HD1 LEU 109 1HD1 LEU 109 -17.262 -15.401 -2.819 785 2HD1 LEU 109 2HD1 LEU 109 -17.888 -14.515 -1.428 786 3HD1 LEU 109 3HD1 LEU 109 -18.326 -16.206 -1.667 787 1HD2 LEU 109 1HD2 LEU 109 -15.816 -16.228 1.089 788 2HD2 LEU 109 2HD2 LEU 109 -17.436 -16.771 0.649 789 3HD2 LEU 109 3HD2 LEU 109 -17.105 -15.050 0.841 790 H HIS 110 H HIS 110 -12.916 -18.061 -2.569 791 HA HIS 110 HA HIS 110 -11.574 -15.610 -2.189 792 1HB HIS 110 2HB HIS 110 -10.745 -17.839 -1.420 793 2HB HIS 110 1HB HIS 110 -10.386 -18.244 -3.094 794 HD1 HIS 110 1HD HIS 110 -8.133 -17.577 -3.937 795 HD2 HIS 110 2HD HIS 110 -9.141 -15.612 -0.420 796 HE1 HIS 110 1HE HIS 110 -6.057 -16.349 -3.236 797 HE2 HIS 110 2HE HIS 110 -6.651 -15.267 -1.039 798 H LYS 111 H LYS 111 -12.083 -17.628 -5.034 799 HA LYS 111 HA LYS 111 -10.362 -16.197 -6.785 800 1HB LYS 111 2HB LYS 111 -12.845 -17.743 -7.564 801 2HB LYS 111 1HB LYS 111 -11.436 -17.412 -8.561 802 1HG LYS 111 2HG LYS 111 -10.636 -18.804 -6.191 803 2HG LYS 111 1HG LYS 111 -11.950 -19.670 -6.983 804 1HD LYS 111 2HD LYS 111 -9.379 -18.780 -8.287 805 2HD LYS 111 1HD LYS 111 -9.764 -20.424 -7.779 806 1HE LYS 111 2HE LYS 111 -11.755 -20.299 -9.330 807 2HE LYS 111 1HE LYS 111 -11.064 -18.805 -9.959 808 1HZ LYS 111 1HZ LYS 111 -9.968 -20.133 -11.359 809 2HZ LYS 111 2HZ LYS 111 -10.298 -21.526 -10.455 810 3HZ LYS 111 3HZ LYS 111 -8.983 -20.547 -10.040 811 H GLN 112 H GLN 112 -13.873 -16.164 -6.283 812 HA GLN 112 HA GLN 112 -14.487 -14.302 -8.282 813 1HB GLN 112 2HB GLN 112 -16.042 -15.922 -7.094 814 2HB GLN 112 1HB GLN 112 -16.101 -14.759 -5.777 815 1HG GLN 112 2HG GLN 112 -18.023 -14.470 -7.183 816 2HG GLN 112 1HG GLN 112 -16.966 -13.069 -7.346 817 1HE2 GLN 112 1HE2 GLN 112 -16.346 -16.172 -8.844 818 2HE2 GLN 112 2HE2 GLN 112 -16.579 -15.643 -10.472 819 H VAL 113 H VAL 113 -14.092 -13.834 -4.775 820 HA VAL 113 HA VAL 113 -14.691 -11.112 -4.691 821 HB VAL 113 HB VAL 113 -12.883 -12.750 -2.911 822 1HG1 VAL 113 1HG1 VAL 113 -13.060 -10.928 -1.272 823 2HG1 VAL 113 2HG1 VAL 113 -13.899 -9.941 -2.469 824 3HG1 VAL 113 3HG1 VAL 113 -12.221 -10.411 -2.736 825 1HG2 VAL 113 1HG2 VAL 113 -15.701 -11.740 -2.546 826 2HG2 VAL 113 2HG2 VAL 113 -14.774 -12.673 -1.370 827 3HG2 VAL 113 3HG2 VAL 113 -15.232 -13.403 -2.907 828 H MET 114 H MET 114 -11.597 -12.739 -5.332 829 HA MET 114 HA MET 114 -10.109 -10.307 -5.166 830 1HB MET 114 2HB MET 114 -9.384 -13.014 -6.277 831 2HB MET 114 1HB MET 114 -8.266 -11.657 -6.227 832 1HG MET 114 2HG MET 114 -8.656 -11.558 -3.748 833 2HG MET 114 1HG MET 114 -9.533 -13.078 -3.904 834 1HE MET 114 1HE MET 114 -6.046 -11.289 -4.160 835 2HE MET 114 2HE MET 114 -6.329 -11.831 -5.814 836 3HE MET 114 3HE MET 114 -5.047 -12.565 -4.852 837 H SER 115 H SER 115 -11.982 -11.785 -7.618 838 HA SER 115 HA SER 115 -10.780 -10.523 -9.859 839 1HB SER 115 2HB SER 115 -12.299 -12.472 -10.050 840 2HB SER 115 1HB SER 115 -13.641 -11.458 -9.522 841 HG SER 115 HG SER 115 -12.970 -10.079 -11.409 842 H LYS 116 H LYS 116 -12.861 -9.416 -7.344 843 HA LYS 116 HA LYS 116 -13.304 -6.889 -8.787 844 1HB LYS 116 2HB LYS 116 -14.626 -8.039 -6.328 845 2HB LYS 116 1HB LYS 116 -14.847 -6.375 -6.838 846 1HG LYS 116 2HG LYS 116 -16.718 -7.488 -7.644 847 2HG LYS 116 1HG LYS 116 -15.666 -7.342 -9.050 848 1HD LYS 116 2HD LYS 116 -14.957 -9.634 -8.817 849 2HD LYS 116 1HD LYS 116 -15.855 -9.797 -7.305 850 1HE LYS 116 2HE LYS 116 -17.081 -10.822 -9.130 851 2HE LYS 116 1HE LYS 116 -17.952 -9.417 -8.521 852 1HZ LYS 116 1HZ LYS 116 -17.067 -8.124 -10.384 853 2HZ LYS 116 2HZ LYS 116 -17.956 -9.458 -10.936 854 3HZ LYS 116 3HZ LYS 116 -16.265 -9.497 -10.972 855 H LEU 117 H LEU 117 -11.127 -8.287 -6.823 856 HA LEU 117 HA LEU 117 -10.791 -6.032 -4.985 857 1HB LEU 117 2HB LEU 117 -10.644 -8.774 -4.613 858 2HB LEU 117 1HB LEU 117 -8.963 -8.285 -4.671 859 HG LEU 117 HG LEU 117 -11.048 -7.214 -2.769 860 1HD1 LEU 117 1HD1 LEU 117 -8.694 -9.050 -2.338 861 2HD1 LEU 117 2HD1 LEU 117 -10.400 -9.494 -2.261 862 3HD1 LEU 117 3HD1 LEU 117 -9.723 -8.384 -1.068 863 1HD2 LEU 117 1HD2 LEU 117 -9.203 -6.056 -1.689 864 2HD2 LEU 117 2HD2 LEU 117 -9.383 -5.520 -3.359 865 3HD2 LEU 117 3HD2 LEU 117 -8.091 -6.640 -2.925 866 H VAL 118 H VAL 118 -8.442 -8.238 -6.508 867 HA VAL 118 HA VAL 118 -6.479 -6.147 -6.510 868 HB VAL 118 HB VAL 118 -4.971 -7.818 -7.523 869 1HG1 VAL 118 1HG1 VAL 118 -5.174 -7.684 -5.105 870 2HG1 VAL 118 2HG1 VAL 118 -4.935 -9.356 -5.610 871 3HG1 VAL 118 3HG1 VAL 118 -6.541 -8.799 -5.142 872 1HG2 VAL 118 1HG2 VAL 118 -5.746 -10.142 -7.774 873 2HG2 VAL 118 2HG2 VAL 118 -6.563 -9.043 -8.886 874 3HG2 VAL 118 3HG2 VAL 118 -7.394 -9.613 -7.439 875 H ALA 119 H ALA 119 -8.892 -7.036 -8.667 876 HA ALA 119 HA ALA 119 -7.585 -6.501 -11.132 877 1HB ALA 119 1HB ALA 119 -10.521 -6.369 -10.459 878 2HB ALA 119 2HB ALA 119 -9.647 -7.795 -11.020 879 3HB ALA 119 3HB ALA 119 -9.829 -6.399 -12.081 880 H ASN 120 H ASN 120 -8.257 -4.479 -8.611 881 HA ASN 120 HA ASN 120 -8.846 -2.125 -10.216 882 1HB ASN 120 2HB ASN 120 -8.336 -2.454 -7.249 883 2HB ASN 120 1HB ASN 120 -8.670 -0.910 -8.023 884 1HD2 ASN 120 1HD2 ASN 120 -9.973 -3.915 -6.949 885 2HD2 ASN 120 2HD2 ASN 120 -11.639 -3.535 -7.218 886 H GLY 121 H GLY 121 -6.208 -3.799 -10.214 887 1HA GLY 121 2HA GLY 121 -4.187 -2.897 -11.136 888 2HA GLY 121 1HA GLY 121 -4.465 -1.425 -10.218 889 H GLY 122 H GLY 122 -5.043 -4.331 -8.551 890 1HA GLY 122 2HA GLY 122 -2.894 -3.752 -6.721 891 2HA GLY 122 1HA GLY 122 -4.116 -5.004 -6.545 892 H LYS 123 H LYS 123 -1.066 -4.802 -6.430 893 HA LYS 123 HA LYS 123 -0.361 -6.931 -8.313 894 1HB LYS 123 2HB LYS 123 1.125 -4.934 -8.080 895 2HB LYS 123 1HB LYS 123 1.399 -5.379 -6.402 896 1HG LYS 123 2HG LYS 123 2.161 -7.655 -7.447 897 2HG LYS 123 1HG LYS 123 2.393 -6.669 -8.892 898 1HD LYS 123 2HD LYS 123 3.626 -6.203 -6.178 899 2HD LYS 123 1HD LYS 123 4.456 -6.787 -7.620 900 1HE LYS 123 2HE LYS 123 4.129 -4.690 -8.734 901 2HE LYS 123 1HE LYS 123 3.092 -4.103 -7.432 902 1HZ LYS 123 1HZ LYS 123 5.991 -4.729 -7.214 903 2HZ LYS 123 2HZ LYS 123 5.001 -4.224 -5.928 904 3HZ LYS 123 3HZ LYS 123 5.301 -3.177 -7.234 905 H LEU 124 H LEU 124 -0.048 -8.978 -7.656 906 HA LEU 124 HA LEU 124 0.371 -9.495 -4.821 907 1HB LEU 124 2HB LEU 124 -1.089 -11.533 -4.968 908 2HB LEU 124 1HB LEU 124 -1.926 -10.002 -4.946 909 HG LEU 124 HG LEU 124 -3.017 -11.605 -6.412 910 1HD1 LEU 124 1HD1 LEU 124 -1.769 -9.384 -8.007 911 2HD1 LEU 124 2HD1 LEU 124 -3.205 -9.257 -6.993 912 3HD1 LEU 124 3HD1 LEU 124 -3.226 -10.283 -8.427 913 1HD2 LEU 124 1HD2 LEU 124 -1.129 -12.966 -7.062 914 2HD2 LEU 124 2HD2 LEU 124 -0.474 -11.637 -8.018 915 3HD2 LEU 124 3HD2 LEU 124 -2.001 -12.388 -8.482 916 HA PRO 125 HA PRO 125 3.528 -12.285 -6.212 917 1HB PRO 125 2HB PRO 125 3.236 -14.301 -4.357 918 2HB PRO 125 1HB PRO 125 4.124 -12.804 -4.062 919 1HG PRO 125 2HG PRO 125 1.346 -13.553 -3.258 920 2HG PRO 125 1HG PRO 125 2.569 -12.641 -2.355 921 1HD PRO 125 2HD PRO 125 0.502 -11.435 -3.600 922 2HD PRO 125 1HD PRO 125 2.099 -10.671 -3.457 923 HA PRO 126 HA PRO 126 1.361 -15.074 -8.861 924 1HB PRO 126 2HB PRO 126 3.822 -16.691 -8.986 925 2HB PRO 126 1HB PRO 126 2.989 -15.809 -10.270 926 1HG PRO 126 2HG PRO 126 5.324 -14.945 -9.286 927 2HG PRO 126 1HG PRO 126 4.046 -13.812 -9.767 928 1HD PRO 126 2HD PRO 126 4.799 -14.756 -7.020 929 2HD PRO 126 1HD PRO 126 4.404 -13.115 -7.577 930 H GLU 127 H GLU 127 1.843 -15.760 -5.818 931 HA GLU 127 HA GLU 127 1.602 -18.642 -5.869 932 1HB GLU 127 2HB GLU 127 1.364 -16.684 -3.573 933 2HB GLU 127 1HB GLU 127 1.399 -18.435 -3.421 934 1HG GLU 127 2HG GLU 127 3.625 -16.725 -4.511 935 2HG GLU 127 1HG GLU 127 3.562 -17.439 -2.900 936 H ILE 128 H ILE 128 -0.413 -15.872 -5.956 937 HA ILE 128 HA ILE 128 -2.773 -17.447 -5.254 938 HB ILE 128 HB ILE 128 -2.606 -14.487 -5.867 939 1HG1 ILE 128 2HG1 ILE 128 -3.257 -14.376 -3.360 940 2HG1 ILE 128 1HG1 ILE 128 -2.673 -16.034 -3.278 941 1HG2 ILE 128 1HG2 ILE 128 -4.908 -14.412 -5.015 942 2HG2 ILE 128 2HG2 ILE 128 -4.892 -16.169 -4.842 943 3HG2 ILE 128 3HG2 ILE 128 -4.765 -15.439 -6.442 944 1HD1 ILE 128 1HD1 ILE 128 -1.061 -13.626 -4.090 945 2HD1 ILE 128 2HD1 ILE 128 -0.472 -15.287 -4.029 946 3HD1 ILE 128 3HD1 ILE 128 -0.977 -14.476 -2.547 947 H LYS 129 H LYS 129 -2.648 -18.774 -7.074 948 HA LYS 129 HA LYS 129 -4.231 -17.839 -9.250 949 1HB LYS 129 2HB LYS 129 -2.072 -17.028 -10.055 950 2HB LYS 129 1HB LYS 129 -1.354 -18.608 -9.800 951 1HG LYS 129 2HG LYS 129 -1.698 -18.545 -12.085 952 2HG LYS 129 1HG LYS 129 -3.095 -19.445 -11.501 953 1HD LYS 129 2HD LYS 129 -3.194 -16.474 -11.980 954 2HD LYS 129 1HD LYS 129 -3.495 -17.635 -13.270 955 1HE LYS 129 2HE LYS 129 -5.311 -18.616 -11.878 956 2HE LYS 129 1HE LYS 129 -5.043 -17.334 -10.702 957 1HZ LYS 129 1HZ LYS 129 -5.946 -16.999 -13.511 958 2HZ LYS 129 2HZ LYS 129 -5.541 -15.718 -12.474 959 3HZ LYS 129 3HZ LYS 129 -6.853 -16.724 -12.102 960 H HIS 130 H HIS 130 -5.613 -19.467 -8.705 961 HA HIS 130 HA HIS 130 -4.714 -22.158 -9.431 962 1HB HIS 130 2HB HIS 130 -6.209 -21.421 -6.907 963 2HB HIS 130 1HB HIS 130 -6.173 -23.058 -7.552 964 HD1 HIS 130 1HD HIS 130 -3.953 -24.373 -7.342 965 HD2 HIS 130 2HD HIS 130 -3.831 -20.555 -5.696 966 HE1 HIS 130 1HE HIS 130 -1.849 -24.295 -5.967 967 HE2 HIS 130 2HE HIS 130 -1.689 -21.912 -5.167 Start of MODEL 5 1 1H MET 1 1HT MET 1 -24.729 -7.093 1.183 2 2H MET 1 2HT MET 1 -25.018 -5.922 2.377 3 3H MET 1 3HT MET 1 -23.498 -6.677 2.281 4 HA MET 1 HA MET 1 -24.688 -4.921 0.222 5 1HB MET 1 2HB MET 1 -24.017 -3.688 2.249 6 2HB MET 1 1HB MET 1 -22.414 -4.403 2.154 7 1HG MET 1 2HG MET 1 -22.098 -3.305 -0.042 8 2HG MET 1 1HG MET 1 -23.660 -2.509 0.172 9 1HE MET 1 1HE MET 1 -22.362 -0.175 -0.260 10 2HE MET 1 2HE MET 1 -20.836 -1.055 -0.389 11 3HE MET 1 3HE MET 1 -20.966 0.337 0.687 12 H SER 2 H SER 2 -21.310 -5.334 1.086 13 HA SER 2 HA SER 2 -20.594 -7.247 -0.847 14 1HB SER 2 2HB SER 2 -20.333 -4.354 -1.697 15 2HB SER 2 1HB SER 2 -19.338 -5.632 -2.388 16 HG SER 2 HG SER 2 -22.075 -6.098 -2.344 17 H ILE 3 H ILE 3 -19.253 -8.019 0.743 18 HA ILE 3 HA ILE 3 -17.647 -6.378 2.373 19 HB ILE 3 HB ILE 3 -17.361 -9.322 1.810 20 1HG1 ILE 3 2HG1 ILE 3 -18.896 -7.736 3.863 21 2HG1 ILE 3 1HG1 ILE 3 -19.509 -8.928 2.728 22 1HG2 ILE 3 1HG2 ILE 3 -16.115 -9.416 3.920 23 2HG2 ILE 3 2HG2 ILE 3 -16.197 -7.657 4.040 24 3HG2 ILE 3 3HG2 ILE 3 -15.301 -8.410 2.721 25 1HD1 ILE 3 1HD1 ILE 3 -18.354 -10.693 3.936 26 2HD1 ILE 3 2HD1 ILE 3 -19.467 -9.808 4.982 27 3HD1 ILE 3 3HD1 ILE 3 -17.734 -9.501 5.077 28 H PHE 4 H PHE 4 -16.974 -7.979 -0.687 29 HA PHE 4 HA PHE 4 -14.192 -7.650 -0.693 30 1HB PHE 4 2HB PHE 4 -14.393 -7.740 -3.196 31 2HB PHE 4 1HB PHE 4 -15.154 -9.075 -2.345 32 HD1 PHE 4 1HD PHE 4 -15.777 -5.984 -4.244 33 HD2 PHE 4 2HD PHE 4 -17.493 -9.455 -2.481 34 HE1 PHE 4 1HE PHE 4 -17.873 -5.563 -5.461 35 HE2 PHE 4 2HE PHE 4 -19.592 -9.037 -3.694 36 HZ PHE 4 HZ PHE 4 -19.784 -7.089 -5.184 37 H GLY 5 H GLY 5 -16.781 -5.394 -1.236 38 1HA GLY 5 2HA GLY 5 -15.044 -3.356 -2.344 39 2HA GLY 5 1HA GLY 5 -16.746 -3.170 -1.925 40 H LYS 6 H LYS 6 -16.062 -4.411 0.755 41 HA LYS 6 HA LYS 6 -15.603 -1.923 2.120 42 1HB LYS 6 2HB LYS 6 -15.941 -4.735 3.197 43 2HB LYS 6 1HB LYS 6 -15.956 -3.263 4.160 44 1HG LYS 6 2HG LYS 6 -18.038 -2.622 3.396 45 2HG LYS 6 1HG LYS 6 -17.905 -3.576 1.917 46 1HD LYS 6 2HD LYS 6 -19.497 -4.642 3.358 47 2HD LYS 6 1HD LYS 6 -18.040 -5.633 3.304 48 1HE LYS 6 2HE LYS 6 -18.640 -5.603 5.561 49 2HE LYS 6 1HE LYS 6 -17.335 -4.428 5.433 50 1HZ LYS 6 1HZ LYS 6 -19.149 -3.606 6.792 51 2HZ LYS 6 2HZ LYS 6 -20.236 -3.794 5.505 52 3HZ LYS 6 3HZ LYS 6 -18.981 -2.655 5.396 53 H ILE 7 H ILE 7 -13.926 -5.007 1.680 54 HA ILE 7 HA ILE 7 -11.747 -4.349 3.375 55 HB ILE 7 HB ILE 7 -10.601 -6.294 2.380 56 1HG1 ILE 7 2HG1 ILE 7 -13.081 -6.575 0.664 57 2HG1 ILE 7 1HG1 ILE 7 -11.514 -6.028 0.074 58 1HG2 ILE 7 1HG2 ILE 7 -13.474 -6.780 3.147 59 2HG2 ILE 7 2HG2 ILE 7 -12.112 -6.603 4.252 60 3HG2 ILE 7 3HG2 ILE 7 -12.188 -7.987 3.162 61 1HD1 ILE 7 1HD1 ILE 7 -11.896 -8.367 -0.451 62 2HD1 ILE 7 2HD1 ILE 7 -12.107 -8.732 1.263 63 3HD1 ILE 7 3HD1 ILE 7 -10.542 -8.185 0.663 64 H MET 8 H MET 8 -12.339 -3.988 -0.091 65 HA MET 8 HA MET 8 -9.651 -3.378 -0.773 66 1HB MET 8 2HB MET 8 -10.448 -2.775 -2.929 67 2HB MET 8 1HB MET 8 -11.418 -4.140 -2.396 68 1HG MET 8 2HG MET 8 -13.254 -2.666 -1.849 69 2HG MET 8 1HG MET 8 -12.279 -1.257 -2.262 70 1HE MET 8 1HE MET 8 -14.099 -0.317 -3.911 71 2HE MET 8 2HE MET 8 -15.150 -1.658 -3.460 72 3HE MET 8 3HE MET 8 -14.880 -1.282 -5.163 73 H SER 9 H SER 9 -12.198 -1.558 0.639 74 HA SER 9 HA SER 9 -11.326 1.035 -0.141 75 1HB SER 9 2HB SER 9 -13.081 0.124 2.153 76 2HB SER 9 1HB SER 9 -12.843 1.810 1.688 77 HG SER 9 HG SER 9 -14.221 -0.238 0.355 78 H ALA 10 H ALA 10 -10.218 -1.227 2.163 79 HA ALA 10 HA ALA 10 -8.717 0.805 3.638 80 1HB ALA 10 1HB ALA 10 -8.854 -2.177 4.089 81 2HB ALA 10 2HB ALA 10 -9.833 -0.969 4.921 82 3HB ALA 10 3HB ALA 10 -8.084 -0.990 5.144 83 H ILE 11 H ILE 11 -8.249 -1.971 1.533 84 HA ILE 11 HA ILE 11 -5.441 -2.041 1.571 85 HB ILE 11 HB ILE 11 -7.347 -2.927 -0.607 86 1HG1 ILE 11 2HG1 ILE 11 -6.059 -4.518 1.623 87 2HG1 ILE 11 1HG1 ILE 11 -7.724 -3.949 1.638 88 1HG2 ILE 11 1HG2 ILE 11 -4.456 -3.623 -0.121 89 2HG2 ILE 11 2HG2 ILE 11 -5.111 -2.718 -1.487 90 3HG2 ILE 11 3HG2 ILE 11 -5.506 -4.426 -1.290 91 1HD1 ILE 11 1HD1 ILE 11 -8.237 -5.331 -0.279 92 2HD1 ILE 11 2HD1 ILE 11 -7.547 -6.304 1.019 93 3HD1 ILE 11 3HD1 ILE 11 -6.556 -5.857 -0.371 94 H PHE 12 H PHE 12 -7.677 -0.624 -0.828 95 HA PHE 12 HA PHE 12 -5.483 0.632 -2.229 96 1HB PHE 12 2HB PHE 12 -8.474 0.705 -2.648 97 2HB PHE 12 1HB PHE 12 -7.332 1.585 -3.659 98 HD1 PHE 12 1HD PHE 12 -8.408 -1.783 -2.604 99 HD2 PHE 12 2HD PHE 12 -6.106 0.502 -5.357 100 HE1 PHE 12 1HE PHE 12 -8.104 -3.783 -4.007 101 HE2 PHE 12 2HE PHE 12 -5.799 -1.491 -6.762 102 HZ PHE 12 HZ PHE 12 -6.800 -3.636 -6.090 103 H GLY 13 H GLY 13 -6.582 1.334 0.614 104 1HA GLY 13 2HA GLY 13 -7.078 4.184 0.283 105 2HA GLY 13 1HA GLY 13 -7.053 3.292 1.799 106 H ASP 14 H ASP 14 -4.404 2.106 0.669 107 HA ASP 14 HA ASP 14 -2.735 4.080 1.963 108 1HB ASP 14 2HB ASP 14 -2.255 1.785 2.501 109 2HB ASP 14 1HB ASP 14 -2.090 1.368 0.797 110 H SER 15 H SER 15 -2.208 5.789 0.815 111 HA SER 15 HA SER 15 -0.858 5.292 -1.747 112 1HB SER 15 2HB SER 15 -2.495 7.737 -1.022 113 2HB SER 15 1HB SER 15 -1.671 7.451 -2.556 114 HG SER 15 HG SER 15 -3.108 5.342 -2.267 115 H ALA 16 H ALA 16 -0.617 6.345 1.403 116 HA ALA 16 HA ALA 16 2.065 7.304 1.048 117 1HB ALA 16 1HB ALA 16 1.735 9.521 1.974 118 2HB ALA 16 2HB ALA 16 -0.000 9.236 2.105 119 3HB ALA 16 3HB ALA 16 0.760 9.329 0.517 120 H ALA 17 H ALA 17 0.246 5.342 2.591 121 HA ALA 17 HA ALA 17 0.834 6.177 5.340 122 1HB ALA 17 1HB ALA 17 -1.465 5.453 4.858 123 2HB ALA 17 2HB ALA 17 -0.679 4.395 6.028 124 3HB ALA 17 3HB ALA 17 -0.855 3.878 4.350 125 H ALA 18 H ALA 18 1.298 3.474 3.099 126 HA ALA 18 HA ALA 18 3.738 2.796 4.595 127 1HB ALA 18 1HB ALA 18 2.006 1.178 5.226 128 2HB ALA 18 2HB ALA 18 3.300 0.410 4.307 129 3HB ALA 18 3HB ALA 18 1.761 0.776 3.526 130 H SER 19 H SER 19 2.156 1.348 1.782 131 HA SER 19 HA SER 19 2.784 1.008 -0.356 132 1HB SER 19 2HB SER 19 4.538 3.437 0.033 133 2HB SER 19 1HB SER 19 4.021 2.756 -1.513 134 HG SER 19 HG SER 19 1.863 3.153 0.006 135 HA PRO 20 HA PRO 20 6.350 -1.577 -0.075 136 1HB PRO 20 2HB PRO 20 6.655 -2.197 -2.705 137 2HB PRO 20 1HB PRO 20 5.385 -2.885 -1.686 138 1HG PRO 20 2HG PRO 20 5.230 -0.633 -3.647 139 2HG PRO 20 1HG PRO 20 4.080 -1.952 -3.363 140 1HD PRO 20 2HD PRO 20 3.720 0.554 -2.383 141 2HD PRO 20 1HD PRO 20 3.132 -0.898 -1.548 142 H GLY 21 H GLY 21 8.102 -0.408 0.531 143 1HA GLY 21 2HA GLY 21 10.247 -0.044 -1.093 144 2HA GLY 21 1HA GLY 21 9.376 1.478 -1.231 145 H GLY 22 H GLY 22 11.439 2.298 -0.292 146 1HA GLY 22 2HA GLY 22 11.370 3.615 1.886 147 2HA GLY 22 1HA GLY 22 11.382 2.030 2.646 148 H ALA 23 H ALA 23 13.256 0.994 2.957 149 HA ALA 23 HA ALA 23 15.465 0.861 3.462 150 1HB ALA 23 1HB ALA 23 15.573 0.241 1.088 151 2HB ALA 23 2HB ALA 23 17.034 1.075 1.615 152 3HB ALA 23 3HB ALA 23 15.822 1.933 0.664 153 H GLN 24 H GLN 24 15.226 2.515 5.068 154 HA GLN 24 HA GLN 24 16.279 5.139 4.271 155 1HB GLN 24 2HB GLN 24 15.163 5.988 6.352 156 2HB GLN 24 1HB GLN 24 14.062 5.395 5.118 157 1HG GLN 24 2HG GLN 24 13.827 3.291 6.358 158 2HG GLN 24 1HG GLN 24 14.914 3.912 7.599 159 1HE2 GLN 24 1HE2 GLN 24 13.825 6.615 7.424 160 2HE2 GLN 24 2HE2 GLN 24 12.285 6.569 8.211 161 H ALA 25 H ALA 25 18.224 5.651 4.928 162 HA ALA 25 HA ALA 25 19.470 4.164 7.118 163 1HB ALA 25 1HB ALA 25 20.679 6.113 5.152 164 2HB ALA 25 2HB ALA 25 20.721 4.356 5.018 165 3HB ALA 25 3HB ALA 25 21.565 5.159 6.342 166 HA PRO 26 HA PRO 26 19.000 7.487 10.006 167 1HB PRO 26 2HB PRO 26 21.301 7.216 11.463 168 2HB PRO 26 1HB PRO 26 19.894 6.163 11.648 169 1HG PRO 26 2HG PRO 26 22.422 5.699 10.123 170 2HG PRO 26 1HG PRO 26 21.503 4.573 11.139 171 1HD PRO 26 2HD PRO 26 21.352 4.529 8.442 172 2HD PRO 26 1HD PRO 26 19.965 4.127 9.475 173 H ALA 27 H ALA 27 19.158 9.492 9.240 174 HA ALA 27 HA ALA 27 21.698 10.415 8.109 175 1HB ALA 27 1HB ALA 27 20.397 12.241 7.139 176 2HB ALA 27 2HB ALA 27 18.953 11.668 7.975 177 3HB ALA 27 3HB ALA 27 19.697 10.676 6.720 178 H THR 28 H THR 28 22.360 12.650 8.585 179 HA THR 28 HA THR 28 23.007 14.305 9.990 180 HB THR 28 HB THR 28 20.509 13.814 11.617 181 HG1 THR 28 1HG THR 28 19.740 15.509 9.952 182 1HG2 THR 28 1HG2 THR 28 20.581 16.254 11.900 183 2HG2 THR 28 2HG2 THR 28 22.033 16.332 10.904 184 3HG2 THR 28 3HG2 THR 28 22.076 15.512 12.464 185 H THR 29 H THR 29 23.640 11.475 10.481 186 HA THR 29 HA THR 29 23.855 11.137 13.321 187 HB THR 29 HB THR 29 25.420 9.235 12.591 188 HG1 THR 29 1HG THR 29 24.829 8.750 10.229 189 1HG2 THR 29 1HG2 THR 29 23.526 7.834 11.844 190 2HG2 THR 29 2HG2 THR 29 22.558 9.290 11.619 191 3HG2 THR 29 3HG2 THR 29 23.107 8.837 13.232 192 H GLY 30 H GLY 30 26.436 11.087 10.885 193 1HA GLY 30 2HA GLY 30 27.985 12.949 12.581 194 2HA GLY 30 1HA GLY 30 28.718 11.515 11.872 195 H ALA 31 H ALA 31 26.335 13.180 10.054 196 HA ALA 31 HA ALA 31 28.183 14.871 8.623 197 1HB ALA 31 1HB ALA 31 27.898 13.792 6.453 198 2HB ALA 31 2HB ALA 31 26.959 12.503 7.206 199 3HB ALA 31 3HB ALA 31 28.668 12.694 7.600 200 H ALA 32 H ALA 32 27.033 15.974 6.773 201 HA ALA 32 HA ALA 32 24.641 17.128 7.696 202 1HB ALA 32 1HB ALA 32 26.206 18.304 6.229 203 2HB ALA 32 2HB ALA 32 24.577 18.287 5.551 204 3HB ALA 32 3HB ALA 32 25.807 17.194 4.917 205 H GLY 33 H GLY 33 22.554 16.718 7.341 206 1HA GLY 33 2HA GLY 33 21.858 14.669 5.340 207 2HA GLY 33 1HA GLY 33 21.156 14.663 6.952 208 H THR 34 H THR 34 21.628 16.942 4.255 209 HA THR 34 HA THR 34 19.358 18.510 4.970 210 HB THR 34 HB THR 34 20.659 18.531 2.255 211 HG1 THR 34 1HG THR 34 21.917 20.287 3.692 212 1HG2 THR 34 1HG2 THR 34 20.188 20.935 2.400 213 2HG2 THR 34 2HG2 THR 34 19.504 20.705 4.009 214 3HG2 THR 34 3HG2 THR 34 18.715 19.983 2.608 215 H ALA 35 H ALA 35 20.000 15.901 2.713 216 HA ALA 35 HA ALA 35 18.627 14.389 1.710 217 1HB ALA 35 1HB ALA 35 16.290 14.209 2.340 218 2HB ALA 35 2HB ALA 35 16.363 15.784 3.133 219 3HB ALA 35 3HB ALA 35 17.300 14.432 3.771 220 HA PRO 36 HA PRO 36 17.318 16.489 -1.960 221 1HB PRO 36 2HB PRO 36 15.958 14.528 -3.221 222 2HB PRO 36 1HB PRO 36 17.717 14.496 -3.049 223 1HG PRO 36 2HG PRO 36 15.628 13.057 -1.463 224 2HG PRO 36 1HG PRO 36 17.187 12.463 -2.060 225 1HD PRO 36 2HD PRO 36 16.767 13.279 0.513 226 2HD PRO 36 1HD PRO 36 18.343 13.367 -0.298 227 H THR 37 H THR 37 15.889 18.079 -1.381 228 HA THR 37 HA THR 37 13.186 17.464 -0.604 229 HB THR 37 HB THR 37 13.079 20.104 -0.957 230 HG1 THR 37 1HG THR 37 14.995 21.013 -1.186 231 1HG2 THR 37 1HG2 THR 37 12.794 18.958 1.184 232 2HG2 THR 37 2HG2 THR 37 13.835 20.369 1.367 233 3HG2 THR 37 3HG2 THR 37 14.540 18.755 1.318 234 H ALA 38 H ALA 38 12.480 16.325 -2.461 235 HA ALA 38 HA ALA 38 11.919 18.058 -4.776 236 1HB ALA 38 1HB ALA 38 13.425 16.250 -5.376 237 2HB ALA 38 2HB ALA 38 11.853 16.019 -6.144 238 3HB ALA 38 3HB ALA 38 12.293 15.063 -4.728 239 HA PRO 39 HA PRO 39 7.751 17.264 -3.141 240 1HB PRO 39 2HB PRO 39 6.618 19.377 -4.411 241 2HB PRO 39 1HB PRO 39 7.488 19.530 -2.881 242 1HG PRO 39 2HG PRO 39 8.426 20.126 -5.657 243 2HG PRO 39 1HG PRO 39 8.698 21.037 -4.161 244 1HD PRO 39 2HD PRO 39 10.554 19.377 -5.254 245 2HD PRO 39 1HD PRO 39 10.436 19.687 -3.511 246 H GLN 40 H GLN 40 6.022 16.259 -4.100 247 HA GLN 40 HA GLN 40 5.713 16.243 -6.967 248 1HB GLN 40 2HB GLN 40 5.988 13.793 -7.197 249 2HB GLN 40 1HB GLN 40 7.488 14.611 -6.784 250 1HG GLN 40 2HG GLN 40 7.261 13.913 -4.472 251 2HG GLN 40 1HG GLN 40 5.714 13.152 -4.837 252 1HE2 GLN 40 1HE2 GLN 40 8.183 11.998 -3.770 253 2HE2 GLN 40 2HE2 GLN 40 8.615 10.718 -4.860 254 HA PRO 41 HA PRO 41 1.493 15.521 -5.834 255 1HB PRO 41 2HB PRO 41 1.290 14.077 -8.413 256 2HB PRO 41 1HB PRO 41 0.382 15.477 -7.835 257 1HG PRO 41 2HG PRO 41 2.248 15.739 -9.722 258 2HG PRO 41 1HG PRO 41 2.033 16.975 -8.468 259 1HD PRO 41 2HD PRO 41 4.106 14.823 -8.674 260 2HD PRO 41 1HD PRO 41 4.291 16.517 -8.171 261 H THR 42 H THR 42 0.844 14.008 -4.448 262 HA THR 42 HA THR 42 2.028 11.376 -4.559 263 HB THR 42 HB THR 42 0.033 12.442 -2.554 264 HG1 THR 42 1HG THR 42 2.833 12.698 -2.812 265 1HG2 THR 42 1HG2 THR 42 0.974 10.705 -1.096 266 2HG2 THR 42 2HG2 THR 42 2.017 10.165 -2.410 267 3HG2 THR 42 3HG2 THR 42 0.268 9.999 -2.549 268 H ALA 43 H ALA 43 1.060 10.623 -6.488 269 HA ALA 43 HA ALA 43 -1.729 9.760 -6.160 270 1HB ALA 43 1HB ALA 43 -1.254 10.919 -8.262 271 2HB ALA 43 2HB ALA 43 -1.678 9.232 -8.553 272 3HB ALA 43 3HB ALA 43 0.008 9.745 -8.632 273 H ALA 44 H ALA 44 -2.120 7.450 -7.004 274 HA ALA 44 HA ALA 44 0.146 5.720 -6.334 275 1HB ALA 44 1HB ALA 44 -1.164 5.965 -4.285 276 2HB ALA 44 2HB ALA 44 -1.250 4.319 -4.911 277 3HB ALA 44 3HB ALA 44 -2.606 5.420 -5.143 278 HA PRO 45 HA PRO 45 -2.038 4.076 -9.996 279 1HB PRO 45 2HB PRO 45 -0.026 4.164 -11.726 280 2HB PRO 45 1HB PRO 45 -0.894 5.635 -11.289 281 1HG PRO 45 2HG PRO 45 1.783 4.674 -10.397 282 2HG PRO 45 1HG PRO 45 1.233 6.324 -10.735 283 1HD PRO 45 2HD PRO 45 1.419 5.126 -8.200 284 2HD PRO 45 1HD PRO 45 0.552 6.623 -8.590 285 H SER 46 H SER 46 0.026 2.966 -7.795 286 HA SER 46 HA SER 46 0.035 0.281 -8.911 287 1HB SER 46 2HB SER 46 2.531 1.553 -7.758 288 2HB SER 46 1HB SER 46 2.374 -0.109 -8.334 289 HG SER 46 HG SER 46 1.562 1.405 -10.306 290 H ILE 47 H ILE 47 -1.217 -0.669 -7.431 291 HA ILE 47 HA ILE 47 -0.664 -0.150 -4.584 292 HB ILE 47 HB ILE 47 -3.146 -1.311 -5.864 293 1HG1 ILE 47 2HG1 ILE 47 -2.963 1.081 -6.269 294 2HG1 ILE 47 1HG1 ILE 47 -4.229 0.775 -5.083 295 1HG2 ILE 47 1HG2 ILE 47 -4.123 -1.238 -3.627 296 2HG2 ILE 47 2HG2 ILE 47 -2.593 -0.658 -2.969 297 3HG2 ILE 47 3HG2 ILE 47 -2.697 -2.276 -3.662 298 1HD1 ILE 47 1HD1 ILE 47 -2.730 1.427 -3.293 299 2HD1 ILE 47 2HD1 ILE 47 -2.872 2.709 -4.494 300 3HD1 ILE 47 3HD1 ILE 47 -1.433 1.688 -4.458 301 H ASP 48 H ASP 48 0.762 -1.674 -3.882 302 HA ASP 48 HA ASP 48 0.546 -4.372 -4.966 303 1HB ASP 48 2HB ASP 48 2.759 -3.106 -4.630 304 2HB ASP 48 1HB ASP 48 2.565 -3.482 -2.921 305 H VAL 49 H VAL 49 -0.778 -5.729 -4.030 306 HA VAL 49 HA VAL 49 -2.039 -5.063 -1.545 307 HB VAL 49 HB VAL 49 -2.363 -7.587 -3.169 308 1HG1 VAL 49 1HG1 VAL 49 -3.333 -7.711 -0.935 309 2HG1 VAL 49 2HG1 VAL 49 -4.588 -7.679 -2.175 310 3HG1 VAL 49 3HG1 VAL 49 -4.236 -6.226 -1.239 311 1HG2 VAL 49 1HG2 VAL 49 -2.704 -5.632 -4.590 312 2HG2 VAL 49 2HG2 VAL 49 -3.857 -4.979 -3.425 313 3HG2 VAL 49 3HG2 VAL 49 -4.223 -6.473 -4.288 314 H ALA 50 H ALA 50 0.656 -6.961 -2.412 315 HA ALA 50 HA ALA 50 0.516 -9.079 -0.609 316 1HB ALA 50 1HB ALA 50 2.910 -9.335 -0.915 317 2HB ALA 50 2HB ALA 50 3.007 -7.723 -1.620 318 3HB ALA 50 3HB ALA 50 2.114 -8.994 -2.451 319 HA PRO 51 HA PRO 51 3.069 -6.629 2.652 320 1HB PRO 51 2HB PRO 51 3.251 -3.918 2.383 321 2HB PRO 51 1HB PRO 51 4.469 -5.044 1.777 322 1HG PRO 51 2HG PRO 51 2.261 -3.669 0.305 323 2HG PRO 51 1HG PRO 51 3.940 -3.948 -0.194 324 1HD PRO 51 2HD PRO 51 1.895 -5.468 -1.093 325 2HD PRO 51 1HD PRO 51 3.522 -6.124 -0.831 326 H ILE 52 H ILE 52 0.382 -4.909 1.141 327 HA ILE 52 HA ILE 52 -0.565 -3.579 3.417 328 HB ILE 52 HB ILE 52 -2.156 -4.555 1.041 329 1HG1 ILE 52 2HG1 ILE 52 -0.848 -1.877 1.590 330 2HG1 ILE 52 1HG1 ILE 52 -0.284 -3.071 0.422 331 1HG2 ILE 52 1HG2 ILE 52 -3.609 -4.030 2.915 332 2HG2 ILE 52 2HG2 ILE 52 -3.757 -2.791 1.667 333 3HG2 ILE 52 3HG2 ILE 52 -2.813 -2.469 3.123 334 1HD1 ILE 52 1HD1 ILE 52 -2.329 -2.787 -0.862 335 2HD1 ILE 52 2HD1 ILE 52 -1.489 -1.250 -0.647 336 3HD1 ILE 52 3HD1 ILE 52 -2.918 -1.617 0.320 337 H LEU 53 H LEU 53 -1.391 -6.789 2.105 338 HA LEU 53 HA LEU 53 -3.292 -7.150 4.275 339 1HB LEU 53 2HB LEU 53 -2.578 -8.894 1.929 340 2HB LEU 53 1HB LEU 53 -3.713 -9.371 3.178 341 HG LEU 53 HG LEU 53 -3.993 -7.135 1.193 342 1HD1 LEU 53 1HD1 LEU 53 -5.674 -9.569 1.784 343 2HD1 LEU 53 2HD1 LEU 53 -4.599 -9.356 0.399 344 3HD1 LEU 53 3HD1 LEU 53 -6.029 -8.336 0.570 345 1HD2 LEU 53 1HD2 LEU 53 -4.722 -6.306 3.354 346 2HD2 LEU 53 2HD2 LEU 53 -5.734 -7.732 3.580 347 3HD2 LEU 53 3HD2 LEU 53 -6.106 -6.581 2.297 348 H ASP 54 H ASP 54 -0.219 -8.548 3.193 349 HA ASP 54 HA ASP 54 -0.187 -10.690 5.005 350 1HB ASP 54 2HB ASP 54 1.373 -10.517 3.092 351 2HB ASP 54 1HB ASP 54 2.211 -9.201 3.910 352 H LYS 55 H LYS 55 0.948 -7.356 5.348 353 HA LYS 55 HA LYS 55 2.047 -7.908 7.950 354 1HB LYS 55 2HB LYS 55 1.591 -5.193 6.717 355 2HB LYS 55 1HB LYS 55 2.688 -5.602 8.031 356 1HG LYS 55 2HG LYS 55 2.935 -6.312 5.124 357 2HG LYS 55 1HG LYS 55 4.024 -5.336 6.110 358 1HD LYS 55 2HD LYS 55 4.819 -7.221 7.283 359 2HD LYS 55 1HD LYS 55 3.497 -8.238 6.703 360 1HE LYS 55 2HE LYS 55 4.399 -7.954 4.390 361 2HE LYS 55 1HE LYS 55 5.791 -7.128 5.089 362 1HZ LYS 55 1HZ LYS 55 4.965 -9.942 5.597 363 2HZ LYS 55 2HZ LYS 55 6.248 -9.158 6.384 364 3HZ LYS 55 3HZ LYS 55 6.320 -9.429 4.709 365 H ALA 56 H ALA 56 -0.920 -6.538 6.671 366 HA ALA 56 HA ALA 56 -1.993 -5.595 9.103 367 1HB ALA 56 1HB ALA 56 -2.940 -4.988 6.943 368 2HB ALA 56 2HB ALA 56 -4.170 -5.729 7.970 369 3HB ALA 56 3HB ALA 56 -3.425 -6.660 6.667 370 H VAL 57 H VAL 57 -1.755 -8.736 7.644 371 HA VAL 57 HA VAL 57 -3.508 -10.220 9.197 372 HB VAL 57 HB VAL 57 -0.947 -10.859 7.787 373 1HG1 VAL 57 1HG1 VAL 57 -1.251 -13.239 8.365 374 2HG1 VAL 57 2HG1 VAL 57 -2.485 -12.762 9.536 375 3HG1 VAL 57 3HG1 VAL 57 -0.814 -12.240 9.752 376 1HG2 VAL 57 1HG2 VAL 57 -2.435 -12.320 6.485 377 2HG2 VAL 57 2HG2 VAL 57 -2.988 -10.645 6.482 378 3HG2 VAL 57 3HG2 VAL 57 -3.789 -11.837 7.508 379 H LYS 58 H LYS 58 -0.014 -9.671 9.841 380 HA LYS 58 HA LYS 58 -0.299 -10.852 12.443 381 1HB LYS 58 2HB LYS 58 2.090 -10.091 12.776 382 2HB LYS 58 1HB LYS 58 1.809 -11.250 11.490 383 1HG LYS 58 2HG LYS 58 1.816 -8.386 10.739 384 2HG LYS 58 1HG LYS 58 3.357 -9.104 11.207 385 1HD LYS 58 2HD LYS 58 1.510 -10.176 9.073 386 2HD LYS 58 1HD LYS 58 2.961 -9.219 8.781 387 1HE LYS 58 2HE LYS 58 4.344 -10.951 9.744 388 2HE LYS 58 1HE LYS 58 2.915 -11.881 10.189 389 1HZ LYS 58 1HZ LYS 58 4.027 -12.677 8.151 390 2HZ LYS 58 2HZ LYS 58 3.654 -11.213 7.386 391 3HZ LYS 58 3HZ LYS 58 2.411 -12.245 7.894 392 H ALA 59 H ALA 59 -1.027 -7.872 11.196 393 HA ALA 59 HA ALA 59 -0.635 -6.420 13.677 394 1HB ALA 59 1HB ALA 59 -0.403 -5.242 11.550 395 2HB ALA 59 2HB ALA 59 -1.706 -4.557 12.522 396 3HB ALA 59 3HB ALA 59 -2.082 -5.611 11.160 397 H LYS 60 H LYS 60 -2.937 -8.480 12.264 398 HA LYS 60 HA LYS 60 -5.168 -7.553 13.869 399 1HB LYS 60 2HB LYS 60 -5.506 -8.598 11.619 400 2HB LYS 60 1HB LYS 60 -4.881 -10.109 12.262 401 1HG LYS 60 2HG LYS 60 -7.292 -10.169 12.183 402 2HG LYS 60 1HG LYS 60 -6.745 -10.185 13.861 403 1HD LYS 60 2HD LYS 60 -7.232 -7.819 14.074 404 2HD LYS 60 1HD LYS 60 -7.684 -7.734 12.371 405 1HE LYS 60 2HE LYS 60 -9.523 -9.312 12.803 406 2HE LYS 60 1HE LYS 60 -9.079 -9.344 14.508 407 1HZ LYS 60 1HZ LYS 60 -9.676 -7.081 14.753 408 2HZ LYS 60 2HZ LYS 60 -10.954 -7.815 13.910 409 3HZ LYS 60 3HZ LYS 60 -9.832 -6.855 13.083 410 H GLY 61 H GLY 61 -2.828 -10.198 13.816 411 1HA GLY 61 2HA GLY 61 -2.197 -10.212 16.440 412 2HA GLY 61 1HA GLY 61 -3.679 -11.150 16.419 413 H GLU 62 H GLU 62 -3.622 -12.881 14.580 414 HA GLU 62 HA GLU 62 -1.251 -14.479 15.246 415 1HB GLU 62 2HB GLU 62 -2.722 -16.423 14.697 416 2HB GLU 62 1HB GLU 62 -3.304 -15.445 16.038 417 1HG GLU 62 2HG GLU 62 -4.827 -14.291 14.441 418 2HG GLU 62 1HG GLU 62 -4.330 -15.452 13.211 419 H LYS 63 H LYS 63 -0.961 -16.343 13.493 420 HA LYS 63 HA LYS 63 -0.363 -14.985 11.026 421 1HB LYS 63 2HB LYS 63 1.127 -16.781 12.000 422 2HB LYS 63 1HB LYS 63 -0.109 -17.953 11.570 423 1HG LYS 63 2HG LYS 63 1.160 -16.140 9.526 424 2HG LYS 63 1HG LYS 63 1.851 -17.701 9.967 425 1HD LYS 63 2HD LYS 63 0.095 -18.888 9.037 426 2HD LYS 63 1HD LYS 63 -1.021 -17.532 9.162 427 1HE LYS 63 2HE LYS 63 -0.574 -17.733 6.873 428 2HE LYS 63 1HE LYS 63 0.418 -16.382 7.413 429 1HZ LYS 63 1HZ LYS 63 2.351 -17.688 7.305 430 2HZ LYS 63 2HZ LYS 63 1.489 -18.038 5.885 431 3HZ LYS 63 3HZ LYS 63 1.471 -19.135 7.178 432 H LEU 64 H LEU 64 -1.996 -14.483 9.848 433 HA LEU 64 HA LEU 64 -4.047 -16.470 9.200 434 1HB LEU 64 2HB LEU 64 -3.941 -13.487 8.701 435 2HB LEU 64 1HB LEU 64 -5.268 -14.537 8.245 436 HG LEU 64 HG LEU 64 -4.376 -13.999 11.078 437 1HD1 LEU 64 1HD1 LEU 64 -6.436 -12.715 11.268 438 2HD1 LEU 64 2HD1 LEU 64 -6.795 -13.014 9.566 439 3HD1 LEU 64 3HD1 LEU 64 -5.393 -12.039 10.014 440 1HD2 LEU 64 1HD2 LEU 64 -5.356 -16.214 10.825 441 2HD2 LEU 64 2HD2 LEU 64 -6.751 -15.517 9.999 442 3HD2 LEU 64 3HD2 LEU 64 -6.453 -15.145 11.698 443 H GLU 65 H GLU 65 -4.580 -16.756 6.885 444 HA GLU 65 HA GLU 65 -2.268 -16.123 5.173 445 1HB GLU 65 2HB GLU 65 -2.217 -18.504 6.028 446 2HB GLU 65 1HB GLU 65 -3.684 -18.787 5.104 447 1HG GLU 65 2HG GLU 65 -1.705 -19.554 3.909 448 2HG GLU 65 1HG GLU 65 -2.519 -18.251 3.042 449 H TRP 66 H TRP 66 -3.404 -14.473 4.229 450 HA TRP 66 HA TRP 66 -6.006 -14.772 3.130 451 1HB TRP 66 2HB TRP 66 -5.533 -12.577 2.058 452 2HB TRP 66 1HB TRP 66 -5.222 -12.583 3.791 453 HD1 TRP 66 HD TRP 66 -2.630 -12.480 4.571 454 HE1 TRP 66 1HE TRP 66 -0.542 -11.578 3.370 455 HE3 TRP 66 3HE TRP 66 -4.442 -12.303 -0.213 456 HZ2 TRP 66 2HZ TRP 66 0.242 -10.889 0.753 457 HZ3 TRP 66 3HZ TRP 66 -2.955 -11.508 -2.004 458 HH2 TRP 66 HH TRP 66 -0.659 -10.816 -1.530 459 H ARG 67 H ARG 67 -2.975 -15.785 2.097 460 HA ARG 67 HA ARG 67 -3.275 -15.531 -0.709 461 1HB ARG 67 2HB ARG 67 -1.599 -17.429 0.943 462 2HB ARG 67 1HB ARG 67 -1.462 -17.245 -0.801 463 1HG ARG 67 2HG ARG 67 -0.705 -14.998 -0.583 464 2HG ARG 67 1HG ARG 67 -1.064 -14.984 1.144 465 1HD ARG 67 2HD ARG 67 0.657 -16.666 1.528 466 2HD ARG 67 1HD ARG 67 0.991 -16.738 -0.202 467 HE ARG 67 HE ARG 67 2.128 -14.730 -0.068 468 1HH1 ARG 67 1HH1 ARG 67 0.545 -15.435 3.007 469 2HH1 ARG 67 2HH1 ARG 67 1.413 -14.187 3.862 470 1HH2 ARG 67 1HH2 ARG 67 3.263 -13.114 1.108 471 2HH2 ARG 67 2HH2 ARG 67 2.939 -12.889 2.801 472 H THR 68 H THR 68 -4.495 -17.775 1.633 473 HA THR 68 HA THR 68 -5.547 -19.459 -0.545 474 HB THR 68 HB THR 68 -5.600 -21.314 1.144 475 HG1 THR 68 1HG THR 68 -5.383 -20.496 3.124 476 1HG2 THR 68 1HG2 THR 68 -2.895 -20.104 0.569 477 2HG2 THR 68 2HG2 THR 68 -3.799 -21.175 -0.502 478 3HG2 THR 68 3HG2 THR 68 -3.188 -21.780 1.038 479 H SER 69 H SER 69 -6.215 -18.215 2.720 480 HA SER 69 HA SER 69 -8.936 -19.227 2.554 481 1HB SER 69 2HB SER 69 -7.313 -18.045 4.813 482 2HB SER 69 1HB SER 69 -8.989 -18.552 4.983 483 HG SER 69 HG SER 69 -8.253 -20.493 5.274 484 H ILE 70 H ILE 70 -10.709 -17.998 2.323 485 HA ILE 70 HA ILE 70 -10.259 -15.194 1.691 486 HB ILE 70 HB ILE 70 -11.570 -16.597 0.138 487 1HG1 ILE 70 2HG1 ILE 70 -13.387 -14.979 -0.220 488 2HG1 ILE 70 1HG1 ILE 70 -13.133 -14.338 1.402 489 1HG2 ILE 70 1HG2 ILE 70 -13.583 -16.683 2.376 490 2HG2 ILE 70 2HG2 ILE 70 -12.696 -18.048 1.697 491 3HG2 ILE 70 3HG2 ILE 70 -13.888 -17.195 0.717 492 1HD1 ILE 70 1HD1 ILE 70 -10.884 -13.636 0.777 493 2HD1 ILE 70 2HD1 ILE 70 -12.104 -12.922 -0.281 494 3HD1 ILE 70 3HD1 ILE 70 -11.134 -14.283 -0.847 495 H VAL 71 H VAL 71 -12.014 -17.144 4.041 496 HA VAL 71 HA VAL 71 -13.375 -14.987 5.319 497 HB VAL 71 HB VAL 71 -12.543 -17.652 6.511 498 1HG1 VAL 71 1HG1 VAL 71 -14.735 -15.752 7.327 499 2HG1 VAL 71 2HG1 VAL 71 -13.208 -15.982 8.177 500 3HG1 VAL 71 3HG1 VAL 71 -14.369 -17.307 8.076 501 1HG2 VAL 71 1HG2 VAL 71 -13.848 -17.993 4.493 502 2HG2 VAL 71 2HG2 VAL 71 -15.083 -16.882 5.082 503 3HG2 VAL 71 3HG2 VAL 71 -14.803 -18.409 5.916 504 H ASP 72 H ASP 72 -10.239 -16.222 5.317 505 HA ASP 72 HA ASP 72 -9.211 -15.432 7.789 506 1HB ASP 72 2HB ASP 72 -8.202 -17.036 6.195 507 2HB ASP 72 1HB ASP 72 -7.837 -15.695 5.114 508 H LEU 73 H LEU 73 -8.708 -13.896 4.607 509 HA LEU 73 HA LEU 73 -7.471 -11.607 5.664 510 1HB LEU 73 2HB LEU 73 -7.816 -10.636 3.396 511 2HB LEU 73 1HB LEU 73 -7.018 -12.193 3.413 512 HG LEU 73 HG LEU 73 -9.437 -13.112 2.944 513 1HD1 LEU 73 1HD1 LEU 73 -10.601 -10.989 3.203 514 2HD1 LEU 73 2HD1 LEU 73 -10.762 -11.595 1.554 515 3HD1 LEU 73 3HD1 LEU 73 -9.631 -10.288 1.905 516 1HD2 LEU 73 1HD2 LEU 73 -7.770 -11.722 0.853 517 2HD2 LEU 73 2HD2 LEU 73 -8.994 -12.952 0.539 518 3HD2 LEU 73 3HD2 LEU 73 -7.538 -13.364 1.447 519 H MET 74 H MET 74 -10.799 -12.396 5.174 520 HA MET 74 HA MET 74 -11.935 -9.854 5.074 521 1HB MET 74 2HB MET 74 -13.201 -11.885 4.602 522 2HB MET 74 1HB MET 74 -13.030 -12.406 6.271 523 1HG MET 74 2HG MET 74 -14.403 -10.588 7.034 524 2HG MET 74 1HG MET 74 -14.477 -9.913 5.407 525 1HE MET 74 1HE MET 74 -14.638 -13.745 6.256 526 2HE MET 74 2HE MET 74 -16.369 -13.978 6.515 527 3HE MET 74 3HE MET 74 -15.428 -13.006 7.647 528 H LYS 75 H LYS 75 -11.243 -11.904 7.918 529 HA LYS 75 HA LYS 75 -12.265 -9.986 9.746 530 1HB LYS 75 2HB LYS 75 -11.380 -11.357 11.503 531 2HB LYS 75 1HB LYS 75 -12.069 -12.407 10.277 532 1HG LYS 75 2HG LYS 75 -9.868 -12.940 9.441 533 2HG LYS 75 1HG LYS 75 -9.133 -11.808 10.579 534 1HD LYS 75 2HD LYS 75 -8.909 -14.022 11.476 535 2HD LYS 75 1HD LYS 75 -10.107 -13.159 12.441 536 1HE LYS 75 2HE LYS 75 -11.890 -14.247 11.090 537 2HE LYS 75 1HE LYS 75 -10.644 -15.188 10.273 538 1HZ LYS 75 1HZ LYS 75 -9.988 -15.932 12.609 539 2HZ LYS 75 2HZ LYS 75 -11.415 -16.575 11.955 540 3HZ LYS 75 3HZ LYS 75 -11.497 -15.325 13.104 541 H ALA 76 H ALA 76 -9.176 -10.457 8.230 542 HA ALA 76 HA ALA 76 -7.507 -9.065 10.015 543 1HB ALA 76 1HB ALA 76 -7.251 -9.328 7.019 544 2HB ALA 76 2HB ALA 76 -6.650 -10.476 8.216 545 3HB ALA 76 3HB ALA 76 -5.971 -8.850 8.135 546 H LEU 77 H LEU 77 -9.268 -7.876 7.119 547 HA LEU 77 HA LEU 77 -8.534 -5.139 7.566 548 1HB LEU 77 2HB LEU 77 -10.658 -6.415 5.847 549 2HB LEU 77 1HB LEU 77 -10.499 -4.675 5.984 550 HG LEU 77 HG LEU 77 -9.402 -5.281 3.988 551 1HD1 LEU 77 1HD1 LEU 77 -7.065 -4.680 4.389 552 2HD1 LEU 77 2HD1 LEU 77 -7.301 -4.930 6.121 553 3HD1 LEU 77 3HD1 LEU 77 -8.177 -3.645 5.285 554 1HD2 LEU 77 1HD2 LEU 77 -7.635 -6.977 3.870 555 2HD2 LEU 77 2HD2 LEU 77 -9.193 -7.660 4.340 556 3HD2 LEU 77 3HD2 LEU 77 -7.941 -7.397 5.555 557 H ASP 78 H ASP 78 -10.478 -7.178 9.189 558 HA ASP 78 HA ASP 78 -11.646 -6.900 11.095 559 1HB ASP 78 2HB ASP 78 -10.481 -4.730 11.493 560 2HB ASP 78 1HB ASP 78 -11.765 -3.926 10.591 561 H ILE 79 H ILE 79 -13.129 -8.088 10.000 562 HA ILE 79 HA ILE 79 -15.618 -6.589 9.468 563 HB ILE 79 HB ILE 79 -14.675 -9.089 8.030 564 1HG1 ILE 79 2HG1 ILE 79 -13.590 -7.016 7.239 565 2HG1 ILE 79 1HG1 ILE 79 -14.646 -7.713 6.019 566 1HG2 ILE 79 1HG2 ILE 79 -17.257 -7.562 7.741 567 2HG2 ILE 79 2HG2 ILE 79 -17.060 -9.195 8.377 568 3HG2 ILE 79 3HG2 ILE 79 -16.721 -8.864 6.678 569 1HD1 ILE 79 1HD1 ILE 79 -14.857 -5.301 6.091 570 2HD1 ILE 79 2HD1 ILE 79 -15.310 -5.381 7.795 571 3HD1 ILE 79 3HD1 ILE 79 -16.368 -6.077 6.567 572 H ASP 80 H ASP 80 -17.565 -7.767 10.084 573 HA ASP 80 HA ASP 80 -17.654 -8.978 12.525 574 1HB ASP 80 2HB ASP 80 -19.687 -8.295 11.484 575 2HB ASP 80 1HB ASP 80 -19.427 -9.369 10.117 576 H SER 81 H SER 81 -17.635 -10.730 9.434 577 HA SER 81 HA SER 81 -16.685 -12.667 8.776 578 1HB SER 81 2HB SER 81 -15.216 -12.593 11.417 579 2HB SER 81 1HB SER 81 -14.780 -13.546 9.997 580 HG SER 81 HG SER 81 -14.448 -10.841 10.504 581 H SER 82 H SER 82 -19.059 -12.529 10.819 582 HA SER 82 HA SER 82 -19.024 -15.343 11.604 583 1HB SER 82 2HB SER 82 -19.852 -13.577 13.195 584 2HB SER 82 1HB SER 82 -21.185 -13.273 12.080 585 HG SER 82 HG SER 82 -21.622 -14.762 13.872 586 H LEU 83 H LEU 83 -21.906 -15.623 11.341 587 HA LEU 83 HA LEU 83 -21.950 -16.708 8.734 588 1HB LEU 83 2HB LEU 83 -23.243 -17.467 10.790 589 2HB LEU 83 1HB LEU 83 -24.347 -16.148 10.470 590 HG LEU 83 HG LEU 83 -25.063 -18.440 9.680 591 1HD1 LEU 83 1HD1 LEU 83 -25.989 -17.611 7.563 592 2HD1 LEU 83 2HD1 LEU 83 -24.905 -16.222 7.652 593 3HD1 LEU 83 3HD1 LEU 83 -26.156 -16.443 8.875 594 1HD2 LEU 83 1HD2 LEU 83 -22.938 -17.923 7.605 595 2HD2 LEU 83 2HD2 LEU 83 -24.157 -19.196 7.527 596 3HD2 LEU 83 3HD2 LEU 83 -22.943 -19.217 8.804 597 H SER 84 H SER 84 -23.315 -13.750 10.122 598 HA SER 84 HA SER 84 -24.909 -12.998 7.943 599 1HB SER 84 2HB SER 84 -24.937 -11.999 10.267 600 2HB SER 84 1HB SER 84 -23.493 -11.095 9.818 601 HG SER 84 HG SER 84 -26.094 -10.925 8.707 602 H ALA 85 H ALA 85 -21.549 -12.129 8.713 603 HA ALA 85 HA ALA 85 -21.132 -10.431 6.511 604 1HB ALA 85 1HB ALA 85 -18.781 -10.634 6.987 605 2HB ALA 85 2HB ALA 85 -19.058 -12.096 7.935 606 3HB ALA 85 3HB ALA 85 -19.666 -10.543 8.512 607 H ARG 86 H ARG 86 -20.303 -13.853 6.968 608 HA ARG 86 HA ARG 86 -19.227 -14.319 4.427 609 1HB ARG 86 2HB ARG 86 -20.629 -16.197 6.336 610 2HB ARG 86 1HB ARG 86 -19.769 -16.722 4.895 611 1HG ARG 86 2HG ARG 86 -17.694 -15.823 5.775 612 2HG ARG 86 1HG ARG 86 -18.544 -15.235 7.208 613 1HD ARG 86 2HD ARG 86 -18.456 -18.130 6.385 614 2HD ARG 86 1HD ARG 86 -17.301 -17.400 7.497 615 HE ARG 86 HE ARG 86 -19.560 -16.787 8.724 616 1HH1 ARG 86 1HH1 ARG 86 -18.730 -19.782 7.122 617 2HH1 ARG 86 2HH1 ARG 86 -19.593 -20.786 8.245 618 1HH2 ARG 86 1HH2 ARG 86 -20.675 -18.119 10.253 619 2HH2 ARG 86 2HH2 ARG 86 -20.686 -19.836 10.025 620 H LYS 87 H LYS 87 -22.495 -14.047 5.510 621 HA LYS 87 HA LYS 87 -23.709 -15.465 3.369 622 1HB LYS 87 2HB LYS 87 -24.757 -15.036 5.610 623 2HB LYS 87 1HB LYS 87 -24.963 -13.356 5.132 624 1HG LYS 87 2HG LYS 87 -27.023 -14.599 4.815 625 2HG LYS 87 1HG LYS 87 -26.375 -14.061 3.263 626 1HD LYS 87 2HD LYS 87 -27.115 -16.328 3.020 627 2HD LYS 87 1HD LYS 87 -25.351 -16.316 2.986 628 1HE LYS 87 2HE LYS 87 -26.043 -18.149 4.348 629 2HE LYS 87 1HE LYS 87 -25.373 -16.911 5.408 630 1HZ LYS 87 1HZ LYS 87 -28.271 -17.324 4.903 631 2HZ LYS 87 2HZ LYS 87 -27.589 -16.220 6.003 632 3HZ LYS 87 3HZ LYS 87 -27.435 -17.890 6.266 633 H GLU 88 H GLU 88 -23.381 -11.952 4.049 634 HA GLU 88 HA GLU 88 -24.664 -11.211 1.642 635 1HB GLU 88 2HB GLU 88 -23.885 -8.934 2.073 636 2HB GLU 88 1HB GLU 88 -24.593 -9.658 3.507 637 1HG GLU 88 2HG GLU 88 -22.524 -9.870 4.560 638 2HG GLU 88 1HG GLU 88 -21.635 -9.644 3.050 639 H LEU 89 H LEU 89 -21.270 -11.688 2.445 640 HA LEU 89 HA LEU 89 -20.201 -10.677 0.033 641 1HB LEU 89 2HB LEU 89 -18.795 -11.102 1.969 642 2HB LEU 89 1HB LEU 89 -19.158 -12.816 1.899 643 HG LEU 89 HG LEU 89 -17.951 -12.990 -0.234 644 1HD1 LEU 89 1HD1 LEU 89 -17.353 -10.067 0.192 645 2HD1 LEU 89 2HD1 LEU 89 -18.329 -10.758 -1.102 646 3HD1 LEU 89 3HD1 LEU 89 -16.600 -11.096 -1.024 647 1HD2 LEU 89 1HD2 LEU 89 -15.702 -12.644 0.645 648 2HD2 LEU 89 2HD2 LEU 89 -16.758 -13.364 1.862 649 3HD2 LEU 89 3HD2 LEU 89 -16.359 -11.647 1.945 650 H ALA 90 H ALA 90 -21.384 -13.863 0.969 651 HA ALA 90 HA ALA 90 -20.610 -15.173 -1.420 652 1HB ALA 90 1HB ALA 90 -22.790 -15.937 0.521 653 2HB ALA 90 2HB ALA 90 -21.086 -16.372 0.667 654 3HB ALA 90 3HB ALA 90 -22.041 -16.987 -0.681 655 H LYS 91 H LYS 91 -23.643 -13.634 -0.391 656 HA LYS 91 HA LYS 91 -25.310 -14.457 -2.454 657 1HB LYS 91 2HB LYS 91 -25.312 -11.763 -1.075 658 2HB LYS 91 1HB LYS 91 -26.635 -12.417 -2.026 659 1HG LYS 91 2HG LYS 91 -26.765 -14.301 -0.380 660 2HG LYS 91 1HG LYS 91 -25.593 -13.426 0.606 661 1HD LYS 91 2HD LYS 91 -28.333 -12.459 -0.218 662 2HD LYS 91 1HD LYS 91 -27.829 -12.958 1.398 663 1HE LYS 91 2HE LYS 91 -26.412 -11.084 1.641 664 2HE LYS 91 1HE LYS 91 -26.531 -10.675 -0.071 665 1HZ LYS 91 1HZ LYS 91 -28.852 -10.124 0.260 666 2HZ LYS 91 2HZ LYS 91 -27.887 -9.213 1.305 667 3HZ LYS 91 3HZ LYS 91 -28.758 -10.546 1.899 668 H GLU 92 H GLU 92 -23.061 -11.765 -2.339 669 HA GLU 92 HA GLU 92 -23.884 -10.605 -4.802 670 1HB GLU 92 2HB GLU 92 -21.351 -10.234 -3.196 671 2HB GLU 92 1HB GLU 92 -21.864 -9.206 -4.526 672 1HG GLU 92 2HG GLU 92 -23.252 -9.581 -1.888 673 2HG GLU 92 1HG GLU 92 -22.407 -8.141 -2.453 674 H LEU 93 H LEU 93 -21.560 -13.053 -3.933 675 HA LEU 93 HA LEU 93 -20.253 -12.838 -6.533 676 1HB LEU 93 2HB LEU 93 -19.599 -14.550 -4.139 677 2HB LEU 93 1HB LEU 93 -18.647 -14.460 -5.608 678 HG LEU 93 HG LEU 93 -19.152 -12.147 -3.735 679 1HD1 LEU 93 1HD1 LEU 93 -17.725 -13.806 -2.706 680 2HD1 LEU 93 2HD1 LEU 93 -16.780 -12.390 -3.162 681 3HD1 LEU 93 3HD1 LEU 93 -16.705 -13.854 -4.141 682 1HD2 LEU 93 1HD2 LEU 93 -17.434 -11.005 -5.061 683 2HD2 LEU 93 2HD2 LEU 93 -18.839 -11.425 -6.038 684 3HD2 LEU 93 3HD2 LEU 93 -17.366 -12.386 -6.157 685 H GLY 94 H GLY 94 -22.653 -14.739 -4.972 686 1HA GLY 94 2HA GLY 94 -23.725 -15.956 -7.085 687 2HA GLY 94 1HA GLY 94 -22.313 -16.968 -6.827 688 H TYR 95 H TYR 95 -22.353 -16.768 -3.965 689 HA TYR 95 HA TYR 95 -23.126 -17.895 -2.168 690 1HB TYR 95 2HB TYR 95 -25.015 -16.304 -2.397 691 2HB TYR 95 1HB TYR 95 -25.854 -17.476 -3.404 692 HD1 TYR 95 1HD TYR 95 -27.456 -18.784 -2.381 693 HD2 TYR 95 2HD TYR 95 -24.227 -17.307 -0.039 694 HE1 TYR 95 1HE TYR 95 -28.467 -19.777 -0.370 695 HE2 TYR 95 2HE TYR 95 -25.229 -18.297 1.976 696 HH TYR 95 HH TYR 95 -27.754 -20.548 1.873 697 H SER 96 H SER 96 -22.017 -19.746 -2.982 698 HA SER 96 HA SER 96 -23.862 -21.941 -3.556 699 1HB SER 96 2HB SER 96 -21.218 -21.563 -4.989 700 2HB SER 96 1HB SER 96 -22.396 -22.851 -5.264 701 HG SER 96 HG SER 96 -23.730 -20.623 -5.540 702 H GLY 97 H GLY 97 -23.671 -22.693 -1.460 703 1HA GLY 97 2HA GLY 97 -21.245 -24.133 -0.859 704 2HA GLY 97 1HA GLY 97 -21.563 -22.785 0.222 705 H ASP 98 H ASP 98 -22.333 -26.005 -0.605 706 HA ASP 98 HA ASP 98 -23.942 -26.223 1.814 707 1HB ASP 98 2HB ASP 98 -25.583 -25.822 -0.007 708 2HB ASP 98 1HB ASP 98 -24.962 -27.236 -0.851 709 H MET 99 H MET 99 -23.529 -28.410 -0.939 710 HA MET 99 HA MET 99 -22.652 -30.500 0.877 711 1HB MET 99 2HB MET 99 -22.918 -31.980 -1.061 712 2HB MET 99 1HB MET 99 -24.358 -31.002 -0.806 713 1HG MET 99 2HG MET 99 -23.581 -29.465 -2.576 714 2HG MET 99 1HG MET 99 -22.217 -30.541 -2.869 715 1HE MET 99 1HE MET 99 -22.885 -30.678 -5.446 716 2HE MET 99 2HE MET 99 -24.241 -29.594 -5.140 717 3HE MET 99 3HE MET 99 -24.502 -31.106 -6.009 718 H ASN 100 H ASN 100 -21.093 -28.090 -0.586 719 HA ASN 100 HA ASN 100 -18.842 -29.640 -1.622 720 1HB ASN 100 2HB ASN 100 -18.021 -27.391 -2.397 721 2HB ASN 100 1HB ASN 100 -19.565 -27.884 -3.084 722 1HD2 ASN 100 1HD2 ASN 100 -17.965 -25.703 -0.894 723 2HD2 ASN 100 2HD2 ASN 100 -19.291 -24.608 -0.717 724 H ASP 101 H ASP 101 -19.788 -28.451 1.280 725 HA ASP 101 HA ASP 101 -18.760 -28.120 3.277 726 1HB ASP 101 2HB ASP 101 -17.568 -30.215 2.602 727 2HB ASP 101 1HB ASP 101 -16.295 -29.225 1.901 728 H SER 102 H SER 102 -16.806 -26.949 4.341 729 HA SER 102 HA SER 102 -16.485 -24.364 3.248 730 1HB SER 102 2HB SER 102 -14.744 -25.728 5.323 731 2HB SER 102 1HB SER 102 -14.915 -23.990 5.066 732 HG SER 102 HG SER 102 -17.120 -25.655 5.712 733 H ALA 103 H ALA 103 -14.880 -27.347 2.756 734 HA ALA 103 HA ALA 103 -12.330 -26.665 1.970 735 1HB ALA 103 1HB ALA 103 -13.117 -28.970 2.165 736 2HB ALA 103 2HB ALA 103 -12.358 -28.686 0.598 737 3HB ALA 103 3HB ALA 103 -14.116 -28.755 0.726 738 H SER 104 H SER 104 -15.130 -27.022 -0.230 739 HA SER 104 HA SER 104 -13.670 -25.760 -2.368 740 1HB SER 104 2HB SER 104 -16.604 -26.487 -2.230 741 2HB SER 104 1HB SER 104 -15.676 -26.132 -3.687 742 HG SER 104 HG SER 104 -14.476 -28.068 -2.237 743 H MET 105 H MET 105 -15.962 -24.789 0.062 744 HA MET 105 HA MET 105 -16.958 -22.465 -1.199 745 1HB MET 105 2HB MET 105 -18.085 -23.540 0.703 746 2HB MET 105 1HB MET 105 -16.745 -23.095 1.750 747 1HG MET 105 2HG MET 105 -18.608 -21.601 2.076 748 2HG MET 105 1HG MET 105 -17.244 -20.730 1.374 749 1HE MET 105 1HE MET 105 -18.833 -18.718 0.732 750 2HE MET 105 2HE MET 105 -20.214 -19.569 1.428 751 3HE MET 105 3HE MET 105 -20.320 -18.897 -0.198 752 H ASN 106 H ASN 106 -14.228 -23.016 0.972 753 HA ASN 106 HA ASN 106 -13.547 -20.289 1.324 754 1HB ASN 106 2HB ASN 106 -12.774 -22.126 2.810 755 2HB ASN 106 1HB ASN 106 -11.761 -22.729 1.506 756 1HD2 ASN 106 1HD2 ASN 106 -9.894 -22.497 2.692 757 2HD2 ASN 106 2HD2 ASN 106 -9.196 -20.947 3.033 758 H ILE 107 H ILE 107 -12.687 -22.705 -1.072 759 HA ILE 107 HA ILE 107 -10.587 -21.154 -2.244 760 HB ILE 107 HB ILE 107 -12.040 -23.571 -3.327 761 1HG1 ILE 107 2HG1 ILE 107 -9.362 -23.336 -1.935 762 2HG1 ILE 107 1HG1 ILE 107 -10.834 -23.965 -1.204 763 1HG2 ILE 107 1HG2 ILE 107 -10.129 -23.806 -4.848 764 2HG2 ILE 107 2HG2 ILE 107 -9.465 -22.286 -4.246 765 3HG2 ILE 107 3HG2 ILE 107 -10.996 -22.295 -5.121 766 1HD1 ILE 107 1HD1 ILE 107 -10.849 -25.772 -2.887 767 2HD1 ILE 107 2HD1 ILE 107 -9.420 -25.788 -1.855 768 3HD1 ILE 107 3HD1 ILE 107 -9.309 -25.169 -3.502 769 H TRP 108 H TRP 108 -13.922 -21.962 -3.235 770 HA TRP 108 HA TRP 108 -13.834 -20.598 -5.696 771 1HB TRP 108 2HB TRP 108 -15.548 -22.222 -5.398 772 2HB TRP 108 1HB TRP 108 -16.135 -21.443 -3.931 773 HD1 TRP 108 HD TRP 108 -16.034 -20.834 -7.753 774 HE1 TRP 108 1HE TRP 108 -18.018 -19.314 -8.370 775 HE3 TRP 108 3HE TRP 108 -17.817 -19.891 -3.055 776 HZ2 TRP 108 2HZ TRP 108 -20.070 -17.911 -7.035 777 HZ3 TRP 108 3HZ TRP 108 -19.793 -18.446 -2.811 778 HH2 TRP 108 HH TRP 108 -20.893 -17.476 -4.760 779 H LEU 109 H LEU 109 -15.119 -19.586 -2.540 780 HA LEU 109 HA LEU 109 -16.074 -17.073 -3.350 781 1HB LEU 109 2HB LEU 109 -16.502 -18.358 -1.170 782 2HB LEU 109 1HB LEU 109 -14.984 -17.692 -0.609 783 HG LEU 109 HG LEU 109 -15.943 -15.396 -0.991 784 1HD1 LEU 109 1HD1 LEU 109 -18.363 -15.199 -1.177 785 2HD1 LEU 109 2HD1 LEU 109 -18.499 -16.950 -1.330 786 3HD1 LEU 109 3HD1 LEU 109 -17.681 -16.017 -2.582 787 1HD2 LEU 109 1HD2 LEU 109 -17.394 -17.189 0.949 788 2HD2 LEU 109 2HD2 LEU 109 -17.301 -15.431 1.039 789 3HD2 LEU 109 3HD2 LEU 109 -15.842 -16.402 1.230 790 H HIS 110 H HIS 110 -12.931 -18.159 -2.204 791 HA HIS 110 HA HIS 110 -11.673 -15.675 -1.884 792 1HB HIS 110 2HB HIS 110 -10.771 -17.876 -1.114 793 2HB HIS 110 1HB HIS 110 -10.399 -18.271 -2.787 794 HD1 HIS 110 1HD HIS 110 -8.157 -17.549 -3.625 795 HD2 HIS 110 2HD HIS 110 -9.226 -15.613 -0.110 796 HE1 HIS 110 1HE HIS 110 -6.120 -16.261 -2.921 797 HE2 HIS 110 2HE HIS 110 -6.720 -15.292 -0.673 798 H LYS 111 H LYS 111 -12.078 -17.727 -4.722 799 HA LYS 111 HA LYS 111 -10.379 -16.353 -6.487 800 1HB LYS 111 2HB LYS 111 -12.849 -18.007 -6.992 801 2HB LYS 111 1HB LYS 111 -11.813 -17.401 -8.273 802 1HG LYS 111 2HG LYS 111 -9.987 -18.741 -7.538 803 2HG LYS 111 1HG LYS 111 -10.841 -19.192 -6.060 804 1HD LYS 111 2HD LYS 111 -10.887 -20.984 -7.752 805 2HD LYS 111 1HD LYS 111 -12.502 -20.399 -7.347 806 1HE LYS 111 2HE LYS 111 -12.511 -20.594 -9.682 807 2HE LYS 111 1HE LYS 111 -12.273 -18.875 -9.377 808 1HZ LYS 111 1HZ LYS 111 -9.766 -19.547 -9.545 809 2HZ LYS 111 2HZ LYS 111 -10.682 -19.269 -10.943 810 3HZ LYS 111 3HZ LYS 111 -10.386 -20.858 -10.424 811 H GLN 112 H GLN 112 -13.882 -16.072 -6.004 812 HA GLN 112 HA GLN 112 -14.213 -14.167 -8.056 813 1HB GLN 112 2HB GLN 112 -15.891 -15.771 -6.719 814 2HB GLN 112 1HB GLN 112 -16.202 -14.264 -5.869 815 1HG GLN 112 2HG GLN 112 -17.653 -14.846 -7.897 816 2HG GLN 112 1HG GLN 112 -17.010 -13.207 -7.765 817 1HE2 GLN 112 1HE2 GLN 112 -16.606 -16.313 -9.332 818 2HE2 GLN 112 2HE2 GLN 112 -15.707 -15.727 -10.686 819 H VAL 113 H VAL 113 -13.689 -13.849 -4.585 820 HA VAL 113 HA VAL 113 -14.154 -11.087 -4.372 821 HB VAL 113 HB VAL 113 -12.274 -12.841 -2.778 822 1HG1 VAL 113 1HG1 VAL 113 -13.178 -10.010 -2.259 823 2HG1 VAL 113 2HG1 VAL 113 -11.532 -10.546 -2.596 824 3HG1 VAL 113 3HG1 VAL 113 -12.327 -11.026 -1.095 825 1HG2 VAL 113 1HG2 VAL 113 -14.627 -13.455 -2.588 826 2HG2 VAL 113 2HG2 VAL 113 -15.040 -11.790 -2.182 827 3HG2 VAL 113 3HG2 VAL 113 -14.045 -12.744 -1.082 828 H MET 114 H MET 114 -11.210 -12.897 -5.203 829 HA MET 114 HA MET 114 -9.439 -10.716 -5.269 830 1HB MET 114 2HB MET 114 -9.359 -13.240 -6.934 831 2HB MET 114 1HB MET 114 -8.022 -12.117 -6.730 832 1HG MET 114 2HG MET 114 -7.999 -12.610 -4.328 833 2HG MET 114 1HG MET 114 -9.309 -13.762 -4.564 834 1HE MET 114 1HE MET 114 -8.349 -14.879 -7.487 835 2HE MET 114 2HE MET 114 -9.021 -15.933 -6.239 836 3HE MET 114 3HE MET 114 -7.484 -16.338 -7.000 837 H SER 115 H SER 115 -11.646 -12.007 -7.652 838 HA SER 115 HA SER 115 -10.752 -10.589 -9.908 839 1HB SER 115 2HB SER 115 -12.262 -12.541 -10.012 840 2HB SER 115 1HB SER 115 -13.540 -11.591 -9.255 841 HG SER 115 HG SER 115 -12.389 -10.500 -11.539 842 H LYS 116 H LYS 116 -12.681 -9.639 -7.183 843 HA LYS 116 HA LYS 116 -13.494 -7.137 -8.489 844 1HB LYS 116 2HB LYS 116 -14.375 -8.548 -5.980 845 2HB LYS 116 1HB LYS 116 -14.743 -6.849 -6.234 846 1HG LYS 116 2HG LYS 116 -16.604 -8.336 -6.857 847 2HG LYS 116 1HG LYS 116 -16.022 -7.370 -8.212 848 1HD LYS 116 2HD LYS 116 -14.815 -9.261 -9.095 849 2HD LYS 116 1HD LYS 116 -15.234 -10.230 -7.682 850 1HE LYS 116 2HE LYS 116 -17.462 -10.406 -8.316 851 2HE LYS 116 1HE LYS 116 -17.359 -9.027 -9.414 852 1HZ LYS 116 1HZ LYS 116 -17.427 -11.122 -10.623 853 2HZ LYS 116 2HZ LYS 116 -16.032 -11.655 -9.818 854 3HZ LYS 116 3HZ LYS 116 -15.950 -10.327 -10.870 855 H LEU 117 H LEU 117 -10.937 -8.279 -6.823 856 HA LEU 117 HA LEU 117 -10.603 -5.896 -5.146 857 1HB LEU 117 2HB LEU 117 -10.520 -8.039 -3.977 858 2HB LEU 117 1HB LEU 117 -9.235 -8.585 -5.035 859 HG LEU 117 HG LEU 117 -7.759 -6.824 -4.123 860 1HD1 LEU 117 1HD1 LEU 117 -8.423 -5.577 -2.158 861 2HD1 LEU 117 2HD1 LEU 117 -10.019 -6.325 -2.191 862 3HD1 LEU 117 3HD1 LEU 117 -9.528 -5.237 -3.488 863 1HD2 LEU 117 1HD2 LEU 117 -7.443 -7.854 -1.915 864 2HD2 LEU 117 2HD2 LEU 117 -7.699 -9.061 -3.174 865 3HD2 LEU 117 3HD2 LEU 117 -9.009 -8.647 -2.071 866 H VAL 118 H VAL 118 -8.372 -8.132 -6.810 867 HA VAL 118 HA VAL 118 -6.377 -6.082 -6.939 868 HB VAL 118 HB VAL 118 -4.966 -7.748 -8.038 869 1HG1 VAL 118 1HG1 VAL 118 -6.521 -8.828 -5.691 870 2HG1 VAL 118 2HG1 VAL 118 -5.100 -7.785 -5.626 871 3HG1 VAL 118 3HG1 VAL 118 -4.957 -9.431 -6.239 872 1HG2 VAL 118 1HG2 VAL 118 -6.642 -8.810 -9.449 873 2HG2 VAL 118 2HG2 VAL 118 -7.425 -9.496 -8.026 874 3HG2 VAL 118 3HG2 VAL 118 -5.798 -10.012 -8.472 875 H ALA 119 H ALA 119 -8.969 -6.863 -8.923 876 HA ALA 119 HA ALA 119 -7.818 -6.346 -11.472 877 1HB ALA 119 1HB ALA 119 -9.877 -7.632 -11.200 878 2HB ALA 119 2HB ALA 119 -10.116 -6.254 -12.276 879 3HB ALA 119 3HB ALA 119 -10.705 -6.189 -10.614 880 H ASN 120 H ASN 120 -8.601 -4.325 -8.875 881 HA ASN 120 HA ASN 120 -9.272 -2.001 -10.470 882 1HB ASN 120 2HB ASN 120 -8.711 -2.269 -7.511 883 2HB ASN 120 1HB ASN 120 -9.256 -0.795 -8.300 884 1HD2 ASN 120 1HD2 ASN 120 -10.144 -3.836 -7.018 885 2HD2 ASN 120 2HD2 ASN 120 -11.850 -3.703 -7.280 886 H GLY 121 H GLY 121 -6.474 -3.544 -10.149 887 1HA GLY 121 2HA GLY 121 -4.540 -2.446 -11.164 888 2HA GLY 121 1HA GLY 121 -4.926 -1.026 -10.200 889 H GLY 122 H GLY 122 -5.352 -3.953 -8.560 890 1HA GLY 122 2HA GLY 122 -3.112 -3.366 -6.828 891 2HA GLY 122 1HA GLY 122 -4.329 -4.610 -6.581 892 H LYS 123 H LYS 123 -1.207 -4.342 -6.803 893 HA LYS 123 HA LYS 123 -0.705 -6.536 -8.681 894 1HB LYS 123 2HB LYS 123 0.748 -4.258 -7.973 895 2HB LYS 123 1HB LYS 123 1.585 -5.568 -7.154 896 1HG LYS 123 2HG LYS 123 0.934 -5.562 -10.091 897 2HG LYS 123 1HG LYS 123 2.463 -5.004 -9.417 898 1HD LYS 123 2HD LYS 123 1.436 -7.757 -8.816 899 2HD LYS 123 1HD LYS 123 2.281 -7.424 -10.324 900 1HE LYS 123 2HE LYS 123 3.994 -8.142 -8.950 901 2HE LYS 123 1HE LYS 123 4.103 -6.393 -8.792 902 1HZ LYS 123 1HZ LYS 123 2.908 -6.530 -6.697 903 2HZ LYS 123 2HZ LYS 123 4.281 -7.522 -6.655 904 3HZ LYS 123 3HZ LYS 123 2.756 -8.209 -6.870 905 H LEU 124 H LEU 124 -0.094 -8.543 -8.012 906 HA LEU 124 HA LEU 124 0.401 -8.945 -5.166 907 1HB LEU 124 2HB LEU 124 -0.926 -11.073 -5.236 908 2HB LEU 124 1HB LEU 124 -1.862 -9.604 -5.284 909 HG LEU 124 HG LEU 124 -2.813 -11.366 -6.687 910 1HD1 LEU 124 1HD1 LEU 124 -3.252 -9.076 -7.318 911 2HD1 LEU 124 2HD1 LEU 124 -3.132 -10.105 -8.744 912 3HD1 LEU 124 3HD1 LEU 124 -1.793 -9.045 -8.309 913 1HD2 LEU 124 1HD2 LEU 124 -0.850 -12.579 -7.348 914 2HD2 LEU 124 2HD2 LEU 124 -0.262 -11.198 -8.274 915 3HD2 LEU 124 3HD2 LEU 124 -1.724 -12.044 -8.783 916 HA PRO 125 HA PRO 125 3.693 -11.551 -6.620 917 1HB PRO 125 2HB PRO 125 3.283 -13.382 -4.372 918 2HB PRO 125 1HB PRO 125 4.638 -12.296 -4.688 919 1HG PRO 125 2HG PRO 125 2.876 -11.878 -2.679 920 2HG PRO 125 1HG PRO 125 3.686 -10.553 -3.534 921 1HD PRO 125 2HD PRO 125 0.903 -11.608 -3.872 922 2HD PRO 125 1HD PRO 125 1.479 -9.928 -3.872 923 HA PRO 126 HA PRO 126 1.836 -14.931 -8.776 924 1HB PRO 126 2HB PRO 126 4.334 -16.461 -8.535 925 2HB PRO 126 1HB PRO 126 3.554 -15.804 -9.975 926 1HG PRO 126 2HG PRO 126 5.826 -14.757 -9.004 927 2HG PRO 126 1HG PRO 126 4.575 -13.744 -9.750 928 1HD PRO 126 2HD PRO 126 5.159 -14.205 -6.846 929 2HD PRO 126 1HD PRO 126 4.780 -12.688 -7.691 930 H GLU 127 H GLU 127 1.633 -15.027 -5.814 931 HA GLU 127 HA GLU 127 1.590 -17.938 -5.383 932 1HB GLU 127 2HB GLU 127 1.158 -15.797 -3.299 933 2HB GLU 127 1HB GLU 127 1.517 -17.495 -3.036 934 1HG GLU 127 2HG GLU 127 3.772 -17.147 -3.933 935 2HG GLU 127 1HG GLU 127 3.403 -15.437 -4.166 936 H ILE 128 H ILE 128 -0.349 -15.071 -5.716 937 HA ILE 128 HA ILE 128 -2.677 -16.507 -4.641 938 HB ILE 128 HB ILE 128 -2.367 -13.508 -4.826 939 1HG1 ILE 128 2HG1 ILE 128 -2.357 -13.856 -2.209 940 2HG1 ILE 128 1HG1 ILE 128 -1.716 -15.440 -2.631 941 1HG2 ILE 128 1HG2 ILE 128 -4.663 -14.293 -4.887 942 2HG2 ILE 128 2HG2 ILE 128 -4.325 -13.475 -3.362 943 3HG2 ILE 128 3HG2 ILE 128 -4.396 -15.237 -3.422 944 1HD1 ILE 128 1HD1 ILE 128 -0.519 -12.780 -3.355 945 2HD1 ILE 128 2HD1 ILE 128 0.121 -14.349 -3.841 946 3HD1 ILE 128 3HD1 ILE 128 0.076 -13.903 -2.134 947 H LYS 129 H LYS 129 -3.052 -17.459 -6.701 948 HA LYS 129 HA LYS 129 -5.324 -16.413 -7.825 949 1HB LYS 129 2HB LYS 129 -3.353 -14.933 -8.932 950 2HB LYS 129 1HB LYS 129 -3.369 -16.290 -10.056 951 1HG LYS 129 2HG LYS 129 -5.945 -15.892 -10.061 952 2HG LYS 129 1HG LYS 129 -5.506 -14.292 -9.470 953 1HD LYS 129 2HD LYS 129 -5.689 -14.131 -11.830 954 2HD LYS 129 1HD LYS 129 -3.966 -14.103 -11.450 955 1HE LYS 129 2HE LYS 129 -3.667 -16.328 -12.159 956 2HE LYS 129 1HE LYS 129 -5.401 -16.644 -12.160 957 1HZ LYS 129 1HZ LYS 129 -3.963 -14.839 -14.030 958 2HZ LYS 129 2HZ LYS 129 -5.635 -15.112 -14.020 959 3HZ LYS 129 3HZ LYS 129 -4.574 -16.378 -14.399 960 H HIS 130 H HIS 130 -6.366 -18.171 -8.432 961 HA HIS 130 HA HIS 130 -5.119 -20.044 -10.244 962 1HB HIS 130 2HB HIS 130 -4.646 -20.916 -7.897 963 2HB HIS 130 1HB HIS 130 -6.386 -21.119 -7.713 964 HD1 HIS 130 1HD HIS 130 -3.901 -23.313 -7.964 965 HD2 HIS 130 2HD HIS 130 -6.996 -22.533 -10.638 966 HE1 HIS 130 1HE HIS 130 -4.139 -25.392 -9.359 967 HE2 HIS 130 2HE HIS 130 -5.930 -24.849 -11.049 Start of MODEL 6 1 1H MET 1 1HT MET 1 -23.198 -6.571 1.837 2 2H MET 1 2HT MET 1 -23.970 -6.341 0.337 3 3H MET 1 3HT MET 1 -24.688 -5.759 1.764 4 HA MET 1 HA MET 1 -23.678 -3.990 0.471 5 1HB MET 1 2HB MET 1 -23.824 -3.890 2.962 6 2HB MET 1 1HB MET 1 -22.194 -4.544 3.050 7 1HG MET 1 2HG MET 1 -21.356 -2.589 1.840 8 2HG MET 1 1HG MET 1 -22.991 -1.933 1.783 9 1HE MET 1 1HE MET 1 -22.123 0.339 2.863 10 2HE MET 1 2HE MET 1 -20.492 -0.331 2.875 11 3HE MET 1 3HE MET 1 -21.151 0.407 4.334 12 H SER 2 H SER 2 -21.857 -6.814 0.790 13 HA SER 2 HA SER 2 -20.276 -7.612 -0.621 14 1HB SER 2 2HB SER 2 -19.956 -4.783 -1.645 15 2HB SER 2 1HB SER 2 -19.255 -6.232 -2.365 16 HG SER 2 HG SER 2 -21.988 -6.346 -1.965 17 H ILE 3 H ILE 3 -18.956 -8.251 0.955 18 HA ILE 3 HA ILE 3 -17.385 -6.497 2.513 19 HB ILE 3 HB ILE 3 -16.944 -9.450 2.108 20 1HG1 ILE 3 2HG1 ILE 3 -18.783 -7.919 3.954 21 2HG1 ILE 3 1HG1 ILE 3 -19.186 -9.221 2.843 22 1HG2 ILE 3 1HG2 ILE 3 -16.095 -7.573 4.316 23 2HG2 ILE 3 2HG2 ILE 3 -15.044 -8.352 3.131 24 3HG2 ILE 3 3HG2 ILE 3 -15.892 -9.325 4.332 25 1HD1 ILE 3 1HD1 ILE 3 -17.967 -10.799 4.253 26 2HD1 ILE 3 2HD1 ILE 3 -19.256 -9.982 5.134 27 3HD1 ILE 3 3HD1 ILE 3 -17.579 -9.491 5.373 28 H PHE 4 H PHE 4 -16.832 -8.080 -0.541 29 HA PHE 4 HA PHE 4 -14.043 -7.711 -0.640 30 1HB PHE 4 2HB PHE 4 -14.297 -7.827 -3.121 31 2HB PHE 4 1HB PHE 4 -15.052 -9.161 -2.265 32 HD1 PHE 4 1HD PHE 4 -17.366 -9.587 -2.463 33 HD2 PHE 4 2HD PHE 4 -15.712 -6.025 -4.102 34 HE1 PHE 4 1HE PHE 4 -19.462 -9.178 -3.684 35 HE2 PHE 4 2HE PHE 4 -17.806 -5.609 -5.319 36 HZ PHE 4 HZ PHE 4 -19.686 -7.186 -5.111 37 H GLY 5 H GLY 5 -16.705 -5.539 -1.017 38 1HA GLY 5 2HA GLY 5 -15.043 -3.385 -2.027 39 2HA GLY 5 1HA GLY 5 -16.750 -3.280 -1.611 40 H LYS 6 H LYS 6 -16.256 -4.567 1.004 41 HA LYS 6 HA LYS 6 -15.852 -2.217 2.540 42 1HB LYS 6 2HB LYS 6 -16.062 -5.140 3.288 43 2HB LYS 6 1HB LYS 6 -15.885 -3.862 4.481 44 1HG LYS 6 2HG LYS 6 -17.999 -2.945 3.953 45 2HG LYS 6 1HG LYS 6 -18.137 -3.921 2.487 46 1HD LYS 6 2HD LYS 6 -18.379 -5.929 3.768 47 2HD LYS 6 1HD LYS 6 -17.998 -5.085 5.269 48 1HE LYS 6 2HE LYS 6 -20.348 -4.333 3.561 49 2HE LYS 6 1HE LYS 6 -20.454 -5.607 4.772 50 1HZ LYS 6 1HZ LYS 6 -19.526 -2.867 5.430 51 2HZ LYS 6 2HZ LYS 6 -20.043 -4.088 6.495 52 3HZ LYS 6 3HZ LYS 6 -21.159 -3.316 5.485 53 H ILE 7 H ILE 7 -13.871 -5.005 1.703 54 HA ILE 7 HA ILE 7 -11.763 -4.236 3.480 55 HB ILE 7 HB ILE 7 -10.472 -6.082 2.460 56 1HG1 ILE 7 2HG1 ILE 7 -12.979 -6.561 0.829 57 2HG1 ILE 7 1HG1 ILE 7 -11.476 -5.915 0.183 58 1HG2 ILE 7 1HG2 ILE 7 -13.274 -6.819 3.297 59 2HG2 ILE 7 2HG2 ILE 7 -11.930 -6.470 4.387 60 3HG2 ILE 7 3HG2 ILE 7 -11.867 -7.882 3.329 61 1HD1 ILE 7 1HD1 ILE 7 -11.858 -8.643 1.393 62 2HD1 ILE 7 2HD1 ILE 7 -10.338 -7.998 0.767 63 3HD1 ILE 7 3HD1 ILE 7 -11.698 -8.269 -0.323 64 H MET 8 H MET 8 -12.370 -3.968 0.013 65 HA MET 8 HA MET 8 -9.727 -3.184 -0.659 66 1HB MET 8 2HB MET 8 -10.575 -2.663 -2.851 67 2HB MET 8 1HB MET 8 -11.324 -4.149 -2.299 68 1HG MET 8 2HG MET 8 -13.064 -3.006 -3.296 69 2HG MET 8 1HG MET 8 -13.285 -2.656 -1.583 70 1HE MET 8 1HE MET 8 -14.888 -0.630 -2.148 71 2HE MET 8 2HE MET 8 -14.711 -0.985 -3.866 72 3HE MET 8 3HE MET 8 -14.477 0.660 -3.278 73 H SER 9 H SER 9 -12.279 -1.561 0.839 74 HA SER 9 HA SER 9 -11.895 1.063 -0.093 75 1HB SER 9 2HB SER 9 -13.854 0.175 1.266 76 2HB SER 9 1HB SER 9 -12.815 0.295 2.684 77 HG SER 9 HG SER 9 -13.764 2.371 1.006 78 H ALA 10 H ALA 10 -10.236 -0.881 2.287 79 HA ALA 10 HA ALA 10 -8.624 1.370 3.199 80 1HB ALA 10 1HB ALA 10 -7.635 -0.230 4.760 81 2HB ALA 10 2HB ALA 10 -8.542 -1.538 4.000 82 3HB ALA 10 3HB ALA 10 -9.396 -0.252 4.853 83 H ILE 11 H ILE 11 -8.333 -1.590 1.324 84 HA ILE 11 HA ILE 11 -5.548 -1.593 0.981 85 HB ILE 11 HB ILE 11 -7.659 -2.645 -0.910 86 1HG1 ILE 11 2HG1 ILE 11 -6.174 -4.037 1.336 87 2HG1 ILE 11 1HG1 ILE 11 -7.870 -3.551 1.372 88 1HG2 ILE 11 1HG2 ILE 11 -5.899 -4.157 -1.707 89 2HG2 ILE 11 2HG2 ILE 11 -4.734 -3.347 -0.662 90 3HG2 ILE 11 3HG2 ILE 11 -5.488 -2.467 -1.991 91 1HD1 ILE 11 1HD1 ILE 11 -6.658 -5.563 -0.511 92 2HD1 ILE 11 2HD1 ILE 11 -8.358 -5.094 -0.441 93 3HD1 ILE 11 3HD1 ILE 11 -7.617 -5.930 0.925 94 H PHE 12 H PHE 12 -8.137 -0.176 -0.993 95 HA PHE 12 HA PHE 12 -6.128 1.163 -2.660 96 1HB PHE 12 2HB PHE 12 -9.127 0.873 -2.974 97 2HB PHE 12 1HB PHE 12 -8.099 1.778 -4.078 98 HD1 PHE 12 1HD PHE 12 -6.739 0.674 -5.691 99 HD2 PHE 12 2HD PHE 12 -8.951 -1.581 -2.838 100 HE1 PHE 12 1HE PHE 12 -6.318 -1.374 -6.986 101 HE2 PHE 12 2HE PHE 12 -8.531 -3.631 -4.126 102 HZ PHE 12 HZ PHE 12 -7.212 -3.530 -6.204 103 H GLY 13 H GLY 13 -7.062 1.799 0.192 104 1HA GLY 13 2HA GLY 13 -7.826 4.608 -0.306 105 2HA GLY 13 1HA GLY 13 -8.401 3.685 1.076 106 H ASP 14 H ASP 14 -5.132 3.222 0.085 107 HA ASP 14 HA ASP 14 -4.177 5.173 2.054 108 1HB ASP 14 2HB ASP 14 -4.274 2.913 3.142 109 2HB ASP 14 1HB ASP 14 -3.136 2.331 1.930 110 H SER 15 H SER 15 -2.183 6.052 1.608 111 HA SER 15 HA SER 15 -0.625 5.017 -0.613 112 1HB SER 15 2HB SER 15 -0.534 7.515 -1.445 113 2HB SER 15 1HB SER 15 -1.871 6.472 -1.926 114 HG SER 15 HG SER 15 -3.063 7.994 -1.106 115 H ALA 16 H ALA 16 -0.211 5.175 2.261 116 HA ALA 16 HA ALA 16 2.299 6.616 2.256 117 1HB ALA 16 1HB ALA 16 1.817 8.036 4.151 118 2HB ALA 16 2HB ALA 16 0.169 7.413 4.225 119 3HB ALA 16 3HB ALA 16 0.685 8.372 2.838 120 H ALA 17 H ALA 17 -0.007 4.582 3.969 121 HA ALA 17 HA ALA 17 2.040 3.925 5.965 122 1HB ALA 17 1HB ALA 17 0.238 2.992 7.288 123 2HB ALA 17 2HB ALA 17 -0.902 3.275 5.974 124 3HB ALA 17 3HB ALA 17 -0.151 4.640 6.799 125 H ALA 18 H ALA 18 -0.226 2.344 3.726 126 HA ALA 18 HA ALA 18 1.033 -0.242 4.323 127 1HB ALA 18 1HB ALA 18 -0.875 -1.238 3.206 128 2HB ALA 18 2HB ALA 18 -1.447 0.357 2.715 129 3HB ALA 18 3HB ALA 18 -1.418 -0.081 4.424 130 H SER 19 H SER 19 1.625 2.195 2.283 131 HA SER 19 HA SER 19 1.819 0.894 -0.235 132 1HB SER 19 2HB SER 19 3.252 3.374 0.747 133 2HB SER 19 1HB SER 19 3.045 2.885 -0.936 134 HG SER 19 HG SER 19 0.661 2.904 0.267 135 HA PRO 20 HA PRO 20 5.461 -1.498 0.494 136 1HB PRO 20 2HB PRO 20 6.151 -1.955 -2.109 137 2HB PRO 20 1HB PRO 20 4.848 -2.811 -1.277 138 1HG PRO 20 2HG PRO 20 4.695 -0.490 -3.155 139 2HG PRO 20 1HG PRO 20 3.653 -1.921 -3.054 140 1HD PRO 20 2HD PRO 20 2.926 0.476 -2.034 141 2HD PRO 20 1HD PRO 20 2.429 -1.061 -1.298 142 H GLY 21 H GLY 21 7.015 -0.209 1.369 143 1HA GLY 21 2HA GLY 21 8.803 1.132 -0.555 144 2HA GLY 21 1HA GLY 21 8.358 1.910 0.961 145 H GLY 22 H GLY 22 11.005 1.138 -0.011 146 1HA GLY 22 2HA GLY 22 11.839 -1.199 1.418 147 2HA GLY 22 1HA GLY 22 12.883 -0.028 0.631 148 H ALA 23 H ALA 23 10.850 -0.446 3.508 149 HA ALA 23 HA ALA 23 12.825 1.145 5.014 150 1HB ALA 23 1HB ALA 23 10.614 2.189 4.975 151 2HB ALA 23 2HB ALA 23 11.048 1.667 6.602 152 3HB ALA 23 3HB ALA 23 9.906 0.720 5.650 153 H GLN 24 H GLN 24 14.191 -0.296 5.883 154 HA GLN 24 HA GLN 24 13.019 -2.522 7.420 155 1HB GLN 24 2HB GLN 24 15.618 -2.551 5.867 156 2HB GLN 24 1HB GLN 24 15.014 -3.864 6.868 157 1HG GLN 24 2HG GLN 24 13.090 -4.105 5.386 158 2HG GLN 24 1HG GLN 24 13.705 -2.793 4.380 159 1HE2 GLN 24 1HE2 GLN 24 15.530 -3.141 3.110 160 2HE2 GLN 24 2HE2 GLN 24 16.127 -4.726 2.762 161 H ALA 25 H ALA 25 14.094 -3.076 9.346 162 HA ALA 25 HA ALA 25 15.533 -0.918 10.607 163 1HB ALA 25 1HB ALA 25 15.435 -2.308 12.618 164 2HB ALA 25 2HB ALA 25 14.810 -3.653 11.663 165 3HB ALA 25 3HB ALA 25 13.848 -2.188 11.858 166 HA PRO 26 HA PRO 26 19.609 -2.346 9.670 167 1HB PRO 26 2HB PRO 26 20.444 -1.281 12.288 168 2HB PRO 26 1HB PRO 26 20.946 -0.796 10.665 169 1HG PRO 26 2HG PRO 26 19.356 0.758 12.172 170 2HG PRO 26 1HG PRO 26 19.175 0.665 10.409 171 1HD PRO 26 2HD PRO 26 17.558 -0.660 12.554 172 2HD PRO 26 1HD PRO 26 17.018 0.101 11.042 173 H ALA 27 H ALA 27 21.352 -3.693 10.548 174 HA ALA 27 HA ALA 27 20.315 -6.056 11.690 175 1HB ALA 27 1HB ALA 27 23.190 -5.236 11.299 176 2HB ALA 27 2HB ALA 27 22.180 -6.064 10.114 177 3HB ALA 27 3HB ALA 27 22.615 -6.870 11.622 178 H THR 28 H THR 28 19.987 -6.578 13.719 179 HA THR 28 HA THR 28 20.296 -6.878 15.955 180 HB THR 28 HB THR 28 22.787 -5.183 15.740 181 HG1 THR 28 1HG THR 28 22.679 -7.113 14.345 182 1HG2 THR 28 1HG2 THR 28 21.951 -7.267 17.764 183 2HG2 THR 28 2HG2 THR 28 21.979 -5.524 18.032 184 3HG2 THR 28 3HG2 THR 28 23.486 -6.396 17.747 185 H THR 29 H THR 29 20.873 -3.583 14.819 186 HA THR 29 HA THR 29 19.983 -2.424 17.307 187 HB THR 29 HB THR 29 20.147 -0.272 15.817 188 HG1 THR 29 1HG THR 29 22.010 -1.752 14.349 189 1HG2 THR 29 1HG2 THR 29 21.685 -0.819 17.631 190 2HG2 THR 29 2HG2 THR 29 22.564 -0.177 16.244 191 3HG2 THR 29 3HG2 THR 29 22.572 -1.911 16.565 192 H GLY 30 H GLY 30 17.881 -3.436 17.300 193 1HA GLY 30 2HA GLY 30 15.922 -2.985 15.325 194 2HA GLY 30 1HA GLY 30 15.613 -3.463 16.987 195 H ALA 31 H ALA 31 15.148 -1.113 14.717 196 HA ALA 31 HA ALA 31 14.083 0.880 14.736 197 1HB ALA 31 1HB ALA 31 12.577 -0.182 16.344 198 2HB ALA 31 2HB ALA 31 12.778 1.539 16.672 199 3HB ALA 31 3HB ALA 31 13.618 0.348 17.664 200 H ALA 32 H ALA 32 17.005 0.456 15.802 201 HA ALA 32 HA ALA 32 17.386 2.987 17.188 202 1HB ALA 32 1HB ALA 32 19.397 0.905 16.343 203 2HB ALA 32 2HB ALA 32 18.643 1.036 17.931 204 3HB ALA 32 3HB ALA 32 19.726 2.307 17.362 205 H GLY 33 H GLY 33 17.193 1.916 14.032 206 1HA GLY 33 2HA GLY 33 19.120 3.793 12.935 207 2HA GLY 33 1HA GLY 33 18.103 2.688 12.021 208 H THR 34 H THR 34 18.596 5.860 12.910 209 HA THR 34 HA THR 34 15.990 6.898 13.028 210 HB THR 34 HB THR 34 17.072 9.065 12.347 211 HG1 THR 34 1HG THR 34 18.842 7.577 11.258 212 1HG2 THR 34 1HG2 THR 34 18.445 9.268 14.371 213 2HG2 THR 34 2HG2 THR 34 18.444 7.512 14.549 214 3HG2 THR 34 3HG2 THR 34 16.937 8.418 14.701 215 H ALA 35 H ALA 35 14.513 7.369 11.513 216 HA ALA 35 HA ALA 35 15.298 7.606 8.716 217 1HB ALA 35 1HB ALA 35 14.864 5.209 9.005 218 2HB ALA 35 2HB ALA 35 13.667 5.960 7.950 219 3HB ALA 35 3HB ALA 35 13.255 5.577 9.621 220 HA PRO 36 HA PRO 36 12.065 10.644 9.331 221 1HB PRO 36 2HB PRO 36 12.575 12.100 7.132 222 2HB PRO 36 1HB PRO 36 13.627 12.156 8.551 223 1HG PRO 36 2HG PRO 36 14.000 10.709 5.967 224 2HG PRO 36 1HG PRO 36 15.198 11.554 6.962 225 1HD PRO 36 2HD PRO 36 14.810 8.815 6.934 226 2HD PRO 36 1HD PRO 36 15.575 9.716 8.258 227 H THR 37 H THR 37 9.965 10.368 8.832 228 HA THR 37 HA THR 37 9.268 8.844 6.464 229 HB THR 37 HB THR 37 7.465 9.957 8.630 230 HG1 THR 37 1HG THR 37 8.849 8.328 9.430 231 1HG2 THR 37 1HG2 THR 37 6.283 9.574 6.507 232 2HG2 THR 37 2HG2 THR 37 5.789 8.409 7.736 233 3HG2 THR 37 3HG2 THR 37 6.908 7.926 6.462 234 H ALA 38 H ALA 38 9.820 10.276 4.834 235 HA ALA 38 HA ALA 38 7.776 12.316 4.354 236 1HB ALA 38 1HB ALA 38 9.785 13.503 5.144 237 2HB ALA 38 2HB ALA 38 9.418 13.881 3.462 238 3HB ALA 38 3HB ALA 38 10.724 12.759 3.847 239 HA PRO 39 HA PRO 39 8.250 9.441 0.827 240 1HB PRO 39 2HB PRO 39 5.631 9.053 0.359 241 2HB PRO 39 1HB PRO 39 6.486 8.207 1.653 242 1HG PRO 39 2HG PRO 39 4.684 10.586 1.810 243 2HG PRO 39 1HG PRO 39 4.799 9.193 2.898 244 1HD PRO 39 2HD PRO 39 5.952 11.645 3.386 245 2HD PRO 39 1HD PRO 39 6.520 10.117 4.086 246 H GLN 40 H GLN 40 6.502 12.416 1.197 247 HA GLN 40 HA GLN 40 5.635 13.958 -0.220 248 1HB GLN 40 2HB GLN 40 8.021 13.102 -1.868 249 2HB GLN 40 1HB GLN 40 7.077 14.560 -2.148 250 1HG GLN 40 2HG GLN 40 7.671 15.302 0.157 251 2HG GLN 40 1HG GLN 40 8.743 13.909 0.271 252 1HE2 GLN 40 1HE2 GLN 40 9.329 16.774 0.382 253 2HE2 GLN 40 2HE2 GLN 40 10.487 17.080 -0.876 254 HA PRO 41 HA PRO 41 3.347 10.701 -2.563 255 1HB PRO 41 2HB PRO 41 1.097 12.486 -1.856 256 2HB PRO 41 1HB PRO 41 1.260 10.740 -1.643 257 1HG PRO 41 2HG PRO 41 1.396 12.404 0.441 258 2HG PRO 41 1HG PRO 41 2.418 10.957 0.347 259 1HD PRO 41 2HD PRO 41 3.126 13.816 -0.192 260 2HD PRO 41 1HD PRO 41 4.064 12.562 0.646 261 H THR 42 H THR 42 4.044 11.196 -4.596 262 HA THR 42 HA THR 42 2.315 12.988 -6.103 263 HB THR 42 HB THR 42 5.307 13.220 -6.472 264 HG1 THR 42 1HG THR 42 3.655 14.372 -4.547 265 1HG2 THR 42 1HG2 THR 42 3.900 13.981 -8.330 266 2HG2 THR 42 2HG2 THR 42 4.704 15.343 -7.552 267 3HG2 THR 42 3HG2 THR 42 3.001 15.025 -7.227 268 H ALA 43 H ALA 43 3.086 10.057 -5.730 269 HA ALA 43 HA ALA 43 3.024 9.350 -8.521 270 1HB ALA 43 1HB ALA 43 4.967 7.870 -8.438 271 2HB ALA 43 2HB ALA 43 5.328 8.425 -6.803 272 3HB ALA 43 3HB ALA 43 5.432 9.548 -8.159 273 H ALA 44 H ALA 44 2.253 7.255 -8.864 274 HA ALA 44 HA ALA 44 1.882 5.373 -6.759 275 1HB ALA 44 1HB ALA 44 -0.594 6.802 -7.733 276 2HB ALA 44 2HB ALA 44 0.121 6.974 -6.131 277 3HB ALA 44 3HB ALA 44 -0.548 5.423 -6.635 278 HA PRO 45 HA PRO 45 1.996 3.692 -10.992 279 1HB PRO 45 2HB PRO 45 3.387 1.456 -10.351 280 2HB PRO 45 1HB PRO 45 4.158 3.016 -10.635 281 1HG PRO 45 2HG PRO 45 3.492 1.667 -8.052 282 2HG PRO 45 1HG PRO 45 4.943 2.586 -8.497 283 1HD PRO 45 2HD PRO 45 2.907 3.619 -7.004 284 2HD PRO 45 1HD PRO 45 3.945 4.605 -8.051 285 H SER 46 H SER 46 1.657 1.405 -8.255 286 HA SER 46 HA SER 46 -0.950 0.577 -9.196 287 1HB SER 46 2HB SER 46 1.307 -1.443 -9.038 288 2HB SER 46 1HB SER 46 -0.368 -1.768 -9.489 289 HG SER 46 HG SER 46 0.289 0.063 -11.138 290 H ILE 47 H ILE 47 -1.957 -0.978 -7.669 291 HA ILE 47 HA ILE 47 -1.106 -0.366 -4.943 292 HB ILE 47 HB ILE 47 -3.631 -1.667 -5.979 293 1HG1 ILE 47 2HG1 ILE 47 -3.475 0.719 -6.504 294 2HG1 ILE 47 1HG1 ILE 47 -4.718 0.427 -5.291 295 1HG2 ILE 47 1HG2 ILE 47 -3.054 -2.522 -3.775 296 2HG2 ILE 47 2HG2 ILE 47 -4.479 -1.484 -3.700 297 3HG2 ILE 47 3HG2 ILE 47 -2.912 -0.873 -3.162 298 1HD1 ILE 47 1HD1 ILE 47 -3.204 1.182 -3.544 299 2HD1 ILE 47 2HD1 ILE 47 -3.407 2.416 -4.788 300 3HD1 ILE 47 3HD1 ILE 47 -1.939 1.441 -4.743 301 H ASP 48 H ASP 48 0.506 -1.731 -4.363 302 HA ASP 48 HA ASP 48 0.500 -4.503 -5.141 303 1HB ASP 48 2HB ASP 48 2.536 -2.908 -4.660 304 2HB ASP 48 1HB ASP 48 2.284 -3.411 -2.993 305 H VAL 49 H VAL 49 -0.967 -5.785 -4.222 306 HA VAL 49 HA VAL 49 -2.153 -5.096 -1.702 307 HB VAL 49 HB VAL 49 -2.612 -7.590 -3.351 308 1HG1 VAL 49 1HG1 VAL 49 -4.787 -7.645 -2.227 309 2HG1 VAL 49 2HG1 VAL 49 -4.323 -6.239 -1.266 310 3HG1 VAL 49 3HG1 VAL 49 -3.457 -7.764 -1.076 311 1HG2 VAL 49 1HG2 VAL 49 -2.988 -5.592 -4.699 312 2HG2 VAL 49 2HG2 VAL 49 -4.050 -4.937 -3.452 313 3HG2 VAL 49 3HG2 VAL 49 -4.513 -6.397 -4.329 314 H ALA 50 H ALA 50 0.436 -7.108 -2.685 315 HA ALA 50 HA ALA 50 0.218 -9.196 -0.828 316 1HB ALA 50 1HB ALA 50 2.517 -9.730 -1.349 317 2HB ALA 50 2HB ALA 50 2.741 -8.151 -2.100 318 3HB ALA 50 3HB ALA 50 1.637 -9.322 -2.820 319 HA PRO 51 HA PRO 51 3.318 -6.872 2.060 320 1HB PRO 51 2HB PRO 51 3.576 -4.177 1.716 321 2HB PRO 51 1HB PRO 51 4.667 -5.364 0.991 322 1HG PRO 51 2HG PRO 51 2.334 -3.944 -0.230 323 2HG PRO 51 1HG PRO 51 3.937 -4.264 -0.921 324 1HD PRO 51 2HD PRO 51 1.793 -5.750 -1.564 325 2HD PRO 51 1HD PRO 51 3.416 -6.458 -1.432 326 H ILE 52 H ILE 52 0.483 -5.184 0.847 327 HA ILE 52 HA ILE 52 -0.153 -3.759 3.187 328 HB ILE 52 HB ILE 52 -2.005 -4.768 1.017 329 1HG1 ILE 52 2HG1 ILE 52 -0.650 -2.099 1.460 330 2HG1 ILE 52 1HG1 ILE 52 -0.321 -3.240 0.164 331 1HG2 ILE 52 1HG2 ILE 52 -3.599 -3.086 1.828 332 2HG2 ILE 52 2HG2 ILE 52 -2.509 -2.706 3.163 333 3HG2 ILE 52 3HG2 ILE 52 -3.252 -4.302 3.059 334 1HD1 ILE 52 1HD1 ILE 52 -2.568 -2.876 -0.728 335 2HD1 ILE 52 2HD1 ILE 52 -1.646 -1.375 -0.635 336 3HD1 ILE 52 3HD1 ILE 52 -2.887 -1.722 0.568 337 H LEU 53 H LEU 53 -1.398 -6.889 1.984 338 HA LEU 53 HA LEU 53 -2.886 -7.295 4.410 339 1HB LEU 53 2HB LEU 53 -2.542 -8.769 1.860 340 2HB LEU 53 1HB LEU 53 -3.024 -9.707 3.259 341 HG LEU 53 HG LEU 53 -5.006 -8.310 3.546 342 1HD1 LEU 53 1HD1 LEU 53 -5.625 -6.635 1.905 343 2HD1 LEU 53 2HD1 LEU 53 -4.099 -6.880 1.058 344 3HD1 LEU 53 3HD1 LEU 53 -4.103 -6.209 2.688 345 1HD2 LEU 53 1HD2 LEU 53 -4.673 -9.336 0.731 346 2HD2 LEU 53 2HD2 LEU 53 -6.208 -8.993 1.527 347 3HD2 LEU 53 3HD2 LEU 53 -5.169 -10.281 2.134 348 H ASP 54 H ASP 54 0.211 -8.343 3.148 349 HA ASP 54 HA ASP 54 0.750 -10.454 4.906 350 1HB ASP 54 2HB ASP 54 2.172 -9.906 2.973 351 2HB ASP 54 1HB ASP 54 2.683 -8.422 3.766 352 H LYS 55 H LYS 55 1.442 -6.977 5.265 353 HA LYS 55 HA LYS 55 2.384 -7.346 7.960 354 1HB LYS 55 2HB LYS 55 2.106 -5.044 6.105 355 2HB LYS 55 1HB LYS 55 2.128 -4.694 7.827 356 1HG LYS 55 2HG LYS 55 4.334 -4.821 7.820 357 2HG LYS 55 1HG LYS 55 4.235 -6.507 7.311 358 1HD LYS 55 2HD LYS 55 3.929 -4.355 5.269 359 2HD LYS 55 1HD LYS 55 5.540 -4.733 5.880 360 1HE LYS 55 2HE LYS 55 3.639 -6.759 4.707 361 2HE LYS 55 1HE LYS 55 4.933 -5.964 3.809 362 1HZ LYS 55 1HZ LYS 55 5.727 -8.059 4.528 363 2HZ LYS 55 2HZ LYS 55 5.210 -7.804 6.116 364 3HZ LYS 55 3HZ LYS 55 6.498 -6.893 5.491 365 H ALA 56 H ALA 56 -0.639 -6.496 6.421 366 HA ALA 56 HA ALA 56 -1.964 -5.349 8.618 367 1HB ALA 56 1HB ALA 56 -2.866 -5.284 6.338 368 2HB ALA 56 2HB ALA 56 -4.040 -5.933 7.482 369 3HB ALA 56 3HB ALA 56 -3.163 -7.020 6.408 370 H VAL 57 H VAL 57 -1.459 -8.697 7.669 371 HA VAL 57 HA VAL 57 -3.104 -9.961 9.556 372 HB VAL 57 HB VAL 57 -0.541 -10.829 8.213 373 1HG1 VAL 57 1HG1 VAL 57 -2.316 -12.508 9.984 374 2HG1 VAL 57 2HG1 VAL 57 -0.686 -11.966 10.380 375 3HG1 VAL 57 3HG1 VAL 57 -0.941 -13.084 9.042 376 1HG2 VAL 57 1HG2 VAL 57 -2.057 -12.306 6.965 377 2HG2 VAL 57 2HG2 VAL 57 -2.492 -10.607 6.779 378 3HG2 VAL 57 3HG2 VAL 57 -3.425 -11.643 7.860 379 H LYS 58 H LYS 58 0.297 -9.036 9.724 380 HA LYS 58 HA LYS 58 0.806 -10.030 12.311 381 1HB LYS 58 2HB LYS 58 2.192 -7.781 10.831 382 2HB LYS 58 1HB LYS 58 2.851 -8.688 12.185 383 1HG LYS 58 2HG LYS 58 3.090 -10.638 10.905 384 2HG LYS 58 1HG LYS 58 2.048 -10.019 9.625 385 1HD LYS 58 2HD LYS 58 4.248 -9.861 8.796 386 2HD LYS 58 1HD LYS 58 3.784 -8.225 9.249 387 1HE LYS 58 2HE LYS 58 5.424 -10.068 10.989 388 2HE LYS 58 1HE LYS 58 6.108 -8.865 9.900 389 1HZ LYS 58 1HZ LYS 58 4.433 -8.388 12.295 390 2HZ LYS 58 2HZ LYS 58 4.791 -7.177 11.165 391 3HZ LYS 58 3HZ LYS 58 6.036 -7.909 12.047 392 H ALA 59 H ALA 59 -0.422 -6.974 11.128 393 HA ALA 59 HA ALA 59 -0.255 -5.762 13.769 394 1HB ALA 59 1HB ALA 59 -1.231 -4.645 11.144 395 2HB ALA 59 2HB ALA 59 0.360 -4.391 11.864 396 3HB ALA 59 3HB ALA 59 -1.080 -3.736 12.645 397 H LYS 60 H LYS 60 -2.373 -7.811 12.274 398 HA LYS 60 HA LYS 60 -4.813 -6.508 13.111 399 1HB LYS 60 2HB LYS 60 -4.644 -8.024 11.085 400 2HB LYS 60 1HB LYS 60 -4.523 -9.373 12.208 401 1HG LYS 60 2HG LYS 60 -6.802 -9.113 11.424 402 2HG LYS 60 1HG LYS 60 -6.700 -8.775 13.156 403 1HD LYS 60 2HD LYS 60 -6.509 -6.337 12.554 404 2HD LYS 60 1HD LYS 60 -6.902 -6.798 10.896 405 1HE LYS 60 2HE LYS 60 -9.025 -7.700 11.627 406 2HE LYS 60 1HE LYS 60 -8.626 -7.327 13.306 407 1HZ LYS 60 1HZ LYS 60 -8.919 -5.323 11.126 408 2HZ LYS 60 2HZ LYS 60 -8.580 -4.987 12.754 409 3HZ LYS 60 3HZ LYS 60 -10.078 -5.637 12.326 410 H GLY 61 H GLY 61 -2.968 -9.392 14.080 411 1HA GLY 61 2HA GLY 61 -3.092 -9.029 16.773 412 2HA GLY 61 1HA GLY 61 -4.632 -9.784 16.401 413 H GLU 62 H GLU 62 -3.608 -11.487 14.281 414 HA GLU 62 HA GLU 62 -1.762 -13.230 15.704 415 1HB GLU 62 2HB GLU 62 -3.324 -15.169 15.532 416 2HB GLU 62 1HB GLU 62 -3.832 -13.933 16.673 417 1HG GLU 62 2HG GLU 62 -5.414 -13.062 15.045 418 2HG GLU 62 1HG GLU 62 -4.900 -14.284 13.880 419 H LYS 63 H LYS 63 -1.963 -15.520 14.295 420 HA LYS 63 HA LYS 63 -0.739 -14.700 11.813 421 1HB LYS 63 2HB LYS 63 0.129 -16.532 13.351 422 2HB LYS 63 1HB LYS 63 -1.203 -17.522 12.777 423 1HG LYS 63 2HG LYS 63 0.819 -16.305 10.915 424 2HG LYS 63 1HG LYS 63 1.056 -17.874 11.680 425 1HD LYS 63 2HD LYS 63 -1.223 -17.105 9.853 426 2HD LYS 63 1HD LYS 63 0.151 -18.131 9.431 427 1HE LYS 63 2HE LYS 63 -0.552 -19.727 11.174 428 2HE LYS 63 1HE LYS 63 -1.949 -18.711 11.516 429 1HZ LYS 63 1HZ LYS 63 -2.806 -19.114 9.336 430 2HZ LYS 63 2HZ LYS 63 -2.449 -20.613 10.039 431 3HZ LYS 63 3HZ LYS 63 -1.408 -19.960 8.868 432 H LEU 64 H LEU 64 -1.762 -14.498 9.993 433 HA LEU 64 HA LEU 64 -4.093 -16.182 9.407 434 1HB LEU 64 2HB LEU 64 -3.812 -13.260 8.674 435 2HB LEU 64 1HB LEU 64 -5.165 -14.302 8.281 436 HG LEU 64 HG LEU 64 -4.377 -13.564 11.096 437 1HD1 LEU 64 1HD1 LEU 64 -6.310 -12.059 11.040 438 2HD1 LEU 64 2HD1 LEU 64 -6.530 -12.414 9.329 439 3HD1 LEU 64 3HD1 LEU 64 -5.076 -11.581 9.874 440 1HD2 LEU 64 1HD2 LEU 64 -6.843 -14.879 9.965 441 2HD2 LEU 64 2HD2 LEU 64 -6.610 -14.409 11.649 442 3HD2 LEU 64 3HD2 LEU 64 -5.595 -15.662 10.933 443 H GLU 65 H GLU 65 -4.248 -16.855 7.264 444 HA GLU 65 HA GLU 65 -1.955 -16.115 5.569 445 1HB GLU 65 2HB GLU 65 -3.171 -18.825 6.032 446 2HB GLU 65 1HB GLU 65 -2.231 -18.472 4.586 447 1HG GLU 65 2HG GLU 65 -0.308 -17.908 5.936 448 2HG GLU 65 1HG GLU 65 -1.239 -18.161 7.410 449 H TRP 66 H TRP 66 -3.031 -14.574 4.484 450 HA TRP 66 HA TRP 66 -5.664 -14.913 3.479 451 1HB TRP 66 2HB TRP 66 -5.259 -12.732 2.364 452 2HB TRP 66 1HB TRP 66 -4.901 -12.712 4.085 453 HD1 TRP 66 HD TRP 66 -2.285 -12.519 4.789 454 HE1 TRP 66 1HE TRP 66 -0.269 -11.558 3.510 455 HE3 TRP 66 3HE TRP 66 -4.249 -12.483 0.064 456 HZ2 TRP 66 2HZ TRP 66 0.406 -10.883 0.860 457 HZ3 TRP 66 3HZ TRP 66 -2.848 -11.660 -1.787 458 HH2 TRP 66 HH TRP 66 -0.569 -10.876 -1.392 459 H ARG 67 H ARG 67 -2.633 -15.922 2.327 460 HA ARG 67 HA ARG 67 -3.057 -15.727 -0.448 461 1HB ARG 67 2HB ARG 67 -1.399 -17.642 1.186 462 2HB ARG 67 1HB ARG 67 -1.420 -17.663 -0.570 463 1HG ARG 67 2HG ARG 67 -0.632 -15.320 -0.574 464 2HG ARG 67 1HG ARG 67 -0.527 -15.381 1.187 465 1HD ARG 67 2HD ARG 67 1.086 -17.220 1.019 466 2HD ARG 67 1HD ARG 67 0.970 -17.160 -0.737 467 HE ARG 67 HE ARG 67 1.802 -14.704 0.579 468 1HH1 ARG 67 1HH1 ARG 67 2.740 -17.625 -1.117 469 2HH1 ARG 67 2HH1 ARG 67 4.326 -17.028 -1.540 470 1HH2 ARG 67 1HH2 ARG 67 3.901 -13.936 0.100 471 2HH2 ARG 67 2HH2 ARG 67 4.988 -14.935 -0.815 472 H THR 68 H THR 68 -3.796 -18.365 1.846 473 HA THR 68 HA THR 68 -5.277 -19.690 -0.314 474 HB THR 68 HB THR 68 -3.703 -21.177 0.679 475 HG1 THR 68 1HG THR 68 -5.087 -22.805 0.990 476 1HG2 THR 68 1HG2 THR 68 -3.736 -21.748 3.075 477 2HG2 THR 68 2HG2 THR 68 -4.934 -20.482 3.347 478 3HG2 THR 68 3HG2 THR 68 -3.311 -20.062 2.796 479 H SER 69 H SER 69 -5.707 -18.290 2.887 480 HA SER 69 HA SER 69 -8.427 -19.319 3.029 481 1HB SER 69 2HB SER 69 -6.829 -17.708 5.034 482 2HB SER 69 1HB SER 69 -8.420 -18.417 5.317 483 HG SER 69 HG SER 69 -6.056 -19.551 5.635 484 H ILE 70 H ILE 70 -9.987 -18.199 2.102 485 HA ILE 70 HA ILE 70 -9.662 -15.463 1.355 486 HB ILE 70 HB ILE 70 -11.005 -17.106 0.040 487 1HG1 ILE 70 2HG1 ILE 70 -12.839 -15.531 -0.510 488 2HG1 ILE 70 1HG1 ILE 70 -12.459 -14.613 0.942 489 1HG2 ILE 70 1HG2 ILE 70 -13.323 -17.558 0.723 490 2HG2 ILE 70 2HG2 ILE 70 -12.997 -16.787 2.277 491 3HG2 ILE 70 3HG2 ILE 70 -12.139 -18.260 1.826 492 1HD1 ILE 70 1HD1 ILE 70 -10.613 -15.050 -1.391 493 2HD1 ILE 70 2HD1 ILE 70 -10.242 -14.127 0.062 494 3HD1 ILE 70 3HD1 ILE 70 -11.509 -13.575 -1.033 495 H VAL 71 H VAL 71 -10.974 -17.115 4.092 496 HA VAL 71 HA VAL 71 -12.523 -14.895 5.058 497 HB VAL 71 HB VAL 71 -11.575 -17.380 6.506 498 1HG1 VAL 71 1HG1 VAL 71 -13.295 -16.887 8.155 499 2HG1 VAL 71 2HG1 VAL 71 -13.730 -15.416 7.285 500 3HG1 VAL 71 3HG1 VAL 71 -12.145 -15.553 8.047 501 1HG2 VAL 71 1HG2 VAL 71 -13.837 -18.222 6.121 502 2HG2 VAL 71 2HG2 VAL 71 -13.011 -17.891 4.599 503 3HG2 VAL 71 3HG2 VAL 71 -14.228 -16.768 5.205 504 H ASP 72 H ASP 72 -9.250 -16.018 5.364 505 HA ASP 72 HA ASP 72 -8.568 -14.659 7.743 506 1HB ASP 72 2HB ASP 72 -7.020 -15.962 5.562 507 2HB ASP 72 1HB ASP 72 -6.167 -14.837 6.615 508 H LEU 73 H LEU 73 -8.228 -13.715 4.325 509 HA LEU 73 HA LEU 73 -6.993 -11.229 4.969 510 1HB LEU 73 2HB LEU 73 -7.527 -10.602 2.625 511 2HB LEU 73 1HB LEU 73 -6.604 -12.079 2.797 512 HG LEU 73 HG LEU 73 -8.997 -13.198 2.602 513 1HD1 LEU 73 1HD1 LEU 73 -10.230 -11.086 2.546 514 2HD1 LEU 73 2HD1 LEU 73 -10.426 -11.988 1.043 515 3HD1 LEU 73 3HD1 LEU 73 -9.336 -10.604 1.106 516 1HD2 LEU 73 1HD2 LEU 73 -7.124 -13.616 1.122 517 2HD2 LEU 73 2HD2 LEU 73 -7.422 -12.091 0.284 518 3HD2 LEU 73 3HD2 LEU 73 -8.602 -13.396 0.186 519 H MET 74 H MET 74 -10.276 -12.306 4.703 520 HA MET 74 HA MET 74 -11.532 -9.796 4.522 521 1HB MET 74 2HB MET 74 -12.777 -11.780 4.021 522 2HB MET 74 1HB MET 74 -12.468 -12.450 5.615 523 1HG MET 74 2HG MET 74 -13.910 -10.868 6.646 524 2HG MET 74 1HG MET 74 -14.067 -9.947 5.151 525 1HE MET 74 1HE MET 74 -14.832 -13.423 6.874 526 2HE MET 74 2HE MET 74 -14.049 -13.863 5.355 527 3HE MET 74 3HE MET 74 -15.756 -14.225 5.602 528 H LYS 75 H LYS 75 -10.708 -11.813 7.341 529 HA LYS 75 HA LYS 75 -11.666 -9.853 9.198 530 1HB LYS 75 2HB LYS 75 -10.693 -11.290 10.931 531 2HB LYS 75 1HB LYS 75 -11.653 -12.223 9.793 532 1HG LYS 75 2HG LYS 75 -9.608 -12.956 8.673 533 2HG LYS 75 1HG LYS 75 -8.647 -12.028 9.824 534 1HD LYS 75 2HD LYS 75 -8.645 -14.303 10.547 535 2HD LYS 75 1HD LYS 75 -9.674 -13.392 11.653 536 1HE LYS 75 2HE LYS 75 -11.657 -14.195 10.506 537 2HE LYS 75 1HE LYS 75 -10.658 -15.036 9.322 538 1HZ LYS 75 1HZ LYS 75 -10.779 -15.628 12.232 539 2HZ LYS 75 2HZ LYS 75 -9.779 -16.417 11.115 540 3HZ LYS 75 3HZ LYS 75 -11.466 -16.565 10.994 541 H ALA 76 H ALA 76 -8.616 -10.539 7.663 542 HA ALA 76 HA ALA 76 -6.805 -9.300 9.367 543 1HB ALA 76 1HB ALA 76 -6.174 -10.692 7.435 544 2HB ALA 76 2HB ALA 76 -5.318 -9.151 7.460 545 3HB ALA 76 3HB ALA 76 -6.671 -9.391 6.353 546 H LEU 77 H LEU 77 -8.696 -7.862 6.692 547 HA LEU 77 HA LEU 77 -7.753 -5.229 7.124 548 1HB LEU 77 2HB LEU 77 -10.208 -6.350 5.819 549 2HB LEU 77 1HB LEU 77 -10.096 -4.629 6.116 550 HG LEU 77 HG LEU 77 -9.444 -5.089 3.848 551 1HD1 LEU 77 1HD1 LEU 77 -8.272 -3.291 4.993 552 2HD1 LEU 77 2HD1 LEU 77 -7.227 -4.082 3.813 553 3HD1 LEU 77 3HD1 LEU 77 -7.034 -4.428 5.531 554 1HD2 LEU 77 1HD2 LEU 77 -7.493 -6.468 3.306 555 2HD2 LEU 77 2HD2 LEU 77 -8.770 -7.412 4.075 556 3HD2 LEU 77 3HD2 LEU 77 -7.351 -6.926 5.004 557 H ASP 78 H ASP 78 -11.102 -6.207 7.803 558 HA ASP 78 HA ASP 78 -11.007 -6.070 10.564 559 1HB ASP 78 2HB ASP 78 -10.447 -3.634 10.113 560 2HB ASP 78 1HB ASP 78 -12.087 -3.465 9.488 561 H ILE 79 H ILE 79 -12.249 -7.843 9.328 562 HA ILE 79 HA ILE 79 -15.090 -7.070 9.420 563 HB ILE 79 HB ILE 79 -13.865 -9.173 7.618 564 1HG1 ILE 79 2HG1 ILE 79 -13.445 -6.852 6.880 565 2HG1 ILE 79 1HG1 ILE 79 -14.517 -7.710 5.781 566 1HG2 ILE 79 1HG2 ILE 79 -16.724 -8.333 8.045 567 2HG2 ILE 79 2HG2 ILE 79 -16.020 -9.936 8.251 568 3HG2 ILE 79 3HG2 ILE 79 -16.181 -9.248 6.639 569 1HD1 ILE 79 1HD1 ILE 79 -15.240 -5.415 6.155 570 2HD1 ILE 79 2HD1 ILE 79 -15.384 -5.741 7.884 571 3HD1 ILE 79 3HD1 ILE 79 -16.436 -6.572 6.737 572 H ASP 80 H ASP 80 -16.473 -8.444 10.476 573 HA ASP 80 HA ASP 80 -15.361 -9.802 12.692 574 1HB ASP 80 2HB ASP 80 -17.708 -10.397 13.218 575 2HB ASP 80 1HB ASP 80 -17.500 -8.685 12.863 576 H SER 81 H SER 81 -16.471 -10.888 9.602 577 HA SER 81 HA SER 81 -16.508 -12.853 8.525 578 1HB SER 81 2HB SER 81 -14.706 -14.507 9.102 579 2HB SER 81 1HB SER 81 -14.142 -12.876 8.778 580 HG SER 81 HG SER 81 -14.648 -13.123 11.394 581 H SER 82 H SER 82 -18.277 -12.506 10.846 582 HA SER 82 HA SER 82 -18.633 -15.187 11.885 583 1HB SER 82 2HB SER 82 -19.105 -13.111 13.224 584 2HB SER 82 1HB SER 82 -20.457 -12.782 12.144 585 HG SER 82 HG SER 82 -21.061 -13.882 14.089 586 H LEU 83 H LEU 83 -21.582 -15.073 11.763 587 HA LEU 83 HA LEU 83 -21.793 -16.531 9.329 588 1HB LEU 83 2HB LEU 83 -23.099 -16.806 11.581 589 2HB LEU 83 1HB LEU 83 -24.197 -15.640 10.871 590 HG LEU 83 HG LEU 83 -24.913 -18.005 10.579 591 1HD1 LEU 83 1HD1 LEU 83 -25.466 -17.862 8.201 592 2HD1 LEU 83 2HD1 LEU 83 -24.294 -16.556 8.006 593 3HD1 LEU 83 3HD1 LEU 83 -25.720 -16.321 9.020 594 1HD2 LEU 83 1HD2 LEU 83 -22.450 -18.178 8.850 595 2HD2 LEU 83 2HD2 LEU 83 -23.729 -19.392 8.930 596 3HD2 LEU 83 3HD2 LEU 83 -22.749 -19.051 10.355 597 H SER 84 H SER 84 -23.290 -13.457 10.405 598 HA SER 84 HA SER 84 -24.705 -12.978 8.047 599 1HB SER 84 2HB SER 84 -23.562 -10.969 9.997 600 2HB SER 84 1HB SER 84 -24.817 -10.637 8.804 601 HG SER 84 HG SER 84 -26.198 -11.358 10.195 602 H ALA 85 H ALA 85 -21.403 -12.112 8.944 603 HA ALA 85 HA ALA 85 -20.803 -10.505 6.727 604 1HB ALA 85 1HB ALA 85 -19.391 -10.616 8.725 605 2HB ALA 85 2HB ALA 85 -18.463 -10.926 7.256 606 3HB ALA 85 3HB ALA 85 -18.928 -12.265 8.303 607 H ARG 86 H ARG 86 -20.075 -13.971 7.226 608 HA ARG 86 HA ARG 86 -18.968 -14.327 4.650 609 1HB ARG 86 2HB ARG 86 -18.908 -16.663 5.137 610 2HB ARG 86 1HB ARG 86 -18.568 -15.816 6.638 611 1HG ARG 86 2HG ARG 86 -20.971 -16.135 7.261 612 2HG ARG 86 1HG ARG 86 -21.134 -17.167 5.840 613 1HD ARG 86 2HD ARG 86 -20.746 -18.560 7.759 614 2HD ARG 86 1HD ARG 86 -19.309 -18.596 6.737 615 HE ARG 86 HE ARG 86 -18.957 -16.572 8.619 616 1HH1 ARG 86 1HH1 ARG 86 -19.294 -20.061 8.585 617 2HH1 ARG 86 2HH1 ARG 86 -18.323 -20.289 10.008 618 1HH2 ARG 86 1HH2 ARG 86 -17.660 -16.885 10.486 619 2HH2 ARG 86 2HH2 ARG 86 -17.410 -18.502 11.084 620 H LYS 87 H LYS 87 -22.203 -14.321 5.828 621 HA LYS 87 HA LYS 87 -23.347 -15.804 3.669 622 1HB LYS 87 2HB LYS 87 -24.403 -15.622 5.923 623 2HB LYS 87 1HB LYS 87 -24.710 -13.919 5.606 624 1HG LYS 87 2HG LYS 87 -26.721 -15.144 5.203 625 2HG LYS 87 1HG LYS 87 -26.091 -14.591 3.650 626 1HD LYS 87 2HD LYS 87 -26.618 -16.782 3.168 627 2HD LYS 87 1HD LYS 87 -24.921 -16.925 3.627 628 1HE LYS 87 2HE LYS 87 -26.173 -18.684 4.683 629 2HE LYS 87 1HE LYS 87 -25.626 -17.544 5.911 630 1HZ LYS 87 1HZ LYS 87 -28.322 -17.353 4.706 631 2HZ LYS 87 2HZ LYS 87 -27.764 -16.676 6.160 632 3HZ LYS 87 3HZ LYS 87 -28.016 -18.350 6.041 633 H GLU 88 H GLU 88 -23.009 -12.350 4.463 634 HA GLU 88 HA GLU 88 -24.530 -11.549 2.192 635 1HB GLU 88 2HB GLU 88 -24.100 -9.315 2.773 636 2HB GLU 88 1HB GLU 88 -24.218 -10.165 4.302 637 1HG GLU 88 2HG GLU 88 -22.107 -9.706 4.865 638 2HG GLU 88 1HG GLU 88 -21.505 -9.935 3.220 639 H LEU 89 H LEU 89 -21.065 -11.848 2.867 640 HA LEU 89 HA LEU 89 -20.074 -10.657 0.558 641 1HB LEU 89 2HB LEU 89 -18.606 -11.326 2.346 642 2HB LEU 89 1HB LEU 89 -19.025 -13.013 2.121 643 HG LEU 89 HG LEU 89 -17.884 -13.050 -0.029 644 1HD1 LEU 89 1HD1 LEU 89 -18.308 -10.755 -0.732 645 2HD1 LEU 89 2HD1 LEU 89 -16.588 -11.133 -0.809 646 3HD1 LEU 89 3HD1 LEU 89 -17.217 -10.162 0.518 647 1HD2 LEU 89 1HD2 LEU 89 -16.206 -11.856 2.173 648 2HD2 LEU 89 2HD2 LEU 89 -15.585 -12.722 0.769 649 3HD2 LEU 89 3HD2 LEU 89 -16.581 -13.565 1.954 650 H ALA 90 H ALA 90 -21.159 -13.974 1.088 651 HA ALA 90 HA ALA 90 -20.518 -14.875 -1.525 652 1HB ALA 90 1HB ALA 90 -20.715 -16.416 0.349 653 2HB ALA 90 2HB ALA 90 -21.829 -16.854 -0.947 654 3HB ALA 90 3HB ALA 90 -22.433 -16.038 0.495 655 H LYS 91 H LYS 91 -23.453 -13.518 -0.052 656 HA LYS 91 HA LYS 91 -25.119 -14.225 -2.261 657 1HB LYS 91 2HB LYS 91 -26.882 -13.092 -1.177 658 2HB LYS 91 1HB LYS 91 -25.926 -13.822 0.101 659 1HG LYS 91 2HG LYS 91 -24.900 -11.677 0.586 660 2HG LYS 91 1HG LYS 91 -25.801 -10.934 -0.735 661 1HD LYS 91 2HD LYS 91 -27.908 -11.574 0.410 662 2HD LYS 91 1HD LYS 91 -26.950 -12.175 1.765 663 1HE LYS 91 2HE LYS 91 -27.784 -9.934 2.220 664 2HE LYS 91 1HE LYS 91 -26.026 -9.929 2.097 665 1HZ LYS 91 1HZ LYS 91 -27.168 -8.067 0.924 666 2HZ LYS 91 2HZ LYS 91 -27.822 -9.203 -0.151 667 3HZ LYS 91 3HZ LYS 91 -26.139 -8.989 -0.062 668 H GLU 92 H GLU 92 -23.085 -11.478 -1.559 669 HA GLU 92 HA GLU 92 -24.189 -9.696 -3.469 670 1HB GLU 92 2HB GLU 92 -21.282 -9.876 -2.646 671 2HB GLU 92 1HB GLU 92 -22.102 -8.480 -3.325 672 1HG GLU 92 2HG GLU 92 -22.614 -9.698 -0.622 673 2HG GLU 92 1HG GLU 92 -21.719 -8.217 -0.947 674 H LEU 93 H LEU 93 -21.785 -12.248 -3.591 675 HA LEU 93 HA LEU 93 -21.117 -11.872 -6.348 676 1HB LEU 93 2HB LEU 93 -20.729 -14.275 -4.556 677 2HB LEU 93 1HB LEU 93 -19.968 -14.036 -6.117 678 HG LEU 93 HG LEU 93 -19.533 -12.248 -3.724 679 1HD1 LEU 93 1HD1 LEU 93 -17.786 -14.432 -4.845 680 2HD1 LEU 93 2HD1 LEU 93 -18.662 -14.485 -3.314 681 3HD1 LEU 93 3HD1 LEU 93 -17.354 -13.323 -3.544 682 1HD2 LEU 93 1HD2 LEU 93 -18.154 -12.420 -6.399 683 2HD2 LEU 93 2HD2 LEU 93 -17.628 -11.420 -5.045 684 3HD2 LEU 93 3HD2 LEU 93 -19.178 -11.103 -5.827 685 H GLY 94 H GLY 94 -23.333 -13.957 -4.551 686 1HA GLY 94 2HA GLY 94 -25.377 -14.125 -6.281 687 2HA GLY 94 1HA GLY 94 -24.244 -15.272 -6.978 688 H TYR 95 H TYR 95 -23.260 -15.920 -4.235 689 HA TYR 95 HA TYR 95 -23.552 -17.527 -2.680 690 1HB TYR 95 2HB TYR 95 -25.405 -15.970 -1.963 691 2HB TYR 95 1HB TYR 95 -26.518 -16.972 -2.883 692 HD1 TYR 95 1HD TYR 95 -27.375 -18.989 -1.966 693 HD2 TYR 95 2HD TYR 95 -24.187 -16.964 -0.007 694 HE1 TYR 95 1HE TYR 95 -27.654 -20.452 -0.006 695 HE2 TYR 95 2HE TYR 95 -24.455 -18.421 1.951 696 HH TYR 95 HH TYR 95 -26.206 -21.268 1.923 697 H SER 96 H SER 96 -22.824 -19.088 -4.149 698 HA SER 96 HA SER 96 -24.945 -20.878 -5.119 699 1HB SER 96 2HB SER 96 -22.283 -20.371 -6.474 700 2HB SER 96 1HB SER 96 -23.595 -21.388 -7.073 701 HG SER 96 HG SER 96 -24.799 -19.196 -6.766 702 H GLY 97 H GLY 97 -24.887 -22.768 -4.112 703 1HA GLY 97 2HA GLY 97 -22.624 -24.386 -3.832 704 2HA GLY 97 1HA GLY 97 -22.825 -23.495 -2.329 705 H ASP 98 H ASP 98 -22.999 -26.282 -2.459 706 HA ASP 98 HA ASP 98 -25.656 -26.722 -1.433 707 1HB ASP 98 2HB ASP 98 -26.009 -26.978 -3.880 708 2HB ASP 98 1HB ASP 98 -24.791 -28.247 -3.900 709 H MET 99 H MET 99 -23.128 -28.746 -2.900 710 HA MET 99 HA MET 99 -23.045 -30.324 -0.413 711 1HB MET 99 2HB MET 99 -22.290 -32.196 -1.817 712 2HB MET 99 1HB MET 99 -23.841 -31.571 -2.365 713 1HG MET 99 2HG MET 99 -22.765 -30.386 -4.173 714 2HG MET 99 1HG MET 99 -21.179 -30.886 -3.590 715 1HE MET 99 1HE MET 99 -20.617 -31.742 -6.052 716 2HE MET 99 2HE MET 99 -22.224 -31.276 -6.603 717 3HE MET 99 3HE MET 99 -21.613 -32.897 -6.939 718 H ASN 100 H ASN 100 -21.474 -27.870 -1.145 719 HA ASN 100 HA ASN 100 -18.804 -28.928 -1.643 720 1HB ASN 100 2HB ASN 100 -18.184 -26.499 -1.847 721 2HB ASN 100 1HB ASN 100 -19.371 -27.064 -3.018 722 1HD2 ASN 100 1HD2 ASN 100 -18.827 -25.087 -0.206 723 2HD2 ASN 100 2HD2 ASN 100 -20.321 -24.220 -0.300 724 H ASP 101 H ASP 101 -20.661 -27.401 0.911 725 HA ASP 101 HA ASP 101 -20.202 -26.921 3.083 726 1HB ASP 101 2HB ASP 101 -19.509 -29.296 3.149 727 2HB ASP 101 1HB ASP 101 -17.875 -28.831 2.692 728 H SER 102 H SER 102 -18.112 -26.196 4.558 729 HA SER 102 HA SER 102 -17.255 -23.774 3.406 730 1HB SER 102 2HB SER 102 -16.171 -25.230 5.830 731 2HB SER 102 1HB SER 102 -15.894 -23.532 5.439 732 HG SER 102 HG SER 102 -17.844 -24.463 6.864 733 H ALA 103 H ALA 103 -15.909 -26.969 3.418 734 HA ALA 103 HA ALA 103 -13.215 -26.470 2.952 735 1HB ALA 103 1HB ALA 103 -13.157 -28.675 1.897 736 2HB ALA 103 2HB ALA 103 -14.919 -28.679 1.815 737 3HB ALA 103 3HB ALA 103 -14.109 -28.694 3.382 738 H SER 104 H SER 104 -15.699 -27.114 0.451 739 HA SER 104 HA SER 104 -13.935 -26.145 -1.604 740 1HB SER 104 2HB SER 104 -16.876 -26.825 -1.825 741 2HB SER 104 1HB SER 104 -15.708 -26.717 -3.142 742 HG SER 104 HG SER 104 -14.570 -28.476 -2.101 743 H MET 105 H MET 105 -16.215 -24.738 0.518 744 HA MET 105 HA MET 105 -17.111 -22.587 -1.091 745 1HB MET 105 2HB MET 105 -18.295 -23.183 0.947 746 2HB MET 105 1HB MET 105 -16.886 -22.790 1.919 747 1HG MET 105 2HG MET 105 -18.503 -21.021 2.081 748 2HG MET 105 1HG MET 105 -17.079 -20.440 1.217 749 1HE MET 105 1HE MET 105 -20.849 -21.396 1.025 750 2HE MET 105 2HE MET 105 -20.160 -22.647 -0.008 751 3HE MET 105 3HE MET 105 -21.171 -21.383 -0.709 752 H ASN 106 H ASN 106 -14.300 -23.006 1.011 753 HA ASN 106 HA ASN 106 -13.426 -20.321 0.908 754 1HB ASN 106 2HB ASN 106 -12.538 -21.839 2.585 755 2HB ASN 106 1HB ASN 106 -11.845 -22.866 1.335 756 1HD2 ASN 106 1HD2 ASN 106 -9.915 -22.306 0.411 757 2HD2 ASN 106 2HD2 ASN 106 -8.946 -20.974 0.942 758 H ILE 107 H ILE 107 -13.209 -22.951 -1.316 759 HA ILE 107 HA ILE 107 -11.030 -21.908 -2.853 760 HB ILE 107 HB ILE 107 -13.085 -23.990 -3.620 761 1HG1 ILE 107 2HG1 ILE 107 -10.314 -24.343 -2.449 762 2HG1 ILE 107 1HG1 ILE 107 -11.813 -24.518 -1.543 763 1HG2 ILE 107 1HG2 ILE 107 -10.373 -23.354 -4.775 764 2HG2 ILE 107 2HG2 ILE 107 -11.930 -23.093 -5.558 765 3HG2 ILE 107 3HG2 ILE 107 -11.371 -24.734 -5.230 766 1HD1 ILE 107 1HD1 ILE 107 -12.456 -26.373 -3.015 767 2HD1 ILE 107 2HD1 ILE 107 -10.946 -26.678 -2.154 768 3HD1 ILE 107 3HD1 ILE 107 -10.914 -26.213 -3.856 769 H TRP 108 H TRP 108 -14.534 -22.220 -3.513 770 HA TRP 108 HA TRP 108 -14.463 -20.833 -5.962 771 1HB TRP 108 2HB TRP 108 -16.319 -22.288 -5.429 772 2HB TRP 108 1HB TRP 108 -16.748 -21.299 -4.037 773 HD1 TRP 108 HD TRP 108 -16.840 -21.225 -7.883 774 HE1 TRP 108 1HE TRP 108 -18.584 -19.477 -8.629 775 HE3 TRP 108 3HE TRP 108 -17.995 -19.260 -3.309 776 HZ2 TRP 108 2HZ TRP 108 -20.232 -17.529 -7.412 777 HZ3 TRP 108 3HZ TRP 108 -19.665 -17.460 -3.187 778 HH2 TRP 108 HH TRP 108 -20.753 -16.613 -5.193 779 H LEU 109 H LEU 109 -15.326 -19.725 -2.710 780 HA LEU 109 HA LEU 109 -16.032 -17.098 -3.383 781 1HB LEU 109 2HB LEU 109 -16.370 -18.410 -1.186 782 2HB LEU 109 1HB LEU 109 -14.749 -17.888 -0.775 783 HG LEU 109 HG LEU 109 -15.554 -15.509 -1.068 784 1HD1 LEU 109 1HD1 LEU 109 -17.968 -15.139 -0.930 785 2HD1 LEU 109 2HD1 LEU 109 -18.238 -16.875 -1.094 786 3HD1 LEU 109 3HD1 LEU 109 -17.516 -15.964 -2.421 787 1HD2 LEU 109 1HD2 LEU 109 -15.244 -16.510 1.127 788 2HD2 LEU 109 2HD2 LEU 109 -16.862 -17.205 1.052 789 3HD2 LEU 109 3HD2 LEU 109 -16.656 -15.455 1.118 790 H HIS 110 H HIS 110 -12.947 -18.624 -2.705 791 HA HIS 110 HA HIS 110 -11.351 -16.344 -2.355 792 1HB HIS 110 2HB HIS 110 -10.703 -18.753 -1.914 793 2HB HIS 110 1HB HIS 110 -10.473 -18.931 -3.648 794 HD1 HIS 110 1HD HIS 110 -8.354 -17.870 -4.688 795 HD2 HIS 110 2HD HIS 110 -8.726 -17.303 -0.577 796 HE1 HIS 110 1HE HIS 110 -6.109 -17.061 -3.899 797 HE2 HIS 110 2HE HIS 110 -6.294 -16.975 -1.396 798 H LYS 111 H LYS 111 -12.371 -18.080 -5.234 799 HA LYS 111 HA LYS 111 -10.729 -16.700 -7.093 800 1HB LYS 111 2HB LYS 111 -13.429 -17.915 -7.700 801 2HB LYS 111 1HB LYS 111 -12.062 -17.729 -8.786 802 1HG LYS 111 2HG LYS 111 -12.139 -19.564 -6.402 803 2HG LYS 111 1HG LYS 111 -12.433 -20.050 -8.072 804 1HD LYS 111 2HD LYS 111 -9.883 -18.814 -7.045 805 2HD LYS 111 1HD LYS 111 -10.136 -20.538 -7.322 806 1HE LYS 111 2HE LYS 111 -10.509 -20.119 -9.687 807 2HE LYS 111 1HE LYS 111 -10.329 -18.385 -9.426 808 1HZ LYS 111 1HZ LYS 111 -8.056 -18.746 -8.735 809 2HZ LYS 111 2HZ LYS 111 -8.301 -19.381 -10.290 810 3HZ LYS 111 3HZ LYS 111 -8.223 -20.424 -8.952 811 H GLN 112 H GLN 112 -14.187 -16.437 -6.328 812 HA GLN 112 HA GLN 112 -14.775 -14.376 -8.115 813 1HB GLN 112 2HB GLN 112 -16.152 -15.296 -5.611 814 2HB GLN 112 1HB GLN 112 -16.810 -14.034 -6.636 815 1HG GLN 112 2HG GLN 112 -16.250 -16.877 -7.436 816 2HG GLN 112 1HG GLN 112 -17.834 -16.163 -7.125 817 1HE2 GLN 112 1HE2 GLN 112 -15.246 -16.514 -9.354 818 2HE2 GLN 112 2HE2 GLN 112 -15.987 -15.682 -10.680 819 H VAL 113 H VAL 113 -14.038 -14.162 -4.634 820 HA VAL 113 HA VAL 113 -14.554 -11.420 -4.370 821 HB VAL 113 HB VAL 113 -12.655 -13.165 -2.795 822 1HG1 VAL 113 1HG1 VAL 113 -12.758 -11.438 -1.056 823 2HG1 VAL 113 2HG1 VAL 113 -13.679 -10.402 -2.146 824 3HG1 VAL 113 3HG1 VAL 113 -12.013 -10.831 -2.535 825 1HG2 VAL 113 1HG2 VAL 113 -14.463 -13.195 -1.140 826 2HG2 VAL 113 2HG2 VAL 113 -14.990 -13.863 -2.686 827 3HG2 VAL 113 3HG2 VAL 113 -15.467 -12.229 -2.223 828 H MET 114 H MET 114 -11.621 -13.131 -5.321 829 HA MET 114 HA MET 114 -9.941 -10.839 -5.276 830 1HB MET 114 2HB MET 114 -9.697 -13.560 -6.521 831 2HB MET 114 1HB MET 114 -8.480 -12.316 -6.791 832 1HG MET 114 2HG MET 114 -9.330 -13.321 -4.085 833 2HG MET 114 1HG MET 114 -7.914 -13.884 -4.970 834 1HE MET 114 1HE MET 114 -6.313 -11.735 -2.116 835 2HE MET 114 2HE MET 114 -6.338 -13.304 -2.921 836 3HE MET 114 3HE MET 114 -7.743 -12.763 -2.002 837 H SER 115 H SER 115 -11.991 -12.309 -7.715 838 HA SER 115 HA SER 115 -11.058 -10.791 -9.914 839 1HB SER 115 2HB SER 115 -13.789 -12.025 -9.471 840 2HB SER 115 1HB SER 115 -13.134 -11.492 -11.019 841 HG SER 115 HG SER 115 -12.863 -13.852 -9.904 842 H LYS 116 H LYS 116 -13.050 -10.022 -7.228 843 HA LYS 116 HA LYS 116 -14.069 -7.587 -8.508 844 1HB LYS 116 2HB LYS 116 -14.643 -8.564 -5.709 845 2HB LYS 116 1HB LYS 116 -15.532 -7.357 -6.622 846 1HG LYS 116 2HG LYS 116 -15.408 -10.296 -7.248 847 2HG LYS 116 1HG LYS 116 -16.746 -9.455 -6.465 848 1HD LYS 116 2HD LYS 116 -16.964 -8.043 -8.509 849 2HD LYS 116 1HD LYS 116 -15.743 -9.062 -9.280 850 1HE LYS 116 2HE LYS 116 -17.173 -11.025 -8.913 851 2HE LYS 116 1HE LYS 116 -18.400 -9.987 -8.190 852 1HZ LYS 116 1HZ LYS 116 -19.001 -10.387 -10.431 853 2HZ LYS 116 2HZ LYS 116 -17.458 -9.973 -11.003 854 3HZ LYS 116 3HZ LYS 116 -18.470 -8.775 -10.351 855 H LEU 117 H LEU 117 -11.386 -8.578 -6.868 856 HA LEU 117 HA LEU 117 -11.160 -6.149 -5.227 857 1HB LEU 117 2HB LEU 117 -10.860 -8.702 -4.458 858 2HB LEU 117 1HB LEU 117 -9.218 -8.384 -4.974 859 HG LEU 117 HG LEU 117 -10.727 -6.849 -2.848 860 1HD1 LEU 117 1HD1 LEU 117 -10.126 -9.097 -2.145 861 2HD1 LEU 117 2HD1 LEU 117 -9.144 -7.893 -1.308 862 3HD1 LEU 117 3HD1 LEU 117 -8.456 -8.820 -2.641 863 1HD2 LEU 117 1HD2 LEU 117 -9.132 -5.421 -4.035 864 2HD2 LEU 117 2HD2 LEU 117 -7.855 -6.603 -3.743 865 3HD2 LEU 117 3HD2 LEU 117 -8.599 -5.753 -2.387 866 H VAL 118 H VAL 118 -8.853 -8.302 -6.899 867 HA VAL 118 HA VAL 118 -6.929 -6.196 -7.049 868 HB VAL 118 HB VAL 118 -5.514 -7.796 -8.248 869 1HG1 VAL 118 1HG1 VAL 118 -5.344 -9.468 -6.465 870 2HG1 VAL 118 2HG1 VAL 118 -6.920 -8.967 -5.853 871 3HG1 VAL 118 3HG1 VAL 118 -5.561 -7.842 -5.822 872 1HG2 VAL 118 1HG2 VAL 118 -7.173 -8.927 -9.599 873 2HG2 VAL 118 2HG2 VAL 118 -7.933 -9.596 -8.156 874 3HG2 VAL 118 3HG2 VAL 118 -6.307 -10.103 -8.613 875 H ALA 119 H ALA 119 -9.521 -7.056 -9.044 876 HA ALA 119 HA ALA 119 -8.411 -6.335 -11.569 877 1HB ALA 119 1HB ALA 119 -10.383 -7.784 -11.346 878 2HB ALA 119 2HB ALA 119 -10.689 -6.392 -12.386 879 3HB ALA 119 3HB ALA 119 -11.306 -6.410 -10.733 880 H ASN 120 H ASN 120 -9.193 -4.505 -8.885 881 HA ASN 120 HA ASN 120 -10.022 -2.143 -10.368 882 1HB ASN 120 2HB ASN 120 -9.500 -2.548 -7.418 883 2HB ASN 120 1HB ASN 120 -10.084 -1.053 -8.138 884 1HD2 ASN 120 1HD2 ASN 120 -10.878 -4.235 -7.118 885 2HD2 ASN 120 2HD2 ASN 120 -12.584 -4.140 -7.398 886 H GLY 121 H GLY 121 -7.151 -3.581 -10.008 887 1HA GLY 121 2HA GLY 121 -5.262 -2.261 -10.940 888 2HA GLY 121 1HA GLY 121 -5.694 -1.013 -9.778 889 H GLY 122 H GLY 122 -6.085 -4.114 -8.532 890 1HA GLY 122 2HA GLY 122 -3.904 -3.778 -6.692 891 2HA GLY 122 1HA GLY 122 -5.032 -5.130 -6.745 892 H LYS 123 H LYS 123 -1.982 -4.706 -6.679 893 HA LYS 123 HA LYS 123 -1.259 -6.443 -8.943 894 1HB LYS 123 2HB LYS 123 -0.133 -4.296 -8.991 895 2HB LYS 123 1HB LYS 123 0.362 -4.471 -7.320 896 1HG LYS 123 2HG LYS 123 1.292 -6.499 -9.286 897 2HG LYS 123 1HG LYS 123 2.034 -4.898 -9.298 898 1HD LYS 123 2HD LYS 123 2.434 -5.171 -6.834 899 2HD LYS 123 1HD LYS 123 1.898 -6.843 -6.995 900 1HE LYS 123 2HE LYS 123 3.699 -7.285 -8.568 901 2HE LYS 123 1HE LYS 123 4.217 -5.602 -8.472 902 1HZ LYS 123 1HZ LYS 123 4.249 -7.586 -6.266 903 2HZ LYS 123 2HZ LYS 123 4.632 -5.952 -6.083 904 3HZ LYS 123 3HZ LYS 123 5.599 -6.949 -7.064 905 H LEU 124 H LEU 124 -0.617 -8.458 -8.507 906 HA LEU 124 HA LEU 124 0.619 -9.016 -5.932 907 1HB LEU 124 2HB LEU 124 -0.541 -11.225 -5.798 908 2HB LEU 124 1HB LEU 124 -1.549 -9.835 -5.487 909 HG LEU 124 HG LEU 124 -2.769 -11.541 -6.687 910 1HD1 LEU 124 1HD1 LEU 124 -3.657 -10.272 -8.540 911 2HD1 LEU 124 2HD1 LEU 124 -2.255 -9.206 -8.503 912 3HD1 LEU 124 3HD1 LEU 124 -3.377 -9.234 -7.142 913 1HD2 LEU 124 1HD2 LEU 124 -2.216 -12.157 -9.003 914 2HD2 LEU 124 2HD2 LEU 124 -1.014 -12.697 -7.832 915 3HD2 LEU 124 3HD2 LEU 124 -0.690 -11.288 -8.841 916 HA PRO 125 HA PRO 125 3.486 -11.269 -8.473 917 1HB PRO 125 2HB PRO 125 4.314 -12.827 -6.172 918 2HB PRO 125 1HB PRO 125 5.170 -11.508 -6.970 919 1HG PRO 125 2HG PRO 125 4.134 -11.331 -4.452 920 2HG PRO 125 1HG PRO 125 4.356 -9.936 -5.524 921 1HD PRO 125 2HD PRO 125 1.869 -11.498 -4.926 922 2HD PRO 125 1HD PRO 125 2.083 -9.741 -5.110 923 HA PRO 126 HA PRO 126 1.799 -15.327 -9.332 924 1HB PRO 126 2HB PRO 126 4.040 -16.877 -9.643 925 2HB PRO 126 1HB PRO 126 3.422 -15.780 -10.881 926 1HG PRO 126 2HG PRO 126 5.640 -15.371 -8.920 927 2HG PRO 126 1HG PRO 126 5.556 -14.906 -10.629 928 1HD PRO 126 2HD PRO 126 5.177 -13.130 -8.639 929 2HD PRO 126 1HD PRO 126 4.306 -13.014 -10.180 930 H GLU 127 H GLU 127 3.358 -14.595 -6.542 931 HA GLU 127 HA GLU 127 3.360 -17.151 -5.246 932 1HB GLU 127 2HB GLU 127 3.550 -14.298 -4.301 933 2HB GLU 127 1HB GLU 127 3.427 -15.631 -3.161 934 1HG GLU 127 2HG GLU 127 5.572 -15.391 -5.254 935 2HG GLU 127 1HG GLU 127 5.742 -14.843 -3.585 936 H ILE 128 H ILE 128 1.062 -14.717 -6.018 937 HA ILE 128 HA ILE 128 -0.832 -15.730 -4.020 938 HB ILE 128 HB ILE 128 -1.223 -13.312 -5.777 939 1HG1 ILE 128 2HG1 ILE 128 0.804 -12.899 -4.538 940 2HG1 ILE 128 1HG1 ILE 128 -0.495 -11.966 -3.798 941 1HG2 ILE 128 1HG2 ILE 128 -2.480 -14.149 -3.169 942 2HG2 ILE 128 2HG2 ILE 128 -3.236 -14.205 -4.763 943 3HG2 ILE 128 3HG2 ILE 128 -2.818 -12.651 -4.039 944 1HD1 ILE 128 1HD1 ILE 128 -0.693 -13.653 -2.042 945 2HD1 ILE 128 2HD1 ILE 128 0.934 -12.973 -2.120 946 3HD1 ILE 128 3HD1 ILE 128 0.613 -14.573 -2.789 947 H LYS 129 H LYS 129 -1.710 -17.523 -4.897 948 HA LYS 129 HA LYS 129 -2.738 -17.409 -7.626 949 1HB LYS 129 2HB LYS 129 -1.435 -19.414 -6.957 950 2HB LYS 129 1HB LYS 129 -2.611 -19.742 -5.696 951 1HG LYS 129 2HG LYS 129 -3.269 -21.194 -7.346 952 2HG LYS 129 1HG LYS 129 -4.316 -19.812 -7.649 953 1HD LYS 129 2HD LYS 129 -1.704 -20.257 -9.089 954 2HD LYS 129 1HD LYS 129 -3.249 -20.855 -9.687 955 1HE LYS 129 2HE LYS 129 -4.087 -18.505 -9.652 956 2HE LYS 129 1HE LYS 129 -2.455 -17.983 -9.243 957 1HZ LYS 129 1HZ LYS 129 -1.652 -18.901 -11.307 958 2HZ LYS 129 2HZ LYS 129 -2.917 -17.810 -11.618 959 3HZ LYS 129 3HZ LYS 129 -3.199 -19.481 -11.695 960 H HIS 130 H HIS 130 -4.663 -16.467 -7.740 961 HA HIS 130 HA HIS 130 -6.372 -16.615 -5.389 962 1HB HIS 130 2HB HIS 130 -7.546 -14.647 -6.403 963 2HB HIS 130 1HB HIS 130 -5.868 -14.379 -5.954 964 HD1 HIS 130 1HD HIS 130 -7.310 -15.748 -9.206 965 HD2 HIS 130 2HD HIS 130 -4.943 -12.636 -7.796 966 HE1 HIS 130 1HE HIS 130 -6.591 -14.461 -11.247 967 HE2 HIS 130 2HE HIS 130 -4.988 -12.718 -10.383 Start of MODEL 7 1 1H MET 1 1HT MET 1 -25.117 -5.793 2.974 2 2H MET 1 2HT MET 1 -23.764 -6.821 2.987 3 3H MET 1 3HT MET 1 -24.963 -6.996 1.793 4 HA MET 1 HA MET 1 -24.409 -4.920 0.804 5 1HB MET 1 2HB MET 1 -23.608 -4.165 3.278 6 2HB MET 1 1HB MET 1 -22.044 -4.534 2.564 7 1HG MET 1 2HG MET 1 -22.695 -2.997 0.664 8 2HG MET 1 1HG MET 1 -24.057 -2.496 1.659 9 1HE MET 1 1HE MET 1 -23.300 0.026 1.548 10 2HE MET 1 2HE MET 1 -21.938 -0.422 0.521 11 3HE MET 1 3HE MET 1 -21.676 0.585 1.946 12 H SER 2 H SER 2 -21.785 -4.418 0.139 13 HA SER 2 HA SER 2 -20.943 -7.026 -0.880 14 1HB SER 2 2HB SER 2 -20.244 -4.258 -1.901 15 2HB SER 2 1HB SER 2 -19.817 -5.790 -2.664 16 HG SER 2 HG SER 2 -21.621 -5.110 -3.709 17 H ILE 3 H ILE 3 -19.696 -7.738 0.803 18 HA ILE 3 HA ILE 3 -18.012 -6.087 2.338 19 HB ILE 3 HB ILE 3 -17.806 -9.080 2.035 20 1HG1 ILE 3 2HG1 ILE 3 -19.623 -7.330 3.685 21 2HG1 ILE 3 1HG1 ILE 3 -20.068 -8.618 2.573 22 1HG2 ILE 3 1HG2 ILE 3 -17.012 -7.254 4.300 23 2HG2 ILE 3 2HG2 ILE 3 -15.903 -8.040 3.176 24 3HG2 ILE 3 3HG2 ILE 3 -16.870 -9.014 4.284 25 1HD1 ILE 3 1HD1 ILE 3 -20.386 -9.290 4.879 26 2HD1 ILE 3 2HD1 ILE 3 -18.682 -8.979 5.214 27 3HD1 ILE 3 3HD1 ILE 3 -19.139 -10.265 4.098 28 H PHE 4 H PHE 4 -17.424 -7.933 -0.583 29 HA PHE 4 HA PHE 4 -14.614 -7.791 -0.571 30 1HB PHE 4 2HB PHE 4 -14.833 -8.012 -3.089 31 2HB PHE 4 1HB PHE 4 -15.591 -9.279 -2.137 32 HD1 PHE 4 1HD PHE 4 -17.893 -9.717 -2.317 33 HD2 PHE 4 2HD PHE 4 -16.253 -6.227 -4.113 34 HE1 PHE 4 1HE PHE 4 -20.004 -9.350 -3.520 35 HE2 PHE 4 2HE PHE 4 -18.361 -5.851 -5.319 36 HZ PHE 4 HZ PHE 4 -20.241 -7.415 -5.021 37 H GLY 5 H GLY 5 -17.024 -5.397 -1.160 38 1HA GLY 5 2HA GLY 5 -15.075 -3.540 -2.302 39 2HA GLY 5 1HA GLY 5 -16.804 -3.261 -2.141 40 H LYS 6 H LYS 6 -16.111 -4.509 0.720 41 HA LYS 6 HA LYS 6 -15.871 -1.888 1.970 42 1HB LYS 6 2HB LYS 6 -16.382 -4.612 3.193 43 2HB LYS 6 1HB LYS 6 -16.440 -3.079 4.054 44 1HG LYS 6 2HG LYS 6 -18.327 -2.359 2.748 45 2HG LYS 6 1HG LYS 6 -18.220 -3.799 1.736 46 1HD LYS 6 2HD LYS 6 -19.957 -4.287 3.215 47 2HD LYS 6 1HD LYS 6 -18.567 -5.111 3.916 48 1HE LYS 6 2HE LYS 6 -19.327 -2.341 4.777 49 2HE LYS 6 1HE LYS 6 -20.118 -3.755 5.466 50 1HZ LYS 6 1HZ LYS 6 -18.231 -2.950 6.793 51 2HZ LYS 6 2HZ LYS 6 -17.186 -3.279 5.503 52 3HZ LYS 6 3HZ LYS 6 -18.019 -4.548 6.264 53 H ILE 7 H ILE 7 -14.092 -4.871 1.578 54 HA ILE 7 HA ILE 7 -12.099 -4.265 3.545 55 HB ILE 7 HB ILE 7 -10.849 -6.165 2.540 56 1HG1 ILE 7 2HG1 ILE 7 -13.249 -6.363 0.708 57 2HG1 ILE 7 1HG1 ILE 7 -11.639 -5.865 0.213 58 1HG2 ILE 7 1HG2 ILE 7 -12.436 -7.894 3.224 59 2HG2 ILE 7 2HG2 ILE 7 -13.749 -6.718 3.158 60 3HG2 ILE 7 3HG2 ILE 7 -12.454 -6.528 4.341 61 1HD1 ILE 7 1HD1 ILE 7 -12.417 -8.570 1.264 62 2HD1 ILE 7 2HD1 ILE 7 -10.782 -8.076 0.826 63 3HD1 ILE 7 3HD1 ILE 7 -12.040 -8.155 -0.409 64 H MET 8 H MET 8 -12.508 -3.623 0.142 65 HA MET 8 HA MET 8 -9.754 -3.206 -0.431 66 1HB MET 8 2HB MET 8 -10.496 -2.316 -2.573 67 2HB MET 8 1HB MET 8 -11.325 -3.815 -2.193 68 1HG MET 8 2HG MET 8 -12.962 -2.445 -3.117 69 2HG MET 8 1HG MET 8 -13.249 -2.360 -1.382 70 1HE MET 8 1HE MET 8 -14.214 1.212 -2.812 71 2HE MET 8 2HE MET 8 -14.821 -0.219 -1.983 72 3HE MET 8 3HE MET 8 -14.362 -0.313 -3.684 73 H SER 9 H SER 9 -12.030 -1.333 1.207 74 HA SER 9 HA SER 9 -11.314 1.277 0.431 75 1HB SER 9 2HB SER 9 -12.318 0.407 3.149 76 2HB SER 9 1HB SER 9 -12.503 1.992 2.400 77 HG SER 9 HG SER 9 -13.659 0.726 0.681 78 H ALA 10 H ALA 10 -9.836 -1.006 2.614 79 HA ALA 10 HA ALA 10 -8.028 1.037 3.663 80 1HB ALA 10 1HB ALA 10 -8.240 -1.882 4.387 81 2HB ALA 10 2HB ALA 10 -9.030 -0.556 5.239 82 3HB ALA 10 3HB ALA 10 -7.269 -0.666 5.215 83 H ILE 11 H ILE 11 -8.120 -1.587 1.411 84 HA ILE 11 HA ILE 11 -5.291 -1.970 1.218 85 HB ILE 11 HB ILE 11 -7.462 -2.773 -0.729 86 1HG1 ILE 11 2HG1 ILE 11 -6.129 -4.380 1.464 87 2HG1 ILE 11 1HG1 ILE 11 -7.769 -3.741 1.528 88 1HG2 ILE 11 1HG2 ILE 11 -5.820 -4.393 -1.560 89 2HG2 ILE 11 2HG2 ILE 11 -4.614 -3.727 -0.458 90 3HG2 ILE 11 3HG2 ILE 11 -5.263 -2.732 -1.761 91 1HD1 ILE 11 1HD1 ILE 11 -7.767 -6.103 0.977 92 2HD1 ILE 11 2HD1 ILE 11 -6.745 -5.792 -0.428 93 3HD1 ILE 11 3HD1 ILE 11 -8.387 -5.148 -0.371 94 H PHE 12 H PHE 12 -7.742 -0.442 -0.855 95 HA PHE 12 HA PHE 12 -5.646 0.690 -2.537 96 1HB PHE 12 2HB PHE 12 -8.659 0.674 -2.781 97 2HB PHE 12 1HB PHE 12 -7.582 1.448 -3.938 98 HD1 PHE 12 1HD PHE 12 -6.254 0.146 -5.471 99 HD2 PHE 12 2HD PHE 12 -8.784 -1.768 -2.626 100 HE1 PHE 12 1HE PHE 12 -6.011 -1.976 -6.691 101 HE2 PHE 12 2HE PHE 12 -8.541 -3.894 -3.843 102 HZ PHE 12 HZ PHE 12 -7.153 -3.999 -5.875 103 H GLY 13 H GLY 13 -6.319 1.561 0.281 104 1HA GLY 13 2HA GLY 13 -7.075 4.356 -0.264 105 2HA GLY 13 1HA GLY 13 -7.268 3.545 1.282 106 H ASP 14 H ASP 14 -4.312 2.804 -0.217 107 HA ASP 14 HA ASP 14 -2.883 4.343 1.771 108 1HB ASP 14 2HB ASP 14 -2.273 1.964 0.953 109 2HB ASP 14 1HB ASP 14 -1.593 2.771 -0.455 110 H SER 15 H SER 15 -1.036 5.661 1.140 111 HA SER 15 HA SER 15 -0.775 6.991 -1.307 112 1HB SER 15 2HB SER 15 -3.045 7.824 -0.932 113 2HB SER 15 1HB SER 15 -2.611 8.360 0.686 114 HG SER 15 HG SER 15 -2.011 10.158 -0.173 115 H ALA 16 H ALA 16 -0.783 7.211 2.186 116 HA ALA 16 HA ALA 16 2.025 7.914 2.195 117 1HB ALA 16 1HB ALA 16 -0.021 9.691 3.533 118 2HB ALA 16 2HB ALA 16 0.907 10.101 2.090 119 3HB ALA 16 3HB ALA 16 1.732 9.865 3.631 120 H ALA 17 H ALA 17 0.264 5.660 3.001 121 HA ALA 17 HA ALA 17 0.442 5.774 5.933 122 1HB ALA 17 1HB ALA 17 -1.040 3.808 4.188 123 2HB ALA 17 2HB ALA 17 -1.751 5.218 4.974 124 3HB ALA 17 3HB ALA 17 -1.103 3.898 5.948 125 H ALA 18 H ALA 18 0.948 3.338 3.351 126 HA ALA 18 HA ALA 18 3.124 2.248 5.020 127 1HB ALA 18 1HB ALA 18 1.287 0.685 4.752 128 2HB ALA 18 2HB ALA 18 2.727 0.091 3.923 129 3HB ALA 18 3HB ALA 18 1.410 0.811 2.998 130 H SER 19 H SER 19 2.126 2.448 1.619 131 HA SER 19 HA SER 19 3.276 2.502 -0.322 132 1HB SER 19 2HB SER 19 5.108 4.202 -0.461 133 2HB SER 19 1HB SER 19 3.622 4.812 0.263 134 HG SER 19 HG SER 19 5.418 3.749 2.057 135 HA PRO 20 HA PRO 20 5.970 -1.046 0.556 136 1HB PRO 20 2HB PRO 20 6.006 -1.779 -2.126 137 2HB PRO 20 1HB PRO 20 4.837 -2.343 -0.927 138 1HG PRO 20 2HG PRO 20 4.587 -0.151 -2.941 139 2HG PRO 20 1HG PRO 20 3.377 -1.338 -2.419 140 1HD PRO 20 2HD PRO 20 3.300 1.184 -1.543 141 2HD PRO 20 1HD PRO 20 2.901 -0.171 -0.463 142 H GLY 21 H GLY 21 8.115 -1.117 0.580 143 1HA GLY 21 2HA GLY 21 9.814 -0.388 -1.541 144 2HA GLY 21 1HA GLY 21 9.710 0.960 -0.418 145 H GLY 22 H GLY 22 11.626 0.956 0.586 146 1HA GLY 22 2HA GLY 22 12.226 -1.231 2.379 147 2HA GLY 22 1HA GLY 22 13.412 -0.995 1.099 148 H ALA 23 H ALA 23 13.495 -0.599 4.100 149 HA ALA 23 HA ALA 23 14.040 2.292 4.162 150 1HB ALA 23 1HB ALA 23 12.337 1.545 5.744 151 2HB ALA 23 2HB ALA 23 13.761 2.164 6.581 152 3HB ALA 23 3HB ALA 23 13.493 0.426 6.466 153 H GLN 24 H GLN 24 16.132 2.263 3.358 154 HA GLN 24 HA GLN 24 18.181 0.852 4.878 155 1HB GLN 24 2HB GLN 24 18.521 2.811 2.595 156 2HB GLN 24 1HB GLN 24 19.762 1.762 3.263 157 1HG GLN 24 2HG GLN 24 18.441 -0.195 2.510 158 2HG GLN 24 1HG GLN 24 17.304 0.914 1.750 159 1HE2 GLN 24 1HE2 GLN 24 19.494 2.757 1.005 160 2HE2 GLN 24 2HE2 GLN 24 20.271 2.021 -0.351 161 H ALA 25 H ALA 25 18.357 1.778 6.861 162 HA ALA 25 HA ALA 25 18.148 4.674 7.100 163 1HB ALA 25 1HB ALA 25 17.981 4.266 9.503 164 2HB ALA 25 2HB ALA 25 18.290 2.550 9.238 165 3HB ALA 25 3HB ALA 25 16.815 3.287 8.611 166 HA PRO 26 HA PRO 26 22.561 5.115 7.702 167 1HB PRO 26 2HB PRO 26 22.553 7.702 8.455 168 2HB PRO 26 1HB PRO 26 22.251 7.223 6.779 169 1HG PRO 26 2HG PRO 26 20.296 7.985 8.916 170 2HG PRO 26 1HG PRO 26 20.321 8.452 7.205 171 1HD PRO 26 2HD PRO 26 18.731 6.469 8.198 172 2HD PRO 26 1HD PRO 26 19.328 6.501 6.529 173 H ALA 27 H ALA 27 23.702 6.661 9.615 174 HA ALA 27 HA ALA 27 24.280 6.820 11.799 175 1HB ALA 27 1HB ALA 27 22.559 6.792 13.523 176 2HB ALA 27 2HB ALA 27 21.401 6.122 12.374 177 3HB ALA 27 3HB ALA 27 22.040 7.749 12.135 178 H THR 28 H THR 28 24.017 4.144 10.261 179 HA THR 28 HA THR 28 23.996 2.182 12.346 180 HB THR 28 HB THR 28 25.225 0.850 10.413 181 HG1 THR 28 1HG THR 28 24.168 1.962 8.401 182 1HG2 THR 28 1HG2 THR 28 22.336 1.728 10.245 183 2HG2 THR 28 2HG2 THR 28 22.961 0.384 11.202 184 3HG2 THR 28 3HG2 THR 28 23.025 0.319 9.440 185 H THR 29 H THR 29 26.422 4.000 10.580 186 HA THR 29 HA THR 29 28.496 3.129 12.455 187 HB THR 29 HB THR 29 28.796 5.050 10.127 188 HG1 THR 29 1HG THR 29 28.354 2.375 10.088 189 1HG2 THR 29 1HG2 THR 29 31.163 4.410 10.252 190 2HG2 THR 29 2HG2 THR 29 30.809 3.358 11.621 191 3HG2 THR 29 3HG2 THR 29 30.610 5.104 11.777 192 H GLY 30 H GLY 30 29.692 4.807 13.653 193 1HA GLY 30 2HA GLY 30 27.944 6.641 14.915 194 2HA GLY 30 1HA GLY 30 29.676 6.522 15.171 195 H ALA 31 H ALA 31 27.233 7.838 12.989 196 HA ALA 31 HA ALA 31 28.715 10.333 12.848 197 1HB ALA 31 1HB ALA 31 29.609 9.070 10.951 198 2HB ALA 31 2HB ALA 31 28.638 10.438 10.402 199 3HB ALA 31 3HB ALA 31 27.973 8.805 10.350 200 H ALA 32 H ALA 32 27.312 11.990 12.966 201 HA ALA 32 HA ALA 32 24.499 11.418 13.103 202 1HB ALA 32 1HB ALA 32 25.956 14.044 13.365 203 2HB ALA 32 2HB ALA 32 25.536 12.957 14.689 204 3HB ALA 32 3HB ALA 32 24.263 13.754 13.763 205 H GLY 33 H GLY 33 23.994 10.809 10.977 206 1HA GLY 33 2HA GLY 33 23.641 13.105 9.177 207 2HA GLY 33 1HA GLY 33 24.460 11.674 8.564 208 H THR 34 H THR 34 21.700 11.844 10.761 209 HA THR 34 HA THR 34 20.240 10.007 9.077 210 HB THR 34 HB THR 34 19.159 11.316 11.566 211 HG1 THR 34 1HG THR 34 20.224 9.681 12.752 212 1HG2 THR 34 1HG2 THR 34 18.002 9.170 11.812 213 2HG2 THR 34 2HG2 THR 34 18.792 8.570 10.354 214 3HG2 THR 34 3HG2 THR 34 17.641 9.902 10.249 215 H ALA 35 H ALA 35 20.449 11.941 7.443 216 HA ALA 35 HA ALA 35 18.115 13.719 7.719 217 1HB ALA 35 1HB ALA 35 20.551 14.045 5.965 218 2HB ALA 35 2HB ALA 35 20.271 14.867 7.499 219 3HB ALA 35 3HB ALA 35 19.217 15.190 6.122 220 HA PRO 36 HA PRO 36 16.185 11.441 4.445 221 1HB PRO 36 2HB PRO 36 14.623 13.870 3.930 222 2HB PRO 36 1HB PRO 36 14.075 12.282 4.473 223 1HG PRO 36 2HG PRO 36 14.080 14.427 6.102 224 2HG PRO 36 1HG PRO 36 14.393 12.786 6.698 225 1HD PRO 36 2HD PRO 36 16.333 14.990 6.106 226 2HD PRO 36 1HD PRO 36 16.317 13.833 7.455 227 H THR 37 H THR 37 17.949 11.395 3.006 228 HA THR 37 HA THR 37 18.233 13.638 1.156 229 HB THR 37 HB THR 37 20.269 12.601 2.145 230 HG1 THR 37 1HG THR 37 19.856 12.617 -0.657 231 1HG2 THR 37 1HG2 THR 37 19.540 10.277 2.241 232 2HG2 THR 37 2HG2 THR 37 21.027 10.414 1.302 233 3HG2 THR 37 3HG2 THR 37 19.480 10.206 0.482 234 H ALA 38 H ALA 38 16.287 11.056 1.405 235 HA ALA 38 HA ALA 38 16.168 10.563 -1.494 236 1HB ALA 38 1HB ALA 38 15.235 8.821 0.787 237 2HB ALA 38 2HB ALA 38 16.657 8.555 -0.221 238 3HB ALA 38 3HB ALA 38 15.045 8.451 -0.927 239 HA PRO 39 HA PRO 39 12.287 12.676 -1.364 240 1HB PRO 39 2HB PRO 39 11.306 11.937 -3.755 241 2HB PRO 39 1HB PRO 39 12.680 13.040 -3.607 242 1HG PRO 39 2HG PRO 39 12.660 10.107 -4.209 243 2HG PRO 39 1HG PRO 39 13.627 11.394 -4.950 244 1HD PRO 39 2HD PRO 39 14.577 9.714 -3.015 245 2HD PRO 39 1HD PRO 39 15.181 11.363 -3.264 246 H GLN 40 H GLN 40 9.964 12.309 -1.479 247 HA GLN 40 HA GLN 40 9.235 9.742 -0.345 248 1HB GLN 40 2HB GLN 40 7.624 12.252 -0.851 249 2HB GLN 40 1HB GLN 40 6.979 10.803 -0.093 250 1HG GLN 40 2HG GLN 40 9.208 12.526 0.965 251 2HG GLN 40 1HG GLN 40 7.555 12.455 1.574 252 1HE2 GLN 40 1HE2 GLN 40 10.626 10.883 1.420 253 2HE2 GLN 40 2HE2 GLN 40 10.296 9.662 2.603 254 HA PRO 41 HA PRO 41 7.725 7.832 -4.068 255 1HB PRO 41 2HB PRO 41 5.623 6.732 -2.274 256 2HB PRO 41 1HB PRO 41 6.741 5.886 -3.350 257 1HG PRO 41 2HG PRO 41 7.095 5.860 -0.707 258 2HG PRO 41 1HG PRO 41 8.472 5.947 -1.822 259 1HD PRO 41 2HD PRO 41 7.223 8.107 -0.175 260 2HD PRO 41 1HD PRO 41 8.933 7.831 -0.565 261 H THR 42 H THR 42 6.740 9.231 -5.406 262 HA THR 42 HA THR 42 4.414 10.713 -4.476 263 HB THR 42 HB THR 42 5.881 10.991 -7.102 264 HG1 THR 42 1HG THR 42 6.888 11.418 -4.751 265 1HG2 THR 42 1HG2 THR 42 3.658 12.017 -7.054 266 2HG2 THR 42 2HG2 THR 42 4.918 13.249 -7.093 267 3HG2 THR 42 3HG2 THR 42 4.084 12.890 -5.580 268 H ALA 43 H ALA 43 2.421 10.229 -5.020 269 HA ALA 43 HA ALA 43 0.592 9.393 -6.051 270 1HB ALA 43 1HB ALA 43 1.457 10.473 -8.065 271 2HB ALA 43 2HB ALA 43 0.639 8.958 -8.449 272 3HB ALA 43 3HB ALA 43 2.401 9.031 -8.436 273 H ALA 44 H ALA 44 0.018 7.296 -7.590 274 HA ALA 44 HA ALA 44 1.489 4.972 -6.721 275 1HB ALA 44 1HB ALA 44 -0.442 3.923 -5.615 276 2HB ALA 44 2HB ALA 44 -1.346 5.430 -5.786 277 3HB ALA 44 3HB ALA 44 0.091 5.375 -4.767 278 HA PRO 45 HA PRO 45 -0.483 4.609 -10.833 279 1HB PRO 45 2HB PRO 45 1.625 3.427 -12.035 280 2HB PRO 45 1HB PRO 45 1.517 5.174 -11.820 281 1HG PRO 45 2HG PRO 45 3.050 3.158 -10.233 282 2HG PRO 45 1HG PRO 45 3.539 4.779 -10.758 283 1HD PRO 45 2HD PRO 45 2.656 4.210 -8.237 284 2HD PRO 45 1HD PRO 45 2.473 5.800 -9.002 285 H SER 46 H SER 46 0.811 2.396 -8.576 286 HA SER 46 HA SER 46 -0.949 0.309 -9.559 287 1HB SER 46 2HB SER 46 1.255 -0.127 -10.647 288 2HB SER 46 1HB SER 46 1.994 -0.218 -9.049 289 HG SER 46 HG SER 46 1.334 -2.196 -8.923 290 H ILE 47 H ILE 47 -1.594 -1.129 -7.915 291 HA ILE 47 HA ILE 47 -0.887 -0.219 -5.203 292 HB ILE 47 HB ILE 47 -3.389 -1.605 -6.175 293 1HG1 ILE 47 2HG1 ILE 47 -3.286 0.761 -6.781 294 2HG1 ILE 47 1HG1 ILE 47 -4.498 0.501 -5.536 295 1HG2 ILE 47 1HG2 ILE 47 -2.818 -2.373 -3.942 296 2HG2 ILE 47 2HG2 ILE 47 -4.232 -1.319 -3.890 297 3HG2 ILE 47 3HG2 ILE 47 -2.655 -0.704 -3.393 298 1HD1 ILE 47 1HD1 ILE 47 -2.946 1.317 -3.846 299 2HD1 ILE 47 2HD1 ILE 47 -3.222 2.516 -5.113 300 3HD1 ILE 47 3HD1 ILE 47 -1.729 1.578 -5.096 301 H ASP 48 H ASP 48 0.677 -1.525 -4.440 302 HA ASP 48 HA ASP 48 0.709 -4.335 -5.149 303 1HB ASP 48 2HB ASP 48 2.731 -2.638 -4.766 304 2HB ASP 48 1HB ASP 48 2.573 -3.211 -3.109 305 H VAL 49 H VAL 49 -0.702 -5.597 -4.112 306 HA VAL 49 HA VAL 49 -1.773 -4.794 -1.553 307 HB VAL 49 HB VAL 49 -2.408 -7.265 -3.175 308 1HG1 VAL 49 1HG1 VAL 49 -4.014 -5.884 -1.029 309 2HG1 VAL 49 2HG1 VAL 49 -3.121 -7.392 -0.832 310 3HG1 VAL 49 3HG1 VAL 49 -4.492 -7.317 -1.938 311 1HG2 VAL 49 1HG2 VAL 49 -2.802 -5.286 -4.511 312 2HG2 VAL 49 2HG2 VAL 49 -3.724 -4.552 -3.198 313 3HG2 VAL 49 3HG2 VAL 49 -4.340 -5.990 -4.013 314 H ALA 50 H ALA 50 0.635 -6.973 -2.678 315 HA ALA 50 HA ALA 50 0.523 -9.034 -0.828 316 1HB ALA 50 1HB ALA 50 1.949 -9.058 -2.814 317 2HB ALA 50 2HB ALA 50 2.847 -9.470 -1.352 318 3HB ALA 50 3HB ALA 50 3.008 -7.864 -2.065 319 HA PRO 51 HA PRO 51 3.405 -6.644 2.183 320 1HB PRO 51 2HB PRO 51 3.732 -3.973 1.876 321 2HB PRO 51 1HB PRO 51 4.794 -5.160 1.110 322 1HG PRO 51 2HG PRO 51 2.493 -3.644 -0.058 323 2HG PRO 51 1HG PRO 51 4.083 -3.991 -0.766 324 1HD PRO 51 2HD PRO 51 1.854 -5.404 -1.394 325 2HD PRO 51 1HD PRO 51 3.479 -6.114 -1.401 326 H ILE 52 H ILE 52 0.530 -5.143 0.889 327 HA ILE 52 HA ILE 52 -0.132 -3.639 3.222 328 HB ILE 52 HB ILE 52 -1.926 -4.574 0.969 329 1HG1 ILE 52 2HG1 ILE 52 -0.585 -1.902 1.452 330 2HG1 ILE 52 1HG1 ILE 52 -0.104 -3.079 0.233 331 1HG2 ILE 52 1HG2 ILE 52 -2.420 -2.496 3.095 332 2HG2 ILE 52 2HG2 ILE 52 -3.201 -4.074 2.988 333 3HG2 ILE 52 3HG2 ILE 52 -3.488 -2.856 1.742 334 1HD1 ILE 52 1HD1 ILE 52 -2.254 -2.797 -0.884 335 2HD1 ILE 52 2HD1 ILE 52 -1.398 -1.262 -0.736 336 3HD1 ILE 52 3HD1 ILE 52 -2.742 -1.630 0.346 337 H LEU 53 H LEU 53 -1.445 -6.662 1.859 338 HA LEU 53 HA LEU 53 -3.283 -6.991 3.997 339 1HB LEU 53 2HB LEU 53 -2.899 -8.107 1.474 340 2HB LEU 53 1HB LEU 53 -2.682 -9.441 2.586 341 HG LEU 53 HG LEU 53 -4.886 -9.137 3.501 342 1HD1 LEU 53 1HD1 LEU 53 -5.010 -6.722 3.477 343 2HD1 LEU 53 2HD1 LEU 53 -6.398 -7.399 2.625 344 3HD1 LEU 53 3HD1 LEU 53 -5.050 -6.714 1.715 345 1HD2 LEU 53 1HD2 LEU 53 -6.251 -9.527 1.488 346 2HD2 LEU 53 2HD2 LEU 53 -4.747 -10.448 1.466 347 3HD2 LEU 53 3HD2 LEU 53 -4.900 -8.987 0.489 348 H ASP 54 H ASP 54 -0.190 -8.561 3.207 349 HA ASP 54 HA ASP 54 -0.400 -10.470 5.290 350 1HB ASP 54 2HB ASP 54 1.017 -10.712 3.236 351 2HB ASP 54 1HB ASP 54 2.140 -9.551 3.939 352 H LYS 55 H LYS 55 1.060 -7.254 5.135 353 HA LYS 55 HA LYS 55 2.204 -7.525 7.766 354 1HB LYS 55 2HB LYS 55 2.174 -5.401 5.689 355 2HB LYS 55 1HB LYS 55 2.398 -4.890 7.355 356 1HG LYS 55 2HG LYS 55 4.566 -5.206 6.849 357 2HG LYS 55 1HG LYS 55 4.186 -6.870 7.275 358 1HD LYS 55 2HD LYS 55 3.994 -5.853 4.453 359 2HD LYS 55 1HD LYS 55 5.497 -6.478 5.126 360 1HE LYS 55 2HE LYS 55 2.894 -7.982 4.891 361 2HE LYS 55 1HE LYS 55 4.311 -8.196 3.869 362 1HZ LYS 55 1HZ LYS 55 4.236 -8.696 6.793 363 2HZ LYS 55 2HZ LYS 55 5.560 -8.960 5.775 364 3HZ LYS 55 3HZ LYS 55 4.152 -9.896 5.600 365 H ALA 56 H ALA 56 -0.804 -6.460 6.423 366 HA ALA 56 HA ALA 56 -1.698 -5.177 8.834 367 1HB ALA 56 1HB ALA 56 -3.279 -6.278 6.508 368 2HB ALA 56 2HB ALA 56 -2.728 -4.614 6.701 369 3HB ALA 56 3HB ALA 56 -3.930 -5.278 7.806 370 H VAL 57 H VAL 57 -1.368 -8.376 7.675 371 HA VAL 57 HA VAL 57 -3.323 -9.685 9.256 372 HB VAL 57 HB VAL 57 -0.816 -10.607 7.871 373 1HG1 VAL 57 1HG1 VAL 57 -1.344 -12.903 8.475 374 2HG1 VAL 57 2HG1 VAL 57 -2.664 -12.338 9.502 375 3HG1 VAL 57 3HG1 VAL 57 -0.994 -11.939 9.911 376 1HG2 VAL 57 1HG2 VAL 57 -2.770 -10.165 6.490 377 2HG2 VAL 57 2HG2 VAL 57 -3.741 -11.243 7.492 378 3HG2 VAL 57 3HG2 VAL 57 -2.417 -11.893 6.526 379 H LYS 58 H LYS 58 0.148 -9.117 9.743 380 HA LYS 58 HA LYS 58 0.252 -10.310 12.314 381 1HB LYS 58 2HB LYS 58 2.430 -9.113 12.518 382 2HB LYS 58 1HB LYS 58 2.285 -10.053 11.038 383 1HG LYS 58 2HG LYS 58 1.643 -7.948 9.860 384 2HG LYS 58 1HG LYS 58 2.017 -7.075 11.344 385 1HD LYS 58 2HD LYS 58 4.052 -8.895 10.140 386 2HD LYS 58 1HD LYS 58 3.803 -7.290 9.457 387 1HE LYS 58 2HE LYS 58 5.592 -7.162 11.046 388 2HE LYS 58 1HE LYS 58 4.196 -6.330 11.722 389 1HZ LYS 58 1HZ LYS 58 5.011 -9.108 12.405 390 2HZ LYS 58 2HZ LYS 58 3.751 -8.226 13.120 391 3HZ LYS 58 3HZ LYS 58 5.356 -7.739 13.341 392 H ALA 59 H ALA 59 -0.770 -7.231 11.147 393 HA ALA 59 HA ALA 59 -0.642 -5.891 13.690 394 1HB ALA 59 1HB ALA 59 -2.118 -5.121 11.171 395 2HB ALA 59 2HB ALA 59 -0.485 -4.621 11.608 396 3HB ALA 59 3HB ALA 59 -1.857 -4.086 12.578 397 H LYS 60 H LYS 60 -2.690 -8.173 12.277 398 HA LYS 60 HA LYS 60 -5.066 -7.387 13.746 399 1HB LYS 60 2HB LYS 60 -5.151 -8.553 11.503 400 2HB LYS 60 1HB LYS 60 -4.550 -10.001 12.302 401 1HG LYS 60 2HG LYS 60 -6.774 -10.440 12.376 402 2HG LYS 60 1HG LYS 60 -6.624 -9.535 13.884 403 1HD LYS 60 2HD LYS 60 -7.457 -8.391 11.223 404 2HD LYS 60 1HD LYS 60 -8.552 -8.801 12.538 405 1HE LYS 60 2HE LYS 60 -7.539 -7.109 13.947 406 2HE LYS 60 1HE LYS 60 -6.335 -6.758 12.708 407 1HZ LYS 60 1HZ LYS 60 -8.116 -5.997 11.251 408 2HZ LYS 60 2HZ LYS 60 -8.105 -5.121 12.703 409 3HZ LYS 60 3HZ LYS 60 -9.269 -6.325 12.453 410 H GLY 61 H GLY 61 -2.898 -10.217 13.715 411 1HA GLY 61 2HA GLY 61 -2.244 -10.236 16.378 412 2HA GLY 61 1HA GLY 61 -3.778 -11.084 16.302 413 H GLU 62 H GLU 62 -3.712 -12.695 14.254 414 HA GLU 62 HA GLU 62 -1.478 -14.481 14.921 415 1HB GLU 62 2HB GLU 62 -2.945 -16.302 14.136 416 2HB GLU 62 1HB GLU 62 -3.698 -15.365 15.420 417 1HG GLU 62 2HG GLU 62 -5.004 -14.141 13.760 418 2HG GLU 62 1HG GLU 62 -4.264 -15.099 12.479 419 H LYS 63 H LYS 63 -0.859 -16.027 13.076 420 HA LYS 63 HA LYS 63 -0.254 -14.354 10.778 421 1HB LYS 63 2HB LYS 63 1.347 -16.032 12.079 422 2HB LYS 63 1HB LYS 63 0.673 -17.186 10.936 423 1HG LYS 63 2HG LYS 63 2.046 -14.609 10.195 424 2HG LYS 63 1HG LYS 63 2.793 -16.203 10.167 425 1HD LYS 63 2HD LYS 63 1.922 -16.664 8.164 426 2HD LYS 63 1HD LYS 63 0.309 -16.154 8.668 427 1HE LYS 63 2HE LYS 63 0.832 -13.856 8.197 428 2HE LYS 63 1HE LYS 63 2.514 -14.263 7.856 429 1HZ LYS 63 1HZ LYS 63 1.761 -15.567 5.956 430 2HZ LYS 63 2HZ LYS 63 1.260 -13.953 5.819 431 3HZ LYS 63 3HZ LYS 63 0.153 -15.154 6.286 432 H LEU 64 H LEU 64 -2.106 -14.205 9.690 433 HA LEU 64 HA LEU 64 -3.663 -16.505 8.953 434 1HB LEU 64 2HB LEU 64 -3.890 -13.618 8.109 435 2HB LEU 64 1HB LEU 64 -5.082 -14.867 7.808 436 HG LEU 64 HG LEU 64 -4.261 -13.953 10.562 437 1HD1 LEU 64 1HD1 LEU 64 -6.678 -13.187 8.933 438 2HD1 LEU 64 2HD1 LEU 64 -5.342 -12.127 9.379 439 3HD1 LEU 64 3HD1 LEU 64 -6.405 -12.779 10.626 440 1HD2 LEU 64 1HD2 LEU 64 -6.540 -15.674 9.596 441 2HD2 LEU 64 2HD2 LEU 64 -6.291 -15.134 11.256 442 3HD2 LEU 64 3HD2 LEU 64 -5.125 -16.218 10.498 443 H GLU 65 H GLU 65 -4.160 -17.080 6.770 444 HA GLU 65 HA GLU 65 -2.032 -16.355 4.858 445 1HB GLU 65 2HB GLU 65 -3.290 -19.019 5.421 446 2HB GLU 65 1HB GLU 65 -2.631 -18.671 3.827 447 1HG GLU 65 2HG GLU 65 -1.107 -18.534 6.418 448 2HG GLU 65 1HG GLU 65 -1.040 -19.855 5.252 449 H TRP 66 H TRP 66 -3.206 -14.705 3.956 450 HA TRP 66 HA TRP 66 -5.894 -15.020 3.091 451 1HB TRP 66 2HB TRP 66 -5.480 -12.848 1.877 452 2HB TRP 66 1HB TRP 66 -5.187 -12.809 3.608 453 HD1 TRP 66 HD TRP 66 -2.769 -12.232 4.421 454 HE1 TRP 66 1HE TRP 66 -0.643 -11.418 3.232 455 HE3 TRP 66 3HE TRP 66 -4.169 -13.091 -0.420 456 HZ2 TRP 66 2HZ TRP 66 0.316 -11.169 0.600 457 HZ3 TRP 66 3HZ TRP 66 -2.585 -12.526 -2.213 458 HH2 TRP 66 HH TRP 66 -0.391 -11.584 -1.714 459 H ARG 67 H ARG 67 -3.093 -16.268 1.883 460 HA ARG 67 HA ARG 67 -3.585 -16.025 -0.918 461 1HB ARG 67 2HB ARG 67 -1.935 -18.141 0.468 462 2HB ARG 67 1HB ARG 67 -1.784 -17.591 -1.193 463 1HG ARG 67 2HG ARG 67 -1.061 -15.382 -0.364 464 2HG ARG 67 1HG ARG 67 -1.138 -16.007 1.285 465 1HD ARG 67 2HD ARG 67 0.460 -17.826 0.501 466 2HD ARG 67 1HD ARG 67 0.694 -16.845 -0.945 467 HE ARG 67 HE ARG 67 1.097 -15.252 1.345 468 1HH1 ARG 67 1HH1 ARG 67 2.609 -17.820 -0.493 469 2HH1 ARG 67 2HH1 ARG 67 4.204 -17.469 0.094 470 1HH2 ARG 67 1HH2 ARG 67 3.183 -14.766 2.093 471 2HH2 ARG 67 2HH2 ARG 67 4.535 -15.712 1.562 472 H THR 68 H THR 68 -4.577 -18.183 1.620 473 HA THR 68 HA THR 68 -5.906 -19.901 -0.368 474 HB THR 68 HB THR 68 -5.810 -21.689 1.386 475 HG1 THR 68 1HG THR 68 -5.436 -20.638 3.277 476 1HG2 THR 68 1HG2 THR 68 -3.428 -22.201 1.058 477 2HG2 THR 68 2HG2 THR 68 -3.160 -20.553 0.484 478 3HG2 THR 68 3HG2 THR 68 -4.191 -21.651 -0.435 479 H SER 69 H SER 69 -6.183 -18.385 2.810 480 HA SER 69 HA SER 69 -8.953 -19.281 3.025 481 1HB SER 69 2HB SER 69 -7.184 -17.917 5.065 482 2HB SER 69 1HB SER 69 -8.754 -18.654 5.373 483 HG SER 69 HG SER 69 -6.617 -19.882 5.734 484 H ILE 70 H ILE 70 -10.526 -17.975 2.398 485 HA ILE 70 HA ILE 70 -10.003 -15.206 1.822 486 HB ILE 70 HB ILE 70 -11.498 -16.608 0.411 487 1HG1 ILE 70 2HG1 ILE 70 -13.269 -14.879 0.141 488 2HG1 ILE 70 1HG1 ILE 70 -12.733 -14.145 1.648 489 1HG2 ILE 70 1HG2 ILE 70 -13.428 -16.384 2.713 490 2HG2 ILE 70 2HG2 ILE 70 -12.611 -17.858 2.190 491 3HG2 ILE 70 3HG2 ILE 70 -13.775 -17.068 1.123 492 1HD1 ILE 70 1HD1 ILE 70 -11.091 -14.447 -0.849 493 2HD1 ILE 70 2HD1 ILE 70 -10.543 -13.725 0.664 494 3HD1 ILE 70 3HD1 ILE 70 -11.838 -12.961 -0.260 495 H VAL 71 H VAL 71 -11.478 -17.041 4.381 496 HA VAL 71 HA VAL 71 -12.853 -14.921 5.661 497 HB VAL 71 HB VAL 71 -11.723 -17.425 6.930 498 1HG1 VAL 71 1HG1 VAL 71 -13.942 -15.580 7.817 499 2HG1 VAL 71 2HG1 VAL 71 -12.363 -15.765 8.583 500 3HG1 VAL 71 3HG1 VAL 71 -13.510 -17.103 8.594 501 1HG2 VAL 71 1HG2 VAL 71 -14.421 -16.944 5.663 502 2HG2 VAL 71 2HG2 VAL 71 -13.962 -18.387 6.570 503 3HG2 VAL 71 3HG2 VAL 71 -13.150 -18.004 5.051 504 H ASP 72 H ASP 72 -9.591 -16.111 5.749 505 HA ASP 72 HA ASP 72 -8.620 -14.883 8.045 506 1HB ASP 72 2HB ASP 72 -7.353 -15.775 5.481 507 2HB ASP 72 1HB ASP 72 -6.402 -14.877 6.653 508 H LEU 73 H LEU 73 -8.407 -13.688 4.680 509 HA LEU 73 HA LEU 73 -7.261 -11.223 5.499 510 1HB LEU 73 2HB LEU 73 -7.526 -10.515 3.188 511 2HB LEU 73 1HB LEU 73 -6.814 -12.111 3.299 512 HG LEU 73 HG LEU 73 -9.356 -12.845 2.937 513 1HD1 LEU 73 1HD1 LEU 73 -10.423 -11.366 1.295 514 2HD1 LEU 73 2HD1 LEU 73 -9.150 -10.172 1.560 515 3HD1 LEU 73 3HD1 LEU 73 -10.251 -10.595 2.873 516 1HD2 LEU 73 1HD2 LEU 73 -8.842 -13.052 0.551 517 2HD2 LEU 73 2HD2 LEU 73 -7.483 -13.538 1.564 518 3HD2 LEU 73 3HD2 LEU 73 -7.469 -11.968 0.759 519 H MET 74 H MET 74 -10.534 -12.295 5.013 520 HA MET 74 HA MET 74 -11.819 -9.826 4.781 521 1HB MET 74 2HB MET 74 -12.958 -11.938 4.366 522 2HB MET 74 1HB MET 74 -12.783 -12.394 6.053 523 1HG MET 74 2HG MET 74 -14.286 -10.666 6.741 524 2HG MET 74 1HG MET 74 -14.354 -10.012 5.106 525 1HE MET 74 1HE MET 74 -15.963 -14.225 6.074 526 2HE MET 74 2HE MET 74 -15.093 -13.247 7.257 527 3HE MET 74 3HE MET 74 -14.261 -13.839 5.819 528 H LYS 75 H LYS 75 -11.246 -11.771 7.738 529 HA LYS 75 HA LYS 75 -12.156 -9.679 9.447 530 1HB LYS 75 2HB LYS 75 -11.215 -11.038 11.293 531 2HB LYS 75 1HB LYS 75 -12.276 -11.958 10.241 532 1HG LYS 75 2HG LYS 75 -10.389 -13.016 9.185 533 2HG LYS 75 1HG LYS 75 -9.270 -12.001 10.096 534 1HD LYS 75 2HD LYS 75 -10.013 -13.002 12.177 535 2HD LYS 75 1HD LYS 75 -11.210 -13.967 11.313 536 1HE LYS 75 2HE LYS 75 -9.475 -15.184 10.169 537 2HE LYS 75 1HE LYS 75 -8.234 -14.143 10.863 538 1HZ LYS 75 1HZ LYS 75 -8.689 -15.013 13.024 539 2HZ LYS 75 2HZ LYS 75 -8.467 -16.325 11.981 540 3HZ LYS 75 3HZ LYS 75 -10.029 -15.888 12.466 541 H ALA 76 H ALA 76 -9.076 -10.581 8.086 542 HA ALA 76 HA ALA 76 -7.246 -9.400 9.751 543 1HB ALA 76 1HB ALA 76 -5.790 -9.160 7.809 544 2HB ALA 76 2HB ALA 76 -7.168 -9.408 6.738 545 3HB ALA 76 3HB ALA 76 -6.627 -10.713 7.796 546 H LEU 77 H LEU 77 -9.031 -7.796 7.112 547 HA LEU 77 HA LEU 77 -7.953 -5.233 7.581 548 1HB LEU 77 2HB LEU 77 -10.470 -6.188 6.255 549 2HB LEU 77 1HB LEU 77 -10.222 -4.478 6.535 550 HG LEU 77 HG LEU 77 -9.551 -4.893 4.306 551 1HD1 LEU 77 1HD1 LEU 77 -7.075 -4.795 6.013 552 2HD1 LEU 77 2HD1 LEU 77 -8.067 -3.418 5.539 553 3HD1 LEU 77 3HD1 LEU 77 -7.182 -4.330 4.315 554 1HD2 LEU 77 1HD2 LEU 77 -7.876 -7.161 5.365 555 2HD2 LEU 77 2HD2 LEU 77 -7.886 -6.589 3.696 556 3HD2 LEU 77 3HD2 LEU 77 -9.341 -7.303 4.395 557 H ASP 78 H ASP 78 -11.320 -6.196 8.315 558 HA ASP 78 HA ASP 78 -11.261 -5.578 11.045 559 1HB ASP 78 2HB ASP 78 -10.762 -3.263 10.111 560 2HB ASP 78 1HB ASP 78 -12.389 -3.272 9.438 561 H ILE 79 H ILE 79 -12.500 -7.344 9.037 562 HA ILE 79 HA ILE 79 -15.312 -6.531 9.125 563 HB ILE 79 HB ILE 79 -14.052 -8.811 7.592 564 1HG1 ILE 79 2HG1 ILE 79 -13.310 -6.624 6.770 565 2HG1 ILE 79 1HG1 ILE 79 -14.408 -7.377 5.616 566 1HG2 ILE 79 1HG2 ILE 79 -16.390 -9.240 8.109 567 2HG2 ILE 79 2HG2 ILE 79 -16.191 -8.899 6.391 568 3HG2 ILE 79 3HG2 ILE 79 -16.838 -7.661 7.466 569 1HD1 ILE 79 1HD1 ILE 79 -15.152 -5.228 7.589 570 2HD1 ILE 79 2HD1 ILE 79 -16.220 -5.961 6.390 571 3HD1 ILE 79 3HD1 ILE 79 -14.844 -4.990 5.869 572 H ASP 80 H ASP 80 -16.903 -7.732 10.042 573 HA ASP 80 HA ASP 80 -16.355 -8.929 12.488 574 1HB ASP 80 2HB ASP 80 -18.541 -7.897 11.552 575 2HB ASP 80 1HB ASP 80 -18.869 -9.514 10.939 576 H SER 81 H SER 81 -16.956 -10.369 9.355 577 HA SER 81 HA SER 81 -16.382 -12.315 8.410 578 1HB SER 81 2HB SER 81 -14.421 -13.499 9.217 579 2HB SER 81 1HB SER 81 -14.156 -11.761 9.268 580 HG SER 81 HG SER 81 -15.033 -12.216 11.609 581 H SER 82 H SER 82 -18.428 -12.283 10.759 582 HA SER 82 HA SER 82 -18.387 -15.059 11.556 583 1HB SER 82 2HB SER 82 -20.553 -14.427 12.696 584 2HB SER 82 1HB SER 82 -19.144 -13.497 13.208 585 HG SER 82 HG SER 82 -20.112 -11.766 12.547 586 H LEU 83 H LEU 83 -20.926 -15.930 11.506 587 HA LEU 83 HA LEU 83 -21.219 -16.960 8.946 588 1HB LEU 83 2HB LEU 83 -22.245 -17.843 11.064 589 2HB LEU 83 1HB LEU 83 -23.454 -16.581 10.949 590 HG LEU 83 HG LEU 83 -24.121 -18.913 10.162 591 1HD1 LEU 83 1HD1 LEU 83 -25.453 -16.943 9.634 592 2HD1 LEU 83 2HD1 LEU 83 -25.450 -18.091 8.295 593 3HD1 LEU 83 3HD1 LEU 83 -24.453 -16.640 8.211 594 1HD2 LEU 83 1HD2 LEU 83 -22.099 -19.469 8.940 595 2HD2 LEU 83 2HD2 LEU 83 -22.391 -18.140 7.817 596 3HD2 LEU 83 3HD2 LEU 83 -23.500 -19.511 7.868 597 H SER 84 H SER 84 -22.754 -14.124 10.387 598 HA SER 84 HA SER 84 -24.579 -13.605 8.318 599 1HB SER 84 2HB SER 84 -24.643 -12.584 10.606 600 2HB SER 84 1HB SER 84 -23.280 -11.568 10.144 601 HG SER 84 HG SER 84 -25.808 -11.635 8.841 602 H ALA 85 H ALA 85 -21.202 -12.764 8.734 603 HA ALA 85 HA ALA 85 -21.087 -10.837 6.650 604 1HB ALA 85 1HB ALA 85 -18.840 -12.443 7.864 605 2HB ALA 85 2HB ALA 85 -19.432 -10.891 8.453 606 3HB ALA 85 3HB ALA 85 -18.666 -10.998 6.869 607 H ARG 86 H ARG 86 -20.052 -14.250 6.817 608 HA ARG 86 HA ARG 86 -19.288 -14.380 4.099 609 1HB ARG 86 2HB ARG 86 -20.055 -16.565 6.032 610 2HB ARG 86 1HB ARG 86 -19.474 -16.876 4.403 611 1HG ARG 86 2HG ARG 86 -17.466 -16.988 5.368 612 2HG ARG 86 1HG ARG 86 -17.540 -15.226 5.354 613 1HD ARG 86 2HD ARG 86 -16.900 -15.996 7.552 614 2HD ARG 86 1HD ARG 86 -18.509 -15.276 7.620 615 HE ARG 86 HE ARG 86 -19.183 -17.794 7.344 616 1HH1 ARG 86 1HH1 ARG 86 -16.692 -16.425 9.394 617 2HH1 ARG 86 2HH1 ARG 86 -16.703 -17.767 10.503 618 1HH2 ARG 86 1HH2 ARG 86 -19.219 -19.527 8.809 619 2HH2 ARG 86 2HH2 ARG 86 -18.174 -19.497 10.202 620 H LYS 87 H LYS 87 -22.335 -14.637 5.696 621 HA LYS 87 HA LYS 87 -23.801 -16.017 3.738 622 1HB LYS 87 2HB LYS 87 -24.588 -15.601 6.048 623 2HB LYS 87 1HB LYS 87 -24.761 -13.895 5.668 624 1HG LYS 87 2HG LYS 87 -26.916 -14.912 5.583 625 2HG LYS 87 1HG LYS 87 -26.433 -14.503 3.937 626 1HD LYS 87 2HD LYS 87 -27.442 -16.699 3.967 627 2HD LYS 87 1HD LYS 87 -25.726 -16.842 3.592 628 1HE LYS 87 2HE LYS 87 -25.238 -17.542 5.836 629 2HE LYS 87 1HE LYS 87 -26.902 -17.237 6.335 630 1HZ LYS 87 1HZ LYS 87 -26.261 -19.175 4.193 631 2HZ LYS 87 2HZ LYS 87 -27.677 -19.053 5.122 632 3HZ LYS 87 3HZ LYS 87 -26.244 -19.625 5.826 633 H GLU 88 H GLU 88 -23.573 -12.491 4.332 634 HA GLU 88 HA GLU 88 -25.036 -11.845 1.988 635 1HB GLU 88 2HB GLU 88 -24.347 -9.523 2.397 636 2HB GLU 88 1HB GLU 88 -24.976 -10.286 3.847 637 1HG GLU 88 2HG GLU 88 -22.708 -10.594 4.681 638 2HG GLU 88 1HG GLU 88 -22.061 -9.867 3.208 639 H LEU 89 H LEU 89 -21.585 -11.995 2.720 640 HA LEU 89 HA LEU 89 -20.593 -10.901 0.357 641 1HB LEU 89 2HB LEU 89 -19.205 -11.356 2.307 642 2HB LEU 89 1HB LEU 89 -19.426 -13.079 2.088 643 HG LEU 89 HG LEU 89 -18.149 -13.008 0.008 644 1HD1 LEU 89 1HD1 LEU 89 -17.811 -10.072 0.589 645 2HD1 LEU 89 2HD1 LEU 89 -18.764 -10.761 -0.723 646 3HD1 LEU 89 3HD1 LEU 89 -17.014 -10.974 -0.698 647 1HD2 LEU 89 1HD2 LEU 89 -15.966 -12.475 0.963 648 2HD2 LEU 89 2HD2 LEU 89 -16.967 -13.364 2.111 649 3HD2 LEU 89 3HD2 LEU 89 -16.753 -11.623 2.293 650 H ALA 90 H ALA 90 -21.507 -14.237 1.105 651 HA ALA 90 HA ALA 90 -20.637 -15.315 -1.368 652 1HB ALA 90 1HB ALA 90 -22.646 -16.407 0.592 653 2HB ALA 90 2HB ALA 90 -20.904 -16.682 0.628 654 3HB ALA 90 3HB ALA 90 -21.867 -17.310 -0.708 655 H LYS 91 H LYS 91 -23.794 -14.155 -0.210 656 HA LYS 91 HA LYS 91 -25.188 -15.133 -2.499 657 1HB LYS 91 2HB LYS 91 -27.138 -14.107 -1.609 658 2HB LYS 91 1HB LYS 91 -26.229 -14.742 -0.247 659 1HG LYS 91 2HG LYS 91 -25.371 -12.480 0.204 660 2HG LYS 91 1HG LYS 91 -26.357 -11.869 -1.129 661 1HD LYS 91 2HD LYS 91 -28.353 -12.856 0.058 662 2HD LYS 91 1HD LYS 91 -27.294 -13.122 1.443 663 1HE LYS 91 2HE LYS 91 -28.514 -11.059 1.734 664 2HE LYS 91 1HE LYS 91 -26.804 -10.702 1.491 665 1HZ LYS 91 1HZ LYS 91 -28.772 -10.640 -0.724 666 2HZ LYS 91 2HZ LYS 91 -27.206 -9.982 -0.699 667 3HZ LYS 91 3HZ LYS 91 -28.439 -9.283 0.234 668 H GLU 92 H GLU 92 -23.552 -12.135 -1.756 669 HA GLU 92 HA GLU 92 -24.671 -10.636 -3.913 670 1HB GLU 92 2HB GLU 92 -22.041 -10.277 -2.462 671 2HB GLU 92 1HB GLU 92 -22.735 -9.122 -3.589 672 1HG GLU 92 2HG GLU 92 -23.898 -9.967 -0.949 673 2HG GLU 92 1HG GLU 92 -23.119 -8.431 -1.309 674 H LEU 93 H LEU 93 -22.134 -12.980 -3.612 675 HA LEU 93 HA LEU 93 -21.008 -12.415 -6.223 676 1HB LEU 93 2HB LEU 93 -20.493 -14.664 -4.274 677 2HB LEU 93 1HB LEU 93 -19.614 -14.421 -5.772 678 HG LEU 93 HG LEU 93 -19.663 -12.466 -3.473 679 1HD1 LEU 93 1HD1 LEU 93 -17.535 -14.414 -4.339 680 2HD1 LEU 93 2HD1 LEU 93 -18.506 -14.516 -2.870 681 3HD1 LEU 93 3HD1 LEU 93 -17.362 -13.191 -3.080 682 1HD2 LEU 93 1HD2 LEU 93 -19.321 -11.404 -5.648 683 2HD2 LEU 93 2HD2 LEU 93 -18.007 -12.528 -5.994 684 3HD2 LEU 93 3HD2 LEU 93 -17.849 -11.366 -4.678 685 H GLY 94 H GLY 94 -23.354 -14.563 -4.816 686 1HA GLY 94 2HA GLY 94 -24.992 -15.269 -6.641 687 2HA GLY 94 1HA GLY 94 -23.579 -16.004 -7.383 688 H TYR 95 H TYR 95 -22.546 -16.669 -4.651 689 HA TYR 95 HA TYR 95 -22.475 -18.456 -3.265 690 1HB TYR 95 2HB TYR 95 -24.515 -17.308 -2.384 691 2HB TYR 95 1HB TYR 95 -25.495 -18.357 -3.401 692 HD1 TYR 95 1HD TYR 95 -22.816 -18.609 -0.805 693 HD2 TYR 95 2HD TYR 95 -26.377 -20.260 -2.449 694 HE1 TYR 95 1HE TYR 95 -22.876 -20.263 1.009 695 HE2 TYR 95 2HE TYR 95 -26.446 -21.925 -0.639 696 HH TYR 95 HH TYR 95 -24.974 -22.972 0.975 697 H SER 96 H SER 96 -21.541 -19.752 -4.944 698 HA SER 96 HA SER 96 -23.380 -21.736 -6.088 699 1HB SER 96 2HB SER 96 -20.549 -21.044 -6.918 700 2HB SER 96 1HB SER 96 -21.623 -22.181 -7.738 701 HG SER 96 HG SER 96 -23.044 -20.062 -7.600 702 H GLY 97 H GLY 97 -22.037 -21.540 -3.348 703 1HA GLY 97 2HA GLY 97 -20.727 -24.178 -3.372 704 2HA GLY 97 1HA GLY 97 -20.501 -22.957 -2.124 705 H ASP 98 H ASP 98 -22.480 -25.543 -3.272 706 HA ASP 98 HA ASP 98 -24.448 -25.008 -1.155 707 1HB ASP 98 2HB ASP 98 -25.344 -25.139 -3.450 708 2HB ASP 98 1HB ASP 98 -24.724 -26.781 -3.590 709 H MET 99 H MET 99 -23.901 -28.150 -2.689 710 HA MET 99 HA MET 99 -23.659 -29.272 -0.003 711 1HB MET 99 2HB MET 99 -24.176 -31.412 -0.982 712 2HB MET 99 1HB MET 99 -25.329 -30.221 -1.560 713 1HG MET 99 2HG MET 99 -24.143 -30.075 -3.676 714 2HG MET 99 1HG MET 99 -22.943 -31.228 -3.094 715 1HE MET 99 1HE MET 99 -24.375 -31.678 -5.832 716 2HE MET 99 2HE MET 99 -24.837 -33.377 -5.734 717 3HE MET 99 3HE MET 99 -23.261 -32.857 -5.136 718 H ASN 100 H ASN 100 -21.490 -27.949 -1.743 719 HA ASN 100 HA ASN 100 -19.498 -30.083 -1.786 720 1HB ASN 100 2HB ASN 100 -18.017 -28.226 -2.692 721 2HB ASN 100 1HB ASN 100 -19.387 -28.680 -3.701 722 1HD2 ASN 100 1HD2 ASN 100 -18.119 -26.261 -1.517 723 2HD2 ASN 100 2HD2 ASN 100 -19.180 -24.992 -2.009 724 H ASP 101 H ASP 101 -20.789 -28.311 0.515 725 HA ASP 101 HA ASP 101 -20.247 -27.852 2.660 726 1HB ASP 101 2HB ASP 101 -17.754 -29.413 1.982 727 2HB ASP 101 1HB ASP 101 -18.141 -28.838 3.600 728 H SER 102 H SER 102 -18.143 -27.027 4.013 729 HA SER 102 HA SER 102 -17.735 -24.390 3.079 730 1HB SER 102 2HB SER 102 -16.247 -25.845 5.276 731 2HB SER 102 1HB SER 102 -16.377 -24.099 5.069 732 HG SER 102 HG SER 102 -18.790 -25.477 5.198 733 H ALA 103 H ALA 103 -16.032 -27.330 2.608 734 HA ALA 103 HA ALA 103 -13.412 -26.549 2.226 735 1HB ALA 103 1HB ALA 103 -14.168 -28.876 2.225 736 2HB ALA 103 2HB ALA 103 -13.181 -28.515 0.810 737 3HB ALA 103 3HB ALA 103 -14.936 -28.625 0.655 738 H SER 104 H SER 104 -15.648 -27.146 -0.486 739 HA SER 104 HA SER 104 -14.037 -25.632 -2.285 740 1HB SER 104 2HB SER 104 -16.893 -26.489 -2.750 741 2HB SER 104 1HB SER 104 -15.611 -26.270 -3.942 742 HG SER 104 HG SER 104 -15.280 -28.326 -3.680 743 H MET 105 H MET 105 -16.465 -24.839 -0.045 744 HA MET 105 HA MET 105 -17.636 -22.605 -1.327 745 1HB MET 105 2HB MET 105 -18.505 -23.876 0.703 746 2HB MET 105 1HB MET 105 -17.325 -22.990 1.654 747 1HG MET 105 2HG MET 105 -19.409 -21.617 -0.016 748 2HG MET 105 1HG MET 105 -19.701 -22.121 1.645 749 1HE MET 105 1HE MET 105 -19.348 -18.266 2.055 750 2HE MET 105 2HE MET 105 -20.324 -19.689 2.419 751 3HE MET 105 3HE MET 105 -20.138 -19.149 0.750 752 H ASN 106 H ASN 106 -14.973 -22.901 1.032 753 HA ASN 106 HA ASN 106 -14.310 -20.149 1.036 754 1HB ASN 106 2HB ASN 106 -13.505 -21.498 2.840 755 2HB ASN 106 1HB ASN 106 -12.704 -22.611 1.735 756 1HD2 ASN 106 1HD2 ASN 106 -10.717 -22.093 0.903 757 2HD2 ASN 106 2HD2 ASN 106 -9.779 -20.743 1.443 758 H ILE 107 H ILE 107 -13.366 -22.830 -1.016 759 HA ILE 107 HA ILE 107 -11.184 -21.555 -2.287 760 HB ILE 107 HB ILE 107 -12.947 -23.780 -3.322 761 1HG1 ILE 107 2HG1 ILE 107 -10.268 -23.890 -1.914 762 2HG1 ILE 107 1HG1 ILE 107 -11.820 -24.283 -1.175 763 1HG2 ILE 107 1HG2 ILE 107 -11.047 -24.304 -4.799 764 2HG2 ILE 107 2HG2 ILE 107 -10.227 -22.847 -4.238 765 3HG2 ILE 107 3HG2 ILE 107 -11.741 -22.718 -5.135 766 1HD1 ILE 107 1HD1 ILE 107 -12.094 -26.130 -2.761 767 2HD1 ILE 107 2HD1 ILE 107 -10.623 -26.296 -1.802 768 3HD1 ILE 107 3HD1 ILE 107 -10.527 -25.741 -3.473 769 H TRP 108 H TRP 108 -14.521 -22.107 -3.421 770 HA TRP 108 HA TRP 108 -14.279 -20.736 -5.843 771 1HB TRP 108 2HB TRP 108 -16.118 -22.255 -5.432 772 2HB TRP 108 1HB TRP 108 -16.701 -21.256 -4.107 773 HD1 TRP 108 HD TRP 108 -16.561 -21.343 -7.947 774 HE1 TRP 108 1HE TRP 108 -18.315 -19.694 -8.867 775 HE3 TRP 108 3HE TRP 108 -18.011 -19.171 -3.551 776 HZ2 TRP 108 2HZ TRP 108 -20.071 -17.730 -7.856 777 HZ3 TRP 108 3HZ TRP 108 -19.732 -17.414 -3.615 778 HH2 TRP 108 HH TRP 108 -20.737 -16.708 -5.722 779 H LEU 109 H LEU 109 -15.341 -19.601 -2.669 780 HA LEU 109 HA LEU 109 -16.189 -17.050 -3.569 781 1HB LEU 109 2HB LEU 109 -16.943 -18.239 -1.484 782 2HB LEU 109 1HB LEU 109 -15.394 -17.846 -0.767 783 HG LEU 109 HG LEU 109 -17.000 -15.581 -1.834 784 1HD1 LEU 109 1HD1 LEU 109 -18.692 -16.928 -0.697 785 2HD1 LEU 109 2HD1 LEU 109 -18.321 -15.469 0.225 786 3HD1 LEU 109 3HD1 LEU 109 -17.664 -17.025 0.733 787 1HD2 LEU 109 1HD2 LEU 109 -15.361 -15.998 0.663 788 2HD2 LEU 109 2HD2 LEU 109 -16.076 -14.476 0.132 789 3HD2 LEU 109 3HD2 LEU 109 -14.801 -15.233 -0.823 790 H HIS 110 H HIS 110 -13.145 -18.330 -2.379 791 HA HIS 110 HA HIS 110 -11.813 -15.868 -1.970 792 1HB HIS 110 2HB HIS 110 -11.009 -18.085 -1.137 793 2HB HIS 110 1HB HIS 110 -10.593 -18.516 -2.792 794 HD1 HIS 110 1HD HIS 110 -8.502 -17.356 -3.832 795 HD2 HIS 110 2HD HIS 110 -9.245 -16.343 0.137 796 HE1 HIS 110 1HE HIS 110 -6.406 -16.241 -3.010 797 HE2 HIS 110 2HE HIS 110 -6.843 -15.705 -0.587 798 H LYS 111 H LYS 111 -12.286 -17.914 -4.784 799 HA LYS 111 HA LYS 111 -10.532 -16.603 -6.570 800 1HB LYS 111 2HB LYS 111 -13.158 -17.911 -7.309 801 2HB LYS 111 1HB LYS 111 -11.740 -17.714 -8.326 802 1HG LYS 111 2HG LYS 111 -11.730 -19.395 -5.839 803 2HG LYS 111 1HG LYS 111 -12.179 -20.028 -7.420 804 1HD LYS 111 2HD LYS 111 -9.537 -18.714 -6.787 805 2HD LYS 111 1HD LYS 111 -9.812 -20.457 -6.812 806 1HE LYS 111 2HE LYS 111 -10.537 -20.254 -9.177 807 2HE LYS 111 1HE LYS 111 -10.101 -18.547 -9.124 808 1HZ LYS 111 1HZ LYS 111 -8.318 -20.904 -8.967 809 2HZ LYS 111 2HZ LYS 111 -7.815 -19.381 -8.422 810 3HZ LYS 111 3HZ LYS 111 -8.256 -19.591 -10.046 811 H GLN 112 H GLN 112 -13.995 -16.209 -5.923 812 HA GLN 112 HA GLN 112 -14.412 -14.284 -7.954 813 1HB GLN 112 2HB GLN 112 -16.011 -15.839 -6.312 814 2HB GLN 112 1HB GLN 112 -16.362 -14.194 -5.797 815 1HG GLN 112 2HG GLN 112 -17.893 -14.917 -7.534 816 2HG GLN 112 1HG GLN 112 -16.894 -13.576 -8.091 817 1HE2 GLN 112 1HE2 GLN 112 -15.782 -16.881 -7.797 818 2HE2 GLN 112 2HE2 GLN 112 -15.562 -17.166 -9.489 819 H VAL 113 H VAL 113 -13.933 -13.983 -4.450 820 HA VAL 113 HA VAL 113 -14.377 -11.208 -4.311 821 HB VAL 113 HB VAL 113 -12.731 -13.004 -2.528 822 1HG1 VAL 113 1HG1 VAL 113 -13.576 -10.148 -2.032 823 2HG1 VAL 113 2HG1 VAL 113 -11.928 -10.694 -2.338 824 3HG1 VAL 113 3HG1 VAL 113 -12.770 -11.208 -0.875 825 1HG2 VAL 113 1HG2 VAL 113 -15.099 -13.512 -2.554 826 2HG2 VAL 113 2HG2 VAL 113 -15.489 -11.820 -2.249 827 3HG2 VAL 113 3HG2 VAL 113 -14.660 -12.768 -1.016 828 H MET 114 H MET 114 -11.502 -13.099 -5.072 829 HA MET 114 HA MET 114 -9.677 -10.931 -4.969 830 1HB MET 114 2HB MET 114 -9.601 -13.725 -5.703 831 2HB MET 114 1HB MET 114 -8.693 -12.755 -6.857 832 1HG MET 114 2HG MET 114 -7.246 -13.543 -5.093 833 2HG MET 114 1HG MET 114 -7.397 -11.790 -5.026 834 1HE MET 114 1HE MET 114 -6.433 -11.666 -2.599 835 2HE MET 114 2HE MET 114 -6.180 -13.412 -2.624 836 3HE MET 114 3HE MET 114 -7.004 -12.659 -1.259 837 H SER 115 H SER 115 -11.812 -12.186 -7.424 838 HA SER 115 HA SER 115 -10.797 -10.677 -9.601 839 1HB SER 115 2HB SER 115 -12.193 -12.635 -9.978 840 2HB SER 115 1HB SER 115 -13.532 -11.889 -9.111 841 HG SER 115 HG SER 115 -14.055 -11.357 -11.096 842 H LYS 116 H LYS 116 -12.813 -9.933 -6.905 843 HA LYS 116 HA LYS 116 -13.795 -7.458 -8.090 844 1HB LYS 116 2HB LYS 116 -14.183 -8.479 -5.270 845 2HB LYS 116 1HB LYS 116 -15.075 -7.187 -6.058 846 1HG LYS 116 2HG LYS 116 -15.152 -10.103 -6.806 847 2HG LYS 116 1HG LYS 116 -16.400 -9.213 -5.932 848 1HD LYS 116 2HD LYS 116 -16.658 -7.735 -7.906 849 2HD LYS 116 1HD LYS 116 -15.495 -8.746 -8.771 850 1HE LYS 116 2HE LYS 116 -16.961 -10.671 -8.525 851 2HE LYS 116 1HE LYS 116 -18.110 -9.701 -7.603 852 1HZ LYS 116 1HZ LYS 116 -18.836 -9.907 -9.870 853 2HZ LYS 116 2HZ LYS 116 -17.356 -9.309 -10.450 854 3HZ LYS 116 3HZ LYS 116 -18.397 -8.293 -9.577 855 H LEU 117 H LEU 117 -11.046 -8.511 -6.566 856 HA LEU 117 HA LEU 117 -10.566 -5.946 -5.227 857 1HB LEU 117 2HB LEU 117 -9.534 -8.707 -4.792 858 2HB LEU 117 1HB LEU 117 -8.547 -7.342 -4.311 859 HG LEU 117 HG LEU 117 -11.331 -7.941 -3.315 860 1HD1 LEU 117 1HD1 LEU 117 -9.680 -9.478 -2.431 861 2HD1 LEU 117 2HD1 LEU 117 -10.171 -8.337 -1.180 862 3HD1 LEU 117 3HD1 LEU 117 -8.624 -8.132 -1.999 863 1HD2 LEU 117 1HD2 LEU 117 -10.941 -6.066 -1.790 864 2HD2 LEU 117 2HD2 LEU 117 -10.898 -5.542 -3.476 865 3HD2 LEU 117 3HD2 LEU 117 -9.394 -5.746 -2.578 866 H VAL 118 H VAL 118 -8.487 -8.393 -6.779 867 HA VAL 118 HA VAL 118 -6.422 -6.486 -7.141 868 HB VAL 118 HB VAL 118 -5.184 -8.244 -8.273 869 1HG1 VAL 118 1HG1 VAL 118 -5.180 -9.902 -6.480 870 2HG1 VAL 118 2HG1 VAL 118 -6.723 -9.281 -5.898 871 3HG1 VAL 118 3HG1 VAL 118 -5.284 -8.262 -5.837 872 1HG2 VAL 118 1HG2 VAL 118 -6.174 -10.445 -8.691 873 2HG2 VAL 118 2HG2 VAL 118 -6.987 -9.189 -9.626 874 3HG2 VAL 118 3HG2 VAL 118 -7.746 -9.837 -8.173 875 H ALA 119 H ALA 119 -9.146 -7.249 -9.032 876 HA ALA 119 HA ALA 119 -8.099 -6.579 -11.589 877 1HB ALA 119 1HB ALA 119 -10.153 -7.896 -11.292 878 2HB ALA 119 2HB ALA 119 -10.411 -6.483 -12.316 879 3HB ALA 119 3HB ALA 119 -10.959 -6.470 -10.640 880 H ASN 120 H ASN 120 -8.704 -4.705 -8.861 881 HA ASN 120 HA ASN 120 -9.343 -2.288 -10.375 882 1HB ASN 120 2HB ASN 120 -9.050 -2.770 -7.405 883 2HB ASN 120 1HB ASN 120 -9.434 -1.212 -8.118 884 1HD2 ASN 120 1HD2 ASN 120 -10.592 -4.333 -7.273 885 2HD2 ASN 120 2HD2 ASN 120 -12.258 -4.065 -7.649 886 H GLY 121 H GLY 121 -6.655 -3.817 -10.288 887 1HA GLY 121 2HA GLY 121 -4.631 -2.753 -11.002 888 2HA GLY 121 1HA GLY 121 -5.059 -1.363 -10.018 889 H GLY 122 H GLY 122 -5.550 -4.421 -8.596 890 1HA GLY 122 2HA GLY 122 -3.455 -3.889 -6.663 891 2HA GLY 122 1HA GLY 122 -4.669 -5.159 -6.572 892 H LYS 123 H LYS 123 -1.515 -4.698 -6.735 893 HA LYS 123 HA LYS 123 -0.822 -6.837 -8.580 894 1HB LYS 123 2HB LYS 123 0.587 -4.801 -8.393 895 2HB LYS 123 1HB LYS 123 0.891 -5.175 -6.711 896 1HG LYS 123 2HG LYS 123 1.691 -7.033 -8.926 897 2HG LYS 123 1HG LYS 123 2.724 -5.715 -8.375 898 1HD LYS 123 2HD LYS 123 2.455 -6.716 -6.037 899 2HD LYS 123 1HD LYS 123 1.802 -8.140 -6.849 900 1HE LYS 123 2HE LYS 123 4.108 -8.556 -6.502 901 2HE LYS 123 1HE LYS 123 3.915 -8.188 -8.217 902 1HZ LYS 123 1HZ LYS 123 4.673 -5.942 -7.802 903 2HZ LYS 123 2HZ LYS 123 5.828 -7.050 -7.250 904 3HZ LYS 123 3HZ LYS 123 4.815 -6.258 -6.145 905 H LEU 124 H LEU 124 -0.404 -8.880 -7.986 906 HA LEU 124 HA LEU 124 -0.229 -9.482 -5.130 907 1HB LEU 124 2HB LEU 124 -1.487 -11.622 -5.593 908 2HB LEU 124 1HB LEU 124 -2.427 -10.154 -5.588 909 HG LEU 124 HG LEU 124 -3.118 -11.815 -7.309 910 1HD1 LEU 124 1HD1 LEU 124 -3.338 -10.235 -9.160 911 2HD1 LEU 124 2HD1 LEU 124 -2.146 -9.183 -8.400 912 3HD1 LEU 124 3HD1 LEU 124 -3.688 -9.482 -7.604 913 1HD2 LEU 124 1HD2 LEU 124 -1.782 -12.048 -9.354 914 2HD2 LEU 124 2HD2 LEU 124 -0.972 -12.726 -7.942 915 3HD2 LEU 124 3HD2 LEU 124 -0.467 -11.162 -8.583 916 HA PRO 125 HA PRO 125 3.191 -12.138 -6.240 917 1HB PRO 125 2HB PRO 125 2.293 -14.146 -4.304 918 2HB PRO 125 1HB PRO 125 3.733 -13.125 -4.257 919 1HG PRO 125 2HG PRO 125 1.665 -12.783 -2.557 920 2HG PRO 125 1HG PRO 125 2.658 -11.432 -3.135 921 1HD PRO 125 2HD PRO 125 -0.048 -12.324 -4.057 922 2HD PRO 125 1HD PRO 125 0.558 -10.677 -3.771 923 HA PRO 126 HA PRO 126 1.690 -15.296 -8.967 924 1HB PRO 126 2HB PRO 126 3.850 -17.139 -8.227 925 2HB PRO 126 1HB PRO 126 3.569 -16.298 -9.753 926 1HG PRO 126 2HG PRO 126 5.600 -15.641 -8.115 927 2HG PRO 126 1HG PRO 126 4.751 -14.430 -9.093 928 1HD PRO 126 2HD PRO 126 4.431 -15.078 -6.184 929 2HD PRO 126 1HD PRO 126 4.492 -13.492 -6.984 930 H GLU 127 H GLU 127 0.892 -15.468 -6.056 931 HA GLU 127 HA GLU 127 0.559 -18.343 -5.665 932 1HB GLU 127 2HB GLU 127 -0.294 -16.090 -3.843 933 2HB GLU 127 1HB GLU 127 -0.145 -17.789 -3.429 934 1HG GLU 127 2HG GLU 127 2.194 -16.104 -4.262 935 2HG GLU 127 1HG GLU 127 1.662 -16.243 -2.590 936 H ILE 128 H ILE 128 -1.245 -15.405 -6.377 937 HA ILE 128 HA ILE 128 -3.714 -16.991 -6.579 938 HB ILE 128 HB ILE 128 -3.589 -14.252 -5.312 939 1HG1 ILE 128 2HG1 ILE 128 -4.648 -15.923 -3.417 940 2HG1 ILE 128 1HG1 ILE 128 -3.413 -16.944 -4.150 941 1HG2 ILE 128 1HG2 ILE 128 -5.968 -14.706 -4.766 942 2HG2 ILE 128 2HG2 ILE 128 -5.880 -16.135 -5.798 943 3HG2 ILE 128 3HG2 ILE 128 -5.633 -14.528 -6.488 944 1HD1 ILE 128 1HD1 ILE 128 -1.786 -15.086 -3.778 945 2HD1 ILE 128 2HD1 ILE 128 -2.426 -15.821 -2.308 946 3HD1 ILE 128 3HD1 ILE 128 -3.040 -14.261 -2.855 947 H LYS 129 H LYS 129 -3.789 -16.930 -8.813 948 HA LYS 129 HA LYS 129 -5.202 -14.661 -9.764 949 1HB LYS 129 2HB LYS 129 -2.981 -13.745 -10.138 950 2HB LYS 129 1HB LYS 129 -2.498 -15.195 -11.010 951 1HG LYS 129 2HG LYS 129 -3.788 -14.667 -12.862 952 2HG LYS 129 1HG LYS 129 -4.824 -13.570 -11.954 953 1HD LYS 129 2HD LYS 129 -1.910 -13.047 -12.527 954 2HD LYS 129 1HD LYS 129 -3.234 -12.445 -13.526 955 1HE LYS 129 2HE LYS 129 -4.160 -11.325 -11.500 956 2HE LYS 129 1HE LYS 129 -2.711 -11.814 -10.624 957 1HZ LYS 129 1HZ LYS 129 -2.528 -9.546 -11.437 958 2HZ LYS 129 2HZ LYS 129 -2.775 -10.072 -13.031 959 3HZ LYS 129 3HZ LYS 129 -1.377 -10.543 -12.192 960 H HIS 130 H HIS 130 -6.701 -15.330 -11.086 961 HA HIS 130 HA HIS 130 -7.820 -16.457 -12.701 962 1HB HIS 130 2HB HIS 130 -5.726 -16.559 -14.009 963 2HB HIS 130 1HB HIS 130 -5.273 -18.027 -13.151 964 HD1 HIS 130 1HD HIS 130 -6.334 -20.214 -13.901 965 HD2 HIS 130 2HD HIS 130 -7.856 -16.879 -15.872 966 HE1 HIS 130 1HE HIS 130 -7.699 -21.115 -15.815 967 HE2 HIS 130 2HE HIS 130 -8.526 -19.085 -17.058 Start of MODEL 8 1 1H MET 1 1HT MET 1 -24.789 -5.847 3.745 2 2H MET 1 2HT MET 1 -23.478 -6.921 3.813 3 3H MET 1 3HT MET 1 -24.502 -6.911 2.460 4 HA MET 1 HA MET 1 -23.802 -4.711 1.864 5 1HB MET 1 2HB MET 1 -23.239 -4.313 4.420 6 2HB MET 1 1HB MET 1 -21.641 -4.856 3.933 7 1HG MET 1 2HG MET 1 -21.493 -3.067 2.310 8 2HG MET 1 1HG MET 1 -23.134 -2.554 2.695 9 1HE MET 1 1HE MET 1 -23.850 -1.539 5.042 10 2HE MET 1 2HE MET 1 -22.732 -1.289 6.383 11 3HE MET 1 3HE MET 1 -23.160 -2.927 5.888 12 H SER 2 H SER 2 -21.378 -4.295 1.013 13 HA SER 2 HA SER 2 -20.636 -6.898 -0.103 14 1HB SER 2 2HB SER 2 -20.073 -4.139 -1.220 15 2HB SER 2 1HB SER 2 -19.834 -5.681 -2.042 16 HG SER 2 HG SER 2 -22.285 -5.845 -1.448 17 H ILE 3 H ILE 3 -19.005 -7.727 1.052 18 HA ILE 3 HA ILE 3 -17.207 -6.066 2.508 19 HB ILE 3 HB ILE 3 -16.979 -9.033 2.058 20 1HG1 ILE 3 2HG1 ILE 3 -18.628 -7.398 3.980 21 2HG1 ILE 3 1HG1 ILE 3 -19.172 -8.645 2.868 22 1HG2 ILE 3 1HG2 ILE 3 -14.986 -8.008 3.009 23 2HG2 ILE 3 2HG2 ILE 3 -15.813 -8.996 4.214 24 3HG2 ILE 3 3HG2 ILE 3 -15.966 -7.239 4.257 25 1HD1 ILE 3 1HD1 ILE 3 -19.212 -9.427 5.156 26 2HD1 ILE 3 2HD1 ILE 3 -17.486 -9.098 5.312 27 3HD1 ILE 3 3HD1 ILE 3 -18.050 -10.340 4.194 28 H PHE 4 H PHE 4 -17.039 -7.672 -0.585 29 HA PHE 4 HA PHE 4 -14.245 -7.479 -0.923 30 1HB PHE 4 2HB PHE 4 -14.751 -7.504 -3.391 31 2HB PHE 4 1HB PHE 4 -15.430 -8.843 -2.476 32 HD1 PHE 4 1HD PHE 4 -17.769 -9.183 -2.351 33 HD2 PHE 4 2HD PHE 4 -16.213 -5.683 -4.205 34 HE1 PHE 4 1HE PHE 4 -19.992 -8.694 -3.280 35 HE2 PHE 4 2HE PHE 4 -18.435 -5.188 -5.142 36 HZ PHE 4 HZ PHE 4 -20.330 -6.694 -4.677 37 H GLY 5 H GLY 5 -16.780 -5.128 -1.031 38 1HA GLY 5 2HA GLY 5 -15.047 -3.070 -2.152 39 2HA GLY 5 1HA GLY 5 -16.716 -2.866 -1.631 40 H LYS 6 H LYS 6 -15.898 -4.362 0.902 41 HA LYS 6 HA LYS 6 -15.376 -2.034 2.477 42 1HB LYS 6 2HB LYS 6 -15.643 -4.967 3.148 43 2HB LYS 6 1HB LYS 6 -15.267 -3.755 4.362 44 1HG LYS 6 2HG LYS 6 -17.377 -2.666 4.014 45 2HG LYS 6 1HG LYS 6 -17.739 -3.719 2.643 46 1HD LYS 6 2HD LYS 6 -17.972 -5.620 4.031 47 2HD LYS 6 1HD LYS 6 -17.229 -4.798 5.408 48 1HE LYS 6 2HE LYS 6 -19.155 -3.315 5.565 49 2HE LYS 6 1HE LYS 6 -19.884 -4.095 4.162 50 1HZ LYS 6 1HZ LYS 6 -20.097 -6.135 5.381 51 2HZ LYS 6 2HZ LYS 6 -20.770 -4.891 6.316 52 3HZ LYS 6 3HZ LYS 6 -19.238 -5.500 6.701 53 H ILE 7 H ILE 7 -13.575 -4.919 1.527 54 HA ILE 7 HA ILE 7 -11.329 -4.296 3.167 55 HB ILE 7 HB ILE 7 -10.178 -6.133 1.959 56 1HG1 ILE 7 2HG1 ILE 7 -12.806 -6.402 0.479 57 2HG1 ILE 7 1HG1 ILE 7 -11.304 -5.813 -0.229 58 1HG2 ILE 7 1HG2 ILE 7 -12.945 -6.777 2.972 59 2HG2 ILE 7 2HG2 ILE 7 -11.496 -6.579 3.958 60 3HG2 ILE 7 3HG2 ILE 7 -11.614 -7.923 2.821 61 1HD1 ILE 7 1HD1 ILE 7 -11.751 -8.570 0.907 62 2HD1 ILE 7 2HD1 ILE 7 -10.267 -7.980 0.155 63 3HD1 ILE 7 3HD1 ILE 7 -11.738 -8.142 -0.805 64 H MET 8 H MET 8 -12.174 -3.686 -0.183 65 HA MET 8 HA MET 8 -9.513 -3.020 -0.984 66 1HB MET 8 2HB MET 8 -10.477 -2.300 -3.082 67 2HB MET 8 1HB MET 8 -11.196 -3.824 -2.595 68 1HG MET 8 2HG MET 8 -12.992 -2.620 -3.399 69 2HG MET 8 1HG MET 8 -13.106 -2.385 -1.658 70 1HE MET 8 1HE MET 8 -14.380 1.030 -3.119 71 2HE MET 8 2HE MET 8 -14.758 -0.332 -2.062 72 3HE MET 8 3HE MET 8 -14.629 -0.573 -3.806 73 H SER 9 H SER 9 -11.754 -1.417 0.893 74 HA SER 9 HA SER 9 -11.543 1.235 -0.030 75 1HB SER 9 2HB SER 9 -13.285 0.317 1.549 76 2HB SER 9 1HB SER 9 -12.062 0.363 2.818 77 HG SER 9 HG SER 9 -13.395 2.448 1.533 78 H ALA 10 H ALA 10 -9.574 -0.669 2.172 79 HA ALA 10 HA ALA 10 -7.872 1.628 2.720 80 1HB ALA 10 1HB ALA 10 -6.698 0.182 4.273 81 2HB ALA 10 2HB ALA 10 -7.608 -1.214 3.696 82 3HB ALA 10 3HB ALA 10 -8.437 0.082 4.557 83 H ILE 11 H ILE 11 -7.822 -1.454 1.024 84 HA ILE 11 HA ILE 11 -5.101 -1.574 0.407 85 HB ILE 11 HB ILE 11 -7.433 -2.660 -1.183 86 1HG1 ILE 11 2HG1 ILE 11 -5.700 -3.973 0.929 87 2HG1 ILE 11 1HG1 ILE 11 -7.357 -3.426 1.164 88 1HG2 ILE 11 1HG2 ILE 11 -5.796 -4.252 -2.102 89 2HG2 ILE 11 2HG2 ILE 11 -4.509 -3.395 -1.252 90 3HG2 ILE 11 3HG2 ILE 11 -5.415 -2.581 -2.527 91 1HD1 ILE 11 1HD1 ILE 11 -7.242 -5.833 0.819 92 2HD1 ILE 11 2HD1 ILE 11 -6.475 -5.576 -0.749 93 3HD1 ILE 11 3HD1 ILE 11 -8.133 -5.042 -0.480 94 H PHE 12 H PHE 12 -7.811 -0.258 -1.490 95 HA PHE 12 HA PHE 12 -5.878 0.903 -3.367 96 1HB PHE 12 2HB PHE 12 -8.858 0.447 -3.543 97 2HB PHE 12 1HB PHE 12 -7.966 1.392 -4.727 98 HD1 PHE 12 1HD PHE 12 -8.485 -1.964 -3.342 99 HD2 PHE 12 2HD PHE 12 -6.565 0.351 -6.350 100 HE1 PHE 12 1HE PHE 12 -7.946 -4.023 -4.576 101 HE2 PHE 12 2HE PHE 12 -6.020 -1.702 -7.591 102 HZ PHE 12 HZ PHE 12 -6.713 -3.895 -6.703 103 H GLY 13 H GLY 13 -6.605 1.899 -0.589 104 1HA GLY 13 2HA GLY 13 -7.490 4.602 -1.404 105 2HA GLY 13 1HA GLY 13 -7.986 3.854 0.106 106 H ASP 14 H ASP 14 -4.779 3.094 -0.629 107 HA ASP 14 HA ASP 14 -3.794 5.406 0.892 108 1HB ASP 14 2HB ASP 14 -3.951 3.581 2.491 109 2HB ASP 14 1HB ASP 14 -3.054 2.518 1.409 110 H SER 15 H SER 15 -1.589 5.915 0.600 111 HA SER 15 HA SER 15 0.013 4.382 -1.248 112 1HB SER 15 2HB SER 15 -0.651 7.284 -1.831 113 2HB SER 15 1HB SER 15 0.495 6.288 -2.728 114 HG SER 15 HG SER 15 -1.852 5.008 -2.575 115 H ALA 16 H ALA 16 -0.000 5.193 1.616 116 HA ALA 16 HA ALA 16 2.639 6.419 1.732 117 1HB ALA 16 1HB ALA 16 1.113 8.332 1.695 118 2HB ALA 16 2HB ALA 16 1.987 8.212 3.222 119 3HB ALA 16 3HB ALA 16 0.301 7.705 3.130 120 H ALA 17 H ALA 17 0.006 4.749 3.350 121 HA ALA 17 HA ALA 17 1.733 4.345 5.702 122 1HB ALA 17 1HB ALA 17 -1.251 3.984 5.478 123 2HB ALA 17 2HB ALA 17 -0.441 5.399 6.150 124 3HB ALA 17 3HB ALA 17 -0.288 3.831 6.946 125 H ALA 18 H ALA 18 2.818 2.530 5.663 126 HA ALA 18 HA ALA 18 3.310 0.318 5.687 127 1HB ALA 18 1HB ALA 18 1.573 -1.345 5.858 128 2HB ALA 18 2HB ALA 18 0.366 -0.189 5.300 129 3HB ALA 18 3HB ALA 18 1.151 0.047 6.861 130 H SER 19 H SER 19 2.253 1.944 3.065 131 HA SER 19 HA SER 19 2.346 -0.255 1.202 132 1HB SER 19 2HB SER 19 2.461 1.909 -0.390 133 2HB SER 19 1HB SER 19 0.952 1.321 0.310 134 HG SER 19 HG SER 19 0.838 3.027 1.538 135 HA PRO 20 HA PRO 20 6.692 -0.471 0.760 136 1HB PRO 20 2HB PRO 20 6.860 -1.224 -1.877 137 2HB PRO 20 1HB PRO 20 6.456 -2.322 -0.552 138 1HG PRO 20 2HG PRO 20 4.639 -0.928 -2.479 139 2HG PRO 20 1HG PRO 20 4.565 -2.593 -1.870 140 1HD PRO 20 2HD PRO 20 2.965 -0.665 -0.901 141 2HD PRO 20 1HD PRO 20 3.614 -1.951 0.136 142 H GLY 21 H GLY 21 8.049 1.188 0.637 143 1HA GLY 21 2HA GLY 21 8.684 2.533 -1.737 144 2HA GLY 21 1HA GLY 21 7.585 3.546 -0.809 145 H GLY 22 H GLY 22 8.224 3.774 1.569 146 1HA GLY 22 2HA GLY 22 11.159 3.861 1.842 147 2HA GLY 22 1HA GLY 22 10.205 5.303 2.155 148 H ALA 23 H ALA 23 11.599 4.781 4.198 149 HA ALA 23 HA ALA 23 9.736 3.777 6.175 150 1HB ALA 23 1HB ALA 23 10.985 1.759 5.575 151 2HB ALA 23 2HB ALA 23 11.360 2.271 7.220 152 3HB ALA 23 3HB ALA 23 12.504 2.591 5.916 153 H GLN 24 H GLN 24 10.585 4.230 8.411 154 HA GLN 24 HA GLN 24 11.978 6.800 8.358 155 1HB GLN 24 2HB GLN 24 10.387 5.434 10.534 156 2HB GLN 24 1HB GLN 24 11.215 6.971 10.738 157 1HG GLN 24 2HG GLN 24 9.831 7.939 8.953 158 2HG GLN 24 1HG GLN 24 8.973 6.407 8.803 159 1HE2 GLN 24 1HE2 GLN 24 9.523 9.213 10.779 160 2HE2 GLN 24 2HE2 GLN 24 8.148 8.999 11.816 161 H ALA 25 H ALA 25 13.563 7.255 10.064 162 HA ALA 25 HA ALA 25 15.135 4.862 10.744 163 1HB ALA 25 1HB ALA 25 16.248 6.192 9.026 164 2HB ALA 25 2HB ALA 25 17.153 6.233 10.539 165 3HB ALA 25 3HB ALA 25 16.167 7.616 10.063 166 HA PRO 26 HA PRO 26 14.288 6.208 14.933 167 1HB PRO 26 2HB PRO 26 16.115 4.484 16.085 168 2HB PRO 26 1HB PRO 26 14.454 4.053 15.671 169 1HG PRO 26 2HG PRO 26 16.981 3.521 14.173 170 2HG PRO 26 1HG PRO 26 15.564 2.477 14.390 171 1HD PRO 26 2HD PRO 26 15.999 3.818 12.101 172 2HD PRO 26 1HD PRO 26 14.362 3.547 12.732 173 H ALA 27 H ALA 27 15.110 8.125 15.513 174 HA ALA 27 HA ALA 27 17.958 8.631 15.130 175 1HB ALA 27 1HB ALA 27 17.412 10.975 15.410 176 2HB ALA 27 2HB ALA 27 15.745 10.560 15.812 177 3HB ALA 27 3HB ALA 27 16.372 10.238 14.193 178 H THR 28 H THR 28 18.904 7.579 16.866 179 HA THR 28 HA THR 28 18.154 8.252 19.573 180 HB THR 28 HB THR 28 20.664 6.864 18.588 181 HG1 THR 28 1HG THR 28 19.031 5.556 17.943 182 1HG2 THR 28 1HG2 THR 28 19.319 6.859 21.296 183 2HG2 THR 28 2HG2 THR 28 20.827 7.679 20.890 184 3HG2 THR 28 3HG2 THR 28 20.743 5.917 20.854 185 H THR 29 H THR 29 19.349 9.585 20.973 186 HA THR 29 HA THR 29 20.472 11.896 19.819 187 HB THR 29 HB THR 29 20.753 10.940 22.676 188 HG1 THR 29 1HG THR 29 18.688 12.350 21.307 189 1HG2 THR 29 1HG2 THR 29 20.916 13.709 21.475 190 2HG2 THR 29 2HG2 THR 29 22.262 12.782 22.136 191 3HG2 THR 29 3HG2 THR 29 20.966 13.334 23.197 192 H GLY 30 H GLY 30 22.354 11.962 18.785 193 1HA GLY 30 2HA GLY 30 24.804 11.496 20.080 194 2HA GLY 30 1HA GLY 30 24.456 10.127 19.035 195 H ALA 31 H ALA 31 23.743 10.811 16.751 196 HA ALA 31 HA ALA 31 25.889 12.443 15.724 197 1HB ALA 31 1HB ALA 31 25.173 11.680 13.536 198 2HB ALA 31 2HB ALA 31 23.703 11.000 14.231 199 3HB ALA 31 3HB ALA 31 25.272 10.318 14.651 200 H ALA 32 H ALA 32 22.377 12.415 15.214 201 HA ALA 32 HA ALA 32 20.828 14.027 14.882 202 1HB ALA 32 1HB ALA 32 21.746 15.086 16.879 203 2HB ALA 32 2HB ALA 32 21.202 16.286 15.708 204 3HB ALA 32 3HB ALA 32 22.923 15.947 15.888 205 H GLY 33 H GLY 33 23.919 15.552 13.924 206 1HA GLY 33 2HA GLY 33 22.634 16.751 11.623 207 2HA GLY 33 1HA GLY 33 24.309 16.956 12.112 208 H THR 34 H THR 34 22.319 14.164 11.183 209 HA THR 34 HA THR 34 23.859 13.757 8.774 210 HB THR 34 HB THR 34 23.856 11.589 10.893 211 HG1 THR 34 1HG THR 34 25.501 13.698 10.542 212 1HG2 THR 34 1HG2 THR 34 23.832 10.736 8.596 213 2HG2 THR 34 2HG2 THR 34 25.386 10.429 9.367 214 3HG2 THR 34 3HG2 THR 34 25.227 11.743 8.203 215 H ALA 35 H ALA 35 22.181 13.592 7.412 216 HA ALA 35 HA ALA 35 19.823 12.068 8.299 217 1HB ALA 35 1HB ALA 35 20.008 14.183 6.157 218 2HB ALA 35 2HB ALA 35 19.426 14.439 7.802 219 3HB ALA 35 3HB ALA 35 18.539 13.376 6.708 220 HA PRO 36 HA PRO 36 20.638 9.120 5.041 221 1HB PRO 36 2HB PRO 36 18.166 7.984 4.970 222 2HB PRO 36 1HB PRO 36 19.372 7.599 6.200 223 1HG PRO 36 2HG PRO 36 17.001 9.404 6.367 224 2HG PRO 36 1HG PRO 36 17.657 8.296 7.585 225 1HD PRO 36 2HD PRO 36 18.076 10.992 7.624 226 2HD PRO 36 1HD PRO 36 19.217 9.816 8.306 227 H THR 37 H THR 37 20.873 10.200 3.160 228 HA THR 37 HA THR 37 18.850 11.879 2.065 229 HB THR 37 HB THR 37 20.430 11.916 0.062 230 HG1 THR 37 1HG THR 37 21.737 10.213 0.167 231 1HG2 THR 37 1HG2 THR 37 21.513 12.666 2.783 232 2HG2 THR 37 2HG2 THR 37 20.430 13.645 1.794 233 3HG2 THR 37 3HG2 THR 37 22.071 13.313 1.240 234 H ALA 38 H ALA 38 17.016 10.730 1.623 235 HA ALA 38 HA ALA 38 17.245 8.788 -0.579 236 1HB ALA 38 1HB ALA 38 16.729 7.620 1.513 237 2HB ALA 38 2HB ALA 38 15.396 7.518 0.361 238 3HB ALA 38 3HB ALA 38 15.302 8.636 1.724 239 HA PRO 39 HA PRO 39 14.548 12.032 -2.275 240 1HB PRO 39 2HB PRO 39 15.097 10.539 -4.757 241 2HB PRO 39 1HB PRO 39 15.354 12.249 -4.396 242 1HG PRO 39 2HG PRO 39 17.407 10.537 -4.635 243 2HG PRO 39 1HG PRO 39 17.439 11.879 -3.476 244 1HD PRO 39 2HD PRO 39 16.894 8.972 -2.999 245 2HD PRO 39 1HD PRO 39 17.850 10.115 -2.030 246 H GLN 40 H GLN 40 12.432 11.935 -3.062 247 HA GLN 40 HA GLN 40 11.180 9.312 -2.723 248 1HB GLN 40 2HB GLN 40 10.206 11.136 -1.437 249 2HB GLN 40 1HB GLN 40 9.971 12.080 -2.904 250 1HG GLN 40 2HG GLN 40 8.498 10.174 -3.709 251 2HG GLN 40 1HG GLN 40 8.546 9.582 -2.049 252 1HE2 GLN 40 1HE2 GLN 40 7.473 10.712 -0.443 253 2HE2 GLN 40 2HE2 GLN 40 6.325 11.960 -0.805 254 HA PRO 41 HA PRO 41 10.498 9.241 -7.191 255 1HB PRO 41 2HB PRO 41 9.731 6.486 -6.833 256 2HB PRO 41 1HB PRO 41 11.163 7.121 -7.642 257 1HG PRO 41 2HG PRO 41 11.227 5.706 -5.293 258 2HG PRO 41 1HG PRO 41 12.473 6.862 -5.792 259 1HD PRO 41 2HD PRO 41 10.208 7.225 -3.867 260 2HD PRO 41 1HD PRO 41 11.880 7.821 -3.770 261 H THR 42 H THR 42 8.653 10.473 -7.202 262 HA THR 42 HA THR 42 6.269 9.631 -5.829 263 HB THR 42 HB THR 42 6.392 11.857 -7.855 264 HG1 THR 42 1HG THR 42 7.065 12.138 -5.098 265 1HG2 THR 42 1HG2 THR 42 4.825 11.470 -5.301 266 2HG2 THR 42 2HG2 THR 42 4.194 11.313 -6.941 267 3HG2 THR 42 3HG2 THR 42 4.736 12.884 -6.350 268 H ALA 43 H ALA 43 5.786 7.654 -6.824 269 HA ALA 43 HA ALA 43 4.020 7.920 -9.062 270 1HB ALA 43 1HB ALA 43 6.121 7.700 -10.286 271 2HB ALA 43 2HB ALA 43 5.107 6.272 -10.502 272 3HB ALA 43 3HB ALA 43 6.486 6.215 -9.404 273 H ALA 44 H ALA 44 2.561 6.274 -9.153 274 HA ALA 44 HA ALA 44 2.942 3.753 -7.884 275 1HB ALA 44 1HB ALA 44 1.040 5.679 -6.545 276 2HB ALA 44 2HB ALA 44 2.548 5.061 -5.868 277 3HB ALA 44 3HB ALA 44 1.202 3.964 -6.169 278 HA PRO 45 HA PRO 45 -0.350 3.879 -11.085 279 1HB PRO 45 2HB PRO 45 0.828 2.380 -12.951 280 2HB PRO 45 1HB PRO 45 1.258 4.082 -12.740 281 1HG PRO 45 2HG PRO 45 2.723 1.633 -11.868 282 2HG PRO 45 1HG PRO 45 3.364 3.160 -12.498 283 1HD PRO 45 2HD PRO 45 3.217 2.435 -9.805 284 2HD PRO 45 1HD PRO 45 3.451 4.084 -10.421 285 H SER 46 H SER 46 1.213 1.490 -9.242 286 HA SER 46 HA SER 46 -0.956 -0.408 -9.805 287 1HB SER 46 2HB SER 46 1.327 -1.024 -10.839 288 2HB SER 46 1HB SER 46 1.854 -1.308 -9.182 289 HG SER 46 HG SER 46 -0.212 -2.619 -10.619 290 H ILE 47 H ILE 47 -1.642 -1.626 -8.023 291 HA ILE 47 HA ILE 47 -0.877 -0.436 -5.442 292 HB ILE 47 HB ILE 47 -3.427 -1.763 -6.358 293 1HG1 ILE 47 2HG1 ILE 47 -3.157 0.582 -7.009 294 2HG1 ILE 47 1HG1 ILE 47 -4.439 0.406 -5.816 295 1HG2 ILE 47 1HG2 ILE 47 -2.736 -0.871 -3.566 296 2HG2 ILE 47 2HG2 ILE 47 -2.981 -2.532 -4.109 297 3HG2 ILE 47 3HG2 ILE 47 -4.329 -1.395 -4.116 298 1HD1 ILE 47 1HD1 ILE 47 -2.898 1.168 -4.072 299 2HD1 ILE 47 2HD1 ILE 47 -3.100 2.362 -5.354 300 3HD1 ILE 47 3HD1 ILE 47 -1.641 1.375 -5.290 301 H ASP 48 H ASP 48 0.543 -1.695 -4.369 302 HA ASP 48 HA ASP 48 0.670 -4.539 -4.870 303 1HB ASP 48 2HB ASP 48 2.662 -2.935 -4.392 304 2HB ASP 48 1HB ASP 48 2.204 -3.124 -2.704 305 H VAL 49 H VAL 49 -0.793 -5.807 -3.948 306 HA VAL 49 HA VAL 49 -2.200 -4.904 -1.584 307 HB VAL 49 HB VAL 49 -2.606 -7.464 -3.144 308 1HG1 VAL 49 1HG1 VAL 49 -4.839 -7.454 -2.190 309 2HG1 VAL 49 2HG1 VAL 49 -4.477 -5.967 -1.314 310 3HG1 VAL 49 3HG1 VAL 49 -3.619 -7.457 -0.916 311 1HG2 VAL 49 1HG2 VAL 49 -3.979 -4.806 -3.507 312 2HG2 VAL 49 2HG2 VAL 49 -4.375 -6.304 -4.348 313 3HG2 VAL 49 3HG2 VAL 49 -2.814 -5.530 -4.616 314 H ALA 50 H ALA 50 0.390 -6.994 -2.341 315 HA ALA 50 HA ALA 50 0.071 -9.015 -0.433 316 1HB ALA 50 1HB ALA 50 2.379 -9.562 -0.801 317 2HB ALA 50 2HB ALA 50 2.681 -7.977 -1.512 318 3HB ALA 50 3HB ALA 50 1.632 -9.127 -2.338 319 HA PRO 51 HA PRO 51 2.934 -6.535 2.557 320 1HB PRO 51 2HB PRO 51 2.670 -3.721 1.869 321 2HB PRO 51 1HB PRO 51 4.135 -4.681 2.072 322 1HG PRO 51 2HG PRO 51 3.242 -3.729 -0.332 323 2HG PRO 51 1HG PRO 51 4.280 -5.150 -0.152 324 1HD PRO 51 2HD PRO 51 1.373 -4.981 -0.719 325 2HD PRO 51 1HD PRO 51 2.560 -6.194 -1.233 326 H ILE 52 H ILE 52 0.124 -4.868 1.256 327 HA ILE 52 HA ILE 52 -0.685 -3.568 3.610 328 HB ILE 52 HB ILE 52 -2.443 -4.525 1.343 329 1HG1 ILE 52 2HG1 ILE 52 -0.964 -1.908 1.722 330 2HG1 ILE 52 1HG1 ILE 52 -0.583 -3.145 0.533 331 1HG2 ILE 52 1HG2 ILE 52 -3.713 -3.897 3.322 332 2HG2 ILE 52 2HG2 ILE 52 -3.937 -2.708 2.038 333 3HG2 ILE 52 3HG2 ILE 52 -2.863 -2.355 3.392 334 1HD1 ILE 52 1HD1 ILE 52 -3.112 -1.531 0.637 335 2HD1 ILE 52 2HD1 ILE 52 -2.714 -2.757 -0.567 336 3HD1 ILE 52 3HD1 ILE 52 -1.760 -1.275 -0.465 337 H LEU 53 H LEU 53 -1.592 -6.738 2.259 338 HA LEU 53 HA LEU 53 -3.420 -7.239 4.420 339 1HB LEU 53 2HB LEU 53 -2.385 -9.042 2.238 340 2HB LEU 53 1HB LEU 53 -3.617 -9.497 3.399 341 HG LEU 53 HG LEU 53 -3.839 -7.324 1.314 342 1HD1 LEU 53 1HD1 LEU 53 -5.276 -9.958 1.616 343 2HD1 LEU 53 2HD1 LEU 53 -4.012 -9.601 0.438 344 3HD1 LEU 53 3HD1 LEU 53 -5.558 -8.756 0.358 345 1HD2 LEU 53 1HD2 LEU 53 -6.148 -7.077 2.082 346 2HD2 LEU 53 2HD2 LEU 53 -5.000 -6.677 3.361 347 3HD2 LEU 53 3HD2 LEU 53 -5.842 -8.227 3.383 348 H ASP 54 H ASP 54 -0.152 -8.263 3.550 349 HA ASP 54 HA ASP 54 0.144 -10.230 5.531 350 1HB ASP 54 2HB ASP 54 1.865 -8.838 3.659 351 2HB ASP 54 1HB ASP 54 2.678 -9.118 5.196 352 H LYS 55 H LYS 55 0.852 -6.739 5.618 353 HA LYS 55 HA LYS 55 1.791 -6.818 8.312 354 1HB LYS 55 2HB LYS 55 1.113 -4.649 6.379 355 2HB LYS 55 1HB LYS 55 1.177 -4.242 8.085 356 1HG LYS 55 2HG LYS 55 3.304 -3.732 7.327 357 2HG LYS 55 1HG LYS 55 3.506 -5.324 8.052 358 1HD LYS 55 2HD LYS 55 2.908 -5.115 5.135 359 2HD LYS 55 1HD LYS 55 4.540 -4.770 5.702 360 1HE LYS 55 2HE LYS 55 3.061 -7.304 6.368 361 2HE LYS 55 1HE LYS 55 4.098 -7.133 4.952 362 1HZ LYS 55 1HZ LYS 55 5.006 -6.696 7.747 363 2HZ LYS 55 2HZ LYS 55 5.969 -6.720 6.350 364 3HZ LYS 55 3HZ LYS 55 5.211 -8.139 6.880 365 H ALA 56 H ALA 56 -1.340 -6.404 6.795 366 HA ALA 56 HA ALA 56 -2.726 -5.476 9.089 367 1HB ALA 56 1HB ALA 56 -3.651 -5.264 6.836 368 2HB ALA 56 2HB ALA 56 -4.754 -6.132 7.903 369 3HB ALA 56 3HB ALA 56 -3.790 -7.020 6.724 370 H VAL 57 H VAL 57 -1.863 -8.649 7.906 371 HA VAL 57 HA VAL 57 -3.462 -10.259 9.530 372 HB VAL 57 HB VAL 57 -0.714 -10.720 8.360 373 1HG1 VAL 57 1HG1 VAL 57 -0.915 -12.096 10.375 374 2HG1 VAL 57 2HG1 VAL 57 -0.962 -13.085 8.916 375 3HG1 VAL 57 3HG1 VAL 57 -2.453 -12.732 9.789 376 1HG2 VAL 57 1HG2 VAL 57 -2.541 -10.545 6.767 377 2HG2 VAL 57 2HG2 VAL 57 -3.449 -11.772 7.650 378 3HG2 VAL 57 3HG2 VAL 57 -1.942 -12.203 6.842 379 H LYS 58 H LYS 58 -0.171 -9.055 10.127 380 HA LYS 58 HA LYS 58 -0.023 -10.212 12.732 381 1HB LYS 58 2HB LYS 58 2.086 -9.003 12.937 382 2HB LYS 58 1HB LYS 58 1.980 -9.800 11.372 383 1HG LYS 58 2HG LYS 58 1.104 -7.508 10.544 384 2HG LYS 58 1HG LYS 58 1.835 -6.892 12.028 385 1HD LYS 58 2HD LYS 58 3.259 -8.496 9.910 386 2HD LYS 58 1HD LYS 58 3.349 -6.745 10.093 387 1HE LYS 58 2HE LYS 58 4.202 -8.752 12.178 388 2HE LYS 58 1HE LYS 58 5.292 -7.922 11.069 389 1HZ LYS 58 1HZ LYS 58 3.725 -6.783 13.303 390 2HZ LYS 58 2HZ LYS 58 4.312 -5.799 12.056 391 3HZ LYS 58 3HZ LYS 58 5.391 -6.685 13.013 392 H ALA 59 H ALA 59 -1.318 -7.299 11.472 393 HA ALA 59 HA ALA 59 -1.263 -5.864 13.977 394 1HB ALA 59 1HB ALA 59 -2.800 -5.256 11.450 395 2HB ALA 59 2HB ALA 59 -1.178 -4.671 11.820 396 3HB ALA 59 3HB ALA 59 -2.548 -4.164 12.809 397 H LYS 60 H LYS 60 -3.462 -7.898 12.168 398 HA LYS 60 HA LYS 60 -5.830 -7.355 13.561 399 1HB LYS 60 2HB LYS 60 -5.288 -8.861 11.432 400 2HB LYS 60 1HB LYS 60 -5.284 -10.139 12.638 401 1HG LYS 60 2HG LYS 60 -7.578 -8.403 12.919 402 2HG LYS 60 1HG LYS 60 -7.485 -9.109 11.306 403 1HD LYS 60 2HD LYS 60 -8.766 -10.626 12.554 404 2HD LYS 60 1HD LYS 60 -7.156 -11.344 12.500 405 1HE LYS 60 2HE LYS 60 -6.682 -10.598 14.728 406 2HE LYS 60 1HE LYS 60 -8.172 -9.662 14.785 407 1HZ LYS 60 1HZ LYS 60 -8.002 -12.626 14.589 408 2HZ LYS 60 2HZ LYS 60 -9.431 -11.718 14.682 409 3HZ LYS 60 3HZ LYS 60 -8.357 -11.750 15.997 410 H GLY 61 H GLY 61 -3.340 -9.843 14.123 411 1HA GLY 61 2HA GLY 61 -2.683 -9.854 16.556 412 2HA GLY 61 1HA GLY 61 -4.400 -10.035 16.870 413 H GLU 62 H GLU 62 -3.263 -11.783 14.134 414 HA GLU 62 HA GLU 62 -2.438 -14.108 15.600 415 1HB GLU 62 2HB GLU 62 -4.248 -15.580 14.933 416 2HB GLU 62 1HB GLU 62 -4.893 -14.241 15.870 417 1HG GLU 62 2HG GLU 62 -5.565 -13.136 13.771 418 2HG GLU 62 1HG GLU 62 -4.988 -14.542 12.877 419 H LYS 63 H LYS 63 -2.018 -15.969 14.097 420 HA LYS 63 HA LYS 63 -0.772 -14.986 11.688 421 1HB LYS 63 2HB LYS 63 -0.259 -17.091 13.420 422 2HB LYS 63 1HB LYS 63 -0.891 -17.892 11.989 423 1HG LYS 63 2HG LYS 63 1.431 -15.974 12.047 424 2HG LYS 63 1HG LYS 63 1.549 -17.730 11.956 425 1HD LYS 63 2HD LYS 63 0.140 -16.031 9.898 426 2HD LYS 63 1HD LYS 63 1.827 -16.529 9.771 427 1HE LYS 63 2HE LYS 63 1.084 -18.893 9.884 428 2HE LYS 63 1HE LYS 63 -0.589 -18.333 9.880 429 1HZ LYS 63 1HZ LYS 63 0.139 -18.978 7.662 430 2HZ LYS 63 2HZ LYS 63 1.402 -17.846 7.727 431 3HZ LYS 63 3HZ LYS 63 -0.206 -17.319 7.719 432 H LEU 64 H LEU 64 -1.890 -14.726 9.887 433 HA LEU 64 HA LEU 64 -4.211 -16.464 9.396 434 1HB LEU 64 2HB LEU 64 -3.595 -13.707 8.327 435 2HB LEU 64 1HB LEU 64 -5.002 -14.659 7.901 436 HG LEU 64 HG LEU 64 -4.389 -13.690 10.694 437 1HD1 LEU 64 1HD1 LEU 64 -6.331 -12.619 8.652 438 2HD1 LEU 64 2HD1 LEU 64 -4.863 -11.816 9.214 439 3HD1 LEU 64 3HD1 LEU 64 -6.201 -12.091 10.329 440 1HD2 LEU 64 1HD2 LEU 64 -5.720 -15.732 10.623 441 2HD2 LEU 64 2HD2 LEU 64 -6.850 -14.965 9.507 442 3HD2 LEU 64 3HD2 LEU 64 -6.694 -14.361 11.158 443 H GLU 65 H GLU 65 -4.629 -17.043 7.157 444 HA GLU 65 HA GLU 65 -2.170 -17.183 5.525 445 1HB GLU 65 2HB GLU 65 -3.323 -19.333 6.703 446 2HB GLU 65 1HB GLU 65 -4.229 -19.290 5.197 447 1HG GLU 65 2HG GLU 65 -2.345 -20.758 4.963 448 2HG GLU 65 1HG GLU 65 -2.105 -19.330 3.951 449 H TRP 66 H TRP 66 -3.276 -15.079 4.803 450 HA TRP 66 HA TRP 66 -5.835 -15.179 3.616 451 1HB TRP 66 2HB TRP 66 -5.465 -12.917 2.886 452 2HB TRP 66 1HB TRP 66 -4.839 -13.101 4.515 453 HD1 TRP 66 HD TRP 66 -2.296 -12.555 4.897 454 HE1 TRP 66 1HE TRP 66 -0.437 -11.571 3.393 455 HE3 TRP 66 3HE TRP 66 -4.615 -12.967 0.354 456 HZ2 TRP 66 2HZ TRP 66 -0.022 -11.057 0.658 457 HZ3 TRP 66 3HZ TRP 66 -3.415 -12.206 -1.654 458 HH2 TRP 66 HH TRP 66 -1.165 -11.275 -1.501 459 H ARG 67 H ARG 67 -2.912 -16.323 2.468 460 HA ARG 67 HA ARG 67 -3.022 -15.748 -0.269 461 1HB ARG 67 2HB ARG 67 -1.992 -18.255 1.072 462 2HB ARG 67 1HB ARG 67 -1.647 -17.769 -0.580 463 1HG ARG 67 2HG ARG 67 -0.782 -16.371 1.937 464 2HG ARG 67 1HG ARG 67 0.235 -17.261 0.803 465 1HD ARG 67 2HD ARG 67 -0.843 -15.488 -0.885 466 2HD ARG 67 1HD ARG 67 -0.919 -14.541 0.602 467 HE ARG 67 HE ARG 67 1.496 -15.503 -0.758 468 1HH1 ARG 67 1HH1 ARG 67 0.071 -13.690 1.887 469 2HH1 ARG 67 2HH1 ARG 67 1.540 -12.852 2.285 470 1HH2 ARG 67 1HH2 ARG 67 3.428 -14.473 -0.208 471 2HH2 ARG 67 2HH2 ARG 67 3.470 -13.345 1.109 472 H THR 68 H THR 68 -4.343 -18.520 1.533 473 HA THR 68 HA THR 68 -5.925 -19.192 -0.856 474 HB THR 68 HB THR 68 -4.371 -20.968 -0.235 475 HG1 THR 68 1HG THR 68 -5.864 -22.352 -0.769 476 1HG2 THR 68 1HG2 THR 68 -4.136 -20.531 2.143 477 2HG2 THR 68 2HG2 THR 68 -4.645 -22.200 1.883 478 3HG2 THR 68 3HG2 THR 68 -5.817 -20.994 2.415 479 H SER 69 H SER 69 -6.075 -18.455 2.545 480 HA SER 69 HA SER 69 -8.839 -19.287 2.772 481 1HB SER 69 2HB SER 69 -7.119 -17.856 4.807 482 2HB SER 69 1HB SER 69 -8.620 -18.732 5.109 483 HG SER 69 HG SER 69 -6.438 -19.807 5.479 484 H ILE 70 H ILE 70 -10.316 -18.006 1.907 485 HA ILE 70 HA ILE 70 -9.842 -15.258 1.336 486 HB ILE 70 HB ILE 70 -11.311 -16.745 -0.029 487 1HG1 ILE 70 2HG1 ILE 70 -13.059 -15.028 -0.446 488 2HG1 ILE 70 1HG1 ILE 70 -12.567 -14.208 1.035 489 1HG2 ILE 70 1HG2 ILE 70 -13.632 -17.102 0.675 490 2HG2 ILE 70 2HG2 ILE 70 -13.249 -16.414 2.254 491 3HG2 ILE 70 3HG2 ILE 70 -12.480 -17.915 1.735 492 1HD1 ILE 70 1HD1 ILE 70 -11.606 -13.143 -0.923 493 2HD1 ILE 70 2HD1 ILE 70 -10.841 -14.664 -1.387 494 3HD1 ILE 70 3HD1 ILE 70 -10.347 -13.847 0.094 495 H VAL 71 H VAL 71 -11.220 -16.961 4.004 496 HA VAL 71 HA VAL 71 -12.700 -14.796 5.124 497 HB VAL 71 HB VAL 71 -11.578 -17.226 6.537 498 1HG1 VAL 71 1HG1 VAL 71 -12.302 -15.491 8.088 499 2HG1 VAL 71 2HG1 VAL 71 -13.407 -16.863 8.136 500 3HG1 VAL 71 3HG1 VAL 71 -13.863 -15.394 7.274 501 1HG2 VAL 71 1HG2 VAL 71 -14.249 -16.848 5.185 502 2HG2 VAL 71 2HG2 VAL 71 -13.772 -18.250 6.143 503 3HG2 VAL 71 3HG2 VAL 71 -12.940 -17.891 4.630 504 H ASP 72 H ASP 72 -9.384 -15.802 5.216 505 HA ASP 72 HA ASP 72 -8.688 -14.505 7.646 506 1HB ASP 72 2HB ASP 72 -7.101 -15.710 5.405 507 2HB ASP 72 1HB ASP 72 -6.303 -14.795 6.678 508 H LEU 73 H LEU 73 -8.204 -13.606 4.220 509 HA LEU 73 HA LEU 73 -6.914 -11.165 4.866 510 1HB LEU 73 2HB LEU 73 -7.396 -10.522 2.511 511 2HB LEU 73 1HB LEU 73 -6.546 -12.041 2.694 512 HG LEU 73 HG LEU 73 -8.956 -13.077 2.478 513 1HD1 LEU 73 1HD1 LEU 73 -10.160 -10.961 2.498 514 2HD1 LEU 73 2HD1 LEU 73 -10.387 -11.807 0.967 515 3HD1 LEU 73 3HD1 LEU 73 -9.282 -10.436 1.062 516 1HD2 LEU 73 1HD2 LEU 73 -7.433 -11.949 0.133 517 2HD2 LEU 73 2HD2 LEU 73 -8.613 -13.258 0.066 518 3HD2 LEU 73 3HD2 LEU 73 -7.102 -13.475 0.950 519 H MET 74 H MET 74 -10.211 -12.118 4.668 520 HA MET 74 HA MET 74 -11.412 -9.582 4.421 521 1HB MET 74 2HB MET 74 -12.671 -11.604 4.000 522 2HB MET 74 1HB MET 74 -12.414 -12.157 5.648 523 1HG MET 74 2HG MET 74 -13.785 -10.374 6.502 524 2HG MET 74 1HG MET 74 -13.965 -9.697 4.887 525 1HE MET 74 1HE MET 74 -15.646 -13.846 6.017 526 2HE MET 74 2HE MET 74 -14.672 -12.873 7.122 527 3HE MET 74 3HE MET 74 -13.947 -13.538 5.657 528 H LYS 75 H LYS 75 -10.694 -11.586 7.286 529 HA LYS 75 HA LYS 75 -11.631 -9.591 9.105 530 1HB LYS 75 2HB LYS 75 -10.821 -11.024 10.863 531 2HB LYS 75 1HB LYS 75 -11.602 -12.017 9.643 532 1HG LYS 75 2HG LYS 75 -9.397 -12.625 8.748 533 2HG LYS 75 1HG LYS 75 -8.634 -11.654 10.009 534 1HD LYS 75 2HD LYS 75 -8.585 -13.886 10.787 535 2HD LYS 75 1HD LYS 75 -9.880 -13.091 11.681 536 1HE LYS 75 2HE LYS 75 -11.485 -14.013 9.996 537 2HE LYS 75 1HE LYS 75 -10.152 -14.950 9.324 538 1HZ LYS 75 1HZ LYS 75 -11.221 -16.388 10.798 539 2HZ LYS 75 2HZ LYS 75 -11.417 -15.191 11.984 540 3HZ LYS 75 3HZ LYS 75 -9.881 -15.838 11.681 541 H ALA 76 H ALA 76 -8.567 -10.362 7.648 542 HA ALA 76 HA ALA 76 -6.811 -9.143 9.442 543 1HB ALA 76 1HB ALA 76 -5.208 -9.129 7.635 544 2HB ALA 76 2HB ALA 76 -6.497 -9.364 6.454 545 3HB ALA 76 3HB ALA 76 -6.120 -10.637 7.614 546 H LEU 77 H LEU 77 -8.495 -7.789 6.626 547 HA LEU 77 HA LEU 77 -7.301 -5.244 6.765 548 1HB LEU 77 2HB LEU 77 -8.878 -6.382 4.951 549 2HB LEU 77 1HB LEU 77 -10.124 -5.516 5.826 550 HG LEU 77 HG LEU 77 -9.263 -4.315 3.817 551 1HD1 LEU 77 1HD1 LEU 77 -10.334 -3.095 5.640 552 2HD1 LEU 77 2HD1 LEU 77 -9.050 -2.143 4.898 553 3HD1 LEU 77 3HD1 LEU 77 -8.777 -2.932 6.451 554 1HD2 LEU 77 1HD2 LEU 77 -7.066 -3.270 3.924 555 2HD2 LEU 77 2HD2 LEU 77 -6.933 -5.028 3.975 556 3HD2 LEU 77 3HD2 LEU 77 -6.741 -4.086 5.453 557 H ASP 78 H ASP 78 -10.677 -6.012 7.662 558 HA ASP 78 HA ASP 78 -10.654 -5.277 10.303 559 1HB ASP 78 2HB ASP 78 -9.902 -3.020 9.380 560 2HB ASP 78 1HB ASP 78 -11.514 -2.867 8.687 561 H ILE 79 H ILE 79 -12.053 -7.173 9.444 562 HA ILE 79 HA ILE 79 -14.799 -6.167 9.073 563 HB ILE 79 HB ILE 79 -13.594 -8.521 7.598 564 1HG1 ILE 79 2HG1 ILE 79 -12.885 -6.336 6.702 565 2HG1 ILE 79 1HG1 ILE 79 -13.934 -7.191 5.576 566 1HG2 ILE 79 1HG2 ILE 79 -16.388 -7.391 7.478 567 2HG2 ILE 79 2HG2 ILE 79 -15.916 -8.954 8.148 568 3HG2 ILE 79 3HG2 ILE 79 -15.747 -8.647 6.419 569 1HD1 ILE 79 1HD1 ILE 79 -14.766 -4.949 7.402 570 2HD1 ILE 79 2HD1 ILE 79 -15.808 -5.794 6.257 571 3HD1 ILE 79 3HD1 ILE 79 -14.459 -4.821 5.671 572 H ASP 80 H ASP 80 -16.463 -7.470 9.891 573 HA ASP 80 HA ASP 80 -16.152 -8.664 12.348 574 1HB ASP 80 2HB ASP 80 -18.328 -8.047 11.814 575 2HB ASP 80 1HB ASP 80 -18.265 -8.819 10.235 576 H SER 81 H SER 81 -16.423 -10.300 9.226 577 HA SER 81 HA SER 81 -15.801 -12.303 8.433 578 1HB SER 81 2HB SER 81 -13.719 -13.286 9.229 579 2HB SER 81 1HB SER 81 -13.570 -11.537 9.089 580 HG SER 81 HG SER 81 -14.245 -11.723 11.495 581 H SER 82 H SER 82 -17.739 -12.173 10.860 582 HA SER 82 HA SER 82 -17.493 -14.893 11.849 583 1HB SER 82 2HB SER 82 -19.697 -12.868 12.309 584 2HB SER 82 1HB SER 82 -19.446 -14.366 13.207 585 HG SER 82 HG SER 82 -18.160 -11.926 13.404 586 H LEU 83 H LEU 83 -20.269 -15.561 11.964 587 HA LEU 83 HA LEU 83 -20.700 -16.658 9.400 588 1HB LEU 83 2HB LEU 83 -21.672 -17.362 11.694 589 2HB LEU 83 1HB LEU 83 -22.892 -16.141 11.399 590 HG LEU 83 HG LEU 83 -23.576 -18.485 10.842 591 1HD1 LEU 83 1HD1 LEU 83 -24.755 -16.591 9.869 592 2HD1 LEU 83 2HD1 LEU 83 -24.660 -17.931 8.726 593 3HD1 LEU 83 3HD1 LEU 83 -23.594 -16.537 8.542 594 1HD2 LEU 83 1HD2 LEU 83 -21.587 -18.150 8.603 595 2HD2 LEU 83 2HD2 LEU 83 -22.759 -19.460 8.751 596 3HD2 LEU 83 3HD2 LEU 83 -21.472 -19.291 9.945 597 H SER 84 H SER 84 -21.889 -13.768 11.000 598 HA SER 84 HA SER 84 -23.777 -12.890 9.184 599 1HB SER 84 2HB SER 84 -22.756 -10.550 10.072 600 2HB SER 84 1HB SER 84 -23.814 -11.577 11.040 601 HG SER 84 HG SER 84 -21.027 -11.203 11.212 602 H ALA 85 H ALA 85 -20.308 -12.044 9.237 603 HA ALA 85 HA ALA 85 -20.402 -10.417 6.937 604 1HB ALA 85 1HB ALA 85 -18.608 -10.297 8.604 605 2HB ALA 85 2HB ALA 85 -17.975 -10.527 6.974 606 3HB ALA 85 3HB ALA 85 -18.037 -11.887 8.096 607 H ARG 86 H ARG 86 -19.531 -13.825 7.370 608 HA ARG 86 HA ARG 86 -18.730 -14.261 4.692 609 1HB ARG 86 2HB ARG 86 -19.625 -16.175 6.853 610 2HB ARG 86 1HB ARG 86 -19.041 -16.700 5.279 611 1HG ARG 86 2HG ARG 86 -16.895 -15.656 5.697 612 2HG ARG 86 1HG ARG 86 -17.474 -15.048 7.248 613 1HD ARG 86 2HD ARG 86 -17.373 -17.970 6.534 614 2HD ARG 86 1HD ARG 86 -16.064 -17.127 7.359 615 HE ARG 86 HE ARG 86 -18.183 -16.575 8.924 616 1HH1 ARG 86 1HH1 ARG 86 -17.047 -19.589 7.539 617 2HH1 ARG 86 2HH1 ARG 86 -17.501 -20.545 8.922 618 1HH2 ARG 86 1HH2 ARG 86 -18.760 -17.828 10.756 619 2HH2 ARG 86 2HH2 ARG 86 -18.480 -19.541 10.758 620 H LYS 87 H LYS 87 -21.807 -14.129 6.222 621 HA LYS 87 HA LYS 87 -23.238 -15.634 4.267 622 1HB LYS 87 2HB LYS 87 -24.013 -15.244 6.611 623 2HB LYS 87 1HB LYS 87 -24.296 -13.561 6.195 624 1HG LYS 87 2HG LYS 87 -26.374 -14.788 6.136 625 2HG LYS 87 1HG LYS 87 -25.937 -14.275 4.505 626 1HD LYS 87 2HD LYS 87 -26.727 -16.550 4.433 627 2HD LYS 87 1HD LYS 87 -24.997 -16.532 4.097 628 1HE LYS 87 2HE LYS 87 -24.579 -17.119 6.464 629 2HE LYS 87 1HE LYS 87 -26.321 -17.244 6.708 630 1HZ LYS 87 1HZ LYS 87 -26.418 -19.033 5.127 631 2HZ LYS 87 2HZ LYS 87 -25.238 -19.402 6.288 632 3HZ LYS 87 3HZ LYS 87 -24.773 -18.856 4.751 633 H GLU 88 H GLU 88 -22.757 -12.144 4.859 634 HA GLU 88 HA GLU 88 -24.379 -11.421 2.631 635 1HB GLU 88 2HB GLU 88 -23.589 -9.131 2.987 636 2HB GLU 88 1HB GLU 88 -24.151 -9.870 4.476 637 1HG GLU 88 2HG GLU 88 -21.888 -10.192 5.227 638 2HG GLU 88 1HG GLU 88 -21.258 -9.617 3.679 639 H LEU 89 H LEU 89 -20.874 -11.670 3.110 640 HA LEU 89 HA LEU 89 -20.050 -10.571 0.693 641 1HB LEU 89 2HB LEU 89 -18.483 -11.084 2.460 642 2HB LEU 89 1HB LEU 89 -18.823 -12.798 2.316 643 HG LEU 89 HG LEU 89 -17.786 -12.845 0.105 644 1HD1 LEU 89 1HD1 LEU 89 -16.592 -10.893 -0.762 645 2HD1 LEU 89 2HD1 LEU 89 -17.228 -9.920 0.562 646 3HD1 LEU 89 3HD1 LEU 89 -18.326 -10.596 -0.638 647 1HD2 LEU 89 1HD2 LEU 89 -15.475 -12.449 0.782 648 2HD2 LEU 89 2HD2 LEU 89 -16.386 -13.249 2.063 649 3HD2 LEU 89 3HD2 LEU 89 -16.036 -11.523 2.174 650 H ALA 90 H ALA 90 -21.069 -13.868 1.443 651 HA ALA 90 HA ALA 90 -20.382 -14.968 -1.067 652 1HB ALA 90 1HB ALA 90 -21.768 -16.867 -0.400 653 2HB ALA 90 2HB ALA 90 -22.409 -15.926 0.946 654 3HB ALA 90 3HB ALA 90 -20.698 -16.352 0.904 655 H LYS 91 H LYS 91 -23.387 -13.533 0.183 656 HA LYS 91 HA LYS 91 -24.899 -14.340 -2.108 657 1HB LYS 91 2HB LYS 91 -26.749 -13.187 -1.166 658 2HB LYS 91 1HB LYS 91 -25.893 -13.954 0.161 659 1HG LYS 91 2HG LYS 91 -24.872 -11.823 0.750 660 2HG LYS 91 1HG LYS 91 -25.702 -11.047 -0.601 661 1HD LYS 91 2HD LYS 91 -27.866 -11.786 0.424 662 2HD LYS 91 1HD LYS 91 -26.945 -12.311 1.834 663 1HE LYS 91 2HE LYS 91 -27.872 -10.105 2.216 664 2HE LYS 91 1HE LYS 91 -26.113 -10.018 2.122 665 1HZ LYS 91 1HZ LYS 91 -27.323 -8.243 0.880 666 2HZ LYS 91 2HZ LYS 91 -27.893 -9.433 -0.181 667 3HZ LYS 91 3HZ LYS 91 -26.230 -9.132 -0.065 668 H GLU 92 H GLU 92 -23.034 -11.521 -1.276 669 HA GLU 92 HA GLU 92 -24.062 -9.808 -3.274 670 1HB GLU 92 2HB GLU 92 -21.261 -9.868 -2.144 671 2HB GLU 92 1HB GLU 92 -22.004 -8.528 -3.005 672 1HG GLU 92 2HG GLU 92 -22.848 -9.620 -0.336 673 2HG GLU 92 1HG GLU 92 -21.991 -8.109 -0.632 674 H LEU 93 H LEU 93 -21.773 -12.415 -3.302 675 HA LEU 93 HA LEU 93 -20.904 -11.816 -6.014 676 1HB LEU 93 2HB LEU 93 -20.140 -14.043 -4.128 677 2HB LEU 93 1HB LEU 93 -19.414 -13.761 -5.700 678 HG LEU 93 HG LEU 93 -19.342 -11.771 -3.435 679 1HD1 LEU 93 1HD1 LEU 93 -18.124 -13.793 -2.838 680 2HD1 LEU 93 2HD1 LEU 93 -17.025 -12.443 -3.129 681 3HD1 LEU 93 3HD1 LEU 93 -17.222 -13.701 -4.349 682 1HD2 LEU 93 1HD2 LEU 93 -19.127 -10.761 -5.632 683 2HD2 LEU 93 2HD2 LEU 93 -17.860 -11.910 -6.056 684 3HD2 LEU 93 3HD2 LEU 93 -17.581 -10.722 -4.784 685 H GLY 94 H GLY 94 -23.414 -13.508 -4.548 686 1HA GLY 94 2HA GLY 94 -25.007 -14.186 -6.423 687 2HA GLY 94 1HA GLY 94 -23.707 -15.263 -6.902 688 H TYR 95 H TYR 95 -23.004 -15.863 -4.111 689 HA TYR 95 HA TYR 95 -23.411 -17.466 -2.558 690 1HB TYR 95 2HB TYR 95 -25.381 -15.956 -2.062 691 2HB TYR 95 1HB TYR 95 -26.357 -17.011 -3.068 692 HD1 TYR 95 1HD TYR 95 -26.742 -19.378 -2.329 693 HD2 TYR 95 2HD TYR 95 -24.847 -16.504 0.165 694 HE1 TYR 95 1HE TYR 95 -27.206 -20.783 -0.367 695 HE2 TYR 95 2HE TYR 95 -25.301 -17.900 2.134 696 HH TYR 95 HH TYR 95 -26.986 -19.683 2.775 697 H SER 96 H SER 96 -22.592 -19.226 -3.596 698 HA SER 96 HA SER 96 -24.560 -21.050 -4.759 699 1HB SER 96 2HB SER 96 -21.869 -20.473 -6.036 700 2HB SER 96 1HB SER 96 -23.096 -21.594 -6.630 701 HG SER 96 HG SER 96 -24.370 -19.366 -6.392 702 H GLY 97 H GLY 97 -24.164 -23.202 -4.320 703 1HA GLY 97 2HA GLY 97 -21.983 -24.601 -3.696 704 2HA GLY 97 1HA GLY 97 -22.207 -23.677 -2.216 705 H ASP 98 H ASP 98 -22.375 -26.584 -2.675 706 HA ASP 98 HA ASP 98 -24.818 -27.048 -1.244 707 1HB ASP 98 2HB ASP 98 -25.635 -26.912 -3.590 708 2HB ASP 98 1HB ASP 98 -24.584 -28.265 -4.002 709 H MET 99 H MET 99 -22.961 -29.136 -3.453 710 HA MET 99 HA MET 99 -22.630 -31.029 -1.238 711 1HB MET 99 2HB MET 99 -22.188 -32.697 -2.960 712 2HB MET 99 1HB MET 99 -23.684 -31.842 -3.314 713 1HG MET 99 2HG MET 99 -22.556 -30.489 -4.971 714 2HG MET 99 1HG MET 99 -21.018 -31.258 -4.582 715 1HE MET 99 1HE MET 99 -24.621 -31.787 -6.065 716 2HE MET 99 2HE MET 99 -24.532 -33.011 -4.799 717 3HE MET 99 3HE MET 99 -24.578 -33.498 -6.493 718 H ASN 100 H ASN 100 -20.951 -28.552 -2.079 719 HA ASN 100 HA ASN 100 -18.383 -29.795 -2.653 720 1HB ASN 100 2HB ASN 100 -17.617 -27.389 -2.839 721 2HB ASN 100 1HB ASN 100 -18.836 -27.897 -4.003 722 1HD2 ASN 100 1HD2 ASN 100 -18.183 -25.931 -1.209 723 2HD2 ASN 100 2HD2 ASN 100 -19.637 -24.999 -1.286 724 H ASP 101 H ASP 101 -20.102 -29.014 0.062 725 HA ASP 101 HA ASP 101 -19.632 -28.680 2.263 726 1HB ASP 101 2HB ASP 101 -18.398 -30.869 1.691 727 2HB ASP 101 1HB ASP 101 -16.927 -29.905 1.699 728 H SER 102 H SER 102 -16.961 -28.222 3.425 729 HA SER 102 HA SER 102 -16.872 -25.372 2.961 730 1HB SER 102 2HB SER 102 -15.090 -27.033 4.756 731 2HB SER 102 1HB SER 102 -15.430 -25.306 4.879 732 HG SER 102 HG SER 102 -17.231 -27.460 5.310 733 H ALA 103 H ALA 103 -15.225 -28.149 1.864 734 HA ALA 103 HA ALA 103 -12.629 -27.236 1.443 735 1HB ALA 103 1HB ALA 103 -13.271 -29.580 1.264 736 2HB ALA 103 2HB ALA 103 -12.435 -29.033 -0.191 737 3HB ALA 103 3HB ALA 103 -14.189 -29.224 -0.201 738 H SER 104 H SER 104 -15.074 -27.599 -1.126 739 HA SER 104 HA SER 104 -13.581 -25.905 -2.880 740 1HB SER 104 2HB SER 104 -16.441 -26.817 -3.234 741 2HB SER 104 1HB SER 104 -15.287 -26.368 -4.489 742 HG SER 104 HG SER 104 -14.001 -28.218 -3.501 743 H MET 105 H MET 105 -15.854 -25.331 -0.427 744 HA MET 105 HA MET 105 -17.239 -23.111 -1.497 745 1HB MET 105 2HB MET 105 -17.884 -24.489 0.538 746 2HB MET 105 1HB MET 105 -16.668 -23.582 1.427 747 1HG MET 105 2HG MET 105 -18.823 -22.620 1.826 748 2HG MET 105 1HG MET 105 -17.858 -21.498 0.866 749 1HE MET 105 1HE MET 105 -20.031 -20.131 0.245 750 2HE MET 105 2HE MET 105 -21.038 -21.238 1.181 751 3HE MET 105 3HE MET 105 -21.470 -20.845 -0.483 752 H ASN 106 H ASN 106 -14.392 -23.353 0.620 753 HA ASN 106 HA ASN 106 -13.928 -20.578 0.810 754 1HB ASN 106 2HB ASN 106 -12.851 -22.003 2.413 755 2HB ASN 106 1HB ASN 106 -12.059 -22.934 1.145 756 1HD2 ASN 106 1HD2 ASN 106 -10.186 -22.183 0.247 757 2HD2 ASN 106 2HD2 ASN 106 -9.344 -20.777 0.804 758 H ILE 107 H ILE 107 -13.078 -22.950 -1.589 759 HA ILE 107 HA ILE 107 -11.101 -21.392 -2.920 760 HB ILE 107 HB ILE 107 -12.737 -23.730 -3.910 761 1HG1 ILE 107 2HG1 ILE 107 -9.915 -23.592 -2.827 762 2HG1 ILE 107 1HG1 ILE 107 -11.310 -24.223 -1.957 763 1HG2 ILE 107 1HG2 ILE 107 -11.024 -23.956 -5.647 764 2HG2 ILE 107 2HG2 ILE 107 -10.257 -22.474 -5.075 765 3HG2 ILE 107 3HG2 ILE 107 -11.878 -22.417 -5.768 766 1HD1 ILE 107 1HD1 ILE 107 -9.986 -26.033 -2.836 767 2HD1 ILE 107 2HD1 ILE 107 -10.095 -25.365 -4.464 768 3HD1 ILE 107 3HD1 ILE 107 -11.542 -25.979 -3.663 769 H TRP 108 H TRP 108 -14.554 -22.008 -3.521 770 HA TRP 108 HA TRP 108 -14.756 -20.577 -5.923 771 1HB TRP 108 2HB TRP 108 -16.513 -22.094 -5.231 772 2HB TRP 108 1HB TRP 108 -16.848 -21.116 -3.805 773 HD1 TRP 108 HD TRP 108 -17.265 -21.043 -7.633 774 HE1 TRP 108 1HE TRP 108 -19.122 -19.356 -8.216 775 HE3 TRP 108 3HE TRP 108 -18.103 -19.130 -2.971 776 HZ2 TRP 108 2HZ TRP 108 -20.734 -17.462 -6.868 777 HZ3 TRP 108 3HZ TRP 108 -19.813 -17.385 -2.696 778 HH2 TRP 108 HH TRP 108 -21.097 -16.566 -4.603 779 H LEU 109 H LEU 109 -15.500 -19.537 -2.611 780 HA LEU 109 HA LEU 109 -16.211 -16.890 -3.257 781 1HB LEU 109 2HB LEU 109 -16.620 -18.202 -1.100 782 2HB LEU 109 1HB LEU 109 -14.975 -17.795 -0.657 783 HG LEU 109 HG LEU 109 -15.594 -15.378 -0.821 784 1HD1 LEU 109 1HD1 LEU 109 -17.482 -15.572 -2.318 785 2HD1 LEU 109 2HD1 LEU 109 -17.973 -14.803 -0.809 786 3HD1 LEU 109 3HD1 LEU 109 -18.373 -16.494 -1.109 787 1HD2 LEU 109 1HD2 LEU 109 -15.534 -16.536 1.331 788 2HD2 LEU 109 2HD2 LEU 109 -17.216 -17.024 1.117 789 3HD2 LEU 109 3HD2 LEU 109 -16.808 -15.317 1.292 790 H HIS 110 H HIS 110 -13.167 -18.442 -2.539 791 HA HIS 110 HA HIS 110 -11.484 -16.264 -2.121 792 1HB HIS 110 2HB HIS 110 -10.834 -18.586 -1.711 793 2HB HIS 110 1HB HIS 110 -10.915 -18.935 -3.430 794 HD1 HIS 110 1HD HIS 110 -8.717 -19.041 -4.492 795 HD2 HIS 110 2HD HIS 110 -8.732 -16.449 -1.227 796 HE1 HIS 110 1HE HIS 110 -6.349 -18.227 -4.252 797 HE2 HIS 110 2HE HIS 110 -6.344 -16.863 -2.134 798 H LYS 111 H LYS 111 -12.430 -17.861 -5.143 799 HA LYS 111 HA LYS 111 -10.804 -16.235 -6.817 800 1HB LYS 111 2HB LYS 111 -13.282 -17.837 -7.465 801 2HB LYS 111 1HB LYS 111 -12.208 -17.120 -8.656 802 1HG LYS 111 2HG LYS 111 -10.378 -18.541 -7.814 803 2HG LYS 111 1HG LYS 111 -11.519 -19.298 -6.695 804 1HD LYS 111 2HD LYS 111 -11.822 -19.259 -9.701 805 2HD LYS 111 1HD LYS 111 -11.172 -20.610 -8.772 806 1HE LYS 111 2HE LYS 111 -13.216 -21.138 -7.854 807 2HE LYS 111 1HE LYS 111 -13.846 -19.503 -8.052 808 1HZ LYS 111 1HZ LYS 111 -14.285 -19.854 -10.284 809 2HZ LYS 111 2HZ LYS 111 -14.712 -21.345 -9.590 810 3HZ LYS 111 3HZ LYS 111 -13.236 -21.178 -10.405 811 H GLN 112 H GLN 112 -14.263 -16.186 -6.011 812 HA GLN 112 HA GLN 112 -15.011 -14.190 -7.812 813 1HB GLN 112 2HB GLN 112 -16.270 -14.996 -5.191 814 2HB GLN 112 1HB GLN 112 -17.031 -13.930 -6.363 815 1HG GLN 112 2HG GLN 112 -16.252 -16.803 -6.789 816 2HG GLN 112 1HG GLN 112 -17.886 -16.180 -6.569 817 1HE2 GLN 112 1HE2 GLN 112 -15.189 -16.443 -8.732 818 2HE2 GLN 112 2HE2 GLN 112 -16.023 -15.945 -10.158 819 H VAL 113 H VAL 113 -14.218 -13.858 -4.338 820 HA VAL 113 HA VAL 113 -14.556 -11.074 -4.210 821 HB VAL 113 HB VAL 113 -12.659 -12.776 -2.577 822 1HG1 VAL 113 1HG1 VAL 113 -13.823 -10.057 -2.009 823 2HG1 VAL 113 2HG1 VAL 113 -12.144 -10.405 -2.414 824 3HG1 VAL 113 3HG1 VAL 113 -12.828 -11.003 -0.903 825 1HG2 VAL 113 1HG2 VAL 113 -14.952 -13.579 -2.444 826 2HG2 VAL 113 2HG2 VAL 113 -15.501 -11.959 -2.010 827 3HG2 VAL 113 3HG2 VAL 113 -14.439 -12.854 -0.921 828 H MET 114 H MET 114 -11.711 -13.043 -4.994 829 HA MET 114 HA MET 114 -9.860 -10.912 -4.931 830 1HB MET 114 2HB MET 114 -9.505 -13.510 -4.928 831 2HB MET 114 1HB MET 114 -9.459 -13.308 -6.677 832 1HG MET 114 2HG MET 114 -7.223 -13.280 -5.816 833 2HG MET 114 1HG MET 114 -7.638 -11.677 -6.419 834 1HE MET 114 1HE MET 114 -5.184 -12.496 -4.370 835 2HE MET 114 2HE MET 114 -5.225 -11.101 -3.291 836 3HE MET 114 3HE MET 114 -5.394 -10.874 -5.032 837 H SER 115 H SER 115 -11.915 -12.243 -7.441 838 HA SER 115 HA SER 115 -10.695 -10.885 -9.612 839 1HB SER 115 2HB SER 115 -12.154 -12.914 -9.811 840 2HB SER 115 1HB SER 115 -13.543 -11.892 -9.435 841 HG SER 115 HG SER 115 -13.332 -12.059 -11.664 842 H LYS 116 H LYS 116 -12.940 -9.910 -7.162 843 HA LYS 116 HA LYS 116 -13.767 -7.541 -8.650 844 1HB LYS 116 2HB LYS 116 -14.349 -8.207 -5.760 845 2HB LYS 116 1HB LYS 116 -15.171 -7.026 -6.763 846 1HG LYS 116 2HG LYS 116 -15.259 -10.011 -7.117 847 2HG LYS 116 1HG LYS 116 -16.527 -9.004 -6.420 848 1HD LYS 116 2HD LYS 116 -16.636 -7.785 -8.605 849 2HD LYS 116 1HD LYS 116 -15.532 -8.996 -9.265 850 1HE LYS 116 2HE LYS 116 -17.148 -10.759 -8.642 851 2HE LYS 116 1HE LYS 116 -18.257 -9.513 -8.075 852 1HZ LYS 116 1HZ LYS 116 -18.126 -8.600 -10.418 853 2HZ LYS 116 2HZ LYS 116 -18.959 -10.063 -10.222 854 3HZ LYS 116 3HZ LYS 116 -17.385 -10.064 -10.853 855 H LEU 117 H LEU 117 -11.179 -8.517 -6.826 856 HA LEU 117 HA LEU 117 -10.744 -5.914 -5.558 857 1HB LEU 117 2HB LEU 117 -10.662 -7.886 -4.115 858 2HB LEU 117 1HB LEU 117 -9.397 -8.577 -5.112 859 HG LEU 117 HG LEU 117 -7.919 -6.680 -4.481 860 1HD1 LEU 117 1HD1 LEU 117 -8.546 -5.294 -2.568 861 2HD1 LEU 117 2HD1 LEU 117 -10.158 -6.009 -2.582 862 3HD1 LEU 117 3HD1 LEU 117 -9.614 -5.032 -3.946 863 1HD2 LEU 117 1HD2 LEU 117 -7.507 -7.459 -2.187 864 2HD2 LEU 117 2HD2 LEU 117 -7.751 -8.792 -3.316 865 3HD2 LEU 117 3HD2 LEU 117 -9.046 -8.317 -2.217 866 H VAL 118 H VAL 118 -8.572 -8.379 -6.976 867 HA VAL 118 HA VAL 118 -6.558 -6.379 -7.344 868 HB VAL 118 HB VAL 118 -5.200 -8.182 -8.330 869 1HG1 VAL 118 1HG1 VAL 118 -5.216 -7.822 -5.927 870 2HG1 VAL 118 2HG1 VAL 118 -5.045 -9.538 -6.299 871 3HG1 VAL 118 3HG1 VAL 118 -6.599 -8.902 -5.763 872 1HG2 VAL 118 1HG2 VAL 118 -7.664 -9.868 -7.901 873 2HG2 VAL 118 2HG2 VAL 118 -6.064 -10.489 -8.309 874 3HG2 VAL 118 3HG2 VAL 118 -6.932 -9.462 -9.452 875 H ALA 119 H ALA 119 -9.097 -7.527 -9.312 876 HA ALA 119 HA ALA 119 -7.921 -7.198 -11.858 877 1HB ALA 119 1HB ALA 119 -10.003 -8.441 -11.519 878 2HB ALA 119 2HB ALA 119 -10.191 -7.168 -12.725 879 3HB ALA 119 3HB ALA 119 -10.824 -6.938 -11.097 880 H ASN 120 H ASN 120 -8.848 -4.918 -9.510 881 HA ASN 120 HA ASN 120 -9.404 -2.758 -11.333 882 1HB ASN 120 2HB ASN 120 -8.870 -2.736 -8.356 883 2HB ASN 120 1HB ASN 120 -9.385 -1.339 -9.292 884 1HD2 ASN 120 1HD2 ASN 120 -10.320 -4.251 -7.758 885 2HD2 ASN 120 2HD2 ASN 120 -12.025 -4.124 -8.046 886 H GLY 121 H GLY 121 -6.585 -4.268 -10.405 887 1HA GLY 121 2HA GLY 121 -4.585 -3.303 -11.571 888 2HA GLY 121 1HA GLY 121 -5.015 -1.792 -10.786 889 H GLY 122 H GLY 122 -5.546 -4.580 -8.912 890 1HA GLY 122 2HA GLY 122 -3.428 -3.834 -7.093 891 2HA GLY 122 1HA GLY 122 -4.639 -5.081 -6.837 892 H LYS 123 H LYS 123 -1.635 -4.930 -6.623 893 HA LYS 123 HA LYS 123 -0.834 -7.077 -8.430 894 1HB LYS 123 2HB LYS 123 0.797 -5.363 -8.263 895 2HB LYS 123 1HB LYS 123 0.643 -5.282 -6.514 896 1HG LYS 123 2HG LYS 123 1.561 -7.657 -6.485 897 2HG LYS 123 1HG LYS 123 2.000 -7.384 -8.170 898 1HD LYS 123 2HD LYS 123 3.493 -5.657 -7.614 899 2HD LYS 123 1HD LYS 123 2.822 -5.491 -5.989 900 1HE LYS 123 2HE LYS 123 3.643 -7.818 -5.521 901 2HE LYS 123 1HE LYS 123 4.482 -7.762 -7.070 902 1HZ LYS 123 1HZ LYS 123 5.920 -7.175 -5.204 903 2HZ LYS 123 2HZ LYS 123 4.912 -5.860 -4.826 904 3HZ LYS 123 3HZ LYS 123 5.762 -5.889 -6.298 905 H LEU 124 H LEU 124 -0.794 -9.134 -7.803 906 HA LEU 124 HA LEU 124 -0.499 -9.736 -4.969 907 1HB LEU 124 2HB LEU 124 -2.184 -11.481 -5.018 908 2HB LEU 124 1HB LEU 124 -2.887 -9.932 -5.400 909 HG LEU 124 HG LEU 124 -3.979 -11.529 -6.742 910 1HD1 LEU 124 1HD1 LEU 124 -3.390 -9.470 -7.941 911 2HD1 LEU 124 2HD1 LEU 124 -3.556 -10.865 -9.005 912 3HD1 LEU 124 3HD1 LEU 124 -1.953 -10.274 -8.574 913 1HD2 LEU 124 1HD2 LEU 124 -2.847 -13.086 -8.248 914 2HD2 LEU 124 2HD2 LEU 124 -2.473 -13.378 -6.549 915 3HD2 LEU 124 3HD2 LEU 124 -1.295 -12.574 -7.585 916 HA PRO 125 HA PRO 125 2.606 -12.569 -6.374 917 1HB PRO 125 2HB PRO 125 1.747 -14.320 -4.146 918 2HB PRO 125 1HB PRO 125 3.330 -13.602 -4.464 919 1HG PRO 125 2HG PRO 125 1.775 -12.698 -2.483 920 2HG PRO 125 1HG PRO 125 2.773 -11.596 -3.449 921 1HD PRO 125 2HD PRO 125 -0.166 -12.136 -3.619 922 2HD PRO 125 1HD PRO 125 0.708 -10.595 -3.758 923 HA PRO 126 HA PRO 126 0.351 -15.465 -8.857 924 1HB PRO 126 2HB PRO 126 2.798 -17.110 -8.917 925 2HB PRO 126 1HB PRO 126 1.953 -16.297 -10.239 926 1HG PRO 126 2HG PRO 126 4.306 -15.396 -9.345 927 2HG PRO 126 1HG PRO 126 3.027 -14.279 -9.862 928 1HD PRO 126 2HD PRO 126 3.824 -15.091 -7.087 929 2HD PRO 126 1HD PRO 126 3.438 -13.476 -7.719 930 H GLU 127 H GLU 127 0.312 -15.910 -5.925 931 HA GLU 127 HA GLU 127 0.214 -18.837 -5.773 932 1HB GLU 127 2HB GLU 127 -0.165 -16.835 -3.535 933 2HB GLU 127 1HB GLU 127 0.124 -18.562 -3.381 934 1HG GLU 127 2HG GLU 127 2.361 -18.245 -4.355 935 2HG GLU 127 1HG GLU 127 2.059 -16.509 -4.413 936 H ILE 128 H ILE 128 -1.687 -15.977 -5.976 937 HA ILE 128 HA ILE 128 -4.121 -17.413 -5.183 938 HB ILE 128 HB ILE 128 -3.697 -14.441 -5.597 939 1HG1 ILE 128 2HG1 ILE 128 -4.294 -14.476 -3.064 940 2HG1 ILE 128 1HG1 ILE 128 -3.824 -16.172 -3.134 941 1HG2 ILE 128 1HG2 ILE 128 -5.948 -14.194 -4.643 942 2HG2 ILE 128 2HG2 ILE 128 -6.130 -15.950 -4.644 943 3HG2 ILE 128 3HG2 ILE 128 -5.961 -15.077 -6.168 944 1HD1 ILE 128 1HD1 ILE 128 -2.074 -13.822 -3.837 945 2HD1 ILE 128 2HD1 ILE 128 -1.598 -15.520 -3.891 946 3HD1 ILE 128 3HD1 ILE 128 -2.004 -14.767 -2.350 947 H LYS 129 H LYS 129 -5.231 -18.308 -6.776 948 HA LYS 129 HA LYS 129 -5.909 -16.758 -9.121 949 1HB LYS 129 2HB LYS 129 -3.798 -17.793 -9.827 950 2HB LYS 129 1HB LYS 129 -4.413 -19.378 -9.388 951 1HG LYS 129 2HG LYS 129 -4.782 -19.440 -11.628 952 2HG LYS 129 1HG LYS 129 -6.311 -18.735 -11.110 953 1HD LYS 129 2HD LYS 129 -3.918 -17.190 -12.110 954 2HD LYS 129 1HD LYS 129 -5.350 -17.580 -13.059 955 1HE LYS 129 2HE LYS 129 -6.725 -16.279 -11.491 956 2HE LYS 129 1HE LYS 129 -5.273 -15.870 -10.575 957 1HZ LYS 129 1HZ LYS 129 -4.392 -14.848 -12.644 958 2HZ LYS 129 2HZ LYS 129 -5.754 -14.062 -12.017 959 3HZ LYS 129 3HZ LYS 129 -5.912 -15.081 -13.365 960 H HIS 130 H HIS 130 -6.032 -19.805 -7.398 961 HA HIS 130 HA HIS 130 -8.851 -20.106 -8.137 962 1HB HIS 130 2HB HIS 130 -7.505 -21.592 -9.583 963 2HB HIS 130 1HB HIS 130 -6.771 -22.311 -8.158 964 HD1 HIS 130 1HD HIS 130 -9.917 -22.282 -10.172 965 HD2 HIS 130 2HD HIS 130 -8.348 -24.184 -6.823 966 HE1 HIS 130 1HE HIS 130 -11.453 -24.224 -9.706 967 HE2 HIS 130 2HE HIS 130 -10.345 -25.485 -7.823 Start of MODEL 9 1 1H MET 1 1HT MET 1 -24.426 -7.243 3.184 2 2H MET 1 2HT MET 1 -24.393 -6.096 4.430 3 3H MET 1 3HT MET 1 -22.955 -6.840 3.930 4 HA MET 1 HA MET 1 -24.644 -5.026 2.301 5 1HB MET 1 2HB MET 1 -23.408 -3.902 4.122 6 2HB MET 1 1HB MET 1 -21.908 -4.583 3.514 7 1HG MET 1 2HG MET 1 -22.264 -3.351 1.394 8 2HG MET 1 1HG MET 1 -23.687 -2.601 2.116 9 1HE MET 1 1HE MET 1 -22.092 -0.598 5.098 10 2HE MET 1 2HE MET 1 -22.754 -2.232 5.123 11 3HE MET 1 3HE MET 1 -23.584 -0.957 4.231 12 H SER 2 H SER 2 -21.174 -5.411 2.137 13 HA SER 2 HA SER 2 -21.034 -7.327 0.080 14 1HB SER 2 2HB SER 2 -20.960 -4.428 -0.792 15 2HB SER 2 1HB SER 2 -20.213 -5.717 -1.733 16 HG SER 2 HG SER 2 -22.863 -6.101 -0.956 17 H ILE 3 H ILE 3 -19.433 -8.025 1.506 18 HA ILE 3 HA ILE 3 -17.454 -6.551 2.705 19 HB ILE 3 HB ILE 3 -17.248 -9.401 1.759 20 1HG1 ILE 3 2HG1 ILE 3 -18.319 -8.132 4.278 21 2HG1 ILE 3 1HG1 ILE 3 -19.155 -9.194 3.156 22 1HG2 ILE 3 1HG2 ILE 3 -15.568 -9.660 3.528 23 2HG2 ILE 3 2HG2 ILE 3 -15.649 -7.927 3.846 24 3HG2 ILE 3 3HG2 ILE 3 -15.057 -8.511 2.291 25 1HD1 ILE 3 1HD1 ILE 3 -18.601 -10.328 5.222 26 2HD1 ILE 3 2HD1 ILE 3 -16.891 -9.990 4.959 27 3HD1 ILE 3 3HD1 ILE 3 -17.761 -11.051 3.851 28 H PHE 4 H PHE 4 -17.316 -8.012 -0.536 29 HA PHE 4 HA PHE 4 -14.592 -7.552 -0.989 30 1HB PHE 4 2HB PHE 4 -15.225 -7.640 -3.449 31 2HB PHE 4 1HB PHE 4 -15.670 -9.037 -2.479 32 HD1 PHE 4 1HD PHE 4 -16.976 -6.009 -4.142 33 HD2 PHE 4 2HD PHE 4 -17.917 -9.691 -2.228 34 HE1 PHE 4 1HE PHE 4 -19.303 -5.813 -4.921 35 HE2 PHE 4 2HE PHE 4 -20.247 -9.500 -2.999 36 HZ PHE 4 HZ PHE 4 -20.943 -7.560 -4.348 37 H GLY 5 H GLY 5 -17.314 -5.379 -1.167 38 1HA GLY 5 2HA GLY 5 -15.785 -3.335 -2.559 39 2HA GLY 5 1HA GLY 5 -17.446 -3.197 -1.997 40 H LYS 6 H LYS 6 -16.216 -4.372 0.629 41 HA LYS 6 HA LYS 6 -15.793 -1.767 1.841 42 1HB LYS 6 2HB LYS 6 -15.876 -4.523 3.092 43 2HB LYS 6 1HB LYS 6 -15.859 -3.000 3.969 44 1HG LYS 6 2HG LYS 6 -18.034 -2.433 3.172 45 2HG LYS 6 1HG LYS 6 -18.042 -3.801 2.059 46 1HD LYS 6 2HD LYS 6 -19.299 -4.638 3.792 47 2HD LYS 6 1HD LYS 6 -17.691 -5.200 4.240 48 1HE LYS 6 2HE LYS 6 -19.157 -2.806 5.344 49 2HE LYS 6 1HE LYS 6 -18.804 -4.313 6.185 50 1HZ LYS 6 1HZ LYS 6 -17.225 -2.787 6.945 51 2HZ LYS 6 2HZ LYS 6 -16.925 -2.161 5.399 52 3HZ LYS 6 3HZ LYS 6 -16.378 -3.711 5.805 53 H ILE 7 H ILE 7 -14.077 -4.858 1.526 54 HA ILE 7 HA ILE 7 -11.777 -4.064 2.946 55 HB ILE 7 HB ILE 7 -10.657 -6.010 1.857 56 1HG1 ILE 7 2HG1 ILE 7 -13.350 -6.412 0.530 57 2HG1 ILE 7 1HG1 ILE 7 -11.895 -5.870 -0.299 58 1HG2 ILE 7 1HG2 ILE 7 -13.378 -6.507 3.058 59 2HG2 ILE 7 2HG2 ILE 7 -11.870 -6.272 3.939 60 3HG2 ILE 7 3HG2 ILE 7 -12.086 -7.701 2.928 61 1HD1 ILE 7 1HD1 ILE 7 -12.321 -8.240 -0.657 62 2HD1 ILE 7 2HD1 ILE 7 -12.230 -8.519 1.085 63 3HD1 ILE 7 3HD1 ILE 7 -10.803 -7.974 0.202 64 H MET 8 H MET 8 -12.604 -3.830 -0.482 65 HA MET 8 HA MET 8 -10.023 -3.192 -1.420 66 1HB MET 8 2HB MET 8 -11.098 -2.347 -3.422 67 2HB MET 8 1HB MET 8 -11.888 -3.833 -2.918 68 1HG MET 8 2HG MET 8 -13.763 -2.661 -2.086 69 2HG MET 8 1HG MET 8 -12.938 -1.111 -2.226 70 1HE MET 8 1HE MET 8 -13.076 -4.118 -4.776 71 2HE MET 8 2HE MET 8 -14.405 -3.612 -5.818 72 3HE MET 8 3HE MET 8 -14.720 -4.039 -4.137 73 H SER 9 H SER 9 -12.403 -1.330 0.252 74 HA SER 9 HA SER 9 -11.447 1.238 -0.555 75 1HB SER 9 2HB SER 9 -13.248 0.441 1.743 76 2HB SER 9 1HB SER 9 -13.015 2.084 1.139 77 HG SER 9 HG SER 9 -14.646 0.148 0.206 78 H ALA 10 H ALA 10 -10.378 -1.059 1.712 79 HA ALA 10 HA ALA 10 -8.912 0.970 3.241 80 1HB ALA 10 1HB ALA 10 -10.135 -0.745 4.493 81 2HB ALA 10 2HB ALA 10 -8.401 -0.826 4.806 82 3HB ALA 10 3HB ALA 10 -9.163 -1.997 3.727 83 H ILE 11 H ILE 11 -8.554 -1.035 0.595 84 HA ILE 11 HA ILE 11 -5.648 -1.303 0.928 85 HB ILE 11 HB ILE 11 -7.461 -2.567 -1.139 86 1HG1 ILE 11 2HG1 ILE 11 -6.145 -3.838 1.271 87 2HG1 ILE 11 1HG1 ILE 11 -7.831 -3.352 1.210 88 1HG2 ILE 11 1HG2 ILE 11 -5.545 -3.975 -1.670 89 2HG2 ILE 11 2HG2 ILE 11 -4.568 -3.107 -0.484 90 3HG2 ILE 11 3HG2 ILE 11 -5.165 -2.270 -1.919 91 1HD1 ILE 11 1HD1 ILE 11 -6.539 -5.415 -0.553 92 2HD1 ILE 11 2HD1 ILE 11 -8.236 -4.934 -0.598 93 3HD1 ILE 11 3HD1 ILE 11 -7.583 -5.737 0.831 94 H PHE 12 H PHE 12 -8.061 -0.328 -1.509 95 HA PHE 12 HA PHE 12 -6.032 0.933 -3.138 96 1HB PHE 12 2HB PHE 12 -9.032 0.688 -3.417 97 2HB PHE 12 1HB PHE 12 -8.035 1.583 -4.560 98 HD1 PHE 12 1HD PHE 12 -6.927 0.488 -6.295 99 HD2 PHE 12 2HD PHE 12 -8.547 -1.783 -3.082 100 HE1 PHE 12 1HE PHE 12 -6.446 -1.588 -7.523 101 HE2 PHE 12 2HE PHE 12 -8.070 -3.858 -4.311 102 HZ PHE 12 HZ PHE 12 -7.016 -3.763 -6.530 103 H GLY 13 H GLY 13 -7.398 1.818 -0.367 104 1HA GLY 13 2HA GLY 13 -7.369 4.679 -1.092 105 2HA GLY 13 1HA GLY 13 -8.369 4.019 0.198 106 H ASP 14 H ASP 14 -5.326 2.560 -0.064 107 HA ASP 14 HA ASP 14 -4.554 3.641 2.501 108 1HB ASP 14 2HB ASP 14 -4.267 1.231 1.994 109 2HB ASP 14 1HB ASP 14 -3.115 1.650 0.730 110 H SER 15 H SER 15 -2.462 4.575 2.922 111 HA SER 15 HA SER 15 -1.100 5.649 0.569 112 1HB SER 15 2HB SER 15 -1.856 7.278 3.002 113 2HB SER 15 1HB SER 15 -0.862 7.845 1.657 114 HG SER 15 HG SER 15 -3.020 6.850 0.567 115 H ALA 16 H ALA 16 0.186 3.727 1.208 116 HA ALA 16 HA ALA 16 2.341 3.130 1.594 117 1HB ALA 16 1HB ALA 16 2.950 5.462 1.177 118 2HB ALA 16 2HB ALA 16 3.969 4.733 2.419 119 3HB ALA 16 3HB ALA 16 2.672 5.836 2.879 120 H ALA 17 H ALA 17 0.275 2.340 3.387 121 HA ALA 17 HA ALA 17 1.461 2.436 6.029 122 1HB ALA 17 1HB ALA 17 -0.797 0.708 5.011 123 2HB ALA 17 2HB ALA 17 -0.976 2.283 5.782 124 3HB ALA 17 3HB ALA 17 -0.331 0.922 6.699 125 H ALA 18 H ALA 18 3.488 1.590 5.837 126 HA ALA 18 HA ALA 18 5.128 0.026 5.823 127 1HB ALA 18 1HB ALA 18 2.876 -1.976 5.961 128 2HB ALA 18 2HB ALA 18 3.632 -1.192 7.347 129 3HB ALA 18 3HB ALA 18 4.573 -2.284 6.330 130 H SER 19 H SER 19 4.106 1.070 3.392 131 HA SER 19 HA SER 19 3.742 -0.823 1.369 132 1HB SER 19 2HB SER 19 4.572 1.085 -0.118 133 2HB SER 19 1HB SER 19 3.186 1.440 0.915 134 HG SER 19 HG SER 19 5.755 1.929 1.911 135 HA PRO 20 HA PRO 20 7.668 -2.684 0.775 136 1HB PRO 20 2HB PRO 20 7.688 -3.079 -1.920 137 2HB PRO 20 1HB PRO 20 6.711 -4.041 -0.806 138 1HG PRO 20 2HG PRO 20 5.905 -1.724 -2.520 139 2HG PRO 20 1HG PRO 20 5.042 -3.244 -2.211 140 1HD PRO 20 2HD PRO 20 4.401 -0.931 -0.962 141 2HD PRO 20 1HD PRO 20 4.232 -2.513 -0.176 142 H GLY 21 H GLY 21 9.744 -2.086 0.485 143 1HA GLY 21 2HA GLY 21 11.544 -0.982 -0.566 144 2HA GLY 21 1HA GLY 21 10.395 0.055 -1.402 145 H GLY 22 H GLY 22 10.541 -0.681 2.039 146 1HA GLY 22 2HA GLY 22 10.562 2.183 2.599 147 2HA GLY 22 1HA GLY 22 10.238 0.898 3.755 148 H ALA 23 H ALA 23 12.049 3.205 3.917 149 HA ALA 23 HA ALA 23 14.692 1.947 3.957 150 1HB ALA 23 1HB ALA 23 15.546 4.202 4.328 151 2HB ALA 23 2HB ALA 23 13.898 4.820 4.428 152 3HB ALA 23 3HB ALA 23 14.496 4.151 2.911 153 H GLN 24 H GLN 24 16.066 2.804 5.912 154 HA GLN 24 HA GLN 24 14.478 2.395 8.368 155 1HB GLN 24 2HB GLN 24 17.202 1.374 7.601 156 2HB GLN 24 1HB GLN 24 16.738 1.534 9.290 157 1HG GLN 24 2HG GLN 24 15.143 -0.043 7.292 158 2HG GLN 24 1HG GLN 24 16.430 -0.740 8.276 159 1HE2 GLN 24 1HE2 GLN 24 16.125 -0.960 10.495 160 2HE2 GLN 24 2HE2 GLN 24 14.560 -0.866 11.226 161 H ALA 25 H ALA 25 14.365 4.173 9.543 162 HA ALA 25 HA ALA 25 16.547 6.133 9.382 163 1HB ALA 25 1HB ALA 25 14.308 6.995 8.892 164 2HB ALA 25 2HB ALA 25 14.952 7.724 10.363 165 3HB ALA 25 3HB ALA 25 13.744 6.444 10.469 166 HA PRO 26 HA PRO 26 17.553 4.463 13.437 167 1HB PRO 26 2HB PRO 26 20.117 5.203 13.459 168 2HB PRO 26 1HB PRO 26 19.561 3.888 12.416 169 1HG PRO 26 2HG PRO 26 20.154 6.736 11.725 170 2HG PRO 26 1HG PRO 26 20.543 5.262 10.820 171 1HD PRO 26 2HD PRO 26 18.387 6.914 10.295 172 2HD PRO 26 1HD PRO 26 18.493 5.208 9.817 173 H ALA 27 H ALA 27 18.733 5.464 15.378 174 HA ALA 27 HA ALA 27 17.790 8.218 15.686 175 1HB ALA 27 1HB ALA 27 17.010 6.620 17.358 176 2HB ALA 27 2HB ALA 27 18.043 7.846 18.093 177 3HB ALA 27 3HB ALA 27 18.678 6.231 17.779 178 H THR 28 H THR 28 19.436 9.290 14.609 179 HA THR 28 HA THR 28 22.168 8.924 15.606 180 HB THR 28 HB THR 28 21.260 10.543 13.214 181 HG1 THR 28 1HG THR 28 21.073 8.011 13.412 182 1HG2 THR 28 1HG2 THR 28 23.980 9.481 14.007 183 2HG2 THR 28 2HG2 THR 28 23.467 11.167 14.092 184 3HG2 THR 28 3HG2 THR 28 23.608 10.367 12.527 185 H THR 29 H THR 29 22.847 10.255 17.142 186 HA THR 29 HA THR 29 21.434 12.803 17.488 187 HB THR 29 HB THR 29 21.464 11.285 19.445 188 HG1 THR 29 1HG THR 29 22.686 13.004 20.826 189 1HG2 THR 29 1HG2 THR 29 24.444 11.766 19.419 190 2HG2 THR 29 2HG2 THR 29 23.642 10.235 19.064 191 3HG2 THR 29 3HG2 THR 29 23.541 10.929 20.682 192 H GLY 30 H GLY 30 22.578 14.726 17.866 193 1HA GLY 30 2HA GLY 30 25.173 15.340 18.042 194 2HA GLY 30 1HA GLY 30 25.053 14.880 16.348 195 H ALA 31 H ALA 31 22.497 15.844 15.804 196 HA ALA 31 HA ALA 31 21.340 17.685 15.183 197 1HB ALA 31 1HB ALA 31 21.431 19.734 16.447 198 2HB ALA 31 2HB ALA 31 22.927 19.221 17.229 199 3HB ALA 31 3HB ALA 31 21.423 18.358 17.552 200 H ALA 32 H ALA 32 24.636 18.843 15.866 201 HA ALA 32 HA ALA 32 24.690 20.504 13.548 202 1HB ALA 32 1HB ALA 32 26.973 19.578 15.288 203 2HB ALA 32 2HB ALA 32 26.002 21.027 15.546 204 3HB ALA 32 3HB ALA 32 27.028 20.897 14.117 205 H GLY 33 H GLY 33 25.287 20.061 11.538 206 1HA GLY 33 2HA GLY 33 27.032 18.565 10.309 207 2HA GLY 33 1HA GLY 33 26.003 17.283 10.941 208 H THR 34 H THR 34 26.595 19.013 8.257 209 HA THR 34 HA THR 34 23.884 19.675 7.517 210 HB THR 34 HB THR 34 25.028 20.279 5.294 211 HG1 THR 34 1HG THR 34 27.376 20.732 5.784 212 1HG2 THR 34 1HG2 THR 34 24.339 21.943 6.939 213 2HG2 THR 34 2HG2 THR 34 25.885 22.385 6.215 214 3HG2 THR 34 3HG2 THR 34 25.836 21.695 7.837 215 H ALA 35 H ALA 35 22.584 18.080 6.979 216 HA ALA 35 HA ALA 35 23.574 16.057 5.074 217 1HB ALA 35 1HB ALA 35 21.337 15.790 7.082 218 2HB ALA 35 2HB ALA 35 22.940 15.066 7.213 219 3HB ALA 35 3HB ALA 35 21.844 14.556 5.929 220 HA PRO 36 HA PRO 36 20.896 18.469 2.400 221 1HB PRO 36 2HB PRO 36 21.306 16.904 0.183 222 2HB PRO 36 1HB PRO 36 22.409 18.180 0.710 223 1HG PRO 36 2HG PRO 36 22.573 15.228 1.173 224 2HG PRO 36 1HG PRO 36 23.858 16.365 0.724 225 1HD PRO 36 2HD PRO 36 23.576 15.504 3.247 226 2HD PRO 36 1HD PRO 36 24.073 17.172 2.889 227 H THR 37 H THR 37 18.802 18.306 1.831 228 HA THR 37 HA THR 37 17.522 15.683 2.157 229 HB THR 37 HB THR 37 16.144 18.374 2.020 230 HG1 THR 37 1HG THR 37 17.351 17.010 4.183 231 1HG2 THR 37 1HG2 THR 37 14.305 17.173 3.118 232 2HG2 THR 37 2HG2 THR 37 15.246 15.684 3.073 233 3HG2 THR 37 3HG2 THR 37 14.714 16.439 1.569 234 H ALA 38 H ALA 38 17.886 14.801 0.132 235 HA ALA 38 HA ALA 38 16.881 16.296 -2.180 236 1HB ALA 38 1HB ALA 38 18.551 13.786 -2.093 237 2HB ALA 38 2HB ALA 38 19.153 15.418 -2.379 238 3HB ALA 38 3HB ALA 38 18.073 14.658 -3.549 239 HA PRO 39 HA PRO 39 13.449 13.402 -1.696 240 1HB PRO 39 2HB PRO 39 11.523 15.046 -2.604 241 2HB PRO 39 1HB PRO 39 12.181 15.181 -0.971 242 1HG PRO 39 2HG PRO 39 12.651 16.891 -3.346 243 2HG PRO 39 1HG PRO 39 12.683 17.315 -1.628 244 1HD PRO 39 2HD PRO 39 14.909 16.791 -3.295 245 2HD PRO 39 1HD PRO 39 14.920 16.994 -1.534 246 H GLN 40 H GLN 40 13.877 11.901 -3.229 247 HA GLN 40 HA GLN 40 13.811 12.549 -6.043 248 1HB GLN 40 2HB GLN 40 13.898 9.829 -4.722 249 2HB GLN 40 1HB GLN 40 14.257 10.187 -6.405 250 1HG GLN 40 2HG GLN 40 16.183 11.548 -5.666 251 2HG GLN 40 1HG GLN 40 15.843 11.073 -4.002 252 1HE2 GLN 40 1HE2 GLN 40 18.228 10.608 -5.531 253 2HE2 GLN 40 2HE2 GLN 40 18.444 8.890 -5.601 254 HA PRO 41 HA PRO 41 9.427 12.397 -6.465 255 1HB PRO 41 2HB PRO 41 9.470 11.568 -9.140 256 2HB PRO 41 1HB PRO 41 9.458 13.235 -8.564 257 1HG PRO 41 2HG PRO 41 11.742 11.560 -9.476 258 2HG PRO 41 1HG PRO 41 11.473 13.303 -9.665 259 1HD PRO 41 2HD PRO 41 13.214 12.341 -7.865 260 2HD PRO 41 1HD PRO 41 12.228 13.779 -7.525 261 H THR 42 H THR 42 8.399 10.808 -5.493 262 HA THR 42 HA THR 42 8.731 8.059 -6.491 263 HB THR 42 HB THR 42 9.233 8.314 -4.105 264 HG1 THR 42 1HG THR 42 7.971 6.431 -5.006 265 1HG2 THR 42 1HG2 THR 42 7.837 10.267 -3.632 266 2HG2 THR 42 2HG2 THR 42 7.506 8.956 -2.499 267 3HG2 THR 42 3HG2 THR 42 6.387 9.282 -3.823 268 H ALA 43 H ALA 43 6.830 6.794 -6.877 269 HA ALA 43 HA ALA 43 4.291 8.225 -6.969 270 1HB ALA 43 1HB ALA 43 5.340 8.701 -9.127 271 2HB ALA 43 2HB ALA 43 3.903 7.697 -9.309 272 3HB ALA 43 3HB ALA 43 5.506 6.971 -9.427 273 H ALA 44 H ALA 44 2.508 6.762 -7.659 274 HA ALA 44 HA ALA 44 3.004 3.925 -7.268 275 1HB ALA 44 1HB ALA 44 1.062 5.457 -5.532 276 2HB ALA 44 2HB ALA 44 2.587 4.745 -5.000 277 3HB ALA 44 3HB ALA 44 1.273 3.706 -5.551 278 HA PRO 45 HA PRO 45 -0.203 4.700 -10.421 279 1HB PRO 45 2HB PRO 45 0.937 3.379 -12.430 280 2HB PRO 45 1HB PRO 45 1.502 4.985 -11.963 281 1HG PRO 45 2HG PRO 45 2.702 2.314 -11.400 282 2HG PRO 45 1HG PRO 45 3.503 3.849 -11.775 283 1HD PRO 45 2HD PRO 45 3.149 2.769 -9.219 284 2HD PRO 45 1HD PRO 45 3.565 4.455 -9.585 285 H SER 46 H SER 46 0.794 2.139 -8.621 286 HA SER 46 HA SER 46 -1.454 0.506 -9.480 287 1HB SER 46 2HB SER 46 1.340 -0.632 -9.168 288 2HB SER 46 1HB SER 46 -0.123 -1.544 -9.548 289 HG SER 46 HG SER 46 -0.007 0.368 -11.324 290 H ILE 47 H ILE 47 -2.216 -0.890 -7.817 291 HA ILE 47 HA ILE 47 -1.418 0.027 -5.152 292 HB ILE 47 HB ILE 47 -3.877 -1.441 -6.115 293 1HG1 ILE 47 2HG1 ILE 47 -3.812 0.928 -6.705 294 2HG1 ILE 47 1HG1 ILE 47 -5.037 0.631 -5.475 295 1HG2 ILE 47 1HG2 ILE 47 -4.754 -1.187 -3.842 296 2HG2 ILE 47 2HG2 ILE 47 -3.191 -0.561 -3.316 297 3HG2 ILE 47 3HG2 ILE 47 -3.329 -2.225 -3.890 298 1HD1 ILE 47 1HD1 ILE 47 -3.825 2.672 -5.007 299 2HD1 ILE 47 2HD1 ILE 47 -2.299 1.787 -5.013 300 3HD1 ILE 47 3HD1 ILE 47 -3.499 1.465 -3.761 301 H ASP 48 H ASP 48 0.129 -1.201 -4.239 302 HA ASP 48 HA ASP 48 0.424 -3.992 -4.929 303 1HB ASP 48 2HB ASP 48 2.246 -2.164 -4.292 304 2HB ASP 48 1HB ASP 48 1.929 -2.759 -2.668 305 H VAL 49 H VAL 49 -1.006 -5.370 -4.075 306 HA VAL 49 HA VAL 49 -2.437 -4.673 -1.660 307 HB VAL 49 HB VAL 49 -2.727 -7.119 -3.416 308 1HG1 VAL 49 1HG1 VAL 49 -4.610 -5.959 -1.367 309 2HG1 VAL 49 2HG1 VAL 49 -3.655 -7.428 -1.172 310 3HG1 VAL 49 3HG1 VAL 49 -4.925 -7.358 -2.394 311 1HG2 VAL 49 1HG2 VAL 49 -3.126 -5.073 -4.668 312 2HG2 VAL 49 2HG2 VAL 49 -4.259 -4.525 -3.433 313 3HG2 VAL 49 3HG2 VAL 49 -4.635 -5.947 -4.406 314 H ALA 50 H ALA 50 0.037 -6.914 -2.628 315 HA ALA 50 HA ALA 50 -0.259 -8.912 -0.727 316 1HB ALA 50 1HB ALA 50 1.199 -9.117 -2.678 317 2HB ALA 50 2HB ALA 50 2.051 -9.516 -1.186 318 3HB ALA 50 3HB ALA 50 2.320 -7.957 -1.964 319 HA PRO 51 HA PRO 51 2.932 -6.663 2.150 320 1HB PRO 51 2HB PRO 51 3.095 -3.941 1.878 321 2HB PRO 51 1HB PRO 51 4.215 -5.077 1.116 322 1HG PRO 51 2HG PRO 51 1.840 -3.682 -0.048 323 2HG PRO 51 1HG PRO 51 3.432 -3.979 -0.771 324 1HD PRO 51 2HD PRO 51 1.287 -5.472 -1.394 325 2HD PRO 51 1HD PRO 51 2.922 -6.156 -1.318 326 H ILE 52 H ILE 52 0.171 -4.708 1.090 327 HA ILE 52 HA ILE 52 -0.413 -3.490 3.533 328 HB ILE 52 HB ILE 52 -2.321 -4.253 1.318 329 1HG1 ILE 52 2HG1 ILE 52 -0.846 -1.668 1.880 330 2HG1 ILE 52 1HG1 ILE 52 -0.478 -2.798 0.582 331 1HG2 ILE 52 1HG2 ILE 52 -3.520 -3.805 3.391 332 2HG2 ILE 52 2HG2 ILE 52 -3.782 -2.505 2.229 333 3HG2 ILE 52 3HG2 ILE 52 -2.664 -2.273 3.573 334 1HD1 ILE 52 1HD1 ILE 52 -1.711 -0.879 -0.240 335 2HD1 ILE 52 2HD1 ILE 52 -3.025 -1.222 0.886 336 3HD1 ILE 52 3HD1 ILE 52 -2.660 -2.354 -0.417 337 H LEU 53 H LEU 53 -1.400 -6.635 2.235 338 HA LEU 53 HA LEU 53 -3.141 -7.066 4.526 339 1HB LEU 53 2HB LEU 53 -2.659 -8.514 1.966 340 2HB LEU 53 1HB LEU 53 -3.310 -9.413 3.324 341 HG LEU 53 HG LEU 53 -5.194 -7.808 3.454 342 1HD1 LEU 53 1HD1 LEU 53 -4.122 -5.862 2.476 343 2HD1 LEU 53 2HD1 LEU 53 -5.596 -6.275 1.602 344 3HD1 LEU 53 3HD1 LEU 53 -4.023 -6.685 0.917 345 1HD2 LEU 53 1HD2 LEU 53 -4.821 -9.122 0.769 346 2HD2 LEU 53 2HD2 LEU 53 -6.357 -8.601 1.464 347 3HD2 LEU 53 3HD2 LEU 53 -5.436 -9.893 2.232 348 H ASP 54 H ASP 54 -0.065 -8.157 3.256 349 HA ASP 54 HA ASP 54 0.410 -10.234 5.093 350 1HB ASP 54 2HB ASP 54 1.733 -9.817 3.018 351 2HB ASP 54 1HB ASP 54 2.463 -8.419 3.797 352 H LYS 55 H LYS 55 0.766 -6.758 5.311 353 HA LYS 55 HA LYS 55 1.974 -6.914 7.941 354 1HB LYS 55 2HB LYS 55 0.946 -4.531 6.387 355 2HB LYS 55 1HB LYS 55 1.801 -4.444 7.918 356 1HG LYS 55 2HG LYS 55 2.902 -5.411 5.286 357 2HG LYS 55 1HG LYS 55 3.301 -3.910 6.119 358 1HD LYS 55 2HD LYS 55 5.072 -5.157 6.804 359 2HD LYS 55 1HD LYS 55 3.922 -5.623 8.058 360 1HE LYS 55 2HE LYS 55 4.798 -7.654 7.329 361 2HE LYS 55 1HE LYS 55 3.256 -7.521 6.478 362 1HZ LYS 55 1HZ LYS 55 4.916 -8.253 4.956 363 2HZ LYS 55 2HZ LYS 55 5.954 -6.972 5.366 364 3HZ LYS 55 3HZ LYS 55 4.507 -6.658 4.546 365 H ALA 56 H ALA 56 -1.180 -6.461 6.517 366 HA ALA 56 HA ALA 56 -2.535 -5.424 8.758 367 1HB ALA 56 1HB ALA 56 -3.470 -5.350 6.513 368 2HB ALA 56 2HB ALA 56 -4.583 -6.141 7.628 369 3HB ALA 56 3HB ALA 56 -3.623 -7.105 6.502 370 H VAL 57 H VAL 57 -1.670 -8.684 7.830 371 HA VAL 57 HA VAL 57 -3.311 -10.124 9.590 372 HB VAL 57 HB VAL 57 -0.535 -10.763 8.562 373 1HG1 VAL 57 1HG1 VAL 57 -2.521 -12.582 9.917 374 2HG1 VAL 57 2HG1 VAL 57 -0.982 -12.041 10.589 375 3HG1 VAL 57 3HG1 VAL 57 -1.006 -13.086 9.167 376 1HG2 VAL 57 1HG2 VAL 57 -3.261 -11.683 7.661 377 2HG2 VAL 57 2HG2 VAL 57 -1.720 -12.217 6.990 378 3HG2 VAL 57 3HG2 VAL 57 -2.223 -10.535 6.816 379 H LYS 58 H LYS 58 -0.038 -8.853 10.013 380 HA LYS 58 HA LYS 58 0.289 -9.696 12.692 381 1HB LYS 58 2HB LYS 58 1.597 -7.350 11.300 382 2HB LYS 58 1HB LYS 58 2.203 -8.196 12.715 383 1HG LYS 58 2HG LYS 58 2.774 -10.103 11.468 384 2HG LYS 58 1HG LYS 58 1.810 -9.582 10.083 385 1HD LYS 58 2HD LYS 58 4.219 -9.266 9.696 386 2HD LYS 58 1HD LYS 58 3.337 -7.738 9.681 387 1HE LYS 58 2HE LYS 58 4.032 -7.323 11.996 388 2HE LYS 58 1HE LYS 58 4.919 -8.844 12.000 389 1HZ LYS 58 1HZ LYS 58 5.487 -6.520 10.233 390 2HZ LYS 58 2HZ LYS 58 6.344 -7.982 10.249 391 3HZ LYS 58 3HZ LYS 58 6.375 -6.963 11.605 392 H ALA 59 H ALA 59 -0.946 -6.770 11.191 393 HA ALA 59 HA ALA 59 -1.083 -5.215 13.564 394 1HB ALA 59 1HB ALA 59 -2.612 -4.887 10.983 395 2HB ALA 59 2HB ALA 59 -1.011 -4.224 11.315 396 3HB ALA 59 3HB ALA 59 -2.405 -3.665 12.238 397 H LYS 60 H LYS 60 -3.242 -7.502 12.015 398 HA LYS 60 HA LYS 60 -5.560 -6.808 13.482 399 1HB LYS 60 2HB LYS 60 -5.476 -8.212 11.364 400 2HB LYS 60 1HB LYS 60 -4.936 -9.548 12.377 401 1HG LYS 60 2HG LYS 60 -7.006 -9.219 13.748 402 2HG LYS 60 1HG LYS 60 -7.552 -8.079 12.519 403 1HD LYS 60 2HD LYS 60 -7.540 -9.794 10.847 404 2HD LYS 60 1HD LYS 60 -6.835 -10.950 11.984 405 1HE LYS 60 2HE LYS 60 -9.279 -11.217 11.693 406 2HE LYS 60 1HE LYS 60 -8.795 -10.882 13.356 407 1HZ LYS 60 1HZ LYS 60 -9.471 -8.608 13.110 408 2HZ LYS 60 2HZ LYS 60 -10.759 -9.598 12.613 409 3HZ LYS 60 3HZ LYS 60 -9.794 -8.824 11.459 410 H GLY 61 H GLY 61 -3.294 -9.558 13.875 411 1HA GLY 61 2HA GLY 61 -2.554 -9.145 16.445 412 2HA GLY 61 1HA GLY 61 -4.135 -9.880 16.636 413 H GLU 62 H GLU 62 -4.011 -11.697 14.504 414 HA GLU 62 HA GLU 62 -2.088 -13.597 15.665 415 1HB GLU 62 2HB GLU 62 -3.787 -15.345 14.974 416 2HB GLU 62 1HB GLU 62 -4.290 -14.272 16.273 417 1HG GLU 62 2HG GLU 62 -5.342 -12.891 14.315 418 2HG GLU 62 1HG GLU 62 -5.259 -14.431 13.463 419 H LYS 63 H LYS 63 -1.491 -15.414 14.094 420 HA LYS 63 HA LYS 63 -0.893 -14.129 11.534 421 1HB LYS 63 2HB LYS 63 0.879 -15.241 13.116 422 2HB LYS 63 1HB LYS 63 0.324 -16.737 12.379 423 1HG LYS 63 2HG LYS 63 1.337 -14.369 10.816 424 2HG LYS 63 1HG LYS 63 2.344 -15.727 11.310 425 1HD LYS 63 2HD LYS 63 1.260 -17.209 9.874 426 2HD LYS 63 1HD LYS 63 -0.169 -16.180 9.737 427 1HE LYS 63 2HE LYS 63 1.123 -14.550 8.468 428 2HE LYS 63 1HE LYS 63 2.561 -15.559 8.612 429 1HZ LYS 63 1HZ LYS 63 1.487 -17.262 7.320 430 2HZ LYS 63 2HZ LYS 63 1.417 -15.801 6.464 431 3HZ LYS 63 3HZ LYS 63 0.044 -16.375 7.265 432 H LEU 64 H LEU 64 -2.415 -14.475 10.095 433 HA LEU 64 HA LEU 64 -3.423 -17.206 9.739 434 1HB LEU 64 2HB LEU 64 -4.828 -14.820 8.607 435 2HB LEU 64 1HB LEU 64 -5.486 -16.382 9.042 436 HG LEU 64 HG LEU 64 -4.912 -15.602 11.494 437 1HD1 LEU 64 1HD1 LEU 64 -5.245 -13.190 11.781 438 2HD1 LEU 64 2HD1 LEU 64 -5.205 -12.984 10.030 439 3HD1 LEU 64 3HD1 LEU 64 -3.770 -13.553 10.885 440 1HD2 LEU 64 1HD2 LEU 64 -7.156 -14.622 11.673 441 2HD2 LEU 64 2HD2 LEU 64 -7.147 -16.115 10.731 442 3HD2 LEU 64 3HD2 LEU 64 -7.254 -14.555 9.913 443 H GLU 65 H GLU 65 -4.444 -16.966 7.153 444 HA GLU 65 HA GLU 65 -2.157 -16.101 5.553 445 1HB GLU 65 2HB GLU 65 -1.872 -18.520 6.217 446 2HB GLU 65 1HB GLU 65 -3.301 -18.874 5.256 447 1HG GLU 65 2HG GLU 65 -1.133 -19.283 4.107 448 2HG GLU 65 1HG GLU 65 -2.225 -18.190 3.253 449 H TRP 66 H TRP 66 -3.291 -14.554 4.511 450 HA TRP 66 HA TRP 66 -5.908 -14.936 3.467 451 1HB TRP 66 2HB TRP 66 -5.538 -12.729 2.378 452 2HB TRP 66 1HB TRP 66 -5.204 -12.720 4.103 453 HD1 TRP 66 HD TRP 66 -2.665 -12.366 4.860 454 HE1 TRP 66 1HE TRP 66 -0.621 -11.408 3.620 455 HE3 TRP 66 3HE TRP 66 -4.432 -12.598 0.069 456 HZ2 TRP 66 2HZ TRP 66 0.143 -10.834 0.965 457 HZ3 TRP 66 3HZ TRP 66 -2.986 -11.817 -1.763 458 HH2 TRP 66 HH TRP 66 -0.745 -10.952 -1.322 459 H ARG 67 H ARG 67 -2.783 -15.648 2.282 460 HA ARG 67 HA ARG 67 -3.221 -15.411 -0.490 461 1HB ARG 67 2HB ARG 67 -1.343 -17.210 1.053 462 2HB ARG 67 1HB ARG 67 -1.281 -16.971 -0.687 463 1HG ARG 67 2HG ARG 67 -0.651 -14.703 -0.453 464 2HG ARG 67 1HG ARG 67 -1.044 -14.700 1.268 465 1HD ARG 67 2HD ARG 67 0.777 -16.308 1.665 466 2HD ARG 67 1HD ARG 67 1.183 -16.257 -0.049 467 HE ARG 67 HE ARG 67 2.105 -14.139 0.241 468 1HH1 ARG 67 1HH1 ARG 67 0.608 -15.251 3.218 469 2HH1 ARG 67 2HH1 ARG 67 1.458 -14.097 4.211 470 1HH2 ARG 67 1HH2 ARG 67 3.180 -12.609 1.544 471 2HH2 ARG 67 2HH2 ARG 67 2.870 -12.551 3.257 472 H THR 68 H THR 68 -4.184 -17.818 1.815 473 HA THR 68 HA THR 68 -5.280 -19.424 -0.396 474 HB THR 68 HB THR 68 -3.461 -20.619 0.762 475 HG1 THR 68 1HG THR 68 -4.780 -22.146 0.066 476 1HG2 THR 68 1HG2 THR 68 -3.682 -19.635 2.981 477 2HG2 THR 68 2HG2 THR 68 -3.767 -21.396 3.068 478 3HG2 THR 68 3HG2 THR 68 -5.240 -20.434 3.191 479 H SER 69 H SER 69 -5.881 -17.902 2.691 480 HA SER 69 HA SER 69 -8.559 -19.092 2.782 481 1HB SER 69 2HB SER 69 -7.162 -19.322 4.813 482 2HB SER 69 1HB SER 69 -7.055 -17.567 4.924 483 HG SER 69 HG SER 69 -9.126 -19.278 5.582 484 H ILE 70 H ILE 70 -10.210 -17.917 2.059 485 HA ILE 70 HA ILE 70 -9.922 -15.108 1.509 486 HB ILE 70 HB ILE 70 -11.309 -16.656 0.100 487 1HG1 ILE 70 2HG1 ILE 70 -13.167 -15.044 -0.230 488 2HG1 ILE 70 1HG1 ILE 70 -12.715 -14.251 1.276 489 1HG2 ILE 70 1HG2 ILE 70 -13.227 -16.508 2.418 490 2HG2 ILE 70 2HG2 ILE 70 -12.362 -17.944 1.867 491 3HG2 ILE 70 3HG2 ILE 70 -13.580 -17.196 0.832 492 1HD1 ILE 70 1HD1 ILE 70 -11.862 -13.053 -0.657 493 2HD1 ILE 70 2HD1 ILE 70 -10.980 -14.493 -1.169 494 3HD1 ILE 70 3HD1 ILE 70 -10.547 -13.683 0.336 495 H VAL 71 H VAL 71 -10.881 -17.027 4.142 496 HA VAL 71 HA VAL 71 -12.646 -15.202 5.430 497 HB VAL 71 HB VAL 71 -11.001 -17.421 6.667 498 1HG1 VAL 71 1HG1 VAL 71 -11.874 -15.886 8.323 499 2HG1 VAL 71 2HG1 VAL 71 -12.728 -17.427 8.404 500 3HG1 VAL 71 3HG1 VAL 71 -13.494 -16.035 7.638 501 1HG2 VAL 71 1HG2 VAL 71 -13.800 -17.498 5.556 502 2HG2 VAL 71 2HG2 VAL 71 -12.990 -18.809 6.414 503 3HG2 VAL 71 3HG2 VAL 71 -12.377 -18.267 4.853 504 H ASP 72 H ASP 72 -9.178 -15.690 5.369 505 HA ASP 72 HA ASP 72 -8.574 -14.168 7.682 506 1HB ASP 72 2HB ASP 72 -6.913 -15.710 6.865 507 2HB ASP 72 1HB ASP 72 -6.839 -14.882 5.308 508 H LEU 73 H LEU 73 -8.011 -13.314 4.246 509 HA LEU 73 HA LEU 73 -7.259 -10.688 4.769 510 1HB LEU 73 2HB LEU 73 -7.751 -10.222 2.406 511 2HB LEU 73 1HB LEU 73 -6.786 -11.665 2.643 512 HG LEU 73 HG LEU 73 -9.160 -12.851 2.480 513 1HD1 LEU 73 1HD1 LEU 73 -9.529 -10.323 0.880 514 2HD1 LEU 73 2HD1 LEU 73 -10.445 -10.793 2.312 515 3HD1 LEU 73 3HD1 LEU 73 -10.584 -11.736 0.828 516 1HD2 LEU 73 1HD2 LEU 73 -8.737 -13.155 0.071 517 2HD2 LEU 73 2HD2 LEU 73 -7.272 -13.321 1.039 518 3HD2 LEU 73 3HD2 LEU 73 -7.565 -11.839 0.130 519 H MET 74 H MET 74 -10.420 -12.073 4.551 520 HA MET 74 HA MET 74 -11.968 -9.763 4.254 521 1HB MET 74 2HB MET 74 -12.972 -11.927 4.029 522 2HB MET 74 1HB MET 74 -12.486 -12.389 5.652 523 1HG MET 74 2HG MET 74 -14.032 -10.757 6.587 524 2HG MET 74 1HG MET 74 -14.510 -10.269 4.962 525 1HE MET 74 1HE MET 74 -15.279 -14.499 6.645 526 2HE MET 74 2HE MET 74 -14.491 -13.223 7.575 527 3HE MET 74 3HE MET 74 -13.689 -13.907 6.161 528 H LYS 75 H LYS 75 -10.968 -11.448 7.232 529 HA LYS 75 HA LYS 75 -12.180 -9.448 8.896 530 1HB LYS 75 2HB LYS 75 -11.158 -10.757 10.764 531 2HB LYS 75 1HB LYS 75 -12.192 -11.695 9.699 532 1HG LYS 75 2HG LYS 75 -10.257 -12.651 8.602 533 2HG LYS 75 1HG LYS 75 -9.185 -11.642 9.573 534 1HD LYS 75 2HD LYS 75 -9.263 -13.895 10.476 535 2HD LYS 75 1HD LYS 75 -9.998 -12.757 11.606 536 1HE LYS 75 2HE LYS 75 -12.221 -13.405 10.775 537 2HE LYS 75 1HE LYS 75 -11.464 -14.583 9.705 538 1HZ LYS 75 1HZ LYS 75 -12.346 -15.479 11.857 539 2HZ LYS 75 2HZ LYS 75 -11.108 -14.626 12.651 540 3HZ LYS 75 3HZ LYS 75 -10.718 -15.844 11.540 541 H ALA 76 H ALA 76 -8.992 -10.084 7.693 542 HA ALA 76 HA ALA 76 -7.333 -8.728 9.424 543 1HB ALA 76 1HB ALA 76 -6.549 -10.130 7.577 544 2HB ALA 76 2HB ALA 76 -5.778 -8.544 7.553 545 3HB ALA 76 3HB ALA 76 -7.080 -8.909 6.417 546 H LEU 77 H LEU 77 -8.855 -7.393 6.463 547 HA LEU 77 HA LEU 77 -7.919 -4.770 6.888 548 1HB LEU 77 2HB LEU 77 -10.197 -5.872 5.269 549 2HB LEU 77 1HB LEU 77 -9.964 -4.143 5.414 550 HG LEU 77 HG LEU 77 -8.974 -4.846 3.360 551 1HD1 LEU 77 1HD1 LEU 77 -6.645 -4.177 3.662 552 2HD1 LEU 77 2HD1 LEU 77 -6.814 -4.385 5.405 553 3HD1 LEU 77 3HD1 LEU 77 -7.744 -3.141 4.570 554 1HD2 LEU 77 1HD2 LEU 77 -7.379 -6.846 4.952 555 2HD2 LEU 77 2HD2 LEU 77 -7.211 -6.525 3.226 556 3HD2 LEU 77 3HD2 LEU 77 -8.708 -7.218 3.852 557 H ASP 78 H ASP 78 -11.310 -5.851 7.241 558 HA ASP 78 HA ASP 78 -11.699 -5.062 9.869 559 1HB ASP 78 2HB ASP 78 -11.190 -2.756 9.071 560 2HB ASP 78 1HB ASP 78 -12.544 -2.871 7.951 561 H ILE 79 H ILE 79 -12.845 -7.065 9.461 562 HA ILE 79 HA ILE 79 -15.594 -6.493 8.632 563 HB ILE 79 HB ILE 79 -13.947 -8.789 7.561 564 1HG1 ILE 79 2HG1 ILE 79 -13.796 -6.628 6.343 565 2HG1 ILE 79 1HG1 ILE 79 -14.521 -7.910 5.377 566 1HG2 ILE 79 1HG2 ILE 79 -16.925 -8.380 7.433 567 2HG2 ILE 79 2HG2 ILE 79 -16.056 -9.716 8.184 568 3HG2 ILE 79 3HG2 ILE 79 -16.031 -9.525 6.434 569 1HD1 ILE 79 1HD1 ILE 79 -16.733 -6.990 5.816 570 2HD1 ILE 79 2HD1 ILE 79 -15.675 -5.791 5.074 571 3HD1 ILE 79 3HD1 ILE 79 -16.016 -5.718 6.805 572 H ASP 80 H ASP 80 -17.147 -7.585 9.689 573 HA ASP 80 HA ASP 80 -16.910 -8.502 12.250 574 1HB ASP 80 2HB ASP 80 -19.070 -8.014 11.466 575 2HB ASP 80 1HB ASP 80 -18.911 -9.089 10.082 576 H SER 81 H SER 81 -17.051 -10.524 9.364 577 HA SER 81 HA SER 81 -16.156 -12.485 8.779 578 1HB SER 81 2HB SER 81 -14.085 -13.257 9.820 579 2HB SER 81 1HB SER 81 -14.028 -11.530 9.493 580 HG SER 81 HG SER 81 -14.957 -11.749 11.927 581 H SER 82 H SER 82 -18.299 -12.320 11.001 582 HA SER 82 HA SER 82 -17.999 -15.055 12.002 583 1HB SER 82 2HB SER 82 -18.829 -13.173 13.499 584 2HB SER 82 1HB SER 82 -20.292 -13.143 12.516 585 HG SER 82 HG SER 82 -20.344 -14.484 14.481 586 H LEU 83 H LEU 83 -20.969 -15.422 11.995 587 HA LEU 83 HA LEU 83 -21.136 -16.804 9.525 588 1HB LEU 83 2HB LEU 83 -22.380 -17.300 11.701 589 2HB LEU 83 1HB LEU 83 -23.483 -16.018 11.251 590 HG LEU 83 HG LEU 83 -24.246 -18.380 10.750 591 1HD1 LEU 83 1HD1 LEU 83 -24.083 -16.463 8.433 592 2HD1 LEU 83 2HD1 LEU 83 -25.325 -16.491 9.684 593 3HD1 LEU 83 3HD1 LEU 83 -25.182 -17.837 8.552 594 1HD2 LEU 83 1HD2 LEU 83 -22.119 -19.260 9.968 595 2HD2 LEU 83 2HD2 LEU 83 -22.167 -18.165 8.586 596 3HD2 LEU 83 3HD2 LEU 83 -23.373 -19.442 8.740 597 H SER 84 H SER 84 -22.556 -13.756 10.658 598 HA SER 84 HA SER 84 -24.186 -13.225 8.463 599 1HB SER 84 2HB SER 84 -22.739 -11.227 10.220 600 2HB SER 84 1HB SER 84 -24.151 -10.894 9.215 601 HG SER 84 HG SER 84 -25.409 -12.060 10.547 602 H ALA 85 H ALA 85 -20.807 -12.259 9.011 603 HA ALA 85 HA ALA 85 -20.532 -10.730 6.664 604 1HB ALA 85 1HB ALA 85 -18.434 -12.173 8.277 605 2HB ALA 85 2HB ALA 85 -18.984 -10.512 8.506 606 3HB ALA 85 3HB ALA 85 -18.109 -10.959 7.042 607 H ARG 86 H ARG 86 -19.544 -14.090 7.335 608 HA ARG 86 HA ARG 86 -18.529 -14.679 4.795 609 1HB ARG 86 2HB ARG 86 -19.782 -16.447 6.892 610 2HB ARG 86 1HB ARG 86 -19.044 -17.077 5.427 611 1HG ARG 86 2HG ARG 86 -16.901 -16.234 6.066 612 2HG ARG 86 1HG ARG 86 -17.596 -15.371 7.437 613 1HD ARG 86 2HD ARG 86 -17.713 -18.364 7.113 614 2HD ARG 86 1HD ARG 86 -16.440 -17.530 8.003 615 HE ARG 86 HE ARG 86 -18.721 -16.588 9.128 616 1HH1 ARG 86 1HH1 ARG 86 -17.532 -19.824 8.505 617 2HH1 ARG 86 2HH1 ARG 86 -18.247 -20.497 9.932 618 1HH2 ARG 86 1HH2 ARG 86 -19.686 -17.498 11.005 619 2HH2 ARG 86 2HH2 ARG 86 -19.466 -19.188 11.349 620 H LYS 87 H LYS 87 -21.775 -14.590 6.021 621 HA LYS 87 HA LYS 87 -22.958 -16.086 3.905 622 1HB LYS 87 2HB LYS 87 -23.902 -15.791 6.227 623 2HB LYS 87 1HB LYS 87 -24.325 -14.146 5.771 624 1HG LYS 87 2HG LYS 87 -26.243 -15.610 5.570 625 2HG LYS 87 1HG LYS 87 -25.753 -15.011 3.984 626 1HD LYS 87 2HD LYS 87 -26.277 -17.363 3.836 627 2HD LYS 87 1HD LYS 87 -24.547 -17.127 3.594 628 1HE LYS 87 2HE LYS 87 -24.123 -17.789 5.898 629 2HE LYS 87 1HE LYS 87 -25.854 -17.984 6.171 630 1HZ LYS 87 1HZ LYS 87 -25.846 -19.703 4.420 631 2HZ LYS 87 2HZ LYS 87 -24.879 -20.115 5.750 632 3HZ LYS 87 3HZ LYS 87 -24.160 -19.576 4.316 633 H GLU 88 H GLU 88 -22.627 -12.598 4.607 634 HA GLU 88 HA GLU 88 -24.229 -11.821 2.398 635 1HB GLU 88 2HB GLU 88 -23.450 -9.552 2.781 636 2HB GLU 88 1HB GLU 88 -23.883 -10.310 4.302 637 1HG GLU 88 2HG GLU 88 -21.698 -10.392 5.029 638 2HG GLU 88 1HG GLU 88 -21.043 -10.300 3.393 639 H LEU 89 H LEU 89 -20.724 -12.127 2.844 640 HA LEU 89 HA LEU 89 -19.940 -11.056 0.389 641 1HB LEU 89 2HB LEU 89 -18.375 -11.509 2.198 642 2HB LEU 89 1HB LEU 89 -18.654 -13.232 2.040 643 HG LEU 89 HG LEU 89 -17.584 -13.250 -0.137 644 1HD1 LEU 89 1HD1 LEU 89 -16.565 -11.288 -1.100 645 2HD1 LEU 89 2HD1 LEU 89 -17.106 -10.302 0.253 646 3HD1 LEU 89 3HD1 LEU 89 -18.286 -10.996 -0.856 647 1HD2 LEU 89 1HD2 LEU 89 -16.181 -13.520 1.846 648 2HD2 LEU 89 2HD2 LEU 89 -15.932 -11.774 1.911 649 3HD2 LEU 89 3HD2 LEU 89 -15.307 -12.704 0.548 650 H ALA 90 H ALA 90 -20.895 -14.334 1.262 651 HA ALA 90 HA ALA 90 -20.303 -15.481 -1.254 652 1HB ALA 90 1HB ALA 90 -20.484 -16.821 0.760 653 2HB ALA 90 2HB ALA 90 -21.608 -17.389 -0.477 654 3HB ALA 90 3HB ALA 90 -22.200 -16.430 0.880 655 H LYS 91 H LYS 91 -23.346 -14.262 0.160 656 HA LYS 91 HA LYS 91 -24.884 -15.191 -2.060 657 1HB LYS 91 2HB LYS 91 -26.787 -14.215 -0.978 658 2HB LYS 91 1HB LYS 91 -25.795 -15.017 0.229 659 1HG LYS 91 2HG LYS 91 -24.831 -12.786 0.805 660 2HG LYS 91 1HG LYS 91 -26.028 -12.062 -0.273 661 1HD LYS 91 2HD LYS 91 -27.805 -13.208 1.066 662 2HD LYS 91 1HD LYS 91 -26.552 -13.698 2.206 663 1HE LYS 91 2HE LYS 91 -27.607 -11.734 3.059 664 2HE LYS 91 1HE LYS 91 -25.992 -11.289 2.510 665 1HZ LYS 91 1HZ LYS 91 -26.887 -10.302 0.563 666 2HZ LYS 91 2HZ LYS 91 -27.810 -9.725 1.869 667 3HZ LYS 91 3HZ LYS 91 -28.431 -10.939 0.863 668 H GLU 92 H GLU 92 -23.255 -12.200 -1.366 669 HA GLU 92 HA GLU 92 -24.686 -10.698 -3.357 670 1HB GLU 92 2HB GLU 92 -22.023 -10.112 -2.046 671 2HB GLU 92 1HB GLU 92 -22.934 -8.989 -3.043 672 1HG GLU 92 2HG GLU 92 -23.701 -10.080 -0.349 673 2HG GLU 92 1HG GLU 92 -23.268 -8.422 -0.754 674 H LEU 93 H LEU 93 -21.953 -12.825 -3.304 675 HA LEU 93 HA LEU 93 -21.058 -12.004 -5.935 676 1HB LEU 93 2HB LEU 93 -20.125 -14.128 -4.023 677 2HB LEU 93 1HB LEU 93 -19.475 -13.972 -5.645 678 HG LEU 93 HG LEU 93 -19.363 -11.842 -3.506 679 1HD1 LEU 93 1HD1 LEU 93 -16.970 -12.307 -3.478 680 2HD1 LEU 93 2HD1 LEU 93 -17.205 -13.617 -4.635 681 3HD1 LEU 93 3HD1 LEU 93 -17.903 -13.730 -3.020 682 1HD2 LEU 93 1HD2 LEU 93 -19.514 -10.928 -5.776 683 2HD2 LEU 93 2HD2 LEU 93 -18.136 -11.918 -6.260 684 3HD2 LEU 93 3HD2 LEU 93 -17.929 -10.644 -5.058 685 H GLY 94 H GLY 94 -23.035 -14.505 -4.503 686 1HA GLY 94 2HA GLY 94 -24.597 -15.087 -6.596 687 2HA GLY 94 1HA GLY 94 -23.151 -15.995 -7.006 688 H TYR 95 H TYR 95 -22.569 -16.584 -4.186 689 HA TYR 95 HA TYR 95 -22.865 -18.299 -2.725 690 1HB TYR 95 2HB TYR 95 -25.045 -16.886 -2.425 691 2HB TYR 95 1HB TYR 95 -25.826 -18.232 -3.238 692 HD1 TYR 95 1HD TYR 95 -26.392 -20.200 -2.030 693 HD2 TYR 95 2HD TYR 95 -23.793 -17.327 -0.271 694 HE1 TYR 95 1HE TYR 95 -26.562 -21.372 0.127 695 HE2 TYR 95 2HE TYR 95 -23.954 -18.495 1.885 696 HH TYR 95 HH TYR 95 -25.220 -21.608 2.215 697 H SER 96 H SER 96 -22.604 -18.778 -5.625 698 HA SER 96 HA SER 96 -24.198 -20.914 -6.473 699 1HB SER 96 2HB SER 96 -21.353 -20.287 -7.294 700 2HB SER 96 1HB SER 96 -22.523 -21.238 -8.209 701 HG SER 96 HG SER 96 -23.745 -19.400 -8.538 702 H GLY 97 H GLY 97 -24.294 -22.925 -5.782 703 1HA GLY 97 2HA GLY 97 -22.603 -24.890 -5.507 704 2HA GLY 97 1HA GLY 97 -22.123 -23.951 -4.099 705 H ASP 98 H ASP 98 -22.791 -26.205 -3.262 706 HA ASP 98 HA ASP 98 -25.192 -25.942 -1.798 707 1HB ASP 98 2HB ASP 98 -26.276 -26.523 -3.910 708 2HB ASP 98 1HB ASP 98 -25.258 -27.952 -4.065 709 H MET 99 H MET 99 -23.596 -28.747 -3.269 710 HA MET 99 HA MET 99 -23.477 -30.053 -0.695 711 1HB MET 99 2HB MET 99 -22.433 -31.914 -2.176 712 2HB MET 99 1HB MET 99 -24.142 -31.544 -2.328 713 1HG MET 99 2HG MET 99 -23.105 -31.877 -4.499 714 2HG MET 99 1HG MET 99 -23.704 -30.230 -4.326 715 1HE MET 99 1HE MET 99 -21.712 -31.085 -6.636 716 2HE MET 99 2HE MET 99 -20.571 -29.741 -6.604 717 3HE MET 99 3HE MET 99 -22.298 -29.436 -6.412 718 H ASN 100 H ASN 100 -21.543 -27.846 -2.022 719 HA ASN 100 HA ASN 100 -18.989 -29.139 -1.675 720 1HB ASN 100 2HB ASN 100 -18.099 -26.818 -2.146 721 2HB ASN 100 1HB ASN 100 -19.089 -27.529 -3.419 722 1HD2 ASN 100 1HD2 ASN 100 -18.917 -25.082 -0.946 723 2HD2 ASN 100 2HD2 ASN 100 -20.288 -24.178 -1.485 724 H ASP 101 H ASP 101 -21.189 -27.583 0.362 725 HA ASP 101 HA ASP 101 -21.131 -26.800 2.497 726 1HB ASP 101 2HB ASP 101 -20.218 -29.171 2.738 727 2HB ASP 101 1HB ASP 101 -18.616 -28.449 2.827 728 H SER 102 H SER 102 -18.860 -26.278 4.198 729 HA SER 102 HA SER 102 -18.136 -23.705 3.142 730 1HB SER 102 2HB SER 102 -17.369 -25.114 5.707 731 2HB SER 102 1HB SER 102 -16.970 -23.441 5.326 732 HG SER 102 HG SER 102 -19.594 -24.540 5.530 733 H ALA 103 H ALA 103 -16.753 -26.835 3.210 734 HA ALA 103 HA ALA 103 -14.016 -26.333 3.227 735 1HB ALA 103 1HB ALA 103 -13.771 -28.491 2.101 736 2HB ALA 103 2HB ALA 103 -15.491 -28.487 1.709 737 3HB ALA 103 3HB ALA 103 -14.971 -28.576 3.391 738 H SER 104 H SER 104 -16.023 -26.891 0.319 739 HA SER 104 HA SER 104 -13.957 -25.753 -1.342 740 1HB SER 104 2HB SER 104 -16.752 -26.641 -2.084 741 2HB SER 104 1HB SER 104 -15.428 -26.310 -3.204 742 HG SER 104 HG SER 104 -15.588 -28.536 -2.804 743 H MET 105 H MET 105 -16.431 -24.498 0.519 744 HA MET 105 HA MET 105 -17.257 -22.352 -1.190 745 1HB MET 105 2HB MET 105 -18.687 -23.186 0.638 746 2HB MET 105 1HB MET 105 -17.506 -22.623 1.812 747 1HG MET 105 2HG MET 105 -17.890 -20.326 1.132 748 2HG MET 105 1HG MET 105 -19.019 -20.865 -0.109 749 1HE MET 105 1HE MET 105 -20.567 -23.205 1.413 750 2HE MET 105 2HE MET 105 -21.353 -21.988 0.406 751 3HE MET 105 3HE MET 105 -21.954 -22.314 2.034 752 H ASN 106 H ASN 106 -14.754 -22.819 1.232 753 HA ASN 106 HA ASN 106 -13.914 -20.116 1.402 754 1HB ASN 106 2HB ASN 106 -13.199 -21.783 3.043 755 2HB ASN 106 1HB ASN 106 -12.356 -22.688 1.793 756 1HD2 ASN 106 1HD2 ASN 106 -10.381 -22.553 2.814 757 2HD2 ASN 106 2HD2 ASN 106 -9.483 -21.082 2.919 758 H ILE 107 H ILE 107 -13.250 -22.730 -0.809 759 HA ILE 107 HA ILE 107 -11.060 -21.474 -2.147 760 HB ILE 107 HB ILE 107 -12.790 -23.748 -3.117 761 1HG1 ILE 107 2HG1 ILE 107 -10.188 -23.869 -1.574 762 2HG1 ILE 107 1HG1 ILE 107 -11.775 -24.142 -0.864 763 1HG2 ILE 107 1HG2 ILE 107 -10.003 -22.880 -3.882 764 2HG2 ILE 107 2HG2 ILE 107 -11.451 -22.754 -4.882 765 3HG2 ILE 107 3HG2 ILE 107 -10.809 -24.340 -4.456 766 1HD1 ILE 107 1HD1 ILE 107 -10.670 -26.239 -1.322 767 2HD1 ILE 107 2HD1 ILE 107 -10.480 -25.796 -3.017 768 3HD1 ILE 107 3HD1 ILE 107 -12.091 -26.063 -2.352 769 H TRP 108 H TRP 108 -14.445 -22.118 -3.103 770 HA TRP 108 HA TRP 108 -14.321 -20.812 -5.582 771 1HB TRP 108 2HB TRP 108 -16.131 -22.325 -5.134 772 2HB TRP 108 1HB TRP 108 -16.656 -21.377 -3.748 773 HD1 TRP 108 HD TRP 108 -16.642 -21.258 -7.602 774 HE1 TRP 108 1HE TRP 108 -18.485 -19.625 -8.367 775 HE3 TRP 108 3HE TRP 108 -18.062 -19.448 -3.035 776 HZ2 TRP 108 2HZ TRP 108 -20.299 -17.810 -7.181 777 HZ3 TRP 108 3HZ TRP 108 -19.856 -17.766 -2.937 778 HH2 TRP 108 HH TRP 108 -20.948 -16.965 -4.968 779 H LEU 109 H LEU 109 -15.356 -19.622 -2.420 780 HA LEU 109 HA LEU 109 -16.205 -17.081 -3.274 781 1HB LEU 109 2HB LEU 109 -16.730 -18.222 -1.087 782 2HB LEU 109 1HB LEU 109 -15.115 -17.803 -0.556 783 HG LEU 109 HG LEU 109 -15.671 -15.409 -0.822 784 1HD1 LEU 109 1HD1 LEU 109 -18.025 -14.774 -1.112 785 2HD1 LEU 109 2HD1 LEU 109 -18.435 -16.462 -1.414 786 3HD1 LEU 109 3HD1 LEU 109 -17.381 -15.597 -2.533 787 1HD2 LEU 109 1HD2 LEU 109 -15.898 -16.488 1.347 788 2HD2 LEU 109 2HD2 LEU 109 -17.539 -16.990 0.943 789 3HD2 LEU 109 3HD2 LEU 109 -17.160 -15.277 1.122 790 H HIS 110 H HIS 110 -13.100 -18.357 -2.272 791 HA HIS 110 HA HIS 110 -11.679 -15.999 -1.869 792 1HB HIS 110 2HB HIS 110 -10.853 -18.289 -1.336 793 2HB HIS 110 1HB HIS 110 -10.631 -18.582 -3.056 794 HD1 HIS 110 1HD HIS 110 -8.493 -17.787 -4.109 795 HD2 HIS 110 2HD HIS 110 -9.044 -16.336 -0.241 796 HE1 HIS 110 1HE HIS 110 -6.317 -16.683 -3.470 797 HE2 HIS 110 2HE HIS 110 -6.625 -15.958 -1.072 798 H LYS 111 H LYS 111 -12.035 -17.904 -4.862 799 HA LYS 111 HA LYS 111 -10.440 -16.113 -6.392 800 1HB LYS 111 2HB LYS 111 -11.214 -17.413 -8.343 801 2HB LYS 111 1HB LYS 111 -10.588 -18.425 -7.053 802 1HG LYS 111 2HG LYS 111 -12.991 -18.764 -6.342 803 2HG LYS 111 1HG LYS 111 -13.443 -18.012 -7.872 804 1HD LYS 111 2HD LYS 111 -11.742 -20.488 -7.559 805 2HD LYS 111 1HD LYS 111 -13.445 -20.465 -8.010 806 1HE LYS 111 2HE LYS 111 -12.507 -20.614 -10.082 807 2HE LYS 111 1HE LYS 111 -12.548 -18.861 -9.915 808 1HZ LYS 111 1HZ LYS 111 -10.205 -20.619 -9.408 809 2HZ LYS 111 2HZ LYS 111 -10.225 -18.943 -9.172 810 3HZ LYS 111 3HZ LYS 111 -10.413 -19.582 -10.730 811 H GLN 112 H GLN 112 -13.889 -16.342 -5.764 812 HA GLN 112 HA GLN 112 -14.724 -14.614 -7.848 813 1HB GLN 112 2HB GLN 112 -16.040 -15.147 -5.185 814 2HB GLN 112 1HB GLN 112 -16.802 -14.332 -6.541 815 1HG GLN 112 2HG GLN 112 -15.907 -17.199 -6.397 816 2HG GLN 112 1HG GLN 112 -17.560 -16.594 -6.451 817 1HE2 GLN 112 1HE2 GLN 112 -14.682 -17.232 -8.250 818 2HE2 GLN 112 2HE2 GLN 112 -15.364 -17.043 -9.826 819 H VAL 113 H VAL 113 -13.999 -14.008 -4.419 820 HA VAL 113 HA VAL 113 -14.357 -11.239 -4.440 821 HB VAL 113 HB VAL 113 -12.420 -12.850 -2.768 822 1HG1 VAL 113 1HG1 VAL 113 -13.520 -10.074 -2.339 823 2HG1 VAL 113 2HG1 VAL 113 -11.852 -10.482 -2.741 824 3HG1 VAL 113 3HG1 VAL 113 -12.530 -10.973 -1.188 825 1HG2 VAL 113 1HG2 VAL 113 -14.179 -12.779 -1.063 826 2HG2 VAL 113 2HG2 VAL 113 -14.717 -13.614 -2.520 827 3HG2 VAL 113 3HG2 VAL 113 -15.246 -11.961 -2.206 828 H MET 114 H MET 114 -11.607 -13.219 -5.429 829 HA MET 114 HA MET 114 -9.667 -11.201 -5.620 830 1HB MET 114 2HB MET 114 -10.040 -13.750 -7.197 831 2HB MET 114 1HB MET 114 -8.654 -12.691 -7.416 832 1HG MET 114 2HG MET 114 -8.017 -13.028 -5.089 833 2HG MET 114 1HG MET 114 -9.422 -14.067 -4.850 834 1HE MET 114 1HE MET 114 -7.132 -13.871 -8.039 835 2HE MET 114 2HE MET 114 -5.937 -15.122 -7.696 836 3HE MET 114 3HE MET 114 -5.976 -13.650 -6.725 837 H SER 115 H SER 115 -12.193 -12.210 -7.828 838 HA SER 115 HA SER 115 -11.306 -10.684 -10.052 839 1HB SER 115 2HB SER 115 -12.772 -12.670 -10.253 840 2HB SER 115 1HB SER 115 -14.064 -11.782 -9.445 841 HG SER 115 HG SER 115 -13.502 -10.192 -11.311 842 H LYS 116 H LYS 116 -12.934 -9.847 -7.166 843 HA LYS 116 HA LYS 116 -14.023 -7.389 -8.358 844 1HB LYS 116 2HB LYS 116 -14.442 -8.438 -5.554 845 2HB LYS 116 1HB LYS 116 -15.336 -7.152 -6.349 846 1HG LYS 116 2HG LYS 116 -15.368 -10.056 -7.132 847 2HG LYS 116 1HG LYS 116 -16.621 -9.222 -6.214 848 1HD LYS 116 2HD LYS 116 -16.967 -7.711 -8.145 849 2HD LYS 116 1HD LYS 116 -15.781 -8.652 -9.056 850 1HE LYS 116 2HE LYS 116 -17.177 -10.654 -8.761 851 2HE LYS 116 1HE LYS 116 -18.367 -9.683 -7.898 852 1HZ LYS 116 1HZ LYS 116 -19.063 -9.938 -10.145 853 2HZ LYS 116 2HZ LYS 116 -17.571 -9.402 -10.742 854 3HZ LYS 116 3HZ LYS 116 -18.595 -8.324 -9.931 855 H LEU 117 H LEU 117 -11.322 -8.513 -6.746 856 HA LEU 117 HA LEU 117 -10.975 -6.058 -5.173 857 1HB LEU 117 2HB LEU 117 -10.826 -8.602 -4.334 858 2HB LEU 117 1HB LEU 117 -9.161 -8.383 -4.827 859 HG LEU 117 HG LEU 117 -10.637 -6.756 -2.753 860 1HD1 LEU 117 1HD1 LEU 117 -8.382 -8.745 -2.517 861 2HD1 LEU 117 2HD1 LEU 117 -10.054 -9.005 -2.022 862 3HD1 LEU 117 3HD1 LEU 117 -9.069 -7.797 -1.196 863 1HD2 LEU 117 1HD2 LEU 117 -8.490 -5.690 -2.315 864 2HD2 LEU 117 2HD2 LEU 117 -9.036 -5.371 -3.960 865 3HD2 LEU 117 3HD2 LEU 117 -7.769 -6.562 -3.668 866 H VAL 118 H VAL 118 -8.625 -8.359 -6.530 867 HA VAL 118 HA VAL 118 -6.715 -6.262 -6.852 868 HB VAL 118 HB VAL 118 -5.231 -8.015 -7.760 869 1HG1 VAL 118 1HG1 VAL 118 -5.363 -7.671 -5.352 870 2HG1 VAL 118 2HG1 VAL 118 -5.113 -9.376 -5.723 871 3HG1 VAL 118 3HG1 VAL 118 -6.713 -8.804 -5.251 872 1HG2 VAL 118 1HG2 VAL 118 -6.003 -10.354 -7.792 873 2HG2 VAL 118 2HG2 VAL 118 -6.864 -9.354 -8.963 874 3HG2 VAL 118 3HG2 VAL 118 -7.643 -9.806 -7.447 875 H ALA 119 H ALA 119 -9.199 -7.353 -8.835 876 HA ALA 119 HA ALA 119 -7.981 -7.059 -11.388 877 1HB ALA 119 1HB ALA 119 -10.897 -6.860 -10.633 878 2HB ALA 119 2HB ALA 119 -10.041 -8.348 -11.038 879 3HB ALA 119 3HB ALA 119 -10.255 -7.094 -12.258 880 H ASN 120 H ASN 120 -8.817 -4.808 -9.030 881 HA ASN 120 HA ASN 120 -9.494 -2.669 -10.864 882 1HB ASN 120 2HB ASN 120 -9.168 -2.725 -7.864 883 2HB ASN 120 1HB ASN 120 -9.586 -1.279 -8.773 884 1HD2 ASN 120 1HD2 ASN 120 -10.677 -4.295 -7.522 885 2HD2 ASN 120 2HD2 ASN 120 -12.352 -4.100 -7.912 886 H GLY 121 H GLY 121 -6.691 -4.057 -10.405 887 1HA GLY 121 2HA GLY 121 -4.740 -2.956 -11.344 888 2HA GLY 121 1HA GLY 121 -5.234 -1.495 -10.502 889 H GLY 122 H GLY 122 -5.586 -4.381 -8.733 890 1HA GLY 122 2HA GLY 122 -3.500 -3.621 -6.896 891 2HA GLY 122 1HA GLY 122 -4.566 -5.014 -6.755 892 H LYS 123 H LYS 123 -1.530 -4.446 -6.680 893 HA LYS 123 HA LYS 123 -0.559 -6.314 -8.700 894 1HB LYS 123 2HB LYS 123 0.683 -4.201 -8.146 895 2HB LYS 123 1HB LYS 123 0.973 -4.849 -6.538 896 1HG LYS 123 2HG LYS 123 2.015 -6.855 -7.841 897 2HG LYS 123 1HG LYS 123 2.135 -5.683 -9.154 898 1HD LYS 123 2HD LYS 123 3.305 -5.409 -6.385 899 2HD LYS 123 1HD LYS 123 4.197 -5.725 -7.872 900 1HE LYS 123 2HE LYS 123 3.649 -3.553 -8.733 901 2HE LYS 123 1HE LYS 123 2.552 -3.245 -7.385 902 1HZ LYS 123 1HZ LYS 123 4.472 -3.371 -5.879 903 2HZ LYS 123 2HZ LYS 123 4.636 -2.118 -7.018 904 3HZ LYS 123 3HZ LYS 123 5.505 -3.561 -7.215 905 H LEU 124 H LEU 124 -0.338 -8.420 -8.277 906 HA LEU 124 HA LEU 124 0.364 -9.221 -5.569 907 1HB LEU 124 2HB LEU 124 -1.072 -11.241 -5.708 908 2HB LEU 124 1HB LEU 124 -1.955 -9.743 -5.559 909 HG LEU 124 HG LEU 124 -3.129 -11.277 -7.001 910 1HD1 LEU 124 1HD1 LEU 124 -1.959 -9.066 -8.669 911 2HD1 LEU 124 2HD1 LEU 124 -3.324 -8.923 -7.563 912 3HD1 LEU 124 3HD1 LEU 124 -3.452 -9.945 -8.993 913 1HD2 LEU 124 1HD2 LEU 124 -0.671 -11.331 -8.734 914 2HD2 LEU 124 2HD2 LEU 124 -2.234 -12.035 -9.148 915 3HD2 LEU 124 3HD2 LEU 124 -1.321 -12.663 -7.776 916 HA PRO 125 HA PRO 125 3.269 -11.842 -7.715 917 1HB PRO 125 2HB PRO 125 3.701 -13.683 -5.756 918 2HB PRO 125 1HB PRO 125 4.430 -12.075 -5.739 919 1HG PRO 125 2HG PRO 125 2.054 -13.097 -4.250 920 2HG PRO 125 1HG PRO 125 3.334 -11.999 -3.704 921 1HD PRO 125 2HD PRO 125 0.856 -11.157 -4.481 922 2HD PRO 125 1HD PRO 125 2.317 -10.162 -4.629 923 HA PRO 126 HA PRO 126 0.692 -14.928 -9.492 924 1HB PRO 126 2HB PRO 126 3.091 -16.591 -9.918 925 2HB PRO 126 1HB PRO 126 1.988 -15.882 -11.101 926 1HG PRO 126 2HG PRO 126 4.457 -14.920 -10.759 927 2HG PRO 126 1HG PRO 126 3.085 -13.850 -11.102 928 1HD PRO 126 2HD PRO 126 4.443 -14.409 -8.490 929 2HD PRO 126 1HD PRO 126 3.871 -12.863 -9.155 930 H GLU 127 H GLU 127 2.037 -15.358 -6.578 931 HA GLU 127 HA GLU 127 1.650 -18.191 -6.225 932 1HB GLU 127 2HB GLU 127 2.130 -15.919 -4.297 933 2HB GLU 127 1HB GLU 127 1.897 -17.581 -3.776 934 1HG GLU 127 2HG GLU 127 4.056 -16.716 -5.680 935 2HG GLU 127 1HG GLU 127 4.273 -16.839 -3.935 936 H ILE 128 H ILE 128 -0.245 -15.291 -6.006 937 HA ILE 128 HA ILE 128 -2.379 -16.735 -4.629 938 HB ILE 128 HB ILE 128 -2.288 -13.809 -5.411 939 1HG1 ILE 128 2HG1 ILE 128 -2.306 -13.576 -2.839 940 2HG1 ILE 128 1HG1 ILE 128 -1.792 -15.256 -2.812 941 1HG2 ILE 128 1HG2 ILE 128 -4.315 -13.583 -4.088 942 2HG2 ILE 128 2HG2 ILE 128 -4.292 -15.313 -3.736 943 3HG2 ILE 128 3HG2 ILE 128 -4.553 -14.754 -5.386 944 1HD1 ILE 128 1HD1 ILE 128 -0.317 -12.965 -4.086 945 2HD1 ILE 128 2HD1 ILE 128 0.196 -14.651 -4.123 946 3HD1 ILE 128 3HD1 ILE 128 0.112 -13.788 -2.586 947 H LYS 129 H LYS 129 -2.616 -18.140 -6.425 948 HA LYS 129 HA LYS 129 -4.591 -17.051 -8.293 949 1HB LYS 129 2HB LYS 129 -2.358 -18.969 -8.960 950 2HB LYS 129 1HB LYS 129 -3.783 -18.776 -9.965 951 1HG LYS 129 2HG LYS 129 -3.154 -16.284 -10.016 952 2HG LYS 129 1HG LYS 129 -1.580 -16.828 -9.430 953 1HD LYS 129 2HD LYS 129 -1.500 -16.695 -11.825 954 2HD LYS 129 1HD LYS 129 -1.473 -18.395 -11.353 955 1HE LYS 129 2HE LYS 129 -3.002 -18.316 -13.126 956 2HE LYS 129 1HE LYS 129 -4.013 -18.338 -11.678 957 1HZ LYS 129 1HZ LYS 129 -3.998 -15.817 -11.897 958 2HZ LYS 129 2HZ LYS 129 -4.926 -16.689 -13.012 959 3HZ LYS 129 3HZ LYS 129 -3.419 -16.061 -13.472 960 H HIS 130 H HIS 130 -6.157 -17.787 -6.868 961 HA HIS 130 HA HIS 130 -6.669 -20.648 -6.941 962 1HB HIS 130 2HB HIS 130 -6.494 -19.102 -4.335 963 2HB HIS 130 1HB HIS 130 -7.119 -20.738 -4.491 964 HD1 HIS 130 1HD HIS 130 -5.374 -22.631 -4.884 965 HD2 HIS 130 2HD HIS 130 -3.725 -18.857 -4.352 966 HE1 HIS 130 1HE HIS 130 -2.920 -23.016 -4.513 967 HE2 HIS 130 2HE HIS 130 -1.923 -20.705 -4.451 Start of MODEL 10 1 1H MET 1 1HT MET 1 -23.429 -6.957 1.836 2 2H MET 1 2HT MET 1 -24.197 -6.690 0.344 3 3H MET 1 3HT MET 1 -24.985 -6.284 1.791 4 HA MET 1 HA MET 1 -24.155 -4.306 0.724 5 1HB MET 1 2HB MET 1 -24.147 -4.577 3.246 6 2HB MET 1 1HB MET 1 -22.434 -4.956 3.121 7 1HG MET 1 2HG MET 1 -22.738 -2.647 3.734 8 2HG MET 1 1HG MET 1 -22.027 -2.760 2.125 9 1HE MET 1 1HE MET 1 -23.349 -0.097 3.312 10 2HE MET 1 2HE MET 1 -24.249 0.471 1.907 11 3HE MET 1 3HE MET 1 -22.629 -0.195 1.704 12 H SER 2 H SER 2 -22.031 -6.964 0.827 13 HA SER 2 HA SER 2 -20.601 -7.556 -0.836 14 1HB SER 2 2HB SER 2 -20.554 -4.628 -1.605 15 2HB SER 2 1HB SER 2 -19.702 -5.914 -2.463 16 HG SER 2 HG SER 2 -22.379 -6.421 -2.046 17 H ILE 3 H ILE 3 -19.371 -8.203 0.851 18 HA ILE 3 HA ILE 3 -17.818 -6.562 2.484 19 HB ILE 3 HB ILE 3 -17.304 -9.455 1.816 20 1HG1 ILE 3 2HG1 ILE 3 -19.190 -8.139 3.771 21 2HG1 ILE 3 1HG1 ILE 3 -19.562 -9.320 2.523 22 1HG2 ILE 3 1HG2 ILE 3 -16.262 -9.548 4.021 23 2HG2 ILE 3 2HG2 ILE 3 -16.538 -7.819 4.231 24 3HG2 ILE 3 3HG2 ILE 3 -15.444 -8.393 2.971 25 1HD1 ILE 3 1HD1 ILE 3 -19.661 -10.319 4.712 26 2HD1 ILE 3 2HD1 ILE 3 -17.997 -9.834 5.035 27 3HD1 ILE 3 3HD1 ILE 3 -18.341 -11.018 3.776 28 H PHE 4 H PHE 4 -17.119 -7.980 -0.656 29 HA PHE 4 HA PHE 4 -14.330 -7.569 -0.632 30 1HB PHE 4 2HB PHE 4 -14.505 -7.618 -3.137 31 2HB PHE 4 1HB PHE 4 -15.218 -8.999 -2.319 32 HD1 PHE 4 1HD PHE 4 -17.490 -9.537 -2.591 33 HD2 PHE 4 2HD PHE 4 -15.991 -5.836 -4.062 34 HE1 PHE 4 1HE PHE 4 -19.588 -9.182 -3.825 35 HE2 PHE 4 2HE PHE 4 -18.088 -5.474 -5.297 36 HZ PHE 4 HZ PHE 4 -19.887 -7.148 -5.179 37 H GLY 5 H GLY 5 -16.983 -5.388 -1.083 38 1HA GLY 5 2HA GLY 5 -15.208 -3.238 -1.977 39 2HA GLY 5 1HA GLY 5 -16.958 -3.141 -1.807 40 H LYS 6 H LYS 6 -16.415 -4.578 0.887 41 HA LYS 6 HA LYS 6 -16.246 -2.141 2.441 42 1HB LYS 6 2HB LYS 6 -16.736 -5.014 3.249 43 2HB LYS 6 1HB LYS 6 -16.810 -3.637 4.345 44 1HG LYS 6 2HG LYS 6 -18.692 -2.738 3.239 45 2HG LYS 6 1HG LYS 6 -18.510 -3.844 1.877 46 1HD LYS 6 2HD LYS 6 -20.343 -4.574 3.272 47 2HD LYS 6 1HD LYS 6 -19.019 -5.730 3.376 48 1HE LYS 6 2HE LYS 6 -20.088 -5.231 5.554 49 2HE LYS 6 1HE LYS 6 -18.358 -4.899 5.516 50 1HZ LYS 6 1HZ LYS 6 -19.502 -3.117 6.630 51 2HZ LYS 6 2HZ LYS 6 -20.548 -2.893 5.320 52 3HZ LYS 6 3HZ LYS 6 -18.903 -2.533 5.157 53 H ILE 7 H ILE 7 -14.283 -4.955 1.758 54 HA ILE 7 HA ILE 7 -12.379 -4.382 3.853 55 HB ILE 7 HB ILE 7 -11.026 -6.196 2.819 56 1HG1 ILE 7 2HG1 ILE 7 -13.369 -6.393 0.913 57 2HG1 ILE 7 1HG1 ILE 7 -11.741 -5.864 0.491 58 1HG2 ILE 7 1HG2 ILE 7 -12.630 -6.706 4.567 59 2HG2 ILE 7 2HG2 ILE 7 -12.573 -8.015 3.386 60 3HG2 ILE 7 3HG2 ILE 7 -13.912 -6.867 3.369 61 1HD1 ILE 7 1HD1 ILE 7 -12.116 -8.149 -0.210 62 2HD1 ILE 7 2HD1 ILE 7 -12.535 -8.613 1.442 63 3HD1 ILE 7 3HD1 ILE 7 -10.893 -8.092 1.061 64 H MET 8 H MET 8 -12.765 -3.591 0.485 65 HA MET 8 HA MET 8 -10.026 -3.167 -0.100 66 1HB MET 8 2HB MET 8 -10.751 -2.164 -2.163 67 2HB MET 8 1HB MET 8 -11.735 -3.581 -1.841 68 1HG MET 8 2HG MET 8 -13.261 -2.027 -2.613 69 2HG MET 8 1HG MET 8 -13.440 -1.937 -0.863 70 1HE MET 8 1HE MET 8 -14.107 1.754 -1.940 71 2HE MET 8 2HE MET 8 -14.721 0.346 -1.071 72 3HE MET 8 3HE MET 8 -14.573 0.301 -2.827 73 H SER 9 H SER 9 -12.309 -1.296 1.613 74 HA SER 9 HA SER 9 -11.411 1.303 1.108 75 1HB SER 9 2HB SER 9 -12.504 0.266 3.729 76 2HB SER 9 1HB SER 9 -12.552 1.927 3.135 77 HG SER 9 HG SER 9 -14.460 0.329 2.862 78 H ALA 10 H ALA 10 -10.036 -1.242 3.047 79 HA ALA 10 HA ALA 10 -8.216 0.619 4.371 80 1HB ALA 10 1HB ALA 10 -8.516 -2.359 4.692 81 2HB ALA 10 2HB ALA 10 -9.245 -1.126 5.719 82 3HB ALA 10 3HB ALA 10 -7.491 -1.309 5.672 83 H ILE 11 H ILE 11 -8.339 -1.330 1.611 84 HA ILE 11 HA ILE 11 -5.448 -1.713 1.475 85 HB ILE 11 HB ILE 11 -7.610 -2.622 -0.439 86 1HG1 ILE 11 2HG1 ILE 11 -6.074 -4.180 1.655 87 2HG1 ILE 11 1HG1 ILE 11 -7.762 -3.698 1.778 88 1HG2 ILE 11 1HG2 ILE 11 -5.447 -2.361 -1.536 89 2HG2 ILE 11 2HG2 ILE 11 -5.881 -4.064 -1.395 90 3HG2 ILE 11 3HG2 ILE 11 -4.687 -3.364 -0.301 91 1HD1 ILE 11 1HD1 ILE 11 -8.305 -5.099 -0.139 92 2HD1 ILE 11 2HD1 ILE 11 -7.539 -6.035 1.145 93 3HD1 ILE 11 3HD1 ILE 11 -6.611 -5.567 -0.281 94 H PHE 12 H PHE 12 -8.069 -0.338 -0.496 95 HA PHE 12 HA PHE 12 -6.104 1.123 -2.091 96 1HB PHE 12 2HB PHE 12 -9.084 0.727 -2.457 97 2HB PHE 12 1HB PHE 12 -8.058 1.657 -3.547 98 HD1 PHE 12 1HD PHE 12 -6.414 0.553 -4.952 99 HD2 PHE 12 2HD PHE 12 -9.023 -1.677 -2.435 100 HE1 PHE 12 1HE PHE 12 -5.858 -1.495 -6.193 101 HE2 PHE 12 2HE PHE 12 -8.467 -3.728 -3.668 102 HZ PHE 12 HZ PHE 12 -6.883 -3.639 -5.550 103 H GLY 13 H GLY 13 -7.630 1.592 0.710 104 1HA GLY 13 2HA GLY 13 -8.156 4.449 0.276 105 2HA GLY 13 1HA GLY 13 -8.637 3.519 1.690 106 H ASP 14 H ASP 14 -5.558 2.690 0.786 107 HA ASP 14 HA ASP 14 -4.380 4.530 2.763 108 1HB ASP 14 2HB ASP 14 -4.415 1.907 3.081 109 2HB ASP 14 1HB ASP 14 -3.072 1.955 1.943 110 H SER 15 H SER 15 -1.836 4.605 2.267 111 HA SER 15 HA SER 15 -1.407 4.804 -0.626 112 1HB SER 15 2HB SER 15 -0.798 7.031 1.329 113 2HB SER 15 1HB SER 15 -0.384 7.031 -0.384 114 HG SER 15 HG SER 15 -2.994 6.461 -0.060 115 H ALA 16 H ALA 16 -0.343 3.741 2.340 116 HA ALA 16 HA ALA 16 1.514 2.688 3.063 117 1HB ALA 16 1HB ALA 16 2.569 2.996 0.261 118 2HB ALA 16 2HB ALA 16 1.573 1.662 0.844 119 3HB ALA 16 3HB ALA 16 3.190 1.909 1.504 120 H ALA 17 H ALA 17 2.259 5.501 1.057 121 HA ALA 17 HA ALA 17 3.602 7.306 1.359 122 1HB ALA 17 1HB ALA 17 4.169 8.005 3.629 123 2HB ALA 17 2HB ALA 17 3.674 6.429 4.248 124 3HB ALA 17 3HB ALA 17 2.481 7.508 3.523 125 H ALA 18 H ALA 18 4.653 4.693 0.667 126 HA ALA 18 HA ALA 18 7.433 5.266 0.763 127 1HB ALA 18 1HB ALA 18 6.511 2.879 2.367 128 2HB ALA 18 2HB ALA 18 7.199 4.360 3.032 129 3HB ALA 18 3HB ALA 18 8.184 3.310 2.014 130 H SER 19 H SER 19 5.000 2.734 0.397 131 HA SER 19 HA SER 19 4.443 1.365 -1.319 132 1HB SER 19 2HB SER 19 6.503 2.884 -2.937 133 2HB SER 19 1HB SER 19 5.243 1.828 -3.575 134 HG SER 19 HG SER 19 4.995 4.339 -3.287 135 HA PRO 20 HA PRO 20 7.268 -2.062 -1.177 136 1HB PRO 20 2HB PRO 20 6.960 -3.118 -3.711 137 2HB PRO 20 1HB PRO 20 5.870 -3.427 -2.355 138 1HG PRO 20 2HG PRO 20 5.598 -1.461 -4.597 139 2HG PRO 20 1HG PRO 20 4.366 -2.512 -3.871 140 1HD PRO 20 2HD PRO 20 4.493 0.082 -3.251 141 2HD PRO 20 1HD PRO 20 4.112 -1.137 -2.009 142 H GLY 21 H GLY 21 9.252 -1.114 -1.050 143 1HA GLY 21 2HA GLY 21 11.288 -1.524 -2.645 144 2HA GLY 21 1HA GLY 21 10.548 -0.176 -3.497 145 H GLY 22 H GLY 22 10.377 1.862 -2.414 146 1HA GLY 22 2HA GLY 22 12.749 2.369 -0.821 147 2HA GLY 22 1HA GLY 22 11.669 3.575 -1.505 148 H ALA 23 H ALA 23 11.136 0.861 0.718 149 HA ALA 23 HA ALA 23 9.551 2.542 2.453 150 1HB ALA 23 1HB ALA 23 9.112 0.512 3.707 151 2HB ALA 23 2HB ALA 23 10.355 -0.347 2.797 152 3HB ALA 23 3HB ALA 23 8.893 0.208 1.983 153 H GLN 24 H GLN 24 10.129 3.318 4.410 154 HA GLN 24 HA GLN 24 12.913 3.612 4.944 155 1HB GLN 24 2HB GLN 24 11.126 5.343 5.378 156 2HB GLN 24 1HB GLN 24 10.611 4.368 6.747 157 1HG GLN 24 2HG GLN 24 12.868 4.609 7.723 158 2HG GLN 24 1HG GLN 24 13.301 5.668 6.380 159 1HE2 GLN 24 1HE2 GLN 24 13.659 7.465 7.622 160 2HE2 GLN 24 2HE2 GLN 24 12.383 8.314 8.438 161 H ALA 25 H ALA 25 13.981 1.867 5.646 162 HA ALA 25 HA ALA 25 12.796 0.261 7.804 163 1HB ALA 25 1HB ALA 25 13.380 -0.994 5.789 164 2HB ALA 25 2HB ALA 25 14.374 -1.490 7.157 165 3HB ALA 25 3HB ALA 25 15.049 -0.435 5.915 166 HA PRO 26 HA PRO 26 15.746 1.980 10.611 167 1HB PRO 26 2HB PRO 26 15.797 -0.016 12.468 168 2HB PRO 26 1HB PRO 26 14.481 1.154 12.331 169 1HG PRO 26 2HG PRO 26 14.635 -1.656 11.310 170 2HG PRO 26 1HG PRO 26 13.279 -0.815 12.085 171 1HD PRO 26 2HD PRO 26 13.433 -1.174 9.406 172 2HD PRO 26 1HD PRO 26 12.660 0.247 10.137 173 H ALA 27 H ALA 27 17.637 1.965 9.430 174 HA ALA 27 HA ALA 27 19.543 -0.068 10.236 175 1HB ALA 27 1HB ALA 27 19.061 0.538 7.318 176 2HB ALA 27 2HB ALA 27 18.657 -0.970 8.139 177 3HB ALA 27 3HB ALA 27 20.344 -0.483 7.969 178 H THR 28 H THR 28 21.317 0.964 10.873 179 HA THR 28 HA THR 28 22.082 3.438 9.509 180 HB THR 28 HB THR 28 20.922 4.187 11.506 181 HG1 THR 28 1HG THR 28 22.484 5.556 12.136 182 1HG2 THR 28 1HG2 THR 28 22.857 2.468 13.063 183 2HG2 THR 28 2HG2 THR 28 21.131 2.164 12.868 184 3HG2 THR 28 3HG2 THR 28 21.681 3.586 13.754 185 H THR 29 H THR 29 24.240 3.743 9.281 186 HA THR 29 HA THR 29 25.985 1.585 10.249 187 HB THR 29 HB THR 29 27.535 2.473 8.414 188 HG1 THR 29 1HG THR 29 26.698 3.874 6.955 189 1HG2 THR 29 1HG2 THR 29 24.871 1.297 7.604 190 2HG2 THR 29 2HG2 THR 29 26.268 0.390 8.185 191 3HG2 THR 29 3HG2 THR 29 26.353 1.251 6.648 192 H GLY 30 H GLY 30 25.063 4.294 11.458 193 1HA GLY 30 2HA GLY 30 26.172 5.490 13.163 194 2HA GLY 30 1HA GLY 30 27.714 5.023 12.457 195 H ALA 31 H ALA 31 28.419 6.103 10.530 196 HA ALA 31 HA ALA 31 27.293 8.798 10.239 197 1HB ALA 31 1HB ALA 31 29.383 9.353 9.094 198 2HB ALA 31 2HB ALA 31 29.920 7.681 9.257 199 3HB ALA 31 3HB ALA 31 29.692 8.677 10.695 200 H ALA 32 H ALA 32 25.657 8.734 8.809 201 HA ALA 32 HA ALA 32 26.211 7.631 6.150 202 1HB ALA 32 1HB ALA 32 24.976 5.907 7.388 203 2HB ALA 32 2HB ALA 32 24.036 6.549 6.041 204 3HB ALA 32 3HB ALA 32 23.678 7.063 7.690 205 H GLY 33 H GLY 33 25.505 8.885 4.524 206 1HA GLY 33 2HA GLY 33 24.256 11.419 5.247 207 2HA GLY 33 1HA GLY 33 24.957 11.004 3.687 208 H THR 34 H THR 34 22.414 9.556 5.697 209 HA THR 34 HA THR 34 20.785 9.062 3.377 210 HB THR 34 HB THR 34 20.046 8.673 6.284 211 HG1 THR 34 1HG THR 34 21.089 6.653 4.593 212 1HG2 THR 34 1HG2 THR 34 18.173 8.529 4.710 213 2HG2 THR 34 2HG2 THR 34 18.550 6.946 5.394 214 3HG2 THR 34 3HG2 THR 34 19.062 7.345 3.754 215 H ALA 35 H ALA 35 19.909 10.836 2.505 216 HA ALA 35 HA ALA 35 17.916 12.256 4.074 217 1HB ALA 35 1HB ALA 35 19.928 13.633 4.337 218 2HB ALA 35 2HB ALA 35 18.696 14.463 3.386 219 3HB ALA 35 3HB ALA 35 20.086 13.735 2.582 220 HA PRO 36 HA PRO 36 15.834 11.790 0.158 221 1HB PRO 36 2HB PRO 36 13.854 13.691 1.146 222 2HB PRO 36 1HB PRO 36 13.670 11.969 0.816 223 1HG PRO 36 2HG PRO 36 13.639 13.008 3.327 224 2HG PRO 36 1HG PRO 36 14.212 11.370 2.966 225 1HD PRO 36 2HD PRO 36 15.789 13.861 3.485 226 2HD PRO 36 1HD PRO 36 16.106 12.194 4.012 227 H THR 37 H THR 37 17.335 12.914 -1.139 228 HA THR 37 HA THR 37 16.966 15.826 -1.304 229 HB THR 37 HB THR 37 19.263 15.038 -0.810 230 HG1 THR 37 1HG THR 37 18.578 16.550 -3.052 231 1HG2 THR 37 1HG2 THR 37 19.257 12.939 -2.039 232 2HG2 THR 37 2HG2 THR 37 20.575 13.968 -2.600 233 3HG2 THR 37 3HG2 THR 37 19.107 13.811 -3.565 234 H ALA 38 H ALA 38 16.003 13.047 -2.802 235 HA ALA 38 HA ALA 38 15.742 14.413 -5.405 236 1HB ALA 38 1HB ALA 38 15.586 12.210 -6.445 237 2HB ALA 38 2HB ALA 38 15.781 11.445 -4.867 238 3HB ALA 38 3HB ALA 38 17.100 12.390 -5.558 239 HA PRO 39 HA PRO 39 11.451 14.128 -3.903 240 1HB PRO 39 2HB PRO 39 10.606 16.450 -4.973 241 2HB PRO 39 1HB PRO 39 11.531 16.394 -3.467 242 1HG PRO 39 2HG PRO 39 12.445 17.067 -6.231 243 2HG PRO 39 1HG PRO 39 12.901 17.806 -4.686 244 1HD PRO 39 2HD PRO 39 14.419 15.944 -6.036 245 2HD PRO 39 1HD PRO 39 14.522 16.252 -4.292 246 H GLN 40 H GLN 40 10.422 12.604 -5.055 247 HA GLN 40 HA GLN 40 10.263 12.826 -7.949 248 1HB GLN 40 2HB GLN 40 9.198 10.601 -7.838 249 2HB GLN 40 1HB GLN 40 10.761 10.637 -7.037 250 1HG GLN 40 2HG GLN 40 9.607 10.840 -4.867 251 2HG GLN 40 1HG GLN 40 8.063 10.691 -5.708 252 1HE2 GLN 40 1HE2 GLN 40 7.487 8.699 -6.608 253 2HE2 GLN 40 2HE2 GLN 40 8.298 7.226 -6.191 254 HA PRO 41 HA PRO 41 6.323 14.751 -8.082 255 1HB PRO 41 2HB PRO 41 5.249 13.526 -10.295 256 2HB PRO 41 1HB PRO 41 6.429 14.839 -10.361 257 1HG PRO 41 2HG PRO 41 6.851 11.891 -10.623 258 2HG PRO 41 1HG PRO 41 7.589 13.214 -11.546 259 1HD PRO 41 2HD PRO 41 8.907 11.956 -9.567 260 2HD PRO 41 1HD PRO 41 9.120 13.691 -9.876 261 H THR 42 H THR 42 4.371 14.458 -7.199 262 HA THR 42 HA THR 42 3.607 12.022 -6.007 263 HB THR 42 HB THR 42 1.881 14.436 -6.615 264 HG1 THR 42 1HG THR 42 2.822 14.096 -4.040 265 1HG2 THR 42 1HG2 THR 42 0.557 12.490 -6.006 266 2HG2 THR 42 2HG2 THR 42 0.550 13.666 -4.691 267 3HG2 THR 42 3HG2 THR 42 1.566 12.228 -4.583 268 H ALA 43 H ALA 43 2.699 10.290 -6.908 269 HA ALA 43 HA ALA 43 0.855 10.552 -9.132 270 1HB ALA 43 1HB ALA 43 3.413 8.973 -9.402 271 2HB ALA 43 2HB ALA 43 3.027 10.470 -10.249 272 3HB ALA 43 3HB ALA 43 2.094 9.007 -10.571 273 H ALA 44 H ALA 44 0.405 8.076 -9.877 274 HA ALA 44 HA ALA 44 0.211 6.379 -7.504 275 1HB ALA 44 1HB ALA 44 -1.897 7.651 -7.598 276 2HB ALA 44 2HB ALA 44 -2.153 5.931 -7.891 277 3HB ALA 44 3HB ALA 44 -2.164 7.066 -9.240 278 HA PRO 45 HA PRO 45 1.536 4.184 -11.240 279 1HB PRO 45 2HB PRO 45 3.488 2.743 -10.105 280 2HB PRO 45 1HB PRO 45 3.702 4.433 -10.545 281 1HG PRO 45 2HG PRO 45 3.240 3.210 -7.871 282 2HG PRO 45 1HG PRO 45 4.226 4.616 -8.309 283 1HD PRO 45 2HD PRO 45 1.667 4.704 -7.219 284 2HD PRO 45 1HD PRO 45 2.472 6.037 -8.065 285 H SER 46 H SER 46 1.592 2.304 -8.169 286 HA SER 46 HA SER 46 -0.503 0.584 -9.164 287 1HB SER 46 2HB SER 46 0.875 -1.489 -8.935 288 2HB SER 46 1HB SER 46 1.402 -0.445 -10.255 289 HG SER 46 HG SER 46 3.155 0.174 -9.096 290 H ILE 47 H ILE 47 -1.451 -0.702 -7.562 291 HA ILE 47 HA ILE 47 -0.635 -0.073 -4.810 292 HB ILE 47 HB ILE 47 -3.220 -1.267 -5.843 293 1HG1 ILE 47 2HG1 ILE 47 -3.017 1.092 -6.435 294 2HG1 ILE 47 1HG1 ILE 47 -4.229 0.883 -5.175 295 1HG2 ILE 47 1HG2 ILE 47 -4.061 -0.984 -3.566 296 2HG2 ILE 47 2HG2 ILE 47 -2.470 -0.430 -3.045 297 3HG2 ILE 47 3HG2 ILE 47 -2.684 -2.085 -3.615 298 1HD1 ILE 47 1HD1 ILE 47 -2.610 1.625 -3.501 299 2HD1 ILE 47 2HD1 ILE 47 -2.857 2.840 -4.757 300 3HD1 ILE 47 3HD1 ILE 47 -1.403 1.839 -4.768 301 H ASP 48 H ASP 48 0.654 -1.579 -3.917 302 HA ASP 48 HA ASP 48 0.516 -4.324 -4.905 303 1HB ASP 48 2HB ASP 48 2.707 -2.987 -4.485 304 2HB ASP 48 1HB ASP 48 2.425 -3.367 -2.789 305 H VAL 49 H VAL 49 -0.871 -5.646 -3.958 306 HA VAL 49 HA VAL 49 -2.077 -4.951 -1.437 307 HB VAL 49 HB VAL 49 -2.507 -7.415 -3.132 308 1HG1 VAL 49 1HG1 VAL 49 -4.241 -6.161 -1.013 309 2HG1 VAL 49 2HG1 VAL 49 -3.335 -7.665 -0.860 310 3HG1 VAL 49 3HG1 VAL 49 -4.671 -7.554 -2.006 311 1HG2 VAL 49 1HG2 VAL 49 -4.466 -6.215 -4.032 312 2HG2 VAL 49 2HG2 VAL 49 -2.941 -5.437 -4.452 313 3HG2 VAL 49 3HG2 VAL 49 -3.948 -4.767 -3.169 314 H ALA 50 H ALA 50 0.484 -6.997 -2.475 315 HA ALA 50 HA ALA 50 0.307 -9.050 -0.573 316 1HB ALA 50 1HB ALA 50 1.680 -9.208 -2.588 317 2HB ALA 50 2HB ALA 50 2.600 -9.584 -1.130 318 3HB ALA 50 3HB ALA 50 2.794 -8.017 -1.918 319 HA PRO 51 HA PRO 51 3.423 -6.692 2.235 320 1HB PRO 51 2HB PRO 51 3.748 -4.009 1.818 321 2HB PRO 51 1HB PRO 51 4.818 -5.245 1.150 322 1HG PRO 51 2HG PRO 51 2.591 -3.748 -0.161 323 2HG PRO 51 1HG PRO 51 4.160 -4.240 -0.821 324 1HD PRO 51 2HD PRO 51 1.852 -5.562 -1.363 325 2HD PRO 51 1HD PRO 51 3.436 -6.359 -1.319 326 H ILE 52 H ILE 52 0.513 -5.213 1.046 327 HA ILE 52 HA ILE 52 -0.081 -3.702 3.386 328 HB ILE 52 HB ILE 52 -1.895 -4.704 1.189 329 1HG1 ILE 52 2HG1 ILE 52 -0.731 -1.973 1.770 330 2HG1 ILE 52 1HG1 ILE 52 -0.234 -3.048 0.468 331 1HG2 ILE 52 1HG2 ILE 52 -3.153 -4.385 3.268 332 2HG2 ILE 52 2HG2 ILE 52 -3.584 -3.178 2.056 333 3HG2 ILE 52 3HG2 ILE 52 -2.523 -2.744 3.396 334 1HD1 ILE 52 1HD1 ILE 52 -1.668 -1.263 -0.338 335 2HD1 ILE 52 2HD1 ILE 52 -2.946 -1.775 0.766 336 3HD1 ILE 52 3HD1 ILE 52 -2.436 -2.836 -0.549 337 H LEU 53 H LEU 53 -1.217 -6.882 2.202 338 HA LEU 53 HA LEU 53 -2.915 -7.142 4.524 339 1HB LEU 53 2HB LEU 53 -2.427 -8.990 2.196 340 2HB LEU 53 1HB LEU 53 -3.547 -9.332 3.500 341 HG LEU 53 HG LEU 53 -3.739 -7.111 1.477 342 1HD1 LEU 53 1HD1 LEU 53 -5.811 -8.225 0.853 343 2HD1 LEU 53 2HD1 LEU 53 -5.524 -9.462 2.077 344 3HD1 LEU 53 3HD1 LEU 53 -4.433 -9.316 0.698 345 1HD2 LEU 53 1HD2 LEU 53 -5.836 -6.499 2.600 346 2HD2 LEU 53 2HD2 LEU 53 -4.433 -6.255 3.638 347 3HD2 LEU 53 3HD2 LEU 53 -5.477 -7.656 3.882 348 H ASP 54 H ASP 54 0.084 -8.570 3.336 349 HA ASP 54 HA ASP 54 0.170 -10.727 5.140 350 1HB ASP 54 2HB ASP 54 1.652 -10.537 3.161 351 2HB ASP 54 1HB ASP 54 2.523 -9.232 3.964 352 H LYS 55 H LYS 55 1.169 -7.371 5.453 353 HA LYS 55 HA LYS 55 2.289 -7.860 8.088 354 1HB LYS 55 2HB LYS 55 1.891 -5.175 6.771 355 2HB LYS 55 1HB LYS 55 3.008 -5.586 8.064 356 1HG LYS 55 2HG LYS 55 3.168 -6.374 5.171 357 2HG LYS 55 1HG LYS 55 4.282 -5.359 6.085 358 1HD LYS 55 2HD LYS 55 5.126 -7.201 7.295 359 2HD LYS 55 1HD LYS 55 3.790 -8.241 6.790 360 1HE LYS 55 2HE LYS 55 4.609 -8.007 4.440 361 2HE LYS 55 1HE LYS 55 6.030 -7.176 5.076 362 1HZ LYS 55 1HZ LYS 55 6.532 -9.174 6.377 363 2HZ LYS 55 2HZ LYS 55 6.496 -9.506 4.716 364 3HZ LYS 55 3HZ LYS 55 5.189 -9.961 5.700 365 H ALA 56 H ALA 56 -0.655 -6.758 6.642 366 HA ALA 56 HA ALA 56 -1.784 -5.498 8.923 367 1HB ALA 56 1HB ALA 56 -2.670 -5.130 6.660 368 2HB ALA 56 2HB ALA 56 -3.921 -5.692 7.769 369 3HB ALA 56 3HB ALA 56 -3.210 -6.810 6.606 370 H VAL 57 H VAL 57 -1.364 -8.783 7.940 371 HA VAL 57 HA VAL 57 -3.260 -10.030 9.611 372 HB VAL 57 HB VAL 57 -0.562 -10.969 8.615 373 1HG1 VAL 57 1HG1 VAL 57 -2.696 -12.592 9.993 374 2HG1 VAL 57 2HG1 VAL 57 -1.120 -12.173 10.665 375 3HG1 VAL 57 3HG1 VAL 57 -1.227 -13.226 9.254 376 1HG2 VAL 57 1HG2 VAL 57 -3.376 -11.612 7.739 377 2HG2 VAL 57 2HG2 VAL 57 -1.907 -12.334 7.081 378 3HG2 VAL 57 3HG2 VAL 57 -2.213 -10.611 6.869 379 H LYS 58 H LYS 58 0.071 -9.024 10.121 380 HA LYS 58 HA LYS 58 0.214 -9.914 12.837 381 1HB LYS 58 2HB LYS 58 1.971 -7.948 11.355 382 2HB LYS 58 1HB LYS 58 2.371 -8.795 12.846 383 1HG LYS 58 2HG LYS 58 2.500 -10.881 11.741 384 2HG LYS 58 1HG LYS 58 1.767 -10.230 10.275 385 1HD LYS 58 2HD LYS 58 4.159 -10.500 9.973 386 2HD LYS 58 1HD LYS 58 3.726 -8.790 9.950 387 1HE LYS 58 2HE LYS 58 5.750 -9.149 11.255 388 2HE LYS 58 1HE LYS 58 4.436 -8.590 12.290 389 1HZ LYS 58 1HZ LYS 58 5.395 -11.388 12.012 390 2HZ LYS 58 2HZ LYS 58 4.058 -10.910 12.941 391 3HZ LYS 58 3HZ LYS 58 5.606 -10.378 13.358 392 H ALA 59 H ALA 59 -0.913 -7.121 11.200 393 HA ALA 59 HA ALA 59 -0.846 -5.373 13.490 394 1HB ALA 59 1HB ALA 59 -2.324 -5.025 10.879 395 2HB ALA 59 2HB ALA 59 -0.685 -4.467 11.208 396 3HB ALA 59 3HB ALA 59 -2.043 -3.783 12.099 397 H LYS 60 H LYS 60 -2.902 -7.807 12.281 398 HA LYS 60 HA LYS 60 -5.283 -6.892 13.621 399 1HB LYS 60 2HB LYS 60 -5.149 -8.442 11.557 400 2HB LYS 60 1HB LYS 60 -4.775 -9.717 12.711 401 1HG LYS 60 2HG LYS 60 -7.122 -9.747 12.185 402 2HG LYS 60 1HG LYS 60 -6.900 -9.266 13.869 403 1HD LYS 60 2HD LYS 60 -7.192 -6.924 13.249 404 2HD LYS 60 1HD LYS 60 -7.364 -7.387 11.555 405 1HE LYS 60 2HE LYS 60 -9.361 -8.735 12.202 406 2HE LYS 60 1HE LYS 60 -9.222 -8.067 13.830 407 1HZ LYS 60 1HZ LYS 60 -9.668 -6.508 11.335 408 2HZ LYS 60 2HZ LYS 60 -9.488 -5.847 12.880 409 3HZ LYS 60 3HZ LYS 60 -10.823 -6.823 12.536 410 H GLY 61 H GLY 61 -3.023 -9.619 14.092 411 1HA GLY 61 2HA GLY 61 -2.056 -9.374 16.471 412 2HA GLY 61 1HA GLY 61 -3.733 -9.565 16.954 413 H GLU 62 H GLU 62 -3.436 -11.444 14.300 414 HA GLU 62 HA GLU 62 -2.392 -13.771 15.730 415 1HB GLU 62 2HB GLU 62 -4.384 -15.084 15.000 416 2HB GLU 62 1HB GLU 62 -4.744 -13.843 16.192 417 1HG GLU 62 2HG GLU 62 -5.532 -12.370 14.370 418 2HG GLU 62 1HG GLU 62 -5.247 -13.685 13.231 419 H LYS 63 H LYS 63 -2.149 -15.675 14.254 420 HA LYS 63 HA LYS 63 -1.006 -14.777 11.750 421 1HB LYS 63 2HB LYS 63 0.164 -16.428 13.165 422 2HB LYS 63 1HB LYS 63 -1.171 -17.546 12.952 423 1HG LYS 63 2HG LYS 63 0.349 -18.344 11.429 424 2HG LYS 63 1HG LYS 63 -0.640 -17.292 10.417 425 1HD LYS 63 2HD LYS 63 1.854 -16.262 11.723 426 2HD LYS 63 1HD LYS 63 1.940 -17.184 10.225 427 1HE LYS 63 2HE LYS 63 0.440 -15.557 9.154 428 2HE LYS 63 1HE LYS 63 0.395 -14.627 10.651 429 1HZ LYS 63 1HZ LYS 63 2.692 -14.124 10.457 430 2HZ LYS 63 2HZ LYS 63 2.007 -13.807 8.937 431 3HZ LYS 63 3HZ LYS 63 2.907 -15.225 9.185 432 H LEU 64 H LEU 64 -2.013 -14.819 9.869 433 HA LEU 64 HA LEU 64 -4.292 -16.626 9.456 434 1HB LEU 64 2HB LEU 64 -4.169 -13.746 8.543 435 2HB LEU 64 1HB LEU 64 -5.510 -14.855 8.330 436 HG LEU 64 HG LEU 64 -4.539 -13.864 11.014 437 1HD1 LEU 64 1HD1 LEU 64 -6.918 -12.973 9.393 438 2HD1 LEU 64 2HD1 LEU 64 -5.450 -12.036 9.672 439 3HD1 LEU 64 3HD1 LEU 64 -6.507 -12.442 11.024 440 1HD2 LEU 64 1HD2 LEU 64 -5.665 -16.040 11.072 441 2HD2 LEU 64 2HD2 LEU 64 -7.050 -15.339 10.236 442 3HD2 LEU 64 3HD2 LEU 64 -6.621 -14.781 11.853 443 H GLU 65 H GLU 65 -4.740 -16.976 7.105 444 HA GLU 65 HA GLU 65 -2.357 -16.441 5.458 445 1HB GLU 65 2HB GLU 65 -2.830 -18.687 4.349 446 2HB GLU 65 1HB GLU 65 -2.120 -18.719 5.955 447 1HG GLU 65 2HG GLU 65 -4.357 -19.144 6.900 448 2HG GLU 65 1HG GLU 65 -5.009 -19.193 5.261 449 H TRP 66 H TRP 66 -3.251 -14.725 4.408 450 HA TRP 66 HA TRP 66 -5.892 -14.860 3.284 451 1HB TRP 66 2HB TRP 66 -5.413 -12.595 2.443 452 2HB TRP 66 1HB TRP 66 -5.046 -12.743 4.156 453 HD1 TRP 66 HD TRP 66 -2.441 -12.616 4.866 454 HE1 TRP 66 1HE TRP 66 -0.396 -11.627 3.655 455 HE3 TRP 66 3HE TRP 66 -4.369 -12.263 0.137 456 HZ2 TRP 66 2HZ TRP 66 0.312 -10.819 1.054 457 HZ3 TRP 66 3HZ TRP 66 -2.937 -11.369 -1.651 458 HH2 TRP 66 HH TRP 66 -0.647 -10.664 -1.201 459 H ARG 67 H ARG 67 -2.776 -15.712 2.247 460 HA ARG 67 HA ARG 67 -3.016 -15.289 -0.537 461 1HB ARG 67 2HB ARG 67 -1.327 -17.179 1.101 462 2HB ARG 67 1HB ARG 67 -1.199 -17.064 -0.648 463 1HG ARG 67 2HG ARG 67 -0.422 -14.839 -0.544 464 2HG ARG 67 1HG ARG 67 -0.858 -14.689 1.159 465 1HD ARG 67 2HD ARG 67 0.880 -16.149 1.826 466 2HD ARG 67 1HD ARG 67 1.169 -16.679 0.170 467 HE ARG 67 HE ARG 67 2.270 -14.647 -0.283 468 1HH1 ARG 67 1HH1 ARG 67 1.214 -14.865 3.062 469 2HH1 ARG 67 2HH1 ARG 67 2.292 -13.612 3.617 470 1HH2 ARG 67 1HH2 ARG 67 3.699 -13.052 0.447 471 2HH2 ARG 67 2HH2 ARG 67 3.715 -12.596 2.121 472 H THR 68 H THR 68 -4.231 -17.697 1.607 473 HA THR 68 HA THR 68 -5.147 -19.332 -0.667 474 HB THR 68 HB THR 68 -5.231 -21.194 1.060 475 HG1 THR 68 1HG THR 68 -4.121 -20.835 2.989 476 1HG2 THR 68 1HG2 THR 68 -3.443 -21.094 -0.587 477 2HG2 THR 68 2HG2 THR 68 -2.784 -21.594 0.971 478 3HG2 THR 68 3HG2 THR 68 -2.558 -19.937 0.407 479 H SER 69 H SER 69 -5.954 -18.147 2.573 480 HA SER 69 HA SER 69 -8.678 -19.155 2.282 481 1HB SER 69 2HB SER 69 -7.238 -18.051 4.705 482 2HB SER 69 1HB SER 69 -8.819 -18.828 4.706 483 HG SER 69 HG SER 69 -6.279 -19.953 4.225 484 H ILE 70 H ILE 70 -10.338 -17.868 1.899 485 HA ILE 70 HA ILE 70 -9.850 -15.047 1.527 486 HB ILE 70 HB ILE 70 -11.245 -16.378 -0.055 487 1HG1 ILE 70 2HG1 ILE 70 -13.044 -14.666 -0.285 488 2HG1 ILE 70 1HG1 ILE 70 -12.585 -14.024 1.292 489 1HG2 ILE 70 1HG2 ILE 70 -13.556 -16.910 0.524 490 2HG2 ILE 70 2HG2 ILE 70 -13.269 -16.374 2.179 491 3HG2 ILE 70 3HG2 ILE 70 -12.416 -17.784 1.547 492 1HD1 ILE 70 1HD1 ILE 70 -11.627 -12.700 -0.495 493 2HD1 ILE 70 2HD1 ILE 70 -10.837 -14.132 -1.156 494 3HD1 ILE 70 3HD1 ILE 70 -10.359 -13.513 0.424 495 H VAL 71 H VAL 71 -11.387 -17.108 3.877 496 HA VAL 71 HA VAL 71 -12.878 -15.085 5.198 497 HB VAL 71 HB VAL 71 -13.449 -17.443 5.453 498 1HG1 VAL 71 1HG1 VAL 71 -12.084 -18.938 6.843 499 2HG1 VAL 71 2HG1 VAL 71 -10.832 -17.699 6.922 500 3HG1 VAL 71 3HG1 VAL 71 -11.249 -18.433 5.374 501 1HG2 VAL 71 1HG2 VAL 71 -12.615 -16.179 8.061 502 2HG2 VAL 71 2HG2 VAL 71 -13.766 -17.505 7.885 503 3HG2 VAL 71 3HG2 VAL 71 -14.137 -15.916 7.214 504 H ASP 72 H ASP 72 -9.591 -16.192 5.378 505 HA ASP 72 HA ASP 72 -8.899 -15.128 7.887 506 1HB ASP 72 2HB ASP 72 -7.319 -15.909 5.457 507 2HB ASP 72 1HB ASP 72 -6.527 -15.131 6.824 508 H LEU 73 H LEU 73 -8.446 -13.796 4.606 509 HA LEU 73 HA LEU 73 -7.369 -11.359 5.592 510 1HB LEU 73 2HB LEU 73 -7.631 -10.519 3.290 511 2HB LEU 73 1HB LEU 73 -6.796 -12.052 3.371 512 HG LEU 73 HG LEU 73 -9.194 -13.021 2.843 513 1HD1 LEU 73 1HD1 LEU 73 -9.334 -10.246 1.675 514 2HD1 LEU 73 2HD1 LEU 73 -10.365 -10.892 2.953 515 3HD1 LEU 73 3HD1 LEU 73 -10.445 -11.572 1.328 516 1HD2 LEU 73 1HD2 LEU 73 -7.231 -13.344 1.468 517 2HD2 LEU 73 2HD2 LEU 73 -7.396 -11.717 0.808 518 3HD2 LEU 73 3HD2 LEU 73 -8.619 -12.940 0.457 519 H MET 74 H MET 74 -10.597 -12.475 4.913 520 HA MET 74 HA MET 74 -11.943 -10.044 4.748 521 1HB MET 74 2HB MET 74 -13.022 -12.142 4.202 522 2HB MET 74 1HB MET 74 -12.862 -12.698 5.861 523 1HG MET 74 2HG MET 74 -14.458 -11.138 6.635 524 2HG MET 74 1HG MET 74 -14.456 -10.270 5.103 525 1HE MET 74 1HE MET 74 -15.386 -13.671 6.873 526 2HE MET 74 2HE MET 74 -14.413 -14.176 5.491 527 3HE MET 74 3HE MET 74 -16.135 -14.553 5.540 528 H LYS 75 H LYS 75 -11.422 -12.078 7.639 529 HA LYS 75 HA LYS 75 -12.450 -10.107 9.409 530 1HB LYS 75 2HB LYS 75 -11.366 -11.555 11.196 531 2HB LYS 75 1HB LYS 75 -12.588 -12.322 10.192 532 1HG LYS 75 2HG LYS 75 -10.729 -13.258 8.803 533 2HG LYS 75 1HG LYS 75 -9.606 -12.652 10.021 534 1HD LYS 75 2HD LYS 75 -10.587 -14.043 11.709 535 2HD LYS 75 1HD LYS 75 -11.899 -14.516 10.630 536 1HE LYS 75 2HE LYS 75 -10.275 -15.626 9.162 537 2HE LYS 75 1HE LYS 75 -8.976 -15.163 10.261 538 1HZ LYS 75 1HZ LYS 75 -9.700 -17.449 10.614 539 2HZ LYS 75 2HZ LYS 75 -11.269 -16.919 10.969 540 3HZ LYS 75 3HZ LYS 75 -9.982 -16.496 11.990 541 H ALA 76 H ALA 76 -9.228 -10.954 8.291 542 HA ALA 76 HA ALA 76 -7.587 -9.649 10.067 543 1HB ALA 76 1HB ALA 76 -7.194 -9.730 7.079 544 2HB ALA 76 2HB ALA 76 -6.821 -11.053 8.185 545 3HB ALA 76 3HB ALA 76 -5.946 -9.526 8.307 546 H LEU 77 H LEU 77 -9.365 -8.213 7.342 547 HA LEU 77 HA LEU 77 -8.282 -5.619 7.829 548 1HB LEU 77 2HB LEU 77 -10.522 -6.642 6.131 549 2HB LEU 77 1HB LEU 77 -10.382 -4.923 6.435 550 HG LEU 77 HG LEU 77 -9.333 -5.296 4.359 551 1HD1 LEU 77 1HD1 LEU 77 -7.150 -5.180 6.432 552 2HD1 LEU 77 2HD1 LEU 77 -8.094 -3.813 5.844 553 3HD1 LEU 77 3HD1 LEU 77 -7.018 -4.677 4.747 554 1HD2 LEU 77 1HD2 LEU 77 -9.094 -7.712 4.481 555 2HD2 LEU 77 2HD2 LEU 77 -7.778 -7.537 5.642 556 3HD2 LEU 77 3HD2 LEU 77 -7.581 -6.952 3.990 557 H ASP 78 H ASP 78 -11.764 -6.404 7.981 558 HA ASP 78 HA ASP 78 -11.964 -5.122 10.589 559 1HB ASP 78 2HB ASP 78 -11.789 -3.204 9.088 560 2HB ASP 78 1HB ASP 78 -13.076 -3.844 8.081 561 H ILE 79 H ILE 79 -12.866 -7.633 8.899 562 HA ILE 79 HA ILE 79 -15.761 -7.128 9.015 563 HB ILE 79 HB ILE 79 -14.324 -9.238 7.415 564 1HG1 ILE 79 2HG1 ILE 79 -13.851 -6.973 6.602 565 2HG1 ILE 79 1HG1 ILE 79 -14.890 -7.828 5.474 566 1HG2 ILE 79 1HG2 ILE 79 -17.218 -8.389 7.413 567 2HG2 ILE 79 2HG2 ILE 79 -16.580 -9.915 8.024 568 3HG2 ILE 79 3HG2 ILE 79 -16.486 -9.549 6.302 569 1HD1 ILE 79 1HD1 ILE 79 -15.782 -5.772 7.476 570 2HD1 ILE 79 2HD1 ILE 79 -16.828 -6.630 6.346 571 3HD1 ILE 79 3HD1 ILE 79 -15.592 -5.524 5.740 572 H ASP 80 H ASP 80 -17.106 -8.256 10.134 573 HA ASP 80 HA ASP 80 -16.509 -9.693 12.384 574 1HB ASP 80 2HB ASP 80 -18.664 -8.958 12.386 575 2HB ASP 80 1HB ASP 80 -18.890 -9.275 10.672 576 H SER 81 H SER 81 -17.412 -11.056 9.220 577 HA SER 81 HA SER 81 -16.828 -12.976 8.170 578 1HB SER 81 2HB SER 81 -14.828 -13.281 10.416 579 2HB SER 81 1HB SER 81 -14.817 -14.173 8.892 580 HG SER 81 HG SER 81 -14.294 -11.445 9.372 581 H SER 82 H SER 82 -18.765 -12.927 10.574 582 HA SER 82 HA SER 82 -18.701 -15.702 11.413 583 1HB SER 82 2HB SER 82 -19.422 -13.838 12.934 584 2HB SER 82 1HB SER 82 -20.835 -13.609 11.906 585 HG SER 82 HG SER 82 -20.146 -15.913 13.424 586 H LEU 83 H LEU 83 -21.679 -15.894 11.380 587 HA LEU 83 HA LEU 83 -21.918 -17.255 8.908 588 1HB LEU 83 2HB LEU 83 -23.171 -17.660 11.131 589 2HB LEU 83 1HB LEU 83 -24.255 -16.393 10.600 590 HG LEU 83 HG LEU 83 -25.102 -18.689 10.156 591 1HD1 LEU 83 1HD1 LEU 83 -25.792 -18.316 7.841 592 2HD1 LEU 83 2HD1 LEU 83 -24.563 -17.062 7.675 593 3HD1 LEU 83 3HD1 LEU 83 -25.909 -16.835 8.792 594 1HD2 LEU 83 1HD2 LEU 83 -24.094 -19.995 8.348 595 2HD2 LEU 83 2HD2 LEU 83 -22.985 -19.784 9.703 596 3HD2 LEU 83 3HD2 LEU 83 -22.784 -18.822 8.239 597 H SER 84 H SER 84 -23.357 -14.202 10.093 598 HA SER 84 HA SER 84 -24.824 -13.584 7.804 599 1HB SER 84 2HB SER 84 -23.485 -11.640 9.700 600 2HB SER 84 1HB SER 84 -24.831 -11.278 8.620 601 HG SER 84 HG SER 84 -26.170 -12.498 9.832 602 H ALA 85 H ALA 85 -21.422 -13.010 8.514 603 HA ALA 85 HA ALA 85 -20.935 -11.247 6.349 604 1HB ALA 85 1HB ALA 85 -18.573 -11.654 6.784 605 2HB ALA 85 2HB ALA 85 -18.992 -13.010 7.830 606 3HB ALA 85 3HB ALA 85 -19.457 -11.372 8.285 607 H ARG 86 H ARG 86 -20.281 -14.740 6.741 608 HA ARG 86 HA ARG 86 -19.312 -15.082 4.102 609 1HB ARG 86 2HB ARG 86 -19.448 -17.458 4.511 610 2HB ARG 86 1HB ARG 86 -18.850 -16.670 5.963 611 1HG ARG 86 2HG ARG 86 -21.102 -16.805 6.941 612 2HG ARG 86 1HG ARG 86 -21.657 -17.652 5.497 613 1HD ARG 86 2HD ARG 86 -21.189 -19.268 7.209 614 2HD ARG 86 1HD ARG 86 -19.971 -19.417 5.943 615 HE ARG 86 HE ARG 86 -19.161 -17.688 8.080 616 1HH1 ARG 86 1HH1 ARG 86 -19.428 -21.047 7.119 617 2HH1 ARG 86 2HH1 ARG 86 -18.090 -21.570 8.099 618 1HH2 ARG 86 1HH2 ARG 86 -17.395 -18.374 9.385 619 2HH2 ARG 86 2HH2 ARG 86 -16.923 -20.048 9.383 620 H LYS 87 H LYS 87 -22.453 -14.900 5.470 621 HA LYS 87 HA LYS 87 -23.892 -16.262 3.441 622 1HB LYS 87 2HB LYS 87 -24.771 -15.887 5.715 623 2HB LYS 87 1HB LYS 87 -24.829 -14.160 5.404 624 1HG LYS 87 2HG LYS 87 -27.030 -15.034 5.174 625 2HG LYS 87 1HG LYS 87 -26.444 -14.604 3.566 626 1HD LYS 87 2HD LYS 87 -27.569 -16.730 3.446 627 2HD LYS 87 1HD LYS 87 -25.840 -16.980 3.206 628 1HE LYS 87 2HE LYS 87 -25.571 -17.801 5.423 629 2HE LYS 87 1HE LYS 87 -27.216 -17.331 5.858 630 1HZ LYS 87 1HZ LYS 87 -26.845 -19.752 5.356 631 2HZ LYS 87 2HZ LYS 87 -26.643 -19.316 3.729 632 3HZ LYS 87 3HZ LYS 87 -28.115 -19.014 4.514 633 H GLU 88 H GLU 88 -23.332 -12.783 4.096 634 HA GLU 88 HA GLU 88 -24.760 -12.048 1.734 635 1HB GLU 88 2HB GLU 88 -24.263 -9.787 2.226 636 2HB GLU 88 1HB GLU 88 -24.581 -10.576 3.760 637 1HG GLU 88 2HG GLU 88 -22.438 -10.343 4.479 638 2HG GLU 88 1HG GLU 88 -21.764 -10.355 2.844 639 H LEU 89 H LEU 89 -21.306 -12.259 2.563 640 HA LEU 89 HA LEU 89 -20.317 -11.096 0.225 641 1HB LEU 89 2HB LEU 89 -18.918 -11.574 2.170 642 2HB LEU 89 1HB LEU 89 -19.088 -13.294 1.886 643 HG LEU 89 HG LEU 89 -17.784 -13.169 -0.127 644 1HD1 LEU 89 1HD1 LEU 89 -16.831 -11.058 -0.931 645 2HD1 LEU 89 2HD1 LEU 89 -17.760 -10.181 0.282 646 3HD1 LEU 89 3HD1 LEU 89 -18.591 -11.055 -1.002 647 1HD2 LEU 89 1HD2 LEU 89 -16.536 -13.308 1.952 648 2HD2 LEU 89 2HD2 LEU 89 -16.506 -11.548 2.070 649 3HD2 LEU 89 3HD2 LEU 89 -15.649 -12.359 0.758 650 H ALA 90 H ALA 90 -21.222 -14.430 0.919 651 HA ALA 90 HA ALA 90 -20.395 -15.542 -1.520 652 1HB ALA 90 1HB ALA 90 -20.936 -16.918 0.412 653 2HB ALA 90 2HB ALA 90 -21.893 -17.403 -0.988 654 3HB ALA 90 3HB ALA 90 -22.628 -16.441 0.296 655 H LYS 91 H LYS 91 -23.518 -14.134 -0.520 656 HA LYS 91 HA LYS 91 -24.823 -14.873 -2.938 657 1HB LYS 91 2HB LYS 91 -26.721 -13.662 -2.165 658 2HB LYS 91 1HB LYS 91 -26.003 -14.448 -0.769 659 1HG LYS 91 2HG LYS 91 -24.981 -12.346 -0.094 660 2HG LYS 91 1HG LYS 91 -25.659 -11.552 -1.514 661 1HD LYS 91 2HD LYS 91 -27.922 -12.087 -0.707 662 2HD LYS 91 1HD LYS 91 -27.216 -12.822 0.734 663 1HE LYS 91 2HE LYS 91 -27.933 -10.585 1.263 664 2HE LYS 91 1HE LYS 91 -26.171 -10.655 1.284 665 1HZ LYS 91 1HZ LYS 91 -26.141 -9.667 -0.932 666 2HZ LYS 91 2HZ LYS 91 -26.958 -8.666 0.168 667 3HZ LYS 91 3HZ LYS 91 -27.839 -9.599 -0.940 668 H GLU 92 H GLU 92 -22.980 -12.049 -1.985 669 HA GLU 92 HA GLU 92 -23.832 -10.334 -4.076 670 1HB GLU 92 2HB GLU 92 -21.054 -10.355 -2.889 671 2HB GLU 92 1HB GLU 92 -21.896 -9.000 -3.618 672 1HG GLU 92 2HG GLU 92 -22.609 -10.326 -1.013 673 2HG GLU 92 1HG GLU 92 -21.742 -8.808 -1.195 674 H LEU 93 H LEU 93 -21.652 -13.005 -3.873 675 HA LEU 93 HA LEU 93 -20.527 -12.547 -6.515 676 1HB LEU 93 2HB LEU 93 -20.149 -14.897 -4.663 677 2HB LEU 93 1HB LEU 93 -19.167 -14.496 -6.059 678 HG LEU 93 HG LEU 93 -19.354 -12.848 -3.532 679 1HD1 LEU 93 1HD1 LEU 93 -17.043 -13.610 -3.164 680 2HD1 LEU 93 2HD1 LEU 93 -17.197 -14.686 -4.552 681 3HD1 LEU 93 3HD1 LEU 93 -18.207 -14.936 -3.129 682 1HD2 LEU 93 1HD2 LEU 93 -17.486 -11.590 -4.476 683 2HD2 LEU 93 2HD2 LEU 93 -18.910 -11.487 -5.511 684 3HD2 LEU 93 3HD2 LEU 93 -17.576 -12.553 -5.951 685 H GLY 94 H GLY 94 -22.636 -14.895 -4.876 686 1HA GLY 94 2HA GLY 94 -24.368 -15.358 -6.955 687 2HA GLY 94 1HA GLY 94 -23.039 -16.471 -7.239 688 H TYR 95 H TYR 95 -22.604 -16.694 -4.295 689 HA TYR 95 HA TYR 95 -23.168 -18.032 -2.561 690 1HB TYR 95 2HB TYR 95 -25.252 -16.574 -2.610 691 2HB TYR 95 1HB TYR 95 -26.041 -17.875 -3.492 692 HD1 TYR 95 1HD TYR 95 -24.094 -17.322 -0.353 693 HD2 TYR 95 2HD TYR 95 -27.251 -19.439 -2.263 694 HE1 TYR 95 1HE TYR 95 -24.663 -18.389 1.785 695 HE2 TYR 95 2HE TYR 95 -27.829 -20.511 -0.126 696 HH TYR 95 HH TYR 95 -26.725 -21.066 2.011 697 H SER 96 H SER 96 -22.808 -19.033 -5.418 698 HA SER 96 HA SER 96 -24.238 -21.518 -5.476 699 1HB SER 96 2HB SER 96 -21.857 -20.682 -7.146 700 2HB SER 96 1HB SER 96 -23.030 -21.946 -7.523 701 HG SER 96 HG SER 96 -23.343 -19.838 -8.588 702 H GLY 97 H GLY 97 -23.488 -22.077 -3.255 703 1HA GLY 97 2HA GLY 97 -21.527 -24.111 -3.389 704 2HA GLY 97 1HA GLY 97 -20.852 -22.691 -2.602 705 H ASP 98 H ASP 98 -22.285 -25.560 -2.024 706 HA ASP 98 HA ASP 98 -22.835 -24.901 0.725 707 1HB ASP 98 2HB ASP 98 -24.993 -24.298 -0.285 708 2HB ASP 98 1HB ASP 98 -25.101 -25.892 -1.025 709 H MET 99 H MET 99 -23.540 -27.390 -1.725 710 HA MET 99 HA MET 99 -23.185 -29.566 0.069 711 1HB MET 99 2HB MET 99 -23.426 -30.984 -1.852 712 2HB MET 99 1HB MET 99 -24.561 -29.648 -2.013 713 1HG MET 99 2HG MET 99 -23.036 -28.540 -3.563 714 2HG MET 99 1HG MET 99 -21.891 -29.866 -3.391 715 1HE MET 99 1HE MET 99 -21.728 -30.293 -5.932 716 2HE MET 99 2HE MET 99 -22.796 -28.920 -6.224 717 3HE MET 99 3HE MET 99 -23.117 -30.467 -7.006 718 H ASN 100 H ASN 100 -21.005 -27.552 -1.447 719 HA ASN 100 HA ASN 100 -18.852 -29.512 -1.605 720 1HB ASN 100 2HB ASN 100 -17.549 -27.503 -2.452 721 2HB ASN 100 1HB ASN 100 -18.909 -28.005 -3.455 722 1HD2 ASN 100 1HD2 ASN 100 -17.703 -25.586 -1.262 723 2HD2 ASN 100 2HD2 ASN 100 -18.897 -24.389 -1.617 724 H ASP 101 H ASP 101 -20.271 -27.960 0.798 725 HA ASP 101 HA ASP 101 -19.716 -27.449 2.934 726 1HB ASP 101 2HB ASP 101 -18.349 -29.613 2.563 727 2HB ASP 101 1HB ASP 101 -16.955 -28.548 2.428 728 H SER 102 H SER 102 -17.647 -26.391 4.224 729 HA SER 102 HA SER 102 -17.291 -23.826 2.980 730 1HB SER 102 2HB SER 102 -16.075 -24.935 5.526 731 2HB SER 102 1HB SER 102 -16.138 -23.237 5.054 732 HG SER 102 HG SER 102 -18.544 -24.685 5.174 733 H ALA 103 H ALA 103 -15.659 -26.798 3.036 734 HA ALA 103 HA ALA 103 -12.982 -26.147 2.727 735 1HB ALA 103 1HB ALA 103 -13.806 -28.434 2.982 736 2HB ALA 103 2HB ALA 103 -12.759 -28.288 1.570 737 3HB ALA 103 3HB ALA 103 -14.511 -28.367 1.366 738 H SER 104 H SER 104 -15.173 -26.941 0.016 739 HA SER 104 HA SER 104 -13.397 -25.771 -1.888 740 1HB SER 104 2HB SER 104 -16.290 -26.567 -2.290 741 2HB SER 104 1HB SER 104 -15.052 -26.392 -3.535 742 HG SER 104 HG SER 104 -13.936 -28.147 -2.551 743 H MET 105 H MET 105 -15.890 -24.576 0.123 744 HA MET 105 HA MET 105 -16.754 -22.416 -1.518 745 1HB MET 105 2HB MET 105 -18.094 -23.344 0.357 746 2HB MET 105 1HB MET 105 -16.925 -22.677 1.488 747 1HG MET 105 2HG MET 105 -17.461 -20.429 0.760 748 2HG MET 105 1HG MET 105 -18.581 -21.068 -0.441 749 1HE MET 105 1HE MET 105 -17.976 -22.244 3.286 750 2HE MET 105 2HE MET 105 -19.217 -21.311 4.125 751 3HE MET 105 3HE MET 105 -17.860 -20.486 3.356 752 H ASN 106 H ASN 106 -14.214 -22.857 0.857 753 HA ASN 106 HA ASN 106 -13.492 -20.136 1.153 754 1HB ASN 106 2HB ASN 106 -12.766 -21.904 2.720 755 2HB ASN 106 1HB ASN 106 -11.783 -22.622 1.449 756 1HD2 ASN 106 1HD2 ASN 106 -9.898 -22.398 2.630 757 2HD2 ASN 106 2HD2 ASN 106 -9.140 -20.869 2.894 758 H ILE 107 H ILE 107 -12.678 -22.605 -1.180 759 HA ILE 107 HA ILE 107 -10.521 -21.143 -2.379 760 HB ILE 107 HB ILE 107 -12.044 -23.499 -3.502 761 1HG1 ILE 107 2HG1 ILE 107 -9.485 -23.468 -1.884 762 2HG1 ILE 107 1HG1 ILE 107 -11.059 -23.953 -1.263 763 1HG2 ILE 107 1HG2 ILE 107 -9.315 -22.386 -4.156 764 2HG2 ILE 107 2HG2 ILE 107 -10.750 -22.302 -5.178 765 3HG2 ILE 107 3HG2 ILE 107 -10.008 -23.862 -4.827 766 1HD1 ILE 107 1HD1 ILE 107 -11.118 -25.804 -2.833 767 2HD1 ILE 107 2HD1 ILE 107 -9.673 -25.870 -1.826 768 3HD1 ILE 107 3HD1 ILE 107 -9.560 -25.307 -3.494 769 H TRP 108 H TRP 108 -13.786 -22.053 -3.514 770 HA TRP 108 HA TRP 108 -13.768 -20.689 -5.931 771 1HB TRP 108 2HB TRP 108 -15.506 -22.261 -5.482 772 2HB TRP 108 1HB TRP 108 -16.025 -21.379 -4.051 773 HD1 TRP 108 HD TRP 108 -16.102 -21.080 -7.907 774 HE1 TRP 108 1HE TRP 108 -18.076 -19.554 -8.556 775 HE3 TRP 108 3HE TRP 108 -17.594 -19.639 -3.229 776 HZ2 TRP 108 2HZ TRP 108 -20.007 -17.960 -7.254 777 HZ3 TRP 108 3HZ TRP 108 -19.509 -18.112 -3.020 778 HH2 TRP 108 HH TRP 108 -20.691 -17.287 -4.991 779 H LEU 109 H LEU 109 -14.923 -19.562 -2.782 780 HA LEU 109 HA LEU 109 -15.836 -17.054 -3.705 781 1HB LEU 109 2HB LEU 109 -16.498 -18.330 -1.593 782 2HB LEU 109 1HB LEU 109 -15.016 -17.731 -0.881 783 HG LEU 109 HG LEU 109 -16.930 -15.745 -2.022 784 1HD1 LEU 109 1HD1 LEU 109 -17.255 -17.106 0.651 785 2HD1 LEU 109 2HD1 LEU 109 -18.360 -17.230 -0.719 786 3HD1 LEU 109 3HD1 LEU 109 -18.144 -15.685 0.104 787 1HD2 LEU 109 1HD2 LEU 109 -15.100 -15.781 0.373 788 2HD2 LEU 109 2HD2 LEU 109 -16.089 -14.414 -0.140 789 3HD2 LEU 109 3HD2 LEU 109 -14.781 -14.993 -1.172 790 H HIS 110 H HIS 110 -12.758 -18.203 -2.473 791 HA HIS 110 HA HIS 110 -11.510 -15.739 -1.975 792 1HB HIS 110 2HB HIS 110 -10.586 -17.955 -1.312 793 2HB HIS 110 1HB HIS 110 -10.221 -18.283 -3.000 794 HD1 HIS 110 1HD HIS 110 -8.034 -17.406 -3.897 795 HD2 HIS 110 2HD HIS 110 -8.990 -15.849 -0.163 796 HE1 HIS 110 1HE HIS 110 -5.977 -16.182 -3.126 797 HE2 HIS 110 2HE HIS 110 -6.534 -15.365 -0.807 798 H LYS 111 H LYS 111 -11.759 -17.670 -4.931 799 HA LYS 111 HA LYS 111 -10.051 -16.006 -6.488 800 1HB LYS 111 2HB LYS 111 -12.201 -17.829 -7.563 801 2HB LYS 111 1HB LYS 111 -10.725 -17.316 -8.367 802 1HG LYS 111 2HG LYS 111 -9.429 -18.582 -6.668 803 2HG LYS 111 1HG LYS 111 -10.956 -19.191 -6.025 804 1HD LYS 111 2HD LYS 111 -9.780 -19.659 -8.760 805 2HD LYS 111 1HD LYS 111 -10.101 -20.853 -7.500 806 1HE LYS 111 2HE LYS 111 -12.492 -20.509 -7.745 807 2HE LYS 111 1HE LYS 111 -12.209 -19.239 -8.935 808 1HZ LYS 111 1HZ LYS 111 -11.047 -20.998 -10.285 809 2HZ LYS 111 2HZ LYS 111 -12.726 -21.164 -10.142 810 3HZ LYS 111 3HZ LYS 111 -11.700 -22.143 -9.214 811 H GLN 112 H GLN 112 -13.563 -16.243 -6.113 812 HA GLN 112 HA GLN 112 -14.192 -14.449 -8.196 813 1HB GLN 112 2HB GLN 112 -15.717 -16.162 -7.097 814 2HB GLN 112 1HB GLN 112 -15.916 -15.008 -5.787 815 1HG GLN 112 2HG GLN 112 -17.763 -14.848 -7.322 816 2HG GLN 112 1HG GLN 112 -16.807 -13.368 -7.374 817 1HE2 GLN 112 1HE2 GLN 112 -15.829 -16.360 -8.888 818 2HE2 GLN 112 2HE2 GLN 112 -15.992 -15.810 -10.518 819 H VAL 113 H VAL 113 -13.743 -13.963 -4.706 820 HA VAL 113 HA VAL 113 -14.413 -11.207 -4.709 821 HB VAL 113 HB VAL 113 -12.718 -12.825 -2.796 822 1HG1 VAL 113 1HG1 VAL 113 -12.035 -10.477 -2.696 823 2HG1 VAL 113 2HG1 VAL 113 -12.910 -10.947 -1.238 824 3HG1 VAL 113 3HG1 VAL 113 -13.717 -9.993 -2.482 825 1HG2 VAL 113 1HG2 VAL 113 -15.061 -13.455 -2.853 826 2HG2 VAL 113 2HG2 VAL 113 -15.538 -11.772 -2.629 827 3HG2 VAL 113 3HG2 VAL 113 -14.688 -12.626 -1.340 828 H MET 114 H MET 114 -11.442 -12.987 -5.304 829 HA MET 114 HA MET 114 -9.677 -10.795 -5.299 830 1HB MET 114 2HB MET 114 -9.552 -13.577 -5.955 831 2HB MET 114 1HB MET 114 -8.797 -12.658 -7.247 832 1HG MET 114 2HG MET 114 -7.033 -13.095 -5.837 833 2HG MET 114 1HG MET 114 -7.513 -11.471 -5.360 834 1HE MET 114 1HE MET 114 -9.935 -11.710 -3.463 835 2HE MET 114 2HE MET 114 -8.470 -10.823 -3.040 836 3HE MET 114 3HE MET 114 -9.164 -11.977 -1.900 837 H SER 115 H SER 115 -11.808 -12.125 -7.744 838 HA SER 115 HA SER 115 -10.875 -10.675 -9.966 839 1HB SER 115 2HB SER 115 -13.673 -11.681 -9.394 840 2HB SER 115 1HB SER 115 -13.057 -11.197 -10.974 841 HG SER 115 HG SER 115 -12.998 -13.508 -10.545 842 H LYS 116 H LYS 116 -12.453 -9.596 -7.172 843 HA LYS 116 HA LYS 116 -13.421 -7.165 -8.473 844 1HB LYS 116 2HB LYS 116 -13.606 -7.829 -5.536 845 2HB LYS 116 1HB LYS 116 -14.561 -6.666 -6.442 846 1HG LYS 116 2HG LYS 116 -14.703 -9.659 -6.758 847 2HG LYS 116 1HG LYS 116 -15.831 -8.673 -5.831 848 1HD LYS 116 2HD LYS 116 -16.410 -7.452 -7.907 849 2HD LYS 116 1HD LYS 116 -15.350 -8.539 -8.809 850 1HE LYS 116 2HE LYS 116 -16.704 -10.449 -8.098 851 2HE LYS 116 1HE LYS 116 -17.754 -9.369 -7.184 852 1HZ LYS 116 1HZ LYS 116 -18.811 -9.838 -9.234 853 2HZ LYS 116 2HZ LYS 116 -17.419 -9.484 -10.129 854 3HZ LYS 116 3HZ LYS 116 -18.254 -8.238 -9.332 855 H LEU 117 H LEU 117 -11.600 -8.015 -5.558 856 HA LEU 117 HA LEU 117 -10.576 -5.601 -4.846 857 1HB LEU 117 2HB LEU 117 -9.463 -8.363 -4.551 858 2HB LEU 117 1HB LEU 117 -8.605 -6.973 -3.919 859 HG LEU 117 HG LEU 117 -11.389 -7.824 -3.124 860 1HD1 LEU 117 1HD1 LEU 117 -9.663 -9.348 -2.331 861 2HD1 LEU 117 2HD1 LEU 117 -10.324 -8.403 -0.998 862 3HD1 LEU 117 3HD1 LEU 117 -8.751 -7.988 -1.675 863 1HD2 LEU 117 1HD2 LEU 117 -9.609 -5.621 -2.080 864 2HD2 LEU 117 2HD2 LEU 117 -11.156 -6.109 -1.386 865 3HD2 LEU 117 3HD2 LEU 117 -11.099 -5.407 -3.002 866 H VAL 118 H VAL 118 -8.616 -8.007 -6.640 867 HA VAL 118 HA VAL 118 -6.540 -6.093 -7.019 868 HB VAL 118 HB VAL 118 -5.380 -7.760 -8.317 869 1HG1 VAL 118 1HG1 VAL 118 -5.308 -8.004 -5.912 870 2HG1 VAL 118 2HG1 VAL 118 -5.324 -9.596 -6.669 871 3HG1 VAL 118 3HG1 VAL 118 -6.793 -8.953 -5.933 872 1HG2 VAL 118 1HG2 VAL 118 -7.238 -8.585 -9.656 873 2HG2 VAL 118 2HG2 VAL 118 -7.931 -9.364 -8.232 874 3HG2 VAL 118 3HG2 VAL 118 -6.383 -9.915 -8.875 875 H ALA 119 H ALA 119 -9.422 -6.700 -8.680 876 HA ALA 119 HA ALA 119 -8.515 -5.688 -11.237 877 1HB ALA 119 1HB ALA 119 -10.289 -7.380 -11.130 878 2HB ALA 119 2HB ALA 119 -10.838 -5.901 -11.919 879 3HB ALA 119 3HB ALA 119 -11.312 -6.240 -10.256 880 H ASN 120 H ASN 120 -9.329 -4.343 -8.254 881 HA ASN 120 HA ASN 120 -10.335 -1.843 -9.329 882 1HB ASN 120 2HB ASN 120 -9.468 -2.687 -6.564 883 2HB ASN 120 1HB ASN 120 -9.852 -1.014 -6.941 884 1HD2 ASN 120 1HD2 ASN 120 -11.488 -3.811 -8.283 885 2HD2 ASN 120 2HD2 ASN 120 -13.007 -3.540 -7.508 886 H GLY 121 H GLY 121 -7.341 -3.307 -9.199 887 1HA GLY 121 2HA GLY 121 -5.610 -1.996 -10.420 888 2HA GLY 121 1HA GLY 121 -5.978 -0.687 -9.307 889 H GLY 122 H GLY 122 -5.939 -3.910 -8.086 890 1HA GLY 122 2HA GLY 122 -3.508 -3.249 -6.580 891 2HA GLY 122 1HA GLY 122 -4.741 -4.397 -6.073 892 H LYS 123 H LYS 123 -1.721 -4.429 -6.703 893 HA LYS 123 HA LYS 123 -1.648 -6.575 -8.688 894 1HB LYS 123 2HB LYS 123 -0.038 -4.660 -8.819 895 2HB LYS 123 1HB LYS 123 0.641 -5.170 -7.285 896 1HG LYS 123 2HG LYS 123 0.557 -7.099 -9.561 897 2HG LYS 123 1HG LYS 123 1.789 -5.837 -9.528 898 1HD LYS 123 2HD LYS 123 1.292 -7.822 -7.307 899 2HD LYS 123 1HD LYS 123 2.550 -7.978 -8.535 900 1HE LYS 123 2HE LYS 123 3.629 -5.980 -7.770 901 2HE LYS 123 1HE LYS 123 2.294 -5.622 -6.675 902 1HZ LYS 123 1HZ LYS 123 2.845 -7.690 -5.478 903 2HZ LYS 123 2HZ LYS 123 4.080 -6.542 -5.428 904 3HZ LYS 123 3HZ LYS 123 4.212 -7.883 -6.466 905 H LEU 124 H LEU 124 -1.141 -8.645 -8.204 906 HA LEU 124 HA LEU 124 -0.486 -9.287 -5.428 907 1HB LEU 124 2HB LEU 124 -1.931 -11.248 -5.459 908 2HB LEU 124 1HB LEU 124 -2.843 -9.777 -5.673 909 HG LEU 124 HG LEU 124 -3.826 -11.483 -7.013 910 1HD1 LEU 124 1HD1 LEU 124 -3.674 -9.216 -8.020 911 2HD1 LEU 124 2HD1 LEU 124 -3.872 -10.530 -9.178 912 3HD1 LEU 124 3HD1 LEU 124 -2.290 -9.789 -8.954 913 1HD2 LEU 124 1HD2 LEU 124 -2.660 -12.685 -8.781 914 2HD2 LEU 124 2HD2 LEU 124 -1.983 -13.026 -7.188 915 3HD2 LEU 124 3HD2 LEU 124 -1.144 -11.932 -8.288 916 HA PRO 125 HA PRO 125 2.627 -11.892 -7.247 917 1HB PRO 125 2HB PRO 125 2.694 -13.495 -4.829 918 2HB PRO 125 1HB PRO 125 3.871 -12.310 -5.396 919 1HG PRO 125 2HG PRO 125 2.309 -11.946 -3.188 920 2HG PRO 125 1HG PRO 125 2.946 -10.615 -4.172 921 1HD PRO 125 2HD PRO 125 0.212 -11.840 -4.179 922 2HD PRO 125 1HD PRO 125 0.682 -10.131 -4.304 923 HA PRO 126 HA PRO 126 0.609 -15.546 -8.707 924 1HB PRO 126 2HB PRO 126 3.133 -17.049 -8.514 925 2HB PRO 126 1HB PRO 126 2.182 -16.629 -9.941 926 1HG PRO 126 2HG PRO 126 4.530 -15.445 -9.425 927 2HG PRO 126 1HG PRO 126 3.183 -14.560 -10.163 928 1HD PRO 126 2HD PRO 126 4.133 -14.542 -7.321 929 2HD PRO 126 1HD PRO 126 3.600 -13.186 -8.337 930 H GLU 127 H GLU 127 1.297 -15.264 -5.637 931 HA GLU 127 HA GLU 127 1.103 -18.031 -4.802 932 1HB GLU 127 2HB GLU 127 0.893 -15.489 -3.174 933 2HB GLU 127 1HB GLU 127 1.025 -17.116 -2.526 934 1HG GLU 127 2HG GLU 127 3.254 -17.319 -3.540 935 2HG GLU 127 1HG GLU 127 3.117 -15.663 -4.128 936 H ILE 128 H ILE 128 -0.965 -15.499 -5.751 937 HA ILE 128 HA ILE 128 -3.247 -16.452 -4.214 938 HB ILE 128 HB ILE 128 -3.122 -14.265 -6.298 939 1HG1 ILE 128 2HG1 ILE 128 -1.676 -13.695 -4.433 940 2HG1 ILE 128 1HG1 ILE 128 -3.138 -12.714 -4.356 941 1HG2 ILE 128 1HG2 ILE 128 -5.225 -14.871 -4.224 942 2HG2 ILE 128 2HG2 ILE 128 -5.361 -15.182 -5.955 943 3HG2 ILE 128 3HG2 ILE 128 -5.240 -13.524 -5.365 944 1HD1 ILE 128 1HD1 ILE 128 -2.481 -13.506 -2.159 945 2HD1 ILE 128 2HD1 ILE 128 -2.577 -15.176 -2.721 946 3HD1 ILE 128 3HD1 ILE 128 -4.035 -14.188 -2.638 947 H LYS 129 H LYS 129 -4.335 -18.155 -4.946 948 HA LYS 129 HA LYS 129 -4.266 -18.943 -7.710 949 1HB LYS 129 2HB LYS 129 -4.447 -20.461 -5.594 950 2HB LYS 129 1HB LYS 129 -6.161 -20.090 -5.676 951 1HG LYS 129 2HG LYS 129 -4.661 -21.220 -8.004 952 2HG LYS 129 1HG LYS 129 -5.396 -22.234 -6.763 953 1HD LYS 129 2HD LYS 129 -7.573 -21.393 -7.269 954 2HD LYS 129 1HD LYS 129 -6.903 -20.160 -8.341 955 1HE LYS 129 2HE LYS 129 -7.788 -21.949 -9.664 956 2HE LYS 129 1HE LYS 129 -6.031 -21.947 -9.781 957 1HZ LYS 129 1HZ LYS 129 -7.626 -23.742 -8.034 958 2HZ LYS 129 2HZ LYS 129 -5.938 -23.761 -8.198 959 3HZ LYS 129 3HZ LYS 129 -6.924 -24.188 -9.509 960 H HIS 130 H HIS 130 -5.512 -18.104 -9.222 961 HA HIS 130 HA HIS 130 -8.171 -17.098 -8.491 962 1HB HIS 130 2HB HIS 130 -6.645 -15.197 -8.733 963 2HB HIS 130 1HB HIS 130 -6.153 -15.776 -10.320 964 HD1 HIS 130 1HD HIS 130 -7.825 -15.448 -12.274 965 HD2 HIS 130 2HD HIS 130 -9.077 -13.833 -8.658 966 HE1 HIS 130 1HE HIS 130 -9.735 -13.912 -12.847 967 HE2 HIS 130 2HE HIS 130 -10.601 -13.111 -10.617 Start of MODEL 11 1 1H MET 1 1HT MET 1 -23.735 -6.927 2.951 2 2H MET 1 2HT MET 1 -24.585 -7.299 1.529 3 3H MET 1 3HT MET 1 -25.149 -6.079 2.556 4 HA MET 1 HA MET 1 -24.108 -5.107 0.646 5 1HB MET 1 2HB MET 1 -22.591 -4.848 3.242 6 2HB MET 1 1HB MET 1 -22.272 -3.826 1.850 7 1HG MET 1 2HG MET 1 -25.025 -4.044 2.996 8 2HG MET 1 1HG MET 1 -23.828 -2.961 3.701 9 1HE MET 1 1HE MET 1 -25.664 -2.531 -0.521 10 2HE MET 1 2HE MET 1 -26.287 -3.607 0.727 11 3HE MET 1 3HE MET 1 -24.745 -3.962 -0.053 12 H SER 2 H SER 2 -21.680 -4.455 0.030 13 HA SER 2 HA SER 2 -20.663 -7.006 -0.959 14 1HB SER 2 2HB SER 2 -20.106 -4.223 -2.011 15 2HB SER 2 1HB SER 2 -19.751 -5.754 -2.814 16 HG SER 2 HG SER 2 -22.241 -5.987 -2.418 17 H ILE 3 H ILE 3 -19.300 -7.656 0.648 18 HA ILE 3 HA ILE 3 -17.641 -5.889 2.092 19 HB ILE 3 HB ILE 3 -17.305 -8.869 1.856 20 1HG1 ILE 3 2HG1 ILE 3 -19.183 -7.185 3.508 21 2HG1 ILE 3 1HG1 ILE 3 -19.580 -8.513 2.428 22 1HG2 ILE 3 1HG2 ILE 3 -16.565 -6.937 4.052 23 2HG2 ILE 3 2HG2 ILE 3 -15.443 -7.716 2.938 24 3HG2 ILE 3 3HG2 ILE 3 -16.348 -8.686 4.099 25 1HD1 ILE 3 1HD1 ILE 3 -18.138 -8.755 5.050 26 2HD1 ILE 3 2HD1 ILE 3 -18.539 -10.084 3.964 27 3HD1 ILE 3 3HD1 ILE 3 -19.825 -9.164 4.744 28 H PHE 4 H PHE 4 -17.145 -7.722 -0.838 29 HA PHE 4 HA PHE 4 -14.335 -7.551 -0.911 30 1HB PHE 4 2HB PHE 4 -14.647 -7.741 -3.436 31 2HB PHE 4 1HB PHE 4 -15.280 -9.050 -2.451 32 HD1 PHE 4 1HD PHE 4 -16.248 -6.013 -4.341 33 HD2 PHE 4 2HD PHE 4 -17.530 -9.653 -2.551 34 HE1 PHE 4 1HE PHE 4 -18.432 -5.783 -5.449 35 HE2 PHE 4 2HE PHE 4 -19.720 -9.429 -3.651 36 HZ PHE 4 HZ PHE 4 -20.173 -7.492 -5.103 37 H GLY 5 H GLY 5 -16.801 -5.195 -1.529 38 1HA GLY 5 2HA GLY 5 -14.883 -3.316 -2.683 39 2HA GLY 5 1HA GLY 5 -16.608 -3.040 -2.461 40 H LYS 6 H LYS 6 -15.784 -4.326 0.335 41 HA LYS 6 HA LYS 6 -15.466 -1.729 1.629 42 1HB LYS 6 2HB LYS 6 -16.219 -4.456 2.696 43 2HB LYS 6 1HB LYS 6 -16.021 -3.031 3.708 44 1HG LYS 6 2HG LYS 6 -17.932 -2.035 2.921 45 2HG LYS 6 1HG LYS 6 -17.884 -2.902 1.387 46 1HD LYS 6 2HD LYS 6 -19.722 -3.709 2.750 47 2HD LYS 6 1HD LYS 6 -18.507 -4.969 2.552 48 1HE LYS 6 2HE LYS 6 -19.305 -4.920 4.830 49 2HE LYS 6 1HE LYS 6 -17.608 -4.453 4.763 50 1HZ LYS 6 1HZ LYS 6 -18.934 -3.061 6.265 51 2HZ LYS 6 2HZ LYS 6 -19.886 -2.555 4.961 52 3HZ LYS 6 3HZ LYS 6 -18.235 -2.155 5.013 53 H ILE 7 H ILE 7 -13.930 -4.908 1.419 54 HA ILE 7 HA ILE 7 -11.877 -4.365 3.297 55 HB ILE 7 HB ILE 7 -10.677 -6.286 2.233 56 1HG1 ILE 7 2HG1 ILE 7 -13.148 -6.464 0.494 57 2HG1 ILE 7 1HG1 ILE 7 -11.571 -5.919 -0.066 58 1HG2 ILE 7 1HG2 ILE 7 -13.564 -6.758 2.959 59 2HG2 ILE 7 2HG2 ILE 7 -12.214 -6.627 4.084 60 3HG2 ILE 7 3HG2 ILE 7 -12.290 -7.979 2.955 61 1HD1 ILE 7 1HD1 ILE 7 -11.953 -8.212 -0.695 62 2HD1 ILE 7 2HD1 ILE 7 -12.241 -8.654 0.990 63 3HD1 ILE 7 3HD1 ILE 7 -10.640 -8.116 0.477 64 H MET 8 H MET 8 -12.147 -3.877 -0.187 65 HA MET 8 HA MET 8 -9.375 -3.286 -0.529 66 1HB MET 8 2HB MET 8 -9.951 -2.642 -2.802 67 2HB MET 8 1HB MET 8 -10.715 -4.164 -2.376 68 1HG MET 8 2HG MET 8 -12.345 -3.017 -3.559 69 2HG MET 8 1HG MET 8 -12.798 -2.780 -1.875 70 1HE MET 8 1HE MET 8 -14.426 -0.831 -2.823 71 2HE MET 8 2HE MET 8 -13.803 -1.046 -4.460 72 3HE MET 8 3HE MET 8 -13.837 0.562 -3.735 73 H SER 9 H SER 9 -11.911 -1.559 0.801 74 HA SER 9 HA SER 9 -11.300 1.077 -0.009 75 1HB SER 9 2HB SER 9 -13.417 0.449 1.101 76 2HB SER 9 1HB SER 9 -12.535 0.105 2.586 77 HG SER 9 HG SER 9 -12.314 2.184 2.967 78 H ALA 10 H ALA 10 -9.893 -1.080 2.340 79 HA ALA 10 HA ALA 10 -8.216 1.060 3.419 80 1HB ALA 10 1HB ALA 10 -9.270 -0.485 5.000 81 2HB ALA 10 2HB ALA 10 -7.510 -0.577 5.074 82 3HB ALA 10 3HB ALA 10 -8.423 -1.834 4.241 83 H ILE 11 H ILE 11 -8.160 -0.797 0.786 84 HA ILE 11 HA ILE 11 -5.263 -1.317 0.877 85 HB ILE 11 HB ILE 11 -7.325 -2.434 -1.036 86 1HG1 ILE 11 2HG1 ILE 11 -5.869 -3.793 1.246 87 2HG1 ILE 11 1HG1 ILE 11 -7.550 -3.274 1.293 88 1HG2 ILE 11 1HG2 ILE 11 -4.394 -3.082 -0.677 89 2HG2 ILE 11 2HG2 ILE 11 -5.119 -2.248 -2.051 90 3HG2 ILE 11 3HG2 ILE 11 -5.505 -3.940 -1.743 91 1HD1 ILE 11 1HD1 ILE 11 -8.075 -4.822 -0.519 92 2HD1 ILE 11 2HD1 ILE 11 -7.384 -5.651 0.876 93 3HD1 ILE 11 3HD1 ILE 11 -6.392 -5.347 -0.552 94 H PHE 12 H PHE 12 -7.820 -0.247 -1.357 95 HA PHE 12 HA PHE 12 -5.846 1.187 -2.966 96 1HB PHE 12 2HB PHE 12 -8.807 0.703 -3.403 97 2HB PHE 12 1HB PHE 12 -7.760 1.572 -4.518 98 HD1 PHE 12 1HD PHE 12 -8.539 -1.718 -3.081 99 HD2 PHE 12 2HD PHE 12 -6.253 0.421 -5.963 100 HE1 PHE 12 1HE PHE 12 -7.952 -3.837 -4.182 101 HE2 PHE 12 2HE PHE 12 -5.662 -1.696 -7.070 102 HZ PHE 12 HZ PHE 12 -6.513 -3.829 -6.179 103 H GLY 13 H GLY 13 -7.131 1.891 -0.211 104 1HA GLY 13 2HA GLY 13 -7.930 4.643 -0.939 105 2HA GLY 13 1HA GLY 13 -8.575 3.771 0.447 106 H ASP 14 H ASP 14 -5.240 3.307 -0.151 107 HA ASP 14 HA ASP 14 -4.543 5.419 1.756 108 1HB ASP 14 2HB ASP 14 -4.728 3.416 3.122 109 2HB ASP 14 1HB ASP 14 -3.693 2.529 2.006 110 H SER 15 H SER 15 -2.460 6.187 1.639 111 HA SER 15 HA SER 15 -0.550 4.997 -0.176 112 1HB SER 15 2HB SER 15 -1.899 6.497 -1.640 113 2HB SER 15 1HB SER 15 -1.500 7.853 -0.587 114 HG SER 15 HG SER 15 0.790 7.123 -1.087 115 H ALA 16 H ALA 16 -1.101 5.856 2.753 116 HA ALA 16 HA ALA 16 1.432 7.278 3.144 117 1HB ALA 16 1HB ALA 16 0.422 8.882 4.661 118 2HB ALA 16 2HB ALA 16 -1.167 8.178 4.365 119 3HB ALA 16 3HB ALA 16 -0.305 8.993 3.059 120 H ALA 17 H ALA 17 -1.124 5.265 4.490 121 HA ALA 17 HA ALA 17 0.051 5.187 7.118 122 1HB ALA 17 1HB ALA 17 -2.365 4.984 6.821 123 2HB ALA 17 2HB ALA 17 -1.700 3.569 7.639 124 3HB ALA 17 3HB ALA 17 -2.132 3.477 5.932 125 H ALA 18 H ALA 18 2.178 4.506 6.608 126 HA ALA 18 HA ALA 18 3.877 3.000 6.511 127 1HB ALA 18 1HB ALA 18 2.646 1.892 8.322 128 2HB ALA 18 2HB ALA 18 3.474 0.731 7.284 129 3HB ALA 18 3HB ALA 18 1.735 0.968 7.126 130 H SER 19 H SER 19 2.385 3.699 4.130 131 HA SER 19 HA SER 19 1.983 1.550 2.393 132 1HB SER 19 2HB SER 19 2.426 3.374 0.621 133 2HB SER 19 1HB SER 19 1.090 3.627 1.745 134 HG SER 19 HG SER 19 2.337 5.503 1.585 135 HA PRO 20 HA PRO 20 5.951 -0.025 1.426 136 1HB PRO 20 2HB PRO 20 5.732 -0.430 -1.286 137 2HB PRO 20 1HB PRO 20 5.070 -1.512 -0.056 138 1HG PRO 20 2HG PRO 20 3.697 0.620 -1.641 139 2HG PRO 20 1HG PRO 20 3.120 -0.998 -1.201 140 1HD PRO 20 2HD PRO 20 2.289 1.193 0.111 141 2HD PRO 20 1HD PRO 20 2.554 -0.351 0.950 142 H GLY 21 H GLY 21 7.391 1.614 1.767 143 1HA GLY 21 2HA GLY 21 8.581 2.756 -0.591 144 2HA GLY 21 1HA GLY 21 7.805 3.951 0.441 145 H GLY 22 H GLY 22 10.708 3.052 -0.283 146 1HA GLY 22 2HA GLY 22 11.795 2.472 2.343 147 2HA GLY 22 1HA GLY 22 12.706 2.642 0.849 148 H ALA 23 H ALA 23 11.157 4.368 3.480 149 HA ALA 23 HA ALA 23 13.040 6.563 3.085 150 1HB ALA 23 1HB ALA 23 10.063 7.001 3.311 151 2HB ALA 23 2HB ALA 23 11.042 7.251 1.864 152 3HB ALA 23 3HB ALA 23 11.296 8.264 3.286 153 H GLN 24 H GLN 24 14.063 6.694 4.958 154 HA GLN 24 HA GLN 24 12.647 6.136 7.451 155 1HB GLN 24 2HB GLN 24 15.563 6.589 6.806 156 2HB GLN 24 1HB GLN 24 14.960 6.460 8.452 157 1HG GLN 24 2HG GLN 24 14.631 4.330 6.352 158 2HG GLN 24 1HG GLN 24 15.915 4.358 7.561 159 1HE2 GLN 24 1HE2 GLN 24 15.433 3.913 9.693 160 2HE2 GLN 24 2HE2 GLN 24 13.933 3.205 10.185 161 H ALA 25 H ALA 25 11.833 7.695 8.659 162 HA ALA 25 HA ALA 25 12.310 10.462 7.921 163 1HB ALA 25 1HB ALA 25 10.478 10.969 9.458 164 2HB ALA 25 2HB ALA 25 10.434 9.282 9.968 165 3HB ALA 25 3HB ALA 25 10.021 9.714 8.309 166 HA PRO 26 HA PRO 26 15.395 10.776 11.162 167 1HB PRO 26 2HB PRO 26 16.053 13.369 10.669 168 2HB PRO 26 1HB PRO 26 16.664 12.017 9.710 169 1HG PRO 26 2HG PRO 26 14.449 13.924 9.104 170 2HG PRO 26 1HG PRO 26 15.674 13.244 8.017 171 1HD PRO 26 2HD PRO 26 13.107 12.338 8.152 172 2HD PRO 26 1HD PRO 26 14.480 11.316 7.683 173 H ALA 27 H ALA 27 14.770 10.980 13.202 174 HA ALA 27 HA ALA 27 12.645 12.792 13.937 175 1HB ALA 27 1HB ALA 27 12.840 11.789 16.164 176 2HB ALA 27 2HB ALA 27 14.259 10.888 15.632 177 3HB ALA 27 3HB ALA 27 12.686 10.561 14.906 178 H THR 28 H THR 28 13.707 14.783 13.467 179 HA THR 28 HA THR 28 16.054 15.630 14.795 180 HB THR 28 HB THR 28 13.799 17.392 13.805 181 HG1 THR 28 1HG THR 28 14.325 16.508 11.935 182 1HG2 THR 28 1HG2 THR 28 16.754 17.910 14.175 183 2HG2 THR 28 2HG2 THR 28 15.452 18.563 15.168 184 3HG2 THR 28 3HG2 THR 28 15.596 19.043 13.477 185 H THR 29 H THR 29 16.237 15.725 16.936 186 HA THR 29 HA THR 29 13.962 16.691 18.518 187 HB THR 29 HB THR 29 15.693 14.346 19.316 188 HG1 THR 29 1HG THR 29 14.432 13.724 17.542 189 1HG2 THR 29 1HG2 THR 29 13.085 15.405 20.411 190 2HG2 THR 29 2HG2 THR 29 14.666 15.552 21.178 191 3HG2 THR 29 3HG2 THR 29 13.930 13.961 20.981 192 H GLY 30 H GLY 30 14.488 18.067 20.146 193 1HA GLY 30 2HA GLY 30 16.276 18.320 21.971 194 2HA GLY 30 1HA GLY 30 17.353 18.572 20.604 195 H ALA 31 H ALA 31 17.843 20.644 21.462 196 HA ALA 31 HA ALA 31 15.702 22.629 21.156 197 1HB ALA 31 1HB ALA 31 18.384 22.859 22.522 198 2HB ALA 31 2HB ALA 31 16.815 22.690 23.314 199 3HB ALA 31 3HB ALA 31 17.187 24.149 22.396 200 H ALA 32 H ALA 32 15.643 23.705 19.329 201 HA ALA 32 HA ALA 32 16.183 24.652 17.345 202 1HB ALA 32 1HB ALA 32 18.982 24.832 18.458 203 2HB ALA 32 2HB ALA 32 17.706 26.024 18.694 204 3HB ALA 32 3HB ALA 32 18.344 25.727 17.078 205 H GLY 33 H GLY 33 15.835 23.083 15.877 206 1HA GLY 33 2HA GLY 33 18.134 21.369 15.198 207 2HA GLY 33 1HA GLY 33 16.513 20.696 15.337 208 H THR 34 H THR 34 18.250 20.697 13.011 209 HA THR 34 HA THR 34 16.848 22.575 11.240 210 HB THR 34 HB THR 34 19.246 20.911 10.497 211 HG1 THR 34 1HG THR 34 19.212 22.718 12.384 212 1HG2 THR 34 1HG2 THR 34 17.998 21.967 8.672 213 2HG2 THR 34 2HG2 THR 34 19.585 22.709 8.864 214 3HG2 THR 34 3HG2 THR 34 18.148 23.528 9.473 215 H ALA 35 H ALA 35 14.952 21.564 10.778 216 HA ALA 35 HA ALA 35 15.096 18.871 9.608 217 1HB ALA 35 1HB ALA 35 13.640 19.053 11.565 218 2HB ALA 35 2HB ALA 35 12.714 18.680 10.108 219 3HB ALA 35 3HB ALA 35 12.714 20.323 10.760 220 HA PRO 36 HA PRO 36 14.226 21.136 5.837 221 1HB PRO 36 2HB PRO 36 14.735 19.126 4.129 222 2HB PRO 36 1HB PRO 36 16.027 19.986 4.967 223 1HG PRO 36 2HG PRO 36 14.842 17.312 5.544 224 2HG PRO 36 1HG PRO 36 16.529 17.839 5.661 225 1HD PRO 36 2HD PRO 36 14.781 17.607 7.796 226 2HD PRO 36 1HD PRO 36 16.252 18.599 7.793 227 H THR 37 H THR 37 12.675 21.063 4.147 228 HA THR 37 HA THR 37 10.571 19.039 4.479 229 HB THR 37 HB THR 37 9.640 21.123 5.205 230 HG1 THR 37 1HG THR 37 8.031 21.450 3.473 231 1HG2 THR 37 1HG2 THR 37 9.567 23.123 3.765 232 2HG2 THR 37 2HG2 THR 37 10.611 22.302 2.601 233 3HG2 THR 37 3HG2 THR 37 11.214 22.679 4.217 234 H ALA 38 H ALA 38 10.847 17.641 2.901 235 HA ALA 38 HA ALA 38 11.880 18.490 0.319 236 1HB ALA 38 1HB ALA 38 12.101 16.108 -0.152 237 2HB ALA 38 2HB ALA 38 11.275 15.721 1.357 238 3HB ALA 38 3HB ALA 38 12.848 16.517 1.390 239 HA PRO 39 HA PRO 39 7.907 18.172 -1.687 240 1HB PRO 39 2HB PRO 39 9.178 17.653 -4.223 241 2HB PRO 39 1HB PRO 39 8.455 19.155 -3.649 242 1HG PRO 39 2HG PRO 39 11.137 18.815 -4.083 243 2HG PRO 39 1HG PRO 39 10.462 19.994 -2.944 244 1HD PRO 39 2HD PRO 39 11.618 17.282 -2.413 245 2HD PRO 39 1HD PRO 39 11.813 18.790 -1.491 246 H GLN 40 H GLN 40 6.705 16.409 -1.408 247 HA GLN 40 HA GLN 40 7.726 13.788 -2.201 248 1HB GLN 40 2HB GLN 40 5.470 14.704 -0.462 249 2HB GLN 40 1HB GLN 40 5.414 13.096 -1.163 250 1HG GLN 40 2HG GLN 40 6.293 12.984 1.069 251 2HG GLN 40 1HG GLN 40 7.558 12.573 -0.087 252 1HE2 GLN 40 1HE2 GLN 40 6.403 14.966 2.171 253 2HE2 GLN 40 2HE2 GLN 40 7.885 15.849 2.291 254 HA PRO 41 HA PRO 41 5.088 14.150 -5.852 255 1HB PRO 41 2HB PRO 41 6.658 12.037 -7.000 256 2HB PRO 41 1HB PRO 41 6.637 13.743 -7.449 257 1HG PRO 41 2HG PRO 41 8.781 12.465 -6.285 258 2HG PRO 41 1HG PRO 41 8.492 14.212 -6.209 259 1HD PRO 41 2HD PRO 41 7.931 12.101 -4.162 260 2HD PRO 41 1HD PRO 41 8.539 13.758 -3.939 261 H THR 42 H THR 42 3.229 13.234 -5.068 262 HA THR 42 HA THR 42 3.100 10.512 -4.191 263 HB THR 42 HB THR 42 0.751 12.293 -4.844 264 HG1 THR 42 1HG THR 42 0.967 12.789 -2.492 265 1HG2 THR 42 1HG2 THR 42 1.114 10.053 -2.844 266 2HG2 THR 42 2HG2 THR 42 0.246 9.930 -4.376 267 3HG2 THR 42 3HG2 THR 42 -0.362 10.984 -3.097 268 H ALA 43 H ALA 43 3.598 9.115 -5.808 269 HA ALA 43 HA ALA 43 1.715 9.003 -8.058 270 1HB ALA 43 1HB ALA 43 4.702 8.623 -8.280 271 2HB ALA 43 2HB ALA 43 3.785 10.001 -8.891 272 3HB ALA 43 3HB ALA 43 3.528 8.397 -9.577 273 H ALA 44 H ALA 44 1.189 6.964 -8.768 274 HA ALA 44 HA ALA 44 2.452 4.601 -7.777 275 1HB ALA 44 1HB ALA 44 0.612 3.757 -6.419 276 2HB ALA 44 2HB ALA 44 -0.278 5.262 -6.658 277 3HB ALA 44 3HB ALA 44 1.231 5.266 -5.747 278 HA PRO 45 HA PRO 45 0.168 4.114 -11.687 279 1HB PRO 45 2HB PRO 45 1.991 2.558 -12.900 280 2HB PRO 45 1HB PRO 45 2.190 4.306 -12.778 281 1HG PRO 45 2HG PRO 45 3.428 2.139 -11.122 282 2HG PRO 45 1HG PRO 45 4.177 3.601 -11.787 283 1HD PRO 45 2HD PRO 45 3.339 3.386 -9.201 284 2HD PRO 45 1HD PRO 45 3.400 4.925 -10.085 285 H SER 46 H SER 46 1.349 1.851 -9.383 286 HA SER 46 HA SER 46 -0.738 -0.038 -10.122 287 1HB SER 46 2HB SER 46 1.365 -0.788 -11.273 288 2HB SER 46 1HB SER 46 2.132 -0.920 -9.690 289 HG SER 46 HG SER 46 0.684 -2.733 -10.929 290 H ILE 47 H ILE 47 -1.406 -1.348 -8.370 291 HA ILE 47 HA ILE 47 -0.591 -0.262 -5.757 292 HB ILE 47 HB ILE 47 -3.173 -1.589 -6.593 293 1HG1 ILE 47 2HG1 ILE 47 -2.973 0.694 -7.426 294 2HG1 ILE 47 1HG1 ILE 47 -4.191 0.609 -6.158 295 1HG2 ILE 47 1HG2 ILE 47 -3.995 -1.035 -4.346 296 2HG2 ILE 47 2HG2 ILE 47 -2.378 -0.488 -3.903 297 3HG2 ILE 47 3HG2 ILE 47 -2.655 -2.182 -4.308 298 1HD1 ILE 47 1HD1 ILE 47 -2.846 2.603 -5.935 299 2HD1 ILE 47 2HD1 ILE 47 -1.377 1.634 -5.852 300 3HD1 ILE 47 3HD1 ILE 47 -2.577 1.526 -4.564 301 H ASP 48 H ASP 48 0.720 -1.597 -4.641 302 HA ASP 48 HA ASP 48 0.651 -4.457 -5.209 303 1HB ASP 48 2HB ASP 48 2.825 -3.160 -4.966 304 2HB ASP 48 1HB ASP 48 2.464 -3.041 -3.249 305 H VAL 49 H VAL 49 -0.664 -5.711 -4.127 306 HA VAL 49 HA VAL 49 -1.994 -4.691 -1.754 307 HB VAL 49 HB VAL 49 -2.452 -7.312 -3.189 308 1HG1 VAL 49 1HG1 VAL 49 -4.224 -5.761 -1.302 309 2HG1 VAL 49 2HG1 VAL 49 -3.381 -7.267 -0.937 310 3HG1 VAL 49 3HG1 VAL 49 -4.666 -7.248 -2.146 311 1HG2 VAL 49 1HG2 VAL 49 -2.736 -5.453 -4.730 312 2HG2 VAL 49 2HG2 VAL 49 -3.826 -4.659 -3.592 313 3HG2 VAL 49 3HG2 VAL 49 -4.293 -6.186 -4.343 314 H ALA 50 H ALA 50 0.597 -6.767 -2.497 315 HA ALA 50 HA ALA 50 0.334 -8.761 -0.551 316 1HB ALA 50 1HB ALA 50 2.639 -9.294 -0.968 317 2HB ALA 50 2HB ALA 50 2.905 -7.720 -1.718 318 3HB ALA 50 3HB ALA 50 1.846 -8.899 -2.493 319 HA PRO 51 HA PRO 51 3.320 -6.263 2.306 320 1HB PRO 51 2HB PRO 51 3.498 -3.569 1.932 321 2HB PRO 51 1HB PRO 51 4.609 -4.729 1.196 322 1HG PRO 51 2HG PRO 51 2.231 -3.363 0.007 323 2HG PRO 51 1HG PRO 51 3.820 -3.675 -0.712 324 1HD PRO 51 2HD PRO 51 1.650 -5.186 -1.268 325 2HD PRO 51 1HD PRO 51 3.293 -5.859 -1.234 326 H ILE 52 H ILE 52 0.241 -5.240 1.249 327 HA ILE 52 HA ILE 52 -0.348 -3.776 3.683 328 HB ILE 52 HB ILE 52 -2.162 -4.555 1.392 329 1HG1 ILE 52 2HG1 ILE 52 -0.828 -1.934 2.109 330 2HG1 ILE 52 1HG1 ILE 52 -0.429 -2.958 0.736 331 1HG2 ILE 52 1HG2 ILE 52 -3.446 -4.296 3.431 332 2HG2 ILE 52 2HG2 ILE 52 -3.736 -2.925 2.364 333 3HG2 ILE 52 3HG2 ILE 52 -2.668 -2.746 3.754 334 1HD1 ILE 52 1HD1 ILE 52 -2.992 -1.440 1.171 335 2HD1 ILE 52 2HD1 ILE 52 -2.695 -2.552 -0.165 336 3HD1 ILE 52 3HD1 ILE 52 -1.728 -1.086 -0.009 337 H LEU 53 H LEU 53 -1.485 -6.790 2.117 338 HA LEU 53 HA LEU 53 -3.084 -7.446 4.420 339 1HB LEU 53 2HB LEU 53 -2.654 -8.598 1.732 340 2HB LEU 53 1HB LEU 53 -3.133 -9.723 2.989 341 HG LEU 53 HG LEU 53 -5.131 -8.359 3.442 342 1HD1 LEU 53 1HD1 LEU 53 -4.217 -6.723 1.084 343 2HD1 LEU 53 2HD1 LEU 53 -4.278 -6.190 2.764 344 3HD1 LEU 53 3HD1 LEU 53 -5.770 -6.578 1.909 345 1HD2 LEU 53 1HD2 LEU 53 -5.284 -10.217 1.898 346 2HD2 LEU 53 2HD2 LEU 53 -4.790 -9.178 0.562 347 3HD2 LEU 53 3HD2 LEU 53 -6.329 -8.899 1.374 348 H ASP 54 H ASP 54 0.027 -8.455 3.131 349 HA ASP 54 HA ASP 54 0.293 -10.803 4.674 350 1HB ASP 54 2HB ASP 54 1.686 -10.300 2.692 351 2HB ASP 54 1HB ASP 54 2.492 -9.028 3.605 352 H LYS 55 H LYS 55 0.972 -7.441 5.363 353 HA LYS 55 HA LYS 55 2.274 -8.144 7.865 354 1HB LYS 55 2HB LYS 55 1.601 -5.350 6.969 355 2HB LYS 55 1HB LYS 55 2.854 -5.865 8.088 356 1HG LYS 55 2HG LYS 55 2.806 -6.171 5.099 357 2HG LYS 55 1HG LYS 55 3.926 -5.225 6.078 358 1HD LYS 55 2HD LYS 55 4.977 -7.183 6.921 359 2HD LYS 55 1HD LYS 55 3.705 -8.224 6.274 360 1HE LYS 55 2HE LYS 55 4.372 -7.451 3.983 361 2HE LYS 55 1HE LYS 55 5.759 -6.655 4.724 362 1HZ LYS 55 1HZ LYS 55 5.169 -9.567 4.851 363 2HZ LYS 55 2HZ LYS 55 6.528 -8.802 5.524 364 3HZ LYS 55 3HZ LYS 55 6.323 -8.838 3.840 365 H ALA 56 H ALA 56 -0.780 -6.947 6.664 366 HA ALA 56 HA ALA 56 -1.943 -6.122 9.086 367 1HB ALA 56 1HB ALA 56 -4.093 -6.448 7.983 368 2HB ALA 56 2HB ALA 56 -3.310 -7.367 6.700 369 3HB ALA 56 3HB ALA 56 -2.953 -5.651 6.900 370 H VAL 57 H VAL 57 -1.542 -9.278 7.619 371 HA VAL 57 HA VAL 57 -3.093 -10.916 9.175 372 HB VAL 57 HB VAL 57 -0.315 -11.320 8.077 373 1HG1 VAL 57 1HG1 VAL 57 -0.649 -13.757 8.538 374 2HG1 VAL 57 2HG1 VAL 57 -2.000 -13.317 9.585 375 3HG1 VAL 57 3HG1 VAL 57 -0.368 -12.771 9.971 376 1HG2 VAL 57 1HG2 VAL 57 -1.475 -12.787 6.502 377 2HG2 VAL 57 2HG2 VAL 57 -2.140 -11.154 6.471 378 3HG2 VAL 57 3HG2 VAL 57 -3.008 -12.444 7.305 379 H LYS 58 H LYS 58 0.215 -9.844 9.956 380 HA LYS 58 HA LYS 58 0.092 -11.148 12.524 381 1HB LYS 58 2HB LYS 58 2.386 -10.397 12.799 382 2HB LYS 58 1HB LYS 58 2.174 -11.098 11.201 383 1HG LYS 58 2HG LYS 58 1.681 -8.450 10.737 384 2HG LYS 58 1HG LYS 58 2.933 -8.391 11.980 385 1HD LYS 58 2HD LYS 58 3.072 -9.847 9.339 386 2HD LYS 58 1HD LYS 58 3.954 -8.387 9.782 387 1HE LYS 58 2HE LYS 58 5.191 -9.608 11.470 388 2HE LYS 58 1HE LYS 58 4.250 -11.062 11.143 389 1HZ LYS 58 1HZ LYS 58 5.136 -10.974 8.834 390 2HZ LYS 58 2HZ LYS 58 6.318 -11.258 10.021 391 3HZ LYS 58 3HZ LYS 58 6.174 -9.721 9.322 392 H ALA 59 H ALA 59 -0.764 -8.108 11.292 393 HA ALA 59 HA ALA 59 -0.492 -6.709 13.816 394 1HB ALA 59 1HB ALA 59 -0.174 -5.511 11.689 395 2HB ALA 59 2HB ALA 59 -1.476 -4.817 12.655 396 3HB ALA 59 3HB ALA 59 -1.855 -5.839 11.267 397 H LYS 60 H LYS 60 -2.872 -8.515 12.063 398 HA LYS 60 HA LYS 60 -5.144 -7.652 13.541 399 1HB LYS 60 2HB LYS 60 -5.183 -8.832 11.300 400 2HB LYS 60 1HB LYS 60 -4.782 -10.315 12.153 401 1HG LYS 60 2HG LYS 60 -7.156 -10.212 11.721 402 2HG LYS 60 1HG LYS 60 -6.855 -10.110 13.456 403 1HD LYS 60 2HD LYS 60 -7.164 -7.704 13.398 404 2HD LYS 60 1HD LYS 60 -7.367 -7.751 11.645 405 1HE LYS 60 2HE LYS 60 -9.387 -9.086 11.900 406 2HE LYS 60 1HE LYS 60 -9.173 -9.104 13.649 407 1HZ LYS 60 1HZ LYS 60 -9.604 -6.810 13.783 408 2HZ LYS 60 2HZ LYS 60 -10.803 -7.428 12.749 409 3HZ LYS 60 3HZ LYS 60 -9.475 -6.591 12.107 410 H GLY 61 H GLY 61 -3.108 -10.587 13.725 411 1HA GLY 61 2HA GLY 61 -2.415 -10.604 16.283 412 2HA GLY 61 1HA GLY 61 -4.104 -11.046 16.433 413 H GLU 62 H GLU 62 -4.378 -12.748 14.243 414 HA GLU 62 HA GLU 62 -2.997 -15.045 15.410 415 1HB GLU 62 2HB GLU 62 -4.748 -16.382 14.257 416 2HB GLU 62 1HB GLU 62 -5.395 -15.218 15.405 417 1HG GLU 62 2HG GLU 62 -5.966 -13.714 13.592 418 2HG GLU 62 1HG GLU 62 -5.268 -14.834 12.424 419 H LYS 63 H LYS 63 -2.499 -16.884 13.858 420 HA LYS 63 HA LYS 63 -0.835 -15.859 11.732 421 1HB LYS 63 2HB LYS 63 -0.624 -18.041 13.334 422 2HB LYS 63 1HB LYS 63 -1.337 -18.775 11.908 423 1HG LYS 63 2HG LYS 63 1.228 -17.198 12.002 424 2HG LYS 63 1HG LYS 63 1.083 -18.946 11.861 425 1HD LYS 63 2HD LYS 63 0.018 -16.971 9.843 426 2HD LYS 63 1HD LYS 63 1.569 -17.796 9.707 427 1HE LYS 63 2HE LYS 63 0.410 -19.959 9.675 428 2HE LYS 63 1HE LYS 63 -1.139 -19.128 9.819 429 1HZ LYS 63 1HZ LYS 63 -0.712 -19.717 7.529 430 2HZ LYS 63 2HZ LYS 63 0.769 -18.893 7.547 431 3HZ LYS 63 3HZ LYS 63 -0.683 -18.030 7.697 432 H LEU 64 H LEU 64 -1.681 -15.318 9.860 433 HA LEU 64 HA LEU 64 -3.981 -16.837 8.829 434 1HB LEU 64 2HB LEU 64 -3.292 -13.920 8.462 435 2HB LEU 64 1HB LEU 64 -4.628 -14.740 7.681 436 HG LEU 64 HG LEU 64 -4.342 -14.375 10.662 437 1HD1 LEU 64 1HD1 LEU 64 -6.130 -12.960 8.694 438 2HD1 LEU 64 2HD1 LEU 64 -4.717 -12.259 9.480 439 3HD1 LEU 64 3HD1 LEU 64 -6.117 -12.734 10.442 440 1HD2 LEU 64 1HD2 LEU 64 -5.587 -16.377 10.062 441 2HD2 LEU 64 2HD2 LEU 64 -6.600 -15.436 8.969 442 3HD2 LEU 64 3HD2 LEU 64 -6.671 -15.144 10.706 443 H GLU 65 H GLU 65 -4.171 -16.672 6.389 444 HA GLU 65 HA GLU 65 -1.814 -15.898 4.947 445 1HB GLU 65 2HB GLU 65 -1.611 -18.133 3.756 446 2HB GLU 65 1HB GLU 65 -0.955 -18.035 5.379 447 1HG GLU 65 2HG GLU 65 -3.179 -19.052 6.139 448 2HG GLU 65 1HG GLU 65 -3.417 -19.447 4.435 449 H TRP 66 H TRP 66 -3.183 -14.448 4.094 450 HA TRP 66 HA TRP 66 -5.686 -14.863 2.979 451 1HB TRP 66 2HB TRP 66 -5.238 -12.695 1.784 452 2HB TRP 66 1HB TRP 66 -4.963 -12.651 3.523 453 HD1 TRP 66 HD TRP 66 -2.435 -12.376 4.364 454 HE1 TRP 66 1HE TRP 66 -0.302 -11.551 3.180 455 HE3 TRP 66 3HE TRP 66 -4.026 -12.677 -0.487 456 HZ2 TRP 66 2HZ TRP 66 0.584 -11.089 0.548 457 HZ3 TRP 66 3HZ TRP 66 -2.470 -12.025 -2.275 458 HH2 TRP 66 HH TRP 66 -0.212 -11.251 -1.767 459 H ARG 67 H ARG 67 -2.680 -15.824 1.759 460 HA ARG 67 HA ARG 67 -3.234 -15.610 -1.014 461 1HB ARG 67 2HB ARG 67 -1.344 -17.358 -1.184 462 2HB ARG 67 1HB ARG 67 -0.957 -15.757 -0.579 463 1HG ARG 67 2HG ARG 67 -1.661 -17.805 1.438 464 2HG ARG 67 1HG ARG 67 -0.123 -18.000 0.593 465 1HD ARG 67 2HD ARG 67 -1.017 -15.522 2.072 466 2HD ARG 67 1HD ARG 67 0.127 -16.718 2.677 467 HE ARG 67 HE ARG 67 1.001 -15.741 0.180 468 1HH1 ARG 67 1HH1 ARG 67 0.709 -14.714 3.517 469 2HH1 ARG 67 2HH1 ARG 67 2.053 -13.610 3.432 470 1HH2 ARG 67 1HH2 ARG 67 2.787 -14.316 0.080 471 2HH2 ARG 67 2HH2 ARG 67 3.258 -13.418 1.490 472 H THR 68 H THR 68 -4.345 -17.762 1.392 473 HA THR 68 HA THR 68 -5.354 -19.534 -0.738 474 HB THR 68 HB THR 68 -5.366 -21.373 0.961 475 HG1 THR 68 1HG THR 68 -4.044 -21.048 2.821 476 1HG2 THR 68 1HG2 THR 68 -3.586 -21.199 -0.721 477 2HG2 THR 68 2HG2 THR 68 -2.977 -21.849 0.799 478 3HG2 THR 68 3HG2 THR 68 -2.660 -20.168 0.370 479 H SER 69 H SER 69 -6.021 -18.008 2.373 480 HA SER 69 HA SER 69 -8.704 -19.166 2.413 481 1HB SER 69 2HB SER 69 -7.132 -17.712 4.556 482 2HB SER 69 1HB SER 69 -8.695 -18.492 4.788 483 HG SER 69 HG SER 69 -6.321 -19.804 3.932 484 H ILE 70 H ILE 70 -10.537 -17.956 2.264 485 HA ILE 70 HA ILE 70 -10.163 -15.201 1.403 486 HB ILE 70 HB ILE 70 -11.606 -16.671 0.063 487 1HG1 ILE 70 2HG1 ILE 70 -13.471 -15.092 -0.197 488 2HG1 ILE 70 1HG1 ILE 70 -13.089 -14.382 1.369 489 1HG2 ILE 70 1HG2 ILE 70 -13.395 -16.694 2.487 490 2HG2 ILE 70 2HG2 ILE 70 -12.560 -18.074 1.775 491 3HG2 ILE 70 3HG2 ILE 70 -13.854 -17.271 0.885 492 1HD1 ILE 70 1HD1 ILE 70 -11.337 -14.347 -1.074 493 2HD1 ILE 70 2HD1 ILE 70 -10.899 -13.692 0.506 494 3HD1 ILE 70 3HD1 ILE 70 -12.239 -12.989 -0.403 495 H VAL 71 H VAL 71 -11.767 -16.966 4.007 496 HA VAL 71 HA VAL 71 -12.985 -14.722 5.249 497 HB VAL 71 HB VAL 71 -12.002 -17.266 6.574 498 1HG1 VAL 71 1HG1 VAL 71 -12.537 -15.506 8.173 499 2HG1 VAL 71 2HG1 VAL 71 -13.722 -16.805 8.257 500 3HG1 VAL 71 3HG1 VAL 71 -14.123 -15.299 7.433 501 1HG2 VAL 71 1HG2 VAL 71 -14.273 -18.127 6.243 502 2HG2 VAL 71 2HG2 VAL 71 -13.476 -17.789 4.707 503 3HG2 VAL 71 3HG2 VAL 71 -14.689 -16.674 5.335 504 H ASP 72 H ASP 72 -9.860 -15.976 5.055 505 HA ASP 72 HA ASP 72 -8.514 -14.992 7.271 506 1HB ASP 72 2HB ASP 72 -7.777 -16.586 5.419 507 2HB ASP 72 1HB ASP 72 -7.423 -15.149 4.470 508 H LEU 73 H LEU 73 -8.335 -13.631 3.999 509 HA LEU 73 HA LEU 73 -7.192 -11.208 4.840 510 1HB LEU 73 2HB LEU 73 -7.662 -10.439 2.520 511 2HB LEU 73 1HB LEU 73 -6.785 -11.950 2.630 512 HG LEU 73 HG LEU 73 -9.195 -12.996 2.348 513 1HD1 LEU 73 1HD1 LEU 73 -10.386 -10.863 2.415 514 2HD1 LEU 73 2HD1 LEU 73 -10.613 -11.685 0.873 515 3HD1 LEU 73 3HD1 LEU 73 -9.498 -10.323 0.991 516 1HD2 LEU 73 1HD2 LEU 73 -7.607 -11.796 0.083 517 2HD2 LEU 73 2HD2 LEU 73 -8.809 -13.079 -0.071 518 3HD2 LEU 73 3HD2 LEU 73 -7.327 -13.365 0.844 519 H MET 74 H MET 74 -10.502 -12.195 4.530 520 HA MET 74 HA MET 74 -11.732 -9.687 4.331 521 1HB MET 74 2HB MET 74 -12.967 -11.755 3.987 522 2HB MET 74 1HB MET 74 -12.709 -12.222 5.662 523 1HG MET 74 2HG MET 74 -14.078 -10.392 6.427 524 2HG MET 74 1HG MET 74 -14.272 -9.806 4.776 525 1HE MET 74 1HE MET 74 -15.086 -12.739 7.290 526 2HE MET 74 2HE MET 74 -14.259 -13.544 5.952 527 3HE MET 74 3HE MET 74 -15.974 -13.842 6.236 528 H LYS 75 H LYS 75 -11.161 -11.648 7.275 529 HA LYS 75 HA LYS 75 -11.938 -9.503 8.986 530 1HB LYS 75 2HB LYS 75 -11.061 -10.928 10.820 531 2HB LYS 75 1HB LYS 75 -12.212 -11.755 9.783 532 1HG LYS 75 2HG LYS 75 -10.364 -12.869 8.628 533 2HG LYS 75 1HG LYS 75 -9.217 -12.045 9.687 534 1HD LYS 75 2HD LYS 75 -10.132 -13.166 11.621 535 2HD LYS 75 1HD LYS 75 -11.399 -13.900 10.636 536 1HE LYS 75 2HE LYS 75 -9.717 -15.138 9.378 537 2HE LYS 75 1HE LYS 75 -8.439 -14.373 10.321 538 1HZ LYS 75 1HZ LYS 75 -10.562 -16.118 11.454 539 2HZ LYS 75 2HZ LYS 75 -9.242 -15.450 12.295 540 3HZ LYS 75 3HZ LYS 75 -8.982 -16.618 11.092 541 H ALA 76 H ALA 76 -8.928 -10.595 7.607 542 HA ALA 76 HA ALA 76 -7.035 -9.479 9.264 543 1HB ALA 76 1HB ALA 76 -6.916 -9.537 6.251 544 2HB ALA 76 2HB ALA 76 -6.532 -10.889 7.314 545 3HB ALA 76 3HB ALA 76 -5.547 -9.428 7.359 546 H LEU 77 H LEU 77 -8.798 -7.854 6.614 547 HA LEU 77 HA LEU 77 -7.514 -5.357 6.951 548 1HB LEU 77 2HB LEU 77 -10.030 -6.244 5.613 549 2HB LEU 77 1HB LEU 77 -9.786 -4.530 5.882 550 HG LEU 77 HG LEU 77 -9.080 -5.040 3.653 551 1HD1 LEU 77 1HD1 LEU 77 -6.740 -4.351 3.703 552 2HD1 LEU 77 2HD1 LEU 77 -6.668 -4.717 5.426 553 3HD1 LEU 77 3HD1 LEU 77 -7.714 -3.421 4.844 554 1HD2 LEU 77 1HD2 LEU 77 -7.300 -7.150 4.859 555 2HD2 LEU 77 2HD2 LEU 77 -7.306 -6.661 3.165 556 3HD2 LEU 77 3HD2 LEU 77 -8.731 -7.430 3.867 557 H ASP 78 H ASP 78 -10.922 -6.077 7.752 558 HA ASP 78 HA ASP 78 -10.802 -5.305 10.442 559 1HB ASP 78 2HB ASP 78 -10.230 -3.076 9.345 560 2HB ASP 78 1HB ASP 78 -11.875 -3.062 8.721 561 H ILE 79 H ILE 79 -12.123 -7.184 8.649 562 HA ILE 79 HA ILE 79 -14.919 -6.299 8.795 563 HB ILE 79 HB ILE 79 -13.780 -8.690 7.337 564 1HG1 ILE 79 2HG1 ILE 79 -13.075 -6.573 6.337 565 2HG1 ILE 79 1HG1 ILE 79 -14.252 -7.381 5.306 566 1HG2 ILE 79 1HG2 ILE 79 -16.566 -7.526 7.360 567 2HG2 ILE 79 2HG2 ILE 79 -16.074 -9.095 7.999 568 3HG2 ILE 79 3HG2 ILE 79 -16.006 -8.789 6.263 569 1HD1 ILE 79 1HD1 ILE 79 -14.819 -5.086 7.169 570 2HD1 ILE 79 2HD1 ILE 79 -15.996 -5.887 6.126 571 3HD1 ILE 79 3HD1 ILE 79 -14.655 -4.988 5.416 572 H ASP 80 H ASP 80 -16.473 -7.432 9.859 573 HA ASP 80 HA ASP 80 -15.768 -8.333 12.384 574 1HB ASP 80 2HB ASP 80 -18.353 -8.871 10.904 575 2HB ASP 80 1HB ASP 80 -18.127 -8.931 12.649 576 H SER 81 H SER 81 -16.187 -10.130 9.453 577 HA SER 81 HA SER 81 -16.207 -12.310 8.881 578 1HB SER 81 2HB SER 81 -14.567 -13.785 10.007 579 2HB SER 81 1HB SER 81 -13.880 -12.221 9.585 580 HG SER 81 HG SER 81 -14.834 -11.979 12.022 581 H SER 82 H SER 82 -18.161 -11.320 10.929 582 HA SER 82 HA SER 82 -18.820 -13.698 12.441 583 1HB SER 82 2HB SER 82 -19.096 -11.366 13.353 584 2HB SER 82 1HB SER 82 -20.368 -11.107 12.162 585 HG SER 82 HG SER 82 -21.315 -11.730 14.086 586 H LEU 83 H LEU 83 -21.418 -14.066 12.354 587 HA LEU 83 HA LEU 83 -21.957 -15.506 10.074 588 1HB LEU 83 2HB LEU 83 -23.196 -15.494 12.303 589 2HB LEU 83 1HB LEU 83 -24.097 -14.127 11.688 590 HG LEU 83 HG LEU 83 -25.246 -16.369 11.530 591 1HD1 LEU 83 1HD1 LEU 83 -26.152 -15.990 9.294 592 2HD1 LEU 83 2HD1 LEU 83 -24.827 -14.883 8.942 593 3HD1 LEU 83 3HD1 LEU 83 -26.001 -14.481 10.194 594 1HD2 LEU 83 1HD2 LEU 83 -23.333 -17.717 10.888 595 2HD2 LEU 83 2HD2 LEU 83 -23.194 -16.829 9.370 596 3HD2 LEU 83 3HD2 LEU 83 -24.610 -17.835 9.678 597 H SER 84 H SER 84 -23.047 -12.209 10.787 598 HA SER 84 HA SER 84 -24.543 -11.708 8.536 599 1HB SER 84 2HB SER 84 -22.743 -9.685 9.877 600 2HB SER 84 1HB SER 84 -24.266 -9.382 9.041 601 HG SER 84 HG SER 84 -24.114 -9.623 11.530 602 H ALA 85 H ALA 85 -21.057 -11.209 8.974 603 HA ALA 85 HA ALA 85 -20.611 -9.918 6.515 604 1HB ALA 85 1HB ALA 85 -19.091 -9.719 8.409 605 2HB ALA 85 2HB ALA 85 -18.243 -10.279 6.968 606 3HB ALA 85 3HB ALA 85 -18.655 -11.420 8.247 607 H ARG 86 H ARG 86 -19.704 -13.247 7.466 608 HA ARG 86 HA ARG 86 -18.847 -13.994 4.896 609 1HB ARG 86 2HB ARG 86 -19.131 -16.365 5.782 610 2HB ARG 86 1HB ARG 86 -18.054 -15.307 6.682 611 1HG ARG 86 2HG ARG 86 -19.920 -14.874 8.273 612 2HG ARG 86 1HG ARG 86 -20.863 -16.092 7.410 613 1HD ARG 86 2HD ARG 86 -19.391 -17.822 8.027 614 2HD ARG 86 1HD ARG 86 -18.145 -16.686 8.544 615 HE ARG 86 HE ARG 86 -20.339 -16.191 10.138 616 1HH1 ARG 86 1HH1 ARG 86 -18.217 -18.899 9.505 617 2HH1 ARG 86 2HH1 ARG 86 -18.358 -19.545 11.114 618 1HH2 ARG 86 1HH2 ARG 86 -20.544 -17.058 12.259 619 2HH2 ARG 86 2HH2 ARG 86 -19.708 -18.530 12.656 620 H LYS 87 H LYS 87 -22.002 -13.872 6.301 621 HA LYS 87 HA LYS 87 -23.307 -15.602 4.457 622 1HB LYS 87 2HB LYS 87 -24.227 -14.971 6.686 623 2HB LYS 87 1HB LYS 87 -24.474 -13.335 6.089 624 1HG LYS 87 2HG LYS 87 -26.561 -14.497 6.018 625 2HG LYS 87 1HG LYS 87 -26.003 -14.258 4.362 626 1HD LYS 87 2HD LYS 87 -26.874 -16.500 4.618 627 2HD LYS 87 1HD LYS 87 -25.132 -16.561 4.349 628 1HE LYS 87 2HE LYS 87 -24.767 -16.864 6.745 629 2HE LYS 87 1HE LYS 87 -26.507 -16.776 7.025 630 1HZ LYS 87 1HZ LYS 87 -25.746 -19.062 6.984 631 2HZ LYS 87 2HZ LYS 87 -25.102 -18.855 5.429 632 3HZ LYS 87 3HZ LYS 87 -26.774 -18.768 5.670 633 H GLU 88 H GLU 88 -22.969 -12.055 4.678 634 HA GLU 88 HA GLU 88 -24.570 -11.641 2.348 635 1HB GLU 88 2HB GLU 88 -24.024 -9.279 2.597 636 2HB GLU 88 1HB GLU 88 -24.529 -9.981 4.126 637 1HG GLU 88 2HG GLU 88 -22.109 -10.185 4.726 638 2HG GLU 88 1HG GLU 88 -21.742 -9.256 3.267 639 H LEU 89 H LEU 89 -21.125 -11.873 2.948 640 HA LEU 89 HA LEU 89 -20.214 -10.776 0.536 641 1HB LEU 89 2HB LEU 89 -18.730 -11.262 2.409 642 2HB LEU 89 1HB LEU 89 -19.024 -12.980 2.221 643 HG LEU 89 HG LEU 89 -17.858 -12.985 0.089 644 1HD1 LEU 89 1HD1 LEU 89 -18.497 -10.743 -0.671 645 2HD1 LEU 89 2HD1 LEU 89 -16.756 -10.998 -0.775 646 3HD1 LEU 89 3HD1 LEU 89 -17.428 -10.036 0.538 647 1HD2 LEU 89 1HD2 LEU 89 -16.309 -11.551 2.242 648 2HD2 LEU 89 2HD2 LEU 89 -15.606 -12.428 0.882 649 3HD2 LEU 89 3HD2 LEU 89 -16.533 -13.295 2.105 650 H ALA 90 H ALA 90 -21.143 -14.086 1.375 651 HA ALA 90 HA ALA 90 -20.627 -15.170 -1.196 652 1HB ALA 90 1HB ALA 90 -20.792 -16.546 0.832 653 2HB ALA 90 2HB ALA 90 -21.884 -17.098 -0.434 654 3HB ALA 90 3HB ALA 90 -22.515 -16.182 0.933 655 H LYS 91 H LYS 91 -23.446 -13.711 0.324 656 HA LYS 91 HA LYS 91 -25.391 -14.350 -1.588 657 1HB LYS 91 2HB LYS 91 -25.104 -12.101 0.389 658 2HB LYS 91 1HB LYS 91 -26.483 -12.186 -0.697 659 1HG LYS 91 2HG LYS 91 -27.341 -14.071 0.319 660 2HG LYS 91 1HG LYS 91 -25.777 -14.554 0.974 661 1HD LYS 91 2HD LYS 91 -27.414 -13.690 2.669 662 2HD LYS 91 1HD LYS 91 -25.859 -12.859 2.643 663 1HE LYS 91 2HE LYS 91 -26.854 -11.056 1.314 664 2HE LYS 91 1HE LYS 91 -28.406 -11.889 1.352 665 1HZ LYS 91 1HZ LYS 91 -28.476 -11.640 3.729 666 2HZ LYS 91 2HZ LYS 91 -28.241 -10.118 3.015 667 3HZ LYS 91 3HZ LYS 91 -26.942 -10.921 3.749 668 H GLU 92 H GLU 92 -23.131 -11.633 -1.434 669 HA GLU 92 HA GLU 92 -24.197 -10.156 -3.581 670 1HB GLU 92 2HB GLU 92 -21.313 -10.273 -2.690 671 2HB GLU 92 1HB GLU 92 -22.070 -8.986 -3.616 672 1HG GLU 92 2HG GLU 92 -22.765 -9.748 -0.792 673 2HG GLU 92 1HG GLU 92 -21.743 -8.396 -1.268 674 H LEU 93 H LEU 93 -21.959 -12.837 -3.429 675 HA LEU 93 HA LEU 93 -21.258 -12.627 -6.225 676 1HB LEU 93 2HB LEU 93 -20.653 -14.774 -4.195 677 2HB LEU 93 1HB LEU 93 -19.976 -14.691 -5.811 678 HG LEU 93 HG LEU 93 -19.544 -12.649 -3.628 679 1HD1 LEU 93 1HD1 LEU 93 -17.236 -13.498 -3.653 680 2HD1 LEU 93 2HD1 LEU 93 -17.741 -14.773 -4.762 681 3HD1 LEU 93 3HD1 LEU 93 -18.405 -14.709 -3.133 682 1HD2 LEU 93 1HD2 LEU 93 -18.341 -12.861 -6.389 683 2HD2 LEU 93 2HD2 LEU 93 -17.887 -11.690 -5.149 684 3HD2 LEU 93 3HD2 LEU 93 -19.503 -11.648 -5.854 685 H GLY 94 H GLY 94 -23.443 -14.555 -4.242 686 1HA GLY 94 2HA GLY 94 -25.355 -15.081 -6.050 687 2HA GLY 94 1HA GLY 94 -24.134 -16.265 -6.489 688 H TYR 95 H TYR 95 -23.262 -16.589 -3.689 689 HA TYR 95 HA TYR 95 -23.686 -17.842 -1.844 690 1HB TYR 95 2HB TYR 95 -25.559 -16.135 -1.620 691 2HB TYR 95 1HB TYR 95 -26.625 -17.330 -2.341 692 HD1 TYR 95 1HD TYR 95 -24.151 -17.100 0.465 693 HD2 TYR 95 2HD TYR 95 -27.900 -18.595 -0.891 694 HE1 TYR 95 1HE TYR 95 -24.588 -18.022 2.704 695 HE2 TYR 95 2HE TYR 95 -28.341 -19.527 1.342 696 HH TYR 95 HH TYR 95 -27.162 -20.213 3.336 697 H SER 96 H SER 96 -24.029 -18.838 -4.759 698 HA SER 96 HA SER 96 -25.647 -21.212 -4.328 699 1HB SER 96 2HB SER 96 -25.711 -19.848 -6.478 700 2HB SER 96 1HB SER 96 -24.106 -20.485 -6.825 701 HG SER 96 HG SER 96 -25.047 -22.213 -7.530 702 H GLY 97 H GLY 97 -24.495 -22.459 -2.915 703 1HA GLY 97 2HA GLY 97 -22.209 -23.854 -4.065 704 2HA GLY 97 1HA GLY 97 -21.933 -23.032 -2.533 705 H ASP 98 H ASP 98 -22.207 -25.960 -3.530 706 HA ASP 98 HA ASP 98 -23.567 -26.935 -1.179 707 1HB ASP 98 2HB ASP 98 -25.495 -26.622 -2.619 708 2HB ASP 98 1HB ASP 98 -24.701 -27.491 -3.928 709 H MET 99 H MET 99 -22.806 -28.238 -4.404 710 HA MET 99 HA MET 99 -21.901 -30.718 -3.385 711 1HB MET 99 2HB MET 99 -21.254 -31.208 -5.686 712 2HB MET 99 1HB MET 99 -22.849 -30.470 -5.634 713 1HG MET 99 2HG MET 99 -21.840 -28.309 -6.241 714 2HG MET 99 1HG MET 99 -20.269 -29.101 -6.364 715 1HE MET 99 1HE MET 99 -20.969 -31.638 -9.303 716 2HE MET 99 2HE MET 99 -21.217 -31.929 -7.582 717 3HE MET 99 3HE MET 99 -19.774 -31.082 -8.137 718 H ASN 100 H ASN 100 -20.396 -27.758 -3.409 719 HA ASN 100 HA ASN 100 -17.693 -28.735 -3.807 720 1HB ASN 100 2HB ASN 100 -17.095 -26.337 -3.285 721 2HB ASN 100 1HB ASN 100 -18.116 -26.567 -4.701 722 1HD2 ASN 100 1HD2 ASN 100 -17.969 -25.379 -1.430 723 2HD2 ASN 100 2HD2 ASN 100 -19.464 -24.508 -1.478 724 H ASP 101 H ASP 101 -19.868 -28.662 -1.264 725 HA ASP 101 HA ASP 101 -19.670 -29.049 0.972 726 1HB ASP 101 2HB ASP 101 -18.199 -30.870 0.231 727 2HB ASP 101 1HB ASP 101 -16.827 -29.773 0.201 728 H SER 102 H SER 102 -18.208 -28.345 2.994 729 HA SER 102 HA SER 102 -17.909 -25.531 2.904 730 1HB SER 102 2HB SER 102 -16.771 -27.478 4.932 731 2HB SER 102 1HB SER 102 -17.011 -25.745 5.164 732 HG SER 102 HG SER 102 -18.750 -27.733 5.561 733 H ALA 103 H ALA 103 -15.839 -28.179 2.184 734 HA ALA 103 HA ALA 103 -13.292 -27.078 2.512 735 1HB ALA 103 1HB ALA 103 -12.544 -28.789 0.969 736 2HB ALA 103 2HB ALA 103 -14.196 -29.025 0.390 737 3HB ALA 103 3HB ALA 103 -13.768 -29.457 2.051 738 H SER 104 H SER 104 -14.991 -27.448 -0.615 739 HA SER 104 HA SER 104 -13.162 -25.630 -1.868 740 1HB SER 104 2HB SER 104 -15.685 -26.905 -2.951 741 2HB SER 104 1HB SER 104 -14.470 -26.058 -3.907 742 HG SER 104 HG SER 104 -14.204 -28.501 -2.486 743 H MET 105 H MET 105 -15.820 -25.138 0.039 744 HA MET 105 HA MET 105 -17.022 -22.915 -1.266 745 1HB MET 105 2HB MET 105 -18.077 -24.216 0.595 746 2HB MET 105 1HB MET 105 -16.920 -23.491 1.702 747 1HG MET 105 2HG MET 105 -18.981 -22.312 1.880 748 2HG MET 105 1HG MET 105 -17.809 -21.262 1.088 749 1HE MET 105 1HE MET 105 -19.751 -19.653 0.246 750 2HE MET 105 2HE MET 105 -20.919 -20.678 1.078 751 3HE MET 105 3HE MET 105 -21.186 -20.222 -0.605 752 H ASN 106 H ASN 106 -14.409 -23.300 1.065 753 HA ASN 106 HA ASN 106 -13.872 -20.514 1.388 754 1HB ASN 106 2HB ASN 106 -13.175 -22.154 3.067 755 2HB ASN 106 1HB ASN 106 -12.145 -22.956 1.891 756 1HD2 ASN 106 1HD2 ASN 106 -10.321 -22.701 3.110 757 2HD2 ASN 106 2HD2 ASN 106 -9.542 -21.174 3.334 758 H ILE 107 H ILE 107 -12.766 -23.039 -0.762 759 HA ILE 107 HA ILE 107 -10.596 -21.629 -1.918 760 HB ILE 107 HB ILE 107 -12.217 -23.883 -3.114 761 1HG1 ILE 107 2HG1 ILE 107 -9.669 -24.007 -1.487 762 2HG1 ILE 107 1HG1 ILE 107 -11.268 -24.413 -0.877 763 1HG2 ILE 107 1HG2 ILE 107 -9.442 -22.871 -3.741 764 2HG2 ILE 107 2HG2 ILE 107 -10.870 -22.746 -4.773 765 3HG2 ILE 107 3HG2 ILE 107 -10.175 -24.328 -4.416 766 1HD1 ILE 107 1HD1 ILE 107 -9.838 -25.822 -3.116 767 2HD1 ILE 107 2HD1 ILE 107 -11.426 -26.240 -2.466 768 3HD1 ILE 107 3HD1 ILE 107 -9.987 -26.397 -1.454 769 H TRP 108 H TRP 108 -13.888 -22.294 -3.127 770 HA TRP 108 HA TRP 108 -13.671 -20.828 -5.499 771 1HB TRP 108 2HB TRP 108 -15.498 -22.310 -5.382 772 2HB TRP 108 1HB TRP 108 -16.035 -21.670 -3.831 773 HD1 TRP 108 HD TRP 108 -15.789 -20.464 -7.519 774 HE1 TRP 108 1HE TRP 108 -17.732 -18.836 -7.950 775 HE3 TRP 108 3HE TRP 108 -17.821 -20.369 -2.825 776 HZ2 TRP 108 2HZ TRP 108 -19.857 -17.671 -6.488 777 HZ3 TRP 108 3HZ TRP 108 -19.804 -18.969 -2.429 778 HH2 TRP 108 HH TRP 108 -20.795 -17.649 -4.222 779 H LEU 109 H LEU 109 -15.093 -19.872 -2.381 780 HA LEU 109 HA LEU 109 -15.899 -17.307 -3.104 781 1HB LEU 109 2HB LEU 109 -16.444 -18.602 -0.984 782 2HB LEU 109 1HB LEU 109 -14.887 -18.086 -0.370 783 HG LEU 109 HG LEU 109 -15.661 -15.707 -0.659 784 1HD1 LEU 109 1HD1 LEU 109 -18.041 -15.304 -0.890 785 2HD1 LEU 109 2HD1 LEU 109 -18.329 -17.035 -1.079 786 3HD1 LEU 109 3HD1 LEU 109 -17.415 -16.154 -2.304 787 1HD2 LEU 109 1HD2 LEU 109 -17.035 -15.724 1.349 788 2HD2 LEU 109 2HD2 LEU 109 -15.682 -16.843 1.508 789 3HD2 LEU 109 3HD2 LEU 109 -17.299 -17.458 1.167 790 H HIS 110 H HIS 110 -12.791 -18.526 -2.042 791 HA HIS 110 HA HIS 110 -11.528 -16.081 -1.503 792 1HB HIS 110 2HB HIS 110 -10.596 -18.205 -0.760 793 2HB HIS 110 1HB HIS 110 -10.330 -18.699 -2.428 794 HD1 HIS 110 1HD HIS 110 -7.955 -18.482 -3.065 795 HD2 HIS 110 2HD HIS 110 -9.080 -15.577 -0.319 796 HE1 HIS 110 1HE HIS 110 -5.893 -17.112 -2.654 797 HE2 HIS 110 2HE HIS 110 -6.544 -15.515 -0.814 798 H LYS 111 H LYS 111 -11.942 -17.874 -4.510 799 HA LYS 111 HA LYS 111 -10.108 -16.144 -5.924 800 1HB LYS 111 2HB LYS 111 -11.989 -18.200 -7.099 801 2HB LYS 111 1HB LYS 111 -10.587 -17.475 -7.878 802 1HG LYS 111 2HG LYS 111 -9.223 -18.518 -5.979 803 2HG LYS 111 1HG LYS 111 -10.664 -19.484 -5.657 804 1HD LYS 111 2HD LYS 111 -9.052 -19.399 -8.201 805 2HD LYS 111 1HD LYS 111 -9.200 -20.746 -7.075 806 1HE LYS 111 2HE LYS 111 -11.560 -20.966 -7.626 807 2HE LYS 111 1HE LYS 111 -11.447 -19.585 -8.719 808 1HZ LYS 111 1HZ LYS 111 -10.313 -22.296 -9.031 809 2HZ LYS 111 2HZ LYS 111 -9.629 -20.981 -9.858 810 3HZ LYS 111 3HZ LYS 111 -11.250 -21.395 -10.125 811 H GLN 112 H GLN 112 -13.596 -16.661 -5.775 812 HA GLN 112 HA GLN 112 -14.332 -14.913 -7.824 813 1HB GLN 112 2HB GLN 112 -15.676 -16.653 -6.279 814 2HB GLN 112 1HB GLN 112 -16.134 -15.154 -5.483 815 1HG GLN 112 2HG GLN 112 -17.799 -15.642 -7.099 816 2HG GLN 112 1HG GLN 112 -16.855 -14.284 -7.712 817 1HE2 GLN 112 1HE2 GLN 112 -15.392 -14.641 -9.417 818 2HE2 GLN 112 2HE2 GLN 112 -15.525 -16.022 -10.443 819 H VAL 113 H VAL 113 -13.989 -14.342 -4.326 820 HA VAL 113 HA VAL 113 -14.723 -11.602 -4.432 821 HB VAL 113 HB VAL 113 -13.085 -13.095 -2.371 822 1HG1 VAL 113 1HG1 VAL 113 -13.565 -11.225 -0.865 823 2HG1 VAL 113 2HG1 VAL 113 -14.344 -10.356 -2.190 824 3HG1 VAL 113 3HG1 VAL 113 -12.615 -10.704 -2.258 825 1HG2 VAL 113 1HG2 VAL 113 -15.148 -13.111 -1.068 826 2HG2 VAL 113 2HG2 VAL 113 -15.374 -13.915 -2.621 827 3HG2 VAL 113 3HG2 VAL 113 -15.989 -12.282 -2.377 828 H MET 114 H MET 114 -11.672 -13.310 -4.775 829 HA MET 114 HA MET 114 -9.985 -11.049 -4.528 830 1HB MET 114 2HB MET 114 -9.452 -13.631 -4.521 831 2HB MET 114 1HB MET 114 -9.228 -13.378 -6.246 832 1HG MET 114 2HG MET 114 -7.107 -13.213 -5.171 833 2HG MET 114 1HG MET 114 -7.582 -11.606 -5.726 834 1HE MET 114 1HE MET 114 -5.607 -10.681 -4.098 835 2HE MET 114 2HE MET 114 -5.283 -12.311 -3.508 836 3HE MET 114 3HE MET 114 -5.562 -10.998 -2.366 837 H SER 115 H SER 115 -11.773 -12.462 -7.158 838 HA SER 115 HA SER 115 -10.590 -11.047 -9.299 839 1HB SER 115 2HB SER 115 -11.984 -13.046 -9.632 840 2HB SER 115 1HB SER 115 -13.390 -12.188 -9.005 841 HG SER 115 HG SER 115 -13.572 -12.007 -11.160 842 H LYS 116 H LYS 116 -12.895 -10.192 -6.858 843 HA LYS 116 HA LYS 116 -13.737 -7.776 -8.257 844 1HB LYS 116 2HB LYS 116 -14.403 -8.556 -5.420 845 2HB LYS 116 1HB LYS 116 -15.279 -7.456 -6.472 846 1HG LYS 116 2HG LYS 116 -15.040 -10.424 -6.897 847 2HG LYS 116 1HG LYS 116 -16.421 -9.609 -6.162 848 1HD LYS 116 2HD LYS 116 -16.816 -8.385 -8.234 849 2HD LYS 116 1HD LYS 116 -15.403 -9.155 -8.968 850 1HE LYS 116 2HE LYS 116 -16.442 -11.317 -8.833 851 2HE LYS 116 1HE LYS 116 -17.792 -10.659 -7.907 852 1HZ LYS 116 1HZ LYS 116 -18.298 -11.036 -10.272 853 2HZ LYS 116 2HZ LYS 116 -17.139 -9.870 -10.696 854 3HZ LYS 116 3HZ LYS 116 -18.511 -9.425 -9.797 855 H LEU 117 H LEU 117 -11.188 -8.774 -6.403 856 HA LEU 117 HA LEU 117 -10.861 -6.244 -4.958 857 1HB LEU 117 2HB LEU 117 -10.675 -8.736 -4.020 858 2HB LEU 117 1HB LEU 117 -9.026 -8.562 -4.582 859 HG LEU 117 HG LEU 117 -10.395 -6.825 -2.525 860 1HD1 LEU 117 1HD1 LEU 117 -8.799 -7.841 -0.980 861 2HD1 LEU 117 2HD1 LEU 117 -8.197 -8.868 -2.279 862 3HD1 LEU 117 3HD1 LEU 117 -9.856 -9.048 -1.708 863 1HD2 LEU 117 1HD2 LEU 117 -8.786 -5.532 -3.835 864 2HD2 LEU 117 2HD2 LEU 117 -7.549 -6.746 -3.516 865 3HD2 LEU 117 3HD2 LEU 117 -8.215 -5.797 -2.187 866 H VAL 118 H VAL 118 -8.631 -8.567 -6.517 867 HA VAL 118 HA VAL 118 -6.638 -6.519 -6.742 868 HB VAL 118 HB VAL 118 -5.224 -8.239 -7.785 869 1HG1 VAL 118 1HG1 VAL 118 -5.282 -8.061 -5.376 870 2HG1 VAL 118 2HG1 VAL 118 -5.133 -9.755 -5.846 871 3HG1 VAL 118 3HG1 VAL 118 -6.688 -9.122 -5.302 872 1HG2 VAL 118 1HG2 VAL 118 -7.654 -10.010 -7.530 873 2HG2 VAL 118 2HG2 VAL 118 -6.032 -10.546 -7.973 874 3HG2 VAL 118 3HG2 VAL 118 -6.923 -9.454 -9.036 875 H ALA 119 H ALA 119 -9.113 -7.676 -8.831 876 HA ALA 119 HA ALA 119 -7.863 -6.948 -11.295 877 1HB ALA 119 1HB ALA 119 -9.688 -8.565 -11.209 878 2HB ALA 119 2HB ALA 119 -10.064 -7.221 -12.285 879 3HB ALA 119 3HB ALA 119 -10.790 -7.295 -10.680 880 H ASN 120 H ASN 120 -8.762 -5.084 -8.783 881 HA ASN 120 HA ASN 120 -9.824 -2.835 -10.264 882 1HB ASN 120 2HB ASN 120 -8.963 -3.180 -7.386 883 2HB ASN 120 1HB ASN 120 -9.484 -1.637 -8.045 884 1HD2 ASN 120 1HD2 ASN 120 -10.938 -4.633 -9.089 885 2HD2 ASN 120 2HD2 ASN 120 -12.453 -4.399 -8.295 886 H GLY 121 H GLY 121 -6.856 -4.199 -10.082 887 1HA GLY 121 2HA GLY 121 -5.126 -3.015 -11.374 888 2HA GLY 121 1HA GLY 121 -5.523 -1.584 -10.435 889 H GLY 122 H GLY 122 -5.476 -4.584 -8.768 890 1HA GLY 122 2HA GLY 122 -3.102 -3.709 -7.305 891 2HA GLY 122 1HA GLY 122 -4.256 -4.927 -6.782 892 H LYS 123 H LYS 123 -1.257 -4.831 -7.155 893 HA LYS 123 HA LYS 123 -0.893 -7.109 -8.974 894 1HB LYS 123 2HB LYS 123 0.550 -4.913 -8.940 895 2HB LYS 123 1HB LYS 123 1.328 -5.662 -7.557 896 1HG LYS 123 2HG LYS 123 1.107 -7.025 -10.224 897 2HG LYS 123 1HG LYS 123 2.449 -5.965 -9.804 898 1HD LYS 123 2HD LYS 123 2.937 -7.426 -7.863 899 2HD LYS 123 1HD LYS 123 1.644 -8.506 -8.392 900 1HE LYS 123 2HE LYS 123 4.104 -7.791 -9.987 901 2HE LYS 123 1HE LYS 123 3.858 -9.296 -9.104 902 1HZ LYS 123 1HZ LYS 123 2.238 -8.339 -11.410 903 2HZ LYS 123 2HZ LYS 123 1.952 -9.765 -10.542 904 3HZ LYS 123 3HZ LYS 123 3.380 -9.591 -11.438 905 H LEU 124 H LEU 124 -0.368 -9.098 -8.193 906 HA LEU 124 HA LEU 124 0.228 -9.343 -5.352 907 1HB LEU 124 2HB LEU 124 -1.337 -11.266 -5.136 908 2HB LEU 124 1HB LEU 124 -2.102 -9.711 -5.314 909 HG LEU 124 HG LEU 124 -3.352 -11.434 -6.467 910 1HD1 LEU 124 1HD1 LEU 124 -3.378 -9.186 -7.420 911 2HD1 LEU 124 2HD1 LEU 124 -3.606 -10.439 -8.640 912 3HD1 LEU 124 3HD1 LEU 124 -2.048 -9.634 -8.487 913 1HD2 LEU 124 1HD2 LEU 124 -0.891 -11.907 -8.132 914 2HD2 LEU 124 2HD2 LEU 124 -2.483 -12.610 -8.422 915 3HD2 LEU 124 3HD2 LEU 124 -1.592 -13.016 -6.955 916 HA PRO 125 HA PRO 125 3.241 -12.385 -6.516 917 1HB PRO 125 2HB PRO 125 2.776 -14.246 -4.499 918 2HB PRO 125 1HB PRO 125 3.841 -12.845 -4.365 919 1HG PRO 125 2HG PRO 125 1.036 -13.190 -3.416 920 2HG PRO 125 1HG PRO 125 2.381 -12.322 -2.656 921 1HD PRO 125 2HD PRO 125 0.405 -11.025 -3.937 922 2HD PRO 125 1HD PRO 125 2.084 -10.445 -3.981 923 HA PRO 126 HA PRO 126 0.918 -15.136 -9.031 924 1HB PRO 126 2HB PRO 126 2.831 -16.964 -9.650 925 2HB PRO 126 1HB PRO 126 2.794 -15.330 -10.320 926 1HG PRO 126 2HG PRO 126 4.414 -16.406 -8.043 927 2HG PRO 126 1HG PRO 126 4.915 -15.337 -9.367 928 1HD PRO 126 2HD PRO 126 4.343 -14.406 -6.901 929 2HD PRO 126 1HD PRO 126 4.003 -13.465 -8.367 930 H GLU 127 H GLU 127 1.011 -15.767 -6.033 931 HA GLU 127 HA GLU 127 0.633 -18.671 -6.146 932 1HB GLU 127 2HB GLU 127 0.702 -16.795 -3.772 933 2HB GLU 127 1HB GLU 127 0.543 -18.545 -3.681 934 1HG GLU 127 2HG GLU 127 2.912 -16.975 -4.660 935 2HG GLU 127 1HG GLU 127 2.806 -17.969 -3.207 936 H ILE 128 H ILE 128 -1.036 -15.726 -6.134 937 HA ILE 128 HA ILE 128 -3.526 -16.951 -5.196 938 HB ILE 128 HB ILE 128 -2.892 -14.029 -5.699 939 1HG1 ILE 128 2HG1 ILE 128 -3.308 -13.993 -3.123 940 2HG1 ILE 128 1HG1 ILE 128 -2.936 -15.710 -3.209 941 1HG2 ILE 128 1HG2 ILE 128 -5.353 -15.312 -4.521 942 2HG2 ILE 128 2HG2 ILE 128 -5.240 -14.477 -6.071 943 3HG2 ILE 128 3HG2 ILE 128 -5.028 -13.579 -4.569 944 1HD1 ILE 128 1HD1 ILE 128 -0.989 -14.396 -2.592 945 2HD1 ILE 128 2HD1 ILE 128 -1.126 -13.475 -4.089 946 3HD1 ILE 128 3HD1 ILE 128 -0.751 -15.197 -4.145 947 H LYS 129 H LYS 129 -5.445 -16.709 -6.447 948 HA LYS 129 HA LYS 129 -6.739 -16.693 -8.303 949 1HB LYS 129 2HB LYS 129 -5.789 -14.533 -8.922 950 2HB LYS 129 1HB LYS 129 -4.397 -15.328 -9.644 951 1HG LYS 129 2HG LYS 129 -6.052 -16.476 -11.194 952 2HG LYS 129 1HG LYS 129 -7.239 -15.311 -10.603 953 1HD LYS 129 2HD LYS 129 -6.193 -14.566 -12.695 954 2HD LYS 129 1HD LYS 129 -5.836 -13.472 -11.357 955 1HE LYS 129 2HE LYS 129 -3.642 -14.441 -11.091 956 2HE LYS 129 1HE LYS 129 -3.998 -15.670 -12.301 957 1HZ LYS 129 1HZ LYS 129 -3.980 -14.075 -14.008 958 2HZ LYS 129 2HZ LYS 129 -2.615 -13.734 -13.058 959 3HZ LYS 129 3HZ LYS 129 -4.003 -12.769 -12.923 960 H HIS 130 H HIS 130 -7.111 -18.665 -8.924 961 HA HIS 130 HA HIS 130 -5.625 -19.989 -10.928 962 1HB HIS 130 2HB HIS 130 -4.602 -20.323 -8.319 963 2HB HIS 130 1HB HIS 130 -5.463 -21.812 -8.687 964 HD1 HIS 130 1HD HIS 130 -2.651 -19.657 -10.015 965 HD2 HIS 130 2HD HIS 130 -4.148 -23.519 -10.396 966 HE1 HIS 130 1HE HIS 130 -0.923 -20.926 -11.330 967 HE2 HIS 130 2HE HIS 130 -1.802 -23.287 -11.466 Start of MODEL 12 1 1H MET 1 1HT MET 1 -24.505 -7.278 0.913 2 2H MET 1 2HT MET 1 -24.987 -6.421 2.295 3 3H MET 1 3HT MET 1 -23.376 -6.939 2.142 4 HA MET 1 HA MET 1 -24.762 -4.936 0.453 5 1HB MET 1 2HB MET 1 -24.139 -4.226 2.785 6 2HB MET 1 1HB MET 1 -22.464 -4.560 2.389 7 1HG MET 1 2HG MET 1 -24.077 -2.638 0.756 8 2HG MET 1 1HG MET 1 -23.324 -2.140 2.267 9 1HE MET 1 1HE MET 1 -22.781 -0.747 -0.548 10 2HE MET 1 2HE MET 1 -21.031 -0.543 -0.506 11 3HE MET 1 3HE MET 1 -21.988 -0.221 0.939 12 H SER 2 H SER 2 -21.354 -5.343 1.260 13 HA SER 2 HA SER 2 -20.461 -6.741 -0.966 14 1HB SER 2 2HB SER 2 -20.621 -3.761 -1.369 15 2HB SER 2 1HB SER 2 -19.328 -4.688 -2.123 16 HG SER 2 HG SER 2 -22.005 -5.504 -2.417 17 H ILE 3 H ILE 3 -19.298 -7.497 0.914 18 HA ILE 3 HA ILE 3 -17.631 -5.942 2.506 19 HB ILE 3 HB ILE 3 -17.214 -8.819 1.707 20 1HG1 ILE 3 2HG1 ILE 3 -18.780 -7.519 3.937 21 2HG1 ILE 3 1HG1 ILE 3 -19.377 -8.603 2.687 22 1HG2 ILE 3 1HG2 ILE 3 -15.195 -7.898 2.652 23 2HG2 ILE 3 2HG2 ILE 3 -15.955 -8.981 3.817 24 3HG2 ILE 3 3HG2 ILE 3 -16.098 -7.234 4.016 25 1HD1 ILE 3 1HD1 ILE 3 -18.014 -10.412 3.688 26 2HD1 ILE 3 2HD1 ILE 3 -19.265 -9.778 4.755 27 3HD1 ILE 3 3HD1 ILE 3 -17.583 -9.307 4.995 28 H PHE 4 H PHE 4 -16.949 -7.507 -0.586 29 HA PHE 4 HA PHE 4 -14.206 -6.949 -0.694 30 1HB PHE 4 2HB PHE 4 -14.550 -7.126 -3.221 31 2HB PHE 4 1HB PHE 4 -15.008 -8.521 -2.253 32 HD1 PHE 4 1HD PHE 4 -16.308 -5.638 -4.159 33 HD2 PHE 4 2HD PHE 4 -17.249 -9.293 -2.186 34 HE1 PHE 4 1HE PHE 4 -18.549 -5.610 -5.180 35 HE2 PHE 4 2HE PHE 4 -19.492 -9.264 -3.196 36 HZ PHE 4 HZ PHE 4 -20.143 -7.425 -4.697 37 H GLY 5 H GLY 5 -16.978 -4.932 -1.362 38 1HA GLY 5 2HA GLY 5 -15.347 -2.845 -2.558 39 2HA GLY 5 1HA GLY 5 -17.086 -2.788 -2.293 40 H LYS 6 H LYS 6 -15.877 -3.874 0.510 41 HA LYS 6 HA LYS 6 -15.843 -1.186 1.685 42 1HB LYS 6 2HB LYS 6 -16.185 -3.909 2.975 43 2HB LYS 6 1HB LYS 6 -16.232 -2.374 3.831 44 1HG LYS 6 2HG LYS 6 -18.250 -1.742 2.820 45 2HG LYS 6 1HG LYS 6 -18.105 -2.976 1.570 46 1HD LYS 6 2HD LYS 6 -19.767 -3.720 3.102 47 2HD LYS 6 1HD LYS 6 -18.328 -4.703 3.364 48 1HE LYS 6 2HE LYS 6 -19.374 -4.019 5.478 49 2HE LYS 6 1HE LYS 6 -17.734 -3.395 5.312 50 1HZ LYS 6 1HZ LYS 6 -20.175 -1.812 4.695 51 2HZ LYS 6 2HZ LYS 6 -18.577 -1.248 4.773 52 3HZ LYS 6 3HZ LYS 6 -19.364 -1.763 6.182 53 H ILE 7 H ILE 7 -14.053 -4.239 1.607 54 HA ILE 7 HA ILE 7 -11.968 -3.380 3.334 55 HB ILE 7 HB ILE 7 -10.749 -5.373 2.559 56 1HG1 ILE 7 2HG1 ILE 7 -13.097 -5.751 0.682 57 2HG1 ILE 7 1HG1 ILE 7 -11.467 -5.306 0.192 58 1HG2 ILE 7 1HG2 ILE 7 -12.411 -7.042 3.311 59 2HG2 ILE 7 2HG2 ILE 7 -13.665 -5.807 3.188 60 3HG2 ILE 7 3HG2 ILE 7 -12.349 -5.617 4.348 61 1HD1 ILE 7 1HD1 ILE 7 -10.637 -7.445 1.021 62 2HD1 ILE 7 2HD1 ILE 7 -11.891 -7.659 -0.199 63 3HD1 ILE 7 3HD1 ILE 7 -12.272 -7.888 1.506 64 H MET 8 H MET 8 -12.488 -3.091 -0.106 65 HA MET 8 HA MET 8 -9.777 -2.669 -0.818 66 1HB MET 8 2HB MET 8 -10.620 -1.933 -2.981 67 2HB MET 8 1HB MET 8 -11.435 -3.395 -2.462 68 1HG MET 8 2HG MET 8 -13.126 -2.100 -3.373 69 2HG MET 8 1HG MET 8 -13.300 -1.853 -1.640 70 1HE MET 8 1HE MET 8 -14.873 0.255 -2.260 71 2HE MET 8 2HE MET 8 -14.575 0.012 -3.981 72 3HE MET 8 3HE MET 8 -14.334 1.604 -3.260 73 H SER 9 H SER 9 -12.051 -0.696 0.741 74 HA SER 9 HA SER 9 -11.247 1.840 -0.214 75 1HB SER 9 2HB SER 9 -13.396 1.356 0.975 76 2HB SER 9 1HB SER 9 -12.479 1.188 2.473 77 HG SER 9 HG SER 9 -11.693 3.408 1.924 78 H ALA 10 H ALA 10 -9.756 -0.390 1.882 79 HA ALA 10 HA ALA 10 -7.997 1.680 2.998 80 1HB ALA 10 1HB ALA 10 -9.023 0.173 4.624 81 2HB ALA 10 2HB ALA 10 -7.270 -0.015 4.594 82 3HB ALA 10 3HB ALA 10 -8.299 -1.211 3.805 83 H ILE 11 H ILE 11 -7.909 -1.456 1.328 84 HA ILE 11 HA ILE 11 -5.147 -1.689 1.024 85 HB ILE 11 HB ILE 11 -7.324 -2.689 -0.830 86 1HG1 ILE 11 2HG1 ILE 11 -5.891 -4.099 1.433 87 2HG1 ILE 11 1HG1 ILE 11 -7.521 -3.441 1.535 88 1HG2 ILE 11 1HG2 ILE 11 -4.450 -3.552 -0.544 89 2HG2 ILE 11 2HG2 ILE 11 -5.155 -2.703 -1.920 90 3HG2 ILE 11 3HG2 ILE 11 -5.664 -4.350 -1.545 91 1HD1 ILE 11 1HD1 ILE 11 -8.237 -4.978 -0.224 92 2HD1 ILE 11 2HD1 ILE 11 -7.568 -5.835 1.165 93 3HD1 ILE 11 3HD1 ILE 11 -6.605 -5.639 -0.302 94 H PHE 12 H PHE 12 -7.559 -0.172 -1.088 95 HA PHE 12 HA PHE 12 -5.392 0.806 -2.805 96 1HB PHE 12 2HB PHE 12 -8.382 0.726 -3.248 97 2HB PHE 12 1HB PHE 12 -7.215 1.391 -4.388 98 HD1 PHE 12 1HD PHE 12 -5.592 -0.088 -5.496 99 HD2 PHE 12 2HD PHE 12 -8.726 -1.620 -3.060 100 HE1 PHE 12 1HE PHE 12 -5.271 -2.319 -6.492 101 HE2 PHE 12 2HE PHE 12 -8.410 -3.853 -4.047 102 HZ PHE 12 HZ PHE 12 -6.680 -4.205 -5.765 103 H GLY 13 H GLY 13 -6.358 1.801 -0.090 104 1HA GLY 13 2HA GLY 13 -6.670 4.611 -0.918 105 2HA GLY 13 1HA GLY 13 -7.701 3.926 0.330 106 H ASP 14 H ASP 14 -4.233 3.363 -0.157 107 HA ASP 14 HA ASP 14 -3.649 3.845 2.565 108 1HB ASP 14 2HB ASP 14 -2.137 2.466 1.262 109 2HB ASP 14 1HB ASP 14 -1.765 3.818 0.194 110 H SER 15 H SER 15 -3.639 5.638 3.583 111 HA SER 15 HA SER 15 -2.636 8.065 2.288 112 1HB SER 15 2HB SER 15 -4.440 9.145 3.950 113 2HB SER 15 1HB SER 15 -4.860 8.659 2.307 114 HG SER 15 HG SER 15 -5.688 6.734 3.113 115 H ALA 16 H ALA 16 -1.821 5.846 4.281 116 HA ALA 16 HA ALA 16 -1.177 7.551 6.595 117 1HB ALA 16 1HB ALA 16 -2.515 5.553 7.106 118 2HB ALA 16 2HB ALA 16 -0.924 5.486 7.867 119 3HB ALA 16 3HB ALA 16 -1.250 4.538 6.414 120 H ALA 17 H ALA 17 0.131 6.598 3.804 121 HA ALA 17 HA ALA 17 2.228 6.489 2.952 122 1HB ALA 17 1HB ALA 17 4.080 7.475 4.199 123 2HB ALA 17 2HB ALA 17 3.097 7.503 5.663 124 3HB ALA 17 3HB ALA 17 2.651 8.504 4.280 125 H ALA 18 H ALA 18 1.119 4.166 3.806 126 HA ALA 18 HA ALA 18 3.332 2.710 5.100 127 1HB ALA 18 1HB ALA 18 1.190 2.526 6.261 128 2HB ALA 18 2HB ALA 18 1.687 0.968 5.601 129 3HB ALA 18 3HB ALA 18 0.439 1.912 4.787 130 H SER 19 H SER 19 2.770 3.599 2.231 131 HA SER 19 HA SER 19 2.259 1.461 0.555 132 1HB SER 19 2HB SER 19 4.185 3.745 0.059 133 2HB SER 19 1HB SER 19 3.394 2.757 -1.169 134 HG SER 19 HG SER 19 1.556 3.810 0.522 135 HA PRO 20 HA PRO 20 5.565 -1.413 1.124 136 1HB PRO 20 2HB PRO 20 5.644 -2.298 -1.520 137 2HB PRO 20 1HB PRO 20 4.611 -2.948 -0.245 138 1HG PRO 20 2HG PRO 20 3.972 -0.974 -2.387 139 2HG PRO 20 1HG PRO 20 2.958 -2.260 -1.701 140 1HD PRO 20 2HD PRO 20 2.595 0.310 -1.031 141 2HD PRO 20 1HD PRO 20 2.400 -0.990 0.165 142 H GLY 21 H GLY 21 7.570 -0.694 1.370 143 1HA GLY 21 2HA GLY 21 9.716 -0.479 0.149 144 2HA GLY 21 1HA GLY 21 8.875 0.619 -0.933 145 H GLY 22 H GLY 22 7.382 1.833 1.318 146 1HA GLY 22 2HA GLY 22 9.390 3.821 1.961 147 2HA GLY 22 1HA GLY 22 7.673 3.914 2.317 148 H ALA 23 H ALA 23 10.244 1.612 3.212 149 HA ALA 23 HA ALA 23 9.811 2.285 6.023 150 1HB ALA 23 1HB ALA 23 9.616 -0.029 6.689 151 2HB ALA 23 2HB ALA 23 9.766 -0.558 5.014 152 3HB ALA 23 3HB ALA 23 8.352 0.362 5.526 153 H GLN 24 H GLN 24 11.839 3.313 5.811 154 HA GLN 24 HA GLN 24 14.145 1.528 5.495 155 1HB GLN 24 2HB GLN 24 13.828 4.516 5.409 156 2HB GLN 24 1HB GLN 24 15.401 3.797 5.700 157 1HG GLN 24 2HG GLN 24 15.226 4.354 3.391 158 2HG GLN 24 1HG GLN 24 15.205 2.601 3.544 159 1HE2 GLN 24 1HE2 GLN 24 13.434 1.474 2.883 160 2HE2 GLN 24 2HE2 GLN 24 12.086 2.206 2.071 161 H ALA 25 H ALA 25 15.968 1.923 7.051 162 HA ALA 25 HA ALA 25 14.932 2.298 9.763 163 1HB ALA 25 1HB ALA 25 16.287 0.285 9.324 164 2HB ALA 25 2HB ALA 25 17.050 1.337 10.518 165 3HB ALA 25 3HB ALA 25 17.642 1.311 8.857 166 HA PRO 26 HA PRO 26 16.295 6.558 9.336 167 1HB PRO 26 2HB PRO 26 15.676 6.556 12.240 168 2HB PRO 26 1HB PRO 26 15.093 7.631 10.964 169 1HG PRO 26 2HG PRO 26 13.498 5.771 12.013 170 2HG PRO 26 1HG PRO 26 13.449 6.147 10.280 171 1HD PRO 26 2HD PRO 26 14.718 3.827 11.682 172 2HD PRO 26 1HD PRO 26 13.830 3.869 10.144 173 H ALA 27 H ALA 27 18.319 7.260 9.430 174 HA ALA 27 HA ALA 27 20.211 5.884 11.168 175 1HB ALA 27 1HB ALA 27 21.932 7.003 9.832 176 2HB ALA 27 2HB ALA 27 20.680 7.885 8.957 177 3HB ALA 27 3HB ALA 27 20.788 6.131 8.812 178 H THR 28 H THR 28 21.629 6.981 12.573 179 HA THR 28 HA THR 28 20.464 9.157 13.978 180 HB THR 28 HB THR 28 23.280 8.073 14.205 181 HG1 THR 28 1HG THR 28 20.952 6.889 14.707 182 1HG2 THR 28 1HG2 THR 28 21.563 9.617 16.155 183 2HG2 THR 28 2HG2 THR 28 22.990 10.226 15.317 184 3HG2 THR 28 3HG2 THR 28 23.149 8.935 16.510 185 H THR 29 H THR 29 20.596 11.243 13.535 186 HA THR 29 HA THR 29 21.826 12.292 11.276 187 HB THR 29 HB THR 29 21.049 13.806 13.776 188 HG1 THR 29 1HG THR 29 19.482 13.119 11.474 189 1HG2 THR 29 1HG2 THR 29 22.342 15.151 12.202 190 2HG2 THR 29 2HG2 THR 29 20.656 15.670 12.214 191 3HG2 THR 29 3HG2 THR 29 21.261 14.677 10.887 192 H GLY 30 H GLY 30 23.895 12.510 10.849 193 1HA GLY 30 2HA GLY 30 25.699 13.737 12.744 194 2HA GLY 30 1HA GLY 30 26.043 12.044 12.423 195 H ALA 31 H ALA 31 27.534 11.728 10.925 196 HA ALA 31 HA ALA 31 28.166 13.877 9.059 197 1HB ALA 31 1HB ALA 31 29.992 12.851 10.306 198 2HB ALA 31 2HB ALA 31 30.186 12.587 8.572 199 3HB ALA 31 3HB ALA 31 29.601 11.280 9.603 200 H ALA 32 H ALA 32 25.911 11.680 8.965 201 HA ALA 32 HA ALA 32 26.432 10.730 6.229 202 1HB ALA 32 1HB ALA 32 25.934 8.981 7.862 203 2HB ALA 32 2HB ALA 32 24.669 9.090 6.636 204 3HB ALA 32 3HB ALA 32 24.400 9.767 8.244 205 H GLY 33 H GLY 33 25.415 13.425 7.246 206 1HA GLY 33 2HA GLY 33 22.717 13.470 6.108 207 2HA GLY 33 1HA GLY 33 23.474 14.757 7.035 208 H THR 34 H THR 34 24.313 12.960 4.081 209 HA THR 34 HA THR 34 25.159 15.443 2.835 210 HB THR 34 HB THR 34 25.818 13.892 0.937 211 HG1 THR 34 1HG THR 34 24.321 12.199 1.716 212 1HG2 THR 34 1HG2 THR 34 27.447 14.659 2.594 213 2HG2 THR 34 2HG2 THR 34 27.771 12.989 2.123 214 3HG2 THR 34 3HG2 THR 34 26.991 13.336 3.668 215 H ALA 35 H ALA 35 23.178 16.477 2.584 216 HA ALA 35 HA ALA 35 21.451 17.242 1.332 217 1HB ALA 35 1HB ALA 35 20.919 16.257 -0.838 218 2HB ALA 35 2HB ALA 35 21.992 14.902 -0.489 219 3HB ALA 35 3HB ALA 35 22.653 16.529 -0.659 220 HA PRO 36 HA PRO 36 18.169 14.985 3.274 221 1HB PRO 36 2HB PRO 36 16.350 16.797 1.863 222 2HB PRO 36 1HB PRO 36 16.631 16.624 3.598 223 1HG PRO 36 2HG PRO 36 17.451 18.793 2.215 224 2HG PRO 36 1HG PRO 36 18.351 18.157 3.604 225 1HD PRO 36 2HD PRO 36 18.894 17.821 0.676 226 2HD PRO 36 1HD PRO 36 20.035 18.113 2.007 227 H THR 37 H THR 37 18.202 13.037 2.196 228 HA THR 37 HA THR 37 17.370 12.689 -0.494 229 HB THR 37 HB THR 37 17.304 10.241 0.158 230 HG1 THR 37 1HG THR 37 16.864 10.748 2.434 231 1HG2 THR 37 1HG2 THR 37 19.741 10.079 0.477 232 2HG2 THR 37 2HG2 THR 37 19.803 11.808 0.818 233 3HG2 THR 37 3HG2 THR 37 19.317 11.241 -0.780 234 H ALA 38 H ALA 38 15.337 13.197 -1.056 235 HA ALA 38 HA ALA 38 13.152 11.913 0.421 236 1HB ALA 38 1HB ALA 38 13.116 14.760 -0.578 237 2HB ALA 38 2HB ALA 38 13.242 14.262 1.110 238 3HB ALA 38 3HB ALA 38 11.775 13.913 0.192 239 HA PRO 39 HA PRO 39 12.061 10.671 -3.734 240 1HB PRO 39 2HB PRO 39 9.595 9.627 -2.588 241 2HB PRO 39 1HB PRO 39 10.965 8.740 -3.259 242 1HG PRO 39 2HG PRO 39 10.354 8.728 -0.616 243 2HG PRO 39 1HG PRO 39 12.011 8.554 -1.223 244 1HD PRO 39 2HD PRO 39 10.645 10.982 -0.112 245 2HD PRO 39 1HD PRO 39 12.296 10.391 0.171 246 H GLN 40 H GLN 40 11.403 12.278 -5.027 247 HA GLN 40 HA GLN 40 9.255 14.038 -4.287 248 1HB GLN 40 2HB GLN 40 10.873 13.880 -6.836 249 2HB GLN 40 1HB GLN 40 9.717 15.150 -6.455 250 1HG GLN 40 2HG GLN 40 12.250 14.531 -4.950 251 2HG GLN 40 1HG GLN 40 11.972 15.900 -6.026 252 1HE2 GLN 40 1HE2 GLN 40 12.706 15.829 -3.197 253 2HE2 GLN 40 2HE2 GLN 40 11.486 16.729 -2.368 254 HA PRO 41 HA PRO 41 7.173 12.030 -8.228 255 1HB PRO 41 2HB PRO 41 7.854 9.395 -8.643 256 2HB PRO 41 1HB PRO 41 8.538 10.760 -9.531 257 1HG PRO 41 2HG PRO 41 9.655 9.271 -7.190 258 2HG PRO 41 1HG PRO 41 10.481 9.859 -8.647 259 1HD PRO 41 2HD PRO 41 10.667 11.173 -6.322 260 2HD PRO 41 1HD PRO 41 10.573 12.042 -7.868 261 H THR 42 H THR 42 5.427 12.128 -6.867 262 HA THR 42 HA THR 42 4.859 9.833 -5.158 263 HB THR 42 HB THR 42 3.217 12.345 -5.527 264 HG1 THR 42 1HG THR 42 5.578 12.303 -4.568 265 1HG2 THR 42 1HG2 THR 42 1.988 10.460 -4.541 266 2HG2 THR 42 2HG2 THR 42 2.252 11.741 -3.358 267 3HG2 THR 42 3HG2 THR 42 3.245 10.284 -3.315 268 H ALA 43 H ALA 43 4.417 8.239 -6.623 269 HA ALA 43 HA ALA 43 1.774 8.251 -7.766 270 1HB ALA 43 1HB ALA 43 2.483 7.696 -10.033 271 2HB ALA 43 2HB ALA 43 4.171 7.902 -9.569 272 3HB ALA 43 3HB ALA 43 3.082 9.288 -9.566 273 H ALA 44 H ALA 44 1.223 6.096 -8.629 274 HA ALA 44 HA ALA 44 2.932 3.889 -7.953 275 1HB ALA 44 1HB ALA 44 2.013 4.407 -5.741 276 2HB ALA 44 2HB ALA 44 1.416 2.858 -6.334 277 3HB ALA 44 3HB ALA 44 0.377 4.282 -6.387 278 HA PRO 45 HA PRO 45 0.113 3.187 -11.454 279 1HB PRO 45 2HB PRO 45 1.875 1.893 -13.009 280 2HB PRO 45 1HB PRO 45 1.907 3.647 -12.826 281 1HG PRO 45 2HG PRO 45 3.625 1.574 -11.521 282 2HG PRO 45 1HG PRO 45 4.082 3.151 -12.192 283 1HD PRO 45 2HD PRO 45 3.681 2.677 -9.521 284 2HD PRO 45 1HD PRO 45 3.492 4.267 -10.286 285 H SER 46 H SER 46 1.637 1.091 -9.285 286 HA SER 46 HA SER 46 -0.247 -1.014 -9.982 287 1HB SER 46 2HB SER 46 1.596 -2.727 -9.622 288 2HB SER 46 1HB SER 46 1.707 -1.798 -11.117 289 HG SER 46 HG SER 46 3.104 -1.183 -8.718 290 H ILE 47 H ILE 47 -1.385 -1.357 -8.199 291 HA ILE 47 HA ILE 47 -0.256 -0.776 -5.580 292 HB ILE 47 HB ILE 47 -3.027 -1.685 -6.390 293 1HG1 ILE 47 2HG1 ILE 47 -2.509 0.591 -7.111 294 2HG1 ILE 47 1HG1 ILE 47 -3.689 0.617 -5.808 295 1HG2 ILE 47 1HG2 ILE 47 -3.698 -1.236 -4.099 296 2HG2 ILE 47 2HG2 ILE 47 -2.040 -0.801 -3.685 297 3HG2 ILE 47 3HG2 ILE 47 -2.426 -2.458 -4.146 298 1HD1 ILE 47 1HD1 ILE 47 -0.746 1.126 -5.472 299 2HD1 ILE 47 2HD1 ILE 47 -1.987 1.251 -4.224 300 3HD1 ILE 47 3HD1 ILE 47 -1.992 2.368 -5.590 301 H ASP 48 H ASP 48 1.066 -2.374 -4.858 302 HA ASP 48 HA ASP 48 0.534 -5.129 -5.526 303 1HB ASP 48 2HB ASP 48 2.856 -4.018 -5.272 304 2HB ASP 48 1HB ASP 48 2.603 -4.207 -3.540 305 H VAL 49 H VAL 49 -0.945 -6.226 -4.467 306 HA VAL 49 HA VAL 49 -1.981 -5.219 -1.976 307 HB VAL 49 HB VAL 49 -2.805 -7.723 -3.452 308 1HG1 VAL 49 1HG1 VAL 49 -4.295 -6.013 -1.471 309 2HG1 VAL 49 2HG1 VAL 49 -3.639 -7.624 -1.176 310 3HG1 VAL 49 3HG1 VAL 49 -4.952 -7.409 -2.333 311 1HG2 VAL 49 1HG2 VAL 49 -3.828 -4.908 -3.777 312 2HG2 VAL 49 2HG2 VAL 49 -4.561 -6.345 -4.490 313 3HG2 VAL 49 3HG2 VAL 49 -2.938 -5.848 -4.973 314 H ALA 50 H ALA 50 0.399 -7.462 -2.866 315 HA ALA 50 HA ALA 50 -0.043 -9.521 -1.017 316 1HB ALA 50 1HB ALA 50 2.602 -8.683 -2.185 317 2HB ALA 50 2HB ALA 50 1.431 -9.741 -2.972 318 3HB ALA 50 3HB ALA 50 2.206 -10.250 -1.472 319 HA PRO 51 HA PRO 51 3.146 -7.447 1.963 320 1HB PRO 51 2HB PRO 51 3.636 -4.781 1.618 321 2HB PRO 51 1HB PRO 51 4.646 -6.057 0.929 322 1HG PRO 51 2HG PRO 51 2.475 -4.453 -0.364 323 2HG PRO 51 1HG PRO 51 4.062 -4.912 -1.008 324 1HD PRO 51 2HD PRO 51 1.817 -6.212 -1.704 325 2HD PRO 51 1HD PRO 51 3.372 -7.052 -1.527 326 H ILE 52 H ILE 52 0.541 -5.445 0.666 327 HA ILE 52 HA ILE 52 -0.080 -3.969 2.955 328 HB ILE 52 HB ILE 52 -1.946 -4.926 0.778 329 1HG1 ILE 52 2HG1 ILE 52 -0.469 -2.309 1.153 330 2HG1 ILE 52 1HG1 ILE 52 -0.076 -3.552 -0.032 331 1HG2 ILE 52 1HG2 ILE 52 -2.330 -2.769 2.861 332 2HG2 ILE 52 2HG2 ILE 52 -3.207 -4.297 2.761 333 3HG2 ILE 52 3HG2 ILE 52 -3.412 -3.078 1.502 334 1HD1 ILE 52 1HD1 ILE 52 -2.639 -1.964 0.062 335 2HD1 ILE 52 2HD1 ILE 52 -2.209 -3.180 -1.141 336 3HD1 ILE 52 3HD1 ILE 52 -1.285 -1.684 -1.034 337 H LEU 53 H LEU 53 -1.416 -7.083 1.840 338 HA LEU 53 HA LEU 53 -3.007 -7.302 4.246 339 1HB LEU 53 2HB LEU 53 -2.620 -9.256 1.978 340 2HB LEU 53 1HB LEU 53 -3.782 -9.429 3.280 341 HG LEU 53 HG LEU 53 -3.785 -7.317 1.125 342 1HD1 LEU 53 1HD1 LEU 53 -5.898 -8.341 0.482 343 2HD1 LEU 53 2HD1 LEU 53 -5.729 -9.530 1.773 344 3HD1 LEU 53 3HD1 LEU 53 -4.589 -9.521 0.427 345 1HD2 LEU 53 1HD2 LEU 53 -5.828 -6.483 2.147 346 2HD2 LEU 53 2HD2 LEU 53 -4.477 -6.368 3.275 347 3HD2 LEU 53 3HD2 LEU 53 -5.671 -7.655 3.454 348 H ASP 54 H ASP 54 0.018 -8.460 3.024 349 HA ASP 54 HA ASP 54 0.416 -10.663 4.726 350 1HB ASP 54 2HB ASP 54 1.810 -10.020 2.713 351 2HB ASP 54 1HB ASP 54 2.570 -8.791 3.716 352 H LYS 55 H LYS 55 0.914 -7.206 5.185 353 HA LYS 55 HA LYS 55 1.967 -7.656 7.865 354 1HB LYS 55 2HB LYS 55 1.356 -4.980 6.616 355 2HB LYS 55 1HB LYS 55 2.445 -5.326 7.952 356 1HG LYS 55 2HG LYS 55 2.832 -5.944 5.038 357 2HG LYS 55 1HG LYS 55 3.799 -4.894 6.074 358 1HD LYS 55 2HD LYS 55 4.781 -6.700 7.187 359 2HD LYS 55 1HD LYS 55 3.528 -7.825 6.653 360 1HE LYS 55 2HE LYS 55 4.331 -7.594 4.345 361 2HE LYS 55 1HE LYS 55 5.613 -6.520 4.910 362 1HZ LYS 55 1HZ LYS 55 6.311 -8.441 6.379 363 2HZ LYS 55 2HZ LYS 55 6.579 -8.623 4.717 364 3HZ LYS 55 3HZ LYS 55 5.264 -9.409 5.450 365 H ALA 56 H ALA 56 -0.991 -6.901 6.270 366 HA ALA 56 HA ALA 56 -2.422 -5.767 8.420 367 1HB ALA 56 1HB ALA 56 -3.285 -5.693 6.144 368 2HB ALA 56 2HB ALA 56 -4.449 -6.471 7.217 369 3HB ALA 56 3HB ALA 56 -3.456 -7.448 6.134 370 H VAL 57 H VAL 57 -1.578 -9.042 7.581 371 HA VAL 57 HA VAL 57 -3.199 -10.464 9.372 372 HB VAL 57 HB VAL 57 -0.406 -10.991 8.348 373 1HG1 VAL 57 1HG1 VAL 57 -2.136 -12.831 9.998 374 2HG1 VAL 57 2HG1 VAL 57 -0.594 -12.130 10.481 375 3HG1 VAL 57 3HG1 VAL 57 -0.655 -13.301 9.165 376 1HG2 VAL 57 1HG2 VAL 57 -2.174 -11.064 6.681 377 2HG2 VAL 57 2HG2 VAL 57 -3.080 -12.208 7.671 378 3HG2 VAL 57 3HG2 VAL 57 -1.531 -12.680 6.972 379 H LYS 58 H LYS 58 -0.026 -8.996 9.777 380 HA LYS 58 HA LYS 58 0.312 -9.709 12.505 381 1HB LYS 58 2HB LYS 58 1.618 -7.459 10.963 382 2HB LYS 58 1HB LYS 58 2.225 -8.225 12.427 383 1HG LYS 58 2HG LYS 58 2.674 -10.254 11.294 384 2HG LYS 58 1HG LYS 58 1.787 -9.728 9.863 385 1HD LYS 58 2HD LYS 58 4.137 -9.561 9.425 386 2HD LYS 58 1HD LYS 58 3.462 -7.937 9.544 387 1HE LYS 58 2HE LYS 58 5.626 -8.146 10.707 388 2HE LYS 58 1HE LYS 58 4.314 -7.710 11.800 389 1HZ LYS 58 1HZ LYS 58 4.257 -9.862 12.689 390 2HZ LYS 58 2HZ LYS 58 5.907 -9.489 12.580 391 3HZ LYS 58 3HZ LYS 58 5.194 -10.512 11.435 392 H ALA 59 H ALA 59 -1.167 -7.034 10.830 393 HA ALA 59 HA ALA 59 -1.425 -5.348 13.128 394 1HB ALA 59 1HB ALA 59 -2.919 -5.263 10.508 395 2HB ALA 59 2HB ALA 59 -1.395 -4.442 10.846 396 3HB ALA 59 3HB ALA 59 -2.860 -3.979 11.715 397 H LYS 60 H LYS 60 -3.227 -8.007 11.808 398 HA LYS 60 HA LYS 60 -5.645 -7.421 13.250 399 1HB LYS 60 2HB LYS 60 -5.607 -8.772 11.142 400 2HB LYS 60 1HB LYS 60 -4.783 -10.052 12.020 401 1HG LYS 60 2HG LYS 60 -7.214 -10.427 11.757 402 2HG LYS 60 1HG LYS 60 -6.686 -10.387 13.441 403 1HD LYS 60 2HD LYS 60 -7.436 -8.055 13.612 404 2HD LYS 60 1HD LYS 60 -7.973 -8.110 11.932 405 1HE LYS 60 2HE LYS 60 -9.635 -9.733 12.437 406 2HE LYS 60 1HE LYS 60 -8.984 -9.983 14.056 407 1HZ LYS 60 1HZ LYS 60 -10.204 -7.444 13.095 408 2HZ LYS 60 2HZ LYS 60 -9.664 -7.773 14.667 409 3HZ LYS 60 3HZ LYS 60 -10.997 -8.607 14.039 410 H GLY 61 H GLY 61 -2.929 -9.698 13.639 411 1HA GLY 61 2HA GLY 61 -2.373 -9.257 16.220 412 2HA GLY 61 1HA GLY 61 -3.812 -10.250 16.359 413 H GLU 62 H GLU 62 -3.511 -12.213 14.563 414 HA GLU 62 HA GLU 62 -1.156 -13.564 15.699 415 1HB GLU 62 2HB GLU 62 -2.471 -15.644 15.590 416 2HB GLU 62 1HB GLU 62 -3.237 -14.429 16.601 417 1HG GLU 62 2HG GLU 62 -4.736 -13.857 14.731 418 2HG GLU 62 1HG GLU 62 -4.000 -15.148 13.782 419 H LYS 63 H LYS 63 -0.665 -15.661 14.389 420 HA LYS 63 HA LYS 63 0.134 -14.864 11.776 421 1HB LYS 63 2HB LYS 63 1.350 -16.484 13.304 422 2HB LYS 63 1HB LYS 63 0.122 -17.670 12.903 423 1HG LYS 63 2HG LYS 63 1.776 -16.335 10.783 424 2HG LYS 63 1HG LYS 63 2.348 -17.756 11.650 425 1HD LYS 63 2HD LYS 63 -0.113 -17.542 9.915 426 2HD LYS 63 1HD LYS 63 1.357 -18.459 9.578 427 1HE LYS 63 2HE LYS 63 0.878 -19.802 11.640 428 2HE LYS 63 1HE LYS 63 -0.678 -18.978 11.737 429 1HZ LYS 63 1HZ LYS 63 -1.161 -19.843 9.474 430 2HZ LYS 63 2HZ LYS 63 -0.989 -21.058 10.646 431 3HZ LYS 63 3HZ LYS 63 0.269 -20.754 9.552 432 H LEU 64 H LEU 64 -1.049 -14.884 10.027 433 HA LEU 64 HA LEU 64 -3.220 -16.820 9.715 434 1HB LEU 64 2HB LEU 64 -3.441 -13.839 9.261 435 2HB LEU 64 1HB LEU 64 -4.685 -15.017 8.892 436 HG LEU 64 HG LEU 64 -3.652 -14.639 11.695 437 1HD1 LEU 64 1HD1 LEU 64 -4.473 -12.476 10.939 438 2HD1 LEU 64 2HD1 LEU 64 -5.590 -13.194 12.102 439 3HD1 LEU 64 3HD1 LEU 64 -5.969 -13.226 10.378 440 1HD2 LEU 64 1HD2 LEU 64 -6.237 -15.733 10.595 441 2HD2 LEU 64 2HD2 LEU 64 -5.775 -15.650 12.297 442 3HD2 LEU 64 3HD2 LEU 64 -4.883 -16.698 11.192 443 H GLU 65 H GLU 65 -4.071 -16.611 7.335 444 HA GLU 65 HA GLU 65 -1.942 -15.867 5.512 445 1HB GLU 65 2HB GLU 65 -2.078 -18.137 4.382 446 2HB GLU 65 1HB GLU 65 -1.206 -18.058 5.900 447 1HG GLU 65 2HG GLU 65 -4.068 -18.945 5.734 448 2HG GLU 65 1HG GLU 65 -2.714 -20.053 5.534 449 H TRP 66 H TRP 66 -3.465 -14.309 4.910 450 HA TRP 66 HA TRP 66 -5.996 -14.733 3.847 451 1HB TRP 66 2HB TRP 66 -5.646 -12.583 2.661 452 2HB TRP 66 1HB TRP 66 -5.149 -12.507 4.348 453 HD1 TRP 66 HD TRP 66 -2.537 -12.227 4.854 454 HE1 TRP 66 1HE TRP 66 -0.566 -11.441 3.395 455 HE3 TRP 66 3HE TRP 66 -4.723 -12.649 0.236 456 HZ2 TRP 66 2HZ TRP 66 -0.017 -11.053 0.653 457 HZ3 TRP 66 3HZ TRP 66 -3.399 -12.047 -1.743 458 HH2 TRP 66 HH TRP 66 -1.099 -11.268 -1.540 459 H ARG 67 H ARG 67 -2.987 -15.640 2.588 460 HA ARG 67 HA ARG 67 -3.503 -15.342 -0.183 461 1HB ARG 67 2HB ARG 67 -1.290 -15.777 1.297 462 2HB ARG 67 1HB ARG 67 -1.580 -17.406 0.706 463 1HG ARG 67 2HG ARG 67 -1.176 -16.839 -1.475 464 2HG ARG 67 1HG ARG 67 -1.619 -15.146 -1.231 465 1HD ARG 67 2HD ARG 67 0.868 -16.493 -0.177 466 2HD ARG 67 1HD ARG 67 0.794 -15.403 -1.563 467 HE ARG 67 HE ARG 67 -0.168 -13.788 0.241 468 1HH1 ARG 67 1HH1 ARG 67 2.411 -16.107 0.680 469 2HH1 ARG 67 2HH1 ARG 67 3.216 -15.170 1.911 470 1HH2 ARG 67 1HH2 ARG 67 0.886 -12.548 1.847 471 2HH2 ARG 67 2HH2 ARG 67 2.341 -13.139 2.589 472 H THR 68 H THR 68 -4.424 -17.692 2.151 473 HA THR 68 HA THR 68 -5.621 -19.267 -0.028 474 HB THR 68 HB THR 68 -3.893 -20.653 0.876 475 HG1 THR 68 1HG THR 68 -6.307 -21.409 0.757 476 1HG2 THR 68 1HG2 THR 68 -5.069 -20.089 3.598 477 2HG2 THR 68 2HG2 THR 68 -3.505 -19.538 2.995 478 3HG2 THR 68 3HG2 THR 68 -3.792 -21.258 3.264 479 H SER 69 H SER 69 -5.985 -17.775 3.098 480 HA SER 69 HA SER 69 -8.699 -18.826 3.364 481 1HB SER 69 2HB SER 69 -7.069 -17.164 5.297 482 2HB SER 69 1HB SER 69 -8.611 -17.946 5.638 483 HG SER 69 HG SER 69 -6.808 -19.155 6.390 484 H ILE 70 H ILE 70 -10.232 -17.678 2.364 485 HA ILE 70 HA ILE 70 -9.891 -14.919 1.698 486 HB ILE 70 HB ILE 70 -11.232 -16.465 0.306 487 1HG1 ILE 70 2HG1 ILE 70 -13.097 -14.896 -0.131 488 2HG1 ILE 70 1HG1 ILE 70 -12.736 -14.075 1.384 489 1HG2 ILE 70 1HG2 ILE 70 -12.329 -17.769 2.010 490 2HG2 ILE 70 2HG2 ILE 70 -13.541 -17.004 0.979 491 3HG2 ILE 70 3HG2 ILE 70 -13.202 -16.347 2.581 492 1HD1 ILE 70 1HD1 ILE 70 -10.519 -13.493 0.529 493 2HD1 ILE 70 2HD1 ILE 70 -11.815 -12.856 -0.486 494 3HD1 ILE 70 3HD1 ILE 70 -10.912 -14.284 -0.997 495 H VAL 71 H VAL 71 -11.359 -16.663 4.309 496 HA VAL 71 HA VAL 71 -12.933 -14.573 5.384 497 HB VAL 71 HB VAL 71 -11.672 -16.896 6.860 498 1HG1 VAL 71 1HG1 VAL 71 -14.097 -15.227 7.532 499 2HG1 VAL 71 2HG1 VAL 71 -12.536 -15.152 8.347 500 3HG1 VAL 71 3HG1 VAL 71 -13.514 -16.616 8.444 501 1HG2 VAL 71 1HG2 VAL 71 -14.340 -16.720 5.468 502 2HG2 VAL 71 2HG2 VAL 71 -13.787 -18.068 6.462 503 3HG2 VAL 71 3HG2 VAL 71 -12.957 -17.686 4.952 504 H ASP 72 H ASP 72 -9.573 -15.416 5.598 505 HA ASP 72 HA ASP 72 -8.857 -14.043 7.920 506 1HB ASP 72 2HB ASP 72 -7.390 -15.682 6.869 507 2HB ASP 72 1HB ASP 72 -7.192 -14.627 5.469 508 H LEU 73 H LEU 73 -8.200 -13.005 4.562 509 HA LEU 73 HA LEU 73 -7.319 -10.462 5.278 510 1HB LEU 73 2HB LEU 73 -7.766 -9.831 2.909 511 2HB LEU 73 1HB LEU 73 -6.788 -11.269 3.116 512 HG LEU 73 HG LEU 73 -9.092 -12.505 2.813 513 1HD1 LEU 73 1HD1 LEU 73 -10.452 -10.471 2.778 514 2HD1 LEU 73 2HD1 LEU 73 -10.584 -11.374 1.270 515 3HD1 LEU 73 3HD1 LEU 73 -9.587 -9.922 1.341 516 1HD2 LEU 73 1HD2 LEU 73 -7.568 -11.264 0.529 517 2HD2 LEU 73 2HD2 LEU 73 -8.648 -12.654 0.415 518 3HD2 LEU 73 3HD2 LEU 73 -7.164 -12.766 1.361 519 H MET 74 H MET 74 -10.520 -11.684 4.948 520 HA MET 74 HA MET 74 -11.925 -9.272 4.660 521 1HB MET 74 2HB MET 74 -12.930 -11.468 4.279 522 2HB MET 74 1HB MET 74 -12.756 -11.860 5.983 523 1HG MET 74 2HG MET 74 -14.357 -10.204 6.596 524 2HG MET 74 1HG MET 74 -14.424 -9.587 4.945 525 1HE MET 74 1HE MET 74 -15.902 -13.818 6.064 526 2HE MET 74 2HE MET 74 -15.134 -12.732 7.223 527 3HE MET 74 3HE MET 74 -14.201 -13.390 5.880 528 H LYS 75 H LYS 75 -10.854 -11.046 7.561 529 HA LYS 75 HA LYS 75 -12.098 -9.137 9.327 530 1HB LYS 75 2HB LYS 75 -11.163 -10.403 11.138 531 2HB LYS 75 1HB LYS 75 -11.777 -11.535 9.944 532 1HG LYS 75 2HG LYS 75 -9.470 -11.827 9.096 533 2HG LYS 75 1HG LYS 75 -8.898 -10.774 10.390 534 1HD LYS 75 2HD LYS 75 -8.568 -13.040 11.081 535 2HD LYS 75 1HD LYS 75 -9.897 -12.371 12.029 536 1HE LYS 75 2HE LYS 75 -11.517 -13.503 10.668 537 2HE LYS 75 1HE LYS 75 -10.266 -14.029 9.541 538 1HZ LYS 75 1HZ LYS 75 -9.344 -15.455 11.185 539 2HZ LYS 75 2HZ LYS 75 -11.011 -15.764 11.125 540 3HZ LYS 75 3HZ LYS 75 -10.365 -14.844 12.395 541 H ALA 76 H ALA 76 -8.904 -9.715 8.007 542 HA ALA 76 HA ALA 76 -7.349 -8.195 9.753 543 1HB ALA 76 1HB ALA 76 -6.434 -9.745 8.093 544 2HB ALA 76 2HB ALA 76 -5.689 -8.152 7.978 545 3HB ALA 76 3HB ALA 76 -6.909 -8.641 6.802 546 H LEU 77 H LEU 77 -9.232 -7.210 6.937 547 HA LEU 77 HA LEU 77 -8.248 -4.541 6.923 548 1HB LEU 77 2HB LEU 77 -10.467 -5.975 5.571 549 2HB LEU 77 1HB LEU 77 -10.563 -4.228 5.651 550 HG LEU 77 HG LEU 77 -9.594 -4.834 3.551 551 1HD1 LEU 77 1HD1 LEU 77 -8.666 -2.857 4.631 552 2HD1 LEU 77 2HD1 LEU 77 -7.462 -3.677 3.640 553 3HD1 LEU 77 3HD1 LEU 77 -7.426 -3.850 5.394 554 1HD2 LEU 77 1HD2 LEU 77 -7.509 -6.108 3.384 555 2HD2 LEU 77 2HD2 LEU 77 -8.818 -7.062 4.081 556 3HD2 LEU 77 3HD2 LEU 77 -7.558 -6.401 5.123 557 H ASP 78 H ASP 78 -11.611 -5.569 7.654 558 HA ASP 78 HA ASP 78 -11.793 -3.985 10.013 559 1HB ASP 78 2HB ASP 78 -11.529 -2.241 8.180 560 2HB ASP 78 1HB ASP 78 -13.090 -2.764 7.565 561 H ILE 79 H ILE 79 -12.672 -6.630 9.002 562 HA ILE 79 HA ILE 79 -15.595 -6.211 9.119 563 HB ILE 79 HB ILE 79 -14.195 -8.332 7.477 564 1HG1 ILE 79 2HG1 ILE 79 -13.926 -6.061 6.534 565 2HG1 ILE 79 1HG1 ILE 79 -14.949 -7.078 5.522 566 1HG2 ILE 79 1HG2 ILE 79 -17.115 -7.594 7.624 567 2HG2 ILE 79 2HG2 ILE 79 -16.386 -9.035 8.324 568 3HG2 ILE 79 3HG2 ILE 79 -16.405 -8.822 6.575 569 1HD1 ILE 79 1HD1 ILE 79 -15.897 -4.963 7.446 570 2HD1 ILE 79 2HD1 ILE 79 -16.930 -5.995 6.460 571 3HD1 ILE 79 3HD1 ILE 79 -15.849 -4.837 5.686 572 H ASP 80 H ASP 80 -16.840 -7.810 10.145 573 HA ASP 80 HA ASP 80 -15.822 -8.774 12.563 574 1HB ASP 80 2HB ASP 80 -18.279 -9.684 11.047 575 2HB ASP 80 1HB ASP 80 -17.946 -10.046 12.736 576 H SER 81 H SER 81 -16.184 -10.330 9.469 577 HA SER 81 HA SER 81 -15.559 -12.279 8.564 578 1HB SER 81 2HB SER 81 -13.565 -13.383 9.304 579 2HB SER 81 1HB SER 81 -13.327 -11.647 9.474 580 HG SER 81 HG SER 81 -14.118 -12.139 11.767 581 H SER 82 H SER 82 -17.426 -12.116 11.122 582 HA SER 82 HA SER 82 -17.514 -14.902 11.859 583 1HB SER 82 2HB SER 82 -18.068 -13.047 13.464 584 2HB SER 82 1HB SER 82 -19.500 -12.702 12.499 585 HG SER 82 HG SER 82 -19.808 -14.104 14.384 586 H LEU 83 H LEU 83 -20.190 -15.498 11.934 587 HA LEU 83 HA LEU 83 -20.626 -16.527 9.388 588 1HB LEU 83 2HB LEU 83 -21.665 -17.307 11.547 589 2HB LEU 83 1HB LEU 83 -22.776 -15.961 11.432 590 HG LEU 83 HG LEU 83 -23.609 -18.261 10.667 591 1HD1 LEU 83 1HD1 LEU 83 -23.847 -15.930 8.777 592 2HD1 LEU 83 2HD1 LEU 83 -24.840 -16.221 10.205 593 3HD1 LEU 83 3HD1 LEU 83 -24.924 -17.327 8.835 594 1HD2 LEU 83 1HD2 LEU 83 -23.081 -18.906 8.388 595 2HD2 LEU 83 2HD2 LEU 83 -21.628 -18.889 9.387 596 3HD2 LEU 83 3HD2 LEU 83 -21.938 -17.567 8.263 597 H SER 84 H SER 84 -21.848 -13.565 10.865 598 HA SER 84 HA SER 84 -23.683 -12.748 8.967 599 1HB SER 84 2HB SER 84 -21.747 -10.916 10.389 600 2HB SER 84 1HB SER 84 -23.390 -10.545 9.857 601 HG SER 84 HG SER 84 -24.065 -12.261 11.339 602 H ALA 85 H ALA 85 -20.172 -12.448 8.931 603 HA ALA 85 HA ALA 85 -20.075 -10.763 6.624 604 1HB ALA 85 1HB ALA 85 -17.898 -12.397 7.927 605 2HB ALA 85 2HB ALA 85 -18.298 -10.716 8.287 606 3HB ALA 85 3HB ALA 85 -17.660 -11.149 6.701 607 H ARG 86 H ARG 86 -19.317 -14.211 7.173 608 HA ARG 86 HA ARG 86 -18.716 -14.770 4.470 609 1HB ARG 86 2HB ARG 86 -19.616 -16.597 6.699 610 2HB ARG 86 1HB ARG 86 -19.129 -17.170 5.113 611 1HG ARG 86 2HG ARG 86 -17.103 -17.362 6.007 612 2HG ARG 86 1HG ARG 86 -17.004 -15.610 5.829 613 1HD ARG 86 2HD ARG 86 -16.369 -16.272 8.077 614 2HD ARG 86 1HD ARG 86 -17.869 -15.345 8.113 615 HE ARG 86 HE ARG 86 -18.760 -17.882 8.025 616 1HH1 ARG 86 1HH1 ARG 86 -16.419 -16.281 10.075 617 2HH1 ARG 86 2HH1 ARG 86 -16.690 -17.341 11.428 618 1HH2 ARG 86 1HH2 ARG 86 -19.123 -19.279 9.813 619 2HH2 ARG 86 2HH2 ARG 86 -18.222 -19.044 11.280 620 H LYS 87 H LYS 87 -21.680 -14.358 6.124 621 HA LYS 87 HA LYS 87 -23.325 -15.934 4.416 622 1HB LYS 87 2HB LYS 87 -23.944 -15.301 6.743 623 2HB LYS 87 1HB LYS 87 -24.096 -13.630 6.221 624 1HG LYS 87 2HG LYS 87 -26.274 -14.255 6.128 625 2HG LYS 87 1HG LYS 87 -25.785 -14.681 4.491 626 1HD LYS 87 2HD LYS 87 -26.006 -16.564 6.843 627 2HD LYS 87 1HD LYS 87 -27.118 -16.462 5.479 628 1HE LYS 87 2HE LYS 87 -25.076 -16.994 4.024 629 2HE LYS 87 1HE LYS 87 -24.287 -17.453 5.535 630 1HZ LYS 87 1HZ LYS 87 -25.905 -19.135 5.908 631 2HZ LYS 87 2HZ LYS 87 -25.346 -19.323 4.318 632 3HZ LYS 87 3HZ LYS 87 -26.858 -18.610 4.606 633 H GLU 88 H GLU 88 -22.777 -12.401 4.705 634 HA GLU 88 HA GLU 88 -24.402 -11.889 2.423 635 1HB GLU 88 2HB GLU 88 -23.705 -9.578 2.579 636 2HB GLU 88 1HB GLU 88 -24.104 -10.183 4.176 637 1HG GLU 88 2HG GLU 88 -21.848 -10.229 4.832 638 2HG GLU 88 1HG GLU 88 -21.280 -10.047 3.170 639 H LEU 89 H LEU 89 -20.886 -11.969 2.942 640 HA LEU 89 HA LEU 89 -20.037 -11.038 0.489 641 1HB LEU 89 2HB LEU 89 -18.550 -11.475 2.372 642 2HB LEU 89 1HB LEU 89 -18.785 -13.200 2.183 643 HG LEU 89 HG LEU 89 -17.649 -13.134 0.012 644 1HD1 LEU 89 1HD1 LEU 89 -16.533 -11.100 -0.735 645 2HD1 LEU 89 2HD1 LEU 89 -17.243 -10.208 0.607 646 3HD1 LEU 89 3HD1 LEU 89 -18.279 -10.870 -0.653 647 1HD2 LEU 89 1HD2 LEU 89 -16.107 -11.807 2.239 648 2HD2 LEU 89 2HD2 LEU 89 -15.402 -12.627 0.847 649 3HD2 LEU 89 3HD2 LEU 89 -16.343 -13.544 2.022 650 H ALA 90 H ALA 90 -20.983 -14.322 1.348 651 HA ALA 90 HA ALA 90 -20.181 -15.487 -1.117 652 1HB ALA 90 1HB ALA 90 -20.365 -16.781 0.950 653 2HB ALA 90 2HB ALA 90 -21.350 -17.472 -0.340 654 3HB ALA 90 3HB ALA 90 -22.114 -16.538 0.949 655 H LYS 91 H LYS 91 -23.307 -14.329 0.124 656 HA LYS 91 HA LYS 91 -24.755 -15.398 -2.094 657 1HB LYS 91 2HB LYS 91 -26.696 -14.317 -1.174 658 2HB LYS 91 1HB LYS 91 -25.777 -15.039 0.137 659 1HG LYS 91 2HG LYS 91 -24.842 -12.841 0.680 660 2HG LYS 91 1HG LYS 91 -25.804 -12.122 -0.615 661 1HD LYS 91 2HD LYS 91 -27.848 -12.959 0.527 662 2HD LYS 91 1HD LYS 91 -26.827 -13.512 1.856 663 1HE LYS 91 2HE LYS 91 -27.755 -11.380 2.440 664 2HE LYS 91 1HE LYS 91 -26.029 -11.182 2.147 665 1HZ LYS 91 1HZ LYS 91 -27.243 -9.403 1.120 666 2HZ LYS 91 2HZ LYS 91 -28.223 -10.490 0.271 667 3HZ LYS 91 3HZ LYS 91 -26.569 -10.376 -0.098 668 H GLU 92 H GLU 92 -23.218 -12.317 -1.425 669 HA GLU 92 HA GLU 92 -24.547 -10.819 -3.423 670 1HB GLU 92 2HB GLU 92 -21.713 -10.349 -2.493 671 2HB GLU 92 1HB GLU 92 -22.818 -9.175 -3.187 672 1HG GLU 92 2HG GLU 92 -23.080 -10.497 -0.501 673 2HG GLU 92 1HG GLU 92 -22.553 -8.847 -0.802 674 H LEU 93 H LEU 93 -21.676 -12.851 -3.427 675 HA LEU 93 HA LEU 93 -20.980 -12.220 -6.151 676 1HB LEU 93 2HB LEU 93 -20.004 -14.409 -4.316 677 2HB LEU 93 1HB LEU 93 -19.323 -14.041 -5.889 678 HG LEU 93 HG LEU 93 -19.342 -12.176 -3.515 679 1HD1 LEU 93 1HD1 LEU 93 -16.932 -12.581 -3.481 680 2HD1 LEU 93 2HD1 LEU 93 -17.114 -13.766 -4.775 681 3HD1 LEU 93 3HD1 LEU 93 -17.845 -14.061 -3.197 682 1HD2 LEU 93 1HD2 LEU 93 -19.448 -11.006 -5.667 683 2HD2 LEU 93 2HD2 LEU 93 -18.030 -11.899 -6.216 684 3HD2 LEU 93 3HD2 LEU 93 -17.894 -10.771 -4.867 685 H GLY 94 H GLY 94 -23.112 -14.389 -4.614 686 1HA GLY 94 2HA GLY 94 -24.821 -15.461 -5.898 687 2HA GLY 94 1HA GLY 94 -23.680 -15.604 -7.227 688 H TYR 95 H TYR 95 -23.390 -16.492 -3.802 689 HA TYR 95 HA TYR 95 -22.308 -19.049 -4.391 690 1HB TYR 95 2HB TYR 95 -21.870 -17.821 -2.278 691 2HB TYR 95 1HB TYR 95 -23.550 -18.057 -1.815 692 HD1 TYR 95 1HD TYR 95 -24.283 -20.114 -0.846 693 HD2 TYR 95 2HD TYR 95 -20.340 -19.794 -2.419 694 HE1 TYR 95 1HE TYR 95 -23.681 -22.240 0.234 695 HE2 TYR 95 2HE TYR 95 -19.734 -21.917 -1.341 696 HH TYR 95 HH TYR 95 -20.586 -23.231 0.733 697 H SER 96 H SER 96 -23.664 -20.188 -5.698 698 HA SER 96 HA SER 96 -26.195 -21.046 -4.478 699 1HB SER 96 2HB SER 96 -26.549 -19.605 -6.492 700 2HB SER 96 1HB SER 96 -25.648 -20.777 -7.450 701 HG SER 96 HG SER 96 -28.234 -20.863 -6.508 702 H GLY 97 H GLY 97 -25.701 -22.990 -3.664 703 1HA GLY 97 2HA GLY 97 -25.149 -25.185 -5.328 704 2HA GLY 97 1HA GLY 97 -23.650 -24.659 -4.572 705 H ASP 98 H ASP 98 -23.692 -26.779 -3.606 706 HA ASP 98 HA ASP 98 -24.639 -26.843 -0.963 707 1HB ASP 98 2HB ASP 98 -26.813 -27.197 -2.284 708 2HB ASP 98 1HB ASP 98 -26.144 -28.751 -2.765 709 H MET 99 H MET 99 -23.969 -28.805 -3.808 710 HA MET 99 HA MET 99 -22.834 -31.011 -2.399 711 1HB MET 99 2HB MET 99 -22.251 -31.826 -4.638 712 2HB MET 99 1HB MET 99 -23.917 -31.261 -4.578 713 1HG MET 99 2HG MET 99 -23.115 -29.090 -5.533 714 2HG MET 99 1HG MET 99 -21.546 -29.851 -5.776 715 1HE MET 99 1HE MET 99 -25.314 -29.787 -6.744 716 2HE MET 99 2HE MET 99 -25.155 -31.463 -6.216 717 3HE MET 99 3HE MET 99 -25.441 -31.095 -7.919 718 H ASN 100 H ASN 100 -21.623 -27.969 -3.059 719 HA ASN 100 HA ASN 100 -18.890 -28.707 -3.602 720 1HB ASN 100 2HB ASN 100 -18.477 -26.243 -3.308 721 2HB ASN 100 1HB ASN 100 -19.661 -26.644 -4.547 722 1HD2 ASN 100 1HD2 ASN 100 -19.195 -25.325 -1.347 723 2HD2 ASN 100 2HD2 ASN 100 -20.751 -24.572 -1.225 724 H ASP 101 H ASP 101 -20.839 -28.272 -0.834 725 HA ASP 101 HA ASP 101 -20.452 -28.384 1.404 726 1HB ASP 101 2HB ASP 101 -19.159 -30.437 0.439 727 2HB ASP 101 1HB ASP 101 -17.717 -29.501 0.812 728 H SER 102 H SER 102 -18.047 -28.087 2.888 729 HA SER 102 HA SER 102 -17.726 -25.220 2.692 730 1HB SER 102 2HB SER 102 -16.409 -27.194 4.582 731 2HB SER 102 1HB SER 102 -16.452 -25.440 4.768 732 HG SER 102 HG SER 102 -18.401 -27.336 5.280 733 H ALA 103 H ALA 103 -16.104 -27.997 1.567 734 HA ALA 103 HA ALA 103 -13.424 -27.135 1.609 735 1HB ALA 103 1HB ALA 103 -14.738 -29.081 -0.285 736 2HB ALA 103 2HB ALA 103 -14.083 -29.477 1.305 737 3HB ALA 103 3HB ALA 103 -13.007 -28.931 0.021 738 H SER 104 H SER 104 -15.621 -27.341 -1.201 739 HA SER 104 HA SER 104 -13.899 -25.771 -2.835 740 1HB SER 104 2HB SER 104 -16.825 -26.292 -3.362 741 2HB SER 104 1HB SER 104 -15.523 -26.080 -4.534 742 HG SER 104 HG SER 104 -15.358 -28.173 -4.483 743 H MET 105 H MET 105 -16.223 -25.025 -0.481 744 HA MET 105 HA MET 105 -17.278 -22.613 -1.465 745 1HB MET 105 2HB MET 105 -18.288 -23.819 0.399 746 2HB MET 105 1HB MET 105 -16.861 -23.526 1.385 747 1HG MET 105 2HG MET 105 -17.307 -21.160 1.416 748 2HG MET 105 1HG MET 105 -18.645 -21.365 0.286 749 1HE MET 105 1HE MET 105 -18.842 -19.814 3.094 750 2HE MET 105 2HE MET 105 -20.409 -20.389 3.665 751 3HE MET 105 3HE MET 105 -20.192 -19.960 1.967 752 H ASN 106 H ASN 106 -14.456 -23.270 0.596 753 HA ASN 106 HA ASN 106 -13.749 -20.516 0.866 754 1HB ASN 106 2HB ASN 106 -13.035 -22.215 2.509 755 2HB ASN 106 1HB ASN 106 -12.047 -22.990 1.276 756 1HD2 ASN 106 1HD2 ASN 106 -10.136 -22.714 2.360 757 2HD2 ASN 106 2HD2 ASN 106 -9.391 -21.165 2.573 758 H ILE 107 H ILE 107 -12.894 -23.098 -1.336 759 HA ILE 107 HA ILE 107 -10.680 -21.860 -2.565 760 HB ILE 107 HB ILE 107 -12.586 -23.900 -3.719 761 1HG1 ILE 107 2HG1 ILE 107 -9.924 -24.258 -2.323 762 2HG1 ILE 107 1HG1 ILE 107 -11.500 -24.612 -1.620 763 1HG2 ILE 107 1HG2 ILE 107 -11.311 -22.798 -5.470 764 2HG2 ILE 107 2HG2 ILE 107 -10.746 -24.453 -5.253 765 3HG2 ILE 107 3HG2 ILE 107 -9.806 -23.111 -4.601 766 1HD1 ILE 107 1HD1 ILE 107 -11.863 -26.341 -3.297 767 2HD1 ILE 107 2HD1 ILE 107 -10.389 -26.634 -2.374 768 3HD1 ILE 107 3HD1 ILE 107 -10.290 -25.983 -4.009 769 H TRP 108 H TRP 108 -14.088 -22.088 -3.593 770 HA TRP 108 HA TRP 108 -13.789 -20.547 -5.939 771 1HB TRP 108 2HB TRP 108 -15.683 -21.992 -5.780 772 2HB TRP 108 1HB TRP 108 -16.200 -21.264 -4.264 773 HD1 TRP 108 HD TRP 108 -15.993 -20.409 -8.029 774 HE1 TRP 108 1HE TRP 108 -17.819 -18.664 -8.556 775 HE3 TRP 108 3HE TRP 108 -17.712 -19.586 -3.282 776 HZ2 TRP 108 2HZ TRP 108 -19.733 -17.158 -7.136 777 HZ3 TRP 108 3HZ TRP 108 -19.543 -17.975 -2.957 778 HH2 TRP 108 HH TRP 108 -20.527 -16.787 -4.841 779 H LEU 109 H LEU 109 -14.936 -19.676 -2.692 780 HA LEU 109 HA LEU 109 -15.731 -17.058 -3.329 781 1HB LEU 109 2HB LEU 109 -16.350 -18.393 -1.275 782 2HB LEU 109 1HB LEU 109 -14.766 -18.006 -0.632 783 HG LEU 109 HG LEU 109 -15.348 -15.592 -0.758 784 1HD1 LEU 109 1HD1 LEU 109 -17.001 -15.664 -2.520 785 2HD1 LEU 109 2HD1 LEU 109 -17.717 -14.986 -1.057 786 3HD1 LEU 109 3HD1 LEU 109 -18.067 -16.653 -1.519 787 1HD2 LEU 109 1HD2 LEU 109 -15.622 -16.820 1.324 788 2HD2 LEU 109 2HD2 LEU 109 -17.245 -17.311 0.835 789 3HD2 LEU 109 3HD2 LEU 109 -16.890 -15.610 1.141 790 H HIS 110 H HIS 110 -12.650 -18.373 -2.237 791 HA HIS 110 HA HIS 110 -11.406 -15.909 -1.642 792 1HB HIS 110 2HB HIS 110 -10.573 -18.103 -0.848 793 2HB HIS 110 1HB HIS 110 -10.098 -18.502 -2.496 794 HD1 HIS 110 1HD HIS 110 -7.749 -17.928 -3.087 795 HD2 HIS 110 2HD HIS 110 -9.135 -15.696 0.130 796 HE1 HIS 110 1HE HIS 110 -5.785 -16.563 -2.319 797 HE2 HIS 110 2HE HIS 110 -6.596 -15.387 -0.240 798 H LYS 111 H LYS 111 -11.926 -17.612 -4.628 799 HA LYS 111 HA LYS 111 -9.980 -16.031 -6.079 800 1HB LYS 111 2HB LYS 111 -12.061 -17.970 -7.109 801 2HB LYS 111 1HB LYS 111 -10.766 -17.255 -8.058 802 1HG LYS 111 2HG LYS 111 -9.120 -18.390 -6.626 803 2HG LYS 111 1HG LYS 111 -10.446 -19.145 -5.737 804 1HD LYS 111 2HD LYS 111 -11.213 -20.201 -7.830 805 2HD LYS 111 1HD LYS 111 -9.838 -19.486 -8.674 806 1HE LYS 111 2HE LYS 111 -8.321 -20.705 -7.144 807 2HE LYS 111 1HE LYS 111 -9.728 -21.479 -6.414 808 1HZ LYS 111 1HZ LYS 111 -8.801 -21.746 -9.220 809 2HZ LYS 111 2HZ LYS 111 -10.271 -22.371 -8.642 810 3HZ LYS 111 3HZ LYS 111 -8.804 -22.952 -8.027 811 H GLN 112 H GLN 112 -13.499 -16.282 -5.819 812 HA GLN 112 HA GLN 112 -14.076 -14.442 -7.874 813 1HB GLN 112 2HB GLN 112 -15.633 -16.176 -6.872 814 2HB GLN 112 1HB GLN 112 -15.866 -15.060 -5.530 815 1HG GLN 112 2HG GLN 112 -17.653 -14.877 -7.170 816 2HG GLN 112 1HG GLN 112 -16.730 -13.378 -7.050 817 1HE2 GLN 112 1HE2 GLN 112 -15.632 -16.255 -8.711 818 2HE2 GLN 112 2HE2 GLN 112 -15.672 -15.583 -10.299 819 H VAL 113 H VAL 113 -13.979 -14.031 -4.329 820 HA VAL 113 HA VAL 113 -14.573 -11.303 -4.246 821 HB VAL 113 HB VAL 113 -12.711 -12.822 -2.403 822 1HG1 VAL 113 1HG1 VAL 113 -14.133 -10.190 -2.003 823 2HG1 VAL 113 2HG1 VAL 113 -12.395 -10.422 -2.198 824 3HG1 VAL 113 3HG1 VAL 113 -13.213 -11.056 -0.770 825 1HG2 VAL 113 1HG2 VAL 113 -14.941 -13.807 -2.503 826 2HG2 VAL 113 2HG2 VAL 113 -15.656 -12.236 -2.137 827 3HG2 VAL 113 3HG2 VAL 113 -14.648 -13.047 -0.939 828 H MET 114 H MET 114 -11.518 -12.979 -4.802 829 HA MET 114 HA MET 114 -9.866 -10.688 -4.578 830 1HB MET 114 2HB MET 114 -9.263 -13.236 -4.556 831 2HB MET 114 1HB MET 114 -9.141 -13.032 -6.299 832 1HG MET 114 2HG MET 114 -6.969 -12.791 -5.351 833 2HG MET 114 1HG MET 114 -7.507 -11.215 -5.926 834 1HE MET 114 1HE MET 114 -5.522 -10.116 -4.464 835 2HE MET 114 2HE MET 114 -5.057 -11.709 -3.859 836 3HE MET 114 3HE MET 114 -5.339 -10.385 -2.730 837 H SER 115 H SER 115 -11.720 -12.099 -7.159 838 HA SER 115 HA SER 115 -10.517 -10.585 -9.262 839 1HB SER 115 2HB SER 115 -13.182 -12.014 -9.174 840 2HB SER 115 1HB SER 115 -12.369 -11.434 -10.629 841 HG SER 115 HG SER 115 -11.490 -13.459 -8.838 842 H LYS 116 H LYS 116 -12.732 -9.853 -6.806 843 HA LYS 116 HA LYS 116 -13.806 -7.521 -8.217 844 1HB LYS 116 2HB LYS 116 -14.518 -8.998 -5.723 845 2HB LYS 116 1HB LYS 116 -14.878 -7.281 -5.780 846 1HG LYS 116 2HG LYS 116 -16.792 -8.666 -6.415 847 2HG LYS 116 1HG LYS 116 -16.280 -7.593 -7.714 848 1HD LYS 116 2HD LYS 116 -15.195 -9.413 -8.859 849 2HD LYS 116 1HD LYS 116 -15.522 -10.504 -7.509 850 1HE LYS 116 2HE LYS 116 -17.828 -10.514 -7.932 851 2HE LYS 116 1HE LYS 116 -17.731 -9.092 -8.971 852 1HZ LYS 116 1HZ LYS 116 -16.390 -10.506 -10.525 853 2HZ LYS 116 2HZ LYS 116 -18.018 -10.946 -10.372 854 3HZ LYS 116 3HZ LYS 116 -16.820 -11.849 -9.579 855 H LEU 117 H LEU 117 -11.180 -8.425 -6.430 856 HA LEU 117 HA LEU 117 -10.892 -5.841 -5.082 857 1HB LEU 117 2HB LEU 117 -10.708 -7.909 -3.728 858 2HB LEU 117 1HB LEU 117 -9.335 -8.398 -4.701 859 HG LEU 117 HG LEU 117 -8.111 -6.382 -3.922 860 1HD1 LEU 117 1HD1 LEU 117 -8.960 -5.136 -2.020 861 2HD1 LEU 117 2HD1 LEU 117 -10.457 -6.068 -2.058 862 3HD1 LEU 117 3HD1 LEU 117 -10.052 -4.993 -3.397 863 1HD2 LEU 117 1HD2 LEU 117 -7.687 -7.224 -1.654 864 2HD2 LEU 117 2HD2 LEU 117 -7.747 -8.522 -2.846 865 3HD2 LEU 117 3HD2 LEU 117 -9.121 -8.242 -1.776 866 H VAL 118 H VAL 118 -8.749 -8.184 -6.747 867 HA VAL 118 HA VAL 118 -6.708 -6.233 -7.073 868 HB VAL 118 HB VAL 118 -5.528 -7.881 -8.419 869 1HG1 VAL 118 1HG1 VAL 118 -5.392 -9.673 -6.747 870 2HG1 VAL 118 2HG1 VAL 118 -6.861 -9.058 -5.989 871 3HG1 VAL 118 3HG1 VAL 118 -5.401 -8.068 -6.011 872 1HG2 VAL 118 1HG2 VAL 118 -6.488 -10.060 -8.920 873 2HG2 VAL 118 2HG2 VAL 118 -7.433 -8.778 -9.678 874 3HG2 VAL 118 3HG2 VAL 118 -8.025 -9.562 -8.212 875 H ALA 119 H ALA 119 -9.506 -6.963 -8.889 876 HA ALA 119 HA ALA 119 -8.635 -6.207 -11.468 877 1HB ALA 119 1HB ALA 119 -11.420 -6.023 -10.327 878 2HB ALA 119 2HB ALA 119 -10.705 -7.465 -11.041 879 3HB ALA 119 3HB ALA 119 -10.981 -6.040 -12.038 880 H ASN 120 H ASN 120 -9.141 -4.385 -8.662 881 HA ASN 120 HA ASN 120 -9.856 -1.911 -9.963 882 1HB ASN 120 2HB ASN 120 -8.960 -2.498 -7.136 883 2HB ASN 120 1HB ASN 120 -9.469 -0.910 -7.702 884 1HD2 ASN 120 1HD2 ASN 120 -10.464 -4.096 -6.818 885 2HD2 ASN 120 2HD2 ASN 120 -12.169 -3.800 -6.796 886 H GLY 121 H GLY 121 -7.072 -3.633 -9.938 887 1HA GLY 121 2HA GLY 121 -5.196 -2.586 -11.140 888 2HA GLY 121 1HA GLY 121 -5.432 -1.177 -10.114 889 H GLY 122 H GLY 122 -5.791 -4.223 -8.620 890 1HA GLY 122 2HA GLY 122 -3.370 -3.779 -7.074 891 2HA GLY 122 1HA GLY 122 -4.641 -4.947 -6.718 892 H LYS 123 H LYS 123 -1.560 -4.866 -7.296 893 HA LYS 123 HA LYS 123 -1.427 -6.972 -9.311 894 1HB LYS 123 2HB LYS 123 0.168 -4.969 -9.229 895 2HB LYS 123 1HB LYS 123 0.884 -5.729 -7.818 896 1HG LYS 123 2HG LYS 123 0.624 -7.325 -10.318 897 2HG LYS 123 1HG LYS 123 1.887 -6.098 -10.212 898 1HD LYS 123 2HD LYS 123 3.071 -7.258 -8.665 899 2HD LYS 123 1HD LYS 123 1.626 -7.928 -7.905 900 1HE LYS 123 2HE LYS 123 3.060 -9.614 -9.049 901 2HE LYS 123 1HE LYS 123 1.396 -9.568 -9.622 902 1HZ LYS 123 1HZ LYS 123 2.982 -9.754 -11.438 903 2HZ LYS 123 2HZ LYS 123 3.717 -8.295 -10.983 904 3HZ LYS 123 3HZ LYS 123 2.115 -8.301 -11.544 905 H LEU 124 H LEU 124 -1.033 -9.059 -8.839 906 HA LEU 124 HA LEU 124 -0.352 -9.737 -6.086 907 1HB LEU 124 2HB LEU 124 -2.055 -11.479 -5.957 908 2HB LEU 124 1HB LEU 124 -2.748 -9.886 -6.102 909 HG LEU 124 HG LEU 124 -4.122 -11.379 -7.323 910 1HD1 LEU 124 1HD1 LEU 124 -4.112 -10.532 -9.562 911 2HD1 LEU 124 2HD1 LEU 124 -2.445 -9.992 -9.392 912 3HD1 LEU 124 3HD1 LEU 124 -3.719 -9.232 -8.439 913 1HD2 LEU 124 1HD2 LEU 124 -2.593 -13.234 -7.566 914 2HD2 LEU 124 2HD2 LEU 124 -1.681 -12.344 -8.785 915 3HD2 LEU 124 3HD2 LEU 124 -3.345 -12.831 -9.110 916 HA PRO 125 HA PRO 125 2.467 -12.580 -7.925 917 1HB PRO 125 2HB PRO 125 2.670 -14.380 -5.884 918 2HB PRO 125 1HB PRO 125 3.446 -12.793 -5.858 919 1HG PRO 125 2HG PRO 125 0.879 -13.668 -4.592 920 2HG PRO 125 1HG PRO 125 2.177 -12.668 -3.911 921 1HD PRO 125 2HD PRO 125 -0.095 -11.589 -4.878 922 2HD PRO 125 1HD PRO 125 1.474 -10.770 -5.037 923 HA PRO 126 HA PRO 126 0.331 -16.027 -9.710 924 1HB PRO 126 2HB PRO 126 2.525 -17.874 -9.016 925 2HB PRO 126 1HB PRO 126 1.916 -17.398 -10.603 926 1HG PRO 126 2HG PRO 126 4.278 -16.516 -9.707 927 2HG PRO 126 1HG PRO 126 3.210 -15.481 -10.673 928 1HD PRO 126 2HD PRO 126 3.661 -15.497 -7.712 929 2HD PRO 126 1HD PRO 126 3.504 -14.117 -8.819 930 H GLU 127 H GLU 127 0.646 -15.840 -6.507 931 HA GLU 127 HA GLU 127 0.010 -18.475 -5.624 932 1HB GLU 127 2HB GLU 127 -0.490 -15.831 -4.246 933 2HB GLU 127 1HB GLU 127 -0.451 -17.413 -3.483 934 1HG GLU 127 2HG GLU 127 1.895 -16.091 -4.825 935 2HG GLU 127 1HG GLU 127 1.583 -16.085 -3.091 936 H ILE 128 H ILE 128 -1.755 -15.778 -6.856 937 HA ILE 128 HA ILE 128 -4.317 -17.033 -6.110 938 HB ILE 128 HB ILE 128 -3.889 -14.053 -6.379 939 1HG1 ILE 128 2HG1 ILE 128 -4.178 -15.120 -3.659 940 2HG1 ILE 128 1HG1 ILE 128 -2.670 -15.588 -4.443 941 1HG2 ILE 128 1HG2 ILE 128 -6.030 -15.712 -5.049 942 2HG2 ILE 128 2HG2 ILE 128 -6.196 -14.756 -6.523 943 3HG2 ILE 128 3HG2 ILE 128 -5.925 -13.954 -4.976 944 1HD1 ILE 128 1HD1 ILE 128 -3.676 -12.780 -4.035 945 2HD1 ILE 128 2HD1 ILE 128 -2.189 -13.224 -4.873 946 3HD1 ILE 128 3HD1 ILE 128 -2.369 -13.574 -3.155 947 H LYS 129 H LYS 129 -6.135 -16.257 -7.572 948 HA LYS 129 HA LYS 129 -7.093 -16.204 -9.627 949 1HB LYS 129 2HB LYS 129 -4.557 -14.718 -10.330 950 2HB LYS 129 1HB LYS 129 -5.902 -14.929 -11.443 951 1HG LYS 129 2HG LYS 129 -6.163 -13.597 -8.758 952 2HG LYS 129 1HG LYS 129 -5.818 -12.730 -10.255 953 1HD LYS 129 2HD LYS 129 -8.241 -14.460 -9.761 954 2HD LYS 129 1HD LYS 129 -8.216 -12.696 -9.676 955 1HE LYS 129 2HE LYS 129 -7.430 -12.691 -12.060 956 2HE LYS 129 1HE LYS 129 -7.723 -14.428 -12.095 957 1HZ LYS 129 1HZ LYS 129 -9.562 -13.038 -12.986 958 2HZ LYS 129 2HZ LYS 129 -9.810 -12.433 -11.422 959 3HZ LYS 129 3HZ LYS 129 -10.028 -14.085 -11.736 960 H HIS 130 H HIS 130 -6.492 -18.574 -9.223 961 HA HIS 130 HA HIS 130 -5.136 -19.597 -11.591 962 1HB HIS 130 2HB HIS 130 -3.414 -19.529 -9.828 963 2HB HIS 130 1HB HIS 130 -4.462 -20.458 -8.765 964 HD1 HIS 130 1HD HIS 130 -2.650 -20.852 -12.082 965 HD2 HIS 130 2HD HIS 130 -4.133 -23.141 -8.940 966 HE1 HIS 130 1HE HIS 130 -1.860 -23.203 -12.518 967 HE2 HIS 130 2HE HIS 130 -2.564 -24.509 -10.479 Start of MODEL 13 1 1H MET 1 1HT MET 1 -24.690 -5.641 2.090 2 2H MET 1 2HT MET 1 -23.196 -6.420 1.889 3 3H MET 1 3HT MET 1 -24.222 -6.190 0.555 4 HA MET 1 HA MET 1 -23.965 -3.829 0.670 5 1HB MET 1 2HB MET 1 -23.655 -3.712 3.129 6 2HB MET 1 1HB MET 1 -22.046 -4.398 2.945 7 1HG MET 1 2HG MET 1 -21.434 -2.448 1.544 8 2HG MET 1 1HG MET 1 -23.015 -1.753 1.891 9 1HE MET 1 1HE MET 1 -20.642 0.490 4.019 10 2HE MET 1 2HE MET 1 -21.886 0.447 2.768 11 3HE MET 1 3HE MET 1 -20.283 -0.214 2.442 12 H SER 2 H SER 2 -21.919 -6.566 0.788 13 HA SER 2 HA SER 2 -20.537 -7.335 -0.852 14 1HB SER 2 2HB SER 2 -20.341 -4.485 -1.844 15 2HB SER 2 1HB SER 2 -19.565 -5.879 -2.594 16 HG SER 2 HG SER 2 -22.283 -6.154 -2.165 17 H ILE 3 H ILE 3 -19.252 -7.927 0.806 18 HA ILE 3 HA ILE 3 -17.636 -6.259 2.343 19 HB ILE 3 HB ILE 3 -17.174 -9.167 1.698 20 1HG1 ILE 3 2HG1 ILE 3 -18.824 -7.812 3.839 21 2HG1 ILE 3 1HG1 ILE 3 -19.391 -8.906 2.585 22 1HG2 ILE 3 1HG2 ILE 3 -15.956 -9.246 3.811 23 2HG2 ILE 3 2HG2 ILE 3 -16.194 -7.511 4.020 24 3HG2 ILE 3 3HG2 ILE 3 -15.211 -8.112 2.684 25 1HD1 ILE 3 1HD1 ILE 3 -18.112 -10.720 3.633 26 2HD1 ILE 3 2HD1 ILE 3 -19.327 -10.031 4.706 27 3HD1 ILE 3 3HD1 ILE 3 -17.627 -9.610 4.914 28 H PHE 4 H PHE 4 -16.995 -7.786 -0.765 29 HA PHE 4 HA PHE 4 -14.223 -7.360 -0.822 30 1HB PHE 4 2HB PHE 4 -14.454 -7.467 -3.319 31 2HB PHE 4 1HB PHE 4 -15.154 -8.826 -2.453 32 HD1 PHE 4 1HD PHE 4 -17.469 -9.312 -2.589 33 HD2 PHE 4 2HD PHE 4 -15.928 -5.755 -4.341 34 HE1 PHE 4 1HE PHE 4 -19.588 -8.992 -3.797 35 HE2 PHE 4 2HE PHE 4 -18.046 -5.428 -5.548 36 HZ PHE 4 HZ PHE 4 -19.878 -7.049 -5.278 37 H GLY 5 H GLY 5 -16.891 -5.193 -1.372 38 1HA GLY 5 2HA GLY 5 -15.183 -3.086 -2.407 39 2HA GLY 5 1HA GLY 5 -16.904 -2.960 -2.062 40 H LYS 6 H LYS 6 -16.329 -4.214 0.623 41 HA LYS 6 HA LYS 6 -15.947 -1.737 2.038 42 1HB LYS 6 2HB LYS 6 -16.431 -4.562 3.014 43 2HB LYS 6 1HB LYS 6 -16.414 -3.134 4.041 44 1HG LYS 6 2HG LYS 6 -18.395 -2.306 3.147 45 2HG LYS 6 1HG LYS 6 -18.263 -3.294 1.692 46 1HD LYS 6 2HD LYS 6 -20.012 -4.184 3.101 47 2HD LYS 6 1HD LYS 6 -18.657 -5.308 3.068 48 1HE LYS 6 2HE LYS 6 -19.581 -5.065 5.317 49 2HE LYS 6 1HE LYS 6 -17.906 -4.530 5.231 50 1HZ LYS 6 1HZ LYS 6 -19.363 -3.053 6.542 51 2HZ LYS 6 2HZ LYS 6 -20.244 -2.696 5.140 52 3HZ LYS 6 3HZ LYS 6 -18.611 -2.254 5.248 53 H ILE 7 H ILE 7 -14.150 -4.713 1.490 54 HA ILE 7 HA ILE 7 -12.090 -4.037 3.375 55 HB ILE 7 HB ILE 7 -10.868 -5.978 2.459 56 1HG1 ILE 7 2HG1 ILE 7 -13.273 -6.302 0.650 57 2HG1 ILE 7 1HG1 ILE 7 -11.683 -5.774 0.124 58 1HG2 ILE 7 1HG2 ILE 7 -12.438 -6.282 4.283 59 2HG2 ILE 7 2HG2 ILE 7 -12.449 -7.687 3.218 60 3HG2 ILE 7 3HG2 ILE 7 -13.758 -6.508 3.135 61 1HD1 ILE 7 1HD1 ILE 7 -10.750 -7.927 0.818 62 2HD1 ILE 7 2HD1 ILE 7 -12.015 -8.098 -0.400 63 3HD1 ILE 7 3HD1 ILE 7 -12.364 -8.455 1.294 64 H MET 8 H MET 8 -12.572 -3.643 -0.083 65 HA MET 8 HA MET 8 -9.853 -3.135 -0.707 66 1HB MET 8 2HB MET 8 -10.642 -2.352 -2.863 67 2HB MET 8 1HB MET 8 -11.462 -3.835 -2.415 68 1HG MET 8 2HG MET 8 -13.148 -2.548 -3.318 69 2HG MET 8 1HG MET 8 -13.352 -2.315 -1.587 70 1HE MET 8 1HE MET 8 -10.659 -0.700 -3.983 71 2HE MET 8 2HE MET 8 -11.475 0.799 -4.426 72 3HE MET 8 3HE MET 8 -12.127 -0.749 -4.960 73 H SER 9 H SER 9 -12.128 -1.310 0.953 74 HA SER 9 HA SER 9 -11.378 1.300 0.120 75 1HB SER 9 2HB SER 9 -13.510 0.689 1.344 76 2HB SER 9 1HB SER 9 -12.540 0.515 2.806 77 HG SER 9 HG SER 9 -13.161 2.826 1.330 78 H ALA 10 H ALA 10 -10.040 -1.042 2.280 79 HA ALA 10 HA ALA 10 -8.176 0.905 3.417 80 1HB ALA 10 1HB ALA 10 -9.235 -0.643 4.974 81 2HB ALA 10 2HB ALA 10 -7.492 -0.905 4.912 82 3HB ALA 10 3HB ALA 10 -8.580 -2.011 4.073 83 H ILE 11 H ILE 11 -8.232 -2.071 1.495 84 HA ILE 11 HA ILE 11 -5.472 -2.403 1.177 85 HB ILE 11 HB ILE 11 -7.665 -3.158 -0.766 86 1HG1 ILE 11 2HG1 ILE 11 -6.324 -4.779 1.413 87 2HG1 ILE 11 1HG1 ILE 11 -7.964 -4.142 1.474 88 1HG2 ILE 11 1HG2 ILE 11 -6.051 -4.812 -1.611 89 2HG2 ILE 11 2HG2 ILE 11 -4.816 -4.127 -0.551 90 3HG2 ILE 11 3HG2 ILE 11 -5.502 -3.152 -1.853 91 1HD1 ILE 11 1HD1 ILE 11 -7.967 -6.496 0.914 92 2HD1 ILE 11 2HD1 ILE 11 -6.938 -6.184 -0.486 93 3HD1 ILE 11 3HD1 ILE 11 -8.579 -5.535 -0.433 94 H PHE 12 H PHE 12 -7.823 -0.652 -0.819 95 HA PHE 12 HA PHE 12 -5.639 0.327 -2.502 96 1HB PHE 12 2HB PHE 12 -8.639 0.370 -2.861 97 2HB PHE 12 1HB PHE 12 -7.514 1.150 -3.968 98 HD1 PHE 12 1HD PHE 12 -8.840 -2.050 -2.777 99 HD2 PHE 12 2HD PHE 12 -6.075 -0.157 -5.405 100 HE1 PHE 12 1HE PHE 12 -8.551 -4.164 -3.998 101 HE2 PHE 12 2HE PHE 12 -5.784 -2.271 -6.626 102 HZ PHE 12 HZ PHE 12 -7.022 -4.275 -5.924 103 H GLY 13 H GLY 13 -6.585 1.238 0.298 104 1HA GLY 13 2HA GLY 13 -6.798 4.105 -0.384 105 2HA GLY 13 1HA GLY 13 -7.590 3.393 1.015 106 H ASP 14 H ASP 14 -4.307 3.296 -0.364 107 HA ASP 14 HA ASP 14 -3.175 3.369 2.276 108 1HB ASP 14 2HB ASP 14 -1.012 3.191 1.065 109 2HB ASP 14 1HB ASP 14 -2.149 1.919 0.652 110 H SER 15 H SER 15 -1.412 5.124 -0.111 111 HA SER 15 HA SER 15 -0.852 7.279 -0.436 112 1HB SER 15 2HB SER 15 -3.331 7.641 -0.544 113 2HB SER 15 1HB SER 15 -3.298 8.043 1.172 114 HG SER 15 HG SER 15 -2.073 9.417 -0.983 115 H ALA 16 H ALA 16 -2.088 6.941 2.886 116 HA ALA 16 HA ALA 16 -0.132 8.837 3.858 117 1HB ALA 16 1HB ALA 16 -2.407 8.855 4.753 118 2HB ALA 16 2HB ALA 16 -1.216 8.557 6.020 119 3HB ALA 16 3HB ALA 16 -2.174 7.222 5.378 120 H ALA 17 H ALA 17 1.483 7.192 2.923 121 HA ALA 17 HA ALA 17 3.352 5.992 3.364 122 1HB ALA 17 1HB ALA 17 4.156 5.852 5.667 123 2HB ALA 17 2HB ALA 17 2.581 6.399 6.247 124 3HB ALA 17 3HB ALA 17 3.585 7.472 5.272 125 H ALA 18 H ALA 18 0.494 4.742 3.444 126 HA ALA 18 HA ALA 18 0.993 2.268 4.849 127 1HB ALA 18 1HB ALA 18 -1.265 2.988 2.979 128 2HB ALA 18 2HB ALA 18 -1.271 3.219 4.727 129 3HB ALA 18 3HB ALA 18 -1.198 1.592 4.053 130 H SER 19 H SER 19 1.761 3.558 1.842 131 HA SER 19 HA SER 19 1.769 1.132 0.332 132 1HB SER 19 2HB SER 19 3.256 2.613 -1.204 133 2HB SER 19 1HB SER 19 1.563 3.057 -0.983 134 HG SER 19 HG SER 19 2.420 4.916 -0.475 135 HA PRO 20 HA PRO 20 5.459 -0.743 1.795 136 1HB PRO 20 2HB PRO 20 6.423 -1.764 -0.588 137 2HB PRO 20 1HB PRO 20 5.184 -2.527 0.413 138 1HG PRO 20 2HG PRO 20 4.873 -0.836 -2.030 139 2HG PRO 20 1HG PRO 20 3.975 -2.287 -1.546 140 1HD PRO 20 2HD PRO 20 2.935 0.171 -1.269 141 2HD PRO 20 1HD PRO 20 2.623 -1.110 -0.078 142 H GLY 21 H GLY 21 7.150 0.424 2.415 143 1HA GLY 21 2HA GLY 21 9.110 1.280 0.496 144 2HA GLY 21 1HA GLY 21 8.279 2.619 1.275 145 H GLY 22 H GLY 22 8.670 3.075 3.429 146 1HA GLY 22 2HA GLY 22 9.579 2.524 5.584 147 2HA GLY 22 1HA GLY 22 10.670 1.390 4.792 148 H ALA 23 H ALA 23 12.341 2.292 3.410 149 HA ALA 23 HA ALA 23 14.076 3.654 2.920 150 1HB ALA 23 1HB ALA 23 12.250 5.908 3.744 151 2HB ALA 23 2HB ALA 23 12.339 5.197 2.132 152 3HB ALA 23 3HB ALA 23 13.731 6.051 2.798 153 H GLN 24 H GLN 24 15.456 2.898 4.467 154 HA GLN 24 HA GLN 24 15.870 4.735 6.734 155 1HB GLN 24 2HB GLN 24 16.256 1.732 6.728 156 2HB GLN 24 1HB GLN 24 16.775 2.804 8.023 157 1HG GLN 24 2HG GLN 24 14.473 3.453 8.433 158 2HG GLN 24 1HG GLN 24 13.936 2.424 7.105 159 1HE2 GLN 24 1HE2 GLN 24 13.224 2.336 9.929 160 2HE2 GLN 24 2HE2 GLN 24 13.636 0.735 10.472 161 H ALA 25 H ALA 25 17.889 5.532 6.916 162 HA ALA 25 HA ALA 25 19.736 4.779 4.767 163 1HB ALA 25 1HB ALA 25 20.763 6.958 5.101 164 2HB ALA 25 2HB ALA 25 19.713 7.264 6.484 165 3HB ALA 25 3HB ALA 25 19.023 7.127 4.866 166 HA PRO 26 HA PRO 26 22.516 3.086 7.859 167 1HB PRO 26 2HB PRO 26 24.446 2.830 5.701 168 2HB PRO 26 1HB PRO 26 23.598 1.555 6.579 169 1HG PRO 26 2HG PRO 26 23.128 2.133 3.959 170 2HG PRO 26 1HG PRO 26 21.904 1.446 5.043 171 1HD PRO 26 2HD PRO 26 22.272 4.280 4.144 172 2HD PRO 26 1HD PRO 26 20.773 3.347 4.355 173 H ALA 27 H ALA 27 23.212 4.774 9.101 174 HA ALA 27 HA ALA 27 24.882 6.845 7.884 175 1HB ALA 27 1HB ALA 27 22.971 7.589 9.215 176 2HB ALA 27 2HB ALA 27 24.493 8.104 9.941 177 3HB ALA 27 3HB ALA 27 23.613 6.735 10.619 178 H THR 28 H THR 28 27.011 6.882 8.148 179 HA THR 28 HA THR 28 28.151 5.390 10.410 180 HB THR 28 HB THR 28 28.558 4.175 8.304 181 HG1 THR 28 1HG THR 28 30.193 3.796 9.650 182 1HG2 THR 28 1HG2 THR 28 28.558 6.032 6.729 183 2HG2 THR 28 2HG2 THR 28 30.069 5.128 6.606 184 3HG2 THR 28 3HG2 THR 28 30.032 6.670 7.459 185 H THR 29 H THR 29 30.040 6.271 11.354 186 HA THR 29 HA THR 29 30.068 9.153 11.277 187 HB THR 29 HB THR 29 30.282 7.897 13.407 188 HG1 THR 29 1HG THR 29 31.383 10.077 12.804 189 1HG2 THR 29 1HG2 THR 29 33.016 7.145 12.362 190 2HG2 THR 29 2HG2 THR 29 31.667 6.039 12.630 191 3HG2 THR 29 3HG2 THR 29 32.424 6.857 13.998 192 H GLY 30 H GLY 30 31.489 6.915 9.345 193 1HA GLY 30 2HA GLY 30 34.017 8.380 9.053 194 2HA GLY 30 1HA GLY 30 33.671 6.788 8.398 195 H ALA 31 H ALA 31 31.111 8.972 7.933 196 HA ALA 31 HA ALA 31 32.094 10.017 5.422 197 1HB ALA 31 1HB ALA 31 29.850 7.999 5.429 198 2HB ALA 31 2HB ALA 31 31.467 7.757 4.765 199 3HB ALA 31 3HB ALA 31 30.386 8.946 4.040 200 H ALA 32 H ALA 32 30.292 11.209 4.256 201 HA ALA 32 HA ALA 32 28.262 12.235 6.128 202 1HB ALA 32 1HB ALA 32 30.044 13.903 5.880 203 2HB ALA 32 2HB ALA 32 28.537 14.467 5.158 204 3HB ALA 32 3HB ALA 32 29.839 13.866 4.130 205 H GLY 33 H GLY 33 26.226 12.225 5.326 206 1HA GLY 33 2HA GLY 33 25.905 11.064 2.674 207 2HA GLY 33 1HA GLY 33 24.675 11.177 3.919 208 H THR 34 H THR 34 25.545 12.277 0.960 209 HA THR 34 HA THR 34 24.159 14.831 1.246 210 HB THR 34 HB THR 34 24.595 14.849 -1.334 211 HG1 THR 34 1HG THR 34 25.401 12.910 -1.842 212 1HG2 THR 34 1HG2 THR 34 26.839 15.766 -0.972 213 2HG2 THR 34 2HG2 THR 34 26.867 15.061 0.644 214 3HG2 THR 34 3HG2 THR 34 25.707 16.333 0.257 215 H ALA 35 H ALA 35 22.188 13.713 1.904 216 HA ALA 35 HA ALA 35 20.882 12.161 -0.209 217 1HB ALA 35 1HB ALA 35 21.063 11.078 1.980 218 2HB ALA 35 2HB ALA 35 19.377 11.354 1.538 219 3HB ALA 35 3HB ALA 35 20.166 12.407 2.713 220 HA PRO 36 HA PRO 36 18.186 15.696 -0.754 221 1HB PRO 36 2HB PRO 36 17.026 14.828 -3.031 222 2HB PRO 36 1HB PRO 36 18.648 15.528 -3.006 223 1HG PRO 36 2HG PRO 36 17.811 12.690 -3.251 224 2HG PRO 36 1HG PRO 36 19.221 13.511 -3.938 225 1HD PRO 36 2HD PRO 36 19.203 11.878 -1.664 226 2HD PRO 36 1HD PRO 36 20.503 12.985 -2.144 227 H THR 37 H THR 37 16.754 15.464 0.933 228 HA THR 37 HA THR 37 14.916 13.227 0.968 229 HB THR 37 HB THR 37 15.013 15.563 2.883 230 HG1 THR 37 1HG THR 37 16.687 13.371 2.551 231 1HG2 THR 37 1HG2 THR 37 14.009 13.943 4.450 232 2HG2 THR 37 2HG2 THR 37 13.952 12.742 3.159 233 3HG2 THR 37 3HG2 THR 37 12.984 14.212 3.040 234 H ALA 38 H ALA 38 13.813 13.758 -0.995 235 HA ALA 38 HA ALA 38 11.439 15.307 -0.473 236 1HB ALA 38 1HB ALA 38 13.232 16.107 -2.767 237 2HB ALA 38 2HB ALA 38 12.937 17.056 -1.310 238 3HB ALA 38 3HB ALA 38 11.620 16.743 -2.441 239 HA PRO 39 HA PRO 39 10.629 11.614 -3.023 240 1HB PRO 39 2HB PRO 39 8.141 11.405 -1.556 241 2HB PRO 39 1HB PRO 39 9.525 10.312 -1.539 242 1HG PRO 39 2HG PRO 39 8.791 11.854 0.592 243 2HG PRO 39 1HG PRO 39 10.453 11.312 0.297 244 1HD PRO 39 2HD PRO 39 9.197 13.971 -0.270 245 2HD PRO 39 1HD PRO 39 10.812 13.599 0.370 246 H GLN 40 H GLN 40 10.343 13.669 -4.501 247 HA GLN 40 HA GLN 40 7.587 14.352 -5.010 248 1HB GLN 40 2HB GLN 40 10.121 15.046 -6.501 249 2HB GLN 40 1HB GLN 40 8.525 15.636 -6.940 250 1HG GLN 40 2HG GLN 40 8.340 16.763 -4.790 251 2HG GLN 40 1HG GLN 40 9.933 16.160 -4.329 252 1HE2 GLN 40 1HE2 GLN 40 11.767 17.032 -5.310 253 2HE2 GLN 40 2HE2 GLN 40 11.721 18.510 -6.211 254 HA PRO 41 HA PRO 41 8.253 11.854 -9.024 255 1HB PRO 41 2HB PRO 41 10.734 10.364 -8.893 256 2HB PRO 41 1HB PRO 41 10.237 11.581 -10.069 257 1HG PRO 41 2HG PRO 41 12.237 11.973 -8.257 258 2HG PRO 41 1HG PRO 41 11.251 13.285 -8.926 259 1HD PRO 41 2HD PRO 41 11.023 11.899 -6.284 260 2HD PRO 41 1HD PRO 41 10.858 13.625 -6.670 261 H THR 42 H THR 42 6.629 10.607 -8.120 262 HA THR 42 HA THR 42 7.216 7.833 -7.905 263 HB THR 42 HB THR 42 7.816 8.583 -5.606 264 HG1 THR 42 1HG THR 42 5.565 7.121 -5.050 265 1HG2 THR 42 1HG2 THR 42 6.038 9.267 -4.063 266 2HG2 THR 42 2HG2 THR 42 4.889 9.302 -5.399 267 3HG2 THR 42 3HG2 THR 42 6.240 10.435 -5.369 268 H ALA 43 H ALA 43 5.256 6.561 -7.752 269 HA ALA 43 HA ALA 43 2.699 7.880 -7.982 270 1HB ALA 43 1HB ALA 43 3.866 6.445 -10.368 271 2HB ALA 43 2HB ALA 43 3.567 8.179 -10.244 272 3HB ALA 43 3HB ALA 43 2.213 7.048 -10.234 273 H ALA 44 H ALA 44 1.206 5.873 -9.052 274 HA ALA 44 HA ALA 44 1.946 3.444 -7.606 275 1HB ALA 44 1HB ALA 44 -0.270 3.237 -6.623 276 2HB ALA 44 2HB ALA 44 -0.749 4.774 -7.338 277 3HB ALA 44 3HB ALA 44 0.498 4.733 -6.091 278 HA PRO 45 HA PRO 45 0.295 2.638 -11.827 279 1HB PRO 45 2HB PRO 45 2.309 1.095 -12.690 280 2HB PRO 45 1HB PRO 45 2.432 2.854 -12.694 281 1HG PRO 45 2HG PRO 45 3.556 0.879 -10.747 282 2HG PRO 45 1HG PRO 45 4.312 2.329 -11.430 283 1HD PRO 45 2HD PRO 45 3.165 2.223 -8.942 284 2HD PRO 45 1HD PRO 45 3.323 3.709 -9.901 285 H SER 46 H SER 46 1.237 0.772 -9.146 286 HA SER 46 HA SER 46 -0.782 -1.201 -9.727 287 1HB SER 46 2HB SER 46 2.093 -2.059 -9.284 288 2HB SER 46 1HB SER 46 0.704 -3.134 -9.416 289 HG SER 46 HG SER 46 0.700 -1.533 -11.538 290 H ILE 47 H ILE 47 -1.814 -1.700 -7.880 291 HA ILE 47 HA ILE 47 -0.725 -0.707 -5.371 292 HB ILE 47 HB ILE 47 -3.382 -1.992 -6.022 293 1HG1 ILE 47 2HG1 ILE 47 -3.112 0.238 -6.979 294 2HG1 ILE 47 1HG1 ILE 47 -4.291 0.266 -5.672 295 1HG2 ILE 47 1HG2 ILE 47 -2.442 -0.788 -3.426 296 2HG2 ILE 47 2HG2 ILE 47 -2.784 -2.491 -3.734 297 3HG2 ILE 47 3HG2 ILE 47 -4.090 -1.307 -3.781 298 1HD1 ILE 47 1HD1 ILE 47 -2.830 2.213 -5.619 299 2HD1 ILE 47 2HD1 ILE 47 -1.423 1.161 -5.470 300 3HD1 ILE 47 3HD1 ILE 47 -2.622 1.219 -4.178 301 H ASP 48 H ASP 48 0.768 -2.014 -4.485 302 HA ASP 48 HA ASP 48 0.776 -4.840 -4.993 303 1HB ASP 48 2HB ASP 48 2.807 -3.273 -4.685 304 2HB ASP 48 1HB ASP 48 2.510 -3.451 -2.961 305 H VAL 49 H VAL 49 -0.763 -5.993 -4.029 306 HA VAL 49 HA VAL 49 -1.889 -5.145 -1.517 307 HB VAL 49 HB VAL 49 -2.527 -7.638 -3.103 308 1HG1 VAL 49 1HG1 VAL 49 -3.363 -7.716 -0.826 309 2HG1 VAL 49 2HG1 VAL 49 -4.692 -7.531 -1.971 310 3HG1 VAL 49 3HG1 VAL 49 -4.132 -6.142 -1.041 311 1HG2 VAL 49 1HG2 VAL 49 -2.806 -5.695 -4.523 312 2HG2 VAL 49 2HG2 VAL 49 -3.771 -4.899 -3.279 313 3HG2 VAL 49 3HG2 VAL 49 -4.379 -6.351 -4.075 314 H ALA 50 H ALA 50 0.541 -7.321 -2.526 315 HA ALA 50 HA ALA 50 0.315 -9.399 -0.697 316 1HB ALA 50 1HB ALA 50 1.827 -9.442 -2.623 317 2HB ALA 50 2HB ALA 50 2.643 -9.888 -1.127 318 3HB ALA 50 3HB ALA 50 2.880 -8.281 -1.814 319 HA PRO 51 HA PRO 51 3.191 -7.071 2.418 320 1HB PRO 51 2HB PRO 51 3.405 -4.360 2.103 321 2HB PRO 51 1HB PRO 51 4.590 -5.517 1.484 322 1HG PRO 51 2HG PRO 51 2.353 -4.143 0.049 323 2HG PRO 51 1HG PRO 51 4.013 -4.450 -0.495 324 1HD PRO 51 2HD PRO 51 1.941 -5.958 -1.311 325 2HD PRO 51 1HD PRO 51 3.556 -6.643 -1.051 326 H ILE 52 H ILE 52 0.542 -5.205 0.986 327 HA ILE 52 HA ILE 52 -0.346 -3.845 3.231 328 HB ILE 52 HB ILE 52 -2.005 -4.954 0.959 329 1HG1 ILE 52 2HG1 ILE 52 -0.822 -2.200 1.408 330 2HG1 ILE 52 1HG1 ILE 52 -0.227 -3.399 0.263 331 1HG2 ILE 52 1HG2 ILE 52 -3.688 -3.275 1.592 332 2HG2 ILE 52 2HG2 ILE 52 -2.717 -2.847 3.001 333 3HG2 ILE 52 3HG2 ILE 52 -3.423 -4.457 2.875 334 1HD1 ILE 52 1HD1 ILE 52 -2.302 -3.259 -0.987 335 2HD1 ILE 52 2HD1 ILE 52 -1.562 -1.667 -0.827 336 3HD1 ILE 52 3HD1 ILE 52 -2.945 -2.105 0.180 337 H LEU 53 H LEU 53 -1.431 -7.052 2.057 338 HA LEU 53 HA LEU 53 -3.152 -7.327 4.348 339 1HB LEU 53 2HB LEU 53 -2.435 -9.281 2.171 340 2HB LEU 53 1HB LEU 53 -3.620 -9.585 3.428 341 HG LEU 53 HG LEU 53 -3.774 -7.538 1.222 342 1HD1 LEU 53 1HD1 LEU 53 -4.378 -9.803 0.582 343 2HD1 LEU 53 2HD1 LEU 53 -5.800 -8.761 0.618 344 3HD1 LEU 53 3HD1 LEU 53 -5.506 -9.897 1.934 345 1HD2 LEU 53 1HD2 LEU 53 -4.591 -6.530 3.282 346 2HD2 LEU 53 2HD2 LEU 53 -5.638 -7.923 3.560 347 3HD2 LEU 53 3HD2 LEU 53 -5.921 -6.867 2.176 348 H ASP 54 H ASP 54 0.028 -8.415 3.397 349 HA ASP 54 HA ASP 54 0.399 -10.457 5.278 350 1HB ASP 54 2HB ASP 54 1.980 -10.013 3.431 351 2HB ASP 54 1HB ASP 54 2.466 -8.513 4.215 352 H LYS 55 H LYS 55 1.009 -6.962 5.520 353 HA LYS 55 HA LYS 55 1.918 -7.210 8.243 354 1HB LYS 55 2HB LYS 55 1.134 -4.605 6.960 355 2HB LYS 55 1HB LYS 55 2.339 -4.901 8.202 356 1HG LYS 55 2HG LYS 55 2.529 -5.569 5.280 357 2HG LYS 55 1HG LYS 55 3.472 -4.382 6.178 358 1HD LYS 55 2HD LYS 55 4.726 -6.024 7.263 359 2HD LYS 55 1HD LYS 55 3.543 -7.288 6.916 360 1HE LYS 55 2HE LYS 55 4.096 -7.131 4.525 361 2HE LYS 55 1HE LYS 55 5.319 -5.911 4.902 362 1HZ LYS 55 1HZ LYS 55 5.296 -8.744 5.789 363 2HZ LYS 55 2HZ LYS 55 6.438 -7.592 6.295 364 3HZ LYS 55 3HZ LYS 55 6.355 -8.044 4.663 365 H ALA 56 H ALA 56 -1.084 -6.477 6.612 366 HA ALA 56 HA ALA 56 -2.482 -5.402 8.830 367 1HB ALA 56 1HB ALA 56 -3.283 -5.169 6.523 368 2HB ALA 56 2HB ALA 56 -4.510 -5.898 7.560 369 3HB ALA 56 3HB ALA 56 -3.581 -6.905 6.449 370 H VAL 57 H VAL 57 -1.953 -8.671 7.648 371 HA VAL 57 HA VAL 57 -3.625 -10.039 9.459 372 HB VAL 57 HB VAL 57 -1.174 -10.846 7.901 373 1HG1 VAL 57 1HG1 VAL 57 -1.499 -13.134 8.582 374 2HG1 VAL 57 2HG1 VAL 57 -2.852 -12.671 9.615 375 3HG1 VAL 57 3HG1 VAL 57 -1.217 -12.136 10.009 376 1HG2 VAL 57 1HG2 VAL 57 -4.085 -11.620 7.713 377 2HG2 VAL 57 2HG2 VAL 57 -2.792 -12.219 6.673 378 3HG2 VAL 57 3HG2 VAL 57 -3.230 -10.511 6.640 379 H LYS 58 H LYS 58 -0.216 -9.099 9.627 380 HA LYS 58 HA LYS 58 0.195 -10.273 12.206 381 1HB LYS 58 2HB LYS 58 1.812 -8.326 10.563 382 2HB LYS 58 1HB LYS 58 2.362 -9.022 12.085 383 1HG LYS 58 2HG LYS 58 2.561 -11.145 11.195 384 2HG LYS 58 1HG LYS 58 1.452 -10.800 9.868 385 1HD LYS 58 2HD LYS 58 3.100 -9.388 8.807 386 2HD LYS 58 1HD LYS 58 4.203 -9.604 10.174 387 1HE LYS 58 2HE LYS 58 4.430 -11.944 9.693 388 2HE LYS 58 1HE LYS 58 3.182 -11.857 8.452 389 1HZ LYS 58 1HZ LYS 58 5.460 -11.877 7.547 390 2HZ LYS 58 2HZ LYS 58 5.773 -10.407 8.331 391 3HZ LYS 58 3HZ LYS 58 4.591 -10.487 7.110 392 H ALA 59 H ALA 59 -1.259 -7.414 11.132 393 HA ALA 59 HA ALA 59 -0.935 -6.089 13.710 394 1HB ALA 59 1HB ALA 59 -2.467 -5.227 11.254 395 2HB ALA 59 2HB ALA 59 -0.852 -4.691 11.716 396 3HB ALA 59 3HB ALA 59 -2.239 -4.264 12.716 397 H LYS 60 H LYS 60 -2.889 -8.384 12.275 398 HA LYS 60 HA LYS 60 -5.356 -7.712 13.616 399 1HB LYS 60 2HB LYS 60 -5.337 -8.895 11.433 400 2HB LYS 60 1HB LYS 60 -4.523 -10.254 12.195 401 1HG LYS 60 2HG LYS 60 -6.848 -10.762 11.976 402 2HG LYS 60 1HG LYS 60 -6.472 -10.533 13.685 403 1HD LYS 60 2HD LYS 60 -7.293 -8.179 13.465 404 2HD LYS 60 1HD LYS 60 -7.830 -8.581 11.832 405 1HE LYS 60 2HE LYS 60 -9.710 -8.811 13.268 406 2HE LYS 60 1HE LYS 60 -9.175 -10.434 12.829 407 1HZ LYS 60 1HZ LYS 60 -8.401 -9.082 15.354 408 2HZ LYS 60 2HZ LYS 60 -8.166 -10.711 14.939 409 3HZ LYS 60 3HZ LYS 60 -9.729 -10.129 15.220 410 H GLY 61 H GLY 61 -2.907 -10.274 13.857 411 1HA GLY 61 2HA GLY 61 -2.599 -10.224 16.588 412 2HA GLY 61 1HA GLY 61 -3.964 -11.295 16.313 413 H GLU 62 H GLU 62 -3.464 -12.890 14.391 414 HA GLU 62 HA GLU 62 -0.792 -14.017 14.906 415 1HB GLU 62 2HB GLU 62 -1.819 -16.268 14.673 416 2HB GLU 62 1HB GLU 62 -2.401 -15.376 16.070 417 1HG GLU 62 2HG GLU 62 -4.439 -14.794 14.842 418 2HG GLU 62 1HG GLU 62 -3.850 -15.705 13.451 419 H LYS 63 H LYS 63 -0.622 -16.000 13.111 420 HA LYS 63 HA LYS 63 -0.572 -14.467 10.631 421 1HB LYS 63 2HB LYS 63 1.464 -15.658 11.567 422 2HB LYS 63 1HB LYS 63 0.673 -17.163 11.129 423 1HG LYS 63 2HG LYS 63 1.035 -15.054 9.055 424 2HG LYS 63 1HG LYS 63 2.407 -16.055 9.531 425 1HD LYS 63 2HD LYS 63 -0.248 -17.064 8.512 426 2HD LYS 63 1HD LYS 63 1.251 -16.985 7.582 427 1HE LYS 63 2HE LYS 63 2.290 -18.463 9.304 428 2HE LYS 63 1HE LYS 63 0.698 -18.652 10.027 429 1HZ LYS 63 1HZ LYS 63 1.387 -19.393 7.231 430 2HZ LYS 63 2HZ LYS 63 -0.109 -19.633 7.992 431 3HZ LYS 63 3HZ LYS 63 1.264 -20.484 8.525 432 H LEU 64 H LEU 64 -2.175 -14.656 9.287 433 HA LEU 64 HA LEU 64 -3.758 -17.129 9.202 434 1HB LEU 64 2HB LEU 64 -4.563 -14.392 8.214 435 2HB LEU 64 1HB LEU 64 -5.595 -15.788 8.444 436 HG LEU 64 HG LEU 64 -4.227 -14.308 10.691 437 1HD1 LEU 64 1HD1 LEU 64 -7.076 -14.162 9.718 438 2HD1 LEU 64 2HD1 LEU 64 -5.868 -12.881 9.609 439 3HD1 LEU 64 3HD1 LEU 64 -6.452 -13.411 11.187 440 1HD2 LEU 64 1HD2 LEU 64 -4.706 -16.637 11.216 441 2HD2 LEU 64 2HD2 LEU 64 -6.377 -16.424 10.690 442 3HD2 LEU 64 3HD2 LEU 64 -5.783 -15.562 12.110 443 H GLU 65 H GLU 65 -4.661 -17.642 7.000 444 HA GLU 65 HA GLU 65 -2.545 -17.251 5.012 445 1HB GLU 65 2HB GLU 65 -4.866 -19.133 4.686 446 2HB GLU 65 1HB GLU 65 -3.278 -19.211 3.942 447 1HG GLU 65 2HG GLU 65 -3.929 -19.756 6.820 448 2HG GLU 65 1HG GLU 65 -3.560 -20.950 5.583 449 H TRP 66 H TRP 66 -3.315 -15.029 4.530 450 HA TRP 66 HA TRP 66 -5.923 -14.698 3.418 451 1HB TRP 66 2HB TRP 66 -5.249 -12.462 2.796 452 2HB TRP 66 1HB TRP 66 -4.689 -12.806 4.421 453 HD1 TRP 66 HD TRP 66 -2.122 -12.605 4.883 454 HE1 TRP 66 1HE TRP 66 -0.125 -11.749 3.486 455 HE3 TRP 66 3HE TRP 66 -4.342 -12.489 0.273 456 HZ2 TRP 66 2HZ TRP 66 0.428 -11.143 0.790 457 HZ3 TRP 66 3HZ TRP 66 -3.011 -11.752 -1.662 458 HH2 TRP 66 HH TRP 66 -0.676 -11.096 -1.403 459 H ARG 67 H ARG 67 -3.266 -16.252 2.312 460 HA ARG 67 HA ARG 67 -3.280 -15.479 -0.440 461 1HB ARG 67 2HB ARG 67 -2.009 -17.772 1.045 462 2HB ARG 67 1HB ARG 67 -1.814 -17.524 -0.685 463 1HG ARG 67 2HG ARG 67 -0.781 -15.361 -0.280 464 2HG ARG 67 1HG ARG 67 -1.017 -15.565 1.458 465 1HD ARG 67 2HD ARG 67 0.550 -17.293 1.585 466 2HD ARG 67 1HD ARG 67 0.496 -17.587 -0.153 467 HE ARG 67 HE ARG 67 1.551 -15.024 0.777 468 1HH1 ARG 67 1HH1 ARG 67 2.165 -18.238 -0.451 469 2HH1 ARG 67 2HH1 ARG 67 3.715 -17.826 -1.138 470 1HH2 ARG 67 1HH2 ARG 67 3.620 -14.480 -0.095 471 2HH2 ARG 67 2HH2 ARG 67 4.531 -15.690 -0.948 472 H THR 68 H THR 68 -5.112 -17.723 1.451 473 HA THR 68 HA THR 68 -6.406 -18.608 -1.012 474 HB THR 68 HB THR 68 -4.694 -20.318 -0.318 475 HG1 THR 68 1HG THR 68 -6.475 -22.066 -0.344 476 1HG2 THR 68 1HG2 THR 68 -5.286 -21.836 1.524 477 2HG2 THR 68 2HG2 THR 68 -6.613 -20.763 1.971 478 3HG2 THR 68 3HG2 THR 68 -4.945 -20.204 2.097 479 H SER 69 H SER 69 -6.559 -18.099 2.452 480 HA SER 69 HA SER 69 -9.342 -18.902 2.550 481 1HB SER 69 2HB SER 69 -7.525 -17.793 4.703 482 2HB SER 69 1HB SER 69 -9.158 -18.407 4.960 483 HG SER 69 HG SER 69 -7.957 -20.149 5.361 484 H ILE 70 H ILE 70 -10.876 -17.563 1.981 485 HA ILE 70 HA ILE 70 -10.366 -14.758 1.628 486 HB ILE 70 HB ILE 70 -11.806 -16.087 0.090 487 1HG1 ILE 70 2HG1 ILE 70 -13.550 -14.354 -0.163 488 2HG1 ILE 70 1HG1 ILE 70 -13.127 -13.716 1.422 489 1HG2 ILE 70 1HG2 ILE 70 -13.781 -16.020 2.365 490 2HG2 ILE 70 2HG2 ILE 70 -12.964 -17.451 1.735 491 3HG2 ILE 70 3HG2 ILE 70 -14.112 -16.574 0.722 492 1HD1 ILE 70 1HD1 ILE 70 -11.340 -13.815 -0.992 493 2HD1 ILE 70 2HD1 ILE 70 -10.869 -13.232 0.603 494 3HD1 ILE 70 3HD1 ILE 70 -12.118 -12.383 -0.312 495 H VAL 71 H VAL 71 -11.767 -16.758 4.068 496 HA VAL 71 HA VAL 71 -13.302 -14.721 5.361 497 HB VAL 71 HB VAL 71 -12.299 -17.337 6.501 498 1HG1 VAL 71 1HG1 VAL 71 -13.042 -15.806 8.223 499 2HG1 VAL 71 2HG1 VAL 71 -14.209 -17.115 8.037 500 3HG1 VAL 71 3HG1 VAL 71 -14.552 -15.523 7.359 501 1HG2 VAL 71 1HG2 VAL 71 -14.896 -16.720 5.096 502 2HG2 VAL 71 2HG2 VAL 71 -14.475 -18.250 5.870 503 3HG2 VAL 71 3HG2 VAL 71 -13.574 -17.697 4.460 504 H ASP 72 H ASP 72 -10.015 -15.887 5.598 505 HA ASP 72 HA ASP 72 -9.565 -14.655 8.153 506 1HB ASP 72 2HB ASP 72 -7.770 -16.137 6.258 507 2HB ASP 72 1HB ASP 72 -7.156 -15.356 7.712 508 H LEU 73 H LEU 73 -8.867 -13.811 4.791 509 HA LEU 73 HA LEU 73 -7.391 -11.480 5.582 510 1HB LEU 73 2HB LEU 73 -7.551 -10.767 3.251 511 2HB LEU 73 1HB LEU 73 -6.999 -12.423 3.377 512 HG LEU 73 HG LEU 73 -9.537 -12.980 2.944 513 1HD1 LEU 73 1HD1 LEU 73 -10.345 -10.679 3.011 514 2HD1 LEU 73 2HD1 LEU 73 -10.578 -11.380 1.409 515 3HD1 LEU 73 3HD1 LEU 73 -9.255 -10.247 1.691 516 1HD2 LEU 73 1HD2 LEU 73 -9.038 -13.066 0.546 517 2HD2 LEU 73 2HD2 LEU 73 -7.690 -13.650 1.523 518 3HD2 LEU 73 3HD2 LEU 73 -7.630 -12.037 0.810 519 H MET 74 H MET 74 -10.680 -12.323 4.957 520 HA MET 74 HA MET 74 -11.931 -9.859 4.822 521 1HB MET 74 2HB MET 74 -13.081 -11.969 4.446 522 2HB MET 74 1HB MET 74 -12.846 -12.432 6.124 523 1HG MET 74 2HG MET 74 -14.243 -10.483 6.778 524 2HG MET 74 1HG MET 74 -14.584 -10.228 5.067 525 1HE MET 74 1HE MET 74 -14.592 -13.346 4.131 526 2HE MET 74 2HE MET 74 -15.752 -12.166 3.521 527 3HE MET 74 3HE MET 74 -16.317 -13.695 4.195 528 H LYS 75 H LYS 75 -11.252 -11.835 7.703 529 HA LYS 75 HA LYS 75 -12.260 -9.914 9.527 530 1HB LYS 75 2HB LYS 75 -11.293 -11.331 11.266 531 2HB LYS 75 1HB LYS 75 -12.114 -12.313 10.064 532 1HG LYS 75 2HG LYS 75 -9.896 -12.743 9.008 533 2HG LYS 75 1HG LYS 75 -9.149 -11.910 10.369 534 1HD LYS 75 2HD LYS 75 -9.035 -14.241 10.825 535 2HD LYS 75 1HD LYS 75 -10.281 -13.569 11.879 536 1HE LYS 75 2HE LYS 75 -12.014 -14.515 10.632 537 2HE LYS 75 1HE LYS 75 -10.988 -14.762 9.219 538 1HZ LYS 75 1HZ LYS 75 -10.824 -16.249 11.791 539 2HZ LYS 75 2HZ LYS 75 -9.763 -16.455 10.476 540 3HZ LYS 75 3HZ LYS 75 -11.400 -16.856 10.312 541 H ALA 76 H ALA 76 -9.089 -10.561 8.174 542 HA ALA 76 HA ALA 76 -7.472 -9.199 9.994 543 1HB ALA 76 1HB ALA 76 -6.569 -10.695 8.320 544 2HB ALA 76 2HB ALA 76 -5.819 -9.105 8.184 545 3HB ALA 76 3HB ALA 76 -7.063 -9.596 7.033 546 H LEU 77 H LEU 77 -9.172 -7.983 7.109 547 HA LEU 77 HA LEU 77 -8.120 -5.364 7.253 548 1HB LEU 77 2HB LEU 77 -10.501 -6.580 5.931 549 2HB LEU 77 1HB LEU 77 -10.434 -4.835 6.071 550 HG LEU 77 HG LEU 77 -9.613 -5.423 3.914 551 1HD1 LEU 77 1HD1 LEU 77 -7.335 -4.540 3.967 552 2HD1 LEU 77 2HD1 LEU 77 -7.285 -4.781 5.713 553 3HD1 LEU 77 3HD1 LEU 77 -8.416 -3.620 5.017 554 1HD2 LEU 77 1HD2 LEU 77 -9.072 -7.743 4.255 555 2HD2 LEU 77 2HD2 LEU 77 -7.734 -7.310 5.319 556 3HD2 LEU 77 3HD2 LEU 77 -7.664 -6.904 3.604 557 H ASP 78 H ASP 78 -11.510 -6.224 7.981 558 HA ASP 78 HA ASP 78 -11.570 -5.220 10.595 559 1HB ASP 78 2HB ASP 78 -11.056 -3.074 9.370 560 2HB ASP 78 1HB ASP 78 -12.613 -3.222 8.565 561 H ILE 79 H ILE 79 -12.668 -7.406 9.149 562 HA ILE 79 HA ILE 79 -15.540 -6.726 9.152 563 HB ILE 79 HB ILE 79 -14.213 -8.855 7.461 564 1HG1 ILE 79 2HG1 ILE 79 -13.658 -6.576 6.701 565 2HG1 ILE 79 1HG1 ILE 79 -14.718 -7.393 5.559 566 1HG2 ILE 79 1HG2 ILE 79 -16.389 -9.051 6.372 567 2HG2 ILE 79 2HG2 ILE 79 -17.059 -7.847 7.471 568 3HG2 ILE 79 3HG2 ILE 79 -16.518 -9.404 8.095 569 1HD1 ILE 79 1HD1 ILE 79 -16.630 -6.165 6.463 570 2HD1 ILE 79 2HD1 ILE 79 -15.378 -5.080 5.855 571 3HD1 ILE 79 3HD1 ILE 79 -15.556 -5.338 7.593 572 H ASP 80 H ASP 80 -16.983 -8.205 9.998 573 HA ASP 80 HA ASP 80 -16.227 -9.398 12.397 574 1HB ASP 80 2HB ASP 80 -18.679 -10.065 10.759 575 2HB ASP 80 1HB ASP 80 -18.483 -10.289 12.494 576 H SER 81 H SER 81 -16.572 -10.781 9.213 577 HA SER 81 HA SER 81 -16.143 -12.771 8.266 578 1HB SER 81 2HB SER 81 -14.199 -14.034 9.035 579 2HB SER 81 1HB SER 81 -13.859 -12.305 9.037 580 HG SER 81 HG SER 81 -14.662 -12.631 11.399 581 H SER 82 H SER 82 -18.089 -12.600 10.675 582 HA SER 82 HA SER 82 -18.245 -15.421 11.380 583 1HB SER 82 2HB SER 82 -18.615 -13.619 13.103 584 2HB SER 82 1HB SER 82 -20.079 -13.158 12.233 585 HG SER 82 HG SER 82 -19.562 -15.399 13.818 586 H LEU 83 H LEU 83 -21.108 -15.544 11.597 587 HA LEU 83 HA LEU 83 -21.714 -16.698 9.144 588 1HB LEU 83 2HB LEU 83 -22.878 -17.034 11.376 589 2HB LEU 83 1HB LEU 83 -23.768 -15.565 11.042 590 HG LEU 83 HG LEU 83 -24.998 -17.706 10.561 591 1HD1 LEU 83 1HD1 LEU 83 -24.600 -15.861 8.212 592 2HD1 LEU 83 2HD1 LEU 83 -25.723 -15.614 9.550 593 3HD1 LEU 83 3HD1 LEU 83 -25.955 -16.965 8.441 594 1HD2 LEU 83 1HD2 LEU 83 -23.196 -19.029 9.669 595 2HD2 LEU 83 2HD2 LEU 83 -22.984 -17.899 8.331 596 3HD2 LEU 83 3HD2 LEU 83 -24.460 -18.858 8.447 597 H SER 84 H SER 84 -22.657 -13.487 10.364 598 HA SER 84 HA SER 84 -24.270 -12.707 8.229 599 1HB SER 84 2HB SER 84 -22.476 -10.863 9.826 600 2HB SER 84 1HB SER 84 -23.991 -10.451 9.023 601 HG SER 84 HG SER 84 -24.335 -10.754 11.239 602 H ALA 85 H ALA 85 -20.784 -12.715 8.526 603 HA ALA 85 HA ALA 85 -20.313 -10.943 6.334 604 1HB ALA 85 1HB ALA 85 -17.974 -11.511 6.632 605 2HB ALA 85 2HB ALA 85 -18.419 -12.844 7.699 606 3HB ALA 85 3HB ALA 85 -18.736 -11.180 8.188 607 H ARG 86 H ARG 86 -19.911 -14.471 6.759 608 HA ARG 86 HA ARG 86 -19.192 -14.939 4.060 609 1HB ARG 86 2HB ARG 86 -20.240 -16.768 6.215 610 2HB ARG 86 1HB ARG 86 -19.906 -17.347 4.590 611 1HG ARG 86 2HG ARG 86 -17.940 -17.861 5.606 612 2HG ARG 86 1HG ARG 86 -17.561 -16.239 5.032 613 1HD ARG 86 2HD ARG 86 -16.805 -16.336 7.261 614 2HD ARG 86 1HD ARG 86 -18.302 -15.409 7.301 615 HE ARG 86 HE ARG 86 -19.407 -17.405 8.164 616 1HH1 ARG 86 1HH1 ARG 86 -15.914 -17.345 8.265 617 2HH1 ARG 86 2HH1 ARG 86 -15.791 -18.497 9.561 618 1HH2 ARG 86 1HH2 ARG 86 -19.255 -18.928 9.903 619 2HH2 ARG 86 2HH2 ARG 86 -17.677 -19.402 10.464 620 H LYS 87 H LYS 87 -22.190 -14.511 5.677 621 HA LYS 87 HA LYS 87 -23.867 -15.742 3.746 622 1HB LYS 87 2HB LYS 87 -24.571 -15.348 6.070 623 2HB LYS 87 1HB LYS 87 -24.505 -13.613 5.799 624 1HG LYS 87 2HG LYS 87 -26.779 -14.301 5.701 625 2HG LYS 87 1HG LYS 87 -26.267 -13.876 4.068 626 1HD LYS 87 2HD LYS 87 -27.594 -15.899 4.012 627 2HD LYS 87 1HD LYS 87 -25.926 -16.277 3.584 628 1HE LYS 87 2HE LYS 87 -25.508 -17.165 5.770 629 2HE LYS 87 1HE LYS 87 -27.087 -16.622 6.339 630 1HZ LYS 87 1HZ LYS 87 -28.155 -18.176 4.877 631 2HZ LYS 87 2HZ LYS 87 -27.017 -19.008 5.816 632 3HZ LYS 87 3HZ LYS 87 -26.675 -18.643 4.195 633 H GLU 88 H GLU 88 -23.012 -12.307 4.378 634 HA GLU 88 HA GLU 88 -24.634 -11.466 2.176 635 1HB GLU 88 2HB GLU 88 -24.112 -9.253 2.714 636 2HB GLU 88 1HB GLU 88 -24.130 -10.082 4.261 637 1HG GLU 88 2HG GLU 88 -21.974 -9.663 4.654 638 2HG GLU 88 1HG GLU 88 -21.503 -9.946 2.974 639 H LEU 89 H LEU 89 -21.124 -11.851 2.669 640 HA LEU 89 HA LEU 89 -20.298 -10.654 0.284 641 1HB LEU 89 2HB LEU 89 -18.721 -11.225 2.024 642 2HB LEU 89 1HB LEU 89 -19.048 -12.935 1.814 643 HG LEU 89 HG LEU 89 -18.026 -12.885 -0.403 644 1HD1 LEU 89 1HD1 LEU 89 -18.615 -10.614 -1.056 645 2HD1 LEU 89 2HD1 LEU 89 -16.879 -10.882 -1.217 646 3HD1 LEU 89 3HD1 LEU 89 -17.506 -9.966 0.153 647 1HD2 LEU 89 1HD2 LEU 89 -16.584 -13.341 1.487 648 2HD2 LEU 89 2HD2 LEU 89 -16.314 -11.616 1.730 649 3HD2 LEU 89 3HD2 LEU 89 -15.711 -12.405 0.273 650 H ALA 90 H ALA 90 -21.334 -13.951 0.956 651 HA ALA 90 HA ALA 90 -20.734 -14.956 -1.625 652 1HB ALA 90 1HB ALA 90 -20.949 -16.444 0.271 653 2HB ALA 90 2HB ALA 90 -22.122 -16.874 -0.975 654 3HB ALA 90 3HB ALA 90 -22.642 -15.994 0.462 655 H LYS 91 H LYS 91 -23.688 -13.577 -0.181 656 HA LYS 91 HA LYS 91 -25.320 -14.282 -2.416 657 1HB LYS 91 2HB LYS 91 -27.088 -13.088 -1.372 658 2HB LYS 91 1HB LYS 91 -26.189 -13.889 -0.095 659 1HG LYS 91 2HG LYS 91 -25.063 -11.783 0.433 660 2HG LYS 91 1HG LYS 91 -25.984 -10.982 -0.843 661 1HD LYS 91 2HD LYS 91 -28.073 -11.633 0.337 662 2HD LYS 91 1HD LYS 91 -27.087 -12.289 1.646 663 1HE LYS 91 2HE LYS 91 -27.860 -10.065 2.216 664 2HE LYS 91 1HE LYS 91 -26.110 -10.059 1.999 665 1HZ LYS 91 1HZ LYS 91 -26.371 -9.084 -0.161 666 2HZ LYS 91 2HZ LYS 91 -27.244 -8.151 0.956 667 3HZ LYS 91 3HZ LYS 91 -28.061 -9.219 -0.075 668 H GLU 92 H GLU 92 -23.270 -11.569 -1.697 669 HA GLU 92 HA GLU 92 -24.350 -9.780 -3.622 670 1HB GLU 92 2HB GLU 92 -21.483 -9.953 -2.669 671 2HB GLU 92 1HB GLU 92 -22.246 -8.570 -3.436 672 1HG GLU 92 2HG GLU 92 -22.975 -9.707 -0.750 673 2HG GLU 92 1HG GLU 92 -21.978 -8.283 -1.023 674 H LEU 93 H LEU 93 -22.072 -12.434 -3.740 675 HA LEU 93 HA LEU 93 -21.382 -11.913 -6.513 676 1HB LEU 93 2HB LEU 93 -20.615 -14.173 -4.665 677 2HB LEU 93 1HB LEU 93 -19.991 -13.950 -6.289 678 HG LEU 93 HG LEU 93 -19.594 -11.997 -4.017 679 1HD1 LEU 93 1HD1 LEU 93 -18.404 -14.019 -3.535 680 2HD1 LEU 93 2HD1 LEU 93 -17.254 -12.795 -4.075 681 3HD1 LEU 93 3HD1 LEU 93 -17.759 -14.079 -5.173 682 1HD2 LEU 93 1HD2 LEU 93 -18.380 -12.121 -6.775 683 2HD2 LEU 93 2HD2 LEU 93 -17.955 -10.970 -5.508 684 3HD2 LEU 93 3HD2 LEU 93 -19.570 -10.944 -6.217 685 H GLY 94 H GLY 94 -23.156 -14.365 -4.653 686 1HA GLY 94 2HA GLY 94 -25.075 -14.881 -6.613 687 2HA GLY 94 1HA GLY 94 -23.769 -16.036 -6.855 688 H TYR 95 H TYR 95 -22.980 -16.612 -4.349 689 HA TYR 95 HA TYR 95 -23.386 -17.745 -2.434 690 1HB TYR 95 2HB TYR 95 -24.996 -15.959 -1.896 691 2HB TYR 95 1HB TYR 95 -26.255 -16.840 -2.746 692 HD1 TYR 95 1HD TYR 95 -27.367 -18.718 -1.703 693 HD2 TYR 95 2HD TYR 95 -24.125 -16.774 0.244 694 HE1 TYR 95 1HE TYR 95 -27.939 -19.870 0.393 695 HE2 TYR 95 2HE TYR 95 -24.683 -17.924 2.340 696 HH TYR 95 HH TYR 95 -26.864 -20.543 2.470 697 H SER 96 H SER 96 -22.995 -19.786 -2.878 698 HA SER 96 HA SER 96 -25.239 -21.563 -3.328 699 1HB SER 96 2HB SER 96 -22.825 -21.615 -5.168 700 2HB SER 96 1HB SER 96 -24.189 -22.730 -5.211 701 HG SER 96 HG SER 96 -25.262 -20.366 -5.377 702 H GLY 97 H GLY 97 -25.000 -22.983 -1.675 703 1HA GLY 97 2HA GLY 97 -22.298 -24.015 -1.150 704 2HA GLY 97 1HA GLY 97 -23.204 -23.299 0.172 705 H ASP 98 H ASP 98 -22.435 -26.137 -1.357 706 HA ASP 98 HA ASP 98 -24.063 -27.612 0.481 707 1HB ASP 98 2HB ASP 98 -25.633 -27.203 -1.472 708 2HB ASP 98 1HB ASP 98 -24.552 -28.199 -2.442 709 H MET 99 H MET 99 -22.823 -28.588 -2.695 710 HA MET 99 HA MET 99 -21.472 -30.843 -1.584 711 1HB MET 99 2HB MET 99 -20.769 -31.306 -3.876 712 2HB MET 99 1HB MET 99 -22.478 -30.889 -3.830 713 1HG MET 99 2HG MET 99 -22.010 -28.673 -4.634 714 2HG MET 99 1HG MET 99 -20.275 -28.971 -4.552 715 1HE MET 99 1HE MET 99 -21.734 -27.817 -7.124 716 2HE MET 99 2HE MET 99 -20.980 -28.762 -8.409 717 3HE MET 99 3HE MET 99 -20.001 -28.141 -7.080 718 H ASN 100 H ASN 100 -20.602 -27.617 -1.937 719 HA ASN 100 HA ASN 100 -17.818 -27.988 -2.529 720 1HB ASN 100 2HB ASN 100 -17.728 -25.505 -1.977 721 2HB ASN 100 1HB ASN 100 -18.783 -25.971 -3.310 722 1HD2 ASN 100 1HD2 ASN 100 -18.643 -24.821 -0.031 723 2HD2 ASN 100 2HD2 ASN 100 -20.297 -24.330 0.065 724 H ASP 101 H ASP 101 -19.695 -28.142 0.314 725 HA ASP 101 HA ASP 101 -19.210 -28.239 2.545 726 1HB ASP 101 2HB ASP 101 -17.514 -29.928 1.396 727 2HB ASP 101 1HB ASP 101 -16.321 -28.746 1.915 728 H SER 102 H SER 102 -16.969 -27.481 4.028 729 HA SER 102 HA SER 102 -16.952 -24.616 3.695 730 1HB SER 102 2HB SER 102 -15.359 -26.349 5.604 731 2HB SER 102 1HB SER 102 -15.587 -24.605 5.723 732 HG SER 102 HG SER 102 -17.009 -25.901 7.067 733 H ALA 103 H ALA 103 -15.109 -27.243 2.597 734 HA ALA 103 HA ALA 103 -12.531 -26.084 2.474 735 1HB ALA 103 1HB ALA 103 -11.978 -27.959 1.004 736 2HB ALA 103 2HB ALA 103 -13.693 -28.339 0.843 737 3HB ALA 103 3HB ALA 103 -12.899 -28.496 2.410 738 H SER 104 H SER 104 -14.749 -26.841 -0.226 739 HA SER 104 HA SER 104 -13.233 -25.248 -2.041 740 1HB SER 104 2HB SER 104 -16.005 -26.413 -2.393 741 2HB SER 104 1HB SER 104 -14.942 -25.842 -3.679 742 HG SER 104 HG SER 104 -13.428 -27.492 -2.943 743 H MET 105 H MET 105 -15.855 -24.659 0.111 744 HA MET 105 HA MET 105 -17.036 -22.432 -1.133 745 1HB MET 105 2HB MET 105 -18.073 -23.594 0.767 746 2HB MET 105 1HB MET 105 -16.777 -23.042 1.820 747 1HG MET 105 2HG MET 105 -17.467 -20.723 1.442 748 2HG MET 105 1HG MET 105 -18.779 -21.289 0.409 749 1HE MET 105 1HE MET 105 -17.319 -21.192 4.043 750 2HE MET 105 2HE MET 105 -17.463 -22.928 3.767 751 3HE MET 105 3HE MET 105 -18.510 -22.131 4.941 752 H ASN 106 H ASN 106 -14.327 -22.737 1.090 753 HA ASN 106 HA ASN 106 -13.885 -19.959 1.440 754 1HB ASN 106 2HB ASN 106 -13.074 -21.675 3.020 755 2HB ASN 106 1HB ASN 106 -11.984 -22.292 1.784 756 1HD2 ASN 106 1HD2 ASN 106 -10.164 -21.926 2.986 757 2HD2 ASN 106 2HD2 ASN 106 -9.546 -20.347 3.308 758 H ILE 107 H ILE 107 -12.576 -22.390 -0.754 759 HA ILE 107 HA ILE 107 -10.577 -20.680 -1.855 760 HB ILE 107 HB ILE 107 -11.696 -23.247 -2.990 761 1HG1 ILE 107 2HG1 ILE 107 -9.277 -22.784 -1.230 762 2HG1 ILE 107 1HG1 ILE 107 -10.791 -23.503 -0.699 763 1HG2 ILE 107 1HG2 ILE 107 -9.561 -23.367 -4.199 764 2HG2 ILE 107 2HG2 ILE 107 -9.115 -21.789 -3.552 765 3HG2 ILE 107 3HG2 ILE 107 -10.488 -21.936 -4.648 766 1HD1 ILE 107 1HD1 ILE 107 -8.939 -24.648 -2.772 767 2HD1 ILE 107 2HD1 ILE 107 -10.447 -25.374 -2.217 768 3HD1 ILE 107 3HD1 ILE 107 -9.093 -25.191 -1.102 769 H TRP 108 H TRP 108 -13.753 -21.807 -3.012 770 HA TRP 108 HA TRP 108 -13.680 -20.564 -5.527 771 1HB TRP 108 2HB TRP 108 -15.317 -22.265 -5.104 772 2HB TRP 108 1HB TRP 108 -15.994 -21.363 -3.754 773 HD1 TRP 108 HD TRP 108 -15.898 -21.348 -7.602 774 HE1 TRP 108 1HE TRP 108 -17.912 -19.983 -8.464 775 HE3 TRP 108 3HE TRP 108 -17.627 -19.579 -3.133 776 HZ2 TRP 108 2HZ TRP 108 -19.968 -18.374 -7.366 777 HZ3 TRP 108 3HZ TRP 108 -19.620 -18.139 -3.121 778 HH2 TRP 108 HH TRP 108 -20.761 -17.548 -5.194 779 H LEU 109 H LEU 109 -15.062 -19.447 -2.454 780 HA LEU 109 HA LEU 109 -16.077 -17.012 -3.415 781 1HB LEU 109 2HB LEU 109 -16.646 -18.152 -1.243 782 2HB LEU 109 1HB LEU 109 -15.108 -17.600 -0.615 783 HG LEU 109 HG LEU 109 -15.841 -15.254 -0.972 784 1HD1 LEU 109 1HD1 LEU 109 -18.193 -14.801 -1.397 785 2HD1 LEU 109 2HD1 LEU 109 -18.498 -16.523 -1.614 786 3HD1 LEU 109 3HD1 LEU 109 -17.463 -15.658 -2.751 787 1HD2 LEU 109 1HD2 LEU 109 -17.675 -16.915 0.746 788 2HD2 LEU 109 2HD2 LEU 109 -17.375 -15.185 0.911 789 3HD2 LEU 109 3HD2 LEU 109 -16.073 -16.337 1.207 790 H HIS 110 H HIS 110 -12.939 -17.933 -2.113 791 HA HIS 110 HA HIS 110 -11.796 -15.408 -1.795 792 1HB HIS 110 2HB HIS 110 -10.811 -17.556 -0.989 793 2HB HIS 110 1HB HIS 110 -10.391 -17.954 -2.649 794 HD1 HIS 110 1HD HIS 110 -8.243 -17.007 -3.553 795 HD2 HIS 110 2HD HIS 110 -9.310 -15.365 0.110 796 HE1 HIS 110 1HE HIS 110 -6.242 -15.695 -2.795 797 HE2 HIS 110 2HE HIS 110 -6.850 -14.842 -0.506 798 H LYS 111 H LYS 111 -11.823 -17.548 -4.621 799 HA LYS 111 HA LYS 111 -10.146 -15.924 -6.221 800 1HB LYS 111 2HB LYS 111 -12.156 -18.032 -7.028 801 2HB LYS 111 1HB LYS 111 -10.942 -17.338 -8.091 802 1HG LYS 111 2HG LYS 111 -9.170 -18.260 -6.703 803 2HG LYS 111 1HG LYS 111 -10.371 -18.912 -5.587 804 1HD LYS 111 2HD LYS 111 -10.079 -19.667 -8.494 805 2HD LYS 111 1HD LYS 111 -9.516 -20.625 -7.123 806 1HE LYS 111 2HE LYS 111 -11.825 -20.816 -6.316 807 2HE LYS 111 1HE LYS 111 -12.384 -19.870 -7.693 808 1HZ LYS 111 1HZ LYS 111 -11.038 -22.514 -7.819 809 2HZ LYS 111 2HZ LYS 111 -11.524 -21.598 -9.160 810 3HZ LYS 111 3HZ LYS 111 -12.689 -22.217 -8.091 811 H GLN 112 H GLN 112 -13.665 -16.214 -5.957 812 HA GLN 112 HA GLN 112 -14.262 -14.498 -8.116 813 1HB GLN 112 2HB GLN 112 -15.732 -15.880 -6.038 814 2HB GLN 112 1HB GLN 112 -16.386 -14.273 -6.329 815 1HG GLN 112 2HG GLN 112 -17.516 -15.915 -7.698 816 2HG GLN 112 1HG GLN 112 -16.611 -14.787 -8.702 817 1HE2 GLN 112 1HE2 GLN 112 -15.217 -17.480 -6.913 818 2HE2 GLN 112 2HE2 GLN 112 -14.738 -18.388 -8.308 819 H VAL 113 H VAL 113 -13.916 -13.903 -4.635 820 HA VAL 113 HA VAL 113 -14.465 -11.136 -4.713 821 HB VAL 113 HB VAL 113 -12.786 -12.726 -2.759 822 1HG1 VAL 113 1HG1 VAL 113 -13.060 -10.826 -1.235 823 2HG1 VAL 113 2HG1 VAL 113 -13.853 -9.915 -2.520 824 3HG1 VAL 113 3HG1 VAL 113 -12.157 -10.372 -2.680 825 1HG2 VAL 113 1HG2 VAL 113 -15.638 -11.754 -2.653 826 2HG2 VAL 113 2HG2 VAL 113 -14.783 -12.549 -1.329 827 3HG2 VAL 113 3HG2 VAL 113 -15.103 -13.426 -2.827 828 H MET 114 H MET 114 -11.513 -12.998 -5.242 829 HA MET 114 HA MET 114 -9.663 -10.895 -5.274 830 1HB MET 114 2HB MET 114 -9.724 -13.507 -6.777 831 2HB MET 114 1HB MET 114 -8.392 -12.371 -6.927 832 1HG MET 114 2HG MET 114 -7.902 -12.570 -4.579 833 2HG MET 114 1HG MET 114 -9.307 -13.608 -4.344 834 1HE MET 114 1HE MET 114 -5.591 -14.823 -6.805 835 2HE MET 114 2HE MET 114 -5.768 -13.264 -5.997 836 3HE MET 114 3HE MET 114 -6.782 -13.661 -7.384 837 H SER 115 H SER 115 -11.851 -12.083 -7.752 838 HA SER 115 HA SER 115 -10.803 -10.545 -9.888 839 1HB SER 115 2HB SER 115 -12.234 -12.560 -10.191 840 2HB SER 115 1HB SER 115 -13.602 -11.655 -9.549 841 HG SER 115 HG SER 115 -12.836 -10.106 -11.381 842 H LYS 116 H LYS 116 -12.847 -9.802 -7.221 843 HA LYS 116 HA LYS 116 -13.802 -7.325 -8.450 844 1HB LYS 116 2HB LYS 116 -14.358 -8.391 -5.680 845 2HB LYS 116 1HB LYS 116 -15.196 -7.078 -6.493 846 1HG LYS 116 2HG LYS 116 -15.239 -9.976 -7.296 847 2HG LYS 116 1HG LYS 116 -16.528 -9.100 -6.473 848 1HD LYS 116 2HD LYS 116 -16.641 -7.566 -8.444 849 2HD LYS 116 1HD LYS 116 -15.488 -8.625 -9.263 850 1HE LYS 116 2HE LYS 116 -17.033 -10.484 -9.096 851 2HE LYS 116 1HE LYS 116 -18.171 -9.489 -8.190 852 1HZ LYS 116 1HZ LYS 116 -18.268 -8.017 -10.184 853 2HZ LYS 116 2HZ LYS 116 -18.910 -9.566 -10.415 854 3HZ LYS 116 3HZ LYS 116 -17.374 -9.188 -11.034 855 H LEU 117 H LEU 117 -11.165 -8.423 -6.767 856 HA LEU 117 HA LEU 117 -10.764 -5.922 -5.300 857 1HB LEU 117 2HB LEU 117 -9.599 -8.661 -5.050 858 2HB LEU 117 1HB LEU 117 -8.736 -7.279 -4.405 859 HG LEU 117 HG LEU 117 -11.507 -8.161 -3.607 860 1HD1 LEU 117 1HD1 LEU 117 -8.891 -8.200 -2.112 861 2HD1 LEU 117 2HD1 LEU 117 -9.717 -9.609 -2.778 862 3HD1 LEU 117 3HD1 LEU 117 -10.461 -8.685 -1.473 863 1HD2 LEU 117 1HD2 LEU 117 -11.349 -6.391 -1.925 864 2HD2 LEU 117 2HD2 LEU 117 -11.268 -5.728 -3.560 865 3HD2 LEU 117 3HD2 LEU 117 -9.798 -5.887 -2.600 866 H VAL 118 H VAL 118 -8.594 -8.185 -7.012 867 HA VAL 118 HA VAL 118 -6.613 -6.171 -7.279 868 HB VAL 118 HB VAL 118 -5.344 -7.805 -8.594 869 1HG1 VAL 118 1HG1 VAL 118 -6.667 -8.958 -6.140 870 2HG1 VAL 118 2HG1 VAL 118 -5.249 -7.910 -6.170 871 3HG1 VAL 118 3HG1 VAL 118 -5.161 -9.534 -6.852 872 1HG2 VAL 118 1HG2 VAL 118 -6.247 -10.042 -9.013 873 2HG2 VAL 118 2HG2 VAL 118 -7.180 -8.803 -9.854 874 3HG2 VAL 118 3HG2 VAL 118 -7.810 -9.530 -8.376 875 H ALA 119 H ALA 119 -9.347 -6.920 -9.146 876 HA ALA 119 HA ALA 119 -8.466 -6.051 -11.686 877 1HB ALA 119 1HB ALA 119 -10.822 -5.829 -12.237 878 2HB ALA 119 2HB ALA 119 -11.248 -5.946 -10.528 879 3HB ALA 119 3HB ALA 119 -10.529 -7.329 -11.356 880 H ASN 120 H ASN 120 -9.074 -4.363 -8.781 881 HA ASN 120 HA ASN 120 -9.656 -1.826 -10.064 882 1HB ASN 120 2HB ASN 120 -9.114 -2.519 -7.169 883 2HB ASN 120 1HB ASN 120 -9.551 -0.916 -7.743 884 1HD2 ASN 120 1HD2 ASN 120 -10.640 -4.109 -7.048 885 2HD2 ASN 120 2HD2 ASN 120 -12.337 -3.811 -7.217 886 H GLY 121 H GLY 121 -6.943 -3.545 -9.981 887 1HA GLY 121 2HA GLY 121 -4.958 -2.420 -10.884 888 2HA GLY 121 1HA GLY 121 -5.257 -1.128 -9.731 889 H GLY 122 H GLY 122 -5.821 -4.227 -8.498 890 1HA GLY 122 2HA GLY 122 -3.653 -3.978 -6.645 891 2HA GLY 122 1HA GLY 122 -4.831 -5.280 -6.704 892 H LYS 123 H LYS 123 -1.803 -5.021 -6.529 893 HA LYS 123 HA LYS 123 -1.110 -6.911 -8.681 894 1HB LYS 123 2HB LYS 123 0.241 -4.889 -8.747 895 2HB LYS 123 1HB LYS 123 0.623 -5.048 -7.039 896 1HG LYS 123 2HG LYS 123 1.847 -7.133 -7.542 897 2HG LYS 123 1HG LYS 123 1.520 -6.879 -9.258 898 1HD LYS 123 2HD LYS 123 2.732 -4.761 -9.186 899 2HD LYS 123 1HD LYS 123 3.024 -4.976 -7.460 900 1HE LYS 123 2HE LYS 123 4.321 -6.988 -7.919 901 2HE LYS 123 1HE LYS 123 4.008 -6.808 -9.645 902 1HZ LYS 123 1HZ LYS 123 5.198 -4.688 -9.588 903 2HZ LYS 123 2HZ LYS 123 6.188 -5.969 -9.084 904 3HZ LYS 123 3HZ LYS 123 5.532 -4.909 -7.941 905 H LEU 124 H LEU 124 -0.467 -8.919 -8.131 906 HA LEU 124 HA LEU 124 0.228 -9.450 -5.354 907 1HB LEU 124 2HB LEU 124 -1.093 -11.554 -5.347 908 2HB LEU 124 1HB LEU 124 -2.057 -10.100 -5.338 909 HG LEU 124 HG LEU 124 -3.128 -11.789 -6.671 910 1HD1 LEU 124 1HD1 LEU 124 -3.353 -9.482 -7.448 911 2HD1 LEU 124 2HD1 LEU 124 -3.482 -10.661 -8.754 912 3HD1 LEU 124 3HD1 LEU 124 -1.997 -9.735 -8.547 913 1HD2 LEU 124 1HD2 LEU 124 -0.635 -11.894 -8.350 914 2HD2 LEU 124 2HD2 LEU 124 -2.151 -12.723 -8.699 915 3HD2 LEU 124 3HD2 LEU 124 -1.222 -13.153 -7.263 916 HA PRO 125 HA PRO 125 3.418 -12.032 -7.110 917 1HB PRO 125 2HB PRO 125 3.130 -13.743 -4.734 918 2HB PRO 125 1HB PRO 125 4.527 -12.809 -5.273 919 1HG PRO 125 2HG PRO 125 3.077 -12.106 -3.114 920 2HG PRO 125 1HG PRO 125 3.846 -10.906 -4.168 921 1HD PRO 125 2HD PRO 125 0.985 -11.759 -4.036 922 2HD PRO 125 1HD PRO 125 1.669 -10.141 -4.290 923 HA PRO 126 HA PRO 126 1.196 -15.317 -9.037 924 1HB PRO 126 2HB PRO 126 3.711 -16.860 -9.130 925 2HB PRO 126 1HB PRO 126 2.713 -16.252 -10.453 926 1HG PRO 126 2HG PRO 126 5.082 -15.149 -9.885 927 2HG PRO 126 1HG PRO 126 3.709 -14.162 -10.422 928 1HD PRO 126 2HD PRO 126 4.784 -14.565 -7.651 929 2HD PRO 126 1HD PRO 126 4.225 -13.070 -8.435 930 H GLU 127 H GLU 127 2.177 -15.550 -5.973 931 HA GLU 127 HA GLU 127 1.862 -18.419 -5.630 932 1HB GLU 127 2HB GLU 127 2.263 -16.226 -3.590 933 2HB GLU 127 1HB GLU 127 2.262 -17.949 -3.245 934 1HG GLU 127 2HG GLU 127 4.238 -18.206 -4.702 935 2HG GLU 127 1HG GLU 127 4.256 -16.458 -4.939 936 H ILE 128 H ILE 128 0.014 -15.496 -5.434 937 HA ILE 128 HA ILE 128 -2.087 -16.836 -3.902 938 HB ILE 128 HB ILE 128 -1.898 -13.923 -4.718 939 1HG1 ILE 128 2HG1 ILE 128 -1.768 -13.642 -2.169 940 2HG1 ILE 128 1HG1 ILE 128 -1.416 -15.363 -2.107 941 1HG2 ILE 128 1HG2 ILE 128 -3.948 -15.352 -3.027 942 2HG2 ILE 128 2HG2 ILE 128 -4.214 -14.621 -4.610 943 3HG2 ILE 128 3HG2 ILE 128 -3.836 -13.603 -3.219 944 1HD1 ILE 128 1HD1 ILE 128 0.217 -13.295 -3.546 945 2HD1 ILE 128 2HD1 ILE 128 0.588 -15.014 -3.430 946 3HD1 ILE 128 3HD1 ILE 128 0.598 -14.007 -1.982 947 H LYS 129 H LYS 129 -2.621 -18.253 -5.540 948 HA LYS 129 HA LYS 129 -4.880 -17.597 -7.028 949 1HB LYS 129 2HB LYS 129 -3.071 -16.479 -8.465 950 2HB LYS 129 1HB LYS 129 -2.489 -18.096 -8.817 951 1HG LYS 129 2HG LYS 129 -5.316 -17.268 -9.373 952 2HG LYS 129 1HG LYS 129 -4.008 -16.991 -10.521 953 1HD LYS 129 2HD LYS 129 -3.518 -19.433 -10.448 954 2HD LYS 129 1HD LYS 129 -4.956 -19.645 -9.447 955 1HE LYS 129 2HE LYS 129 -6.346 -18.751 -11.218 956 2HE LYS 129 1HE LYS 129 -4.922 -18.450 -12.211 957 1HZ LYS 129 1HZ LYS 129 -5.924 -21.110 -11.340 958 2HZ LYS 129 2HZ LYS 129 -4.502 -20.849 -12.220 959 3HZ LYS 129 3HZ LYS 129 -6.002 -20.465 -12.905 960 H HIS 130 H HIS 130 -5.766 -19.457 -6.307 961 HA HIS 130 HA HIS 130 -4.309 -21.947 -6.846 962 1HB HIS 130 2HB HIS 130 -6.414 -21.289 -4.787 963 2HB HIS 130 1HB HIS 130 -5.976 -22.948 -5.184 964 HD1 HIS 130 1HD HIS 130 -5.522 -21.696 -2.345 965 HD2 HIS 130 2HD HIS 130 -2.644 -21.983 -5.336 966 HE1 HIS 130 1HE HIS 130 -3.304 -21.657 -1.161 967 HE2 HIS 130 2HE HIS 130 -1.605 -22.070 -2.972 Start of MODEL 14 1 1H MET 1 1HT MET 1 -23.512 -7.151 2.513 2 2H MET 1 2HT MET 1 -24.042 -7.715 1.002 3 3H MET 1 3HT MET 1 -25.011 -6.650 1.895 4 HA MET 1 HA MET 1 -23.942 -5.496 0.104 5 1HB MET 1 2HB MET 1 -23.042 -4.853 2.902 6 2HB MET 1 1HB MET 1 -22.602 -3.829 1.542 7 1HG MET 1 2HG MET 1 -25.399 -4.504 2.422 8 2HG MET 1 1HG MET 1 -24.559 -2.973 2.683 9 1HE MET 1 1HE MET 1 -26.564 -1.637 1.591 10 2HE MET 1 2HE MET 1 -27.432 -3.152 1.350 11 3HE MET 1 3HE MET 1 -27.248 -2.017 0.011 12 H SER 2 H SER 2 -21.566 -4.248 0.020 13 HA SER 2 HA SER 2 -20.100 -6.476 -1.116 14 1HB SER 2 2HB SER 2 -18.845 -4.520 -2.270 15 2HB SER 2 1HB SER 2 -20.508 -4.859 -2.756 16 HG SER 2 HG SER 2 -20.538 -2.723 -2.406 17 H ILE 3 H ILE 3 -19.216 -7.221 0.836 18 HA ILE 3 HA ILE 3 -17.657 -5.654 2.561 19 HB ILE 3 HB ILE 3 -17.389 -8.616 2.073 20 1HG1 ILE 3 2HG1 ILE 3 -19.319 -6.980 3.704 21 2HG1 ILE 3 1HG1 ILE 3 -19.666 -8.253 2.542 22 1HG2 ILE 3 1HG2 ILE 3 -16.577 -8.684 4.380 23 2HG2 ILE 3 2HG2 ILE 3 -16.696 -6.927 4.471 24 3HG2 ILE 3 3HG2 ILE 3 -15.549 -7.676 3.362 25 1HD1 ILE 3 1HD1 ILE 3 -18.758 -9.913 4.077 26 2HD1 ILE 3 2HD1 ILE 3 -20.088 -9.005 4.797 27 3HD1 ILE 3 3HD1 ILE 3 -18.424 -8.639 5.250 28 H PHE 4 H PHE 4 -16.886 -7.377 -0.375 29 HA PHE 4 HA PHE 4 -14.088 -7.122 -0.275 30 1HB PHE 4 2HB PHE 4 -14.235 -7.252 -2.807 31 2HB PHE 4 1HB PHE 4 -14.959 -8.584 -1.919 32 HD1 PHE 4 1HD PHE 4 -17.261 -9.064 -2.084 33 HD2 PHE 4 2HD PHE 4 -15.687 -5.535 -3.865 34 HE1 PHE 4 1HE PHE 4 -19.371 -8.744 -3.305 35 HE2 PHE 4 2HE PHE 4 -17.796 -5.208 -5.088 36 HZ PHE 4 HZ PHE 4 -19.641 -6.815 -4.807 37 H GLY 5 H GLY 5 -16.580 -4.814 -0.978 38 1HA GLY 5 2HA GLY 5 -14.698 -2.853 -2.018 39 2HA GLY 5 1HA GLY 5 -16.431 -2.633 -1.815 40 H LYS 6 H LYS 6 -15.960 -3.847 0.980 41 HA LYS 6 HA LYS 6 -15.552 -1.302 2.297 42 1HB LYS 6 2HB LYS 6 -16.304 -4.046 3.336 43 2HB LYS 6 1HB LYS 6 -16.139 -2.625 4.361 44 1HG LYS 6 2HG LYS 6 -18.115 -1.772 3.719 45 2HG LYS 6 1HG LYS 6 -17.903 -2.267 2.041 46 1HD LYS 6 2HD LYS 6 -19.763 -3.479 2.922 47 2HD LYS 6 1HD LYS 6 -18.420 -4.604 2.743 48 1HE LYS 6 2HE LYS 6 -19.401 -5.095 4.820 49 2HE LYS 6 1HE LYS 6 -17.922 -4.208 5.184 50 1HZ LYS 6 1HZ LYS 6 -20.664 -3.064 5.142 51 2HZ LYS 6 2HZ LYS 6 -19.244 -2.207 5.512 52 3HZ LYS 6 3HZ LYS 6 -19.779 -3.451 6.533 53 H ILE 7 H ILE 7 -13.841 -4.313 1.794 54 HA ILE 7 HA ILE 7 -11.804 -3.708 3.749 55 HB ILE 7 HB ILE 7 -10.621 -5.680 2.877 56 1HG1 ILE 7 2HG1 ILE 7 -12.952 -5.930 0.965 57 2HG1 ILE 7 1HG1 ILE 7 -11.323 -5.441 0.514 58 1HG2 ILE 7 1HG2 ILE 7 -12.256 -5.974 4.634 59 2HG2 ILE 7 2HG2 ILE 7 -12.283 -7.360 3.544 60 3HG2 ILE 7 3HG2 ILE 7 -13.545 -6.132 3.441 61 1HD1 ILE 7 1HD1 ILE 7 -10.484 -7.623 1.243 62 2HD1 ILE 7 2HD1 ILE 7 -11.689 -7.757 -0.038 63 3HD1 ILE 7 3HD1 ILE 7 -12.133 -8.112 1.633 64 H MET 8 H MET 8 -12.270 -3.240 0.319 65 HA MET 8 HA MET 8 -9.545 -2.889 -0.353 66 1HB MET 8 2HB MET 8 -10.337 -2.002 -2.467 67 2HB MET 8 1HB MET 8 -11.254 -3.427 -2.022 68 1HG MET 8 2HG MET 8 -12.876 -2.019 -2.831 69 2HG MET 8 1HG MET 8 -12.983 -1.758 -1.092 70 1HE MET 8 1HE MET 8 -10.381 -0.428 -3.740 71 2HE MET 8 2HE MET 8 -11.044 1.170 -4.078 72 3HE MET 8 3HE MET 8 -11.935 -0.275 -4.556 73 H SER 9 H SER 9 -11.707 -0.922 1.338 74 HA SER 9 HA SER 9 -10.807 1.646 0.605 75 1HB SER 9 2HB SER 9 -11.903 0.782 3.291 76 2HB SER 9 1HB SER 9 -11.918 2.408 2.613 77 HG SER 9 HG SER 9 -13.907 1.058 2.412 78 H ALA 10 H ALA 10 -9.565 -0.771 2.808 79 HA ALA 10 HA ALA 10 -7.606 1.092 3.910 80 1HB ALA 10 1HB ALA 10 -7.002 -0.748 5.412 81 2HB ALA 10 2HB ALA 10 -8.121 -1.811 4.556 82 3HB ALA 10 3HB ALA 10 -8.735 -0.422 5.451 83 H ILE 11 H ILE 11 -7.902 -1.098 1.367 84 HA ILE 11 HA ILE 11 -5.065 -1.774 1.280 85 HB ILE 11 HB ILE 11 -7.317 -2.583 -0.569 86 1HG1 ILE 11 2HG1 ILE 11 -5.889 -4.140 1.599 87 2HG1 ILE 11 1HG1 ILE 11 -7.516 -3.479 1.726 88 1HG2 ILE 11 1HG2 ILE 11 -5.190 -2.608 -1.734 89 2HG2 ILE 11 2HG2 ILE 11 -5.729 -4.259 -1.429 90 3HG2 ILE 11 3HG2 ILE 11 -4.460 -3.548 -0.433 91 1HD1 ILE 11 1HD1 ILE 11 -6.636 -5.568 -0.253 92 2HD1 ILE 11 2HD1 ILE 11 -8.273 -4.943 -0.045 93 3HD1 ILE 11 3HD1 ILE 11 -7.515 -5.874 1.245 94 H PHE 12 H PHE 12 -7.484 -0.324 -0.902 95 HA PHE 12 HA PHE 12 -5.359 0.801 -2.542 96 1HB PHE 12 2HB PHE 12 -8.370 0.807 -2.845 97 2HB PHE 12 1HB PHE 12 -7.263 1.559 -3.990 98 HD1 PHE 12 1HD PHE 12 -5.816 0.191 -5.396 99 HD2 PHE 12 2HD PHE 12 -8.634 -1.574 -2.742 100 HE1 PHE 12 1HE PHE 12 -5.590 -1.949 -6.588 101 HE2 PHE 12 2HE PHE 12 -8.417 -3.717 -3.931 102 HZ PHE 12 HZ PHE 12 -6.893 -3.907 -5.856 103 H GLY 13 H GLY 13 -6.353 1.678 0.276 104 1HA GLY 13 2HA GLY 13 -6.998 4.470 -0.300 105 2HA GLY 13 1HA GLY 13 -7.042 3.699 1.280 106 H ASP 14 H ASP 14 -4.281 2.550 0.332 107 HA ASP 14 HA ASP 14 -2.758 4.533 1.741 108 1HB ASP 14 2HB ASP 14 -2.228 2.187 2.100 109 2HB ASP 14 1HB ASP 14 -1.888 1.970 0.385 110 H SER 15 H SER 15 -0.916 5.586 0.950 111 HA SER 15 HA SER 15 -0.378 5.687 -1.874 112 1HB SER 15 2HB SER 15 -1.433 8.160 -0.471 113 2HB SER 15 1HB SER 15 -0.805 8.101 -2.116 114 HG SER 15 HG SER 15 -2.697 6.222 -1.824 115 H ALA 16 H ALA 16 0.135 6.956 1.371 116 HA ALA 16 HA ALA 16 3.005 6.918 0.924 117 1HB ALA 16 1HB ALA 16 3.331 9.199 1.754 118 2HB ALA 16 2HB ALA 16 1.582 9.426 1.815 119 3HB ALA 16 3HB ALA 16 2.386 9.185 0.264 120 H ALA 17 H ALA 17 0.887 5.552 2.602 121 HA ALA 17 HA ALA 17 1.846 6.297 5.285 122 1HB ALA 17 1HB ALA 17 -0.084 5.084 6.150 123 2HB ALA 17 2HB ALA 17 -0.535 4.605 4.514 124 3HB ALA 17 3HB ALA 17 -0.591 6.304 4.982 125 H ALA 18 H ALA 18 1.101 3.447 3.289 126 HA ALA 18 HA ALA 18 3.069 1.898 4.828 127 1HB ALA 18 1HB ALA 18 0.889 0.850 4.550 128 2HB ALA 18 2HB ALA 18 2.127 -0.067 3.691 129 3HB ALA 18 3HB ALA 18 1.029 0.987 2.798 130 H SER 19 H SER 19 2.074 2.100 1.421 131 HA SER 19 HA SER 19 3.218 2.224 -0.520 132 1HB SER 19 2HB SER 19 5.401 3.452 1.178 133 2HB SER 19 1HB SER 19 5.278 3.550 -0.580 134 HG SER 19 HG SER 19 3.019 4.329 0.789 135 HA PRO 20 HA PRO 20 5.036 -1.967 -0.214 136 1HB PRO 20 2HB PRO 20 4.975 -1.244 -3.120 137 2HB PRO 20 1HB PRO 20 4.575 -2.777 -2.338 138 1HG PRO 20 2HG PRO 20 2.669 -1.073 -3.156 139 2HG PRO 20 1HG PRO 20 2.481 -2.057 -1.694 140 1HD PRO 20 2HD PRO 20 2.921 0.845 -1.960 141 2HD PRO 20 1HD PRO 20 2.242 -0.078 -0.606 142 H GLY 21 H GLY 21 7.067 -1.643 0.591 143 1HA GLY 21 2HA GLY 21 9.385 -1.926 -0.352 144 2HA GLY 21 1HA GLY 21 9.060 -0.427 -1.216 145 H GLY 22 H GLY 22 7.730 0.972 0.819 146 1HA GLY 22 2HA GLY 22 8.241 1.476 3.214 147 2HA GLY 22 1HA GLY 22 9.933 1.335 2.755 148 H ALA 23 H ALA 23 8.019 3.568 3.745 149 HA ALA 23 HA ALA 23 8.986 5.594 1.842 150 1HB ALA 23 1HB ALA 23 6.561 5.292 1.627 151 2HB ALA 23 2HB ALA 23 6.970 6.894 2.239 152 3HB ALA 23 3HB ALA 23 6.366 5.656 3.342 153 H GLN 24 H GLN 24 10.198 7.143 2.722 154 HA GLN 24 HA GLN 24 10.451 7.228 5.635 155 1HB GLN 24 2HB GLN 24 12.212 8.099 3.368 156 2HB GLN 24 1HB GLN 24 12.424 8.810 4.959 157 1HG GLN 24 2HG GLN 24 13.976 7.008 4.675 158 2HG GLN 24 1HG GLN 24 12.787 6.569 5.895 159 1HE2 GLN 24 1HE2 GLN 24 11.399 4.877 5.521 160 2HE2 GLN 24 2HE2 GLN 24 11.578 3.800 4.176 161 H ALA 25 H ALA 25 10.742 9.383 6.641 162 HA ALA 25 HA ALA 25 9.042 11.409 5.347 163 1HB ALA 25 1HB ALA 25 7.929 10.383 7.276 164 2HB ALA 25 2HB ALA 25 8.294 12.082 7.577 165 3HB ALA 25 3HB ALA 25 9.297 10.823 8.298 166 HA PRO 26 HA PRO 26 12.471 14.197 5.667 167 1HB PRO 26 2HB PRO 26 11.148 16.555 6.131 168 2HB PRO 26 1HB PRO 26 11.312 15.805 4.541 169 1HG PRO 26 2HG PRO 26 8.999 15.748 6.435 170 2HG PRO 26 1HG PRO 26 9.002 15.886 4.666 171 1HD PRO 26 2HD PRO 26 8.442 13.570 5.937 172 2HD PRO 26 1HD PRO 26 9.258 13.618 4.361 173 H ALA 27 H ALA 27 13.530 13.604 7.518 174 HA ALA 27 HA ALA 27 12.610 14.706 10.074 175 1HB ALA 27 1HB ALA 27 13.150 12.321 10.033 176 2HB ALA 27 2HB ALA 27 14.246 13.205 11.095 177 3HB ALA 27 3HB ALA 27 14.788 12.698 9.497 178 H THR 28 H THR 28 14.724 15.169 11.508 179 HA THR 28 HA THR 28 16.099 16.892 12.040 180 HB THR 28 HB THR 28 17.651 15.132 11.297 181 HG1 THR 28 1HG THR 28 18.937 17.433 10.399 182 1HG2 THR 28 1HG2 THR 28 17.071 14.974 8.931 183 2HG2 THR 28 2HG2 THR 28 18.794 15.297 9.133 184 3HG2 THR 28 3HG2 THR 28 17.702 16.598 8.656 185 H THR 29 H THR 29 14.003 17.944 10.772 186 HA THR 29 HA THR 29 15.057 19.858 8.805 187 HB THR 29 HB THR 29 12.165 19.484 9.613 188 HG1 THR 29 1HG THR 29 13.714 17.718 8.388 189 1HG2 THR 29 1HG2 THR 29 12.665 21.542 8.378 190 2HG2 THR 29 2HG2 THR 29 11.718 20.432 7.387 191 3HG2 THR 29 3HG2 THR 29 13.452 20.599 7.112 192 H GLY 30 H GLY 30 14.634 19.554 12.054 193 1HA GLY 30 2HA GLY 30 13.826 22.331 12.518 194 2HA GLY 30 1HA GLY 30 13.947 21.072 13.739 195 H ALA 31 H ALA 31 15.006 23.676 13.952 196 HA ALA 31 HA ALA 31 16.847 24.753 14.726 197 1HB ALA 31 1HB ALA 31 17.195 22.744 16.081 198 2HB ALA 31 2HB ALA 31 18.727 23.467 15.585 199 3HB ALA 31 3HB ALA 31 18.128 22.024 14.768 200 H ALA 32 H ALA 32 16.473 23.868 11.791 201 HA ALA 32 HA ALA 32 19.125 24.784 10.906 202 1HB ALA 32 1HB ALA 32 18.902 22.387 10.434 203 2HB ALA 32 2HB ALA 32 18.958 23.331 8.945 204 3HB ALA 32 3HB ALA 32 17.417 22.700 9.533 205 H GLY 33 H GLY 33 19.077 26.508 9.591 206 1HA GLY 33 2HA GLY 33 16.594 27.817 9.049 207 2HA GLY 33 1HA GLY 33 18.183 28.337 8.510 208 H THR 34 H THR 34 18.878 25.972 7.120 209 HA THR 34 HA THR 34 16.828 25.804 5.028 210 HB THR 34 HB THR 34 19.794 25.944 4.453 211 HG1 THR 34 1HG THR 34 17.802 27.976 4.147 212 1HG2 THR 34 1HG2 THR 34 17.368 26.093 2.655 213 2HG2 THR 34 2HG2 THR 34 18.502 24.748 2.765 214 3HG2 THR 34 3HG2 THR 34 19.038 26.304 2.132 215 H ALA 35 H ALA 35 16.157 23.786 5.720 216 HA ALA 35 HA ALA 35 18.126 21.653 5.965 217 1HB ALA 35 1HB ALA 35 15.134 21.601 6.357 218 2HB ALA 35 2HB ALA 35 16.343 21.787 7.628 219 3HB ALA 35 3HB ALA 35 16.250 20.282 6.715 220 HA PRO 36 HA PRO 36 17.519 20.449 1.732 221 1HB PRO 36 2HB PRO 36 18.739 17.897 2.492 222 2HB PRO 36 1HB PRO 36 19.332 19.133 1.381 223 1HG PRO 36 2HG PRO 36 20.487 18.682 3.775 224 2HG PRO 36 1HG PRO 36 20.424 20.293 3.039 225 1HD PRO 36 2HD PRO 36 18.722 19.136 5.215 226 2HD PRO 36 1HD PRO 36 19.413 20.766 5.072 227 H THR 37 H THR 37 15.234 20.247 1.861 228 HA THR 37 HA THR 37 14.235 17.577 2.487 229 HB THR 37 HB THR 37 12.911 19.325 3.451 230 HG1 THR 37 1HG THR 37 11.582 18.245 1.167 231 1HG2 THR 37 1HG2 THR 37 13.524 21.190 2.020 232 2HG2 THR 37 2HG2 THR 37 11.769 21.044 2.116 233 3HG2 THR 37 3HG2 THR 37 12.624 20.483 0.680 234 H ALA 38 H ALA 38 14.821 16.285 0.830 235 HA ALA 38 HA ALA 38 14.707 17.193 -1.901 236 1HB ALA 38 1HB ALA 38 15.571 14.978 -2.455 237 2HB ALA 38 2HB ALA 38 15.333 14.464 -0.787 238 3HB ALA 38 3HB ALA 38 16.509 15.723 -1.160 239 HA PRO 39 HA PRO 39 10.439 15.853 -2.362 240 1HB PRO 39 2HB PRO 39 10.855 16.623 -5.167 241 2HB PRO 39 1HB PRO 39 9.710 17.266 -3.989 242 1HG PRO 39 2HG PRO 39 11.834 18.689 -4.839 243 2HG PRO 39 1HG PRO 39 11.205 18.826 -3.187 244 1HD PRO 39 2HD PRO 39 13.586 17.310 -4.190 245 2HD PRO 39 1HD PRO 39 13.408 18.283 -2.712 246 H GLN 40 H GLN 40 9.781 13.840 -2.774 247 HA GLN 40 HA GLN 40 11.302 12.264 -4.744 248 1HB GLN 40 2HB GLN 40 9.944 11.327 -2.208 249 2HB GLN 40 1HB GLN 40 10.687 10.265 -3.396 250 1HG GLN 40 2HG GLN 40 12.858 11.237 -2.957 251 2HG GLN 40 1HG GLN 40 12.137 12.392 -1.837 252 1HE2 GLN 40 1HE2 GLN 40 13.074 9.081 -2.334 253 2HE2 GLN 40 2HE2 GLN 40 12.923 8.584 -0.688 254 HA PRO 41 HA PRO 41 7.105 12.275 -6.491 255 1HB PRO 41 2HB PRO 41 8.403 11.935 -9.051 256 2HB PRO 41 1HB PRO 41 7.494 13.326 -8.458 257 1HG PRO 41 2HG PRO 41 10.194 13.351 -8.917 258 2HG PRO 41 1HG PRO 41 9.375 14.415 -7.761 259 1HD PRO 41 2HD PRO 41 10.911 11.895 -7.262 260 2HD PRO 41 1HD PRO 41 10.881 13.405 -6.324 261 H THR 42 H THR 42 5.990 10.425 -6.530 262 HA THR 42 HA THR 42 7.059 8.112 -7.941 263 HB THR 42 HB THR 42 6.232 7.921 -5.034 264 HG1 THR 42 1HG THR 42 8.598 8.508 -6.166 265 1HG2 THR 42 1HG2 THR 42 6.967 5.584 -5.220 266 2HG2 THR 42 2HG2 THR 42 7.293 5.824 -6.938 267 3HG2 THR 42 3HG2 THR 42 5.639 5.930 -6.330 268 H ALA 43 H ALA 43 5.446 7.726 -9.310 269 HA ALA 43 HA ALA 43 2.675 7.983 -8.498 270 1HB ALA 43 1HB ALA 43 3.315 8.659 -10.756 271 2HB ALA 43 2HB ALA 43 2.170 7.318 -10.811 272 3HB ALA 43 3HB ALA 43 3.886 7.027 -11.096 273 H ALA 44 H ALA 44 1.177 6.116 -8.852 274 HA ALA 44 HA ALA 44 2.435 3.514 -8.458 275 1HB ALA 44 1HB ALA 44 1.088 3.011 -6.496 276 2HB ALA 44 2HB ALA 44 0.383 4.626 -6.544 277 3HB ALA 44 3HB ALA 44 2.099 4.421 -6.199 278 HA PRO 45 HA PRO 45 -1.202 3.313 -11.202 279 1HB PRO 45 2HB PRO 45 -0.053 1.985 -13.208 280 2HB PRO 45 1HB PRO 45 0.226 3.710 -12.984 281 1HG PRO 45 2HG PRO 45 1.978 1.395 -12.270 282 2HG PRO 45 1HG PRO 45 2.423 2.963 -12.967 283 1HD PRO 45 2HD PRO 45 2.640 2.309 -10.291 284 2HD PRO 45 1HD PRO 45 2.535 3.964 -10.924 285 H SER 46 H SER 46 0.446 1.208 -9.303 286 HA SER 46 HA SER 46 -1.624 -0.790 -9.544 287 1HB SER 46 2HB SER 46 0.226 -1.511 -11.122 288 2HB SER 46 1HB SER 46 1.273 -1.650 -9.711 289 HG SER 46 HG SER 46 -1.196 -2.955 -9.621 290 H ILE 47 H ILE 47 -1.955 -1.869 -7.619 291 HA ILE 47 HA ILE 47 -0.444 -0.762 -5.347 292 HB ILE 47 HB ILE 47 -3.301 -1.686 -5.572 293 1HG1 ILE 47 2HG1 ILE 47 -2.890 0.601 -6.295 294 2HG1 ILE 47 1HG1 ILE 47 -3.798 0.598 -4.788 295 1HG2 ILE 47 1HG2 ILE 47 -2.441 -2.573 -3.494 296 2HG2 ILE 47 2HG2 ILE 47 -3.551 -1.239 -3.174 297 3HG2 ILE 47 3HG2 ILE 47 -1.809 -0.987 -3.048 298 1HD1 ILE 47 1HD1 ILE 47 -1.769 1.110 -3.556 299 2HD1 ILE 47 2HD1 ILE 47 -2.083 2.314 -4.805 300 3HD1 ILE 47 3HD1 ILE 47 -0.843 1.085 -5.056 301 H ASP 48 H ASP 48 1.006 -2.199 -4.623 302 HA ASP 48 HA ASP 48 0.687 -5.023 -5.019 303 1HB ASP 48 2HB ASP 48 2.910 -3.893 -5.061 304 2HB ASP 48 1HB ASP 48 2.741 -3.560 -3.343 305 H VAL 49 H VAL 49 -0.644 -6.174 -3.819 306 HA VAL 49 HA VAL 49 -1.660 -5.072 -1.358 307 HB VAL 49 HB VAL 49 -2.333 -7.760 -2.561 308 1HG1 VAL 49 1HG1 VAL 49 -3.879 -5.957 -0.704 309 2HG1 VAL 49 2HG1 VAL 49 -3.089 -7.472 -0.268 310 3HG1 VAL 49 3HG1 VAL 49 -4.461 -7.480 -1.378 311 1HG2 VAL 49 1HG2 VAL 49 -3.553 -5.063 -3.138 312 2HG2 VAL 49 2HG2 VAL 49 -4.253 -6.607 -3.628 313 3HG2 VAL 49 3HG2 VAL 49 -2.689 -6.103 -4.272 314 H ALA 50 H ALA 50 0.844 -7.196 -2.195 315 HA ALA 50 HA ALA 50 0.790 -9.075 -0.134 316 1HB ALA 50 1HB ALA 50 3.236 -7.974 -1.502 317 2HB ALA 50 2HB ALA 50 2.211 -9.266 -2.124 318 3HB ALA 50 3HB ALA 50 3.114 -9.500 -0.628 319 HA PRO 51 HA PRO 51 3.495 -6.249 2.609 320 1HB PRO 51 2HB PRO 51 4.040 -3.715 1.905 321 2HB PRO 51 1HB PRO 51 4.999 -5.075 1.308 322 1HG PRO 51 2HG PRO 51 2.817 -3.547 -0.061 323 2HG PRO 51 1HG PRO 51 4.369 -4.115 -0.707 324 1HD PRO 51 2HD PRO 51 1.993 -5.413 -1.101 325 2HD PRO 51 1HD PRO 51 3.573 -6.216 -1.113 326 H ILE 52 H ILE 52 0.510 -5.781 1.501 327 HA ILE 52 HA ILE 52 -0.156 -3.733 3.496 328 HB ILE 52 HB ILE 52 -1.865 -4.842 1.261 329 1HG1 ILE 52 2HG1 ILE 52 -0.558 -2.132 1.591 330 2HG1 ILE 52 1HG1 ILE 52 -0.032 -3.391 0.477 331 1HG2 ILE 52 1HG2 ILE 52 -3.438 -3.046 1.865 332 2HG2 ILE 52 2HG2 ILE 52 -2.424 -2.648 3.253 333 3HG2 ILE 52 3HG2 ILE 52 -3.224 -4.217 3.167 334 1HD1 ILE 52 1HD1 ILE 52 -2.670 -1.939 0.395 335 2HD1 ILE 52 2HD1 ILE 52 -2.155 -3.206 -0.720 336 3HD1 ILE 52 3HD1 ILE 52 -1.293 -1.668 -0.674 337 H LEU 53 H LEU 53 -1.446 -6.839 2.259 338 HA LEU 53 HA LEU 53 -3.082 -7.126 4.600 339 1HB LEU 53 2HB LEU 53 -2.787 -8.501 2.039 340 2HB LEU 53 1HB LEU 53 -3.136 -9.582 3.375 341 HG LEU 53 HG LEU 53 -5.135 -8.249 3.921 342 1HD1 LEU 53 1HD1 LEU 53 -4.439 -6.716 1.426 343 2HD1 LEU 53 2HD1 LEU 53 -4.419 -6.095 3.077 344 3HD1 LEU 53 3HD1 LEU 53 -5.944 -6.579 2.334 345 1HD2 LEU 53 1HD2 LEU 53 -6.478 -8.942 2.009 346 2HD2 LEU 53 2HD2 LEU 53 -5.329 -10.194 2.480 347 3HD2 LEU 53 3HD2 LEU 53 -5.010 -9.192 1.064 348 H ASP 54 H ASP 54 -0.123 -8.656 3.392 349 HA ASP 54 HA ASP 54 -0.027 -10.655 5.391 350 1HB ASP 54 2HB ASP 54 1.263 -10.691 3.233 351 2HB ASP 54 1HB ASP 54 2.338 -9.478 3.921 352 H LYS 55 H LYS 55 0.740 -7.312 5.405 353 HA LYS 55 HA LYS 55 2.368 -7.473 7.812 354 1HB LYS 55 2HB LYS 55 1.329 -5.022 6.379 355 2HB LYS 55 1HB LYS 55 2.581 -5.067 7.607 356 1HG LYS 55 2HG LYS 55 2.823 -6.397 4.918 357 2HG LYS 55 1HG LYS 55 3.402 -4.772 5.274 358 1HD LYS 55 2HD LYS 55 5.318 -5.992 5.584 359 2HD LYS 55 1HD LYS 55 4.669 -5.980 7.222 360 1HE LYS 55 2HE LYS 55 3.801 -8.196 6.969 361 2HE LYS 55 1HE LYS 55 4.191 -8.208 5.247 362 1HZ LYS 55 1HZ LYS 55 6.529 -8.137 5.788 363 2HZ LYS 55 2HZ LYS 55 5.813 -9.449 6.586 364 3HZ LYS 55 3HZ LYS 55 6.186 -8.034 7.445 365 H ALA 56 H ALA 56 -0.798 -6.203 6.792 366 HA ALA 56 HA ALA 56 -1.597 -5.220 9.313 367 1HB ALA 56 1HB ALA 56 -2.664 -4.537 7.217 368 2HB ALA 56 2HB ALA 56 -3.846 -5.141 8.379 369 3HB ALA 56 3HB ALA 56 -3.336 -6.156 7.030 370 H VAL 57 H VAL 57 -1.680 -8.386 7.892 371 HA VAL 57 HA VAL 57 -3.524 -9.677 9.538 372 HB VAL 57 HB VAL 57 -1.116 -10.559 7.992 373 1HG1 VAL 57 1HG1 VAL 57 -1.093 -11.865 10.105 374 2HG1 VAL 57 2HG1 VAL 57 -1.355 -12.836 8.658 375 3HG1 VAL 57 3HG1 VAL 57 -2.714 -12.442 9.713 376 1HG2 VAL 57 1HG2 VAL 57 -3.231 -10.205 6.835 377 2HG2 VAL 57 2HG2 VAL 57 -4.030 -11.340 7.924 378 3HG2 VAL 57 3HG2 VAL 57 -2.785 -11.910 6.813 379 H LYS 58 H LYS 58 -0.158 -8.862 10.033 380 HA LYS 58 HA LYS 58 0.247 -10.353 12.406 381 1HB LYS 58 2HB LYS 58 1.687 -7.852 11.513 382 2HB LYS 58 1HB LYS 58 2.294 -9.088 12.608 383 1HG LYS 58 2HG LYS 58 2.438 -10.686 10.842 384 2HG LYS 58 1HG LYS 58 1.599 -9.608 9.727 385 1HD LYS 58 2HD LYS 58 3.784 -9.294 9.092 386 2HD LYS 58 1HD LYS 58 3.572 -7.990 10.256 387 1HE LYS 58 2HE LYS 58 4.797 -10.676 10.880 388 2HE LYS 58 1HE LYS 58 5.711 -9.215 10.518 389 1HZ LYS 58 1HZ LYS 58 5.563 -9.592 12.886 390 2HZ LYS 58 2HZ LYS 58 3.871 -9.592 12.825 391 3HZ LYS 58 3HZ LYS 58 4.734 -8.173 12.478 392 H ALA 59 H ALA 59 -1.015 -7.182 11.700 393 HA ALA 59 HA ALA 59 -0.939 -6.306 14.452 394 1HB ALA 59 1HB ALA 59 -2.247 -5.048 12.042 395 2HB ALA 59 2HB ALA 59 -0.623 -4.696 12.640 396 3HB ALA 59 3HB ALA 59 -2.033 -4.290 13.621 397 H LYS 60 H LYS 60 -3.083 -8.055 12.423 398 HA LYS 60 HA LYS 60 -5.520 -7.416 13.736 399 1HB LYS 60 2HB LYS 60 -5.378 -8.456 11.464 400 2HB LYS 60 1HB LYS 60 -4.859 -9.952 12.227 401 1HG LYS 60 2HG LYS 60 -7.246 -9.964 11.665 402 2HG LYS 60 1HG LYS 60 -6.967 -10.131 13.401 403 1HD LYS 60 2HD LYS 60 -7.410 -7.723 13.679 404 2HD LYS 60 1HD LYS 60 -7.739 -7.598 11.950 405 1HE LYS 60 2HE LYS 60 -9.591 -9.185 12.200 406 2HE LYS 60 1HE LYS 60 -9.265 -9.285 13.930 407 1HZ LYS 60 1HZ LYS 60 -11.100 -7.728 13.166 408 2HZ LYS 60 2HZ LYS 60 -9.867 -6.702 12.615 409 3HZ LYS 60 3HZ LYS 60 -9.970 -7.101 14.260 410 H GLY 61 H GLY 61 -3.058 -9.896 14.222 411 1HA GLY 61 2HA GLY 61 -2.940 -9.999 16.851 412 2HA GLY 61 1HA GLY 61 -4.475 -10.815 16.618 413 H GLU 62 H GLU 62 -3.633 -12.165 14.173 414 HA GLU 62 HA GLU 62 -1.536 -13.949 15.126 415 1HB GLU 62 2HB GLU 62 -2.988 -15.936 14.790 416 2HB GLU 62 1HB GLU 62 -3.508 -14.913 16.123 417 1HG GLU 62 2HG GLU 62 -5.151 -13.869 14.528 418 2HG GLU 62 1HG GLU 62 -4.741 -15.157 13.395 419 H LYS 63 H LYS 63 -1.005 -15.625 13.434 420 HA LYS 63 HA LYS 63 -0.734 -14.247 10.940 421 1HB LYS 63 2HB LYS 63 1.068 -15.677 11.909 422 2HB LYS 63 1HB LYS 63 0.064 -17.088 11.593 423 1HG LYS 63 2HG LYS 63 1.736 -16.821 9.862 424 2HG LYS 63 1HG LYS 63 0.118 -16.594 9.198 425 1HD LYS 63 2HD LYS 63 0.445 -14.129 9.425 426 2HD LYS 63 1HD LYS 63 2.109 -14.441 9.914 427 1HE LYS 63 2HE LYS 63 2.536 -15.532 7.764 428 2HE LYS 63 1HE LYS 63 0.868 -15.235 7.278 429 1HZ LYS 63 1HZ LYS 63 1.354 -12.819 7.573 430 2HZ LYS 63 2HZ LYS 63 2.209 -13.547 6.311 431 3HZ LYS 63 3HZ LYS 63 2.988 -13.210 7.778 432 H LEU 64 H LEU 64 -1.892 -14.436 9.184 433 HA LEU 64 HA LEU 64 -3.853 -16.605 8.941 434 1HB LEU 64 2HB LEU 64 -4.255 -13.730 8.092 435 2HB LEU 64 1HB LEU 64 -5.436 -15.021 8.010 436 HG LEU 64 HG LEU 64 -4.318 -13.881 10.572 437 1HD1 LEU 64 1HD1 LEU 64 -5.685 -12.247 9.390 438 2HD1 LEU 64 2HD1 LEU 64 -6.507 -12.837 10.835 439 3HD1 LEU 64 3HD1 LEU 64 -6.987 -13.428 9.244 440 1HD2 LEU 64 1HD2 LEU 64 -6.141 -15.122 11.631 441 2HD2 LEU 64 2HD2 LEU 64 -5.020 -16.197 10.794 442 3HD2 LEU 64 3HD2 LEU 64 -6.579 -15.810 10.066 443 H GLU 65 H GLU 65 -4.483 -17.008 6.654 444 HA GLU 65 HA GLU 65 -2.313 -16.211 4.821 445 1HB GLU 65 2HB GLU 65 -3.633 -18.882 5.163 446 2HB GLU 65 1HB GLU 65 -2.870 -18.440 3.642 447 1HG GLU 65 2HG GLU 65 -0.770 -18.018 4.862 448 2HG GLU 65 1HG GLU 65 -1.548 -18.583 6.339 449 H TRP 66 H TRP 66 -3.380 -14.525 3.929 450 HA TRP 66 HA TRP 66 -6.059 -14.683 2.974 451 1HB TRP 66 2HB TRP 66 -5.449 -12.473 1.883 452 2HB TRP 66 1HB TRP 66 -5.289 -12.540 3.633 453 HD1 TRP 66 HD TRP 66 -2.800 -12.444 4.645 454 HE1 TRP 66 1HE TRP 66 -0.574 -11.622 3.646 455 HE3 TRP 66 3HE TRP 66 -4.111 -12.331 -0.303 456 HZ2 TRP 66 2HZ TRP 66 0.485 -11.014 1.104 457 HZ3 TRP 66 3HZ TRP 66 -2.430 -11.616 -1.948 458 HH2 TRP 66 HH TRP 66 -0.181 -10.973 -1.256 459 H ARG 67 H ARG 67 -3.073 -15.663 1.726 460 HA ARG 67 HA ARG 67 -3.712 -15.332 -1.050 461 1HB ARG 67 2HB ARG 67 -1.640 -16.537 -1.470 462 2HB ARG 67 1HB ARG 67 -1.386 -15.292 -0.258 463 1HG ARG 67 2HG ARG 67 -1.636 -17.086 1.485 464 2HG ARG 67 1HG ARG 67 -1.598 -18.258 0.166 465 1HD ARG 67 2HD ARG 67 0.609 -18.078 1.046 466 2HD ARG 67 1HD ARG 67 0.593 -17.286 -0.529 467 HE ARG 67 HE ARG 67 0.095 -15.299 1.302 468 1HH1 ARG 67 1HH1 ARG 67 2.681 -17.544 0.598 469 2HH1 ARG 67 2HH1 ARG 67 3.902 -16.575 1.358 470 1HH2 ARG 67 1HH2 ARG 67 1.702 -14.017 2.318 471 2HH2 ARG 67 2HH2 ARG 67 3.341 -14.582 2.376 472 H THR 68 H THR 68 -4.723 -17.459 1.303 473 HA THR 68 HA THR 68 -5.543 -19.426 -0.721 474 HB THR 68 HB THR 68 -5.373 -21.152 1.147 475 HG1 THR 68 1HG THR 68 -3.733 -20.501 2.755 476 1HG2 THR 68 1HG2 THR 68 -2.974 -21.507 0.805 477 2HG2 THR 68 2HG2 THR 68 -2.819 -19.864 0.181 478 3HG2 THR 68 3HG2 THR 68 -3.771 -21.058 -0.703 479 H SER 69 H SER 69 -6.148 -18.352 2.623 480 HA SER 69 HA SER 69 -8.887 -19.296 2.450 481 1HB SER 69 2HB SER 69 -7.267 -18.152 4.731 482 2HB SER 69 1HB SER 69 -8.938 -18.689 4.880 483 HG SER 69 HG SER 69 -6.732 -20.143 5.024 484 H ILE 70 H ILE 70 -10.570 -18.018 2.040 485 HA ILE 70 HA ILE 70 -10.101 -15.236 1.494 486 HB ILE 70 HB ILE 70 -11.629 -16.643 0.119 487 1HG1 ILE 70 2HG1 ILE 70 -13.338 -14.915 -0.176 488 2HG1 ILE 70 1HG1 ILE 70 -12.913 -14.219 1.388 489 1HG2 ILE 70 1HG2 ILE 70 -13.448 -16.461 2.513 490 2HG2 ILE 70 2HG2 ILE 70 -12.712 -17.925 1.859 491 3HG2 ILE 70 3HG2 ILE 70 -13.915 -17.046 0.915 492 1HD1 ILE 70 1HD1 ILE 70 -11.922 -12.947 -0.410 493 2HD1 ILE 70 2HD1 ILE 70 -11.129 -14.397 -1.024 494 3HD1 ILE 70 3HD1 ILE 70 -10.669 -13.741 0.546 495 H VAL 71 H VAL 71 -11.520 -17.102 4.072 496 HA VAL 71 HA VAL 71 -12.879 -15.004 5.391 497 HB VAL 71 HB VAL 71 -11.679 -17.487 6.636 498 1HG1 VAL 71 1HG1 VAL 71 -13.927 -15.699 7.553 499 2HG1 VAL 71 2HG1 VAL 71 -12.326 -15.828 8.282 500 3HG1 VAL 71 3HG1 VAL 71 -13.428 -17.203 8.329 501 1HG2 VAL 71 1HG2 VAL 71 -14.415 -17.082 5.435 502 2HG2 VAL 71 2HG2 VAL 71 -13.873 -18.517 6.305 503 3HG2 VAL 71 3HG2 VAL 71 -13.122 -18.080 4.770 504 H ASP 72 H ASP 72 -9.588 -16.157 5.435 505 HA ASP 72 HA ASP 72 -8.677 -14.926 7.764 506 1HB ASP 72 2HB ASP 72 -7.327 -15.884 5.269 507 2HB ASP 72 1HB ASP 72 -6.406 -15.025 6.499 508 H LEU 73 H LEU 73 -8.457 -13.732 4.395 509 HA LEU 73 HA LEU 73 -7.276 -11.270 5.185 510 1HB LEU 73 2HB LEU 73 -7.725 -10.521 2.894 511 2HB LEU 73 1HB LEU 73 -6.934 -12.081 2.953 512 HG LEU 73 HG LEU 73 -9.426 -12.962 2.698 513 1HD1 LEU 73 1HD1 LEU 73 -10.465 -10.763 2.783 514 2HD1 LEU 73 2HD1 LEU 73 -10.708 -11.504 1.200 515 3HD1 LEU 73 3HD1 LEU 73 -9.496 -10.236 1.407 516 1HD2 LEU 73 1HD2 LEU 73 -7.592 -13.457 1.190 517 2HD2 LEU 73 2HD2 LEU 73 -7.727 -11.855 0.463 518 3HD2 LEU 73 3HD2 LEU 73 -9.031 -13.025 0.268 519 H MET 74 H MET 74 -10.578 -12.340 4.803 520 HA MET 74 HA MET 74 -11.844 -9.845 4.711 521 1HB MET 74 2HB MET 74 -13.065 -11.851 4.190 522 2HB MET 74 1HB MET 74 -12.786 -12.499 5.800 523 1HG MET 74 2HG MET 74 -14.198 -10.813 6.774 524 2HG MET 74 1HG MET 74 -14.397 -10.030 5.209 525 1HE MET 74 1HE MET 74 -15.042 -13.385 7.205 526 2HE MET 74 2HE MET 74 -14.301 -13.910 5.693 527 3HE MET 74 3HE MET 74 -15.992 -14.288 6.023 528 H LYS 75 H LYS 75 -11.174 -11.933 7.533 529 HA LYS 75 HA LYS 75 -12.136 -9.991 9.382 530 1HB LYS 75 2HB LYS 75 -11.016 -11.468 11.103 531 2HB LYS 75 1HB LYS 75 -12.235 -12.243 10.104 532 1HG LYS 75 2HG LYS 75 -10.393 -13.143 8.684 533 2HG LYS 75 1HG LYS 75 -9.247 -12.499 9.862 534 1HD LYS 75 2HD LYS 75 -10.132 -13.910 11.590 535 2HD LYS 75 1HD LYS 75 -11.458 -14.435 10.549 536 1HE LYS 75 2HE LYS 75 -9.841 -15.487 9.037 537 2HE LYS 75 1HE LYS 75 -8.523 -14.979 10.093 538 1HZ LYS 75 1HZ LYS 75 -10.712 -16.874 10.775 539 2HZ LYS 75 2HZ LYS 75 -9.525 -16.337 11.866 540 3HZ LYS 75 3HZ LYS 75 -9.081 -17.260 10.517 541 H ALA 76 H ALA 76 -8.999 -10.777 8.048 542 HA ALA 76 HA ALA 76 -7.267 -9.556 9.821 543 1HB ALA 76 1HB ALA 76 -6.574 -10.921 7.890 544 2HB ALA 76 2HB ALA 76 -5.703 -9.390 7.986 545 3HB ALA 76 3HB ALA 76 -7.004 -9.591 6.812 546 H LEU 77 H LEU 77 -8.952 -8.045 7.055 547 HA LEU 77 HA LEU 77 -7.784 -5.499 7.427 548 1HB LEU 77 2HB LEU 77 -10.153 -6.496 5.907 549 2HB LEU 77 1HB LEU 77 -9.986 -4.769 6.163 550 HG LEU 77 HG LEU 77 -9.087 -5.324 4.006 551 1HD1 LEU 77 1HD1 LEU 77 -6.802 -4.495 4.228 552 2HD1 LEU 77 2HD1 LEU 77 -6.865 -4.788 5.966 553 3HD1 LEU 77 3HD1 LEU 77 -7.928 -3.584 5.234 554 1HD2 LEU 77 1HD2 LEU 77 -8.630 -7.686 4.374 555 2HD2 LEU 77 2HD2 LEU 77 -7.281 -7.268 5.432 556 3HD2 LEU 77 3HD2 LEU 77 -7.216 -6.858 3.717 557 H ASP 78 H ASP 78 -11.236 -6.309 7.998 558 HA ASP 78 HA ASP 78 -11.365 -5.323 10.613 559 1HB ASP 78 2HB ASP 78 -10.676 -3.195 9.381 560 2HB ASP 78 1HB ASP 78 -12.270 -3.223 8.635 561 H ILE 79 H ILE 79 -12.543 -7.448 9.340 562 HA ILE 79 HA ILE 79 -15.359 -6.587 9.155 563 HB ILE 79 HB ILE 79 -14.092 -8.837 7.584 564 1HG1 ILE 79 2HG1 ILE 79 -13.421 -6.622 6.764 565 2HG1 ILE 79 1HG1 ILE 79 -14.491 -7.426 5.620 566 1HG2 ILE 79 1HG2 ILE 79 -16.239 -8.989 6.429 567 2HG2 ILE 79 2HG2 ILE 79 -16.902 -7.737 7.478 568 3HG2 ILE 79 3HG2 ILE 79 -16.429 -9.295 8.155 569 1HD1 ILE 79 1HD1 ILE 79 -16.359 -6.067 6.412 570 2HD1 ILE 79 2HD1 ILE 79 -15.029 -5.068 5.824 571 3HD1 ILE 79 3HD1 ILE 79 -15.284 -5.265 7.558 572 H ASP 80 H ASP 80 -16.925 -7.945 9.982 573 HA ASP 80 HA ASP 80 -16.496 -9.109 12.427 574 1HB ASP 80 2HB ASP 80 -18.667 -9.835 10.447 575 2HB ASP 80 1HB ASP 80 -18.721 -10.115 12.183 576 H SER 81 H SER 81 -16.522 -10.678 9.281 577 HA SER 81 HA SER 81 -16.126 -12.764 8.536 578 1HB SER 81 2HB SER 81 -14.257 -14.002 9.483 579 2HB SER 81 1HB SER 81 -13.859 -12.293 9.382 580 HG SER 81 HG SER 81 -14.791 -12.453 11.735 581 H SER 82 H SER 82 -18.192 -12.279 10.717 582 HA SER 82 HA SER 82 -18.455 -14.905 11.909 583 1HB SER 82 2HB SER 82 -19.012 -12.763 13.131 584 2HB SER 82 1HB SER 82 -20.382 -12.573 12.038 585 HG SER 82 HG SER 82 -20.694 -13.654 14.188 586 H LEU 83 H LEU 83 -21.280 -15.143 11.826 587 HA LEU 83 HA LEU 83 -21.586 -16.436 9.308 588 1HB LEU 83 2HB LEU 83 -22.715 -16.945 11.593 589 2HB LEU 83 1HB LEU 83 -23.870 -15.715 11.128 590 HG LEU 83 HG LEU 83 -24.632 -18.038 10.683 591 1HD1 LEU 83 1HD1 LEU 83 -25.460 -17.647 8.423 592 2HD1 LEU 83 2HD1 LEU 83 -24.299 -16.337 8.216 593 3HD1 LEU 83 3HD1 LEU 83 -25.588 -16.193 9.412 594 1HD2 LEU 83 1HD2 LEU 83 -22.393 -18.030 8.668 595 2HD2 LEU 83 2HD2 LEU 83 -23.665 -19.246 8.778 596 3HD2 LEU 83 3HD2 LEU 83 -22.517 -19.049 10.102 597 H SER 84 H SER 84 -22.823 -13.436 10.712 598 HA SER 84 HA SER 84 -24.498 -12.562 8.700 599 1HB SER 84 2HB SER 84 -23.805 -10.243 9.511 600 2HB SER 84 1HB SER 84 -24.391 -11.355 10.749 601 HG SER 84 HG SER 84 -22.351 -10.131 11.168 602 H ALA 85 H ALA 85 -21.036 -11.864 9.026 603 HA ALA 85 HA ALA 85 -20.771 -10.302 6.721 604 1HB ALA 85 1HB ALA 85 -19.151 -10.296 8.544 605 2HB ALA 85 2HB ALA 85 -18.368 -10.625 6.998 606 3HB ALA 85 3HB ALA 85 -18.672 -11.942 8.132 607 H ARG 86 H ARG 86 -20.063 -13.770 7.225 608 HA ARG 86 HA ARG 86 -19.112 -14.171 4.585 609 1HB ARG 86 2HB ARG 86 -19.104 -16.510 5.066 610 2HB ARG 86 1HB ARG 86 -18.611 -15.672 6.527 611 1HG ARG 86 2HG ARG 86 -20.955 -15.902 7.356 612 2HG ARG 86 1HG ARG 86 -21.285 -16.917 5.951 613 1HD ARG 86 2HD ARG 86 -20.781 -18.307 7.862 614 2HD ARG 86 1HD ARG 86 -19.488 -18.444 6.668 615 HE ARG 86 HE ARG 86 -18.959 -16.432 8.630 616 1HH1 ARG 86 1HH1 ARG 86 -18.834 -19.877 8.021 617 2HH1 ARG 86 2HH1 ARG 86 -17.563 -20.161 9.172 618 1HH2 ARG 86 1HH2 ARG 86 -17.262 -16.792 10.124 619 2HH2 ARG 86 2HH2 ARG 86 -16.641 -18.405 10.343 620 H LYS 87 H LYS 87 -22.279 -14.113 5.977 621 HA LYS 87 HA LYS 87 -23.612 -15.570 3.936 622 1HB LYS 87 2HB LYS 87 -24.561 -15.189 6.202 623 2HB LYS 87 1HB LYS 87 -24.751 -13.486 5.809 624 1HG LYS 87 2HG LYS 87 -26.864 -14.548 5.532 625 2HG LYS 87 1HG LYS 87 -26.240 -14.151 3.931 626 1HD LYS 87 2HD LYS 87 -27.076 -16.328 3.716 627 2HD LYS 87 1HD LYS 87 -25.333 -16.536 3.886 628 1HE LYS 87 2HE LYS 87 -26.486 -18.162 5.251 629 2HE LYS 87 1HE LYS 87 -25.639 -17.003 6.275 630 1HZ LYS 87 1HZ LYS 87 -27.712 -15.859 6.681 631 2HZ LYS 87 2HZ LYS 87 -27.886 -17.499 7.076 632 3HZ LYS 87 3HZ LYS 87 -28.540 -16.901 5.629 633 H GLU 88 H GLU 88 -23.446 -12.057 4.610 634 HA GLU 88 HA GLU 88 -24.794 -11.339 2.251 635 1HB GLU 88 2HB GLU 88 -24.145 -9.070 2.703 636 2HB GLU 88 1HB GLU 88 -24.581 -9.848 4.214 637 1HG GLU 88 2HG GLU 88 -22.236 -10.090 4.791 638 2HG GLU 88 1HG GLU 88 -21.764 -9.383 3.241 639 H LEU 89 H LEU 89 -21.337 -11.624 2.975 640 HA LEU 89 HA LEU 89 -20.352 -10.492 0.625 641 1HB LEU 89 2HB LEU 89 -18.916 -10.943 2.517 642 2HB LEU 89 1HB LEU 89 -19.181 -12.668 2.357 643 HG LEU 89 HG LEU 89 -17.964 -12.691 0.245 644 1HD1 LEU 89 1HD1 LEU 89 -16.802 -10.705 -0.566 645 2HD1 LEU 89 2HD1 LEU 89 -17.542 -9.739 0.709 646 3HD1 LEU 89 3HD1 LEU 89 -18.546 -10.453 -0.552 647 1HD2 LEU 89 1HD2 LEU 89 -16.470 -11.271 2.444 648 2HD2 LEU 89 2HD2 LEU 89 -15.739 -12.167 1.114 649 3HD2 LEU 89 3HD2 LEU 89 -16.718 -13.012 2.312 650 H ALA 90 H ALA 90 -21.063 -13.899 1.347 651 HA ALA 90 HA ALA 90 -20.329 -14.891 -1.185 652 1HB ALA 90 1HB ALA 90 -21.563 -16.897 -0.564 653 2HB ALA 90 2HB ALA 90 -22.314 -16.032 0.777 654 3HB ALA 90 3HB ALA 90 -20.575 -16.325 0.780 655 H LYS 91 H LYS 91 -23.340 -13.598 0.075 656 HA LYS 91 HA LYS 91 -24.973 -14.402 -2.095 657 1HB LYS 91 2HB LYS 91 -25.276 -12.438 0.145 658 2HB LYS 91 1HB LYS 91 -26.475 -12.511 -1.141 659 1HG LYS 91 2HG LYS 91 -27.062 -14.722 -0.623 660 2HG LYS 91 1HG LYS 91 -25.631 -14.954 0.380 661 1HD LYS 91 2HD LYS 91 -27.829 -14.655 1.601 662 2HD LYS 91 1HD LYS 91 -26.505 -13.610 2.110 663 1HE LYS 91 2HE LYS 91 -27.443 -11.733 1.162 664 2HE LYS 91 1HE LYS 91 -28.427 -12.664 0.029 665 1HZ LYS 91 1HZ LYS 91 -29.864 -13.326 1.813 666 2HZ LYS 91 2HZ LYS 91 -29.716 -11.635 1.846 667 3HZ LYS 91 3HZ LYS 91 -28.870 -12.581 2.969 668 H GLU 92 H GLU 92 -22.972 -11.572 -1.548 669 HA GLU 92 HA GLU 92 -23.970 -10.019 -3.708 670 1HB GLU 92 2HB GLU 92 -21.123 -10.013 -2.698 671 2HB GLU 92 1HB GLU 92 -21.963 -8.711 -3.523 672 1HG GLU 92 2HG GLU 92 -22.516 -9.731 -0.751 673 2HG GLU 92 1HG GLU 92 -21.725 -8.217 -1.180 674 H LEU 93 H LEU 93 -21.763 -12.668 -3.442 675 HA LEU 93 HA LEU 93 -20.664 -12.302 -6.098 676 1HB LEU 93 2HB LEU 93 -20.247 -14.577 -4.161 677 2HB LEU 93 1HB LEU 93 -19.261 -14.195 -5.560 678 HG LEU 93 HG LEU 93 -19.545 -12.412 -3.140 679 1HD1 LEU 93 1HD1 LEU 93 -18.429 -14.505 -2.570 680 2HD1 LEU 93 2HD1 LEU 93 -17.308 -13.144 -2.540 681 3HD1 LEU 93 3HD1 LEU 93 -17.296 -14.266 -3.899 682 1HD2 LEU 93 1HD2 LEU 93 -19.004 -11.183 -5.155 683 2HD2 LEU 93 2HD2 LEU 93 -17.688 -12.300 -5.512 684 3HD2 LEU 93 3HD2 LEU 93 -17.597 -11.258 -4.092 685 H GLY 94 H GLY 94 -22.722 -14.650 -4.393 686 1HA GLY 94 2HA GLY 94 -24.420 -15.217 -6.496 687 2HA GLY 94 1HA GLY 94 -23.075 -16.334 -6.675 688 H TYR 95 H TYR 95 -22.602 -16.581 -3.823 689 HA TYR 95 HA TYR 95 -23.188 -17.874 -2.053 690 1HB TYR 95 2HB TYR 95 -25.095 -16.176 -2.028 691 2HB TYR 95 1HB TYR 95 -26.074 -17.410 -2.807 692 HD1 TYR 95 1HD TYR 95 -23.678 -17.360 0.068 693 HD2 TYR 95 2HD TYR 95 -27.553 -18.401 -1.340 694 HE1 TYR 95 1HE TYR 95 -24.235 -18.266 2.284 695 HE2 TYR 95 2HE TYR 95 -28.117 -19.312 0.872 696 HH TYR 95 HH TYR 95 -26.958 -20.208 2.842 697 H SER 96 H SER 96 -22.961 -18.946 -4.822 698 HA SER 96 HA SER 96 -24.671 -21.281 -4.803 699 1HB SER 96 2HB SER 96 -23.347 -21.819 -6.904 700 2HB SER 96 1HB SER 96 -24.271 -20.316 -6.951 701 HG SER 96 HG SER 96 -21.507 -20.511 -6.302 702 H GLY 97 H GLY 97 -24.111 -23.221 -3.992 703 1HA GLY 97 2HA GLY 97 -21.812 -24.594 -4.075 704 2HA GLY 97 1HA GLY 97 -21.504 -23.482 -2.749 705 H ASP 98 H ASP 98 -22.749 -26.468 -3.593 706 HA ASP 98 HA ASP 98 -23.750 -26.822 -0.859 707 1HB ASP 98 2HB ASP 98 -25.724 -26.476 -2.331 708 2HB ASP 98 1HB ASP 98 -25.211 -27.851 -3.302 709 H MET 99 H MET 99 -23.356 -28.683 -3.874 710 HA MET 99 HA MET 99 -22.684 -31.056 -2.396 711 1HB MET 99 2HB MET 99 -22.516 -32.135 -4.577 712 2HB MET 99 1HB MET 99 -23.984 -31.175 -4.475 713 1HG MET 99 2HG MET 99 -22.871 -29.384 -5.744 714 2HG MET 99 1HG MET 99 -21.442 -30.405 -5.895 715 1HE MET 99 1HE MET 99 -25.543 -31.443 -7.749 716 2HE MET 99 2HE MET 99 -25.232 -29.969 -6.832 717 3HE MET 99 3HE MET 99 -25.207 -31.535 -6.019 718 H ASN 100 H ASN 100 -20.921 -28.406 -3.353 719 HA ASN 100 HA ASN 100 -18.426 -29.844 -3.772 720 1HB ASN 100 2HB ASN 100 -17.465 -27.551 -4.045 721 2HB ASN 100 1HB ASN 100 -18.756 -27.930 -5.181 722 1HD2 ASN 100 1HD2 ASN 100 -17.868 -26.067 -2.371 723 2HD2 ASN 100 2HD2 ASN 100 -19.196 -24.966 -2.450 724 H ASP 101 H ASP 101 -20.193 -29.062 -1.158 725 HA ASP 101 HA ASP 101 -19.772 -29.085 1.073 726 1HB ASP 101 2HB ASP 101 -18.262 -30.978 0.351 727 2HB ASP 101 1HB ASP 101 -16.934 -29.827 0.327 728 H SER 102 H SER 102 -18.026 -28.130 2.768 729 HA SER 102 HA SER 102 -17.824 -25.343 2.202 730 1HB SER 102 2HB SER 102 -16.541 -26.897 4.466 731 2HB SER 102 1HB SER 102 -16.849 -25.160 4.418 732 HG SER 102 HG SER 102 -18.598 -27.284 4.858 733 H ALA 103 H ALA 103 -15.834 -28.075 1.707 734 HA ALA 103 HA ALA 103 -13.252 -27.098 1.734 735 1HB ALA 103 1HB ALA 103 -14.451 -29.058 -0.230 736 2HB ALA 103 2HB ALA 103 -13.823 -29.450 1.371 737 3HB ALA 103 3HB ALA 103 -12.731 -28.861 0.119 738 H SER 104 H SER 104 -15.247 -27.382 -1.221 739 HA SER 104 HA SER 104 -13.511 -25.611 -2.659 740 1HB SER 104 2HB SER 104 -16.234 -26.650 -3.479 741 2HB SER 104 1HB SER 104 -14.985 -25.997 -4.541 742 HG SER 104 HG SER 104 -14.753 -28.174 -4.645 743 H MET 105 H MET 105 -16.010 -25.118 -0.494 744 HA MET 105 HA MET 105 -17.253 -22.823 -1.617 745 1HB MET 105 2HB MET 105 -18.320 -24.144 0.154 746 2HB MET 105 1HB MET 105 -17.037 -23.700 1.275 747 1HG MET 105 2HG MET 105 -17.720 -21.347 1.087 748 2HG MET 105 1HG MET 105 -19.026 -21.825 0.002 749 1HE MET 105 1HE MET 105 -21.140 -23.280 0.770 750 2HE MET 105 2HE MET 105 -21.264 -24.008 2.373 751 3HE MET 105 3HE MET 105 -20.005 -24.539 1.260 752 H ASN 106 H ASN 106 -14.566 -23.309 0.641 753 HA ASN 106 HA ASN 106 -14.018 -20.557 1.076 754 1HB ASN 106 2HB ASN 106 -13.170 -22.336 2.557 755 2HB ASN 106 1HB ASN 106 -12.167 -22.953 1.250 756 1HD2 ASN 106 1HD2 ASN 106 -10.271 -22.692 2.365 757 2HD2 ASN 106 2HD2 ASN 106 -9.582 -21.133 2.687 758 H ILE 107 H ILE 107 -13.038 -22.884 -1.344 759 HA ILE 107 HA ILE 107 -10.964 -21.310 -2.492 760 HB ILE 107 HB ILE 107 -12.511 -23.576 -3.751 761 1HG1 ILE 107 2HG1 ILE 107 -9.908 -23.633 -2.205 762 2HG1 ILE 107 1HG1 ILE 107 -11.461 -24.199 -1.597 763 1HG2 ILE 107 1HG2 ILE 107 -9.805 -22.417 -4.417 764 2HG2 ILE 107 2HG2 ILE 107 -11.274 -22.248 -5.375 765 3HG2 ILE 107 3HG2 ILE 107 -10.533 -23.833 -5.174 766 1HD1 ILE 107 1HD1 ILE 107 -9.998 -25.340 -3.966 767 2HD1 ILE 107 2HD1 ILE 107 -11.527 -25.920 -3.305 768 3HD1 ILE 107 3HD1 ILE 107 -10.052 -26.037 -2.347 769 H TRP 108 H TRP 108 -14.316 -22.010 -3.491 770 HA TRP 108 HA TRP 108 -14.333 -20.502 -5.848 771 1HB TRP 108 2HB TRP 108 -16.088 -22.086 -5.409 772 2HB TRP 108 1HB TRP 108 -16.565 -21.236 -3.945 773 HD1 TRP 108 HD TRP 108 -16.778 -20.935 -7.776 774 HE1 TRP 108 1HE TRP 108 -18.705 -19.322 -8.352 775 HE3 TRP 108 3HE TRP 108 -17.946 -19.328 -3.057 776 HZ2 TRP 108 2HZ TRP 108 -20.467 -17.594 -6.988 777 HZ3 TRP 108 3HZ TRP 108 -19.767 -17.699 -2.785 778 HH2 TRP 108 HH TRP 108 -20.999 -16.852 -4.711 779 H LEU 109 H LEU 109 -15.334 -19.591 -2.576 780 HA LEU 109 HA LEU 109 -16.217 -16.997 -3.241 781 1HB LEU 109 2HB LEU 109 -16.564 -18.525 -1.122 782 2HB LEU 109 1HB LEU 109 -15.150 -17.678 -0.532 783 HG LEU 109 HG LEU 109 -17.533 -16.137 -1.512 784 1HD1 LEU 109 1HD1 LEU 109 -18.370 -17.756 0.124 785 2HD1 LEU 109 2HD1 LEU 109 -18.411 -16.111 0.754 786 3HD1 LEU 109 3HD1 LEU 109 -17.144 -17.221 1.275 787 1HD2 LEU 109 1HD2 LEU 109 -16.697 -14.467 0.047 788 2HD2 LEU 109 2HD2 LEU 109 -15.437 -14.938 -1.094 789 3HD2 LEU 109 3HD2 LEU 109 -15.413 -15.563 0.555 790 H HIS 110 H HIS 110 -13.115 -18.303 -2.228 791 HA HIS 110 HA HIS 110 -11.736 -15.914 -1.772 792 1HB HIS 110 2HB HIS 110 -10.892 -18.181 -1.188 793 2HB HIS 110 1HB HIS 110 -10.622 -18.494 -2.897 794 HD1 HIS 110 1HD HIS 110 -8.297 -18.110 -3.622 795 HD2 HIS 110 2HD HIS 110 -9.284 -15.789 -0.318 796 HE1 HIS 110 1HE HIS 110 -6.185 -16.898 -2.994 797 HE2 HIS 110 2HE HIS 110 -6.783 -15.556 -0.944 798 H LYS 111 H LYS 111 -12.297 -17.739 -4.746 799 HA LYS 111 HA LYS 111 -10.643 -16.177 -6.433 800 1HB LYS 111 2HB LYS 111 -13.100 -17.807 -7.119 801 2HB LYS 111 1HB LYS 111 -11.954 -17.169 -8.285 802 1HG LYS 111 2HG LYS 111 -10.204 -18.577 -7.364 803 2HG LYS 111 1HG LYS 111 -11.329 -19.198 -6.150 804 1HD LYS 111 2HD LYS 111 -12.770 -20.043 -7.964 805 2HD LYS 111 1HD LYS 111 -11.585 -19.475 -9.139 806 1HE LYS 111 2HE LYS 111 -10.992 -21.486 -6.982 807 2HE LYS 111 1HE LYS 111 -11.456 -21.910 -8.628 808 1HZ LYS 111 1HZ LYS 111 -9.019 -20.468 -7.756 809 2HZ LYS 111 2HZ LYS 111 -9.506 -20.576 -9.378 810 3HZ LYS 111 3HZ LYS 111 -9.111 -21.975 -8.516 811 H GLN 112 H GLN 112 -14.126 -16.124 -5.792 812 HA GLN 112 HA GLN 112 -14.813 -14.143 -7.633 813 1HB GLN 112 2HB GLN 112 -16.119 -15.002 -5.062 814 2HB GLN 112 1HB GLN 112 -16.838 -13.824 -6.146 815 1HG GLN 112 2HG GLN 112 -16.154 -16.673 -6.839 816 2HG GLN 112 1HG GLN 112 -17.764 -16.055 -6.475 817 1HE2 GLN 112 1HE2 GLN 112 -15.201 -16.178 -8.801 818 2HE2 GLN 112 2HE2 GLN 112 -16.092 -15.510 -10.117 819 H VAL 113 H VAL 113 -13.971 -13.815 -4.188 820 HA VAL 113 HA VAL 113 -14.417 -11.034 -4.048 821 HB VAL 113 HB VAL 113 -12.601 -12.769 -2.367 822 1HG1 VAL 113 1HG1 VAL 113 -11.907 -10.424 -2.236 823 2HG1 VAL 113 2HG1 VAL 113 -12.647 -10.952 -0.724 824 3HG1 VAL 113 3HG1 VAL 113 -13.564 -9.952 -1.852 825 1HG2 VAL 113 1HG2 VAL 113 -14.953 -13.392 -2.259 826 2HG2 VAL 113 2HG2 VAL 113 -15.389 -11.723 -1.892 827 3HG2 VAL 113 3HG2 VAL 113 -14.433 -12.657 -0.740 828 H MET 114 H MET 114 -11.509 -12.908 -4.860 829 HA MET 114 HA MET 114 -9.725 -10.729 -4.929 830 1HB MET 114 2HB MET 114 -9.652 -13.324 -6.472 831 2HB MET 114 1HB MET 114 -8.335 -12.161 -6.427 832 1HG MET 114 2HG MET 114 -8.199 -12.466 -3.986 833 2HG MET 114 1HG MET 114 -9.451 -13.699 -4.098 834 1HE MET 114 1HE MET 114 -9.142 -15.898 -5.684 835 2HE MET 114 2HE MET 114 -7.602 -16.336 -6.425 836 3HE MET 114 3HE MET 114 -8.496 -14.936 -7.015 837 H SER 115 H SER 115 -11.954 -12.034 -7.297 838 HA SER 115 HA SER 115 -11.025 -10.555 -9.519 839 1HB SER 115 2HB SER 115 -12.469 -12.550 -9.714 840 2HB SER 115 1HB SER 115 -13.798 -11.649 -8.986 841 HG SER 115 HG SER 115 -12.965 -10.155 -10.954 842 H LYS 116 H LYS 116 -12.822 -9.635 -6.752 843 HA LYS 116 HA LYS 116 -13.833 -7.205 -8.060 844 1HB LYS 116 2HB LYS 116 -14.337 -8.008 -5.203 845 2HB LYS 116 1HB LYS 116 -15.280 -6.926 -6.212 846 1HG LYS 116 2HG LYS 116 -15.058 -9.900 -6.581 847 2HG LYS 116 1HG LYS 116 -16.403 -9.057 -5.816 848 1HD LYS 116 2HD LYS 116 -16.846 -7.882 -7.922 849 2HD LYS 116 1HD LYS 116 -15.506 -8.749 -8.679 850 1HE LYS 116 2HE LYS 116 -16.621 -10.868 -8.281 851 2HE LYS 116 1HE LYS 116 -17.939 -10.042 -7.453 852 1HZ LYS 116 1HZ LYS 116 -18.472 -8.907 -9.521 853 2HZ LYS 116 2HZ LYS 116 -18.535 -10.591 -9.717 854 3HZ LYS 116 3HZ LYS 116 -17.209 -9.720 -10.314 855 H LEU 117 H LEU 117 -11.195 -8.305 -6.358 856 HA LEU 117 HA LEU 117 -10.762 -5.757 -4.962 857 1HB LEU 117 2HB LEU 117 -10.826 -7.784 -3.565 858 2HB LEU 117 1HB LEU 117 -9.487 -8.448 -4.480 859 HG LEU 117 HG LEU 117 -8.062 -6.572 -3.690 860 1HD1 LEU 117 1HD1 LEU 117 -9.853 -4.950 -3.290 861 2HD1 LEU 117 2HD1 LEU 117 -8.842 -5.172 -1.863 862 3HD1 LEU 117 3HD1 LEU 117 -10.432 -5.929 -1.943 863 1HD2 LEU 117 1HD2 LEU 117 -8.018 -8.711 -2.537 864 2HD2 LEU 117 2HD2 LEU 117 -9.390 -8.221 -1.541 865 3HD2 LEU 117 3HD2 LEU 117 -7.843 -7.389 -1.382 866 H VAL 118 H VAL 118 -8.615 -8.295 -6.284 867 HA VAL 118 HA VAL 118 -6.524 -6.381 -6.641 868 HB VAL 118 HB VAL 118 -5.192 -8.214 -7.546 869 1HG1 VAL 118 1HG1 VAL 118 -5.237 -9.678 -5.573 870 2HG1 VAL 118 2HG1 VAL 118 -6.790 -8.987 -5.109 871 3HG1 VAL 118 3HG1 VAL 118 -5.349 -7.973 -5.135 872 1HG2 VAL 118 1HG2 VAL 118 -6.116 -10.478 -7.734 873 2HG2 VAL 118 2HG2 VAL 118 -6.911 -9.360 -8.843 874 3HG2 VAL 118 3HG2 VAL 118 -7.721 -9.851 -7.355 875 H ALA 119 H ALA 119 -9.090 -7.464 -8.615 876 HA ALA 119 HA ALA 119 -7.852 -6.924 -11.139 877 1HB ALA 119 1HB ALA 119 -10.778 -7.139 -10.439 878 2HB ALA 119 2HB ALA 119 -9.735 -8.470 -10.943 879 3HB ALA 119 3HB ALA 119 -10.094 -7.157 -12.064 880 H ASN 120 H ASN 120 -8.644 -4.911 -8.680 881 HA ASN 120 HA ASN 120 -9.630 -2.717 -10.325 882 1HB ASN 120 2HB ASN 120 -9.109 -3.008 -7.367 883 2HB ASN 120 1HB ASN 120 -9.470 -1.451 -8.100 884 1HD2 ASN 120 1HD2 ASN 120 -10.903 -4.419 -9.249 885 2HD2 ASN 120 2HD2 ASN 120 -12.508 -4.093 -8.684 886 H GLY 121 H GLY 121 -6.684 -4.058 -9.731 887 1HA GLY 121 2HA GLY 121 -4.884 -2.729 -10.928 888 2HA GLY 121 1HA GLY 121 -5.287 -1.455 -9.787 889 H GLY 122 H GLY 122 -5.720 -4.079 -8.007 890 1HA GLY 122 2HA GLY 122 -3.320 -3.842 -6.545 891 2HA GLY 122 1HA GLY 122 -4.541 -5.089 -6.331 892 H LYS 123 H LYS 123 -1.546 -5.066 -6.432 893 HA LYS 123 HA LYS 123 -1.184 -7.120 -8.510 894 1HB LYS 123 2HB LYS 123 0.165 -4.949 -8.670 895 2HB LYS 123 1HB LYS 123 1.004 -5.484 -7.226 896 1HG LYS 123 2HG LYS 123 0.901 -7.434 -9.428 897 2HG LYS 123 1HG LYS 123 1.848 -5.979 -9.732 898 1HD LYS 123 2HD LYS 123 2.185 -7.793 -7.342 899 2HD LYS 123 1HD LYS 123 3.187 -7.839 -8.794 900 1HE LYS 123 2HE LYS 123 3.765 -5.442 -8.365 901 2HE LYS 123 1HE LYS 123 2.916 -5.571 -6.828 902 1HZ LYS 123 1HZ LYS 123 4.456 -7.389 -6.231 903 2HZ LYS 123 2HZ LYS 123 5.241 -5.905 -6.473 904 3HZ LYS 123 3HZ LYS 123 5.320 -7.101 -7.667 905 H LEU 124 H LEU 124 -0.324 -9.062 -7.885 906 HA LEU 124 HA LEU 124 0.435 -9.353 -5.089 907 1HB LEU 124 2HB LEU 124 -0.799 -11.561 -5.031 908 2HB LEU 124 1HB LEU 124 -1.763 -10.113 -4.918 909 HG LEU 124 HG LEU 124 -2.840 -11.879 -6.238 910 1HD1 LEU 124 1HD1 LEU 124 -3.456 -9.605 -6.717 911 2HD1 LEU 124 2HD1 LEU 124 -3.449 -10.556 -8.202 912 3HD1 LEU 124 3HD1 LEU 124 -2.119 -9.453 -7.856 913 1HD2 LEU 124 1HD2 LEU 124 -0.596 -11.523 -8.205 914 2HD2 LEU 124 2HD2 LEU 124 -2.038 -12.517 -8.427 915 3HD2 LEU 124 3HD2 LEU 124 -0.860 -12.933 -7.180 916 HA PRO 125 HA PRO 125 3.774 -11.898 -6.579 917 1HB PRO 125 2HB PRO 125 3.162 -13.676 -4.281 918 2HB PRO 125 1HB PRO 125 4.676 -12.870 -4.707 919 1HG PRO 125 2HG PRO 125 3.195 -12.010 -2.661 920 2HG PRO 125 1HG PRO 125 4.047 -10.872 -3.721 921 1HD PRO 125 2HD PRO 125 1.147 -11.603 -3.663 922 2HD PRO 125 1HD PRO 125 1.908 -10.019 -3.929 923 HA PRO 126 HA PRO 126 1.901 -15.142 -8.905 924 1HB PRO 126 2HB PRO 126 4.330 -16.774 -8.499 925 2HB PRO 126 1HB PRO 126 3.619 -16.167 -9.997 926 1HG PRO 126 2HG PRO 126 5.869 -15.116 -9.010 927 2HG PRO 126 1HG PRO 126 4.649 -14.100 -9.802 928 1HD PRO 126 2HD PRO 126 5.192 -14.487 -6.883 929 2HD PRO 126 1HD PRO 126 4.816 -12.995 -7.769 930 H GLU 127 H GLU 127 2.510 -15.471 -5.695 931 HA GLU 127 HA GLU 127 1.960 -18.260 -5.328 932 1HB GLU 127 2HB GLU 127 1.888 -15.924 -3.407 933 2HB GLU 127 1HB GLU 127 1.718 -17.609 -2.937 934 1HG GLU 127 2HG GLU 127 4.132 -16.502 -4.342 935 2HG GLU 127 1HG GLU 127 3.985 -16.636 -2.589 936 H ILE 128 H ILE 128 0.104 -15.310 -5.573 937 HA ILE 128 HA ILE 128 -2.254 -16.607 -4.464 938 HB ILE 128 HB ILE 128 -1.979 -13.750 -5.421 939 1HG1 ILE 128 2HG1 ILE 128 -2.216 -13.313 -2.896 940 2HG1 ILE 128 1HG1 ILE 128 -1.805 -15.009 -2.681 941 1HG2 ILE 128 1HG2 ILE 128 -4.170 -15.127 -3.877 942 2HG2 ILE 128 2HG2 ILE 128 -4.253 -14.621 -5.562 943 3HG2 ILE 128 3HG2 ILE 128 -4.120 -13.409 -4.284 944 1HD1 ILE 128 1HD1 ILE 128 0.344 -14.642 -3.746 945 2HD1 ILE 128 2HD1 ILE 128 0.120 -13.554 -2.377 946 3HD1 ILE 128 3HD1 ILE 128 -0.074 -12.950 -4.022 947 H LYS 129 H LYS 129 -2.239 -18.110 -6.202 948 HA LYS 129 HA LYS 129 -4.298 -17.421 -8.073 949 1HB LYS 129 2HB LYS 129 -1.532 -18.093 -9.037 950 2HB LYS 129 1HB LYS 129 -2.926 -18.637 -9.956 951 1HG LYS 129 2HG LYS 129 -2.269 -15.779 -9.274 952 2HG LYS 129 1HG LYS 129 -2.034 -16.555 -10.839 953 1HD LYS 129 2HD LYS 129 -4.718 -16.346 -9.492 954 2HD LYS 129 1HD LYS 129 -4.109 -15.133 -10.617 955 1HE LYS 129 2HE LYS 129 -4.440 -18.061 -11.270 956 2HE LYS 129 1HE LYS 129 -5.626 -16.817 -11.656 957 1HZ LYS 129 1HZ LYS 129 -3.895 -15.690 -12.975 958 2HZ LYS 129 2HZ LYS 129 -4.269 -17.232 -13.569 959 3HZ LYS 129 3HZ LYS 129 -2.843 -16.991 -12.686 960 H HIS 130 H HIS 130 -5.524 -18.898 -6.975 961 HA HIS 130 HA HIS 130 -4.768 -21.698 -7.342 962 1HB HIS 130 2HB HIS 130 -5.771 -20.507 -4.743 963 2HB HIS 130 1HB HIS 130 -5.653 -22.233 -5.067 964 HD1 HIS 130 1HD HIS 130 -2.955 -22.752 -6.027 965 HD2 HIS 130 2HD HIS 130 -3.673 -19.756 -3.226 966 HE1 HIS 130 1HE HIS 130 -0.755 -22.353 -4.874 967 HE2 HIS 130 2HE HIS 130 -1.244 -20.644 -3.084 Start of MODEL 15 1 1H MET 1 1HT MET 1 -23.227 -6.660 4.214 2 2H MET 1 2HT MET 1 -24.640 -6.548 3.279 3 3H MET 1 3HT MET 1 -24.415 -5.512 4.601 4 HA MET 1 HA MET 1 -24.021 -4.394 2.477 5 1HB MET 1 2HB MET 1 -22.648 -4.153 4.790 6 2HB MET 1 1HB MET 1 -21.325 -4.593 3.720 7 1HG MET 1 2HG MET 1 -21.874 -2.710 2.261 8 2HG MET 1 1HG MET 1 -23.201 -2.271 3.336 9 1HE MET 1 1HE MET 1 -20.662 0.603 4.015 10 2HE MET 1 2HE MET 1 -22.309 0.182 3.545 11 3HE MET 1 3HE MET 1 -20.962 -0.185 2.466 12 H SER 2 H SER 2 -21.303 -4.214 1.482 13 HA SER 2 HA SER 2 -21.070 -6.789 0.089 14 1HB SER 2 2HB SER 2 -20.405 -4.077 -1.082 15 2HB SER 2 1HB SER 2 -20.418 -5.623 -1.929 16 HG SER 2 HG SER 2 -22.614 -5.669 -1.858 17 H ILE 3 H ILE 3 -19.471 -7.659 1.299 18 HA ILE 3 HA ILE 3 -17.545 -6.209 2.685 19 HB ILE 3 HB ILE 3 -17.449 -9.115 1.902 20 1HG1 ILE 3 2HG1 ILE 3 -18.721 -7.630 4.199 21 2HG1 ILE 3 1HG1 ILE 3 -19.504 -8.684 3.032 22 1HG2 ILE 3 1HG2 ILE 3 -16.047 -7.621 4.110 23 2HG2 ILE 3 2HG2 ILE 3 -15.289 -8.300 2.671 24 3HG2 ILE 3 3HG2 ILE 3 -16.014 -9.368 3.876 25 1HD1 ILE 3 1HD1 ILE 3 -18.352 -10.602 3.988 26 2HD1 ILE 3 2HD1 ILE 3 -19.318 -9.753 5.192 27 3HD1 ILE 3 3HD1 ILE 3 -17.566 -9.547 5.160 28 H PHE 4 H PHE 4 -17.293 -7.754 -0.501 29 HA PHE 4 HA PHE 4 -14.505 -7.434 -0.749 30 1HB PHE 4 2HB PHE 4 -14.904 -7.621 -3.226 31 2HB PHE 4 1HB PHE 4 -15.547 -8.941 -2.262 32 HD1 PHE 4 1HD PHE 4 -16.495 -5.817 -4.022 33 HD2 PHE 4 2HD PHE 4 -17.795 -9.531 -2.399 34 HE1 PHE 4 1HE PHE 4 -18.696 -5.503 -5.079 35 HE2 PHE 4 2HE PHE 4 -19.995 -9.221 -3.448 36 HZ PHE 4 HZ PHE 4 -20.450 -7.206 -4.790 37 H GLY 5 H GLY 5 -17.121 -5.194 -1.119 38 1HA GLY 5 2HA GLY 5 -15.427 -3.200 -2.402 39 2HA GLY 5 1HA GLY 5 -17.123 -3.007 -1.976 40 H LYS 6 H LYS 6 -16.108 -4.254 0.714 41 HA LYS 6 HA LYS 6 -15.676 -1.689 1.998 42 1HB LYS 6 2HB LYS 6 -16.055 -4.476 3.103 43 2HB LYS 6 1HB LYS 6 -15.850 -3.040 4.096 44 1HG LYS 6 2HG LYS 6 -17.911 -2.133 3.378 45 2HG LYS 6 1HG LYS 6 -18.061 -3.318 2.079 46 1HD LYS 6 2HD LYS 6 -19.544 -3.864 3.936 47 2HD LYS 6 1HD LYS 6 -18.306 -5.102 3.726 48 1HE LYS 6 2HE LYS 6 -18.638 -4.601 6.087 49 2HE LYS 6 1HE LYS 6 -17.019 -4.142 5.567 50 1HZ LYS 6 1HZ LYS 6 -17.783 -1.834 5.415 51 2HZ LYS 6 2HZ LYS 6 -17.972 -2.458 6.978 52 3HZ LYS 6 3HZ LYS 6 -19.319 -2.299 5.967 53 H ILE 7 H ILE 7 -14.014 -4.809 1.644 54 HA ILE 7 HA ILE 7 -11.803 -4.125 3.273 55 HB ILE 7 HB ILE 7 -10.658 -6.066 2.239 56 1HG1 ILE 7 2HG1 ILE 7 -13.187 -6.301 0.594 57 2HG1 ILE 7 1HG1 ILE 7 -11.616 -5.826 -0.035 58 1HG2 ILE 7 1HG2 ILE 7 -12.140 -6.355 4.156 59 2HG2 ILE 7 2HG2 ILE 7 -12.202 -7.758 3.088 60 3HG2 ILE 7 3HG2 ILE 7 -13.511 -6.577 3.070 61 1HD1 ILE 7 1HD1 ILE 7 -12.303 -8.491 1.175 62 2HD1 ILE 7 2HD1 ILE 7 -10.726 -8.021 0.539 63 3HD1 ILE 7 3HD1 ILE 7 -12.114 -8.138 -0.541 64 H MET 8 H MET 8 -12.502 -3.619 -0.117 65 HA MET 8 HA MET 8 -9.807 -3.083 -0.879 66 1HB MET 8 2HB MET 8 -10.743 -2.289 -2.995 67 2HB MET 8 1HB MET 8 -11.434 -3.834 -2.531 68 1HG MET 8 2HG MET 8 -13.234 -2.620 -3.351 69 2HG MET 8 1HG MET 8 -13.390 -2.484 -1.603 70 1HE MET 8 1HE MET 8 -12.277 -0.646 -4.908 71 2HE MET 8 2HE MET 8 -10.829 -0.591 -3.906 72 3HE MET 8 3HE MET 8 -11.710 0.895 -4.267 73 H SER 9 H SER 9 -12.112 -1.286 0.821 74 HA SER 9 HA SER 9 -11.513 1.324 -0.085 75 1HB SER 9 2HB SER 9 -13.549 0.638 1.242 76 2HB SER 9 1HB SER 9 -12.512 0.541 2.663 77 HG SER 9 HG SER 9 -12.789 2.867 1.060 78 H ALA 10 H ALA 10 -10.018 -0.812 2.237 79 HA ALA 10 HA ALA 10 -8.263 1.266 3.237 80 1HB ALA 10 1HB ALA 10 -7.311 -0.499 4.632 81 2HB ALA 10 2HB ALA 10 -8.276 -1.703 3.777 82 3HB ALA 10 3HB ALA 10 -9.070 -0.471 4.756 83 H ILE 11 H ILE 11 -8.087 -1.636 1.249 84 HA ILE 11 HA ILE 11 -5.319 -1.702 0.836 85 HB ILE 11 HB ILE 11 -7.477 -2.660 -1.054 86 1HG1 ILE 11 2HG1 ILE 11 -6.058 -4.176 1.143 87 2HG1 ILE 11 1HG1 ILE 11 -7.682 -3.515 1.288 88 1HG2 ILE 11 1HG2 ILE 11 -5.267 -2.564 -2.085 89 2HG2 ILE 11 2HG2 ILE 11 -5.781 -4.234 -1.844 90 3HG2 ILE 11 3HG2 ILE 11 -4.595 -3.511 -0.756 91 1HD1 ILE 11 1HD1 ILE 11 -6.789 -5.633 -0.652 92 2HD1 ILE 11 2HD1 ILE 11 -8.414 -4.957 -0.550 93 3HD1 ILE 11 3HD1 ILE 11 -7.756 -5.878 0.802 94 H PHE 12 H PHE 12 -7.906 -0.308 -1.161 95 HA PHE 12 HA PHE 12 -5.904 0.948 -2.876 96 1HB PHE 12 2HB PHE 12 -8.915 0.752 -3.126 97 2HB PHE 12 1HB PHE 12 -7.871 1.555 -4.292 98 HD1 PHE 12 1HD PHE 12 -8.896 -1.675 -2.898 99 HD2 PHE 12 2HD PHE 12 -6.516 0.300 -5.814 100 HE1 PHE 12 1HE PHE 12 -8.570 -3.811 -4.066 101 HE2 PHE 12 2HE PHE 12 -6.187 -1.835 -6.993 102 HZ PHE 12 HZ PHE 12 -7.213 -3.894 -6.118 103 H GLY 13 H GLY 13 -6.816 1.728 -0.027 104 1HA GLY 13 2HA GLY 13 -7.637 4.498 -0.623 105 2HA GLY 13 1HA GLY 13 -7.953 3.660 0.889 106 H ASP 14 H ASP 14 -4.861 2.905 -0.135 107 HA ASP 14 HA ASP 14 -3.638 5.285 1.012 108 1HB ASP 14 2HB ASP 14 -4.083 3.665 2.911 109 2HB ASP 14 1HB ASP 14 -2.940 2.571 2.138 110 H SER 15 H SER 15 -1.533 5.607 0.434 111 HA SER 15 HA SER 15 -0.016 3.516 -0.871 112 1HB SER 15 2HB SER 15 -0.623 6.140 -2.274 113 2HB SER 15 1HB SER 15 0.485 4.897 -2.856 114 HG SER 15 HG SER 15 -1.899 3.797 -2.296 115 H ALA 16 H ALA 16 0.037 5.128 1.612 116 HA ALA 16 HA ALA 16 2.664 6.386 1.294 117 1HB ALA 16 1HB ALA 16 1.026 8.181 0.979 118 2HB ALA 16 2HB ALA 16 1.980 8.412 2.446 119 3HB ALA 16 3HB ALA 16 0.326 7.809 2.554 120 H ALA 17 H ALA 17 0.089 5.618 3.621 121 HA ALA 17 HA ALA 17 2.010 5.537 5.799 122 1HB ALA 17 1HB ALA 17 0.102 5.217 7.241 123 2HB ALA 17 2HB ALA 17 -0.948 4.962 5.847 124 3HB ALA 17 3HB ALA 17 -0.215 6.543 6.120 125 H ALA 18 H ALA 18 0.316 3.341 3.713 126 HA ALA 18 HA ALA 18 1.589 1.079 5.132 127 1HB ALA 18 1HB ALA 18 -0.922 1.059 3.456 128 2HB ALA 18 2HB ALA 18 -0.854 0.979 5.217 129 3HB ALA 18 3HB ALA 18 -0.194 -0.339 4.250 130 H SER 19 H SER 19 2.642 2.882 3.054 131 HA SER 19 HA SER 19 2.507 1.729 0.492 132 1HB SER 19 2HB SER 19 4.577 3.168 0.095 133 2HB SER 19 1HB SER 19 3.130 4.014 0.646 134 HG SER 19 HG SER 19 4.166 4.588 2.385 135 HA PRO 20 HA PRO 20 5.407 -1.681 0.821 136 1HB PRO 20 2HB PRO 20 5.626 -1.342 -2.092 137 2HB PRO 20 1HB PRO 20 5.098 -2.748 -1.165 138 1HG PRO 20 2HG PRO 20 3.387 -1.241 -2.605 139 2HG PRO 20 1HG PRO 20 2.911 -2.047 -1.102 140 1HD PRO 20 2HD PRO 20 3.546 0.822 -1.597 141 2HD PRO 20 1HD PRO 20 2.344 0.097 -0.507 142 H GLY 21 H GLY 21 7.367 -1.106 1.588 143 1HA GLY 21 2HA GLY 21 9.396 -0.213 -0.197 144 2HA GLY 21 1HA GLY 21 8.885 1.084 0.875 145 H GLY 22 H GLY 22 11.409 0.458 1.095 146 1HA GLY 22 2HA GLY 22 11.537 -1.157 3.563 147 2HA GLY 22 1HA GLY 22 12.803 -1.206 2.341 148 H ALA 23 H ALA 23 13.425 -0.608 4.932 149 HA ALA 23 HA ALA 23 14.226 2.201 4.697 150 1HB ALA 23 1HB ALA 23 13.147 0.958 7.230 151 2HB ALA 23 2HB ALA 23 12.299 2.129 6.219 152 3HB ALA 23 3HB ALA 23 13.779 2.595 7.061 153 H GLN 24 H GLN 24 16.156 2.712 5.885 154 HA GLN 24 HA GLN 24 17.824 0.327 6.336 155 1HB GLN 24 2HB GLN 24 18.655 3.147 5.618 156 2HB GLN 24 1HB GLN 24 19.760 1.814 5.916 157 1HG GLN 24 2HG GLN 24 17.779 2.066 3.667 158 2HG GLN 24 1HG GLN 24 19.537 2.135 3.555 159 1HE2 GLN 24 1HE2 GLN 24 17.688 0.365 2.186 160 2HE2 GLN 24 2HE2 GLN 24 18.144 -1.244 2.626 161 H ALA 25 H ALA 25 19.596 0.687 7.968 162 HA ALA 25 HA ALA 25 18.404 1.452 10.443 163 1HB ALA 25 1HB ALA 25 20.534 0.796 11.438 164 2HB ALA 25 2HB ALA 25 21.270 0.722 9.839 165 3HB ALA 25 3HB ALA 25 19.997 -0.416 10.272 166 HA PRO 26 HA PRO 26 19.479 5.758 10.514 167 1HB PRO 26 2HB PRO 26 19.754 5.364 13.441 168 2HB PRO 26 1HB PRO 26 18.719 6.484 12.549 169 1HG PRO 26 2HG PRO 26 17.705 4.323 13.754 170 2HG PRO 26 1HG PRO 26 17.074 4.891 12.197 171 1HD PRO 26 2HD PRO 26 18.908 2.603 12.785 172 2HD PRO 26 1HD PRO 26 17.588 2.715 11.604 173 H ALA 27 H ALA 27 21.359 6.843 10.372 174 HA ALA 27 HA ALA 27 23.819 5.510 10.615 175 1HB ALA 27 1HB ALA 27 23.440 7.366 9.058 176 2HB ALA 27 2HB ALA 27 24.844 7.652 10.088 177 3HB ALA 27 3HB ALA 27 23.323 8.478 10.422 178 H THR 28 H THR 28 24.149 4.722 12.650 179 HA THR 28 HA THR 28 24.157 6.542 14.909 180 HB THR 28 HB THR 28 23.202 4.386 15.349 181 HG1 THR 28 1HG THR 28 24.340 3.910 17.171 182 1HG2 THR 28 1HG2 THR 28 25.826 3.192 14.459 183 2HG2 THR 28 2HG2 THR 28 24.292 3.094 13.593 184 3HG2 THR 28 3HG2 THR 28 24.474 2.304 15.159 185 H THR 29 H THR 29 25.879 7.521 15.663 186 HA THR 29 HA THR 29 28.031 8.039 16.200 187 HB THR 29 HB THR 29 28.841 5.367 15.036 188 HG1 THR 29 1HG THR 29 27.189 5.447 16.837 189 1HG2 THR 29 1HG2 THR 29 30.172 7.173 17.062 190 2HG2 THR 29 2HG2 THR 29 30.707 6.905 15.403 191 3HG2 THR 29 3HG2 THR 29 30.752 5.582 16.569 192 H GLY 30 H GLY 30 28.326 6.153 13.184 193 1HA GLY 30 2HA GLY 30 28.553 8.106 11.321 194 2HA GLY 30 1HA GLY 30 30.144 8.096 12.069 195 H ALA 31 H ALA 31 27.822 6.223 10.247 196 HA ALA 31 HA ALA 31 30.040 4.676 9.133 197 1HB ALA 31 1HB ALA 31 29.076 3.249 10.859 198 2HB ALA 31 2HB ALA 31 28.747 2.594 9.255 199 3HB ALA 31 3HB ALA 31 27.477 3.438 10.142 200 H ALA 32 H ALA 32 29.899 5.847 7.246 201 HA ALA 32 HA ALA 32 29.195 6.415 5.165 202 1HB ALA 32 1HB ALA 32 27.300 4.093 5.487 203 2HB ALA 32 2HB ALA 32 28.959 3.994 4.899 204 3HB ALA 32 3HB ALA 32 27.744 4.871 3.968 205 H GLY 33 H GLY 33 27.764 7.401 7.644 206 1HA GLY 33 2HA GLY 33 25.028 7.809 6.822 207 2HA GLY 33 1HA GLY 33 25.784 8.431 8.279 208 H THR 34 H THR 34 27.669 9.131 5.611 209 HA THR 34 HA THR 34 27.222 11.912 5.769 210 HB THR 34 HB THR 34 28.500 10.493 3.438 211 HG1 THR 34 1HG THR 34 30.208 10.047 4.655 212 1HG2 THR 34 1HG2 THR 34 29.909 12.484 3.356 213 2HG2 THR 34 2HG2 THR 34 29.076 13.149 4.761 214 3HG2 THR 34 3HG2 THR 34 28.208 12.926 3.240 215 H ALA 35 H ALA 35 25.914 9.375 3.752 216 HA ALA 35 HA ALA 35 24.534 11.342 2.078 217 1HB ALA 35 1HB ALA 35 25.708 9.519 0.934 218 2HB ALA 35 2HB ALA 35 23.970 9.465 0.634 219 3HB ALA 35 3HB ALA 35 24.703 8.344 1.782 220 HA PRO 36 HA PRO 36 20.954 10.698 4.721 221 1HB PRO 36 2HB PRO 36 19.619 12.463 2.790 222 2HB PRO 36 1HB PRO 36 19.887 12.696 4.519 223 1HG PRO 36 2HG PRO 36 21.204 14.131 2.649 224 2HG PRO 36 1HG PRO 36 21.936 13.693 4.202 225 1HD PRO 36 2HD PRO 36 22.339 12.467 1.502 226 2HD PRO 36 1HD PRO 36 23.526 12.792 2.784 227 H THR 37 H THR 37 19.997 8.772 4.444 228 HA THR 37 HA THR 37 19.226 7.861 1.811 229 HB THR 37 HB THR 37 18.810 6.550 4.506 230 HG1 THR 37 1HG THR 37 21.044 6.906 3.721 231 1HG2 THR 37 1HG2 THR 37 17.253 5.695 2.826 232 2HG2 THR 37 2HG2 THR 37 18.481 4.486 3.203 233 3HG2 THR 37 3HG2 THR 37 18.589 5.419 1.710 234 H ALA 38 H ALA 38 17.575 9.081 1.079 235 HA ALA 38 HA ALA 38 15.051 8.896 2.582 236 1HB ALA 38 1HB ALA 38 16.007 11.239 0.930 237 2HB ALA 38 2HB ALA 38 15.882 11.192 2.689 238 3HB ALA 38 3HB ALA 38 14.426 11.103 1.695 239 HA PRO 39 HA PRO 39 14.121 6.798 -1.325 240 1HB PRO 39 2HB PRO 39 11.626 6.118 0.069 241 2HB PRO 39 1HB PRO 39 12.866 5.046 -0.591 242 1HG PRO 39 2HG PRO 39 12.506 5.353 2.060 243 2HG PRO 39 1HG PRO 39 14.108 5.072 1.352 244 1HD PRO 39 2HD PRO 39 12.874 7.638 2.291 245 2HD PRO 39 1HD PRO 39 14.531 7.037 2.514 246 H GLN 40 H GLN 40 13.229 7.794 -3.014 247 HA GLN 40 HA GLN 40 11.162 9.814 -2.503 248 1HB GLN 40 2HB GLN 40 13.061 10.719 -3.656 249 2HB GLN 40 1HB GLN 40 13.043 9.414 -4.835 250 1HG GLN 40 2HG GLN 40 10.909 10.227 -5.705 251 2HG GLN 40 1HG GLN 40 10.920 11.528 -4.513 252 1HE2 GLN 40 1HE2 GLN 40 12.253 13.274 -4.804 253 2HE2 GLN 40 2HE2 GLN 40 13.099 13.578 -6.284 254 HA PRO 41 HA PRO 41 8.429 6.891 -4.593 255 1HB PRO 41 2HB PRO 41 6.256 8.240 -3.286 256 2HB PRO 41 1HB PRO 41 6.874 6.619 -2.970 257 1HG PRO 41 2HG PRO 41 7.063 8.735 -1.210 258 2HG PRO 41 1HG PRO 41 8.122 7.314 -1.197 259 1HD PRO 41 2HD PRO 41 8.623 10.045 -2.312 260 2HD PRO 41 1HD PRO 41 9.737 8.946 -1.469 261 H THR 42 H THR 42 8.384 7.600 -6.669 262 HA THR 42 HA THR 42 7.680 10.303 -7.342 263 HB THR 42 HB THR 42 8.017 7.935 -9.195 264 HG1 THR 42 1HG THR 42 9.947 9.861 -8.340 265 1HG2 THR 42 1HG2 THR 42 8.244 10.904 -9.695 266 2HG2 THR 42 2HG2 THR 42 6.913 9.872 -10.213 267 3HG2 THR 42 3HG2 THR 42 8.526 9.629 -10.882 268 H ALA 43 H ALA 43 6.242 7.113 -7.844 269 HA ALA 43 HA ALA 43 3.587 8.156 -7.574 270 1HB ALA 43 1HB ALA 43 4.447 7.092 -10.266 271 2HB ALA 43 2HB ALA 43 3.992 8.757 -9.905 272 3HB ALA 43 3HB ALA 43 2.791 7.471 -9.798 273 H ALA 44 H ALA 44 2.037 6.215 -8.376 274 HA ALA 44 HA ALA 44 3.176 3.628 -7.717 275 1HB ALA 44 1HB ALA 44 2.523 4.521 -5.524 276 2HB ALA 44 2HB ALA 44 1.515 3.151 -5.988 277 3HB ALA 44 3HB ALA 44 0.886 4.792 -6.122 278 HA PRO 45 HA PRO 45 0.137 3.657 -11.107 279 1HB PRO 45 2HB PRO 45 1.431 1.970 -12.730 280 2HB PRO 45 1HB PRO 45 1.946 3.646 -12.541 281 1HG PRO 45 2HG PRO 45 3.061 1.169 -11.276 282 2HG PRO 45 1HG PRO 45 3.922 2.537 -12.005 283 1HD PRO 45 2HD PRO 45 3.537 2.254 -9.314 284 2HD PRO 45 1HD PRO 45 3.721 3.826 -10.118 285 H SER 46 H SER 46 1.040 1.283 -8.902 286 HA SER 46 HA SER 46 -1.328 -0.257 -9.517 287 1HB SER 46 2HB SER 46 0.658 -1.278 -10.799 288 2HB SER 46 1HB SER 46 1.280 -1.750 -9.216 289 HG SER 46 HG SER 46 -1.334 -2.387 -10.117 290 H ILE 47 H ILE 47 -2.136 -1.348 -7.729 291 HA ILE 47 HA ILE 47 -1.037 -0.426 -5.186 292 HB ILE 47 HB ILE 47 -3.682 -1.661 -5.939 293 1HG1 ILE 47 2HG1 ILE 47 -3.406 0.690 -6.551 294 2HG1 ILE 47 1HG1 ILE 47 -4.597 0.513 -5.269 295 1HG2 ILE 47 1HG2 ILE 47 -3.046 -2.490 -3.746 296 2HG2 ILE 47 2HG2 ILE 47 -4.400 -1.367 -3.635 297 3HG2 ILE 47 3HG2 ILE 47 -2.778 -0.836 -3.186 298 1HD1 ILE 47 1HD1 ILE 47 -3.188 2.424 -4.852 299 2HD1 ILE 47 2HD1 ILE 47 -1.748 1.411 -4.936 300 3HD1 ILE 47 3HD1 ILE 47 -2.908 1.188 -3.627 301 H ASP 48 H ASP 48 0.495 -1.765 -4.385 302 HA ASP 48 HA ASP 48 0.462 -4.592 -4.921 303 1HB ASP 48 2HB ASP 48 2.532 -3.086 -4.639 304 2HB ASP 48 1HB ASP 48 2.227 -3.203 -2.911 305 H VAL 49 H VAL 49 -0.886 -5.881 -3.871 306 HA VAL 49 HA VAL 49 -2.217 -4.963 -1.497 307 HB VAL 49 HB VAL 49 -2.476 -7.632 -2.901 308 1HG1 VAL 49 1HG1 VAL 49 -4.379 -6.215 -1.035 309 2HG1 VAL 49 2HG1 VAL 49 -3.392 -7.617 -0.623 310 3HG1 VAL 49 3HG1 VAL 49 -4.663 -7.759 -1.838 311 1HG2 VAL 49 1HG2 VAL 49 -2.918 -5.783 -4.435 312 2HG2 VAL 49 2HG2 VAL 49 -4.071 -5.101 -3.290 313 3HG2 VAL 49 3HG2 VAL 49 -4.401 -6.657 -4.051 314 H ALA 50 H ALA 50 0.478 -6.983 -2.174 315 HA ALA 50 HA ALA 50 0.302 -8.887 -0.150 316 1HB ALA 50 1HB ALA 50 1.879 -9.055 -2.003 317 2HB ALA 50 2HB ALA 50 2.684 -9.243 -0.444 318 3HB ALA 50 3HB ALA 50 2.817 -7.721 -1.327 319 HA PRO 51 HA PRO 51 2.909 -6.198 2.818 320 1HB PRO 51 2HB PRO 51 3.397 -3.602 2.281 321 2HB PRO 51 1HB PRO 51 4.419 -4.901 1.655 322 1HG PRO 51 2HG PRO 51 2.247 -3.369 0.282 323 2HG PRO 51 1HG PRO 51 3.836 -3.860 -0.333 324 1HD PRO 51 2HD PRO 51 1.532 -5.196 -0.905 325 2HD PRO 51 1HD PRO 51 3.125 -5.973 -0.853 326 H ILE 52 H ILE 52 0.016 -5.213 1.376 327 HA ILE 52 HA ILE 52 -0.698 -3.398 3.536 328 HB ILE 52 HB ILE 52 -2.268 -4.254 1.102 329 1HG1 ILE 52 2HG1 ILE 52 -0.842 -1.676 1.808 330 2HG1 ILE 52 1HG1 ILE 52 -0.347 -2.838 0.578 331 1HG2 ILE 52 1HG2 ILE 52 -3.761 -3.737 2.963 332 2HG2 ILE 52 2HG2 ILE 52 -3.857 -2.497 1.713 333 3HG2 ILE 52 3HG2 ILE 52 -2.951 -2.186 3.195 334 1HD1 ILE 52 1HD1 ILE 52 -2.436 -2.352 -0.648 335 2HD1 ILE 52 2HD1 ILE 52 -1.385 -0.948 -0.468 336 3HD1 ILE 52 3HD1 ILE 52 -2.817 -1.114 0.550 337 H LEU 53 H LEU 53 -1.360 -6.680 2.460 338 HA LEU 53 HA LEU 53 -3.383 -6.943 4.556 339 1HB LEU 53 2HB LEU 53 -2.805 -8.376 2.053 340 2HB LEU 53 1HB LEU 53 -3.318 -9.391 3.389 341 HG LEU 53 HG LEU 53 -5.363 -8.062 3.622 342 1HD1 LEU 53 1HD1 LEU 53 -4.326 -6.562 1.229 343 2HD1 LEU 53 2HD1 LEU 53 -4.568 -5.921 2.854 344 3HD1 LEU 53 3HD1 LEU 53 -5.955 -6.430 1.892 345 1HD2 LEU 53 1HD2 LEU 53 -4.869 -9.066 0.825 346 2HD2 LEU 53 2HD2 LEU 53 -6.450 -8.779 1.551 347 3HD2 LEU 53 3HD2 LEU 53 -5.393 -10.030 2.206 348 H ASP 54 H ASP 54 -0.352 -8.478 3.493 349 HA ASP 54 HA ASP 54 -0.410 -10.374 5.630 350 1HB ASP 54 2HB ASP 54 0.793 -10.551 3.349 351 2HB ASP 54 1HB ASP 54 2.081 -9.627 4.120 352 H LYS 55 H LYS 55 1.063 -7.222 5.169 353 HA LYS 55 HA LYS 55 2.634 -7.448 7.578 354 1HB LYS 55 2HB LYS 55 2.130 -5.055 5.809 355 2HB LYS 55 1HB LYS 55 3.261 -5.103 7.149 356 1HG LYS 55 2HG LYS 55 3.435 -6.785 4.654 357 2HG LYS 55 1HG LYS 55 4.372 -5.331 4.987 358 1HD LYS 55 2HD LYS 55 5.881 -6.918 5.638 359 2HD LYS 55 1HD LYS 55 5.031 -6.678 7.165 360 1HE LYS 55 2HE LYS 55 3.629 -8.618 6.703 361 2HE LYS 55 1HE LYS 55 4.434 -8.849 5.153 362 1HZ LYS 55 1HZ LYS 55 5.370 -10.355 6.721 363 2HZ LYS 55 2HZ LYS 55 5.639 -9.125 7.858 364 3HZ LYS 55 3HZ LYS 55 6.537 -9.160 6.422 365 H ALA 56 H ALA 56 -0.527 -6.317 6.732 366 HA ALA 56 HA ALA 56 -0.800 -4.880 9.258 367 1HB ALA 56 1HB ALA 56 -1.771 -3.877 7.265 368 2HB ALA 56 2HB ALA 56 -3.022 -4.268 8.443 369 3HB ALA 56 3HB ALA 56 -2.788 -5.299 7.029 370 H VAL 57 H VAL 57 -1.208 -7.993 8.053 371 HA VAL 57 HA VAL 57 -3.497 -8.828 9.486 372 HB VAL 57 HB VAL 57 -1.894 -9.961 7.578 373 1HG1 VAL 57 1HG1 VAL 57 -1.079 -12.095 8.471 374 2HG1 VAL 57 2HG1 VAL 57 -1.441 -11.535 10.103 375 3HG1 VAL 57 3HG1 VAL 57 -0.211 -10.713 9.141 376 1HG2 VAL 57 1HG2 VAL 57 -4.253 -10.366 7.888 377 2HG2 VAL 57 2HG2 VAL 57 -3.916 -11.336 9.323 378 3HG2 VAL 57 3HG2 VAL 57 -3.381 -11.891 7.736 379 H LYS 58 H LYS 58 -0.116 -8.543 10.281 380 HA LYS 58 HA LYS 58 -0.288 -9.929 12.780 381 1HB LYS 58 2HB LYS 58 1.956 -9.014 13.197 382 2HB LYS 58 1HB LYS 58 1.844 -9.754 11.607 383 1HG LYS 58 2HG LYS 58 1.462 -7.447 10.682 384 2HG LYS 58 1HG LYS 58 1.881 -6.828 12.279 385 1HD LYS 58 2HD LYS 58 3.644 -8.547 10.538 386 2HD LYS 58 1HD LYS 58 3.802 -6.805 10.760 387 1HE LYS 58 2HE LYS 58 4.207 -7.159 13.155 388 2HE LYS 58 1HE LYS 58 4.081 -8.901 12.914 389 1HZ LYS 58 1HZ LYS 58 6.385 -8.173 12.967 390 2HZ LYS 58 2HZ LYS 58 6.105 -7.123 11.661 391 3HZ LYS 58 3HZ LYS 58 5.989 -8.797 11.440 392 H ALA 59 H ALA 59 -1.207 -6.849 11.680 393 HA ALA 59 HA ALA 59 -1.157 -5.629 14.318 394 1HB ALA 59 1HB ALA 59 -0.663 -4.257 12.337 395 2HB ALA 59 2HB ALA 59 -2.069 -3.660 13.220 396 3HB ALA 59 3HB ALA 59 -2.286 -4.571 11.726 397 H LYS 60 H LYS 60 -3.366 -7.206 12.123 398 HA LYS 60 HA LYS 60 -5.773 -6.655 13.483 399 1HB LYS 60 2HB LYS 60 -5.398 -7.831 11.183 400 2HB LYS 60 1HB LYS 60 -5.219 -9.292 12.139 401 1HG LYS 60 2HG LYS 60 -7.609 -7.690 12.734 402 2HG LYS 60 1HG LYS 60 -7.559 -8.416 11.126 403 1HD LYS 60 2HD LYS 60 -7.144 -10.610 12.168 404 2HD LYS 60 1HD LYS 60 -7.271 -9.861 13.762 405 1HE LYS 60 2HE LYS 60 -9.575 -9.146 13.178 406 2HE LYS 60 1HE LYS 60 -9.428 -10.027 11.661 407 1HZ LYS 60 1HZ LYS 60 -10.539 -11.467 13.096 408 2HZ LYS 60 2HZ LYS 60 -9.538 -11.105 14.410 409 3HZ LYS 60 3HZ LYS 60 -8.938 -12.040 13.129 410 H GLY 61 H GLY 61 -3.253 -9.070 13.899 411 1HA GLY 61 2HA GLY 61 -2.689 -9.362 16.313 412 2HA GLY 61 1HA GLY 61 -4.410 -9.626 16.556 413 H GLU 62 H GLU 62 -3.067 -10.937 13.694 414 HA GLU 62 HA GLU 62 -2.499 -13.540 14.719 415 1HB GLU 62 2HB GLU 62 -4.555 -14.552 13.573 416 2HB GLU 62 1HB GLU 62 -4.824 -13.728 15.105 417 1HG GLU 62 2HG GLU 62 -5.242 -11.664 13.524 418 2HG GLU 62 1HG GLU 62 -5.609 -12.929 12.358 419 H LYS 63 H LYS 63 -1.261 -14.588 13.242 420 HA LYS 63 HA LYS 63 -0.851 -13.336 10.676 421 1HB LYS 63 2HB LYS 63 0.879 -14.611 12.222 422 2HB LYS 63 1HB LYS 63 0.312 -16.016 11.326 423 1HG LYS 63 2HG LYS 63 1.440 -13.515 10.079 424 2HG LYS 63 1HG LYS 63 2.351 -14.994 10.371 425 1HD LYS 63 2HD LYS 63 1.433 -16.053 8.597 426 2HD LYS 63 1HD LYS 63 -0.159 -15.341 8.867 427 1HE LYS 63 2HE LYS 63 0.524 -13.283 7.848 428 2HE LYS 63 1HE LYS 63 2.192 -13.843 7.718 429 1HZ LYS 63 1HZ LYS 63 1.010 -13.997 5.609 430 2HZ LYS 63 2HZ LYS 63 -0.140 -15.032 6.309 431 3HZ LYS 63 3HZ LYS 63 1.471 -15.535 6.162 432 H LEU 64 H LEU 64 -2.381 -13.586 9.227 433 HA LEU 64 HA LEU 64 -3.796 -16.139 9.054 434 1HB LEU 64 2HB LEU 64 -4.553 -13.494 7.830 435 2HB LEU 64 1HB LEU 64 -5.570 -14.911 8.013 436 HG LEU 64 HG LEU 64 -4.465 -13.378 10.358 437 1HD1 LEU 64 1HD1 LEU 64 -6.672 -12.344 10.548 438 2HD1 LEU 64 2HD1 LEU 64 -7.141 -13.078 9.014 439 3HD1 LEU 64 3HD1 LEU 64 -5.848 -11.878 9.060 440 1HD2 LEU 64 1HD2 LEU 64 -6.673 -15.408 10.083 441 2HD2 LEU 64 2HD2 LEU 64 -6.308 -14.500 11.550 442 3HD2 LEU 64 3HD2 LEU 64 -5.121 -15.629 10.897 443 H GLU 65 H GLU 65 -4.426 -16.881 6.863 444 HA GLU 65 HA GLU 65 -2.236 -16.325 4.973 445 1HB GLU 65 2HB GLU 65 -3.809 -18.819 5.526 446 2HB GLU 65 1HB GLU 65 -2.998 -18.591 3.982 447 1HG GLU 65 2HG GLU 65 -1.660 -18.525 6.675 448 2HG GLU 65 1HG GLU 65 -1.668 -19.898 5.568 449 H TRP 66 H TRP 66 -3.499 -14.465 4.338 450 HA TRP 66 HA TRP 66 -6.038 -14.670 3.137 451 1HB TRP 66 2HB TRP 66 -5.497 -12.456 2.138 452 2HB TRP 66 1HB TRP 66 -5.188 -12.521 3.869 453 HD1 TRP 66 HD TRP 66 -2.633 -12.385 4.665 454 HE1 TRP 66 1HE TRP 66 -0.502 -11.570 3.474 455 HE3 TRP 66 3HE TRP 66 -4.358 -12.332 -0.152 456 HZ2 TRP 66 2HZ TRP 66 0.335 -10.975 0.852 457 HZ3 TRP 66 3HZ TRP 66 -2.828 -11.617 -1.943 458 HH2 TRP 66 HH TRP 66 -0.528 -10.953 -1.448 459 H ARG 67 H ARG 67 -2.952 -15.593 2.069 460 HA ARG 67 HA ARG 67 -3.387 -15.231 -0.735 461 1HB ARG 67 2HB ARG 67 -1.245 -16.220 -1.033 462 2HB ARG 67 1HB ARG 67 -1.142 -15.222 0.407 463 1HG ARG 67 2HG ARG 67 -1.761 -17.558 1.549 464 2HG ARG 67 1HG ARG 67 -0.939 -18.148 0.103 465 1HD ARG 67 2HD ARG 67 0.124 -16.472 2.339 466 2HD ARG 67 1HD ARG 67 0.782 -17.949 1.647 467 HE ARG 67 HE ARG 67 1.091 -15.231 0.629 468 1HH1 ARG 67 1HH1 ARG 67 1.643 -18.657 0.132 469 2HH1 ARG 67 2HH1 ARG 67 2.974 -18.411 -0.960 470 1HH2 ARG 67 1HH2 ARG 67 2.860 -14.909 -0.771 471 2HH2 ARG 67 2HH2 ARG 67 3.669 -16.284 -1.471 472 H THR 68 H THR 68 -4.396 -17.520 1.538 473 HA THR 68 HA THR 68 -5.165 -19.364 -0.628 474 HB THR 68 HB THR 68 -5.065 -21.211 1.053 475 HG1 THR 68 1HG THR 68 -5.071 -20.284 3.029 476 1HG2 THR 68 1HG2 THR 68 -2.476 -19.727 0.606 477 2HG2 THR 68 2HG2 THR 68 -3.228 -20.857 -0.521 478 3HG2 THR 68 3HG2 THR 68 -2.624 -21.434 1.033 479 H SER 69 H SER 69 -5.966 -18.062 2.559 480 HA SER 69 HA SER 69 -8.654 -19.193 2.405 481 1HB SER 69 2HB SER 69 -7.172 -17.849 4.679 482 2HB SER 69 1HB SER 69 -8.764 -18.588 4.804 483 HG SER 69 HG SER 69 -6.959 -19.943 5.472 484 H ILE 70 H ILE 70 -10.372 -17.982 1.940 485 HA ILE 70 HA ILE 70 -9.990 -15.193 1.328 486 HB ILE 70 HB ILE 70 -11.421 -16.665 -0.074 487 1HG1 ILE 70 2HG1 ILE 70 -13.242 -15.038 -0.386 488 2HG1 ILE 70 1HG1 ILE 70 -12.852 -14.311 1.168 489 1HG2 ILE 70 1HG2 ILE 70 -12.448 -17.993 1.681 490 2HG2 ILE 70 2HG2 ILE 70 -13.676 -17.233 0.668 491 3HG2 ILE 70 3HG2 ILE 70 -13.319 -16.573 2.264 492 1HD1 ILE 70 1HD1 ILE 70 -10.646 -13.694 0.328 493 2HD1 ILE 70 2HD1 ILE 70 -11.944 -12.997 -0.645 494 3HD1 ILE 70 3HD1 ILE 70 -11.051 -14.398 -1.238 495 H VAL 71 H VAL 71 -11.372 -17.084 3.887 496 HA VAL 71 HA VAL 71 -12.871 -15.034 5.126 497 HB VAL 71 HB VAL 71 -13.262 -17.415 5.593 498 1HG1 VAL 71 1HG1 VAL 71 -10.975 -18.222 5.537 499 2HG1 VAL 71 2HG1 VAL 71 -11.750 -18.674 7.055 500 3HG1 VAL 71 3HG1 VAL 71 -10.605 -17.333 7.017 501 1HG2 VAL 71 1HG2 VAL 71 -13.512 -17.264 8.027 502 2HG2 VAL 71 2HG2 VAL 71 -14.024 -15.781 7.222 503 3HG2 VAL 71 3HG2 VAL 71 -12.463 -15.846 8.043 504 H ASP 72 H ASP 72 -9.524 -15.816 5.070 505 HA ASP 72 HA ASP 72 -8.828 -14.585 7.550 506 1HB ASP 72 2HB ASP 72 -7.305 -15.798 5.288 507 2HB ASP 72 1HB ASP 72 -6.451 -14.779 6.443 508 H LEU 73 H LEU 73 -8.516 -13.577 4.131 509 HA LEU 73 HA LEU 73 -7.346 -11.076 4.859 510 1HB LEU 73 2HB LEU 73 -7.810 -10.384 2.544 511 2HB LEU 73 1HB LEU 73 -6.937 -11.897 2.654 512 HG LEU 73 HG LEU 73 -9.389 -12.900 2.403 513 1HD1 LEU 73 1HD1 LEU 73 -10.523 -10.755 2.372 514 2HD1 LEU 73 2HD1 LEU 73 -10.687 -11.553 0.807 515 3HD1 LEU 73 3HD1 LEU 73 -9.537 -10.229 1.010 516 1HD2 LEU 73 1HD2 LEU 73 -7.475 -13.360 0.958 517 2HD2 LEU 73 2HD2 LEU 73 -7.729 -11.827 0.124 518 3HD2 LEU 73 3HD2 LEU 73 -8.941 -13.102 0.010 519 H MET 74 H MET 74 -10.603 -12.240 4.419 520 HA MET 74 HA MET 74 -11.971 -9.805 4.402 521 1HB MET 74 2HB MET 74 -13.121 -11.863 3.896 522 2HB MET 74 1HB MET 74 -12.771 -12.506 5.495 523 1HG MET 74 2HG MET 74 -14.206 -10.831 6.503 524 2HG MET 74 1HG MET 74 -14.524 -10.130 4.919 525 1HE MET 74 1HE MET 74 -14.959 -13.351 7.162 526 2HE MET 74 2HE MET 74 -14.188 -13.964 5.701 527 3HE MET 74 3HE MET 74 -15.857 -14.401 6.069 528 H LYS 75 H LYS 75 -11.015 -11.876 7.141 529 HA LYS 75 HA LYS 75 -12.108 -10.107 9.092 530 1HB LYS 75 2HB LYS 75 -11.005 -11.542 10.740 531 2HB LYS 75 1HB LYS 75 -11.850 -12.498 9.534 532 1HG LYS 75 2HG LYS 75 -9.726 -12.910 8.386 533 2HG LYS 75 1HG LYS 75 -8.887 -11.973 9.617 534 1HD LYS 75 2HD LYS 75 -8.580 -14.251 10.179 535 2HD LYS 75 1HD LYS 75 -9.779 -13.623 11.310 536 1HE LYS 75 2HE LYS 75 -11.465 -14.871 10.418 537 2HE LYS 75 1HE LYS 75 -10.768 -14.854 8.799 538 1HZ LYS 75 1HZ LYS 75 -9.584 -16.397 11.042 539 2HZ LYS 75 2HZ LYS 75 -9.230 -16.528 9.385 540 3HZ LYS 75 3HZ LYS 75 -10.734 -17.050 9.982 541 H ALA 76 H ALA 76 -8.944 -10.514 7.631 542 HA ALA 76 HA ALA 76 -7.344 -9.170 9.466 543 1HB ALA 76 1HB ALA 76 -6.472 -10.493 7.596 544 2HB ALA 76 2HB ALA 76 -5.766 -8.878 7.647 545 3HB ALA 76 3HB ALA 76 -7.023 -9.251 6.470 546 H LEU 77 H LEU 77 -9.171 -7.893 6.726 547 HA LEU 77 HA LEU 77 -8.137 -5.266 6.976 548 1HB LEU 77 2HB LEU 77 -10.362 -6.499 5.433 549 2HB LEU 77 1HB LEU 77 -10.362 -4.757 5.629 550 HG LEU 77 HG LEU 77 -9.326 -5.315 3.528 551 1HD1 LEU 77 1HD1 LEU 77 -7.150 -4.247 3.793 552 2HD1 LEU 77 2HD1 LEU 77 -7.250 -4.470 5.540 553 3HD1 LEU 77 3HD1 LEU 77 -8.398 -3.412 4.718 554 1HD2 LEU 77 1HD2 LEU 77 -7.265 -6.638 3.413 555 2HD2 LEU 77 2HD2 LEU 77 -8.634 -7.588 3.993 556 3HD2 LEU 77 3HD2 LEU 77 -7.418 -7.008 5.132 557 H ASP 78 H ASP 78 -11.496 -6.366 7.659 558 HA ASP 78 HA ASP 78 -11.653 -4.686 9.987 559 1HB ASP 78 2HB ASP 78 -11.687 -3.044 8.086 560 2HB ASP 78 1HB ASP 78 -13.177 -3.792 7.529 561 H ILE 79 H ILE 79 -12.512 -7.463 8.767 562 HA ILE 79 HA ILE 79 -15.402 -7.131 9.241 563 HB ILE 79 HB ILE 79 -14.119 -9.281 7.549 564 1HG1 ILE 79 2HG1 ILE 79 -13.821 -7.045 6.561 565 2HG1 ILE 79 1HG1 ILE 79 -14.966 -8.006 5.627 566 1HG2 ILE 79 1HG2 ILE 79 -17.000 -8.425 7.796 567 2HG2 ILE 79 2HG2 ILE 79 -16.308 -9.851 8.556 568 3HG2 ILE 79 3HG2 ILE 79 -16.375 -9.737 6.800 569 1HD1 ILE 79 1HD1 ILE 79 -15.675 -5.861 7.619 570 2HD1 ILE 79 2HD1 ILE 79 -16.820 -6.810 6.672 571 3HD1 ILE 79 3HD1 ILE 79 -15.711 -5.701 5.861 572 H ASP 80 H ASP 80 -16.540 -8.641 10.392 573 HA ASP 80 HA ASP 80 -15.152 -9.609 12.683 574 1HB ASP 80 2HB ASP 80 -18.000 -10.255 11.910 575 2HB ASP 80 1HB ASP 80 -17.308 -10.213 13.527 576 H SER 81 H SER 81 -15.625 -10.962 9.679 577 HA SER 81 HA SER 81 -15.732 -13.025 8.761 578 1HB SER 81 2HB SER 81 -14.054 -14.662 9.785 579 2HB SER 81 1HB SER 81 -13.430 -13.123 9.206 580 HG SER 81 HG SER 81 -14.007 -13.827 11.905 581 H SER 82 H SER 82 -17.751 -12.490 10.780 582 HA SER 82 HA SER 82 -18.154 -15.005 12.146 583 1HB SER 82 2HB SER 82 -18.660 -12.811 13.235 584 2HB SER 82 1HB SER 82 -19.933 -12.556 12.045 585 HG SER 82 HG SER 82 -19.790 -14.693 13.927 586 H LEU 83 H LEU 83 -20.928 -15.188 12.047 587 HA LEU 83 HA LEU 83 -21.303 -16.682 9.680 588 1HB LEU 83 2HB LEU 83 -22.475 -16.883 11.972 589 2HB LEU 83 1HB LEU 83 -23.529 -15.608 11.399 590 HG LEU 83 HG LEU 83 -24.443 -17.938 11.167 591 1HD1 LEU 83 1HD1 LEU 83 -24.107 -16.394 8.600 592 2HD1 LEU 83 2HD1 LEU 83 -25.329 -16.091 9.838 593 3HD1 LEU 83 3HD1 LEU 83 -25.347 -17.604 8.931 594 1HD2 LEU 83 1HD2 LEU 83 -22.416 -19.102 10.559 595 2HD2 LEU 83 2HD2 LEU 83 -22.272 -18.147 9.084 596 3HD2 LEU 83 3HD2 LEU 83 -23.609 -19.282 9.272 597 H SER 84 H SER 84 -22.479 -13.500 10.713 598 HA SER 84 HA SER 84 -24.043 -12.842 8.523 599 1HB SER 84 2HB SER 84 -22.301 -10.842 9.948 600 2HB SER 84 1HB SER 84 -23.933 -10.623 9.314 601 HG SER 84 HG SER 84 -24.122 -10.866 11.503 602 H ALA 85 H ALA 85 -20.575 -12.417 9.030 603 HA ALA 85 HA ALA 85 -20.007 -10.923 6.736 604 1HB ALA 85 1HB ALA 85 -18.207 -12.850 8.189 605 2HB ALA 85 2HB ALA 85 -18.465 -11.161 8.622 606 3HB ALA 85 3HB ALA 85 -17.697 -11.571 7.088 607 H ARG 86 H ARG 86 -19.595 -14.432 7.267 608 HA ARG 86 HA ARG 86 -18.805 -14.943 4.596 609 1HB ARG 86 2HB ARG 86 -18.982 -17.283 5.151 610 2HB ARG 86 1HB ARG 86 -18.266 -16.423 6.505 611 1HG ARG 86 2HG ARG 86 -20.601 -16.374 7.508 612 2HG ARG 86 1HG ARG 86 -21.032 -17.557 6.271 613 1HD ARG 86 2HD ARG 86 -20.442 -18.726 8.285 614 2HD ARG 86 1HD ARG 86 -19.179 -18.998 7.083 615 HE ARG 86 HE ARG 86 -18.707 -16.799 8.918 616 1HH1 ARG 86 1HH1 ARG 86 -18.196 -20.202 8.247 617 2HH1 ARG 86 2HH1 ARG 86 -16.809 -20.331 9.282 618 1HH2 ARG 86 1HH2 ARG 86 -16.849 -16.961 10.272 619 2HH2 ARG 86 2HH2 ARG 86 -16.037 -18.495 10.422 620 H LYS 87 H LYS 87 -21.847 -14.418 6.019 621 HA LYS 87 HA LYS 87 -23.432 -15.861 4.123 622 1HB LYS 87 2HB LYS 87 -24.199 -15.279 6.429 623 2HB LYS 87 1HB LYS 87 -24.238 -13.589 5.955 624 1HG LYS 87 2HG LYS 87 -26.454 -14.335 5.824 625 2HG LYS 87 1HG LYS 87 -25.883 -14.277 4.155 626 1HD LYS 87 2HD LYS 87 -27.117 -16.318 4.491 627 2HD LYS 87 1HD LYS 87 -25.409 -16.711 4.292 628 1HE LYS 87 2HE LYS 87 -25.173 -16.907 6.718 629 2HE LYS 87 1HE LYS 87 -26.876 -16.498 6.919 630 1HZ LYS 87 1HZ LYS 87 -26.435 -18.901 7.046 631 2HZ LYS 87 2HZ LYS 87 -25.875 -18.874 5.447 632 3HZ LYS 87 3HZ LYS 87 -27.492 -18.503 5.779 633 H GLU 88 H GLU 88 -22.920 -12.368 4.690 634 HA GLU 88 HA GLU 88 -24.284 -11.655 2.300 635 1HB GLU 88 2HB GLU 88 -23.565 -9.355 2.815 636 2HB GLU 88 1HB GLU 88 -24.322 -10.155 4.184 637 1HG GLU 88 2HG GLU 88 -22.106 -10.595 5.133 638 2HG GLU 88 1HG GLU 88 -21.373 -9.739 3.774 639 H LEU 89 H LEU 89 -20.944 -12.332 3.036 640 HA LEU 89 HA LEU 89 -19.821 -11.026 0.794 641 1HB LEU 89 2HB LEU 89 -18.447 -11.788 2.662 642 2HB LEU 89 1HB LEU 89 -18.833 -13.455 2.290 643 HG LEU 89 HG LEU 89 -17.560 -13.377 0.253 644 1HD1 LEU 89 1HD1 LEU 89 -18.162 -11.064 -0.400 645 2HD1 LEU 89 2HD1 LEU 89 -16.432 -11.383 -0.526 646 3HD1 LEU 89 3HD1 LEU 89 -17.059 -10.459 0.836 647 1HD2 LEU 89 1HD2 LEU 89 -16.323 -13.745 2.340 648 2HD2 LEU 89 2HD2 LEU 89 -16.045 -12.006 2.471 649 3HD2 LEU 89 3HD2 LEU 89 -15.338 -12.915 1.133 650 H ALA 90 H ALA 90 -20.726 -14.440 1.278 651 HA ALA 90 HA ALA 90 -20.310 -15.223 -1.405 652 1HB ALA 90 1HB ALA 90 -21.649 -17.203 -0.817 653 2HB ALA 90 2HB ALA 90 -22.129 -16.422 0.692 654 3HB ALA 90 3HB ALA 90 -20.438 -16.840 0.414 655 H LYS 91 H LYS 91 -23.021 -13.885 0.318 656 HA LYS 91 HA LYS 91 -25.081 -14.298 -1.515 657 1HB LYS 91 2HB LYS 91 -25.349 -13.566 0.829 658 2HB LYS 91 1HB LYS 91 -24.677 -12.001 0.408 659 1HG LYS 91 2HG LYS 91 -26.574 -11.617 -1.103 660 2HG LYS 91 1HG LYS 91 -27.257 -13.168 -0.608 661 1HD LYS 91 2HD LYS 91 -28.320 -11.454 0.682 662 2HD LYS 91 1HD LYS 91 -27.229 -12.340 1.750 663 1HE LYS 91 2HE LYS 91 -25.536 -10.574 1.428 664 2HE LYS 91 1HE LYS 91 -26.691 -9.676 0.443 665 1HZ LYS 91 1HZ LYS 91 -28.186 -9.685 2.414 666 2HZ LYS 91 2HZ LYS 91 -26.766 -8.793 2.621 667 3HZ LYS 91 3HZ LYS 91 -26.913 -10.326 3.333 668 H GLU 92 H GLU 92 -22.775 -11.629 -1.215 669 HA GLU 92 HA GLU 92 -23.972 -10.089 -3.313 670 1HB GLU 92 2HB GLU 92 -21.447 -9.830 -1.704 671 2HB GLU 92 1HB GLU 92 -21.795 -8.749 -3.045 672 1HG GLU 92 2HG GLU 92 -23.608 -9.150 -0.678 673 2HG GLU 92 1HG GLU 92 -22.419 -7.854 -0.817 674 H LEU 93 H LEU 93 -21.784 -12.685 -3.235 675 HA LEU 93 HA LEU 93 -20.485 -11.991 -5.736 676 1HB LEU 93 2HB LEU 93 -20.330 -14.479 -4.035 677 2HB LEU 93 1HB LEU 93 -19.375 -14.193 -5.477 678 HG LEU 93 HG LEU 93 -19.254 -12.502 -2.983 679 1HD1 LEU 93 1HD1 LEU 93 -18.421 -14.759 -2.580 680 2HD1 LEU 93 2HD1 LEU 93 -17.105 -13.585 -2.589 681 3HD1 LEU 93 3HD1 LEU 93 -17.368 -14.625 -3.989 682 1HD2 LEU 93 1HD2 LEU 93 -18.675 -11.288 -5.024 683 2HD2 LEU 93 2HD2 LEU 93 -17.515 -12.548 -5.448 684 3HD2 LEU 93 3HD2 LEU 93 -17.253 -11.557 -4.015 685 H GLY 94 H GLY 94 -23.035 -14.056 -4.540 686 1HA GLY 94 2HA GLY 94 -24.638 -14.252 -6.656 687 2HA GLY 94 1HA GLY 94 -23.364 -15.374 -7.118 688 H TYR 95 H TYR 95 -22.727 -16.605 -4.842 689 HA TYR 95 HA TYR 95 -23.252 -18.293 -3.446 690 1HB TYR 95 2HB TYR 95 -24.280 -16.558 -2.100 691 2HB TYR 95 1HB TYR 95 -25.767 -16.661 -3.038 692 HD1 TYR 95 1HD TYR 95 -23.531 -19.017 -1.169 693 HD2 TYR 95 2HD TYR 95 -27.507 -17.756 -2.003 694 HE1 TYR 95 1HE TYR 95 -24.392 -20.724 0.378 695 HE2 TYR 95 2HE TYR 95 -28.379 -19.460 -0.460 696 HH TYR 95 HH TYR 95 -26.305 -21.249 1.660 697 H SER 96 H SER 96 -23.331 -19.959 -4.902 698 HA SER 96 HA SER 96 -25.971 -21.150 -5.134 699 1HB SER 96 2HB SER 96 -25.553 -19.854 -7.275 700 2HB SER 96 1HB SER 96 -24.193 -20.934 -7.578 701 HG SER 96 HG SER 96 -25.575 -22.292 -8.356 702 H GLY 97 H GLY 97 -25.826 -23.231 -4.544 703 1HA GLY 97 2HA GLY 97 -24.424 -25.301 -5.266 704 2HA GLY 97 1HA GLY 97 -23.158 -24.442 -4.400 705 H ASP 98 H ASP 98 -24.083 -27.018 -3.732 706 HA ASP 98 HA ASP 98 -25.008 -26.499 -1.006 707 1HB ASP 98 2HB ASP 98 -27.069 -27.074 -2.028 708 2HB ASP 98 1HB ASP 98 -26.332 -28.373 -2.961 709 H MET 99 H MET 99 -23.909 -29.032 -3.273 710 HA MET 99 HA MET 99 -22.964 -30.631 -1.044 711 1HB MET 99 2HB MET 99 -22.435 -32.328 -2.699 712 2HB MET 99 1HB MET 99 -24.070 -31.728 -2.936 713 1HG MET 99 2HG MET 99 -23.289 -30.334 -4.785 714 2HG MET 99 1HG MET 99 -21.650 -30.938 -4.545 715 1HE MET 99 1HE MET 99 -21.618 -31.572 -7.158 716 2HE MET 99 2HE MET 99 -23.282 -31.007 -7.322 717 3HE MET 99 3HE MET 99 -22.830 -32.603 -7.918 718 H ASN 100 H ASN 100 -21.689 -28.037 -2.483 719 HA ASN 100 HA ASN 100 -18.999 -28.931 -2.929 720 1HB ASN 100 2HB ASN 100 -18.470 -26.487 -3.007 721 2HB ASN 100 1HB ASN 100 -19.747 -26.976 -4.118 722 1HD2 ASN 100 1HD2 ASN 100 -19.028 -25.297 -1.136 723 2HD2 ASN 100 2HD2 ASN 100 -20.524 -24.430 -1.058 724 H ASP 101 H ASP 101 -20.858 -27.996 -0.209 725 HA ASP 101 HA ASP 101 -20.434 -27.928 2.017 726 1HB ASP 101 2HB ASP 101 -19.370 -30.120 1.529 727 2HB ASP 101 1HB ASP 101 -17.838 -29.299 1.264 728 H SER 102 H SER 102 -18.540 -27.238 3.664 729 HA SER 102 HA SER 102 -17.868 -24.557 3.027 730 1HB SER 102 2HB SER 102 -16.798 -26.274 5.279 731 2HB SER 102 1HB SER 102 -16.843 -24.509 5.221 732 HG SER 102 HG SER 102 -19.296 -25.198 4.809 733 H ALA 103 H ALA 103 -16.369 -27.579 2.508 734 HA ALA 103 HA ALA 103 -13.647 -26.950 2.523 735 1HB ALA 103 1HB ALA 103 -15.119 -28.906 0.756 736 2HB ALA 103 2HB ALA 103 -14.484 -29.232 2.369 737 3HB ALA 103 3HB ALA 103 -13.377 -28.887 1.040 738 H SER 104 H SER 104 -15.807 -27.125 -0.322 739 HA SER 104 HA SER 104 -13.879 -25.747 -1.956 740 1HB SER 104 2HB SER 104 -16.746 -26.476 -2.602 741 2HB SER 104 1HB SER 104 -15.480 -26.051 -3.757 742 HG SER 104 HG SER 104 -16.047 -28.444 -2.715 743 H MET 105 H MET 105 -16.156 -24.759 0.261 744 HA MET 105 HA MET 105 -17.215 -22.447 -0.987 745 1HB MET 105 2HB MET 105 -18.224 -23.494 1.005 746 2HB MET 105 1HB MET 105 -16.828 -23.007 1.957 747 1HG MET 105 2HG MET 105 -17.367 -20.647 1.464 748 2HG MET 105 1HG MET 105 -18.823 -21.189 0.627 749 1HE MET 105 1HE MET 105 -16.976 -20.802 4.044 750 2HE MET 105 2HE MET 105 -17.135 -22.556 3.936 751 3HE MET 105 3HE MET 105 -18.046 -21.661 5.152 752 H ASN 106 H ASN 106 -14.444 -22.960 1.179 753 HA ASN 106 HA ASN 106 -13.635 -20.249 1.299 754 1HB ASN 106 2HB ASN 106 -12.849 -21.970 2.895 755 2HB ASN 106 1HB ASN 106 -11.954 -22.755 1.599 756 1HD2 ASN 106 1HD2 ASN 106 -9.989 -22.524 2.586 757 2HD2 ASN 106 2HD2 ASN 106 -9.192 -21.003 2.768 758 H ILE 107 H ILE 107 -13.080 -22.819 -0.980 759 HA ILE 107 HA ILE 107 -10.930 -21.587 -2.377 760 HB ILE 107 HB ILE 107 -12.840 -23.716 -3.346 761 1HG1 ILE 107 2HG1 ILE 107 -10.112 -23.991 -2.063 762 2HG1 ILE 107 1HG1 ILE 107 -11.642 -24.337 -1.265 763 1HG2 ILE 107 1HG2 ILE 107 -11.052 -24.281 -4.931 764 2HG2 ILE 107 2HG2 ILE 107 -10.111 -22.905 -4.353 765 3HG2 ILE 107 3HG2 ILE 107 -11.649 -22.639 -5.176 766 1HD1 ILE 107 1HD1 ILE 107 -12.064 -26.127 -2.874 767 2HD1 ILE 107 2HD1 ILE 107 -10.553 -26.371 -2.000 768 3HD1 ILE 107 3HD1 ILE 107 -10.525 -25.777 -3.661 769 H TRP 108 H TRP 108 -14.387 -22.009 -3.213 770 HA TRP 108 HA TRP 108 -14.212 -20.633 -5.658 771 1HB TRP 108 2HB TRP 108 -16.075 -22.144 -5.160 772 2HB TRP 108 1HB TRP 108 -16.639 -21.061 -3.891 773 HD1 TRP 108 HD TRP 108 -16.571 -21.440 -7.694 774 HE1 TRP 108 1HE TRP 108 -18.176 -19.709 -8.735 775 HE3 TRP 108 3HE TRP 108 -17.693 -18.761 -3.495 776 HZ2 TRP 108 2HZ TRP 108 -19.719 -17.498 -7.865 777 HZ3 TRP 108 3HZ TRP 108 -19.233 -16.860 -3.677 778 HH2 TRP 108 HH TRP 108 -20.216 -16.239 -5.810 779 H LEU 109 H LEU 109 -15.185 -19.523 -2.438 780 HA LEU 109 HA LEU 109 -15.899 -16.906 -3.145 781 1HB LEU 109 2HB LEU 109 -15.153 -18.301 -0.651 782 2HB LEU 109 1HB LEU 109 -14.912 -16.567 -0.641 783 HG LEU 109 HG LEU 109 -17.339 -16.345 -1.345 784 1HD1 LEU 109 1HD1 LEU 109 -17.665 -18.622 -2.158 785 2HD1 LEU 109 2HD1 LEU 109 -18.810 -18.226 -0.876 786 3HD1 LEU 109 3HD1 LEU 109 -17.412 -19.244 -0.526 787 1HD2 LEU 109 1HD2 LEU 109 -16.578 -15.898 0.915 788 2HD2 LEU 109 2HD2 LEU 109 -16.707 -17.611 1.315 789 3HD2 LEU 109 3HD2 LEU 109 -18.158 -16.681 0.937 790 H HIS 110 H HIS 110 -12.770 -18.350 -2.372 791 HA HIS 110 HA HIS 110 -11.364 -15.900 -2.153 792 1HB HIS 110 2HB HIS 110 -10.597 -18.137 -1.263 793 2HB HIS 110 1HB HIS 110 -10.187 -18.577 -2.917 794 HD1 HIS 110 1HD HIS 110 -7.879 -17.988 -3.652 795 HD2 HIS 110 2HD HIS 110 -9.078 -15.799 -0.332 796 HE1 HIS 110 1HE HIS 110 -5.850 -16.685 -2.938 797 HE2 HIS 110 2HE HIS 110 -6.564 -15.467 -0.844 798 H LYS 111 H LYS 111 -12.369 -17.839 -4.817 799 HA LYS 111 HA LYS 111 -10.619 -16.638 -6.767 800 1HB LYS 111 2HB LYS 111 -13.218 -18.116 -7.225 801 2HB LYS 111 1HB LYS 111 -11.935 -17.851 -8.395 802 1HG LYS 111 2HG LYS 111 -11.224 -19.302 -5.920 803 2HG LYS 111 1HG LYS 111 -12.256 -20.137 -7.078 804 1HD LYS 111 2HD LYS 111 -9.588 -18.885 -7.728 805 2HD LYS 111 1HD LYS 111 -9.854 -20.603 -7.414 806 1HE LYS 111 2HE LYS 111 -11.641 -20.373 -9.301 807 2HE LYS 111 1HE LYS 111 -10.715 -18.940 -9.740 808 1HZ LYS 111 1HZ LYS 111 -9.898 -20.787 -10.979 809 2HZ LYS 111 2HZ LYS 111 -9.719 -21.728 -9.581 810 3HZ LYS 111 3HZ LYS 111 -8.717 -20.385 -9.826 811 H GLN 112 H GLN 112 -14.040 -16.392 -5.902 812 HA GLN 112 HA GLN 112 -14.710 -14.606 -7.983 813 1HB GLN 112 2HB GLN 112 -16.239 -16.197 -6.689 814 2HB GLN 112 1HB GLN 112 -16.277 -14.962 -5.436 815 1HG GLN 112 2HG GLN 112 -18.211 -14.806 -6.895 816 2HG GLN 112 1HG GLN 112 -17.202 -13.364 -7.021 817 1HE2 GLN 112 1HE2 GLN 112 -16.497 -16.464 -8.500 818 2HE2 GLN 112 2HE2 GLN 112 -16.691 -15.938 -10.134 819 H VAL 113 H VAL 113 -14.173 -14.073 -4.496 820 HA VAL 113 HA VAL 113 -14.575 -11.297 -4.509 821 HB VAL 113 HB VAL 113 -12.735 -12.904 -2.722 822 1HG1 VAL 113 1HG1 VAL 113 -13.867 -10.131 -2.342 823 2HG1 VAL 113 2HG1 VAL 113 -12.178 -10.532 -2.655 824 3HG1 VAL 113 3HG1 VAL 113 -12.939 -11.036 -1.145 825 1HG2 VAL 113 1HG2 VAL 113 -14.576 -12.875 -1.127 826 2HG2 VAL 113 2HG2 VAL 113 -15.059 -13.656 -2.632 827 3HG2 VAL 113 3HG2 VAL 113 -15.580 -12.007 -2.288 828 H MET 114 H MET 114 -11.766 -13.262 -5.287 829 HA MET 114 HA MET 114 -9.820 -11.233 -5.280 830 1HB MET 114 2HB MET 114 -9.513 -13.781 -5.448 831 2HB MET 114 1HB MET 114 -9.808 -13.580 -7.168 832 1HG MET 114 2HG MET 114 -7.465 -13.649 -6.834 833 2HG MET 114 1HG MET 114 -7.896 -11.985 -7.236 834 1HE MET 114 1HE MET 114 -5.414 -11.352 -6.332 835 2HE MET 114 2HE MET 114 -5.134 -13.027 -5.857 836 3HE MET 114 3HE MET 114 -4.858 -11.723 -4.700 837 H SER 115 H SER 115 -12.064 -12.367 -7.733 838 HA SER 115 HA SER 115 -10.988 -10.846 -9.880 839 1HB SER 115 2HB SER 115 -13.782 -11.973 -9.593 840 2HB SER 115 1HB SER 115 -12.973 -11.530 -11.096 841 HG SER 115 HG SER 115 -11.852 -13.446 -9.350 842 H LYS 116 H LYS 116 -13.057 -10.099 -7.248 843 HA LYS 116 HA LYS 116 -14.114 -7.684 -8.491 844 1HB LYS 116 2HB LYS 116 -14.702 -9.254 -6.044 845 2HB LYS 116 1HB LYS 116 -14.958 -7.523 -5.933 846 1HG LYS 116 2HG LYS 116 -17.016 -8.649 -6.493 847 2HG LYS 116 1HG LYS 116 -16.495 -7.629 -7.831 848 1HD LYS 116 2HD LYS 116 -15.823 -9.484 -9.118 849 2HD LYS 116 1HD LYS 116 -15.882 -10.571 -7.728 850 1HE LYS 116 2HE LYS 116 -18.260 -10.465 -7.643 851 2HE LYS 116 1HE LYS 116 -18.301 -9.152 -8.818 852 1HZ LYS 116 1HZ LYS 116 -17.566 -10.645 -10.527 853 2HZ LYS 116 2HZ LYS 116 -18.917 -11.322 -9.755 854 3HZ LYS 116 3HZ LYS 116 -17.369 -11.908 -9.413 855 H LEU 117 H LEU 117 -11.423 -8.662 -6.717 856 HA LEU 117 HA LEU 117 -11.145 -6.104 -5.314 857 1HB LEU 117 2HB LEU 117 -11.005 -8.149 -3.970 858 2HB LEU 117 1HB LEU 117 -9.663 -8.706 -4.951 859 HG LEU 117 HG LEU 117 -8.327 -6.767 -4.163 860 1HD1 LEU 117 1HD1 LEU 117 -9.107 -5.484 -2.251 861 2HD1 LEU 117 2HD1 LEU 117 -10.658 -6.322 -2.305 862 3HD1 LEU 117 3HD1 LEU 117 -10.181 -5.262 -3.633 863 1HD2 LEU 117 1HD2 LEU 117 -9.456 -8.582 -2.040 864 2HD2 LEU 117 2HD2 LEU 117 -7.980 -7.630 -1.881 865 3HD2 LEU 117 3HD2 LEU 117 -8.075 -8.915 -3.085 866 H VAL 118 H VAL 118 -8.795 -8.387 -6.755 867 HA VAL 118 HA VAL 118 -6.871 -6.310 -7.007 868 HB VAL 118 HB VAL 118 -5.488 -7.985 -8.220 869 1HG1 VAL 118 1HG1 VAL 118 -6.740 -8.907 -5.637 870 2HG1 VAL 118 2HG1 VAL 118 -5.382 -7.791 -5.802 871 3HG1 VAL 118 3HG1 VAL 118 -5.203 -9.476 -6.293 872 1HG2 VAL 118 1HG2 VAL 118 -7.267 -9.224 -9.334 873 2HG2 VAL 118 2HG2 VAL 118 -7.868 -9.788 -7.773 874 3HG2 VAL 118 3HG2 VAL 118 -6.282 -10.303 -8.347 875 H ALA 119 H ALA 119 -9.419 -7.302 -9.040 876 HA ALA 119 HA ALA 119 -8.287 -6.533 -11.535 877 1HB ALA 119 1HB ALA 119 -10.521 -6.671 -12.419 878 2HB ALA 119 2HB ALA 119 -11.207 -6.625 -10.795 879 3HB ALA 119 3HB ALA 119 -10.259 -8.020 -11.313 880 H ASN 120 H ASN 120 -9.133 -4.744 -8.849 881 HA ASN 120 HA ASN 120 -10.000 -2.375 -10.295 882 1HB ASN 120 2HB ASN 120 -9.488 -2.875 -7.358 883 2HB ASN 120 1HB ASN 120 -9.956 -1.312 -8.006 884 1HD2 ASN 120 1HD2 ASN 120 -11.174 -4.412 -9.130 885 2HD2 ASN 120 2HD2 ASN 120 -12.784 -4.205 -8.539 886 H GLY 121 H GLY 121 -7.114 -3.809 -9.938 887 1HA GLY 121 2HA GLY 121 -5.205 -2.546 -10.851 888 2HA GLY 121 1HA GLY 121 -5.679 -1.229 -9.789 889 H GLY 122 H GLY 122 -5.979 -4.367 -8.486 890 1HA GLY 122 2HA GLY 122 -3.852 -3.829 -6.596 891 2HA GLY 122 1HA GLY 122 -5.004 -5.157 -6.531 892 H LYS 123 H LYS 123 -1.919 -4.655 -6.622 893 HA LYS 123 HA LYS 123 -1.174 -6.670 -8.606 894 1HB LYS 123 2HB LYS 123 0.206 -4.705 -8.619 895 2HB LYS 123 1HB LYS 123 0.389 -4.753 -6.873 896 1HG LYS 123 2HG LYS 123 1.536 -7.026 -7.286 897 2HG LYS 123 1HG LYS 123 1.685 -6.461 -8.953 898 1HD LYS 123 2HD LYS 123 2.943 -4.546 -8.260 899 2HD LYS 123 1HD LYS 123 2.630 -4.889 -6.557 900 1HE LYS 123 2HE LYS 123 3.839 -7.091 -6.940 901 2HE LYS 123 1HE LYS 123 4.368 -6.411 -8.479 902 1HZ LYS 123 1HZ LYS 123 5.370 -4.564 -7.259 903 2HZ LYS 123 2HZ LYS 123 6.023 -6.055 -6.779 904 3HZ LYS 123 3HZ LYS 123 4.892 -5.265 -5.788 905 H LEU 124 H LEU 124 -0.512 -8.686 -8.015 906 HA LEU 124 HA LEU 124 0.024 -9.187 -5.199 907 1HB LEU 124 2HB LEU 124 -1.237 -11.322 -5.265 908 2HB LEU 124 1HB LEU 124 -2.234 -9.896 -5.351 909 HG LEU 124 HG LEU 124 -3.141 -11.652 -6.728 910 1HD1 LEU 124 1HD1 LEU 124 -2.024 -9.470 -8.465 911 2HD1 LEU 124 2HD1 LEU 124 -3.500 -9.393 -7.508 912 3HD1 LEU 124 3HD1 LEU 124 -3.381 -10.522 -8.856 913 1HD2 LEU 124 1HD2 LEU 124 -0.550 -11.625 -8.255 914 2HD2 LEU 124 2HD2 LEU 124 -2.006 -12.512 -8.708 915 3HD2 LEU 124 3HD2 LEU 124 -1.150 -12.922 -7.221 916 HA PRO 125 HA PRO 125 3.576 -11.423 -6.626 917 1HB PRO 125 2HB PRO 125 2.989 -13.250 -4.354 918 2HB PRO 125 1HB PRO 125 4.468 -12.357 -4.724 919 1HG PRO 125 2HG PRO 125 2.875 -11.570 -2.744 920 2HG PRO 125 1HG PRO 125 3.665 -10.384 -3.799 921 1HD PRO 125 2HD PRO 125 0.832 -11.346 -3.818 922 2HD PRO 125 1HD PRO 125 1.466 -9.707 -4.061 923 HA PRO 126 HA PRO 126 1.995 -14.708 -9.067 924 1HB PRO 126 2HB PRO 126 4.618 -16.021 -8.986 925 2HB PRO 126 1HB PRO 126 3.789 -15.256 -10.341 926 1HG PRO 126 2HG PRO 126 5.966 -14.160 -9.208 927 2HG PRO 126 1HG PRO 126 4.647 -13.170 -9.862 928 1HD PRO 126 2HD PRO 126 5.228 -13.914 -7.015 929 2HD PRO 126 1HD PRO 126 4.737 -12.345 -7.690 930 H GLU 127 H GLU 127 1.688 -15.173 -6.189 931 HA GLU 127 HA GLU 127 1.748 -18.121 -6.231 932 1HB GLU 127 2HB GLU 127 2.077 -16.277 -3.862 933 2HB GLU 127 1HB GLU 127 1.825 -18.008 -3.729 934 1HG GLU 127 2HG GLU 127 3.919 -18.368 -4.988 935 2HG GLU 127 1HG GLU 127 4.179 -16.623 -4.986 936 H ILE 128 H ILE 128 -0.010 -15.185 -5.531 937 HA ILE 128 HA ILE 128 -2.169 -16.660 -4.267 938 HB ILE 128 HB ILE 128 -2.002 -13.676 -4.728 939 1HG1 ILE 128 2HG1 ILE 128 -1.603 -13.705 -2.175 940 2HG1 ILE 128 1HG1 ILE 128 -1.154 -15.390 -2.393 941 1HG2 ILE 128 1HG2 ILE 128 -3.763 -13.580 -3.019 942 2HG2 ILE 128 2HG2 ILE 128 -3.794 -15.343 -2.966 943 3HG2 ILE 128 3HG2 ILE 128 -4.266 -14.497 -4.440 944 1HD1 ILE 128 1HD1 ILE 128 0.180 -13.029 -3.696 945 2HD1 ILE 128 2HD1 ILE 128 0.644 -14.719 -3.893 946 3HD1 ILE 128 3HD1 ILE 128 0.794 -13.941 -2.317 947 H LYS 129 H LYS 129 -2.705 -17.808 -6.157 948 HA LYS 129 HA LYS 129 -5.048 -16.945 -7.342 949 1HB LYS 129 2HB LYS 129 -3.312 -15.477 -8.600 950 2HB LYS 129 1HB LYS 129 -2.875 -16.965 -9.427 951 1HG LYS 129 2HG LYS 129 -5.726 -16.060 -9.347 952 2HG LYS 129 1HG LYS 129 -4.594 -15.366 -10.505 953 1HD LYS 129 2HD LYS 129 -5.063 -18.327 -10.220 954 2HD LYS 129 1HD LYS 129 -5.962 -17.307 -11.345 955 1HE LYS 129 2HE LYS 129 -2.967 -17.675 -11.303 956 2HE LYS 129 1HE LYS 129 -4.082 -18.439 -12.437 957 1HZ LYS 129 1HZ LYS 129 -4.667 -16.293 -13.311 958 2HZ LYS 129 2HZ LYS 129 -2.979 -16.449 -13.345 959 3HZ LYS 129 3HZ LYS 129 -3.714 -15.501 -12.153 960 H HIS 130 H HIS 130 -5.883 -18.900 -7.128 961 HA HIS 130 HA HIS 130 -4.726 -21.070 -8.706 962 1HB HIS 130 2HB HIS 130 -5.406 -21.164 -5.779 963 2HB HIS 130 1HB HIS 130 -5.546 -22.615 -6.764 964 HD1 HIS 130 1HD HIS 130 -3.082 -20.495 -5.009 965 HD2 HIS 130 2HD HIS 130 -3.049 -23.531 -7.857 966 HE1 HIS 130 1HE HIS 130 -0.706 -21.306 -5.112 967 HE2 HIS 130 2HE HIS 130 -0.680 -23.019 -6.956 Start of MODEL 16 1 1H MET 1 1HT MET 1 -24.158 -7.204 2.068 2 2H MET 1 2HT MET 1 -24.550 -6.264 3.425 3 3H MET 1 3HT MET 1 -23.146 -7.217 3.432 4 HA MET 1 HA MET 1 -23.643 -4.897 1.669 5 1HB MET 1 2HB MET 1 -23.055 -4.747 4.282 6 2HB MET 1 1HB MET 1 -21.432 -5.035 3.679 7 1HG MET 1 2HG MET 1 -23.145 -2.843 2.566 8 2HG MET 1 1HG MET 1 -22.202 -2.619 4.036 9 1HE MET 1 1HE MET 1 -20.930 -0.538 2.920 10 2HE MET 1 2HE MET 1 -21.937 -0.768 1.487 11 3HE MET 1 3HE MET 1 -20.190 -0.619 1.319 12 H SER 2 H SER 2 -21.355 -4.276 0.752 13 HA SER 2 HA SER 2 -20.476 -6.675 -0.624 14 1HB SER 2 2HB SER 2 -19.169 -4.726 -1.923 15 2HB SER 2 1HB SER 2 -20.850 -5.128 -2.270 16 HG SER 2 HG SER 2 -19.776 -2.871 -1.101 17 H ILE 3 H ILE 3 -19.255 -7.606 0.986 18 HA ILE 3 HA ILE 3 -17.348 -6.258 2.536 19 HB ILE 3 HB ILE 3 -17.524 -9.195 1.890 20 1HG1 ILE 3 2HG1 ILE 3 -18.832 -7.412 3.922 21 2HG1 ILE 3 1HG1 ILE 3 -19.574 -8.578 2.838 22 1HG2 ILE 3 1HG2 ILE 3 -15.332 -8.601 2.784 23 2HG2 ILE 3 2HG2 ILE 3 -16.260 -9.536 3.959 24 3HG2 ILE 3 3HG2 ILE 3 -16.104 -7.790 4.147 25 1HD1 ILE 3 1HD1 ILE 3 -17.902 -9.218 5.254 26 2HD1 ILE 3 2HD1 ILE 3 -18.576 -10.404 4.136 27 3HD1 ILE 3 3HD1 ILE 3 -19.651 -9.392 5.101 28 H PHE 4 H PHE 4 -17.053 -7.918 -0.568 29 HA PHE 4 HA PHE 4 -14.232 -7.836 -0.676 30 1HB PHE 4 2HB PHE 4 -14.518 -8.011 -3.168 31 2HB PHE 4 1HB PHE 4 -15.320 -9.268 -2.239 32 HD1 PHE 4 1HD PHE 4 -15.978 -5.996 -3.900 33 HD2 PHE 4 2HD PHE 4 -17.534 -9.752 -2.642 34 HE1 PHE 4 1HE PHE 4 -18.088 -5.509 -5.069 35 HE2 PHE 4 2HE PHE 4 -19.650 -9.263 -3.799 36 HZ PHE 4 HZ PHE 4 -19.927 -7.144 -5.014 37 H GLY 5 H GLY 5 -16.608 -5.386 -1.028 38 1HA GLY 5 2HA GLY 5 -14.739 -3.529 -2.288 39 2HA GLY 5 1HA GLY 5 -16.420 -3.205 -1.881 40 H LYS 6 H LYS 6 -15.783 -4.467 0.838 41 HA LYS 6 HA LYS 6 -15.082 -1.996 2.145 42 1HB LYS 6 2HB LYS 6 -15.556 -4.725 3.361 43 2HB LYS 6 1HB LYS 6 -15.509 -3.195 4.225 44 1HG LYS 6 2HG LYS 6 -17.520 -2.462 3.105 45 2HG LYS 6 1HG LYS 6 -17.542 -3.932 2.130 46 1HD LYS 6 2HD LYS 6 -18.985 -4.600 3.751 47 2HD LYS 6 1HD LYS 6 -17.479 -5.044 4.556 48 1HE LYS 6 2HE LYS 6 -19.075 -2.517 4.979 49 2HE LYS 6 1HE LYS 6 -18.926 -3.870 6.099 50 1HZ LYS 6 1HZ LYS 6 -17.491 -2.112 6.798 51 2HZ LYS 6 2HZ LYS 6 -16.781 -1.987 5.271 52 3HZ LYS 6 3HZ LYS 6 -16.510 -3.366 6.222 53 H ILE 7 H ILE 7 -13.629 -5.164 1.609 54 HA ILE 7 HA ILE 7 -11.405 -4.754 3.306 55 HB ILE 7 HB ILE 7 -10.342 -6.629 2.082 56 1HG1 ILE 7 2HG1 ILE 7 -12.889 -6.604 0.443 57 2HG1 ILE 7 1HG1 ILE 7 -11.295 -6.155 -0.152 58 1HG2 ILE 7 1HG2 ILE 7 -11.953 -8.334 2.789 59 2HG2 ILE 7 2HG2 ILE 7 -13.200 -7.093 2.918 60 3HG2 ILE 7 3HG2 ILE 7 -11.796 -7.045 3.982 61 1HD1 ILE 7 1HD1 ILE 7 -10.495 -8.421 0.210 62 2HD1 ILE 7 2HD1 ILE 7 -11.913 -8.402 -0.841 63 3HD1 ILE 7 3HD1 ILE 7 -12.075 -8.885 0.846 64 H MET 8 H MET 8 -11.976 -4.047 -0.113 65 HA MET 8 HA MET 8 -9.221 -3.312 -0.545 66 1HB MET 8 2HB MET 8 -9.922 -2.658 -2.794 67 2HB MET 8 1HB MET 8 -10.464 -4.275 -2.385 68 1HG MET 8 2HG MET 8 -12.264 -3.351 -3.496 69 2HG MET 8 1HG MET 8 -12.697 -3.184 -1.798 70 1HE MET 8 1HE MET 8 -14.164 -0.050 -3.814 71 2HE MET 8 2HE MET 8 -14.600 -1.538 -2.972 72 3HE MET 8 3HE MET 8 -13.810 -1.612 -4.548 73 H SER 9 H SER 9 -11.750 -1.840 0.965 74 HA SER 9 HA SER 9 -11.541 0.832 0.110 75 1HB SER 9 2HB SER 9 -13.392 -0.173 1.528 76 2HB SER 9 1HB SER 9 -12.284 -0.089 2.898 77 HG SER 9 HG SER 9 -12.410 2.062 2.902 78 H ALA 10 H ALA 10 -9.778 -1.035 2.543 79 HA ALA 10 HA ALA 10 -8.184 1.299 3.253 80 1HB ALA 10 1HB ALA 10 -8.979 -0.208 5.007 81 2HB ALA 10 2HB ALA 10 -7.216 -0.121 4.963 82 3HB ALA 10 3HB ALA 10 -8.050 -1.524 4.289 83 H ILE 11 H ILE 11 -8.070 -1.390 1.160 84 HA ILE 11 HA ILE 11 -5.210 -1.563 0.970 85 HB ILE 11 HB ILE 11 -7.359 -2.655 -0.856 86 1HG1 ILE 11 2HG1 ILE 11 -5.686 -4.032 1.257 87 2HG1 ILE 11 1HG1 ILE 11 -7.372 -3.566 1.446 88 1HG2 ILE 11 1HG2 ILE 11 -4.397 -3.237 -0.790 89 2HG2 ILE 11 2HG2 ILE 11 -5.281 -2.418 -2.078 90 3HG2 ILE 11 3HG2 ILE 11 -5.587 -4.124 -1.746 91 1HD1 ILE 11 1HD1 ILE 11 -7.186 -5.925 0.945 92 2HD1 ILE 11 2HD1 ILE 11 -6.299 -5.561 -0.534 93 3HD1 ILE 11 3HD1 ILE 11 -7.989 -5.079 -0.378 94 H PHE 12 H PHE 12 -7.792 -0.364 -1.175 95 HA PHE 12 HA PHE 12 -5.801 1.005 -2.817 96 1HB PHE 12 2HB PHE 12 -8.786 0.610 -3.154 97 2HB PHE 12 1HB PHE 12 -7.789 1.532 -4.273 98 HD1 PHE 12 1HD PHE 12 -6.453 0.461 -5.894 99 HD2 PHE 12 2HD PHE 12 -8.431 -1.831 -2.906 100 HE1 PHE 12 1HE PHE 12 -5.930 -1.598 -7.133 101 HE2 PHE 12 2HE PHE 12 -7.917 -3.895 -4.139 102 HZ PHE 12 HZ PHE 12 -6.661 -3.780 -6.257 103 H GLY 13 H GLY 13 -6.912 1.684 -0.009 104 1HA GLY 13 2HA GLY 13 -7.577 4.492 -0.612 105 2HA GLY 13 1HA GLY 13 -8.264 3.611 0.745 106 H ASP 14 H ASP 14 -4.925 3.143 -0.080 107 HA ASP 14 HA ASP 14 -4.103 5.111 1.928 108 1HB ASP 14 2HB ASP 14 -4.253 2.726 2.900 109 2HB ASP 14 1HB ASP 14 -2.847 2.374 1.900 110 H SER 15 H SER 15 -2.437 6.264 1.304 111 HA SER 15 HA SER 15 -0.368 5.171 -0.386 112 1HB SER 15 2HB SER 15 -2.175 6.071 -1.950 113 2HB SER 15 1HB SER 15 -1.831 7.669 -1.292 114 HG SER 15 HG SER 15 -0.099 5.970 -2.759 115 H ALA 16 H ALA 16 -0.746 6.113 2.319 116 HA ALA 16 HA ALA 16 1.125 8.371 2.339 117 1HB ALA 16 1HB ALA 16 -1.138 9.274 2.605 118 2HB ALA 16 2HB ALA 16 -0.155 9.520 4.050 119 3HB ALA 16 3HB ALA 16 -1.374 8.244 4.019 120 H ALA 17 H ALA 17 -0.283 5.601 3.957 121 HA ALA 17 HA ALA 17 1.828 5.754 6.005 122 1HB ALA 17 1HB ALA 17 -0.730 4.151 6.024 123 2HB ALA 17 2HB ALA 17 -0.454 5.664 6.888 124 3HB ALA 17 3HB ALA 17 0.457 4.217 7.323 125 H ALA 18 H ALA 18 0.273 3.619 3.659 126 HA ALA 18 HA ALA 18 2.243 1.533 4.123 127 1HB ALA 18 1HB ALA 18 0.006 1.641 2.104 128 2HB ALA 18 2HB ALA 18 -0.118 0.962 3.727 129 3HB ALA 18 3HB ALA 18 0.961 0.224 2.543 130 H SER 19 H SER 19 4.051 1.279 2.987 131 HA SER 19 HA SER 19 4.200 2.291 0.257 132 1HB SER 19 2HB SER 19 6.263 2.945 2.375 133 2HB SER 19 1HB SER 19 6.374 3.365 0.665 134 HG SER 19 HG SER 19 4.032 4.229 1.606 135 HA PRO 20 HA PRO 20 5.612 -2.062 0.159 136 1HB PRO 20 2HB PRO 20 5.865 -1.098 -2.658 137 2HB PRO 20 1HB PRO 20 5.214 -2.622 -2.045 138 1HG PRO 20 2HG PRO 20 3.584 -0.680 -2.858 139 2HG PRO 20 1HG PRO 20 3.190 -1.675 -1.444 140 1HD PRO 20 2HD PRO 20 4.129 1.140 -1.575 141 2HD PRO 20 1HD PRO 20 3.081 0.347 -0.382 142 H GLY 21 H GLY 21 7.634 -2.576 0.681 143 1HA GLY 21 2HA GLY 21 9.897 -2.916 0.165 144 2HA GLY 21 1HA GLY 21 9.820 -1.578 -0.971 145 H GLY 22 H GLY 22 9.061 0.535 0.413 146 1HA GLY 22 2HA GLY 22 11.454 1.008 1.987 147 2HA GLY 22 1HA GLY 22 10.329 2.224 1.404 148 H ALA 23 H ALA 23 8.500 -0.127 2.834 149 HA ALA 23 HA ALA 23 8.038 1.511 5.154 150 1HB ALA 23 1HB ALA 23 6.255 -0.045 5.684 151 2HB ALA 23 2HB ALA 23 6.826 -1.157 4.439 152 3HB ALA 23 3HB ALA 23 6.179 0.420 3.984 153 H GLN 24 H GLN 24 10.240 1.271 5.958 154 HA GLN 24 HA GLN 24 10.349 -0.952 7.859 155 1HB GLN 24 2HB GLN 24 11.837 -1.589 6.031 156 2HB GLN 24 1HB GLN 24 12.667 -0.044 6.141 157 1HG GLN 24 2HG GLN 24 13.440 -0.616 8.387 158 2HG GLN 24 1HG GLN 24 12.607 -2.166 8.274 159 1HE2 GLN 24 1HE2 GLN 24 15.446 -1.575 8.654 160 2HE2 GLN 24 2HE2 GLN 24 16.274 -2.367 7.355 161 H ALA 25 H ALA 25 10.410 -0.112 9.803 162 HA ALA 25 HA ALA 25 11.463 2.579 10.202 163 1HB ALA 25 1HB ALA 25 10.503 2.426 12.431 164 2HB ALA 25 2HB ALA 25 10.115 0.728 12.168 165 3HB ALA 25 3HB ALA 25 9.304 1.973 11.219 166 HA PRO 26 HA PRO 26 15.399 1.115 11.722 167 1HB PRO 26 2HB PRO 26 15.442 3.588 13.329 168 2HB PRO 26 1HB PRO 26 16.559 3.054 12.071 169 1HG PRO 26 2HG PRO 26 14.845 5.074 11.659 170 2HG PRO 26 1HG PRO 26 15.271 3.938 10.365 171 1HD PRO 26 2HD PRO 26 12.806 4.042 12.064 172 2HD PRO 26 1HD PRO 26 12.962 3.708 10.326 173 H ALA 27 H ALA 27 15.592 -0.361 13.268 174 HA ALA 27 HA ALA 27 13.837 -0.258 15.576 175 1HB ALA 27 1HB ALA 27 14.594 -2.538 15.999 176 2HB ALA 27 2HB ALA 27 15.796 -2.383 14.720 177 3HB ALA 27 3HB ALA 27 14.078 -2.347 14.322 178 H THR 28 H THR 28 14.502 1.033 17.160 179 HA THR 28 HA THR 28 15.641 1.686 19.008 180 HB THR 28 HB THR 28 17.558 -0.580 18.442 181 HG1 THR 28 1HG THR 28 15.799 -1.723 18.801 182 1HG2 THR 28 1HG2 THR 28 18.381 1.020 20.098 183 2HG2 THR 28 2HG2 THR 28 17.950 -0.508 20.867 184 3HG2 THR 28 3HG2 THR 28 16.871 0.881 20.997 185 H THR 29 H THR 29 16.676 3.536 18.981 186 HA THR 29 HA THR 29 18.321 5.082 18.781 187 HB THR 29 HB THR 29 19.989 2.943 17.446 188 HG1 THR 29 1HG THR 29 20.554 3.662 20.064 189 1HG2 THR 29 1HG2 THR 29 21.889 4.341 18.125 190 2HG2 THR 29 2HG2 THR 29 20.771 5.548 18.761 191 3HG2 THR 29 3HG2 THR 29 20.810 5.206 17.031 192 H GLY 30 H GLY 30 17.763 6.647 17.445 193 1HA GLY 30 2HA GLY 30 18.566 6.610 14.709 194 2HA GLY 30 1HA GLY 30 16.818 6.473 14.872 195 H ALA 31 H ALA 31 17.917 8.645 13.580 196 HA ALA 31 HA ALA 31 18.154 10.835 15.453 197 1HB ALA 31 1HB ALA 31 18.081 10.871 12.438 198 2HB ALA 31 2HB ALA 31 19.533 10.820 13.440 199 3HB ALA 31 3HB ALA 31 18.479 12.234 13.481 200 H ALA 32 H ALA 32 16.066 10.547 16.414 201 HA ALA 32 HA ALA 32 13.911 11.088 16.810 202 1HB ALA 32 1HB ALA 32 14.325 13.113 14.616 203 2HB ALA 32 2HB ALA 32 14.701 13.343 16.324 204 3HB ALA 32 3HB ALA 32 13.028 13.121 15.812 205 H GLY 33 H GLY 33 13.529 11.958 13.432 206 1HA GLY 33 2HA GLY 33 12.382 9.373 12.767 207 2HA GLY 33 1HA GLY 33 11.255 10.724 12.787 208 H THR 34 H THR 34 14.553 11.268 11.914 209 HA THR 34 HA THR 34 13.653 11.899 9.195 210 HB THR 34 HB THR 34 16.125 12.852 10.657 211 HG1 THR 34 1HG THR 34 13.632 14.133 10.068 212 1HG2 THR 34 1HG2 THR 34 16.415 12.797 8.213 213 2HG2 THR 34 2HG2 THR 34 16.336 14.454 8.811 214 3HG2 THR 34 3HG2 THR 34 14.936 13.734 8.016 215 H ALA 35 H ALA 35 13.984 10.283 7.842 216 HA ALA 35 HA ALA 35 16.507 8.772 7.992 217 1HB ALA 35 1HB ALA 35 14.485 7.400 8.099 218 2HB ALA 35 2HB ALA 35 15.378 7.087 6.610 219 3HB ALA 35 3HB ALA 35 13.930 8.092 6.575 220 HA PRO 36 HA PRO 36 18.020 10.795 4.354 221 1HB PRO 36 2HB PRO 36 19.174 8.178 3.596 222 2HB PRO 36 1HB PRO 36 19.984 9.720 3.890 223 1HG PRO 36 2HG PRO 36 20.159 7.693 5.643 224 2HG PRO 36 1HG PRO 36 20.090 9.382 6.176 225 1HD PRO 36 2HD PRO 36 17.943 7.304 6.180 226 2HD PRO 36 1HD PRO 36 18.297 8.566 7.377 227 H THR 37 H THR 37 16.379 11.213 2.974 228 HA THR 37 HA THR 37 14.919 9.126 1.652 229 HB THR 37 HB THR 37 13.954 11.186 0.394 230 HG1 THR 37 1HG THR 37 15.108 12.915 0.860 231 1HG2 THR 37 1HG2 THR 37 13.611 10.836 3.375 232 2HG2 THR 37 2HG2 THR 37 12.728 9.974 2.113 233 3HG2 THR 37 3HG2 THR 37 12.501 11.711 2.321 234 H ALA 38 H ALA 38 16.418 8.030 0.422 235 HA ALA 38 HA ALA 38 17.637 9.509 -1.795 236 1HB ALA 38 1HB ALA 38 19.180 8.164 -0.438 237 2HB ALA 38 2HB ALA 38 19.112 7.609 -2.111 238 3HB ALA 38 3HB ALA 38 18.266 6.712 -0.850 239 HA PRO 39 HA PRO 39 15.281 6.040 -4.106 240 1HB PRO 39 2HB PRO 39 13.594 4.417 -2.754 241 2HB PRO 39 1HB PRO 39 15.307 4.044 -2.966 242 1HG PRO 39 2HG PRO 39 13.895 5.189 -0.593 243 2HG PRO 39 1HG PRO 39 15.188 3.978 -0.654 244 1HD PRO 39 2HD PRO 39 15.605 6.613 -0.067 245 2HD PRO 39 1HD PRO 39 16.832 5.563 -0.804 246 H GLN 40 H GLN 40 13.961 7.416 -5.122 247 HA GLN 40 HA GLN 40 11.551 8.361 -3.711 248 1HB GLN 40 2HB GLN 40 13.047 10.180 -4.335 249 2HB GLN 40 1HB GLN 40 13.087 9.615 -5.998 250 1HG GLN 40 2HG GLN 40 11.659 11.539 -5.817 251 2HG GLN 40 1HG GLN 40 10.693 10.117 -6.207 252 1HE2 GLN 40 1HE2 GLN 40 9.209 9.358 -4.732 253 2HE2 GLN 40 2HE2 GLN 40 8.761 10.244 -3.316 254 HA PRO 41 HA PRO 41 9.622 5.748 -6.902 255 1HB PRO 41 2HB PRO 41 7.294 5.436 -5.540 256 2HB PRO 41 1HB PRO 41 8.714 4.428 -5.242 257 1HG PRO 41 2HG PRO 41 7.706 6.787 -3.709 258 2HG PRO 41 1HG PRO 41 8.378 5.261 -3.106 259 1HD PRO 41 2HD PRO 41 9.819 7.569 -3.241 260 2HD PRO 41 1HD PRO 41 10.551 5.960 -3.390 261 H THR 42 H THR 42 8.514 6.591 -8.570 262 HA THR 42 HA THR 42 7.338 9.237 -8.234 263 HB THR 42 HB THR 42 7.651 7.655 -10.792 264 HG1 THR 42 1HG THR 42 9.640 8.277 -9.484 265 1HG2 THR 42 1HG2 THR 42 6.030 9.502 -10.889 266 2HG2 THR 42 2HG2 THR 42 7.456 9.845 -11.867 267 3HG2 THR 42 3HG2 THR 42 7.265 10.612 -10.291 268 H ALA 43 H ALA 43 5.375 9.083 -7.340 269 HA ALA 43 HA ALA 43 3.134 8.788 -7.176 270 1HB ALA 43 1HB ALA 43 3.082 9.510 -9.507 271 2HB ALA 43 2HB ALA 43 1.850 8.288 -9.195 272 3HB ALA 43 3HB ALA 43 3.336 7.846 -10.035 273 H ALA 44 H ALA 44 1.386 6.884 -8.015 274 HA ALA 44 HA ALA 44 2.587 4.300 -7.353 275 1HB ALA 44 1HB ALA 44 0.823 3.777 -5.770 276 2HB ALA 44 2HB ALA 44 0.094 5.361 -6.025 277 3HB ALA 44 3HB ALA 44 1.676 5.234 -5.257 278 HA PRO 45 HA PRO 45 -0.213 4.194 -10.958 279 1HB PRO 45 2HB PRO 45 1.387 2.841 -12.614 280 2HB PRO 45 1HB PRO 45 1.634 4.558 -12.296 281 1HG PRO 45 2HG PRO 45 3.082 2.193 -11.176 282 2HG PRO 45 1HG PRO 45 3.730 3.754 -11.712 283 1HD PRO 45 2HD PRO 45 3.234 3.088 -9.084 284 2HD PRO 45 1HD PRO 45 3.300 4.749 -9.703 285 H SER 46 H SER 46 1.046 1.830 -8.914 286 HA SER 46 HA SER 46 -1.081 0.002 -9.667 287 1HB SER 46 2HB SER 46 0.984 -0.731 -10.923 288 2HB SER 46 1HB SER 46 1.764 -0.993 -9.366 289 HG SER 46 HG SER 46 -0.706 -2.211 -9.981 290 H ILE 47 H ILE 47 -1.836 -1.171 -7.939 291 HA ILE 47 HA ILE 47 -0.883 -0.246 -5.333 292 HB ILE 47 HB ILE 47 -3.445 -1.629 -6.142 293 1HG1 ILE 47 2HG1 ILE 47 -3.359 0.705 -6.815 294 2HG1 ILE 47 1HG1 ILE 47 -4.490 0.512 -5.482 295 1HG2 ILE 47 1HG2 ILE 47 -2.793 -2.361 -3.918 296 2HG2 ILE 47 2HG2 ILE 47 -4.202 -1.302 -3.846 297 3HG2 ILE 47 3HG2 ILE 47 -2.609 -0.682 -3.407 298 1HD1 ILE 47 1HD1 ILE 47 -1.679 1.559 -5.268 299 2HD1 ILE 47 2HD1 ILE 47 -2.814 1.370 -3.932 300 3HD1 ILE 47 3HD1 ILE 47 -3.155 2.521 -5.224 301 H ASP 48 H ASP 48 0.662 -1.526 -4.503 302 HA ASP 48 HA ASP 48 0.712 -4.355 -5.082 303 1HB ASP 48 2HB ASP 48 2.769 -2.824 -4.795 304 2HB ASP 48 1HB ASP 48 2.466 -2.963 -3.068 305 H VAL 49 H VAL 49 -0.745 -5.566 -4.076 306 HA VAL 49 HA VAL 49 -2.005 -4.707 -1.657 307 HB VAL 49 HB VAL 49 -2.291 -7.370 -3.055 308 1HG1 VAL 49 1HG1 VAL 49 -4.128 -5.911 -1.163 309 2HG1 VAL 49 2HG1 VAL 49 -3.206 -7.373 -0.812 310 3HG1 VAL 49 3HG1 VAL 49 -4.505 -7.414 -2.004 311 1HG2 VAL 49 1HG2 VAL 49 -4.222 -6.374 -4.197 312 2HG2 VAL 49 2HG2 VAL 49 -2.710 -5.574 -4.626 313 3HG2 VAL 49 3HG2 VAL 49 -3.821 -4.808 -3.490 314 H ALA 50 H ALA 50 0.665 -6.721 -2.404 315 HA ALA 50 HA ALA 50 0.528 -8.648 -0.409 316 1HB ALA 50 1HB ALA 50 2.055 -8.815 -2.297 317 2HB ALA 50 2HB ALA 50 2.909 -9.012 -0.766 318 3HB ALA 50 3HB ALA 50 3.019 -7.490 -1.650 319 HA PRO 51 HA PRO 51 3.118 -6.014 2.588 320 1HB PRO 51 2HB PRO 51 3.821 -3.484 2.043 321 2HB PRO 51 1HB PRO 51 4.748 -4.858 1.425 322 1HG PRO 51 2HG PRO 51 2.714 -3.159 0.033 323 2HG PRO 51 1HG PRO 51 4.268 -3.768 -0.566 324 1HD PRO 51 2HD PRO 51 1.856 -4.929 -1.146 325 2HD PRO 51 1HD PRO 51 3.398 -5.803 -1.126 326 H ILE 52 H ILE 52 0.229 -5.261 1.293 327 HA ILE 52 HA ILE 52 -0.443 -3.285 3.350 328 HB ILE 52 HB ILE 52 -2.181 -4.396 1.137 329 1HG1 ILE 52 2HG1 ILE 52 -0.748 -1.736 1.372 330 2HG1 ILE 52 1HG1 ILE 52 -0.309 -3.044 0.283 331 1HG2 ILE 52 1HG2 ILE 52 -3.502 -3.662 3.029 332 2HG2 ILE 52 2HG2 ILE 52 -3.679 -2.517 1.700 333 3HG2 ILE 52 3HG2 ILE 52 -2.642 -2.124 3.073 334 1HD1 ILE 52 1HD1 ILE 52 -2.386 -2.775 -0.924 335 2HD1 ILE 52 2HD1 ILE 52 -1.515 -1.243 -0.851 336 3HD1 ILE 52 3HD1 ILE 52 -2.902 -1.522 0.202 337 H LEU 53 H LEU 53 -1.638 -6.412 2.106 338 HA LEU 53 HA LEU 53 -3.252 -6.823 4.445 339 1HB LEU 53 2HB LEU 53 -2.544 -8.673 2.174 340 2HB LEU 53 1HB LEU 53 -3.664 -9.075 3.461 341 HG LEU 53 HG LEU 53 -4.002 -6.898 1.403 342 1HD1 LEU 53 1HD1 LEU 53 -5.520 -9.448 1.909 343 2HD1 LEU 53 2HD1 LEU 53 -4.421 -9.139 0.565 344 3HD1 LEU 53 3HD1 LEU 53 -5.926 -8.228 0.703 345 1HD2 LEU 53 1HD2 LEU 53 -5.709 -7.631 3.779 346 2HD2 LEU 53 2HD2 LEU 53 -6.232 -6.588 2.455 347 3HD2 LEU 53 3HD2 LEU 53 -4.886 -6.097 3.484 348 H ASP 54 H ASP 54 -0.049 -7.733 3.431 349 HA ASP 54 HA ASP 54 0.427 -9.833 5.233 350 1HB ASP 54 2HB ASP 54 1.946 -9.246 3.373 351 2HB ASP 54 1HB ASP 54 2.390 -7.767 4.216 352 H LYS 55 H LYS 55 0.624 -6.343 5.591 353 HA LYS 55 HA LYS 55 1.627 -6.558 8.300 354 1HB LYS 55 2HB LYS 55 0.611 -4.028 7.020 355 2HB LYS 55 1HB LYS 55 1.819 -4.209 8.286 356 1HG LYS 55 2HG LYS 55 2.125 -4.865 5.367 357 2HG LYS 55 1HG LYS 55 2.931 -3.586 6.274 358 1HD LYS 55 2HD LYS 55 4.271 -5.121 7.452 359 2HD LYS 55 1HD LYS 55 3.267 -6.492 6.969 360 1HE LYS 55 2HE LYS 55 3.958 -6.125 4.624 361 2HE LYS 55 1HE LYS 55 5.032 -4.832 5.168 362 1HZ LYS 55 1HZ LYS 55 6.161 -6.520 6.573 363 2HZ LYS 55 2HZ LYS 55 6.302 -6.815 4.908 364 3HZ LYS 55 3HZ LYS 55 5.206 -7.720 5.841 365 H ALA 56 H ALA 56 -1.384 -6.230 6.636 366 HA ALA 56 HA ALA 56 -2.971 -5.333 8.802 367 1HB ALA 56 1HB ALA 56 -3.784 -7.039 6.450 368 2HB ALA 56 2HB ALA 56 -3.755 -5.276 6.485 369 3HB ALA 56 3HB ALA 56 -4.875 -6.161 7.521 370 H VAL 57 H VAL 57 -1.884 -8.509 7.759 371 HA VAL 57 HA VAL 57 -3.410 -10.086 9.516 372 HB VAL 57 HB VAL 57 -0.668 -10.523 8.321 373 1HG1 VAL 57 1HG1 VAL 57 -0.843 -11.831 10.367 374 2HG1 VAL 57 2HG1 VAL 57 -0.879 -12.874 8.945 375 3HG1 VAL 57 3HG1 VAL 57 -2.372 -12.513 9.812 376 1HG2 VAL 57 1HG2 VAL 57 -1.860 -12.061 6.828 377 2HG2 VAL 57 2HG2 VAL 57 -2.491 -10.419 6.713 378 3HG2 VAL 57 3HG2 VAL 57 -3.380 -11.645 7.618 379 H LYS 58 H LYS 58 -0.238 -8.597 9.861 380 HA LYS 58 HA LYS 58 0.219 -9.564 12.501 381 1HB LYS 58 2HB LYS 58 1.551 -7.292 11.011 382 2HB LYS 58 1HB LYS 58 2.185 -8.110 12.436 383 1HG LYS 58 2HG LYS 58 2.562 -10.109 11.250 384 2HG LYS 58 1HG LYS 58 1.576 -9.574 9.888 385 1HD LYS 58 2HD LYS 58 3.873 -9.417 9.247 386 2HD LYS 58 1HD LYS 58 3.252 -7.782 9.472 387 1HE LYS 58 2HE LYS 58 4.370 -7.548 11.553 388 2HE LYS 58 1HE LYS 58 4.744 -9.268 11.624 389 1HZ LYS 58 1HZ LYS 58 5.859 -7.346 9.645 390 2HZ LYS 58 2HZ LYS 58 6.221 -8.999 9.735 391 3HZ LYS 58 3HZ LYS 58 6.680 -7.961 10.995 392 H ALA 59 H ALA 59 -1.660 -7.050 11.234 393 HA ALA 59 HA ALA 59 -1.649 -5.469 13.670 394 1HB ALA 59 1HB ALA 59 -3.366 -5.223 11.200 395 2HB ALA 59 2HB ALA 59 -1.878 -4.332 11.518 396 3HB ALA 59 3HB ALA 59 -3.296 -4.069 12.533 397 H LYS 60 H LYS 60 -3.535 -7.959 12.119 398 HA LYS 60 HA LYS 60 -5.806 -7.784 13.841 399 1HB LYS 60 2HB LYS 60 -5.839 -8.872 11.604 400 2HB LYS 60 1HB LYS 60 -4.802 -10.143 12.231 401 1HG LYS 60 2HG LYS 60 -7.091 -10.900 12.146 402 2HG LYS 60 1HG LYS 60 -6.565 -10.773 13.824 403 1HD LYS 60 2HD LYS 60 -7.737 -8.681 14.079 404 2HD LYS 60 1HD LYS 60 -8.157 -8.667 12.366 405 1HE LYS 60 2HE LYS 60 -10.047 -9.373 13.753 406 2HE LYS 60 1HE LYS 60 -9.523 -10.660 12.670 407 1HZ LYS 60 1HZ LYS 60 -8.451 -11.775 14.458 408 2HZ LYS 60 2HZ LYS 60 -10.018 -11.380 14.982 409 3HZ LYS 60 3HZ LYS 60 -8.694 -10.463 15.513 410 H GLY 61 H GLY 61 -2.783 -9.569 13.858 411 1HA GLY 61 2HA GLY 61 -1.666 -9.788 15.985 412 2HA GLY 61 1HA GLY 61 -3.235 -10.026 16.737 413 H GLU 62 H GLU 62 -3.925 -11.762 14.366 414 HA GLU 62 HA GLU 62 -2.794 -14.213 15.501 415 1HB GLU 62 2HB GLU 62 -4.719 -15.331 14.360 416 2HB GLU 62 1HB GLU 62 -5.202 -14.154 15.574 417 1HG GLU 62 2HG GLU 62 -5.581 -12.507 13.784 418 2HG GLU 62 1HG GLU 62 -5.183 -13.744 12.594 419 H LYS 63 H LYS 63 -2.004 -15.865 14.125 420 HA LYS 63 HA LYS 63 -0.582 -14.854 11.852 421 1HB LYS 63 2HB LYS 63 -0.057 -16.846 13.593 422 2HB LYS 63 1HB LYS 63 -0.767 -17.787 12.291 423 1HG LYS 63 2HG LYS 63 1.607 -15.949 12.051 424 2HG LYS 63 1HG LYS 63 1.662 -17.708 12.125 425 1HD LYS 63 2HD LYS 63 0.313 -16.093 9.959 426 2HD LYS 63 1HD LYS 63 1.902 -16.847 9.828 427 1HE LYS 63 2HE LYS 63 0.908 -19.043 10.122 428 2HE LYS 63 1HE LYS 63 -0.682 -18.313 10.340 429 1HZ LYS 63 1HZ LYS 63 -0.423 -17.381 8.063 430 2HZ LYS 63 2HZ LYS 63 -0.545 -19.070 8.118 431 3HZ LYS 63 3HZ LYS 63 0.965 -18.334 7.872 432 H LEU 64 H LEU 64 -1.428 -14.626 9.906 433 HA LEU 64 HA LEU 64 -3.554 -16.475 9.052 434 1HB LEU 64 2HB LEU 64 -3.363 -13.547 8.330 435 2HB LEU 64 1HB LEU 64 -4.653 -14.653 7.897 436 HG LEU 64 HG LEU 64 -4.010 -13.704 10.689 437 1HD1 LEU 64 1HD1 LEU 64 -6.133 -12.517 10.534 438 2HD1 LEU 64 2HD1 LEU 64 -6.315 -13.051 8.862 439 3HD1 LEU 64 3HD1 LEU 64 -4.999 -11.962 9.301 440 1HD2 LEU 64 1HD2 LEU 64 -4.880 -15.968 10.694 441 2HD2 LEU 64 2HD2 LEU 64 -6.229 -15.467 9.673 442 3HD2 LEU 64 3HD2 LEU 64 -6.082 -14.836 11.314 443 H GLU 65 H GLU 65 -3.838 -16.374 6.603 444 HA GLU 65 HA GLU 65 -1.516 -15.420 5.149 445 1HB GLU 65 2HB GLU 65 -1.532 -17.672 3.840 446 2HB GLU 65 1HB GLU 65 -0.644 -17.536 5.348 447 1HG GLU 65 2HG GLU 65 -3.060 -18.379 6.242 448 2HG GLU 65 1HG GLU 65 -2.971 -19.178 4.670 449 H TRP 66 H TRP 66 -2.883 -13.903 4.392 450 HA TRP 66 HA TRP 66 -5.454 -14.258 3.383 451 1HB TRP 66 2HB TRP 66 -5.039 -12.012 2.296 452 2HB TRP 66 1HB TRP 66 -4.738 -12.074 4.029 453 HD1 TRP 66 HD TRP 66 -2.218 -11.768 4.851 454 HE1 TRP 66 1HE TRP 66 -0.102 -10.876 3.678 455 HE3 TRP 66 3HE TRP 66 -3.839 -11.938 0.002 456 HZ2 TRP 66 2HZ TRP 66 0.759 -10.330 1.059 457 HZ3 TRP 66 3HZ TRP 66 -2.298 -11.217 -1.776 458 HH2 TRP 66 HH TRP 66 -0.046 -10.429 -1.255 459 H ARG 67 H ARG 67 -2.392 -14.763 1.885 460 HA ARG 67 HA ARG 67 -3.116 -14.459 -0.809 461 1HB ARG 67 2HB ARG 67 -1.098 -15.827 -1.279 462 2HB ARG 67 1HB ARG 67 -0.796 -14.504 -0.162 463 1HG ARG 67 2HG ARG 67 -0.948 -16.101 1.716 464 2HG ARG 67 1HG ARG 67 -1.138 -17.410 0.547 465 1HD ARG 67 2HD ARG 67 1.159 -17.327 1.216 466 2HD ARG 67 1HD ARG 67 1.044 -16.754 -0.447 467 HE ARG 67 HE ARG 67 0.929 -14.584 1.385 468 1HH1 ARG 67 1HH1 ARG 67 3.119 -16.800 -0.198 469 2HH1 ARG 67 2HH1 ARG 67 4.518 -15.794 0.057 470 1HH2 ARG 67 1HH2 ARG 67 2.776 -13.245 1.730 471 2HH2 ARG 67 2HH2 ARG 67 4.327 -13.784 1.137 472 H THR 68 H THR 68 -3.613 -17.046 1.459 473 HA THR 68 HA THR 68 -4.612 -18.753 -0.717 474 HB THR 68 HB THR 68 -4.370 -20.636 0.922 475 HG1 THR 68 1HG THR 68 -4.320 -19.623 2.892 476 1HG2 THR 68 1HG2 THR 68 -1.926 -20.775 0.738 477 2HG2 THR 68 2HG2 THR 68 -1.862 -19.060 0.330 478 3HG2 THR 68 3HG2 THR 68 -2.649 -20.198 -0.764 479 H SER 69 H SER 69 -5.328 -17.573 2.543 480 HA SER 69 HA SER 69 -7.944 -18.864 2.450 481 1HB SER 69 2HB SER 69 -6.621 -17.421 4.756 482 2HB SER 69 1HB SER 69 -8.027 -18.484 4.833 483 HG SER 69 HG SER 69 -5.690 -19.264 5.286 484 H ILE 70 H ILE 70 -9.667 -17.759 1.853 485 HA ILE 70 HA ILE 70 -9.529 -14.941 1.381 486 HB ILE 70 HB ILE 70 -10.843 -16.530 -0.035 487 1HG1 ILE 70 2HG1 ILE 70 -12.790 -15.012 -0.321 488 2HG1 ILE 70 1HG1 ILE 70 -12.345 -14.207 1.183 489 1HG2 ILE 70 1HG2 ILE 70 -11.818 -17.897 1.727 490 2HG2 ILE 70 2HG2 ILE 70 -13.072 -17.213 0.694 491 3HG2 ILE 70 3HG2 ILE 70 -12.768 -16.516 2.284 492 1HD1 ILE 70 1HD1 ILE 70 -11.569 -12.937 -0.712 493 2HD1 ILE 70 2HD1 ILE 70 -10.700 -14.341 -1.330 494 3HD1 ILE 70 3HD1 ILE 70 -10.190 -13.587 0.179 495 H VAL 71 H VAL 71 -10.674 -16.970 3.940 496 HA VAL 71 HA VAL 71 -12.349 -15.061 5.212 497 HB VAL 71 HB VAL 71 -12.608 -17.452 5.634 498 1HG1 VAL 71 1HG1 VAL 71 -10.994 -18.664 7.056 499 2HG1 VAL 71 2HG1 VAL 71 -9.902 -17.283 6.947 500 3HG1 VAL 71 3HG1 VAL 71 -10.324 -18.190 5.495 501 1HG2 VAL 71 1HG2 VAL 71 -11.821 -15.941 8.122 502 2HG2 VAL 71 2HG2 VAL 71 -12.806 -17.404 8.073 503 3HG2 VAL 71 3HG2 VAL 71 -13.402 -15.915 7.341 504 H ASP 72 H ASP 72 -8.936 -15.678 5.217 505 HA ASP 72 HA ASP 72 -8.295 -14.495 7.709 506 1HB ASP 72 2HB ASP 72 -6.674 -15.159 5.262 507 2HB ASP 72 1HB ASP 72 -5.958 -14.341 6.646 508 H LEU 73 H LEU 73 -8.071 -13.249 4.377 509 HA LEU 73 HA LEU 73 -7.159 -10.694 5.205 510 1HB LEU 73 2HB LEU 73 -7.716 -9.996 2.879 511 2HB LEU 73 1HB LEU 73 -6.631 -11.364 3.002 512 HG LEU 73 HG LEU 73 -8.834 -12.763 2.687 513 1HD1 LEU 73 1HD1 LEU 73 -9.580 -10.140 1.404 514 2HD1 LEU 73 2HD1 LEU 73 -10.378 -10.887 2.789 515 3HD1 LEU 73 3HD1 LEU 73 -10.439 -11.669 1.208 516 1HD2 LEU 73 1HD2 LEU 73 -6.923 -12.768 1.170 517 2HD2 LEU 73 2HD2 LEU 73 -7.509 -11.283 0.419 518 3HD2 LEU 73 3HD2 LEU 73 -8.445 -12.772 0.280 519 H MET 74 H MET 74 -10.290 -12.119 4.852 520 HA MET 74 HA MET 74 -11.839 -9.777 4.704 521 1HB MET 74 2HB MET 74 -12.806 -11.935 4.188 522 2HB MET 74 1HB MET 74 -12.489 -12.512 5.817 523 1HG MET 74 2HG MET 74 -14.090 -10.926 6.716 524 2HG MET 74 1HG MET 74 -14.384 -10.285 5.101 525 1HE MET 74 1HE MET 74 -15.440 -14.613 6.308 526 2HE MET 74 2HE MET 74 -14.658 -13.472 7.399 527 3HE MET 74 3HE MET 74 -13.794 -14.068 5.980 528 H LYS 75 H LYS 75 -10.906 -11.771 7.511 529 HA LYS 75 HA LYS 75 -12.166 -9.993 9.352 530 1HB LYS 75 2HB LYS 75 -10.900 -11.350 11.081 531 2HB LYS 75 1HB LYS 75 -12.035 -12.223 10.066 532 1HG LYS 75 2HG LYS 75 -10.183 -13.036 8.693 533 2HG LYS 75 1HG LYS 75 -9.042 -12.155 9.711 534 1HD LYS 75 2HD LYS 75 -9.609 -13.507 11.615 535 2HD LYS 75 1HD LYS 75 -10.921 -14.283 10.726 536 1HE LYS 75 2HE LYS 75 -9.346 -15.322 9.221 537 2HE LYS 75 1HE LYS 75 -8.007 -14.459 9.971 538 1HZ LYS 75 1HZ LYS 75 -8.151 -16.753 10.731 539 2HZ LYS 75 2HZ LYS 75 -9.715 -16.484 11.323 540 3HZ LYS 75 3HZ LYS 75 -8.393 -15.672 12.018 541 H ALA 76 H ALA 76 -8.835 -10.490 8.304 542 HA ALA 76 HA ALA 76 -7.548 -8.921 10.225 543 1HB ALA 76 1HB ALA 76 -5.649 -8.891 8.730 544 2HB ALA 76 2HB ALA 76 -6.671 -9.369 7.374 545 3HB ALA 76 3HB ALA 76 -6.395 -10.489 8.709 546 H LEU 77 H LEU 77 -9.170 -8.008 7.258 547 HA LEU 77 HA LEU 77 -8.026 -5.380 7.217 548 1HB LEU 77 2HB LEU 77 -8.937 -6.863 5.248 549 2HB LEU 77 1HB LEU 77 -10.470 -6.119 5.660 550 HG LEU 77 HG LEU 77 -9.263 -5.002 3.788 551 1HD1 LEU 77 1HD1 LEU 77 -9.629 -2.731 4.569 552 2HD1 LEU 77 2HD1 LEU 77 -9.655 -3.294 6.241 553 3HD1 LEU 77 3HD1 LEU 77 -10.923 -3.794 5.122 554 1HD2 LEU 77 1HD2 LEU 77 -6.990 -5.329 4.613 555 2HD2 LEU 77 2HD2 LEU 77 -7.314 -4.233 5.956 556 3HD2 LEU 77 3HD2 LEU 77 -7.317 -3.625 4.299 557 H ASP 78 H ASP 78 -11.390 -6.578 7.735 558 HA ASP 78 HA ASP 78 -11.962 -4.253 9.364 559 1HB ASP 78 2HB ASP 78 -12.028 -3.225 7.193 560 2HB ASP 78 1HB ASP 78 -13.026 -4.519 6.550 561 H ILE 79 H ILE 79 -12.646 -7.449 8.580 562 HA ILE 79 HA ILE 79 -15.511 -7.106 9.203 563 HB ILE 79 HB ILE 79 -14.294 -9.329 7.558 564 1HG1 ILE 79 2HG1 ILE 79 -14.106 -7.112 6.460 565 2HG1 ILE 79 1HG1 ILE 79 -15.220 -8.185 5.612 566 1HG2 ILE 79 1HG2 ILE 79 -16.590 -9.847 6.941 567 2HG2 ILE 79 2HG2 ILE 79 -17.180 -8.523 7.942 568 3HG2 ILE 79 3HG2 ILE 79 -16.406 -9.915 8.693 569 1HD1 ILE 79 1HD1 ILE 79 -17.107 -7.039 6.601 570 2HD1 ILE 79 2HD1 ILE 79 -16.063 -5.887 5.771 571 3HD1 ILE 79 3HD1 ILE 79 -16.024 -6.007 7.532 572 H ASP 80 H ASP 80 -16.567 -8.618 10.460 573 HA ASP 80 HA ASP 80 -15.069 -9.487 12.724 574 1HB ASP 80 2HB ASP 80 -17.911 -10.287 12.136 575 2HB ASP 80 1HB ASP 80 -17.151 -10.023 13.700 576 H SER 81 H SER 81 -15.515 -10.943 9.787 577 HA SER 81 HA SER 81 -15.611 -13.035 8.922 578 1HB SER 81 2HB SER 81 -14.021 -14.674 9.947 579 2HB SER 81 1HB SER 81 -13.308 -13.095 9.629 580 HG SER 81 HG SER 81 -14.304 -13.057 12.092 581 H SER 82 H SER 82 -17.801 -12.407 10.640 582 HA SER 82 HA SER 82 -18.349 -14.797 12.174 583 1HB SER 82 2HB SER 82 -20.514 -13.551 12.655 584 2HB SER 82 1HB SER 82 -19.036 -12.747 13.191 585 HG SER 82 HG SER 82 -20.150 -11.193 12.124 586 H LEU 83 H LEU 83 -20.920 -15.387 11.905 587 HA LEU 83 HA LEU 83 -21.093 -16.798 9.470 588 1HB LEU 83 2HB LEU 83 -22.309 -17.313 11.630 589 2HB LEU 83 1HB LEU 83 -23.404 -16.003 11.249 590 HG LEU 83 HG LEU 83 -24.213 -18.356 10.736 591 1HD1 LEU 83 1HD1 LEU 83 -24.164 -16.402 8.438 592 2HD1 LEU 83 2HD1 LEU 83 -25.289 -16.370 9.797 593 3HD1 LEU 83 3HD1 LEU 83 -25.312 -17.722 8.665 594 1HD2 LEU 83 1HD2 LEU 83 -23.456 -19.347 8.631 595 2HD2 LEU 83 2HD2 LEU 83 -22.146 -19.236 9.806 596 3HD2 LEU 83 3HD2 LEU 83 -22.235 -18.082 8.476 597 H SER 84 H SER 84 -22.411 -13.716 10.542 598 HA SER 84 HA SER 84 -23.984 -13.146 8.295 599 1HB SER 84 2HB SER 84 -22.522 -11.127 10.003 600 2HB SER 84 1HB SER 84 -24.025 -10.894 9.110 601 HG SER 84 HG SER 84 -24.454 -11.254 11.313 602 H ALA 85 H ALA 85 -20.562 -12.685 8.955 603 HA ALA 85 HA ALA 85 -19.920 -11.050 6.758 604 1HB ALA 85 1HB ALA 85 -18.172 -13.075 8.154 605 2HB ALA 85 2HB ALA 85 -18.411 -11.401 8.655 606 3HB ALA 85 3HB ALA 85 -17.617 -11.756 7.121 607 H ARG 86 H ARG 86 -19.629 -14.597 7.134 608 HA ARG 86 HA ARG 86 -18.917 -15.100 4.448 609 1HB ARG 86 2HB ARG 86 -20.007 -16.784 6.657 610 2HB ARG 86 1HB ARG 86 -20.091 -17.417 5.021 611 1HG ARG 86 2HG ARG 86 -18.101 -18.280 5.812 612 2HG ARG 86 1HG ARG 86 -17.584 -16.861 4.905 613 1HD ARG 86 2HD ARG 86 -16.388 -16.964 6.992 614 2HD ARG 86 1HD ARG 86 -17.487 -15.587 7.015 615 HE ARG 86 HE ARG 86 -19.009 -17.111 8.322 616 1HH1 ARG 86 1HH1 ARG 86 -15.547 -17.568 8.345 617 2HH1 ARG 86 2HH1 ARG 86 -15.504 -18.202 9.955 618 1HH2 ARG 86 1HH2 ARG 86 -18.974 -17.986 10.439 619 2HH2 ARG 86 2HH2 ARG 86 -17.456 -18.423 11.157 620 H LYS 87 H LYS 87 -21.975 -14.576 5.989 621 HA LYS 87 HA LYS 87 -23.669 -15.734 4.065 622 1HB LYS 87 2HB LYS 87 -24.357 -15.187 6.373 623 2HB LYS 87 1HB LYS 87 -24.233 -13.476 5.995 624 1HG LYS 87 2HG LYS 87 -26.524 -14.037 5.897 625 2HG LYS 87 1HG LYS 87 -25.982 -13.844 4.228 626 1HD LYS 87 2HD LYS 87 -27.269 -15.795 4.187 627 2HD LYS 87 1HD LYS 87 -25.605 -16.378 4.265 628 1HE LYS 87 2HE LYS 87 -25.824 -16.705 6.674 629 2HE LYS 87 1HE LYS 87 -27.478 -16.099 6.612 630 1HZ LYS 87 1HZ LYS 87 -26.422 -18.589 5.400 631 2HZ LYS 87 2HZ LYS 87 -27.956 -17.962 5.043 632 3HZ LYS 87 3HZ LYS 87 -27.589 -18.445 6.628 633 H GLU 88 H GLU 88 -22.817 -12.310 4.607 634 HA GLU 88 HA GLU 88 -24.356 -11.515 2.333 635 1HB GLU 88 2HB GLU 88 -23.539 -9.237 2.837 636 2HB GLU 88 1HB GLU 88 -24.278 -10.036 4.217 637 1HG GLU 88 2HG GLU 88 -22.015 -10.579 5.055 638 2HG GLU 88 1HG GLU 88 -21.336 -9.654 3.712 639 H LEU 89 H LEU 89 -20.899 -11.915 2.968 640 HA LEU 89 HA LEU 89 -19.972 -10.746 0.583 641 1HB LEU 89 2HB LEU 89 -18.458 -11.248 2.399 642 2HB LEU 89 1HB LEU 89 -18.800 -12.961 2.262 643 HG LEU 89 HG LEU 89 -17.680 -13.052 0.101 644 1HD1 LEU 89 1HD1 LEU 89 -18.242 -10.784 -0.663 645 2HD1 LEU 89 2HD1 LEU 89 -16.527 -11.155 -0.837 646 3HD1 LEU 89 3HD1 LEU 89 -17.075 -10.127 0.484 647 1HD2 LEU 89 1HD2 LEU 89 -15.395 -12.591 0.853 648 2HD2 LEU 89 2HD2 LEU 89 -16.344 -13.402 2.099 649 3HD2 LEU 89 3HD2 LEU 89 -16.035 -11.669 2.215 650 H ALA 90 H ALA 90 -20.937 -14.067 1.338 651 HA ALA 90 HA ALA 90 -20.256 -15.123 -1.190 652 1HB ALA 90 1HB ALA 90 -22.264 -16.155 0.806 653 2HB ALA 90 2HB ALA 90 -20.540 -16.532 0.774 654 3HB ALA 90 3HB ALA 90 -21.584 -17.060 -0.545 655 H LYS 91 H LYS 91 -23.262 -13.721 0.092 656 HA LYS 91 HA LYS 91 -24.754 -14.457 -2.244 657 1HB LYS 91 2HB LYS 91 -26.611 -13.304 -1.289 658 2HB LYS 91 1HB LYS 91 -25.794 -14.164 0.007 659 1HG LYS 91 2HG LYS 91 -24.753 -12.095 0.746 660 2HG LYS 91 1HG LYS 91 -25.513 -11.224 -0.588 661 1HD LYS 91 2HD LYS 91 -27.734 -11.901 0.321 662 2HD LYS 91 1HD LYS 91 -26.901 -12.596 1.713 663 1HE LYS 91 2HE LYS 91 -25.978 -10.408 2.265 664 2HE LYS 91 1HE LYS 91 -26.780 -9.705 0.859 665 1HZ LYS 91 1HZ LYS 91 -28.090 -9.252 2.774 666 2HZ LYS 91 2HZ LYS 91 -28.075 -10.880 3.260 667 3HZ LYS 91 3HZ LYS 91 -28.917 -10.422 1.860 668 H GLU 92 H GLU 92 -22.664 -11.865 -1.484 669 HA GLU 92 HA GLU 92 -23.652 -10.035 -3.445 670 1HB GLU 92 2HB GLU 92 -20.991 -10.330 -2.056 671 2HB GLU 92 1HB GLU 92 -21.270 -9.108 -3.286 672 1HG GLU 92 2HG GLU 92 -22.864 -9.370 -0.750 673 2HG GLU 92 1HG GLU 92 -21.504 -8.272 -0.978 674 H LEU 93 H LEU 93 -21.612 -12.831 -3.459 675 HA LEU 93 HA LEU 93 -20.786 -12.348 -6.218 676 1HB LEU 93 2HB LEU 93 -20.098 -14.611 -4.344 677 2HB LEU 93 1HB LEU 93 -19.376 -14.322 -5.917 678 HG LEU 93 HG LEU 93 -19.148 -12.485 -3.526 679 1HD1 LEU 93 1HD1 LEU 93 -16.788 -13.190 -3.519 680 2HD1 LEU 93 2HD1 LEU 93 -17.160 -14.382 -4.765 681 3HD1 LEU 93 3HD1 LEU 93 -17.896 -14.515 -3.169 682 1HD2 LEU 93 1HD2 LEU 93 -17.508 -11.285 -4.868 683 2HD2 LEU 93 2HD2 LEU 93 -19.085 -11.289 -5.655 684 3HD2 LEU 93 3HD2 LEU 93 -17.812 -12.367 -6.227 685 H GLY 94 H GLY 94 -22.780 -14.576 -4.328 686 1HA GLY 94 2HA GLY 94 -24.611 -15.077 -6.342 687 2HA GLY 94 1HA GLY 94 -23.374 -16.313 -6.510 688 H TYR 95 H TYR 95 -22.768 -16.665 -3.797 689 HA TYR 95 HA TYR 95 -23.358 -17.812 -1.939 690 1HB TYR 95 2HB TYR 95 -25.132 -16.058 -1.693 691 2HB TYR 95 1HB TYR 95 -26.237 -17.119 -2.552 692 HD1 TYR 95 1HD TYR 95 -27.464 -18.741 -1.371 693 HD2 TYR 95 2HD TYR 95 -24.094 -16.918 0.476 694 HE1 TYR 95 1HE TYR 95 -28.057 -19.814 0.761 695 HE2 TYR 95 2HE TYR 95 -24.678 -17.986 2.612 696 HH TYR 95 HH TYR 95 -27.076 -20.458 2.834 697 H SER 96 H SER 96 -22.867 -19.858 -2.288 698 HA SER 96 HA SER 96 -24.937 -21.597 -3.413 699 1HB SER 96 2HB SER 96 -21.997 -21.749 -4.129 700 2HB SER 96 1HB SER 96 -23.267 -22.831 -4.706 701 HG SER 96 HG SER 96 -24.132 -20.460 -5.277 702 H GLY 97 H GLY 97 -25.458 -23.010 -1.908 703 1HA GLY 97 2HA GLY 97 -23.319 -24.109 -0.193 704 2HA GLY 97 1HA GLY 97 -24.836 -23.557 0.501 705 H ASP 98 H ASP 98 -23.957 -25.490 -2.328 706 HA ASP 98 HA ASP 98 -26.122 -27.354 -1.721 707 1HB ASP 98 2HB ASP 98 -25.578 -26.324 -4.048 708 2HB ASP 98 1HB ASP 98 -24.277 -27.508 -4.100 709 H MET 99 H MET 99 -24.663 -29.532 -3.186 710 HA MET 99 HA MET 99 -23.429 -30.714 -0.896 711 1HB MET 99 2HB MET 99 -23.004 -32.636 -2.331 712 2HB MET 99 1HB MET 99 -24.653 -32.063 -2.531 713 1HG MET 99 2HG MET 99 -24.081 -31.011 -4.622 714 2HG MET 99 1HG MET 99 -22.382 -31.425 -4.403 715 1HE MET 99 1HE MET 99 -26.010 -32.873 -4.944 716 2HE MET 99 2HE MET 99 -25.440 -33.710 -3.500 717 3HE MET 99 3HE MET 99 -25.672 -34.603 -5.002 718 H ASN 100 H ASN 100 -22.279 -28.411 -2.897 719 HA ASN 100 HA ASN 100 -19.607 -29.240 -3.347 720 1HB ASN 100 2HB ASN 100 -19.126 -26.821 -3.642 721 2HB ASN 100 1HB ASN 100 -20.522 -27.351 -4.574 722 1HD2 ASN 100 1HD2 ASN 100 -19.457 -25.500 -1.796 723 2HD2 ASN 100 2HD2 ASN 100 -20.928 -24.610 -1.597 724 H ASP 101 H ASP 101 -21.303 -28.006 -0.600 725 HA ASP 101 HA ASP 101 -20.754 -27.807 1.590 726 1HB ASP 101 2HB ASP 101 -19.803 -30.058 1.248 727 2HB ASP 101 1HB ASP 101 -18.273 -29.342 0.766 728 H SER 102 H SER 102 -18.951 -26.904 3.109 729 HA SER 102 HA SER 102 -18.138 -24.378 2.176 730 1HB SER 102 2HB SER 102 -17.020 -25.888 4.552 731 2HB SER 102 1HB SER 102 -17.008 -24.141 4.302 732 HG SER 102 HG SER 102 -19.087 -25.832 5.082 733 H ALA 103 H ALA 103 -16.734 -27.494 1.954 734 HA ALA 103 HA ALA 103 -14.013 -26.974 1.740 735 1HB ALA 103 1HB ALA 103 -14.994 -29.223 1.813 736 2HB ALA 103 2HB ALA 103 -13.872 -29.035 0.466 737 3HB ALA 103 3HB ALA 103 -15.612 -28.997 0.176 738 H SER 104 H SER 104 -16.413 -27.102 -0.899 739 HA SER 104 HA SER 104 -14.498 -25.980 -2.750 740 1HB SER 104 2HB SER 104 -16.104 -27.667 -3.531 741 2HB SER 104 1HB SER 104 -17.443 -26.600 -3.110 742 HG SER 104 HG SER 104 -16.122 -25.087 -4.608 743 H MET 105 H MET 105 -16.817 -24.811 -0.541 744 HA MET 105 HA MET 105 -17.561 -22.418 -1.858 745 1HB MET 105 2HB MET 105 -18.874 -23.301 -0.006 746 2HB MET 105 1HB MET 105 -17.519 -23.066 1.092 747 1HG MET 105 2HG MET 105 -17.651 -20.660 0.757 748 2HG MET 105 1HG MET 105 -18.988 -20.881 -0.368 749 1HE MET 105 1HE MET 105 -20.683 -19.259 2.777 750 2HE MET 105 2HE MET 105 -20.346 -19.092 1.052 751 3HE MET 105 3HE MET 105 -19.037 -18.945 2.228 752 H ASN 106 H ASN 106 -14.884 -23.236 0.299 753 HA ASN 106 HA ASN 106 -13.951 -20.578 0.642 754 1HB ASN 106 2HB ASN 106 -13.268 -22.447 2.113 755 2HB ASN 106 1HB ASN 106 -12.388 -23.171 0.771 756 1HD2 ASN 106 1HD2 ASN 106 -10.422 -23.076 1.828 757 2HD2 ASN 106 2HD2 ASN 106 -9.576 -21.593 2.112 758 H ILE 107 H ILE 107 -13.343 -23.072 -1.754 759 HA ILE 107 HA ILE 107 -11.190 -21.800 -3.075 760 HB ILE 107 HB ILE 107 -13.185 -23.747 -4.240 761 1HG1 ILE 107 2HG1 ILE 107 -10.514 -24.288 -2.915 762 2HG1 ILE 107 1HG1 ILE 107 -12.087 -24.598 -2.184 763 1HG2 ILE 107 1HG2 ILE 107 -11.377 -24.283 -5.819 764 2HG2 ILE 107 2HG2 ILE 107 -10.390 -23.007 -5.108 765 3HG2 ILE 107 3HG2 ILE 107 -11.887 -22.601 -5.946 766 1HD1 ILE 107 1HD1 ILE 107 -11.085 -26.630 -3.070 767 2HD1 ILE 107 2HD1 ILE 107 -11.015 -25.903 -4.676 768 3HD1 ILE 107 3HD1 ILE 107 -12.575 -26.229 -3.922 769 H TRP 108 H TRP 108 -14.597 -22.109 -4.027 770 HA TRP 108 HA TRP 108 -14.543 -20.472 -6.265 771 1HB TRP 108 2HB TRP 108 -16.422 -21.880 -5.937 772 2HB TRP 108 1HB TRP 108 -16.750 -21.204 -4.346 773 HD1 TRP 108 HD TRP 108 -17.079 -20.300 -8.084 774 HE1 TRP 108 1HE TRP 108 -18.905 -18.491 -8.318 775 HE3 TRP 108 3HE TRP 108 -18.005 -19.451 -3.128 776 HZ2 TRP 108 2HZ TRP 108 -20.518 -16.923 -6.610 777 HZ3 TRP 108 3HZ TRP 108 -19.705 -17.785 -2.514 778 HH2 TRP 108 HH TRP 108 -20.929 -16.549 -4.218 779 H LEU 109 H LEU 109 -15.120 -19.614 -2.893 780 HA LEU 109 HA LEU 109 -15.966 -16.956 -3.344 781 1HB LEU 109 2HB LEU 109 -16.158 -18.435 -1.227 782 2HB LEU 109 1HB LEU 109 -14.536 -17.883 -0.863 783 HG LEU 109 HG LEU 109 -15.442 -15.519 -0.974 784 1HD1 LEU 109 1HD1 LEU 109 -18.083 -16.956 -0.841 785 2HD1 LEU 109 2HD1 LEU 109 -17.473 -16.077 -2.239 786 3HD1 LEU 109 3HD1 LEU 109 -17.823 -15.213 -0.742 787 1HD2 LEU 109 1HD2 LEU 109 -14.958 -16.648 1.134 788 2HD2 LEU 109 2HD2 LEU 109 -16.564 -17.379 1.120 789 3HD2 LEU 109 3HD2 LEU 109 -16.392 -15.630 1.277 790 H HIS 110 H HIS 110 -12.820 -18.405 -2.636 791 HA HIS 110 HA HIS 110 -11.387 -15.974 -2.380 792 1HB HIS 110 2HB HIS 110 -10.650 -18.197 -1.485 793 2HB HIS 110 1HB HIS 110 -10.308 -18.699 -3.135 794 HD1 HIS 110 1HD HIS 110 -8.027 -18.156 -4.021 795 HD2 HIS 110 2HD HIS 110 -8.937 -16.012 -0.581 796 HE1 HIS 110 1HE HIS 110 -5.899 -16.983 -3.375 797 HE2 HIS 110 2HE HIS 110 -6.435 -15.830 -1.201 798 H LYS 111 H LYS 111 -12.549 -17.702 -5.092 799 HA LYS 111 HA LYS 111 -10.662 -16.536 -6.979 800 1HB LYS 111 2HB LYS 111 -13.196 -18.121 -7.482 801 2HB LYS 111 1HB LYS 111 -11.975 -17.719 -8.679 802 1HG LYS 111 2HG LYS 111 -11.332 -19.343 -6.246 803 2HG LYS 111 1HG LYS 111 -11.970 -20.074 -7.717 804 1HD LYS 111 2HD LYS 111 -9.477 -18.382 -7.605 805 2HD LYS 111 1HD LYS 111 -9.490 -20.146 -7.531 806 1HE LYS 111 2HE LYS 111 -10.665 -20.172 -9.719 807 2HE LYS 111 1HE LYS 111 -10.478 -18.422 -9.798 808 1HZ LYS 111 1HZ LYS 111 -8.778 -19.718 -11.039 809 2HZ LYS 111 2HZ LYS 111 -8.195 -20.300 -9.557 810 3HZ LYS 111 3HZ LYS 111 -8.131 -18.642 -9.903 811 H GLN 112 H GLN 112 -14.110 -16.290 -6.176 812 HA GLN 112 HA GLN 112 -14.600 -14.400 -8.269 813 1HB GLN 112 2HB GLN 112 -16.185 -15.996 -6.435 814 2HB GLN 112 1HB GLN 112 -16.834 -14.373 -6.625 815 1HG GLN 112 2HG GLN 112 -17.852 -15.897 -8.204 816 2HG GLN 112 1HG GLN 112 -16.904 -14.678 -9.049 817 1HE2 GLN 112 1HE2 GLN 112 -15.548 -17.473 -7.416 818 2HE2 GLN 112 2HE2 GLN 112 -14.999 -18.278 -8.849 819 H VAL 113 H VAL 113 -13.721 -14.104 -4.927 820 HA VAL 113 HA VAL 113 -14.481 -11.347 -4.733 821 HB VAL 113 HB VAL 113 -12.463 -12.957 -3.149 822 1HG1 VAL 113 1HG1 VAL 113 -11.860 -10.583 -3.116 823 2HG1 VAL 113 2HG1 VAL 113 -12.462 -11.110 -1.544 824 3HG1 VAL 113 3HG1 VAL 113 -13.501 -10.171 -2.614 825 1HG2 VAL 113 1HG2 VAL 113 -14.163 -12.882 -1.388 826 2HG2 VAL 113 2HG2 VAL 113 -14.783 -13.662 -2.843 827 3HG2 VAL 113 3HG2 VAL 113 -15.245 -12.002 -2.467 828 H MET 114 H MET 114 -11.640 -13.125 -5.776 829 HA MET 114 HA MET 114 -9.892 -10.873 -5.863 830 1HB MET 114 2HB MET 114 -9.665 -13.664 -6.979 831 2HB MET 114 1HB MET 114 -8.409 -12.451 -7.187 832 1HG MET 114 2HG MET 114 -9.442 -13.474 -4.552 833 2HG MET 114 1HG MET 114 -7.928 -13.949 -5.324 834 1HE MET 114 1HE MET 114 -6.664 -13.344 -3.043 835 2HE MET 114 2HE MET 114 -8.187 -12.831 -2.317 836 3HE MET 114 3HE MET 114 -6.780 -11.770 -2.254 837 H SER 115 H SER 115 -12.130 -12.295 -8.110 838 HA SER 115 HA SER 115 -11.059 -11.155 -10.467 839 1HB SER 115 2HB SER 115 -13.414 -11.521 -11.353 840 2HB SER 115 1HB SER 115 -12.593 -12.950 -10.725 841 HG SER 115 HG SER 115 -14.833 -12.607 -10.029 842 H LYS 116 H LYS 116 -12.555 -9.751 -7.798 843 HA LYS 116 HA LYS 116 -13.100 -7.279 -9.300 844 1HB LYS 116 2HB LYS 116 -13.872 -8.114 -6.493 845 2HB LYS 116 1HB LYS 116 -14.097 -6.489 -7.111 846 1HG LYS 116 2HG LYS 116 -16.186 -7.593 -7.248 847 2HG LYS 116 1HG LYS 116 -15.565 -7.460 -8.893 848 1HD LYS 116 2HD LYS 116 -14.960 -9.748 -8.945 849 2HD LYS 116 1HD LYS 116 -15.199 -9.926 -7.207 850 1HE LYS 116 2HE LYS 116 -17.579 -9.639 -7.461 851 2HE LYS 116 1HE LYS 116 -17.388 -9.289 -9.181 852 1HZ LYS 116 1HZ LYS 116 -16.760 -11.493 -9.617 853 2HZ LYS 116 2HZ LYS 116 -18.092 -11.624 -8.575 854 3HZ LYS 116 3HZ LYS 116 -16.521 -11.848 -7.979 855 H LEU 117 H LEU 117 -11.796 -8.248 -6.171 856 HA LEU 117 HA LEU 117 -10.599 -6.018 -5.284 857 1HB LEU 117 2HB LEU 117 -10.749 -8.100 -4.030 858 2HB LEU 117 1HB LEU 117 -9.535 -8.830 -5.059 859 HG LEU 117 HG LEU 117 -7.880 -7.173 -4.213 860 1HD1 LEU 117 1HD1 LEU 117 -8.419 -5.899 -2.205 861 2HD1 LEU 117 2HD1 LEU 117 -10.093 -6.446 -2.304 862 3HD1 LEU 117 3HD1 LEU 117 -9.423 -5.413 -3.568 863 1HD2 LEU 117 1HD2 LEU 117 -9.238 -8.832 -2.090 864 2HD2 LEU 117 2HD2 LEU 117 -7.583 -8.223 -2.038 865 3HD2 LEU 117 3HD2 LEU 117 -8.044 -9.416 -3.252 866 H VAL 118 H VAL 118 -8.519 -8.513 -6.788 867 HA VAL 118 HA VAL 118 -6.429 -6.582 -7.070 868 HB VAL 118 HB VAL 118 -5.128 -8.381 -8.128 869 1HG1 VAL 118 1HG1 VAL 118 -6.581 -9.206 -5.612 870 2HG1 VAL 118 2HG1 VAL 118 -5.150 -8.176 -5.704 871 3HG1 VAL 118 3HG1 VAL 118 -5.050 -9.872 -6.180 872 1HG2 VAL 118 1HG2 VAL 118 -6.066 -10.643 -8.278 873 2HG2 VAL 118 2HG2 VAL 118 -6.898 -9.512 -9.343 874 3HG2 VAL 118 3HG2 VAL 118 -7.649 -10.011 -7.826 875 H ALA 119 H ALA 119 -9.053 -7.487 -9.016 876 HA ALA 119 HA ALA 119 -7.910 -6.926 -11.569 877 1HB ALA 119 1HB ALA 119 -10.803 -6.928 -10.715 878 2HB ALA 119 2HB ALA 119 -9.905 -8.307 -11.349 879 3HB ALA 119 3HB ALA 119 -10.216 -6.911 -12.379 880 H ASN 120 H ASN 120 -9.095 -4.993 -8.978 881 HA ASN 120 HA ASN 120 -9.705 -2.640 -10.463 882 1HB ASN 120 2HB ASN 120 -9.040 -3.112 -7.567 883 2HB ASN 120 1HB ASN 120 -9.239 -1.485 -8.198 884 1HD2 ASN 120 1HD2 ASN 120 -11.077 -4.322 -9.181 885 2HD2 ASN 120 2HD2 ASN 120 -12.586 -3.790 -8.536 886 H GLY 121 H GLY 121 -6.772 -4.185 -9.867 887 1HA GLY 121 2HA GLY 121 -4.913 -3.147 -11.174 888 2HA GLY 121 1HA GLY 121 -5.300 -1.660 -10.319 889 H GLY 122 H GLY 122 -5.535 -4.585 -8.549 890 1HA GLY 122 2HA GLY 122 -3.310 -3.776 -6.876 891 2HA GLY 122 1HA GLY 122 -4.450 -5.076 -6.548 892 H LYS 123 H LYS 123 -1.368 -4.656 -6.859 893 HA LYS 123 HA LYS 123 -0.700 -6.711 -8.788 894 1HB LYS 123 2HB LYS 123 0.679 -4.600 -8.203 895 2HB LYS 123 1HB LYS 123 1.159 -5.473 -6.758 896 1HG LYS 123 2HG LYS 123 1.608 -6.490 -9.558 897 2HG LYS 123 1HG LYS 123 2.790 -5.557 -8.644 898 1HD LYS 123 2HD LYS 123 1.645 -8.234 -7.848 899 2HD LYS 123 1HD LYS 123 3.250 -7.956 -8.524 900 1HE LYS 123 2HE LYS 123 2.232 -6.842 -5.909 901 2HE LYS 123 1HE LYS 123 3.292 -8.237 -6.077 902 1HZ LYS 123 1HZ LYS 123 5.002 -6.853 -6.975 903 2HZ LYS 123 2HZ LYS 123 4.458 -6.142 -5.531 904 3HZ LYS 123 3HZ LYS 123 3.973 -5.507 -7.022 905 H LEU 124 H LEU 124 -0.494 -8.805 -8.320 906 HA LEU 124 HA LEU 124 -0.022 -9.591 -5.557 907 1HB LEU 124 2HB LEU 124 -1.631 -11.436 -5.694 908 2HB LEU 124 1HB LEU 124 -2.398 -9.872 -5.785 909 HG LEU 124 HG LEU 124 -3.566 -11.361 -7.224 910 1HD1 LEU 124 1HD1 LEU 124 -3.481 -10.303 -9.360 911 2HD1 LEU 124 2HD1 LEU 124 -1.869 -9.676 -9.036 912 3HD1 LEU 124 3HD1 LEU 124 -3.245 -9.087 -8.104 913 1HD2 LEU 124 1HD2 LEU 124 -1.893 -13.075 -7.512 914 2HD2 LEU 124 2HD2 LEU 124 -0.952 -12.008 -8.553 915 3HD2 LEU 124 3HD2 LEU 124 -2.540 -12.570 -9.074 916 HA PRO 125 HA PRO 125 2.841 -12.388 -7.500 917 1HB PRO 125 2HB PRO 125 3.398 -13.968 -5.394 918 2HB PRO 125 1HB PRO 125 3.961 -12.295 -5.469 919 1HG PRO 125 2HG PRO 125 1.651 -13.453 -3.970 920 2HG PRO 125 1HG PRO 125 2.813 -12.216 -3.459 921 1HD PRO 125 2HD PRO 125 0.280 -11.681 -4.393 922 2HD PRO 125 1HD PRO 125 1.632 -10.534 -4.454 923 HA PRO 126 HA PRO 126 0.725 -16.083 -8.770 924 1HB PRO 126 2HB PRO 126 2.536 -18.102 -8.299 925 2HB PRO 126 1HB PRO 126 2.595 -17.010 -9.686 926 1HG PRO 126 2HG PRO 126 4.104 -16.875 -7.105 927 2HG PRO 126 1HG PRO 126 4.686 -16.593 -8.757 928 1HD PRO 126 2HD PRO 126 4.134 -14.555 -7.120 929 2HD PRO 126 1HD PRO 126 3.752 -14.469 -8.854 930 H GLU 127 H GLU 127 1.497 -15.600 -5.575 931 HA GLU 127 HA GLU 127 0.686 -17.992 -4.324 932 1HB GLU 127 2HB GLU 127 0.431 -15.139 -3.344 933 2HB GLU 127 1HB GLU 127 0.327 -16.579 -2.343 934 1HG GLU 127 2HG GLU 127 2.756 -15.739 -3.903 935 2HG GLU 127 1HG GLU 127 2.498 -15.441 -2.184 936 H ILE 128 H ILE 128 -1.035 -15.184 -5.537 937 HA ILE 128 HA ILE 128 -3.592 -16.325 -4.685 938 HB ILE 128 HB ILE 128 -3.003 -13.612 -5.897 939 1HG1 ILE 128 2HG1 ILE 128 -3.863 -12.896 -3.546 940 2HG1 ILE 128 1HG1 ILE 128 -3.465 -14.541 -3.073 941 1HG2 ILE 128 1HG2 ILE 128 -5.331 -13.066 -5.322 942 2HG2 ILE 128 2HG2 ILE 128 -5.588 -14.741 -4.834 943 3HG2 ILE 128 3HG2 ILE 128 -5.218 -14.360 -6.516 944 1HD1 ILE 128 1HD1 ILE 128 -1.144 -14.167 -3.742 945 2HD1 ILE 128 2HD1 ILE 128 -1.671 -13.012 -2.517 946 3HD1 ILE 128 3HD1 ILE 128 -1.550 -12.515 -4.205 947 H LYS 129 H LYS 129 -3.896 -17.966 -6.134 948 HA LYS 129 HA LYS 129 -3.567 -17.453 -8.951 949 1HB LYS 129 2HB LYS 129 -2.930 -19.658 -8.073 950 2HB LYS 129 1HB LYS 129 -4.587 -19.934 -7.557 951 1HG LYS 129 2HG LYS 129 -4.322 -21.146 -9.556 952 2HG LYS 129 1HG LYS 129 -5.252 -19.716 -9.990 953 1HD LYS 129 2HD LYS 129 -2.273 -19.691 -10.264 954 2HD LYS 129 1HD LYS 129 -3.254 -20.502 -11.482 955 1HE LYS 129 2HE LYS 129 -3.589 -17.620 -10.652 956 2HE LYS 129 1HE LYS 129 -2.672 -18.157 -12.052 957 1HZ LYS 129 1HZ LYS 129 -4.849 -17.487 -12.738 958 2HZ LYS 129 2HZ LYS 129 -5.593 -18.501 -11.612 959 3HZ LYS 129 3HZ LYS 129 -4.730 -19.168 -12.913 960 H HIS 130 H HIS 130 -5.071 -15.831 -9.216 961 HA HIS 130 HA HIS 130 -7.866 -16.517 -8.860 962 1HB HIS 130 2HB HIS 130 -8.307 -14.186 -9.520 963 2HB HIS 130 1HB HIS 130 -7.162 -14.287 -8.189 964 HD1 HIS 130 1HD HIS 130 -7.602 -12.854 -11.523 965 HD2 HIS 130 2HD HIS 130 -4.409 -13.765 -9.020 966 HE1 HIS 130 1HE HIS 130 -5.652 -11.526 -12.399 967 HE2 HIS 130 2HE HIS 130 -3.686 -12.280 -11.014 Start of MODEL 17 1 1H MET 1 1HT MET 1 -24.542 -7.605 1.072 2 2H MET 1 2HT MET 1 -25.222 -6.483 2.145 3 3H MET 1 3HT MET 1 -23.922 -7.443 2.647 4 HA MET 1 HA MET 1 -23.874 -5.320 0.586 5 1HB MET 1 2HB MET 1 -23.887 -4.526 2.928 6 2HB MET 1 1HB MET 1 -22.492 -5.537 3.274 7 1HG MET 1 2HG MET 1 -21.161 -4.247 1.685 8 2HG MET 1 1HG MET 1 -22.558 -3.236 1.333 9 1HE MET 1 1HE MET 1 -23.083 -1.306 4.672 10 2HE MET 1 2HE MET 1 -23.896 -2.779 4.143 11 3HE MET 1 3HE MET 1 -23.584 -1.483 2.992 12 H SER 2 H SER 2 -21.677 -4.879 -0.204 13 HA SER 2 HA SER 2 -20.504 -7.421 -1.003 14 1HB SER 2 2HB SER 2 -19.965 -4.639 -2.075 15 2HB SER 2 1HB SER 2 -19.498 -6.165 -2.822 16 HG SER 2 HG SER 2 -22.193 -5.913 -2.267 17 H ILE 3 H ILE 3 -19.028 -8.092 0.467 18 HA ILE 3 HA ILE 3 -17.585 -6.238 2.072 19 HB ILE 3 HB ILE 3 -17.079 -9.195 1.847 20 1HG1 ILE 3 2HG1 ILE 3 -19.174 -7.600 3.310 21 2HG1 ILE 3 1HG1 ILE 3 -19.389 -8.996 2.262 22 1HG2 ILE 3 1HG2 ILE 3 -16.597 -7.231 4.086 23 2HG2 ILE 3 2HG2 ILE 3 -15.360 -7.943 3.049 24 3HG2 ILE 3 3HG2 ILE 3 -16.286 -8.967 4.145 25 1HD1 ILE 3 1HD1 ILE 3 -18.124 -9.047 4.984 26 2HD1 ILE 3 2HD1 ILE 3 -18.390 -10.435 3.926 27 3HD1 ILE 3 3HD1 ILE 3 -19.768 -9.552 4.586 28 H PHE 4 H PHE 4 -16.876 -7.903 -0.887 29 HA PHE 4 HA PHE 4 -14.080 -7.520 -0.871 30 1HB PHE 4 2HB PHE 4 -14.268 -7.634 -3.380 31 2HB PHE 4 1HB PHE 4 -14.976 -8.994 -2.523 32 HD1 PHE 4 1HD PHE 4 -15.722 -5.923 -4.413 33 HD2 PHE 4 2HD PHE 4 -17.280 -9.493 -2.701 34 HE1 PHE 4 1HE PHE 4 -17.819 -5.599 -5.656 35 HE2 PHE 4 2HE PHE 4 -19.382 -9.174 -3.937 36 HZ PHE 4 HZ PHE 4 -19.653 -7.226 -5.418 37 H GLY 5 H GLY 5 -16.714 -5.352 -1.226 38 1HA GLY 5 2HA GLY 5 -14.998 -3.214 -2.239 39 2HA GLY 5 1HA GLY 5 -16.740 -3.124 -2.012 40 H LYS 6 H LYS 6 -15.962 -4.519 0.713 41 HA LYS 6 HA LYS 6 -15.906 -2.033 2.195 42 1HB LYS 6 2HB LYS 6 -15.902 -4.873 3.247 43 2HB LYS 6 1HB LYS 6 -16.256 -3.417 4.165 44 1HG LYS 6 2HG LYS 6 -18.305 -3.081 2.982 45 2HG LYS 6 1HG LYS 6 -17.914 -4.364 1.838 46 1HD LYS 6 2HD LYS 6 -19.276 -5.560 3.207 47 2HD LYS 6 1HD LYS 6 -17.772 -5.778 4.098 48 1HE LYS 6 2HE LYS 6 -18.382 -3.857 5.522 49 2HE LYS 6 1HE LYS 6 -19.916 -3.737 4.656 50 1HZ LYS 6 1HZ LYS 6 -20.333 -4.946 6.625 51 2HZ LYS 6 2HZ LYS 6 -18.987 -5.947 6.406 52 3HZ LYS 6 3HZ LYS 6 -20.330 -6.103 5.377 53 H ILE 7 H ILE 7 -13.874 -4.886 1.721 54 HA ILE 7 HA ILE 7 -11.865 -4.064 3.575 55 HB ILE 7 HB ILE 7 -10.521 -5.918 2.650 56 1HG1 ILE 7 2HG1 ILE 7 -12.881 -6.409 0.820 57 2HG1 ILE 7 1HG1 ILE 7 -11.369 -5.675 0.296 58 1HG2 ILE 7 1HG2 ILE 7 -13.393 -6.586 3.265 59 2HG2 ILE 7 2HG2 ILE 7 -12.091 -6.357 4.434 60 3HG2 ILE 7 3HG2 ILE 7 -12.049 -7.725 3.321 61 1HD1 ILE 7 1HD1 ILE 7 -11.425 -8.016 -0.288 62 2HD1 ILE 7 2HD1 ILE 7 -11.709 -8.456 1.397 63 3HD1 ILE 7 3HD1 ILE 7 -10.177 -7.721 0.921 64 H MET 8 H MET 8 -12.429 -3.505 0.196 65 HA MET 8 HA MET 8 -9.758 -3.051 -0.590 66 1HB MET 8 2HB MET 8 -10.644 -2.110 -2.619 67 2HB MET 8 1HB MET 8 -11.594 -3.519 -2.185 68 1HG MET 8 2HG MET 8 -13.211 -2.035 -2.843 69 2HG MET 8 1HG MET 8 -13.194 -1.793 -1.098 70 1HE MET 8 1HE MET 8 -12.143 -0.381 -4.588 71 2HE MET 8 2HE MET 8 -10.581 -0.521 -3.778 72 3HE MET 8 3HE MET 8 -11.243 1.071 -4.146 73 H SER 9 H SER 9 -11.910 -1.173 1.249 74 HA SER 9 HA SER 9 -11.179 1.440 0.641 75 1HB SER 9 2HB SER 9 -11.846 0.433 3.410 76 2HB SER 9 1HB SER 9 -12.156 2.033 2.738 77 HG SER 9 HG SER 9 -13.593 -0.303 2.481 78 H ALA 10 H ALA 10 -9.597 -0.940 2.701 79 HA ALA 10 HA ALA 10 -7.691 1.064 3.631 80 1HB ALA 10 1HB ALA 10 -8.658 -0.433 5.279 81 2HB ALA 10 2HB ALA 10 -6.915 -0.684 5.160 82 3HB ALA 10 3HB ALA 10 -8.026 -1.829 4.406 83 H ILE 11 H ILE 11 -7.964 -1.080 1.087 84 HA ILE 11 HA ILE 11 -5.082 -1.595 0.932 85 HB ILE 11 HB ILE 11 -7.309 -2.669 -0.810 86 1HG1 ILE 11 2HG1 ILE 11 -5.764 -4.026 1.414 87 2HG1 ILE 11 1HG1 ILE 11 -7.434 -3.477 1.530 88 1HG2 ILE 11 1HG2 ILE 11 -5.601 -4.268 -1.587 89 2HG2 ILE 11 2HG2 ILE 11 -4.385 -3.405 -0.643 90 3HG2 ILE 11 3HG2 ILE 11 -5.192 -2.599 -1.990 91 1HD1 ILE 11 1HD1 ILE 11 -7.319 -5.865 1.147 92 2HD1 ILE 11 2HD1 ILE 11 -6.390 -5.602 -0.329 93 3HD1 ILE 11 3HD1 ILE 11 -8.063 -5.050 -0.228 94 H PHE 12 H PHE 12 -7.745 -0.348 -1.074 95 HA PHE 12 HA PHE 12 -5.784 0.804 -2.913 96 1HB PHE 12 2HB PHE 12 -8.788 0.518 -3.157 97 2HB PHE 12 1HB PHE 12 -7.732 1.183 -4.398 98 HD1 PHE 12 1HD PHE 12 -8.772 -1.865 -2.649 99 HD2 PHE 12 2HD PHE 12 -6.320 -0.240 -5.724 100 HE1 PHE 12 1HE PHE 12 -8.392 -4.128 -3.537 101 HE2 PHE 12 2HE PHE 12 -5.933 -2.497 -6.616 102 HZ PHE 12 HZ PHE 12 -6.968 -4.445 -5.523 103 H GLY 13 H GLY 13 -7.104 1.727 -0.154 104 1HA GLY 13 2HA GLY 13 -7.539 4.510 -1.031 105 2HA GLY 13 1HA GLY 13 -8.225 3.809 0.430 106 H ASP 14 H ASP 14 -5.006 2.953 -0.337 107 HA ASP 14 HA ASP 14 -4.079 4.519 1.951 108 1HB ASP 14 2HB ASP 14 -3.522 2.203 2.174 109 2HB ASP 14 1HB ASP 14 -2.883 2.133 0.531 110 H SER 15 H SER 15 -2.489 5.975 1.840 111 HA SER 15 HA SER 15 -0.757 6.143 -0.462 112 1HB SER 15 2HB SER 15 -2.501 8.488 0.353 113 2HB SER 15 1HB SER 15 -1.186 8.559 -0.820 114 HG SER 15 HG SER 15 -2.924 6.547 -1.383 115 H ALA 16 H ALA 16 -0.931 5.795 2.664 116 HA ALA 16 HA ALA 16 1.535 7.013 3.324 117 1HB ALA 16 1HB ALA 16 -0.869 8.466 4.418 118 2HB ALA 16 2HB ALA 16 0.242 9.084 3.194 119 3HB ALA 16 3HB ALA 16 0.816 8.776 4.832 120 H ALA 17 H ALA 17 -0.410 4.602 3.833 121 HA ALA 17 HA ALA 17 0.358 4.312 6.649 122 1HB ALA 17 1HB ALA 17 -1.839 3.435 7.243 123 2HB ALA 17 2HB ALA 17 -2.420 3.761 5.610 124 3HB ALA 17 3HB ALA 17 -1.957 5.097 6.665 125 H ALA 18 H ALA 18 1.746 2.683 6.505 126 HA ALA 18 HA ALA 18 2.557 0.569 6.307 127 1HB ALA 18 1HB ALA 18 -0.271 -0.198 5.597 128 2HB ALA 18 2HB ALA 18 0.397 -0.129 7.228 129 3HB ALA 18 3HB ALA 18 1.022 -1.302 6.068 130 H SER 19 H SER 19 2.292 2.442 4.004 131 HA SER 19 HA SER 19 1.899 0.980 1.624 132 1HB SER 19 2HB SER 19 3.671 3.407 1.899 133 2HB SER 19 1HB SER 19 2.708 2.910 0.505 134 HG SER 19 HG SER 19 0.821 3.258 1.890 135 HA PRO 20 HA PRO 20 5.568 -1.430 1.178 136 1HB PRO 20 2HB PRO 20 6.033 -1.060 -1.525 137 2HB PRO 20 1HB PRO 20 4.897 -2.229 -0.846 138 1HG PRO 20 2HG PRO 20 4.382 0.495 -1.958 139 2HG PRO 20 1HG PRO 20 3.429 -0.990 -2.138 140 1HD PRO 20 2HD PRO 20 2.687 0.949 -0.444 141 2HD PRO 20 1HD PRO 20 2.457 -0.766 -0.041 142 H GLY 21 H GLY 21 7.686 -1.103 1.465 143 1HA GLY 21 2HA GLY 21 9.800 -0.167 1.011 144 2HA GLY 21 1HA GLY 21 9.004 1.183 0.215 145 H GLY 22 H GLY 22 9.076 3.034 1.263 146 1HA GLY 22 2HA GLY 22 9.129 4.577 2.961 147 2HA GLY 22 1HA GLY 22 8.496 3.324 4.018 148 H ALA 23 H ALA 23 11.554 3.785 2.252 149 HA ALA 23 HA ALA 23 13.053 2.823 4.526 150 1HB ALA 23 1HB ALA 23 13.726 2.220 2.244 151 2HB ALA 23 2HB ALA 23 15.009 3.081 3.094 152 3HB ALA 23 3HB ALA 23 14.032 3.920 1.888 153 H GLN 24 H GLN 24 13.384 4.144 6.191 154 HA GLN 24 HA GLN 24 14.067 6.950 5.622 155 1HB GLN 24 2HB GLN 24 12.413 5.904 7.928 156 2HB GLN 24 1HB GLN 24 12.948 7.569 7.744 157 1HG GLN 24 2HG GLN 24 11.633 7.814 5.739 158 2HG GLN 24 1HG GLN 24 11.158 6.118 5.809 159 1HE2 GLN 24 1HE2 GLN 24 9.509 8.529 5.833 160 2HE2 GLN 24 2HE2 GLN 24 8.578 8.462 7.293 161 H ALA 25 H ALA 25 16.234 6.897 5.896 162 HA ALA 25 HA ALA 25 17.544 5.328 7.877 163 1HB ALA 25 1HB ALA 25 18.570 7.680 6.288 164 2HB ALA 25 2HB ALA 25 18.648 5.987 5.798 165 3HB ALA 25 3HB ALA 25 19.561 6.542 7.201 166 HA PRO 26 HA PRO 26 17.128 8.007 11.425 167 1HB PRO 26 2HB PRO 26 19.586 6.679 12.366 168 2HB PRO 26 1HB PRO 26 17.979 6.716 13.100 169 1HG PRO 26 2HG PRO 26 18.948 4.489 11.953 170 2HG PRO 26 1HG PRO 26 17.228 4.912 11.869 171 1HD PRO 26 2HD PRO 26 19.357 5.217 9.788 172 2HD PRO 26 1HD PRO 26 17.667 4.698 9.609 173 H ALA 27 H ALA 27 17.695 10.058 11.113 174 HA ALA 27 HA ALA 27 20.254 10.753 9.973 175 1HB ALA 27 1HB ALA 27 19.371 13.025 9.871 176 2HB ALA 27 2HB ALA 27 17.973 12.535 10.830 177 3HB ALA 27 3HB ALA 27 18.208 11.874 9.211 178 H THR 28 H THR 28 21.992 11.091 11.140 179 HA THR 28 HA THR 28 21.839 11.746 13.960 180 HB THR 28 HB THR 28 24.335 11.569 12.271 181 HG1 THR 28 1HG THR 28 22.776 9.479 13.443 182 1HG2 THR 28 1HG2 THR 28 24.615 12.434 14.552 183 2HG2 THR 28 2HG2 THR 28 25.370 10.849 14.378 184 3HG2 THR 28 3HG2 THR 28 23.816 10.999 15.197 185 H THR 29 H THR 29 23.223 13.603 14.775 186 HA THR 29 HA THR 29 22.441 16.013 13.511 187 HB THR 29 HB THR 29 24.127 16.977 15.267 188 HG1 THR 29 1HG THR 29 25.234 15.189 15.900 189 1HG2 THR 29 1HG2 THR 29 21.661 15.463 16.126 190 2HG2 THR 29 2HG2 THR 29 21.676 17.088 15.440 191 3HG2 THR 29 3HG2 THR 29 22.429 16.786 17.007 192 H GLY 30 H GLY 30 23.339 15.912 11.411 193 1HA GLY 30 2HA GLY 30 26.242 16.035 11.154 194 2HA GLY 30 1HA GLY 30 25.074 16.043 9.838 195 H ALA 31 H ALA 31 26.657 17.974 12.280 196 HA ALA 31 HA ALA 31 25.401 20.435 11.661 197 1HB ALA 31 1HB ALA 31 27.181 21.460 12.982 198 2HB ALA 31 2HB ALA 31 28.069 19.937 12.978 199 3HB ALA 31 3HB ALA 31 26.512 20.047 13.799 200 H ALA 32 H ALA 32 25.443 20.645 9.444 201 HA ALA 32 HA ALA 32 27.537 22.132 8.317 202 1HB ALA 32 1HB ALA 32 27.399 19.280 7.327 203 2HB ALA 32 2HB ALA 32 28.737 20.006 8.220 204 3HB ALA 32 3HB ALA 32 28.343 20.580 6.599 205 H GLY 33 H GLY 33 24.769 20.044 7.916 206 1HA GLY 33 2HA GLY 33 22.759 20.978 6.914 207 2HA GLY 33 1HA GLY 33 23.794 21.816 5.767 208 H THR 34 H THR 34 23.998 18.454 6.827 209 HA THR 34 HA THR 34 24.109 17.611 4.059 210 HB THR 34 HB THR 34 24.294 15.884 6.532 211 HG1 THR 34 1HG THR 34 26.506 16.912 5.081 212 1HG2 THR 34 1HG2 THR 34 23.917 14.660 4.448 213 2HG2 THR 34 2HG2 THR 34 25.556 14.383 5.040 214 3HG2 THR 34 3HG2 THR 34 25.278 15.495 3.700 215 H ALA 35 H ALA 35 22.388 16.987 2.970 216 HA ALA 35 HA ALA 35 20.266 15.496 4.334 217 1HB ALA 35 1HB ALA 35 19.762 17.776 2.417 218 2HB ALA 35 2HB ALA 35 19.484 17.813 4.159 219 3HB ALA 35 3HB ALA 35 18.535 16.734 3.137 220 HA PRO 36 HA PRO 36 20.945 12.814 0.857 221 1HB PRO 36 2HB PRO 36 18.282 11.709 1.418 222 2HB PRO 36 1HB PRO 36 19.860 10.923 1.501 223 1HG PRO 36 2HG PRO 36 18.440 11.524 3.712 224 2HG PRO 36 1HG PRO 36 20.212 11.562 3.685 225 1HD PRO 36 2HD PRO 36 18.265 13.830 3.535 226 2HD PRO 36 1HD PRO 36 19.807 13.726 4.409 227 H THR 37 H THR 37 20.776 14.318 -0.830 228 HA THR 37 HA THR 37 18.172 15.133 -1.780 229 HB THR 37 HB THR 37 19.898 16.793 -1.905 230 HG1 THR 37 1HG THR 37 19.220 15.746 -4.466 231 1HG2 THR 37 1HG2 THR 37 21.914 16.520 -3.282 232 2HG2 THR 37 2HG2 THR 37 21.456 14.850 -3.613 233 3HG2 THR 37 3HG2 THR 37 21.858 15.345 -1.968 234 H ALA 38 H ALA 38 17.937 12.576 -1.899 235 HA ALA 38 HA ALA 38 18.663 11.692 -4.609 236 1HB ALA 38 1HB ALA 38 17.801 10.042 -2.234 237 2HB ALA 38 2HB ALA 38 19.453 10.232 -2.823 238 3HB ALA 38 3HB ALA 38 18.250 9.416 -3.822 239 HA PRO 39 HA PRO 39 14.260 12.525 -5.206 240 1HB PRO 39 2HB PRO 39 14.886 12.514 -8.043 241 2HB PRO 39 1HB PRO 39 14.328 13.850 -7.036 242 1HG PRO 39 2HG PRO 39 16.831 13.730 -8.093 243 2HG PRO 39 1HG PRO 39 16.456 14.564 -6.574 244 1HD PRO 39 2HD PRO 39 17.655 11.852 -7.004 245 2HD PRO 39 1HD PRO 39 18.085 13.099 -5.811 246 H GLN 40 H GLN 40 13.644 10.425 -4.577 247 HA GLN 40 HA GLN 40 13.712 8.338 -6.609 248 1HB GLN 40 2HB GLN 40 12.666 8.346 -3.770 249 2HB GLN 40 1HB GLN 40 12.608 6.953 -4.841 250 1HG GLN 40 2HG GLN 40 15.026 6.899 -4.953 251 2HG GLN 40 1HG GLN 40 15.127 8.349 -3.958 252 1HE2 GLN 40 1HE2 GLN 40 16.232 5.688 -3.510 253 2HE2 GLN 40 2HE2 GLN 40 15.588 5.156 -1.994 254 HA PRO 41 HA PRO 41 9.870 9.713 -8.291 255 1HB PRO 41 2HB PRO 41 9.626 6.954 -9.320 256 2HB PRO 41 1HB PRO 41 9.685 8.484 -10.201 257 1HG PRO 41 2HG PRO 41 11.762 6.797 -10.213 258 2HG PRO 41 1HG PRO 41 11.994 8.555 -10.189 259 1HD PRO 41 2HD PRO 41 12.207 6.584 -7.945 260 2HD PRO 41 1HD PRO 41 13.239 7.980 -8.320 261 H THR 42 H THR 42 8.483 9.958 -6.576 262 HA THR 42 HA THR 42 7.272 7.691 -5.292 263 HB THR 42 HB THR 42 5.816 9.457 -4.204 264 HG1 THR 42 1HG THR 42 5.860 11.369 -5.097 265 1HG2 THR 42 1HG2 THR 42 7.638 10.326 -2.796 266 2HG2 THR 42 2HG2 THR 42 8.811 9.774 -3.991 267 3HG2 THR 42 3HG2 THR 42 7.825 8.602 -3.118 268 H ALA 43 H ALA 43 6.341 6.597 -7.047 269 HA ALA 43 HA ALA 43 3.810 7.773 -7.955 270 1HB ALA 43 1HB ALA 43 5.429 8.027 -9.777 271 2HB ALA 43 2HB ALA 43 4.159 6.879 -10.205 272 3HB ALA 43 3HB ALA 43 5.755 6.294 -9.731 273 H ALA 44 H ALA 44 2.318 6.085 -8.814 274 HA ALA 44 HA ALA 44 2.802 3.387 -7.887 275 1HB ALA 44 1HB ALA 44 0.518 5.006 -6.754 276 2HB ALA 44 2HB ALA 44 1.954 4.491 -5.868 277 3HB ALA 44 3HB ALA 44 0.816 3.290 -6.477 278 HA PRO 45 HA PRO 45 0.199 3.521 -11.653 279 1HB PRO 45 2HB PRO 45 1.654 1.823 -13.121 280 2HB PRO 45 1HB PRO 45 2.144 3.507 -12.925 281 1HG PRO 45 2HG PRO 45 3.167 1.059 -11.542 282 2HG PRO 45 1HG PRO 45 4.072 2.444 -12.179 283 1HD PRO 45 2HD PRO 45 3.391 2.113 -9.532 284 2HD PRO 45 1HD PRO 45 3.728 3.681 -10.290 285 H SER 46 H SER 46 1.034 1.316 -9.304 286 HA SER 46 HA SER 46 -1.300 -0.298 -9.849 287 1HB SER 46 2HB SER 46 1.447 -1.559 -9.569 288 2HB SER 46 1HB SER 46 -0.080 -2.436 -9.639 289 HG SER 46 HG SER 46 0.127 -0.749 -11.731 290 H ILE 47 H ILE 47 -2.120 -1.221 -7.948 291 HA ILE 47 HA ILE 47 -1.029 -0.111 -5.492 292 HB ILE 47 HB ILE 47 -3.541 -1.682 -6.069 293 1HG1 ILE 47 2HG1 ILE 47 -3.559 0.630 -6.859 294 2HG1 ILE 47 1HG1 ILE 47 -4.671 0.434 -5.509 295 1HG2 ILE 47 1HG2 ILE 47 -2.783 -2.278 -3.848 296 2HG2 ILE 47 2HG2 ILE 47 -4.211 -1.246 -3.748 297 3HG2 ILE 47 3HG2 ILE 47 -2.612 -0.574 -3.425 298 1HD1 ILE 47 1HD1 ILE 47 -3.455 2.511 -5.323 299 2HD1 ILE 47 2HD1 ILE 47 -1.919 1.647 -5.388 300 3HD1 ILE 47 3HD1 ILE 47 -3.001 1.421 -4.014 301 H ASP 48 H ASP 48 0.544 -1.188 -4.499 302 HA ASP 48 HA ASP 48 0.979 -3.991 -5.006 303 1HB ASP 48 2HB ASP 48 2.810 -2.231 -4.703 304 2HB ASP 48 1HB ASP 48 2.443 -2.298 -2.983 305 H VAL 49 H VAL 49 -0.553 -5.240 -4.109 306 HA VAL 49 HA VAL 49 -1.719 -4.582 -1.548 307 HB VAL 49 HB VAL 49 -2.200 -7.027 -3.264 308 1HG1 VAL 49 1HG1 VAL 49 -3.867 -5.740 -1.108 309 2HG1 VAL 49 2HG1 VAL 49 -3.023 -7.285 -1.003 310 3HG1 VAL 49 3HG1 VAL 49 -4.375 -7.092 -2.120 311 1HG2 VAL 49 1HG2 VAL 49 -3.686 -4.406 -3.279 312 2HG2 VAL 49 2HG2 VAL 49 -4.085 -5.840 -4.225 313 3HG2 VAL 49 3HG2 VAL 49 -2.585 -4.968 -4.537 314 H ALA 50 H ALA 50 0.736 -6.684 -2.742 315 HA ALA 50 HA ALA 50 0.651 -8.809 -0.969 316 1HB ALA 50 1HB ALA 50 2.982 -9.210 -1.526 317 2HB ALA 50 2HB ALA 50 3.117 -7.583 -2.195 318 3HB ALA 50 3HB ALA 50 2.059 -8.766 -2.964 319 HA PRO 51 HA PRO 51 3.746 -6.614 2.031 320 1HB PRO 51 2HB PRO 51 3.903 -3.886 1.899 321 2HB PRO 51 1HB PRO 51 5.022 -4.972 1.067 322 1HG PRO 51 2HG PRO 51 2.631 -3.531 -0.001 323 2HG PRO 51 1HG PRO 51 4.221 -3.770 -0.748 324 1HD PRO 51 2HD PRO 51 2.075 -5.244 -1.441 325 2HD PRO 51 1HD PRO 51 3.717 -5.917 -1.429 326 H ILE 52 H ILE 52 0.929 -4.740 1.024 327 HA ILE 52 HA ILE 52 0.273 -3.607 3.497 328 HB ILE 52 HB ILE 52 -1.587 -4.401 1.245 329 1HG1 ILE 52 2HG1 ILE 52 -0.264 -1.752 1.885 330 2HG1 ILE 52 1HG1 ILE 52 0.176 -2.817 0.557 331 1HG2 ILE 52 1HG2 ILE 52 -2.023 -2.533 3.574 332 2HG2 ILE 52 2HG2 ILE 52 -2.828 -4.078 3.300 333 3HG2 ILE 52 3HG2 ILE 52 -3.121 -2.726 2.206 334 1HD1 ILE 52 1HD1 ILE 52 -1.177 -0.946 -0.212 335 2HD1 ILE 52 2HD1 ILE 52 -2.472 -1.424 0.886 336 3HD1 ILE 52 3HD1 ILE 52 -2.018 -2.478 -0.453 337 H LEU 53 H LEU 53 -1.006 -6.581 1.956 338 HA LEU 53 HA LEU 53 -2.619 -7.151 4.248 339 1HB LEU 53 2HB LEU 53 -1.977 -8.779 1.797 340 2HB LEU 53 1HB LEU 53 -3.064 -9.319 3.063 341 HG LEU 53 HG LEU 53 -3.443 -6.984 1.194 342 1HD1 LEU 53 1HD1 LEU 53 -4.018 -9.169 0.287 343 2HD1 LEU 53 2HD1 LEU 53 -5.467 -8.199 0.563 344 3HD1 LEU 53 3HD1 LEU 53 -5.041 -9.489 1.689 345 1HD2 LEU 53 1HD2 LEU 53 -5.115 -7.779 3.571 346 2HD2 LEU 53 2HD2 LEU 53 -5.531 -6.544 2.383 347 3HD2 LEU 53 3HD2 LEU 53 -4.133 -6.321 3.437 348 H ASP 54 H ASP 54 0.437 -8.458 2.976 349 HA ASP 54 HA ASP 54 0.599 -10.664 4.706 350 1HB ASP 54 2HB ASP 54 2.050 -10.338 2.709 351 2HB ASP 54 1HB ASP 54 2.928 -9.087 3.586 352 H LYS 55 H LYS 55 1.719 -7.328 5.130 353 HA LYS 55 HA LYS 55 2.858 -7.851 7.702 354 1HB LYS 55 2HB LYS 55 2.400 -5.435 6.034 355 2HB LYS 55 1HB LYS 55 2.550 -5.189 7.765 356 1HG LYS 55 2HG LYS 55 4.727 -4.970 7.213 357 2HG LYS 55 1HG LYS 55 4.690 -6.721 7.405 358 1HD LYS 55 2HD LYS 55 4.228 -5.393 4.745 359 2HD LYS 55 1HD LYS 55 5.845 -5.786 5.324 360 1HE LYS 55 2HE LYS 55 3.606 -7.775 5.017 361 2HE LYS 55 1HE LYS 55 4.858 -7.493 3.811 362 1HZ LYS 55 1HZ LYS 55 5.541 -8.235 6.588 363 2HZ LYS 55 2HZ LYS 55 6.488 -8.374 5.188 364 3HZ LYS 55 3HZ LYS 55 5.162 -9.413 5.425 365 H ALA 56 H ALA 56 -0.222 -6.548 6.536 366 HA ALA 56 HA ALA 56 -1.230 -5.764 9.051 367 1HB ALA 56 1HB ALA 56 -2.726 -6.592 6.569 368 2HB ALA 56 2HB ALA 56 -2.205 -4.958 6.987 369 3HB ALA 56 3HB ALA 56 -3.431 -5.771 7.963 370 H VAL 57 H VAL 57 -1.035 -8.848 7.475 371 HA VAL 57 HA VAL 57 -2.979 -10.270 8.925 372 HB VAL 57 HB VAL 57 -0.434 -11.076 7.534 373 1HG1 VAL 57 1HG1 VAL 57 -1.036 -13.436 7.912 374 2HG1 VAL 57 2HG1 VAL 57 -2.305 -12.911 9.021 375 3HG1 VAL 57 3HG1 VAL 57 -0.613 -12.599 9.408 376 1HG2 VAL 57 1HG2 VAL 57 -3.356 -11.618 7.022 377 2HG2 VAL 57 2HG2 VAL 57 -2.026 -12.259 6.057 378 3HG2 VAL 57 3HG2 VAL 57 -2.312 -10.520 6.122 379 H LYS 58 H LYS 58 0.424 -9.670 9.517 380 HA LYS 58 HA LYS 58 0.473 -11.248 11.924 381 1HB LYS 58 2HB LYS 58 2.603 -9.356 10.934 382 2HB LYS 58 1HB LYS 58 2.804 -10.792 11.936 383 1HG LYS 58 2HG LYS 58 2.258 -12.229 10.102 384 2HG LYS 58 1HG LYS 58 1.824 -10.854 9.090 385 1HD LYS 58 2HD LYS 58 3.944 -11.445 8.351 386 2HD LYS 58 1HD LYS 58 4.247 -10.093 9.443 387 1HE LYS 58 2HE LYS 58 4.847 -11.632 11.220 388 2HE LYS 58 1HE LYS 58 4.461 -13.009 10.188 389 1HZ LYS 58 1HZ LYS 58 6.685 -11.075 9.893 390 2HZ LYS 58 2HZ LYS 58 6.211 -12.107 8.636 391 3HZ LYS 58 3HZ LYS 58 6.781 -12.759 10.099 392 H ALA 59 H ALA 59 -0.182 -8.013 11.044 393 HA ALA 59 HA ALA 59 0.263 -6.884 13.660 394 1HB ALA 59 1HB ALA 59 -0.769 -4.868 12.724 395 2HB ALA 59 2HB ALA 59 -1.194 -5.765 11.265 396 3HB ALA 59 3HB ALA 59 0.500 -5.492 11.671 397 H LYS 60 H LYS 60 -2.378 -8.265 11.833 398 HA LYS 60 HA LYS 60 -4.500 -7.486 13.527 399 1HB LYS 60 2HB LYS 60 -4.780 -8.388 11.207 400 2HB LYS 60 1HB LYS 60 -4.312 -9.973 11.809 401 1HG LYS 60 2HG LYS 60 -6.690 -9.892 11.634 402 2HG LYS 60 1HG LYS 60 -6.260 -9.905 13.344 403 1HD LYS 60 2HD LYS 60 -6.527 -7.444 13.388 404 2HD LYS 60 1HD LYS 60 -7.058 -7.500 11.705 405 1HE LYS 60 2HE LYS 60 -8.943 -8.916 12.350 406 2HE LYS 60 1HE LYS 60 -8.411 -8.867 14.031 407 1HZ LYS 60 1HZ LYS 60 -8.812 -6.526 14.109 408 2HZ LYS 60 2HZ LYS 60 -10.210 -7.271 13.499 409 3HZ LYS 60 3HZ LYS 60 -9.158 -6.472 12.452 410 H GLY 61 H GLY 61 -2.618 -10.514 13.341 411 1HA GLY 61 2HA GLY 61 -1.812 -10.947 15.785 412 2HA GLY 61 1HA GLY 61 -3.532 -11.154 16.060 413 H GLU 62 H GLU 62 -4.102 -12.466 13.588 414 HA GLU 62 HA GLU 62 -3.264 -15.134 14.405 415 1HB GLU 62 2HB GLU 62 -5.155 -14.441 12.160 416 2HB GLU 62 1HB GLU 62 -5.055 -15.939 13.073 417 1HG GLU 62 2HG GLU 62 -5.940 -14.866 15.026 418 2HG GLU 62 1HG GLU 62 -5.919 -13.302 14.212 419 H LYS 63 H LYS 63 -2.547 -16.718 12.761 420 HA LYS 63 HA LYS 63 -0.908 -15.512 10.698 421 1HB LYS 63 2HB LYS 63 -0.443 -17.731 12.072 422 2HB LYS 63 1HB LYS 63 -1.419 -18.464 10.809 423 1HG LYS 63 2HG LYS 63 1.136 -16.909 10.410 424 2HG LYS 63 1HG LYS 63 0.950 -18.657 10.303 425 1HD LYS 63 2HD LYS 63 0.495 -18.443 8.135 426 2HD LYS 63 1HD LYS 63 -0.950 -17.516 8.545 427 1HE LYS 63 2HE LYS 63 0.416 -15.468 8.614 428 2HE LYS 63 1HE LYS 63 1.829 -16.410 8.136 429 1HZ LYS 63 1HZ LYS 63 0.544 -17.025 6.087 430 2HZ LYS 63 2HZ LYS 63 0.965 -15.386 6.199 431 3HZ LYS 63 3HZ LYS 63 -0.619 -15.876 6.544 432 H LEU 64 H LEU 64 -2.801 -14.469 9.819 433 HA LEU 64 HA LEU 64 -4.808 -15.934 8.442 434 1HB LEU 64 2HB LEU 64 -3.873 -13.129 7.865 435 2HB LEU 64 1HB LEU 64 -5.458 -13.811 7.549 436 HG LEU 64 HG LEU 64 -4.367 -13.513 10.334 437 1HD1 LEU 64 1HD1 LEU 64 -6.088 -11.566 8.813 438 2HD1 LEU 64 2HD1 LEU 64 -4.412 -11.308 9.296 439 3HD1 LEU 64 3HD1 LEU 64 -5.669 -11.464 10.523 440 1HD2 LEU 64 1HD2 LEU 64 -6.210 -15.072 10.039 441 2HD2 LEU 64 2HD2 LEU 64 -7.157 -13.811 9.248 442 3HD2 LEU 64 3HD2 LEU 64 -6.717 -13.650 10.948 443 H GLU 65 H GLU 65 -4.971 -16.413 6.243 444 HA GLU 65 HA GLU 65 -2.523 -15.956 4.693 445 1HB GLU 65 2HB GLU 65 -2.831 -18.346 5.613 446 2HB GLU 65 1HB GLU 65 -4.110 -18.494 4.412 447 1HG GLU 65 2HG GLU 65 -1.909 -19.371 3.672 448 2HG GLU 65 1HG GLU 65 -2.573 -18.114 2.625 449 H TRP 66 H TRP 66 -3.450 -14.241 3.627 450 HA TRP 66 HA TRP 66 -6.016 -14.359 2.417 451 1HB TRP 66 2HB TRP 66 -5.282 -12.244 1.276 452 2HB TRP 66 1HB TRP 66 -5.173 -12.209 3.030 453 HD1 TRP 66 HD TRP 66 -2.676 -12.263 4.099 454 HE1 TRP 66 1HE TRP 66 -0.423 -11.486 3.127 455 HE3 TRP 66 3HE TRP 66 -3.940 -12.081 -0.853 456 HZ2 TRP 66 2HZ TRP 66 0.676 -10.890 0.609 457 HZ3 TRP 66 3HZ TRP 66 -2.224 -11.396 -2.478 458 HH2 TRP 66 HH TRP 66 0.039 -10.813 -1.762 459 H ARG 67 H ARG 67 -3.016 -15.614 1.547 460 HA ARG 67 HA ARG 67 -3.132 -15.425 -1.267 461 1HB ARG 67 2HB ARG 67 -1.724 -17.379 0.555 462 2HB ARG 67 1HB ARG 67 -1.489 -17.324 -1.187 463 1HG ARG 67 2HG ARG 67 -0.512 -15.175 -1.083 464 2HG ARG 67 1HG ARG 67 -1.010 -14.954 0.596 465 1HD ARG 67 2HD ARG 67 0.498 -16.736 1.292 466 2HD ARG 67 1HD ARG 67 0.964 -17.015 -0.385 467 HE ARG 67 HE ARG 67 2.252 -15.082 -0.351 468 1HH1 ARG 67 1HH1 ARG 67 0.500 -15.477 2.677 469 2HH1 ARG 67 2HH1 ARG 67 1.471 -14.308 3.525 470 1HH2 ARG 67 1HH2 ARG 67 3.521 -13.537 0.788 471 2HH2 ARG 67 2HH2 ARG 67 3.154 -13.185 2.460 472 H THR 68 H THR 68 -4.798 -17.467 0.986 473 HA THR 68 HA THR 68 -6.032 -18.850 -1.270 474 HB THR 68 HB THR 68 -4.265 -20.361 -0.554 475 HG1 THR 68 1HG THR 68 -6.968 -21.002 -0.249 476 1HG2 THR 68 1HG2 THR 68 -4.327 -21.409 1.673 477 2HG2 THR 68 2HG2 THR 68 -5.621 -20.307 2.146 478 3HG2 THR 68 3HG2 THR 68 -4.018 -19.676 1.767 479 H SER 69 H SER 69 -6.219 -17.875 2.113 480 HA SER 69 HA SER 69 -8.943 -18.914 2.281 481 1HB SER 69 2HB SER 69 -7.123 -17.752 4.402 482 2HB SER 69 1HB SER 69 -8.757 -18.350 4.695 483 HG SER 69 HG SER 69 -7.076 -19.901 5.125 484 H ILE 70 H ILE 70 -10.612 -17.652 1.916 485 HA ILE 70 HA ILE 70 -10.211 -14.826 1.497 486 HB ILE 70 HB ILE 70 -11.645 -16.177 -0.003 487 1HG1 ILE 70 2HG1 ILE 70 -13.537 -14.567 -0.102 488 2HG1 ILE 70 1HG1 ILE 70 -13.036 -13.930 1.463 489 1HG2 ILE 70 1HG2 ILE 70 -13.919 -16.784 0.736 490 2HG2 ILE 70 2HG2 ILE 70 -13.473 -16.347 2.387 491 3HG2 ILE 70 3HG2 ILE 70 -12.657 -17.684 1.576 492 1HD1 ILE 70 1HD1 ILE 70 -11.426 -13.878 -1.079 493 2HD1 ILE 70 2HD1 ILE 70 -10.885 -13.283 0.489 494 3HD1 ILE 70 3HD1 ILE 70 -12.246 -12.511 -0.323 495 H VAL 71 H VAL 71 -11.597 -16.891 3.936 496 HA VAL 71 HA VAL 71 -13.145 -14.900 5.233 497 HB VAL 71 HB VAL 71 -13.633 -17.289 5.481 498 1HG1 VAL 71 1HG1 VAL 71 -12.258 -18.721 6.898 499 2HG1 VAL 71 2HG1 VAL 71 -11.080 -17.423 7.078 500 3HG1 VAL 71 3HG1 VAL 71 -11.351 -18.152 5.496 501 1HG2 VAL 71 1HG2 VAL 71 -14.439 -15.756 7.192 502 2HG2 VAL 71 2HG2 VAL 71 -12.934 -15.944 8.091 503 3HG2 VAL 71 3HG2 VAL 71 -14.026 -17.316 7.908 504 H ASP 72 H ASP 72 -9.793 -15.832 5.404 505 HA ASP 72 HA ASP 72 -9.375 -14.665 8.000 506 1HB ASP 72 2HB ASP 72 -7.506 -15.842 5.955 507 2HB ASP 72 1HB ASP 72 -6.914 -15.044 7.410 508 H LEU 73 H LEU 73 -8.714 -13.722 4.645 509 HA LEU 73 HA LEU 73 -7.338 -11.343 5.375 510 1HB LEU 73 2HB LEU 73 -7.606 -10.674 3.035 511 2HB LEU 73 1HB LEU 73 -6.982 -12.299 3.195 512 HG LEU 73 HG LEU 73 -9.506 -12.974 2.848 513 1HD1 LEU 73 1HD1 LEU 73 -10.388 -10.701 2.882 514 2HD1 LEU 73 2HD1 LEU 73 -10.665 -11.468 1.317 515 3HD1 LEU 73 3HD1 LEU 73 -9.375 -10.279 1.501 516 1HD2 LEU 73 1HD2 LEU 73 -7.669 -13.610 1.394 517 2HD2 LEU 73 2HD2 LEU 73 -7.699 -12.020 0.629 518 3HD2 LEU 73 3HD2 LEU 73 -9.069 -13.116 0.438 519 H MET 74 H MET 74 -10.666 -12.191 4.996 520 HA MET 74 HA MET 74 -11.783 -9.627 4.789 521 1HB MET 74 2HB MET 74 -13.068 -11.654 4.357 522 2HB MET 74 1HB MET 74 -12.908 -12.139 6.039 523 1HG MET 74 2HG MET 74 -14.258 -10.270 6.745 524 2HG MET 74 1HG MET 74 -14.339 -9.665 5.091 525 1HE MET 74 1HE MET 74 -15.256 -12.744 7.412 526 2HE MET 74 2HE MET 74 -14.471 -13.460 6.003 527 3HE MET 74 3HE MET 74 -16.192 -13.722 6.282 528 H LYS 75 H LYS 75 -11.364 -11.671 7.705 529 HA LYS 75 HA LYS 75 -12.106 -9.529 9.419 530 1HB LYS 75 2HB LYS 75 -11.223 -11.023 11.258 531 2HB LYS 75 1HB LYS 75 -12.543 -11.658 10.292 532 1HG LYS 75 2HG LYS 75 -10.806 -12.920 8.965 533 2HG LYS 75 1HG LYS 75 -9.642 -12.440 10.205 534 1HD LYS 75 2HD LYS 75 -10.903 -13.553 11.912 535 2HD LYS 75 1HD LYS 75 -12.226 -13.883 10.795 536 1HE LYS 75 2HE LYS 75 -11.036 -15.908 11.013 537 2HE LYS 75 1HE LYS 75 -10.574 -15.240 9.447 538 1HZ LYS 75 1HZ LYS 75 -8.993 -15.294 11.952 539 2HZ LYS 75 2HZ LYS 75 -8.603 -14.276 10.666 540 3HZ LYS 75 3HZ LYS 75 -8.593 -15.954 10.436 541 H ALA 76 H ALA 76 -9.143 -10.435 7.937 542 HA ALA 76 HA ALA 76 -7.243 -9.282 9.620 543 1HB ALA 76 1HB ALA 76 -6.683 -10.611 7.632 544 2HB ALA 76 2HB ALA 76 -5.837 -9.063 7.647 545 3HB ALA 76 3HB ALA 76 -7.240 -9.292 6.602 546 H LEU 77 H LEU 77 -8.944 -7.765 6.863 547 HA LEU 77 HA LEU 77 -8.017 -5.139 7.455 548 1HB LEU 77 2HB LEU 77 -10.236 -6.181 5.715 549 2HB LEU 77 1HB LEU 77 -10.007 -4.463 5.960 550 HG LEU 77 HG LEU 77 -8.975 -5.016 3.899 551 1HD1 LEU 77 1HD1 LEU 77 -6.639 -4.433 4.277 552 2HD1 LEU 77 2HD1 LEU 77 -6.822 -4.787 5.994 553 3HD1 LEU 77 3HD1 LEU 77 -7.716 -3.450 5.270 554 1HD2 LEU 77 1HD2 LEU 77 -7.238 -6.727 3.677 555 2HD2 LEU 77 2HD2 LEU 77 -8.785 -7.417 4.171 556 3HD2 LEU 77 3HD2 LEU 77 -7.496 -7.199 5.356 557 H ASP 78 H ASP 78 -10.101 -7.096 9.004 558 HA ASP 78 HA ASP 78 -11.067 -6.806 11.022 559 1HB ASP 78 2HB ASP 78 -9.737 -4.706 11.331 560 2HB ASP 78 1HB ASP 78 -11.085 -3.816 10.624 561 H ILE 79 H ILE 79 -12.529 -7.804 9.428 562 HA ILE 79 HA ILE 79 -15.052 -6.283 9.320 563 HB ILE 79 HB ILE 79 -14.220 -8.770 7.801 564 1HG1 ILE 79 2HG1 ILE 79 -13.161 -6.716 6.973 565 2HG1 ILE 79 1HG1 ILE 79 -14.332 -7.331 5.814 566 1HG2 ILE 79 1HG2 ILE 79 -16.605 -8.856 8.286 567 2HG2 ILE 79 2HG2 ILE 79 -16.334 -8.539 6.572 568 3HG2 ILE 79 3HG2 ILE 79 -16.807 -7.223 7.645 569 1HD1 ILE 79 1HD1 ILE 79 -14.799 -5.063 7.731 570 2HD1 ILE 79 2HD1 ILE 79 -15.947 -5.665 6.535 571 3HD1 ILE 79 3HD1 ILE 79 -14.442 -4.907 6.011 572 H ASP 80 H ASP 80 -16.991 -7.468 10.008 573 HA ASP 80 HA ASP 80 -16.774 -8.568 12.538 574 1HB ASP 80 2HB ASP 80 -18.991 -8.984 10.520 575 2HB ASP 80 1HB ASP 80 -19.110 -9.357 12.236 576 H SER 81 H SER 81 -16.957 -10.203 9.440 577 HA SER 81 HA SER 81 -16.651 -12.309 8.734 578 1HB SER 81 2HB SER 81 -14.821 -13.615 9.804 579 2HB SER 81 1HB SER 81 -14.374 -11.960 9.399 580 HG SER 81 HG SER 81 -15.304 -11.919 11.866 581 H SER 82 H SER 82 -18.551 -11.786 11.190 582 HA SER 82 HA SER 82 -18.928 -14.511 12.095 583 1HB SER 82 2HB SER 82 -19.295 -12.556 13.613 584 2HB SER 82 1HB SER 82 -20.641 -12.059 12.592 585 HG SER 82 HG SER 82 -20.563 -13.936 14.551 586 H LEU 83 H LEU 83 -21.791 -14.486 12.139 587 HA LEU 83 HA LEU 83 -22.311 -15.819 9.760 588 1HB LEU 83 2HB LEU 83 -23.596 -15.966 11.915 589 2HB LEU 83 1HB LEU 83 -24.371 -14.455 11.494 590 HG LEU 83 HG LEU 83 -25.671 -16.611 11.066 591 1HD1 LEU 83 1HD1 LEU 83 -25.283 -14.694 8.776 592 2HD1 LEU 83 2HD1 LEU 83 -26.374 -14.480 10.146 593 3HD1 LEU 83 3HD1 LEU 83 -26.652 -15.785 8.991 594 1HD2 LEU 83 1HD2 LEU 83 -25.214 -17.725 8.924 595 2HD2 LEU 83 2HD2 LEU 83 -23.905 -17.935 10.088 596 3HD2 LEU 83 3HD2 LEU 83 -23.732 -16.781 8.766 597 H SER 84 H SER 84 -22.941 -12.442 10.597 598 HA SER 84 HA SER 84 -24.523 -11.755 8.398 599 1HB SER 84 2HB SER 84 -24.203 -10.340 10.421 600 2HB SER 84 1HB SER 84 -22.577 -9.955 9.861 601 HG SER 84 HG SER 84 -23.572 -8.368 8.894 602 H ALA 85 H ALA 85 -20.997 -11.578 8.789 603 HA ALA 85 HA ALA 85 -20.525 -10.316 6.297 604 1HB ALA 85 1HB ALA 85 -18.955 -10.169 8.152 605 2HB ALA 85 2HB ALA 85 -18.174 -10.824 6.714 606 3HB ALA 85 3HB ALA 85 -18.637 -11.899 8.033 607 H ARG 86 H ARG 86 -20.285 -13.673 7.364 608 HA ARG 86 HA ARG 86 -19.249 -14.705 4.956 609 1HB ARG 86 2HB ARG 86 -20.873 -16.144 7.066 610 2HB ARG 86 1HB ARG 86 -19.816 -16.892 5.876 611 1HG ARG 86 2HG ARG 86 -17.893 -15.749 6.894 612 2HG ARG 86 1HG ARG 86 -18.968 -15.055 8.106 613 1HD ARG 86 2HD ARG 86 -18.438 -17.993 7.669 614 2HD ARG 86 1HD ARG 86 -17.798 -17.008 8.981 615 HE ARG 86 HE ARG 86 -20.652 -17.687 8.625 616 1HH1 ARG 86 1HH1 ARG 86 -17.961 -16.728 10.646 617 2HH1 ARG 86 2HH1 ARG 86 -18.780 -17.067 12.141 618 1HH2 ARG 86 1HH2 ARG 86 -21.739 -18.156 10.591 619 2HH2 ARG 86 2HH2 ARG 86 -20.929 -17.901 12.103 620 H LYS 87 H LYS 87 -22.477 -14.096 6.133 621 HA LYS 87 HA LYS 87 -23.853 -15.567 4.132 622 1HB LYS 87 2HB LYS 87 -24.799 -14.793 6.362 623 2HB LYS 87 1HB LYS 87 -24.928 -13.190 5.652 624 1HG LYS 87 2HG LYS 87 -26.219 -14.528 3.769 625 2HG LYS 87 1HG LYS 87 -26.502 -15.642 5.106 626 1HD LYS 87 2HD LYS 87 -27.188 -12.707 5.048 627 2HD LYS 87 1HD LYS 87 -28.325 -14.046 4.923 628 1HE LYS 87 2HE LYS 87 -27.737 -14.764 7.176 629 2HE LYS 87 1HE LYS 87 -26.582 -13.436 7.302 630 1HZ LYS 87 1HZ LYS 87 -28.575 -12.767 8.378 631 2HZ LYS 87 2HZ LYS 87 -29.533 -13.239 7.061 632 3HZ LYS 87 3HZ LYS 87 -28.493 -11.906 6.918 633 H GLU 88 H GLU 88 -23.172 -12.079 4.535 634 HA GLU 88 HA GLU 88 -24.577 -11.416 2.161 635 1HB GLU 88 2HB GLU 88 -23.900 -9.145 2.519 636 2HB GLU 88 1HB GLU 88 -24.374 -9.852 4.052 637 1HG GLU 88 2HG GLU 88 -22.031 -10.106 4.675 638 2HG GLU 88 1HG GLU 88 -21.539 -9.435 3.114 639 H LEU 89 H LEU 89 -21.125 -11.933 2.833 640 HA LEU 89 HA LEU 89 -20.194 -10.829 0.404 641 1HB LEU 89 2HB LEU 89 -18.678 -11.307 2.256 642 2HB LEU 89 1HB LEU 89 -18.987 -13.024 2.100 643 HG LEU 89 HG LEU 89 -17.881 -13.057 -0.077 644 1HD1 LEU 89 1HD1 LEU 89 -17.397 -10.116 0.375 645 2HD1 LEU 89 2HD1 LEU 89 -18.474 -10.818 -0.829 646 3HD1 LEU 89 3HD1 LEU 89 -16.735 -11.086 -0.939 647 1HD2 LEU 89 1HD2 LEU 89 -15.600 -12.575 0.674 648 2HD2 LEU 89 2HD2 LEU 89 -16.527 -13.413 1.918 649 3HD2 LEU 89 3HD2 LEU 89 -16.244 -11.678 2.052 650 H ALA 90 H ALA 90 -21.039 -14.168 1.278 651 HA ALA 90 HA ALA 90 -20.558 -15.228 -1.312 652 1HB ALA 90 1HB ALA 90 -20.620 -16.635 0.694 653 2HB ALA 90 2HB ALA 90 -21.772 -17.192 -0.522 654 3HB ALA 90 3HB ALA 90 -22.340 -16.286 0.880 655 H LYS 91 H LYS 91 -23.236 -13.660 0.219 656 HA LYS 91 HA LYS 91 -25.311 -14.470 -1.506 657 1HB LYS 91 2HB LYS 91 -25.509 -13.423 0.784 658 2HB LYS 91 1HB LYS 91 -25.133 -11.880 0.035 659 1HG LYS 91 2HG LYS 91 -27.136 -12.039 -1.331 660 2HG LYS 91 1HG LYS 91 -27.504 -13.613 -0.619 661 1HD LYS 91 2HD LYS 91 -28.823 -12.023 0.553 662 2HD LYS 91 1HD LYS 91 -27.495 -12.470 1.630 663 1HE LYS 91 2HE LYS 91 -27.793 -10.095 1.733 664 2HE LYS 91 1HE LYS 91 -26.282 -10.434 0.889 665 1HZ LYS 91 1HZ LYS 91 -28.833 -9.897 -0.524 666 2HZ LYS 91 2HZ LYS 91 -27.268 -9.923 -1.179 667 3HZ LYS 91 3HZ LYS 91 -27.724 -8.677 -0.128 668 H GLU 92 H GLU 92 -23.187 -11.643 -1.505 669 HA GLU 92 HA GLU 92 -24.414 -10.315 -3.679 670 1HB GLU 92 2HB GLU 92 -21.526 -10.089 -2.819 671 2HB GLU 92 1HB GLU 92 -22.456 -8.901 -3.708 672 1HG GLU 92 2HG GLU 92 -22.807 -9.706 -0.838 673 2HG GLU 92 1HG GLU 92 -22.185 -8.177 -1.447 674 H LEU 93 H LEU 93 -22.024 -12.832 -3.441 675 HA LEU 93 HA LEU 93 -21.232 -12.567 -6.214 676 1HB LEU 93 2HB LEU 93 -20.450 -14.578 -4.103 677 2HB LEU 93 1HB LEU 93 -19.762 -14.501 -5.714 678 HG LEU 93 HG LEU 93 -19.557 -12.335 -3.618 679 1HD1 LEU 93 1HD1 LEU 93 -18.213 -14.275 -3.057 680 2HD1 LEU 93 2HD1 LEU 93 -17.184 -12.936 -3.568 681 3HD1 LEU 93 3HD1 LEU 93 -17.507 -14.273 -4.672 682 1HD2 LEU 93 1HD2 LEU 93 -19.612 -11.438 -5.890 683 2HD2 LEU 93 2HD2 LEU 93 -18.311 -12.534 -6.355 684 3HD2 LEU 93 3HD2 LEU 93 -18.013 -11.263 -5.167 685 H GLY 94 H GLY 94 -23.608 -14.250 -4.427 686 1HA GLY 94 2HA GLY 94 -25.392 -15.049 -6.022 687 2HA GLY 94 1HA GLY 94 -24.108 -15.995 -6.757 688 H TYR 95 H TYR 95 -22.828 -16.739 -4.352 689 HA TYR 95 HA TYR 95 -22.805 -18.342 -2.760 690 1HB TYR 95 2HB TYR 95 -24.681 -17.153 -1.693 691 2HB TYR 95 1HB TYR 95 -25.819 -18.045 -2.695 692 HD1 TYR 95 1HD TYR 95 -23.636 -18.178 0.219 693 HD2 TYR 95 2HD TYR 95 -26.198 -20.453 -2.303 694 HE1 TYR 95 1HE TYR 95 -23.704 -19.965 1.907 695 HE2 TYR 95 2HE TYR 95 -26.273 -22.245 -0.621 696 HH TYR 95 HH TYR 95 -24.759 -23.049 1.300 697 H SER 96 H SER 96 -22.108 -20.162 -3.585 698 HA SER 96 HA SER 96 -24.057 -22.039 -4.696 699 1HB SER 96 2HB SER 96 -21.312 -21.537 -5.881 700 2HB SER 96 1HB SER 96 -22.487 -22.725 -6.447 701 HG SER 96 HG SER 96 -23.820 -20.528 -6.452 702 H GLY 97 H GLY 97 -23.805 -24.096 -3.927 703 1HA GLY 97 2HA GLY 97 -21.535 -25.397 -3.149 704 2HA GLY 97 1HA GLY 97 -21.960 -24.437 -1.742 705 H ASP 98 H ASP 98 -22.185 -27.395 -3.005 706 HA ASP 98 HA ASP 98 -24.284 -28.105 -1.116 707 1HB ASP 98 2HB ASP 98 -25.499 -27.939 -3.236 708 2HB ASP 98 1HB ASP 98 -24.327 -29.001 -4.010 709 H MET 99 H MET 99 -22.290 -29.585 -3.665 710 HA MET 99 HA MET 99 -21.756 -31.852 -1.918 711 1HB MET 99 2HB MET 99 -20.793 -32.907 -3.888 712 2HB MET 99 1HB MET 99 -22.379 -32.250 -4.266 713 1HG MET 99 2HG MET 99 -21.317 -30.308 -5.315 714 2HG MET 99 1HG MET 99 -19.733 -30.994 -4.960 715 1HE MET 99 1HE MET 99 -20.697 -30.088 -7.909 716 2HE MET 99 2HE MET 99 -20.012 -31.416 -8.844 717 3HE MET 99 3HE MET 99 -19.095 -30.712 -7.514 718 H ASN 100 H ASN 100 -20.278 -28.936 -2.819 719 HA ASN 100 HA ASN 100 -17.550 -29.863 -2.574 720 1HB ASN 100 2HB ASN 100 -16.985 -27.439 -2.866 721 2HB ASN 100 1HB ASN 100 -17.947 -28.121 -4.172 722 1HD2 ASN 100 1HD2 ASN 100 -17.943 -25.967 -1.436 723 2HD2 ASN 100 2HD2 ASN 100 -19.416 -25.156 -1.829 724 H ASP 101 H ASP 101 -19.914 -29.111 -0.374 725 HA ASP 101 HA ASP 101 -19.932 -28.753 1.875 726 1HB ASP 101 2HB ASP 101 -18.242 -30.658 1.655 727 2HB ASP 101 1HB ASP 101 -16.984 -29.441 1.810 728 H SER 102 H SER 102 -18.124 -27.626 3.649 729 HA SER 102 HA SER 102 -18.054 -24.880 2.734 730 1HB SER 102 2HB SER 102 -17.230 -26.106 5.383 731 2HB SER 102 1HB SER 102 -17.355 -24.379 5.051 732 HG SER 102 HG SER 102 -19.290 -26.101 5.773 733 H ALA 103 H ALA 103 -15.972 -27.556 2.869 734 HA ALA 103 HA ALA 103 -13.448 -26.415 3.211 735 1HB ALA 103 1HB ALA 103 -12.583 -28.391 2.097 736 2HB ALA 103 2HB ALA 103 -14.185 -28.758 1.453 737 3HB ALA 103 3HB ALA 103 -13.892 -28.835 3.193 738 H SER 104 H SER 104 -14.953 -27.307 0.099 739 HA SER 104 HA SER 104 -13.069 -25.751 -1.385 740 1HB SER 104 2HB SER 104 -15.674 -26.997 -2.299 741 2HB SER 104 1HB SER 104 -14.362 -26.437 -3.337 742 HG SER 104 HG SER 104 -13.269 -28.195 -2.928 743 H MET 105 H MET 105 -15.746 -24.904 0.400 744 HA MET 105 HA MET 105 -16.816 -22.871 -1.307 745 1HB MET 105 2HB MET 105 -18.163 -23.962 0.452 746 2HB MET 105 1HB MET 105 -17.136 -23.231 1.677 747 1HG MET 105 2HG MET 105 -17.843 -21.016 0.967 748 2HG MET 105 1HG MET 105 -18.846 -21.732 -0.295 749 1HE MET 105 1HE MET 105 -21.497 -20.376 2.247 750 2HE MET 105 2HE MET 105 -20.983 -20.403 0.560 751 3HE MET 105 3HE MET 105 -19.965 -19.637 1.780 752 H ASN 106 H ASN 106 -14.336 -23.023 1.169 753 HA ASN 106 HA ASN 106 -13.912 -20.210 1.369 754 1HB ASN 106 2HB ASN 106 -13.077 -21.742 3.089 755 2HB ASN 106 1HB ASN 106 -12.037 -22.531 1.912 756 1HD2 ASN 106 1HD2 ASN 106 -10.167 -22.110 3.026 757 2HD2 ASN 106 2HD2 ASN 106 -9.487 -20.529 3.173 758 H ILE 107 H ILE 107 -12.796 -22.739 -0.725 759 HA ILE 107 HA ILE 107 -10.701 -21.308 -2.006 760 HB ILE 107 HB ILE 107 -12.252 -23.711 -2.992 761 1HG1 ILE 107 2HG1 ILE 107 -9.654 -23.598 -1.443 762 2HG1 ILE 107 1HG1 ILE 107 -11.217 -24.020 -0.750 763 1HG2 ILE 107 1HG2 ILE 107 -10.991 -22.626 -4.759 764 2HG2 ILE 107 2HG2 ILE 107 -10.249 -24.165 -4.328 765 3HG2 ILE 107 3HG2 ILE 107 -9.534 -22.654 -3.765 766 1HD1 ILE 107 1HD1 ILE 107 -11.337 -25.970 -2.212 767 2HD1 ILE 107 2HD1 ILE 107 -9.891 -25.997 -1.202 768 3HD1 ILE 107 3HD1 ILE 107 -9.769 -25.547 -2.903 769 H TRP 108 H TRP 108 -13.940 -22.270 -3.133 770 HA TRP 108 HA TRP 108 -14.005 -20.877 -5.526 771 1HB TRP 108 2HB TRP 108 -15.691 -22.504 -5.073 772 2HB TRP 108 1HB TRP 108 -16.221 -21.656 -3.626 773 HD1 TRP 108 HD TRP 108 -16.330 -21.301 -7.474 774 HE1 TRP 108 1HE TRP 108 -18.364 -19.843 -8.093 775 HE3 TRP 108 3HE TRP 108 -17.845 -19.984 -2.772 776 HZ2 TRP 108 2HZ TRP 108 -20.344 -18.331 -6.757 777 HZ3 TRP 108 3HZ TRP 108 -19.816 -18.531 -2.530 778 HH2 TRP 108 HH TRP 108 -21.037 -17.723 -4.481 779 H LEU 109 H LEU 109 -15.176 -19.795 -2.351 780 HA LEU 109 HA LEU 109 -16.207 -17.331 -3.184 781 1HB LEU 109 2HB LEU 109 -16.616 -18.496 -0.993 782 2HB LEU 109 1HB LEU 109 -15.025 -17.969 -0.481 783 HG LEU 109 HG LEU 109 -15.767 -15.607 -0.775 784 1HD1 LEU 109 1HD1 LEU 109 -18.150 -15.138 -0.969 785 2HD1 LEU 109 2HD1 LEU 109 -18.478 -16.860 -1.172 786 3HD1 LEU 109 3HD1 LEU 109 -17.546 -15.989 -2.391 787 1HD2 LEU 109 1HD2 LEU 109 -17.407 -17.281 1.119 788 2HD2 LEU 109 2HD2 LEU 109 -17.155 -15.539 1.237 789 3HD2 LEU 109 3HD2 LEU 109 -15.791 -16.642 1.421 790 H HIS 110 H HIS 110 -13.025 -18.233 -1.946 791 HA HIS 110 HA HIS 110 -11.850 -15.720 -1.795 792 1HB HIS 110 2HB HIS 110 -10.798 -17.748 -0.915 793 2HB HIS 110 1HB HIS 110 -10.584 -18.366 -2.546 794 HD1 HIS 110 1HD HIS 110 -8.346 -17.968 -3.515 795 HD2 HIS 110 2HD HIS 110 -9.244 -15.217 -0.533 796 HE1 HIS 110 1HE HIS 110 -6.266 -16.591 -3.221 797 HE2 HIS 110 2HE HIS 110 -6.765 -15.075 -1.270 798 H LYS 111 H LYS 111 -12.102 -17.927 -4.553 799 HA LYS 111 HA LYS 111 -10.465 -16.324 -6.250 800 1HB LYS 111 2HB LYS 111 -12.311 -18.636 -6.847 801 2HB LYS 111 1HB LYS 111 -11.271 -17.875 -8.045 802 1HG LYS 111 2HG LYS 111 -9.327 -18.396 -6.557 803 2HG LYS 111 1HG LYS 111 -10.432 -19.341 -5.560 804 1HD LYS 111 2HD LYS 111 -10.176 -19.857 -8.498 805 2HD LYS 111 1HD LYS 111 -9.026 -20.540 -7.354 806 1HE LYS 111 2HE LYS 111 -11.089 -21.412 -6.107 807 2HE LYS 111 1HE LYS 111 -11.966 -21.060 -7.598 808 1HZ LYS 111 1HZ LYS 111 -11.152 -23.371 -7.470 809 2HZ LYS 111 2HZ LYS 111 -9.557 -22.793 -7.429 810 3HZ LYS 111 3HZ LYS 111 -10.520 -22.531 -8.802 811 H GLN 112 H GLN 112 -13.923 -16.629 -5.741 812 HA GLN 112 HA GLN 112 -14.713 -15.130 -8.012 813 1HB GLN 112 2HB GLN 112 -16.140 -16.678 -6.551 814 2HB GLN 112 1HB GLN 112 -16.259 -15.330 -5.431 815 1HG GLN 112 2HG GLN 112 -18.208 -15.427 -6.847 816 2HG GLN 112 1HG GLN 112 -17.280 -13.968 -7.188 817 1HE2 GLN 112 1HE2 GLN 112 -16.282 -17.114 -8.293 818 2HE2 GLN 112 2HE2 GLN 112 -16.592 -16.849 -9.971 819 H VAL 113 H VAL 113 -13.962 -14.292 -4.673 820 HA VAL 113 HA VAL 113 -14.565 -11.542 -4.860 821 HB VAL 113 HB VAL 113 -12.654 -12.997 -3.028 822 1HG1 VAL 113 1HG1 VAL 113 -12.025 -10.649 -3.152 823 2HG1 VAL 113 2HG1 VAL 113 -12.772 -11.005 -1.593 824 3HG1 VAL 113 3HG1 VAL 113 -13.696 -10.170 -2.842 825 1HG2 VAL 113 1HG2 VAL 113 -14.978 -13.685 -2.786 826 2HG2 VAL 113 2HG2 VAL 113 -15.470 -11.999 -2.605 827 3HG2 VAL 113 3HG2 VAL 113 -14.450 -12.759 -1.382 828 H MET 114 H MET 114 -11.657 -13.407 -5.623 829 HA MET 114 HA MET 114 -9.842 -11.270 -5.805 830 1HB MET 114 2HB MET 114 -9.837 -13.864 -7.359 831 2HB MET 114 1HB MET 114 -8.483 -12.748 -7.261 832 1HG MET 114 2HG MET 114 -8.479 -13.105 -4.791 833 2HG MET 114 1HG MET 114 -9.690 -14.362 -5.030 834 1HE MET 114 1HE MET 114 -9.153 -16.429 -6.891 835 2HE MET 114 2HE MET 114 -7.530 -16.699 -7.521 836 3HE MET 114 3HE MET 114 -8.439 -15.268 -8.010 837 H SER 115 H SER 115 -12.175 -12.529 -8.090 838 HA SER 115 HA SER 115 -11.224 -11.227 -10.396 839 1HB SER 115 2HB SER 115 -12.876 -13.116 -10.346 840 2HB SER 115 1HB SER 115 -14.092 -11.973 -9.780 841 HG SER 115 HG SER 115 -13.467 -12.499 -12.262 842 H LYS 116 H LYS 116 -12.630 -9.952 -7.609 843 HA LYS 116 HA LYS 116 -13.498 -7.507 -8.994 844 1HB LYS 116 2HB LYS 116 -13.911 -7.984 -6.063 845 2HB LYS 116 1HB LYS 116 -14.887 -7.046 -7.180 846 1HG LYS 116 2HG LYS 116 -14.739 -10.050 -7.192 847 2HG LYS 116 1HG LYS 116 -15.960 -9.122 -6.326 848 1HD LYS 116 2HD LYS 116 -16.713 -8.142 -8.439 849 2HD LYS 116 1HD LYS 116 -15.487 -9.070 -9.306 850 1HE LYS 116 2HE LYS 116 -16.519 -11.145 -8.641 851 2HE LYS 116 1HE LYS 116 -17.670 -10.288 -7.618 852 1HZ LYS 116 1HZ LYS 116 -18.601 -9.254 -9.596 853 2HZ LYS 116 2HZ LYS 116 -18.668 -10.949 -9.714 854 3HZ LYS 116 3HZ LYS 116 -17.492 -10.086 -10.578 855 H LEU 117 H LEU 117 -11.890 -8.523 -6.016 856 HA LEU 117 HA LEU 117 -11.035 -6.096 -5.095 857 1HB LEU 117 2HB LEU 117 -11.073 -8.429 -4.010 858 2HB LEU 117 1HB LEU 117 -9.468 -8.623 -4.677 859 HG LEU 117 HG LEU 117 -9.614 -7.920 -2.251 860 1HD1 LEU 117 1HD1 LEU 117 -7.747 -6.377 -2.390 861 2HD1 LEU 117 2HD1 LEU 117 -8.075 -6.112 -4.103 862 3HD1 LEU 117 3HD1 LEU 117 -7.555 -7.701 -3.539 863 1HD2 LEU 117 1HD2 LEU 117 -9.979 -5.544 -1.805 864 2HD2 LEU 117 2HD2 LEU 117 -11.424 -6.319 -2.456 865 3HD2 LEU 117 3HD2 LEU 117 -10.427 -5.300 -3.493 866 H VAL 118 H VAL 118 -8.776 -8.468 -6.575 867 HA VAL 118 HA VAL 118 -6.746 -6.481 -6.763 868 HB VAL 118 HB VAL 118 -5.439 -8.148 -8.034 869 1HG1 VAL 118 1HG1 VAL 118 -5.335 -8.132 -5.624 870 2HG1 VAL 118 2HG1 VAL 118 -5.260 -9.792 -6.213 871 3HG1 VAL 118 3HG1 VAL 118 -6.760 -9.167 -5.527 872 1HG2 VAL 118 1HG2 VAL 118 -7.904 -9.864 -7.754 873 2HG2 VAL 118 2HG2 VAL 118 -6.328 -10.417 -8.322 874 3HG2 VAL 118 3HG2 VAL 118 -7.237 -9.231 -9.259 875 H ALA 119 H ALA 119 -9.381 -7.263 -8.748 876 HA ALA 119 HA ALA 119 -8.284 -6.370 -11.238 877 1HB ALA 119 1HB ALA 119 -10.603 -6.401 -12.027 878 2HB ALA 119 2HB ALA 119 -11.155 -6.687 -10.379 879 3HB ALA 119 3HB ALA 119 -10.176 -7.902 -11.205 880 H ASN 120 H ASN 120 -9.281 -4.811 -8.402 881 HA ASN 120 HA ASN 120 -10.133 -2.336 -9.577 882 1HB ASN 120 2HB ASN 120 -9.241 -3.076 -6.792 883 2HB ASN 120 1HB ASN 120 -9.588 -1.410 -7.231 884 1HD2 ASN 120 1HD2 ASN 120 -11.297 -4.222 -8.441 885 2HD2 ASN 120 2HD2 ASN 120 -12.805 -3.876 -7.671 886 H GLY 121 H GLY 121 -7.188 -3.802 -9.632 887 1HA GLY 121 2HA GLY 121 -5.466 -2.580 -10.891 888 2HA GLY 121 1HA GLY 121 -5.813 -1.195 -9.869 889 H GLY 122 H GLY 122 -5.723 -4.347 -8.453 890 1HA GLY 122 2HA GLY 122 -3.393 -3.533 -6.903 891 2HA GLY 122 1HA GLY 122 -4.471 -4.868 -6.533 892 H LYS 123 H LYS 123 -1.509 -4.647 -6.762 893 HA LYS 123 HA LYS 123 -1.053 -6.676 -8.843 894 1HB LYS 123 2HB LYS 123 0.355 -4.681 -9.031 895 2HB LYS 123 1HB LYS 123 0.906 -4.888 -7.376 896 1HG LYS 123 2HG LYS 123 1.352 -7.227 -9.078 897 2HG LYS 123 1HG LYS 123 2.216 -5.777 -9.590 898 1HD LYS 123 2HD LYS 123 2.266 -6.858 -6.776 899 2HD LYS 123 1HD LYS 123 3.484 -7.241 -7.994 900 1HE LYS 123 2HE LYS 123 4.057 -4.888 -8.192 901 2HE LYS 123 1HE LYS 123 2.786 -4.463 -7.046 902 1HZ LYS 123 1HZ LYS 123 5.102 -4.578 -6.133 903 2HZ LYS 123 2HZ LYS 123 5.038 -6.260 -6.338 904 3HZ LYS 123 3HZ LYS 123 3.943 -5.489 -5.293 905 H LEU 124 H LEU 124 -0.380 -8.678 -8.292 906 HA LEU 124 HA LEU 124 0.158 -9.217 -5.481 907 1HB LEU 124 2HB LEU 124 -1.288 -11.257 -5.592 908 2HB LEU 124 1HB LEU 124 -2.137 -9.735 -5.583 909 HG LEU 124 HG LEU 124 -3.226 -11.368 -7.021 910 1HD1 LEU 124 1HD1 LEU 124 -3.452 -9.023 -7.617 911 2HD1 LEU 124 2HD1 LEU 124 -3.494 -10.069 -9.036 912 3HD1 LEU 124 3HD1 LEU 124 -2.039 -9.152 -8.663 913 1HD2 LEU 124 1HD2 LEU 124 -0.699 -11.376 -8.645 914 2HD2 LEU 124 2HD2 LEU 124 -2.223 -12.129 -9.114 915 3HD2 LEU 124 3HD2 LEU 124 -1.345 -12.715 -7.698 916 HA PRO 125 HA PRO 125 3.369 -11.906 -6.970 917 1HB PRO 125 2HB PRO 125 2.804 -13.643 -4.656 918 2HB PRO 125 1HB PRO 125 4.275 -12.751 -5.052 919 1HG PRO 125 2HG PRO 125 2.683 -12.004 -3.029 920 2HG PRO 125 1HG PRO 125 3.536 -10.816 -4.034 921 1HD PRO 125 2HD PRO 125 0.667 -11.672 -4.135 922 2HD PRO 125 1HD PRO 125 1.362 -10.045 -4.288 923 HA PRO 126 HA PRO 126 1.471 -15.321 -9.031 924 1HB PRO 126 2HB PRO 126 3.482 -17.127 -9.190 925 2HB PRO 126 1HB PRO 126 3.481 -15.622 -10.117 926 1HG PRO 126 2HG PRO 126 4.886 -16.266 -7.550 927 2HG PRO 126 1HG PRO 126 5.506 -15.424 -8.982 928 1HD PRO 126 2HD PRO 126 4.673 -14.104 -6.774 929 2HD PRO 126 1HD PRO 126 4.490 -13.433 -8.408 930 H GLU 127 H GLU 127 1.368 -15.334 -5.979 931 HA GLU 127 HA GLU 127 1.086 -18.229 -5.543 932 1HB GLU 127 2HB GLU 127 0.981 -16.033 -3.473 933 2HB GLU 127 1HB GLU 127 1.138 -17.759 -3.189 934 1HG GLU 127 2HG GLU 127 3.352 -17.748 -4.173 935 2HG GLU 127 1HG GLU 127 3.198 -16.030 -4.538 936 H ILE 128 H ILE 128 -0.628 -15.398 -6.185 937 HA ILE 128 HA ILE 128 -3.017 -16.226 -4.741 938 HB ILE 128 HB ILE 128 -2.389 -13.663 -6.213 939 1HG1 ILE 128 2HG1 ILE 128 -2.760 -12.707 -3.889 940 2HG1 ILE 128 1HG1 ILE 128 -2.764 -14.360 -3.292 941 1HG2 ILE 128 1HG2 ILE 128 -4.935 -14.452 -4.802 942 2HG2 ILE 128 2HG2 ILE 128 -4.735 -14.182 -6.533 943 3HG2 ILE 128 3HG2 ILE 128 -4.558 -12.838 -5.405 944 1HD1 ILE 128 1HD1 ILE 128 -0.485 -14.662 -4.050 945 2HD1 ILE 128 2HD1 ILE 128 -0.608 -13.269 -2.975 946 3HD1 ILE 128 3HD1 ILE 128 -0.475 -13.029 -4.718 947 H LYS 129 H LYS 129 -3.509 -18.003 -5.933 948 HA LYS 129 HA LYS 129 -5.635 -17.753 -7.637 949 1HB LYS 129 2HB LYS 129 -3.084 -17.891 -9.137 950 2HB LYS 129 1HB LYS 129 -4.309 -19.048 -9.639 951 1HG LYS 129 2HG LYS 129 -5.908 -17.144 -9.865 952 2HG LYS 129 1HG LYS 129 -4.561 -16.048 -9.560 953 1HD LYS 129 2HD LYS 129 -4.874 -16.192 -11.926 954 2HD LYS 129 1HD LYS 129 -3.396 -17.067 -11.524 955 1HE LYS 129 2HE LYS 129 -4.473 -19.169 -11.755 956 2HE LYS 129 1HE LYS 129 -6.067 -18.420 -11.840 957 1HZ LYS 129 1HZ LYS 129 -5.317 -19.091 -14.024 958 2HZ LYS 129 2HZ LYS 129 -3.906 -18.158 -13.866 959 3HZ LYS 129 3HZ LYS 129 -5.424 -17.400 -13.941 960 H HIS 130 H HIS 130 -6.525 -19.319 -6.434 961 HA HIS 130 HA HIS 130 -5.312 -21.977 -6.481 962 1HB HIS 130 2HB HIS 130 -4.662 -20.513 -4.410 963 2HB HIS 130 1HB HIS 130 -6.305 -20.847 -3.878 964 HD1 HIS 130 1HD HIS 130 -2.967 -22.124 -3.701 965 HD2 HIS 130 2HD HIS 130 -6.780 -23.796 -3.720 966 HE1 HIS 130 1HE HIS 130 -2.698 -24.447 -2.773 967 HE2 HIS 130 2HE HIS 130 -4.980 -25.498 -2.951 Start of MODEL 18 1 1H MET 1 1HT MET 1 -23.332 -6.916 1.954 2 2H MET 1 2HT MET 1 -24.509 -7.393 0.820 3 3H MET 1 3HT MET 1 -24.948 -6.421 2.131 4 HA MET 1 HA MET 1 -24.787 -5.225 0.013 5 1HB MET 1 2HB MET 1 -24.444 -4.123 2.258 6 2HB MET 1 1HB MET 1 -22.712 -4.331 2.023 7 1HG MET 1 2HG MET 1 -22.905 -2.997 -0.070 8 2HG MET 1 1HG MET 1 -24.588 -2.683 0.346 9 1HE MET 1 1HE MET 1 -20.945 -1.175 2.730 10 2HE MET 1 2HE MET 1 -20.842 -1.989 1.172 11 3HE MET 1 3HE MET 1 -21.358 -2.887 2.601 12 H SER 2 H SER 2 -21.463 -5.363 1.241 13 HA SER 2 HA SER 2 -20.361 -6.713 -0.963 14 1HB SER 2 2HB SER 2 -20.214 -3.698 -1.051 15 2HB SER 2 1HB SER 2 -19.052 -4.722 -1.888 16 HG SER 2 HG SER 2 -21.733 -5.291 -2.344 17 H ILE 3 H ILE 3 -19.419 -7.727 0.931 18 HA ILE 3 HA ILE 3 -17.717 -6.349 2.695 19 HB ILE 3 HB ILE 3 -17.578 -9.252 1.878 20 1HG1 ILE 3 2HG1 ILE 3 -19.082 -7.779 4.034 21 2HG1 ILE 3 1HG1 ILE 3 -19.712 -8.874 2.813 22 1HG2 ILE 3 1HG2 ILE 3 -16.377 -9.580 3.996 23 2HG2 ILE 3 2HG2 ILE 3 -16.359 -7.832 4.237 24 3HG2 ILE 3 3HG2 ILE 3 -15.492 -8.543 2.877 25 1HD1 ILE 3 1HD1 ILE 3 -19.737 -9.911 4.992 26 2HD1 ILE 3 2HD1 ILE 3 -18.003 -9.638 5.163 27 3HD1 ILE 3 3HD1 ILE 3 -18.603 -10.743 3.928 28 H PHE 4 H PHE 4 -17.111 -7.848 -0.439 29 HA PHE 4 HA PHE 4 -14.317 -7.541 -0.453 30 1HB PHE 4 2HB PHE 4 -14.598 -7.575 -2.993 31 2HB PHE 4 1HB PHE 4 -15.186 -8.972 -2.106 32 HD1 PHE 4 1HD PHE 4 -16.204 -5.931 -3.919 33 HD2 PHE 4 2HD PHE 4 -17.465 -9.583 -2.141 34 HE1 PHE 4 1HE PHE 4 -18.398 -5.696 -5.005 35 HE2 PHE 4 2HE PHE 4 -19.665 -9.352 -3.215 36 HZ PHE 4 HZ PHE 4 -20.135 -7.408 -4.651 37 H GLY 5 H GLY 5 -16.902 -5.283 -1.023 38 1HA GLY 5 2HA GLY 5 -15.132 -3.242 -2.083 39 2HA GLY 5 1HA GLY 5 -16.847 -3.062 -1.731 40 H LYS 6 H LYS 6 -15.931 -4.420 0.958 41 HA LYS 6 HA LYS 6 -15.614 -1.887 2.342 42 1HB LYS 6 2HB LYS 6 -16.044 -4.697 3.378 43 2HB LYS 6 1HB LYS 6 -15.989 -3.254 4.382 44 1HG LYS 6 2HG LYS 6 -17.991 -2.424 3.506 45 2HG LYS 6 1HG LYS 6 -17.943 -3.523 2.127 46 1HD LYS 6 2HD LYS 6 -19.606 -4.362 3.605 47 2HD LYS 6 1HD LYS 6 -18.203 -5.416 3.767 48 1HE LYS 6 2HE LYS 6 -19.237 -4.832 5.944 49 2HE LYS 6 1HE LYS 6 -17.544 -4.370 5.816 50 1HZ LYS 6 1HZ LYS 6 -18.190 -2.103 5.428 51 2HZ LYS 6 2HZ LYS 6 -18.933 -2.647 6.849 52 3HZ LYS 6 3HZ LYS 6 -19.836 -2.518 5.420 53 H ILE 7 H ILE 7 -13.880 -4.917 1.839 54 HA ILE 7 HA ILE 7 -11.717 -4.245 3.574 55 HB ILE 7 HB ILE 7 -10.524 -6.143 2.506 56 1HG1 ILE 7 2HG1 ILE 7 -13.056 -6.421 0.869 57 2HG1 ILE 7 1HG1 ILE 7 -11.497 -5.902 0.244 58 1HG2 ILE 7 1HG2 ILE 7 -11.907 -6.546 4.433 59 2HG2 ILE 7 2HG2 ILE 7 -12.086 -7.892 3.305 60 3HG2 ILE 7 3HG2 ILE 7 -13.348 -6.664 3.423 61 1HD1 ILE 7 1HD1 ILE 7 -11.885 -8.215 -0.300 62 2HD1 ILE 7 2HD1 ILE 7 -12.141 -8.601 1.401 63 3HD1 ILE 7 3HD1 ILE 7 -10.550 -8.085 0.844 64 H MET 8 H MET 8 -12.337 -3.850 0.125 65 HA MET 8 HA MET 8 -9.675 -3.055 -0.520 66 1HB MET 8 2HB MET 8 -10.551 -2.420 -2.692 67 2HB MET 8 1HB MET 8 -11.205 -3.978 -2.214 68 1HG MET 8 2HG MET 8 -13.038 -2.922 -3.108 69 2HG MET 8 1HG MET 8 -13.233 -2.612 -1.386 70 1HE MET 8 1HE MET 8 -12.164 -1.134 -4.849 71 2HE MET 8 2HE MET 8 -10.717 -0.858 -3.880 72 3HE MET 8 3HE MET 8 -11.691 0.510 -4.421 73 H SER 9 H SER 9 -12.228 -1.522 1.049 74 HA SER 9 HA SER 9 -11.832 1.162 0.251 75 1HB SER 9 2HB SER 9 -13.873 0.360 1.405 76 2HB SER 9 1HB SER 9 -12.927 0.080 2.865 77 HG SER 9 HG SER 9 -12.379 2.471 2.516 78 H ALA 10 H ALA 10 -10.115 -0.946 2.364 79 HA ALA 10 HA ALA 10 -8.575 1.282 3.481 80 1HB ALA 10 1HB ALA 10 -9.359 -0.413 5.059 81 2HB ALA 10 2HB ALA 10 -7.597 -0.386 4.976 82 3HB ALA 10 3HB ALA 10 -8.499 -1.659 4.154 83 H ILE 11 H ILE 11 -8.225 -1.676 1.584 84 HA ILE 11 HA ILE 11 -5.464 -1.681 1.246 85 HB ILE 11 HB ILE 11 -7.560 -2.652 -0.707 86 1HG1 ILE 11 2HG1 ILE 11 -6.100 -4.160 1.477 87 2HG1 ILE 11 1HG1 ILE 11 -7.765 -3.597 1.588 88 1HG2 ILE 11 1HG2 ILE 11 -4.652 -3.409 -0.427 89 2HG2 ILE 11 2HG2 ILE 11 -5.360 -2.462 -1.736 90 3HG2 ILE 11 3HG2 ILE 11 -5.813 -4.153 -1.528 91 1HD1 ILE 11 1HD1 ILE 11 -7.712 -5.942 1.040 92 2HD1 ILE 11 2HD1 ILE 11 -6.687 -5.624 -0.360 93 3HD1 ILE 11 3HD1 ILE 11 -8.346 -5.025 -0.328 94 H PHE 12 H PHE 12 -7.980 -0.273 -0.851 95 HA PHE 12 HA PHE 12 -5.898 1.096 -2.400 96 1HB PHE 12 2HB PHE 12 -8.854 0.730 -2.928 97 2HB PHE 12 1HB PHE 12 -7.755 1.611 -3.981 98 HD1 PHE 12 1HD PHE 12 -6.236 0.458 -5.423 99 HD2 PHE 12 2HD PHE 12 -8.703 -1.702 -2.713 100 HE1 PHE 12 1HE PHE 12 -5.699 -1.632 -6.612 101 HE2 PHE 12 2HE PHE 12 -8.166 -3.797 -3.887 102 HZ PHE 12 HZ PHE 12 -6.663 -3.764 -5.839 103 H GLY 13 H GLY 13 -7.407 1.699 0.332 104 1HA GLY 13 2HA GLY 13 -8.351 4.398 -0.328 105 2HA GLY 13 1HA GLY 13 -8.721 3.512 1.142 106 H ASP 14 H ASP 14 -5.650 2.837 1.068 107 HA ASP 14 HA ASP 14 -4.976 5.177 2.679 108 1HB ASP 14 2HB ASP 14 -4.584 2.659 3.357 109 2HB ASP 14 1HB ASP 14 -3.125 2.839 2.384 110 H SER 15 H SER 15 -2.480 5.705 2.530 111 HA SER 15 HA SER 15 -1.487 5.715 -0.176 112 1HB SER 15 2HB SER 15 -1.454 8.297 -0.154 113 2HB SER 15 1HB SER 15 -2.981 7.496 -0.523 114 HG SER 15 HG SER 15 -2.383 8.150 2.144 115 H ALA 16 H ALA 16 -0.786 5.291 2.878 116 HA ALA 16 HA ALA 16 1.907 6.377 2.604 117 1HB ALA 16 1HB ALA 16 0.180 7.034 4.985 118 2HB ALA 16 2HB ALA 16 0.682 8.166 3.729 119 3HB ALA 16 3HB ALA 16 1.885 7.443 4.795 120 H ALA 17 H ALA 17 -0.367 4.296 4.295 121 HA ALA 17 HA ALA 17 1.794 3.034 5.796 122 1HB ALA 17 1HB ALA 17 -1.179 2.533 5.845 123 2HB ALA 17 2HB ALA 17 -0.271 3.529 6.982 124 3HB ALA 17 3HB ALA 17 0.007 1.788 6.917 125 H ALA 18 H ALA 18 2.336 0.866 5.640 126 HA ALA 18 HA ALA 18 2.617 -1.206 4.761 127 1HB ALA 18 1HB ALA 18 0.206 -1.432 5.092 128 2HB ALA 18 2HB ALA 18 0.743 -2.304 3.656 129 3HB ALA 18 3HB ALA 18 -0.083 -0.754 3.489 130 H SER 19 H SER 19 3.261 1.353 3.221 131 HA SER 19 HA SER 19 3.107 0.637 0.460 132 1HB SER 19 2HB SER 19 4.839 2.725 1.795 133 2HB SER 19 1HB SER 19 4.433 2.640 0.080 134 HG SER 19 HG SER 19 2.182 2.582 1.525 135 HA PRO 20 HA PRO 20 6.681 -2.033 0.603 136 1HB PRO 20 2HB PRO 20 6.649 -2.784 -1.978 137 2HB PRO 20 1HB PRO 20 5.450 -3.375 -0.820 138 1HG PRO 20 2HG PRO 20 5.203 -1.193 -2.854 139 2HG PRO 20 1HG PRO 20 4.040 -2.463 -2.427 140 1HD PRO 20 2HD PRO 20 3.889 0.103 -1.492 141 2HD PRO 20 1HD PRO 20 3.253 -1.301 -0.612 142 H GLY 21 H GLY 21 8.831 -2.016 -0.120 143 1HA GLY 21 2HA GLY 21 10.036 -0.791 -2.195 144 2HA GLY 21 1HA GLY 21 9.760 0.544 -1.085 145 H GLY 22 H GLY 22 12.112 0.708 -1.089 146 1HA GLY 22 2HA GLY 22 13.325 -1.260 0.746 147 2HA GLY 22 1HA GLY 22 14.226 -0.443 -0.525 148 H ALA 23 H ALA 23 13.493 -0.433 2.711 149 HA ALA 23 HA ALA 23 14.058 2.435 2.989 150 1HB ALA 23 1HB ALA 23 12.953 0.503 5.026 151 2HB ALA 23 2HB ALA 23 12.020 1.683 4.104 152 3HB ALA 23 3HB ALA 23 13.220 2.228 5.278 153 H GLN 24 H GLN 24 16.168 2.796 3.134 154 HA GLN 24 HA GLN 24 17.914 0.875 4.444 155 1HB GLN 24 2HB GLN 24 18.475 3.445 2.958 156 2HB GLN 24 1HB GLN 24 19.727 2.471 3.719 157 1HG GLN 24 2HG GLN 24 19.215 0.613 2.266 158 2HG GLN 24 1HG GLN 24 17.866 1.503 1.563 159 1HE2 GLN 24 1HE2 GLN 24 18.721 1.354 -0.501 160 2HE2 GLN 24 2HE2 GLN 24 20.098 2.283 -1.008 161 H ALA 25 H ALA 25 19.258 1.391 6.200 162 HA ALA 25 HA ALA 25 17.981 2.783 8.279 163 1HB ALA 25 1HB ALA 25 19.980 2.335 9.580 164 2HB ALA 25 2HB ALA 25 20.871 1.937 8.112 165 3HB ALA 25 3HB ALA 25 19.533 0.915 8.636 166 HA PRO 26 HA PRO 26 18.999 7.018 7.447 167 1HB PRO 26 2HB PRO 26 18.872 7.226 10.412 168 2HB PRO 26 1HB PRO 26 18.018 8.160 9.179 169 1HG PRO 26 2HG PRO 26 16.743 6.303 10.587 170 2HG PRO 26 1HG PRO 26 16.411 6.517 8.859 171 1HD PRO 26 2HD PRO 26 18.037 4.416 10.233 172 2HD PRO 26 1HD PRO 26 16.943 4.265 8.841 173 H ALA 27 H ALA 27 20.960 7.849 7.098 174 HA ALA 27 HA ALA 27 23.072 7.356 9.087 175 1HB ALA 27 1HB ALA 27 23.329 5.771 7.232 176 2HB ALA 27 2HB ALA 27 24.669 6.916 7.306 177 3HB ALA 27 3HB ALA 27 23.399 7.121 6.098 178 H THR 28 H THR 28 24.985 8.796 8.721 179 HA THR 28 HA THR 28 24.405 11.291 7.336 180 HB THR 28 HB THR 28 23.575 11.708 9.611 181 HG1 THR 28 1HG THR 28 24.950 13.541 10.049 182 1HG2 THR 28 1HG2 THR 28 25.109 11.696 11.528 183 2HG2 THR 28 2HG2 THR 28 26.380 11.027 10.505 184 3HG2 THR 28 3HG2 THR 28 24.927 10.083 10.835 185 H THR 29 H THR 29 26.319 12.582 7.006 186 HA THR 29 HA THR 29 28.787 10.997 7.253 187 HB THR 29 HB THR 29 28.084 11.398 4.929 188 HG1 THR 29 1HG THR 29 30.238 13.010 4.805 189 1HG2 THR 29 1HG2 THR 29 26.921 13.520 5.215 190 2HG2 THR 29 2HG2 THR 29 28.176 13.661 3.983 191 3HG2 THR 29 3HG2 THR 29 28.447 14.319 5.597 192 H GLY 30 H GLY 30 27.221 13.925 8.136 193 1HA GLY 30 2HA GLY 30 27.985 15.405 9.801 194 2HA GLY 30 1HA GLY 30 29.618 14.802 9.559 195 H ALA 31 H ALA 31 29.444 17.412 9.789 196 HA ALA 31 HA ALA 31 29.949 19.406 8.851 197 1HB ALA 31 1HB ALA 31 30.765 17.737 6.476 198 2HB ALA 31 2HB ALA 31 31.784 18.133 7.862 199 3HB ALA 31 3HB ALA 31 31.231 19.412 6.781 200 H ALA 32 H ALA 32 29.736 20.491 6.342 201 HA ALA 32 HA ALA 32 26.834 20.462 5.943 202 1HB ALA 32 1HB ALA 32 28.901 22.397 4.888 203 2HB ALA 32 2HB ALA 32 27.927 22.629 6.340 204 3HB ALA 32 3HB ALA 32 27.150 22.563 4.758 205 H GLY 33 H GLY 33 26.164 19.020 4.497 206 1HA GLY 33 2HA GLY 33 27.848 18.513 2.139 207 2HA GLY 33 1HA GLY 33 26.671 17.382 2.797 208 H THR 34 H THR 34 27.029 20.484 1.170 209 HA THR 34 HA THR 34 24.284 20.862 0.605 210 HB THR 34 HB THR 34 26.637 22.012 -0.912 211 HG1 THR 34 1HG THR 34 25.498 22.611 1.605 212 1HG2 THR 34 1HG2 THR 34 24.483 22.346 -2.010 213 2HG2 THR 34 2HG2 THR 34 25.086 23.869 -1.351 214 3HG2 THR 34 3HG2 THR 34 23.808 22.988 -0.514 215 H ALA 35 H ALA 35 23.177 19.424 -0.510 216 HA ALA 35 HA ALA 35 24.439 18.087 -2.808 217 1HB ALA 35 1HB ALA 35 22.847 16.291 -2.458 218 2HB ALA 35 2HB ALA 35 22.071 17.204 -1.164 219 3HB ALA 35 3HB ALA 35 23.723 16.624 -0.964 220 HA PRO 36 HA PRO 36 21.646 19.961 -5.704 221 1HB PRO 36 2HB PRO 36 21.346 17.237 -6.849 222 2HB PRO 36 1HB PRO 36 21.854 18.735 -7.633 223 1HG PRO 36 2HG PRO 36 23.623 16.818 -7.064 224 2HG PRO 36 1HG PRO 36 24.041 18.533 -6.903 225 1HD PRO 36 2HD PRO 36 23.363 16.542 -4.781 226 2HD PRO 36 1HD PRO 36 24.560 17.852 -4.759 227 H THR 37 H THR 37 19.527 20.377 -5.589 228 HA THR 37 HA THR 37 17.843 18.755 -3.926 229 HB THR 37 HB THR 37 16.119 20.551 -4.651 230 HG1 THR 37 1HG THR 37 17.212 22.485 -5.405 231 1HG2 THR 37 1HG2 THR 37 17.208 20.510 -2.462 232 2HG2 THR 37 2HG2 THR 37 17.053 22.164 -3.057 233 3HG2 THR 37 3HG2 THR 37 18.610 21.338 -3.137 234 H ALA 38 H ALA 38 16.925 16.980 -4.699 235 HA ALA 38 HA ALA 38 15.890 17.031 -7.460 236 1HB ALA 38 1HB ALA 38 16.241 14.617 -7.532 237 2HB ALA 38 2HB ALA 38 16.875 14.654 -5.887 238 3HB ALA 38 3HB ALA 38 17.748 15.467 -7.187 239 HA PRO 39 HA PRO 39 12.089 16.538 -5.008 240 1HB PRO 39 2HB PRO 39 10.764 17.700 -7.316 241 2HB PRO 39 1HB PRO 39 10.909 18.355 -5.683 242 1HG PRO 39 2HG PRO 39 12.161 19.438 -7.850 243 2HG PRO 39 1HG PRO 39 12.783 19.565 -6.195 244 1HD PRO 39 2HD PRO 39 13.622 17.722 -8.402 245 2HD PRO 39 1HD PRO 39 14.618 18.579 -7.205 246 H GLN 40 H GLN 40 11.609 14.409 -5.083 247 HA GLN 40 HA GLN 40 11.267 13.076 -7.635 248 1HB GLN 40 2HB GLN 40 11.032 12.000 -4.816 249 2HB GLN 40 1HB GLN 40 11.000 11.033 -6.284 250 1HG GLN 40 2HG GLN 40 13.285 11.735 -6.800 251 2HG GLN 40 1HG GLN 40 13.319 12.700 -5.325 252 1HE2 GLN 40 1HE2 GLN 40 15.030 10.489 -6.136 253 2HE2 GLN 40 2HE2 GLN 40 14.879 9.280 -4.895 254 HA PRO 41 HA PRO 41 6.890 13.990 -7.606 255 1HB PRO 41 2HB PRO 41 6.315 12.483 -9.823 256 2HB PRO 41 1HB PRO 41 6.959 14.127 -9.889 257 1HG PRO 41 2HG PRO 41 8.392 11.515 -10.165 258 2HG PRO 41 1HG PRO 41 8.609 13.016 -11.084 259 1HD PRO 41 2HD PRO 41 10.291 12.295 -9.108 260 2HD PRO 41 1HD PRO 41 9.889 13.995 -9.425 261 H THR 42 H THR 42 5.291 13.014 -6.555 262 HA THR 42 HA THR 42 5.659 10.303 -5.640 263 HB THR 42 HB THR 42 3.295 12.119 -5.141 264 HG1 THR 42 1HG THR 42 5.830 12.445 -4.383 265 1HG2 THR 42 1HG2 THR 42 4.397 9.759 -3.609 266 2HG2 THR 42 2HG2 THR 42 2.911 9.778 -4.559 267 3HG2 THR 42 3HG2 THR 42 3.037 10.764 -3.102 268 H ALA 43 H ALA 43 5.376 8.925 -7.327 269 HA ALA 43 HA ALA 43 2.871 9.076 -8.842 270 1HB ALA 43 1HB ALA 43 4.925 8.963 -10.168 271 2HB ALA 43 2HB ALA 43 3.918 7.537 -10.421 272 3HB ALA 43 3HB ALA 43 5.345 7.436 -9.391 273 H ALA 44 H ALA 44 1.892 6.924 -9.405 274 HA ALA 44 HA ALA 44 2.260 4.852 -7.388 275 1HB ALA 44 1HB ALA 44 0.514 6.265 -6.427 276 2HB ALA 44 2HB ALA 44 -0.148 4.708 -6.925 277 3HB ALA 44 3HB ALA 44 -0.422 6.140 -7.917 278 HA PRO 45 HA PRO 45 1.711 3.312 -11.643 279 1HB PRO 45 2HB PRO 45 3.736 1.568 -11.641 280 2HB PRO 45 1HB PRO 45 4.011 3.299 -11.835 281 1HG PRO 45 2HG PRO 45 4.348 1.585 -9.408 282 2HG PRO 45 1HG PRO 45 5.378 2.898 -10.005 283 1HD PRO 45 2HD PRO 45 3.517 3.162 -7.987 284 2HD PRO 45 1HD PRO 45 4.110 4.503 -8.989 285 H SER 46 H SER 46 1.956 1.537 -8.625 286 HA SER 46 HA SER 46 -0.051 -0.330 -9.542 287 1HB SER 46 2HB SER 46 2.662 -1.348 -8.643 288 2HB SER 46 1HB SER 46 1.255 -2.342 -9.021 289 HG SER 46 HG SER 46 1.630 -0.792 -11.105 290 H ILE 47 H ILE 47 -1.301 -1.058 -7.890 291 HA ILE 47 HA ILE 47 -0.559 -0.267 -5.175 292 HB ILE 47 HB ILE 47 -3.150 -1.345 -6.290 293 1HG1 ILE 47 2HG1 ILE 47 -2.694 0.981 -6.913 294 2HG1 ILE 47 1HG1 ILE 47 -4.030 0.891 -5.770 295 1HG2 ILE 47 1HG2 ILE 47 -2.793 -2.126 -4.002 296 2HG2 ILE 47 2HG2 ILE 47 -4.120 -0.967 -4.093 297 3HG2 ILE 47 3HG2 ILE 47 -2.546 -0.461 -3.471 298 1HD1 ILE 47 1HD1 ILE 47 -1.190 1.625 -5.099 299 2HD1 ILE 47 2HD1 ILE 47 -2.542 1.563 -3.967 300 3HD1 ILE 47 3HD1 ILE 47 -2.539 2.748 -5.273 301 H ASP 48 H ASP 48 0.864 -1.771 -4.417 302 HA ASP 48 HA ASP 48 0.608 -4.549 -5.134 303 1HB ASP 48 2HB ASP 48 2.772 -3.131 -4.698 304 2HB ASP 48 1HB ASP 48 2.483 -3.559 -3.016 305 H VAL 49 H VAL 49 -0.888 -5.736 -4.166 306 HA VAL 49 HA VAL 49 -2.012 -4.907 -1.648 307 HB VAL 49 HB VAL 49 -2.676 -7.389 -3.244 308 1HG1 VAL 49 1HG1 VAL 49 -4.296 -5.827 -1.237 309 2HG1 VAL 49 2HG1 VAL 49 -3.541 -7.398 -0.965 310 3HG1 VAL 49 3HG1 VAL 49 -4.845 -7.239 -2.142 311 1HG2 VAL 49 1HG2 VAL 49 -2.874 -5.426 -4.669 312 2HG2 VAL 49 2HG2 VAL 49 -3.883 -4.633 -3.460 313 3HG2 VAL 49 3HG2 VAL 49 -4.463 -6.083 -4.280 314 H ALA 50 H ALA 50 0.470 -6.988 -2.631 315 HA ALA 50 HA ALA 50 0.176 -9.125 -0.834 316 1HB ALA 50 1HB ALA 50 1.583 -9.197 -2.849 317 2HB ALA 50 2HB ALA 50 2.429 -9.732 -1.397 318 3HB ALA 50 3HB ALA 50 2.737 -8.124 -2.053 319 HA PRO 51 HA PRO 51 3.230 -6.888 2.148 320 1HB PRO 51 2HB PRO 51 3.606 -4.219 1.852 321 2HB PRO 51 1HB PRO 51 4.636 -5.425 1.071 322 1HG PRO 51 2HG PRO 51 2.340 -3.875 -0.063 323 2HG PRO 51 1HG PRO 51 3.921 -4.222 -0.789 324 1HD PRO 51 2HD PRO 51 1.698 -5.614 -1.429 325 2HD PRO 51 1HD PRO 51 3.308 -6.361 -1.405 326 H ILE 52 H ILE 52 0.465 -5.141 0.879 327 HA ILE 52 HA ILE 52 -0.191 -3.687 3.190 328 HB ILE 52 HB ILE 52 -2.000 -4.662 0.973 329 1HG1 ILE 52 2HG1 ILE 52 -0.658 -1.991 1.475 330 2HG1 ILE 52 1HG1 ILE 52 -0.251 -3.135 0.199 331 1HG2 ILE 52 1HG2 ILE 52 -3.589 -2.954 1.759 332 2HG2 ILE 52 2HG2 ILE 52 -2.543 -2.628 3.141 333 3HG2 ILE 52 3HG2 ILE 52 -3.311 -4.206 2.969 334 1HD1 ILE 52 1HD1 ILE 52 -1.558 -1.273 -0.660 335 2HD1 ILE 52 2HD1 ILE 52 -2.859 -1.645 0.475 336 3HD1 ILE 52 3HD1 ILE 52 -2.450 -2.788 -0.807 337 H LEU 53 H LEU 53 -1.529 -6.790 1.996 338 HA LEU 53 HA LEU 53 -3.178 -6.981 4.346 339 1HB LEU 53 2HB LEU 53 -2.703 -8.918 2.091 340 2HB LEU 53 1HB LEU 53 -3.827 -9.199 3.407 341 HG LEU 53 HG LEU 53 -3.994 -7.052 1.304 342 1HD1 LEU 53 1HD1 LEU 53 -6.102 -8.160 0.738 343 2HD1 LEU 53 2HD1 LEU 53 -5.800 -9.369 1.987 344 3HD1 LEU 53 3HD1 LEU 53 -4.733 -9.263 0.587 345 1HD2 LEU 53 1HD2 LEU 53 -6.078 -6.367 2.414 346 2HD2 LEU 53 2HD2 LEU 53 -4.662 -6.107 3.433 347 3HD2 LEU 53 3HD2 LEU 53 -5.727 -7.481 3.737 348 H ASP 54 H ASP 54 -0.368 -8.770 3.105 349 HA ASP 54 HA ASP 54 -0.265 -10.771 5.031 350 1HB ASP 54 2HB ASP 54 1.107 -10.852 3.035 351 2HB ASP 54 1HB ASP 54 2.001 -9.426 3.547 352 H LYS 55 H LYS 55 0.862 -7.468 5.193 353 HA LYS 55 HA LYS 55 2.089 -8.030 7.795 354 1HB LYS 55 2HB LYS 55 2.586 -5.727 5.902 355 2HB LYS 55 1HB LYS 55 3.481 -6.078 7.386 356 1HG LYS 55 2HG LYS 55 4.370 -8.069 6.509 357 2HG LYS 55 1HG LYS 55 3.232 -8.077 5.167 358 1HD LYS 55 2HD LYS 55 4.388 -5.875 4.481 359 2HD LYS 55 1HD LYS 55 5.686 -6.418 5.555 360 1HE LYS 55 2HE LYS 55 4.554 -7.843 3.158 361 2HE LYS 55 1HE LYS 55 6.189 -7.209 3.351 362 1HZ LYS 55 1HZ LYS 55 4.969 -9.537 4.740 363 2HZ LYS 55 2HZ LYS 55 6.446 -8.851 5.218 364 3HZ LYS 55 3HZ LYS 55 6.291 -9.541 3.675 365 H ALA 56 H ALA 56 -0.701 -6.812 6.535 366 HA ALA 56 HA ALA 56 -1.219 -5.087 8.831 367 1HB ALA 56 1HB ALA 56 -3.488 -4.904 7.927 368 2HB ALA 56 2HB ALA 56 -3.093 -6.090 6.683 369 3HB ALA 56 3HB ALA 56 -2.284 -4.522 6.693 370 H VAL 57 H VAL 57 -1.616 -8.330 7.725 371 HA VAL 57 HA VAL 57 -3.485 -9.232 9.641 372 HB VAL 57 HB VAL 57 -1.431 -10.675 7.973 373 1HG1 VAL 57 1HG1 VAL 57 -3.488 -11.870 9.819 374 2HG1 VAL 57 2HG1 VAL 57 -1.735 -11.959 9.999 375 3HG1 VAL 57 3HG1 VAL 57 -2.524 -12.762 8.642 376 1HG2 VAL 57 1HG2 VAL 57 -4.439 -10.513 7.844 377 2HG2 VAL 57 2HG2 VAL 57 -3.428 -11.518 6.806 378 3HG2 VAL 57 3HG2 VAL 57 -3.293 -9.761 6.733 379 H LYS 58 H LYS 58 0.054 -9.096 9.599 380 HA LYS 58 HA LYS 58 0.315 -10.352 12.161 381 1HB LYS 58 2HB LYS 58 2.681 -9.719 12.007 382 2HB LYS 58 1HB LYS 58 2.120 -10.486 10.529 383 1HG LYS 58 2HG LYS 58 1.784 -8.116 9.637 384 2HG LYS 58 1HG LYS 58 2.764 -7.599 11.009 385 1HD LYS 58 2HD LYS 58 3.596 -9.573 8.885 386 2HD LYS 58 1HD LYS 58 4.122 -7.893 8.994 387 1HE LYS 58 2HE LYS 58 5.195 -8.344 11.122 388 2HE LYS 58 1HE LYS 58 4.618 -10.010 11.085 389 1HZ LYS 58 1HZ LYS 58 6.464 -8.809 9.091 390 2HZ LYS 58 2HZ LYS 58 5.969 -10.428 9.150 391 3HZ LYS 58 3HZ LYS 58 6.941 -9.791 10.386 392 H ALA 59 H ALA 59 -0.923 -7.468 11.315 393 HA ALA 59 HA ALA 59 -0.197 -6.221 13.877 394 1HB ALA 59 1HB ALA 59 -1.140 -4.155 12.953 395 2HB ALA 59 2HB ALA 59 -1.541 -5.004 11.460 396 3HB ALA 59 3HB ALA 59 0.147 -4.789 11.925 397 H LYS 60 H LYS 60 -2.520 -8.054 12.315 398 HA LYS 60 HA LYS 60 -4.872 -7.075 13.646 399 1HB LYS 60 2HB LYS 60 -4.989 -8.265 11.476 400 2HB LYS 60 1HB LYS 60 -4.347 -9.712 12.236 401 1HG LYS 60 2HG LYS 60 -6.717 -9.934 11.953 402 2HG LYS 60 1HG LYS 60 -6.346 -9.811 13.675 403 1HD LYS 60 2HD LYS 60 -7.001 -7.482 13.683 404 2HD LYS 60 1HD LYS 60 -7.269 -7.523 11.939 405 1HE LYS 60 2HE LYS 60 -9.043 -9.182 12.257 406 2HE LYS 60 1HE LYS 60 -8.776 -9.126 14.000 407 1HZ LYS 60 1HZ LYS 60 -10.653 -7.753 13.294 408 2HZ LYS 60 2HZ LYS 60 -9.614 -6.817 12.339 409 3HZ LYS 60 3HZ LYS 60 -9.435 -6.828 14.023 410 H GLY 61 H GLY 61 -2.926 -10.036 13.894 411 1HA GLY 61 2HA GLY 61 -2.527 -9.897 16.648 412 2HA GLY 61 1HA GLY 61 -3.982 -10.850 16.394 413 H GLU 62 H GLU 62 -3.613 -12.470 14.461 414 HA GLU 62 HA GLU 62 -1.065 -13.863 14.982 415 1HB GLU 62 2HB GLU 62 -2.342 -15.984 14.595 416 2HB GLU 62 1HB GLU 62 -2.832 -15.109 16.039 417 1HG GLU 62 2HG GLU 62 -4.750 -14.198 14.822 418 2HG GLU 62 1HG GLU 62 -4.264 -15.110 13.392 419 H LYS 63 H LYS 63 -0.641 -15.544 13.098 420 HA LYS 63 HA LYS 63 -0.742 -13.907 10.713 421 1HB LYS 63 2HB LYS 63 1.369 -15.039 11.259 422 2HB LYS 63 1HB LYS 63 0.575 -16.601 11.087 423 1HG LYS 63 2HG LYS 63 1.856 -16.050 9.087 424 2HG LYS 63 1HG LYS 63 0.130 -16.125 8.725 425 1HD LYS 63 2HD LYS 63 0.211 -13.559 9.195 426 2HD LYS 63 1HD LYS 63 1.936 -13.747 8.881 427 1HE LYS 63 2HE LYS 63 -0.254 -14.617 6.999 428 2HE LYS 63 1HE LYS 63 0.602 -13.084 6.887 429 1HZ LYS 63 1HZ LYS 63 2.219 -14.070 5.776 430 2HZ LYS 63 2HZ LYS 63 1.328 -15.517 5.772 431 3HZ LYS 63 3HZ LYS 63 2.456 -15.215 7.001 432 H LEU 64 H LEU 64 -2.893 -13.943 10.244 433 HA LEU 64 HA LEU 64 -4.190 -16.325 9.287 434 1HB LEU 64 2HB LEU 64 -4.830 -13.479 8.517 435 2HB LEU 64 1HB LEU 64 -5.919 -14.852 8.585 436 HG LEU 64 HG LEU 64 -4.627 -13.715 11.040 437 1HD1 LEU 64 1HD1 LEU 64 -7.312 -13.010 9.868 438 2HD1 LEU 64 2HD1 LEU 64 -5.909 -11.946 9.935 439 3HD1 LEU 64 3HD1 LEU 64 -6.688 -12.471 11.427 440 1HD2 LEU 64 1HD2 LEU 64 -7.082 -15.405 10.617 441 2HD2 LEU 64 2HD2 LEU 64 -6.487 -14.817 12.169 442 3HD2 LEU 64 3HD2 LEU 64 -5.529 -15.968 11.237 443 H GLU 65 H GLU 65 -4.315 -16.960 7.087 444 HA GLU 65 HA GLU 65 -2.241 -15.671 5.440 445 1HB GLU 65 2HB GLU 65 -1.812 -18.058 6.197 446 2HB GLU 65 1HB GLU 65 -3.121 -18.532 5.119 447 1HG GLU 65 2HG GLU 65 -0.816 -18.750 4.167 448 2HG GLU 65 1HG GLU 65 -1.940 -17.790 3.204 449 H TRP 66 H TRP 66 -3.278 -14.317 4.235 450 HA TRP 66 HA TRP 66 -5.921 -14.728 3.253 451 1HB TRP 66 2HB TRP 66 -5.545 -12.535 2.133 452 2HB TRP 66 1HB TRP 66 -5.180 -12.504 3.855 453 HD1 TRP 66 HD TRP 66 -2.491 -12.562 4.495 454 HE1 TRP 66 1HE TRP 66 -0.495 -11.555 3.224 455 HE3 TRP 66 3HE TRP 66 -4.663 -11.963 -0.092 456 HZ2 TRP 66 2HZ TRP 66 0.086 -10.633 0.631 457 HZ3 TRP 66 3HZ TRP 66 -3.315 -11.009 -1.914 458 HH2 TRP 66 HH TRP 66 -0.988 -10.357 -1.557 459 H ARG 67 H ARG 67 -2.795 -15.470 2.093 460 HA ARG 67 HA ARG 67 -3.249 -15.400 -0.687 461 1HB ARG 67 2HB ARG 67 -1.360 -17.058 0.985 462 2HB ARG 67 1HB ARG 67 -1.334 -17.022 -0.774 463 1HG ARG 67 2HG ARG 67 -0.706 -14.739 -0.805 464 2HG ARG 67 1HG ARG 67 -1.027 -14.562 0.922 465 1HD ARG 67 2HD ARG 67 0.811 -16.033 1.456 466 2HD ARG 67 1HD ARG 67 1.088 -16.358 -0.253 467 HE ARG 67 HE ARG 67 2.045 -14.248 -0.494 468 1HH1 ARG 67 1HH1 ARG 67 0.824 -14.714 2.770 469 2HH1 ARG 67 2HH1 ARG 67 1.800 -13.432 3.450 470 1HH2 ARG 67 1HH2 ARG 67 3.333 -12.573 0.403 471 2HH2 ARG 67 2HH2 ARG 67 3.231 -12.236 2.103 472 H THR 68 H THR 68 -4.050 -17.724 1.789 473 HA THR 68 HA THR 68 -5.110 -19.528 -0.280 474 HB THR 68 HB THR 68 -5.119 -21.259 1.518 475 HG1 THR 68 1HG THR 68 -5.136 -19.983 3.367 476 1HG2 THR 68 1HG2 THR 68 -3.256 -21.113 -0.063 477 2HG2 THR 68 2HG2 THR 68 -2.695 -21.621 1.529 478 3HG2 THR 68 3HG2 THR 68 -2.441 -19.959 0.994 479 H SER 69 H SER 69 -5.838 -17.998 2.823 480 HA SER 69 HA SER 69 -8.560 -19.061 2.733 481 1HB SER 69 2HB SER 69 -7.162 -17.631 5.002 482 2HB SER 69 1HB SER 69 -8.640 -18.587 5.092 483 HG SER 69 HG SER 69 -6.291 -19.480 5.563 484 H ILE 70 H ILE 70 -10.136 -17.820 2.006 485 HA ILE 70 HA ILE 70 -9.735 -15.010 1.551 486 HB ILE 70 HB ILE 70 -11.084 -16.459 0.027 487 1HG1 ILE 70 2HG1 ILE 70 -12.882 -14.798 -0.348 488 2HG1 ILE 70 1HG1 ILE 70 -12.520 -14.080 1.220 489 1HG2 ILE 70 1HG2 ILE 70 -13.402 -16.984 0.619 490 2HG2 ILE 70 2HG2 ILE 70 -13.119 -16.374 2.248 491 3HG2 ILE 70 3HG2 ILE 70 -12.255 -17.802 1.679 492 1HD1 ILE 70 1HD1 ILE 70 -10.255 -13.554 0.429 493 2HD1 ILE 70 2HD1 ILE 70 -11.513 -12.783 -0.540 494 3HD1 ILE 70 3HD1 ILE 70 -10.679 -14.211 -1.153 495 H VAL 71 H VAL 71 -11.209 -16.992 3.973 496 HA VAL 71 HA VAL 71 -12.787 -14.970 5.206 497 HB VAL 71 HB VAL 71 -13.276 -17.351 5.515 498 1HG1 VAL 71 1HG1 VAL 71 -11.024 -18.237 5.516 499 2HG1 VAL 71 2HG1 VAL 71 -11.880 -18.742 6.972 500 3HG1 VAL 71 3HG1 VAL 71 -10.689 -17.445 7.056 501 1HG2 VAL 71 1HG2 VAL 71 -12.549 -15.970 8.098 502 2HG2 VAL 71 2HG2 VAL 71 -13.646 -17.342 7.939 503 3HG2 VAL 71 3HG2 VAL 71 -14.062 -15.791 7.209 504 H ASP 72 H ASP 72 -9.450 -15.855 5.343 505 HA ASP 72 HA ASP 72 -8.893 -14.785 7.919 506 1HB ASP 72 2HB ASP 72 -7.268 -15.843 5.664 507 2HB ASP 72 1HB ASP 72 -6.459 -14.826 6.852 508 H LEU 73 H LEU 73 -8.467 -13.519 4.611 509 HA LEU 73 HA LEU 73 -7.384 -11.051 5.561 510 1HB LEU 73 2HB LEU 73 -7.745 -10.237 3.246 511 2HB LEU 73 1HB LEU 73 -6.802 -11.708 3.344 512 HG LEU 73 HG LEU 73 -9.134 -12.854 2.882 513 1HD1 LEU 73 1HD1 LEU 73 -9.492 -10.131 1.640 514 2HD1 LEU 73 2HD1 LEU 73 -10.441 -10.801 2.967 515 3HD1 LEU 73 3HD1 LEU 73 -10.519 -11.540 1.368 516 1HD2 LEU 73 1HD2 LEU 73 -7.181 -13.081 1.482 517 2HD2 LEU 73 2HD2 LEU 73 -7.457 -11.484 0.788 518 3HD2 LEU 73 3HD2 LEU 73 -8.603 -12.790 0.481 519 H MET 74 H MET 74 -10.563 -12.288 4.968 520 HA MET 74 HA MET 74 -11.982 -9.871 4.867 521 1HB MET 74 2HB MET 74 -13.001 -11.989 4.233 522 2HB MET 74 1HB MET 74 -12.838 -12.591 5.875 523 1HG MET 74 2HG MET 74 -14.420 -10.960 6.672 524 2HG MET 74 1HG MET 74 -14.534 -10.240 5.070 525 1HE MET 74 1HE MET 74 -14.356 -14.080 6.012 526 2HE MET 74 2HE MET 74 -16.075 -14.454 6.146 527 3HE MET 74 3HE MET 74 -15.322 -13.359 7.302 528 H LYS 75 H LYS 75 -11.289 -12.013 7.626 529 HA LYS 75 HA LYS 75 -12.512 -10.324 9.548 530 1HB LYS 75 2HB LYS 75 -11.460 -11.771 11.205 531 2HB LYS 75 1HB LYS 75 -12.138 -12.730 9.897 532 1HG LYS 75 2HG LYS 75 -9.885 -12.891 8.898 533 2HG LYS 75 1HG LYS 75 -9.240 -12.017 10.283 534 1HD LYS 75 2HD LYS 75 -8.822 -14.287 10.725 535 2HD LYS 75 1HD LYS 75 -10.220 -13.873 11.716 536 1HE LYS 75 2HE LYS 75 -11.667 -15.109 10.431 537 2HE LYS 75 1HE LYS 75 -10.665 -14.977 8.986 538 1HZ LYS 75 1HZ LYS 75 -9.838 -16.539 11.366 539 2HZ LYS 75 2HZ LYS 75 -9.181 -16.595 9.797 540 3HZ LYS 75 3HZ LYS 75 -10.732 -17.222 10.095 541 H ALA 76 H ALA 76 -9.246 -10.584 8.277 542 HA ALA 76 HA ALA 76 -7.751 -9.283 10.201 543 1HB ALA 76 1HB ALA 76 -6.828 -10.431 8.233 544 2HB ALA 76 2HB ALA 76 -6.141 -8.821 8.456 545 3HB ALA 76 3HB ALA 76 -7.365 -9.095 7.216 546 H LEU 77 H LEU 77 -9.351 -7.792 7.359 547 HA LEU 77 HA LEU 77 -8.530 -5.177 7.996 548 1HB LEU 77 2HB LEU 77 -10.656 -6.273 6.207 549 2HB LEU 77 1HB LEU 77 -10.605 -4.551 6.525 550 HG LEU 77 HG LEU 77 -9.451 -4.929 4.469 551 1HD1 LEU 77 1HD1 LEU 77 -7.201 -4.129 4.963 552 2HD1 LEU 77 2HD1 LEU 77 -7.435 -4.521 6.666 553 3HD1 LEU 77 3HD1 LEU 77 -8.424 -3.275 5.904 554 1HD2 LEU 77 1HD2 LEU 77 -7.557 -6.440 4.250 555 2HD2 LEU 77 2HD2 LEU 77 -9.012 -7.317 4.733 556 3HD2 LEU 77 3HD2 LEU 77 -7.762 -6.956 5.925 557 H ASP 78 H ASP 78 -11.848 -6.543 8.395 558 HA ASP 78 HA ASP 78 -12.188 -5.224 10.910 559 1HB ASP 78 2HB ASP 78 -12.238 -3.272 9.381 560 2HB ASP 78 1HB ASP 78 -13.593 -3.995 8.526 561 H ILE 79 H ILE 79 -12.980 -7.749 9.044 562 HA ILE 79 HA ILE 79 -15.883 -7.442 9.295 563 HB ILE 79 HB ILE 79 -14.382 -9.536 7.720 564 1HG1 ILE 79 2HG1 ILE 79 -13.987 -7.272 6.848 565 2HG1 ILE 79 1HG1 ILE 79 -15.010 -8.201 5.752 566 1HG2 ILE 79 1HG2 ILE 79 -17.293 -8.753 7.796 567 2HG2 ILE 79 2HG2 ILE 79 -16.594 -10.287 8.310 568 3HG2 ILE 79 3HG2 ILE 79 -16.579 -9.839 6.607 569 1HD1 ILE 79 1HD1 ILE 79 -15.791 -5.908 5.969 570 2HD1 ILE 79 2HD1 ILE 79 -15.954 -6.114 7.714 571 3HD1 ILE 79 3HD1 ILE 79 -16.979 -7.039 6.619 572 H ASP 80 H ASP 80 -17.183 -8.862 10.323 573 HA ASP 80 HA ASP 80 -16.011 -9.873 12.732 574 1HB ASP 80 2HB ASP 80 -18.877 -10.100 11.800 575 2HB ASP 80 1HB ASP 80 -18.291 -10.253 13.451 576 H SER 81 H SER 81 -16.665 -11.263 9.744 577 HA SER 81 HA SER 81 -16.989 -13.328 8.894 578 1HB SER 81 2HB SER 81 -15.588 -15.143 9.905 579 2HB SER 81 1HB SER 81 -14.708 -13.663 9.546 580 HG SER 81 HG SER 81 -15.643 -13.526 12.047 581 H SER 82 H SER 82 -18.933 -12.386 10.908 582 HA SER 82 HA SER 82 -19.857 -14.797 12.204 583 1HB SER 82 2HB SER 82 -20.045 -12.530 13.269 584 2HB SER 82 1HB SER 82 -21.209 -12.091 12.020 585 HG SER 82 HG SER 82 -21.476 -13.815 14.203 586 H LEU 83 H LEU 83 -22.620 -14.552 11.926 587 HA LEU 83 HA LEU 83 -23.041 -15.978 9.532 588 1HB LEU 83 2HB LEU 83 -24.445 -15.928 11.715 589 2HB LEU 83 1HB LEU 83 -25.245 -14.545 10.994 590 HG LEU 83 HG LEU 83 -26.476 -16.695 10.708 591 1HD1 LEU 83 1HD1 LEU 83 -26.872 -14.866 9.148 592 2HD1 LEU 83 2HD1 LEU 83 -26.990 -16.429 8.336 593 3HD1 LEU 83 3HD1 LEU 83 -25.547 -15.434 8.132 594 1HD2 LEU 83 1HD2 LEU 83 -24.106 -17.418 8.992 595 2HD2 LEU 83 2HD2 LEU 83 -25.630 -18.306 9.041 596 3HD2 LEU 83 3HD2 LEU 83 -24.616 -18.211 10.483 597 H SER 84 H SER 84 -23.781 -12.617 10.409 598 HA SER 84 HA SER 84 -25.086 -11.824 8.100 599 1HB SER 84 2HB SER 84 -23.160 -10.100 9.664 600 2HB SER 84 1HB SER 84 -24.575 -9.573 8.752 601 HG SER 84 HG SER 84 -25.813 -10.914 10.288 602 H ALA 85 H ALA 85 -21.630 -12.061 8.741 603 HA ALA 85 HA ALA 85 -20.766 -10.700 6.408 604 1HB ALA 85 1HB ALA 85 -19.362 -10.916 8.395 605 2HB ALA 85 2HB ALA 85 -18.555 -11.559 6.965 606 3HB ALA 85 3HB ALA 85 -19.272 -12.659 8.144 607 H ARG 86 H ARG 86 -20.679 -14.170 7.240 608 HA ARG 86 HA ARG 86 -19.780 -15.017 4.720 609 1HB ARG 86 2HB ARG 86 -20.348 -17.261 5.446 610 2HB ARG 86 1HB ARG 86 -19.611 -16.375 6.772 611 1HG ARG 86 2HG ARG 86 -21.930 -15.923 7.625 612 2HG ARG 86 1HG ARG 86 -22.516 -17.056 6.405 613 1HD ARG 86 2HD ARG 86 -22.272 -18.239 8.473 614 2HD ARG 86 1HD ARG 86 -21.003 -18.780 7.373 615 HE ARG 86 HE ARG 86 -20.397 -16.680 9.329 616 1HH1 ARG 86 1HH1 ARG 86 -19.965 -19.986 8.222 617 2HH1 ARG 86 2HH1 ARG 86 -18.564 -20.261 9.223 618 1HH2 ARG 86 1HH2 ARG 86 -18.562 -17.063 10.656 619 2HH2 ARG 86 2HH2 ARG 86 -17.789 -18.623 10.610 620 H LYS 87 H LYS 87 -22.953 -14.266 5.898 621 HA LYS 87 HA LYS 87 -24.403 -15.689 3.908 622 1HB LYS 87 2HB LYS 87 -25.412 -15.041 6.059 623 2HB LYS 87 1HB LYS 87 -25.269 -13.346 5.614 624 1HG LYS 87 2HG LYS 87 -27.530 -14.066 5.269 625 2HG LYS 87 1HG LYS 87 -26.778 -13.756 3.704 626 1HD LYS 87 2HD LYS 87 -27.917 -15.764 3.380 627 2HD LYS 87 1HD LYS 87 -26.257 -16.271 3.687 628 1HE LYS 87 2HE LYS 87 -26.814 -16.764 6.001 629 2HE LYS 87 1HE LYS 87 -28.465 -16.205 5.737 630 1HZ LYS 87 1HZ LYS 87 -28.577 -17.982 3.959 631 2HZ LYS 87 2HZ LYS 87 -28.553 -18.523 5.564 632 3HZ LYS 87 3HZ LYS 87 -27.149 -18.613 4.621 633 H GLU 88 H GLU 88 -23.411 -12.267 4.251 634 HA GLU 88 HA GLU 88 -24.748 -11.623 1.799 635 1HB GLU 88 2HB GLU 88 -24.016 -9.370 2.067 636 2HB GLU 88 1HB GLU 88 -24.541 -9.961 3.632 637 1HG GLU 88 2HG GLU 88 -22.354 -10.047 4.454 638 2HG GLU 88 1HG GLU 88 -21.652 -9.938 2.839 639 H LEU 89 H LEU 89 -21.330 -11.985 2.738 640 HA LEU 89 HA LEU 89 -20.218 -11.092 0.350 641 1HB LEU 89 2HB LEU 89 -18.914 -11.511 2.365 642 2HB LEU 89 1HB LEU 89 -19.193 -13.232 2.215 643 HG LEU 89 HG LEU 89 -17.847 -13.329 0.204 644 1HD1 LEU 89 1HD1 LEU 89 -17.437 -10.360 0.535 645 2HD1 LEU 89 2HD1 LEU 89 -18.443 -11.116 -0.697 646 3HD1 LEU 89 3HD1 LEU 89 -16.702 -11.394 -0.688 647 1HD2 LEU 89 1HD2 LEU 89 -16.707 -13.520 2.349 648 2HD2 LEU 89 2HD2 LEU 89 -16.486 -11.770 2.398 649 3HD2 LEU 89 3HD2 LEU 89 -15.676 -12.728 1.157 650 H ALA 90 H ALA 90 -21.470 -14.278 1.179 651 HA ALA 90 HA ALA 90 -20.580 -15.547 -1.201 652 1HB ALA 90 1HB ALA 90 -22.077 -17.360 -0.572 653 2HB ALA 90 2HB ALA 90 -22.828 -16.330 0.645 654 3HB ALA 90 3HB ALA 90 -21.140 -16.809 0.818 655 H LYS 91 H LYS 91 -23.655 -14.024 -0.256 656 HA LYS 91 HA LYS 91 -25.026 -14.952 -2.580 657 1HB LYS 91 2HB LYS 91 -26.917 -13.705 -1.792 658 2HB LYS 91 1HB LYS 91 -26.149 -14.470 -0.409 659 1HG LYS 91 2HG LYS 91 -25.040 -12.317 0.106 660 2HG LYS 91 1HG LYS 91 -25.934 -11.580 -1.223 661 1HD LYS 91 2HD LYS 91 -28.045 -12.248 -0.103 662 2HD LYS 91 1HD LYS 91 -27.090 -12.833 1.262 663 1HE LYS 91 2HE LYS 91 -27.834 -10.645 1.823 664 2HE LYS 91 1HE LYS 91 -26.116 -10.527 1.446 665 1HZ LYS 91 1HZ LYS 91 -26.756 -9.779 -0.816 666 2HZ LYS 91 2HZ LYS 91 -27.254 -8.722 0.414 667 3HZ LYS 91 3HZ LYS 91 -28.382 -9.759 -0.312 668 H GLU 92 H GLU 92 -23.232 -12.051 -1.821 669 HA GLU 92 HA GLU 92 -24.332 -10.471 -3.941 670 1HB GLU 92 2HB GLU 92 -21.662 -10.015 -2.605 671 2HB GLU 92 1HB GLU 92 -22.683 -8.828 -3.397 672 1HG GLU 92 2HG GLU 92 -23.284 -10.242 -0.811 673 2HG GLU 92 1HG GLU 92 -22.728 -8.582 -0.979 674 H LEU 93 H LEU 93 -21.538 -12.545 -3.516 675 HA LEU 93 HA LEU 93 -20.340 -11.983 -6.033 676 1HB LEU 93 2HB LEU 93 -20.083 -14.369 -4.211 677 2HB LEU 93 1HB LEU 93 -19.089 -14.101 -5.626 678 HG LEU 93 HG LEU 93 -19.185 -12.285 -3.216 679 1HD1 LEU 93 1HD1 LEU 93 -18.182 -14.422 -2.659 680 2HD1 LEU 93 2HD1 LEU 93 -16.947 -13.165 -2.740 681 3HD1 LEU 93 3HD1 LEU 93 -17.125 -14.312 -4.066 682 1HD2 LEU 93 1HD2 LEU 93 -18.625 -11.086 -5.254 683 2HD2 LEU 93 2HD2 LEU 93 -17.396 -12.290 -5.646 684 3HD2 LEU 93 3HD2 LEU 93 -17.197 -11.258 -4.230 685 H GLY 94 H GLY 94 -22.767 -14.220 -4.908 686 1HA GLY 94 2HA GLY 94 -24.308 -14.624 -6.986 687 2HA GLY 94 1HA GLY 94 -22.897 -15.523 -7.530 688 H TYR 95 H TYR 95 -22.186 -16.397 -4.880 689 HA TYR 95 HA TYR 95 -22.508 -18.068 -3.406 690 1HB TYR 95 2HB TYR 95 -24.615 -17.049 -2.746 691 2HB TYR 95 1HB TYR 95 -25.439 -17.805 -4.108 692 HD1 TYR 95 1HD TYR 95 -26.244 -20.032 -3.960 693 HD2 TYR 95 2HD TYR 95 -23.724 -18.502 -0.895 694 HE1 TYR 95 1HE TYR 95 -26.724 -22.012 -2.586 695 HE2 TYR 95 2HE TYR 95 -24.195 -20.480 0.486 696 HH TYR 95 HH TYR 95 -25.521 -23.276 -0.707 697 H SER 96 H SER 96 -21.491 -19.765 -4.133 698 HA SER 96 HA SER 96 -23.072 -21.743 -5.601 699 1HB SER 96 2HB SER 96 -21.434 -20.666 -7.171 700 2HB SER 96 1HB SER 96 -20.129 -21.219 -6.125 701 HG SER 96 HG SER 96 -20.473 -23.268 -6.730 702 H GLY 97 H GLY 97 -23.489 -22.841 -3.702 703 1HA GLY 97 2HA GLY 97 -21.316 -24.382 -2.602 704 2HA GLY 97 1HA GLY 97 -21.976 -23.190 -1.491 705 H ASP 98 H ASP 98 -22.137 -26.327 -2.401 706 HA ASP 98 HA ASP 98 -24.661 -26.685 -0.992 707 1HB ASP 98 2HB ASP 98 -25.366 -26.574 -3.329 708 2HB ASP 98 1HB ASP 98 -24.189 -27.811 -3.763 709 H MET 99 H MET 99 -22.519 -28.723 -2.981 710 HA MET 99 HA MET 99 -22.419 -30.663 -0.782 711 1HB MET 99 2HB MET 99 -21.611 -32.241 -2.484 712 2HB MET 99 1HB MET 99 -23.135 -31.505 -2.965 713 1HG MET 99 2HG MET 99 -21.940 -29.972 -4.429 714 2HG MET 99 1HG MET 99 -20.409 -30.691 -3.940 715 1HE MET 99 1HE MET 99 -21.205 -30.350 -6.945 716 2HE MET 99 2HE MET 99 -20.781 -31.920 -7.625 717 3HE MET 99 3HE MET 99 -19.717 -31.152 -6.445 718 H ASN 100 H ASN 100 -20.703 -28.092 -1.602 719 HA ASN 100 HA ASN 100 -18.052 -29.310 -1.539 720 1HB ASN 100 2HB ASN 100 -17.291 -26.939 -1.943 721 2HB ASN 100 1HB ASN 100 -18.314 -27.615 -3.207 722 1HD2 ASN 100 1HD2 ASN 100 -18.082 -25.289 -0.648 723 2HD2 ASN 100 2HD2 ASN 100 -19.532 -24.427 -1.027 724 H ASP 101 H ASP 101 -20.280 -28.245 0.652 725 HA ASP 101 HA ASP 101 -20.255 -27.671 2.854 726 1HB ASP 101 2HB ASP 101 -18.846 -29.844 2.749 727 2HB ASP 101 1HB ASP 101 -17.455 -28.793 2.987 728 H SER 102 H SER 102 -17.802 -27.018 4.402 729 HA SER 102 HA SER 102 -17.542 -24.245 3.557 730 1HB SER 102 2HB SER 102 -16.326 -25.609 5.972 731 2HB SER 102 1HB SER 102 -16.567 -23.878 5.732 732 HG SER 102 HG SER 102 -18.530 -25.887 6.117 733 H ALA 103 H ALA 103 -15.852 -27.195 3.320 734 HA ALA 103 HA ALA 103 -13.172 -26.374 3.384 735 1HB ALA 103 1HB ALA 103 -13.879 -28.719 3.515 736 2HB ALA 103 2HB ALA 103 -12.679 -28.468 2.248 737 3HB ALA 103 3HB ALA 103 -14.381 -28.657 1.825 738 H SER 104 H SER 104 -15.138 -27.118 0.488 739 HA SER 104 HA SER 104 -13.218 -25.854 -1.228 740 1HB SER 104 2HB SER 104 -16.028 -26.707 -1.948 741 2HB SER 104 1HB SER 104 -14.640 -26.541 -3.026 742 HG SER 104 HG SER 104 -13.709 -28.339 -2.122 743 H MET 105 H MET 105 -15.693 -24.709 0.720 744 HA MET 105 HA MET 105 -16.728 -22.613 -0.896 745 1HB MET 105 2HB MET 105 -17.892 -23.477 1.111 746 2HB MET 105 1HB MET 105 -16.609 -22.816 2.118 747 1HG MET 105 2HG MET 105 -17.193 -20.560 1.368 748 2HG MET 105 1HG MET 105 -18.492 -21.229 0.379 749 1HE MET 105 1HE MET 105 -18.397 -21.364 4.993 750 2HE MET 105 2HE MET 105 -17.170 -20.578 4.005 751 3HE MET 105 3HE MET 105 -17.321 -22.335 3.988 752 H ASN 106 H ASN 106 -14.083 -22.851 1.424 753 HA ASN 106 HA ASN 106 -13.366 -20.119 1.433 754 1HB ASN 106 2HB ASN 106 -12.550 -21.784 3.101 755 2HB ASN 106 1HB ASN 106 -11.567 -22.527 1.845 756 1HD2 ASN 106 1HD2 ASN 106 -9.622 -22.148 2.834 757 2HD2 ASN 106 2HD2 ASN 106 -8.952 -20.570 3.031 758 H ILE 107 H ILE 107 -12.814 -22.710 -0.790 759 HA ILE 107 HA ILE 107 -10.591 -21.512 -2.147 760 HB ILE 107 HB ILE 107 -12.384 -23.769 -3.051 761 1HG1 ILE 107 2HG1 ILE 107 -9.703 -23.887 -1.652 762 2HG1 ILE 107 1HG1 ILE 107 -11.249 -24.167 -0.862 763 1HG2 ILE 107 1HG2 ILE 107 -9.639 -22.920 -3.986 764 2HG2 ILE 107 2HG2 ILE 107 -11.143 -22.791 -4.897 765 3HG2 ILE 107 3HG2 ILE 107 -10.487 -24.378 -4.502 766 1HD1 ILE 107 1HD1 ILE 107 -10.173 -26.259 -1.362 767 2HD1 ILE 107 2HD1 ILE 107 -10.044 -25.818 -3.064 768 3HD1 ILE 107 3HD1 ILE 107 -11.631 -26.087 -2.342 769 H TRP 108 H TRP 108 -13.962 -22.196 -3.171 770 HA TRP 108 HA TRP 108 -13.776 -20.844 -5.618 771 1HB TRP 108 2HB TRP 108 -15.577 -22.396 -5.292 772 2HB TRP 108 1HB TRP 108 -16.194 -21.482 -3.917 773 HD1 TRP 108 HD TRP 108 -15.959 -21.295 -7.759 774 HE1 TRP 108 1HE TRP 108 -17.750 -19.646 -8.614 775 HE3 TRP 108 3HE TRP 108 -17.660 -19.550 -3.264 776 HZ2 TRP 108 2HZ TRP 108 -19.629 -17.856 -7.520 777 HZ3 TRP 108 3HZ TRP 108 -19.458 -17.870 -3.256 778 HH2 TRP 108 HH TRP 108 -20.418 -17.041 -5.341 779 H LEU 109 H LEU 109 -14.860 -19.698 -2.457 780 HA LEU 109 HA LEU 109 -15.767 -17.189 -3.436 781 1HB LEU 109 2HB LEU 109 -16.444 -18.423 -1.296 782 2HB LEU 109 1HB LEU 109 -14.972 -17.780 -0.594 783 HG LEU 109 HG LEU 109 -16.757 -15.794 -1.862 784 1HD1 LEU 109 1HD1 LEU 109 -18.231 -15.724 0.111 785 2HD1 LEU 109 2HD1 LEU 109 -17.501 -17.223 0.686 786 3HD1 LEU 109 3HD1 LEU 109 -18.419 -17.210 -0.821 787 1HD2 LEU 109 1HD2 LEU 109 -16.129 -14.515 0.126 788 2HD2 LEU 109 2HD2 LEU 109 -14.711 -15.149 -0.712 789 3HD2 LEU 109 3HD2 LEU 109 -15.284 -15.927 0.764 790 H HIS 110 H HIS 110 -12.703 -18.428 -2.379 791 HA HIS 110 HA HIS 110 -11.371 -15.943 -2.010 792 1HB HIS 110 2HB HIS 110 -10.548 -18.156 -1.173 793 2HB HIS 110 1HB HIS 110 -10.173 -18.596 -2.834 794 HD1 HIS 110 1HD HIS 110 -7.917 -17.933 -3.681 795 HD2 HIS 110 2HD HIS 110 -8.965 -15.924 -0.201 796 HE1 HIS 110 1HE HIS 110 -5.850 -16.693 -2.971 797 HE2 HIS 110 2HE HIS 110 -6.454 -15.654 -0.751 798 H LYS 111 H LYS 111 -12.230 -17.854 -4.751 799 HA LYS 111 HA LYS 111 -10.476 -16.608 -6.641 800 1HB LYS 111 2HB LYS 111 -13.080 -18.080 -7.118 801 2HB LYS 111 1HB LYS 111 -11.856 -17.725 -8.325 802 1HG LYS 111 2HG LYS 111 -11.052 -19.313 -5.951 803 2HG LYS 111 1HG LYS 111 -12.050 -20.088 -7.181 804 1HD LYS 111 2HD LYS 111 -9.419 -18.699 -7.676 805 2HD LYS 111 1HD LYS 111 -9.649 -20.447 -7.571 806 1HE LYS 111 2HE LYS 111 -11.297 -20.221 -9.468 807 2HE LYS 111 1HE LYS 111 -10.743 -18.557 -9.648 808 1HZ LYS 111 1HZ LYS 111 -9.545 -19.914 -11.171 809 2HZ LYS 111 2HZ LYS 111 -9.129 -21.025 -9.958 810 3HZ LYS 111 3HZ LYS 111 -8.461 -19.470 -9.938 811 H GLN 112 H GLN 112 -13.932 -16.357 -5.893 812 HA GLN 112 HA GLN 112 -14.493 -14.516 -7.953 813 1HB GLN 112 2HB GLN 112 -16.089 -16.120 -6.785 814 2HB GLN 112 1HB GLN 112 -16.176 -14.931 -5.493 815 1HG GLN 112 2HG GLN 112 -18.046 -14.681 -6.981 816 2HG GLN 112 1HG GLN 112 -16.995 -13.270 -7.090 817 1HE2 GLN 112 1HE2 GLN 112 -16.301 -16.364 -8.562 818 2HE2 GLN 112 2HE2 GLN 112 -16.466 -15.842 -10.200 819 H VAL 113 H VAL 113 -13.859 -14.035 -4.479 820 HA VAL 113 HA VAL 113 -14.522 -11.311 -4.377 821 HB VAL 113 HB VAL 113 -12.493 -12.854 -2.752 822 1HG1 VAL 113 1HG1 VAL 113 -11.926 -10.479 -2.721 823 2HG1 VAL 113 2HG1 VAL 113 -12.565 -10.994 -1.159 824 3HG1 VAL 113 3HG1 VAL 113 -13.586 -10.080 -2.271 825 1HG2 VAL 113 1HG2 VAL 113 -14.221 -12.819 -1.031 826 2HG2 VAL 113 2HG2 VAL 113 -14.806 -13.598 -2.501 827 3HG2 VAL 113 3HG2 VAL 113 -15.301 -11.948 -2.119 828 H MET 114 H MET 114 -11.492 -12.920 -5.263 829 HA MET 114 HA MET 114 -9.937 -10.568 -5.385 830 1HB MET 114 2HB MET 114 -9.604 -13.374 -6.238 831 2HB MET 114 1HB MET 114 -8.647 -12.193 -7.121 832 1HG MET 114 2HG MET 114 -7.393 -13.102 -5.267 833 2HG MET 114 1HG MET 114 -7.695 -11.382 -5.035 834 1HE MET 114 1HE MET 114 -7.044 -11.503 -2.505 835 2HE MET 114 2HE MET 114 -6.676 -13.219 -2.679 836 3HE MET 114 3HE MET 114 -7.716 -12.670 -1.364 837 H SER 115 H SER 115 -12.058 -12.121 -7.692 838 HA SER 115 HA SER 115 -11.257 -10.712 -9.991 839 1HB SER 115 2HB SER 115 -14.005 -11.772 -9.286 840 2HB SER 115 1HB SER 115 -13.448 -11.338 -10.902 841 HG SER 115 HG SER 115 -12.668 -13.274 -11.041 842 H LYS 116 H LYS 116 -13.087 -9.743 -7.212 843 HA LYS 116 HA LYS 116 -13.822 -7.221 -8.540 844 1HB LYS 116 2HB LYS 116 -14.831 -8.543 -6.026 845 2HB LYS 116 1HB LYS 116 -15.171 -6.862 -6.393 846 1HG LYS 116 2HG LYS 116 -17.067 -8.039 -7.075 847 2HG LYS 116 1HG LYS 116 -16.188 -7.696 -8.563 848 1HD LYS 116 2HD LYS 116 -15.351 -9.940 -8.656 849 2HD LYS 116 1HD LYS 116 -15.999 -10.299 -7.054 850 1HE LYS 116 2HE LYS 116 -17.433 -11.257 -8.744 851 2HE LYS 116 1HE LYS 116 -18.276 -9.944 -7.926 852 1HZ LYS 116 1HZ LYS 116 -16.992 -9.831 -10.600 853 2HZ LYS 116 2HZ LYS 116 -17.665 -8.494 -9.811 854 3HZ LYS 116 3HZ LYS 116 -18.654 -9.796 -10.269 855 H LEU 117 H LEU 117 -11.303 -8.429 -6.909 856 HA LEU 117 HA LEU 117 -10.947 -6.080 -5.178 857 1HB LEU 117 2HB LEU 117 -10.915 -8.249 -4.039 858 2HB LEU 117 1HB LEU 117 -9.592 -8.772 -5.066 859 HG LEU 117 HG LEU 117 -8.171 -6.985 -4.098 860 1HD1 LEU 117 1HD1 LEU 117 -10.541 -6.554 -2.286 861 2HD1 LEU 117 2HD1 LEU 117 -9.882 -5.404 -3.448 862 3HD1 LEU 117 3HD1 LEU 117 -8.934 -5.872 -2.037 863 1HD2 LEU 117 1HD2 LEU 117 -9.408 -8.872 -2.094 864 2HD2 LEU 117 2HD2 LEU 117 -7.854 -8.056 -1.919 865 3HD2 LEU 117 3HD2 LEU 117 -8.085 -9.249 -3.197 866 H VAL 118 H VAL 118 -8.830 -8.321 -7.004 867 HA VAL 118 HA VAL 118 -6.775 -6.304 -7.099 868 HB VAL 118 HB VAL 118 -5.430 -7.962 -8.304 869 1HG1 VAL 118 1HG1 VAL 118 -5.466 -8.008 -5.874 870 2HG1 VAL 118 2HG1 VAL 118 -5.309 -9.643 -6.520 871 3HG1 VAL 118 3HG1 VAL 118 -6.864 -9.085 -5.899 872 1HG2 VAL 118 1HG2 VAL 118 -6.310 -10.228 -8.690 873 2HG2 VAL 118 2HG2 VAL 118 -7.165 -9.013 -9.641 874 3HG2 VAL 118 3HG2 VAL 118 -7.909 -9.679 -8.188 875 H ALA 119 H ALA 119 -9.447 -7.024 -8.998 876 HA ALA 119 HA ALA 119 -8.338 -6.280 -11.547 877 1HB ALA 119 1HB ALA 119 -10.621 -6.431 -12.362 878 2HB ALA 119 2HB ALA 119 -11.223 -6.541 -10.708 879 3HB ALA 119 3HB ALA 119 -10.226 -7.837 -11.369 880 H ASN 120 H ASN 120 -8.862 -4.498 -8.879 881 HA ASN 120 HA ASN 120 -9.935 -2.152 -10.245 882 1HB ASN 120 2HB ASN 120 -9.066 -2.540 -7.373 883 2HB ASN 120 1HB ASN 120 -9.724 -1.042 -8.020 884 1HD2 ASN 120 1HD2 ASN 120 -10.392 -4.201 -6.893 885 2HD2 ASN 120 2HD2 ASN 120 -12.120 -4.101 -6.950 886 H GLY 121 H GLY 121 -7.163 -3.493 -10.625 887 1HA GLY 121 2HA GLY 121 -5.334 -2.344 -11.636 888 2HA GLY 121 1HA GLY 121 -5.709 -0.940 -10.646 889 H GLY 122 H GLY 122 -5.894 -3.732 -8.821 890 1HA GLY 122 2HA GLY 122 -3.587 -3.037 -7.296 891 2HA GLY 122 1HA GLY 122 -4.637 -4.422 -7.027 892 H LYS 123 H LYS 123 -1.764 -4.245 -6.906 893 HA LYS 123 HA LYS 123 -0.927 -6.013 -9.093 894 1HB LYS 123 2HB LYS 123 0.495 -4.041 -8.597 895 2HB LYS 123 1HB LYS 123 0.697 -4.607 -6.950 896 1HG LYS 123 2HG LYS 123 1.585 -6.235 -9.313 897 2HG LYS 123 1HG LYS 123 2.611 -5.003 -8.580 898 1HD LYS 123 2HD LYS 123 2.302 -6.211 -6.386 899 2HD LYS 123 1HD LYS 123 1.525 -7.508 -7.295 900 1HE LYS 123 2HE LYS 123 3.811 -8.110 -6.964 901 2HE LYS 123 1HE LYS 123 3.605 -7.689 -8.664 902 1HZ LYS 123 1HZ LYS 123 4.587 -5.558 -8.269 903 2HZ LYS 123 2HZ LYS 123 5.631 -6.745 -7.653 904 3HZ LYS 123 3HZ LYS 123 4.659 -5.837 -6.598 905 H LEU 124 H LEU 124 -0.738 -8.138 -8.720 906 HA LEU 124 HA LEU 124 -0.466 -9.045 -5.968 907 1HB LEU 124 2HB LEU 124 -2.137 -10.797 -6.250 908 2HB LEU 124 1HB LEU 124 -2.833 -9.205 -6.396 909 HG LEU 124 HG LEU 124 -3.949 -10.603 -7.938 910 1HD1 LEU 124 1HD1 LEU 124 -3.591 -9.596 -10.072 911 2HD1 LEU 124 2HD1 LEU 124 -1.974 -9.079 -9.606 912 3HD1 LEU 124 3HD1 LEU 124 -3.385 -8.376 -8.815 913 1HD2 LEU 124 1HD2 LEU 124 -1.282 -11.467 -9.015 914 2HD2 LEU 124 2HD2 LEU 124 -2.857 -11.917 -9.672 915 3HD2 LEU 124 3HD2 LEU 124 -2.393 -12.439 -8.052 916 HA PRO 125 HA PRO 125 2.572 -11.788 -7.736 917 1HB PRO 125 2HB PRO 125 2.111 -13.422 -5.328 918 2HB PRO 125 1HB PRO 125 3.591 -12.628 -5.872 919 1HG PRO 125 2HG PRO 125 2.213 -11.746 -3.742 920 2HG PRO 125 1HG PRO 125 3.059 -10.635 -4.837 921 1HD PRO 125 2HD PRO 125 0.143 -11.301 -4.690 922 2HD PRO 125 1HD PRO 125 0.928 -9.727 -4.943 923 HA PRO 126 HA PRO 126 0.199 -15.074 -9.526 924 1HB PRO 126 2HB PRO 126 2.512 -16.880 -9.385 925 2HB PRO 126 1HB PRO 126 1.716 -16.188 -10.800 926 1HG PRO 126 2HG PRO 126 4.164 -15.399 -10.025 927 2HG PRO 126 1HG PRO 126 3.001 -14.272 -10.751 928 1HD PRO 126 2HD PRO 126 3.712 -14.663 -7.865 929 2HD PRO 126 1HD PRO 126 3.471 -13.152 -8.768 930 H GLU 127 H GLU 127 0.293 -14.980 -6.539 931 HA GLU 127 HA GLU 127 -0.317 -17.819 -6.016 932 1HB GLU 127 2HB GLU 127 0.429 -15.748 -3.948 933 2HB GLU 127 1HB GLU 127 0.300 -17.485 -3.722 934 1HG GLU 127 2HG GLU 127 2.249 -17.811 -5.160 935 2HG GLU 127 1HG GLU 127 2.379 -16.065 -5.374 936 H ILE 128 H ILE 128 -1.526 -14.752 -6.456 937 HA ILE 128 HA ILE 128 -3.612 -14.920 -4.426 938 HB ILE 128 HB ILE 128 -3.127 -12.661 -6.371 939 1HG1 ILE 128 2HG1 ILE 128 -1.075 -12.945 -5.153 940 2HG1 ILE 128 1HG1 ILE 128 -1.922 -11.571 -4.451 941 1HG2 ILE 128 1HG2 ILE 128 -5.312 -12.655 -5.299 942 2HG2 ILE 128 2HG2 ILE 128 -4.321 -11.322 -4.708 943 3HG2 ILE 128 3HG2 ILE 128 -4.547 -12.761 -3.714 944 1HD1 ILE 128 1HD1 ILE 128 -0.936 -12.961 -2.731 945 2HD1 ILE 128 2HD1 ILE 128 -1.828 -14.361 -3.327 946 3HD1 ILE 128 3HD1 ILE 128 -2.695 -12.996 -2.622 947 H LYS 129 H LYS 129 -5.735 -15.110 -4.854 948 HA LYS 129 HA LYS 129 -7.664 -15.642 -5.917 949 1HB LYS 129 2HB LYS 129 -7.192 -13.800 -7.497 950 2HB LYS 129 1HB LYS 129 -6.241 -14.901 -8.483 951 1HG LYS 129 2HG LYS 129 -8.326 -16.303 -8.710 952 2HG LYS 129 1HG LYS 129 -9.202 -14.958 -7.983 953 1HD LYS 129 2HD LYS 129 -9.459 -14.613 -10.281 954 2HD LYS 129 1HD LYS 129 -8.143 -13.525 -9.840 955 1HE LYS 129 2HE LYS 129 -7.755 -16.286 -10.990 956 2HE LYS 129 1HE LYS 129 -7.763 -14.809 -11.948 957 1HZ LYS 129 1HZ LYS 129 -5.513 -15.511 -11.424 958 2HZ LYS 129 2HZ LYS 129 -5.848 -15.441 -9.769 959 3HZ LYS 129 3HZ LYS 129 -5.856 -14.020 -10.689 960 H HIS 130 H HIS 130 -4.721 -16.784 -7.466 961 HA HIS 130 HA HIS 130 -4.037 -18.806 -8.193 962 1HB HIS 130 2HB HIS 130 -4.969 -19.726 -6.093 963 2HB HIS 130 1HB HIS 130 -6.534 -19.910 -6.876 964 HD1 HIS 130 1HD HIS 130 -6.720 -21.765 -8.724 965 HD2 HIS 130 2HD HIS 130 -3.121 -21.716 -6.638 966 HE1 HIS 130 1HE HIS 130 -5.611 -23.967 -9.230 967 HE2 HIS 130 2HE HIS 130 -3.445 -23.932 -7.938 Start of MODEL 19 1 1H MET 1 1HT MET 1 -24.766 -6.357 1.862 2 2H MET 1 2HT MET 1 -23.083 -6.559 1.974 3 3H MET 1 3HT MET 1 -23.929 -7.175 0.634 4 HA MET 1 HA MET 1 -24.427 -5.035 -0.176 5 1HB MET 1 2HB MET 1 -24.660 -4.137 2.239 6 2HB MET 1 1HB MET 1 -22.935 -3.810 2.134 7 1HG MET 1 2HG MET 1 -23.303 -2.360 0.222 8 2HG MET 1 1HG MET 1 -25.031 -2.715 0.269 9 1HE MET 1 1HE MET 1 -25.834 -0.255 0.423 10 2HE MET 1 2HE MET 1 -24.160 0.246 0.184 11 3HE MET 1 3HE MET 1 -25.116 0.952 1.487 12 H SER 2 H SER 2 -21.922 -6.923 0.588 13 HA SER 2 HA SER 2 -20.294 -7.514 -0.905 14 1HB SER 2 2HB SER 2 -20.371 -4.656 -1.882 15 2HB SER 2 1HB SER 2 -19.306 -5.909 -2.514 16 HG SER 2 HG SER 2 -21.989 -6.599 -2.448 17 H ILE 3 H ILE 3 -18.985 -8.038 0.716 18 HA ILE 3 HA ILE 3 -17.559 -6.083 2.226 19 HB ILE 3 HB ILE 3 -17.142 -9.069 2.043 20 1HG1 ILE 3 2HG1 ILE 3 -18.650 -7.285 3.954 21 2HG1 ILE 3 1HG1 ILE 3 -19.301 -8.574 2.951 22 1HG2 ILE 3 1HG2 ILE 3 -16.026 -7.107 4.043 23 2HG2 ILE 3 2HG2 ILE 3 -15.104 -7.920 2.778 24 3HG2 ILE 3 3HG2 ILE 3 -15.831 -8.860 4.082 25 1HD1 ILE 3 1HD1 ILE 3 -18.074 -10.211 4.289 26 2HD1 ILE 3 2HD1 ILE 3 -19.190 -9.252 5.260 27 3HD1 ILE 3 3HD1 ILE 3 -17.464 -8.906 5.305 28 H PHE 4 H PHE 4 -16.925 -7.832 -0.724 29 HA PHE 4 HA PHE 4 -14.167 -7.245 -0.853 30 1HB PHE 4 2HB PHE 4 -14.442 -7.463 -3.344 31 2HB PHE 4 1HB PHE 4 -15.008 -8.844 -2.417 32 HD1 PHE 4 1HD PHE 4 -17.298 -9.492 -2.438 33 HD2 PHE 4 2HD PHE 4 -16.047 -5.942 -4.426 34 HE1 PHE 4 1HE PHE 4 -19.457 -9.392 -3.611 35 HE2 PHE 4 2HE PHE 4 -18.207 -5.834 -5.595 36 HZ PHE 4 HZ PHE 4 -19.913 -7.560 -5.192 37 H GLY 5 H GLY 5 -17.022 -5.356 -1.320 38 1HA GLY 5 2HA GLY 5 -15.598 -3.078 -2.412 39 2HA GLY 5 1HA GLY 5 -17.296 -3.133 -1.952 40 H LYS 6 H LYS 6 -16.361 -4.377 0.672 41 HA LYS 6 HA LYS 6 -16.049 -1.920 2.134 42 1HB LYS 6 2HB LYS 6 -16.142 -4.824 2.971 43 2HB LYS 6 1HB LYS 6 -15.939 -3.505 4.112 44 1HG LYS 6 2HG LYS 6 -18.105 -2.656 3.656 45 2HG LYS 6 1HG LYS 6 -18.290 -3.703 2.248 46 1HD LYS 6 2HD LYS 6 -18.579 -5.616 3.549 47 2HD LYS 6 1HD LYS 6 -17.859 -4.866 4.980 48 1HE LYS 6 2HE LYS 6 -20.214 -5.035 5.334 49 2HE LYS 6 1HE LYS 6 -19.832 -3.336 5.065 50 1HZ LYS 6 1HZ LYS 6 -20.524 -3.666 2.721 51 2HZ LYS 6 2HZ LYS 6 -21.777 -3.868 3.847 52 3HZ LYS 6 3HZ LYS 6 -21.052 -5.230 3.136 53 H ILE 7 H ILE 7 -14.099 -4.844 1.588 54 HA ILE 7 HA ILE 7 -11.939 -3.973 3.188 55 HB ILE 7 HB ILE 7 -10.642 -5.809 2.175 56 1HG1 ILE 7 2HG1 ILE 7 -13.125 -6.350 0.528 57 2HG1 ILE 7 1HG1 ILE 7 -11.659 -5.617 -0.109 58 1HG2 ILE 7 1HG2 ILE 7 -13.440 -6.556 3.009 59 2HG2 ILE 7 2HG2 ILE 7 -12.077 -6.240 4.083 60 3HG2 ILE 7 3HG2 ILE 7 -12.044 -7.636 3.004 61 1HD1 ILE 7 1HD1 ILE 7 -11.746 -7.964 -0.656 62 2HD1 ILE 7 2HD1 ILE 7 -11.907 -8.382 1.051 63 3HD1 ILE 7 3HD1 ILE 7 -10.414 -7.651 0.457 64 H MET 8 H MET 8 -12.730 -3.483 -0.179 65 HA MET 8 HA MET 8 -10.118 -2.855 -1.064 66 1HB MET 8 2HB MET 8 -11.132 -2.028 -3.071 67 2HB MET 8 1HB MET 8 -11.997 -3.472 -2.575 68 1HG MET 8 2HG MET 8 -13.725 -2.112 -3.168 69 2HG MET 8 1HG MET 8 -13.612 -1.754 -1.446 70 1HE MET 8 1HE MET 8 -12.729 -0.531 -5.078 71 2HE MET 8 2HE MET 8 -11.155 -0.580 -4.284 72 3HE MET 8 3HE MET 8 -11.866 0.969 -4.740 73 H SER 9 H SER 9 -12.336 -1.156 0.862 74 HA SER 9 HA SER 9 -11.546 1.503 0.177 75 1HB SER 9 2HB SER 9 -13.729 0.912 1.258 76 2HB SER 9 1HB SER 9 -12.846 0.516 2.732 77 HG SER 9 HG SER 9 -12.307 3.013 1.647 78 H ALA 10 H ALA 10 -10.376 -0.980 2.303 79 HA ALA 10 HA ALA 10 -8.600 0.844 3.713 80 1HB ALA 10 1HB ALA 10 -9.684 -0.903 5.008 81 2HB ALA 10 2HB ALA 10 -7.937 -1.144 5.004 82 3HB ALA 10 3HB ALA 10 -8.968 -2.139 3.977 83 H ILE 11 H ILE 11 -8.537 -1.505 1.144 84 HA ILE 11 HA ILE 11 -5.670 -1.740 1.088 85 HB ILE 11 HB ILE 11 -7.721 -2.599 -0.959 86 1HG1 ILE 11 2HG1 ILE 11 -6.285 -4.180 1.188 87 2HG1 ILE 11 1HG1 ILE 11 -7.982 -3.718 1.220 88 1HG2 ILE 11 1HG2 ILE 11 -5.939 -4.023 -1.866 89 2HG2 ILE 11 2HG2 ILE 11 -4.801 -3.331 -0.710 90 3HG2 ILE 11 3HG2 ILE 11 -5.514 -2.314 -1.961 91 1HD1 ILE 11 1HD1 ILE 11 -8.397 -5.091 -0.758 92 2HD1 ILE 11 2HD1 ILE 11 -7.719 -6.040 0.566 93 3HD1 ILE 11 3HD1 ILE 11 -6.696 -5.555 -0.787 94 H PHE 12 H PHE 12 -8.080 -0.331 -1.151 95 HA PHE 12 HA PHE 12 -5.965 0.947 -2.654 96 1HB PHE 12 2HB PHE 12 -8.966 0.979 -2.993 97 2HB PHE 12 1HB PHE 12 -7.836 1.758 -4.093 98 HD1 PHE 12 1HD PHE 12 -9.227 -1.418 -2.962 99 HD2 PHE 12 2HD PHE 12 -6.403 0.440 -5.550 100 HE1 PHE 12 1HE PHE 12 -9.002 -3.519 -4.221 101 HE2 PHE 12 2HE PHE 12 -6.171 -1.661 -6.809 102 HZ PHE 12 HZ PHE 12 -7.471 -3.642 -6.147 103 H GLY 13 H GLY 13 -7.732 1.697 0.074 104 1HA GLY 13 2HA GLY 13 -7.989 4.536 -0.421 105 2HA GLY 13 1HA GLY 13 -8.374 3.698 1.074 106 H ASP 14 H ASP 14 -5.409 2.604 0.319 107 HA ASP 14 HA ASP 14 -4.137 4.569 2.080 108 1HB ASP 14 2HB ASP 14 -4.044 2.106 2.631 109 2HB ASP 14 1HB ASP 14 -3.040 1.896 1.200 110 H SER 15 H SER 15 -2.962 6.117 1.162 111 HA SER 15 HA SER 15 -1.419 5.434 -1.253 112 1HB SER 15 2HB SER 15 -2.722 8.089 -0.616 113 2HB SER 15 1HB SER 15 -1.731 7.746 -2.033 114 HG SER 15 HG SER 15 -3.490 5.903 -2.141 115 H ALA 16 H ALA 16 -1.278 6.377 1.963 116 HA ALA 16 HA ALA 16 1.514 6.844 1.933 117 1HB ALA 16 1HB ALA 16 0.824 8.992 0.965 118 2HB ALA 16 2HB ALA 16 1.576 9.194 2.548 119 3HB ALA 16 3HB ALA 16 -0.177 9.301 2.386 120 H ALA 17 H ALA 17 -0.214 5.176 3.422 121 HA ALA 17 HA ALA 17 0.318 6.265 6.108 122 1HB ALA 17 1HB ALA 17 -1.683 5.168 6.972 123 2HB ALA 17 2HB ALA 17 -2.082 4.602 5.351 124 3HB ALA 17 3HB ALA 17 -2.088 6.328 5.707 125 H ALA 18 H ALA 18 -0.747 3.127 4.758 126 HA ALA 18 HA ALA 18 1.395 1.842 6.317 127 1HB ALA 18 1HB ALA 18 -1.024 0.614 4.994 128 2HB ALA 18 2HB ALA 18 -0.890 1.037 6.701 129 3HB ALA 18 3HB ALA 18 0.139 -0.225 6.021 130 H SER 19 H SER 19 1.227 3.183 3.481 131 HA SER 19 HA SER 19 1.768 1.390 1.472 132 1HB SER 19 2HB SER 19 3.210 4.021 1.781 133 2HB SER 19 1HB SER 19 2.718 3.221 0.288 134 HG SER 19 HG SER 19 0.487 3.492 1.521 135 HA PRO 20 HA PRO 20 5.556 -0.553 2.827 136 1HB PRO 20 2HB PRO 20 6.183 -1.659 0.386 137 2HB PRO 20 1HB PRO 20 5.063 -2.377 1.548 138 1HG PRO 20 2HG PRO 20 4.483 -0.730 -0.879 139 2HG PRO 20 1HG PRO 20 3.644 -2.172 -0.274 140 1HD PRO 20 2HD PRO 20 2.649 0.297 0.091 141 2HD PRO 20 1HD PRO 20 2.471 -0.970 1.325 142 H GLY 21 H GLY 21 7.005 1.056 3.208 143 1HA GLY 21 2HA GLY 21 8.985 1.559 1.221 144 2HA GLY 21 1HA GLY 21 7.971 2.972 1.477 145 H GLY 22 H GLY 22 9.942 0.600 3.225 146 1HA GLY 22 2HA GLY 22 10.231 2.387 5.488 147 2HA GLY 22 1HA GLY 22 10.933 0.783 5.327 148 H ALA 23 H ALA 23 11.500 4.099 5.200 149 HA ALA 23 HA ALA 23 13.878 3.921 3.557 150 1HB ALA 23 1HB ALA 23 14.119 6.310 3.977 151 2HB ALA 23 2HB ALA 23 12.790 6.249 5.134 152 3HB ALA 23 3HB ALA 23 12.489 5.924 3.427 153 H GLN 24 H GLN 24 15.274 2.580 4.634 154 HA GLN 24 HA GLN 24 16.042 3.223 7.368 155 1HB GLN 24 2HB GLN 24 17.154 1.078 5.548 156 2HB GLN 24 1HB GLN 24 17.396 1.214 7.281 157 1HG GLN 24 2HG GLN 24 14.804 0.619 5.875 158 2HG GLN 24 1HG GLN 24 15.791 -0.517 6.792 159 1HE2 GLN 24 1HE2 GLN 24 15.858 -0.350 9.047 160 2HE2 GLN 24 2HE2 GLN 24 14.620 0.499 9.926 161 H ALA 25 H ALA 25 17.048 5.206 7.141 162 HA ALA 25 HA ALA 25 19.573 5.177 5.621 163 1HB ALA 25 1HB ALA 25 17.800 7.556 6.172 164 2HB ALA 25 2HB ALA 25 17.933 6.708 4.632 165 3HB ALA 25 3HB ALA 25 19.323 7.578 5.283 166 HA PRO 26 HA PRO 26 21.324 5.873 9.683 167 1HB PRO 26 2HB PRO 26 23.911 5.881 8.934 168 2HB PRO 26 1HB PRO 26 22.955 4.395 8.980 169 1HG PRO 26 2HG PRO 26 23.689 6.106 6.637 170 2HG PRO 26 1HG PRO 26 23.672 4.338 6.772 171 1HD PRO 26 2HD PRO 26 21.669 5.802 5.605 172 2HD PRO 26 1HD PRO 26 21.425 4.210 6.346 173 H ALA 27 H ALA 27 20.188 8.111 8.595 174 HA ALA 27 HA ALA 27 22.296 10.171 8.608 175 1HB ALA 27 1HB ALA 27 19.487 10.315 7.516 176 2HB ALA 27 2HB ALA 27 20.957 10.112 6.564 177 3HB ALA 27 3HB ALA 27 20.683 11.610 7.456 178 H THR 28 H THR 28 20.847 8.802 10.896 179 HA THR 28 HA THR 28 19.275 10.913 12.081 180 HB THR 28 HB THR 28 20.219 8.367 13.407 181 HG1 THR 28 1HG THR 28 18.045 8.854 11.640 182 1HG2 THR 28 1HG2 THR 28 19.255 10.055 14.898 183 2HG2 THR 28 2HG2 THR 28 18.188 8.659 14.751 184 3HG2 THR 28 3HG2 THR 28 17.821 10.144 13.875 185 H THR 29 H THR 29 20.385 12.642 12.754 186 HA THR 29 HA THR 29 23.071 12.491 13.727 187 HB THR 29 HB THR 29 21.147 14.827 13.877 188 HG1 THR 29 1HG THR 29 21.421 14.926 11.778 189 1HG2 THR 29 1HG2 THR 29 24.170 14.706 13.955 190 2HG2 THR 29 2HG2 THR 29 23.109 15.102 15.308 191 3HG2 THR 29 3HG2 THR 29 23.208 16.183 13.917 192 H GLY 30 H GLY 30 19.886 12.694 15.181 193 1HA GLY 30 2HA GLY 30 20.981 11.890 17.742 194 2HA GLY 30 1HA GLY 30 20.244 13.486 17.730 195 H ALA 31 H ALA 31 18.136 13.599 18.147 196 HA ALA 31 HA ALA 31 16.529 11.160 18.001 197 1HB ALA 31 1HB ALA 31 15.828 13.901 19.054 198 2HB ALA 31 2HB ALA 31 16.339 12.520 20.024 199 3HB ALA 31 3HB ALA 31 14.806 12.469 19.154 200 H ALA 32 H ALA 32 17.458 13.639 16.077 201 HA ALA 32 HA ALA 32 15.118 13.324 14.333 202 1HB ALA 32 1HB ALA 32 15.120 15.570 15.352 203 2HB ALA 32 2HB ALA 32 15.348 15.627 13.603 204 3HB ALA 32 3HB ALA 32 16.727 15.854 14.678 205 H GLY 33 H GLY 33 15.648 13.822 12.037 206 1HA GLY 33 2HA GLY 33 18.386 13.661 11.191 207 2HA GLY 33 1HA GLY 33 17.537 12.132 11.013 208 H THR 34 H THR 34 17.724 15.445 9.960 209 HA THR 34 HA THR 34 15.546 15.153 8.086 210 HB THR 34 HB THR 34 17.502 17.449 8.354 211 HG1 THR 34 1HG THR 34 14.906 17.091 9.505 212 1HG2 THR 34 1HG2 THR 34 14.771 17.273 7.070 213 2HG2 THR 34 2HG2 THR 34 16.311 17.415 6.222 214 3HG2 THR 34 3HG2 THR 34 15.737 18.742 7.231 215 H ALA 35 H ALA 35 16.156 13.609 6.642 216 HA ALA 35 HA ALA 35 18.696 13.813 5.267 217 1HB ALA 35 1HB ALA 35 17.763 11.627 5.879 218 2HB ALA 35 2HB ALA 35 18.027 11.777 4.142 219 3HB ALA 35 3HB ALA 35 16.397 11.918 4.801 220 HA PRO 36 HA PRO 36 17.057 16.701 2.307 221 1HB PRO 36 2HB PRO 36 19.104 16.348 0.478 222 2HB PRO 36 1HB PRO 36 19.149 17.461 1.848 223 1HG PRO 36 2HG PRO 36 20.307 14.718 1.593 224 2HG PRO 36 1HG PRO 36 20.984 16.155 2.381 225 1HD PRO 36 2HD PRO 36 19.872 14.171 3.803 226 2HD PRO 36 1HD PRO 36 19.697 15.870 4.288 227 H THR 37 H THR 37 15.285 15.895 1.349 228 HA THR 37 HA THR 37 15.347 13.473 -0.172 229 HB THR 37 HB THR 37 13.338 13.871 1.026 230 HG1 THR 37 1HG THR 37 11.797 13.830 -0.694 231 1HG2 THR 37 1HG2 THR 37 13.058 16.484 -0.462 232 2HG2 THR 37 2HG2 THR 37 13.491 16.304 1.239 233 3HG2 THR 37 3HG2 THR 37 11.893 15.811 0.679 234 H ALA 38 H ALA 38 16.752 13.774 -1.838 235 HA ALA 38 HA ALA 38 16.173 15.859 -3.785 236 1HB ALA 38 1HB ALA 38 18.516 15.475 -3.168 237 2HB ALA 38 2HB ALA 38 18.233 15.201 -4.887 238 3HB ALA 38 3HB ALA 38 18.404 13.829 -3.791 239 HA PRO 39 HA PRO 39 14.911 12.109 -6.316 240 1HB PRO 39 2HB PRO 39 15.695 9.587 -5.595 241 2HB PRO 39 1HB PRO 39 16.669 10.671 -6.591 242 1HG PRO 39 2HG PRO 39 17.171 9.760 -3.894 243 2HG PRO 39 1HG PRO 39 18.217 10.718 -4.949 244 1HD PRO 39 2HD PRO 39 16.460 11.602 -2.767 245 2HD PRO 39 1HD PRO 39 17.805 12.457 -3.546 246 H GLN 40 H GLN 40 12.773 12.335 -5.725 247 HA GLN 40 HA GLN 40 11.784 10.461 -3.681 248 1HB GLN 40 2HB GLN 40 11.916 12.792 -2.800 249 2HB GLN 40 1HB GLN 40 10.804 13.297 -4.065 250 1HG GLN 40 2HG GLN 40 9.090 11.819 -3.152 251 2HG GLN 40 1HG GLN 40 10.205 11.312 -1.884 252 1HE2 GLN 40 1HE2 GLN 40 8.164 13.852 -3.060 253 2HE2 GLN 40 2HE2 GLN 40 8.234 14.843 -1.647 254 HA PRO 41 HA PRO 41 9.335 9.718 -7.487 255 1HB PRO 41 2HB PRO 41 9.162 6.992 -6.450 256 2HB PRO 41 1HB PRO 41 9.846 7.557 -7.976 257 1HG PRO 41 2HG PRO 41 11.374 6.578 -5.965 258 2HG PRO 41 1HG PRO 41 11.949 7.825 -7.088 259 1HD PRO 41 2HD PRO 41 10.914 8.121 -4.290 260 2HD PRO 41 1HD PRO 41 12.293 8.925 -5.072 261 H THR 42 H THR 42 7.477 10.789 -6.893 262 HA THR 42 HA THR 42 5.840 9.615 -4.762 263 HB THR 42 HB THR 42 5.374 12.264 -6.135 264 HG1 THR 42 1HG THR 42 7.454 11.693 -4.706 265 1HG2 THR 42 1HG2 THR 42 4.110 12.788 -4.126 266 2HG2 THR 42 2HG2 THR 42 4.514 11.215 -3.437 267 3HG2 THR 42 3HG2 THR 42 3.484 11.314 -4.866 268 H ALA 43 H ALA 43 5.197 7.840 -6.104 269 HA ALA 43 HA ALA 43 2.750 8.349 -7.491 270 1HB ALA 43 1HB ALA 43 4.344 8.860 -9.291 271 2HB ALA 43 2HB ALA 43 3.387 7.424 -9.646 272 3HB ALA 43 3HB ALA 43 5.056 7.256 -9.106 273 H ALA 44 H ALA 44 1.707 6.322 -8.175 274 HA ALA 44 HA ALA 44 2.846 3.878 -7.074 275 1HB ALA 44 1HB ALA 44 1.608 4.803 -5.191 276 2HB ALA 44 2HB ALA 44 0.806 3.356 -5.806 277 3HB ALA 44 3HB ALA 44 0.166 4.954 -6.196 278 HA PRO 45 HA PRO 45 0.672 3.277 -11.036 279 1HB PRO 45 2HB PRO 45 2.557 1.818 -12.241 280 2HB PRO 45 1HB PRO 45 2.717 3.566 -12.074 281 1HG PRO 45 2HG PRO 45 3.999 1.386 -10.478 282 2HG PRO 45 1HG PRO 45 4.694 2.909 -11.065 283 1HD PRO 45 2HD PRO 45 3.762 2.486 -8.498 284 2HD PRO 45 1HD PRO 45 3.924 4.078 -9.264 285 H SER 46 H SER 46 1.456 1.295 -8.483 286 HA SER 46 HA SER 46 -0.451 -0.691 -9.362 287 1HB SER 46 2HB SER 46 2.328 -1.528 -8.500 288 2HB SER 46 1HB SER 46 0.996 -2.606 -8.918 289 HG SER 46 HG SER 46 1.274 -1.020 -10.977 290 H ILE 47 H ILE 47 -1.671 -1.348 -7.678 291 HA ILE 47 HA ILE 47 -0.950 -0.470 -5.002 292 HB ILE 47 HB ILE 47 -3.419 -1.865 -6.052 293 1HG1 ILE 47 2HG1 ILE 47 -3.214 0.453 -6.787 294 2HG1 ILE 47 1HG1 ILE 47 -4.511 0.303 -5.606 295 1HG2 ILE 47 1HG2 ILE 47 -4.418 -1.420 -3.852 296 2HG2 ILE 47 2HG2 ILE 47 -2.856 -0.838 -3.272 297 3HG2 ILE 47 3HG2 ILE 47 -3.047 -2.526 -3.750 298 1HD1 ILE 47 1HD1 ILE 47 -3.218 2.311 -5.224 299 2HD1 ILE 47 2HD1 ILE 47 -1.740 1.357 -5.082 300 3HD1 ILE 47 3HD1 ILE 47 -3.020 1.188 -3.878 301 H ASP 48 H ASP 48 0.553 -1.731 -4.081 302 HA ASP 48 HA ASP 48 0.798 -4.510 -4.762 303 1HB ASP 48 2HB ASP 48 2.637 -2.716 -4.017 304 2HB ASP 48 1HB ASP 48 2.272 -3.379 -2.428 305 H VAL 49 H VAL 49 -0.737 -5.829 -3.995 306 HA VAL 49 HA VAL 49 -2.095 -5.218 -1.527 307 HB VAL 49 HB VAL 49 -2.472 -7.591 -3.365 308 1HG1 VAL 49 1HG1 VAL 49 -4.691 -7.758 -2.338 309 2HG1 VAL 49 2HG1 VAL 49 -4.265 -6.456 -1.227 310 3HG1 VAL 49 3HG1 VAL 49 -3.399 -7.992 -1.161 311 1HG2 VAL 49 1HG2 VAL 49 -2.833 -5.502 -4.557 312 2HG2 VAL 49 2HG2 VAL 49 -3.936 -4.957 -3.291 313 3HG2 VAL 49 3HG2 VAL 49 -4.363 -6.345 -4.295 314 H ALA 50 H ALA 50 0.496 -7.214 -2.543 315 HA ALA 50 HA ALA 50 0.313 -9.370 -0.803 316 1HB ALA 50 1HB ALA 50 1.890 -9.253 -2.683 317 2HB ALA 50 2HB ALA 50 2.665 -9.736 -1.176 318 3HB ALA 50 3HB ALA 50 2.860 -8.091 -1.777 319 HA PRO 51 HA PRO 51 2.855 -7.011 2.510 320 1HB PRO 51 2HB PRO 51 2.752 -4.172 2.021 321 2HB PRO 51 1HB PRO 51 4.167 -5.216 2.130 322 1HG PRO 51 2HG PRO 51 3.273 -3.987 -0.173 323 2HG PRO 51 1HG PRO 51 4.341 -5.399 -0.120 324 1HD PRO 51 2HD PRO 51 1.436 -5.236 -0.707 325 2HD PRO 51 1HD PRO 51 2.652 -6.375 -1.311 326 H ILE 52 H ILE 52 0.189 -5.199 1.073 327 HA ILE 52 HA ILE 52 -0.770 -3.965 3.387 328 HB ILE 52 HB ILE 52 -2.317 -4.836 0.940 329 1HG1 ILE 52 2HG1 ILE 52 -1.027 -2.204 1.690 330 2HG1 ILE 52 1HG1 ILE 52 -0.504 -3.297 0.414 331 1HG2 ILE 52 1HG2 ILE 52 -3.987 -3.167 1.615 332 2HG2 ILE 52 2HG2 ILE 52 -3.093 -2.882 3.107 333 3HG2 ILE 52 3HG2 ILE 52 -3.832 -4.456 2.808 334 1HD1 ILE 52 1HD1 ILE 52 -1.708 -1.368 -0.466 335 2HD1 ILE 52 2HD1 ILE 52 -3.128 -1.821 0.481 336 3HD1 ILE 52 3HD1 ILE 52 -2.554 -2.876 -0.812 337 H LEU 53 H LEU 53 -1.396 -7.191 2.071 338 HA LEU 53 HA LEU 53 -3.398 -7.676 4.122 339 1HB LEU 53 2HB LEU 53 -2.588 -8.969 1.600 340 2HB LEU 53 1HB LEU 53 -3.146 -10.051 2.862 341 HG LEU 53 HG LEU 53 -5.276 -8.897 2.977 342 1HD1 LEU 53 1HD1 LEU 53 -4.163 -7.077 0.848 343 2HD1 LEU 53 2HD1 LEU 53 -4.551 -6.631 2.509 344 3HD1 LEU 53 3HD1 LEU 53 -5.837 -7.105 1.400 345 1HD2 LEU 53 1HD2 LEU 53 -5.040 -10.687 1.350 346 2HD2 LEU 53 2HD2 LEU 53 -4.491 -9.527 0.139 347 3HD2 LEU 53 3HD2 LEU 53 -6.139 -9.439 0.762 348 H ASP 54 H ASP 54 -0.164 -8.776 3.220 349 HA ASP 54 HA ASP 54 0.022 -10.861 5.099 350 1HB ASP 54 2HB ASP 54 1.575 -10.547 3.177 351 2HB ASP 54 1HB ASP 54 2.289 -9.177 4.021 352 H LYS 55 H LYS 55 0.919 -7.426 5.318 353 HA LYS 55 HA LYS 55 1.925 -7.779 8.002 354 1HB LYS 55 2HB LYS 55 1.391 -5.149 6.621 355 2HB LYS 55 1HB LYS 55 2.480 -5.457 7.966 356 1HG LYS 55 2HG LYS 55 2.806 -6.278 5.096 357 2HG LYS 55 1HG LYS 55 3.829 -5.199 6.043 358 1HD LYS 55 2HD LYS 55 4.699 -6.990 7.320 359 2HD LYS 55 1HD LYS 55 3.449 -8.100 6.750 360 1HE LYS 55 2HE LYS 55 4.388 -7.804 4.438 361 2HE LYS 55 1HE LYS 55 5.741 -6.943 5.176 362 1HZ LYS 55 1HZ LYS 55 4.937 -9.742 5.768 363 2HZ LYS 55 2HZ LYS 55 6.260 -8.926 6.457 364 3HZ LYS 55 3HZ LYS 55 6.248 -9.275 4.798 365 H ALA 56 H ALA 56 -1.098 -7.258 6.580 366 HA ALA 56 HA ALA 56 -2.316 -6.034 8.899 367 1HB ALA 56 1HB ALA 56 -3.258 -5.640 6.670 368 2HB ALA 56 2HB ALA 56 -4.435 -6.403 7.740 369 3HB ALA 56 3HB ALA 56 -3.609 -7.362 6.512 370 H VAL 57 H VAL 57 -1.582 -9.196 7.732 371 HA VAL 57 HA VAL 57 -3.398 -10.731 9.239 372 HB VAL 57 HB VAL 57 -0.676 -11.314 8.085 373 1HG1 VAL 57 1HG1 VAL 57 -0.826 -12.664 10.091 374 2HG1 VAL 57 2HG1 VAL 57 -1.010 -13.681 8.659 375 3HG1 VAL 57 3HG1 VAL 57 -2.424 -13.230 9.614 376 1HG2 VAL 57 1HG2 VAL 57 -3.442 -12.332 7.437 377 2HG2 VAL 57 2HG2 VAL 57 -1.956 -12.774 6.595 378 3HG2 VAL 57 3HG2 VAL 57 -2.547 -11.112 6.530 379 H LYS 58 H LYS 58 -0.060 -9.750 9.901 380 HA LYS 58 HA LYS 58 -0.110 -10.781 12.578 381 1HB LYS 58 2HB LYS 58 2.129 -9.679 12.738 382 2HB LYS 58 1HB LYS 58 1.977 -10.787 11.379 383 1HG LYS 58 2HG LYS 58 1.442 -8.762 9.960 384 2HG LYS 58 1HG LYS 58 1.970 -7.784 11.331 385 1HD LYS 58 2HD LYS 58 3.630 -9.878 9.934 386 2HD LYS 58 1HD LYS 58 3.759 -8.138 9.676 387 1HE LYS 58 2HE LYS 58 4.451 -7.798 11.956 388 2HE LYS 58 1HE LYS 58 4.156 -9.493 12.340 389 1HZ LYS 58 1HZ LYS 58 6.516 -9.012 12.000 390 2HZ LYS 58 2HZ LYS 58 6.196 -8.511 10.410 391 3HZ LYS 58 3HZ LYS 58 5.934 -10.130 10.860 392 H ALA 59 H ALA 59 -1.387 -8.046 11.170 393 HA ALA 59 HA ALA 59 -1.116 -6.365 13.531 394 1HB ALA 59 1HB ALA 59 -1.028 -5.289 11.345 395 2HB ALA 59 2HB ALA 59 -2.424 -4.722 12.265 396 3HB ALA 59 3HB ALA 59 -2.639 -5.898 10.967 397 H LYS 60 H LYS 60 -3.303 -8.594 12.071 398 HA LYS 60 HA LYS 60 -5.631 -7.830 13.539 399 1HB LYS 60 2HB LYS 60 -5.647 -9.107 11.373 400 2HB LYS 60 1HB LYS 60 -5.023 -10.497 12.251 401 1HG LYS 60 2HG LYS 60 -7.408 -10.708 11.955 402 2HG LYS 60 1HG LYS 60 -7.032 -10.489 13.666 403 1HD LYS 60 2HD LYS 60 -7.634 -8.138 13.520 404 2HD LYS 60 1HD LYS 60 -7.939 -8.302 11.791 405 1HE LYS 60 2HE LYS 60 -10.035 -8.338 12.959 406 2HE LYS 60 1HE LYS 60 -9.714 -9.946 12.310 407 1HZ LYS 60 1HZ LYS 60 -9.227 -10.782 14.403 408 2HZ LYS 60 2HZ LYS 60 -10.556 -9.769 14.696 409 3HZ LYS 60 3HZ LYS 60 -8.991 -9.251 15.086 410 H GLY 61 H GLY 61 -3.418 -10.636 13.784 411 1HA GLY 61 2HA GLY 61 -2.789 -10.493 16.417 412 2HA GLY 61 1HA GLY 61 -4.383 -11.225 16.445 413 H GLU 62 H GLU 62 -4.329 -12.951 14.328 414 HA GLU 62 HA GLU 62 -2.324 -14.856 15.344 415 1HB GLU 62 2HB GLU 62 -3.842 -16.638 14.589 416 2HB GLU 62 1HB GLU 62 -4.606 -15.569 15.753 417 1HG GLU 62 2HG GLU 62 -4.988 -15.090 12.835 418 2HG GLU 62 1HG GLU 62 -5.888 -16.372 13.642 419 H LYS 63 H LYS 63 -1.804 -16.651 13.701 420 HA LYS 63 HA LYS 63 -0.708 -15.374 11.366 421 1HB LYS 63 2HB LYS 63 0.606 -17.073 12.511 422 2HB LYS 63 1HB LYS 63 -0.654 -18.267 12.252 423 1HG LYS 63 2HG LYS 63 1.148 -18.638 10.704 424 2HG LYS 63 1HG LYS 63 -0.286 -18.110 9.826 425 1HD LYS 63 2HD LYS 63 1.173 -15.789 10.487 426 2HD LYS 63 1HD LYS 63 2.333 -16.964 9.868 427 1HE LYS 63 2HE LYS 63 -0.184 -16.017 8.501 428 2HE LYS 63 1HE LYS 63 1.468 -15.620 8.043 429 1HZ LYS 63 1HZ LYS 63 1.845 -17.921 7.469 430 2HZ LYS 63 2HZ LYS 63 0.486 -17.352 6.634 431 3HZ LYS 63 3HZ LYS 63 0.293 -18.354 7.988 432 H LEU 64 H LEU 64 -2.752 -14.717 10.521 433 HA LEU 64 HA LEU 64 -4.561 -16.562 9.342 434 1HB LEU 64 2HB LEU 64 -3.990 -13.650 8.779 435 2HB LEU 64 1HB LEU 64 -5.320 -14.546 8.073 436 HG LEU 64 HG LEU 64 -4.948 -13.967 11.011 437 1HD1 LEU 64 1HD1 LEU 64 -5.565 -11.991 9.741 438 2HD1 LEU 64 2HD1 LEU 64 -6.924 -12.543 10.722 439 3HD1 LEU 64 3HD1 LEU 64 -6.895 -12.869 8.988 440 1HD2 LEU 64 1HD2 LEU 64 -6.036 -16.115 10.641 441 2HD2 LEU 64 2HD2 LEU 64 -7.192 -15.352 9.547 442 3HD2 LEU 64 3HD2 LEU 64 -7.185 -14.926 11.260 443 H GLU 65 H GLU 65 -4.881 -16.689 6.933 444 HA GLU 65 HA GLU 65 -2.331 -16.548 5.490 445 1HB GLU 65 2HB GLU 65 -2.816 -18.888 6.487 446 2HB GLU 65 1HB GLU 65 -4.066 -18.996 5.253 447 1HG GLU 65 2HG GLU 65 -2.192 -20.055 4.334 448 2HG GLU 65 1HG GLU 65 -2.258 -18.471 3.564 449 H TRP 66 H TRP 66 -3.437 -14.701 4.564 450 HA TRP 66 HA TRP 66 -5.808 -14.909 3.057 451 1HB TRP 66 2HB TRP 66 -5.186 -12.776 2.086 452 2HB TRP 66 1HB TRP 66 -4.810 -12.762 3.803 453 HD1 TRP 66 HD TRP 66 -2.209 -12.676 4.491 454 HE1 TRP 66 1HE TRP 66 -0.114 -11.960 3.171 455 HE3 TRP 66 3HE TRP 66 -4.134 -12.825 -0.247 456 HZ2 TRP 66 2HZ TRP 66 0.618 -11.514 0.486 457 HZ3 TRP 66 3HZ TRP 66 -2.668 -12.241 -2.129 458 HH2 TRP 66 HH TRP 66 -0.343 -11.598 -1.773 459 H ARG 67 H ARG 67 -2.726 -16.082 2.531 460 HA ARG 67 HA ARG 67 -2.271 -15.947 -0.183 461 1HB ARG 67 2HB ARG 67 -1.672 -18.303 1.610 462 2HB ARG 67 1HB ARG 67 -0.850 -17.894 0.113 463 1HG ARG 67 2HG ARG 67 -0.815 -16.255 2.642 464 2HG ARG 67 1HG ARG 67 0.481 -17.305 2.067 465 1HD ARG 67 2HD ARG 67 -0.549 -14.779 0.799 466 2HD ARG 67 1HD ARG 67 1.055 -15.079 1.470 467 HE ARG 67 HE ARG 67 0.031 -16.457 -0.922 468 1HH1 ARG 67 1HH1 ARG 67 2.607 -14.815 0.794 469 2HH1 ARG 67 2HH1 ARG 67 3.772 -15.083 -0.465 470 1HH2 ARG 67 1HH2 ARG 67 1.523 -16.776 -2.569 471 2HH2 ARG 67 2HH2 ARG 67 3.148 -16.160 -2.411 472 H THR 68 H THR 68 -4.307 -18.214 1.616 473 HA THR 68 HA THR 68 -5.290 -19.237 -0.960 474 HB THR 68 HB THR 68 -3.783 -20.900 -0.005 475 HG1 THR 68 1HG THR 68 -6.523 -21.390 -0.250 476 1HG2 THR 68 1HG2 THR 68 -4.298 -22.010 2.118 477 2HG2 THR 68 2HG2 THR 68 -5.634 -20.888 2.381 478 3HG2 THR 68 3HG2 THR 68 -3.974 -20.291 2.355 479 H SER 69 H SER 69 -6.043 -17.946 2.100 480 HA SER 69 HA SER 69 -8.782 -18.979 1.976 481 1HB SER 69 2HB SER 69 -7.270 -17.693 4.255 482 2HB SER 69 1HB SER 69 -8.928 -18.284 4.347 483 HG SER 69 HG SER 69 -7.061 -19.706 5.038 484 H ILE 70 H ILE 70 -10.405 -17.693 1.439 485 HA ILE 70 HA ILE 70 -9.813 -14.923 0.807 486 HB ILE 70 HB ILE 70 -11.032 -16.335 -0.806 487 1HG1 ILE 70 2HG1 ILE 70 -12.854 -14.708 -1.298 488 2HG1 ILE 70 1HG1 ILE 70 -12.559 -13.959 0.270 489 1HG2 ILE 70 1HG2 ILE 70 -12.314 -17.703 0.732 490 2HG2 ILE 70 2HG2 ILE 70 -13.381 -16.905 -0.425 491 3HG2 ILE 70 3HG2 ILE 70 -13.256 -16.295 1.225 492 1HD1 ILE 70 1HD1 ILE 70 -11.483 -12.725 -1.533 493 2HD1 ILE 70 2HD1 ILE 70 -10.572 -14.166 -1.984 494 3HD1 ILE 70 3HD1 ILE 70 -10.294 -13.399 -0.422 495 H VAL 71 H VAL 71 -11.862 -16.740 3.032 496 HA VAL 71 HA VAL 71 -13.231 -14.524 4.157 497 HB VAL 71 HB VAL 71 -12.555 -17.209 5.390 498 1HG1 VAL 71 1HG1 VAL 71 -13.149 -15.611 7.107 499 2HG1 VAL 71 2HG1 VAL 71 -14.445 -16.787 6.899 500 3HG1 VAL 71 3HG1 VAL 71 -14.610 -15.166 6.223 501 1HG2 VAL 71 1HG2 VAL 71 -13.825 -17.451 3.342 502 2HG2 VAL 71 2HG2 VAL 71 -15.025 -16.294 3.922 503 3HG2 VAL 71 3HG2 VAL 71 -14.833 -17.848 4.736 504 H ASP 72 H ASP 72 -10.146 -15.908 4.516 505 HA ASP 72 HA ASP 72 -9.362 -15.010 7.053 506 1HB ASP 72 2HB ASP 72 -8.290 -16.787 5.652 507 2HB ASP 72 1HB ASP 72 -7.648 -15.517 4.618 508 H LEU 73 H LEU 73 -8.504 -13.745 3.832 509 HA LEU 73 HA LEU 73 -7.162 -11.479 4.814 510 1HB LEU 73 2HB LEU 73 -7.328 -10.638 2.472 511 2HB LEU 73 1HB LEU 73 -6.623 -12.230 2.642 512 HG LEU 73 HG LEU 73 -9.068 -13.038 2.096 513 1HD1 LEU 73 1HD1 LEU 73 -10.182 -11.552 0.493 514 2HD1 LEU 73 2HD1 LEU 73 -9.002 -10.292 0.854 515 3HD1 LEU 73 3HD1 LEU 73 -10.108 -10.848 2.109 516 1HD2 LEU 73 1HD2 LEU 73 -7.117 -13.552 0.759 517 2HD2 LEU 73 2HD2 LEU 73 -7.152 -11.941 0.043 518 3HD2 LEU 73 3HD2 LEU 73 -8.457 -13.079 -0.287 519 H MET 74 H MET 74 -10.506 -12.096 4.318 520 HA MET 74 HA MET 74 -11.506 -9.503 4.045 521 1HB MET 74 2HB MET 74 -13.006 -11.315 3.726 522 2HB MET 74 1HB MET 74 -12.638 -11.996 5.304 523 1HG MET 74 2HG MET 74 -13.810 -10.234 6.411 524 2HG MET 74 1HG MET 74 -14.044 -9.367 4.899 525 1HE MET 74 1HE MET 74 -15.019 -12.502 7.032 526 2HE MET 74 2HE MET 74 -14.373 -13.243 5.567 527 3HE MET 74 3HE MET 74 -16.094 -13.371 5.936 528 H LYS 75 H LYS 75 -10.938 -11.411 7.008 529 HA LYS 75 HA LYS 75 -11.603 -9.129 8.644 530 1HB LYS 75 2HB LYS 75 -11.042 -10.601 10.554 531 2HB LYS 75 1HB LYS 75 -12.254 -11.281 9.481 532 1HG LYS 75 2HG LYS 75 -10.547 -12.712 8.471 533 2HG LYS 75 1HG LYS 75 -9.339 -12.028 9.564 534 1HD LYS 75 2HD LYS 75 -10.555 -12.865 11.482 535 2HD LYS 75 1HD LYS 75 -11.838 -13.475 10.435 536 1HE LYS 75 2HE LYS 75 -10.225 -14.992 9.376 537 2HE LYS 75 1HE LYS 75 -8.968 -14.402 10.465 538 1HZ LYS 75 1HZ LYS 75 -11.464 -15.776 11.295 539 2HZ LYS 75 2HZ LYS 75 -10.249 -15.227 12.341 540 3HZ LYS 75 3HZ LYS 75 -9.926 -16.481 11.248 541 H ALA 76 H ALA 76 -8.793 -10.288 7.134 542 HA ALA 76 HA ALA 76 -6.785 -9.479 8.922 543 1HB ALA 76 1HB ALA 76 -6.677 -9.484 5.903 544 2HB ALA 76 2HB ALA 76 -6.352 -10.869 6.946 545 3HB ALA 76 3HB ALA 76 -5.293 -9.459 6.997 546 H LEU 77 H LEU 77 -8.456 -7.680 6.350 547 HA LEU 77 HA LEU 77 -7.060 -5.252 6.776 548 1HB LEU 77 2HB LEU 77 -9.688 -5.913 5.480 549 2HB LEU 77 1HB LEU 77 -9.227 -4.243 5.736 550 HG LEU 77 HG LEU 77 -8.666 -4.805 3.500 551 1HD1 LEU 77 1HD1 LEU 77 -6.247 -4.462 3.461 552 2HD1 LEU 77 2HD1 LEU 77 -6.167 -4.847 5.180 553 3HD1 LEU 77 3HD1 LEU 77 -7.040 -3.413 4.637 554 1HD2 LEU 77 1HD2 LEU 77 -8.657 -7.206 3.630 555 2HD2 LEU 77 2HD2 LEU 77 -7.205 -7.183 4.632 556 3HD2 LEU 77 3HD2 LEU 77 -7.125 -6.654 2.950 557 H ASP 78 H ASP 78 -10.440 -5.994 7.592 558 HA ASP 78 HA ASP 78 -10.390 -5.670 10.297 559 1HB ASP 78 2HB ASP 78 -9.596 -3.349 9.991 560 2HB ASP 78 1HB ASP 78 -11.025 -2.989 9.026 561 H ILE 79 H ILE 79 -11.815 -7.357 9.513 562 HA ILE 79 HA ILE 79 -14.569 -6.358 9.362 563 HB ILE 79 HB ILE 79 -13.450 -8.584 7.630 564 1HG1 ILE 79 2HG1 ILE 79 -13.032 -6.249 6.823 565 2HG1 ILE 79 1HG1 ILE 79 -14.032 -7.207 5.735 566 1HG2 ILE 79 1HG2 ILE 79 -15.614 -9.260 8.353 567 2HG2 ILE 79 2HG2 ILE 79 -15.766 -8.687 6.694 568 3HG2 ILE 79 3HG2 ILE 79 -16.289 -7.666 8.034 569 1HD1 ILE 79 1HD1 ILE 79 -14.857 -4.929 5.929 570 2HD1 ILE 79 2HD1 ILE 79 -15.026 -5.125 7.674 571 3HD1 ILE 79 3HD1 ILE 79 -16.026 -6.079 6.580 572 H ASP 80 H ASP 80 -16.084 -7.724 10.387 573 HA ASP 80 HA ASP 80 -14.992 -8.967 12.703 574 1HB ASP 80 2HB ASP 80 -17.370 -9.434 13.278 575 2HB ASP 80 1HB ASP 80 -17.063 -7.748 12.875 576 H SER 81 H SER 81 -16.206 -10.158 9.692 577 HA SER 81 HA SER 81 -16.384 -12.181 8.730 578 1HB SER 81 2HB SER 81 -14.670 -13.871 9.269 579 2HB SER 81 1HB SER 81 -13.972 -12.268 9.068 580 HG SER 81 HG SER 81 -14.503 -12.439 11.603 581 H SER 82 H SER 82 -18.069 -11.568 11.075 582 HA SER 82 HA SER 82 -18.542 -14.142 12.319 583 1HB SER 82 2HB SER 82 -18.857 -11.905 13.476 584 2HB SER 82 1HB SER 82 -20.264 -11.649 12.445 585 HG SER 82 HG SER 82 -21.055 -12.547 14.280 586 H LEU 83 H LEU 83 -21.453 -13.923 12.297 587 HA LEU 83 HA LEU 83 -21.967 -15.435 9.969 588 1HB LEU 83 2HB LEU 83 -23.219 -15.361 12.246 589 2HB LEU 83 1HB LEU 83 -24.124 -14.041 11.532 590 HG LEU 83 HG LEU 83 -25.259 -16.261 11.389 591 1HD1 LEU 83 1HD1 LEU 83 -25.870 -14.513 9.821 592 2HD1 LEU 83 2HD1 LEU 83 -25.901 -16.087 9.026 593 3HD1 LEU 83 3HD1 LEU 83 -24.550 -14.988 8.750 594 1HD2 LEU 83 1HD2 LEU 83 -23.317 -17.668 11.079 595 2HD2 LEU 83 2HD2 LEU 83 -22.977 -16.900 9.528 596 3HD2 LEU 83 3HD2 LEU 83 -24.435 -17.874 9.727 597 H SER 84 H SER 84 -22.817 -12.088 10.839 598 HA SER 84 HA SER 84 -24.296 -11.432 8.581 599 1HB SER 84 2HB SER 84 -22.462 -9.578 10.114 600 2HB SER 84 1HB SER 84 -23.872 -9.116 9.160 601 HG SER 84 HG SER 84 -24.794 -9.250 11.069 602 H ALA 85 H ALA 85 -20.802 -11.402 9.052 603 HA ALA 85 HA ALA 85 -20.202 -10.020 6.643 604 1HB ALA 85 1HB ALA 85 -18.671 -10.059 8.539 605 2HB ALA 85 2HB ALA 85 -17.894 -10.671 7.079 606 3HB ALA 85 3HB ALA 85 -18.442 -11.794 8.325 607 H ARG 86 H ARG 86 -19.880 -13.459 7.528 608 HA ARG 86 HA ARG 86 -19.005 -14.294 4.988 609 1HB ARG 86 2HB ARG 86 -19.361 -16.550 5.762 610 2HB ARG 86 1HB ARG 86 -18.692 -15.598 7.077 611 1HG ARG 86 2HG ARG 86 -21.053 -15.323 7.922 612 2HG ARG 86 1HG ARG 86 -21.523 -16.536 6.731 613 1HD ARG 86 2HD ARG 86 -21.161 -17.612 8.862 614 2HD ARG 86 1HD ARG 86 -19.893 -18.102 7.737 615 HE ARG 86 HE ARG 86 -19.262 -15.843 9.439 616 1HH1 ARG 86 1HH1 ARG 86 -19.113 -19.317 9.052 617 2HH1 ARG 86 2HH1 ARG 86 -17.713 -19.512 10.066 618 1HH2 ARG 86 1HH2 ARG 86 -17.406 -16.076 10.765 619 2HH2 ARG 86 2HH2 ARG 86 -16.758 -17.662 11.068 620 H LYS 87 H LYS 87 -22.140 -13.677 6.282 621 HA LYS 87 HA LYS 87 -23.598 -15.232 4.387 622 1HB LYS 87 2HB LYS 87 -24.450 -14.582 6.649 623 2HB LYS 87 1HB LYS 87 -24.594 -12.928 6.071 624 1HG LYS 87 2HG LYS 87 -26.741 -14.019 6.008 625 2HG LYS 87 1HG LYS 87 -26.194 -13.676 4.366 626 1HD LYS 87 2HD LYS 87 -27.151 -15.891 4.453 627 2HD LYS 87 1HD LYS 87 -25.414 -16.015 4.178 628 1HE LYS 87 2HE LYS 87 -25.049 -16.561 6.504 629 2HE LYS 87 1HE LYS 87 -26.758 -16.315 6.860 630 1HZ LYS 87 1HZ LYS 87 -27.305 -18.170 5.430 631 2HZ LYS 87 2HZ LYS 87 -26.212 -18.668 6.625 632 3HZ LYS 87 3HZ LYS 87 -25.674 -18.401 5.039 633 H GLU 88 H GLU 88 -22.941 -11.716 4.709 634 HA GLU 88 HA GLU 88 -24.428 -11.119 2.363 635 1HB GLU 88 2HB GLU 88 -23.701 -8.861 2.553 636 2HB GLU 88 1HB GLU 88 -24.010 -9.449 4.177 637 1HG GLU 88 2HG GLU 88 -21.768 -9.458 4.737 638 2HG GLU 88 1HG GLU 88 -21.242 -9.498 3.054 639 H LEU 89 H LEU 89 -20.940 -11.495 2.967 640 HA LEU 89 HA LEU 89 -20.033 -10.622 0.483 641 1HB LEU 89 2HB LEU 89 -18.531 -11.046 2.349 642 2HB LEU 89 1HB LEU 89 -18.882 -12.761 2.275 643 HG LEU 89 HG LEU 89 -17.802 -12.899 0.070 644 1HD1 LEU 89 1HD1 LEU 89 -17.154 -9.986 0.502 645 2HD1 LEU 89 2HD1 LEU 89 -18.265 -10.629 -0.705 646 3HD1 LEU 89 3HD1 LEU 89 -16.544 -11.000 -0.804 647 1HD2 LEU 89 1HD2 LEU 89 -16.481 -13.308 2.075 648 2HD2 LEU 89 2HD2 LEU 89 -16.103 -11.588 2.190 649 3HD2 LEU 89 3HD2 LEU 89 -15.504 -12.533 0.827 650 H ALA 90 H ALA 90 -21.086 -13.842 1.492 651 HA ALA 90 HA ALA 90 -20.415 -15.120 -0.941 652 1HB ALA 90 1HB ALA 90 -21.740 -16.990 -0.092 653 2HB ALA 90 2HB ALA 90 -22.358 -15.961 1.201 654 3HB ALA 90 3HB ALA 90 -20.640 -16.360 1.135 655 H LYS 91 H LYS 91 -23.449 -13.702 0.289 656 HA LYS 91 HA LYS 91 -24.967 -14.706 -1.916 657 1HB LYS 91 2HB LYS 91 -26.831 -13.427 -1.049 658 2HB LYS 91 1HB LYS 91 -26.028 -14.293 0.249 659 1HG LYS 91 2HG LYS 91 -24.938 -12.244 0.965 660 2HG LYS 91 1HG LYS 91 -25.696 -11.365 -0.366 661 1HD LYS 91 2HD LYS 91 -27.904 -11.900 0.543 662 2HD LYS 91 1HD LYS 91 -27.148 -12.783 1.868 663 1HE LYS 91 2HE LYS 91 -26.129 -10.752 2.689 664 2HE LYS 91 1HE LYS 91 -26.748 -9.849 1.306 665 1HZ LYS 91 1HZ LYS 91 -28.974 -10.206 2.062 666 2HZ LYS 91 2HZ LYS 91 -28.074 -9.553 3.338 667 3HZ LYS 91 3HZ LYS 91 -28.448 -11.212 3.324 668 H GLU 92 H GLU 92 -23.084 -11.837 -1.405 669 HA GLU 92 HA GLU 92 -24.118 -10.246 -3.490 670 1HB GLU 92 2HB GLU 92 -21.201 -10.511 -2.717 671 2HB GLU 92 1HB GLU 92 -21.939 -9.170 -3.576 672 1HG GLU 92 2HG GLU 92 -22.525 -9.944 -0.733 673 2HG GLU 92 1HG GLU 92 -21.441 -8.653 -1.239 674 H LEU 93 H LEU 93 -21.797 -12.872 -3.382 675 HA LEU 93 HA LEU 93 -21.153 -12.731 -6.185 676 1HB LEU 93 2HB LEU 93 -20.503 -14.867 -4.152 677 2HB LEU 93 1HB LEU 93 -19.770 -14.692 -5.736 678 HG LEU 93 HG LEU 93 -19.539 -12.653 -3.521 679 1HD1 LEU 93 1HD1 LEU 93 -17.578 -14.740 -4.459 680 2HD1 LEU 93 2HD1 LEU 93 -18.413 -14.716 -2.909 681 3HD1 LEU 93 3HD1 LEU 93 -17.238 -13.460 -3.295 682 1HD2 LEU 93 1HD2 LEU 93 -17.804 -11.674 -4.916 683 2HD2 LEU 93 2HD2 LEU 93 -19.338 -11.727 -5.786 684 3HD2 LEU 93 3HD2 LEU 93 -18.078 -12.907 -6.149 685 H GLY 94 H GLY 94 -23.521 -14.346 -4.263 686 1HA GLY 94 2HA GLY 94 -25.403 -15.083 -5.824 687 2HA GLY 94 1HA GLY 94 -24.174 -16.120 -6.530 688 H TYR 95 H TYR 95 -23.126 -16.340 -3.621 689 HA TYR 95 HA TYR 95 -23.260 -17.784 -1.884 690 1HB TYR 95 2HB TYR 95 -25.456 -16.409 -1.644 691 2HB TYR 95 1HB TYR 95 -26.253 -17.869 -2.215 692 HD1 TYR 95 1HD TYR 95 -26.670 -19.677 -0.729 693 HD2 TYR 95 2HD TYR 95 -24.110 -16.505 0.477 694 HE1 TYR 95 1HE TYR 95 -26.684 -20.548 1.569 695 HE2 TYR 95 2HE TYR 95 -24.114 -17.368 2.780 696 HH TYR 95 HH TYR 95 -25.303 -20.467 3.583 697 H SER 96 H SER 96 -22.944 -18.863 -4.542 698 HA SER 96 HA SER 96 -24.451 -21.291 -4.687 699 1HB SER 96 2HB SER 96 -21.897 -20.506 -6.118 700 2HB SER 96 1HB SER 96 -22.903 -21.901 -6.510 701 HG SER 96 HG SER 96 -23.365 -19.173 -6.944 702 H GLY 97 H GLY 97 -24.057 -21.952 -2.457 703 1HA GLY 97 2HA GLY 97 -21.617 -23.590 -2.294 704 2HA GLY 97 1HA GLY 97 -22.070 -22.564 -0.941 705 H ASP 98 H ASP 98 -22.173 -25.641 -2.033 706 HA ASP 98 HA ASP 98 -24.272 -26.342 -0.161 707 1HB ASP 98 2HB ASP 98 -25.496 -25.965 -2.274 708 2HB ASP 98 1HB ASP 98 -24.477 -27.163 -3.066 709 H MET 99 H MET 99 -23.064 -28.298 -2.852 710 HA MET 99 HA MET 99 -22.187 -30.277 -0.907 711 1HB MET 99 2HB MET 99 -21.985 -31.798 -2.830 712 2HB MET 99 1HB MET 99 -23.580 -31.067 -2.733 713 1HG MET 99 2HG MET 99 -22.933 -29.467 -4.479 714 2HG MET 99 1HG MET 99 -21.359 -30.254 -4.593 715 1HE MET 99 1HE MET 99 -25.243 -30.701 -5.074 716 2HE MET 99 2HE MET 99 -24.812 -32.001 -3.962 717 3HE MET 99 3HE MET 99 -25.329 -32.380 -5.608 718 H ASN 100 H ASN 100 -20.776 -27.688 -2.107 719 HA ASN 100 HA ASN 100 -18.182 -28.785 -2.747 720 1HB ASN 100 2HB ASN 100 -17.474 -26.365 -2.698 721 2HB ASN 100 1HB ASN 100 -18.753 -26.735 -3.850 722 1HD2 ASN 100 1HD2 ASN 100 -17.979 -25.190 -0.817 723 2HD2 ASN 100 2HD2 ASN 100 -19.427 -24.252 -0.715 724 H ASP 101 H ASP 101 -19.925 -27.926 0.030 725 HA ASP 101 HA ASP 101 -19.478 -27.892 2.248 726 1HB ASP 101 2HB ASP 101 -17.017 -29.456 1.441 727 2HB ASP 101 1HB ASP 101 -17.661 -29.328 3.072 728 H SER 102 H SER 102 -17.344 -27.586 3.821 729 HA SER 102 HA SER 102 -16.667 -24.884 3.573 730 1HB SER 102 2HB SER 102 -15.289 -27.031 5.207 731 2HB SER 102 1HB SER 102 -15.130 -25.292 5.448 732 HG SER 102 HG SER 102 -16.894 -25.335 6.558 733 H ALA 103 H ALA 103 -15.110 -27.759 2.394 734 HA ALA 103 HA ALA 103 -12.489 -26.813 2.097 735 1HB ALA 103 1HB ALA 103 -12.189 -28.666 0.528 736 2HB ALA 103 2HB ALA 103 -13.936 -28.900 0.472 737 3HB ALA 103 3HB ALA 103 -13.057 -29.175 1.975 738 H SER 104 H SER 104 -14.924 -27.246 -0.490 739 HA SER 104 HA SER 104 -13.340 -25.663 -2.288 740 1HB SER 104 2HB SER 104 -16.112 -26.836 -2.599 741 2HB SER 104 1HB SER 104 -15.188 -26.072 -3.894 742 HG SER 104 HG SER 104 -14.753 -28.520 -2.586 743 H MET 105 H MET 105 -15.621 -24.934 0.083 744 HA MET 105 HA MET 105 -16.929 -22.691 -0.993 745 1HB MET 105 2HB MET 105 -17.630 -23.692 1.115 746 2HB MET 105 1HB MET 105 -16.097 -23.260 1.859 747 1HG MET 105 2HG MET 105 -16.670 -20.867 1.488 748 2HG MET 105 1HG MET 105 -18.258 -21.387 0.927 749 1HE MET 105 1HE MET 105 -15.771 -21.239 3.947 750 2HE MET 105 2HE MET 105 -16.103 -22.971 3.849 751 3HE MET 105 3HE MET 105 -16.693 -22.035 5.224 752 H ASN 106 H ASN 106 -13.902 -22.977 0.813 753 HA ASN 106 HA ASN 106 -13.342 -20.180 0.772 754 1HB ASN 106 2HB ASN 106 -12.503 -21.762 2.505 755 2HB ASN 106 1HB ASN 106 -11.465 -22.502 1.293 756 1HD2 ASN 106 1HD2 ASN 106 -9.671 -22.021 2.554 757 2HD2 ASN 106 2HD2 ASN 106 -9.016 -20.420 2.640 758 H ILE 107 H ILE 107 -12.608 -22.880 -1.301 759 HA ILE 107 HA ILE 107 -10.479 -21.610 -2.731 760 HB ILE 107 HB ILE 107 -12.131 -24.026 -3.488 761 1HG1 ILE 107 2HG1 ILE 107 -9.432 -23.868 -2.126 762 2HG1 ILE 107 1HG1 ILE 107 -10.948 -24.250 -1.316 763 1HG2 ILE 107 1HG2 ILE 107 -10.221 -24.599 -4.929 764 2HG2 ILE 107 2HG2 ILE 107 -9.472 -23.052 -4.529 765 3HG2 ILE 107 3HG2 ILE 107 -10.999 -23.093 -5.414 766 1HD1 ILE 107 1HD1 ILE 107 -11.158 -26.265 -2.670 767 2HD1 ILE 107 2HD1 ILE 107 -9.641 -26.244 -1.770 768 3HD1 ILE 107 3HD1 ILE 107 -9.649 -25.873 -3.494 769 H TRP 108 H TRP 108 -13.907 -22.215 -3.414 770 HA TRP 108 HA TRP 108 -13.873 -21.096 -6.024 771 1HB TRP 108 2HB TRP 108 -15.601 -22.654 -5.538 772 2HB TRP 108 1HB TRP 108 -16.077 -21.786 -4.083 773 HD1 TRP 108 HD TRP 108 -16.330 -21.483 -7.931 774 HE1 TRP 108 1HE TRP 108 -18.358 -19.990 -8.488 775 HE3 TRP 108 3HE TRP 108 -17.600 -20.046 -3.187 776 HZ2 TRP 108 2HZ TRP 108 -20.250 -18.412 -7.080 777 HZ3 TRP 108 3HZ TRP 108 -19.526 -18.547 -2.880 778 HH2 TRP 108 HH TRP 108 -20.817 -17.747 -4.787 779 H LEU 109 H LEU 109 -14.972 -19.879 -2.883 780 HA LEU 109 HA LEU 109 -15.894 -17.386 -3.832 781 1HB LEU 109 2HB LEU 109 -16.342 -18.676 -1.605 782 2HB LEU 109 1HB LEU 109 -14.926 -17.826 -1.023 783 HG LEU 109 HG LEU 109 -17.147 -16.237 -2.243 784 1HD1 LEU 109 1HD1 LEU 109 -18.266 -16.126 -0.073 785 2HD1 LEU 109 2HD1 LEU 109 -17.144 -17.324 0.572 786 3HD1 LEU 109 3HD1 LEU 109 -18.271 -17.770 -0.708 787 1HD2 LEU 109 1HD2 LEU 109 -15.079 -15.125 -1.603 788 2HD2 LEU 109 2HD2 LEU 109 -15.221 -15.772 0.032 789 3HD2 LEU 109 3HD2 LEU 109 -16.409 -14.610 -0.563 790 H HIS 110 H HIS 110 -12.788 -18.583 -2.885 791 HA HIS 110 HA HIS 110 -11.353 -16.243 -2.439 792 1HB HIS 110 2HB HIS 110 -10.527 -18.605 -2.153 793 2HB HIS 110 1HB HIS 110 -10.341 -18.695 -3.898 794 HD1 HIS 110 1HD HIS 110 -8.053 -18.164 -4.718 795 HD2 HIS 110 2HD HIS 110 -8.859 -16.375 -1.037 796 HE1 HIS 110 1HE HIS 110 -5.907 -17.055 -4.009 797 HE2 HIS 110 2HE HIS 110 -6.383 -16.085 -1.733 798 H LYS 111 H LYS 111 -11.957 -17.963 -5.487 799 HA LYS 111 HA LYS 111 -10.506 -16.184 -7.135 800 1HB LYS 111 2HB LYS 111 -12.848 -17.933 -7.907 801 2HB LYS 111 1HB LYS 111 -11.632 -17.277 -8.991 802 1HG LYS 111 2HG LYS 111 -9.923 -18.623 -7.816 803 2HG LYS 111 1HG LYS 111 -11.210 -19.340 -6.841 804 1HD LYS 111 2HD LYS 111 -12.261 -20.231 -8.838 805 2HD LYS 111 1HD LYS 111 -11.044 -19.457 -9.854 806 1HE LYS 111 2HE LYS 111 -10.570 -21.829 -9.540 807 2HE LYS 111 1HE LYS 111 -9.308 -20.821 -8.834 808 1HZ LYS 111 1HZ LYS 111 -9.823 -22.565 -7.316 809 2HZ LYS 111 2HZ LYS 111 -11.487 -22.236 -7.395 810 3HZ LYS 111 3HZ LYS 111 -10.437 -21.125 -6.661 811 H GLN 112 H GLN 112 -13.931 -16.439 -6.315 812 HA GLN 112 HA GLN 112 -14.939 -14.591 -8.137 813 1HB GLN 112 2HB GLN 112 -15.984 -15.400 -5.428 814 2HB GLN 112 1HB GLN 112 -16.898 -14.455 -6.592 815 1HG GLN 112 2HG GLN 112 -15.845 -17.235 -7.053 816 2HG GLN 112 1HG GLN 112 -17.500 -16.834 -6.595 817 1HE2 GLN 112 1HE2 GLN 112 -15.130 -16.777 -9.115 818 2HE2 GLN 112 2HE2 GLN 112 -16.212 -16.406 -10.407 819 H VAL 113 H VAL 113 -13.929 -14.069 -4.754 820 HA VAL 113 HA VAL 113 -14.627 -11.319 -4.755 821 HB VAL 113 HB VAL 113 -12.718 -12.824 -2.965 822 1HG1 VAL 113 1HG1 VAL 113 -12.148 -10.451 -2.957 823 2HG1 VAL 113 2HG1 VAL 113 -12.892 -10.916 -1.427 824 3HG1 VAL 113 3HG1 VAL 113 -13.830 -10.035 -2.634 825 1HG2 VAL 113 1HG2 VAL 113 -14.556 -12.735 -1.356 826 2HG2 VAL 113 2HG2 VAL 113 -15.031 -13.574 -2.832 827 3HG2 VAL 113 3HG2 VAL 113 -15.563 -11.917 -2.552 828 H MET 114 H MET 114 -11.617 -13.037 -5.504 829 HA MET 114 HA MET 114 -9.967 -10.745 -5.578 830 1HB MET 114 2HB MET 114 -9.695 -13.384 -7.020 831 2HB MET 114 1HB MET 114 -8.458 -12.139 -7.020 832 1HG MET 114 2HG MET 114 -8.388 -12.309 -4.534 833 2HG MET 114 1HG MET 114 -9.485 -13.685 -4.659 834 1HE MET 114 1HE MET 114 -7.240 -16.111 -6.886 835 2HE MET 114 2HE MET 114 -8.309 -14.851 -7.502 836 3HE MET 114 3HE MET 114 -8.839 -15.888 -6.176 837 H SER 115 H SER 115 -12.135 -12.169 -7.890 838 HA SER 115 HA SER 115 -11.226 -10.755 -10.175 839 1HB SER 115 2HB SER 115 -13.968 -11.920 -9.626 840 2HB SER 115 1HB SER 115 -13.308 -11.499 -11.207 841 HG SER 115 HG SER 115 -12.223 -13.453 -9.441 842 H LYS 116 H LYS 116 -12.992 -9.785 -7.426 843 HA LYS 116 HA LYS 116 -14.061 -7.415 -8.807 844 1HB LYS 116 2HB LYS 116 -14.569 -8.014 -5.916 845 2HB LYS 116 1HB LYS 116 -15.581 -7.150 -7.059 846 1HG LYS 116 2HG LYS 116 -15.111 -10.118 -7.070 847 2HG LYS 116 1HG LYS 116 -16.509 -9.314 -6.364 848 1HD LYS 116 2HD LYS 116 -17.088 -8.422 -8.586 849 2HD LYS 116 1HD LYS 116 -15.709 -9.285 -9.274 850 1HE LYS 116 2HE LYS 116 -16.678 -11.409 -8.500 851 2HE LYS 116 1HE LYS 116 -18.067 -10.532 -7.863 852 1HZ LYS 116 1HZ LYS 116 -17.250 -10.735 -10.708 853 2HZ LYS 116 2HZ LYS 116 -18.518 -9.761 -10.142 854 3HZ LYS 116 3HZ LYS 116 -18.611 -11.448 -9.986 855 H LEU 117 H LEU 117 -11.510 -8.488 -6.855 856 HA LEU 117 HA LEU 117 -11.179 -5.887 -5.538 857 1HB LEU 117 2HB LEU 117 -11.297 -8.173 -4.309 858 2HB LEU 117 1HB LEU 117 -9.647 -8.374 -4.856 859 HG LEU 117 HG LEU 117 -9.871 -7.548 -2.515 860 1HD1 LEU 117 1HD1 LEU 117 -7.813 -7.159 -3.747 861 2HD1 LEU 117 2HD1 LEU 117 -8.174 -5.806 -2.676 862 3HD1 LEU 117 3HD1 LEU 117 -8.476 -5.666 -4.408 863 1HD2 LEU 117 1HD2 LEU 117 -10.492 -5.218 -2.146 864 2HD2 LEU 117 2HD2 LEU 117 -11.832 -6.147 -2.820 865 3HD2 LEU 117 3HD2 LEU 117 -10.906 -5.057 -3.853 866 H VAL 118 H VAL 118 -8.833 -8.396 -6.519 867 HA VAL 118 HA VAL 118 -6.781 -6.462 -6.795 868 HB VAL 118 HB VAL 118 -5.372 -8.270 -7.648 869 1HG1 VAL 118 1HG1 VAL 118 -5.510 -9.753 -5.685 870 2HG1 VAL 118 2HG1 VAL 118 -7.079 -9.047 -5.288 871 3HG1 VAL 118 3HG1 VAL 118 -5.627 -8.044 -5.258 872 1HG2 VAL 118 1HG2 VAL 118 -7.904 -9.909 -7.621 873 2HG2 VAL 118 2HG2 VAL 118 -6.279 -10.557 -7.841 874 3HG2 VAL 118 3HG2 VAL 118 -6.958 -9.453 -9.037 875 H ALA 119 H ALA 119 -9.153 -7.639 -8.971 876 HA ALA 119 HA ALA 119 -7.833 -7.176 -11.426 877 1HB ALA 119 1HB ALA 119 -10.785 -7.112 -10.816 878 2HB ALA 119 2HB ALA 119 -9.848 -8.542 -11.252 879 3HB ALA 119 3HB ALA 119 -10.061 -7.238 -12.422 880 H ASN 120 H ASN 120 -9.136 -5.034 -9.094 881 HA ASN 120 HA ASN 120 -9.838 -2.857 -10.765 882 1HB ASN 120 2HB ASN 120 -8.977 -2.968 -7.873 883 2HB ASN 120 1HB ASN 120 -9.459 -1.478 -8.670 884 1HD2 ASN 120 1HD2 ASN 120 -11.024 -4.461 -9.495 885 2HD2 ASN 120 2HD2 ASN 120 -12.512 -4.155 -8.665 886 H GLY 121 H GLY 121 -6.918 -3.527 -8.892 887 1HA GLY 121 2HA GLY 121 -5.083 -2.727 -10.826 888 2HA GLY 121 1HA GLY 121 -5.429 -1.317 -9.830 889 H GLY 122 H GLY 122 -5.504 -4.589 -8.626 890 1HA GLY 122 2HA GLY 122 -3.438 -3.844 -6.693 891 2HA GLY 122 1HA GLY 122 -4.596 -5.152 -6.517 892 H LYS 123 H LYS 123 -1.611 -4.971 -6.375 893 HA LYS 123 HA LYS 123 -0.859 -6.865 -8.481 894 1HB LYS 123 2HB LYS 123 0.602 -4.894 -8.107 895 2HB LYS 123 1HB LYS 123 0.866 -5.426 -6.453 896 1HG LYS 123 2HG LYS 123 1.648 -7.637 -7.648 897 2HG LYS 123 1HG LYS 123 1.925 -6.531 -8.995 898 1HD LYS 123 2HD LYS 123 3.053 -6.261 -6.211 899 2HD LYS 123 1HD LYS 123 3.938 -6.796 -7.640 900 1HE LYS 123 2HE LYS 123 3.568 -4.621 -8.688 901 2HE LYS 123 1HE LYS 123 2.670 -4.084 -7.267 902 1HZ LYS 123 1HZ LYS 123 5.526 -4.894 -7.301 903 2HZ LYS 123 2HZ LYS 123 4.664 -4.362 -5.939 904 3HZ LYS 123 3HZ LYS 123 4.956 -3.298 -7.226 905 H LEU 124 H LEU 124 -0.461 -8.944 -8.033 906 HA LEU 124 HA LEU 124 -0.033 -9.717 -5.252 907 1HB LEU 124 2HB LEU 124 -1.326 -11.847 -5.709 908 2HB LEU 124 1HB LEU 124 -2.264 -10.395 -5.466 909 HG LEU 124 HG LEU 124 -3.207 -11.875 -7.186 910 1HD1 LEU 124 1HD1 LEU 124 -3.698 -9.519 -7.322 911 2HD1 LEU 124 2HD1 LEU 124 -3.567 -10.218 -8.934 912 3HD1 LEU 124 3HD1 LEU 124 -2.246 -9.247 -8.287 913 1HD2 LEU 124 1HD2 LEU 124 -0.695 -11.307 -8.745 914 2HD2 LEU 124 2HD2 LEU 124 -2.134 -12.113 -9.369 915 3HD2 LEU 124 3HD2 LEU 124 -1.194 -12.861 -8.080 916 HA PRO 125 HA PRO 125 3.378 -12.099 -6.796 917 1HB PRO 125 2HB PRO 125 2.504 -14.265 -4.971 918 2HB PRO 125 1HB PRO 125 4.051 -13.415 -5.043 919 1HG PRO 125 2HG PRO 125 2.308 -12.956 -3.066 920 2HG PRO 125 1HG PRO 125 3.293 -11.650 -3.752 921 1HD PRO 125 2HD PRO 125 0.411 -12.302 -4.223 922 2HD PRO 125 1HD PRO 125 1.198 -10.718 -4.062 923 HA PRO 126 HA PRO 126 1.532 -14.658 -9.902 924 1HB PRO 126 2HB PRO 126 4.108 -16.094 -10.042 925 2HB PRO 126 1HB PRO 126 3.280 -15.146 -11.281 926 1HG PRO 126 2HG PRO 126 5.491 -14.235 -10.080 927 2HG PRO 126 1HG PRO 126 4.166 -13.145 -10.533 928 1HD PRO 126 2HD PRO 126 4.852 -14.281 -7.845 929 2HD PRO 126 1HD PRO 126 4.335 -12.637 -8.275 930 H GLU 127 H GLU 127 2.012 -15.653 -6.929 931 HA GLU 127 HA GLU 127 1.916 -18.532 -7.332 932 1HB GLU 127 2HB GLU 127 1.820 -16.909 -4.781 933 2HB GLU 127 1HB GLU 127 2.063 -18.647 -4.900 934 1HG GLU 127 2HG GLU 127 4.206 -18.383 -5.850 935 2HG GLU 127 1HG GLU 127 3.944 -16.665 -6.146 936 H ILE 128 H ILE 128 -0.152 -15.827 -6.682 937 HA ILE 128 HA ILE 128 -2.380 -17.588 -5.944 938 HB ILE 128 HB ILE 128 -2.232 -14.565 -5.854 939 1HG1 ILE 128 2HG1 ILE 128 -2.471 -15.103 -3.307 940 2HG1 ILE 128 1HG1 ILE 128 -1.839 -16.683 -3.757 941 1HG2 ILE 128 1HG2 ILE 128 -4.365 -16.437 -4.840 942 2HG2 ILE 128 2HG2 ILE 128 -4.496 -15.374 -6.242 943 3HG2 ILE 128 3HG2 ILE 128 -4.338 -14.686 -4.626 944 1HD1 ILE 128 1HD1 ILE 128 -0.467 -14.046 -4.233 945 2HD1 ILE 128 2HD1 ILE 128 0.171 -15.642 -4.626 946 3HD1 ILE 128 3HD1 ILE 128 -0.095 -15.190 -2.943 947 H LYS 129 H LYS 129 -3.388 -18.367 -7.693 948 HA LYS 129 HA LYS 129 -4.263 -16.446 -9.728 949 1HB LYS 129 2HB LYS 129 -2.894 -19.084 -10.259 950 2HB LYS 129 1HB LYS 129 -3.820 -18.221 -11.475 951 1HG LYS 129 2HG LYS 129 -1.620 -16.781 -10.080 952 2HG LYS 129 1HG LYS 129 -1.211 -17.979 -11.309 953 1HD LYS 129 2HD LYS 129 -1.330 -15.867 -12.405 954 2HD LYS 129 1HD LYS 129 -2.767 -16.776 -12.869 955 1HE LYS 129 2HE LYS 129 -4.096 -15.526 -11.260 956 2HE LYS 129 1HE LYS 129 -2.661 -14.650 -10.728 957 1HZ LYS 129 1HZ LYS 129 -3.974 -14.501 -13.389 958 2HZ LYS 129 2HZ LYS 129 -2.459 -13.825 -13.060 959 3HZ LYS 129 3HZ LYS 129 -3.830 -13.265 -12.238 960 H HIS 130 H HIS 130 -5.113 -18.877 -7.591 961 HA HIS 130 HA HIS 130 -7.651 -19.331 -8.929 962 1HB HIS 130 2HB HIS 130 -5.785 -21.595 -8.176 963 2HB HIS 130 1HB HIS 130 -7.476 -21.807 -8.610 964 HD1 HIS 130 1HD HIS 130 -4.178 -21.863 -10.031 965 HD2 HIS 130 2HD HIS 130 -7.976 -20.817 -11.384 966 HE1 HIS 130 1HE HIS 130 -4.051 -21.922 -12.548 967 HE2 HIS 130 2HE HIS 130 -6.369 -21.330 -13.349 Start of MODEL 20 1 1H MET 1 1HT MET 1 -23.825 -6.184 3.974 2 2H MET 1 2HT MET 1 -23.447 -4.724 4.740 3 3H MET 1 3HT MET 1 -22.207 -5.721 4.137 4 HA MET 1 HA MET 1 -24.295 -4.537 2.420 5 1HB MET 1 2HB MET 1 -23.043 -2.740 3.553 6 2HB MET 1 1HB MET 1 -21.531 -3.448 3.003 7 1HG MET 1 2HG MET 1 -22.286 -3.075 0.660 8 2HG MET 1 1HG MET 1 -23.693 -2.226 1.299 9 1HE MET 1 1HE MET 1 -23.008 -0.141 -0.238 10 2HE MET 1 2HE MET 1 -21.568 -0.987 -0.804 11 3HE MET 1 3HE MET 1 -21.434 0.650 -0.163 12 H SER 2 H SER 2 -20.843 -4.659 1.896 13 HA SER 2 HA SER 2 -20.947 -7.035 0.253 14 1HB SER 2 2HB SER 2 -20.131 -4.410 -1.027 15 2HB SER 2 1HB SER 2 -20.340 -5.972 -1.816 16 HG SER 2 HG SER 2 -22.544 -5.798 -1.583 17 H ILE 3 H ILE 3 -19.271 -7.963 1.332 18 HA ILE 3 HA ILE 3 -17.297 -6.597 2.716 19 HB ILE 3 HB ILE 3 -17.204 -9.430 1.699 20 1HG1 ILE 3 2HG1 ILE 3 -18.155 -8.165 4.269 21 2HG1 ILE 3 1HG1 ILE 3 -19.097 -9.097 3.112 22 1HG2 ILE 3 1HG2 ILE 3 -15.532 -8.087 3.822 23 2HG2 ILE 3 2HG2 ILE 3 -14.967 -8.632 2.244 24 3HG2 ILE 3 3HG2 ILE 3 -15.517 -9.809 3.435 25 1HD1 ILE 3 1HD1 ILE 3 -16.894 -10.156 4.863 26 2HD1 ILE 3 2HD1 ILE 3 -17.812 -11.090 3.682 27 3HD1 ILE 3 3HD1 ILE 3 -18.627 -10.403 5.086 28 H PHE 4 H PHE 4 -17.112 -7.905 -0.598 29 HA PHE 4 HA PHE 4 -14.353 -7.476 -0.920 30 1HB PHE 4 2HB PHE 4 -14.825 -7.480 -3.381 31 2HB PHE 4 1HB PHE 4 -15.456 -8.870 -2.511 32 HD1 PHE 4 1HD PHE 4 -17.699 -9.449 -2.667 33 HD2 PHE 4 2HD PHE 4 -16.440 -5.596 -3.959 34 HE1 PHE 4 1HE PHE 4 -19.923 -9.050 -3.636 35 HE2 PHE 4 2HE PHE 4 -18.663 -5.190 -4.932 36 HZ PHE 4 HZ PHE 4 -20.409 -6.920 -4.771 37 H GLY 5 H GLY 5 -17.011 -5.278 -0.975 38 1HA GLY 5 2HA GLY 5 -15.431 -3.139 -2.158 39 2HA GLY 5 1HA GLY 5 -17.105 -3.031 -1.629 40 H LYS 6 H LYS 6 -16.156 -4.397 0.941 41 HA LYS 6 HA LYS 6 -15.712 -1.944 2.381 42 1HB LYS 6 2HB LYS 6 -15.825 -4.809 3.349 43 2HB LYS 6 1HB LYS 6 -15.781 -3.394 4.389 44 1HG LYS 6 2HG LYS 6 -17.945 -2.684 3.581 45 2HG LYS 6 1HG LYS 6 -17.977 -4.011 2.419 46 1HD LYS 6 2HD LYS 6 -19.332 -4.602 4.321 47 2HD LYS 6 1HD LYS 6 -17.885 -5.612 4.309 48 1HE LYS 6 2HE LYS 6 -18.142 -4.954 6.546 49 2HE LYS 6 1HE LYS 6 -16.879 -3.904 5.909 50 1HZ LYS 6 1HZ LYS 6 -18.742 -2.259 5.484 51 2HZ LYS 6 2HZ LYS 6 -18.298 -2.511 7.100 52 3HZ LYS 6 3HZ LYS 6 -19.701 -3.240 6.483 53 H ILE 7 H ILE 7 -13.912 -4.895 1.647 54 HA ILE 7 HA ILE 7 -11.657 -4.169 3.219 55 HB ILE 7 HB ILE 7 -10.467 -6.011 2.072 56 1HG1 ILE 7 2HG1 ILE 7 -13.076 -6.455 0.604 57 2HG1 ILE 7 1HG1 ILE 7 -11.633 -5.766 -0.130 58 1HG2 ILE 7 1HG2 ILE 7 -13.220 -6.695 3.091 59 2HG2 ILE 7 2HG2 ILE 7 -11.778 -6.435 4.073 60 3HG2 ILE 7 3HG2 ILE 7 -11.859 -7.811 2.973 61 1HD1 ILE 7 1HD1 ILE 7 -11.931 -8.154 -0.631 62 2HD1 ILE 7 2HD1 ILE 7 -11.790 -8.513 1.092 63 3HD1 ILE 7 3HD1 ILE 7 -10.422 -7.817 0.219 64 H MET 8 H MET 8 -12.538 -3.704 -0.154 65 HA MET 8 HA MET 8 -9.944 -2.941 -1.022 66 1HB MET 8 2HB MET 8 -10.964 -2.257 -3.076 67 2HB MET 8 1HB MET 8 -11.736 -3.741 -2.553 68 1HG MET 8 2HG MET 8 -13.519 -2.504 -3.277 69 2HG MET 8 1HG MET 8 -13.529 -2.160 -1.548 70 1HE MET 8 1HE MET 8 -14.708 1.225 -3.149 71 2HE MET 8 2HE MET 8 -15.120 -0.084 -2.041 72 3HE MET 8 3HE MET 8 -15.057 -0.385 -3.778 73 H SER 9 H SER 9 -12.410 -1.315 0.701 74 HA SER 9 HA SER 9 -11.856 1.345 -0.055 75 1HB SER 9 2HB SER 9 -13.922 0.713 1.112 76 2HB SER 9 1HB SER 9 -12.992 0.269 2.542 77 HG SER 9 HG SER 9 -12.976 2.878 1.420 78 H ALA 10 H ALA 10 -10.366 -0.864 2.191 79 HA ALA 10 HA ALA 10 -8.695 1.219 3.344 80 1HB ALA 10 1HB ALA 10 -7.809 -0.551 4.770 81 2HB ALA 10 2HB ALA 10 -8.721 -1.754 3.858 82 3HB ALA 10 3HB ALA 10 -9.573 -0.535 4.805 83 H ILE 11 H ILE 11 -8.424 -1.586 1.230 84 HA ILE 11 HA ILE 11 -5.609 -1.596 1.014 85 HB ILE 11 HB ILE 11 -7.672 -2.658 -0.925 86 1HG1 ILE 11 2HG1 ILE 11 -6.148 -4.058 1.288 87 2HG1 ILE 11 1HG1 ILE 11 -7.845 -3.596 1.365 88 1HG2 ILE 11 1HG2 ILE 11 -4.736 -3.299 -0.663 89 2HG2 ILE 11 2HG2 ILE 11 -5.496 -2.417 -1.989 90 3HG2 ILE 11 3HG2 ILE 11 -5.872 -4.122 -1.732 91 1HD1 ILE 11 1HD1 ILE 11 -6.666 -5.561 -0.589 92 2HD1 ILE 11 2HD1 ILE 11 -8.369 -5.129 -0.447 93 3HD1 ILE 11 3HD1 ILE 11 -7.559 -5.973 0.874 94 H PHE 12 H PHE 12 -8.126 -0.236 -1.118 95 HA PHE 12 HA PHE 12 -6.036 0.965 -2.772 96 1HB PHE 12 2HB PHE 12 -9.030 0.760 -3.169 97 2HB PHE 12 1HB PHE 12 -7.928 1.542 -4.299 98 HD1 PHE 12 1HD PHE 12 -6.354 0.231 -5.602 99 HD2 PHE 12 2HD PHE 12 -9.134 -1.623 -2.974 100 HE1 PHE 12 1HE PHE 12 -5.921 -1.933 -6.684 101 HE2 PHE 12 2HE PHE 12 -8.706 -3.796 -4.045 102 HZ PHE 12 HZ PHE 12 -7.094 -3.952 -5.903 103 H GLY 13 H GLY 13 -7.567 1.786 -0.040 104 1HA GLY 13 2HA GLY 13 -8.005 4.601 -0.756 105 2HA GLY 13 1HA GLY 13 -8.530 3.823 0.730 106 H ASP 14 H ASP 14 -5.349 3.165 -0.365 107 HA ASP 14 HA ASP 14 -4.190 4.248 2.001 108 1HB ASP 14 2HB ASP 14 -3.290 2.239 0.849 109 2HB ASP 14 1HB ASP 14 -2.801 3.252 -0.502 110 H SER 15 H SER 15 -2.424 5.786 2.022 111 HA SER 15 HA SER 15 -1.883 7.667 0.038 112 1HB SER 15 2HB SER 15 -4.312 8.240 0.359 113 2HB SER 15 1HB SER 15 -3.942 8.673 2.027 114 HG SER 15 HG SER 15 -2.321 9.860 0.117 115 H ALA 16 H ALA 16 -2.265 6.879 3.415 116 HA ALA 16 HA ALA 16 -0.225 8.754 4.271 117 1HB ALA 16 1HB ALA 16 -2.163 8.329 5.706 118 2HB ALA 16 2HB ALA 16 -0.655 7.885 6.508 119 3HB ALA 16 3HB ALA 16 -1.695 6.633 5.829 120 H ALA 17 H ALA 17 0.047 6.184 2.524 121 HA ALA 17 HA ALA 17 1.808 4.917 1.914 122 1HB ALA 17 1HB ALA 17 3.977 5.128 2.985 123 2HB ALA 17 2HB ALA 17 3.256 6.068 4.292 124 3HB ALA 17 3HB ALA 17 3.280 6.713 2.650 125 H ALA 18 H ALA 18 0.058 3.398 2.698 126 HA ALA 18 HA ALA 18 1.092 1.626 4.793 127 1HB ALA 18 1HB ALA 18 -0.944 0.324 4.447 128 2HB ALA 18 2HB ALA 18 -1.391 1.352 3.087 129 3HB ALA 18 3HB ALA 18 -1.344 2.021 4.719 130 H SER 19 H SER 19 0.813 2.013 1.369 131 HA SER 19 HA SER 19 1.676 -0.530 0.525 132 1HB SER 19 2HB SER 19 2.111 2.171 -0.778 133 2HB SER 19 1HB SER 19 2.212 0.605 -1.584 134 HG SER 19 HG SER 19 -0.082 1.838 -0.440 135 HA PRO 20 HA PRO 20 5.948 -0.812 1.463 136 1HB PRO 20 2HB PRO 20 7.132 -1.349 -0.977 137 2HB PRO 20 1HB PRO 20 6.326 -2.547 0.040 138 1HG PRO 20 2HG PRO 20 5.285 -1.062 -2.336 139 2HG PRO 20 1HG PRO 20 5.044 -2.759 -1.881 140 1HD PRO 20 2HD PRO 20 3.136 -0.919 -1.479 141 2HD PRO 20 1HD PRO 20 3.405 -2.236 -0.319 142 H GLY 21 H GLY 21 6.530 1.237 2.100 143 1HA GLY 21 2HA GLY 21 7.952 2.820 0.049 144 2HA GLY 21 1HA GLY 21 6.934 3.587 1.261 145 H GLY 22 H GLY 22 8.599 0.850 2.367 146 1HA GLY 22 2HA GLY 22 11.106 1.282 2.940 147 2HA GLY 22 1HA GLY 22 10.399 2.575 3.903 148 H ALA 23 H ALA 23 11.783 1.013 5.380 149 HA ALA 23 HA ALA 23 9.810 -0.659 6.771 150 1HB ALA 23 1HB ALA 23 12.679 -1.469 6.289 151 2HB ALA 23 2HB ALA 23 11.262 -2.177 5.507 152 3HB ALA 23 3HB ALA 23 11.490 -2.353 7.247 153 H GLN 24 H GLN 24 9.479 0.600 8.505 154 HA GLN 24 HA GLN 24 11.775 1.968 9.708 155 1HB GLN 24 2HB GLN 24 8.830 2.345 10.274 156 2HB GLN 24 1HB GLN 24 10.145 3.381 10.812 157 1HG GLN 24 2HG GLN 24 10.613 4.038 8.536 158 2HG GLN 24 1HG GLN 24 9.383 2.930 7.931 159 1HE2 GLN 24 1HE2 GLN 24 7.194 3.426 8.279 160 2HE2 GLN 24 2HE2 GLN 24 6.679 5.037 8.642 161 H ALA 25 H ALA 25 11.952 2.072 12.029 162 HA ALA 25 HA ALA 25 11.071 -0.410 13.343 163 1HB ALA 25 1HB ALA 25 12.818 0.065 14.997 164 2HB ALA 25 2HB ALA 25 13.221 1.558 14.149 165 3HB ALA 25 3HB ALA 25 13.483 -0.003 13.367 166 HA PRO 26 HA PRO 26 8.329 1.907 15.954 167 1HB PRO 26 2HB PRO 26 8.895 0.265 18.282 168 2HB PRO 26 1HB PRO 26 7.461 0.264 17.254 169 1HG PRO 26 2HG PRO 26 9.241 -1.796 17.337 170 2HG PRO 26 1HG PRO 26 8.271 -1.400 15.906 171 1HD PRO 26 2HD PRO 26 11.133 -0.744 16.501 172 2HD PRO 26 1HD PRO 26 10.396 -1.287 14.977 173 H ALA 27 H ALA 27 11.014 2.839 15.830 174 HA ALA 27 HA ALA 27 11.116 4.739 17.862 175 1HB ALA 27 1HB ALA 27 11.705 2.883 19.347 176 2HB ALA 27 2HB ALA 27 13.057 4.000 19.163 177 3HB ALA 27 3HB ALA 27 13.056 2.463 18.296 178 H THR 28 H THR 28 11.661 6.154 16.270 179 HA THR 28 HA THR 28 13.758 5.528 14.378 180 HB THR 28 HB THR 28 13.205 7.870 13.529 181 HG1 THR 28 1HG THR 28 12.206 8.802 15.272 182 1HG2 THR 28 1HG2 THR 28 10.999 5.812 13.655 183 2HG2 THR 28 2HG2 THR 28 12.314 5.854 12.482 184 3HG2 THR 28 3HG2 THR 28 11.101 7.134 12.492 185 H THR 29 H THR 29 14.438 5.876 17.229 186 HA THR 29 HA THR 29 16.061 8.318 17.146 187 HB THR 29 HB THR 29 15.487 6.589 19.559 188 HG1 THR 29 1HG THR 29 14.244 9.072 19.311 189 1HG2 THR 29 1HG2 THR 29 16.511 9.420 19.284 190 2HG2 THR 29 2HG2 THR 29 17.453 8.014 19.782 191 3HG2 THR 29 3HG2 THR 29 16.145 8.604 20.807 192 H GLY 30 H GLY 30 17.909 7.770 16.117 193 1HA GLY 30 2HA GLY 30 19.406 5.443 17.140 194 2HA GLY 30 1HA GLY 30 19.713 6.257 15.611 195 H ALA 31 H ALA 31 19.594 8.888 16.559 196 HA ALA 31 HA ALA 31 21.390 9.283 18.758 197 1HB ALA 31 1HB ALA 31 22.391 9.833 15.962 198 2HB ALA 31 2HB ALA 31 23.027 8.627 17.081 199 3HB ALA 31 3HB ALA 31 23.186 10.342 17.451 200 H ALA 32 H ALA 32 21.991 11.724 18.813 201 HA ALA 32 HA ALA 32 19.584 13.235 18.482 202 1HB ALA 32 1HB ALA 32 20.857 15.092 19.413 203 2HB ALA 32 2HB ALA 32 22.355 14.183 19.222 204 3HB ALA 32 3HB ALA 32 21.126 13.628 20.358 205 H GLY 33 H GLY 33 19.044 14.629 16.874 206 1HA GLY 33 2HA GLY 33 20.965 15.643 15.005 207 2HA GLY 33 1HA GLY 33 19.996 14.341 14.331 208 H THR 34 H THR 34 19.209 15.898 12.813 209 HA THR 34 HA THR 34 17.002 17.475 13.878 210 HB THR 34 HB THR 34 18.842 19.071 13.630 211 HG1 THR 34 1HG THR 34 17.527 19.926 11.422 212 1HG2 THR 34 1HG2 THR 34 18.935 18.234 10.728 213 2HG2 THR 34 2HG2 THR 34 20.148 17.840 11.945 214 3HG2 THR 34 3HG2 THR 34 19.885 19.519 11.479 215 H ALA 35 H ALA 35 15.336 17.836 12.341 216 HA ALA 35 HA ALA 35 15.383 15.812 10.221 217 1HB ALA 35 1HB ALA 35 13.643 15.593 11.925 218 2HB ALA 35 2HB ALA 35 12.964 15.868 10.320 219 3HB ALA 35 3HB ALA 35 13.022 17.185 11.493 220 HA PRO 36 HA PRO 36 15.304 19.352 7.416 221 1HB PRO 36 2HB PRO 36 16.232 17.572 5.369 222 2HB PRO 36 1HB PRO 36 17.146 18.829 6.201 223 1HG PRO 36 2HG PRO 36 17.619 16.119 6.439 224 2HG PRO 36 1HG PRO 36 18.117 17.340 7.624 225 1HD PRO 36 2HD PRO 36 15.758 15.500 7.668 226 2HD PRO 36 1HD PRO 36 16.807 16.024 9.004 227 H THR 37 H THR 37 13.405 19.866 6.498 228 HA THR 37 HA THR 37 11.591 17.714 5.788 229 HB THR 37 HB THR 37 10.614 19.440 7.118 230 HG1 THR 37 1HG THR 37 9.361 18.579 5.289 231 1HG2 THR 37 1HG2 THR 37 12.137 21.273 6.605 232 2HG2 THR 37 2HG2 THR 37 10.460 21.778 6.402 233 3HG2 THR 37 3HG2 THR 37 11.447 21.408 4.987 234 H ALA 38 H ALA 38 11.963 16.840 3.900 235 HA ALA 38 HA ALA 38 12.023 18.585 1.536 236 1HB ALA 38 1HB ALA 38 13.703 17.160 0.487 237 2HB ALA 38 2HB ALA 38 13.796 16.170 1.943 238 3HB ALA 38 3HB ALA 38 14.323 17.854 1.984 239 HA PRO 39 HA PRO 39 8.506 15.888 0.851 240 1HB PRO 39 2HB PRO 39 8.435 17.380 -1.706 241 2HB PRO 39 1HB PRO 39 7.167 17.156 -0.496 242 1HG PRO 39 2HG PRO 39 8.411 19.501 -0.753 243 2HG PRO 39 1HG PRO 39 7.956 18.875 0.844 244 1HD PRO 39 2HD PRO 39 10.637 18.896 -0.492 245 2HD PRO 39 1HD PRO 39 10.221 19.215 1.205 246 H GLN 40 H GLN 40 9.199 13.884 0.425 247 HA GLN 40 HA GLN 40 10.731 13.257 -1.945 248 1HB GLN 40 2HB GLN 40 9.475 11.465 0.145 249 2HB GLN 40 1HB GLN 40 10.534 10.916 -1.148 250 1HG GLN 40 2HG GLN 40 12.360 12.236 -0.240 251 2HG GLN 40 1HG GLN 40 11.305 12.843 1.036 252 1HE2 GLN 40 1HE2 GLN 40 12.614 12.011 2.666 253 2HE2 GLN 40 2HE2 GLN 40 12.728 10.313 3.001 254 HA PRO 41 HA PRO 41 7.045 12.954 -4.438 255 1HB PRO 41 2HB PRO 41 8.846 11.639 -6.364 256 2HB PRO 41 1HB PRO 41 7.896 13.116 -6.546 257 1HG PRO 41 2HG PRO 41 10.567 13.179 -6.305 258 2HG PRO 41 1HG PRO 41 9.536 14.444 -5.608 259 1HD PRO 41 2HD PRO 41 10.879 12.131 -4.261 260 2HD PRO 41 1HD PRO 41 10.687 13.807 -3.701 261 H THR 42 H THR 42 5.548 11.387 -4.675 262 HA THR 42 HA THR 42 6.370 8.616 -4.856 263 HB THR 42 HB THR 42 6.217 8.958 -2.441 264 HG1 THR 42 1HG THR 42 4.347 7.397 -2.134 265 1HG2 THR 42 1HG2 THR 42 4.653 10.827 -2.381 266 2HG2 THR 42 2HG2 THR 42 4.078 9.503 -1.367 267 3HG2 THR 42 3HG2 THR 42 3.356 9.778 -2.952 268 H ALA 43 H ALA 43 5.023 7.411 -6.025 269 HA ALA 43 HA ALA 43 2.347 8.457 -6.649 270 1HB ALA 43 1HB ALA 43 2.636 7.838 -8.997 271 2HB ALA 43 2HB ALA 43 4.299 7.347 -8.671 272 3HB ALA 43 3HB ALA 43 3.830 9.041 -8.510 273 H ALA 44 H ALA 44 1.048 6.639 -7.799 274 HA ALA 44 HA ALA 44 1.821 4.003 -6.812 275 1HB ALA 44 1HB ALA 44 0.490 4.986 -5.006 276 2HB ALA 44 2HB ALA 44 -0.347 3.628 -5.758 277 3HB ALA 44 3HB ALA 44 -0.830 5.281 -6.138 278 HA PRO 45 HA PRO 45 -0.121 3.826 -10.961 279 1HB PRO 45 2HB PRO 45 1.822 2.452 -12.192 280 2HB PRO 45 1HB PRO 45 1.939 4.193 -11.944 281 1HG PRO 45 2HG PRO 45 3.246 1.968 -10.443 282 2HG PRO 45 1HG PRO 45 3.903 3.546 -10.910 283 1HD PRO 45 2HD PRO 45 2.921 2.921 -8.399 284 2HD PRO 45 1HD PRO 45 3.061 4.566 -9.052 285 H SER 46 H SER 46 1.021 1.551 -8.680 286 HA SER 46 HA SER 46 -1.029 -0.334 -9.478 287 1HB SER 46 2HB SER 46 1.855 -1.205 -9.147 288 2HB SER 46 1HB SER 46 0.477 -2.260 -9.465 289 HG SER 46 HG SER 46 0.487 -0.363 -11.319 290 H ILE 47 H ILE 47 -2.044 -1.041 -7.721 291 HA ILE 47 HA ILE 47 -0.936 -0.424 -5.105 292 HB ILE 47 HB ILE 47 -3.618 -1.542 -5.930 293 1HG1 ILE 47 2HG1 ILE 47 -3.280 0.812 -6.536 294 2HG1 ILE 47 1HG1 ILE 47 -4.475 0.660 -5.255 295 1HG2 ILE 47 1HG2 ILE 47 -2.995 -2.379 -3.731 296 2HG2 ILE 47 2HG2 ILE 47 -4.319 -1.219 -3.616 297 3HG2 ILE 47 3HG2 ILE 47 -2.678 -0.733 -3.186 298 1HD1 ILE 47 1HD1 ILE 47 -2.806 1.312 -3.609 299 2HD1 ILE 47 2HD1 ILE 47 -2.974 2.536 -4.868 300 3HD1 ILE 47 3HD1 ILE 47 -1.593 1.437 -4.882 301 H ASP 48 H ASP 48 0.513 -1.879 -4.386 302 HA ASP 48 HA ASP 48 0.351 -4.650 -5.178 303 1HB ASP 48 2HB ASP 48 2.490 -3.198 -4.785 304 2HB ASP 48 1HB ASP 48 2.245 -3.615 -3.092 305 H VAL 49 H VAL 49 -1.153 -5.852 -4.224 306 HA VAL 49 HA VAL 49 -2.259 -5.107 -1.680 307 HB VAL 49 HB VAL 49 -2.839 -7.594 -3.300 308 1HG1 VAL 49 1HG1 VAL 49 -3.673 -7.724 -1.028 309 2HG1 VAL 49 2HG1 VAL 49 -5.014 -7.535 -2.158 310 3HG1 VAL 49 3HG1 VAL 49 -4.463 -6.157 -1.205 311 1HG2 VAL 49 1HG2 VAL 49 -4.697 -6.346 -4.284 312 2HG2 VAL 49 2HG2 VAL 49 -3.142 -5.610 -4.676 313 3HG2 VAL 49 3HG2 VAL 49 -4.170 -4.892 -3.435 314 H ALA 50 H ALA 50 0.270 -7.161 -2.686 315 HA ALA 50 HA ALA 50 0.054 -9.278 -0.876 316 1HB ALA 50 1HB ALA 50 2.581 -8.148 -2.065 317 2HB ALA 50 2HB ALA 50 1.526 -9.338 -2.827 318 3HB ALA 50 3HB ALA 50 2.387 -9.747 -1.343 319 HA PRO 51 HA PRO 51 3.058 -7.028 2.157 320 1HB PRO 51 2HB PRO 51 3.320 -4.322 1.896 321 2HB PRO 51 1HB PRO 51 4.438 -5.486 1.178 322 1HG PRO 51 2HG PRO 51 2.147 -4.035 -0.084 323 2HG PRO 51 1HG PRO 51 3.771 -4.341 -0.730 324 1HD PRO 51 2HD PRO 51 1.651 -5.809 -1.484 325 2HD PRO 51 1HD PRO 51 3.267 -6.523 -1.309 326 H ILE 52 H ILE 52 0.295 -5.230 0.918 327 HA ILE 52 HA ILE 52 -0.391 -3.847 3.254 328 HB ILE 52 HB ILE 52 -2.209 -4.825 1.050 329 1HG1 ILE 52 2HG1 ILE 52 -0.841 -2.160 1.484 330 2HG1 ILE 52 1HG1 ILE 52 -0.408 -3.349 0.261 331 1HG2 ILE 52 1HG2 ILE 52 -3.508 -4.297 3.023 332 2HG2 ILE 52 2HG2 ILE 52 -3.736 -3.038 1.810 333 3HG2 ILE 52 3HG2 ILE 52 -2.679 -2.750 3.192 334 1HD1 ILE 52 1HD1 ILE 52 -2.550 -3.028 -0.832 335 2HD1 ILE 52 2HD1 ILE 52 -1.694 -1.496 -0.667 336 3HD1 ILE 52 3HD1 ILE 52 -3.032 -1.880 0.416 337 H LEU 53 H LEU 53 -1.365 -7.059 2.090 338 HA LEU 53 HA LEU 53 -2.937 -7.459 4.505 339 1HB LEU 53 2HB LEU 53 -2.737 -8.805 1.876 340 2HB LEU 53 1HB LEU 53 -3.160 -9.813 3.246 341 HG LEU 53 HG LEU 53 -5.099 -8.391 3.716 342 1HD1 LEU 53 1HD1 LEU 53 -4.249 -6.266 2.911 343 2HD1 LEU 53 2HD1 LEU 53 -5.780 -6.664 2.131 344 3HD1 LEU 53 3HD1 LEU 53 -4.263 -6.870 1.253 345 1HD2 LEU 53 1HD2 LEU 53 -4.947 -9.307 0.851 346 2HD2 LEU 53 2HD2 LEU 53 -6.425 -8.986 1.760 347 3HD2 LEU 53 3HD2 LEU 53 -5.361 -10.305 2.247 348 H ASP 54 H ASP 54 0.072 -8.501 3.074 349 HA ASP 54 HA ASP 54 0.555 -10.773 4.660 350 1HB ASP 54 2HB ASP 54 1.824 -10.117 2.593 351 2HB ASP 54 1HB ASP 54 2.641 -8.885 3.549 352 H LYS 55 H LYS 55 1.193 -7.352 5.202 353 HA LYS 55 HA LYS 55 2.459 -7.928 7.755 354 1HB LYS 55 2HB LYS 55 1.743 -5.200 6.686 355 2HB LYS 55 1HB LYS 55 2.951 -5.601 7.899 356 1HG LYS 55 2HG LYS 55 3.067 -6.099 4.938 357 2HG LYS 55 1HG LYS 55 4.121 -5.078 5.916 358 1HD LYS 55 2HD LYS 55 5.222 -6.903 6.855 359 2HD LYS 55 1HD LYS 55 3.923 -8.024 6.434 360 1HE LYS 55 2HE LYS 55 4.475 -7.672 4.039 361 2HE LYS 55 1HE LYS 55 5.857 -6.695 4.542 362 1HZ LYS 55 1HZ LYS 55 6.569 -8.917 4.076 363 2HZ LYS 55 2HZ LYS 55 5.404 -9.576 5.109 364 3HZ LYS 55 3HZ LYS 55 6.694 -8.661 5.749 365 H ALA 56 H ALA 56 -0.618 -7.031 6.459 366 HA ALA 56 HA ALA 56 -1.833 -6.046 8.813 367 1HB ALA 56 1HB ALA 56 -3.956 -6.504 7.720 368 2HB ALA 56 2HB ALA 56 -3.138 -7.490 6.509 369 3HB ALA 56 3HB ALA 56 -2.830 -5.755 6.585 370 H VAL 57 H VAL 57 -1.002 -9.215 7.722 371 HA VAL 57 HA VAL 57 -2.645 -10.797 9.350 372 HB VAL 57 HB VAL 57 0.210 -11.262 8.443 373 1HG1 VAL 57 1HG1 VAL 57 -1.752 -13.238 9.612 374 2HG1 VAL 57 2HG1 VAL 57 -0.294 -12.637 10.401 375 3HG1 VAL 57 3HG1 VAL 57 -0.165 -13.626 8.946 376 1HG2 VAL 57 1HG2 VAL 57 -2.430 -12.209 7.340 377 2HG2 VAL 57 2HG2 VAL 57 -0.848 -12.741 6.777 378 3HG2 VAL 57 3HG2 VAL 57 -1.326 -11.054 6.597 379 H LYS 58 H LYS 58 0.424 -9.210 9.945 380 HA LYS 58 HA LYS 58 0.656 -10.168 12.650 381 1HB LYS 58 2HB LYS 58 2.221 -7.960 11.313 382 2HB LYS 58 1HB LYS 58 2.715 -8.949 12.682 383 1HG LYS 58 2HG LYS 58 2.950 -10.876 11.302 384 2HG LYS 58 1HG LYS 58 2.200 -10.055 9.934 385 1HD LYS 58 2HD LYS 58 4.481 -9.991 9.451 386 2HD LYS 58 1HD LYS 58 4.134 -8.394 10.110 387 1HE LYS 58 2HE LYS 58 5.168 -10.645 11.818 388 2HE LYS 58 1HE LYS 58 6.248 -9.568 10.938 389 1HZ LYS 58 1HZ LYS 58 5.569 -7.742 12.209 390 2HZ LYS 58 2HZ LYS 58 5.742 -8.996 13.335 391 3HZ LYS 58 3HZ LYS 58 4.200 -8.538 12.816 392 H ALA 59 H ALA 59 -0.555 -7.363 10.996 393 HA ALA 59 HA ALA 59 -0.670 -5.677 13.317 394 1HB ALA 59 1HB ALA 59 -1.897 -4.138 11.875 395 2HB ALA 59 2HB ALA 59 -2.021 -5.387 10.635 396 3HB ALA 59 3HB ALA 59 -0.443 -4.733 11.077 397 H LYS 60 H LYS 60 -2.730 -8.054 11.860 398 HA LYS 60 HA LYS 60 -5.137 -7.227 13.165 399 1HB LYS 60 2HB LYS 60 -5.041 -8.664 11.093 400 2HB LYS 60 1HB LYS 60 -4.469 -9.981 12.111 401 1HG LYS 60 2HG LYS 60 -6.823 -10.241 11.742 402 2HG LYS 60 1HG LYS 60 -6.557 -9.807 13.433 403 1HD LYS 60 2HD LYS 60 -7.092 -7.470 12.903 404 2HD LYS 60 1HD LYS 60 -7.391 -7.925 11.225 405 1HE LYS 60 2HE LYS 60 -9.164 -9.472 12.029 406 2HE LYS 60 1HE LYS 60 -8.918 -8.839 13.657 407 1HZ LYS 60 1HZ LYS 60 -9.477 -6.618 12.800 408 2HZ LYS 60 2HZ LYS 60 -10.756 -7.720 12.620 409 3HZ LYS 60 3HZ LYS 60 -9.805 -7.297 11.281 410 H GLY 61 H GLY 61 -3.022 -10.047 13.657 411 1HA GLY 61 2HA GLY 61 -2.075 -10.067 16.000 412 2HA GLY 61 1HA GLY 61 -3.744 -9.920 16.517 413 H GLU 62 H GLU 62 -3.449 -11.896 13.778 414 HA GLU 62 HA GLU 62 -3.078 -14.309 15.368 415 1HB GLU 62 2HB GLU 62 -5.093 -15.360 14.427 416 2HB GLU 62 1HB GLU 62 -5.481 -13.965 15.423 417 1HG GLU 62 2HG GLU 62 -5.800 -12.613 13.413 418 2HG GLU 62 1HG GLU 62 -5.400 -14.008 12.411 419 H LYS 63 H LYS 63 -2.890 -16.259 13.998 420 HA LYS 63 HA LYS 63 -1.122 -15.800 11.809 421 1HB LYS 63 2HB LYS 63 -1.342 -17.818 13.512 422 2HB LYS 63 1HB LYS 63 -2.444 -18.446 12.301 423 1HG LYS 63 2HG LYS 63 0.399 -17.651 11.723 424 2HG LYS 63 1HG LYS 63 -0.098 -19.285 12.152 425 1HD LYS 63 2HD LYS 63 -1.030 -17.717 9.748 426 2HD LYS 63 1HD LYS 63 0.141 -19.034 9.735 427 1HE LYS 63 2HE LYS 63 -1.685 -20.487 10.722 428 2HE LYS 63 1HE LYS 63 -2.799 -19.168 10.357 429 1HZ LYS 63 1HZ LYS 63 -2.966 -20.481 8.492 430 2HZ LYS 63 2HZ LYS 63 -1.331 -20.926 8.511 431 3HZ LYS 63 3HZ LYS 63 -1.773 -19.375 8.002 432 H LEU 64 H LEU 64 -1.838 -15.107 9.884 433 HA LEU 64 HA LEU 64 -4.424 -16.121 8.910 434 1HB LEU 64 2HB LEU 64 -3.144 -13.437 8.405 435 2HB LEU 64 1HB LEU 64 -4.613 -14.001 7.631 436 HG LEU 64 HG LEU 64 -4.261 -13.531 10.590 437 1HD1 LEU 64 1HD1 LEU 64 -5.777 -11.658 10.253 438 2HD1 LEU 64 2HD1 LEU 64 -5.807 -11.983 8.519 439 3HD1 LEU 64 3HD1 LEU 64 -4.311 -11.463 9.293 440 1HD2 LEU 64 1HD2 LEU 64 -5.820 -15.340 10.129 441 2HD2 LEU 64 2HD2 LEU 64 -6.691 -14.314 8.989 442 3HD2 LEU 64 3HD2 LEU 64 -6.674 -13.909 10.706 443 H GLU 65 H GLU 65 -4.558 -16.936 6.934 444 HA GLU 65 HA GLU 65 -2.122 -16.920 5.271 445 1HB GLU 65 2HB GLU 65 -2.928 -19.174 4.460 446 2HB GLU 65 1HB GLU 65 -2.366 -19.123 6.125 447 1HG GLU 65 2HG GLU 65 -4.852 -18.791 6.719 448 2HG GLU 65 1HG GLU 65 -5.158 -19.386 5.087 449 H TRP 66 H TRP 66 -3.424 -14.875 4.671 450 HA TRP 66 HA TRP 66 -5.837 -15.002 3.270 451 1HB TRP 66 2HB TRP 66 -5.339 -12.757 2.493 452 2HB TRP 66 1HB TRP 66 -4.875 -12.921 4.180 453 HD1 TRP 66 HD TRP 66 -2.285 -12.718 4.768 454 HE1 TRP 66 1HE TRP 66 -0.275 -11.787 3.451 455 HE3 TRP 66 3HE TRP 66 -4.368 -12.588 0.095 456 HZ2 TRP 66 2HZ TRP 66 0.339 -11.104 0.780 457 HZ3 TRP 66 3HZ TRP 66 -3.006 -11.779 -1.784 458 HH2 TRP 66 HH TRP 66 -0.699 -11.053 -1.445 459 H ARG 67 H ARG 67 -2.716 -15.918 2.296 460 HA ARG 67 HA ARG 67 -2.881 -15.429 -0.483 461 1HB ARG 67 2HB ARG 67 -0.808 -15.856 0.917 462 2HB ARG 67 1HB ARG 67 -1.239 -17.559 0.888 463 1HG ARG 67 2HG ARG 67 -0.844 -17.737 -1.407 464 2HG ARG 67 1HG ARG 67 -0.888 -15.988 -1.640 465 1HD ARG 67 2HD ARG 67 1.245 -17.585 -0.223 466 2HD ARG 67 1HD ARG 67 1.399 -16.731 -1.760 467 HE ARG 67 HE ARG 67 0.632 -14.830 0.064 468 1HH1 ARG 67 1HH1 ARG 67 3.361 -16.984 -0.346 469 2HH1 ARG 67 2HH1 ARG 67 4.449 -15.965 0.565 470 1HH2 ARG 67 1HH2 ARG 67 2.051 -13.521 1.290 471 2HH2 ARG 67 2HH2 ARG 67 3.691 -14.032 1.529 472 H THR 68 H THR 68 -4.215 -17.866 1.563 473 HA THR 68 HA THR 68 -5.158 -19.290 -0.828 474 HB THR 68 HB THR 68 -3.501 -20.709 0.196 475 HG1 THR 68 1HG THR 68 -4.732 -22.426 0.026 476 1HG2 THR 68 1HG2 THR 68 -3.511 -19.767 2.454 477 2HG2 THR 68 2HG2 THR 68 -3.693 -21.522 2.494 478 3HG2 THR 68 3HG2 THR 68 -5.097 -20.485 2.749 479 H SER 69 H SER 69 -5.856 -18.186 2.440 480 HA SER 69 HA SER 69 -8.567 -19.264 2.241 481 1HB SER 69 2HB SER 69 -7.026 -18.175 4.604 482 2HB SER 69 1HB SER 69 -8.679 -18.781 4.681 483 HG SER 69 HG SER 69 -6.541 -20.184 4.995 484 H ILE 70 H ILE 70 -10.236 -17.996 1.846 485 HA ILE 70 HA ILE 70 -9.804 -15.191 1.394 486 HB ILE 70 HB ILE 70 -11.245 -16.538 -0.091 487 1HG1 ILE 70 2HG1 ILE 70 -13.088 -14.894 -0.266 488 2HG1 ILE 70 1HG1 ILE 70 -12.643 -14.255 1.317 489 1HG2 ILE 70 1HG2 ILE 70 -13.116 -16.632 2.267 490 2HG2 ILE 70 2HG2 ILE 70 -12.303 -18.003 1.509 491 3HG2 ILE 70 3HG2 ILE 70 -13.534 -17.105 0.620 492 1HD1 ILE 70 1HD1 ILE 70 -10.943 -14.224 -1.169 493 2HD1 ILE 70 2HD1 ILE 70 -10.429 -13.655 0.418 494 3HD1 ILE 70 3HD1 ILE 70 -11.751 -12.845 -0.425 495 H VAL 71 H VAL 71 -11.236 -17.175 3.867 496 HA VAL 71 HA VAL 71 -12.719 -15.173 5.188 497 HB VAL 71 HB VAL 71 -13.170 -17.514 5.621 498 1HG1 VAL 71 1HG1 VAL 71 -10.423 -17.641 6.862 499 2HG1 VAL 71 2HG1 VAL 71 -10.931 -18.421 5.364 500 3HG1 VAL 71 3HG1 VAL 71 -11.630 -18.927 6.903 501 1HG2 VAL 71 1HG2 VAL 71 -13.739 -15.955 7.394 502 2HG2 VAL 71 2HG2 VAL 71 -12.127 -16.133 8.091 503 3HG2 VAL 71 3HG2 VAL 71 -13.235 -17.504 8.072 504 H ASP 72 H ASP 72 -9.364 -16.103 5.275 505 HA ASP 72 HA ASP 72 -8.657 -14.870 7.709 506 1HB ASP 72 2HB ASP 72 -7.068 -15.755 5.312 507 2HB ASP 72 1HB ASP 72 -6.300 -14.959 6.682 508 H LEU 73 H LEU 73 -8.246 -13.742 4.340 509 HA LEU 73 HA LEU 73 -7.198 -11.222 5.136 510 1HB LEU 73 2HB LEU 73 -7.536 -10.543 2.806 511 2HB LEU 73 1HB LEU 73 -6.699 -12.073 2.947 512 HG LEU 73 HG LEU 73 -9.145 -13.040 2.590 513 1HD1 LEU 73 1HD1 LEU 73 -10.391 -11.681 0.981 514 2HD1 LEU 73 2HD1 LEU 73 -9.233 -10.368 1.197 515 3HD1 LEU 73 3HD1 LEU 73 -10.254 -10.876 2.543 516 1HD2 LEU 73 1HD2 LEU 73 -7.193 -13.501 1.203 517 2HD2 LEU 73 2HD2 LEU 73 -7.410 -11.958 0.378 518 3HD2 LEU 73 3HD2 LEU 73 -8.628 -13.222 0.214 519 H MET 74 H MET 74 -10.393 -12.449 4.603 520 HA MET 74 HA MET 74 -11.839 -10.083 4.381 521 1HB MET 74 2HB MET 74 -12.856 -12.231 3.960 522 2HB MET 74 1HB MET 74 -12.579 -12.737 5.620 523 1HG MET 74 2HG MET 74 -14.154 -11.081 6.410 524 2HG MET 74 1HG MET 74 -14.405 -10.504 4.765 525 1HE MET 74 1HE MET 74 -14.959 -13.453 7.301 526 2HE MET 74 2HE MET 74 -13.971 -14.195 6.043 527 3HE MET 74 3HE MET 74 -15.651 -14.689 6.252 528 H LYS 75 H LYS 75 -11.241 -12.016 7.327 529 HA LYS 75 HA LYS 75 -12.346 -10.061 9.051 530 1HB LYS 75 2HB LYS 75 -11.178 -11.380 10.866 531 2HB LYS 75 1HB LYS 75 -12.312 -12.274 9.866 532 1HG LYS 75 2HG LYS 75 -10.432 -13.167 8.562 533 2HG LYS 75 1HG LYS 75 -9.314 -12.302 9.616 534 1HD LYS 75 2HD LYS 75 -9.932 -13.613 11.494 535 2HD LYS 75 1HD LYS 75 -11.318 -14.299 10.643 536 1HE LYS 75 2HE LYS 75 -9.857 -15.494 9.141 537 2HE LYS 75 1HE LYS 75 -8.442 -14.722 9.847 538 1HZ LYS 75 1HZ LYS 75 -8.794 -15.874 11.885 539 2HZ LYS 75 2HZ LYS 75 -8.841 -17.021 10.629 540 3HZ LYS 75 3HZ LYS 75 -10.285 -16.496 11.351 541 H ALA 76 H ALA 76 -9.098 -10.661 7.876 542 HA ALA 76 HA ALA 76 -7.491 -9.265 9.599 543 1HB ALA 76 1HB ALA 76 -7.268 -9.247 6.585 544 2HB ALA 76 2HB ALA 76 -6.677 -10.519 7.653 545 3HB ALA 76 3HB ALA 76 -5.972 -8.905 7.732 546 H LEU 77 H LEU 77 -9.168 -7.867 6.774 547 HA LEU 77 HA LEU 77 -8.240 -5.242 7.238 548 1HB LEU 77 2HB LEU 77 -10.411 -6.408 5.550 549 2HB LEU 77 1HB LEU 77 -10.329 -4.671 5.757 550 HG LEU 77 HG LEU 77 -9.233 -5.258 3.706 551 1HD1 LEU 77 1HD1 LEU 77 -6.982 -4.359 4.103 552 2HD1 LEU 77 2HD1 LEU 77 -7.226 -4.554 5.840 553 3HD1 LEU 77 3HD1 LEU 77 -8.236 -3.431 4.927 554 1HD2 LEU 77 1HD2 LEU 77 -8.712 -7.582 4.165 555 2HD2 LEU 77 2HD2 LEU 77 -7.494 -7.095 5.343 556 3HD2 LEU 77 3HD2 LEU 77 -7.271 -6.716 3.636 557 H ASP 78 H ASP 78 -11.626 -6.395 7.640 558 HA ASP 78 HA ASP 78 -11.918 -4.663 9.963 559 1HB ASP 78 2HB ASP 78 -12.224 -3.075 8.159 560 2HB ASP 78 1HB ASP 78 -13.377 -4.137 7.364 561 H ILE 79 H ILE 79 -12.671 -7.488 8.436 562 HA ILE 79 HA ILE 79 -15.524 -7.423 9.024 563 HB ILE 79 HB ILE 79 -13.952 -9.570 7.596 564 1HG1 ILE 79 2HG1 ILE 79 -13.810 -7.413 6.423 565 2HG1 ILE 79 1HG1 ILE 79 -14.822 -8.546 5.535 566 1HG2 ILE 79 1HG2 ILE 79 -16.895 -9.026 7.391 567 2HG2 ILE 79 2HG2 ILE 79 -16.238 -10.099 8.615 568 3HG2 ILE 79 3HG2 ILE 79 -16.003 -10.472 6.910 569 1HD1 ILE 79 1HD1 ILE 79 -15.774 -6.306 5.551 570 2HD1 ILE 79 2HD1 ILE 79 -15.819 -6.341 7.314 571 3HD1 ILE 79 3HD1 ILE 79 -16.817 -7.458 6.387 572 H ASP 80 H ASP 80 -16.589 -9.035 10.227 573 HA ASP 80 HA ASP 80 -14.975 -9.879 12.527 574 1HB ASP 80 2HB ASP 80 -17.959 -9.641 12.125 575 2HB ASP 80 1HB ASP 80 -17.241 -10.324 13.579 576 H SER 81 H SER 81 -15.920 -11.285 9.738 577 HA SER 81 HA SER 81 -16.218 -13.357 8.919 578 1HB SER 81 2HB SER 81 -14.901 -15.169 9.935 579 2HB SER 81 1HB SER 81 -13.972 -13.683 9.804 580 HG SER 81 HG SER 81 -15.080 -13.571 12.158 581 H SER 82 H SER 82 -18.167 -12.358 11.098 582 HA SER 82 HA SER 82 -19.221 -14.836 12.143 583 1HB SER 82 2HB SER 82 -20.389 -12.046 12.235 584 2HB SER 82 1HB SER 82 -20.914 -13.427 13.199 585 HG SER 82 HG SER 82 -18.611 -13.444 13.943 586 H LEU 83 H LEU 83 -21.835 -14.852 11.951 587 HA LEU 83 HA LEU 83 -22.397 -15.994 9.520 588 1HB LEU 83 2HB LEU 83 -23.766 -16.183 11.588 589 2HB LEU 83 1HB LEU 83 -24.380 -14.571 11.304 590 HG LEU 83 HG LEU 83 -25.891 -16.526 10.680 591 1HD1 LEU 83 1HD1 LEU 83 -25.275 -14.470 8.575 592 2HD1 LEU 83 2HD1 LEU 83 -26.371 -14.275 9.943 593 3HD1 LEU 83 3HD1 LEU 83 -26.747 -15.436 8.670 594 1HD2 LEU 83 1HD2 LEU 83 -24.226 -17.929 9.613 595 2HD2 LEU 83 2HD2 LEU 83 -23.964 -16.701 8.374 596 3HD2 LEU 83 3HD2 LEU 83 -25.519 -17.530 8.481 597 H SER 84 H SER 84 -23.316 -12.695 10.507 598 HA SER 84 HA SER 84 -24.693 -11.894 8.275 599 1HB SER 84 2HB SER 84 -24.541 -10.553 10.319 600 2HB SER 84 1HB SER 84 -22.843 -10.220 9.986 601 HG SER 84 HG SER 84 -23.456 -8.654 8.742 602 H ALA 85 H ALA 85 -21.201 -11.630 8.803 603 HA ALA 85 HA ALA 85 -20.642 -10.300 6.384 604 1HB ALA 85 1HB ALA 85 -18.835 -11.992 8.097 605 2HB ALA 85 2HB ALA 85 -19.154 -10.271 8.321 606 3HB ALA 85 3HB ALA 85 -18.320 -10.834 6.872 607 H ARG 86 H ARG 86 -20.426 -13.718 7.311 608 HA ARG 86 HA ARG 86 -19.202 -14.629 4.964 609 1HB ARG 86 2HB ARG 86 -21.001 -16.160 6.851 610 2HB ARG 86 1HB ARG 86 -19.882 -16.867 5.693 611 1HG ARG 86 2HG ARG 86 -18.010 -15.808 6.881 612 2HG ARG 86 1HG ARG 86 -19.146 -15.158 8.062 613 1HD ARG 86 2HD ARG 86 -18.573 -18.065 7.511 614 2HD ARG 86 1HD ARG 86 -18.094 -17.153 8.939 615 HE ARG 86 HE ARG 86 -20.927 -17.607 8.275 616 1HH1 ARG 86 1HH1 ARG 86 -18.295 -17.613 10.569 617 2HH1 ARG 86 2HH1 ARG 86 -19.252 -18.250 11.872 618 1HH2 ARG 86 1HH2 ARG 86 -22.204 -18.459 9.976 619 2HH2 ARG 86 2HH2 ARG 86 -21.477 -18.758 11.522 620 H LYS 87 H LYS 87 -22.593 -14.092 5.752 621 HA LYS 87 HA LYS 87 -23.408 -15.399 3.296 622 1HB LYS 87 2HB LYS 87 -25.727 -14.780 3.997 623 2HB LYS 87 1HB LYS 87 -24.867 -15.835 5.101 624 1HG LYS 87 2HG LYS 87 -25.810 -14.412 6.585 625 2HG LYS 87 1HG LYS 87 -24.298 -13.556 6.290 626 1HD LYS 87 2HD LYS 87 -25.370 -12.028 4.803 627 2HD LYS 87 1HD LYS 87 -26.857 -12.984 4.802 628 1HE LYS 87 2HE LYS 87 -27.154 -12.518 7.187 629 2HE LYS 87 1HE LYS 87 -25.670 -11.566 7.187 630 1HZ LYS 87 1HZ LYS 87 -27.767 -10.252 7.020 631 2HZ LYS 87 2HZ LYS 87 -28.017 -10.920 5.479 632 3HZ LYS 87 3HZ LYS 87 -26.661 -9.952 5.776 633 H GLU 88 H GLU 88 -22.893 -12.130 4.439 634 HA GLU 88 HA GLU 88 -24.392 -10.919 2.333 635 1HB GLU 88 2HB GLU 88 -23.468 -8.821 2.995 636 2HB GLU 88 1HB GLU 88 -23.823 -9.730 4.453 637 1HG GLU 88 2HG GLU 88 -21.528 -10.194 4.820 638 2HG GLU 88 1HG GLU 88 -21.086 -9.576 3.228 639 H LEU 89 H LEU 89 -21.024 -11.864 2.708 640 HA LEU 89 HA LEU 89 -20.129 -10.639 0.305 641 1HB LEU 89 2HB LEU 89 -18.572 -11.220 2.057 642 2HB LEU 89 1HB LEU 89 -18.997 -12.914 1.927 643 HG LEU 89 HG LEU 89 -17.967 -13.047 -0.270 644 1HD1 LEU 89 1HD1 LEU 89 -18.456 -10.786 -1.052 645 2HD1 LEU 89 2HD1 LEU 89 -16.741 -11.165 -1.217 646 3HD1 LEU 89 3HD1 LEU 89 -17.292 -10.131 0.098 647 1HD2 LEU 89 1HD2 LEU 89 -16.564 -13.450 1.668 648 2HD2 LEU 89 2HD2 LEU 89 -16.196 -11.728 1.784 649 3HD2 LEU 89 3HD2 LEU 89 -15.635 -12.657 0.394 650 H ALA 90 H ALA 90 -21.206 -13.911 1.110 651 HA ALA 90 HA ALA 90 -20.651 -14.992 -1.450 652 1HB ALA 90 1HB ALA 90 -21.929 -16.932 -0.685 653 2HB ALA 90 2HB ALA 90 -22.478 -16.011 0.716 654 3HB ALA 90 3HB ALA 90 -20.765 -16.393 0.526 655 H LYS 91 H LYS 91 -23.451 -13.381 -0.067 656 HA LYS 91 HA LYS 91 -25.306 -14.266 -2.046 657 1HB LYS 91 2HB LYS 91 -26.876 -12.783 -1.080 658 2HB LYS 91 1HB LYS 91 -25.898 -13.368 0.258 659 1HG LYS 91 2HG LYS 91 -24.597 -11.288 0.200 660 2HG LYS 91 1HG LYS 91 -25.613 -10.700 -1.118 661 1HD LYS 91 2HD LYS 91 -27.581 -10.898 0.376 662 2HD LYS 91 1HD LYS 91 -26.503 -11.369 1.688 663 1HE LYS 91 2HE LYS 91 -27.010 -9.035 1.907 664 2HE LYS 91 1HE LYS 91 -25.322 -9.198 1.421 665 1HZ LYS 91 1HZ LYS 91 -25.927 -8.653 -0.841 666 2HZ LYS 91 2HZ LYS 91 -26.500 -7.442 0.200 667 3HZ LYS 91 3HZ LYS 91 -27.573 -8.598 -0.424 668 H GLU 92 H GLU 92 -23.022 -11.649 -1.847 669 HA GLU 92 HA GLU 92 -24.166 -10.078 -3.948 670 1HB GLU 92 2HB GLU 92 -21.366 -10.067 -2.806 671 2HB GLU 92 1HB GLU 92 -22.018 -8.851 -3.891 672 1HG GLU 92 2HG GLU 92 -23.046 -9.461 -1.131 673 2HG GLU 92 1HG GLU 92 -22.005 -8.108 -1.571 674 H LEU 93 H LEU 93 -21.792 -12.628 -3.720 675 HA LEU 93 HA LEU 93 -20.888 -12.247 -6.439 676 1HB LEU 93 2HB LEU 93 -20.198 -14.379 -4.423 677 2HB LEU 93 1HB LEU 93 -19.397 -14.139 -5.967 678 HG LEU 93 HG LEU 93 -19.431 -12.141 -3.707 679 1HD1 LEU 93 1HD1 LEU 93 -17.241 -13.961 -4.681 680 2HD1 LEU 93 2HD1 LEU 93 -18.112 -14.099 -3.154 681 3HD1 LEU 93 3HD1 LEU 93 -17.071 -12.707 -3.452 682 1HD2 LEU 93 1HD2 LEU 93 -19.285 -11.086 -5.904 683 2HD2 LEU 93 2HD2 LEU 93 -17.933 -12.135 -6.326 684 3HD2 LEU 93 3HD2 LEU 93 -17.760 -10.951 -5.032 685 H GLY 94 H GLY 94 -22.656 -14.750 -4.627 686 1HA GLY 94 2HA GLY 94 -24.622 -15.690 -5.787 687 2HA GLY 94 1HA GLY 94 -23.629 -15.747 -7.237 688 H TYR 95 H TYR 95 -23.056 -16.756 -3.881 689 HA TYR 95 HA TYR 95 -21.768 -19.166 -4.660 690 1HB TYR 95 2HB TYR 95 -21.277 -18.025 -2.531 691 2HB TYR 95 1HB TYR 95 -22.915 -18.355 -1.978 692 HD1 TYR 95 1HD TYR 95 -19.995 -20.247 -3.357 693 HD2 TYR 95 2HD TYR 95 -23.173 -20.132 -0.533 694 HE1 TYR 95 1HE TYR 95 -19.230 -22.387 -2.417 695 HE2 TYR 95 2HE TYR 95 -22.416 -22.269 0.416 696 HH TYR 95 HH TYR 95 -21.119 -24.188 -0.187 697 H SER 96 H SER 96 -22.734 -20.916 -5.443 698 HA SER 96 HA SER 96 -25.494 -21.491 -4.593 699 1HB SER 96 2HB SER 96 -25.649 -22.495 -7.004 700 2HB SER 96 1HB SER 96 -25.807 -20.753 -6.779 701 HG SER 96 HG SER 96 -23.784 -20.451 -7.546 702 H GLY 97 H GLY 97 -22.734 -22.492 -3.816 703 1HA GLY 97 2HA GLY 97 -23.024 -25.335 -4.466 704 2HA GLY 97 1HA GLY 97 -21.628 -24.591 -3.696 705 H ASP 98 H ASP 98 -22.797 -26.913 -2.690 706 HA ASP 98 HA ASP 98 -23.731 -25.962 -0.090 707 1HB ASP 98 2HB ASP 98 -25.788 -26.432 -1.345 708 2HB ASP 98 1HB ASP 98 -25.206 -28.052 -1.715 709 H MET 99 H MET 99 -23.303 -29.046 -1.838 710 HA MET 99 HA MET 99 -22.403 -30.351 0.553 711 1HB MET 99 2HB MET 99 -22.273 -32.356 -0.807 712 2HB MET 99 1HB MET 99 -23.783 -31.510 -1.114 713 1HG MET 99 2HG MET 99 -22.792 -30.561 -3.162 714 2HG MET 99 1HG MET 99 -21.336 -31.508 -2.864 715 1HE MET 99 1HE MET 99 -21.476 -32.616 -5.260 716 2HE MET 99 2HE MET 99 -22.906 -31.644 -5.608 717 3HE MET 99 3HE MET 99 -22.931 -33.384 -5.896 718 H ASN 100 H ASN 100 -20.806 -28.346 -1.481 719 HA ASN 100 HA ASN 100 -18.294 -29.756 -1.634 720 1HB ASN 100 2HB ASN 100 -17.418 -27.548 -2.435 721 2HB ASN 100 1HB ASN 100 -18.774 -28.166 -3.378 722 1HD2 ASN 100 1HD2 ASN 100 -17.727 -25.760 -1.100 723 2HD2 ASN 100 2HD2 ASN 100 -19.102 -24.719 -1.260 724 H ASP 101 H ASP 101 -19.970 -28.082 0.728 725 HA ASP 101 HA ASP 101 -19.512 -27.490 2.863 726 1HB ASP 101 2HB ASP 101 -18.307 -29.810 2.608 727 2HB ASP 101 1HB ASP 101 -16.837 -28.846 2.712 728 H SER 102 H SER 102 -17.173 -26.799 4.194 729 HA SER 102 HA SER 102 -16.736 -24.179 3.130 730 1HB SER 102 2HB SER 102 -15.420 -25.609 5.455 731 2HB SER 102 1HB SER 102 -15.279 -23.886 5.105 732 HG SER 102 HG SER 102 -17.449 -25.346 6.106 733 H ALA 103 H ALA 103 -15.246 -27.200 2.688 734 HA ALA 103 HA ALA 103 -12.566 -26.567 2.307 735 1HB ALA 103 1HB ALA 103 -14.205 -28.616 0.821 736 2HB ALA 103 2HB ALA 103 -13.425 -28.858 2.383 737 3HB ALA 103 3HB ALA 103 -12.446 -28.583 0.943 738 H SER 104 H SER 104 -14.932 -27.048 -0.330 739 HA SER 104 HA SER 104 -13.284 -25.697 -2.220 740 1HB SER 104 2HB SER 104 -16.233 -26.303 -2.510 741 2HB SER 104 1HB SER 104 -15.031 -26.131 -3.790 742 HG SER 104 HG SER 104 -14.097 -28.054 -3.171 743 H MET 105 H MET 105 -15.682 -24.719 0.041 744 HA MET 105 HA MET 105 -16.651 -22.393 -1.202 745 1HB MET 105 2HB MET 105 -17.711 -23.489 0.753 746 2HB MET 105 1HB MET 105 -16.365 -22.970 1.752 747 1HG MET 105 2HG MET 105 -18.056 -20.992 0.269 748 2HG MET 105 1HG MET 105 -18.548 -21.632 1.834 749 1HE MET 105 1HE MET 105 -15.715 -21.966 3.286 750 2HE MET 105 2HE MET 105 -17.134 -21.284 4.082 751 3HE MET 105 3HE MET 105 -15.595 -20.425 4.135 752 H ASN 106 H ASN 106 -13.893 -22.967 0.932 753 HA ASN 106 HA ASN 106 -13.183 -20.243 1.245 754 1HB ASN 106 2HB ASN 106 -12.432 -22.081 2.755 755 2HB ASN 106 1HB ASN 106 -11.401 -22.681 1.462 756 1HD2 ASN 106 1HD2 ASN 106 -9.546 -22.429 2.664 757 2HD2 ASN 106 2HD2 ASN 106 -8.866 -20.881 3.024 758 H ILE 107 H ILE 107 -12.586 -22.575 -1.260 759 HA ILE 107 HA ILE 107 -10.374 -21.101 -2.408 760 HB ILE 107 HB ILE 107 -11.881 -23.463 -3.538 761 1HG1 ILE 107 2HG1 ILE 107 -9.249 -23.390 -2.048 762 2HG1 ILE 107 1HG1 ILE 107 -10.775 -23.929 -1.360 763 1HG2 ILE 107 1HG2 ILE 107 -9.915 -23.748 -4.971 764 2HG2 ILE 107 2HG2 ILE 107 -9.216 -22.273 -4.304 765 3HG2 ILE 107 3HG2 ILE 107 -10.702 -22.196 -5.252 766 1HD1 ILE 107 1HD1 ILE 107 -9.330 -25.206 -3.673 767 2HD1 ILE 107 2HD1 ILE 107 -10.864 -25.747 -2.988 768 3HD1 ILE 107 3HD1 ILE 107 -9.394 -25.808 -2.016 769 H TRP 108 H TRP 108 -13.684 -21.945 -3.422 770 HA TRP 108 HA TRP 108 -13.712 -20.543 -5.838 771 1HB TRP 108 2HB TRP 108 -15.422 -22.184 -5.304 772 2HB TRP 108 1HB TRP 108 -15.988 -21.209 -3.952 773 HD1 TRP 108 HD TRP 108 -16.102 -21.376 -7.782 774 HE1 TRP 108 1HE TRP 108 -17.994 -19.839 -8.624 775 HE3 TRP 108 3HE TRP 108 -17.340 -19.141 -3.355 776 HZ2 TRP 108 2HZ TRP 108 -19.774 -17.925 -7.529 777 HZ3 TRP 108 3HZ TRP 108 -19.139 -17.469 -3.341 778 HH2 TRP 108 HH TRP 108 -20.327 -16.872 -5.383 779 H LEU 109 H LEU 109 -14.841 -19.541 -2.633 780 HA LEU 109 HA LEU 109 -15.704 -16.968 -3.390 781 1HB LEU 109 2HB LEU 109 -16.204 -18.334 -1.250 782 2HB LEU 109 1HB LEU 109 -14.698 -17.677 -0.643 783 HG LEU 109 HG LEU 109 -15.654 -15.376 -1.025 784 1HD1 LEU 109 1HD1 LEU 109 -17.360 -15.953 -2.648 785 2HD1 LEU 109 2HD1 LEU 109 -18.081 -15.189 -1.232 786 3HD1 LEU 109 3HD1 LEU 109 -18.195 -16.936 -1.444 787 1HD2 LEU 109 1HD2 LEU 109 -17.099 -15.461 0.969 788 2HD2 LEU 109 2HD2 LEU 109 -15.581 -16.331 1.188 789 3HD2 LEU 109 3HD2 LEU 109 -17.074 -17.222 0.886 790 H HIS 110 H HIS 110 -12.610 -18.269 -2.375 791 HA HIS 110 HA HIS 110 -11.288 -15.864 -1.794 792 1HB HIS 110 2HB HIS 110 -10.430 -18.136 -1.225 793 2HB HIS 110 1HB HIS 110 -10.058 -18.386 -2.925 794 HD1 HIS 110 1HD HIS 110 -7.639 -18.104 -3.319 795 HD2 HIS 110 2HD HIS 110 -9.018 -15.510 -0.384 796 HE1 HIS 110 1HE HIS 110 -5.632 -16.774 -2.598 797 HE2 HIS 110 2HE HIS 110 -6.460 -15.330 -0.709 798 H LYS 111 H LYS 111 -11.742 -17.599 -4.842 799 HA LYS 111 HA LYS 111 -10.048 -15.794 -6.308 800 1HB LYS 111 2HB LYS 111 -12.068 -17.800 -7.340 801 2HB LYS 111 1HB LYS 111 -10.866 -16.963 -8.311 802 1HG LYS 111 2HG LYS 111 -9.118 -18.053 -6.834 803 2HG LYS 111 1HG LYS 111 -10.426 -19.061 -6.209 804 1HD LYS 111 2HD LYS 111 -10.912 -19.802 -8.519 805 2HD LYS 111 1HD LYS 111 -9.534 -18.857 -9.086 806 1HE LYS 111 2HE LYS 111 -8.067 -20.192 -7.600 807 2HE LYS 111 1HE LYS 111 -9.458 -21.185 -7.169 808 1HZ LYS 111 1HZ LYS 111 -8.130 -20.947 -9.812 809 2HZ LYS 111 2HZ LYS 111 -9.666 -21.641 -9.630 810 3HZ LYS 111 3HZ LYS 111 -8.328 -22.338 -8.858 811 H GLN 112 H GLN 112 -13.546 -16.282 -5.991 812 HA GLN 112 HA GLN 112 -14.343 -14.447 -7.944 813 1HB GLN 112 2HB GLN 112 -15.745 -16.231 -6.832 814 2HB GLN 112 1HB GLN 112 -15.913 -15.140 -5.463 815 1HG GLN 112 2HG GLN 112 -17.849 -14.999 -6.889 816 2HG GLN 112 1HG GLN 112 -16.957 -13.479 -6.926 817 1HE2 GLN 112 1HE2 GLN 112 -15.958 -16.367 -8.619 818 2HE2 GLN 112 2HE2 GLN 112 -16.228 -15.763 -10.217 819 H VAL 113 H VAL 113 -13.916 -13.978 -4.434 820 HA VAL 113 HA VAL 113 -14.781 -11.300 -4.350 821 HB VAL 113 HB VAL 113 -12.770 -12.687 -2.559 822 1HG1 VAL 113 1HG1 VAL 113 -13.285 -10.921 -0.932 823 2HG1 VAL 113 2HG1 VAL 113 -14.277 -10.108 -2.143 824 3HG1 VAL 113 3HG1 VAL 113 -12.539 -10.272 -2.395 825 1HG2 VAL 113 1HG2 VAL 113 -15.724 -12.212 -2.214 826 2HG2 VAL 113 2HG2 VAL 113 -14.653 -12.943 -1.020 827 3HG2 VAL 113 3HG2 VAL 113 -14.955 -13.762 -2.554 828 H MET 114 H MET 114 -11.571 -12.704 -4.877 829 HA MET 114 HA MET 114 -10.277 -10.165 -4.817 830 1HB MET 114 2HB MET 114 -9.278 -12.823 -5.837 831 2HB MET 114 1HB MET 114 -8.286 -11.382 -5.644 832 1HG MET 114 2HG MET 114 -8.979 -11.416 -3.204 833 2HG MET 114 1HG MET 114 -9.618 -13.027 -3.514 834 1HE MET 114 1HE MET 114 -6.443 -10.785 -3.196 835 2HE MET 114 2HE MET 114 -6.408 -11.216 -4.906 836 3HE MET 114 3HE MET 114 -5.175 -11.845 -3.810 837 H SER 115 H SER 115 -11.943 -11.953 -7.215 838 HA SER 115 HA SER 115 -10.890 -10.708 -9.520 839 1HB SER 115 2HB SER 115 -12.342 -12.723 -9.582 840 2HB SER 115 1HB SER 115 -13.703 -11.742 -9.043 841 HG SER 115 HG SER 115 -12.791 -12.113 -11.529 842 H LYS 116 H LYS 116 -13.274 -9.756 -7.133 843 HA LYS 116 HA LYS 116 -13.973 -7.326 -8.591 844 1HB LYS 116 2HB LYS 116 -14.813 -8.048 -5.786 845 2HB LYS 116 1HB LYS 116 -15.596 -6.934 -6.893 846 1HG LYS 116 2HG LYS 116 -15.480 -9.926 -7.183 847 2HG LYS 116 1HG LYS 116 -16.864 -8.984 -6.632 848 1HD LYS 116 2HD LYS 116 -16.851 -7.816 -8.839 849 2HD LYS 116 1HD LYS 116 -15.593 -8.938 -9.364 850 1HE LYS 116 2HE LYS 116 -17.114 -10.819 -8.903 851 2HE LYS 116 1HE LYS 116 -18.373 -9.671 -8.452 852 1HZ LYS 116 1HZ LYS 116 -17.150 -10.061 -11.124 853 2HZ LYS 116 2HZ LYS 116 -18.133 -8.731 -10.745 854 3HZ LYS 116 3HZ LYS 116 -18.769 -10.298 -10.682 855 H LEU 117 H LEU 117 -11.500 -8.345 -6.732 856 HA LEU 117 HA LEU 117 -11.232 -5.889 -5.159 857 1HB LEU 117 2HB LEU 117 -11.130 -8.280 -4.179 858 2HB LEU 117 1HB LEU 117 -9.540 -8.360 -4.905 859 HG LEU 117 HG LEU 117 -9.608 -7.792 -2.453 860 1HD1 LEU 117 1HD1 LEU 117 -7.627 -7.342 -3.787 861 2HD1 LEU 117 2HD1 LEU 117 -7.876 -6.086 -2.576 862 3HD1 LEU 117 3HD1 LEU 117 -8.289 -5.778 -4.264 863 1HD2 LEU 117 1HD2 LEU 117 -10.699 -5.190 -3.503 864 2HD2 LEU 117 2HD2 LEU 117 -10.118 -5.467 -1.861 865 3HD2 LEU 117 3HD2 LEU 117 -11.533 -6.337 -2.455 866 H VAL 118 H VAL 118 -9.020 -8.110 -6.908 867 HA VAL 118 HA VAL 118 -7.006 -6.085 -6.991 868 HB VAL 118 HB VAL 118 -5.636 -7.672 -8.188 869 1HG1 VAL 118 1HG1 VAL 118 -7.230 -8.902 -5.943 870 2HG1 VAL 118 2HG1 VAL 118 -5.747 -7.955 -5.804 871 3HG1 VAL 118 3HG1 VAL 118 -5.711 -9.551 -6.556 872 1HG2 VAL 118 1HG2 VAL 118 -6.479 -9.876 -8.844 873 2HG2 VAL 118 2HG2 VAL 118 -7.314 -8.585 -9.709 874 3HG2 VAL 118 3HG2 VAL 118 -8.104 -9.400 -8.359 875 H ALA 119 H ALA 119 -9.647 -6.816 -9.012 876 HA ALA 119 HA ALA 119 -8.572 -5.931 -11.493 877 1HB ALA 119 1HB ALA 119 -10.597 -7.318 -11.337 878 2HB ALA 119 2HB ALA 119 -10.871 -5.838 -12.260 879 3HB ALA 119 3HB ALA 119 -11.452 -5.963 -10.598 880 H ASN 120 H ASN 120 -9.155 -4.279 -8.677 881 HA ASN 120 HA ASN 120 -9.868 -1.757 -9.952 882 1HB ASN 120 2HB ASN 120 -9.290 -2.432 -7.059 883 2HB ASN 120 1HB ASN 120 -9.760 -0.838 -7.635 884 1HD2 ASN 120 1HD2 ASN 120 -10.781 -4.038 -6.912 885 2HD2 ASN 120 2HD2 ASN 120 -12.484 -3.790 -7.107 886 H GLY 121 H GLY 121 -7.169 -3.357 -10.103 887 1HA GLY 121 2HA GLY 121 -5.200 -2.306 -10.972 888 2HA GLY 121 1HA GLY 121 -5.531 -0.915 -9.951 889 H GLY 122 H GLY 122 -5.923 -3.983 -8.501 890 1HA GLY 122 2HA GLY 122 -3.572 -3.501 -6.845 891 2HA GLY 122 1HA GLY 122 -4.862 -4.647 -6.513 892 H LYS 123 H LYS 123 -1.767 -4.662 -6.903 893 HA LYS 123 HA LYS 123 -1.576 -6.816 -8.877 894 1HB LYS 123 2HB LYS 123 0.120 -5.049 -9.019 895 2HB LYS 123 1HB LYS 123 0.590 -5.352 -7.351 896 1HG LYS 123 2HG LYS 123 1.121 -7.724 -8.088 897 2HG LYS 123 1HG LYS 123 0.964 -7.132 -9.739 898 1HD LYS 123 2HD LYS 123 2.765 -5.579 -9.411 899 2HD LYS 123 1HD LYS 123 2.847 -5.974 -7.691 900 1HE LYS 123 2HE LYS 123 3.435 -8.291 -8.274 901 2HE LYS 123 1HE LYS 123 3.406 -7.855 -9.980 902 1HZ LYS 123 1HZ LYS 123 5.230 -6.352 -9.625 903 2HZ LYS 123 2HZ LYS 123 5.654 -7.887 -9.041 904 3HZ LYS 123 3HZ LYS 123 5.221 -6.660 -7.957 905 H LEU 124 H LEU 124 -0.898 -8.859 -8.369 906 HA LEU 124 HA LEU 124 -0.251 -9.429 -5.584 907 1HB LEU 124 2HB LEU 124 -1.476 -11.634 -5.792 908 2HB LEU 124 1HB LEU 124 -2.456 -10.208 -5.558 909 HG LEU 124 HG LEU 124 -3.506 -11.799 -7.081 910 1HD1 LEU 124 1HD1 LEU 124 -2.658 -9.315 -8.540 911 2HD1 LEU 124 2HD1 LEU 124 -3.989 -9.441 -7.391 912 3HD1 LEU 124 3HD1 LEU 124 -4.051 -10.328 -8.915 913 1HD2 LEU 124 1HD2 LEU 124 -2.613 -12.265 -9.290 914 2HD2 LEU 124 2HD2 LEU 124 -1.529 -12.843 -8.024 915 3HD2 LEU 124 3HD2 LEU 124 -1.150 -11.359 -8.899 916 HA PRO 125 HA PRO 125 3.086 -11.879 -7.263 917 1HB PRO 125 2HB PRO 125 2.448 -13.780 -5.072 918 2HB PRO 125 1HB PRO 125 3.976 -12.979 -5.456 919 1HG PRO 125 2HG PRO 125 2.510 -12.222 -3.354 920 2HG PRO 125 1HG PRO 125 3.400 -11.043 -4.336 921 1HD PRO 125 2HD PRO 125 0.477 -11.677 -4.321 922 2HD PRO 125 1HD PRO 125 1.293 -10.110 -4.502 923 HA PRO 126 HA PRO 126 0.948 -14.695 -9.837 924 1HB PRO 126 2HB PRO 126 3.366 -16.392 -9.882 925 2HB PRO 126 1HB PRO 126 2.547 -15.561 -11.208 926 1HG PRO 126 2HG PRO 126 4.889 -14.685 -10.274 927 2HG PRO 126 1HG PRO 126 3.624 -13.552 -10.788 928 1HD PRO 126 2HD PRO 126 4.409 -14.390 -8.022 929 2HD PRO 126 1HD PRO 126 3.990 -12.775 -8.634 930 H GLU 127 H GLU 127 1.860 -15.572 -6.771 931 HA GLU 127 HA GLU 127 1.084 -18.365 -6.971 932 1HB GLU 127 2HB GLU 127 1.880 -16.670 -4.599 933 2HB GLU 127 1HB GLU 127 1.469 -18.377 -4.503 934 1HG GLU 127 2HG GLU 127 3.759 -17.178 -6.040 935 2HG GLU 127 1HG GLU 127 3.862 -18.073 -4.524 936 H ILE 128 H ILE 128 -0.314 -15.318 -6.395 937 HA ILE 128 HA ILE 128 -2.636 -16.479 -5.047 938 HB ILE 128 HB ILE 128 -1.898 -13.588 -5.550 939 1HG1 ILE 128 2HG1 ILE 128 -2.058 -13.570 -2.981 940 2HG1 ILE 128 1HG1 ILE 128 -1.996 -15.325 -3.086 941 1HG2 ILE 128 1HG2 ILE 128 -3.913 -12.981 -4.321 942 2HG2 ILE 128 2HG2 ILE 128 -4.358 -14.683 -4.187 943 3HG2 ILE 128 3HG2 ILE 128 -4.318 -13.904 -5.770 944 1HD1 ILE 128 1HD1 ILE 128 0.109 -13.430 -4.105 945 2HD1 ILE 128 2HD1 ILE 128 0.179 -15.190 -4.161 946 3HD1 ILE 128 3HD1 ILE 128 0.186 -14.357 -2.607 947 H LYS 129 H LYS 129 -4.547 -16.719 -6.010 948 HA LYS 129 HA LYS 129 -6.173 -16.811 -7.565 949 1HB LYS 129 2HB LYS 129 -5.893 -14.291 -7.513 950 2HB LYS 129 1HB LYS 129 -4.862 -14.451 -8.926 951 1HG LYS 129 2HG LYS 129 -7.643 -15.551 -8.933 952 2HG LYS 129 1HG LYS 129 -7.336 -13.844 -9.248 953 1HD LYS 129 2HD LYS 129 -6.001 -14.354 -11.154 954 2HD LYS 129 1HD LYS 129 -5.985 -16.074 -10.755 955 1HE LYS 129 2HE LYS 129 -8.404 -16.163 -11.114 956 2HE LYS 129 1HE LYS 129 -8.395 -14.455 -11.540 957 1HZ LYS 129 1HZ LYS 129 -6.774 -16.452 -13.008 958 2HZ LYS 129 2HZ LYS 129 -7.188 -14.880 -13.489 959 3HZ LYS 129 3HZ LYS 129 -8.375 -16.093 -13.437 960 H HIS 130 H HIS 130 -5.655 -18.744 -8.407 961 HA HIS 130 HA HIS 130 -4.054 -18.743 -10.869 962 1HB HIS 130 2HB HIS 130 -4.827 -21.008 -9.018 963 2HB HIS 130 1HB HIS 130 -4.077 -21.258 -10.591 964 HD1 HIS 130 1HD HIS 130 -1.560 -20.713 -10.807 965 HD2 HIS 130 2HD HIS 130 -3.137 -20.024 -7.017 966 HE1 HIS 130 1HE HIS 130 0.421 -20.373 -9.294 967 HE2 HIS 130 2HE HIS 130 -0.567 -19.779 -7.055
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