NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598740 | 2n0u | 25536 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 23 H GLN 23 6.589 14.937 13.558 2 HA GLN 23 HA GLN 23 8.994 15.261 11.925 3 HB2 GLN 23 HB2 GLN 23 8.996 13.393 14.333 4 HB3 GLN 23 HB3 GLN 23 10.191 13.346 13.029 5 HG2 GLN 23 HG2 GLN 23 10.920 15.635 13.547 6 HG3 GLN 23 HG3 GLN 23 9.696 15.775 14.812 7 HE21 GLN 23 HE22 GLN 23 9.912 14.362 16.759 8 HE22 GLN 23 HE21 GLN 23 11.515 13.773 17.181 9 H ILE 24 H ILE 24 9.104 13.804 10.247 10 HA ILE 24 HA ILE 24 6.625 12.498 9.633 11 HB ILE 24 HB ILE 24 9.192 13.145 8.217 12 HG12 ILE 24 HG12 ILE 24 6.360 13.473 7.212 13 HG13 ILE 24 HG13 ILE 24 7.022 14.593 8.417 14 HG21 ILE 24 HG21 ILE 24 7.242 11.047 7.212 15 HG22 ILE 24 HG22 ILE 24 8.294 11.952 6.137 16 HG23 ILE 24 HG23 ILE 24 9.019 10.965 7.415 17 HD11 ILE 24 HD11 ILE 24 7.276 15.600 6.258 18 HD12 ILE 24 HD12 ILE 24 8.894 15.118 6.806 19 HD13 ILE 24 HD13 ILE 24 8.029 14.152 5.582 20 H ASN 25 H ASN 25 9.785 11.136 10.409 21 HA ASN 25 HA ASN 25 10.440 9.077 10.987 22 HB2 ASN 25 HB2 ASN 25 7.530 8.646 11.556 23 HB3 ASN 25 HB3 ASN 25 8.691 7.342 11.663 24 HD21 ASN 25 HD22 ASN 25 9.142 10.725 12.430 25 HD22 ASN 25 HD21 ASN 25 9.504 10.504 14.157 26 H GLN 26 H GLN 26 10.744 9.457 8.505 27 HA GLN 26 HA GLN 26 10.139 7.010 6.967 28 HB2 GLN 26 HB2 GLN 26 8.404 8.992 6.663 29 HB3 GLN 26 HB3 GLN 26 9.620 9.520 5.487 30 HG2 GLN 26 HG2 GLN 26 7.965 8.154 4.453 31 HG3 GLN 26 HG3 GLN 26 9.437 7.194 4.462 32 HE21 GLN 26 HE22 GLN 26 9.292 5.084 5.432 33 HE22 GLN 26 HE21 GLN 26 7.900 4.591 6.376 34 H VAL 27 H VAL 27 11.305 7.552 4.571 35 HA VAL 27 HA VAL 27 14.126 7.785 5.482 36 HB VAL 27 HB VAL 27 12.905 6.210 3.175 37 HG11 VAL 27 HG11 VAL 27 15.061 4.958 3.124 38 HG12 VAL 27 HG12 VAL 27 15.246 6.626 2.617 39 HG13 VAL 27 HG13 VAL 27 15.759 6.129 4.256 40 HG21 VAL 27 HG21 VAL 27 13.412 4.206 4.555 41 HG22 VAL 27 HG22 VAL 27 13.948 5.260 5.882 42 HG23 VAL 27 HG23 VAL 27 12.250 5.255 5.357 43 H ARG 28 H ARG 28 15.782 8.511 4.306 44 HA ARG 28 HA ARG 28 15.204 10.864 2.645 45 HB2 ARG 28 HB2 ARG 28 16.574 11.061 4.642 46 HB3 ARG 28 HB3 ARG 28 17.724 9.875 4.034 47 HG2 ARG 28 HG2 ARG 28 18.518 11.366 2.326 48 HG3 ARG 28 HG3 ARG 28 17.168 12.489 2.563 49 HD2 ARG 28 HD2 ARG 28 17.974 12.878 4.912 50 HD3 ARG 28 HD3 ARG 28 19.380 11.872 4.579 51 HE ARG 28 HE ARG 28 18.839 14.631 3.659 52 HH11 ARG 28 HH11 ARG 28 21.033 11.917 3.167 53 HH12 ARG 28 HH12 ARG 28 22.294 12.982 2.610 54 HH21 ARG 28 HH21 ARG 28 20.332 15.820 3.007 55 HH22 ARG 28 HH22 ARG 28 21.908 15.215 2.484 56 HA PRO 29 HA PRO 29 16.656 8.540 -1.043 57 HB2 PRO 29 HB2 PRO 29 16.208 10.441 -2.898 58 HB3 PRO 29 HB3 PRO 29 14.866 9.541 -2.141 59 HG2 PRO 29 HG2 PRO 29 15.885 12.305 -1.409 60 HG3 PRO 29 HG3 PRO 29 14.194 11.784 -1.677 61 HD2 PRO 29 HD2 PRO 29 15.333 11.942 0.808 62 HD3 PRO 29 HD3 PRO 29 14.082 10.723 0.409 63 H LYS 30 H LYS 30 18.437 9.023 -2.681 64 HA LYS 30 HA LYS 30 20.772 9.959 -1.250 65 HB2 LYS 30 HB2 LYS 30 20.437 8.109 -3.136 66 HB3 LYS 30 HB3 LYS 30 20.760 9.471 -4.224 67 HG2 LYS 30 HG2 LYS 30 22.933 9.828 -2.916 68 HG3 LYS 30 HG3 LYS 30 22.549 8.327 -2.045 69 HD2 LYS 30 HD2 LYS 30 22.527 7.101 -4.215 70 HD3 LYS 30 HD3 LYS 30 22.939 8.613 -5.061 71 HE2 LYS 30 HE2 LYS 30 25.044 8.774 -3.742 72 HE3 LYS 30 HE3 LYS 30 24.627 7.289 -2.880 73 HZ1 LYS 30 HZ1 LYS 30 24.749 6.093 -5.008 74 HZ2 LYS 30 HZ2 LYS 30 25.135 7.467 -5.811 75 HZ3 LYS 30 HZ3 LYS 30 26.162 6.846 -4.709 76 H LEU 31 H LEU 31 22.295 11.566 -2.053 77 HA LEU 31 HA LEU 31 21.364 14.132 -2.011 78 HB2 LEU 31 HB2 LEU 31 23.932 12.972 -3.137 79 HB3 LEU 31 HB3 LEU 31 23.637 14.694 -3.196 80 HG LEU 31 HG LEU 31 25.051 14.142 -1.342 81 HD11 LEU 31 HD11 LEU 31 22.342 15.015 -0.257 82 HD12 LEU 31 HD12 LEU 31 23.947 15.354 0.420 83 HD13 LEU 31 HD13 LEU 31 23.483 16.064 -1.132 84 HD21 LEU 31 HD21 LEU 31 24.367 12.901 0.602 85 HD22 LEU 31 HD22 LEU 31 22.762 12.583 -0.081 86 HD23 LEU 31 HD23 LEU 31 24.224 11.862 -0.818 87 HA PRO 32 HA PRO 32 21.261 14.905 -6.748 88 HB2 PRO 32 HB2 PRO 32 20.838 12.731 -8.416 89 HB3 PRO 32 HB3 PRO 32 22.446 13.462 -8.098 90 HG2 PRO 32 HG2 PRO 32 21.167 11.051 -6.779 91 HG3 PRO 32 HG3 PRO 32 22.845 11.223 -7.390 92 HD2 PRO 32 HD2 PRO 32 22.327 11.496 -4.781 93 HD3 PRO 32 HD3 PRO 32 23.454 12.629 -5.573 94 H LEU 33 H LEU 33 19.378 12.306 -5.447 95 HA LEU 33 HA LEU 33 17.001 13.074 -6.977 96 HB2 LEU 33 HB2 LEU 33 17.896 10.760 -6.221 97 HB3 LEU 33 HB3 LEU 33 17.355 11.190 -4.614 98 HG LEU 33 HG LEU 33 15.785 9.759 -5.615 99 HD11 LEU 33 HD11 LEU 33 13.721 10.919 -5.491 100 HD12 LEU 33 HD12 LEU 33 14.809 11.717 -4.351 101 HD13 LEU 33 HD13 LEU 33 14.457 12.461 -5.931 102 HD21 LEU 33 HD21 LEU 33 14.593 10.125 -7.677 103 HD22 LEU 33 HD22 LEU 33 15.461 11.636 -7.977 104 HD23 LEU 33 HD23 LEU 33 16.328 10.072 -7.995 105 H LEU 34 H LEU 34 18.105 13.329 -3.592 106 HA LEU 34 HA LEU 34 15.953 14.888 -2.572 107 HB2 LEU 34 HB2 LEU 34 17.796 13.717 -1.327 108 HB3 LEU 34 HB3 LEU 34 18.943 14.911 -1.882 109 HG LEU 34 HG LEU 34 18.130 15.069 0.493 110 HD11 LEU 34 HD11 LEU 34 19.222 16.980 -0.663 111 HD12 LEU 34 HD12 LEU 34 17.610 17.613 -1.074 112 HD13 LEU 34 HD13 LEU 34 18.091 17.449 0.615 113 HD21 LEU 34 HD21 LEU 34 15.728 14.608 0.073 114 HD22 LEU 34 HD22 LEU 34 16.002 16.093 0.999 115 HD23 LEU 34 HD23 LEU 34 15.575 16.203 -0.712 116 H LYS 35 H LYS 35 18.895 15.928 -4.420 117 HA LYS 35 HA LYS 35 18.468 18.673 -4.388 118 HB2 LYS 35 HB2 LYS 35 20.250 16.967 -5.670 119 HB3 LYS 35 HB3 LYS 35 19.290 17.509 -7.030 120 HG2 LYS 35 HG2 LYS 35 21.078 19.058 -6.869 121 HG3 LYS 35 HG3 LYS 35 19.673 19.895 -6.208 122 HD2 LYS 35 HD2 LYS 35 21.439 20.370 -4.698 123 HD3 LYS 35 HD3 LYS 35 20.493 19.112 -3.872 124 HE2 LYS 35 HE2 LYS 35 22.086 17.395 -4.482 125 HE3 LYS 35 HE3 LYS 35 22.961 18.508 -5.548 126 HZ1 LYS 35 HZ1 LYS 35 22.772 18.805 -2.587 127 HZ2 LYS 35 HZ2 LYS 35 24.091 18.287 -3.405 128 HZ3 LYS 35 HZ3 LYS 35 23.574 19.819 -3.586 129 H ILE 36 H ILE 36 16.868 16.375 -6.621 130 HA ILE 36 HA ILE 36 15.476 18.279 -8.252 131 HB ILE 36 HB ILE 36 14.503 15.541 -7.413 132 HG12 ILE 36 HG12 ILE 36 16.639 15.256 -8.319 133 HG13 ILE 36 HG13 ILE 36 15.478 14.837 -9.578 134 HG21 ILE 36 HG21 ILE 36 13.268 15.693 -9.557 135 HG22 ILE 36 HG22 ILE 36 12.720 16.867 -8.364 136 HG23 ILE 36 HG23 ILE 36 13.752 17.393 -9.712 137 HD11 ILE 36 HD11 ILE 36 17.273 15.995 -10.592 138 HD12 ILE 36 HD12 ILE 36 15.930 17.158 -10.563 139 HD13 ILE 36 HD13 ILE 36 17.260 17.284 -9.380 140 H LEU 37 H LEU 37 14.488 16.517 -5.253 141 HA LEU 37 HA LEU 37 11.884 17.600 -4.910 142 HB2 LEU 37 HB2 LEU 37 13.924 16.222 -3.108 143 HB3 LEU 37 HB3 LEU 37 12.350 16.667 -2.519 144 HG LEU 37 HG LEU 37 11.258 15.087 -3.636 145 HD11 LEU 37 HD11 LEU 37 13.384 14.578 -5.698 146 HD12 LEU 37 HD12 LEU 37 11.823 13.761 -5.551 147 HD13 LEU 37 HD13 LEU 37 11.867 15.473 -5.969 148 HD21 LEU 37 HD21 LEU 37 12.798 14.071 -2.034 149 HD22 LEU 37 HD22 LEU 37 12.470 12.959 -3.380 150 HD23 LEU 37 HD23 LEU 37 13.999 13.848 -3.331 151 H HIS 38 H HIS 38 15.029 18.592 -3.506 152 HA HIS 38 HA HIS 38 13.894 20.813 -1.994 153 HB2 HIS 38 HB2 HIS 38 16.631 19.782 -2.709 154 HB3 HIS 38 HB3 HIS 38 16.480 21.442 -2.110 155 HD2 HIS 38 HD2 HIS 38 14.090 18.794 -0.741 156 HE1 HIS 38 HE1 HIS 38 16.719 19.828 2.449 157 HE2 HIS 38 HE2 HIS 38 14.592 18.551 1.832 158 H ALA 39 H ALA 39 15.426 20.593 -5.227 159 HA ALA 39 HA ALA 39 15.218 23.358 -5.900 160 HB1 ALA 39 HB1 ALA 39 15.236 20.788 -7.559 161 HB2 ALA 39 HB2 ALA 39 15.391 22.439 -8.226 162 HB3 ALA 39 HB3 ALA 39 16.622 21.793 -7.130 163 H ALA 40 H ALA 40 12.803 20.776 -5.740 164 HA ALA 40 HA ALA 40 10.720 22.406 -6.934 165 HB1 ALA 40 HB1 ALA 40 10.950 19.777 -6.775 166 HB2 ALA 40 HB2 ALA 40 10.205 19.990 -5.191 167 HB3 ALA 40 HB3 ALA 40 9.355 20.542 -6.644 168 H GLY 41 H GLY 41 12.001 22.033 -3.640 169 HA2 GLY 41 HA2 GLY 41 11.473 23.449 -1.831 170 HA3 GLY 41 HA3 GLY 41 9.916 23.855 -2.544 171 H ALA 42 H ALA 42 11.456 20.667 -1.754 172 HA ALA 42 HA ALA 42 9.108 19.512 -0.665 173 HB1 ALA 42 HB1 ALA 42 11.034 18.257 -1.562 174 HB2 ALA 42 HB2 ALA 42 11.977 18.713 -0.107 175 HB3 ALA 42 HB3 ALA 42 10.533 17.702 0.032 176 H GLN 43 H GLN 43 8.691 18.712 1.470 177 HA GLN 43 HA GLN 43 9.009 20.874 3.435 178 HB2 GLN 43 HB2 GLN 43 6.798 19.848 2.549 179 HB3 GLN 43 HB3 GLN 43 7.125 18.517 3.664 180 HG2 GLN 43 HG2 GLN 43 7.167 20.191 5.553 181 HG3 GLN 43 HG3 GLN 43 6.870 21.481 4.391 182 HE21 GLN 43 HE22 GLN 43 5.081 21.559 6.297 183 HE22 GLN 43 HE21 GLN 43 3.568 20.791 5.831 184 H GLY 44 H GLY 44 11.263 19.099 3.052 185 HA2 GLY 44 HA2 GLY 44 12.428 18.737 5.470 186 HA3 GLY 44 HA3 GLY 44 11.402 17.305 5.382 187 H GLU 45 H GLU 45 13.361 16.115 5.511 188 HA GLU 45 HA GLU 45 14.532 15.549 2.813 189 HB2 GLU 45 HB2 GLU 45 16.001 15.500 5.479 190 HB3 GLU 45 HB3 GLU 45 16.642 14.916 3.940 191 HG2 GLU 45 HG2 GLU 45 16.335 17.219 2.986 192 HG3 GLU 45 HG3 GLU 45 15.902 17.786 4.601 193 H MET 46 H MET 46 12.371 14.346 4.822 194 HA MET 46 HA MET 46 13.131 11.430 4.546 195 HB2 MET 46 HB2 MET 46 12.139 12.968 6.979 196 HB3 MET 46 HB3 MET 46 11.964 11.224 6.810 197 HG2 MET 46 HG2 MET 46 14.380 10.953 6.575 198 HG3 MET 46 HG3 MET 46 14.623 12.697 6.681 199 HE1 MET 46 HE1 MET 46 14.580 14.109 8.831 200 HE2 MET 46 HE2 MET 46 12.849 13.755 9.052 201 HE3 MET 46 HE3 MET 46 13.979 13.544 10.404 202 H PHE 47 H PHE 47 11.579 10.716 3.102 203 HA PHE 47 HA PHE 47 8.698 11.127 3.740 204 HB2 PHE 47 HB2 PHE 47 9.011 11.560 0.909 205 HB3 PHE 47 HB3 PHE 47 8.245 12.553 2.125 206 HD1 PHE 47 HD2 PHE 47 11.728 11.680 0.974 207 HD2 PHE 47 HD1 PHE 47 9.032 14.756 2.341 208 HE1 PHE 47 HE2 PHE 47 13.482 13.364 0.648 209 HE2 PHE 47 HE1 PHE 47 10.764 16.475 1.890 210 HZ PHE 47 HZ PHE 47 12.985 15.798 0.997 211 H THR 48 H THR 48 7.278 9.834 2.299 212 HA THR 48 HA THR 48 8.367 7.172 1.547 213 HB THR 48 HB THR 48 5.947 6.735 0.907 214 HG1 THR 48 HG1 THR 48 5.530 9.219 2.224 215 HG21 THR 48 HG21 THR 48 5.190 6.296 3.026 216 HG22 THR 48 HG22 THR 48 6.953 6.271 3.251 217 HG23 THR 48 HG23 THR 48 6.001 7.688 3.759 218 H VAL 49 H VAL 49 7.619 6.224 -0.579 219 HA VAL 49 HA VAL 49 8.651 7.430 -2.894 220 HB VAL 49 HB VAL 49 6.655 5.196 -2.531 221 HG11 VAL 49 HG11 VAL 49 7.273 4.521 -4.853 222 HG12 VAL 49 HG12 VAL 49 6.354 6.026 -4.818 223 HG13 VAL 49 HG13 VAL 49 8.113 6.070 -5.065 224 HG21 VAL 49 HG21 VAL 49 8.609 3.778 -3.013 225 HG22 VAL 49 HG22 VAL 49 9.635 5.213 -3.216 226 HG23 VAL 49 HG23 VAL 49 8.959 4.813 -1.625 227 H LYS 50 H LYS 50 5.276 7.263 -1.690 228 HA LYS 50 HA LYS 50 4.110 8.630 -3.892 229 HB2 LYS 50 HB2 LYS 50 2.131 8.323 -2.669 230 HB3 LYS 50 HB3 LYS 50 3.144 6.921 -2.337 231 HG2 LYS 50 HG2 LYS 50 3.804 7.915 -0.193 232 HG3 LYS 50 HG3 LYS 50 2.711 9.289 -0.464 233 HD2 LYS 50 HD2 LYS 50 0.799 7.682 -0.508 234 HD3 LYS 50 HD3 LYS 50 1.945 6.349 -0.199 235 HE2 LYS 50 HE2 LYS 50 2.662 7.465 1.911 236 HE3 LYS 50 HE3 LYS 50 1.507 8.768 1.616 237 HZ1 LYS 50 HZ1 LYS 50 -0.296 7.123 1.759 238 HZ2 LYS 50 HZ2 LYS 50 0.768 5.913 2.034 239 HZ3 LYS 50 HZ3 LYS 50 0.584 7.105 3.131 240 H GLU 51 H GLU 51 5.485 9.815 -0.863 241 HA GLU 51 HA GLU 51 4.634 12.592 -1.277 242 HB2 GLU 51 HB2 GLU 51 6.659 11.279 0.558 243 HB3 GLU 51 HB3 GLU 51 6.335 13.016 0.537 244 HG2 GLU 51 HG2 GLU 51 4.041 12.686 1.194 245 HG3 GLU 51 HG3 GLU 51 4.166 10.937 1.040 246 H VAL 52 H VAL 52 7.804 10.813 -1.697 247 HA VAL 52 HA VAL 52 9.198 13.056 -2.657 248 HB VAL 52 HB VAL 52 10.675 11.546 -3.838 249 HG11 VAL 52 HG11 VAL 52 11.728 10.634 -1.830 250 HG12 VAL 52 HG12 VAL 52 10.999 12.207 -1.447 251 HG13 VAL 52 HG13 VAL 52 10.184 10.696 -0.961 252 HG21 VAL 52 HG21 VAL 52 10.789 9.265 -3.689 253 HG22 VAL 52 HG22 VAL 52 9.399 9.209 -2.595 254 HG23 VAL 52 HG23 VAL 52 9.198 9.608 -4.332 255 H MET 53 H MET 53 7.489 10.631 -4.564 256 HA MET 53 HA MET 53 7.994 11.891 -7.057 257 HB2 MET 53 HB2 MET 53 6.643 10.334 -8.070 258 HB3 MET 53 HB3 MET 53 7.305 9.518 -6.674 259 HG2 MET 53 HG2 MET 53 5.084 8.832 -6.693 260 HG3 MET 53 HG3 MET 53 5.118 10.082 -5.460 261 HE1 MET 53 HE1 MET 53 3.241 10.599 -9.684 262 HE2 MET 53 HE2 MET 53 4.981 10.408 -9.464 263 HE3 MET 53 HE3 MET 53 3.895 9.055 -9.090 264 H HIS 54 H HIS 54 5.607 12.829 -4.646 265 HA HIS 54 HA HIS 54 3.915 14.371 -6.438 266 HB2 HIS 54 HB2 HIS 54 3.212 13.662 -4.171 267 HB3 HIS 54 HB3 HIS 54 4.437 14.710 -3.458 268 HD2 HIS 54 HD2 HIS 54 3.894 17.255 -3.175 269 HE1 HIS 54 HE1 HIS 54 0.111 17.345 -5.147 270 HE2 HIS 54 HE2 HIS 54 1.756 18.689 -3.741 271 H TYR 55 H TYR 55 6.887 15.096 -4.585 272 HA TYR 55 HA TYR 55 7.032 17.849 -5.358 273 HB2 TYR 55 HB2 TYR 55 9.334 15.993 -4.706 274 HB3 TYR 55 HB3 TYR 55 9.386 17.748 -4.735 275 HD1 TYR 55 HD2 TYR 55 7.317 18.847 -3.242 276 HD2 TYR 55 HD1 TYR 55 9.326 15.113 -2.552 277 HE1 TYR 55 HE2 TYR 55 6.544 18.873 -0.873 278 HE2 TYR 55 HE1 TYR 55 8.579 15.132 -0.190 279 HH TYR 55 HH TYR 55 7.363 16.265 1.439 280 H LEU 56 H LEU 56 7.774 14.924 -7.233 281 HA LEU 56 HA LEU 56 9.308 16.337 -9.281 282 HB2 LEU 56 HB2 LEU 56 7.640 13.823 -9.622 283 HB3 LEU 56 HB3 LEU 56 8.908 14.413 -10.685 284 HG LEU 56 HG LEU 56 9.327 13.414 -7.844 285 HD11 LEU 56 HD11 LEU 56 8.650 11.659 -9.493 286 HD12 LEU 56 HD12 LEU 56 10.041 12.133 -10.492 287 HD13 LEU 56 HD13 LEU 56 10.294 11.449 -8.863 288 HD21 LEU 56 HD21 LEU 56 11.042 15.032 -8.417 289 HD22 LEU 56 HD22 LEU 56 11.735 13.406 -8.474 290 HD23 LEU 56 HD23 LEU 56 11.308 14.241 -9.989 291 H GLY 57 H GLY 57 5.836 15.494 -8.858 292 HA2 GLY 57 HA2 GLY 57 4.863 16.601 -11.282 293 HA3 GLY 57 HA3 GLY 57 3.957 16.451 -9.767 294 H GLN 58 H GLN 58 5.149 18.196 -8.034 295 HA GLN 58 HA GLN 58 4.410 20.765 -9.069 296 HB2 GLN 58 HB2 GLN 58 4.630 21.594 -6.995 297 HB3 GLN 58 HB3 GLN 58 4.490 19.886 -6.600 298 HG2 GLN 58 HG2 GLN 58 7.045 19.839 -6.474 299 HG3 GLN 58 HG3 GLN 58 7.047 21.575 -6.709 300 HE21 GLN 58 HE22 GLN 58 7.925 22.079 -4.604 301 HE22 GLN 58 HE21 GLN 58 7.129 21.636 -3.116 302 H TYR 59 H TYR 59 7.656 19.229 -8.736 303 HA TYR 59 HA TYR 59 9.238 21.444 -9.419 304 HB2 TYR 59 HB2 TYR 59 10.120 19.247 -8.690 305 HB3 TYR 59 HB3 TYR 59 9.589 18.502 -10.166 306 HD1 TYR 59 HD1 TYR 59 10.694 19.066 -12.356 307 HD2 TYR 59 HD2 TYR 59 12.144 20.535 -8.574 308 HE1 TYR 59 HE1 TYR 59 12.963 19.347 -13.343 309 HE2 TYR 59 HE2 TYR 59 14.403 20.837 -9.577 310 HH TYR 59 HH TYR 59 15.213 19.790 -12.843 311 H ILE 60 H ILE 60 7.797 18.953 -11.627 312 HA ILE 60 HA ILE 60 8.664 20.196 -14.062 313 HB ILE 60 HB ILE 60 6.298 18.381 -13.509 314 HG12 ILE 60 HG12 ILE 60 8.871 17.430 -14.802 315 HG13 ILE 60 HG13 ILE 60 8.823 17.600 -13.054 316 HG21 ILE 60 HG21 ILE 60 6.477 17.784 -15.963 317 HG22 ILE 60 HG22 ILE 60 5.935 19.427 -15.651 318 HG23 ILE 60 HG23 ILE 60 7.599 19.148 -16.174 319 HD11 ILE 60 HD11 ILE 60 6.715 16.218 -13.000 320 HD12 ILE 60 HD12 ILE 60 6.972 15.868 -14.716 321 HD13 ILE 60 HD13 ILE 60 8.185 15.370 -13.508 322 H MET 61 H MET 61 5.598 20.552 -12.189 323 HA MET 61 HA MET 61 4.319 22.274 -14.051 324 HB2 MET 61 HB2 MET 61 3.355 21.025 -12.060 325 HB3 MET 61 HB3 MET 61 4.043 22.266 -11.017 326 HG2 MET 61 HG2 MET 61 1.721 22.728 -11.376 327 HG3 MET 61 HG3 MET 61 2.648 23.981 -12.186 328 HE1 MET 61 HE1 MET 61 1.581 24.938 -14.164 329 HE2 MET 61 HE2 MET 61 2.929 24.070 -14.928 330 HE3 MET 61 HE3 MET 61 1.313 24.014 -15.658 331 H VAL 62 H VAL 62 6.630 23.064 -11.457 332 HA VAL 62 HA VAL 62 6.505 25.936 -11.845 333 HB VAL 62 HB VAL 62 8.372 24.194 -10.439 334 HG11 VAL 62 HG11 VAL 62 9.204 26.198 -9.208 335 HG12 VAL 62 HG12 VAL 62 9.672 26.209 -10.907 336 HG13 VAL 62 HG13 VAL 62 8.319 27.228 -10.356 337 HG21 VAL 62 HG21 VAL 62 7.260 24.963 -8.434 338 HG22 VAL 62 HG22 VAL 62 6.262 26.089 -9.408 339 HG23 VAL 62 HG23 VAL 62 6.074 24.338 -9.590 340 H LYS 63 H LYS 63 8.827 23.462 -12.671 341 HA LYS 63 HA LYS 63 10.553 25.167 -14.283 342 HB2 LYS 63 HB2 LYS 63 10.319 22.146 -14.109 343 HB3 LYS 63 HB3 LYS 63 11.608 23.003 -14.954 344 HG2 LYS 63 HG2 LYS 63 11.073 23.146 -11.965 345 HG3 LYS 63 HG3 LYS 63 12.300 22.177 -12.777 346 HD2 LYS 63 HD2 LYS 63 13.247 24.417 -13.672 347 HD3 LYS 63 HD3 LYS 63 12.145 25.190 -12.519 348 HE2 LYS 63 HE2 LYS 63 14.029 25.013 -11.200 349 HE3 LYS 63 HE3 LYS 63 13.175 23.524 -10.766 350 HZ1 LYS 63 HZ1 LYS 63 15.382 23.724 -12.785 351 HZ2 LYS 63 HZ2 LYS 63 15.570 23.157 -11.272 352 HZ3 LYS 63 HZ3 LYS 63 14.664 22.322 -12.340 353 H GLN 64 H GLN 64 7.548 23.807 -15.034 354 HA GLN 64 HA GLN 64 6.420 23.070 -16.762 355 HB2 GLN 64 HB2 GLN 64 6.058 24.674 -18.593 356 HB3 GLN 64 HB3 GLN 64 5.793 25.276 -16.965 357 HG2 GLN 64 HG2 GLN 64 8.527 25.673 -17.982 358 HG3 GLN 64 HG3 GLN 64 7.305 26.532 -18.919 359 HE21 GLN 64 HE22 GLN 64 9.438 26.985 -16.414 360 HE22 GLN 64 HE21 GLN 64 8.515 28.109 -15.442 361 H LEU 65 H LEU 65 7.930 21.231 -16.834 362 HA LEU 65 HA LEU 65 9.702 21.241 -19.182 363 HB2 LEU 65 HB2 LEU 65 9.521 19.084 -17.063 364 HB3 LEU 65 HB3 LEU 65 10.642 19.151 -18.394 365 HG LEU 65 HG LEU 65 10.580 21.072 -16.051 366 HD11 LEU 65 HD11 LEU 65 12.723 20.084 -15.491 367 HD12 LEU 65 HD12 LEU 65 11.444 18.857 -15.500 368 HD13 LEU 65 HD13 LEU 65 12.602 18.967 -16.858 369 HD21 LEU 65 HD21 LEU 65 11.360 22.280 -18.058 370 HD22 LEU 65 HD22 LEU 65 12.727 21.933 -16.998 371 HD23 LEU 65 HD23 LEU 65 12.466 20.944 -18.451 372 H TYR 66 H TYR 66 6.534 20.842 -19.031 373 HA TYR 66 HA TYR 66 6.369 18.293 -20.444 374 HB2 TYR 66 HB2 TYR 66 3.886 18.765 -20.389 375 HB3 TYR 66 HB3 TYR 66 4.694 18.518 -18.853 376 HD1 TYR 66 HD1 TYR 66 3.505 21.213 -21.169 377 HD2 TYR 66 HD2 TYR 66 4.642 20.128 -17.186 378 HE1 TYR 66 HE1 TYR 66 2.815 23.474 -20.398 379 HE2 TYR 66 HE2 TYR 66 3.967 22.420 -16.368 380 HH TYR 66 HH TYR 66 2.650 24.908 -18.595 381 H ASP 67 H ASP 67 4.848 18.176 -22.403 382 HA ASP 67 HA ASP 67 5.817 19.983 -24.485 383 HB2 ASP 67 HB2 ASP 67 5.261 17.484 -24.713 384 HB3 ASP 67 HB3 ASP 67 3.574 17.987 -24.777 385 H GLN 68 H GLN 68 4.689 21.429 -25.642 386 HA GLN 68 HA GLN 68 2.625 23.097 -24.541 387 HB2 GLN 68 HB2 GLN 68 3.245 22.886 -27.499 388 HB3 GLN 68 HB3 GLN 68 2.842 24.301 -26.567 389 HG2 GLN 68 HG2 GLN 68 5.003 24.829 -26.314 390 HG3 GLN 68 HG3 GLN 68 5.429 23.262 -25.663 391 HE21 GLN 68 HE22 GLN 68 5.389 21.368 -27.621 392 HE22 GLN 68 HE21 GLN 68 6.375 21.947 -28.952 393 H GLN 69 H GLN 69 2.734 20.433 -26.881 394 HA GLN 69 HA GLN 69 -0.124 20.569 -27.551 395 HB2 GLN 69 HB2 GLN 69 2.184 18.777 -28.342 396 HB3 GLN 69 HB3 GLN 69 0.531 18.290 -28.673 397 HG2 GLN 69 HG2 GLN 69 1.429 19.370 -30.626 398 HG3 GLN 69 HG3 GLN 69 0.098 20.317 -29.968 399 HE21 GLN 69 HE22 GLN 69 3.730 20.132 -29.797 400 HE22 GLN 69 HE21 GLN 69 3.927 21.876 -29.780 401 H GLU 70 H GLU 70 1.796 18.759 -25.222 402 HA GLU 70 HA GLU 70 -0.615 17.331 -24.215 403 HB2 GLU 70 HB2 GLU 70 1.976 16.021 -25.142 404 HB3 GLU 70 HB3 GLU 70 0.856 15.266 -24.008 405 HG2 GLU 70 HG2 GLU 70 -0.977 15.572 -25.746 406 HG3 GLU 70 HG3 GLU 70 0.285 16.044 -26.889 407 H GLN 71 H GLN 71 -0.602 18.692 -22.414 408 HA GLN 71 HA GLN 71 1.622 19.386 -20.838 409 HB2 GLN 71 HB2 GLN 71 -1.370 19.189 -20.434 410 HB3 GLN 71 HB3 GLN 71 -0.322 19.613 -19.075 411 HG2 GLN 71 HG2 GLN 71 -1.061 21.653 -19.969 412 HG3 GLN 71 HG3 GLN 71 0.628 21.511 -20.433 413 HE21 GLN 71 HE22 GLN 71 1.062 20.940 -22.837 414 HE22 GLN 71 HE21 GLN 71 -0.158 21.522 -23.952 415 H HIS 72 H HIS 72 -0.294 16.408 -20.704 416 HA HIS 72 HA HIS 72 0.879 15.432 -18.244 417 HB2 HIS 72 HB2 HIS 72 -0.430 13.364 -19.002 418 HB3 HIS 72 HB3 HIS 72 -1.375 14.832 -18.817 419 HD2 HIS 72 HD2 HIS 72 0.157 12.552 -21.507 420 HE1 HIS 72 HE1 HIS 72 -2.354 15.346 -23.557 421 HE2 HIS 72 HE2 HIS 72 -0.864 13.283 -23.859 422 H MET 73 H MET 73 2.218 15.718 -21.358 423 HA MET 73 HA MET 73 3.963 13.321 -21.043 424 HB2 MET 73 HB2 MET 73 2.774 13.556 -23.214 425 HB3 MET 73 HB3 MET 73 3.542 15.134 -23.448 426 HG2 MET 73 HG2 MET 73 4.743 13.453 -24.702 427 HG3 MET 73 HG3 MET 73 5.763 14.075 -23.408 428 HE1 MET 73 HE1 MET 73 6.604 11.480 -24.970 429 HE2 MET 73 HE2 MET 73 7.454 12.285 -23.633 430 HE3 MET 73 HE3 MET 73 7.170 10.527 -23.577 431 H VAL 74 H VAL 74 5.997 13.620 -20.322 432 HA VAL 74 HA VAL 74 6.836 16.431 -19.746 433 HB VAL 74 HB VAL 74 7.738 13.891 -18.358 434 HG11 VAL 74 HG11 VAL 74 9.279 15.793 -18.131 435 HG12 VAL 74 HG12 VAL 74 7.940 16.866 -17.672 436 HG13 VAL 74 HG13 VAL 74 8.437 15.527 -16.612 437 HG21 VAL 74 HG21 VAL 74 5.554 15.886 -17.571 438 HG22 VAL 74 HG22 VAL 74 5.319 14.164 -17.955 439 HG23 VAL 74 HG23 VAL 74 6.220 14.617 -16.516 440 H TYR 75 H TYR 75 8.803 17.155 -20.410 441 HA TYR 75 HA TYR 75 10.739 15.406 -21.839 442 HB2 TYR 75 HB2 TYR 75 9.538 18.049 -22.665 443 HB3 TYR 75 HB3 TYR 75 11.099 17.495 -23.269 444 HD1 TYR 75 HD1 TYR 75 11.299 15.172 -24.263 445 HD2 TYR 75 HD2 TYR 75 7.514 17.158 -23.684 446 HE1 TYR 75 HE1 TYR 75 10.242 13.590 -25.833 447 HE2 TYR 75 HE2 TYR 75 6.457 15.588 -25.318 448 HH TYR 75 HH TYR 75 8.303 12.991 -26.957 449 H CYS 76 H CYS 76 12.023 15.252 -19.997 450 HA CYS 76 HA CYS 76 13.104 17.625 -18.620 451 HB2 CYS 76 HB2 CYS 76 13.412 14.640 -18.106 452 HB3 CYS 76 HB3 CYS 76 14.130 15.920 -17.116 453 HG CYS 76 HG CYS 76 11.922 17.109 -16.432 454 H GLY 77 H GLY 77 13.956 16.558 -21.513 455 HA2 GLY 77 HA2 GLY 77 16.673 15.810 -21.394 456 HA3 GLY 77 HA3 GLY 77 15.930 16.687 -22.734 457 H GLY 78 H GLY 78 18.447 16.817 -20.694 458 HA2 GLY 78 HA2 GLY 78 20.028 18.491 -20.363 459 HA3 GLY 78 HA3 GLY 78 18.896 19.710 -20.939 460 H ASP 79 H ASP 79 17.197 18.024 -18.580 461 HA ASP 79 HA ASP 79 17.884 19.987 -16.455 462 HB2 ASP 79 HB2 ASP 79 15.472 19.508 -17.215 463 HB3 ASP 79 HB3 ASP 79 15.639 17.948 -16.426 464 H LEU 80 H LEU 80 18.210 19.259 -14.222 465 HA LEU 80 HA LEU 80 19.935 17.007 -13.845 466 HB2 LEU 80 HB2 LEU 80 19.252 19.164 -12.329 467 HB3 LEU 80 HB3 LEU 80 18.222 17.944 -11.582 468 HG LEU 80 HG LEU 80 21.259 17.818 -11.916 469 HD11 LEU 80 HD11 LEU 80 21.322 18.167 -9.482 470 HD12 LEU 80 HD12 LEU 80 20.502 19.507 -10.294 471 HD13 LEU 80 HD13 LEU 80 19.548 18.276 -9.439 472 HD21 LEU 80 HD21 LEU 80 20.384 15.515 -11.810 473 HD22 LEU 80 HD22 LEU 80 21.255 15.934 -10.342 474 HD23 LEU 80 HD23 LEU 80 19.486 15.912 -10.326 475 H LEU 81 H LEU 81 16.353 17.407 -13.174 476 HA LEU 81 HA LEU 81 15.937 14.813 -12.308 477 HB2 LEU 81 HB2 LEU 81 14.235 16.531 -12.184 478 HB3 LEU 81 HB3 LEU 81 14.149 16.662 -13.934 479 HG LEU 81 HG LEU 81 13.068 14.518 -14.152 480 HD11 LEU 81 HD11 LEU 81 14.079 13.160 -12.390 481 HD12 LEU 81 HD12 LEU 81 13.399 14.204 -11.141 482 HD13 LEU 81 HD13 LEU 81 12.337 13.204 -12.157 483 HD21 LEU 81 HD21 LEU 81 10.972 15.001 -12.973 484 HD22 LEU 81 HD22 LEU 81 11.819 16.122 -11.881 485 HD23 LEU 81 HD23 LEU 81 11.682 16.489 -13.613 486 H GLY 82 H GLY 82 16.259 15.890 -15.706 487 HA2 GLY 82 HA2 GLY 82 15.521 13.373 -16.962 488 HA3 GLY 82 HA3 GLY 82 16.393 14.719 -17.700 489 H GLU 83 H GLU 83 18.686 14.908 -16.161 490 HA GLU 83 HA GLU 83 20.325 12.798 -17.153 491 HB2 GLU 83 HB2 GLU 83 21.916 14.225 -16.688 492 HB3 GLU 83 HB3 GLU 83 20.718 15.314 -16.012 493 HG2 GLU 83 HG2 GLU 83 21.126 14.419 -13.761 494 HG3 GLU 83 HG3 GLU 83 22.282 13.255 -14.413 495 H LEU 84 H LEU 84 18.792 13.257 -14.027 496 HA LEU 84 HA LEU 84 19.898 10.922 -12.772 497 HB2 LEU 84 HB2 LEU 84 19.128 12.959 -11.633 498 HB3 LEU 84 HB3 LEU 84 17.465 12.639 -12.131 499 HG LEU 84 HG LEU 84 17.345 10.663 -10.712 500 HD11 LEU 84 HD11 LEU 84 20.288 11.217 -10.103 501 HD12 LEU 84 HD12 LEU 84 19.254 10.118 -9.156 502 HD13 LEU 84 HD13 LEU 84 19.612 9.751 -10.840 503 HD21 LEU 84 HD21 LEU 84 18.593 13.124 -9.409 504 HD22 LEU 84 HD22 LEU 84 16.866 12.785 -9.661 505 HD23 LEU 84 HD23 LEU 84 17.820 11.805 -8.522 506 H LEU 85 H LEU 85 16.829 11.508 -14.463 507 HA LEU 85 HA LEU 85 15.683 8.872 -14.204 508 HB2 LEU 85 HB2 LEU 85 15.311 11.322 -15.889 509 HB3 LEU 85 HB3 LEU 85 14.840 9.854 -16.673 510 HG LEU 85 HG LEU 85 13.894 10.458 -13.870 511 HD11 LEU 85 HD11 LEU 85 11.835 11.359 -14.897 512 HD12 LEU 85 HD12 LEU 85 13.248 12.353 -15.281 513 HD13 LEU 85 HD13 LEU 85 12.596 11.246 -16.506 514 HD21 LEU 85 HD21 LEU 85 12.053 8.927 -14.537 515 HD22 LEU 85 HD22 LEU 85 12.758 8.766 -16.151 516 HD23 LEU 85 HD23 LEU 85 13.612 8.124 -14.726 517 H GLY 86 H GLY 86 18.157 10.242 -16.355 518 HA2 GLY 86 HA2 GLY 86 19.742 9.165 -17.691 519 HA3 GLY 86 HA3 GLY 86 18.990 7.596 -17.373 520 H ARG 87 H ARG 87 16.815 10.057 -18.280 521 HA ARG 87 HA ARG 87 16.725 9.616 -21.175 522 HB2 ARG 87 HB2 ARG 87 14.434 8.693 -21.159 523 HB3 ARG 87 HB3 ARG 87 15.634 7.592 -20.475 524 HG2 ARG 87 HG2 ARG 87 14.925 8.290 -18.186 525 HG3 ARG 87 HG3 ARG 87 13.634 9.270 -18.894 526 HD2 ARG 87 HD2 ARG 87 14.003 6.261 -19.190 527 HD3 ARG 87 HD3 ARG 87 12.911 7.075 -18.060 528 HE ARG 87 HE ARG 87 11.860 8.136 -20.157 529 HH11 ARG 87 HH11 ARG 87 13.040 4.822 -20.242 530 HH12 ARG 87 HH12 ARG 87 11.980 4.416 -21.564 531 HH21 ARG 87 HH21 ARG 87 10.640 7.595 -21.785 532 HH22 ARG 87 HH22 ARG 87 10.618 5.964 -22.426 533 H GLN 88 H GLN 88 15.647 11.117 -22.228 534 HA GLN 88 HA GLN 88 15.092 13.632 -20.873 535 HB2 GLN 88 HB2 GLN 88 14.652 14.457 -23.084 536 HB3 GLN 88 HB3 GLN 88 16.132 13.480 -23.080 537 HG2 GLN 88 HG2 GLN 88 14.763 11.575 -24.071 538 HG3 GLN 88 HG3 GLN 88 13.404 12.696 -24.203 539 HE21 GLN 88 HE22 GLN 88 13.753 14.682 -25.637 540 HE22 GLN 88 HE21 GLN 88 14.889 14.508 -26.964 541 H SER 89 H SER 89 13.028 10.950 -21.530 542 HA SER 89 HA SER 89 10.697 12.653 -20.780 543 HB2 SER 89 HB2 SER 89 9.427 12.051 -22.817 544 HB3 SER 89 HB3 SER 89 10.902 12.947 -23.202 545 HG SER 89 HG SER 89 10.605 11.087 -24.570 546 H PHE 90 H PHE 90 8.776 11.814 -20.347 547 HA PHE 90 HA PHE 90 8.082 8.998 -20.274 548 HB2 PHE 90 HB2 PHE 90 7.848 8.805 -17.870 549 HB3 PHE 90 HB3 PHE 90 9.526 9.080 -18.289 550 HD1 PHE 90 HD1 PHE 90 10.611 11.281 -17.844 551 HD2 PHE 90 HD2 PHE 90 6.574 10.441 -16.572 552 HE1 PHE 90 HE1 PHE 90 10.700 13.205 -16.312 553 HE2 PHE 90 HE2 PHE 90 6.651 12.369 -15.031 554 HZ PHE 90 HZ PHE 90 8.762 13.697 -14.793 555 H SER 91 H SER 91 5.817 8.888 -19.131 556 HA SER 91 HA SER 91 4.273 11.431 -19.596 557 HB2 SER 91 HB2 SER 91 3.824 9.857 -21.381 558 HB3 SER 91 HB3 SER 91 3.481 8.569 -20.215 559 HG SER 91 HG SER 91 1.619 9.787 -21.123 560 H VAL 92 H VAL 92 2.555 11.833 -18.289 561 HA VAL 92 HA VAL 92 2.421 11.063 -15.537 562 HB VAL 92 HB VAL 92 0.640 12.302 -17.579 563 HG11 VAL 92 HG11 VAL 92 -1.017 11.181 -16.225 564 HG12 VAL 92 HG12 VAL 92 -0.347 11.956 -14.759 565 HG13 VAL 92 HG13 VAL 92 -1.072 12.922 -16.079 566 HG21 VAL 92 HG21 VAL 92 2.480 13.637 -16.585 567 HG22 VAL 92 HG22 VAL 92 0.885 14.316 -16.230 568 HG23 VAL 92 HG23 VAL 92 1.755 13.409 -14.981 569 H LYS 93 H LYS 93 1.162 9.577 -18.473 570 HA LYS 93 HA LYS 93 -0.426 7.540 -16.999 571 HB2 LYS 93 HB2 LYS 93 -0.158 8.204 -19.956 572 HB3 LYS 93 HB3 LYS 93 -1.081 6.835 -19.329 573 HG2 LYS 93 HG2 LYS 93 -2.459 8.364 -17.952 574 HG3 LYS 93 HG3 LYS 93 -1.628 9.760 -18.639 575 HD2 LYS 93 HD2 LYS 93 -3.087 7.691 -20.336 576 HD3 LYS 93 HD3 LYS 93 -3.921 9.071 -19.645 577 HE2 LYS 93 HE2 LYS 93 -1.458 9.431 -21.402 578 HE3 LYS 93 HE3 LYS 93 -3.061 9.198 -22.096 579 HZ1 LYS 93 HZ1 LYS 93 -2.390 11.415 -20.222 580 HZ2 LYS 93 HZ2 LYS 93 -2.567 11.565 -21.841 581 HZ3 LYS 93 HZ3 LYS 93 -3.846 11.162 -20.921 582 H ASP 94 H ASP 94 2.772 7.812 -17.632 583 HA ASP 94 HA ASP 94 3.166 4.885 -17.513 584 HB2 ASP 94 HB2 ASP 94 3.358 5.447 -19.892 585 HB3 ASP 94 HB3 ASP 94 4.589 6.655 -19.522 586 HA PRO 95 HA PRO 95 5.568 7.479 -14.465 587 HB2 PRO 95 HB2 PRO 95 4.914 6.117 -12.178 588 HB3 PRO 95 HB3 PRO 95 3.836 7.318 -12.929 589 HG2 PRO 95 HG2 PRO 95 3.762 4.306 -13.247 590 HG3 PRO 95 HG3 PRO 95 2.408 5.412 -12.838 591 HD2 PRO 95 HD2 PRO 95 2.821 4.585 -15.381 592 HD3 PRO 95 HD3 PRO 95 2.320 6.269 -15.041 593 H SER 96 H SER 96 5.686 4.135 -15.238 594 HA SER 96 HA SER 96 7.239 2.767 -13.635 595 HB2 SER 96 HB2 SER 96 6.367 1.966 -15.777 596 HB3 SER 96 HB3 SER 96 7.669 2.801 -16.641 597 HG SER 96 HG SER 96 8.123 0.557 -16.228 598 HA PRO 97 HA PRO 97 11.587 4.001 -15.005 599 HB2 PRO 97 HB2 PRO 97 12.186 6.384 -16.170 600 HB3 PRO 97 HB3 PRO 97 11.731 4.922 -17.098 601 HG2 PRO 97 HG2 PRO 97 9.929 7.224 -16.261 602 HG3 PRO 97 HG3 PRO 97 10.100 6.489 -17.891 603 HD2 PRO 97 HD2 PRO 97 8.110 5.759 -16.252 604 HD3 PRO 97 HD3 PRO 97 8.956 4.533 -17.232 605 H LEU 98 H LEU 98 9.440 6.526 -13.698 606 HA LEU 98 HA LEU 98 11.419 7.890 -12.092 607 HB2 LEU 98 HB2 LEU 98 8.421 7.466 -11.554 608 HB3 LEU 98 HB3 LEU 98 9.418 8.745 -10.923 609 HG LEU 98 HG LEU 98 8.771 8.462 -13.885 610 HD11 LEU 98 HD11 LEU 98 7.038 10.163 -13.509 611 HD12 LEU 98 HD12 LEU 98 6.680 8.673 -12.625 612 HD13 LEU 98 HD13 LEU 98 7.321 10.081 -11.754 613 HD21 LEU 98 HD21 LEU 98 10.737 9.923 -13.079 614 HD22 LEU 98 HD22 LEU 98 9.486 10.725 -14.047 615 HD23 LEU 98 HD23 LEU 98 9.518 10.929 -12.286 616 H TYR 99 H TYR 99 8.996 5.308 -11.484 617 HA TYR 99 HA TYR 99 9.757 4.877 -8.769 618 HB2 TYR 99 HB2 TYR 99 8.232 3.238 -10.834 619 HB3 TYR 99 HB3 TYR 99 8.554 2.615 -9.227 620 HD1 TYR 99 HD1 TYR 99 6.945 5.595 -10.973 621 HD2 TYR 99 HD2 TYR 99 7.187 3.132 -7.415 622 HE1 TYR 99 HE1 TYR 99 5.000 6.787 -9.990 623 HE2 TYR 99 HE2 TYR 99 5.204 4.306 -6.478 624 HH TYR 99 HH TYR 99 3.489 6.901 -8.244 625 H ASP 100 H ASP 100 11.053 3.607 -11.793 626 HA ASP 100 HA ASP 100 12.745 1.565 -10.618 627 HB2 ASP 100 HB2 ASP 100 11.870 1.778 -12.988 628 HB3 ASP 100 HB3 ASP 100 13.136 2.961 -13.247 629 H MET 101 H MET 101 13.226 4.946 -11.591 630 HA MET 101 HA MET 101 15.996 5.069 -10.789 631 HB2 MET 101 HB2 MET 101 16.006 7.213 -11.414 632 HB3 MET 101 HB3 MET 101 14.474 6.809 -12.170 633 HG2 MET 101 HG2 MET 101 13.450 7.528 -9.886 634 HG3 MET 101 HG3 MET 101 14.995 8.287 -9.574 635 HE1 MET 101 HE1 MET 101 11.826 10.710 -10.597 636 HE2 MET 101 HE2 MET 101 11.719 9.039 -9.984 637 HE3 MET 101 HE3 MET 101 12.787 10.215 -9.186 638 H LEU 102 H LEU 102 13.001 5.140 -8.903 639 HA LEU 102 HA LEU 102 14.386 5.999 -6.450 640 HB2 LEU 102 HB2 LEU 102 11.553 4.995 -6.937 641 HB3 LEU 102 HB3 LEU 102 12.184 5.490 -5.374 642 HG LEU 102 HG LEU 102 11.924 7.289 -7.808 643 HD11 LEU 102 HD11 LEU 102 9.758 6.665 -6.837 644 HD12 LEU 102 HD12 LEU 102 10.312 7.194 -5.231 645 HD13 LEU 102 HD13 LEU 102 10.119 8.372 -6.550 646 HD21 LEU 102 HD21 LEU 102 12.349 9.145 -6.218 647 HD22 LEU 102 HD22 LEU 102 12.795 7.960 -4.971 648 HD23 LEU 102 HD23 LEU 102 13.759 8.111 -6.458 649 H ARG 103 H ARG 103 13.222 2.918 -7.883 650 HA ARG 103 HA ARG 103 13.331 1.203 -5.835 651 HB2 ARG 103 HB2 ARG 103 14.349 0.877 -8.669 652 HB3 ARG 103 HB3 ARG 103 14.507 -0.468 -7.544 653 HG2 ARG 103 HG2 ARG 103 12.028 -0.418 -7.171 654 HG3 ARG 103 HG3 ARG 103 11.905 0.791 -8.464 655 HD2 ARG 103 HD2 ARG 103 13.012 -0.765 -10.032 656 HD3 ARG 103 HD3 ARG 103 13.067 -1.996 -8.770 657 HE ARG 103 HE ARG 103 10.549 -1.835 -8.690 658 HH11 ARG 103 HH11 ARG 103 12.144 -1.072 -11.780 659 HH12 ARG 103 HH12 ARG 103 10.737 -1.593 -12.666 660 HH21 ARG 103 HH21 ARG 103 8.842 -2.421 -9.937 661 HH22 ARG 103 HH22 ARG 103 8.935 -2.305 -11.669 662 H LYS 104 H LYS 104 16.239 2.345 -7.393 663 HA LYS 104 HA LYS 104 18.039 1.013 -5.456 664 HB2 LYS 104 HB2 LYS 104 19.742 1.674 -7.307 665 HB3 LYS 104 HB3 LYS 104 18.736 0.252 -7.445 666 HG2 LYS 104 HG2 LYS 104 18.994 1.464 -9.568 667 HG3 LYS 104 HG3 LYS 104 17.327 1.265 -9.079 668 HD2 LYS 104 HD2 LYS 104 17.674 3.476 -10.039 669 HD3 LYS 104 HD3 LYS 104 17.182 3.581 -8.363 670 HE2 LYS 104 HE2 LYS 104 18.845 5.252 -8.764 671 HE3 LYS 104 HE3 LYS 104 19.523 4.051 -7.671 672 HZ1 LYS 104 HZ1 LYS 104 20.059 4.174 -10.616 673 HZ2 LYS 104 HZ2 LYS 104 21.101 4.656 -9.461 674 HZ3 LYS 104 HZ3 LYS 104 20.724 3.080 -9.600 675 H ASN 105 H ASN 105 16.735 4.053 -5.808 676 HA ASN 105 HA ASN 105 19.154 5.551 -4.753 677 HB2 ASN 105 HB2 ASN 105 17.765 6.297 -6.799 678 HB3 ASN 105 HB3 ASN 105 16.529 6.781 -5.609 679 HD21 ASN 105 HD22 ASN 105 19.849 7.195 -6.742 680 HD22 ASN 105 HD21 ASN 105 20.210 8.540 -5.695 681 H LEU 106 H LEU 106 15.790 4.687 -4.149 682 HA LEU 106 HA LEU 106 15.873 5.723 -1.340 683 HB2 LEU 106 HB2 LEU 106 14.659 7.215 -2.743 684 HB3 LEU 106 HB3 LEU 106 13.840 5.895 -3.578 685 HG LEU 106 HG LEU 106 12.507 5.384 -1.629 686 HD11 LEU 106 HD11 LEU 106 14.063 6.176 0.211 687 HD12 LEU 106 HD12 LEU 106 13.845 7.844 -0.354 688 HD13 LEU 106 HD13 LEU 106 12.482 6.939 0.334 689 HD21 LEU 106 HD21 LEU 106 11.146 7.437 -1.563 690 HD22 LEU 106 HD22 LEU 106 12.464 8.313 -2.379 691 HD23 LEU 106 HD23 LEU 106 11.622 6.966 -3.200 692 H VAL 107 H VAL 107 15.467 4.360 0.176 693 HA VAL 107 HA VAL 107 14.247 1.699 -0.340 694 HB VAL 107 HB VAL 107 15.608 2.781 2.155 695 HG11 VAL 107 HG11 VAL 107 13.995 1.040 2.788 696 HG12 VAL 107 HG12 VAL 107 14.616 -0.033 1.507 697 HG13 VAL 107 HG13 VAL 107 15.634 0.406 2.895 698 HG21 VAL 107 HG21 VAL 107 17.418 1.193 1.552 699 HG22 VAL 107 HG22 VAL 107 16.565 0.794 0.044 700 HG23 VAL 107 HG23 VAL 107 17.211 2.428 0.310 701 H THR 108 H THR 108 12.300 1.034 0.611 702 HA THR 108 HA THR 108 10.657 3.118 1.987 703 HB THR 108 HB THR 108 10.008 3.168 -0.285 704 HG1 THR 108 HG1 THR 108 7.851 2.651 -0.068 705 HG21 THR 108 HG21 THR 108 10.753 1.041 -1.190 706 HG22 THR 108 HG22 THR 108 9.640 0.149 -0.129 707 HG23 THR 108 HG23 THR 108 9.011 1.177 -1.439 708 H LEU 109 H LEU 109 8.684 2.230 2.913 709 HA LEU 109 HA LEU 109 9.192 0.072 4.818 710 HB2 LEU 109 HB2 LEU 109 7.901 2.121 5.287 711 HB3 LEU 109 HB3 LEU 109 6.680 1.659 4.105 712 HG LEU 109 HG LEU 109 7.259 -0.295 6.332 713 HD11 LEU 109 HD11 LEU 109 5.665 2.274 6.724 714 HD12 LEU 109 HD12 LEU 109 5.736 0.907 7.860 715 HD13 LEU 109 HD13 LEU 109 7.195 1.848 7.528 716 HD21 LEU 109 HD21 LEU 109 4.652 0.711 5.082 717 HD22 LEU 109 HD22 LEU 109 5.484 -0.781 4.614 718 HD23 LEU 109 HD23 LEU 109 4.817 -0.625 6.240 719 H ALA 110 H ALA 110 7.680 0.348 1.650 720 HA ALA 110 HA ALA 110 5.973 -1.883 1.699 721 HB1 ALA 110 HB1 ALA 110 5.928 -0.084 0.000 722 HB2 ALA 110 HB2 ALA 110 7.479 -0.661 -0.654 723 HB3 ALA 110 HB3 ALA 110 6.033 -1.685 -0.761 724 H THR 111 H THR 111 6.172 -4.033 1.291 725 HA THR 111 HA THR 111 8.784 -5.253 0.580 726 HB THR 111 HB THR 111 8.699 -4.886 3.026 727 HG1 THR 111 HG1 THR 111 9.922 -6.584 2.319 728 HG21 THR 111 HG21 THR 111 7.300 -6.251 4.470 729 HG22 THR 111 HG22 THR 111 6.290 -5.192 3.478 730 HG23 THR 111 HG23 THR 111 6.430 -6.920 3.076 731 HD1 48M 200 HD1 48M 200 2.631 15.131 -13.288 732 HD2 48M 200 HD2 48M 200 3.078 13.359 -9.380 733 HD3 48M 200 HD3 48M 200 -0.503 11.221 -9.761 734 HD4 48M 200 HD4 48M 200 2.095 12.355 -12.991 735 HD5 48M 200 HD5 48M 200 -2.246 14.236 -14.227 736 HE1 48M 200 HE1 48M 200 4.940 14.458 -13.847 737 HE2 48M 200 HE2 48M 200 5.376 12.690 -9.964 738 HE3 48M 200 HE3 48M 200 0.338 8.901 -9.913 739 HE5 48M 200 HE5 48M 200 -3.107 15.189 -16.307 740 HE6 48M 200 HE6 48M 200 -0.018 18.155 -16.265 741 HZ2 48M 200 HZ2 48M 200 2.123 8.327 -11.542 742 HM21 48M 200 HM21 48M 200 3.677 17.514 -16.386 743 HM22 48M 200 HM22 48M 200 3.403 16.159 -15.281 744 HM23 48M 200 HM23 48M 200 2.194 16.562 -16.506 745 HM31 48M 200 HM31 48M 200 3.745 17.639 -13.286 746 HM32 48M 200 HM32 48M 200 3.970 19.112 -14.252 747 HM33 48M 200 HM33 48M 200 2.708 19.044 -13.018 748 HN1 48M 200 HN1 48M 200 -3.013 20.426 -10.528 749 H21 48M 200 H21 48M 200 -2.490 17.957 -9.751 750 H22 48M 200 H22 48M 200 -3.634 18.192 -11.087 751 H31 48M 200 H31 48M 200 -1.864 16.484 -11.503 752 H32 48M 200 H32 48M 200 -1.921 17.761 -12.738 753 H41 48M 200 H41 48M 200 0.435 19.652 -12.381 754 H42 48M 200 H42 48M 200 0.826 19.514 -10.654 755 H7 48M 200 H7 48M 200 -0.509 13.425 -10.398 756 H8 48M 200 H8 48M 200 1.153 14.827 -9.894 757 H9 48M 200 H9 48M 200 1.794 18.797 -15.348 Start of MODEL 2 1 H1 GLN 23 H GLN 23 5.837 15.430 13.054 2 HA GLN 23 HA GLN 23 8.270 15.697 11.559 3 HB2 GLN 23 HB2 GLN 23 9.739 14.230 12.819 4 HB3 GLN 23 HB3 GLN 23 9.301 15.643 13.774 5 HG2 GLN 23 HG2 GLN 23 7.640 14.269 15.038 6 HG3 GLN 23 HG3 GLN 23 8.083 12.855 14.074 7 HE21 GLN 23 HE22 GLN 23 9.394 15.243 16.444 8 HE22 GLN 23 HE21 GLN 23 10.658 14.163 17.020 9 H ILE 24 H ILE 24 8.955 13.807 10.468 10 HA ILE 24 HA ILE 24 6.725 11.922 9.868 11 HB ILE 24 HB ILE 24 9.020 12.991 8.188 12 HG12 ILE 24 HG12 ILE 24 6.070 13.309 7.584 13 HG13 ILE 24 HG13 ILE 24 6.900 14.475 8.617 14 HG21 ILE 24 HG21 ILE 24 7.837 11.727 6.291 15 HG22 ILE 24 HG22 ILE 24 8.608 10.710 7.500 16 HG23 ILE 24 HG23 ILE 24 6.844 10.937 7.528 17 HD11 ILE 24 HD11 ILE 24 7.549 13.884 5.708 18 HD12 ILE 24 HD12 ILE 24 6.837 15.353 6.387 19 HD13 ILE 24 HD13 ILE 24 8.518 14.935 6.771 20 H ASN 25 H ASN 25 7.144 9.750 9.529 21 HA ASN 25 HA ASN 25 9.611 8.685 10.824 22 HB2 ASN 25 HB2 ASN 25 6.888 7.367 10.613 23 HB3 ASN 25 HB3 ASN 25 8.251 6.912 11.630 24 HD21 ASN 25 HD22 ASN 25 8.941 9.342 12.894 25 HD22 ASN 25 HD21 ASN 25 7.546 9.913 13.790 26 H GLN 26 H GLN 26 10.039 9.289 8.330 27 HA GLN 26 HA GLN 26 9.900 6.815 6.644 28 HB2 GLN 26 HB2 GLN 26 9.299 9.600 5.687 29 HB3 GLN 26 HB3 GLN 26 9.431 8.149 4.704 30 HG2 GLN 26 HG2 GLN 26 7.409 8.617 6.857 31 HG3 GLN 26 HG3 GLN 26 7.139 8.662 5.124 32 HE21 GLN 26 HE22 GLN 26 8.717 6.109 4.523 33 HE22 GLN 26 HE21 GLN 26 7.636 4.876 5.155 34 H VAL 27 H VAL 27 11.188 7.462 4.525 35 HA VAL 27 HA VAL 27 13.944 7.847 5.567 36 HB VAL 27 HB VAL 27 13.039 6.135 3.227 37 HG11 VAL 27 HG11 VAL 27 15.315 5.082 3.424 38 HG12 VAL 27 HG12 VAL 27 15.366 6.724 2.816 39 HG13 VAL 27 HG13 VAL 27 15.796 6.381 4.519 40 HG21 VAL 27 HG21 VAL 27 12.302 5.199 5.369 41 HG22 VAL 27 HG22 VAL 27 13.673 4.252 4.790 42 HG23 VAL 27 HG23 VAL 27 13.914 5.447 6.076 43 H ARG 28 H ARG 28 15.642 8.615 4.419 44 HA ARG 28 HA ARG 28 15.028 10.941 2.733 45 HB2 ARG 28 HB2 ARG 28 16.260 11.241 4.801 46 HB3 ARG 28 HB3 ARG 28 17.487 10.080 4.302 47 HG2 ARG 28 HG2 ARG 28 18.301 11.584 2.567 48 HG3 ARG 28 HG3 ARG 28 16.966 12.715 2.852 49 HD2 ARG 28 HD2 ARG 28 17.756 12.974 5.222 50 HD3 ARG 28 HD3 ARG 28 19.141 11.950 4.860 51 HE ARG 28 HE ARG 28 18.684 14.760 4.066 52 HH11 ARG 28 HH11 ARG 28 20.824 12.021 3.487 53 HH12 ARG 28 HH12 ARG 28 22.121 13.082 3.015 54 HH21 ARG 28 HH21 ARG 28 20.208 15.940 3.504 55 HH22 ARG 28 HH22 ARG 28 21.783 15.331 2.984 56 HA PRO 29 HA PRO 29 16.728 8.666 -0.827 57 HB2 PRO 29 HB2 PRO 29 16.440 10.645 -2.711 58 HB3 PRO 29 HB3 PRO 29 15.099 9.631 -2.132 59 HG2 PRO 29 HG2 PRO 29 15.829 12.435 -1.281 60 HG3 PRO 29 HG3 PRO 29 14.210 11.766 -1.635 61 HD2 PRO 29 HD2 PRO 29 15.226 12.039 0.904 62 HD3 PRO 29 HD3 PRO 29 14.067 10.747 0.461 63 H LYS 30 H LYS 30 18.585 8.968 -2.315 64 HA LYS 30 HA LYS 30 20.886 10.046 -1.003 65 HB2 LYS 30 HB2 LYS 30 20.479 8.282 -3.116 66 HB3 LYS 30 HB3 LYS 30 21.137 9.679 -3.954 67 HG2 LYS 30 HG2 LYS 30 22.936 9.584 -1.965 68 HG3 LYS 30 HG3 LYS 30 22.344 7.915 -1.821 69 HD2 LYS 30 HD2 LYS 30 23.002 7.466 -4.148 70 HD3 LYS 30 HD3 LYS 30 23.495 9.159 -4.365 71 HE2 LYS 30 HE2 LYS 30 25.189 8.891 -2.565 72 HE3 LYS 30 HE3 LYS 30 24.695 7.210 -2.340 73 HZ1 LYS 30 HZ1 LYS 30 26.659 7.377 -3.762 74 HZ2 LYS 30 HZ2 LYS 30 25.429 6.755 -4.628 75 HZ3 LYS 30 HZ3 LYS 30 25.881 8.315 -4.842 76 H LEU 31 H LEU 31 22.346 11.686 -1.768 77 HA LEU 31 HA LEU 31 21.233 14.230 -1.823 78 HB2 LEU 31 HB2 LEU 31 23.970 13.190 -2.603 79 HB3 LEU 31 HB3 LEU 31 23.590 14.881 -2.828 80 HG LEU 31 HG LEU 31 24.810 14.527 -0.783 81 HD11 LEU 31 HD11 LEU 31 23.468 15.834 0.723 82 HD12 LEU 31 HD12 LEU 31 23.160 16.391 -0.927 83 HD13 LEU 31 HD13 LEU 31 21.965 15.368 -0.095 84 HD21 LEU 31 HD21 LEU 31 22.431 12.968 0.300 85 HD22 LEU 31 HD22 LEU 31 24.000 12.262 -0.182 86 HD23 LEU 31 HD23 LEU 31 23.922 13.409 1.159 87 HA PRO 32 HA PRO 32 21.648 14.832 -6.566 88 HB2 PRO 32 HB2 PRO 32 21.518 12.570 -8.184 89 HB3 PRO 32 HB3 PRO 32 23.020 13.420 -7.704 90 HG2 PRO 32 HG2 PRO 32 21.758 10.972 -6.433 91 HG3 PRO 32 HG3 PRO 32 23.478 11.237 -6.868 92 HD2 PRO 32 HD2 PRO 32 22.668 11.579 -4.351 93 HD3 PRO 32 HD3 PRO 32 23.785 12.766 -5.073 94 H LEU 33 H LEU 33 19.668 12.175 -5.256 95 HA LEU 33 HA LEU 33 17.373 12.784 -6.996 96 HB2 LEU 33 HB2 LEU 33 17.751 11.021 -4.520 97 HB3 LEU 33 HB3 LEU 33 16.163 11.398 -5.171 98 HG LEU 33 HG LEU 33 16.922 10.378 -7.372 99 HD11 LEU 33 HD11 LEU 33 19.388 10.322 -6.950 100 HD12 LEU 33 HD12 LEU 33 19.119 9.229 -5.579 101 HD13 LEU 33 HD13 LEU 33 18.730 8.717 -7.241 102 HD21 LEU 33 HD21 LEU 33 16.461 8.107 -6.545 103 HD22 LEU 33 HD22 LEU 33 16.779 8.643 -4.869 104 HD23 LEU 33 HD23 LEU 33 15.405 9.299 -5.770 105 H LEU 34 H LEU 34 18.217 13.316 -3.547 106 HA LEU 34 HA LEU 34 15.939 14.804 -2.801 107 HB2 LEU 34 HB2 LEU 34 17.694 13.772 -1.308 108 HB3 LEU 34 HB3 LEU 34 18.827 15.013 -1.814 109 HG LEU 34 HG LEU 34 17.422 16.761 -0.749 110 HD11 LEU 34 HD11 LEU 34 15.706 14.412 0.190 111 HD12 LEU 34 HD12 LEU 34 15.601 16.075 0.796 112 HD13 LEU 34 HD13 LEU 34 15.182 15.740 -0.881 113 HD21 LEU 34 HD21 LEU 34 17.886 16.097 1.569 114 HD22 LEU 34 HD22 LEU 34 18.075 14.401 1.067 115 HD23 LEU 34 HD23 LEU 34 19.226 15.638 0.510 116 H LYS 35 H LYS 35 18.937 15.975 -4.398 117 HA LYS 35 HA LYS 35 18.463 18.718 -4.334 118 HB2 LYS 35 HB2 LYS 35 20.333 17.082 -5.531 119 HB3 LYS 35 HB3 LYS 35 19.397 17.532 -6.944 120 HG2 LYS 35 HG2 LYS 35 21.096 19.190 -6.787 121 HG3 LYS 35 HG3 LYS 35 19.654 19.972 -6.147 122 HD2 LYS 35 HD2 LYS 35 21.305 20.536 -4.546 123 HD3 LYS 35 HD3 LYS 35 20.485 19.162 -3.805 124 HE2 LYS 35 HE2 LYS 35 22.769 18.780 -3.438 125 HE3 LYS 35 HE3 LYS 35 22.306 17.650 -4.709 126 HZ1 LYS 35 HZ1 LYS 35 24.417 18.792 -5.202 127 HZ2 LYS 35 HZ2 LYS 35 23.321 19.203 -6.335 128 HZ3 LYS 35 HZ3 LYS 35 23.705 20.254 -5.142 129 H ILE 36 H ILE 36 16.822 16.382 -6.463 130 HA ILE 36 HA ILE 36 15.462 18.299 -8.141 131 HB ILE 36 HB ILE 36 14.541 15.531 -7.310 132 HG12 ILE 36 HG12 ILE 36 16.698 15.287 -8.231 133 HG13 ILE 36 HG13 ILE 36 15.522 14.815 -9.458 134 HG21 ILE 36 HG21 ILE 36 13.279 15.625 -9.413 135 HG22 ILE 36 HG22 ILE 36 12.732 16.830 -8.257 136 HG23 ILE 36 HG23 ILE 36 13.739 17.329 -9.634 137 HD11 ILE 36 HD11 ILE 36 17.217 17.322 -9.332 138 HD12 ILE 36 HD12 ILE 36 17.301 16.010 -10.513 139 HD13 ILE 36 HD13 ILE 36 15.898 17.111 -10.507 140 H LEU 37 H LEU 37 14.544 16.545 -5.164 141 HA LEU 37 HA LEU 37 11.886 17.553 -4.839 142 HB2 LEU 37 HB2 LEU 37 13.934 16.288 -2.959 143 HB3 LEU 37 HB3 LEU 37 12.354 16.775 -2.402 144 HG LEU 37 HG LEU 37 11.245 15.199 -3.806 145 HD11 LEU 37 HD11 LEU 37 12.635 15.053 -5.806 146 HD12 LEU 37 HD12 LEU 37 13.929 14.274 -4.845 147 HD13 LEU 37 HD13 LEU 37 12.375 13.464 -5.100 148 HD21 LEU 37 HD21 LEU 37 13.605 14.018 -2.308 149 HD22 LEU 37 HD22 LEU 37 12.019 14.455 -1.630 150 HD23 LEU 37 HD23 LEU 37 12.156 13.117 -2.785 151 H HIS 38 H HIS 38 15.014 18.633 -3.484 152 HA HIS 38 HA HIS 38 13.878 20.896 -2.047 153 HB2 HIS 38 HB2 HIS 38 16.654 19.955 -2.826 154 HB3 HIS 38 HB3 HIS 38 16.408 21.535 -2.066 155 HD2 HIS 38 HD2 HIS 38 13.955 19.091 -0.665 156 HE1 HIS 38 HE1 HIS 38 17.137 19.208 2.160 157 HE2 HIS 38 HE2 HIS 38 14.714 18.475 1.771 158 H ALA 39 H ALA 39 15.378 20.602 -5.314 159 HA ALA 39 HA ALA 39 15.185 23.349 -6.031 160 HB1 ALA 39 HB1 ALA 39 16.487 21.776 -7.345 161 HB2 ALA 39 HB2 ALA 39 15.063 20.776 -7.665 162 HB3 ALA 39 HB3 ALA 39 15.179 22.403 -8.369 163 H ALA 40 H ALA 40 12.748 20.771 -5.902 164 HA ALA 40 HA ALA 40 10.676 22.387 -7.082 165 HB1 ALA 40 HB1 ALA 40 9.312 20.538 -6.738 166 HB2 ALA 40 HB2 ALA 40 10.910 19.771 -6.837 167 HB3 ALA 40 HB3 ALA 40 10.159 20.030 -5.261 168 H GLY 41 H GLY 41 11.955 22.126 -3.794 169 HA2 GLY 41 HA2 GLY 41 11.415 23.519 -1.979 170 HA3 GLY 41 HA3 GLY 41 9.876 23.954 -2.714 171 H ALA 42 H ALA 42 11.424 20.795 -1.809 172 HA ALA 42 HA ALA 42 9.013 19.656 -0.767 173 HB1 ALA 42 HB1 ALA 42 10.400 17.835 -0.038 174 HB2 ALA 42 HB2 ALA 42 10.912 18.355 -1.640 175 HB3 ALA 42 HB3 ALA 42 11.863 18.813 -0.192 176 H GLN 43 H GLN 43 8.648 18.860 1.403 177 HA GLN 43 HA GLN 43 8.954 21.083 3.314 178 HB2 GLN 43 HB2 GLN 43 6.720 20.077 2.416 179 HB3 GLN 43 HB3 GLN 43 7.024 18.774 3.556 180 HG2 GLN 43 HG2 GLN 43 5.545 20.373 4.571 181 HG3 GLN 43 HG3 GLN 43 7.073 20.493 5.416 182 HE21 GLN 43 HE22 GLN 43 5.918 22.614 6.072 183 HE22 GLN 43 HE21 GLN 43 6.194 23.992 5.014 184 H GLY 44 H GLY 44 11.159 19.228 2.976 185 HA2 GLY 44 HA2 GLY 44 12.235 18.808 5.460 186 HA3 GLY 44 HA3 GLY 44 11.172 17.417 5.280 187 H GLU 45 H GLU 45 13.030 16.167 5.484 188 HA GLU 45 HA GLU 45 14.387 15.610 2.872 189 HB2 GLU 45 HB2 GLU 45 15.622 15.547 5.652 190 HB3 GLU 45 HB3 GLU 45 16.378 14.884 4.198 191 HG2 GLU 45 HG2 GLU 45 16.313 17.126 3.141 192 HG3 GLU 45 HG3 GLU 45 15.637 17.806 4.623 193 H MET 46 H MET 46 12.319 14.360 5.242 194 HA MET 46 HA MET 46 12.968 11.475 4.599 195 HB2 MET 46 HB2 MET 46 12.176 12.810 7.213 196 HB3 MET 46 HB3 MET 46 11.885 11.116 6.891 197 HG2 MET 46 HG2 MET 46 13.903 11.186 8.086 198 HG3 MET 46 HG3 MET 46 14.312 10.779 6.429 199 HE1 MET 46 HE1 MET 46 14.455 13.436 9.299 200 HE2 MET 46 HE2 MET 46 15.265 14.818 8.530 201 HE3 MET 46 HE3 MET 46 13.601 14.404 8.073 202 H PHE 47 H PHE 47 11.365 10.797 3.230 203 HA PHE 47 HA PHE 47 8.506 11.308 3.924 204 HB2 PHE 47 HB2 PHE 47 8.806 11.741 1.092 205 HB3 PHE 47 HB3 PHE 47 8.088 12.748 2.320 206 HD1 PHE 47 HD2 PHE 47 11.584 11.749 1.274 207 HD2 PHE 47 HD1 PHE 47 8.881 14.944 2.346 208 HE1 PHE 47 HE2 PHE 47 13.346 13.397 0.822 209 HE2 PHE 47 HE1 PHE 47 10.637 16.609 1.804 210 HZ PHE 47 HZ PHE 47 12.870 15.849 1.001 211 H THR 48 H THR 48 6.974 10.164 2.387 212 HA THR 48 HA THR 48 7.761 7.377 1.853 213 HB THR 48 HB THR 48 5.312 7.250 1.132 214 HG1 THR 48 HG1 THR 48 4.205 9.262 1.951 215 HG21 THR 48 HG21 THR 48 4.460 7.187 3.279 216 HG22 THR 48 HG22 THR 48 6.199 6.978 3.582 217 HG23 THR 48 HG23 THR 48 5.430 8.565 3.837 218 H VAL 49 H VAL 49 7.109 6.400 -0.274 219 HA VAL 49 HA VAL 49 8.310 7.413 -2.563 220 HB VAL 49 HB VAL 49 7.731 5.102 -2.111 221 HG11 VAL 49 HG11 VAL 49 4.959 5.685 -3.186 222 HG12 VAL 49 HG12 VAL 49 5.650 4.116 -2.757 223 HG13 VAL 49 HG13 VAL 49 5.344 5.300 -1.483 224 HG21 VAL 49 HG21 VAL 49 7.386 4.505 -4.467 225 HG22 VAL 49 HG22 VAL 49 6.849 6.159 -4.828 226 HG23 VAL 49 HG23 VAL 49 8.523 5.850 -4.314 227 H LYS 50 H LYS 50 4.939 7.580 -1.515 228 HA LYS 50 HA LYS 50 3.915 8.959 -3.781 229 HB2 LYS 50 HB2 LYS 50 1.895 8.824 -2.619 230 HB3 LYS 50 HB3 LYS 50 2.782 7.357 -2.239 231 HG2 LYS 50 HG2 LYS 50 3.390 8.280 -0.043 232 HG3 LYS 50 HG3 LYS 50 2.481 9.769 -0.393 233 HD2 LYS 50 HD2 LYS 50 0.409 8.392 -0.617 234 HD3 LYS 50 HD3 LYS 50 1.356 6.940 -0.206 235 HE2 LYS 50 HE2 LYS 50 1.950 7.927 1.982 236 HE3 LYS 50 HE3 LYS 50 1.058 9.402 1.578 237 HZ1 LYS 50 HZ1 LYS 50 -0.283 7.907 2.951 238 HZ2 LYS 50 HZ2 LYS 50 -0.985 8.066 1.489 239 HZ3 LYS 50 HZ3 LYS 50 -0.166 6.700 1.860 240 H GLU 51 H GLU 51 5.235 10.168 -0.700 241 HA GLU 51 HA GLU 51 4.560 12.953 -1.346 242 HB2 GLU 51 HB2 GLU 51 6.364 11.685 0.731 243 HB3 GLU 51 HB3 GLU 51 6.172 13.429 0.548 244 HG2 GLU 51 HG2 GLU 51 3.848 11.531 1.095 245 HG3 GLU 51 HG3 GLU 51 4.765 12.356 2.347 246 H VAL 52 H VAL 52 7.626 10.979 -1.509 247 HA VAL 52 HA VAL 52 9.212 13.069 -2.510 248 HB VAL 52 HB VAL 52 10.643 11.426 -3.531 249 HG11 VAL 52 HG11 VAL 52 10.807 12.091 -1.120 250 HG12 VAL 52 HG12 VAL 52 9.900 10.625 -0.693 251 HG13 VAL 52 HG13 VAL 52 11.495 10.496 -1.459 252 HG21 VAL 52 HG21 VAL 52 10.466 9.055 -3.146 253 HG22 VAL 52 HG22 VAL 52 8.828 9.326 -2.549 254 HG23 VAL 52 HG23 VAL 52 9.238 9.630 -4.255 255 H MET 53 H MET 53 7.469 10.643 -4.412 256 HA MET 53 HA MET 53 8.082 11.862 -6.894 257 HB2 MET 53 HB2 MET 53 6.785 10.311 -7.946 258 HB3 MET 53 HB3 MET 53 7.320 9.506 -6.493 259 HG2 MET 53 HG2 MET 53 5.086 8.884 -6.633 260 HG3 MET 53 HG3 MET 53 5.056 10.188 -5.454 261 HE1 MET 53 HE1 MET 53 5.230 10.218 -9.456 262 HE2 MET 53 HE2 MET 53 4.014 8.978 -9.073 263 HE3 MET 53 HE3 MET 53 3.533 10.508 -9.839 264 H HIS 54 H HIS 54 5.586 12.868 -4.609 265 HA HIS 54 HA HIS 54 3.987 14.392 -6.483 266 HB2 HIS 54 HB2 HIS 54 3.189 13.787 -4.237 267 HB3 HIS 54 HB3 HIS 54 4.434 14.789 -3.499 268 HD2 HIS 54 HD2 HIS 54 4.007 17.366 -3.286 269 HE1 HIS 54 HE1 HIS 54 0.295 17.595 -5.378 270 HE2 HIS 54 HE2 HIS 54 1.962 18.890 -3.951 271 H TYR 55 H TYR 55 6.903 15.168 -4.567 272 HA TYR 55 HA TYR 55 7.076 17.895 -5.392 273 HB2 TYR 55 HB2 TYR 55 9.371 16.047 -4.719 274 HB3 TYR 55 HB3 TYR 55 9.418 17.803 -4.735 275 HD1 TYR 55 HD2 TYR 55 7.325 18.879 -3.252 276 HD2 TYR 55 HD1 TYR 55 9.343 15.146 -2.574 277 HE1 TYR 55 HE2 TYR 55 6.461 18.844 -0.919 278 HE2 TYR 55 HE1 TYR 55 8.544 15.134 -0.222 279 HH TYR 55 HH TYR 55 6.356 17.665 1.069 280 H LEU 56 H LEU 56 7.828 14.954 -7.223 281 HA LEU 56 HA LEU 56 9.357 16.333 -9.302 282 HB2 LEU 56 HB2 LEU 56 7.694 13.820 -9.642 283 HB3 LEU 56 HB3 LEU 56 9.029 14.370 -10.640 284 HG LEU 56 HG LEU 56 9.257 13.416 -7.759 285 HD11 LEU 56 HD11 LEU 56 8.638 11.634 -9.388 286 HD12 LEU 56 HD12 LEU 56 10.078 12.066 -10.336 287 HD13 LEU 56 HD13 LEU 56 10.254 11.408 -8.689 288 HD21 LEU 56 HD21 LEU 56 11.682 13.345 -8.192 289 HD22 LEU 56 HD22 LEU 56 11.408 14.091 -9.783 290 HD23 LEU 56 HD23 LEU 56 11.043 14.992 -8.290 291 H GLY 57 H GLY 57 5.911 15.403 -8.866 292 HA2 GLY 57 HA2 GLY 57 4.848 16.492 -11.252 293 HA3 GLY 57 HA3 GLY 57 3.992 16.338 -9.710 294 H GLN 58 H GLN 58 5.210 18.113 -8.023 295 HA GLN 58 HA GLN 58 4.385 20.655 -9.062 296 HB2 GLN 58 HB2 GLN 58 4.577 21.490 -6.998 297 HB3 GLN 58 HB3 GLN 58 4.529 19.781 -6.587 298 HG2 GLN 58 HG2 GLN 58 7.078 19.858 -6.485 299 HG3 GLN 58 HG3 GLN 58 7.006 21.585 -6.755 300 HE21 GLN 58 HE22 GLN 58 7.891 22.144 -4.658 301 HE22 GLN 58 HE21 GLN 58 7.108 21.714 -3.158 302 H TYR 59 H TYR 59 7.693 19.224 -8.778 303 HA TYR 59 HA TYR 59 9.180 21.492 -9.500 304 HB2 TYR 59 HB2 TYR 59 10.155 19.336 -8.782 305 HB3 TYR 59 HB3 TYR 59 9.589 18.551 -10.217 306 HD1 TYR 59 HD2 TYR 59 10.524 19.283 -12.498 307 HD2 TYR 59 HD1 TYR 59 12.328 20.292 -8.710 308 HE1 TYR 59 HE2 TYR 59 12.742 19.480 -13.601 309 HE2 TYR 59 HE1 TYR 59 14.553 20.421 -9.822 310 HH TYR 59 HH TYR 59 15.730 20.220 -11.763 311 H ILE 60 H ILE 60 7.733 18.950 -11.635 312 HA ILE 60 HA ILE 60 8.430 20.158 -14.128 313 HB ILE 60 HB ILE 60 6.123 18.332 -13.383 314 HG12 ILE 60 HG12 ILE 60 8.631 17.405 -14.822 315 HG13 ILE 60 HG13 ILE 60 8.670 17.584 -13.077 316 HG21 ILE 60 HG21 ILE 60 5.622 19.344 -15.525 317 HG22 ILE 60 HG22 ILE 60 7.248 19.013 -16.142 318 HG23 ILE 60 HG23 ILE 60 6.116 17.680 -15.806 319 HD11 ILE 60 HD11 ILE 60 6.798 15.785 -14.646 320 HD12 ILE 60 HD12 ILE 60 8.052 15.351 -13.454 321 HD13 ILE 60 HD13 ILE 60 6.571 16.162 -12.930 322 H MET 61 H MET 61 5.444 20.502 -12.140 323 HA MET 61 HA MET 61 4.034 22.168 -13.954 324 HB2 MET 61 HB2 MET 61 3.198 20.917 -11.906 325 HB3 MET 61 HB3 MET 61 3.895 22.196 -10.914 326 HG2 MET 61 HG2 MET 61 1.546 22.586 -11.181 327 HG3 MET 61 HG3 MET 61 2.403 23.848 -12.053 328 HE1 MET 61 HE1 MET 61 2.523 23.960 -14.767 329 HE2 MET 61 HE2 MET 61 0.891 23.797 -15.445 330 HE3 MET 61 HE3 MET 61 1.147 24.742 -13.961 331 H VAL 62 H VAL 62 6.396 23.050 -11.449 332 HA VAL 62 HA VAL 62 6.169 25.913 -11.839 333 HB VAL 62 HB VAL 62 8.098 24.210 -10.468 334 HG11 VAL 62 HG11 VAL 62 9.349 26.255 -10.932 335 HG12 VAL 62 HG12 VAL 62 7.985 27.239 -10.339 336 HG13 VAL 62 HG13 VAL 62 8.910 26.201 -9.226 337 HG21 VAL 62 HG21 VAL 62 5.937 26.038 -9.425 338 HG22 VAL 62 HG22 VAL 62 5.813 24.281 -9.598 339 HG23 VAL 62 HG23 VAL 62 6.976 24.954 -8.446 340 H LYS 63 H LYS 63 8.493 23.496 -12.735 341 HA LYS 63 HA LYS 63 10.185 25.225 -14.360 342 HB2 LYS 63 HB2 LYS 63 10.004 22.200 -14.175 343 HB3 LYS 63 HB3 LYS 63 11.264 23.087 -15.035 344 HG2 LYS 63 HG2 LYS 63 10.809 23.242 -12.036 345 HG3 LYS 63 HG3 LYS 63 12.013 22.268 -12.873 346 HD2 LYS 63 HD2 LYS 63 12.816 24.590 -13.863 347 HD3 LYS 63 HD3 LYS 63 11.873 25.260 -12.517 348 HE2 LYS 63 HE2 LYS 63 13.820 24.943 -11.342 349 HE3 LYS 63 HE3 LYS 63 13.157 23.313 -11.160 350 HZ1 LYS 63 HZ1 LYS 63 15.416 23.106 -11.970 351 HZ2 LYS 63 HZ2 LYS 63 14.494 22.780 -13.297 352 HZ3 LYS 63 HZ3 LYS 63 15.204 24.226 -13.130 353 H GLN 64 H GLN 64 7.189 23.766 -15.087 354 HA GLN 64 HA GLN 64 6.044 23.061 -16.773 355 HB2 GLN 64 HB2 GLN 64 5.661 24.612 -18.640 356 HB3 GLN 64 HB3 GLN 64 5.419 25.271 -17.029 357 HG2 GLN 64 HG2 GLN 64 8.141 25.597 -18.086 358 HG3 GLN 64 HG3 GLN 64 6.924 26.445 -19.040 359 HE21 GLN 64 HE22 GLN 64 9.043 26.870 -16.466 360 HE22 GLN 64 HE21 GLN 64 8.141 28.065 -15.559 361 H LEU 65 H LEU 65 7.565 21.272 -16.753 362 HA LEU 65 HA LEU 65 9.248 21.099 -19.175 363 HB2 LEU 65 HB2 LEU 65 9.300 19.311 -16.714 364 HB3 LEU 65 HB3 LEU 65 10.284 19.102 -18.143 365 HG LEU 65 HG LEU 65 10.417 21.413 -16.215 366 HD11 LEU 65 HD11 LEU 65 12.548 20.521 -15.581 367 HD12 LEU 65 HD12 LEU 65 11.296 19.276 -15.380 368 HD13 LEU 65 HD13 LEU 65 12.412 19.208 -16.757 369 HD21 LEU 65 HD21 LEU 65 12.102 20.849 -18.692 370 HD22 LEU 65 HD22 LEU 65 11.038 22.253 -18.433 371 HD23 LEU 65 HD23 LEU 65 12.492 22.062 -17.451 372 H TYR 66 H TYR 66 6.477 21.119 -19.471 373 HA TYR 66 HA TYR 66 6.090 18.340 -20.440 374 HB2 TYR 66 HB2 TYR 66 3.614 18.734 -20.259 375 HB3 TYR 66 HB3 TYR 66 4.511 18.534 -18.769 376 HD1 TYR 66 HD2 TYR 66 3.134 21.198 -21.046 377 HD2 TYR 66 HD1 TYR 66 4.413 20.100 -17.111 378 HE1 TYR 66 HE2 TYR 66 2.362 23.413 -20.214 379 HE2 TYR 66 HE1 TYR 66 3.622 22.334 -16.227 380 HH TYR 66 HH TYR 66 2.159 24.801 -18.385 381 H ASP 67 H ASP 67 4.498 18.135 -22.286 382 HA ASP 67 HA ASP 67 5.316 19.811 -24.513 383 HB2 ASP 67 HB2 ASP 67 4.660 17.317 -24.521 384 HB3 ASP 67 HB3 ASP 67 2.992 17.880 -24.465 385 H GLN 68 H GLN 68 4.279 21.513 -25.448 386 HA GLN 68 HA GLN 68 2.304 23.121 -24.360 387 HB2 GLN 68 HB2 GLN 68 1.853 23.786 -26.681 388 HB3 GLN 68 HB3 GLN 68 3.451 24.164 -25.981 389 HG2 GLN 68 HG2 GLN 68 2.814 21.809 -27.668 390 HG3 GLN 68 HG3 GLN 68 3.187 23.367 -28.412 391 HE21 GLN 68 HE22 GLN 68 4.455 20.422 -27.365 392 HE22 GLN 68 HE21 GLN 68 6.173 20.877 -27.417 393 H GLN 69 H GLN 69 1.855 20.583 -26.690 394 HA GLN 69 HA GLN 69 -1.046 20.898 -26.808 395 HB2 GLN 69 HB2 GLN 69 0.957 19.166 -28.272 396 HB3 GLN 69 HB3 GLN 69 -0.779 19.025 -28.531 397 HG2 GLN 69 HG2 GLN 69 -0.987 21.243 -29.373 398 HG3 GLN 69 HG3 GLN 69 0.606 21.721 -28.796 399 HE21 GLN 69 HE22 GLN 69 2.535 20.733 -29.845 400 HE22 GLN 69 HE21 GLN 69 2.388 20.244 -31.529 401 H GLU 70 H GLU 70 1.110 19.010 -24.966 402 HA GLU 70 HA GLU 70 -1.089 17.279 -23.926 403 HB2 GLU 70 HB2 GLU 70 1.482 16.179 -25.133 404 HB3 GLU 70 HB3 GLU 70 0.455 15.296 -24.005 405 HG2 GLU 70 HG2 GLU 70 -1.485 15.677 -25.608 406 HG3 GLU 70 HG3 GLU 70 -0.290 16.241 -26.784 407 H GLN 71 H GLN 71 -0.948 18.641 -22.077 408 HA GLN 71 HA GLN 71 1.310 19.199 -20.545 409 HB2 GLN 71 HB2 GLN 71 -1.657 18.921 -20.046 410 HB3 GLN 71 HB3 GLN 71 -0.578 19.196 -18.673 411 HG2 GLN 71 HG2 GLN 71 -1.338 21.315 -19.312 412 HG3 GLN 71 HG3 GLN 71 0.340 21.231 -19.821 413 HE21 GLN 71 HE22 GLN 71 0.704 20.847 -22.310 414 HE22 GLN 71 HE21 GLN 71 -0.520 21.591 -23.312 415 H HIS 72 H HIS 72 -0.490 16.144 -20.551 416 HA HIS 72 HA HIS 72 0.814 15.076 -18.177 417 HB2 HIS 72 HB2 HIS 72 -0.502 13.021 -18.940 418 HB3 HIS 72 HB3 HIS 72 -1.463 14.463 -18.648 419 HD2 HIS 72 HD2 HIS 72 -0.029 12.302 -21.437 420 HE1 HIS 72 HE1 HIS 72 -2.553 15.189 -23.350 421 HE2 HIS 72 HE2 HIS 72 -1.067 13.148 -23.769 422 H MET 73 H MET 73 1.996 15.531 -21.312 423 HA MET 73 HA MET 73 3.879 13.218 -21.172 424 HB2 MET 73 HB2 MET 73 3.348 15.219 -23.405 425 HB3 MET 73 HB3 MET 73 4.571 13.959 -23.438 426 HG2 MET 73 HG2 MET 73 1.571 13.526 -23.246 427 HG3 MET 73 HG3 MET 73 2.543 13.346 -24.698 428 HE1 MET 73 HE1 MET 73 4.324 11.432 -25.090 429 HE2 MET 73 HE2 MET 73 5.179 11.727 -23.556 430 HE3 MET 73 HE3 MET 73 4.620 10.093 -23.961 431 H VAL 74 H VAL 74 5.872 13.578 -20.386 432 HA VAL 74 HA VAL 74 6.560 16.381 -19.595 433 HB VAL 74 HB VAL 74 7.556 13.788 -18.361 434 HG11 VAL 74 HG11 VAL 74 7.475 16.660 -17.342 435 HG12 VAL 74 HG12 VAL 74 8.177 15.272 -16.505 436 HG13 VAL 74 HG13 VAL 74 8.910 15.860 -17.995 437 HG21 VAL 74 HG21 VAL 74 5.218 15.568 -17.508 438 HG22 VAL 74 HG22 VAL 74 5.125 13.857 -17.987 439 HG23 VAL 74 HG23 VAL 74 5.956 14.303 -16.499 440 H TYR 75 H TYR 75 8.469 17.211 -20.202 441 HA TYR 75 HA TYR 75 10.509 15.680 -21.744 442 HB2 TYR 75 HB2 TYR 75 9.057 18.224 -22.496 443 HB3 TYR 75 HB3 TYR 75 10.631 17.791 -23.169 444 HD1 TYR 75 HD2 TYR 75 10.962 15.523 -24.225 445 HD2 TYR 75 HD1 TYR 75 7.053 17.149 -23.390 446 HE1 TYR 75 HE2 TYR 75 9.945 13.838 -25.722 447 HE2 TYR 75 HE1 TYR 75 6.037 15.482 -24.938 448 HH TYR 75 HH TYR 75 6.409 13.714 -26.373 449 H CYS 76 H CYS 76 11.897 15.636 -19.989 450 HA CYS 76 HA CYS 76 12.702 18.113 -18.588 451 HB2 CYS 76 HB2 CYS 76 13.250 15.182 -17.967 452 HB3 CYS 76 HB3 CYS 76 13.797 16.561 -16.993 453 HG CYS 76 HG CYS 76 10.704 15.719 -17.767 454 H GLY 77 H GLY 77 13.746 16.879 -21.384 455 HA2 GLY 77 HA2 GLY 77 16.515 16.459 -21.182 456 HA3 GLY 77 HA3 GLY 77 15.713 17.175 -22.581 457 H GLY 78 H GLY 78 18.111 17.678 -20.423 458 HA2 GLY 78 HA2 GLY 78 19.533 19.536 -20.318 459 HA3 GLY 78 HA3 GLY 78 18.252 20.592 -20.895 460 H ASP 79 H ASP 79 16.835 18.852 -18.343 461 HA ASP 79 HA ASP 79 17.833 20.822 -16.323 462 HB2 ASP 79 HB2 ASP 79 15.203 20.443 -16.976 463 HB3 ASP 79 HB3 ASP 79 15.366 19.310 -15.662 464 H LEU 80 H LEU 80 17.796 20.090 -14.064 465 HA LEU 80 HA LEU 80 19.553 17.895 -13.663 466 HB2 LEU 80 HB2 LEU 80 18.901 19.948 -12.100 467 HB3 LEU 80 HB3 LEU 80 17.633 18.833 -11.529 468 HG LEU 80 HG LEU 80 19.333 17.227 -10.779 469 HD11 LEU 80 HD11 LEU 80 21.740 17.905 -10.686 470 HD12 LEU 80 HD12 LEU 80 21.183 17.584 -12.321 471 HD13 LEU 80 HD13 LEU 80 21.372 19.263 -11.773 472 HD21 LEU 80 HD21 LEU 80 18.602 19.102 -9.271 473 HD22 LEU 80 HD22 LEU 80 20.256 18.552 -8.945 474 HD23 LEU 80 HD23 LEU 80 19.978 20.060 -9.841 475 H LEU 81 H LEU 81 15.971 18.102 -13.101 476 HA LEU 81 HA LEU 81 15.623 15.506 -12.296 477 HB2 LEU 81 HB2 LEU 81 13.812 17.054 -12.212 478 HB3 LEU 81 HB3 LEU 81 13.831 17.299 -13.961 479 HG LEU 81 HG LEU 81 12.890 15.092 -14.357 480 HD11 LEU 81 HD11 LEU 81 13.828 13.758 -12.505 481 HD12 LEU 81 HD12 LEU 81 12.921 14.730 -11.341 482 HD13 LEU 81 HD13 LEU 81 12.068 13.677 -12.488 483 HD21 LEU 81 HD21 LEU 81 11.372 16.992 -13.860 484 HD22 LEU 81 HD22 LEU 81 10.685 15.443 -13.355 485 HD23 LEU 81 HD23 LEU 81 11.378 16.543 -12.141 486 H GLY 82 H GLY 82 15.942 16.602 -15.714 487 HA2 GLY 82 HA2 GLY 82 15.408 14.031 -16.941 488 HA3 GLY 82 HA3 GLY 82 16.258 15.402 -17.671 489 H GLU 83 H GLU 83 18.466 15.711 -16.007 490 HA GLU 83 HA GLU 83 20.194 13.600 -16.887 491 HB2 GLU 83 HB2 GLU 83 21.724 15.103 -16.482 492 HB3 GLU 83 HB3 GLU 83 20.480 16.179 -15.858 493 HG2 GLU 83 HG2 GLU 83 20.928 15.488 -13.578 494 HG3 GLU 83 HG3 GLU 83 22.039 14.229 -14.128 495 H LEU 84 H LEU 84 18.573 14.136 -13.825 496 HA LEU 84 HA LEU 84 19.719 12.004 -12.324 497 HB2 LEU 84 HB2 LEU 84 18.597 13.957 -11.398 498 HB3 LEU 84 HB3 LEU 84 17.075 13.507 -12.136 499 HG LEU 84 HG LEU 84 17.177 13.170 -9.761 500 HD11 LEU 84 HD11 LEU 84 15.675 11.761 -11.177 501 HD12 LEU 84 HD12 LEU 84 16.843 10.432 -10.972 502 HD13 LEU 84 HD13 LEU 84 16.047 11.135 -9.563 503 HD21 LEU 84 HD21 LEU 84 18.496 11.442 -8.710 504 HD22 LEU 84 HD22 LEU 84 19.153 10.911 -10.267 505 HD23 LEU 84 HD23 LEU 84 19.578 12.511 -9.611 506 H LEU 85 H LEU 85 16.540 12.181 -13.905 507 HA LEU 85 HA LEU 85 15.745 9.469 -13.893 508 HB2 LEU 85 HB2 LEU 85 15.144 11.879 -15.531 509 HB3 LEU 85 HB3 LEU 85 15.023 10.430 -16.459 510 HG LEU 85 HG LEU 85 13.631 10.739 -13.781 511 HD11 LEU 85 HD11 LEU 85 11.618 11.206 -15.138 512 HD12 LEU 85 HD12 LEU 85 12.848 12.466 -15.319 513 HD13 LEU 85 HD13 LEU 85 12.626 11.257 -16.605 514 HD21 LEU 85 HD21 LEU 85 13.215 8.836 -16.137 515 HD22 LEU 85 HD22 LEU 85 13.897 8.387 -14.558 516 HD23 LEU 85 HD23 LEU 85 12.211 8.892 -14.684 517 H GLY 86 H GLY 86 18.106 11.062 -16.046 518 HA2 GLY 86 HA2 GLY 86 19.811 10.117 -17.337 519 HA3 GLY 86 HA3 GLY 86 19.200 8.490 -17.013 520 H ARG 87 H ARG 87 16.799 10.709 -17.970 521 HA ARG 87 HA ARG 87 16.879 10.290 -20.866 522 HB2 ARG 87 HB2 ARG 87 14.690 9.181 -20.994 523 HB3 ARG 87 HB3 ARG 87 15.928 8.184 -20.232 524 HG2 ARG 87 HG2 ARG 87 15.007 8.793 -17.992 525 HG3 ARG 87 HG3 ARG 87 13.690 9.669 -18.780 526 HD2 ARG 87 HD2 ARG 87 14.330 6.713 -19.176 527 HD3 ARG 87 HD3 ARG 87 13.144 7.344 -18.024 528 HE ARG 87 HE ARG 87 12.123 8.482 -20.155 529 HH11 ARG 87 HH11 ARG 87 13.316 5.173 -20.112 530 HH12 ARG 87 HH12 ARG 87 12.258 4.710 -21.417 531 HH21 ARG 87 HH21 ARG 87 10.902 7.872 -21.762 532 HH22 ARG 87 HH22 ARG 87 10.894 6.220 -22.344 533 H GLN 88 H GLN 88 15.788 11.703 -21.968 534 HA GLN 88 HA GLN 88 14.999 14.197 -20.702 535 HB2 GLN 88 HB2 GLN 88 14.643 14.932 -22.977 536 HB3 GLN 88 HB3 GLN 88 16.167 14.040 -22.859 537 HG2 GLN 88 HG2 GLN 88 15.028 12.046 -23.887 538 HG3 GLN 88 HG3 GLN 88 13.551 13.000 -24.045 539 HE21 GLN 88 HE22 GLN 88 13.650 14.973 -25.498 540 HE22 GLN 88 HE21 GLN 88 14.818 14.944 -26.810 541 H SER 89 H SER 89 13.128 11.386 -21.411 542 HA SER 89 HA SER 89 10.686 12.940 -20.738 543 HB2 SER 89 HB2 SER 89 9.484 12.296 -22.816 544 HB3 SER 89 HB3 SER 89 10.909 13.287 -23.156 545 HG SER 89 HG SER 89 10.724 11.421 -24.551 546 H PHE 90 H PHE 90 8.814 11.975 -20.396 547 HA PHE 90 HA PHE 90 8.252 9.151 -20.357 548 HB2 PHE 90 HB2 PHE 90 8.075 8.853 -17.963 549 HB3 PHE 90 HB3 PHE 90 9.726 9.272 -18.359 550 HD1 PHE 90 HD1 PHE 90 10.606 11.594 -17.863 551 HD2 PHE 90 HD2 PHE 90 6.718 10.265 -16.538 552 HE1 PHE 90 HE1 PHE 90 10.521 13.453 -16.262 553 HE2 PHE 90 HE2 PHE 90 6.625 12.127 -14.924 554 HZ PHE 90 HZ PHE 90 8.588 13.660 -14.669 555 H SER 91 H SER 91 5.963 9.055 -18.905 556 HA SER 91 HA SER 91 4.525 11.656 -19.207 557 HB2 SER 91 HB2 SER 91 2.744 10.707 -20.327 558 HB3 SER 91 HB3 SER 91 4.165 10.055 -21.158 559 HG SER 91 HG SER 91 2.832 8.331 -20.790 560 H VAL 92 H VAL 92 2.606 11.821 -18.066 561 HA VAL 92 HA VAL 92 2.401 10.937 -15.351 562 HB VAL 92 HB VAL 92 0.600 12.064 -17.462 563 HG11 VAL 92 HG11 VAL 92 -1.005 10.902 -16.114 564 HG12 VAL 92 HG12 VAL 92 -0.374 11.694 -14.639 565 HG13 VAL 92 HG13 VAL 92 -1.147 12.636 -15.945 566 HG21 VAL 92 HG21 VAL 92 0.680 14.117 -16.112 567 HG22 VAL 92 HG22 VAL 92 1.714 13.294 -14.926 568 HG23 VAL 92 HG23 VAL 92 2.296 13.579 -16.584 569 H LYS 93 H LYS 93 1.378 9.492 -18.389 570 HA LYS 93 HA LYS 93 -0.509 7.583 -17.152 571 HB2 LYS 93 HB2 LYS 93 0.222 8.233 -20.037 572 HB3 LYS 93 HB3 LYS 93 -1.001 7.047 -19.557 573 HG2 LYS 93 HG2 LYS 93 -2.363 8.736 -18.487 574 HG3 LYS 93 HG3 LYS 93 -1.112 9.968 -18.667 575 HD2 LYS 93 HD2 LYS 93 -1.333 9.889 -21.121 576 HD3 LYS 93 HD3 LYS 93 -2.635 8.685 -20.966 577 HE2 LYS 93 HE2 LYS 93 -4.014 10.249 -19.696 578 HE3 LYS 93 HE3 LYS 93 -2.697 11.419 -19.598 579 HZ1 LYS 93 HZ1 LYS 93 -4.301 12.020 -21.324 580 HZ2 LYS 93 HZ2 LYS 93 -2.853 11.736 -22.007 581 HZ3 LYS 93 HZ3 LYS 93 -4.052 10.619 -22.125 582 H ASP 94 H ASP 94 2.771 7.594 -18.249 583 HA ASP 94 HA ASP 94 3.042 4.792 -17.296 584 HB2 ASP 94 HB2 ASP 94 3.083 4.705 -19.732 585 HB3 ASP 94 HB3 ASP 94 4.361 5.922 -19.781 586 HA PRO 95 HA PRO 95 5.877 7.765 -15.125 587 HB2 PRO 95 HB2 PRO 95 5.199 7.239 -12.548 588 HB3 PRO 95 HB3 PRO 95 4.164 8.234 -13.617 589 HG2 PRO 95 HG2 PRO 95 3.906 5.263 -13.010 590 HG3 PRO 95 HG3 PRO 95 2.635 6.522 -12.894 591 HD2 PRO 95 HD2 PRO 95 2.907 4.953 -15.102 592 HD3 PRO 95 HD3 PRO 95 2.429 6.671 -15.231 593 H SER 96 H SER 96 5.780 4.458 -15.486 594 HA SER 96 HA SER 96 7.179 3.104 -13.685 595 HB2 SER 96 HB2 SER 96 7.726 2.897 -16.668 596 HB3 SER 96 HB3 SER 96 8.003 1.643 -15.449 597 HG SER 96 HG SER 96 5.670 2.486 -16.671 598 HA PRO 97 HA PRO 97 11.618 4.102 -15.077 599 HB2 PRO 97 HB2 PRO 97 12.281 6.501 -16.210 600 HB3 PRO 97 HB3 PRO 97 11.836 5.043 -17.149 601 HG2 PRO 97 HG2 PRO 97 10.038 7.358 -16.347 602 HG3 PRO 97 HG3 PRO 97 10.236 6.621 -17.973 603 HD2 PRO 97 HD2 PRO 97 8.201 5.911 -16.397 604 HD3 PRO 97 HD3 PRO 97 9.071 4.660 -17.324 605 H LEU 98 H LEU 98 9.514 6.613 -13.701 606 HA LEU 98 HA LEU 98 11.518 7.911 -12.071 607 HB2 LEU 98 HB2 LEU 98 8.524 7.490 -11.535 608 HB3 LEU 98 HB3 LEU 98 9.541 8.727 -10.847 609 HG LEU 98 HG LEU 98 8.834 8.579 -13.813 610 HD11 LEU 98 HD11 LEU 98 7.594 10.248 -11.586 611 HD12 LEU 98 HD12 LEU 98 7.207 10.331 -13.323 612 HD13 LEU 98 HD13 LEU 98 6.826 8.874 -12.403 613 HD21 LEU 98 HD21 LEU 98 9.611 10.855 -13.880 614 HD22 LEU 98 HD22 LEU 98 9.885 10.870 -12.128 615 HD23 LEU 98 HD23 LEU 98 10.901 9.864 -13.168 616 H TYR 99 H TYR 99 9.095 5.319 -11.491 617 HA TYR 99 HA TYR 99 9.927 4.785 -8.814 618 HB2 TYR 99 HB2 TYR 99 8.339 3.195 -10.872 619 HB3 TYR 99 HB3 TYR 99 8.621 2.621 -9.238 620 HD1 TYR 99 HD1 TYR 99 7.088 5.516 -11.154 621 HD2 TYR 99 HD2 TYR 99 7.311 3.338 -7.418 622 HE1 TYR 99 HE1 TYR 99 5.154 6.802 -10.266 623 HE2 TYR 99 HE2 TYR 99 5.365 4.621 -6.559 624 HH TYR 99 HH TYR 99 3.775 6.221 -7.014 625 H ASP 100 H ASP 100 11.144 3.683 -11.914 626 HA ASP 100 HA ASP 100 12.843 1.546 -10.937 627 HB2 ASP 100 HB2 ASP 100 12.020 1.997 -13.321 628 HB3 ASP 100 HB3 ASP 100 13.258 3.226 -13.398 629 H MET 101 H MET 101 13.326 5.013 -11.622 630 HA MET 101 HA MET 101 16.091 5.054 -10.806 631 HB2 MET 101 HB2 MET 101 16.124 7.221 -11.389 632 HB3 MET 101 HB3 MET 101 14.606 6.822 -12.178 633 HG2 MET 101 HG2 MET 101 13.582 7.490 -9.844 634 HG3 MET 101 HG3 MET 101 15.108 8.313 -9.599 635 HE1 MET 101 HE1 MET 101 11.804 9.027 -9.815 636 HE2 MET 101 HE2 MET 101 12.975 10.153 -9.089 637 HE3 MET 101 HE3 MET 101 11.912 10.705 -10.402 638 H LEU 102 H LEU 102 13.081 5.163 -8.889 639 HA LEU 102 HA LEU 102 14.464 6.140 -6.493 640 HB2 LEU 102 HB2 LEU 102 11.645 5.048 -6.919 641 HB3 LEU 102 HB3 LEU 102 12.281 5.655 -5.397 642 HG LEU 102 HG LEU 102 11.742 7.272 -7.904 643 HD11 LEU 102 HD11 LEU 102 10.087 8.400 -6.501 644 HD12 LEU 102 HD12 LEU 102 9.764 6.661 -6.571 645 HD13 LEU 102 HD13 LEU 102 10.521 7.363 -5.121 646 HD21 LEU 102 HD21 LEU 102 12.321 9.267 -6.519 647 HD22 LEU 102 HD22 LEU 102 13.018 8.173 -5.301 648 HD23 LEU 102 HD23 LEU 102 13.699 8.252 -6.948 649 H ARG 103 H ARG 103 13.071 2.982 -7.658 650 HA ARG 103 HA ARG 103 13.261 1.727 -5.271 651 HB2 ARG 103 HB2 ARG 103 12.809 -0.275 -6.413 652 HB3 ARG 103 HB3 ARG 103 12.110 1.063 -7.320 653 HG2 ARG 103 HG2 ARG 103 12.892 -0.245 -9.021 654 HG3 ARG 103 HG3 ARG 103 14.186 0.924 -8.831 655 HD2 ARG 103 HD2 ARG 103 15.119 -1.271 -9.174 656 HD3 ARG 103 HD3 ARG 103 15.487 -0.740 -7.532 657 HE ARG 103 HE ARG 103 13.049 -2.383 -7.849 658 HH11 ARG 103 HH11 ARG 103 16.481 -2.587 -7.124 659 HH12 ARG 103 HH12 ARG 103 16.294 -4.101 -6.285 660 HH21 ARG 103 HH21 ARG 103 12.897 -4.306 -6.770 661 HH22 ARG 103 HH22 ARG 103 14.322 -5.053 -6.111 662 H LYS 104 H LYS 104 15.984 2.092 -7.336 663 HA LYS 104 HA LYS 104 17.755 0.488 -5.586 664 HB2 LYS 104 HB2 LYS 104 19.433 1.172 -7.458 665 HB3 LYS 104 HB3 LYS 104 18.313 -0.161 -7.640 666 HG2 LYS 104 HG2 LYS 104 18.550 1.136 -9.689 667 HG3 LYS 104 HG3 LYS 104 16.904 1.128 -9.102 668 HD2 LYS 104 HD2 LYS 104 17.468 3.335 -9.934 669 HD3 LYS 104 HD3 LYS 104 17.178 3.403 -8.197 670 HE2 LYS 104 HE2 LYS 104 18.963 4.851 -8.779 671 HE3 LYS 104 HE3 LYS 104 19.573 3.558 -7.749 672 HZ1 LYS 104 HZ1 LYS 104 21.052 4.012 -9.659 673 HZ2 LYS 104 HZ2 LYS 104 20.494 2.486 -9.773 674 HZ3 LYS 104 HZ3 LYS 104 19.874 3.663 -10.727 675 H ASN 105 H ASN 105 16.948 3.773 -5.713 676 HA ASN 105 HA ASN 105 19.499 4.544 -4.283 677 HB2 ASN 105 HB2 ASN 105 17.682 6.022 -6.151 678 HB3 ASN 105 HB3 ASN 105 18.330 6.916 -4.775 679 HD21 ASN 105 HD22 ASN 105 20.850 6.209 -4.367 680 HD22 ASN 105 HD21 ASN 105 21.790 6.249 -5.843 681 H LEU 106 H LEU 106 15.965 4.588 -4.167 682 HA LEU 106 HA LEU 106 16.011 5.312 -1.269 683 HB2 LEU 106 HB2 LEU 106 15.262 7.190 -2.539 684 HB3 LEU 106 HB3 LEU 106 14.265 6.179 -3.590 685 HG LEU 106 HG LEU 106 12.744 5.683 -1.719 686 HD11 LEU 106 HD11 LEU 106 14.374 7.778 -0.191 687 HD12 LEU 106 HD12 LEU 106 12.843 7.062 0.347 688 HD13 LEU 106 HD13 LEU 106 14.287 6.054 0.230 689 HD21 LEU 106 HD21 LEU 106 12.206 7.471 -3.220 690 HD22 LEU 106 HD22 LEU 106 11.688 7.861 -1.571 691 HD23 LEU 106 HD23 LEU 106 13.136 8.635 -2.247 692 H VAL 107 H VAL 107 15.219 3.863 -0.015 693 HA VAL 107 HA VAL 107 12.847 2.248 -0.784 694 HB VAL 107 HB VAL 107 15.214 1.104 0.767 695 HG11 VAL 107 HG11 VAL 107 13.928 -1.017 0.676 696 HG12 VAL 107 HG12 VAL 107 13.054 0.216 1.582 697 HG13 VAL 107 HG13 VAL 107 12.569 -0.166 -0.087 698 HG21 VAL 107 HG21 VAL 107 15.401 -0.502 -1.120 699 HG22 VAL 107 HG22 VAL 107 14.165 0.413 -2.012 700 HG23 VAL 107 HG23 VAL 107 15.735 1.153 -1.632 701 H THR 108 H THR 108 11.249 2.536 0.740 702 HA THR 108 HA THR 108 12.006 4.026 3.223 703 HB THR 108 HB THR 108 11.005 5.332 1.432 704 HG1 THR 108 HG1 THR 108 10.131 6.617 2.805 705 HG21 THR 108 HG21 THR 108 8.374 4.096 2.329 706 HG22 THR 108 HG22 THR 108 8.617 5.373 1.120 707 HG23 THR 108 HG23 THR 108 9.159 3.726 0.774 708 H LEU 109 H LEU 109 10.136 4.150 4.767 709 HA LEU 109 HA LEU 109 9.692 1.395 5.759 710 HB2 LEU 109 HB2 LEU 109 9.297 4.130 6.947 711 HB3 LEU 109 HB3 LEU 109 8.347 2.781 7.553 712 HG LEU 109 HG LEU 109 10.473 1.467 7.897 713 HD11 LEU 109 HD11 LEU 109 12.580 2.728 8.126 714 HD12 LEU 109 HD12 LEU 109 12.021 2.748 6.453 715 HD13 LEU 109 HD13 LEU 109 11.793 4.185 7.487 716 HD21 LEU 109 HD21 LEU 109 11.030 2.628 9.983 717 HD22 LEU 109 HD22 LEU 109 10.172 4.082 9.413 718 HD23 LEU 109 HD23 LEU 109 9.279 2.573 9.716 719 H ALA 110 H ALA 110 8.012 0.165 5.339 720 HA ALA 110 HA ALA 110 5.307 1.207 4.862 721 HB1 ALA 110 HB1 ALA 110 6.396 1.372 2.631 722 HB2 ALA 110 HB2 ALA 110 6.860 -0.341 2.728 723 HB3 ALA 110 HB3 ALA 110 5.145 0.117 2.637 724 H THR 111 H THR 111 3.728 -0.591 4.582 725 HA THR 111 HA THR 111 4.538 -3.216 5.732 726 HB THR 111 HB THR 111 3.782 -1.738 7.543 727 HG1 THR 111 HG1 THR 111 2.404 -3.297 8.397 728 HG21 THR 111 HG21 THR 111 2.062 -0.387 6.368 729 HG22 THR 111 HG22 THR 111 1.028 -1.827 6.232 730 HG23 THR 111 HG23 THR 111 1.431 -1.160 7.826 731 HD1 48M 200 HD1 48M 200 2.353 14.794 -13.126 732 HD2 48M 200 HD2 48M 200 3.092 13.279 -9.157 733 HD3 48M 200 HD3 48M 200 1.346 12.008 -12.900 734 HD4 48M 200 HD4 48M 200 0.023 11.326 -8.863 735 HD5 48M 200 HD5 48M 200 -2.398 13.913 -13.821 736 HE1 48M 200 HE1 48M 200 4.668 14.215 -13.770 737 HE2 48M 200 HE2 48M 200 5.390 12.687 -9.828 738 HE3 48M 200 HE3 48M 200 2.116 9.660 -13.044 739 HE5 48M 200 HE5 48M 200 -3.278 14.745 -15.942 740 HE6 48M 200 HE6 48M 200 -0.252 17.771 -16.052 741 HZ2 48M 200 HZ2 48M 200 1.820 8.135 -11.104 742 HM21 48M 200 HM21 48M 200 1.956 16.341 -16.285 743 HM22 48M 200 HM22 48M 200 3.417 17.325 -16.184 744 HM23 48M 200 HM23 48M 200 3.187 15.965 -15.074 745 HM31 48M 200 HM31 48M 200 2.480 18.869 -12.826 746 HM32 48M 200 HM32 48M 200 3.528 17.470 -13.089 747 HM33 48M 200 HM33 48M 200 3.717 18.927 -14.085 748 HN1 48M 200 HN1 48M 200 -3.097 20.240 -10.133 749 H21 48M 200 H21 48M 200 -2.558 17.769 -9.397 750 H22 48M 200 H22 48M 200 -3.735 18.010 -10.702 751 H31 48M 200 H31 48M 200 -1.976 16.304 -11.156 752 H32 48M 200 H32 48M 200 -2.070 17.571 -12.398 753 H41 48M 200 H41 48M 200 0.259 19.475 -12.136 754 H42 48M 200 H42 48M 200 0.743 19.352 -10.432 755 H7 48M 200 H7 48M 200 -0.583 13.332 -9.928 756 H8 48M 200 H8 48M 200 1.153 14.714 -9.600 757 H9 48M 200 H9 48M 200 1.508 18.559 -15.121 Start of MODEL 3 1 H1 GLN 23 H GLN 23 8.795 15.240 12.447 2 HA GLN 23 HA GLN 23 10.006 15.153 10.431 3 HB2 GLN 23 HB2 GLN 23 11.585 13.430 12.391 4 HB3 GLN 23 HB3 GLN 23 12.265 14.238 10.970 5 HG2 GLN 23 HG2 GLN 23 11.600 16.446 11.900 6 HG3 GLN 23 HG3 GLN 23 10.997 15.649 13.355 7 HE21 GLN 23 HE22 GLN 23 12.764 17.488 13.980 8 HE22 GLN 23 HE21 GLN 23 14.352 16.800 14.294 9 H ILE 24 H ILE 24 8.053 12.982 10.588 10 HA ILE 24 HA ILE 24 7.233 11.159 9.581 11 HB ILE 24 HB ILE 24 9.229 12.032 7.544 12 HG12 ILE 24 HG12 ILE 24 6.233 12.438 7.313 13 HG13 ILE 24 HG13 ILE 24 7.182 13.547 8.299 14 HG21 ILE 24 HG21 ILE 24 7.782 10.860 5.805 15 HG22 ILE 24 HG22 ILE 24 8.694 9.792 6.851 16 HG23 ILE 24 HG23 ILE 24 6.951 10.045 7.136 17 HD11 ILE 24 HD11 ILE 24 8.597 14.103 6.341 18 HD12 ILE 24 HD12 ILE 24 7.563 13.068 5.324 19 HD13 ILE 24 HD13 ILE 24 6.884 14.500 6.111 20 H ASN 25 H ASN 25 7.371 8.973 9.035 21 HA ASN 25 HA ASN 25 9.751 7.675 10.225 22 HB2 ASN 25 HB2 ASN 25 6.955 6.524 9.961 23 HB3 ASN 25 HB3 ASN 25 8.274 5.943 10.978 24 HD21 ASN 25 HD22 ASN 25 9.118 8.069 12.460 25 HD22 ASN 25 HD21 ASN 25 7.767 8.810 13.300 26 H GLN 26 H GLN 26 10.195 8.385 7.765 27 HA GLN 26 HA GLN 26 10.263 5.944 6.143 28 HB2 GLN 26 HB2 GLN 26 8.260 7.624 5.592 29 HB3 GLN 26 HB3 GLN 26 9.527 8.325 4.584 30 HG2 GLN 26 HG2 GLN 26 8.402 6.598 3.290 31 HG3 GLN 26 HG3 GLN 26 9.969 5.967 3.667 32 HE21 GLN 26 HE22 GLN 26 9.983 3.832 4.493 33 HE22 GLN 26 HE21 GLN 26 8.593 3.123 5.294 34 H VAL 27 H VAL 27 11.534 6.824 3.882 35 HA VAL 27 HA VAL 27 14.220 7.344 5.056 36 HB VAL 27 HB VAL 27 13.300 5.734 2.638 37 HG11 VAL 27 HG11 VAL 27 16.134 5.976 3.754 38 HG12 VAL 27 HG12 VAL 27 15.603 4.780 2.561 39 HG13 VAL 27 HG13 VAL 27 15.584 6.479 2.130 40 HG21 VAL 27 HG21 VAL 27 14.450 4.837 5.317 41 HG22 VAL 27 HG22 VAL 27 12.769 4.628 4.781 42 HG23 VAL 27 HG23 VAL 27 14.059 3.770 3.951 43 H ARG 28 H ARG 28 15.869 8.273 3.918 44 HA ARG 28 HA ARG 28 15.092 10.650 2.372 45 HB2 ARG 28 HB2 ARG 28 16.347 10.955 4.401 46 HB3 ARG 28 HB3 ARG 28 17.619 9.860 3.860 47 HG2 ARG 28 HG2 ARG 28 18.376 11.414 2.191 48 HG3 ARG 28 HG3 ARG 28 16.932 12.416 2.363 49 HD2 ARG 28 HD2 ARG 28 18.680 13.570 3.451 50 HD3 ARG 28 HD3 ARG 28 17.659 12.902 4.739 51 HE ARG 28 HE ARG 28 19.712 11.027 4.278 52 HH11 ARG 28 HH11 ARG 28 19.522 14.373 5.397 53 HH12 ARG 28 HH12 ARG 28 20.917 14.177 6.431 54 HH21 ARG 28 HH21 ARG 28 21.490 10.883 5.623 55 HH22 ARG 28 HH22 ARG 28 22.002 12.267 6.541 56 HA PRO 29 HA PRO 29 16.767 8.825 -1.469 57 HB2 PRO 29 HB2 PRO 29 16.714 11.663 -2.405 58 HB3 PRO 29 HB3 PRO 29 15.983 10.219 -3.155 59 HG2 PRO 29 HG2 PRO 29 14.498 12.144 -1.856 60 HG3 PRO 29 HG3 PRO 29 14.048 10.406 -1.834 61 HD2 PRO 29 HD2 PRO 29 15.440 12.026 0.297 62 HD3 PRO 29 HD3 PRO 29 14.189 10.755 0.453 63 H LYS 30 H LYS 30 18.800 9.184 -2.761 64 HA LYS 30 HA LYS 30 21.022 10.104 -1.126 65 HB2 LYS 30 HB2 LYS 30 20.816 8.344 -3.169 66 HB3 LYS 30 HB3 LYS 30 21.405 9.747 -4.077 67 HG2 LYS 30 HG2 LYS 30 23.258 9.789 -2.202 68 HG3 LYS 30 HG3 LYS 30 22.631 8.163 -1.808 69 HD2 LYS 30 HD2 LYS 30 23.140 7.386 -4.082 70 HD3 LYS 30 HD3 LYS 30 23.719 9.010 -4.531 71 HE2 LYS 30 HE2 LYS 30 25.475 8.869 -2.781 72 HE3 LYS 30 HE3 LYS 30 24.898 7.264 -2.318 73 HZ1 LYS 30 HZ1 LYS 30 26.800 7.121 -3.824 74 HZ2 LYS 30 HZ2 LYS 30 25.494 6.476 -4.555 75 HZ3 LYS 30 HZ3 LYS 30 26.028 7.962 -4.986 76 H LEU 31 H LEU 31 22.470 11.803 -1.658 77 HA LEU 31 HA LEU 31 21.205 14.274 -1.644 78 HB2 LEU 31 HB2 LEU 31 24.105 13.685 -2.345 79 HB3 LEU 31 HB3 LEU 31 23.474 15.278 -1.942 80 HG LEU 31 HG LEU 31 23.529 12.870 -0.073 81 HD11 LEU 31 HD11 LEU 31 25.224 14.162 1.141 82 HD12 LEU 31 HD12 LEU 31 25.744 13.864 -0.525 83 HD13 LEU 31 HD13 LEU 31 25.123 15.466 -0.065 84 HD21 LEU 31 HD21 LEU 31 22.908 14.524 1.692 85 HD22 LEU 31 HD22 LEU 31 22.620 15.739 0.427 86 HD23 LEU 31 HD23 LEU 31 21.615 14.271 0.522 87 HA PRO 32 HA PRO 32 22.082 15.353 -6.200 88 HB2 PRO 32 HB2 PRO 32 22.308 13.337 -8.074 89 HB3 PRO 32 HB3 PRO 32 23.679 14.166 -7.285 90 HG2 PRO 32 HG2 PRO 32 22.385 11.524 -6.522 91 HG3 PRO 32 HG3 PRO 32 24.133 11.890 -6.683 92 HD2 PRO 32 HD2 PRO 32 22.951 11.863 -4.278 93 HD3 PRO 32 HD3 PRO 32 24.151 13.126 -4.663 94 H LEU 33 H LEU 33 20.096 12.456 -5.386 95 HA LEU 33 HA LEU 33 18.071 13.215 -7.377 96 HB2 LEU 33 HB2 LEU 33 17.975 11.085 -5.187 97 HB3 LEU 33 HB3 LEU 33 16.752 11.394 -6.389 98 HG LEU 33 HG LEU 33 19.335 9.951 -6.631 99 HD11 LEU 33 HD11 LEU 33 16.722 9.715 -8.197 100 HD12 LEU 33 HD12 LEU 33 17.992 8.491 -8.039 101 HD13 LEU 33 HD13 LEU 33 16.987 8.941 -6.640 102 HD21 LEU 33 HD21 LEU 33 19.357 10.166 -9.123 103 HD22 LEU 33 HD22 LEU 33 18.270 11.562 -8.943 104 HD23 LEU 33 HD23 LEU 33 19.908 11.605 -8.265 105 H LEU 34 H LEU 34 18.432 13.388 -3.838 106 HA LEU 34 HA LEU 34 15.987 14.636 -3.159 107 HB2 LEU 34 HB2 LEU 34 17.737 13.704 -1.621 108 HB3 LEU 34 HB3 LEU 34 18.804 15.037 -2.026 109 HG LEU 34 HG LEU 34 17.276 16.645 -0.947 110 HD11 LEU 34 HD11 LEU 34 15.092 15.604 -1.258 111 HD12 LEU 34 HD12 LEU 34 15.593 14.181 -0.310 112 HD13 LEU 34 HD13 LEU 34 15.401 15.763 0.470 113 HD21 LEU 34 HD21 LEU 34 17.619 15.881 1.365 114 HD22 LEU 34 HD22 LEU 34 17.912 14.223 0.791 115 HD23 LEU 34 HD23 LEU 34 19.041 15.531 0.372 116 H LYS 35 H LYS 35 18.836 16.091 -4.722 117 HA LYS 35 HA LYS 35 18.318 18.799 -4.171 118 HB2 LYS 35 HB2 LYS 35 20.297 17.422 -5.482 119 HB3 LYS 35 HB3 LYS 35 19.420 18.024 -6.877 120 HG2 LYS 35 HG2 LYS 35 21.012 19.719 -6.427 121 HG3 LYS 35 HG3 LYS 35 19.518 20.342 -5.730 122 HD2 LYS 35 HD2 LYS 35 21.015 20.709 -3.957 123 HD3 LYS 35 HD3 LYS 35 20.334 19.140 -3.525 124 HE2 LYS 35 HE2 LYS 35 22.642 18.908 -3.155 125 HE3 LYS 35 HE3 LYS 35 22.325 18.030 -4.649 126 HZ1 LYS 35 HZ1 LYS 35 24.312 19.445 -4.813 127 HZ2 LYS 35 HZ2 LYS 35 23.202 19.983 -5.876 128 HZ3 LYS 35 HZ3 LYS 35 23.457 20.788 -4.475 129 H ILE 36 H ILE 36 16.908 16.776 -6.715 130 HA ILE 36 HA ILE 36 15.502 18.809 -8.168 131 HB ILE 36 HB ILE 36 14.973 15.844 -7.764 132 HG12 ILE 36 HG12 ILE 36 15.883 15.675 -10.036 133 HG13 ILE 36 HG13 ILE 36 16.241 17.399 -10.045 134 HG21 ILE 36 HG21 ILE 36 12.897 16.963 -8.497 135 HG22 ILE 36 HG22 ILE 36 13.784 17.819 -9.775 136 HG23 ILE 36 HG23 ILE 36 13.599 16.054 -9.827 137 HD11 ILE 36 HD11 ILE 36 18.181 15.820 -9.815 138 HD12 ILE 36 HD12 ILE 36 18.093 17.028 -8.544 139 HD13 ILE 36 HD13 ILE 36 17.543 15.359 -8.232 140 H LEU 37 H LEU 37 14.579 16.679 -5.395 141 HA LEU 37 HA LEU 37 11.862 17.541 -5.090 142 HB2 LEU 37 HB2 LEU 37 13.882 16.199 -3.219 143 HB3 LEU 37 HB3 LEU 37 12.252 16.578 -2.722 144 HG LEU 37 HG LEU 37 11.313 15.039 -4.305 145 HD11 LEU 37 HD11 LEU 37 12.871 15.100 -6.203 146 HD12 LEU 37 HD12 LEU 37 14.137 14.365 -5.180 147 HD13 LEU 37 HD13 LEU 37 12.676 13.456 -5.602 148 HD21 LEU 37 HD21 LEU 37 13.643 13.937 -2.731 149 HD22 LEU 37 HD22 LEU 37 12.004 14.231 -2.112 150 HD23 LEU 37 HD23 LEU 37 12.282 12.964 -3.326 151 H HIS 38 H HIS 38 14.890 18.573 -3.488 152 HA HIS 38 HA HIS 38 13.652 20.610 -1.841 153 HB2 HIS 38 HB2 HIS 38 16.472 19.803 -2.563 154 HB3 HIS 38 HB3 HIS 38 16.169 21.319 -1.710 155 HD2 HIS 38 HD2 HIS 38 13.728 18.640 -0.701 156 HE1 HIS 38 HE1 HIS 38 16.571 18.900 2.462 157 HE2 HIS 38 HE2 HIS 38 14.276 17.997 1.798 158 H ALA 39 H ALA 39 15.215 20.793 -5.068 159 HA ALA 39 HA ALA 39 15.031 23.613 -5.346 160 HB1 ALA 39 HB1 ALA 39 16.398 22.259 -6.818 161 HB2 ALA 39 HB2 ALA 39 14.972 21.358 -7.377 162 HB3 ALA 39 HB3 ALA 39 15.157 23.081 -7.786 163 H ALA 40 H ALA 40 12.544 21.127 -5.533 164 HA ALA 40 HA ALA 40 10.585 23.023 -6.550 165 HB1 ALA 40 HB1 ALA 40 9.767 20.408 -5.332 166 HB2 ALA 40 HB2 ALA 40 9.196 21.243 -6.805 167 HB3 ALA 40 HB3 ALA 40 10.745 20.372 -6.798 168 H GLY 41 H GLY 41 11.779 22.136 -3.373 169 HA2 GLY 41 HA2 GLY 41 11.211 23.163 -1.334 170 HA3 GLY 41 HA3 GLY 41 9.691 23.745 -2.005 171 H ALA 42 H ALA 42 11.396 20.741 -1.058 172 HA ALA 42 HA ALA 42 8.943 19.230 -0.649 173 HB1 ALA 42 HB1 ALA 42 11.741 18.504 0.237 174 HB2 ALA 42 HB2 ALA 42 10.367 17.424 -0.056 175 HB3 ALA 42 HB3 ALA 42 11.120 18.246 -1.421 176 H GLN 43 H GLN 43 8.404 18.174 1.413 177 HA GLN 43 HA GLN 43 8.396 20.184 3.567 178 HB2 GLN 43 HB2 GLN 43 6.331 19.081 2.444 179 HB3 GLN 43 HB3 GLN 43 6.685 17.693 3.475 180 HG2 GLN 43 HG2 GLN 43 6.486 19.213 5.483 181 HG3 GLN 43 HG3 GLN 43 6.155 20.564 4.398 182 HE21 GLN 43 HE22 GLN 43 4.877 17.373 5.497 183 HE22 GLN 43 HE21 GLN 43 3.210 17.758 5.090 184 H GLY 44 H GLY 44 10.811 18.638 3.203 185 HA2 GLY 44 HA2 GLY 44 11.862 18.150 5.640 186 HA3 GLY 44 HA3 GLY 44 10.936 16.672 5.396 187 H GLU 45 H GLU 45 12.977 15.618 5.587 188 HA GLU 45 HA GLU 45 14.344 15.326 2.921 189 HB2 GLU 45 HB2 GLU 45 15.462 15.023 5.731 190 HB3 GLU 45 HB3 GLU 45 16.260 14.437 4.268 191 HG2 GLU 45 HG2 GLU 45 16.409 16.691 3.365 192 HG3 GLU 45 HG3 GLU 45 15.555 17.340 4.770 193 H MET 46 H MET 46 12.342 13.752 5.201 194 HA MET 46 HA MET 46 13.103 10.972 4.290 195 HB2 MET 46 HB2 MET 46 12.201 12.089 6.967 196 HB3 MET 46 HB3 MET 46 11.937 10.420 6.526 197 HG2 MET 46 HG2 MET 46 13.929 10.439 7.774 198 HG3 MET 46 HG3 MET 46 14.381 10.141 6.104 199 HE1 MET 46 HE1 MET 46 15.218 14.047 8.483 200 HE2 MET 46 HE2 MET 46 13.572 13.627 7.971 201 HE3 MET 46 HE3 MET 46 14.429 12.598 9.141 202 H PHE 47 H PHE 47 11.551 10.314 2.834 203 HA PHE 47 HA PHE 47 8.673 10.650 3.544 204 HB2 PHE 47 HB2 PHE 47 8.925 11.295 0.764 205 HB3 PHE 47 HB3 PHE 47 8.206 12.196 2.073 206 HD1 PHE 47 HD1 PHE 47 11.703 11.372 0.883 207 HD2 PHE 47 HD2 PHE 47 8.946 14.384 2.282 208 HE1 PHE 47 HE1 PHE 47 13.400 13.111 0.522 209 HE2 PHE 47 HE2 PHE 47 10.632 16.148 1.819 210 HZ PHE 47 HZ PHE 47 12.856 15.526 0.898 211 H THR 48 H THR 48 7.191 9.590 2.119 212 HA THR 48 HA THR 48 8.026 6.913 1.155 213 HB THR 48 HB THR 48 5.549 6.710 0.649 214 HG1 THR 48 HG1 THR 48 5.409 9.189 2.028 215 HG21 THR 48 HG21 THR 48 6.315 5.830 2.735 216 HG22 THR 48 HG22 THR 48 6.292 7.428 3.510 217 HG23 THR 48 HG23 THR 48 4.769 6.660 2.967 218 H VAL 49 H VAL 49 7.201 6.132 -0.949 219 HA VAL 49 HA VAL 49 8.245 7.346 -3.234 220 HB VAL 49 HB VAL 49 6.055 5.289 -2.904 221 HG11 VAL 49 HG11 VAL 49 7.455 6.196 -5.454 222 HG12 VAL 49 HG12 VAL 49 6.556 4.675 -5.288 223 HG13 VAL 49 HG13 VAL 49 5.711 6.213 -5.126 224 HG21 VAL 49 HG21 VAL 49 8.340 4.648 -2.111 225 HG22 VAL 49 HG22 VAL 49 7.844 3.723 -3.532 226 HG23 VAL 49 HG23 VAL 49 8.995 5.063 -3.705 227 H LYS 50 H LYS 50 4.906 7.426 -1.931 228 HA LYS 50 HA LYS 50 3.794 8.901 -4.094 229 HB2 LYS 50 HB2 LYS 50 1.816 8.674 -2.873 230 HB3 LYS 50 HB3 LYS 50 2.751 7.226 -2.522 231 HG2 LYS 50 HG2 LYS 50 3.471 8.248 -0.387 232 HG3 LYS 50 HG3 LYS 50 2.413 9.640 -0.685 233 HD2 LYS 50 HD2 LYS 50 0.452 8.129 -0.665 234 HD3 LYS 50 HD3 LYS 50 1.530 6.731 -0.413 235 HE2 LYS 50 HE2 LYS 50 2.363 7.757 1.696 236 HE3 LYS 50 HE3 LYS 50 1.279 9.132 1.460 237 HZ1 LYS 50 HZ1 LYS 50 0.385 6.315 1.840 238 HZ2 LYS 50 HZ2 LYS 50 0.301 7.491 2.967 239 HZ3 LYS 50 HZ3 LYS 50 -0.613 7.592 1.621 240 H GLU 51 H GLU 51 5.312 9.912 -1.093 241 HA GLU 51 HA GLU 51 4.615 12.752 -1.383 242 HB2 GLU 51 HB2 GLU 51 6.594 11.262 0.365 243 HB3 GLU 51 HB3 GLU 51 6.342 13.008 0.426 244 HG2 GLU 51 HG2 GLU 51 4.046 12.737 1.124 245 HG3 GLU 51 HG3 GLU 51 4.100 10.996 0.884 246 H VAL 52 H VAL 52 7.659 10.784 -1.874 247 HA VAL 52 HA VAL 52 9.204 12.946 -2.770 248 HB VAL 52 HB VAL 52 10.610 11.367 -3.953 249 HG11 VAL 52 HG11 VAL 52 11.518 10.322 -1.956 250 HG12 VAL 52 HG12 VAL 52 10.849 11.898 -1.505 251 HG13 VAL 52 HG13 VAL 52 9.945 10.402 -1.148 252 HG21 VAL 52 HG21 VAL 52 9.098 9.578 -4.651 253 HG22 VAL 52 HG22 VAL 52 10.493 9.005 -3.748 254 HG23 VAL 52 HG23 VAL 52 8.938 9.163 -2.923 255 H MET 53 H MET 53 7.408 10.671 -4.795 256 HA MET 53 HA MET 53 7.943 11.993 -7.239 257 HB2 MET 53 HB2 MET 53 6.360 10.644 -8.260 258 HB3 MET 53 HB3 MET 53 7.011 9.680 -6.939 259 HG2 MET 53 HG2 MET 53 4.974 10.411 -5.573 260 HG3 MET 53 HG3 MET 53 4.317 11.092 -7.059 261 HE1 MET 53 HE1 MET 53 5.404 8.716 -9.211 262 HE2 MET 53 HE2 MET 53 3.841 7.888 -9.303 263 HE3 MET 53 HE3 MET 53 3.899 9.666 -9.262 264 H HIS 54 H HIS 54 5.562 12.976 -4.785 265 HA HIS 54 HA HIS 54 3.973 14.652 -6.531 266 HB2 HIS 54 HB2 HIS 54 3.256 13.912 -4.265 267 HB3 HIS 54 HB3 HIS 54 4.497 14.941 -3.547 268 HD2 HIS 54 HD2 HIS 54 4.036 17.546 -3.392 269 HE1 HIS 54 HE1 HIS 54 0.176 17.602 -5.208 270 HE2 HIS 54 HE2 HIS 54 1.897 18.983 -3.935 271 H TYR 55 H TYR 55 6.966 15.241 -4.645 272 HA TYR 55 HA TYR 55 7.165 18.007 -5.382 273 HB2 TYR 55 HB2 TYR 55 9.471 16.170 -4.760 274 HB3 TYR 55 HB3 TYR 55 9.429 17.921 -4.602 275 HD1 TYR 55 HD1 TYR 55 7.244 18.719 -3.061 276 HD2 TYR 55 HD2 TYR 55 9.458 15.045 -2.743 277 HE1 TYR 55 HE1 TYR 55 6.375 18.394 -0.745 278 HE2 TYR 55 HE2 TYR 55 8.643 14.736 -0.426 279 HH TYR 55 HH TYR 55 7.277 15.577 1.267 280 H LEU 56 H LEU 56 7.969 15.065 -7.211 281 HA LEU 56 HA LEU 56 9.534 16.478 -9.247 282 HB2 LEU 56 HB2 LEU 56 7.945 13.916 -9.598 283 HB3 LEU 56 HB3 LEU 56 9.243 14.518 -10.619 284 HG LEU 56 HG LEU 56 9.520 13.512 -7.766 285 HD11 LEU 56 HD11 LEU 56 10.434 12.292 -10.392 286 HD12 LEU 56 HD12 LEU 56 10.648 11.614 -8.754 287 HD13 LEU 56 HD13 LEU 56 9.023 11.759 -9.449 288 HD21 LEU 56 HD21 LEU 56 11.695 14.332 -9.720 289 HD22 LEU 56 HD22 LEU 56 11.239 15.208 -8.237 290 HD23 LEU 56 HD23 LEU 56 11.942 13.587 -8.132 291 H GLY 57 H GLY 57 6.102 15.421 -8.957 292 HA2 GLY 57 HA2 GLY 57 5.088 16.522 -11.344 293 HA3 GLY 57 HA3 GLY 57 4.195 16.323 -9.831 294 H GLN 58 H GLN 58 5.268 18.123 -8.105 295 HA GLN 58 HA GLN 58 4.405 20.657 -9.114 296 HB2 GLN 58 HB2 GLN 58 4.484 21.405 -7.008 297 HB3 GLN 58 HB3 GLN 58 4.542 19.686 -6.654 298 HG2 GLN 58 HG2 GLN 58 7.116 19.969 -6.559 299 HG3 GLN 58 HG3 GLN 58 6.853 21.693 -6.671 300 HE21 GLN 58 HE22 GLN 58 7.697 22.139 -4.496 301 HE22 GLN 58 HE21 GLN 58 6.947 21.477 -3.068 302 H TYR 59 H TYR 59 7.732 19.283 -8.804 303 HA TYR 59 HA TYR 59 9.155 21.629 -9.404 304 HB2 TYR 59 HB2 TYR 59 10.215 19.529 -8.650 305 HB3 TYR 59 HB3 TYR 59 9.790 18.742 -10.138 306 HD1 TYR 59 HD1 TYR 59 10.834 19.450 -12.288 307 HD2 TYR 59 HD2 TYR 59 12.192 20.968 -8.483 308 HE1 TYR 59 HE1 TYR 59 13.064 19.955 -13.286 309 HE2 TYR 59 HE2 TYR 59 14.400 21.493 -9.507 310 HH TYR 59 HH TYR 59 15.236 20.585 -12.836 311 H ILE 60 H ILE 60 7.818 19.075 -11.611 312 HA ILE 60 HA ILE 60 8.634 20.339 -14.054 313 HB ILE 60 HB ILE 60 6.256 18.510 -13.551 314 HG12 ILE 60 HG12 ILE 60 8.851 17.532 -14.756 315 HG13 ILE 60 HG13 ILE 60 8.784 17.719 -13.016 316 HG21 ILE 60 HG21 ILE 60 6.092 19.621 -15.727 317 HG22 ILE 60 HG22 ILE 60 7.760 19.200 -16.127 318 HG23 ILE 60 HG23 ILE 60 6.526 17.927 -15.970 319 HD11 ILE 60 HD11 ILE 60 8.169 15.484 -13.444 320 HD12 ILE 60 HD12 ILE 60 6.684 16.311 -12.978 321 HD13 ILE 60 HD13 ILE 60 6.979 15.947 -14.690 322 H MET 61 H MET 61 5.566 20.581 -12.177 323 HA MET 61 HA MET 61 4.225 22.288 -13.988 324 HB2 MET 61 HB2 MET 61 3.258 21.020 -12.030 325 HB3 MET 61 HB3 MET 61 3.944 22.241 -10.953 326 HG2 MET 61 HG2 MET 61 1.607 22.727 -11.367 327 HG3 MET 61 HG3 MET 61 2.598 23.985 -12.088 328 HE1 MET 61 HE1 MET 61 0.846 24.396 -15.303 329 HE2 MET 61 HE2 MET 61 0.780 24.968 -13.621 330 HE3 MET 61 HE3 MET 61 2.351 24.789 -14.438 331 H VAL 62 H VAL 62 6.431 23.209 -11.272 332 HA VAL 62 HA VAL 62 6.146 26.054 -11.854 333 HB VAL 62 HB VAL 62 6.623 25.170 -9.611 334 HG11 VAL 62 HG11 VAL 62 8.872 24.678 -8.862 335 HG12 VAL 62 HG12 VAL 62 8.372 23.513 -10.076 336 HG13 VAL 62 HG13 VAL 62 9.507 24.810 -10.512 337 HG21 VAL 62 HG21 VAL 62 7.031 27.541 -10.187 338 HG22 VAL 62 HG22 VAL 62 8.151 26.938 -8.945 339 HG23 VAL 62 HG23 VAL 62 8.711 27.126 -10.623 340 H LYS 63 H LYS 63 8.645 23.637 -12.610 341 HA LYS 63 HA LYS 63 10.290 25.481 -14.139 342 HB2 LYS 63 HB2 LYS 63 10.333 22.449 -14.003 343 HB3 LYS 63 HB3 LYS 63 11.563 23.454 -14.763 344 HG2 LYS 63 HG2 LYS 63 10.921 23.478 -11.804 345 HG3 LYS 63 HG3 LYS 63 12.286 22.702 -12.594 346 HD2 LYS 63 HD2 LYS 63 12.965 25.056 -13.412 347 HD3 LYS 63 HD3 LYS 63 11.729 25.662 -12.297 348 HE2 LYS 63 HE2 LYS 63 13.595 25.722 -10.933 349 HE3 LYS 63 HE3 LYS 63 12.890 24.156 -10.504 350 HZ1 LYS 63 HZ1 LYS 63 15.136 24.569 -12.442 351 HZ2 LYS 63 HZ2 LYS 63 15.322 24.035 -10.918 352 HZ3 LYS 63 HZ3 LYS 63 14.550 23.101 -12.013 353 H GLN 64 H GLN 64 7.396 23.967 -15.072 354 HA GLN 64 HA GLN 64 6.431 23.215 -16.859 355 HB2 GLN 64 HB2 GLN 64 6.093 24.774 -18.703 356 HB3 GLN 64 HB3 GLN 64 5.812 25.442 -17.107 357 HG2 GLN 64 HG2 GLN 64 8.554 25.940 -17.799 358 HG3 GLN 64 HG3 GLN 64 7.576 26.386 -19.183 359 HE21 GLN 64 HE22 GLN 64 7.653 26.799 -15.548 360 HE22 GLN 64 HE21 GLN 64 6.979 28.395 -15.591 361 H LEU 65 H LEU 65 8.045 21.492 -16.724 362 HA LEU 65 HA LEU 65 9.832 21.391 -19.070 363 HB2 LEU 65 HB2 LEU 65 9.844 19.670 -16.561 364 HB3 LEU 65 HB3 LEU 65 10.841 19.374 -17.968 365 HG LEU 65 HG LEU 65 10.996 21.786 -16.155 366 HD11 LEU 65 HD11 LEU 65 11.871 19.695 -15.227 367 HD12 LEU 65 HD12 LEU 65 12.929 19.494 -16.645 368 HD13 LEU 65 HD13 LEU 65 13.161 20.867 -15.539 369 HD21 LEU 65 HD21 LEU 65 11.612 22.531 -18.402 370 HD22 LEU 65 HD22 LEU 65 13.076 22.344 -17.437 371 HD23 LEU 65 HD23 LEU 65 12.643 21.096 -18.628 372 H TYR 66 H TYR 66 7.109 21.342 -19.494 373 HA TYR 66 HA TYR 66 6.752 18.565 -20.467 374 HB2 TYR 66 HB2 TYR 66 4.275 19.010 -20.386 375 HB3 TYR 66 HB3 TYR 66 5.115 18.777 -18.868 376 HD1 TYR 66 HD2 TYR 66 4.127 21.612 -21.168 377 HD2 TYR 66 HD1 TYR 66 4.637 20.197 -17.153 378 HE1 TYR 66 HE2 TYR 66 3.301 23.802 -20.317 379 HE2 TYR 66 HE1 TYR 66 3.819 22.405 -16.265 380 HH TYR 66 HH TYR 66 3.036 24.512 -16.811 381 H ASP 67 H ASP 67 5.219 18.395 -22.384 382 HA ASP 67 HA ASP 67 6.165 20.076 -24.563 383 HB2 ASP 67 HB2 ASP 67 5.518 17.584 -24.650 384 HB3 ASP 67 HB3 ASP 67 3.843 18.145 -24.624 385 H GLN 68 H GLN 68 4.945 21.544 -25.843 386 HA GLN 68 HA GLN 68 3.041 23.144 -24.412 387 HB2 GLN 68 HB2 GLN 68 2.800 23.874 -27.083 388 HB3 GLN 68 HB3 GLN 68 3.640 24.702 -25.779 389 HG2 GLN 68 HG2 GLN 68 5.200 24.600 -27.510 390 HG3 GLN 68 HG3 GLN 68 5.700 23.315 -26.416 391 HE21 GLN 68 HE22 GLN 68 6.269 21.423 -27.669 392 HE22 GLN 68 HE21 GLN 68 5.295 20.886 -29.020 393 H GLN 69 H GLN 69 2.693 20.782 -27.074 394 HA GLN 69 HA GLN 69 -0.168 21.133 -27.355 395 HB2 GLN 69 HB2 GLN 69 1.573 18.805 -28.237 396 HB3 GLN 69 HB3 GLN 69 -0.069 19.152 -28.735 397 HG2 GLN 69 HG2 GLN 69 2.412 20.735 -29.393 398 HG3 GLN 69 HG3 GLN 69 1.394 19.835 -30.506 399 HE21 GLN 69 HE22 GLN 69 2.084 22.911 -29.386 400 HE22 GLN 69 HE21 GLN 69 0.564 23.709 -29.820 401 H GLU 70 H GLU 70 1.935 19.187 -25.374 402 HA GLU 70 HA GLU 70 -0.369 17.710 -24.125 403 HB2 GLU 70 HB2 GLU 70 2.180 16.524 -25.291 404 HB3 GLU 70 HB3 GLU 70 1.129 15.675 -24.160 405 HG2 GLU 70 HG2 GLU 70 -0.798 16.101 -25.778 406 HG3 GLU 70 HG3 GLU 70 0.408 16.648 -26.947 407 H GLN 71 H GLN 71 -0.222 19.090 -22.293 408 HA GLN 71 HA GLN 71 2.064 19.587 -20.749 409 HB2 GLN 71 HB2 GLN 71 -0.918 19.480 -20.257 410 HB3 GLN 71 HB3 GLN 71 0.185 19.766 -18.905 411 HG2 GLN 71 HG2 GLN 71 -0.484 21.892 -19.643 412 HG3 GLN 71 HG3 GLN 71 1.187 21.702 -20.144 413 HE21 GLN 71 HE22 GLN 71 1.555 21.224 -22.598 414 HE22 GLN 71 HE21 GLN 71 0.348 21.934 -23.650 415 H HIS 72 H HIS 72 0.102 16.652 -20.750 416 HA HIS 72 HA HIS 72 1.257 15.526 -18.326 417 HB2 HIS 72 HB2 HIS 72 0.029 13.480 -19.256 418 HB3 HIS 72 HB3 HIS 72 -0.968 14.889 -18.894 419 HD2 HIS 72 HD2 HIS 72 0.509 12.896 -21.829 420 HE1 HIS 72 HE1 HIS 72 -2.095 15.825 -23.544 421 HE2 HIS 72 HE2 HIS 72 -0.606 13.799 -24.070 422 H MET 73 H MET 73 2.460 15.867 -21.522 423 HA MET 73 HA MET 73 4.289 13.533 -21.295 424 HB2 MET 73 HB2 MET 73 3.141 13.882 -23.472 425 HB3 MET 73 HB3 MET 73 3.875 15.489 -23.591 426 HG2 MET 73 HG2 MET 73 5.151 13.910 -24.912 427 HG3 MET 73 HG3 MET 73 6.121 14.479 -23.555 428 HE1 MET 73 HE1 MET 73 7.130 12.023 -25.188 429 HE2 MET 73 HE2 MET 73 7.881 12.739 -23.743 430 HE3 MET 73 HE3 MET 73 7.629 10.979 -23.837 431 H VAL 74 H VAL 74 6.239 13.833 -20.437 432 HA VAL 74 HA VAL 74 7.033 16.612 -19.691 433 HB VAL 74 HB VAL 74 7.920 14.004 -18.420 434 HG11 VAL 74 HG11 VAL 74 8.478 15.497 -16.535 435 HG12 VAL 74 HG12 VAL 74 9.304 16.026 -17.999 436 HG13 VAL 74 HG13 VAL 74 7.869 16.890 -17.441 437 HG21 VAL 74 HG21 VAL 74 5.585 15.818 -17.647 438 HG22 VAL 74 HG22 VAL 74 5.487 14.106 -18.123 439 HG23 VAL 74 HG23 VAL 74 6.274 14.544 -16.613 440 H TYR 75 H TYR 75 9.064 17.357 -20.161 441 HA TYR 75 HA TYR 75 11.051 15.726 -21.675 442 HB2 TYR 75 HB2 TYR 75 9.743 18.323 -22.494 443 HB3 TYR 75 HB3 TYR 75 11.358 17.886 -23.045 444 HD1 TYR 75 HD1 TYR 75 11.713 15.519 -24.005 445 HD2 TYR 75 HD2 TYR 75 7.865 17.455 -23.746 446 HE1 TYR 75 HE1 TYR 75 10.830 13.965 -25.703 447 HE2 TYR 75 HE2 TYR 75 6.990 15.922 -25.513 448 HH TYR 75 HH TYR 75 9.020 13.389 -27.036 449 H CYS 76 H CYS 76 12.650 15.662 -20.251 450 HA CYS 76 HA CYS 76 13.500 18.042 -18.673 451 HB2 CYS 76 HB2 CYS 76 13.910 15.084 -18.066 452 HB3 CYS 76 HB3 CYS 76 14.222 16.457 -16.989 453 HG CYS 76 HG CYS 76 11.683 17.318 -17.025 454 H GLY 77 H GLY 77 14.550 16.990 -21.467 455 HA2 GLY 77 HA2 GLY 77 17.128 15.923 -21.227 456 HA3 GLY 77 HA3 GLY 77 16.600 16.954 -22.552 457 H GLY 78 H GLY 78 18.895 16.638 -20.215 458 HA2 GLY 78 HA2 GLY 78 20.687 18.003 -19.682 459 HA3 GLY 78 HA3 GLY 78 19.908 19.369 -20.473 460 H ASP 79 H ASP 79 17.665 18.126 -18.248 461 HA ASP 79 HA ASP 79 18.347 20.218 -16.253 462 HB2 ASP 79 HB2 ASP 79 16.027 19.979 -17.291 463 HB3 ASP 79 HB3 ASP 79 15.854 18.495 -16.356 464 H LEU 80 H LEU 80 18.230 19.757 -13.938 465 HA LEU 80 HA LEU 80 19.625 17.450 -12.993 466 HB2 LEU 80 HB2 LEU 80 18.428 19.862 -11.886 467 HB3 LEU 80 HB3 LEU 80 17.826 18.481 -10.995 468 HG LEU 80 HG LEU 80 20.198 17.722 -10.598 469 HD11 LEU 80 HD11 LEU 80 20.879 20.457 -11.804 470 HD12 LEU 80 HD12 LEU 80 22.019 19.367 -10.985 471 HD13 LEU 80 HD13 LEU 80 21.292 18.889 -12.521 472 HD21 LEU 80 HD21 LEU 80 19.606 20.589 -9.719 473 HD22 LEU 80 HD22 LEU 80 18.940 19.139 -8.954 474 HD23 LEU 80 HD23 LEU 80 20.689 19.433 -8.912 475 H LEU 81 H LEU 81 16.070 18.136 -13.092 476 HA LEU 81 HA LEU 81 15.214 15.699 -12.062 477 HB2 LEU 81 HB2 LEU 81 13.716 17.557 -12.498 478 HB3 LEU 81 HB3 LEU 81 14.034 17.475 -14.230 479 HG LEU 81 HG LEU 81 12.894 15.252 -14.331 480 HD11 LEU 81 HD11 LEU 81 13.186 14.623 -11.907 481 HD12 LEU 81 HD12 LEU 81 11.995 15.871 -11.488 482 HD13 LEU 81 HD13 LEU 81 11.521 14.480 -12.487 483 HD21 LEU 81 HD21 LEU 81 11.157 17.378 -13.040 484 HD22 LEU 81 HD22 LEU 81 11.685 17.422 -14.732 485 HD23 LEU 81 HD23 LEU 81 10.660 16.092 -14.164 486 H GLY 82 H GLY 82 16.283 16.373 -15.403 487 HA2 GLY 82 HA2 GLY 82 15.591 13.789 -16.531 488 HA3 GLY 82 HA3 GLY 82 16.701 14.991 -17.210 489 H GLU 83 H GLU 83 18.584 15.160 -15.038 490 HA GLU 83 HA GLU 83 20.180 12.801 -15.437 491 HB2 GLU 83 HB2 GLU 83 21.748 14.181 -14.809 492 HB3 GLU 83 HB3 GLU 83 20.561 15.415 -14.414 493 HG2 GLU 83 HG2 GLU 83 20.467 14.719 -12.117 494 HG3 GLU 83 HG3 GLU 83 21.457 13.289 -12.432 495 H LEU 84 H LEU 84 18.034 13.823 -12.744 496 HA LEU 84 HA LEU 84 18.445 11.581 -11.095 497 HB2 LEU 84 HB2 LEU 84 17.397 13.447 -10.203 498 HB3 LEU 84 HB3 LEU 84 16.256 13.627 -11.507 499 HG LEU 84 HG LEU 84 16.045 11.268 -9.617 500 HD11 LEU 84 HD11 LEU 84 14.648 13.940 -9.331 501 HD12 LEU 84 HD12 LEU 84 14.563 12.555 -8.221 502 HD13 LEU 84 HD13 LEU 84 16.068 13.474 -8.377 503 HD21 LEU 84 HD21 LEU 84 14.087 12.745 -11.426 504 HD22 LEU 84 HD22 LEU 84 14.556 11.055 -11.516 505 HD23 LEU 84 HD23 LEU 84 13.574 11.609 -10.168 506 H LEU 85 H LEU 85 16.143 12.003 -13.775 507 HA LEU 85 HA LEU 85 15.085 9.327 -13.492 508 HB2 LEU 85 HB2 LEU 85 14.567 11.698 -15.099 509 HB3 LEU 85 HB3 LEU 85 14.596 10.307 -16.151 510 HG LEU 85 HG LEU 85 12.945 10.484 -13.592 511 HD11 LEU 85 HD11 LEU 85 11.039 10.802 -15.094 512 HD12 LEU 85 HD12 LEU 85 12.218 12.113 -15.256 513 HD13 LEU 85 HD13 LEU 85 12.140 10.837 -16.494 514 HD21 LEU 85 HD21 LEU 85 11.706 8.554 -14.542 515 HD22 LEU 85 HD22 LEU 85 12.822 8.505 -15.917 516 HD23 LEU 85 HD23 LEU 85 13.397 8.124 -14.282 517 H GLY 86 H GLY 86 17.825 10.561 -15.307 518 HA2 GLY 86 HA2 GLY 86 19.471 9.436 -16.504 519 HA3 GLY 86 HA3 GLY 86 18.676 7.889 -16.189 520 H ARG 87 H ARG 87 16.561 10.268 -17.408 521 HA ARG 87 HA ARG 87 16.900 9.761 -20.278 522 HB2 ARG 87 HB2 ARG 87 14.631 8.925 -20.628 523 HB3 ARG 87 HB3 ARG 87 15.638 7.805 -19.711 524 HG2 ARG 87 HG2 ARG 87 14.506 8.486 -17.614 525 HG3 ARG 87 HG3 ARG 87 13.513 9.642 -18.522 526 HD2 ARG 87 HD2 ARG 87 12.201 7.671 -18.165 527 HD3 ARG 87 HD3 ARG 87 12.623 7.750 -19.880 528 HE ARG 87 HE ARG 87 14.377 6.126 -18.110 529 HH11 ARG 87 HH11 ARG 87 11.825 6.014 -20.516 530 HH12 ARG 87 HH12 ARG 87 12.113 4.333 -20.870 531 HH21 ARG 87 HH21 ARG 87 14.700 3.993 -18.630 532 HH22 ARG 87 HH22 ARG 87 13.696 3.224 -19.821 533 H GLN 88 H GLN 88 15.954 11.173 -21.571 534 HA GLN 88 HA GLN 88 15.368 13.795 -20.452 535 HB2 GLN 88 HB2 GLN 88 15.306 14.526 -22.720 536 HB3 GLN 88 HB3 GLN 88 16.687 13.444 -22.494 537 HG2 GLN 88 HG2 GLN 88 15.437 11.624 -23.635 538 HG3 GLN 88 HG3 GLN 88 14.047 12.699 -23.834 539 HE21 GLN 88 HE22 GLN 88 14.364 14.693 -25.211 540 HE22 GLN 88 HE21 GLN 88 15.561 14.597 -26.494 541 H SER 89 H SER 89 13.327 11.148 -21.244 542 HA SER 89 HA SER 89 10.965 12.878 -20.740 543 HB2 SER 89 HB2 SER 89 9.817 12.198 -22.826 544 HB3 SER 89 HB3 SER 89 11.291 13.124 -23.138 545 HG SER 89 HG SER 89 11.119 11.241 -24.492 546 H PHE 90 H PHE 90 8.991 12.004 -20.475 547 HA PHE 90 HA PHE 90 8.295 9.205 -20.311 548 HB2 PHE 90 HB2 PHE 90 8.009 9.010 -17.953 549 HB3 PHE 90 HB3 PHE 90 9.688 9.365 -18.272 550 HD1 PHE 90 HD1 PHE 90 10.481 11.839 -18.009 551 HD2 PHE 90 HD2 PHE 90 6.780 10.314 -16.396 552 HE1 PHE 90 HE1 PHE 90 10.466 13.656 -16.355 553 HE2 PHE 90 HE2 PHE 90 6.765 12.134 -14.726 554 HZ PHE 90 HZ PHE 90 8.653 13.763 -14.622 555 H SER 91 H SER 91 5.996 9.165 -19.159 556 HA SER 91 HA SER 91 4.518 11.754 -19.442 557 HB2 SER 91 HB2 SER 91 4.049 10.537 -21.475 558 HB3 SER 91 HB3 SER 91 3.697 9.055 -20.567 559 HG SER 91 HG SER 91 1.835 10.387 -21.252 560 H VAL 92 H VAL 92 2.696 11.982 -17.995 561 HA VAL 92 HA VAL 92 2.762 10.527 -15.558 562 HB VAL 92 HB VAL 92 0.923 11.749 -14.927 563 HG11 VAL 92 HG11 VAL 92 2.111 13.618 -16.973 564 HG12 VAL 92 HG12 VAL 92 1.380 14.020 -15.421 565 HG13 VAL 92 HG13 VAL 92 2.927 13.159 -15.456 566 HG21 VAL 92 HG21 VAL 92 -0.784 11.301 -16.482 567 HG22 VAL 92 HG22 VAL 92 -0.533 13.044 -16.607 568 HG23 VAL 92 HG23 VAL 92 0.166 11.951 -17.828 569 H LYS 93 H LYS 93 1.389 9.766 -18.612 570 HA LYS 93 HA LYS 93 -0.468 7.671 -17.650 571 HB2 LYS 93 HB2 LYS 93 0.296 8.639 -20.435 572 HB3 LYS 93 HB3 LYS 93 -0.954 7.444 -20.092 573 HG2 LYS 93 HG2 LYS 93 -2.345 9.041 -18.961 574 HG3 LYS 93 HG3 LYS 93 -1.062 10.251 -18.912 575 HD2 LYS 93 HD2 LYS 93 -1.095 10.423 -21.383 576 HD3 LYS 93 HD3 LYS 93 -2.463 9.286 -21.430 577 HE2 LYS 93 HE2 LYS 93 -3.834 10.809 -20.087 578 HE3 LYS 93 HE3 LYS 93 -2.463 11.890 -19.825 579 HZ1 LYS 93 HZ1 LYS 93 -3.931 12.718 -21.580 580 HZ2 LYS 93 HZ2 LYS 93 -2.463 12.396 -22.209 581 HZ3 LYS 93 HZ3 LYS 93 -3.717 11.370 -22.474 582 H ASP 94 H ASP 94 2.826 7.838 -18.180 583 HA ASP 94 HA ASP 94 3.108 4.885 -18.314 584 HB2 ASP 94 HB2 ASP 94 4.587 6.871 -20.078 585 HB3 ASP 94 HB3 ASP 94 5.113 5.213 -19.797 586 HA PRO 95 HA PRO 95 5.256 7.275 -14.914 587 HB2 PRO 95 HB2 PRO 95 4.349 5.927 -12.737 588 HB3 PRO 95 HB3 PRO 95 3.314 7.070 -13.636 589 HG2 PRO 95 HG2 PRO 95 3.417 4.056 -13.968 590 HG3 PRO 95 HG3 PRO 95 1.978 5.090 -13.666 591 HD2 PRO 95 HD2 PRO 95 2.662 4.366 -16.181 592 HD3 PRO 95 HD3 PRO 95 2.070 6.020 -15.837 593 H SER 96 H SER 96 5.474 3.967 -15.805 594 HA SER 96 HA SER 96 6.859 2.555 -14.103 595 HB2 SER 96 HB2 SER 96 7.581 2.648 -17.050 596 HB3 SER 96 HB3 SER 96 7.775 1.274 -15.942 597 HG SER 96 HG SER 96 5.839 1.100 -17.171 598 HA PRO 97 HA PRO 97 11.301 3.765 -15.162 599 HB2 PRO 97 HB2 PRO 97 12.043 6.210 -16.097 600 HB3 PRO 97 HB3 PRO 97 11.537 4.861 -17.156 601 HG2 PRO 97 HG2 PRO 97 9.815 7.152 -16.147 602 HG3 PRO 97 HG3 PRO 97 10.017 6.587 -17.839 603 HD2 PRO 97 HD2 PRO 97 7.946 5.786 -16.360 604 HD3 PRO 97 HD3 PRO 97 8.766 4.634 -17.441 605 H LEU 98 H LEU 98 9.117 6.109 -13.672 606 HA LEU 98 HA LEU 98 10.959 7.431 -11.942 607 HB2 LEU 98 HB2 LEU 98 8.010 6.733 -11.533 608 HB3 LEU 98 HB3 LEU 98 8.904 7.942 -10.646 609 HG LEU 98 HG LEU 98 8.359 8.098 -13.645 610 HD11 LEU 98 HD11 LEU 98 6.668 9.774 -13.047 611 HD12 LEU 98 HD12 LEU 98 6.265 8.196 -12.351 612 HD13 LEU 98 HD13 LEU 98 6.947 9.473 -11.318 613 HD21 LEU 98 HD21 LEU 98 9.279 10.193 -11.646 614 HD22 LEU 98 HD22 LEU 98 10.326 9.395 -12.842 615 HD23 LEU 98 HD23 LEU 98 9.001 10.437 -13.386 616 H TYR 99 H TYR 99 8.827 4.634 -11.437 617 HA TYR 99 HA TYR 99 9.575 4.153 -8.755 618 HB2 TYR 99 HB2 TYR 99 8.372 2.382 -10.925 619 HB3 TYR 99 HB3 TYR 99 8.567 1.861 -9.258 620 HD1 TYR 99 HD2 TYR 99 6.874 4.544 -11.382 621 HD2 TYR 99 HD1 TYR 99 7.079 2.501 -7.559 622 HE1 TYR 99 HE2 TYR 99 4.765 5.632 -10.645 623 HE2 TYR 99 HE1 TYR 99 4.927 3.551 -6.888 624 HH TYR 99 HH TYR 99 3.213 4.960 -7.500 625 H ASP 100 H ASP 100 11.056 3.033 -11.766 626 HA ASP 100 HA ASP 100 12.850 1.110 -10.565 627 HB2 ASP 100 HB2 ASP 100 12.037 1.269 -12.965 628 HB3 ASP 100 HB3 ASP 100 13.199 2.561 -13.173 629 H MET 101 H MET 101 13.121 4.502 -11.504 630 HA MET 101 HA MET 101 15.887 4.825 -10.734 631 HB2 MET 101 HB2 MET 101 15.718 6.966 -11.388 632 HB3 MET 101 HB3 MET 101 14.235 6.403 -12.144 633 HG2 MET 101 HG2 MET 101 13.208 7.045 -9.776 634 HG3 MET 101 HG3 MET 101 14.630 8.061 -9.653 635 HE1 MET 101 HE1 MET 101 11.224 10.060 -10.395 636 HE2 MET 101 HE2 MET 101 11.307 8.437 -9.682 637 HE3 MET 101 HE3 MET 101 12.432 9.703 -9.136 638 H LEU 102 H LEU 102 12.901 4.711 -8.844 639 HA LEU 102 HA LEU 102 14.189 5.816 -6.437 640 HB2 LEU 102 HB2 LEU 102 11.461 4.526 -6.841 641 HB3 LEU 102 HB3 LEU 102 12.066 5.161 -5.318 642 HG LEU 102 HG LEU 102 11.512 6.785 -7.827 643 HD11 LEU 102 HD11 LEU 102 10.120 6.745 -5.129 644 HD12 LEU 102 HD12 LEU 102 9.703 7.767 -6.525 645 HD13 LEU 102 HD13 LEU 102 9.510 6.011 -6.632 646 HD21 LEU 102 HD21 LEU 102 11.878 8.780 -6.378 647 HD22 LEU 102 HD22 LEU 102 12.553 7.713 -5.128 648 HD23 LEU 102 HD23 LEU 102 13.351 7.870 -6.709 649 H ARG 103 H ARG 103 13.139 2.506 -7.612 650 HA ARG 103 HA ARG 103 13.562 1.045 -5.476 651 HB2 ARG 103 HB2 ARG 103 14.449 0.513 -8.336 652 HB3 ARG 103 HB3 ARG 103 14.511 -0.757 -7.096 653 HG2 ARG 103 HG2 ARG 103 11.957 -0.022 -6.729 654 HG3 ARG 103 HG3 ARG 103 12.129 0.499 -8.412 655 HD2 ARG 103 HD2 ARG 103 12.723 -2.253 -7.394 656 HD3 ARG 103 HD3 ARG 103 11.226 -1.719 -8.196 657 HE ARG 103 HE ARG 103 13.313 -1.054 -9.959 658 HH11 ARG 103 HH11 ARG 103 12.060 -4.073 -8.682 659 HH12 ARG 103 HH12 ARG 103 12.502 -4.952 -10.122 660 HH21 ARG 103 HH21 ARG 103 13.753 -2.159 -11.739 661 HH22 ARG 103 HH22 ARG 103 13.475 -3.894 -11.827 662 H LYS 104 H LYS 104 16.318 2.198 -7.312 663 HA LYS 104 HA LYS 104 18.256 0.885 -5.500 664 HB2 LYS 104 HB2 LYS 104 19.835 1.591 -7.432 665 HB3 LYS 104 HB3 LYS 104 18.819 0.175 -7.548 666 HG2 LYS 104 HG2 LYS 104 18.939 1.440 -9.649 667 HG3 LYS 104 HG3 LYS 104 17.305 1.248 -9.053 668 HD2 LYS 104 HD2 LYS 104 17.613 3.481 -9.970 669 HD3 LYS 104 HD3 LYS 104 17.248 3.546 -8.258 670 HE2 LYS 104 HE2 LYS 104 18.902 5.204 -8.730 671 HE3 LYS 104 HE3 LYS 104 19.643 3.959 -7.733 672 HZ1 LYS 104 HZ1 LYS 104 19.956 4.174 -10.703 673 HZ2 LYS 104 HZ2 LYS 104 21.088 4.605 -9.616 674 HZ3 LYS 104 HZ3 LYS 104 20.680 3.039 -9.776 675 H ASN 105 H ASN 105 16.920 3.944 -5.694 676 HA ASN 105 HA ASN 105 19.368 5.259 -4.457 677 HB2 ASN 105 HB2 ASN 105 18.153 6.167 -6.654 678 HB3 ASN 105 HB3 ASN 105 16.977 6.801 -5.488 679 HD21 ASN 105 HD22 ASN 105 20.454 6.633 -6.277 680 HD22 ASN 105 HD21 ASN 105 20.876 8.038 -5.338 681 H LEU 106 H LEU 106 15.871 4.695 -4.192 682 HA LEU 106 HA LEU 106 15.865 5.584 -1.338 683 HB2 LEU 106 HB2 LEU 106 14.726 7.160 -2.722 684 HB3 LEU 106 HB3 LEU 106 13.891 5.881 -3.615 685 HG LEU 106 HG LEU 106 12.575 5.308 -1.632 686 HD11 LEU 106 HD11 LEU 106 14.107 6.087 0.179 687 HD12 LEU 106 HD12 LEU 106 13.921 7.766 -0.382 688 HD13 LEU 106 HD13 LEU 106 12.543 6.887 0.311 689 HD21 LEU 106 HD21 LEU 106 11.616 6.842 -3.194 690 HD22 LEU 106 HD22 LEU 106 11.197 7.385 -1.566 691 HD23 LEU 106 HD23 LEU 106 12.488 8.219 -2.467 692 H VAL 107 H VAL 107 15.506 4.095 0.037 693 HA VAL 107 HA VAL 107 14.252 1.493 -0.651 694 HB VAL 107 HB VAL 107 15.486 2.429 1.967 695 HG11 VAL 107 HG11 VAL 107 15.477 0.012 2.562 696 HG12 VAL 107 HG12 VAL 107 13.845 0.653 2.404 697 HG13 VAL 107 HG13 VAL 107 14.538 -0.340 1.097 698 HG21 VAL 107 HG21 VAL 107 17.189 2.187 0.195 699 HG22 VAL 107 HG22 VAL 107 17.331 0.878 1.368 700 HG23 VAL 107 HG23 VAL 107 16.562 0.573 -0.206 701 H THR 108 H THR 108 12.226 0.822 0.129 702 HA THR 108 HA THR 108 10.675 2.684 1.845 703 HB THR 108 HB THR 108 10.038 3.425 -0.288 704 HG1 THR 108 HG1 THR 108 7.876 2.948 -0.291 705 HG21 THR 108 HG21 THR 108 10.799 1.655 -1.785 706 HG22 THR 108 HG22 THR 108 9.614 0.519 -1.103 707 HG23 THR 108 HG23 THR 108 9.078 1.928 -2.049 708 H LEU 109 H LEU 109 8.628 1.720 2.538 709 HA LEU 109 HA LEU 109 8.917 -1.003 3.599 710 HB2 LEU 109 HB2 LEU 109 7.926 0.892 4.826 711 HB3 LEU 109 HB3 LEU 109 6.576 0.900 3.679 712 HG LEU 109 HG LEU 109 5.821 -1.277 4.437 713 HD11 LEU 109 HD11 LEU 109 8.325 -1.356 6.191 714 HD12 LEU 109 HD12 LEU 109 6.936 -2.455 6.352 715 HD13 LEU 109 HD13 LEU 109 7.908 -2.492 4.885 716 HD21 LEU 109 HD21 LEU 109 6.686 0.434 6.785 717 HD22 LEU 109 HD22 LEU 109 5.254 0.726 5.769 718 HD23 LEU 109 HD23 LEU 109 5.339 -0.734 6.778 719 H ALA 110 H ALA 110 7.595 0.474 0.733 720 HA ALA 110 HA ALA 110 5.487 -1.295 0.103 721 HB1 ALA 110 HB1 ALA 110 5.855 0.929 -0.926 722 HB2 ALA 110 HB2 ALA 110 7.311 0.310 -1.737 723 HB3 ALA 110 HB3 ALA 110 5.714 -0.338 -2.164 724 H THR 111 H THR 111 5.329 -3.180 -1.050 725 HA THR 111 HA THR 111 7.735 -4.545 -2.125 726 HB THR 111 HB THR 111 7.558 -5.020 0.286 727 HG1 THR 111 HG1 THR 111 7.843 -7.236 -0.021 728 HG21 THR 111 HG21 THR 111 5.864 -6.528 1.172 729 HG22 THR 111 HG22 THR 111 5.097 -5.047 0.588 730 HG23 THR 111 HG23 THR 111 4.997 -6.539 -0.376 731 HD1 48M 200 HD1 48M 200 2.892 14.935 -12.999 732 HD2 48M 200 HD2 48M 200 3.334 13.055 -9.145 733 HD3 48M 200 HD3 48M 200 -0.139 11.104 -9.353 734 HD4 48M 200 HD4 48M 200 2.249 12.132 -12.781 735 HD5 48M 200 HD5 48M 200 -1.710 14.079 -14.186 736 HE1 48M 200 HE1 48M 200 5.195 14.263 -13.584 737 HE2 48M 200 HE2 48M 200 5.613 12.351 -9.772 738 HE3 48M 200 HE3 48M 200 0.700 8.780 -9.479 739 HE5 48M 200 HE5 48M 200 -2.451 15.116 -16.271 740 HE6 48M 200 HE6 48M 200 0.484 18.198 -15.815 741 HZ2 48M 200 HZ2 48M 200 2.363 8.148 -11.215 742 HM21 48M 200 HM21 48M 200 2.086 19.702 -13.839 743 HM22 48M 200 HM22 48M 200 3.698 19.652 -14.562 744 HM23 48M 200 HM23 48M 200 2.287 19.346 -15.566 745 HM31 48M 200 HM31 48M 200 3.359 15.780 -15.126 746 HM32 48M 200 HM32 48M 200 2.601 16.912 -16.256 747 HM33 48M 200 HM33 48M 200 4.273 17.152 -15.752 748 HN1 48M 200 HN1 48M 200 -2.597 20.261 -12.395 749 H21 48M 200 H21 48M 200 -3.279 17.986 -12.186 750 H22 48M 200 H22 48M 200 -1.885 17.874 -13.276 751 H31 48M 200 H31 48M 200 -1.915 17.458 -10.258 752 H32 48M 200 H32 48M 200 -1.639 16.229 -11.471 753 H41 48M 200 H41 48M 200 1.125 19.381 -11.376 754 H42 48M 200 H42 48M 200 0.279 19.245 -9.817 755 H7 48M 200 H7 48M 200 -0.304 13.264 -10.196 756 H8 48M 200 H8 48M 200 1.431 14.580 -9.588 757 H9 48M 200 H9 48M 200 3.585 17.613 -13.434 Start of MODEL 4 1 H1 GLN 23 H GLN 23 9.801 15.340 12.767 2 HA GLN 23 HA GLN 23 11.012 15.187 10.796 3 HB2 GLN 23 HB2 GLN 23 12.364 13.038 12.487 4 HB3 GLN 23 HB3 GLN 23 13.127 13.904 11.159 5 HG2 GLN 23 HG2 GLN 23 12.177 15.169 13.767 6 HG3 GLN 23 HG3 GLN 23 13.828 14.724 13.380 7 HE21 GLN 23 HE22 GLN 23 13.422 17.310 14.142 8 HE22 GLN 23 HE21 GLN 23 13.569 18.366 12.743 9 H ILE 24 H ILE 24 8.743 13.340 10.905 10 HA ILE 24 HA ILE 24 7.632 11.682 9.879 11 HB ILE 24 HB ILE 24 9.639 12.365 7.778 12 HG12 ILE 24 HG12 ILE 24 6.698 13.070 7.636 13 HG13 ILE 24 HG13 ILE 24 7.765 14.050 8.647 14 HG21 ILE 24 HG21 ILE 24 8.019 11.396 6.071 15 HG22 ILE 24 HG22 ILE 24 8.871 10.227 7.066 16 HG23 ILE 24 HG23 ILE 24 7.163 10.630 7.413 17 HD11 ILE 24 HD11 ILE 24 8.002 13.650 5.645 18 HD12 ILE 24 HD12 ILE 24 7.532 15.119 6.512 19 HD13 ILE 24 HD13 ILE 24 9.194 14.514 6.652 20 H ASN 25 H ASN 25 7.444 9.512 9.299 21 HA ASN 25 HA ASN 25 9.690 7.882 10.325 22 HB2 ASN 25 HB2 ASN 25 6.770 7.083 10.156 23 HB3 ASN 25 HB3 ASN 25 8.053 6.321 11.098 24 HD21 ASN 25 HD22 ASN 25 9.196 8.275 12.603 25 HD22 ASN 25 HD21 ASN 25 7.979 9.161 13.507 26 H GLN 26 H GLN 26 10.323 8.498 7.986 27 HA GLN 26 HA GLN 26 9.954 6.192 6.243 28 HB2 GLN 26 HB2 GLN 26 8.372 8.481 5.787 29 HB3 GLN 26 HB3 GLN 26 9.613 8.461 4.544 30 HG2 GLN 26 HG2 GLN 26 7.570 6.326 5.256 31 HG3 GLN 26 HG3 GLN 26 7.816 7.190 3.742 32 HE21 GLN 26 HE22 GLN 26 8.399 4.200 5.268 33 HE22 GLN 26 HE21 GLN 26 9.610 3.650 4.123 34 H VAL 27 H VAL 27 11.230 6.927 3.980 35 HA VAL 27 HA VAL 27 14.012 7.239 4.982 36 HB VAL 27 HB VAL 27 12.885 5.810 2.517 37 HG11 VAL 27 HG11 VAL 27 15.081 4.621 2.433 38 HG12 VAL 27 HG12 VAL 27 15.225 6.332 2.076 39 HG13 VAL 27 HG13 VAL 27 15.703 5.714 3.682 40 HG21 VAL 27 HG21 VAL 27 13.867 4.652 5.165 41 HG22 VAL 27 HG22 VAL 27 12.190 4.641 4.576 42 HG23 VAL 27 HG23 VAL 27 13.414 3.703 3.732 43 H ARG 28 H ARG 28 15.648 8.171 3.835 44 HA ARG 28 HA ARG 28 14.821 10.479 2.229 45 HB2 ARG 28 HB2 ARG 28 17.035 11.360 2.659 46 HB3 ARG 28 HB3 ARG 28 16.163 10.984 4.140 47 HG2 ARG 28 HG2 ARG 28 17.559 9.124 4.644 48 HG3 ARG 28 HG3 ARG 28 18.223 9.057 3.009 49 HD2 ARG 28 HD2 ARG 28 19.862 9.964 4.544 50 HD3 ARG 28 HD3 ARG 28 19.417 11.136 3.313 51 HE ARG 28 HE ARG 28 18.396 11.150 6.149 52 HH11 ARG 28 HH11 ARG 28 19.501 13.043 3.395 53 HH12 ARG 28 HH12 ARG 28 19.211 14.561 4.222 54 HH21 ARG 28 HH21 ARG 28 18.155 13.123 7.144 55 HH22 ARG 28 HH22 ARG 28 18.484 14.598 6.265 56 HA PRO 29 HA PRO 29 16.623 8.782 -1.552 57 HB2 PRO 29 HB2 PRO 29 16.824 11.599 -2.480 58 HB3 PRO 29 HB3 PRO 29 15.953 10.236 -3.227 59 HG2 PRO 29 HG2 PRO 29 14.655 12.287 -1.966 60 HG3 PRO 29 HG3 PRO 29 14.042 10.605 -1.925 61 HD2 PRO 29 HD2 PRO 29 15.609 12.089 0.201 62 HD3 PRO 29 HD3 PRO 29 14.189 11.006 0.356 63 H LYS 30 H LYS 30 18.644 9.213 -2.844 64 HA LYS 30 HA LYS 30 20.940 9.880 -1.142 65 HB2 LYS 30 HB2 LYS 30 20.684 8.151 -3.185 66 HB3 LYS 30 HB3 LYS 30 21.246 9.557 -4.115 67 HG2 LYS 30 HG2 LYS 30 23.116 9.603 -2.216 68 HG3 LYS 30 HG3 LYS 30 22.573 7.925 -1.964 69 HD2 LYS 30 HD2 LYS 30 23.171 7.319 -4.230 70 HD3 LYS 30 HD3 LYS 30 23.514 9.014 -4.655 71 HE2 LYS 30 HE2 LYS 30 25.339 9.102 -3.005 72 HE3 LYS 30 HE3 LYS 30 24.995 7.442 -2.498 73 HZ1 LYS 30 HZ1 LYS 30 25.921 8.228 -5.219 74 HZ2 LYS 30 HZ2 LYS 30 26.838 7.511 -4.078 75 HZ3 LYS 30 HZ3 LYS 30 25.597 6.695 -4.747 76 H LEU 31 H LEU 31 22.509 11.497 -1.678 77 HA LEU 31 HA LEU 31 21.575 14.034 -1.517 78 HB2 LEU 31 HB2 LEU 31 23.757 13.341 -0.829 79 HB3 LEU 31 HB3 LEU 31 24.254 12.976 -2.473 80 HG LEU 31 HG LEU 31 24.183 15.373 -3.049 81 HD11 LEU 31 HD11 LEU 31 23.553 15.783 -0.089 82 HD12 LEU 31 HD12 LEU 31 24.023 17.066 -1.225 83 HD13 LEU 31 HD13 LEU 31 22.495 16.209 -1.452 84 HD21 LEU 31 HD21 LEU 31 25.826 14.749 -0.561 85 HD22 LEU 31 HD22 LEU 31 26.268 14.339 -2.233 86 HD23 LEU 31 HD23 LEU 31 26.159 16.036 -1.741 87 HA PRO 32 HA PRO 32 22.103 15.316 -6.085 88 HB2 PRO 32 HB2 PRO 32 22.251 13.441 -8.097 89 HB3 PRO 32 HB3 PRO 32 23.660 14.165 -7.276 90 HG2 PRO 32 HG2 PRO 32 22.304 11.510 -6.688 91 HG3 PRO 32 HG3 PRO 32 24.056 11.839 -6.872 92 HD2 PRO 32 HD2 PRO 32 22.924 11.667 -4.432 93 HD3 PRO 32 HD3 PRO 32 24.173 12.900 -4.768 94 H LEU 33 H LEU 33 20.163 12.362 -5.451 95 HA LEU 33 HA LEU 33 18.091 13.236 -7.348 96 HB2 LEU 33 HB2 LEU 33 18.460 10.795 -5.614 97 HB3 LEU 33 HB3 LEU 33 16.848 11.236 -6.170 98 HG LEU 33 HG LEU 33 17.765 11.401 -8.505 99 HD11 LEU 33 HD11 LEU 33 20.131 11.508 -8.185 100 HD12 LEU 33 HD12 LEU 33 20.146 9.933 -7.358 101 HD13 LEU 33 HD13 LEU 33 19.748 10.042 -9.085 102 HD21 LEU 33 HD21 LEU 33 18.049 8.554 -7.656 103 HD22 LEU 33 HD22 LEU 33 16.470 9.377 -7.533 104 HD23 LEU 33 HD23 LEU 33 17.308 9.234 -9.082 105 H LEU 34 H LEU 34 18.466 13.272 -3.803 106 HA LEU 34 HA LEU 34 15.959 14.455 -3.118 107 HB2 LEU 34 HB2 LEU 34 17.654 13.537 -1.548 108 HB3 LEU 34 HB3 LEU 34 18.775 14.816 -1.968 109 HG LEU 34 HG LEU 34 17.381 16.499 -0.893 110 HD11 LEU 34 HD11 LEU 34 15.118 15.674 -1.270 111 HD12 LEU 34 HD12 LEU 34 15.443 14.217 -0.303 112 HD13 LEU 34 HD13 LEU 34 15.392 15.816 0.462 113 HD21 LEU 34 HD21 LEU 34 17.590 15.716 1.418 114 HD22 LEU 34 HD22 LEU 34 17.704 14.030 0.866 115 HD23 LEU 34 HD23 LEU 34 18.988 15.195 0.469 116 H LYS 35 H LYS 35 18.819 15.940 -4.621 117 HA LYS 35 HA LYS 35 18.279 18.638 -4.053 118 HB2 LYS 35 HB2 LYS 35 20.294 17.293 -5.323 119 HB3 LYS 35 HB3 LYS 35 19.441 17.886 -6.740 120 HG2 LYS 35 HG2 LYS 35 21.017 19.590 -6.248 121 HG3 LYS 35 HG3 LYS 35 19.501 20.207 -5.595 122 HD2 LYS 35 HD2 LYS 35 20.921 20.583 -3.769 123 HD3 LYS 35 HD3 LYS 35 20.277 18.989 -3.367 124 HE2 LYS 35 HE2 LYS 35 22.578 18.839 -2.935 125 HE3 LYS 35 HE3 LYS 35 22.326 17.948 -4.436 126 HZ1 LYS 35 HZ1 LYS 35 23.360 20.745 -4.242 127 HZ2 LYS 35 HZ2 LYS 35 24.272 19.433 -4.553 128 HZ3 LYS 35 HZ3 LYS 35 23.169 19.928 -5.645 129 H ILE 36 H ILE 36 16.844 16.623 -6.581 130 HA ILE 36 HA ILE 36 15.489 18.697 -8.026 131 HB ILE 36 HB ILE 36 14.917 15.732 -7.645 132 HG12 ILE 36 HG12 ILE 36 15.813 15.564 -9.920 133 HG13 ILE 36 HG13 ILE 36 16.220 17.282 -9.913 134 HG21 ILE 36 HG21 ILE 36 13.541 15.970 -9.717 135 HG22 ILE 36 HG22 ILE 36 12.849 16.849 -8.361 136 HG23 ILE 36 HG23 ILE 36 13.728 17.730 -9.630 137 HD11 ILE 36 HD11 ILE 36 18.108 15.653 -9.705 138 HD12 ILE 36 HD12 ILE 36 18.053 16.839 -8.408 139 HD13 ILE 36 HD13 ILE 36 17.456 15.181 -8.131 140 H LEU 37 H LEU 37 14.505 16.622 -5.237 141 HA LEU 37 HA LEU 37 11.811 17.599 -4.985 142 HB2 LEU 37 HB2 LEU 37 13.740 16.310 -2.999 143 HB3 LEU 37 HB3 LEU 37 12.070 16.658 -2.641 144 HG LEU 37 HG LEU 37 11.293 15.024 -4.247 145 HD11 LEU 37 HD11 LEU 37 14.200 14.376 -4.795 146 HD12 LEU 37 HD12 LEU 37 12.816 13.381 -5.276 147 HD13 LEU 37 HD13 LEU 37 13.009 14.977 -5.986 148 HD21 LEU 37 HD21 LEU 37 13.456 14.070 -2.375 149 HD22 LEU 37 HD22 LEU 37 11.759 14.365 -1.953 150 HD23 LEU 37 HD23 LEU 37 12.174 13.032 -3.050 151 H HIS 38 H HIS 38 14.910 18.564 -3.467 152 HA HIS 38 HA HIS 38 13.775 20.715 -1.877 153 HB2 HIS 38 HB2 HIS 38 16.575 19.925 -2.756 154 HB3 HIS 38 HB3 HIS 38 16.274 21.407 -1.846 155 HD2 HIS 38 HD2 HIS 38 13.861 19.016 -0.483 156 HE1 HIS 38 HE1 HIS 38 17.272 18.589 2.028 157 HE2 HIS 38 HE2 HIS 38 14.764 18.107 1.804 158 H ALA 39 H ALA 39 15.243 20.696 -5.163 159 HA ALA 39 HA ALA 39 15.131 23.487 -5.611 160 HB1 ALA 39 HB1 ALA 39 16.386 21.978 -7.049 161 HB2 ALA 39 HB2 ALA 39 14.892 21.134 -7.516 162 HB3 ALA 39 HB3 ALA 39 15.155 22.817 -8.015 163 H ALA 40 H ALA 40 12.593 21.033 -5.693 164 HA ALA 40 HA ALA 40 10.638 22.917 -6.717 165 HB1 ALA 40 HB1 ALA 40 9.847 20.335 -5.408 166 HB2 ALA 40 HB2 ALA 40 9.239 21.137 -6.886 167 HB3 ALA 40 HB3 ALA 40 10.790 20.276 -6.898 168 H GLY 41 H GLY 41 11.845 22.134 -3.517 169 HA2 GLY 41 HA2 GLY 41 11.357 23.367 -1.578 170 HA3 GLY 41 HA3 GLY 41 9.804 23.871 -2.234 171 H ALA 42 H ALA 42 11.327 20.624 -1.649 172 HA ALA 42 HA ALA 42 8.945 19.448 -0.584 173 HB1 ALA 42 HB1 ALA 42 11.794 18.526 -0.106 174 HB2 ALA 42 HB2 ALA 42 10.316 17.564 -0.045 175 HB3 ALA 42 HB3 ALA 42 10.852 18.210 -1.595 176 H GLN 43 H GLN 43 8.650 18.534 1.559 177 HA GLN 43 HA GLN 43 9.079 20.649 3.579 178 HB2 GLN 43 HB2 GLN 43 6.791 19.809 2.700 179 HB3 GLN 43 HB3 GLN 43 7.050 18.409 3.742 180 HG2 GLN 43 HG2 GLN 43 7.231 19.985 5.709 181 HG3 GLN 43 HG3 GLN 43 6.998 21.346 4.612 182 HE21 GLN 43 HE22 GLN 43 5.388 18.393 5.919 183 HE22 GLN 43 HE21 GLN 43 3.762 19.000 5.636 184 H GLY 44 H GLY 44 11.232 18.787 3.088 185 HA2 GLY 44 HA2 GLY 44 12.303 18.172 5.542 186 HA3 GLY 44 HA3 GLY 44 11.253 16.795 5.228 187 H GLU 45 H GLU 45 13.121 15.550 5.331 188 HA GLU 45 HA GLU 45 14.498 15.234 2.683 189 HB2 GLU 45 HB2 GLU 45 15.696 14.760 5.436 190 HB3 GLU 45 HB3 GLU 45 16.459 14.366 3.893 191 HG2 GLU 45 HG2 GLU 45 16.397 16.797 3.288 192 HG3 GLU 45 HG3 GLU 45 15.796 17.156 4.914 193 H MET 46 H MET 46 12.624 13.749 5.168 194 HA MET 46 HA MET 46 13.095 10.934 4.175 195 HB2 MET 46 HB2 MET 46 12.368 12.088 6.893 196 HB3 MET 46 HB3 MET 46 12.013 10.439 6.443 197 HG2 MET 46 HG2 MET 46 14.036 10.335 7.625 198 HG3 MET 46 HG3 MET 46 14.439 10.067 5.937 199 HE1 MET 46 HE1 MET 46 14.654 12.420 9.045 200 HE2 MET 46 HE2 MET 46 15.483 13.860 8.415 201 HE3 MET 46 HE3 MET 46 13.809 13.523 7.936 202 H PHE 47 H PHE 47 11.379 10.388 2.822 203 HA PHE 47 HA PHE 47 8.597 10.972 3.725 204 HB2 PHE 47 HB2 PHE 47 8.742 11.568 0.907 205 HB3 PHE 47 HB3 PHE 47 8.114 12.512 2.236 206 HD1 PHE 47 HD2 PHE 47 11.520 11.499 0.942 207 HD2 PHE 47 HD1 PHE 47 8.948 14.680 2.330 208 HE1 PHE 47 HE2 PHE 47 13.283 13.135 0.483 209 HE2 PHE 47 HE1 PHE 47 10.712 16.340 1.798 210 HZ PHE 47 HZ PHE 47 12.876 15.589 0.829 211 H THR 48 H THR 48 6.933 9.957 2.452 212 HA THR 48 HA THR 48 7.529 7.206 1.561 213 HB THR 48 HB THR 48 5.036 7.162 1.115 214 HG1 THR 48 HG1 THR 48 5.109 9.730 2.325 215 HG21 THR 48 HG21 THR 48 5.822 6.403 3.299 216 HG22 THR 48 HG22 THR 48 5.767 8.063 3.923 217 HG23 THR 48 HG23 THR 48 4.265 7.250 3.392 218 H VAL 49 H VAL 49 6.642 6.352 -0.471 219 HA VAL 49 HA VAL 49 7.684 7.315 -2.802 220 HB VAL 49 HB VAL 49 6.890 5.076 -2.416 221 HG11 VAL 49 HG11 VAL 49 4.662 4.319 -2.706 222 HG12 VAL 49 HG12 VAL 49 4.675 5.501 -1.394 223 HG13 VAL 49 HG13 VAL 49 4.064 5.952 -3.012 224 HG21 VAL 49 HG21 VAL 49 5.647 6.286 -4.919 225 HG22 VAL 49 HG22 VAL 49 7.360 5.870 -4.717 226 HG23 VAL 49 HG23 VAL 49 6.135 4.595 -4.683 227 H LYS 50 H LYS 50 4.449 7.820 -1.510 228 HA LYS 50 HA LYS 50 3.422 9.244 -3.741 229 HB2 LYS 50 HB2 LYS 50 1.438 9.217 -2.514 230 HB3 LYS 50 HB3 LYS 50 2.280 7.743 -2.057 231 HG2 LYS 50 HG2 LYS 50 3.071 8.874 -0.004 232 HG3 LYS 50 HG3 LYS 50 2.094 10.298 -0.399 233 HD2 LYS 50 HD2 LYS 50 0.048 8.925 -0.256 234 HD3 LYS 50 HD3 LYS 50 1.032 7.473 0.063 235 HE2 LYS 50 HE2 LYS 50 1.962 8.548 2.103 236 HE3 LYS 50 HE3 LYS 50 0.982 9.987 1.800 237 HZ1 LYS 50 HZ1 LYS 50 -0.098 8.513 3.407 238 HZ2 LYS 50 HZ2 LYS 50 -1.020 8.609 2.066 239 HZ3 LYS 50 HZ3 LYS 50 -0.121 7.273 2.347 240 H GLU 51 H GLU 51 5.041 10.299 -0.820 241 HA GLU 51 HA GLU 51 4.596 13.169 -1.268 242 HB2 GLU 51 HB2 GLU 51 6.461 11.606 0.540 243 HB3 GLU 51 HB3 GLU 51 6.369 13.368 0.504 244 HG2 GLU 51 HG2 GLU 51 4.073 13.341 1.256 245 HG3 GLU 51 HG3 GLU 51 3.966 11.592 1.107 246 H VAL 52 H VAL 52 7.450 10.912 -1.659 247 HA VAL 52 HA VAL 52 9.179 12.857 -2.697 248 HB VAL 52 HB VAL 52 10.425 11.082 -3.782 249 HG11 VAL 52 HG11 VAL 52 9.670 10.347 -0.931 250 HG12 VAL 52 HG12 VAL 52 11.225 10.057 -1.730 251 HG13 VAL 52 HG13 VAL 52 10.726 11.719 -1.373 252 HG21 VAL 52 HG21 VAL 52 8.829 9.393 -4.420 253 HG22 VAL 52 HG22 VAL 52 10.042 8.721 -3.326 254 HG23 VAL 52 HG23 VAL 52 8.456 9.160 -2.693 255 H MET 53 H MET 53 7.167 10.635 -4.582 256 HA MET 53 HA MET 53 7.759 11.830 -7.092 257 HB2 MET 53 HB2 MET 53 6.066 10.568 -8.032 258 HB3 MET 53 HB3 MET 53 6.692 9.597 -6.699 259 HG2 MET 53 HG2 MET 53 4.707 10.493 -5.330 260 HG3 MET 53 HG3 MET 53 4.077 11.145 -6.839 261 HE1 MET 53 HE1 MET 53 3.533 7.861 -8.971 262 HE2 MET 53 HE2 MET 53 3.723 9.635 -9.013 263 HE3 MET 53 HE3 MET 53 5.144 8.584 -8.843 264 H HIS 54 H HIS 54 5.437 13.020 -4.659 265 HA HIS 54 HA HIS 54 3.925 14.704 -6.464 266 HB2 HIS 54 HB2 HIS 54 3.131 14.074 -4.215 267 HB3 HIS 54 HB3 HIS 54 4.431 15.009 -3.477 268 HD2 HIS 54 HD2 HIS 54 4.150 17.637 -3.319 269 HE1 HIS 54 HE1 HIS 54 0.339 17.972 -5.209 270 HE2 HIS 54 HE2 HIS 54 2.131 19.225 -3.899 271 H TYR 55 H TYR 55 6.902 15.264 -4.540 272 HA TYR 55 HA TYR 55 7.198 17.993 -5.342 273 HB2 TYR 55 HB2 TYR 55 9.456 16.103 -4.719 274 HB3 TYR 55 HB3 TYR 55 9.462 17.858 -4.577 275 HD1 TYR 55 HD1 TYR 55 7.330 18.734 -3.010 276 HD2 TYR 55 HD2 TYR 55 9.423 14.988 -2.700 277 HE1 TYR 55 HE1 TYR 55 6.454 18.439 -0.698 278 HE2 TYR 55 HE2 TYR 55 8.614 14.719 -0.372 279 HH TYR 55 HH TYR 55 6.372 17.071 1.162 280 H LEU 56 H LEU 56 7.890 15.014 -7.152 281 HA LEU 56 HA LEU 56 9.485 16.381 -9.205 282 HB2 LEU 56 HB2 LEU 56 7.882 13.829 -9.547 283 HB3 LEU 56 HB3 LEU 56 9.211 14.416 -10.542 284 HG LEU 56 HG LEU 56 9.359 13.347 -7.710 285 HD11 LEU 56 HD11 LEU 56 10.518 12.286 -10.313 286 HD12 LEU 56 HD12 LEU 56 10.627 11.542 -8.695 287 HD13 LEU 56 HD13 LEU 56 9.059 11.678 -9.501 288 HD21 LEU 56 HD21 LEU 56 11.061 15.114 -7.955 289 HD22 LEU 56 HD22 LEU 56 11.797 13.510 -7.876 290 HD23 LEU 56 HD23 LEU 56 11.654 14.331 -9.442 291 H GLY 57 H GLY 57 6.045 15.366 -8.881 292 HA2 GLY 57 HA2 GLY 57 5.023 16.455 -11.272 293 HA3 GLY 57 HA3 GLY 57 4.139 16.304 -9.748 294 H GLN 58 H GLN 58 5.299 18.098 -8.054 295 HA GLN 58 HA GLN 58 4.479 20.629 -9.103 296 HB2 GLN 58 HB2 GLN 58 4.592 21.422 -7.019 297 HB3 GLN 58 HB3 GLN 58 4.608 19.709 -6.631 298 HG2 GLN 58 HG2 GLN 58 7.187 19.928 -6.554 299 HG3 GLN 58 HG3 GLN 58 6.970 21.655 -6.706 300 HE21 GLN 58 HE22 GLN 58 7.767 22.196 -4.545 301 HE22 GLN 58 HE21 GLN 58 6.998 21.582 -3.102 302 H TYR 59 H TYR 59 7.798 19.206 -8.810 303 HA TYR 59 HA TYR 59 9.238 21.517 -9.469 304 HB2 TYR 59 HB2 TYR 59 10.294 19.399 -8.733 305 HB3 TYR 59 HB3 TYR 59 9.794 18.604 -10.187 306 HD1 TYR 59 HD1 TYR 59 10.730 19.353 -12.419 307 HD2 TYR 59 HD2 TYR 59 12.412 20.595 -8.642 308 HE1 TYR 59 HE1 TYR 59 12.929 19.740 -13.525 309 HE2 TYR 59 HE2 TYR 59 14.618 20.916 -9.751 310 HH TYR 59 HH TYR 59 15.842 20.751 -11.695 311 H ILE 60 H ILE 60 7.842 18.946 -11.603 312 HA ILE 60 HA ILE 60 8.609 20.127 -14.099 313 HB ILE 60 HB ILE 60 6.256 18.324 -13.426 314 HG12 ILE 60 HG12 ILE 60 8.798 17.354 -14.749 315 HG13 ILE 60 HG13 ILE 60 8.774 17.553 -13.002 316 HG21 ILE 60 HG21 ILE 60 7.517 19.083 -16.107 317 HG22 ILE 60 HG22 ILE 60 6.458 17.661 -15.882 318 HG23 ILE 60 HG23 ILE 60 5.836 19.276 -15.564 319 HD11 ILE 60 HD11 ILE 60 8.164 15.314 -13.397 320 HD12 ILE 60 HD12 ILE 60 6.688 16.140 -12.893 321 HD13 ILE 60 HD13 ILE 60 6.932 15.757 -14.608 322 H MET 61 H MET 61 5.615 20.494 -12.140 323 HA MET 61 HA MET 61 4.254 22.120 -14.012 324 HB2 MET 61 HB2 MET 61 3.300 20.910 -12.013 325 HB3 MET 61 HB3 MET 61 3.983 22.165 -10.975 326 HG2 MET 61 HG2 MET 61 1.639 22.622 -11.395 327 HG3 MET 61 HG3 MET 61 2.620 23.867 -12.157 328 HE1 MET 61 HE1 MET 61 0.872 24.167 -15.387 329 HE2 MET 61 HE2 MET 61 0.833 24.803 -13.726 330 HE3 MET 61 HE3 MET 61 2.388 24.582 -14.559 331 H VAL 62 H VAL 62 6.470 23.108 -11.339 332 HA VAL 62 HA VAL 62 6.182 25.948 -11.966 333 HB VAL 62 HB VAL 62 6.653 25.068 -9.700 334 HG11 VAL 62 HG11 VAL 62 8.918 24.587 -8.961 335 HG12 VAL 62 HG12 VAL 62 8.413 23.410 -10.158 336 HG13 VAL 62 HG13 VAL 62 9.536 24.703 -10.619 337 HG21 VAL 62 HG21 VAL 62 7.075 27.436 -10.307 338 HG22 VAL 62 HG22 VAL 62 8.181 26.837 -9.047 339 HG23 VAL 62 HG23 VAL 62 8.754 26.998 -10.725 340 H LYS 63 H LYS 63 8.595 23.508 -12.739 341 HA LYS 63 HA LYS 63 10.258 25.305 -14.326 342 HB2 LYS 63 HB2 LYS 63 10.227 22.274 -14.136 343 HB3 LYS 63 HB3 LYS 63 11.450 23.227 -14.972 344 HG2 LYS 63 HG2 LYS 63 10.920 23.317 -11.985 345 HG3 LYS 63 HG3 LYS 63 12.258 22.528 -12.807 346 HD2 LYS 63 HD2 LYS 63 12.908 24.878 -13.676 347 HD3 LYS 63 HD3 LYS 63 11.693 25.498 -12.545 348 HE2 LYS 63 HE2 LYS 63 13.608 25.605 -11.243 349 HE3 LYS 63 HE3 LYS 63 12.891 24.069 -10.737 350 HZ1 LYS 63 HZ1 LYS 63 15.119 24.402 -12.707 351 HZ2 LYS 63 HZ2 LYS 63 15.287 23.845 -11.189 352 HZ3 LYS 63 HZ3 LYS 63 14.479 22.952 -12.303 353 H GLN 64 H GLN 64 7.344 23.738 -15.103 354 HA GLN 64 HA GLN 64 6.241 23.038 -16.804 355 HB2 GLN 64 HB2 GLN 64 5.865 24.615 -18.669 356 HB3 GLN 64 HB3 GLN 64 5.557 25.225 -17.050 357 HG2 GLN 64 HG2 GLN 64 8.295 25.635 -18.064 358 HG3 GLN 64 HG3 GLN 64 7.059 26.523 -18.958 359 HE21 GLN 64 HE21 GLN 64 9.231 26.928 -16.473 360 HE22 GLN 64 HE22 GLN 64 8.319 28.035 -15.465 361 H LEU 65 H LEU 65 7.746 21.258 -16.818 362 HA LEU 65 HA LEU 65 9.453 21.167 -19.218 363 HB2 LEU 65 HB2 LEU 65 9.556 19.362 -16.780 364 HB3 LEU 65 HB3 LEU 65 10.538 19.188 -18.215 365 HG LEU 65 HG LEU 65 10.634 21.486 -16.258 366 HD11 LEU 65 HD11 LEU 65 11.642 19.387 -15.486 367 HD12 LEU 65 HD12 LEU 65 12.646 19.320 -16.955 368 HD13 LEU 65 HD13 LEU 65 12.876 20.628 -15.778 369 HD21 LEU 65 HD21 LEU 65 11.146 22.404 -18.467 370 HD22 LEU 65 HD22 LEU 65 12.639 22.240 -17.545 371 HD23 LEU 65 HD23 LEU 65 12.251 21.048 -18.803 372 H TYR 66 H TYR 66 6.620 21.060 -19.431 373 HA TYR 66 HA TYR 66 6.321 18.311 -20.495 374 HB2 TYR 66 HB2 TYR 66 3.848 18.640 -20.280 375 HB3 TYR 66 HB3 TYR 66 4.757 18.448 -18.794 376 HD1 TYR 66 HD1 TYR 66 2.948 20.943 -20.918 377 HD2 TYR 66 HD2 TYR 66 4.920 20.139 -17.204 378 HE1 TYR 66 HE1 TYR 66 2.264 23.182 -20.107 379 HE2 TYR 66 HE2 TYR 66 4.085 22.347 -16.284 380 HH TYR 66 HH TYR 66 2.222 24.640 -18.316 381 H ASP 67 H ASP 67 4.842 18.049 -22.363 382 HA ASP 67 HA ASP 67 5.511 19.864 -24.537 383 HB2 ASP 67 HB2 ASP 67 5.032 17.297 -24.581 384 HB3 ASP 67 HB3 ASP 67 3.331 17.787 -24.617 385 H GLN 68 H GLN 68 4.341 21.508 -25.364 386 HA GLN 68 HA GLN 68 2.057 22.720 -24.257 387 HB2 GLN 68 HB2 GLN 68 2.196 22.931 -27.202 388 HB3 GLN 68 HB3 GLN 68 2.163 24.165 -25.981 389 HG2 GLN 68 HG2 GLN 68 4.239 24.654 -26.559 390 HG3 GLN 68 HG3 GLN 68 4.811 23.181 -25.813 391 HE21 GLN 68 HE22 GLN 68 4.441 21.057 -27.565 392 HE22 GLN 68 HE21 GLN 68 5.027 21.536 -29.138 393 H GLN 69 H GLN 69 2.284 20.102 -26.688 394 HA GLN 69 HA GLN 69 -0.537 20.166 -27.416 395 HB2 GLN 69 HB2 GLN 69 1.592 18.062 -27.958 396 HB3 GLN 69 HB3 GLN 69 0.021 18.196 -28.733 397 HG2 GLN 69 HG2 GLN 69 2.365 20.091 -29.000 398 HG3 GLN 69 HG3 GLN 69 1.673 19.064 -30.246 399 HE21 GLN 69 HE22 GLN 69 1.728 22.210 -29.026 400 HE22 GLN 69 HE21 GLN 69 0.249 22.803 -29.763 401 H GLU 70 H GLU 70 1.384 18.437 -25.087 402 HA GLU 70 HA GLU 70 -0.993 17.159 -23.868 403 HB2 GLU 70 HB2 GLU 70 1.384 15.555 -24.893 404 HB3 GLU 70 HB3 GLU 70 0.334 15.013 -23.577 405 HG2 GLU 70 HG2 GLU 70 -1.639 15.188 -25.101 406 HG3 GLU 70 HG3 GLU 70 -0.533 15.553 -26.432 407 H GLN 71 H GLN 71 -0.793 18.405 -22.074 408 HA GLN 71 HA GLN 71 1.618 19.236 -20.837 409 HB2 GLN 71 HB2 GLN 71 -1.078 18.793 -19.557 410 HB3 GLN 71 HB3 GLN 71 0.158 19.920 -18.992 411 HG2 GLN 71 HG2 GLN 71 -1.470 20.176 -21.578 412 HG3 GLN 71 HG3 GLN 71 -1.757 20.995 -20.053 413 HE21 GLN 71 HE22 GLN 71 1.000 20.759 -22.506 414 HE22 GLN 71 HE21 GLN 71 1.275 22.477 -22.330 415 H HIS 72 H HIS 72 0.116 16.193 -20.709 416 HA HIS 72 HA HIS 72 1.336 15.284 -18.213 417 HB2 HIS 72 HB2 HIS 72 0.037 13.177 -18.927 418 HB3 HIS 72 HB3 HIS 72 -0.848 14.574 -18.351 419 HD2 HIS 72 HD2 HIS 72 -1.607 12.035 -20.501 420 HE1 HIS 72 HE1 HIS 72 -2.981 15.410 -22.738 421 HE2 HIS 72 HE2 HIS 72 -3.145 12.869 -22.496 422 H MET 73 H MET 73 2.404 15.537 -21.364 423 HA MET 73 HA MET 73 4.255 13.192 -21.201 424 HB2 MET 73 HB2 MET 73 3.738 15.205 -23.432 425 HB3 MET 73 HB3 MET 73 4.961 13.944 -23.474 426 HG2 MET 73 HG2 MET 73 1.966 13.500 -23.274 427 HG3 MET 73 HG3 MET 73 2.932 13.347 -24.735 428 HE1 MET 73 HE1 MET 73 4.814 11.492 -25.092 429 HE2 MET 73 HE2 MET 73 5.600 11.742 -23.514 430 HE3 MET 73 HE3 MET 73 5.076 10.118 -23.997 431 H VAL 74 H VAL 74 6.191 13.541 -20.292 432 HA VAL 74 HA VAL 74 6.984 16.352 -19.630 433 HB VAL 74 HB VAL 74 7.890 13.784 -18.289 434 HG11 VAL 74 HG11 VAL 74 8.452 15.349 -16.446 435 HG12 VAL 74 HG12 VAL 74 9.296 15.784 -17.928 436 HG13 VAL 74 HG13 VAL 74 7.880 16.715 -17.427 437 HG21 VAL 74 HG21 VAL 74 5.445 13.915 -17.969 438 HG22 VAL 74 HG22 VAL 74 6.265 14.358 -16.477 439 HG23 VAL 74 HG23 VAL 74 5.574 15.629 -17.512 440 H TYR 75 H TYR 75 9.031 17.061 -20.178 441 HA TYR 75 HA TYR 75 10.968 15.293 -21.619 442 HB2 TYR 75 HB2 TYR 75 9.815 17.952 -22.499 443 HB3 TYR 75 HB3 TYR 75 11.303 17.263 -23.155 444 HD1 TYR 75 HD2 TYR 75 11.288 14.935 -24.124 445 HD2 TYR 75 HD1 TYR 75 7.656 17.104 -23.268 446 HE1 TYR 75 HE2 TYR 75 10.003 13.284 -25.433 447 HE2 TYR 75 HE1 TYR 75 6.372 15.469 -24.647 448 HH TYR 75 HH TYR 75 7.922 12.662 -26.243 449 H CYS 76 H CYS 76 12.655 15.247 -20.316 450 HA CYS 76 HA CYS 76 13.565 17.626 -18.768 451 HB2 CYS 76 HB2 CYS 76 13.808 14.664 -18.099 452 HB3 CYS 76 HB3 CYS 76 14.288 16.026 -17.073 453 HG CYS 76 HG CYS 76 11.852 17.122 -17.006 454 H GLY 77 H GLY 77 14.565 16.564 -21.539 455 HA2 GLY 77 HA2 GLY 77 17.110 15.409 -21.304 456 HA3 GLY 77 HA3 GLY 77 16.613 16.461 -22.627 457 H GLY 78 H GLY 78 18.711 16.094 -20.013 458 HA2 GLY 78 HA2 GLY 78 20.617 17.349 -19.532 459 HA3 GLY 78 HA3 GLY 78 19.963 18.731 -20.402 460 H ASP 79 H ASP 79 17.486 17.806 -18.253 461 HA ASP 79 HA ASP 79 18.157 19.921 -16.352 462 HB2 ASP 79 HB2 ASP 79 15.759 18.113 -16.850 463 HB3 ASP 79 HB3 ASP 79 15.847 19.286 -15.572 464 H LEU 80 H LEU 80 17.948 19.589 -14.003 465 HA LEU 80 HA LEU 80 19.472 17.426 -12.955 466 HB2 LEU 80 HB2 LEU 80 18.449 19.834 -11.967 467 HB3 LEU 80 HB3 LEU 80 17.440 18.636 -11.156 468 HG LEU 80 HG LEU 80 19.585 17.516 -10.335 469 HD11 LEU 80 HD11 LEU 80 21.657 18.881 -10.385 470 HD12 LEU 80 HD12 LEU 80 21.171 18.439 -12.022 471 HD13 LEU 80 HD13 LEU 80 20.856 20.080 -11.424 472 HD21 LEU 80 HD21 LEU 80 20.027 19.247 -8.622 473 HD22 LEU 80 HD22 LEU 80 19.205 20.465 -9.616 474 HD23 LEU 80 HD23 LEU 80 18.284 19.115 -8.928 475 H LEU 81 H LEU 81 15.920 17.940 -12.900 476 HA LEU 81 HA LEU 81 15.124 15.512 -11.911 477 HB2 LEU 81 HB2 LEU 81 13.593 17.327 -12.358 478 HB3 LEU 81 HB3 LEU 81 13.916 17.253 -14.090 479 HG LEU 81 HG LEU 81 12.806 14.998 -14.173 480 HD11 LEU 81 HD11 LEU 81 13.082 14.423 -11.723 481 HD12 LEU 81 HD12 LEU 81 11.873 15.668 -11.350 482 HD13 LEU 81 HD13 LEU 81 11.425 14.249 -12.322 483 HD21 LEU 81 HD21 LEU 81 11.058 17.149 -12.945 484 HD22 LEU 81 HD22 LEU 81 11.589 17.143 -14.638 485 HD23 LEU 81 HD23 LEU 81 10.564 15.829 -14.035 486 H GLY 82 H GLY 82 16.196 16.152 -15.255 487 HA2 GLY 82 HA2 GLY 82 15.564 13.554 -16.377 488 HA3 GLY 82 HA3 GLY 82 16.680 14.763 -17.032 489 H GLU 83 H GLU 83 18.504 14.954 -14.800 490 HA GLU 83 HA GLU 83 20.117 12.590 -15.143 491 HB2 GLU 83 HB2 GLU 83 21.649 14.029 -14.543 492 HB3 GLU 83 HB3 GLU 83 20.445 15.237 -14.119 493 HG2 GLU 83 HG2 GLU 83 20.309 14.399 -11.846 494 HG3 GLU 83 HG3 GLU 83 21.458 13.101 -12.204 495 H LEU 84 H LEU 84 17.894 13.642 -12.526 496 HA LEU 84 HA LEU 84 18.284 11.424 -10.813 497 HB2 LEU 84 HB2 LEU 84 17.206 13.258 -9.948 498 HB3 LEU 84 HB3 LEU 84 16.135 13.478 -11.300 499 HG LEU 84 HG LEU 84 15.767 11.125 -9.412 500 HD11 LEU 84 HD11 LEU 84 14.226 12.477 -8.142 501 HD12 LEU 84 HD12 LEU 84 15.774 13.329 -8.196 502 HD13 LEU 84 HD13 LEU 84 14.446 13.845 -9.258 503 HD21 LEU 84 HD21 LEU 84 13.311 11.646 -10.132 504 HD22 LEU 84 HD22 LEU 84 14.056 12.514 -11.481 505 HD23 LEU 84 HD23 LEU 84 14.352 10.783 -11.256 506 H LEU 85 H LEU 85 16.073 11.813 -13.571 507 HA LEU 85 HA LEU 85 14.933 9.167 -13.340 508 HB2 LEU 85 HB2 LEU 85 14.981 11.298 -15.500 509 HB3 LEU 85 HB3 LEU 85 14.219 9.748 -15.802 510 HG LEU 85 HG LEU 85 13.465 11.336 -13.338 511 HD11 LEU 85 HD11 LEU 85 13.214 12.843 -15.251 512 HD12 LEU 85 HD12 LEU 85 12.255 11.607 -16.092 513 HD13 LEU 85 HD13 LEU 85 11.660 12.338 -14.570 514 HD21 LEU 85 HD21 LEU 85 11.351 10.130 -13.560 515 HD22 LEU 85 HD22 LEU 85 11.893 9.382 -15.073 516 HD23 LEU 85 HD23 LEU 85 12.678 8.957 -13.539 517 H GLY 86 H GLY 86 17.646 10.369 -15.317 518 HA2 GLY 86 HA2 GLY 86 19.345 9.139 -16.360 519 HA3 GLY 86 HA3 GLY 86 18.544 7.620 -15.946 520 H ARG 87 H ARG 87 16.340 9.790 -17.295 521 HA ARG 87 HA ARG 87 16.720 9.195 -20.141 522 HB2 ARG 87 HB2 ARG 87 14.434 8.354 -20.440 523 HB3 ARG 87 HB3 ARG 87 15.500 7.236 -19.607 524 HG2 ARG 87 HG2 ARG 87 13.586 8.988 -18.047 525 HG3 ARG 87 HG3 ARG 87 13.014 7.523 -18.830 526 HD2 ARG 87 HD2 ARG 87 15.417 7.414 -17.013 527 HD3 ARG 87 HD3 ARG 87 13.788 7.420 -16.339 528 HE ARG 87 HE ARG 87 13.982 5.387 -18.348 529 HH11 ARG 87 HH11 ARG 87 15.369 5.989 -15.137 530 HH12 ARG 87 HH12 ARG 87 15.259 4.261 -14.750 531 HH21 ARG 87 HH21 ARG 87 14.055 3.192 -17.672 532 HH22 ARG 87 HH22 ARG 87 14.658 2.861 -16.047 533 H GLN 88 H GLN 88 15.872 10.617 -21.459 534 HA GLN 88 HA GLN 88 15.315 13.252 -20.375 535 HB2 GLN 88 HB2 GLN 88 15.340 13.965 -22.651 536 HB3 GLN 88 HB3 GLN 88 16.688 12.857 -22.362 537 HG2 GLN 88 HG2 GLN 88 15.519 11.069 -23.579 538 HG3 GLN 88 HG3 GLN 88 14.086 12.088 -23.763 539 HE21 GLN 88 HE22 GLN 88 14.326 14.133 -25.080 540 HE22 GLN 88 HE21 GLN 88 15.514 14.109 -26.376 541 H SER 89 H SER 89 13.202 10.698 -21.133 542 HA SER 89 HA SER 89 10.923 12.520 -20.639 543 HB2 SER 89 HB2 SER 89 9.650 11.960 -22.640 544 HB3 SER 89 HB3 SER 89 11.189 12.709 -23.081 545 HG SER 89 HG SER 89 12.000 10.646 -23.616 546 H PHE 90 H PHE 90 8.927 11.686 -20.345 547 HA PHE 90 HA PHE 90 8.183 8.918 -20.137 548 HB2 PHE 90 HB2 PHE 90 7.967 8.731 -17.766 549 HB3 PHE 90 HB3 PHE 90 9.644 9.077 -18.125 550 HD1 PHE 90 HD2 PHE 90 10.473 11.525 -17.864 551 HD2 PHE 90 HD1 PHE 90 6.769 10.055 -16.211 552 HE1 PHE 90 HE2 PHE 90 10.439 13.410 -16.282 553 HE2 PHE 90 HE1 PHE 90 6.752 11.915 -14.593 554 HZ PHE 90 HZ PHE 90 8.631 13.563 -14.547 555 H SER 91 H SER 91 5.903 9.027 -18.718 556 HA SER 91 HA SER 91 4.605 11.677 -18.980 557 HB2 SER 91 HB2 SER 91 2.747 10.788 -20.170 558 HB3 SER 91 HB3 SER 91 4.196 10.241 -21.040 559 HG SER 91 HG SER 91 3.129 8.380 -20.806 560 H VAL 92 H VAL 92 2.482 11.775 -17.785 561 HA VAL 92 HA VAL 92 2.506 10.351 -15.316 562 HB VAL 92 HB VAL 92 0.643 11.499 -14.752 563 HG11 VAL 92 HG11 VAL 92 2.541 13.004 -15.200 564 HG12 VAL 92 HG12 VAL 92 1.834 13.386 -16.787 565 HG13 VAL 92 HG13 VAL 92 0.964 13.794 -15.309 566 HG21 VAL 92 HG21 VAL 92 -0.860 12.692 -16.495 567 HG22 VAL 92 HG22 VAL 92 -0.160 11.515 -17.643 568 HG23 VAL 92 HG23 VAL 92 -1.056 10.960 -16.230 569 H LYS 93 H LYS 93 1.562 9.310 -18.417 570 HA LYS 93 HA LYS 93 -0.441 7.312 -17.610 571 HB2 LYS 93 HB2 LYS 93 1.116 7.276 -20.204 572 HB3 LYS 93 HB3 LYS 93 -0.479 6.640 -19.861 573 HG2 LYS 93 HG2 LYS 93 -1.349 9.006 -19.730 574 HG3 LYS 93 HG3 LYS 93 0.269 9.582 -20.193 575 HD2 LYS 93 HD2 LYS 93 0.112 8.125 -22.276 576 HD3 LYS 93 HD3 LYS 93 -1.536 7.730 -21.803 577 HE2 LYS 93 HE2 LYS 93 -1.822 9.372 -23.412 578 HE3 LYS 93 HE3 LYS 93 -2.059 10.240 -21.900 579 HZ1 LYS 93 HZ1 LYS 93 -0.600 11.431 -23.533 580 HZ2 LYS 93 HZ2 LYS 93 0.227 11.123 -22.151 581 HZ3 LYS 93 HZ3 LYS 93 0.470 10.210 -23.494 582 H ASP 94 H ASP 94 3.024 7.536 -17.971 583 HA ASP 94 HA ASP 94 3.399 4.605 -17.513 584 HB2 ASP 94 HB2 ASP 94 3.816 5.274 -19.811 585 HB3 ASP 94 HB3 ASP 94 4.932 6.534 -19.279 586 HA PRO 95 HA PRO 95 5.653 6.745 -14.079 587 HB2 PRO 95 HB2 PRO 95 4.845 5.255 -11.993 588 HB3 PRO 95 HB3 PRO 95 3.764 6.453 -12.759 589 HG2 PRO 95 HG2 PRO 95 3.871 3.461 -13.289 590 HG3 PRO 95 HG3 PRO 95 2.432 4.462 -12.902 591 HD2 PRO 95 HD2 PRO 95 3.123 3.846 -15.470 592 HD3 PRO 95 HD3 PRO 95 2.414 5.434 -15.048 593 H SER 96 H SER 96 5.980 3.582 -15.439 594 HA SER 96 HA SER 96 7.708 2.235 -13.800 595 HB2 SER 96 HB2 SER 96 7.833 2.417 -16.827 596 HB3 SER 96 HB3 SER 96 8.639 1.183 -15.837 597 HG SER 96 HG SER 96 6.547 0.521 -16.632 598 HA PRO 97 HA PRO 97 11.728 4.390 -15.336 599 HB2 PRO 97 HB2 PRO 97 11.591 7.009 -16.228 600 HB3 PRO 97 HB3 PRO 97 11.549 5.567 -17.293 601 HG2 PRO 97 HG2 PRO 97 9.206 7.157 -16.212 602 HG3 PRO 97 HG3 PRO 97 9.527 6.651 -17.909 603 HD2 PRO 97 HD2 PRO 97 7.879 5.237 -16.388 604 HD3 PRO 97 HD3 PRO 97 9.052 4.395 -17.427 605 H LEU 98 H LEU 98 9.156 6.215 -13.734 606 HA LEU 98 HA LEU 98 10.914 7.709 -11.931 607 HB2 LEU 98 HB2 LEU 98 8.779 8.548 -12.661 608 HB3 LEU 98 HB3 LEU 98 7.908 7.179 -12.011 609 HG LEU 98 HG LEU 98 9.465 9.009 -10.186 610 HD11 LEU 98 HD11 LEU 98 7.321 10.253 -9.891 611 HD12 LEU 98 HD12 LEU 98 7.909 10.362 -11.554 612 HD13 LEU 98 HD13 LEU 98 6.577 9.258 -11.158 613 HD21 LEU 98 HD21 LEU 98 7.757 8.361 -8.533 614 HD22 LEU 98 HD22 LEU 98 7.050 7.248 -9.722 615 HD23 LEU 98 HD23 LEU 98 8.703 6.990 -9.085 616 H TYR 99 H TYR 99 8.715 4.862 -11.625 617 HA TYR 99 HA TYR 99 9.441 4.149 -8.976 618 HB2 TYR 99 HB2 TYR 99 8.546 2.423 -11.317 619 HB3 TYR 99 HB3 TYR 99 8.575 1.913 -9.637 620 HD1 TYR 99 HD2 TYR 99 7.474 5.098 -9.023 621 HD2 TYR 99 HD1 TYR 99 6.177 1.586 -11.188 622 HE1 TYR 99 HE2 TYR 99 5.111 5.704 -8.606 623 HE2 TYR 99 HE1 TYR 99 3.809 2.214 -10.773 624 HH TYR 99 HH TYR 99 2.369 3.717 -9.782 625 H ASP 100 H ASP 100 10.875 2.995 -12.053 626 HA ASP 100 HA ASP 100 12.933 1.343 -11.116 627 HB2 ASP 100 HB2 ASP 100 12.199 1.703 -13.392 628 HB3 ASP 100 HB3 ASP 100 12.864 3.316 -13.384 629 H MET 101 H MET 101 13.019 4.880 -11.581 630 HA MET 101 HA MET 101 15.747 5.035 -10.615 631 HB2 MET 101 HB2 MET 101 15.865 7.265 -10.889 632 HB3 MET 101 HB3 MET 101 14.905 6.654 -12.232 633 HG2 MET 101 HG2 MET 101 13.921 8.651 -11.547 634 HG3 MET 101 HG3 MET 101 12.871 7.363 -10.994 635 HE1 MET 101 HE1 MET 101 12.011 9.786 -8.198 636 HE2 MET 101 HE2 MET 101 11.969 9.871 -9.980 637 HE3 MET 101 HE3 MET 101 11.455 8.395 -9.151 638 H LEU 102 H LEU 102 12.697 5.018 -8.877 639 HA LEU 102 HA LEU 102 13.897 5.995 -6.391 640 HB2 LEU 102 HB2 LEU 102 11.346 4.401 -6.893 641 HB3 LEU 102 HB3 LEU 102 11.860 5.036 -5.340 642 HG LEU 102 HG LEU 102 11.153 6.739 -7.758 643 HD11 LEU 102 HD11 LEU 102 9.113 7.288 -6.475 644 HD12 LEU 102 HD12 LEU 102 9.204 5.550 -6.816 645 HD13 LEU 102 HD13 LEU 102 9.619 6.158 -5.197 646 HD21 LEU 102 HD21 LEU 102 11.639 7.528 -4.861 647 HD22 LEU 102 HD22 LEU 102 12.723 7.907 -6.227 648 HD23 LEU 102 HD23 LEU 102 11.105 8.617 -6.156 649 H ARG 103 H ARG 103 13.216 2.807 -7.964 650 HA ARG 103 HA ARG 103 13.549 1.122 -5.883 651 HB2 ARG 103 HB2 ARG 103 14.437 0.845 -8.772 652 HB3 ARG 103 HB3 ARG 103 14.580 -0.503 -7.637 653 HG2 ARG 103 HG2 ARG 103 12.004 -0.121 -7.253 654 HG3 ARG 103 HG3 ARG 103 12.103 0.742 -8.813 655 HD2 ARG 103 HD2 ARG 103 13.076 -1.180 -9.894 656 HD3 ARG 103 HD3 ARG 103 13.028 -2.096 -8.367 657 HE ARG 103 HE ARG 103 10.404 -1.136 -8.925 658 HH11 ARG 103 HH11 ARG 103 12.605 -3.550 -10.199 659 HH12 ARG 103 HH12 ARG 103 11.307 -4.558 -10.781 660 HH21 ARG 103 HH21 ARG 103 8.797 -2.467 -9.698 661 HH22 ARG 103 HH22 ARG 103 9.210 -3.952 -10.503 662 H LYS 104 H LYS 104 16.279 2.248 -7.804 663 HA LYS 104 HA LYS 104 18.261 1.059 -5.996 664 HB2 LYS 104 HB2 LYS 104 19.811 2.301 -7.765 665 HB3 LYS 104 HB3 LYS 104 19.135 0.706 -7.992 666 HG2 LYS 104 HG2 LYS 104 19.006 2.030 -10.026 667 HG3 LYS 104 HG3 LYS 104 17.420 1.532 -9.453 668 HD2 LYS 104 HD2 LYS 104 17.345 3.731 -10.350 669 HD3 LYS 104 HD3 LYS 104 16.917 3.712 -8.637 670 HE2 LYS 104 HE2 LYS 104 18.042 5.734 -9.253 671 HE3 LYS 104 HE3 LYS 104 18.933 4.837 -8.014 672 HZ1 LYS 104 HZ1 LYS 104 20.430 5.667 -9.801 673 HZ2 LYS 104 HZ2 LYS 104 20.464 4.040 -9.791 674 HZ3 LYS 104 HZ3 LYS 104 19.614 4.835 -10.938 675 H ASN 105 H ASN 105 16.766 4.187 -6.168 676 HA ASN 105 HA ASN 105 19.077 5.516 -4.840 677 HB2 ASN 105 HB2 ASN 105 17.569 6.529 -6.680 678 HB3 ASN 105 HB3 ASN 105 16.355 6.732 -5.408 679 HD21 ASN 105 HD22 ASN 105 19.797 7.284 -6.221 680 HD22 ASN 105 HD21 ASN 105 19.980 8.650 -5.157 681 H LEU 106 H LEU 106 15.640 4.758 -4.142 682 HA LEU 106 HA LEU 106 16.383 4.150 -1.366 683 HB2 LEU 106 HB2 LEU 106 14.852 5.572 -0.328 684 HB3 LEU 106 HB3 LEU 106 15.903 6.541 -1.347 685 HG LEU 106 HG LEU 106 13.045 5.815 -2.136 686 HD11 LEU 106 HD11 LEU 106 13.068 7.072 -0.006 687 HD12 LEU 106 HD12 LEU 106 14.052 8.333 -0.776 688 HD13 LEU 106 HD13 LEU 106 12.397 8.014 -1.338 689 HD21 LEU 106 HD21 LEU 106 15.091 7.833 -3.160 690 HD22 LEU 106 HD22 LEU 106 14.243 6.559 -4.071 691 HD23 LEU 106 HD23 LEU 106 13.361 7.978 -3.492 692 H VAL 107 H VAL 107 15.171 2.659 -0.327 693 HA VAL 107 HA VAL 107 13.412 1.033 -1.913 694 HB VAL 107 HB VAL 107 13.960 0.919 1.072 695 HG11 VAL 107 HG11 VAL 107 13.290 -1.475 0.895 696 HG12 VAL 107 HG12 VAL 107 11.944 -0.386 0.572 697 HG13 VAL 107 HG13 VAL 107 12.771 -1.193 -0.781 698 HG21 VAL 107 HG21 VAL 107 16.033 0.623 -0.245 699 HG22 VAL 107 HG22 VAL 107 15.539 -0.908 0.474 700 HG23 VAL 107 HG23 VAL 107 15.232 -0.603 -1.250 701 H THR 108 H THR 108 12.861 3.437 0.349 702 HA THR 108 HA THR 108 11.061 4.470 1.346 703 HB THR 108 HB THR 108 11.051 5.453 -0.847 704 HG1 THR 108 HG1 THR 108 9.649 6.301 0.580 705 HG21 THR 108 HG21 THR 108 9.210 4.972 -2.429 706 HG22 THR 108 HG22 THR 108 10.443 3.716 -2.386 707 HG23 THR 108 HG23 THR 108 8.889 3.443 -1.566 708 H LEU 109 H LEU 109 8.233 4.212 0.863 709 HA LEU 109 HA LEU 109 7.552 2.336 2.883 710 HB2 LEU 109 HB2 LEU 109 6.270 4.315 2.274 711 HB3 LEU 109 HB3 LEU 109 5.775 3.540 0.759 712 HG LEU 109 HG LEU 109 4.520 1.831 1.965 713 HD11 LEU 109 HD11 LEU 109 5.849 1.458 3.995 714 HD12 LEU 109 HD12 LEU 109 5.563 3.134 4.528 715 HD13 LEU 109 HD13 LEU 109 4.227 1.964 4.453 716 HD21 LEU 109 HD21 LEU 109 4.063 4.579 3.165 717 HD22 LEU 109 HD22 LEU 109 3.508 4.058 1.553 718 HD23 LEU 109 HD23 LEU 109 2.850 3.285 3.011 719 H ALA 110 H ALA 110 7.109 2.103 -0.641 720 HA ALA 110 HA ALA 110 6.781 0.464 -2.108 721 HB1 ALA 110 HB1 ALA 110 9.085 0.073 -1.359 722 HB2 ALA 110 HB2 ALA 110 8.521 -1.133 -0.191 723 HB3 ALA 110 HB3 ALA 110 8.329 -1.416 -1.938 724 H THR 111 H THR 111 6.389 -2.182 -2.235 725 HA THR 111 HA THR 111 4.005 -2.872 -0.611 726 HB THR 111 HB THR 111 3.306 -1.436 -2.505 727 HG1 THR 111 HG1 THR 111 1.819 -2.883 -1.732 728 HG21 THR 111 HG21 THR 111 4.917 -2.133 -4.249 729 HG22 THR 111 HG22 THR 111 4.148 -3.736 -4.320 730 HG23 THR 111 HG23 THR 111 3.237 -2.286 -4.782 731 HD1 48M 200 HD1 48M 200 2.637 14.804 -13.004 732 HD2 48M 200 HD2 48M 200 3.246 13.067 -9.097 733 HD3 48M 200 HD3 48M 200 -0.262 11.196 -8.948 734 HD4 48M 200 HD4 48M 200 1.966 11.882 -12.569 735 HD5 48M 200 HD5 48M 200 -2.126 13.741 -13.848 736 HE1 48M 200 HE1 48M 200 4.959 14.231 -13.605 737 HE2 48M 200 HE2 48M 200 5.520 12.420 -9.754 738 HE3 48M 200 HE3 48M 200 0.457 8.832 -8.958 739 HE5 48M 200 HE5 48M 200 -3.054 14.619 -15.932 740 HE6 48M 200 HE6 48M 200 -0.132 17.747 -15.956 741 HZ2 48M 200 HZ2 48M 200 1.952 7.992 -10.755 742 HM21 48M 200 HM21 48M 200 3.588 17.199 -16.159 743 HM22 48M 200 HM22 48M 200 3.316 15.843 -15.053 744 HM23 48M 200 HM23 48M 200 2.098 16.258 -16.266 745 HM31 48M 200 HM31 48M 200 3.896 18.841 -14.098 746 HM32 48M 200 HM32 48M 200 2.687 18.775 -12.813 747 HM33 48M 200 HM33 48M 200 3.735 17.381 -13.102 748 HN1 48M 200 HN1 48M 200 -3.039 20.109 -10.389 749 H21 48M 200 H21 48M 200 -2.437 17.713 -9.428 750 H22 48M 200 H22 48M 200 -3.604 17.826 -10.761 751 H31 48M 200 H31 48M 200 -1.796 16.138 -11.090 752 H32 48M 200 H32 48M 200 -1.899 17.334 -12.402 753 H41 48M 200 H41 48M 200 0.470 19.312 -12.131 754 H42 48M 200 H42 48M 200 0.801 19.252 -10.387 755 H7 48M 200 H7 48M 200 -0.424 13.262 -9.933 756 H8 48M 200 H8 48M 200 1.323 14.615 -9.546 757 H9 48M 200 H9 48M 200 1.686 18.469 -15.103 Start of MODEL 5 1 H1 GLN 23 H GLN 23 4.220 13.458 13.468 2 HA GLN 23 HA GLN 23 6.946 14.140 12.714 3 HB2 GLN 23 HB2 GLN 23 6.478 11.649 14.406 4 HB3 GLN 23 HB3 GLN 23 7.983 12.076 13.574 5 HG2 GLN 23 HG2 GLN 23 8.203 14.100 14.985 6 HG3 GLN 23 HG3 GLN 23 6.718 13.670 15.841 7 HE21 GLN 23 HE22 GLN 23 8.611 13.932 17.598 8 HE22 GLN 23 HE21 GLN 23 9.343 12.397 18.053 9 H ILE 24 H ILE 24 7.757 12.884 10.976 10 HA ILE 24 HA ILE 24 5.643 11.618 9.390 11 HB ILE 24 HB ILE 24 8.378 12.746 8.845 12 HG12 ILE 24 HG12 ILE 24 5.681 13.085 7.462 13 HG13 ILE 24 HG13 ILE 24 6.254 14.092 8.795 14 HG21 ILE 24 HG21 ILE 24 6.951 10.832 6.952 15 HG22 ILE 24 HG22 ILE 24 8.296 11.899 6.493 16 HG23 ILE 24 HG23 ILE 24 8.564 10.642 7.681 17 HD11 ILE 24 HD11 ILE 24 8.219 14.777 7.365 18 HD12 ILE 24 HD12 ILE 24 7.442 13.930 6.001 19 HD13 ILE 24 HD13 ILE 24 6.632 15.300 6.769 20 H ASN 25 H ASN 25 8.774 10.535 10.627 21 HA ASN 25 HA ASN 25 9.586 8.510 11.072 22 HB2 ASN 25 HB2 ASN 25 6.678 7.762 11.182 23 HB3 ASN 25 HB3 ASN 25 7.944 6.564 11.336 24 HD21 ASN 25 HD21 ASN 25 7.912 9.873 12.434 25 HD22 ASN 25 HD22 ASN 25 8.101 9.537 14.171 26 H GLN 26 H GLN 26 10.031 9.239 8.602 27 HA GLN 26 HA GLN 26 9.949 6.813 6.930 28 HB2 GLN 26 HB2 GLN 26 8.039 8.609 6.438 29 HB3 GLN 26 HB3 GLN 26 9.327 9.267 5.421 30 HG2 GLN 26 HG2 GLN 26 8.047 7.643 4.160 31 HG3 GLN 26 HG3 GLN 26 9.603 6.937 4.418 32 HE21 GLN 26 HE22 GLN 26 9.519 4.773 4.997 33 HE22 GLN 26 HE21 GLN 26 8.209 4.078 5.949 34 H VAL 27 H VAL 27 11.233 7.600 4.687 35 HA VAL 27 HA VAL 27 13.932 8.092 5.807 36 HB VAL 27 HB VAL 27 14.800 6.625 4.060 37 HG11 VAL 27 HG11 VAL 27 13.968 5.583 6.156 38 HG12 VAL 27 HG12 VAL 27 12.415 5.256 5.355 39 HG13 VAL 27 HG13 VAL 27 13.905 4.505 4.752 40 HG21 VAL 27 HG21 VAL 27 13.460 5.469 2.451 41 HG22 VAL 27 HG22 VAL 27 11.953 6.180 3.083 42 HG23 VAL 27 HG23 VAL 27 13.156 7.189 2.255 43 H ARG 28 H ARG 28 15.664 8.827 4.453 44 HA ARG 28 HA ARG 28 14.816 11.011 2.668 45 HB2 ARG 28 HB2 ARG 28 16.962 11.975 3.024 46 HB3 ARG 28 HB3 ARG 28 16.210 11.612 4.573 47 HG2 ARG 28 HG2 ARG 28 17.683 9.604 4.797 48 HG3 ARG 28 HG3 ARG 28 18.465 10.031 3.257 49 HD2 ARG 28 HD2 ARG 28 19.148 12.207 4.193 50 HD3 ARG 28 HD3 ARG 28 18.375 11.791 5.738 51 HE ARG 28 HE ARG 28 20.184 9.706 5.126 52 HH11 ARG 28 HH11 ARG 28 20.434 13.110 5.938 53 HH12 ARG 28 HH12 ARG 28 22.015 12.918 6.644 54 HH21 ARG 28 HH21 ARG 28 22.202 9.534 6.042 55 HH22 ARG 28 HH22 ARG 28 22.985 10.942 6.697 56 HA PRO 29 HA PRO 29 16.569 8.750 -0.856 57 HB2 PRO 29 HB2 PRO 29 16.327 10.681 -2.764 58 HB3 PRO 29 HB3 PRO 29 14.924 9.770 -2.144 59 HG2 PRO 29 HG2 PRO 29 15.835 12.538 -1.369 60 HG3 PRO 29 HG3 PRO 29 14.176 11.954 -1.694 61 HD2 PRO 29 HD2 PRO 29 15.260 12.217 0.840 62 HD3 PRO 29 HD3 PRO 29 13.977 11.035 0.431 63 H LYS 30 H LYS 30 18.464 9.131 -2.340 64 HA LYS 30 HA LYS 30 20.707 10.263 -0.844 65 HB2 LYS 30 HB2 LYS 30 20.399 8.246 -2.737 66 HB3 LYS 30 HB3 LYS 30 21.259 9.474 -3.649 67 HG2 LYS 30 HG2 LYS 30 22.129 8.266 -0.981 68 HG3 LYS 30 HG3 LYS 30 22.652 7.717 -2.572 69 HD2 LYS 30 HD2 LYS 30 23.567 10.076 -2.966 70 HD3 LYS 30 HD3 LYS 30 23.341 10.358 -1.228 71 HE2 LYS 30 HE2 LYS 30 25.017 8.142 -2.498 72 HE3 LYS 30 HE3 LYS 30 25.654 9.668 -1.892 73 HZ1 LYS 30 HZ1 LYS 30 25.909 7.926 -0.239 74 HZ2 LYS 30 HZ2 LYS 30 24.875 9.038 0.346 75 HZ3 LYS 30 HZ3 LYS 30 24.316 7.601 -0.212 76 H LEU 31 H LEU 31 22.147 11.805 -1.667 77 HA LEU 31 HA LEU 31 21.052 14.283 -1.857 78 HB2 LEU 31 HB2 LEU 31 23.259 13.704 -1.035 79 HB3 LEU 31 HB3 LEU 31 23.862 13.421 -2.649 80 HG LEU 31 HG LEU 31 24.564 15.517 -1.516 81 HD11 LEU 31 HD11 LEU 31 24.676 15.275 -3.995 82 HD12 LEU 31 HD12 LEU 31 23.125 16.137 -4.120 83 HD13 LEU 31 HD13 LEU 31 24.539 16.942 -3.424 84 HD21 LEU 31 HD21 LEU 31 22.394 16.119 -0.471 85 HD22 LEU 31 HD22 LEU 31 23.127 17.450 -1.378 86 HD23 LEU 31 HD23 LEU 31 21.758 16.559 -2.075 87 HA PRO 32 HA PRO 32 21.750 14.923 -6.593 88 HB2 PRO 32 HB2 PRO 32 21.732 12.650 -8.190 89 HB3 PRO 32 HB3 PRO 32 23.214 13.506 -7.645 90 HG2 PRO 32 HG2 PRO 32 21.883 11.068 -6.420 91 HG3 PRO 32 HG3 PRO 32 23.626 11.322 -6.764 92 HD2 PRO 32 HD2 PRO 32 22.675 11.686 -4.302 93 HD3 PRO 32 HD3 PRO 32 23.843 12.860 -4.969 94 H LEU 33 H LEU 33 19.761 12.408 -5.246 95 HA LEU 33 HA LEU 33 17.585 13.019 -7.120 96 HB2 LEU 33 HB2 LEU 33 18.343 10.696 -6.075 97 HB3 LEU 33 HB3 LEU 33 17.290 11.175 -4.744 98 HG LEU 33 HG LEU 33 16.491 11.201 -7.686 99 HD11 LEU 33 HD11 LEU 33 15.294 9.141 -7.373 100 HD12 LEU 33 HD12 LEU 33 17.004 8.901 -7.041 101 HD13 LEU 33 HD13 LEU 33 15.827 9.041 -5.684 102 HD21 LEU 33 HD21 LEU 33 14.823 11.320 -5.142 103 HD22 LEU 33 HD22 LEU 33 14.986 12.582 -6.391 104 HD23 LEU 33 HD23 LEU 33 14.159 11.085 -6.772 105 H LEU 34 H LEU 34 18.215 13.314 -3.593 106 HA LEU 34 HA LEU 34 15.943 14.779 -2.833 107 HB2 LEU 34 HB2 LEU 34 17.720 13.802 -1.340 108 HB3 LEU 34 HB3 LEU 34 18.836 15.045 -1.880 109 HG LEU 34 HG LEU 34 17.451 16.801 -0.824 110 HD11 LEU 34 HD11 LEU 34 15.205 15.804 -0.930 111 HD12 LEU 34 HD12 LEU 34 15.722 14.475 0.141 112 HD13 LEU 34 HD13 LEU 34 15.635 16.138 0.746 113 HD21 LEU 34 HD21 LEU 34 18.098 14.472 1.031 114 HD22 LEU 34 HD22 LEU 34 19.255 15.688 0.443 115 HD23 LEU 34 HD23 LEU 34 17.926 16.177 1.501 116 H LYS 35 H LYS 35 18.923 16.072 -4.416 117 HA LYS 35 HA LYS 35 18.294 18.796 -4.167 118 HB2 LYS 35 HB2 LYS 35 20.386 17.411 -5.209 119 HB3 LYS 35 HB3 LYS 35 19.550 17.777 -6.707 120 HG2 LYS 35 HG2 LYS 35 21.049 19.596 -6.407 121 HG3 LYS 35 HG3 LYS 35 19.495 20.233 -5.873 122 HD2 LYS 35 HD2 LYS 35 20.790 20.881 -4.046 123 HD3 LYS 35 HD3 LYS 35 20.286 19.280 -3.494 124 HE2 LYS 35 HE2 LYS 35 22.575 19.368 -3.024 125 HE3 LYS 35 HE3 LYS 35 22.441 18.344 -4.455 126 HZ1 LYS 35 HZ1 LYS 35 23.212 21.231 -4.467 127 HZ2 LYS 35 HZ2 LYS 35 24.246 19.990 -4.665 128 HZ3 LYS 35 HZ3 LYS 35 23.123 20.295 -5.805 129 H ILE 36 H ILE 36 16.915 16.515 -6.508 130 HA ILE 36 HA ILE 36 15.547 18.441 -8.187 131 HB ILE 36 HB ILE 36 14.996 15.528 -7.543 132 HG12 ILE 36 HG12 ILE 36 16.156 16.764 -10.064 133 HG13 ILE 36 HG13 ILE 36 17.205 16.333 -8.728 134 HG21 ILE 36 HG21 ILE 36 13.573 15.504 -9.541 135 HG22 ILE 36 HG22 ILE 36 12.915 16.597 -8.338 136 HG23 ILE 36 HG23 ILE 36 13.782 17.252 -9.740 137 HD11 ILE 36 HD11 ILE 36 16.616 14.032 -8.820 138 HD12 ILE 36 HD12 ILE 36 15.425 14.320 -10.102 139 HD13 ILE 36 HD13 ILE 36 17.156 14.602 -10.418 140 H LEU 37 H LEU 37 14.601 16.605 -5.225 141 HA LEU 37 HA LEU 37 11.906 17.600 -5.013 142 HB2 LEU 37 HB2 LEU 37 13.869 16.417 -2.994 143 HB3 LEU 37 HB3 LEU 37 12.230 16.855 -2.581 144 HG LEU 37 HG LEU 37 11.293 15.174 -3.998 145 HD11 LEU 37 HD11 LEU 37 12.858 15.006 -5.879 146 HD12 LEU 37 HD12 LEU 37 14.096 14.343 -4.771 147 HD13 LEU 37 HD13 LEU 37 12.611 13.442 -5.115 148 HD21 LEU 37 HD21 LEU 37 12.206 13.192 -2.816 149 HD22 LEU 37 HD22 LEU 37 13.591 14.171 -2.294 150 HD23 LEU 37 HD23 LEU 37 11.954 14.573 -1.730 151 H HIS 38 H HIS 38 15.007 18.694 -3.606 152 HA HIS 38 HA HIS 38 13.863 20.938 -2.159 153 HB2 HIS 38 HB2 HIS 38 16.656 20.056 -2.931 154 HB3 HIS 38 HB3 HIS 38 16.366 21.612 -2.147 155 HD2 HIS 38 HD2 HIS 38 13.951 19.102 -0.811 156 HE1 HIS 38 HE1 HIS 38 17.096 19.260 2.055 157 HE2 HIS 38 HE2 HIS 38 14.691 18.496 1.639 158 H ALA 39 H ALA 39 15.316 20.686 -5.438 159 HA ALA 39 HA ALA 39 15.125 23.448 -6.099 160 HB1 ALA 39 HB1 ALA 39 15.222 22.624 -8.426 161 HB2 ALA 39 HB2 ALA 39 16.439 21.847 -7.399 162 HB3 ALA 39 HB3 ALA 39 14.960 20.965 -7.847 163 H ALA 40 H ALA 40 12.684 20.904 -5.946 164 HA ALA 40 HA ALA 40 10.621 22.564 -7.113 165 HB1 ALA 40 HB1 ALA 40 10.873 19.912 -6.840 166 HB2 ALA 40 HB2 ALA 40 9.977 20.219 -5.352 167 HB3 ALA 40 HB3 ALA 40 9.294 20.723 -6.916 168 H GLY 41 H GLY 41 11.944 22.230 -3.849 169 HA2 GLY 41 HA2 GLY 41 11.439 23.607 -2.012 170 HA3 GLY 41 HA3 GLY 41 9.894 24.063 -2.722 171 H ALA 42 H ALA 42 11.440 20.906 -1.830 172 HA ALA 42 HA ALA 42 9.065 19.745 -0.744 173 HB1 ALA 42 HB1 ALA 42 11.067 18.509 -1.586 174 HB2 ALA 42 HB2 ALA 42 11.917 18.980 -0.081 175 HB3 ALA 42 HB3 ALA 42 10.473 17.964 -0.018 176 H GLN 43 H GLN 43 8.737 18.999 1.460 177 HA GLN 43 HA GLN 43 9.054 21.265 3.326 178 HB2 GLN 43 HB2 GLN 43 6.805 20.250 2.481 179 HB3 GLN 43 HB3 GLN 43 7.126 18.963 3.635 180 HG2 GLN 43 HG2 GLN 43 5.667 20.574 4.652 181 HG3 GLN 43 HG3 GLN 43 7.209 20.708 5.469 182 HE21 GLN 43 HE22 GLN 43 6.054 22.835 6.112 183 HE22 GLN 43 HE21 GLN 43 6.313 24.199 5.032 184 H GLY 44 H GLY 44 11.253 19.402 2.975 185 HA2 GLY 44 HA2 GLY 44 12.411 19.079 5.419 186 HA3 GLY 44 HA3 GLY 44 11.331 17.692 5.365 187 H GLU 45 H GLU 45 13.169 16.424 5.566 188 HA GLU 45 HA GLU 45 14.491 15.743 2.957 189 HB2 GLU 45 HB2 GLU 45 15.646 15.592 5.768 190 HB3 GLU 45 HB3 GLU 45 16.411 14.919 4.325 191 HG2 GLU 45 HG2 GLU 45 16.552 17.161 3.311 192 HG3 GLU 45 HG3 GLU 45 15.778 17.872 4.728 193 H MET 46 H MET 46 12.402 14.627 5.421 194 HA MET 46 HA MET 46 12.886 11.704 4.818 195 HB2 MET 46 HB2 MET 46 11.894 13.138 7.301 196 HB3 MET 46 HB3 MET 46 11.667 11.409 7.023 197 HG2 MET 46 HG2 MET 46 14.056 11.057 6.819 198 HG3 MET 46 HG3 MET 46 14.378 12.784 7.001 199 HE1 MET 46 HE1 MET 46 13.720 13.485 10.759 200 HE2 MET 46 HE2 MET 46 14.334 14.110 9.214 201 HE3 MET 46 HE3 MET 46 12.596 13.784 9.420 202 H PHE 47 H PHE 47 11.357 11.005 3.395 203 HA PHE 47 HA PHE 47 8.488 11.505 3.957 204 HB2 PHE 47 HB2 PHE 47 8.808 11.885 1.128 205 HB3 PHE 47 HB3 PHE 47 8.088 12.931 2.327 206 HD1 PHE 47 HD1 PHE 47 11.554 11.888 1.266 207 HD2 PHE 47 HD2 PHE 47 8.931 15.120 2.400 208 HE1 PHE 47 HE1 PHE 47 13.355 13.497 0.856 209 HE2 PHE 47 HE2 PHE 47 10.720 16.757 1.871 210 HZ PHE 47 HZ PHE 47 12.935 15.957 1.054 211 H THR 48 H THR 48 7.012 10.297 2.508 212 HA THR 48 HA THR 48 7.842 7.513 1.973 213 HB THR 48 HB THR 48 5.337 7.410 1.317 214 HG1 THR 48 HG1 THR 48 4.257 9.320 2.345 215 HG21 THR 48 HG21 THR 48 5.965 8.364 4.148 216 HG22 THR 48 HG22 THR 48 4.509 7.490 3.597 217 HG23 THR 48 HG23 THR 48 6.090 6.697 3.554 218 H VAL 49 H VAL 49 7.168 6.501 -0.081 219 HA VAL 49 HA VAL 49 8.349 7.447 -2.413 220 HB VAL 49 HB VAL 49 6.092 5.474 -2.065 221 HG11 VAL 49 HG11 VAL 49 6.098 6.210 -4.423 222 HG12 VAL 49 HG12 VAL 49 7.862 5.999 -4.502 223 HG13 VAL 49 HG13 VAL 49 6.793 4.596 -4.295 224 HG21 VAL 49 HG21 VAL 49 9.102 5.123 -2.468 225 HG22 VAL 49 HG22 VAL 49 8.230 4.863 -0.944 226 HG23 VAL 49 HG23 VAL 49 7.905 3.816 -2.326 227 H LYS 50 H LYS 50 4.945 7.660 -1.315 228 HA LYS 50 HA LYS 50 3.927 8.962 -3.621 229 HB2 LYS 50 HB2 LYS 50 1.915 8.872 -2.456 230 HB3 LYS 50 HB3 LYS 50 2.807 7.436 -1.977 231 HG2 LYS 50 HG2 LYS 50 3.417 8.528 0.156 232 HG3 LYS 50 HG3 LYS 50 2.474 9.964 -0.299 233 HD2 LYS 50 HD2 LYS 50 0.426 8.575 -0.409 234 HD3 LYS 50 HD3 LYS 50 1.374 7.136 0.034 235 HE2 LYS 50 HE2 LYS 50 2.003 8.191 2.181 236 HE3 LYS 50 HE3 LYS 50 1.102 9.651 1.746 237 HZ1 LYS 50 HZ1 LYS 50 -0.110 6.956 2.127 238 HZ2 LYS 50 HZ2 LYS 50 -0.216 8.194 3.183 239 HZ3 LYS 50 HZ3 LYS 50 -0.939 8.307 1.727 240 H GLU 51 H GLU 51 5.313 10.259 -0.629 241 HA GLU 51 HA GLU 51 4.612 13.034 -1.317 242 HB2 GLU 51 HB2 GLU 51 6.377 11.813 0.821 243 HB3 GLU 51 HB3 GLU 51 6.155 13.551 0.611 244 HG2 GLU 51 HG2 GLU 51 3.871 11.601 1.144 245 HG3 GLU 51 HG3 GLU 51 4.729 12.492 2.392 246 H VAL 52 H VAL 52 7.653 11.019 -1.460 247 HA VAL 52 HA VAL 52 9.272 13.102 -2.463 248 HB VAL 52 HB VAL 52 10.648 11.421 -3.524 249 HG11 VAL 52 HG11 VAL 52 10.926 12.143 -1.136 250 HG12 VAL 52 HG12 VAL 52 9.989 10.717 -0.636 251 HG13 VAL 52 HG13 VAL 52 11.557 10.516 -1.443 252 HG21 VAL 52 HG21 VAL 52 8.922 9.341 -2.362 253 HG22 VAL 52 HG22 VAL 52 9.191 9.602 -4.107 254 HG23 VAL 52 HG23 VAL 52 10.517 9.066 -3.070 255 H MET 53 H MET 53 7.405 10.727 -4.301 256 HA MET 53 HA MET 53 7.914 12.019 -6.802 257 HB2 MET 53 HB2 MET 53 6.483 10.593 -7.848 258 HB3 MET 53 HB3 MET 53 7.143 9.648 -6.517 259 HG2 MET 53 HG2 MET 53 5.049 10.081 -5.221 260 HG3 MET 53 HG3 MET 53 4.393 10.977 -6.588 261 HE1 MET 53 HE1 MET 53 3.868 8.270 -9.331 262 HE2 MET 53 HE2 MET 53 3.832 9.995 -8.917 263 HE3 MET 53 HE3 MET 53 5.384 9.152 -9.137 264 H HIS 54 H HIS 54 5.554 12.990 -4.353 265 HA HIS 54 HA HIS 54 3.890 14.573 -6.126 266 HB2 HIS 54 HB2 HIS 54 3.205 13.987 -3.831 267 HB3 HIS 54 HB3 HIS 54 4.516 14.964 -3.173 268 HD2 HIS 54 HD2 HIS 54 4.182 17.561 -2.987 269 HE1 HIS 54 HE1 HIS 54 0.347 17.856 -4.832 270 HE2 HIS 54 HE2 HIS 54 2.139 19.128 -3.543 271 H TYR 55 H TYR 55 6.922 15.272 -4.344 272 HA TYR 55 HA TYR 55 7.143 17.964 -5.276 273 HB2 TYR 55 HB2 TYR 55 9.424 16.121 -4.593 274 HB3 TYR 55 HB3 TYR 55 9.461 17.880 -4.614 275 HD1 TYR 55 HD2 TYR 55 7.386 18.941 -3.093 276 HD2 TYR 55 HD1 TYR 55 9.416 15.204 -2.467 277 HE1 TYR 55 HE2 TYR 55 6.523 18.872 -0.760 278 HE2 TYR 55 HE1 TYR 55 8.594 15.142 -0.133 279 HH TYR 55 HH TYR 55 6.418 17.663 1.210 280 H LEU 56 H LEU 56 7.813 14.926 -6.992 281 HA LEU 56 HA LEU 56 9.312 16.199 -9.160 282 HB2 LEU 56 HB2 LEU 56 7.588 13.700 -9.303 283 HB3 LEU 56 HB3 LEU 56 8.787 14.225 -10.467 284 HG LEU 56 HG LEU 56 9.410 13.372 -7.614 285 HD11 LEU 56 HD11 LEU 56 9.770 11.919 -10.260 286 HD12 LEU 56 HD12 LEU 56 10.246 11.325 -8.638 287 HD13 LEU 56 HD13 LEU 56 8.536 11.543 -9.047 288 HD21 LEU 56 HD21 LEU 56 11.199 14.032 -9.973 289 HD22 LEU 56 HD22 LEU 56 11.108 14.901 -8.425 290 HD23 LEU 56 HD23 LEU 56 11.754 13.254 -8.470 291 H GLY 57 H GLY 57 5.844 15.337 -8.660 292 HA2 GLY 57 HA2 GLY 57 4.795 16.417 -11.052 293 HA3 GLY 57 HA3 GLY 57 3.941 16.331 -9.501 294 H GLN 58 H GLN 58 5.229 18.094 -7.866 295 HA GLN 58 HA GLN 58 4.507 20.639 -8.967 296 HB2 GLN 58 HB2 GLN 58 4.656 21.475 -6.915 297 HB3 GLN 58 HB3 GLN 58 4.631 19.776 -6.467 298 HG2 GLN 58 HG2 GLN 58 7.189 19.897 -6.384 299 HG3 GLN 58 HG3 GLN 58 7.074 21.618 -6.672 300 HE21 GLN 58 HE22 GLN 58 7.892 22.287 -4.584 301 HE22 GLN 58 HE21 GLN 58 7.125 21.835 -3.079 302 H TYR 59 H TYR 59 7.730 19.042 -8.766 303 HA TYR 59 HA TYR 59 9.291 21.280 -9.429 304 HB2 TYR 59 HB2 TYR 59 10.305 19.174 -8.728 305 HB3 TYR 59 HB3 TYR 59 9.636 18.331 -10.079 306 HD1 TYR 59 HD2 TYR 59 10.468 18.816 -12.423 307 HD2 TYR 59 HD1 TYR 59 12.476 20.269 -8.898 308 HE1 TYR 59 HE2 TYR 59 12.664 18.595 -13.607 309 HE2 TYR 59 HE1 TYR 59 14.658 20.098 -10.084 310 HH TYR 59 HH TYR 59 15.754 19.480 -11.991 311 H ILE 60 H ILE 60 7.762 18.774 -11.528 312 HA ILE 60 HA ILE 60 8.526 19.911 -14.045 313 HB ILE 60 HB ILE 60 6.157 18.173 -13.286 314 HG12 ILE 60 HG12 ILE 60 8.657 17.107 -14.634 315 HG13 ILE 60 HG13 ILE 60 8.649 17.316 -12.894 316 HG21 ILE 60 HG21 ILE 60 6.141 17.453 -15.675 317 HG22 ILE 60 HG22 ILE 60 5.767 19.166 -15.475 318 HG23 ILE 60 HG23 ILE 60 7.356 18.684 -16.059 319 HD11 ILE 60 HD11 ILE 60 7.950 15.075 -13.315 320 HD12 ILE 60 HD12 ILE 60 6.534 15.970 -12.741 321 HD13 ILE 60 HD13 ILE 60 6.698 15.600 -14.463 322 H MET 61 H MET 61 5.594 20.372 -12.018 323 HA MET 61 HA MET 61 4.261 22.107 -13.818 324 HB2 MET 61 HB2 MET 61 3.305 20.875 -11.833 325 HB3 MET 61 HB3 MET 61 4.049 22.084 -10.783 326 HG2 MET 61 HG2 MET 61 1.711 22.633 -11.169 327 HG3 MET 61 HG3 MET 61 2.734 23.859 -11.905 328 HE1 MET 61 HE1 MET 61 0.967 24.310 -15.108 329 HE2 MET 61 HE2 MET 61 0.940 24.893 -13.428 330 HE3 MET 61 HE3 MET 61 2.491 24.664 -14.268 331 H VAL 62 H VAL 62 6.544 22.946 -11.144 332 HA VAL 62 HA VAL 62 6.321 25.795 -11.677 333 HB VAL 62 HB VAL 62 6.876 24.807 -9.463 334 HG11 VAL 62 HG11 VAL 62 9.168 24.328 -8.835 335 HG12 VAL 62 HG12 VAL 62 8.638 23.200 -10.070 336 HG13 VAL 62 HG13 VAL 62 9.726 24.532 -10.506 337 HG21 VAL 62 HG21 VAL 62 7.229 27.203 -9.997 338 HG22 VAL 62 HG22 VAL 62 8.408 26.585 -8.817 339 HG23 VAL 62 HG23 VAL 62 8.891 26.813 -10.515 340 H LYS 63 H LYS 63 8.803 23.348 -12.571 341 HA LYS 63 HA LYS 63 10.291 25.104 -14.281 342 HB2 LYS 63 HB2 LYS 63 9.904 22.093 -14.215 343 HB3 LYS 63 HB3 LYS 63 11.156 22.906 -15.136 344 HG2 LYS 63 HG2 LYS 63 11.129 23.580 -12.206 345 HG3 LYS 63 HG3 LYS 63 11.425 21.883 -12.599 346 HD2 LYS 63 HD2 LYS 63 13.170 22.554 -14.174 347 HD3 LYS 63 HD3 LYS 63 13.008 24.250 -13.660 348 HE2 LYS 63 HE2 LYS 63 13.688 23.705 -11.402 349 HE3 LYS 63 HE3 LYS 63 13.496 21.977 -11.694 350 HZ1 LYS 63 HZ1 LYS 63 15.578 23.687 -12.962 351 HZ2 LYS 63 HZ2 LYS 63 15.850 22.587 -11.786 352 HZ3 LYS 63 HZ3 LYS 63 15.388 22.096 -13.282 353 H GLN 64 H GLN 64 7.178 23.662 -14.883 354 HA GLN 64 HA GLN 64 5.930 23.106 -16.547 355 HB2 GLN 64 HB2 GLN 64 5.606 24.734 -18.419 356 HB3 GLN 64 HB3 GLN 64 5.257 25.282 -16.786 357 HG2 GLN 64 HG2 GLN 64 7.996 25.715 -17.805 358 HG3 GLN 64 HG3 GLN 64 6.742 26.706 -18.557 359 HE21 GLN 64 HE22 GLN 64 9.075 27.006 -16.311 360 HE22 GLN 64 HE21 GLN 64 8.241 27.949 -15.091 361 H LEU 65 H LEU 65 7.460 21.382 -16.512 362 HA LEU 65 HA LEU 65 9.424 21.308 -18.665 363 HB2 LEU 65 HB2 LEU 65 9.883 21.104 -16.162 364 HB3 LEU 65 HB3 LEU 65 9.271 19.471 -16.259 365 HG LEU 65 HG LEU 65 11.182 18.710 -17.404 366 HD11 LEU 65 HD11 LEU 65 12.978 20.244 -18.229 367 HD12 LEU 65 HD12 LEU 65 11.477 20.577 -19.099 368 HD13 LEU 65 HD13 LEU 65 11.990 21.653 -17.786 369 HD21 LEU 65 HD21 LEU 65 12.907 19.239 -15.933 370 HD22 LEU 65 HD22 LEU 65 12.186 20.805 -15.509 371 HD23 LEU 65 HD23 LEU 65 11.357 19.299 -15.056 372 H TYR 66 H TYR 66 6.715 21.020 -19.246 373 HA TYR 66 HA TYR 66 6.487 18.233 -20.181 374 HB2 TYR 66 HB2 TYR 66 3.974 18.644 -20.083 375 HB3 TYR 66 HB3 TYR 66 4.839 18.430 -18.578 376 HD1 TYR 66 HD2 TYR 66 3.746 21.246 -20.872 377 HD2 TYR 66 HD1 TYR 66 4.377 19.856 -16.869 378 HE1 TYR 66 HE2 TYR 66 2.891 23.413 -20.012 379 HE2 TYR 66 HE1 TYR 66 3.567 22.066 -15.971 380 HH TYR 66 HH TYR 66 2.417 24.677 -18.144 381 H ASP 67 H ASP 67 4.818 18.064 -22.095 382 HA ASP 67 HA ASP 67 5.691 19.837 -24.251 383 HB2 ASP 67 HB2 ASP 67 5.067 17.337 -24.413 384 HB3 ASP 67 HB3 ASP 67 3.396 17.890 -24.422 385 H GLN 68 H GLN 68 4.513 21.292 -25.348 386 HA GLN 68 HA GLN 68 2.559 23.011 -24.131 387 HB2 GLN 68 HB2 GLN 68 2.998 22.756 -27.117 388 HB3 GLN 68 HB3 GLN 68 2.658 24.186 -26.183 389 HG2 GLN 68 HG2 GLN 68 4.834 24.695 -26.048 390 HG3 GLN 68 HG3 GLN 68 5.277 23.132 -25.401 391 HE21 GLN 68 HE22 GLN 68 5.095 21.219 -27.351 392 HE22 GLN 68 HE21 GLN 68 6.033 21.774 -28.727 393 H GLN 69 H GLN 69 2.465 20.355 -26.481 394 HA GLN 69 HA GLN 69 -0.421 20.549 -26.976 395 HB2 GLN 69 HB2 GLN 69 1.796 18.694 -27.881 396 HB3 GLN 69 HB3 GLN 69 0.115 18.255 -28.128 397 HG2 GLN 69 HG2 GLN 69 0.942 19.302 -30.127 398 HG3 GLN 69 HG3 GLN 69 -0.323 20.291 -29.406 399 HE21 GLN 69 HE22 GLN 69 3.307 19.995 -29.411 400 HE22 GLN 69 HE21 GLN 69 3.557 21.731 -29.420 401 H GLU 70 H GLU 70 1.582 18.707 -24.749 402 HA GLU 70 HA GLU 70 -0.779 17.251 -23.658 403 HB2 GLU 70 HB2 GLU 70 1.760 15.992 -24.781 404 HB3 GLU 70 HB3 GLU 70 0.715 15.184 -23.616 405 HG2 GLU 70 HG2 GLU 70 -1.219 15.545 -25.232 406 HG3 GLU 70 HG3 GLU 70 -0.028 16.074 -26.425 407 H GLN 71 H GLN 71 -0.657 18.550 -21.792 408 HA GLN 71 HA GLN 71 1.684 19.166 -20.360 409 HB2 GLN 71 HB2 GLN 71 -1.274 19.022 -19.751 410 HB3 GLN 71 HB3 GLN 71 -0.126 19.382 -18.457 411 HG2 GLN 71 HG2 GLN 71 -0.842 21.473 -19.258 412 HG3 GLN 71 HG3 GLN 71 0.797 21.278 -19.848 413 HE21 GLN 71 HE22 GLN 71 1.065 20.843 -22.273 414 HE22 GLN 71 HE21 GLN 71 -0.230 21.437 -23.294 415 H HIS 72 H HIS 72 -0.239 16.204 -20.181 416 HA HIS 72 HA HIS 72 1.035 15.161 -17.794 417 HB2 HIS 72 HB2 HIS 72 -0.053 13.016 -18.704 418 HB3 HIS 72 HB3 HIS 72 -1.137 14.342 -18.287 419 HD2 HIS 72 HD2 HIS 72 0.271 12.395 -21.261 420 HE1 HIS 72 HE1 HIS 72 -2.449 15.255 -22.910 421 HE2 HIS 72 HE2 HIS 72 -0.951 13.244 -23.465 422 H MET 73 H MET 73 2.101 15.457 -21.055 423 HA MET 73 HA MET 73 4.027 13.206 -20.877 424 HB2 MET 73 HB2 MET 73 2.785 13.499 -22.997 425 HB3 MET 73 HB3 MET 73 3.437 15.137 -23.153 426 HG2 MET 73 HG2 MET 73 4.702 13.617 -24.542 427 HG3 MET 73 HG3 MET 73 5.719 14.256 -23.254 428 HE1 MET 73 HE1 MET 73 7.534 12.671 -23.569 429 HE2 MET 73 HE2 MET 73 7.443 10.893 -23.576 430 HE3 MET 73 HE3 MET 73 6.768 11.827 -24.932 431 H VAL 74 H VAL 74 6.002 13.550 -20.115 432 HA VAL 74 HA VAL 74 6.781 16.337 -19.400 433 HB VAL 74 HB VAL 74 7.756 13.751 -18.149 434 HG11 VAL 74 HG11 VAL 74 7.762 16.653 -17.221 435 HG12 VAL 74 HG12 VAL 74 8.379 15.271 -16.303 436 HG13 VAL 74 HG13 VAL 74 9.172 15.757 -17.800 437 HG21 VAL 74 HG21 VAL 74 5.332 13.858 -17.758 438 HG22 VAL 74 HG22 VAL 74 6.185 14.284 -16.284 439 HG23 VAL 74 HG23 VAL 74 5.455 15.566 -17.279 440 H TYR 75 H TYR 75 8.764 17.128 -19.977 441 HA TYR 75 HA TYR 75 10.672 15.470 -21.574 442 HB2 TYR 75 HB2 TYR 75 9.391 18.110 -22.274 443 HB3 TYR 75 HB3 TYR 75 10.988 17.678 -22.880 444 HD1 TYR 75 HD1 TYR 75 11.308 15.351 -23.927 445 HD2 TYR 75 HD2 TYR 75 7.471 17.279 -23.502 446 HE1 TYR 75 HE1 TYR 75 10.364 13.841 -25.646 447 HE2 TYR 75 HE2 TYR 75 6.542 15.802 -25.286 448 HH TYR 75 HH TYR 75 6.964 14.110 -26.791 449 H CYS 76 H CYS 76 12.147 15.249 -19.944 450 HA CYS 76 HA CYS 76 13.120 17.597 -18.398 451 HB2 CYS 76 HB2 CYS 76 13.417 14.603 -17.942 452 HB3 CYS 76 HB3 CYS 76 14.161 15.866 -16.944 453 HG CYS 76 HG CYS 76 10.955 15.411 -17.560 454 H GLY 77 H GLY 77 14.012 16.503 -21.301 455 HA2 GLY 77 HA2 GLY 77 16.748 15.829 -21.160 456 HA3 GLY 77 HA3 GLY 77 15.988 16.671 -22.509 457 H GLY 78 H GLY 78 18.434 16.905 -20.325 458 HA2 GLY 78 HA2 GLY 78 19.976 18.639 -20.057 459 HA3 GLY 78 HA3 GLY 78 18.815 19.809 -20.672 460 H ASP 79 H ASP 79 17.211 18.058 -18.244 461 HA ASP 79 HA ASP 79 18.022 19.983 -16.102 462 HB2 ASP 79 HB2 ASP 79 15.395 19.112 -17.070 463 HB3 ASP 79 HB3 ASP 79 15.592 18.755 -15.374 464 H LEU 80 H LEU 80 17.842 19.169 -13.835 465 HA LEU 80 HA LEU 80 19.643 17.005 -13.527 466 HB2 LEU 80 HB2 LEU 80 19.073 18.971 -11.899 467 HB3 LEU 80 HB3 LEU 80 17.693 17.949 -11.406 468 HG LEU 80 HG LEU 80 19.178 16.217 -10.585 469 HD11 LEU 80 HD11 LEU 80 21.476 17.982 -11.537 470 HD12 LEU 80 HD12 LEU 80 21.648 16.595 -10.437 471 HD13 LEU 80 HD13 LEU 80 21.095 16.335 -12.085 472 HD21 LEU 80 HD21 LEU 80 20.110 18.969 -9.654 473 HD22 LEU 80 HD22 LEU 80 18.640 18.142 -9.101 474 HD23 LEU 80 HD23 LEU 80 20.238 17.441 -8.758 475 H LEU 81 H LEU 81 16.095 17.198 -12.977 476 HA LEU 81 HA LEU 81 15.697 14.607 -12.199 477 HB2 LEU 81 HB2 LEU 81 13.978 16.301 -12.130 478 HB3 LEU 81 HB3 LEU 81 13.951 16.444 -13.879 479 HG LEU 81 HG LEU 81 12.891 14.275 -14.133 480 HD11 LEU 81 HD11 LEU 81 13.169 13.958 -11.118 481 HD12 LEU 81 HD12 LEU 81 12.150 12.939 -12.158 482 HD13 LEU 81 HD13 LEU 81 13.896 12.929 -12.358 483 HD21 LEU 81 HD21 LEU 81 11.448 16.210 -13.609 484 HD22 LEU 81 HD22 LEU 81 10.766 14.711 -12.963 485 HD23 LEU 81 HD23 LEU 81 11.584 15.856 -11.874 486 H GLY 82 H GLY 82 16.150 15.727 -15.545 487 HA2 GLY 82 HA2 GLY 82 15.556 13.183 -16.822 488 HA3 GLY 82 HA3 GLY 82 16.358 14.580 -17.551 489 H GLU 83 H GLU 83 18.603 14.868 -15.860 490 HA GLU 83 HA GLU 83 20.341 12.811 -16.858 491 HB2 GLU 83 HB2 GLU 83 21.842 14.350 -16.430 492 HB3 GLU 83 HB3 GLU 83 20.598 15.358 -15.698 493 HG2 GLU 83 HG2 GLU 83 21.110 14.493 -13.488 494 HG3 GLU 83 HG3 GLU 83 22.260 13.335 -14.160 495 H LEU 84 H LEU 84 18.747 13.216 -13.734 496 HA LEU 84 HA LEU 84 19.935 11.013 -12.369 497 HB2 LEU 84 HB2 LEU 84 18.766 12.938 -11.355 498 HB3 LEU 84 HB3 LEU 84 17.249 12.418 -12.059 499 HG LEU 84 HG LEU 84 17.293 11.982 -9.755 500 HD11 LEU 84 HD11 LEU 84 17.566 9.227 -10.934 501 HD12 LEU 84 HD12 LEU 84 16.549 9.775 -9.604 502 HD13 LEU 84 HD13 LEU 84 16.184 10.311 -11.255 503 HD21 LEU 84 HD21 LEU 84 18.843 10.434 -8.636 504 HD22 LEU 84 HD22 LEU 84 19.714 10.179 -10.161 505 HD23 LEU 84 HD23 LEU 84 19.724 11.778 -9.384 506 H LEU 85 H LEU 85 16.750 11.280 -13.949 507 HA LEU 85 HA LEU 85 15.986 8.555 -14.117 508 HB2 LEU 85 HB2 LEU 85 15.519 10.997 -15.864 509 HB3 LEU 85 HB3 LEU 85 15.042 9.434 -16.471 510 HG LEU 85 HG LEU 85 14.087 10.387 -13.790 511 HD11 LEU 85 HD11 LEU 85 13.430 12.056 -15.450 512 HD12 LEU 85 HD12 LEU 85 12.789 10.774 -16.503 513 HD13 LEU 85 HD13 LEU 85 12.035 11.102 -14.920 514 HD21 LEU 85 HD21 LEU 85 13.800 7.961 -14.282 515 HD22 LEU 85 HD22 LEU 85 12.244 8.803 -14.248 516 HD23 LEU 85 HD23 LEU 85 12.981 8.379 -15.805 517 H GLY 86 H GLY 86 18.380 10.297 -16.092 518 HA2 GLY 86 HA2 GLY 86 19.917 9.570 -17.670 519 HA3 GLY 86 HA3 GLY 86 19.480 7.879 -17.343 520 H ARG 87 H ARG 87 17.201 10.461 -18.086 521 HA ARG 87 HA ARG 87 16.453 9.399 -20.754 522 HB2 ARG 87 HB2 ARG 87 15.395 8.202 -18.548 523 HB3 ARG 87 HB3 ARG 87 14.331 9.617 -18.610 524 HG2 ARG 87 HG2 ARG 87 13.647 8.985 -20.894 525 HG3 ARG 87 HG3 ARG 87 14.714 7.562 -20.809 526 HD2 ARG 87 HD2 ARG 87 13.482 6.746 -18.808 527 HD3 ARG 87 HD3 ARG 87 12.488 8.191 -18.806 528 HE ARG 87 HE ARG 87 11.318 7.482 -20.713 529 HH11 ARG 87 HH22 ARG 87 13.776 5.070 -19.985 530 HH12 ARG 87 HH21 ARG 87 13.017 3.863 -20.982 531 HH21 ARG 87 HH12 ARG 87 10.405 5.873 -21.961 532 HH22 ARG 87 HH11 ARG 87 11.167 4.314 -22.077 533 H GLN 88 H GLN 88 15.485 11.003 -21.997 534 HA GLN 88 HA GLN 88 15.089 13.681 -20.772 535 HB2 GLN 88 HB2 GLN 88 14.822 14.462 -22.992 536 HB3 GLN 88 HB3 GLN 88 16.268 13.439 -22.894 537 HG2 GLN 88 HG2 GLN 88 15.034 11.607 -24.024 538 HG3 GLN 88 HG3 GLN 88 13.583 12.619 -24.087 539 HE21 GLN 88 HE22 GLN 88 13.719 14.681 -25.401 540 HE22 GLN 88 HE21 GLN 88 14.825 14.685 -26.766 541 H SER 89 H SER 89 13.011 11.037 -21.379 542 HA SER 89 HA SER 89 10.736 12.754 -20.642 543 HB2 SER 89 HB2 SER 89 9.367 12.288 -22.584 544 HB3 SER 89 HB3 SER 89 10.874 13.045 -23.098 545 HG SER 89 HG SER 89 11.634 10.993 -23.758 546 H PHE 90 H PHE 90 8.786 11.891 -20.207 547 HA PHE 90 HA PHE 90 8.109 9.096 -20.162 548 HB2 PHE 90 HB2 PHE 90 7.937 8.842 -17.725 549 HB3 PHE 90 HB3 PHE 90 9.599 9.072 -18.210 550 HD1 PHE 90 HD1 PHE 90 10.788 11.217 -17.746 551 HD2 PHE 90 HD2 PHE 90 6.791 10.478 -16.302 552 HE1 PHE 90 HE1 PHE 90 11.025 13.088 -16.171 553 HE2 PHE 90 HE2 PHE 90 7.023 12.359 -14.713 554 HZ PHE 90 HZ PHE 90 9.141 13.665 -14.604 555 H SER 91 H SER 91 5.893 8.985 -18.762 556 HA SER 91 HA SER 91 4.395 11.570 -18.942 557 HB2 SER 91 HB2 SER 91 3.858 10.432 -20.994 558 HB3 SER 91 HB3 SER 91 3.575 8.904 -20.141 559 HG SER 91 HG SER 91 1.654 10.188 -20.707 560 H VAL 92 H VAL 92 2.597 11.750 -17.436 561 HA VAL 92 HA VAL 92 2.735 10.194 -15.052 562 HB VAL 92 HB VAL 92 0.983 11.412 -14.295 563 HG11 VAL 92 HG11 VAL 92 1.858 13.331 -16.446 564 HG12 VAL 92 HG12 VAL 92 1.279 13.700 -14.820 565 HG13 VAL 92 HG13 VAL 92 2.856 12.918 -15.027 566 HG21 VAL 92 HG21 VAL 92 -0.847 10.884 -15.699 567 HG22 VAL 92 HG22 VAL 92 -0.701 12.640 -15.756 568 HG23 VAL 92 HG23 VAL 92 -0.081 11.655 -17.097 569 H LYS 93 H LYS 93 1.290 9.561 -18.114 570 HA LYS 93 HA LYS 93 -0.473 7.361 -17.190 571 HB2 LYS 93 HB2 LYS 93 0.106 8.474 -19.967 572 HB3 LYS 93 HB3 LYS 93 -1.117 7.265 -19.582 573 HG2 LYS 93 HG2 LYS 93 -2.387 8.850 -18.242 574 HG3 LYS 93 HG3 LYS 93 -1.123 10.076 -18.400 575 HD2 LYS 93 HD2 LYS 93 -1.472 10.155 -20.850 576 HD3 LYS 93 HD3 LYS 93 -2.812 8.996 -20.685 577 HE2 LYS 93 HE2 LYS 93 -4.034 10.550 -19.232 578 HE3 LYS 93 HE3 LYS 93 -2.667 11.669 -19.206 579 HZ1 LYS 93 HZ1 LYS 93 -4.366 12.381 -20.792 580 HZ2 LYS 93 HZ2 LYS 93 -2.988 12.042 -21.593 581 HZ3 LYS 93 HZ3 LYS 93 -4.245 10.990 -21.636 582 H ASP 94 H ASP 94 2.783 7.685 -17.987 583 HA ASP 94 HA ASP 94 3.164 4.782 -18.054 584 HB2 ASP 94 HB2 ASP 94 2.943 5.367 -20.448 585 HB3 ASP 94 HB3 ASP 94 4.230 6.560 -20.285 586 HA PRO 95 HA PRO 95 6.165 7.473 -15.727 587 HB2 PRO 95 HB2 PRO 95 5.438 7.163 -13.171 588 HB3 PRO 95 HB3 PRO 95 4.392 8.045 -14.323 589 HG2 PRO 95 HG2 PRO 95 4.176 5.112 -13.511 590 HG3 PRO 95 HG3 PRO 95 2.890 6.361 -13.444 591 HD2 PRO 95 HD2 PRO 95 3.195 4.674 -15.589 592 HD3 PRO 95 HD3 PRO 95 2.629 6.362 -15.751 593 H SER 96 H SER 96 5.972 4.142 -15.976 594 HA SER 96 HA SER 96 7.221 2.876 -13.990 595 HB2 SER 96 HB2 SER 96 7.830 2.433 -16.931 596 HB3 SER 96 HB3 SER 96 8.054 1.254 -15.622 597 HG SER 96 HG SER 96 6.033 0.983 -16.719 598 HA PRO 97 HA PRO 97 11.775 3.705 -15.255 599 HB2 PRO 97 HB2 PRO 97 12.474 6.095 -16.427 600 HB3 PRO 97 HB3 PRO 97 12.088 4.604 -17.335 601 HG2 PRO 97 HG2 PRO 97 10.208 6.898 -16.667 602 HG3 PRO 97 HG3 PRO 97 10.503 6.147 -18.269 603 HD2 PRO 97 HD2 PRO 97 8.413 5.394 -16.841 604 HD3 PRO 97 HD3 PRO 97 9.397 4.140 -17.637 605 H LEU 98 H LEU 98 9.616 6.294 -14.094 606 HA LEU 98 HA LEU 98 11.618 7.494 -12.367 607 HB2 LEU 98 HB2 LEU 98 10.055 9.053 -11.983 608 HB3 LEU 98 HB3 LEU 98 9.232 8.318 -13.326 609 HG LEU 98 HG LEU 98 7.859 6.989 -11.624 610 HD11 LEU 98 HD11 LEU 98 9.195 7.402 -9.541 611 HD12 LEU 98 HD12 LEU 98 8.941 9.143 -9.744 612 HD13 LEU 98 HD13 LEU 98 7.574 8.060 -9.411 613 HD21 LEU 98 HD21 LEU 98 7.057 8.946 -12.920 614 HD22 LEU 98 HD22 LEU 98 6.341 8.882 -11.305 615 HD23 LEU 98 HD23 LEU 98 7.667 10.019 -11.647 616 H TYR 99 H TYR 99 9.052 5.000 -11.873 617 HA TYR 99 HA TYR 99 9.604 4.667 -9.101 618 HB2 TYR 99 HB2 TYR 99 8.438 2.792 -11.210 619 HB3 TYR 99 HB3 TYR 99 8.578 2.352 -9.521 620 HD1 TYR 99 HD2 TYR 99 6.989 4.833 -11.830 621 HD2 TYR 99 HD1 TYR 99 6.994 3.074 -7.889 622 HE1 TYR 99 HE2 TYR 99 4.892 6.035 -11.291 623 HE2 TYR 99 HE1 TYR 99 4.819 4.177 -7.400 624 HH TYR 99 HH TYR 99 3.130 5.514 -8.201 625 H ASP 100 H ASP 100 11.229 3.398 -11.955 626 HA ASP 100 HA ASP 100 12.903 1.456 -10.600 627 HB2 ASP 100 HB2 ASP 100 12.308 1.590 -13.073 628 HB3 ASP 100 HB3 ASP 100 13.462 2.898 -13.182 629 H MET 101 H MET 101 13.311 4.838 -11.632 630 HA MET 101 HA MET 101 15.969 5.189 -10.629 631 HB2 MET 101 HB2 MET 101 15.830 7.292 -11.384 632 HB3 MET 101 HB3 MET 101 14.334 6.753 -12.135 633 HG2 MET 101 HG2 MET 101 13.218 7.481 -9.915 634 HG3 MET 101 HG3 MET 101 14.706 8.326 -9.566 635 HE1 MET 101 HE1 MET 101 11.529 10.621 -10.573 636 HE2 MET 101 HE2 MET 101 11.465 8.945 -9.967 637 HE3 MET 101 HE3 MET 101 12.538 10.137 -9.189 638 H LEU 102 H LEU 102 12.869 5.129 -8.913 639 HA LEU 102 HA LEU 102 14.028 6.203 -6.437 640 HB2 LEU 102 HB2 LEU 102 11.316 4.916 -6.956 641 HB3 LEU 102 HB3 LEU 102 11.840 5.670 -5.458 642 HG LEU 102 HG LEU 102 11.337 7.076 -8.104 643 HD11 LEU 102 HD11 LEU 102 9.907 7.237 -5.426 644 HD12 LEU 102 HD12 LEU 102 9.494 8.144 -6.899 645 HD13 LEU 102 HD13 LEU 102 9.316 6.383 -6.871 646 HD21 LEU 102 HD21 LEU 102 13.167 8.240 -6.937 647 HD22 LEU 102 HD22 LEU 102 11.680 9.192 -6.954 648 HD23 LEU 102 HD23 LEU 102 12.156 8.347 -5.474 649 H ARG 103 H ARG 103 13.000 3.006 -7.795 650 HA ARG 103 HA ARG 103 13.171 1.479 -5.535 651 HB2 ARG 103 HB2 ARG 103 13.970 0.806 -8.397 652 HB3 ARG 103 HB3 ARG 103 14.000 -0.414 -7.132 653 HG2 ARG 103 HG2 ARG 103 11.714 0.652 -8.643 654 HG3 ARG 103 HG3 ARG 103 12.001 -0.931 -7.997 655 HD2 ARG 103 HD2 ARG 103 11.047 1.472 -6.399 656 HD3 ARG 103 HD3 ARG 103 10.032 0.160 -7.013 657 HE ARG 103 HE ARG 103 11.956 -1.167 -5.532 658 HH11 ARG 103 HH11 ARG 103 9.543 1.241 -4.725 659 HH12 ARG 103 HH12 ARG 103 9.420 0.700 -3.075 660 HH21 ARG 103 HH21 ARG 103 11.730 -1.828 -3.432 661 HH22 ARG 103 HH22 ARG 103 10.640 -0.995 -2.363 662 H LYS 104 H LYS 104 16.006 2.141 -7.590 663 HA LYS 104 HA LYS 104 17.819 0.947 -5.626 664 HB2 LYS 104 HB2 LYS 104 19.533 1.650 -7.381 665 HB3 LYS 104 HB3 LYS 104 18.444 0.324 -7.701 666 HG2 LYS 104 HG2 LYS 104 18.832 1.753 -9.667 667 HG3 LYS 104 HG3 LYS 104 17.143 1.603 -9.225 668 HD2 LYS 104 HD2 LYS 104 17.674 3.877 -9.933 669 HD3 LYS 104 HD3 LYS 104 17.095 3.812 -8.279 670 HE2 LYS 104 HE2 LYS 104 18.845 5.436 -8.402 671 HE3 LYS 104 HE3 LYS 104 19.412 4.092 -7.427 672 HZ1 LYS 104 HZ1 LYS 104 20.670 3.284 -9.398 673 HZ2 LYS 104 HZ2 LYS 104 20.115 4.523 -10.307 674 HZ3 LYS 104 HZ3 LYS 104 21.111 4.811 -9.051 675 H ASN 105 H ASN 105 16.590 4.130 -5.967 676 HA ASN 105 HA ASN 105 18.961 5.434 -4.702 677 HB2 ASN 105 HB2 ASN 105 17.525 6.515 -6.482 678 HB3 ASN 105 HB3 ASN 105 16.282 6.697 -5.226 679 HD21 ASN 105 HD22 ASN 105 19.641 7.407 -6.162 680 HD22 ASN 105 HD21 ASN 105 19.919 8.577 -4.903 681 H LEU 106 H LEU 106 15.537 4.707 -4.001 682 HA LEU 106 HA LEU 106 16.238 4.186 -1.177 683 HB2 LEU 106 HB2 LEU 106 14.585 5.531 -0.236 684 HB3 LEU 106 HB3 LEU 106 15.600 6.530 -1.258 685 HG LEU 106 HG LEU 106 12.792 5.618 -2.056 686 HD11 LEU 106 HD11 LEU 106 13.734 8.215 -0.779 687 HD12 LEU 106 HD12 LEU 106 12.108 7.906 -1.435 688 HD13 LEU 106 HD13 LEU 106 12.680 6.986 -0.046 689 HD21 LEU 106 HD21 LEU 106 14.720 7.688 -3.192 690 HD22 LEU 106 HD22 LEU 106 14.021 6.273 -4.013 691 HD23 LEU 106 HD23 LEU 106 12.984 7.626 -3.567 692 H VAL 107 H VAL 107 15.362 2.485 -0.311 693 HA VAL 107 HA VAL 107 13.213 1.015 -1.721 694 HB VAL 107 HB VAL 107 15.027 0.186 0.577 695 HG11 VAL 107 HG11 VAL 107 13.047 -1.240 0.632 696 HG12 VAL 107 HG12 VAL 107 13.155 -1.515 -1.124 697 HG13 VAL 107 HG13 VAL 107 14.396 -2.154 -0.026 698 HG21 VAL 107 HG21 VAL 107 16.299 0.538 -1.521 699 HG22 VAL 107 HG22 VAL 107 16.208 -1.175 -1.124 700 HG23 VAL 107 HG23 VAL 107 15.157 -0.507 -2.391 701 H THR 108 H THR 108 13.495 3.034 0.872 702 HA THR 108 HA THR 108 12.379 3.570 2.799 703 HB THR 108 HB THR 108 10.871 4.444 1.111 704 HG1 THR 108 HG1 THR 108 9.282 4.837 2.636 705 HG21 THR 108 HG21 THR 108 9.181 1.969 1.662 706 HG22 THR 108 HG22 THR 108 8.542 3.493 1.037 707 HG23 THR 108 HG23 THR 108 9.729 2.597 0.091 708 H LEU 109 H LEU 109 9.961 2.483 3.922 709 HA LEU 109 HA LEU 109 11.059 0.370 5.533 710 HB2 LEU 109 HB2 LEU 109 9.458 2.148 6.173 711 HB3 LEU 109 HB3 LEU 109 8.198 1.282 5.277 712 HG LEU 109 HG LEU 109 8.218 -0.541 6.862 713 HD11 LEU 109 HD11 LEU 109 10.684 0.761 8.119 714 HD12 LEU 109 HD12 LEU 109 9.744 -0.560 8.850 715 HD13 LEU 109 HD13 LEU 109 10.609 -0.840 7.342 716 HD21 LEU 109 HD21 LEU 109 7.082 1.551 7.523 717 HD22 LEU 109 HD22 LEU 109 7.685 0.650 8.930 718 HD23 LEU 109 HD23 LEU 109 8.572 2.080 8.345 719 H ALA 110 H ALA 110 9.919 0.106 2.424 720 HA ALA 110 HA ALA 110 8.038 -1.953 2.395 721 HB1 ALA 110 HB1 ALA 110 10.131 -1.275 0.286 722 HB2 ALA 110 HB2 ALA 110 8.568 -2.072 0.006 723 HB3 ALA 110 HB3 ALA 110 8.624 -0.371 0.528 724 H THR 111 H THR 111 8.096 -4.162 2.228 725 HA THR 111 HA THR 111 10.658 -5.657 2.241 726 HB THR 111 HB THR 111 10.118 -4.985 4.547 727 HG1 THR 111 HG1 THR 111 10.474 -7.063 5.352 728 HG21 THR 111 HG21 THR 111 7.640 -5.076 4.505 729 HG22 THR 111 HG22 THR 111 7.708 -6.846 4.343 730 HG23 THR 111 HG23 THR 111 8.326 -6.054 5.807 731 HD1 48M 200 HD1 48M 200 2.487 14.836 -12.886 732 HD2 48M 200 HD2 48M 200 3.042 13.294 -8.895 733 HD3 48M 200 HD3 48M 200 -0.592 11.693 -8.573 734 HD4 48M 200 HD4 48M 200 1.727 11.923 -12.182 735 HD5 48M 200 HD5 48M 200 -2.204 13.901 -13.749 736 HE1 48M 200 HE1 48M 200 4.743 14.048 -13.494 737 HE2 48M 200 HE2 48M 200 5.275 12.473 -9.541 738 HE3 48M 200 HE3 48M 200 0.058 9.321 -8.302 739 HE5 48M 200 HE5 48M 200 -3.061 14.712 -15.890 740 HE6 48M 200 HE6 48M 200 -0.070 17.773 -15.967 741 HZ2 48M 200 HZ2 48M 200 1.552 8.246 -9.971 742 HM21 48M 200 HM21 48M 200 3.409 15.885 -14.806 743 HM22 48M 200 HM22 48M 200 2.180 16.123 -16.053 744 HM23 48M 200 HM23 48M 200 3.628 17.131 -16.044 745 HM31 48M 200 HM31 48M 200 3.884 18.918 -14.029 746 HM32 48M 200 HM32 48M 200 2.615 18.913 -12.802 747 HM33 48M 200 HM33 48M 200 3.685 17.515 -12.957 748 HN1 48M 200 HN1 48M 200 -2.962 20.284 -12.478 749 H21 48M 200 H21 48M 200 -3.615 18.022 -12.101 750 H22 48M 200 H22 48M 200 -2.258 17.849 -13.230 751 H31 48M 200 H31 48M 200 -2.167 17.647 -10.191 752 H32 48M 200 H32 48M 200 -1.948 16.332 -11.319 753 H41 48M 200 H41 48M 200 0.802 19.508 -11.526 754 H42 48M 200 H42 48M 200 0.001 19.438 -9.941 755 H7 48M 200 H7 48M 200 -0.646 13.651 -9.756 756 H8 48M 200 H8 48M 200 1.199 14.905 -9.407 757 H9 48M 200 H9 48M 200 1.739 18.466 -15.120 Start of MODEL 6 1 H1 GLN 23 H GLN 23 4.988 14.717 13.040 2 HA GLN 23 HA GLN 23 7.554 15.202 11.789 3 HB2 GLN 23 HB2 GLN 23 7.542 13.482 14.306 4 HB3 GLN 23 HB3 GLN 23 8.910 13.740 13.227 5 HG2 GLN 23 HG2 GLN 23 7.594 15.845 14.999 6 HG3 GLN 23 HG3 GLN 23 9.141 15.059 15.269 7 HE21 GLN 23 HE22 GLN 23 7.453 17.494 13.295 8 HE22 GLN 23 HE21 GLN 23 8.927 18.195 12.633 9 H ILE 24 H ILE 24 8.428 13.413 10.699 10 HA ILE 24 HA ILE 24 6.390 11.381 9.919 11 HB ILE 24 HB ILE 24 8.669 12.682 8.384 12 HG12 ILE 24 HG12 ILE 24 5.729 12.827 7.665 13 HG13 ILE 24 HG13 ILE 24 6.439 14.002 8.773 14 HG21 ILE 24 HG21 ILE 24 8.463 10.412 7.593 15 HG22 ILE 24 HG22 ILE 24 6.686 10.502 7.557 16 HG23 ILE 24 HG23 ILE 24 7.661 11.416 6.393 17 HD11 ILE 24 HD11 ILE 24 7.262 13.562 5.880 18 HD12 ILE 24 HD12 ILE 24 6.420 14.955 6.571 19 HD13 ILE 24 HD13 ILE 24 8.104 14.634 7.025 20 H ASN 25 H ASN 25 6.966 9.273 9.509 21 HA ASN 25 HA ASN 25 9.462 8.303 10.827 22 HB2 ASN 25 HB2 ASN 25 6.817 6.834 10.566 23 HB3 ASN 25 HB3 ASN 25 8.188 6.459 11.602 24 HD21 ASN 25 HD22 ASN 25 8.705 8.836 12.959 25 HD22 ASN 25 HD21 ASN 25 7.253 9.350 13.801 26 H GLN 26 H GLN 26 9.803 9.003 8.330 27 HA GLN 26 HA GLN 26 9.791 6.570 6.590 28 HB2 GLN 26 HB2 GLN 26 9.036 9.341 5.699 29 HB3 GLN 26 HB3 GLN 26 9.246 7.930 4.672 30 HG2 GLN 26 HG2 GLN 26 7.225 8.203 6.871 31 HG3 GLN 26 HG3 GLN 26 6.921 8.281 5.152 32 HE21 GLN 26 HE22 GLN 26 8.602 5.857 4.400 33 HE22 GLN 26 HE21 GLN 26 7.723 4.519 5.091 34 H VAL 27 H VAL 27 11.024 7.375 4.458 35 HA VAL 27 HA VAL 27 13.800 7.633 5.512 36 HB VAL 27 HB VAL 27 14.526 6.173 3.678 37 HG11 VAL 27 HG11 VAL 27 12.137 4.931 5.096 38 HG12 VAL 27 HG12 VAL 27 13.550 4.100 4.419 39 HG13 VAL 27 HG13 VAL 27 13.745 5.166 5.816 40 HG21 VAL 27 HG21 VAL 27 11.599 5.909 2.862 41 HG22 VAL 27 HG22 VAL 27 12.810 6.861 1.977 42 HG23 VAL 27 HG23 VAL 27 13.013 5.118 2.133 43 H ARG 28 H ARG 28 15.537 8.222 4.149 44 HA ARG 28 HA ARG 28 14.918 10.766 2.756 45 HB2 ARG 28 HB2 ARG 28 16.116 10.936 4.852 46 HB3 ARG 28 HB3 ARG 28 17.360 9.817 4.295 47 HG2 ARG 28 HG2 ARG 28 18.167 11.427 2.650 48 HG3 ARG 28 HG3 ARG 28 16.821 12.526 2.993 49 HD2 ARG 28 HD2 ARG 28 17.604 12.692 5.365 50 HD3 ARG 28 HD3 ARG 28 18.994 11.685 4.970 51 HE ARG 28 HE ARG 28 18.555 14.526 4.310 52 HH11 ARG 28 HH11 ARG 28 20.634 11.795 3.496 53 HH12 ARG 28 HH12 ARG 28 21.905 12.868 2.977 54 HH21 ARG 28 HH21 ARG 28 20.061 15.716 3.699 55 HH22 ARG 28 HH22 ARG 28 21.599 15.109 3.072 56 HA PRO 29 HA PRO 29 16.679 8.770 -0.920 57 HB2 PRO 29 HB2 PRO 29 16.294 10.746 -2.714 58 HB3 PRO 29 HB3 PRO 29 14.933 9.806 -2.038 59 HG2 PRO 29 HG2 PRO 29 15.910 12.545 -1.181 60 HG3 PRO 29 HG3 PRO 29 14.232 12.019 -1.512 61 HD2 PRO 29 HD2 PRO 29 15.305 12.096 1.016 62 HD3 PRO 29 HD3 PRO 29 14.066 10.897 0.532 63 H LYS 30 H LYS 30 18.435 9.258 -2.502 64 HA LYS 30 HA LYS 30 20.769 10.328 -1.093 65 HB2 LYS 30 HB2 LYS 30 20.350 8.255 -2.835 66 HB3 LYS 30 HB3 LYS 30 21.021 9.432 -3.943 67 HG2 LYS 30 HG2 LYS 30 22.371 8.624 -1.325 68 HG3 LYS 30 HG3 LYS 30 22.532 7.694 -2.811 69 HD2 LYS 30 HD2 LYS 30 23.418 9.775 -3.953 70 HD3 LYS 30 HD3 LYS 30 23.545 10.526 -2.353 71 HE2 LYS 30 HE2 LYS 30 24.879 7.917 -3.209 72 HE3 LYS 30 HE3 LYS 30 25.662 9.495 -3.221 73 HZ1 LYS 30 HZ1 LYS 30 25.352 9.607 -0.795 74 HZ2 LYS 30 HZ2 LYS 30 24.647 8.127 -0.776 75 HZ3 LYS 30 HZ3 LYS 30 26.208 8.286 -1.204 76 H LEU 31 H LEU 31 22.222 11.805 -2.071 77 HA LEU 31 HA LEU 31 21.285 14.316 -2.190 78 HB2 LEU 31 HB2 LEU 31 23.568 13.570 -1.732 79 HB3 LEU 31 HB3 LEU 31 23.879 13.298 -3.428 80 HG LEU 31 HG LEU 31 24.897 15.313 -2.418 81 HD11 LEU 31 HD11 LEU 31 24.506 15.173 -4.878 82 HD12 LEU 31 HD12 LEU 31 23.018 16.125 -4.666 83 HD13 LEU 31 HD13 LEU 31 24.589 16.818 -4.237 84 HD21 LEU 31 HD21 LEU 31 22.102 16.520 -2.380 85 HD22 LEU 31 HD22 LEU 31 22.999 15.961 -0.948 86 HD23 LEU 31 HD23 LEU 31 23.635 17.297 -1.914 87 HA PRO 32 HA PRO 32 21.283 14.922 -6.991 88 HB2 PRO 32 HB2 PRO 32 20.898 12.644 -8.549 89 HB3 PRO 32 HB3 PRO 32 22.492 13.417 -8.251 90 HG2 PRO 32 HG2 PRO 32 21.229 11.066 -6.808 91 HG3 PRO 32 HG3 PRO 32 22.910 11.222 -7.416 92 HD2 PRO 32 HD2 PRO 32 22.374 11.642 -4.837 93 HD3 PRO 32 HD3 PRO 32 23.484 12.750 -5.690 94 H LEU 33 H LEU 33 19.391 12.485 -5.401 95 HA LEU 33 HA LEU 33 17.013 13.157 -6.991 96 HB2 LEU 33 HB2 LEU 33 17.824 10.840 -6.175 97 HB3 LEU 33 HB3 LEU 33 17.196 11.297 -4.593 98 HG LEU 33 HG LEU 33 15.620 11.425 -7.183 99 HD11 LEU 33 HD11 LEU 33 16.276 9.110 -6.779 100 HD12 LEU 33 HD12 LEU 33 15.502 9.195 -5.158 101 HD13 LEU 33 HD13 LEU 33 14.550 9.358 -6.653 102 HD21 LEU 33 HD21 LEU 33 14.671 11.442 -4.297 103 HD22 LEU 33 HD22 LEU 33 14.495 12.732 -5.507 104 HD23 LEU 33 HD23 LEU 33 13.611 11.238 -5.705 105 H LEU 34 H LEU 34 18.111 13.454 -3.585 106 HA LEU 34 HA LEU 34 15.952 14.979 -2.592 107 HB2 LEU 34 HB2 LEU 34 17.853 13.933 -1.297 108 HB3 LEU 34 HB3 LEU 34 18.923 15.189 -1.907 109 HG LEU 34 HG LEU 34 17.574 16.919 -0.720 110 HD11 LEU 34 HD11 LEU 34 15.359 15.857 -0.630 111 HD12 LEU 34 HD12 LEU 34 16.015 14.511 0.341 112 HD13 LEU 34 HD13 LEU 34 15.932 16.149 1.009 113 HD21 LEU 34 HD21 LEU 34 19.518 15.855 0.375 114 HD22 LEU 34 HD22 LEU 34 18.266 16.283 1.550 115 HD23 LEU 34 HD23 LEU 34 18.456 14.591 1.039 116 H LYS 35 H LYS 35 18.835 16.149 -4.438 117 HA LYS 35 HA LYS 35 18.238 18.865 -4.339 118 HB2 LYS 35 HB2 LYS 35 20.231 17.371 -5.470 119 HB3 LYS 35 HB3 LYS 35 19.299 17.710 -6.922 120 HG2 LYS 35 HG2 LYS 35 20.915 19.473 -6.726 121 HG3 LYS 35 HG3 LYS 35 19.375 20.176 -6.236 122 HD2 LYS 35 HD2 LYS 35 20.785 20.943 -4.559 123 HD3 LYS 35 HD3 LYS 35 20.130 19.478 -3.786 124 HE2 LYS 35 HE2 LYS 35 22.099 18.222 -4.214 125 HE3 LYS 35 HE3 LYS 35 22.736 19.439 -5.337 126 HZ1 LYS 35 HZ1 LYS 35 22.389 19.867 -2.405 127 HZ2 LYS 35 HZ2 LYS 35 23.819 19.636 -3.169 128 HZ3 LYS 35 HZ3 LYS 35 22.954 20.981 -3.456 129 H ILE 36 H ILE 36 16.672 16.508 -6.523 130 HA ILE 36 HA ILE 36 15.260 18.403 -8.194 131 HB ILE 36 HB ILE 36 14.371 15.654 -7.292 132 HG12 ILE 36 HG12 ILE 36 16.478 15.410 -8.271 133 HG13 ILE 36 HG13 ILE 36 15.290 14.996 -9.509 134 HG21 ILE 36 HG21 ILE 36 13.035 15.712 -9.365 135 HG22 ILE 36 HG22 ILE 36 12.512 16.922 -8.194 136 HG23 ILE 36 HG23 ILE 36 13.476 17.418 -9.604 137 HD11 ILE 36 HD11 ILE 36 16.995 17.503 -9.336 138 HD12 ILE 36 HD12 ILE 36 17.092 16.184 -10.502 139 HD13 ILE 36 HD13 ILE 36 15.684 17.275 -10.525 140 H LEU 37 H LEU 37 14.389 16.672 -5.142 141 HA LEU 37 HA LEU 37 11.776 17.702 -4.736 142 HB2 LEU 37 HB2 LEU 37 13.893 16.448 -2.920 143 HB3 LEU 37 HB3 LEU 37 12.316 16.894 -2.318 144 HG LEU 37 HG LEU 37 11.223 15.257 -3.414 145 HD11 LEU 37 HD11 LEU 37 11.914 15.470 -5.709 146 HD12 LEU 37 HD12 LEU 37 13.485 14.732 -5.319 147 HD13 LEU 37 HD13 LEU 37 11.995 13.784 -5.183 148 HD21 LEU 37 HD21 LEU 37 12.392 13.172 -2.923 149 HD22 LEU 37 HD22 LEU 37 13.941 14.026 -2.917 150 HD23 LEU 37 HD23 LEU 37 12.720 14.379 -1.664 151 H HIS 38 H HIS 38 14.916 18.727 -3.387 152 HA HIS 38 HA HIS 38 13.845 20.975 -1.893 153 HB2 HIS 38 HB2 HIS 38 16.576 19.947 -2.666 154 HB3 HIS 38 HB3 HIS 38 16.390 21.521 -1.877 155 HD2 HIS 38 HD2 HIS 38 13.857 19.015 -0.646 156 HE1 HIS 38 HE1 HIS 38 16.867 19.178 2.364 157 HE2 HIS 38 HE2 HIS 38 14.497 18.385 1.835 158 H ALA 39 H ALA 39 15.326 20.727 -5.159 159 HA ALA 39 HA ALA 39 15.237 23.496 -5.809 160 HB1 ALA 39 HB1 ALA 39 16.520 21.888 -7.106 161 HB2 ALA 39 HB2 ALA 39 15.065 20.961 -7.501 162 HB3 ALA 39 HB3 ALA 39 15.288 22.611 -8.148 163 H ALA 40 H ALA 40 12.709 21.022 -5.711 164 HA ALA 40 HA ALA 40 10.719 22.791 -6.858 165 HB1 ALA 40 HB1 ALA 40 10.044 20.319 -5.267 166 HB2 ALA 40 HB2 ALA 40 9.300 20.983 -6.745 167 HB3 ALA 40 HB3 ALA 40 10.863 20.158 -6.822 168 H GLY 41 H GLY 41 11.972 22.307 -3.596 169 HA2 GLY 41 HA2 GLY 41 11.402 23.532 -1.669 170 HA3 GLY 41 HA3 GLY 41 9.886 24.049 -2.398 171 H ALA 42 H ALA 42 11.573 21.205 -1.060 172 HA ALA 42 HA ALA 42 9.118 19.715 -0.502 173 HB1 ALA 42 HB1 ALA 42 11.287 18.662 -1.171 174 HB2 ALA 42 HB2 ALA 42 11.931 19.126 0.432 175 HB3 ALA 42 HB3 ALA 42 10.563 18.006 0.294 176 H GLN 43 H GLN 43 8.711 18.836 1.695 177 HA GLN 43 HA GLN 43 8.850 20.999 3.719 178 HB2 GLN 43 HB2 GLN 43 6.649 20.070 2.682 179 HB3 GLN 43 HB3 GLN 43 6.906 18.684 3.736 180 HG2 GLN 43 HG2 GLN 43 5.375 20.285 4.756 181 HG3 GLN 43 HG3 GLN 43 6.836 20.207 5.718 182 HE21 GLN 43 HE22 GLN 43 7.428 22.263 6.442 183 HE22 GLN 43 HE21 GLN 43 7.198 23.733 5.507 184 H GLY 44 H GLY 44 11.046 19.136 3.300 185 HA2 GLY 44 HA2 GLY 44 12.105 18.648 5.765 186 HA3 GLY 44 HA3 GLY 44 11.041 17.260 5.563 187 H GLU 45 H GLU 45 12.948 16.016 5.777 188 HA GLU 45 HA GLU 45 14.236 15.463 3.126 189 HB2 GLU 45 HB2 GLU 45 15.529 15.395 5.878 190 HB3 GLU 45 HB3 GLU 45 16.250 14.717 4.414 191 HG2 GLU 45 HG2 GLU 45 16.200 16.949 3.341 192 HG3 GLU 45 HG3 GLU 45 15.531 17.648 4.818 193 H MET 46 H MET 46 12.177 14.212 5.481 194 HA MET 46 HA MET 46 12.813 11.327 4.829 195 HB2 MET 46 HB2 MET 46 11.911 12.608 7.435 196 HB3 MET 46 HB3 MET 46 11.714 10.908 7.067 197 HG2 MET 46 HG2 MET 46 13.682 11.018 8.322 198 HG3 MET 46 HG3 MET 46 14.181 10.721 6.666 199 HE1 MET 46 HE1 MET 46 14.028 13.223 9.665 200 HE2 MET 46 HE2 MET 46 14.789 14.691 9.015 201 HE3 MET 46 HE3 MET 46 13.178 14.208 8.451 202 H PHE 47 H PHE 47 11.273 10.766 3.355 203 HA PHE 47 HA PHE 47 8.389 11.192 3.996 204 HB2 PHE 47 HB2 PHE 47 8.744 11.708 1.198 205 HB3 PHE 47 HB3 PHE 47 8.009 12.690 2.449 206 HD1 PHE 47 HD1 PHE 47 11.469 11.732 1.335 207 HD2 PHE 47 HD2 PHE 47 8.797 14.876 2.567 208 HE1 PHE 47 HE1 PHE 47 13.252 13.384 0.956 209 HE2 PHE 47 HE2 PHE 47 10.550 16.566 2.058 210 HZ PHE 47 HZ PHE 47 12.783 15.831 1.230 211 H THR 48 H THR 48 6.914 9.987 2.507 212 HA THR 48 HA THR 48 7.839 7.270 1.846 213 HB THR 48 HB THR 48 5.440 7.024 0.993 214 HG1 THR 48 HG1 THR 48 4.201 8.976 1.758 215 HG21 THR 48 HG21 THR 48 4.440 6.984 3.106 216 HG22 THR 48 HG22 THR 48 6.163 6.802 3.497 217 HG23 THR 48 HG23 THR 48 5.363 8.382 3.686 218 H VAL 49 H VAL 49 7.556 6.332 -0.317 219 HA VAL 49 HA VAL 49 8.661 7.465 -2.607 220 HB VAL 49 HB VAL 49 6.575 5.302 -2.277 221 HG11 VAL 49 HG11 VAL 49 7.185 4.539 -4.549 222 HG12 VAL 49 HG12 VAL 49 6.380 6.106 -4.600 223 HG13 VAL 49 HG13 VAL 49 8.147 6.010 -4.785 224 HG21 VAL 49 HG21 VAL 49 8.841 4.870 -1.297 225 HG22 VAL 49 HG22 VAL 49 8.495 3.813 -2.669 226 HG23 VAL 49 HG23 VAL 49 9.571 5.210 -2.878 227 H LYS 50 H LYS 50 5.306 7.322 -1.581 228 HA LYS 50 HA LYS 50 3.961 8.788 -3.563 229 HB2 LYS 50 HB2 LYS 50 2.864 7.368 -1.948 230 HB3 LYS 50 HB3 LYS 50 3.606 8.221 -0.611 231 HG2 LYS 50 HG2 LYS 50 2.103 10.259 -1.447 232 HG3 LYS 50 HG3 LYS 50 1.165 8.953 -2.184 233 HD2 LYS 50 HD2 LYS 50 1.952 9.278 0.753 234 HD3 LYS 50 HD3 LYS 50 0.326 9.466 0.064 235 HE2 LYS 50 HE2 LYS 50 0.462 6.998 -0.607 236 HE3 LYS 50 HE3 LYS 50 1.976 6.903 0.319 237 HZ1 LYS 50 HZ1 LYS 50 -0.682 7.647 1.448 238 HZ2 LYS 50 HZ2 LYS 50 0.067 6.217 1.666 239 HZ3 LYS 50 HZ3 LYS 50 0.706 7.574 2.308 240 H GLU 51 H GLU 51 5.309 10.032 -0.451 241 HA GLU 51 HA GLU 51 4.644 12.785 -1.047 242 HB2 GLU 51 HB2 GLU 51 6.487 11.451 0.936 243 HB3 GLU 51 HB3 GLU 51 6.309 13.211 0.840 244 HG2 GLU 51 HG2 GLU 51 3.941 13.072 1.319 245 HG3 GLU 51 HG3 GLU 51 3.972 11.315 1.311 246 H VAL 52 H VAL 52 7.745 10.920 -1.474 247 HA VAL 52 HA VAL 52 9.217 13.165 -2.386 248 HB VAL 52 HB VAL 52 10.672 11.630 -3.551 249 HG11 VAL 52 HG11 VAL 52 10.972 12.257 -1.151 250 HG12 VAL 52 HG12 VAL 52 10.102 10.775 -0.686 251 HG13 VAL 52 HG13 VAL 52 11.662 10.667 -1.525 252 HG21 VAL 52 HG21 VAL 52 9.102 9.392 -2.461 253 HG22 VAL 52 HG22 VAL 52 9.333 9.747 -4.195 254 HG23 VAL 52 HG23 VAL 52 10.704 9.258 -3.191 255 H MET 53 H MET 53 7.490 10.762 -4.329 256 HA MET 53 HA MET 53 7.894 12.161 -6.770 257 HB2 MET 53 HB2 MET 53 6.508 10.697 -7.857 258 HB3 MET 53 HB3 MET 53 7.279 9.757 -6.586 259 HG2 MET 53 HG2 MET 53 5.201 10.013 -5.204 260 HG3 MET 53 HG3 MET 53 4.434 10.877 -6.531 261 HE1 MET 53 HE1 MET 53 5.388 9.209 -9.144 262 HE2 MET 53 HE2 MET 53 3.966 8.163 -9.265 263 HE3 MET 53 HE3 MET 53 3.775 9.870 -8.802 264 H HIS 54 H HIS 54 5.550 12.976 -4.274 265 HA HIS 54 HA HIS 54 3.829 14.613 -5.944 266 HB2 HIS 54 HB2 HIS 54 3.250 14.040 -3.620 267 HB3 HIS 54 HB3 HIS 54 4.638 14.949 -3.029 268 HD2 HIS 54 HD2 HIS 54 4.474 17.551 -2.808 269 HE1 HIS 54 HE1 HIS 54 0.523 18.074 -4.331 270 HE2 HIS 54 HE2 HIS 54 2.483 19.233 -3.187 271 H TYR 55 H TYR 55 6.971 15.228 -4.319 272 HA TYR 55 HA TYR 55 7.160 17.936 -5.279 273 HB2 TYR 55 HB2 TYR 55 9.444 16.141 -4.472 274 HB3 TYR 55 HB3 TYR 55 9.452 17.897 -4.567 275 HD1 TYR 55 HD2 TYR 55 7.383 19.023 -3.141 276 HD2 TYR 55 HD1 TYR 55 9.325 15.280 -2.306 277 HE1 TYR 55 HE2 TYR 55 6.498 19.089 -0.819 278 HE2 TYR 55 HE1 TYR 55 8.539 15.388 0.037 279 HH TYR 55 HH TYR 55 6.350 17.980 1.205 280 H LEU 56 H LEU 56 8.070 14.810 -6.849 281 HA LEU 56 HA LEU 56 9.474 16.000 -9.068 282 HB2 LEU 56 HB2 LEU 56 7.816 13.474 -8.719 283 HB3 LEU 56 HB3 LEU 56 8.384 13.955 -10.281 284 HG LEU 56 HG LEU 56 9.677 12.220 -8.921 285 HD11 LEU 56 HD11 LEU 56 11.107 14.576 -10.217 286 HD12 LEU 56 HD12 LEU 56 11.789 12.944 -9.987 287 HD13 LEU 56 HD13 LEU 56 10.409 13.191 -11.073 288 HD21 LEU 56 HD21 LEU 56 11.553 13.014 -7.602 289 HD22 LEU 56 HD22 LEU 56 10.974 14.686 -7.727 290 HD23 LEU 56 HD23 LEU 56 10.027 13.468 -6.839 291 H GLY 57 H GLY 57 5.971 15.282 -8.578 292 HA2 GLY 57 HA2 GLY 57 5.034 16.287 -11.055 293 HA3 GLY 57 HA3 GLY 57 4.112 16.234 -9.543 294 H GLN 58 H GLN 58 5.300 18.048 -7.893 295 HA GLN 58 HA GLN 58 4.565 20.550 -9.071 296 HB2 GLN 58 HB2 GLN 58 4.655 21.431 -7.024 297 HB3 GLN 58 HB3 GLN 58 4.649 19.739 -6.548 298 HG2 GLN 58 HG2 GLN 58 7.211 19.910 -6.426 299 HG3 GLN 58 HG3 GLN 58 7.053 21.628 -6.728 300 HE21 GLN 58 HE22 GLN 58 7.904 22.260 -4.620 301 HE22 GLN 58 HE21 GLN 58 7.134 21.795 -3.128 302 H TYR 59 H TYR 59 7.800 19.026 -8.703 303 HA TYR 59 HA TYR 59 9.372 21.252 -9.402 304 HB2 TYR 59 HB2 TYR 59 10.314 19.113 -8.587 305 HB3 TYR 59 HB3 TYR 59 9.802 18.299 -10.034 306 HD1 TYR 59 HD2 TYR 59 10.896 18.751 -12.218 307 HD2 TYR 59 HD1 TYR 59 12.270 20.615 -8.583 308 HE1 TYR 59 HE2 TYR 59 13.153 19.082 -13.249 309 HE2 TYR 59 HE1 TYR 59 14.497 20.983 -9.638 310 HH TYR 59 HH TYR 59 15.339 19.803 -12.868 311 H ILE 60 H ILE 60 7.926 18.655 -11.502 312 HA ILE 60 HA ILE 60 8.793 19.847 -13.966 313 HB ILE 60 HB ILE 60 6.382 18.071 -13.496 314 HG12 ILE 60 HG12 ILE 60 8.974 16.986 -14.616 315 HG13 ILE 60 HG13 ILE 60 8.866 17.209 -12.879 316 HG21 ILE 60 HG21 ILE 60 7.928 18.786 -16.050 317 HG22 ILE 60 HG22 ILE 60 6.725 17.473 -15.938 318 HG23 ILE 60 HG23 ILE 60 6.242 19.141 -15.676 319 HD11 ILE 60 HD11 ILE 60 6.745 15.892 -12.825 320 HD12 ILE 60 HD12 ILE 60 6.947 15.552 -14.553 321 HD13 ILE 60 HD13 ILE 60 8.151 14.967 -13.380 322 H MET 61 H MET 61 5.777 20.269 -12.058 323 HA MET 61 HA MET 61 4.469 21.911 -13.952 324 HB2 MET 61 HB2 MET 61 3.533 20.766 -11.879 325 HB3 MET 61 HB3 MET 61 4.213 22.082 -10.922 326 HG2 MET 61 HG2 MET 61 1.880 22.504 -11.338 327 HG3 MET 61 HG3 MET 61 2.825 23.704 -12.208 328 HE1 MET 61 HE1 MET 61 1.385 23.619 -15.614 329 HE2 MET 61 HE2 MET 61 1.498 24.562 -14.112 330 HE3 MET 61 HE3 MET 61 2.964 23.877 -14.845 331 H VAL 62 H VAL 62 6.732 22.880 -11.307 332 HA VAL 62 HA VAL 62 6.547 25.707 -12.017 333 HB VAL 62 HB VAL 62 6.955 24.878 -9.721 334 HG11 VAL 62 HG11 VAL 62 9.848 24.446 -10.568 335 HG12 VAL 62 HG12 VAL 62 9.186 24.372 -8.926 336 HG13 VAL 62 HG13 VAL 62 8.692 23.176 -10.114 337 HG21 VAL 62 HG21 VAL 62 9.093 26.757 -10.774 338 HG22 VAL 62 HG22 VAL 62 7.412 27.223 -10.401 339 HG23 VAL 62 HG23 VAL 62 8.491 26.664 -9.104 340 H LYS 63 H LYS 63 8.979 23.188 -12.644 341 HA LYS 63 HA LYS 63 10.666 24.934 -14.257 342 HB2 LYS 63 HB2 LYS 63 10.555 21.931 -13.968 343 HB3 LYS 63 HB3 LYS 63 11.820 22.795 -14.842 344 HG2 LYS 63 HG2 LYS 63 11.225 22.979 -11.871 345 HG3 LYS 63 HG3 LYS 63 12.527 22.082 -12.647 346 HD2 LYS 63 HD2 LYS 63 13.359 24.366 -13.540 347 HD3 LYS 63 HD3 LYS 63 12.183 25.084 -12.424 348 HE2 LYS 63 HE2 LYS 63 14.050 25.030 -11.062 349 HE3 LYS 63 HE3 LYS 63 13.257 23.508 -10.623 350 HZ1 LYS 63 HZ1 LYS 63 15.685 23.255 -11.070 351 HZ2 LYS 63 HZ2 LYS 63 14.841 22.351 -12.138 352 HZ3 LYS 63 HZ3 LYS 63 15.497 23.779 -12.596 353 H GLN 64 H GLN 64 7.747 23.375 -15.041 354 HA GLN 64 HA GLN 64 6.689 22.550 -16.770 355 HB2 GLN 64 HB2 GLN 64 6.269 24.129 -18.603 356 HB3 GLN 64 HB3 GLN 64 5.968 24.726 -16.979 357 HG2 GLN 64 HG2 GLN 64 8.686 25.216 -18.024 358 HG3 GLN 64 HG3 GLN 64 7.415 26.059 -18.910 359 HE21 GLN 64 HE22 GLN 64 9.620 26.598 -16.523 360 HE22 GLN 64 HE21 GLN 64 8.693 27.667 -15.488 361 H LEU 65 H LEU 65 8.196 20.729 -16.895 362 HA LEU 65 HA LEU 65 9.929 20.797 -19.253 363 HB2 LEU 65 HB2 LEU 65 9.560 18.445 -17.380 364 HB3 LEU 65 HB3 LEU 65 10.609 18.518 -18.741 365 HG LEU 65 HG LEU 65 12.089 18.785 -17.056 366 HD11 LEU 65 HD11 LEU 65 11.426 21.695 -17.619 367 HD12 LEU 65 HD12 LEU 65 12.967 21.028 -17.048 368 HD13 LEU 65 HD13 LEU 65 12.390 20.637 -18.678 369 HD21 LEU 65 HD21 LEU 65 11.782 20.175 -15.077 370 HD22 LEU 65 HD22 LEU 65 10.153 20.618 -15.654 371 HD23 LEU 65 HD23 LEU 65 10.540 18.928 -15.233 372 H TYR 66 H TYR 66 6.667 20.390 -18.941 373 HA TYR 66 HA TYR 66 6.416 17.975 -20.507 374 HB2 TYR 66 HB2 TYR 66 3.956 18.412 -20.266 375 HB3 TYR 66 HB3 TYR 66 4.863 18.203 -18.780 376 HD1 TYR 66 HD1 TYR 66 3.566 20.875 -21.078 377 HD2 TYR 66 HD2 TYR 66 4.781 19.804 -17.110 378 HE1 TYR 66 HE1 TYR 66 2.881 23.132 -20.302 379 HE2 TYR 66 HE2 TYR 66 4.100 22.092 -16.287 380 HH TYR 66 HH TYR 66 2.741 24.570 -18.501 381 H ASP 67 H ASP 67 4.825 17.827 -22.331 382 HA ASP 67 HA ASP 67 5.595 19.607 -24.506 383 HB2 ASP 67 HB2 ASP 67 5.042 17.102 -24.659 384 HB3 ASP 67 HB3 ASP 67 3.347 17.592 -24.552 385 H GLN 68 H GLN 68 4.497 21.148 -25.462 386 HA GLN 68 HA GLN 68 2.621 22.891 -24.453 387 HB2 GLN 68 HB2 GLN 68 2.546 22.198 -27.413 388 HB3 GLN 68 HB3 GLN 68 2.406 23.749 -26.625 389 HG2 GLN 68 HG2 GLN 68 4.390 23.675 -27.864 390 HG3 GLN 68 HG3 GLN 68 4.847 23.658 -26.140 391 HE21 GLN 68 HE22 GLN 68 4.220 21.373 -28.889 392 HE22 GLN 68 HE21 GLN 68 5.458 20.239 -28.376 393 H GLN 69 H GLN 69 2.047 20.123 -26.523 394 HA GLN 69 HA GLN 69 -0.872 20.445 -26.649 395 HB2 GLN 69 HB2 GLN 69 1.000 18.352 -27.809 396 HB3 GLN 69 HB3 GLN 69 -0.691 18.522 -28.209 397 HG2 GLN 69 HG2 GLN 69 -0.395 20.344 -29.554 398 HG3 GLN 69 HG3 GLN 69 0.907 21.022 -28.599 399 HE21 GLN 69 HE22 GLN 69 2.949 19.189 -28.571 400 HE22 GLN 69 HE21 GLN 69 3.465 18.982 -30.242 401 H GLU 70 H GLU 70 1.388 18.407 -24.898 402 HA GLU 70 HA GLU 70 -0.829 16.846 -23.632 403 HB2 GLU 70 HB2 GLU 70 1.675 15.746 -24.971 404 HB3 GLU 70 HB3 GLU 70 0.737 14.854 -23.773 405 HG2 GLU 70 HG2 GLU 70 -1.316 15.221 -25.240 406 HG3 GLU 70 HG3 GLU 70 -0.219 15.815 -26.491 407 H GLN 71 H GLN 71 -0.609 18.234 -21.835 408 HA GLN 71 HA GLN 71 1.729 18.871 -20.453 409 HB2 GLN 71 HB2 GLN 71 -1.208 18.635 -19.795 410 HB3 GLN 71 HB3 GLN 71 -0.060 18.972 -18.495 411 HG2 GLN 71 HG2 GLN 71 -0.847 21.059 -19.202 412 HG3 GLN 71 HG3 GLN 71 0.798 20.945 -19.810 413 HE21 GLN 71 HE22 GLN 71 1.009 20.455 -22.297 414 HE22 GLN 71 HE21 GLN 71 -0.279 21.155 -23.247 415 H HIS 72 H HIS 72 -0.029 15.819 -20.287 416 HA HIS 72 HA HIS 72 1.315 14.840 -17.901 417 HB2 HIS 72 HB2 HIS 72 0.291 12.642 -18.770 418 HB3 HIS 72 HB3 HIS 72 -0.825 13.931 -18.310 419 HD2 HIS 72 HD2 HIS 72 0.523 12.027 -21.337 420 HE1 HIS 72 HE1 HIS 72 -2.359 14.790 -22.874 421 HE2 HIS 72 HE2 HIS 72 -0.819 12.833 -23.493 422 H MET 73 H MET 73 2.262 15.053 -21.221 423 HA MET 73 HA MET 73 4.334 12.930 -21.001 424 HB2 MET 73 HB2 MET 73 3.101 14.471 -23.247 425 HB3 MET 73 HB3 MET 73 4.824 14.198 -23.385 426 HG2 MET 73 HG2 MET 73 2.747 12.033 -22.938 427 HG3 MET 73 HG3 MET 73 3.484 12.444 -24.483 428 HE1 MET 73 HE1 MET 73 6.689 12.883 -23.470 429 HE2 MET 73 HE2 MET 73 7.241 11.270 -23.956 430 HE3 MET 73 HE3 MET 73 6.117 12.166 -24.998 431 H VAL 74 H VAL 74 6.260 13.368 -20.257 432 HA VAL 74 HA VAL 74 7.043 16.209 -19.760 433 HB VAL 74 HB VAL 74 8.048 13.718 -18.350 434 HG11 VAL 74 HG11 VAL 74 9.466 15.722 -18.158 435 HG12 VAL 74 HG12 VAL 74 8.059 16.699 -17.692 436 HG13 VAL 74 HG13 VAL 74 8.659 15.411 -16.622 437 HG21 VAL 74 HG21 VAL 74 5.756 15.582 -17.559 438 HG22 VAL 74 HG22 VAL 74 5.629 13.845 -17.918 439 HG23 VAL 74 HG23 VAL 74 6.515 14.372 -16.497 440 H TYR 75 H TYR 75 9.028 16.957 -20.525 441 HA TYR 75 HA TYR 75 10.932 15.120 -21.908 442 HB2 TYR 75 HB2 TYR 75 9.834 17.799 -22.762 443 HB3 TYR 75 HB3 TYR 75 11.359 17.162 -23.366 444 HD1 TYR 75 HD2 TYR 75 11.401 14.743 -24.239 445 HD2 TYR 75 HD1 TYR 75 7.808 17.108 -23.887 446 HE1 TYR 75 HE2 TYR 75 10.264 13.242 -25.836 447 HE2 TYR 75 HE1 TYR 75 6.684 15.634 -25.552 448 HH TYR 75 HH TYR 75 6.895 13.824 -26.968 449 H CYS 76 H CYS 76 12.353 14.952 -20.184 450 HA CYS 76 HA CYS 76 13.386 17.355 -18.772 451 HB2 CYS 76 HB2 CYS 76 13.473 14.378 -18.149 452 HB3 CYS 76 HB3 CYS 76 14.311 15.615 -17.192 453 HG CYS 76 HG CYS 76 12.092 14.928 -15.956 454 H GLY 77 H GLY 77 14.355 16.088 -21.571 455 HA2 GLY 77 HA2 GLY 77 16.996 15.188 -21.303 456 HA3 GLY 77 HA3 GLY 77 16.386 16.074 -22.697 457 H GLY 78 H GLY 78 18.747 16.084 -20.416 458 HA2 GLY 78 HA2 GLY 78 20.475 17.610 -20.105 459 HA3 GLY 78 HA3 GLY 78 19.523 18.885 -20.856 460 H ASP 79 H ASP 79 17.494 17.608 -18.497 461 HA ASP 79 HA ASP 79 18.170 19.728 -16.548 462 HB2 ASP 79 HB2 ASP 79 15.786 19.096 -17.330 463 HB3 ASP 79 HB3 ASP 79 15.950 17.675 -16.315 464 H LEU 80 H LEU 80 18.266 19.203 -14.181 465 HA LEU 80 HA LEU 80 20.060 17.063 -13.470 466 HB2 LEU 80 HB2 LEU 80 19.150 19.322 -12.210 467 HB3 LEU 80 HB3 LEU 80 18.122 18.104 -11.449 468 HG LEU 80 HG LEU 80 21.182 18.093 -11.540 469 HD11 LEU 80 HD11 LEU 80 21.040 18.652 -9.147 470 HD12 LEU 80 HD12 LEU 80 20.260 19.892 -10.137 471 HD13 LEU 80 HD13 LEU 80 19.265 18.715 -9.254 472 HD21 LEU 80 HD21 LEU 80 19.316 16.279 -9.944 473 HD22 LEU 80 HD22 LEU 80 20.352 15.785 -11.301 474 HD23 LEU 80 HD23 LEU 80 21.080 16.346 -9.802 475 H LEU 81 H LEU 81 16.448 17.459 -13.058 476 HA LEU 81 HA LEU 81 15.911 14.909 -12.228 477 HB2 LEU 81 HB2 LEU 81 14.239 16.651 -12.335 478 HB3 LEU 81 HB3 LEU 81 14.357 16.752 -14.088 479 HG LEU 81 HG LEU 81 13.258 14.633 -14.393 480 HD11 LEU 81 HD11 LEU 81 12.319 13.359 -12.488 481 HD12 LEU 81 HD12 LEU 81 14.069 13.310 -12.503 482 HD13 LEU 81 HD13 LEU 81 13.250 14.392 -11.363 483 HD21 LEU 81 HD21 LEU 81 11.057 15.168 -13.462 484 HD22 LEU 81 HD22 LEU 81 11.797 16.256 -12.267 485 HD23 LEU 81 HD23 LEU 81 11.859 16.657 -13.996 486 H GLY 82 H GLY 82 16.619 15.882 -15.604 487 HA2 GLY 82 HA2 GLY 82 15.987 13.370 -16.893 488 HA3 GLY 82 HA3 GLY 82 17.048 14.646 -17.509 489 H GLU 83 H GLU 83 19.041 14.721 -15.536 490 HA GLU 83 HA GLU 83 20.672 12.461 -16.207 491 HB2 GLU 83 HB2 GLU 83 22.259 13.841 -15.615 492 HB3 GLU 83 HB3 GLU 83 21.059 15.021 -15.118 493 HG2 GLU 83 HG2 GLU 83 21.124 14.166 -12.816 494 HG3 GLU 83 HG3 GLU 83 22.267 12.910 -13.290 495 H LEU 84 H LEU 84 18.791 13.225 -13.280 496 HA LEU 84 HA LEU 84 19.417 10.960 -11.730 497 HB2 LEU 84 HB2 LEU 84 18.271 12.858 -10.790 498 HB3 LEU 84 HB3 LEU 84 17.005 12.777 -11.999 499 HG LEU 84 HG LEU 84 16.227 10.588 -11.018 500 HD11 LEU 84 HD11 LEU 84 18.362 9.990 -9.890 501 HD12 LEU 84 HD12 LEU 84 18.168 11.379 -8.803 502 HD13 LEU 84 HD13 LEU 84 17.000 10.025 -8.764 503 HD21 LEU 84 HD21 LEU 84 15.020 11.620 -9.248 504 HD22 LEU 84 HD22 LEU 84 16.245 12.914 -9.087 505 HD23 LEU 84 HD23 LEU 84 15.211 12.806 -10.528 506 H LEU 85 H LEU 85 16.780 11.410 -14.090 507 HA LEU 85 HA LEU 85 15.747 8.715 -13.902 508 HB2 LEU 85 HB2 LEU 85 15.193 11.181 -15.400 509 HB3 LEU 85 HB3 LEU 85 15.113 9.819 -16.470 510 HG LEU 85 HG LEU 85 13.659 9.715 -13.818 511 HD11 LEU 85 HD11 LEU 85 11.665 10.596 -14.978 512 HD12 LEU 85 HD12 LEU 85 12.957 11.803 -14.869 513 HD13 LEU 85 HD13 LEU 85 12.673 10.954 -16.405 514 HD21 LEU 85 HD21 LEU 85 12.158 8.229 -15.038 515 HD22 LEU 85 HD22 LEU 85 13.087 8.466 -16.530 516 HD23 LEU 85 HD23 LEU 85 13.827 7.632 -15.140 517 H GLY 86 H GLY 86 18.330 10.130 -15.860 518 HA2 GLY 86 HA2 GLY 86 19.827 9.183 -17.355 519 HA3 GLY 86 HA3 GLY 86 19.263 7.560 -16.907 520 H ARG 87 H ARG 87 17.088 10.114 -17.898 521 HA ARG 87 HA ARG 87 16.468 8.968 -20.556 522 HB2 ARG 87 HB2 ARG 87 15.241 7.912 -18.303 523 HB3 ARG 87 HB3 ARG 87 14.127 9.221 -18.687 524 HG2 ARG 87 HG2 ARG 87 13.850 8.274 -20.985 525 HG3 ARG 87 HG3 ARG 87 15.011 6.994 -20.565 526 HD2 ARG 87 HD2 ARG 87 13.492 6.444 -18.579 527 HD3 ARG 87 HD3 ARG 87 12.277 7.489 -19.291 528 HE ARG 87 HE ARG 87 13.179 4.831 -20.202 529 HH11 ARG 87 HH11 ARG 87 11.303 7.632 -21.251 530 HH12 ARG 87 HH12 ARG 87 10.592 6.733 -22.565 531 HH21 ARG 87 HH21 ARG 87 12.182 3.776 -21.853 532 HH22 ARG 87 HH22 ARG 87 11.045 4.611 -22.868 533 H GLN 88 H GLN 88 15.589 10.492 -21.898 534 HA GLN 88 HA GLN 88 15.225 13.239 -20.857 535 HB2 GLN 88 HB2 GLN 88 15.051 13.891 -23.144 536 HB3 GLN 88 HB3 GLN 88 16.481 12.870 -22.911 537 HG2 GLN 88 HG2 GLN 88 15.296 10.967 -23.964 538 HG3 GLN 88 HG3 GLN 88 13.842 11.958 -24.149 539 HE21 GLN 88 HE22 GLN 88 14.016 13.927 -25.598 540 HE22 GLN 88 HE21 GLN 88 15.171 13.844 -26.920 541 H SER 89 H SER 89 13.084 10.619 -21.537 542 HA SER 89 HA SER 89 10.823 12.438 -20.954 543 HB2 SER 89 HB2 SER 89 9.526 11.707 -22.921 544 HB3 SER 89 HB3 SER 89 11.038 12.492 -23.401 545 HG SER 89 HG SER 89 10.661 10.528 -24.575 546 H PHE 90 H PHE 90 8.853 11.582 -20.465 547 HA PHE 90 HA PHE 90 8.197 8.802 -20.217 548 HB2 PHE 90 HB2 PHE 90 8.080 8.653 -17.780 549 HB3 PHE 90 HB3 PHE 90 9.730 8.905 -18.286 550 HD1 PHE 90 HD2 PHE 90 10.809 11.184 -18.022 551 HD2 PHE 90 HD1 PHE 90 6.955 10.235 -16.327 552 HE1 PHE 90 HE2 PHE 90 10.989 13.134 -16.533 553 HE2 PHE 90 HE1 PHE 90 7.158 12.175 -14.805 554 HZ PHE 90 HZ PHE 90 9.205 13.596 -14.849 555 H SER 91 H SER 91 6.036 8.720 -18.783 556 HA SER 91 HA SER 91 4.483 11.259 -19.013 557 HB2 SER 91 HB2 SER 91 3.888 9.948 -20.968 558 HB3 SER 91 HB3 SER 91 3.604 8.515 -19.972 559 HG SER 91 HG SER 91 1.692 9.788 -20.578 560 H VAL 92 H VAL 92 2.827 11.540 -17.424 561 HA VAL 92 HA VAL 92 2.998 10.085 -14.984 562 HB VAL 92 HB VAL 92 1.332 11.395 -14.215 563 HG11 VAL 92 HG11 VAL 92 2.082 13.141 -16.551 564 HG12 VAL 92 HG12 VAL 92 1.591 13.644 -14.931 565 HG13 VAL 92 HG13 VAL 92 3.153 12.835 -15.159 566 HG21 VAL 92 HG21 VAL 92 0.082 11.531 -16.956 567 HG22 VAL 92 HG22 VAL 92 -0.588 10.782 -15.494 568 HG23 VAL 92 HG23 VAL 92 -0.447 12.534 -15.595 569 H LYS 93 H LYS 93 1.409 9.355 -17.960 570 HA LYS 93 HA LYS 93 -0.378 7.260 -16.854 571 HB2 LYS 93 HB2 LYS 93 0.093 8.234 -19.702 572 HB3 LYS 93 HB3 LYS 93 -1.141 7.075 -19.206 573 HG2 LYS 93 HG2 LYS 93 -2.292 8.750 -17.864 574 HG3 LYS 93 HG3 LYS 93 -1.012 9.935 -18.156 575 HD2 LYS 93 HD2 LYS 93 -1.505 9.911 -20.579 576 HD3 LYS 93 HD3 LYS 93 -2.851 8.785 -20.285 577 HE2 LYS 93 HE2 LYS 93 -3.956 10.430 -18.831 578 HE3 LYS 93 HE3 LYS 93 -2.578 11.528 -18.960 579 HZ1 LYS 93 HZ1 LYS 93 -4.324 10.734 -21.236 580 HZ2 LYS 93 HZ2 LYS 93 -4.372 12.174 -20.469 581 HZ3 LYS 93 HZ3 LYS 93 -3.054 11.766 -21.339 582 H ASP 94 H ASP 94 2.846 7.418 -17.753 583 HA ASP 94 HA ASP 94 3.096 4.493 -17.785 584 HB2 ASP 94 HB2 ASP 94 2.881 5.085 -20.179 585 HB3 ASP 94 HB3 ASP 94 4.224 6.216 -20.028 586 HA PRO 95 HA PRO 95 6.175 7.095 -15.458 587 HB2 PRO 95 HB2 PRO 95 5.499 6.718 -12.891 588 HB3 PRO 95 HB3 PRO 95 4.435 7.639 -13.998 589 HG2 PRO 95 HG2 PRO 95 4.223 4.676 -13.295 590 HG3 PRO 95 HG3 PRO 95 2.949 5.925 -13.138 591 HD2 PRO 95 HD2 PRO 95 3.154 4.351 -15.362 592 HD3 PRO 95 HD3 PRO 95 2.641 6.062 -15.445 593 H SER 96 H SER 96 5.983 3.771 -15.822 594 HA SER 96 HA SER 96 7.391 2.465 -13.967 595 HB2 SER 96 HB2 SER 96 7.901 2.209 -16.948 596 HB3 SER 96 HB3 SER 96 8.286 0.991 -15.714 597 HG SER 96 HG SER 96 6.234 0.618 -16.728 598 HA PRO 97 HA PRO 97 11.834 3.674 -15.158 599 HB2 PRO 97 HB2 PRO 97 12.444 5.941 -16.538 600 HB3 PRO 97 HB3 PRO 97 12.056 4.385 -17.327 601 HG2 PRO 97 HG2 PRO 97 10.167 6.706 -16.793 602 HG3 PRO 97 HG3 PRO 97 10.443 5.844 -18.343 603 HD2 PRO 97 HD2 PRO 97 8.385 5.194 -16.757 604 HD3 PRO 97 HD3 PRO 97 9.314 3.913 -17.581 605 H LEU 98 H LEU 98 9.500 6.138 -14.195 606 HA LEU 98 HA LEU 98 11.262 7.717 -12.502 607 HB2 LEU 98 HB2 LEU 98 8.914 8.345 -13.391 608 HB3 LEU 98 HB3 LEU 98 8.264 7.185 -12.244 609 HG LEU 98 HG LEU 98 9.545 8.550 -10.424 610 HD11 LEU 98 HD11 LEU 98 9.214 10.611 -12.647 611 HD12 LEU 98 HD12 LEU 98 9.778 10.914 -10.988 612 HD13 LEU 98 HD13 LEU 98 10.772 9.960 -12.112 613 HD21 LEU 98 HD21 LEU 98 7.067 9.588 -11.849 614 HD22 LEU 98 HD22 LEU 98 7.122 8.387 -10.542 615 HD23 LEU 98 HD23 LEU 98 7.594 10.065 -10.216 616 H TYR 99 H TYR 99 8.964 5.017 -11.959 617 HA TYR 99 HA TYR 99 9.633 4.641 -9.196 618 HB2 TYR 99 HB2 TYR 99 8.296 2.907 -11.307 619 HB3 TYR 99 HB3 TYR 99 8.615 2.305 -9.695 620 HD1 TYR 99 HD1 TYR 99 6.856 5.150 -11.472 621 HD2 TYR 99 HD2 TYR 99 7.132 2.686 -7.930 622 HE1 TYR 99 HE1 TYR 99 4.677 6.041 -10.673 623 HE2 TYR 99 HE2 TYR 99 4.959 3.601 -7.132 624 HH TYR 99 HH TYR 99 3.024 5.913 -9.061 625 H ASP 100 H ASP 100 10.995 3.215 -12.195 626 HA ASP 100 HA ASP 100 12.855 1.494 -10.953 627 HB2 ASP 100 HB2 ASP 100 12.304 1.786 -13.436 628 HB3 ASP 100 HB3 ASP 100 13.460 3.098 -13.419 629 H MET 101 H MET 101 13.268 4.972 -11.799 630 HA MET 101 HA MET 101 15.873 5.037 -10.589 631 HB2 MET 101 HB2 MET 101 16.149 7.245 -10.987 632 HB3 MET 101 HB3 MET 101 15.263 6.587 -12.355 633 HG2 MET 101 HG2 MET 101 14.409 8.708 -11.886 634 HG3 MET 101 HG3 MET 101 13.189 7.533 -11.397 635 HE1 MET 101 HE1 MET 101 12.505 10.324 -10.565 636 HE2 MET 101 HE2 MET 101 11.686 8.877 -9.912 637 HE3 MET 101 HE3 MET 101 12.216 10.170 -8.818 638 H LEU 102 H LEU 102 12.727 5.322 -9.031 639 HA LEU 102 HA LEU 102 13.787 6.503 -6.596 640 HB2 LEU 102 HB2 LEU 102 11.173 5.091 -7.306 641 HB3 LEU 102 HB3 LEU 102 11.500 5.787 -5.728 642 HG LEU 102 HG LEU 102 11.581 7.445 -8.265 643 HD11 LEU 102 HD11 LEU 102 9.202 7.103 -6.409 644 HD12 LEU 102 HD12 LEU 102 9.312 8.210 -7.789 645 HD13 LEU 102 HD13 LEU 102 9.316 6.466 -8.060 646 HD21 LEU 102 HD21 LEU 102 11.023 8.305 -5.411 647 HD22 LEU 102 HD22 LEU 102 12.613 8.426 -6.195 648 HD23 LEU 102 HD23 LEU 102 11.239 9.351 -6.821 649 H ARG 103 H ARG 103 12.944 3.195 -7.822 650 HA ARG 103 HA ARG 103 13.130 2.008 -5.321 651 HB2 ARG 103 HB2 ARG 103 12.734 -0.000 -6.296 652 HB3 ARG 103 HB3 ARG 103 11.994 1.218 -7.352 653 HG2 ARG 103 HG2 ARG 103 13.840 0.962 -8.944 654 HG3 ARG 103 HG3 ARG 103 14.607 -0.263 -7.913 655 HD2 ARG 103 HD2 ARG 103 12.708 -1.717 -8.133 656 HD3 ARG 103 HD3 ARG 103 11.756 -0.461 -8.940 657 HE ARG 103 HE ARG 103 13.696 -0.606 -10.744 658 HH11 ARG 103 HH11 ARG 103 12.230 -3.422 -9.214 659 HH12 ARG 103 HH12 ARG 103 12.514 -4.397 -10.630 660 HH21 ARG 103 HH21 ARG 103 13.941 -1.782 -12.401 661 HH22 ARG 103 HH22 ARG 103 13.502 -3.493 -12.440 662 H LYS 104 H LYS 104 15.779 2.381 -7.577 663 HA LYS 104 HA LYS 104 17.684 1.227 -5.644 664 HB2 LYS 104 HB2 LYS 104 19.338 1.902 -7.505 665 HB3 LYS 104 HB3 LYS 104 18.373 0.450 -7.608 666 HG2 LYS 104 HG2 LYS 104 18.618 1.632 -9.745 667 HG3 LYS 104 HG3 LYS 104 16.951 1.390 -9.246 668 HD2 LYS 104 HD2 LYS 104 17.253 3.507 -10.301 669 HD3 LYS 104 HD3 LYS 104 16.688 3.661 -8.632 670 HE2 LYS 104 HE2 LYS 104 18.092 5.490 -9.278 671 HE3 LYS 104 HE3 LYS 104 18.777 4.596 -7.915 672 HZ1 LYS 104 HZ1 LYS 104 20.489 5.110 -9.620 673 HZ2 LYS 104 HZ2 LYS 104 20.324 3.495 -9.508 674 HZ3 LYS 104 HZ3 LYS 104 19.664 4.301 -10.767 675 H ASN 105 H ASN 105 16.390 4.341 -6.010 676 HA ASN 105 HA ASN 105 18.890 5.670 -4.995 677 HB2 ASN 105 HB2 ASN 105 17.450 6.728 -6.774 678 HB3 ASN 105 HB3 ASN 105 16.276 7.032 -5.475 679 HD21 ASN 105 HD22 ASN 105 19.581 7.584 -6.652 680 HD22 ASN 105 HD21 ASN 105 20.017 8.729 -5.410 681 H LEU 106 H LEU 106 15.480 5.097 -4.117 682 HA LEU 106 HA LEU 106 16.341 5.078 -1.243 683 HB2 LEU 106 HB2 LEU 106 14.420 6.128 -0.460 684 HB3 LEU 106 HB3 LEU 106 15.177 7.179 -1.637 685 HG LEU 106 HG LEU 106 12.816 5.451 -2.483 686 HD11 LEU 106 HD11 LEU 106 12.093 6.577 -0.420 687 HD12 LEU 106 HD12 LEU 106 12.660 8.139 -1.054 688 HD13 LEU 106 HD13 LEU 106 11.308 7.282 -1.835 689 HD21 LEU 106 HD21 LEU 106 14.071 6.774 -4.202 690 HD22 LEU 106 HD22 LEU 106 12.393 7.277 -3.990 691 HD23 LEU 106 HD23 LEU 106 13.702 8.254 -3.296 692 H VAL 107 H VAL 107 15.543 3.662 0.144 693 HA VAL 107 HA VAL 107 13.615 1.598 -0.836 694 HB VAL 107 HB VAL 107 16.031 1.084 0.947 695 HG11 VAL 107 HG11 VAL 107 13.928 -0.815 -0.200 696 HG12 VAL 107 HG12 VAL 107 15.378 -1.295 0.707 697 HG13 VAL 107 HG13 VAL 107 14.109 -0.372 1.513 698 HG21 VAL 107 HG21 VAL 107 15.485 0.251 -1.937 699 HG22 VAL 107 HG22 VAL 107 16.751 1.369 -1.384 700 HG23 VAL 107 HG23 VAL 107 16.829 -0.334 -0.931 701 H THR 108 H THR 108 11.800 1.835 0.260 702 HA THR 108 HA THR 108 11.761 3.279 2.853 703 HB THR 108 HB THR 108 10.439 4.106 1.005 704 HG1 THR 108 HG1 THR 108 8.510 4.312 2.256 705 HG21 THR 108 HG21 THR 108 9.668 2.028 -0.079 706 HG22 THR 108 HG22 THR 108 8.721 1.613 1.370 707 HG23 THR 108 HG23 THR 108 8.301 3.037 0.401 708 H LEU 109 H LEU 109 9.525 2.474 4.045 709 HA LEU 109 HA LEU 109 10.495 0.293 5.624 710 HB2 LEU 109 HB2 LEU 109 8.019 2.018 5.591 711 HB3 LEU 109 HB3 LEU 109 7.989 0.567 6.559 712 HG LEU 109 HG LEU 109 8.566 2.566 7.850 713 HD11 LEU 109 HD11 LEU 109 9.281 0.314 8.593 714 HD12 LEU 109 HD12 LEU 109 10.847 0.548 7.786 715 HD13 LEU 109 HD13 LEU 109 10.375 1.595 9.137 716 HD21 LEU 109 HD21 LEU 109 10.747 3.614 7.730 717 HD22 LEU 109 HD22 LEU 109 11.231 2.577 6.375 718 HD23 LEU 109 HD23 LEU 109 9.935 3.779 6.167 719 H ALA 110 H ALA 110 8.306 0.234 2.892 720 HA ALA 110 HA ALA 110 7.009 -2.259 3.482 721 HB1 ALA 110 HB1 ALA 110 6.297 -2.151 1.127 722 HB2 ALA 110 HB2 ALA 110 6.089 -0.583 1.932 723 HB3 ALA 110 HB3 ALA 110 7.457 -0.840 0.822 724 H THR 111 H THR 111 7.493 -4.333 3.023 725 HA THR 111 HA THR 111 9.952 -5.073 1.533 726 HB THR 111 HB THR 111 10.539 -4.629 3.895 727 HG1 THR 111 HG1 THR 111 11.791 -6.097 2.821 728 HG21 THR 111 HG21 THR 111 8.822 -7.045 4.597 729 HG22 THR 111 HG22 THR 111 9.927 -6.167 5.672 730 HG23 THR 111 HG23 THR 111 8.482 -5.358 5.051 731 HD1 48M 200 HD1 48M 200 2.694 14.756 -12.968 732 HD2 48M 200 HD2 48M 200 3.335 13.344 -8.940 733 HD3 48M 200 HD3 48M 200 -0.459 11.791 -8.548 734 HD4 48M 200 HD4 48M 200 1.953 11.893 -12.098 735 HD5 48M 200 HD5 48M 200 -2.011 13.822 -13.671 736 HE1 48M 200 HE1 48M 200 4.916 13.899 -13.609 737 HE2 48M 200 HE2 48M 200 5.530 12.460 -9.616 738 HE3 48M 200 HE3 48M 200 0.070 9.391 -8.252 739 HE5 48M 200 HE5 48M 200 -2.869 14.482 -15.858 740 HE6 48M 200 HE6 48M 200 0.158 17.494 -16.176 741 HZ2 48M 200 HZ2 48M 200 1.545 8.239 -9.884 742 HM21 48M 200 HM21 48M 200 2.434 15.909 -16.150 743 HM22 48M 200 HM22 48M 200 3.868 16.939 -16.178 744 HM23 48M 200 HM23 48M 200 3.652 15.761 -14.877 745 HM31 48M 200 HM31 48M 200 4.113 18.795 -14.284 746 HM32 48M 200 HM32 48M 200 2.811 18.934 -13.097 747 HM33 48M 200 HM33 48M 200 3.854 17.506 -13.088 748 HN1 48M 200 HN1 48M 200 -2.818 20.389 -10.512 749 H21 48M 200 H21 48M 200 -2.288 17.980 -9.590 750 H22 48M 200 H22 48M 200 -3.424 18.120 -10.945 751 H31 48M 200 H31 48M 200 -1.642 16.403 -11.219 752 H32 48M 200 H32 48M 200 -1.705 17.577 -12.552 753 H41 48M 200 H41 48M 200 0.610 19.518 -12.345 754 H42 48M 200 H42 48M 200 1.036 19.510 -10.621 755 H7 48M 200 H7 48M 200 -0.373 13.750 -9.707 756 H8 48M 200 H8 48M 200 1.502 14.979 -9.470 757 H9 48M 200 H9 48M 200 1.941 18.289 -15.350 Start of MODEL 7 1 H1 GLN 23 H GLN 23 5.516 14.350 13.411 2 HA GLN 23 HA GLN 23 8.284 14.511 12.506 3 HB2 GLN 23 HB2 GLN 23 7.522 12.491 14.657 4 HB3 GLN 23 HB3 GLN 23 9.027 12.474 13.725 5 HG2 GLN 23 HG2 GLN 23 9.655 14.679 14.657 6 HG3 GLN 23 HG3 GLN 23 8.155 14.729 15.585 7 HE21 GLN 23 HE22 GLN 23 10.041 15.064 17.277 8 HE22 GLN 23 HE21 GLN 23 10.552 13.580 18.073 9 H ILE 24 H ILE 24 8.739 13.083 10.842 10 HA ILE 24 HA ILE 24 6.374 11.847 9.641 11 HB ILE 24 HB ILE 24 9.078 12.750 8.689 12 HG12 ILE 24 HG12 ILE 24 6.267 13.133 7.582 13 HG13 ILE 24 HG13 ILE 24 7.005 14.189 8.789 14 HG21 ILE 24 HG21 ILE 24 8.613 11.737 6.422 15 HG22 ILE 24 HG22 ILE 24 9.085 10.600 7.668 16 HG23 ILE 24 HG23 ILE 24 7.375 10.730 7.180 17 HD11 ILE 24 HD11 ILE 24 7.227 15.262 6.668 18 HD12 ILE 24 HD12 ILE 24 8.844 14.709 7.145 19 HD13 ILE 24 HD13 ILE 24 7.911 13.819 5.913 20 H ASN 25 H ASN 25 9.501 10.623 10.715 21 HA ASN 25 HA ASN 25 10.215 8.571 11.202 22 HB2 ASN 25 HB2 ASN 25 7.277 7.981 11.474 23 HB3 ASN 25 HB3 ASN 25 8.483 6.724 11.608 24 HD21 ASN 25 HD22 ASN 25 8.701 10.066 12.604 25 HD22 ASN 25 HD21 ASN 25 8.915 9.763 14.342 26 H GLN 26 H GLN 26 10.546 9.227 8.687 27 HA GLN 26 HA GLN 26 10.404 6.730 7.146 28 HB2 GLN 26 HB2 GLN 26 8.443 8.435 6.599 29 HB3 GLN 26 HB3 GLN 26 9.683 9.056 5.504 30 HG2 GLN 26 HG2 GLN 26 8.441 7.318 4.367 31 HG3 GLN 26 HG3 GLN 26 10.007 6.657 4.664 32 HE21 GLN 26 HE22 GLN 26 10.002 4.538 5.485 33 HE22 GLN 26 HE21 GLN 26 8.663 3.877 6.400 34 H VAL 27 H VAL 27 11.619 7.397 4.825 35 HA VAL 27 HA VAL 27 14.354 7.958 5.826 36 HB VAL 27 HB VAL 27 13.372 6.161 3.555 37 HG11 VAL 27 HG11 VAL 27 15.630 5.097 3.661 38 HG12 VAL 27 HG12 VAL 27 15.676 6.735 3.054 39 HG13 VAL 27 HG13 VAL 27 16.177 6.398 4.737 40 HG21 VAL 27 HG21 VAL 27 14.387 5.438 6.343 41 HG22 VAL 27 HG22 VAL 27 12.722 5.238 5.754 42 HG23 VAL 27 HG23 VAL 27 14.012 4.278 5.050 43 H ARG 28 H ARG 28 16.001 8.766 4.553 44 HA ARG 28 HA ARG 28 15.175 10.935 2.762 45 HB2 ARG 28 HB2 ARG 28 17.406 11.755 2.973 46 HB3 ARG 28 HB3 ARG 28 16.760 11.385 4.569 47 HG2 ARG 28 HG2 ARG 28 18.135 9.356 4.711 48 HG3 ARG 28 HG3 ARG 28 18.706 9.586 3.053 49 HD2 ARG 28 HD2 ARG 28 20.409 10.312 4.580 50 HD3 ARG 28 HD3 ARG 28 19.804 11.674 3.646 51 HE ARG 28 HE ARG 28 19.188 11.069 6.530 52 HH11 ARG 28 HH11 ARG 28 19.365 13.544 3.997 53 HH12 ARG 28 HH12 ARG 28 18.975 14.795 5.185 54 HH21 ARG 28 HH21 ARG 28 18.731 12.843 7.875 55 HH22 ARG 28 HH22 ARG 28 18.662 14.440 7.121 56 HA PRO 29 HA PRO 29 16.759 8.713 -0.892 57 HB2 PRO 29 HB2 PRO 29 16.349 10.577 -2.778 58 HB3 PRO 29 HB3 PRO 29 14.978 9.757 -1.984 59 HG2 PRO 29 HG2 PRO 29 16.105 12.496 -1.365 60 HG3 PRO 29 HG3 PRO 29 14.392 12.009 -1.559 61 HD2 PRO 29 HD2 PRO 29 15.677 12.219 0.894 62 HD3 PRO 29 HD3 PRO 29 14.292 11.124 0.583 63 H LYS 30 H LYS 30 18.547 9.225 -2.559 64 HA LYS 30 HA LYS 30 20.879 10.214 -1.097 65 HB2 LYS 30 HB2 LYS 30 20.445 8.364 -3.108 66 HB3 LYS 30 HB3 LYS 30 21.209 9.653 -4.004 67 HG2 LYS 30 HG2 LYS 30 22.316 8.272 -1.513 68 HG3 LYS 30 HG3 LYS 30 22.708 7.849 -3.178 69 HD2 LYS 30 HD2 LYS 30 23.591 10.227 -3.474 70 HD3 LYS 30 HD3 LYS 30 23.488 10.396 -1.709 71 HE2 LYS 30 HE2 LYS 30 25.077 8.264 -3.211 72 HE3 LYS 30 HE3 LYS 30 25.752 9.764 -2.578 73 HZ1 LYS 30 HZ1 LYS 30 25.136 9.025 -0.324 74 HZ2 LYS 30 HZ2 LYS 30 24.539 7.614 -0.908 75 HZ3 LYS 30 HZ3 LYS 30 26.126 7.946 -1.034 76 H LEU 31 H LEU 31 22.359 11.835 -1.977 77 HA LEU 31 HA LEU 31 21.188 14.299 -1.905 78 HB2 LEU 31 HB2 LEU 31 23.475 13.769 -1.274 79 HB3 LEU 31 HB3 LEU 31 23.931 13.507 -2.951 80 HG LEU 31 HG LEU 31 23.504 15.888 -3.443 81 HD11 LEU 31 HD11 LEU 31 21.841 16.492 -1.748 82 HD12 LEU 31 HD12 LEU 31 22.983 16.094 -0.442 83 HD13 LEU 31 HD13 LEU 31 23.284 17.483 -1.501 84 HD21 LEU 31 HD21 LEU 31 25.756 15.113 -2.798 85 HD22 LEU 31 HD22 LEU 31 25.468 16.769 -2.244 86 HD23 LEU 31 HD23 LEU 31 25.379 15.421 -1.088 87 HA PRO 32 HA PRO 32 21.352 15.131 -6.613 88 HB2 PRO 32 HB2 PRO 32 21.054 12.666 -8.114 89 HB3 PRO 32 HB3 PRO 32 22.362 13.870 -8.236 90 HG2 PRO 32 HG2 PRO 32 22.513 11.249 -7.123 91 HG3 PRO 32 HG3 PRO 32 23.759 12.534 -7.019 92 HD2 PRO 32 HD2 PRO 32 21.878 11.568 -4.983 93 HD3 PRO 32 HD3 PRO 32 23.368 12.528 -4.789 94 H LEU 33 H LEU 33 19.518 12.537 -5.323 95 HA LEU 33 HA LEU 33 17.138 13.168 -6.897 96 HB2 LEU 33 HB2 LEU 33 18.025 10.902 -6.026 97 HB3 LEU 33 HB3 LEU 33 17.495 11.414 -4.437 98 HG LEU 33 HG LEU 33 15.883 9.973 -5.373 99 HD11 LEU 33 HD11 LEU 33 14.935 12.023 -4.204 100 HD12 LEU 33 HD12 LEU 33 14.578 12.648 -5.836 101 HD13 LEU 33 HD13 LEU 33 13.849 11.138 -5.285 102 HD21 LEU 33 HD21 LEU 33 15.698 11.766 -7.814 103 HD22 LEU 33 HD22 LEU 33 16.432 10.138 -7.726 104 HD23 LEU 33 HD23 LEU 33 14.697 10.355 -7.454 105 H LEU 34 H LEU 34 18.186 13.550 -3.469 106 HA LEU 34 HA LEU 34 15.949 15.037 -2.559 107 HB2 LEU 34 HB2 LEU 34 17.825 14.026 -1.185 108 HB3 LEU 34 HB3 LEU 34 18.898 15.291 -1.766 109 HG LEU 34 HG LEU 34 17.540 17.007 -0.614 110 HD11 LEU 34 HD11 LEU 34 15.304 16.001 -0.649 111 HD12 LEU 34 HD12 LEU 34 15.871 14.636 0.351 112 HD13 LEU 34 HD13 LEU 34 15.796 16.281 1.017 113 HD21 LEU 34 HD21 LEU 34 18.109 16.358 1.685 114 HD22 LEU 34 HD22 LEU 34 18.275 14.658 1.185 115 HD23 LEU 34 HD23 LEU 34 19.403 15.889 0.572 116 H LYS 35 H LYS 35 18.854 16.219 -4.370 117 HA LYS 35 HA LYS 35 18.223 18.932 -4.368 118 HB2 LYS 35 HB2 LYS 35 20.207 17.382 -5.483 119 HB3 LYS 35 HB3 LYS 35 19.254 17.707 -6.923 120 HG2 LYS 35 HG2 LYS 35 20.879 19.457 -6.792 121 HG3 LYS 35 HG3 LYS 35 19.352 20.178 -6.285 122 HD2 LYS 35 HD2 LYS 35 20.861 20.965 -4.677 123 HD3 LYS 35 HD3 LYS 35 20.120 19.579 -3.841 124 HE2 LYS 35 HE2 LYS 35 22.008 18.186 -4.201 125 HE3 LYS 35 HE3 LYS 35 22.710 19.301 -5.389 126 HZ1 LYS 35 HZ1 LYS 35 22.403 19.912 -2.487 127 HZ2 LYS 35 HZ2 LYS 35 23.813 19.541 -3.234 128 HZ3 LYS 35 HZ3 LYS 35 23.040 20.922 -3.599 129 H ILE 36 H ILE 36 16.701 16.455 -6.446 130 HA ILE 36 HA ILE 36 15.239 18.271 -8.152 131 HB ILE 36 HB ILE 36 14.425 15.512 -7.190 132 HG12 ILE 36 HG12 ILE 36 16.545 15.306 -8.163 133 HG13 ILE 36 HG13 ILE 36 15.371 14.756 -9.355 134 HG21 ILE 36 HG21 ILE 36 13.046 15.438 -9.188 135 HG22 ILE 36 HG22 ILE 36 12.536 16.739 -8.127 136 HG23 ILE 36 HG23 ILE 36 13.473 17.121 -9.588 137 HD11 ILE 36 HD11 ILE 36 15.660 17.028 -10.488 138 HD12 ILE 36 HD12 ILE 36 16.977 17.331 -9.328 139 HD13 ILE 36 HD13 ILE 36 17.103 15.985 -10.468 140 H LEU 37 H LEU 37 14.431 16.617 -5.081 141 HA LEU 37 HA LEU 37 11.776 17.590 -4.739 142 HB2 LEU 37 HB2 LEU 37 13.900 16.381 -2.912 143 HB3 LEU 37 HB3 LEU 37 12.336 16.836 -2.293 144 HG LEU 37 HG LEU 37 11.212 15.239 -3.475 145 HD11 LEU 37 HD11 LEU 37 13.586 14.548 -5.167 146 HD12 LEU 37 HD12 LEU 37 12.049 13.668 -5.126 147 HD13 LEU 37 HD13 LEU 37 12.086 15.328 -5.722 148 HD21 LEU 37 HD21 LEU 37 12.286 13.130 -2.826 149 HD22 LEU 37 HD22 LEU 37 13.838 13.980 -2.677 150 HD23 LEU 37 HD23 LEU 37 12.490 14.376 -1.581 151 H HIS 38 H HIS 38 14.888 18.748 -3.411 152 HA HIS 38 HA HIS 38 13.733 21.029 -2.033 153 HB2 HIS 38 HB2 HIS 38 16.514 20.120 -2.840 154 HB3 HIS 38 HB3 HIS 38 16.252 21.695 -2.073 155 HD2 HIS 38 HD2 HIS 38 13.836 19.306 -0.578 156 HE1 HIS 38 HE1 HIS 38 17.151 19.269 2.090 157 HE2 HIS 38 HE2 HIS 38 14.688 18.620 1.799 158 H ALA 39 H ALA 39 15.218 20.681 -5.300 159 HA ALA 39 HA ALA 39 15.090 23.408 -6.064 160 HB1 ALA 39 HB1 ALA 39 15.085 22.424 -8.382 161 HB2 ALA 39 HB2 ALA 39 16.352 21.763 -7.336 162 HB3 ALA 39 HB3 ALA 39 14.894 20.810 -7.659 163 H ALA 40 H ALA 40 12.594 20.905 -5.889 164 HA ALA 40 HA ALA 40 10.574 22.595 -7.087 165 HB1 ALA 40 HB1 ALA 40 10.808 19.956 -6.924 166 HB2 ALA 40 HB2 ALA 40 9.913 20.179 -5.420 167 HB3 ALA 40 HB3 ALA 40 9.229 20.754 -6.964 168 H GLY 41 H GLY 41 11.798 22.197 -3.806 169 HA2 GLY 41 HA2 GLY 41 11.231 23.525 -1.949 170 HA3 GLY 41 HA3 GLY 41 9.690 23.962 -2.678 171 H ALA 42 H ALA 42 11.280 20.811 -1.828 172 HA ALA 42 HA ALA 42 8.879 19.604 -0.829 173 HB1 ALA 42 HB1 ALA 42 10.764 18.343 -1.727 174 HB2 ALA 42 HB2 ALA 42 11.747 18.797 -0.298 175 HB3 ALA 42 HB3 ALA 42 10.301 17.797 -0.120 176 H GLN 43 H GLN 43 8.535 18.728 1.314 177 HA GLN 43 HA GLN 43 8.737 20.916 3.274 178 HB2 GLN 43 HB2 GLN 43 6.570 19.823 2.354 179 HB3 GLN 43 HB3 GLN 43 6.927 18.496 3.466 180 HG2 GLN 43 HG2 GLN 43 6.868 20.149 5.367 181 HG3 GLN 43 HG3 GLN 43 6.575 21.446 4.212 182 HE21 GLN 43 HE22 GLN 43 4.727 21.499 6.041 183 HE22 GLN 43 HE21 GLN 43 3.246 20.692 5.538 184 H GLY 44 H GLY 44 11.032 19.182 2.893 185 HA2 GLY 44 HA2 GLY 44 12.142 18.802 5.358 186 HA3 GLY 44 HA3 GLY 44 11.161 17.350 5.180 187 H GLU 45 H GLU 45 13.070 16.199 5.360 188 HA GLU 45 HA GLU 45 14.394 15.639 2.768 189 HB2 GLU 45 HB2 GLU 45 16.598 15.568 3.723 190 HB3 GLU 45 HB3 GLU 45 15.871 17.160 3.942 191 HG2 GLU 45 HG2 GLU 45 15.201 16.439 6.284 192 HG3 GLU 45 HG3 GLU 45 16.119 14.959 6.001 193 H MET 46 H MET 46 12.421 14.391 4.869 194 HA MET 46 HA MET 46 13.310 11.525 4.657 195 HB2 MET 46 HB2 MET 46 12.535 13.096 7.136 196 HB3 MET 46 HB3 MET 46 12.181 11.372 7.007 197 HG2 MET 46 HG2 MET 46 14.456 10.798 6.688 198 HG3 MET 46 HG3 MET 46 14.960 12.487 6.538 199 HE1 MET 46 HE1 MET 46 15.369 14.126 8.467 200 HE2 MET 46 HE2 MET 46 13.649 14.064 8.920 201 HE3 MET 46 HE3 MET 46 14.902 13.844 10.158 202 H PHE 47 H PHE 47 11.694 10.696 3.382 203 HA PHE 47 HA PHE 47 8.846 11.169 4.082 204 HB2 PHE 47 HB2 PHE 47 9.092 11.488 1.226 205 HB3 PHE 47 HB3 PHE 47 8.321 12.497 2.426 206 HD1 PHE 47 HD2 PHE 47 11.884 11.698 1.453 207 HD2 PHE 47 HD1 PHE 47 8.917 14.737 2.253 208 HE1 PHE 47 HE2 PHE 47 13.542 13.441 1.000 209 HE2 PHE 47 HE1 PHE 47 10.554 16.497 1.647 210 HZ PHE 47 HZ PHE 47 12.869 15.869 0.990 211 H THR 48 H THR 48 7.324 9.907 2.782 212 HA THR 48 HA THR 48 8.217 7.162 2.125 213 HB THR 48 HB THR 48 5.806 6.807 1.601 214 HG1 THR 48 HG1 THR 48 5.437 9.443 2.540 215 HG21 THR 48 HG21 THR 48 6.335 8.076 4.324 216 HG22 THR 48 HG22 THR 48 4.884 7.145 3.869 217 HG23 THR 48 HG23 THR 48 6.478 6.372 3.881 218 H VAL 49 H VAL 49 7.663 6.131 0.050 219 HA VAL 49 HA VAL 49 8.539 7.180 -2.290 220 HB VAL 49 HB VAL 49 7.941 4.851 -1.788 221 HG11 VAL 49 HG11 VAL 49 5.141 5.466 -2.733 222 HG12 VAL 49 HG12 VAL 49 5.828 3.896 -2.305 223 HG13 VAL 49 HG13 VAL 49 5.607 5.110 -1.044 224 HG21 VAL 49 HG21 VAL 49 6.971 5.911 -4.468 225 HG22 VAL 49 HG22 VAL 49 8.659 5.567 -4.027 226 HG23 VAL 49 HG23 VAL 49 7.485 4.247 -4.121 227 H LYS 50 H LYS 50 5.266 7.382 -1.010 228 HA LYS 50 HA LYS 50 4.187 8.633 -3.349 229 HB2 LYS 50 HB2 LYS 50 2.430 7.695 -2.556 230 HB3 LYS 50 HB3 LYS 50 3.138 7.360 -1.013 231 HG2 LYS 50 HG2 LYS 50 1.806 10.029 -1.634 232 HG3 LYS 50 HG3 LYS 50 0.885 8.623 -1.152 233 HD2 LYS 50 HD2 LYS 50 3.144 9.774 0.506 234 HD3 LYS 50 HD3 LYS 50 1.462 10.224 0.727 235 HE2 LYS 50 HE2 LYS 50 2.583 7.393 1.039 236 HE3 LYS 50 HE3 LYS 50 2.364 8.537 2.356 237 HZ1 LYS 50 HZ1 LYS 50 0.149 7.467 0.673 238 HZ2 LYS 50 HZ2 LYS 50 0.466 7.048 2.215 239 HZ3 LYS 50 HZ3 LYS 50 -0.035 8.560 1.877 240 H GLU 51 H GLU 51 5.380 9.916 -0.342 241 HA GLU 51 HA GLU 51 4.825 12.717 -0.948 242 HB2 GLU 51 HB2 GLU 51 6.773 11.347 0.918 243 HB3 GLU 51 HB3 GLU 51 6.633 13.105 0.787 244 HG2 GLU 51 HG2 GLU 51 4.362 13.079 1.555 245 HG3 GLU 51 HG3 GLU 51 4.261 11.332 1.458 246 H VAL 52 H VAL 52 7.877 10.716 -1.292 247 HA VAL 52 HA VAL 52 9.398 12.837 -2.356 248 HB VAL 52 HB VAL 52 10.838 11.176 -3.398 249 HG11 VAL 52 HG11 VAL 52 10.208 10.440 -0.519 250 HG12 VAL 52 HG12 VAL 52 11.779 10.326 -1.330 251 HG13 VAL 52 HG13 VAL 52 11.080 11.922 -1.004 252 HG21 VAL 52 HG21 VAL 52 9.412 9.301 -3.941 253 HG22 VAL 52 HG22 VAL 52 10.750 8.821 -2.900 254 HG23 VAL 52 HG23 VAL 52 9.149 9.068 -2.195 255 H MET 53 H MET 53 7.635 10.349 -4.143 256 HA MET 53 HA MET 53 8.292 11.394 -6.694 257 HB2 MET 53 HB2 MET 53 6.934 9.830 -7.647 258 HB3 MET 53 HB3 MET 53 7.479 9.092 -6.167 259 HG2 MET 53 HG2 MET 53 5.230 8.499 -6.311 260 HG3 MET 53 HG3 MET 53 5.264 9.779 -5.110 261 HE1 MET 53 HE1 MET 53 5.408 10.319 -9.084 262 HE2 MET 53 HE2 MET 53 4.386 8.875 -8.892 263 HE3 MET 53 HE3 MET 53 3.687 10.419 -9.442 264 H HIS 54 H HIS 54 5.741 12.514 -4.516 265 HA HIS 54 HA HIS 54 4.173 13.927 -6.462 266 HB2 HIS 54 HB2 HIS 54 3.443 13.404 -4.150 267 HB3 HIS 54 HB3 HIS 54 4.620 14.554 -3.517 268 HD2 HIS 54 HD2 HIS 54 3.931 17.076 -3.427 269 HE1 HIS 54 HE1 HIS 54 0.264 16.861 -5.599 270 HE2 HIS 54 HE2 HIS 54 1.773 18.372 -4.210 271 H TYR 55 H TYR 55 7.102 14.873 -4.650 272 HA TYR 55 HA TYR 55 7.058 17.610 -5.448 273 HB2 TYR 55 HB2 TYR 55 9.455 15.909 -4.729 274 HB3 TYR 55 HB3 TYR 55 9.420 17.670 -4.789 275 HD1 TYR 55 HD1 TYR 55 7.336 18.735 -3.372 276 HD2 TYR 55 HD2 TYR 55 9.339 15.016 -2.549 277 HE1 TYR 55 HE1 TYR 55 6.393 18.737 -1.071 278 HE2 TYR 55 HE2 TYR 55 8.496 15.070 -0.225 279 HH TYR 55 HH TYR 55 6.229 17.595 0.937 280 H LEU 56 H LEU 56 8.216 14.766 -7.316 281 HA LEU 56 HA LEU 56 9.514 16.267 -9.381 282 HB2 LEU 56 HB2 LEU 56 8.026 13.603 -9.389 283 HB3 LEU 56 HB3 LEU 56 8.760 14.321 -10.815 284 HG LEU 56 HG LEU 56 10.939 14.335 -9.767 285 HD11 LEU 56 HD11 LEU 56 9.657 12.834 -7.477 286 HD12 LEU 56 HD12 LEU 56 11.402 12.858 -7.805 287 HD13 LEU 56 HD13 LEU 56 10.571 14.356 -7.400 288 HD21 LEU 56 HD21 LEU 56 11.341 11.959 -10.031 289 HD22 LEU 56 HD22 LEU 56 9.625 11.585 -9.719 290 HD23 LEU 56 HD23 LEU 56 10.108 12.447 -11.197 291 H GLY 57 H GLY 57 6.046 15.476 -8.841 292 HA2 GLY 57 HA2 GLY 57 5.072 16.465 -11.343 293 HA3 GLY 57 HA3 GLY 57 4.168 16.313 -9.827 294 H GLN 58 H GLN 58 5.291 18.095 -8.116 295 HA GLN 58 HA GLN 58 4.536 20.646 -9.202 296 HB2 GLN 58 HB2 GLN 58 4.682 21.500 -7.131 297 HB3 GLN 58 HB3 GLN 58 4.540 19.795 -6.722 298 HG2 GLN 58 HG2 GLN 58 7.095 19.764 -6.528 299 HG3 GLN 58 HG3 GLN 58 7.089 21.497 -6.791 300 HE21 GLN 58 HE22 GLN 58 7.755 22.213 -4.685 301 HE22 GLN 58 HE21 GLN 58 6.961 21.717 -3.208 302 H TYR 59 H TYR 59 7.748 19.077 -8.885 303 HA TYR 59 HA TYR 59 9.345 21.294 -9.504 304 HB2 TYR 59 HB2 TYR 59 10.268 19.126 -8.785 305 HB3 TYR 59 HB3 TYR 59 9.696 18.359 -10.223 306 HD1 TYR 59 HD2 TYR 59 10.654 18.983 -12.486 307 HD2 TYR 59 HD1 TYR 59 12.445 20.165 -8.749 308 HE1 TYR 59 HE2 TYR 59 12.871 19.114 -13.597 309 HE2 TYR 59 HE1 TYR 59 14.687 20.184 -9.845 310 HH TYR 59 HH TYR 59 15.877 19.819 -11.760 311 H ILE 60 H ILE 60 7.872 18.809 -11.710 312 HA ILE 60 HA ILE 60 8.706 19.998 -14.173 313 HB ILE 60 HB ILE 60 6.306 18.269 -13.482 314 HG12 ILE 60 HG12 ILE 60 8.757 17.284 -14.975 315 HG13 ILE 60 HG13 ILE 60 8.829 17.421 -13.223 316 HG21 ILE 60 HG21 ILE 60 7.400 19.113 -16.197 317 HG22 ILE 60 HG22 ILE 60 6.358 17.683 -15.975 318 HG23 ILE 60 HG23 ILE 60 5.745 19.266 -15.550 319 HD11 ILE 60 HD11 ILE 60 8.106 15.205 -13.711 320 HD12 ILE 60 HD12 ILE 60 6.712 16.079 -13.046 321 HD13 ILE 60 HD13 ILE 60 6.806 15.780 -14.786 322 H MET 61 H MET 61 5.727 20.480 -12.235 323 HA MET 61 HA MET 61 4.432 22.272 -14.004 324 HB2 MET 61 HB2 MET 61 3.547 21.023 -12.007 325 HB3 MET 61 HB3 MET 61 4.261 22.257 -10.970 326 HG2 MET 61 HG2 MET 61 2.218 22.776 -13.171 327 HG3 MET 61 HG3 MET 61 1.817 22.535 -11.479 328 HE1 MET 61 HE1 MET 61 1.203 25.094 -13.623 329 HE2 MET 61 HE2 MET 61 2.336 26.448 -13.422 330 HE3 MET 61 HE3 MET 61 2.872 24.951 -14.217 331 H VAL 62 H VAL 62 6.645 23.111 -11.241 332 HA VAL 62 HA VAL 62 6.619 25.930 -11.890 333 HB VAL 62 HB VAL 62 7.051 24.996 -9.636 334 HG11 VAL 62 HG11 VAL 62 8.683 23.231 -10.123 335 HG12 VAL 62 HG12 VAL 62 9.894 24.442 -10.585 336 HG13 VAL 62 HG13 VAL 62 9.285 24.357 -8.921 337 HG21 VAL 62 HG21 VAL 62 7.626 27.339 -10.219 338 HG22 VAL 62 HG22 VAL 62 8.693 26.653 -8.971 339 HG23 VAL 62 HG23 VAL 62 9.271 26.796 -10.648 340 H LYS 63 H LYS 63 8.880 23.353 -12.702 341 HA LYS 63 HA LYS 63 10.677 25.047 -14.238 342 HB2 LYS 63 HB2 LYS 63 10.348 22.033 -14.158 343 HB3 LYS 63 HB3 LYS 63 11.652 22.890 -14.984 344 HG2 LYS 63 HG2 LYS 63 11.175 22.898 -11.995 345 HG3 LYS 63 HG3 LYS 63 12.415 22.020 -12.888 346 HD2 LYS 63 HD2 LYS 63 13.212 24.401 -13.664 347 HD3 LYS 63 HD3 LYS 63 12.171 24.989 -12.352 348 HE2 LYS 63 HE2 LYS 63 14.078 24.695 -11.101 349 HE3 LYS 63 HE3 LYS 63 13.412 23.061 -10.968 350 HZ1 LYS 63 HZ1 LYS 63 15.568 24.002 -12.797 351 HZ2 LYS 63 HZ2 LYS 63 15.696 22.838 -11.666 352 HZ3 LYS 63 HZ3 LYS 63 14.844 22.578 -13.059 353 H GLN 64 H GLN 64 7.638 23.713 -15.073 354 HA GLN 64 HA GLN 64 6.484 23.165 -16.782 355 HB2 GLN 64 HB2 GLN 64 6.218 24.790 -18.611 356 HB3 GLN 64 HB3 GLN 64 5.982 25.411 -16.983 357 HG2 GLN 64 HG2 GLN 64 8.730 25.586 -18.019 358 HG3 GLN 64 HG3 GLN 64 7.576 26.582 -18.906 359 HE21 GLN 64 HE22 GLN 64 9.757 26.732 -16.373 360 HE22 GLN 64 HE21 GLN 64 8.953 27.928 -15.374 361 H LEU 65 H LEU 65 7.893 21.301 -16.777 362 HA LEU 65 HA LEU 65 9.516 21.047 -19.233 363 HB2 LEU 65 HB2 LEU 65 9.507 19.206 -16.809 364 HB3 LEU 65 HB3 LEU 65 10.508 19.039 -18.232 365 HG LEU 65 HG LEU 65 10.669 21.249 -16.186 366 HD11 LEU 65 HD11 LEU 65 11.493 19.067 -15.440 367 HD12 LEU 65 HD12 LEU 65 12.656 19.060 -16.799 368 HD13 LEU 65 HD13 LEU 65 12.753 20.309 -15.550 369 HD21 LEU 65 HD21 LEU 65 11.330 22.169 -18.372 370 HD22 LEU 65 HD22 LEU 65 12.761 21.926 -17.367 371 HD23 LEU 65 HD23 LEU 65 12.386 20.766 -18.662 372 H TYR 66 H TYR 66 6.683 21.157 -19.425 373 HA TYR 66 HA TYR 66 6.123 18.406 -20.354 374 HB2 TYR 66 HB2 TYR 66 3.797 18.595 -19.615 375 HB3 TYR 66 HB3 TYR 66 4.942 18.652 -18.290 376 HD1 TYR 66 HD1 TYR 66 5.308 20.676 -17.050 377 HD2 TYR 66 HD2 TYR 66 2.556 20.601 -20.314 378 HE1 TYR 66 HE1 TYR 66 4.305 22.857 -16.237 379 HE2 TYR 66 HE2 TYR 66 1.585 22.795 -19.582 380 HH TYR 66 HH TYR 66 1.643 24.474 -18.000 381 H ASP 67 H ASP 67 4.230 18.275 -21.924 382 HA ASP 67 HA ASP 67 4.805 20.137 -24.097 383 HB2 ASP 67 HB2 ASP 67 4.418 17.583 -24.210 384 HB3 ASP 67 HB3 ASP 67 2.702 17.984 -24.174 385 H GLN 68 H GLN 68 3.556 21.621 -25.017 386 HA GLN 68 HA GLN 68 1.308 22.879 -23.724 387 HB2 GLN 68 HB2 GLN 68 1.484 23.383 -26.602 388 HB3 GLN 68 HB3 GLN 68 1.541 24.481 -25.256 389 HG2 GLN 68 HG2 GLN 68 3.610 24.942 -25.887 390 HG3 GLN 68 HG3 GLN 68 4.141 23.414 -25.233 391 HE21 GLN 68 HE22 GLN 68 3.782 21.401 -27.080 392 HE22 GLN 68 HE21 GLN 68 4.314 21.965 -28.642 393 H GLN 69 H GLN 69 1.629 20.397 -26.270 394 HA GLN 69 HA GLN 69 -1.198 20.444 -27.008 395 HB2 GLN 69 HB2 GLN 69 0.959 18.393 -27.620 396 HB3 GLN 69 HB3 GLN 69 -0.610 18.546 -28.396 397 HG2 GLN 69 HG2 GLN 69 1.730 20.450 -28.577 398 HG3 GLN 69 HG3 GLN 69 1.024 19.495 -29.872 399 HE21 GLN 69 HE22 GLN 69 1.163 22.583 -28.583 400 HE22 GLN 69 HE21 GLN 69 -0.337 23.222 -29.236 401 H GLU 70 H GLU 70 0.752 18.762 -24.684 402 HA GLU 70 HA GLU 70 -1.529 17.143 -23.657 403 HB2 GLU 70 HB2 GLU 70 1.068 15.978 -24.747 404 HB3 GLU 70 HB3 GLU 70 0.060 15.143 -23.567 405 HG2 GLU 70 HG2 GLU 70 -1.886 15.375 -25.186 406 HG3 GLU 70 HG3 GLU 70 -0.719 15.929 -26.392 407 H GLN 71 H GLN 71 -1.483 18.427 -21.780 408 HA GLN 71 HA GLN 71 0.794 19.223 -20.364 409 HB2 GLN 71 HB2 GLN 71 -2.132 18.809 -19.730 410 HB3 GLN 71 HB3 GLN 71 -1.014 19.247 -18.431 411 HG2 GLN 71 HG2 GLN 71 -1.959 21.263 -19.203 412 HG3 GLN 71 HG3 GLN 71 -0.286 21.249 -19.742 413 HE21 GLN 71 HE22 GLN 71 0.091 20.783 -22.165 414 HE22 GLN 71 HE21 GLN 71 -1.207 21.313 -23.223 415 H HIS 72 H HIS 72 -0.932 16.141 -20.073 416 HA HIS 72 HA HIS 72 0.520 15.172 -17.774 417 HB2 HIS 72 HB2 HIS 72 -0.702 13.045 -18.511 418 HB3 HIS 72 HB3 HIS 72 -1.728 14.438 -18.211 419 HD2 HIS 72 HD2 HIS 72 -0.258 12.303 -21.027 420 HE1 HIS 72 HE1 HIS 72 -3.062 14.964 -22.869 421 HE2 HIS 72 HE2 HIS 72 -1.477 13.001 -23.302 422 H MET 73 H MET 73 1.574 15.587 -21.001 423 HA MET 73 HA MET 73 3.477 13.307 -20.898 424 HB2 MET 73 HB2 MET 73 2.162 13.615 -22.984 425 HB3 MET 73 HB3 MET 73 2.853 15.236 -23.164 426 HG2 MET 73 HG2 MET 73 4.046 13.681 -24.578 427 HG3 MET 73 HG3 MET 73 5.113 14.276 -23.310 428 HE1 MET 73 HE1 MET 73 6.014 11.842 -25.031 429 HE2 MET 73 HE2 MET 73 6.891 12.552 -23.656 430 HE3 MET 73 HE3 MET 73 6.646 10.790 -23.743 431 H VAL 74 H VAL 74 5.558 13.625 -20.399 432 HA VAL 74 HA VAL 74 6.402 16.411 -19.657 433 HB VAL 74 HB VAL 74 7.341 13.741 -18.524 434 HG11 VAL 74 HG11 VAL 74 8.172 15.173 -16.684 435 HG12 VAL 74 HG12 VAL 74 8.913 15.611 -18.217 436 HG13 VAL 74 HG13 VAL 74 7.612 16.610 -17.537 437 HG21 VAL 74 HG21 VAL 74 4.959 13.995 -17.948 438 HG22 VAL 74 HG22 VAL 74 5.949 14.329 -16.534 439 HG23 VAL 74 HG23 VAL 74 5.235 15.679 -17.445 440 H TYR 75 H TYR 75 8.386 17.109 -20.218 441 HA TYR 75 HA TYR 75 10.266 15.558 -21.914 442 HB2 TYR 75 HB2 TYR 75 8.979 18.226 -22.524 443 HB3 TYR 75 HB3 TYR 75 10.510 17.721 -23.241 444 HD1 TYR 75 HD2 TYR 75 10.655 15.425 -24.349 445 HD2 TYR 75 HD1 TYR 75 6.919 17.425 -23.532 446 HE1 TYR 75 HE2 TYR 75 9.516 13.922 -25.937 447 HE2 TYR 75 HE1 TYR 75 5.779 15.937 -25.185 448 HH TYR 75 HH TYR 75 7.528 13.396 -27.009 449 H CYS 76 H CYS 76 11.482 15.357 -19.951 450 HA CYS 76 HA CYS 76 12.430 17.714 -18.483 451 HB2 CYS 76 HB2 CYS 76 12.665 14.712 -18.053 452 HB3 CYS 76 HB3 CYS 76 13.513 15.890 -17.040 453 HG CYS 76 HG CYS 76 11.437 17.268 -16.291 454 H GLY 77 H GLY 77 13.640 16.431 -21.272 455 HA2 GLY 77 HA2 GLY 77 16.268 15.681 -20.779 456 HA3 GLY 77 HA3 GLY 77 15.716 16.424 -22.280 457 H GLY 78 H GLY 78 15.126 18.996 -20.689 458 HA2 GLY 78 HA2 GLY 78 17.778 20.225 -20.952 459 HA3 GLY 78 HA3 GLY 78 16.249 21.030 -20.625 460 H ASP 79 H ASP 79 16.446 18.582 -18.283 461 HA ASP 79 HA ASP 79 17.776 20.446 -16.361 462 HB2 ASP 79 HB2 ASP 79 15.027 20.197 -16.651 463 HB3 ASP 79 HB3 ASP 79 15.348 19.084 -15.349 464 H LEU 80 H LEU 80 17.889 19.621 -14.130 465 HA LEU 80 HA LEU 80 19.595 17.370 -13.945 466 HB2 LEU 80 HB2 LEU 80 19.184 19.337 -12.255 467 HB3 LEU 80 HB3 LEU 80 17.827 18.330 -11.682 468 HG LEU 80 HG LEU 80 19.350 16.549 -11.019 469 HD11 LEU 80 HD11 LEU 80 21.589 18.343 -12.046 470 HD12 LEU 80 HD12 LEU 80 21.822 16.922 -11.002 471 HD13 LEU 80 HD13 LEU 80 21.171 16.715 -12.622 472 HD21 LEU 80 HD21 LEU 80 20.468 17.689 -9.178 473 HD22 LEU 80 HD22 LEU 80 20.386 19.245 -10.035 474 HD23 LEU 80 HD23 LEU 80 18.904 18.469 -9.456 475 H LEU 81 H LEU 81 16.071 17.621 -13.032 476 HA LEU 81 HA LEU 81 15.745 15.015 -12.352 477 HB2 LEU 81 HB2 LEU 81 13.978 16.639 -12.082 478 HB3 LEU 81 HB3 LEU 81 13.824 16.855 -13.825 479 HG LEU 81 HG LEU 81 12.842 14.647 -14.086 480 HD11 LEU 81 HD11 LEU 81 13.156 14.307 -11.074 481 HD12 LEU 81 HD12 LEU 81 12.262 13.226 -12.164 482 HD13 LEU 81 HD13 LEU 81 14.009 13.370 -12.310 483 HD21 LEU 81 HD21 LEU 81 11.568 16.155 -11.765 484 HD22 LEU 81 HD22 LEU 81 11.365 16.525 -13.492 485 HD23 LEU 81 HD23 LEU 81 10.753 14.997 -12.844 486 H GLY 82 H GLY 82 15.779 16.243 -15.754 487 HA2 GLY 82 HA2 GLY 82 15.105 13.725 -17.028 488 HA3 GLY 82 HA3 GLY 82 15.926 15.104 -17.771 489 H GLU 83 H GLU 83 18.263 15.325 -16.296 490 HA GLU 83 HA GLU 83 19.868 13.226 -17.401 491 HB2 GLU 83 HB2 GLU 83 21.464 14.669 -17.035 492 HB3 GLU 83 HB3 GLU 83 20.301 15.739 -16.264 493 HG2 GLU 83 HG2 GLU 83 20.882 14.881 -14.065 494 HG3 GLU 83 HG3 GLU 83 21.935 13.655 -14.775 495 H LEU 84 H LEU 84 18.530 13.655 -14.162 496 HA LEU 84 HA LEU 84 19.684 11.353 -12.962 497 HB2 LEU 84 HB2 LEU 84 18.884 13.270 -11.757 498 HB3 LEU 84 HB3 LEU 84 17.238 13.055 -12.332 499 HG LEU 84 HG LEU 84 18.427 10.719 -10.887 500 HD11 LEU 84 HD11 LEU 84 17.580 13.268 -9.457 501 HD12 LEU 84 HD12 LEU 84 18.040 11.718 -8.692 502 HD13 LEU 84 HD13 LEU 84 19.238 12.660 -9.591 503 HD21 LEU 84 HD21 LEU 84 16.187 10.529 -9.986 504 HD22 LEU 84 HD22 LEU 84 15.734 12.137 -10.594 505 HD23 LEU 84 HD23 LEU 84 16.026 10.794 -11.713 506 H LEU 85 H LEU 85 16.514 11.793 -14.523 507 HA LEU 85 HA LEU 85 15.546 9.091 -14.252 508 HB2 LEU 85 HB2 LEU 85 15.024 11.311 -16.286 509 HB3 LEU 85 HB3 LEU 85 14.265 9.750 -16.442 510 HG LEU 85 HG LEU 85 14.006 11.338 -13.858 511 HD11 LEU 85 HD11 LEU 85 13.190 12.751 -15.700 512 HD12 LEU 85 HD12 LEU 85 12.213 11.404 -16.320 513 HD13 LEU 85 HD13 LEU 85 11.834 12.136 -14.742 514 HD21 LEU 85 HD21 LEU 85 13.355 8.914 -13.811 515 HD22 LEU 85 HD22 LEU 85 11.977 9.999 -13.573 516 HD23 LEU 85 HD23 LEU 85 12.227 9.218 -15.146 517 H GLY 86 H GLY 86 17.736 10.602 -16.626 518 HA2 GLY 86 HA2 GLY 86 19.324 9.553 -17.999 519 HA3 GLY 86 HA3 GLY 86 18.675 7.961 -17.588 520 H ARG 87 H ARG 87 16.157 10.005 -18.381 521 HA ARG 87 HA ARG 87 16.242 9.827 -21.295 522 HB2 ARG 87 HB2 ARG 87 14.051 8.845 -21.557 523 HB3 ARG 87 HB3 ARG 87 15.187 7.711 -20.855 524 HG2 ARG 87 HG2 ARG 87 13.254 9.244 -19.080 525 HG3 ARG 87 HG3 ARG 87 12.717 7.832 -19.974 526 HD2 ARG 87 HD2 ARG 87 15.144 7.737 -18.176 527 HD3 ARG 87 HD3 ARG 87 13.517 7.472 -17.562 528 HE ARG 87 HE ARG 87 13.661 5.719 -19.673 529 HH11 ARG 87 HH21 ARG 87 15.813 6.155 -16.906 530 HH12 ARG 87 HH22 ARG 87 16.203 4.456 -16.862 531 HH21 ARG 87 HH11 ARG 87 14.265 3.590 -19.561 532 HH22 ARG 87 HH12 ARG 87 15.373 3.057 -18.334 533 H GLN 88 H GLN 88 15.245 11.383 -22.255 534 HA GLN 88 HA GLN 88 14.488 13.780 -20.792 535 HB2 GLN 88 HB2 GLN 88 14.180 14.729 -23.004 536 HB3 GLN 88 HB3 GLN 88 15.691 13.810 -22.938 537 HG2 GLN 88 HG2 GLN 88 14.503 11.915 -24.134 538 HG3 GLN 88 HG3 GLN 88 13.084 12.955 -24.281 539 HE21 GLN 88 HE22 GLN 88 13.351 15.016 -25.594 540 HE22 GLN 88 HE21 GLN 88 14.583 15.015 -26.845 541 H SER 89 H SER 89 12.577 11.091 -21.933 542 HA SER 89 HA SER 89 10.144 12.652 -21.188 543 HB2 SER 89 HB2 SER 89 8.996 11.906 -23.253 544 HB3 SER 89 HB3 SER 89 10.376 12.972 -23.564 545 HG SER 89 HG SER 89 10.334 11.116 -24.972 546 H PHE 90 H PHE 90 8.354 11.739 -20.668 547 HA PHE 90 HA PHE 90 7.686 8.942 -20.585 548 HB2 PHE 90 HB2 PHE 90 7.679 8.632 -18.197 549 HB3 PHE 90 HB3 PHE 90 9.313 8.986 -18.719 550 HD1 PHE 90 HD1 PHE 90 10.329 11.260 -18.285 551 HD2 PHE 90 HD2 PHE 90 6.506 10.075 -16.658 552 HE1 PHE 90 HE1 PHE 90 10.390 13.180 -16.740 553 HE2 PHE 90 HE2 PHE 90 6.602 11.965 -15.068 554 HZ PHE 90 HZ PHE 90 8.562 13.507 -15.078 555 H SER 91 H SER 91 5.528 8.833 -19.194 556 HA SER 91 HA SER 91 3.987 11.410 -19.427 557 HB2 SER 91 HB2 SER 91 3.406 9.999 -21.306 558 HB3 SER 91 HB3 SER 91 3.125 8.615 -20.236 559 HG SER 91 HG SER 91 1.215 9.878 -20.908 560 H VAL 92 H VAL 92 2.354 11.717 -17.982 561 HA VAL 92 HA VAL 92 2.367 10.727 -15.297 562 HB VAL 92 HB VAL 92 0.429 12.041 -17.144 563 HG11 VAL 92 HG11 VAL 92 -1.179 12.539 -15.483 564 HG12 VAL 92 HG12 VAL 92 -1.092 10.812 -15.730 565 HG13 VAL 92 HG13 VAL 92 -0.327 11.528 -14.278 566 HG21 VAL 92 HG21 VAL 92 2.306 13.382 -16.236 567 HG22 VAL 92 HG22 VAL 92 0.724 14.004 -15.753 568 HG23 VAL 92 HG23 VAL 92 1.698 13.081 -14.596 569 H LYS 93 H LYS 93 0.920 9.505 -18.275 570 HA LYS 93 HA LYS 93 -0.703 7.434 -16.931 571 HB2 LYS 93 HB2 LYS 93 -0.311 7.828 -19.913 572 HB3 LYS 93 HB3 LYS 93 -1.618 6.983 -19.080 573 HG2 LYS 93 HG2 LYS 93 -2.289 9.247 -18.076 574 HG3 LYS 93 HG3 LYS 93 -1.114 9.985 -19.184 575 HD2 LYS 93 HD2 LYS 93 -2.371 8.675 -21.055 576 HD3 LYS 93 HD3 LYS 93 -3.663 8.479 -19.872 577 HE2 LYS 93 HE2 LYS 93 -2.493 11.101 -20.919 578 HE3 LYS 93 HE3 LYS 93 -4.025 10.391 -21.407 579 HZ1 LYS 93 HZ1 LYS 93 -4.341 12.149 -19.762 580 HZ2 LYS 93 HZ2 LYS 93 -4.865 10.727 -19.153 581 HZ3 LYS 93 HZ3 LYS 93 -3.443 11.367 -18.650 582 H ASP 94 H ASP 94 2.506 7.625 -17.650 583 HA ASP 94 HA ASP 94 2.882 4.691 -17.723 584 HB2 ASP 94 HB2 ASP 94 2.919 5.436 -20.073 585 HB3 ASP 94 HB3 ASP 94 4.172 6.616 -19.691 586 HA PRO 95 HA PRO 95 5.297 7.325 -14.710 587 HB2 PRO 95 HB2 PRO 95 4.733 6.020 -12.388 588 HB3 PRO 95 HB3 PRO 95 3.541 7.072 -13.201 589 HG2 PRO 95 HG2 PRO 95 3.772 4.057 -13.434 590 HG3 PRO 95 HG3 PRO 95 2.322 5.028 -13.001 591 HD2 PRO 95 HD2 PRO 95 2.749 4.234 -15.551 592 HD3 PRO 95 HD3 PRO 95 2.111 5.870 -15.203 593 H SER 96 H SER 96 5.717 4.031 -15.586 594 HA SER 96 HA SER 96 7.294 2.801 -13.849 595 HB2 SER 96 HB2 SER 96 7.746 2.778 -16.849 596 HB3 SER 96 HB3 SER 96 8.285 1.535 -15.702 597 HG SER 96 HG SER 96 6.252 1.019 -16.695 598 HA PRO 97 HA PRO 97 11.562 4.316 -15.289 599 HB2 PRO 97 HB2 PRO 97 11.908 6.883 -16.250 600 HB3 PRO 97 HB3 PRO 97 11.681 5.427 -17.271 601 HG2 PRO 97 HG2 PRO 97 9.604 7.451 -16.390 602 HG3 PRO 97 HG3 PRO 97 9.877 6.771 -18.030 603 HD2 PRO 97 HD2 PRO 97 7.952 5.817 -16.446 604 HD3 PRO 97 HD3 PRO 97 8.928 4.701 -17.435 605 H LEU 98 H LEU 98 9.319 6.657 -13.765 606 HA LEU 98 HA LEU 98 11.395 7.846 -12.136 607 HB2 LEU 98 HB2 LEU 98 9.816 9.287 -11.459 608 HB3 LEU 98 HB3 LEU 98 9.046 8.726 -12.912 609 HG LEU 98 HG LEU 98 7.735 7.105 -11.354 610 HD11 LEU 98 HD11 LEU 98 9.033 7.547 -9.248 611 HD12 LEU 98 HD12 LEU 98 8.571 9.253 -9.349 612 HD13 LEU 98 HD13 LEU 98 7.340 7.992 -9.091 613 HD21 LEU 98 HD21 LEU 98 6.761 9.012 -12.570 614 HD22 LEU 98 HD22 LEU 98 6.038 8.815 -10.971 615 HD23 LEU 98 HD23 LEU 98 7.239 10.099 -11.247 616 H TYR 99 H TYR 99 8.924 5.292 -11.563 617 HA TYR 99 HA TYR 99 9.775 4.727 -8.875 618 HB2 TYR 99 HB2 TYR 99 8.192 3.156 -10.937 619 HB3 TYR 99 HB3 TYR 99 8.554 2.530 -9.336 620 HD1 TYR 99 HD1 TYR 99 7.527 3.434 -7.317 621 HD2 TYR 99 HD2 TYR 99 6.669 5.137 -11.187 622 HE1 TYR 99 HE1 TYR 99 5.643 4.728 -6.335 623 HE2 TYR 99 HE2 TYR 99 4.883 6.533 -10.177 624 HH TYR 99 HH TYR 99 3.929 6.220 -6.731 625 H ASP 100 H ASP 100 10.818 3.408 -12.040 626 HA ASP 100 HA ASP 100 12.624 1.468 -11.058 627 HB2 ASP 100 HB2 ASP 100 11.821 1.988 -13.436 628 HB3 ASP 100 HB3 ASP 100 13.093 3.183 -13.481 629 H MET 101 H MET 101 13.100 4.946 -11.549 630 HA MET 101 HA MET 101 15.857 4.758 -10.580 631 HB2 MET 101 HB2 MET 101 16.246 6.995 -10.892 632 HB3 MET 101 HB3 MET 101 15.400 6.353 -12.295 633 HG2 MET 101 HG2 MET 101 14.589 8.510 -11.853 634 HG3 MET 101 HG3 MET 101 13.315 7.352 -11.454 635 HE1 MET 101 HE1 MET 101 11.747 8.887 -9.919 636 HE2 MET 101 HE2 MET 101 12.446 10.189 -8.949 637 HE3 MET 101 HE3 MET 101 12.737 10.146 -10.706 638 H LEU 102 H LEU 102 12.796 5.297 -8.844 639 HA LEU 102 HA LEU 102 14.160 6.307 -6.477 640 HB2 LEU 102 HB2 LEU 102 11.363 5.191 -6.958 641 HB3 LEU 102 HB3 LEU 102 11.921 5.800 -5.413 642 HG LEU 102 HG LEU 102 11.606 7.427 -7.953 643 HD11 LEU 102 HD11 LEU 102 9.481 6.745 -6.929 644 HD12 LEU 102 HD12 LEU 102 10.007 7.412 -5.370 645 HD13 LEU 102 HD13 LEU 102 9.747 8.489 -6.764 646 HD21 LEU 102 HD21 LEU 102 12.010 9.426 -6.717 647 HD22 LEU 102 HD22 LEU 102 12.206 8.554 -5.202 648 HD23 LEU 102 HD23 LEU 102 13.415 8.382 -6.500 649 H ARG 103 H ARG 103 13.043 3.133 -7.747 650 HA ARG 103 HA ARG 103 13.108 1.795 -5.325 651 HB2 ARG 103 HB2 ARG 103 12.797 -0.179 -6.470 652 HB3 ARG 103 HB3 ARG 103 12.013 1.120 -7.390 653 HG2 ARG 103 HG2 ARG 103 13.778 1.091 -9.040 654 HG3 ARG 103 HG3 ARG 103 14.675 -0.160 -8.141 655 HD2 ARG 103 HD2 ARG 103 12.742 -1.676 -8.365 656 HD3 ARG 103 HD3 ARG 103 11.841 -0.420 -9.210 657 HE ARG 103 HE ARG 103 13.364 -0.574 -11.112 658 HH11 ARG 103 HH11 ARG 103 13.846 -3.279 -8.898 659 HH12 ARG 103 HH12 ARG 103 14.625 -4.211 -10.149 660 HH21 ARG 103 HH21 ARG 103 14.280 -1.705 -12.520 661 HH22 ARG 103 HH22 ARG 103 14.881 -3.339 -12.212 662 H LYS 104 H LYS 104 15.831 2.263 -7.452 663 HA LYS 104 HA LYS 104 17.689 1.087 -5.487 664 HB2 LYS 104 HB2 LYS 104 19.359 1.716 -7.374 665 HB3 LYS 104 HB3 LYS 104 18.412 0.244 -7.401 666 HG2 LYS 104 HG2 LYS 104 18.635 1.301 -9.599 667 HG3 LYS 104 HG3 LYS 104 16.968 1.087 -9.085 668 HD2 LYS 104 HD2 LYS 104 17.297 3.170 -10.253 669 HD3 LYS 104 HD3 LYS 104 16.690 3.364 -8.608 670 HE2 LYS 104 HE2 LYS 104 18.127 5.182 -9.244 671 HE3 LYS 104 HE3 LYS 104 18.793 4.305 -7.866 672 HZ1 LYS 104 HZ1 LYS 104 20.519 4.785 -9.558 673 HZ2 LYS 104 HZ2 LYS 104 20.346 3.171 -9.430 674 HZ3 LYS 104 HZ3 LYS 104 19.701 3.967 -10.703 675 H ASN 105 H ASN 105 16.447 4.217 -5.997 676 HA ASN 105 HA ASN 105 18.965 5.560 -5.102 677 HB2 ASN 105 HB2 ASN 105 17.388 6.631 -6.770 678 HB3 ASN 105 HB3 ASN 105 16.269 6.905 -5.415 679 HD21 ASN 105 HD22 ASN 105 19.519 7.510 -6.703 680 HD22 ASN 105 HD21 ASN 105 19.967 8.675 -5.486 681 H LEU 106 H LEU 106 15.634 4.926 -3.989 682 HA LEU 106 HA LEU 106 16.691 5.048 -1.182 683 HB2 LEU 106 HB2 LEU 106 14.921 6.212 -0.310 684 HB3 LEU 106 HB3 LEU 106 15.506 7.152 -1.661 685 HG LEU 106 HG LEU 106 13.062 5.382 -2.057 686 HD11 LEU 106 HD11 LEU 106 13.067 8.178 -0.841 687 HD12 LEU 106 HD12 LEU 106 11.637 7.220 -1.303 688 HD13 LEU 106 HD13 LEU 106 12.665 6.685 0.030 689 HD21 LEU 106 HD21 LEU 106 14.041 6.527 -4.009 690 HD22 LEU 106 HD22 LEU 106 12.419 7.100 -3.587 691 HD23 LEU 106 HD23 LEU 106 13.843 8.090 -3.188 692 H VAL 107 H VAL 107 15.888 3.807 0.385 693 HA VAL 107 HA VAL 107 14.214 1.483 -0.418 694 HB VAL 107 HB VAL 107 15.760 1.977 2.162 695 HG11 VAL 107 HG11 VAL 107 13.807 0.514 2.552 696 HG12 VAL 107 HG12 VAL 107 14.272 -0.499 1.164 697 HG13 VAL 107 HG13 VAL 107 15.301 -0.422 2.609 698 HG21 VAL 107 HG21 VAL 107 16.344 0.131 -0.199 699 HG22 VAL 107 HG22 VAL 107 17.282 1.568 0.262 700 HG23 VAL 107 HG23 VAL 107 17.243 0.166 1.334 701 H THR 108 H THR 108 12.100 1.432 0.112 702 HA THR 108 HA THR 108 10.915 3.241 2.125 703 HB THR 108 HB THR 108 11.360 4.685 0.233 704 HG1 THR 108 HG1 THR 108 9.657 5.306 1.356 705 HG21 THR 108 HG21 THR 108 11.174 3.071 -1.650 706 HG22 THR 108 HG22 THR 108 9.415 3.012 -1.387 707 HG23 THR 108 HG23 THR 108 10.208 4.531 -1.868 708 H LEU 109 H LEU 109 8.311 3.194 1.352 709 HA LEU 109 HA LEU 109 7.557 0.607 2.417 710 HB2 LEU 109 HB2 LEU 109 5.862 2.925 1.485 711 HB3 LEU 109 HB3 LEU 109 5.286 1.504 2.354 712 HG LEU 109 HG LEU 109 7.176 3.645 3.411 713 HD11 LEU 109 HD11 LEU 109 5.356 3.967 5.022 714 HD12 LEU 109 HD12 LEU 109 4.742 4.112 3.361 715 HD13 LEU 109 HD13 LEU 109 4.460 2.616 4.283 716 HD21 LEU 109 HD21 LEU 109 6.355 1.008 4.714 717 HD22 LEU 109 HD22 LEU 109 8.012 1.565 4.369 718 HD23 LEU 109 HD23 LEU 109 7.044 2.386 5.595 719 H ALA 110 H ALA 110 7.857 1.617 -0.868 720 HA ALA 110 HA ALA 110 5.800 -0.013 -2.046 721 HB1 ALA 110 HB1 ALA 110 8.373 1.116 -3.230 722 HB2 ALA 110 HB2 ALA 110 7.011 0.443 -4.150 723 HB3 ALA 110 HB3 ALA 110 6.784 1.918 -3.196 724 H THR 111 H THR 111 5.829 -2.048 -2.900 725 HA THR 111 HA THR 111 8.227 -3.782 -2.666 726 HB THR 111 HB THR 111 7.010 -3.813 -0.527 727 HG1 THR 111 HG1 THR 111 7.040 -6.064 -0.414 728 HG21 THR 111 HG21 THR 111 4.669 -3.557 -1.300 729 HG22 THR 111 HG22 THR 111 4.734 -5.176 -2.032 730 HG23 THR 111 HG23 THR 111 4.887 -4.979 -0.275 731 HD1 48M 200 HD1 48M 200 2.727 14.882 -13.019 732 HD2 48M 200 HD2 48M 200 3.591 13.188 -9.143 733 HD3 48M 200 HD3 48M 200 0.018 10.891 -9.247 734 HD4 48M 200 HD4 48M 200 2.313 12.116 -12.661 735 HD5 48M 200 HD5 48M 200 -2.189 13.797 -13.507 736 HE1 48M 200 HE1 48M 200 4.974 14.213 -13.794 737 HE2 48M 200 HE2 48M 200 5.818 12.533 -9.939 738 HE3 48M 200 HE3 48M 200 0.909 8.595 -9.483 739 HE5 48M 200 HE5 48M 200 -3.283 14.694 -15.499 740 HE6 48M 200 HE6 48M 200 -0.338 17.794 -15.759 741 HZ2 48M 200 HZ2 48M 200 2.573 8.083 -11.254 742 HM21 48M 200 HM21 48M 200 3.234 15.922 -15.078 743 HM22 48M 200 HM22 48M 200 1.911 16.271 -16.197 744 HM23 48M 200 HM23 48M 200 3.368 17.267 -16.221 745 HM31 48M 200 HM31 48M 200 3.821 18.887 -14.170 746 HM32 48M 200 HM32 48M 200 2.674 18.863 -12.828 747 HM33 48M 200 HM33 48M 200 3.698 17.453 -13.133 748 HN1 48M 200 HN1 48M 200 -3.082 19.988 -10.274 749 H21 48M 200 H21 48M 200 -2.267 17.720 -9.097 750 H22 48M 200 H22 48M 200 -3.530 17.660 -10.344 751 H31 48M 200 H31 48M 200 -1.666 16.040 -10.699 752 H32 48M 200 H32 48M 200 -1.910 17.152 -12.067 753 H41 48M 200 H41 48M 200 0.544 19.285 -11.882 754 H42 48M 200 H42 48M 200 0.738 19.231 -10.116 755 H7 48M 200 H7 48M 200 -0.080 13.104 -9.841 756 H8 48M 200 H8 48M 200 1.560 14.583 -9.507 757 H9 48M 200 H9 48M 200 1.541 18.506 -15.040 Start of MODEL 8 1 H1 GLN 23 H GLN 23 7.648 16.032 13.057 2 HA GLN 23 HA GLN 23 9.771 16.186 11.145 3 HB2 GLN 23 HB2 GLN 23 11.462 14.807 12.215 4 HB3 GLN 23 HB3 GLN 23 11.193 16.298 13.117 5 HG2 GLN 23 HG2 GLN 23 9.795 15.040 14.765 6 HG3 GLN 23 HG3 GLN 23 10.091 13.548 13.869 7 HE21 GLN 23 HE22 GLN 23 10.768 13.351 16.436 8 HE22 GLN 23 HE21 GLN 23 12.509 13.493 16.649 9 H ILE 24 H ILE 24 10.260 14.219 10.074 10 HA ILE 24 HA ILE 24 7.955 12.338 9.989 11 HB ILE 24 HB ILE 24 10.020 13.211 7.946 12 HG12 ILE 24 HG12 ILE 24 7.007 13.427 7.696 13 HG13 ILE 24 HG13 ILE 24 7.930 14.692 8.511 14 HG21 ILE 24 HG21 ILE 24 9.663 10.930 7.437 15 HG22 ILE 24 HG22 ILE 24 7.911 11.007 7.787 16 HG23 ILE 24 HG23 ILE 24 8.576 11.769 6.339 17 HD11 ILE 24 HD11 ILE 24 7.554 15.377 6.246 18 HD12 ILE 24 HD12 ILE 24 9.281 15.017 6.431 19 HD13 ILE 24 HD13 ILE 24 8.205 13.866 5.599 20 H ASN 25 H ASN 25 8.260 10.124 9.766 21 HA ASN 25 HA ASN 25 10.853 9.065 10.788 22 HB2 ASN 25 HB2 ASN 25 8.094 7.867 11.187 23 HB3 ASN 25 HB3 ASN 25 9.599 7.456 12.004 24 HD21 ASN 25 HD22 ASN 25 10.561 9.969 12.859 25 HD22 ASN 25 HD21 ASN 25 9.357 10.683 13.917 26 H GLN 26 H GLN 26 10.824 9.427 8.215 27 HA GLN 26 HA GLN 26 10.568 6.814 6.867 28 HB2 GLN 26 HB2 GLN 26 8.943 9.152 6.265 29 HB3 GLN 26 HB3 GLN 26 9.729 8.427 4.868 30 HG2 GLN 26 HG2 GLN 26 8.303 6.766 7.010 31 HG3 GLN 26 HG3 GLN 26 7.470 7.370 5.636 32 HE21 GLN 26 HE22 GLN 26 9.186 4.677 6.780 33 HE22 GLN 26 HE21 GLN 26 9.681 4.009 5.233 34 H VAL 27 H VAL 27 11.514 7.512 4.326 35 HA VAL 27 HA VAL 27 14.341 7.644 5.221 36 HB VAL 27 HB VAL 27 13.140 6.318 2.760 37 HG11 VAL 27 HG11 VAL 27 15.523 6.667 2.366 38 HG12 VAL 27 HG12 VAL 27 15.917 5.999 3.974 39 HG13 VAL 27 HG13 VAL 27 15.238 4.969 2.703 40 HG21 VAL 27 HG21 VAL 27 13.957 5.086 5.427 41 HG22 VAL 27 HG22 VAL 27 12.304 5.188 4.778 42 HG23 VAL 27 HG23 VAL 27 13.493 4.169 3.979 43 H ARG 28 H ARG 28 15.996 8.428 4.195 44 HA ARG 28 HA ARG 28 15.607 10.974 2.815 45 HB2 ARG 28 HB2 ARG 28 17.024 10.875 4.762 46 HB3 ARG 28 HB3 ARG 28 17.977 9.559 4.074 47 HG2 ARG 28 HG2 ARG 28 18.819 11.070 2.314 48 HG3 ARG 28 HG3 ARG 28 17.898 12.416 3.000 49 HD2 ARG 28 HD2 ARG 28 20.009 10.805 4.513 50 HD3 ARG 28 HD3 ARG 28 20.394 12.246 3.592 51 HE ARG 28 HE ARG 28 18.949 12.094 6.164 52 HH11 ARG 28 HH11 ARG 28 19.957 14.229 3.563 53 HH12 ARG 28 HH12 ARG 28 19.565 15.674 4.472 54 HH21 ARG 28 HH21 ARG 28 18.588 13.984 7.301 55 HH22 ARG 28 HH22 ARG 28 18.811 15.531 6.515 56 HA PRO 29 HA PRO 29 16.656 9.063 -1.186 57 HB2 PRO 29 HB2 PRO 29 16.670 11.906 -2.100 58 HB3 PRO 29 HB3 PRO 29 15.791 10.495 -2.763 59 HG2 PRO 29 HG2 PRO 29 14.521 12.458 -1.342 60 HG3 PRO 29 HG3 PRO 29 14.043 10.739 -1.204 61 HD2 PRO 29 HD2 PRO 29 15.807 12.359 0.651 62 HD3 PRO 29 HD3 PRO 29 14.489 11.209 1.040 63 H LYS 30 H LYS 30 18.447 9.317 -2.762 64 HA LYS 30 HA LYS 30 20.994 10.100 -1.560 65 HB2 LYS 30 HB2 LYS 30 20.385 8.260 -3.410 66 HB3 LYS 30 HB3 LYS 30 20.654 9.625 -4.511 67 HG2 LYS 30 HG2 LYS 30 22.947 9.893 -3.438 68 HG3 LYS 30 HG3 LYS 30 22.606 8.405 -2.528 69 HD2 LYS 30 HD2 LYS 30 22.344 7.167 -4.662 70 HD3 LYS 30 HD3 LYS 30 22.674 8.663 -5.571 71 HE2 LYS 30 HE2 LYS 30 24.914 8.818 -4.510 72 HE3 LYS 30 HE3 LYS 30 24.588 7.353 -3.577 73 HZ1 LYS 30 HZ1 LYS 30 24.755 7.475 -6.550 74 HZ2 LYS 30 HZ2 LYS 30 25.897 6.862 -5.563 75 HZ3 LYS 30 HZ3 LYS 30 24.453 6.119 -5.684 76 H LEU 31 H LEU 31 22.426 11.625 -2.693 77 HA LEU 31 HA LEU 31 21.497 14.208 -2.322 78 HB2 LEU 31 HB2 LEU 31 23.935 13.296 -3.897 79 HB3 LEU 31 HB3 LEU 31 23.638 14.960 -3.406 80 HG LEU 31 HG LEU 31 24.017 12.609 -1.502 81 HD11 LEU 31 HD11 LEU 31 25.851 14.938 -2.205 82 HD12 LEU 31 HD12 LEU 31 26.173 13.671 -0.999 83 HD13 LEU 31 HD13 LEU 31 26.069 13.249 -2.715 84 HD21 LEU 31 HD21 LEU 31 23.720 15.595 -0.948 85 HD22 LEU 31 HD22 LEU 31 22.608 14.303 -0.431 86 HD23 LEU 31 HD23 LEU 31 24.235 14.381 0.243 87 HA PRO 32 HA PRO 32 20.956 15.261 -6.963 88 HB2 PRO 32 HB2 PRO 32 20.453 13.223 -8.761 89 HB3 PRO 32 HB3 PRO 32 22.077 13.920 -8.465 90 HG2 PRO 32 HG2 PRO 32 20.868 11.421 -7.241 91 HG3 PRO 32 HG3 PRO 32 22.491 11.623 -7.977 92 HD2 PRO 32 HD2 PRO 32 22.194 11.729 -5.321 93 HD3 PRO 32 HD3 PRO 32 23.266 12.902 -6.133 94 H LEU 33 H LEU 33 19.248 12.484 -5.651 95 HA LEU 33 HA LEU 33 16.743 13.311 -6.865 96 HB2 LEU 33 HB2 LEU 33 17.670 10.957 -6.081 97 HB3 LEU 33 HB3 LEU 33 16.935 11.382 -4.540 98 HG LEU 33 HG LEU 33 15.467 11.593 -7.206 99 HD11 LEU 33 HD11 LEU 33 15.369 9.191 -5.380 100 HD12 LEU 33 HD12 LEU 33 14.446 9.471 -6.874 101 HD13 LEU 33 HD13 LEU 33 16.179 9.259 -6.986 102 HD21 LEU 33 HD21 LEU 33 14.389 11.245 -4.385 103 HD22 LEU 33 HD22 LEU 33 14.333 12.722 -5.370 104 HD23 LEU 33 HD23 LEU 33 13.431 11.308 -5.876 105 H LEU 34 H LEU 34 18.148 13.584 -3.578 106 HA LEU 34 HA LEU 34 15.980 15.118 -2.504 107 HB2 LEU 34 HB2 LEU 34 17.786 13.962 -1.204 108 HB3 LEU 34 HB3 LEU 34 18.953 15.144 -1.791 109 HG LEU 34 HG LEU 34 17.752 16.951 -0.591 110 HD11 LEU 34 HD11 LEU 34 15.443 16.130 -0.595 111 HD12 LEU 34 HD12 LEU 34 15.918 14.699 0.360 112 HD13 LEU 34 HD13 LEU 34 15.988 16.325 1.067 113 HD21 LEU 34 HD21 LEU 34 18.298 16.218 1.689 114 HD22 LEU 34 HD22 LEU 34 18.325 14.519 1.158 115 HD23 LEU 34 HD23 LEU 34 19.537 15.671 0.549 116 H LYS 35 H LYS 35 18.887 16.176 -4.389 117 HA LYS 35 HA LYS 35 18.412 18.942 -4.237 118 HB2 LYS 35 HB2 LYS 35 20.336 17.393 -5.425 119 HB3 LYS 35 HB3 LYS 35 19.404 17.810 -6.848 120 HG2 LYS 35 HG2 LYS 35 21.016 19.536 -6.686 121 HG3 LYS 35 HG3 LYS 35 19.564 20.262 -5.998 122 HD2 LYS 35 HD2 LYS 35 21.158 20.822 -4.362 123 HD3 LYS 35 HD3 LYS 35 20.479 19.330 -3.702 124 HE2 LYS 35 HE2 LYS 35 22.796 19.113 -3.417 125 HE3 LYS 35 HE3 LYS 35 22.397 18.055 -4.769 126 HZ1 LYS 35 HZ1 LYS 35 23.228 19.821 -6.278 127 HZ2 LYS 35 HZ2 LYS 35 23.560 20.795 -5.007 128 HZ3 LYS 35 HZ3 LYS 35 24.387 19.408 -5.209 129 H ILE 36 H ILE 36 17.092 16.710 -6.703 130 HA ILE 36 HA ILE 36 15.530 18.508 -8.251 131 HB ILE 36 HB ILE 36 15.150 15.609 -7.509 132 HG12 ILE 36 HG12 ILE 36 15.967 16.840 -10.166 133 HG13 ILE 36 HG13 ILE 36 17.167 16.571 -8.924 134 HG21 ILE 36 HG21 ILE 36 12.929 16.502 -8.152 135 HG22 ILE 36 HG22 ILE 36 13.636 17.229 -9.610 136 HG23 ILE 36 HG23 ILE 36 13.582 15.464 -9.408 137 HD11 ILE 36 HD11 ILE 36 16.655 14.195 -8.828 138 HD12 ILE 36 HD12 ILE 36 15.433 14.371 -10.097 139 HD13 ILE 36 HD13 ILE 36 17.147 14.689 -10.452 140 H LEU 37 H LEU 37 14.622 16.657 -5.219 141 HA LEU 37 HA LEU 37 11.975 17.676 -4.952 142 HB2 LEU 37 HB2 LEU 37 14.020 16.285 -3.177 143 HB3 LEU 37 HB3 LEU 37 12.476 16.768 -2.531 144 HG LEU 37 HG LEU 37 11.308 15.282 -3.671 145 HD11 LEU 37 HD11 LEU 37 11.816 15.609 -5.979 146 HD12 LEU 37 HD12 LEU 37 13.371 14.776 -5.796 147 HD13 LEU 37 HD13 LEU 37 11.850 13.892 -5.592 148 HD21 LEU 37 HD21 LEU 37 13.941 13.868 -3.314 149 HD22 LEU 37 HD22 LEU 37 12.722 14.179 -2.055 150 HD23 LEU 37 HD23 LEU 37 12.349 13.081 -3.398 151 H HIS 38 H HIS 38 15.049 18.731 -3.437 152 HA HIS 38 HA HIS 38 13.865 20.874 -1.887 153 HB2 HIS 38 HB2 HIS 38 16.646 20.063 -2.778 154 HB3 HIS 38 HB3 HIS 38 16.389 21.636 -2.015 155 HD2 HIS 38 HD2 HIS 38 14.066 19.163 -0.486 156 HE1 HIS 38 HE1 HIS 38 17.367 19.390 2.194 157 HE2 HIS 38 HE2 HIS 38 14.946 18.601 1.924 158 H ALA 39 H ALA 39 15.321 20.801 -5.178 159 HA ALA 39 HA ALA 39 15.002 23.608 -5.663 160 HB1 ALA 39 HB1 ALA 39 15.255 22.885 -8.045 161 HB2 ALA 39 HB2 ALA 39 16.515 22.258 -6.965 162 HB3 ALA 39 HB3 ALA 39 15.197 21.192 -7.480 163 H ALA 40 H ALA 40 12.679 20.995 -5.586 164 HA ALA 40 HA ALA 40 10.592 22.630 -6.802 165 HB1 ALA 40 HB1 ALA 40 9.303 20.751 -6.758 166 HB2 ALA 40 HB2 ALA 40 10.904 19.984 -6.727 167 HB3 ALA 40 HB3 ALA 40 9.988 20.142 -5.228 168 H GLY 41 H GLY 41 11.862 22.134 -3.548 169 HA2 GLY 41 HA2 GLY 41 11.325 23.512 -1.709 170 HA3 GLY 41 HA3 GLY 41 9.726 23.840 -2.365 171 H ALA 42 H ALA 42 11.417 20.687 -1.706 172 HA ALA 42 HA ALA 42 9.132 19.480 -0.529 173 HB1 ALA 42 HB1 ALA 42 10.599 17.666 0.084 174 HB2 ALA 42 HB2 ALA 42 11.026 18.244 -1.531 175 HB3 ALA 42 HB3 ALA 42 12.025 18.681 -0.110 176 H GLN 43 H GLN 43 8.697 18.756 1.581 177 HA GLN 43 HA GLN 43 9.167 20.873 3.552 178 HB2 GLN 43 HB2 GLN 43 6.904 19.919 2.723 179 HB3 GLN 43 HB3 GLN 43 7.219 18.570 3.815 180 HG2 GLN 43 HG2 GLN 43 7.375 20.240 5.716 181 HG3 GLN 43 HG3 GLN 43 7.033 21.532 4.566 182 HE21 GLN 43 HE22 GLN 43 4.847 21.474 3.457 183 HE22 GLN 43 HE21 GLN 43 3.527 20.691 4.316 184 H GLY 44 H GLY 44 11.409 19.101 3.155 185 HA2 GLY 44 HA2 GLY 44 12.456 18.612 5.644 186 HA3 GLY 44 HA3 GLY 44 11.485 17.172 5.356 187 H GLU 45 H GLU 45 13.387 15.997 5.524 188 HA GLU 45 HA GLU 45 14.849 15.664 2.937 189 HB2 GLU 45 HB2 GLU 45 16.088 15.455 5.705 190 HB3 GLU 45 HB3 GLU 45 16.893 15.147 4.163 191 HG2 GLU 45 HG2 GLU 45 16.555 17.534 3.530 192 HG3 GLU 45 HG3 GLU 45 15.903 17.846 5.148 193 H MET 46 H MET 46 12.672 14.242 4.845 194 HA MET 46 HA MET 46 13.510 11.377 4.402 195 HB2 MET 46 HB2 MET 46 12.671 12.720 7.001 196 HB3 MET 46 HB3 MET 46 12.486 10.994 6.706 197 HG2 MET 46 HG2 MET 46 14.918 10.815 6.240 198 HG3 MET 46 HG3 MET 46 15.114 12.533 6.585 199 HE1 MET 46 HE1 MET 46 13.257 12.972 9.230 200 HE2 MET 46 HE2 MET 46 14.518 12.736 10.454 201 HE3 MET 46 HE3 MET 46 14.891 13.630 8.965 202 H PHE 47 H PHE 47 11.855 10.753 3.020 203 HA PHE 47 HA PHE 47 9.043 11.226 3.909 204 HB2 PHE 47 HB2 PHE 47 9.254 11.673 1.034 205 HB3 PHE 47 HB3 PHE 47 8.461 12.609 2.277 206 HD1 PHE 47 HD1 PHE 47 11.927 11.881 1.005 207 HD2 PHE 47 HD2 PHE 47 9.207 14.826 2.594 208 HE1 PHE 47 HE1 PHE 47 13.636 13.613 0.715 209 HE2 PHE 47 HE2 PHE 47 10.878 16.605 2.146 210 HZ PHE 47 HZ PHE 47 13.098 16.017 1.187 211 H THR 48 H THR 48 7.437 10.127 2.510 212 HA THR 48 HA THR 48 8.118 7.326 1.922 213 HB THR 48 HB THR 48 5.576 7.290 1.483 214 HG1 THR 48 HG1 THR 48 4.655 9.297 2.516 215 HG21 THR 48 HG21 THR 48 6.407 8.453 4.161 216 HG22 THR 48 HG22 THR 48 4.985 7.432 3.801 217 HG23 THR 48 HG23 THR 48 6.626 6.751 3.702 218 H VAL 49 H VAL 49 7.295 6.343 -0.083 219 HA VAL 49 HA VAL 49 8.285 7.275 -2.457 220 HB VAL 49 HB VAL 49 7.575 4.983 -1.877 221 HG11 VAL 49 HG11 VAL 49 5.419 4.123 -2.403 222 HG12 VAL 49 HG12 VAL 49 5.251 5.371 -1.164 223 HG13 VAL 49 HG13 VAL 49 4.817 5.721 -2.863 224 HG21 VAL 49 HG21 VAL 49 8.341 5.583 -4.129 225 HG22 VAL 49 HG22 VAL 49 7.092 4.333 -4.196 226 HG23 VAL 49 HG23 VAL 49 6.678 6.013 -4.598 227 H LYS 50 H LYS 50 5.043 7.670 -1.136 228 HA LYS 50 HA LYS 50 3.890 8.919 -3.413 229 HB2 LYS 50 HB2 LYS 50 1.960 8.920 -2.104 230 HB3 LYS 50 HB3 LYS 50 2.847 7.473 -1.650 231 HG2 LYS 50 HG2 LYS 50 3.633 8.585 0.397 232 HG3 LYS 50 HG3 LYS 50 2.723 10.052 -0.024 233 HD2 LYS 50 HD2 LYS 50 0.615 8.757 0.059 234 HD3 LYS 50 HD3 LYS 50 1.532 7.284 0.462 235 HE2 LYS 50 HE2 LYS 50 2.368 8.339 2.528 236 HE3 LYS 50 HE3 LYS 50 1.526 9.843 2.128 237 HZ1 LYS 50 HZ1 LYS 50 0.183 7.238 2.664 238 HZ2 LYS 50 HZ2 LYS 50 0.236 8.500 3.696 239 HZ3 LYS 50 HZ3 LYS 50 -0.589 8.631 2.296 240 H GLU 51 H GLU 51 5.544 10.235 -0.587 241 HA GLU 51 HA GLU 51 4.910 13.025 -1.291 242 HB2 GLU 51 HB2 GLU 51 6.794 11.780 0.731 243 HB3 GLU 51 HB3 GLU 51 6.589 13.520 0.512 244 HG2 GLU 51 HG2 GLU 51 4.342 11.606 1.285 245 HG3 GLU 51 HG3 GLU 51 5.297 12.543 2.422 246 H VAL 52 H VAL 52 7.886 10.921 -1.463 247 HA VAL 52 HA VAL 52 9.531 12.869 -2.661 248 HB VAL 52 HB VAL 52 10.816 11.069 -3.647 249 HG11 VAL 52 HG11 VAL 52 11.116 11.873 -1.269 250 HG12 VAL 52 HG12 VAL 52 10.149 10.462 -0.746 251 HG13 VAL 52 HG13 VAL 52 11.703 10.228 -1.561 252 HG21 VAL 52 HG21 VAL 52 10.466 8.713 -2.930 253 HG22 VAL 52 HG22 VAL 52 8.829 9.213 -2.509 254 HG23 VAL 52 HG23 VAL 52 9.372 9.294 -4.197 255 H MET 53 H MET 53 7.536 10.454 -4.303 256 HA MET 53 HA MET 53 8.071 11.566 -6.887 257 HB2 MET 53 HB2 MET 53 6.859 9.927 -7.799 258 HB3 MET 53 HB3 MET 53 7.314 9.208 -6.284 259 HG2 MET 53 HG2 MET 53 5.088 8.599 -6.517 260 HG3 MET 53 HG3 MET 53 5.018 9.941 -5.384 261 HE1 MET 53 HE1 MET 53 3.750 10.199 -9.861 262 HE2 MET 53 HE2 MET 53 5.449 10.256 -9.401 263 HE3 MET 53 HE3 MET 53 4.513 8.775 -9.119 264 H HIS 54 H HIS 54 5.725 12.652 -4.488 265 HA HIS 54 HA HIS 54 4.020 14.127 -6.337 266 HB2 HIS 54 HB2 HIS 54 3.230 13.641 -4.087 267 HB3 HIS 54 HB3 HIS 54 4.588 14.510 -3.367 268 HD2 HIS 54 HD2 HIS 54 4.433 17.112 -3.128 269 HE1 HIS 54 HE1 HIS 54 0.697 17.734 -5.090 270 HE2 HIS 54 HE2 HIS 54 2.542 18.843 -3.724 271 H TYR 55 H TYR 55 6.960 14.934 -4.452 272 HA TYR 55 HA TYR 55 7.159 17.624 -5.342 273 HB2 TYR 55 HB2 TYR 55 9.400 15.717 -4.660 274 HB3 TYR 55 HB3 TYR 55 9.538 17.471 -4.741 275 HD1 TYR 55 HD2 TYR 55 7.418 18.636 -3.286 276 HD2 TYR 55 HD1 TYR 55 9.491 14.963 -2.453 277 HE1 TYR 55 HE2 TYR 55 6.674 18.756 -0.914 278 HE2 TYR 55 HE1 TYR 55 8.818 15.109 -0.078 279 HH TYR 55 HH TYR 55 7.618 16.308 1.519 280 H LEU 56 H LEU 56 7.912 14.650 -7.148 281 HA LEU 56 HA LEU 56 9.449 15.990 -9.227 282 HB2 LEU 56 HB2 LEU 56 7.697 13.529 -9.540 283 HB3 LEU 56 HB3 LEU 56 8.986 14.061 -10.606 284 HG LEU 56 HG LEU 56 9.356 13.064 -7.759 285 HD11 LEU 56 HD11 LEU 56 8.626 11.351 -9.415 286 HD12 LEU 56 HD12 LEU 56 10.042 11.742 -10.412 287 HD13 LEU 56 HD13 LEU 56 10.254 11.060 -8.778 288 HD21 LEU 56 HD21 LEU 56 11.769 12.978 -8.360 289 HD22 LEU 56 HD22 LEU 56 11.387 13.820 -9.881 290 HD23 LEU 56 HD23 LEU 56 11.135 14.629 -8.320 291 H GLY 57 H GLY 57 5.949 15.202 -8.850 292 HA2 GLY 57 HA2 GLY 57 5.038 16.314 -11.300 293 HA3 GLY 57 HA3 GLY 57 4.091 16.169 -9.810 294 H GLN 58 H GLN 58 5.263 17.883 -8.042 295 HA GLN 58 HA GLN 58 4.518 20.455 -9.062 296 HB2 GLN 58 HB2 GLN 58 4.607 21.206 -6.967 297 HB3 GLN 58 HB3 GLN 58 4.619 19.490 -6.589 298 HG2 GLN 58 HG2 GLN 58 7.169 19.666 -6.434 299 HG3 GLN 58 HG3 GLN 58 7.018 21.396 -6.675 300 HE21 GLN 58 HE22 GLN 58 7.811 22.003 -4.551 301 HE22 GLN 58 HE21 GLN 58 7.018 21.494 -3.082 302 H TYR 59 H TYR 59 7.754 18.926 -8.738 303 HA TYR 59 HA TYR 59 9.323 21.189 -9.348 304 HB2 TYR 59 HB2 TYR 59 10.263 19.071 -8.541 305 HB3 TYR 59 HB3 TYR 59 9.783 18.254 -10.000 306 HD1 TYR 59 HD1 TYR 59 10.907 18.716 -12.155 307 HD2 TYR 59 HD2 TYR 59 12.208 20.602 -8.499 308 HE1 TYR 59 HE1 TYR 59 13.174 19.048 -13.136 309 HE2 TYR 59 HE2 TYR 59 14.469 20.905 -9.482 310 HH TYR 59 HH TYR 59 15.364 19.646 -12.669 311 H ILE 60 H ILE 60 7.964 18.638 -11.546 312 HA ILE 60 HA ILE 60 8.879 19.810 -13.996 313 HB ILE 60 HB ILE 60 6.482 18.041 -13.391 314 HG12 ILE 60 HG12 ILE 60 9.052 17.059 -14.680 315 HG13 ILE 60 HG13 ILE 60 8.989 17.232 -12.934 316 HG21 ILE 60 HG21 ILE 60 6.108 19.023 -15.554 317 HG22 ILE 60 HG22 ILE 60 7.781 18.741 -16.062 318 HG23 ILE 60 HG23 ILE 60 6.662 17.376 -15.825 319 HD11 ILE 60 HD11 ILE 60 6.891 15.842 -12.886 320 HD12 ILE 60 HD12 ILE 60 7.129 15.509 -14.607 321 HD13 ILE 60 HD13 ILE 60 8.353 14.992 -13.423 322 H MET 61 H MET 61 5.832 20.240 -12.162 323 HA MET 61 HA MET 61 4.550 21.957 -14.009 324 HB2 MET 61 HB2 MET 61 3.560 20.703 -12.057 325 HB3 MET 61 HB3 MET 61 4.240 21.925 -10.981 326 HG2 MET 61 HG2 MET 61 1.905 22.418 -11.440 327 HG3 MET 61 HG3 MET 61 2.921 23.670 -12.142 328 HE1 MET 61 HE1 MET 61 2.718 24.486 -14.459 329 HE2 MET 61 HE2 MET 61 1.245 24.093 -15.381 330 HE3 MET 61 HE3 MET 61 1.120 24.644 -13.695 331 H VAL 62 H VAL 62 6.727 22.837 -11.257 332 HA VAL 62 HA VAL 62 6.553 25.679 -11.884 333 HB VAL 62 HB VAL 62 6.961 24.807 -9.622 334 HG11 VAL 62 HG11 VAL 62 9.190 24.260 -8.833 335 HG12 VAL 62 HG12 VAL 62 8.654 23.088 -10.022 336 HG13 VAL 62 HG13 VAL 62 9.843 24.327 -10.480 337 HG21 VAL 62 HG21 VAL 62 8.534 26.532 -8.950 338 HG22 VAL 62 HG22 VAL 62 9.133 26.678 -10.618 339 HG23 VAL 62 HG23 VAL 62 7.460 27.156 -10.221 340 H LYS 63 H LYS 63 8.993 23.166 -12.558 341 HA LYS 63 HA LYS 63 10.722 24.894 -14.113 342 HB2 LYS 63 HB2 LYS 63 10.503 21.868 -13.974 343 HB3 LYS 63 HB3 LYS 63 11.808 22.753 -14.767 344 HG2 LYS 63 HG2 LYS 63 11.220 22.842 -11.799 345 HG3 LYS 63 HG3 LYS 63 12.489 21.933 -12.616 346 HD2 LYS 63 HD2 LYS 63 13.355 24.231 -13.460 347 HD3 LYS 63 HD3 LYS 63 12.224 24.931 -12.288 348 HE2 LYS 63 HE2 LYS 63 14.113 24.791 -10.974 349 HE3 LYS 63 HE3 LYS 63 13.313 23.261 -10.579 350 HZ1 LYS 63 HZ1 LYS 63 15.502 23.585 -12.606 351 HZ2 LYS 63 HZ2 LYS 63 15.731 23.006 -11.103 352 HZ3 LYS 63 HZ3 LYS 63 14.848 22.148 -12.173 353 H GLN 64 H GLN 64 7.740 23.506 -15.022 354 HA GLN 64 HA GLN 64 6.709 22.835 -16.781 355 HB2 GLN 64 HB2 GLN 64 6.415 24.374 -18.644 356 HB3 GLN 64 HB3 GLN 64 6.188 25.081 -17.055 357 HG2 GLN 64 HG2 GLN 64 8.943 25.411 -17.796 358 HG3 GLN 64 HG3 GLN 64 7.968 25.909 -19.164 359 HE21 GLN 64 HE22 GLN 64 8.111 26.319 -15.532 360 HE22 GLN 64 HE21 GLN 64 7.541 27.953 -15.565 361 H LEU 65 H LEU 65 8.235 21.048 -16.615 362 HA LEU 65 HA LEU 65 9.964 20.779 -18.991 363 HB2 LEU 65 HB2 LEU 65 9.854 18.994 -16.521 364 HB3 LEU 65 HB3 LEU 65 10.870 18.736 -17.916 365 HG LEU 65 HG LEU 65 11.072 20.997 -15.933 366 HD11 LEU 65 HD11 LEU 65 13.144 20.008 -15.290 367 HD12 LEU 65 HD12 LEU 65 11.862 18.795 -15.163 368 HD13 LEU 65 HD13 LEU 65 13.008 18.752 -16.532 369 HD21 LEU 65 HD21 LEU 65 13.185 21.607 -17.122 370 HD22 LEU 65 HD22 LEU 65 12.767 20.451 -18.409 371 HD23 LEU 65 HD23 LEU 65 11.754 21.884 -18.117 372 H TYR 66 H TYR 66 7.275 20.962 -19.482 373 HA TYR 66 HA TYR 66 6.672 18.188 -20.320 374 HB2 TYR 66 HB2 TYR 66 4.253 18.616 -20.004 375 HB3 TYR 66 HB3 TYR 66 5.201 18.529 -18.535 376 HD1 TYR 66 HD2 TYR 66 3.650 20.947 -20.939 377 HD2 TYR 66 HD1 TYR 66 5.205 20.277 -17.010 378 HE1 TYR 66 HE2 TYR 66 2.814 23.199 -20.253 379 HE2 TYR 66 HE1 TYR 66 4.335 22.526 -16.270 380 HH TYR 66 HH TYR 66 3.281 24.477 -16.935 381 H ASP 67 H ASP 67 5.050 18.017 -22.131 382 HA ASP 67 HA ASP 67 5.904 19.702 -24.365 383 HB2 ASP 67 HB2 ASP 67 5.438 17.233 -24.538 384 HB3 ASP 67 HB3 ASP 67 3.724 17.617 -24.318 385 H GLN 68 H GLN 68 4.725 21.035 -25.642 386 HA GLN 68 HA GLN 68 2.806 22.712 -24.376 387 HB2 GLN 68 HB2 GLN 68 2.787 23.151 -27.195 388 HB3 GLN 68 HB3 GLN 68 3.376 24.162 -25.898 389 HG2 GLN 68 HG2 GLN 68 5.285 24.056 -27.079 390 HG3 GLN 68 HG3 GLN 68 5.583 22.587 -26.184 391 HE21 GLN 68 HE22 GLN 68 5.377 20.429 -27.497 392 HE22 GLN 68 HE21 GLN 68 5.057 20.563 -29.185 393 H GLN 69 H GLN 69 2.379 20.165 -26.885 394 HA GLN 69 HA GLN 69 -0.539 20.647 -27.034 395 HB2 GLN 69 HB2 GLN 69 1.306 18.577 -28.308 396 HB3 GLN 69 HB3 GLN 69 -0.437 18.541 -28.414 397 HG2 GLN 69 HG2 GLN 69 0.185 19.532 -30.414 398 HG3 GLN 69 HG3 GLN 69 -0.359 20.882 -29.429 399 HE21 GLN 69 HE22 GLN 69 1.099 22.645 -29.286 400 HE22 GLN 69 HE21 GLN 69 2.807 22.510 -29.721 401 H GLU 70 H GLU 70 1.757 18.523 -25.426 402 HA GLU 70 HA GLU 70 -0.501 17.029 -24.095 403 HB2 GLU 70 HB2 GLU 70 2.116 15.985 -25.231 404 HB3 GLU 70 HB3 GLU 70 1.091 15.079 -24.118 405 HG2 GLU 70 HG2 GLU 70 -0.838 15.448 -25.755 406 HG3 GLU 70 HG3 GLU 70 0.363 16.035 -26.908 407 H GLN 71 H GLN 71 -0.442 18.492 -22.293 408 HA GLN 71 HA GLN 71 1.784 19.083 -20.717 409 HB2 GLN 71 HB2 GLN 71 -1.198 18.867 -20.271 410 HB3 GLN 71 HB3 GLN 71 -0.139 19.199 -18.897 411 HG2 GLN 71 HG2 GLN 71 -0.868 21.293 -19.660 412 HG3 GLN 71 HG3 GLN 71 0.818 21.169 -20.143 413 HE21 GLN 71 HE22 GLN 71 1.217 20.677 -22.595 414 HE22 GLN 71 HE21 GLN 71 0.003 21.369 -23.654 415 H HIS 72 H HIS 72 -0.040 16.052 -20.662 416 HA HIS 72 HA HIS 72 1.124 15.042 -18.200 417 HB2 HIS 72 HB2 HIS 72 0.130 12.870 -19.158 418 HB3 HIS 72 HB3 HIS 72 -1.001 14.179 -18.800 419 HD2 HIS 72 HD2 HIS 72 0.616 12.286 -21.710 420 HE1 HIS 72 HE1 HIS 72 -2.110 15.067 -23.478 421 HE2 HIS 72 HE2 HIS 72 -0.518 13.114 -23.971 422 H MET 73 H MET 73 2.286 15.251 -21.451 423 HA MET 73 HA MET 73 4.321 13.116 -21.150 424 HB2 MET 73 HB2 MET 73 3.494 13.200 -23.346 425 HB3 MET 73 HB3 MET 73 3.500 14.956 -23.399 426 HG2 MET 73 HG2 MET 73 5.265 14.007 -24.789 427 HG3 MET 73 HG3 MET 73 5.856 15.092 -23.545 428 HE1 MET 73 HE1 MET 73 4.883 11.231 -23.239 429 HE2 MET 73 HE2 MET 73 5.668 11.417 -24.829 430 HE3 MET 73 HE3 MET 73 6.480 10.507 -23.533 431 H VAL 74 H VAL 74 6.179 13.478 -20.251 432 HA VAL 74 HA VAL 74 6.934 16.241 -19.394 433 HB VAL 74 HB VAL 74 7.786 13.525 -18.296 434 HG11 VAL 74 HG11 VAL 74 8.141 16.345 -17.202 435 HG12 VAL 74 HG12 VAL 74 8.647 14.857 -16.408 436 HG13 VAL 74 HG13 VAL 74 9.416 15.342 -17.918 437 HG21 VAL 74 HG21 VAL 74 5.729 15.514 -17.233 438 HG22 VAL 74 HG22 VAL 74 5.399 13.870 -17.821 439 HG23 VAL 74 HG23 VAL 74 6.344 14.093 -16.354 440 H TYR 75 H TYR 75 8.778 17.076 -20.180 441 HA TYR 75 HA TYR 75 10.786 15.450 -21.673 442 HB2 TYR 75 HB2 TYR 75 9.456 18.037 -22.437 443 HB3 TYR 75 HB3 TYR 75 11.110 17.703 -22.938 444 HD1 TYR 75 HD1 TYR 75 11.612 15.362 -23.943 445 HD2 TYR 75 HD2 TYR 75 7.692 17.158 -23.842 446 HE1 TYR 75 HE1 TYR 75 10.893 13.876 -25.777 447 HE2 TYR 75 HE2 TYR 75 6.993 15.715 -25.752 448 HH TYR 75 HH TYR 75 9.187 13.298 -27.236 449 H CYS 76 H CYS 76 12.157 15.241 -19.964 450 HA CYS 76 HA CYS 76 13.192 17.588 -18.483 451 HB2 CYS 76 HB2 CYS 76 13.501 14.593 -18.018 452 HB3 CYS 76 HB3 CYS 76 14.205 15.860 -17.002 453 HG CYS 76 HG CYS 76 11.937 17.048 -16.385 454 H GLY 77 H GLY 77 14.048 16.647 -21.388 455 HA2 GLY 77 HA2 GLY 77 16.706 15.745 -21.327 456 HA3 GLY 77 HA3 GLY 77 16.027 16.757 -22.600 457 H GLY 78 H GLY 78 18.523 16.569 -20.515 458 HA2 GLY 78 HA2 GLY 78 20.237 18.076 -20.094 459 HA3 GLY 78 HA3 GLY 78 19.241 19.407 -20.671 460 H ASP 79 H ASP 79 17.368 17.817 -18.356 461 HA ASP 79 HA ASP 79 18.126 19.754 -16.234 462 HB2 ASP 79 HB2 ASP 79 15.728 19.447 -17.052 463 HB3 ASP 79 HB3 ASP 79 15.756 17.862 -16.288 464 H LEU 80 H LEU 80 18.227 19.018 -13.949 465 HA LEU 80 HA LEU 80 19.903 16.767 -13.422 466 HB2 LEU 80 HB2 LEU 80 19.001 18.950 -11.992 467 HB3 LEU 80 HB3 LEU 80 18.014 17.664 -11.289 468 HG LEU 80 HG LEU 80 21.068 17.676 -11.478 469 HD11 LEU 80 HD11 LEU 80 20.214 19.396 -9.956 470 HD12 LEU 80 HD12 LEU 80 19.191 18.197 -9.138 471 HD13 LEU 80 HD13 LEU 80 20.966 18.085 -9.036 472 HD21 LEU 80 HD21 LEU 80 20.991 15.833 -9.839 473 HD22 LEU 80 HD22 LEU 80 19.220 15.790 -9.944 474 HD23 LEU 80 HD23 LEU 80 20.222 15.359 -11.350 475 H LEU 81 H LEU 81 16.317 17.211 -13.058 476 HA LEU 81 HA LEU 81 15.757 14.597 -12.263 477 HB2 LEU 81 HB2 LEU 81 14.148 16.416 -12.196 478 HB3 LEU 81 HB3 LEU 81 14.136 16.542 -13.949 479 HG LEU 81 HG LEU 81 12.982 14.438 -14.197 480 HD11 LEU 81 HD11 LEU 81 13.231 14.123 -11.183 481 HD12 LEU 81 HD12 LEU 81 12.170 13.142 -12.221 482 HD13 LEU 81 HD13 LEU 81 13.918 13.054 -12.414 483 HD21 LEU 81 HD21 LEU 81 10.874 14.975 -13.076 484 HD22 LEU 81 HD22 LEU 81 11.721 16.044 -11.933 485 HD23 LEU 81 HD23 LEU 81 11.645 16.458 -13.660 486 H GLY 82 H GLY 82 16.277 15.752 -15.605 487 HA2 GLY 82 HA2 GLY 82 15.627 13.262 -16.942 488 HA3 GLY 82 HA3 GLY 82 16.575 14.604 -17.593 489 H GLU 83 H GLU 83 18.714 14.695 -15.752 490 HA GLU 83 HA GLU 83 20.411 12.619 -16.714 491 HB2 GLU 83 HB2 GLU 83 21.947 14.038 -16.085 492 HB3 GLU 83 HB3 GLU 83 20.712 15.079 -15.399 493 HG2 GLU 83 HG2 GLU 83 20.994 14.063 -13.204 494 HG3 GLU 83 HG3 GLU 83 22.158 12.901 -13.854 495 H LEU 84 H LEU 84 18.669 12.955 -13.621 496 HA LEU 84 HA LEU 84 19.681 10.493 -12.546 497 HB2 LEU 84 HB2 LEU 84 18.872 12.439 -11.232 498 HB3 LEU 84 HB3 LEU 84 17.229 12.136 -11.809 499 HG LEU 84 HG LEU 84 17.220 9.929 -10.666 500 HD11 LEU 84 HD11 LEU 84 19.037 9.426 -9.011 501 HD12 LEU 84 HD12 LEU 84 19.601 9.318 -10.675 502 HD13 LEU 84 HD13 LEU 84 20.004 10.751 -9.701 503 HD21 LEU 84 HD21 LEU 84 18.083 12.286 -8.960 504 HD22 LEU 84 HD22 LEU 84 16.427 11.894 -9.504 505 HD23 LEU 84 HD23 LEU 84 17.271 10.810 -8.380 506 H LEU 85 H LEU 85 16.718 11.267 -14.351 507 HA LEU 85 HA LEU 85 15.570 8.602 -14.288 508 HB2 LEU 85 HB2 LEU 85 15.283 11.035 -16.100 509 HB3 LEU 85 HB3 LEU 85 14.497 9.542 -16.512 510 HG LEU 85 HG LEU 85 14.053 10.724 -13.784 511 HD11 LEU 85 HD11 LEU 85 12.482 11.248 -16.337 512 HD12 LEU 85 HD12 LEU 85 12.019 11.770 -14.696 513 HD13 LEU 85 HD13 LEU 85 13.465 12.440 -15.469 514 HD21 LEU 85 HD21 LEU 85 12.355 8.904 -15.543 515 HD22 LEU 85 HD22 LEU 85 13.329 8.366 -14.157 516 HD23 LEU 85 HD23 LEU 85 11.958 9.460 -13.906 517 H GLY 86 H GLY 86 18.129 10.092 -16.235 518 HA2 GLY 86 HA2 GLY 86 19.748 9.095 -17.575 519 HA3 GLY 86 HA3 GLY 86 18.998 7.508 -17.351 520 H ARG 87 H ARG 87 16.931 10.082 -18.277 521 HA ARG 87 HA ARG 87 16.821 9.643 -21.172 522 HB2 ARG 87 HB2 ARG 87 14.554 8.690 -21.174 523 HB3 ARG 87 HB3 ARG 87 15.724 7.603 -20.420 524 HG2 ARG 87 HG2 ARG 87 15.010 8.421 -18.191 525 HG3 ARG 87 HG3 ARG 87 13.732 9.385 -18.944 526 HD2 ARG 87 HD2 ARG 87 14.041 6.363 -18.949 527 HD3 ARG 87 HD3 ARG 87 12.926 7.336 -17.971 528 HE ARG 87 HE ARG 87 11.944 8.138 -20.190 529 HH11 ARG 87 HH11 ARG 87 13.234 4.867 -20.014 530 HH12 ARG 87 HH12 ARG 87 12.235 4.341 -21.341 531 HH21 ARG 87 HH21 ARG 87 10.801 7.451 -21.813 532 HH22 ARG 87 HH22 ARG 87 10.858 5.783 -22.351 533 H GLN 88 H GLN 88 15.649 11.085 -22.194 534 HA GLN 88 HA GLN 88 15.119 13.627 -20.836 535 HB2 GLN 88 HB2 GLN 88 14.781 14.485 -23.041 536 HB3 GLN 88 HB3 GLN 88 16.213 13.447 -23.040 537 HG2 GLN 88 HG2 GLN 88 14.810 11.623 -24.088 538 HG3 GLN 88 HG3 GLN 88 13.462 12.763 -24.170 539 HE21 GLN 88 HE22 GLN 88 13.810 14.791 -25.531 540 HE22 GLN 88 HE21 GLN 88 14.920 14.652 -26.884 541 H SER 89 H SER 89 13.101 10.925 -21.634 542 HA SER 89 HA SER 89 10.757 12.549 -20.807 543 HB2 SER 89 HB2 SER 89 9.461 12.030 -22.865 544 HB3 SER 89 HB3 SER 89 10.902 13.002 -23.190 545 HG SER 89 HG SER 89 10.617 11.206 -24.673 546 H PHE 90 H PHE 90 8.851 11.698 -20.398 547 HA PHE 90 HA PHE 90 8.110 8.914 -20.483 548 HB2 PHE 90 HB2 PHE 90 7.996 8.476 -18.122 549 HB3 PHE 90 HB3 PHE 90 9.653 8.848 -18.534 550 HD1 PHE 90 HD2 PHE 90 10.569 11.192 -18.020 551 HD2 PHE 90 HD1 PHE 90 6.813 9.747 -16.464 552 HE1 PHE 90 HE2 PHE 90 10.579 12.994 -16.348 553 HE2 PHE 90 HE1 PHE 90 6.846 11.523 -14.747 554 HZ PHE 90 HZ PHE 90 8.729 13.157 -14.660 555 H SER 91 H SER 91 5.892 8.843 -19.000 556 HA SER 91 HA SER 91 4.470 11.470 -19.186 557 HB2 SER 91 HB2 SER 91 3.941 10.359 -21.256 558 HB3 SER 91 HB3 SER 91 3.588 8.838 -20.416 559 HG SER 91 HG SER 91 1.715 10.146 -21.007 560 H VAL 92 H VAL 92 2.624 11.685 -17.728 561 HA VAL 92 HA VAL 92 2.675 10.129 -15.346 562 HB VAL 92 HB VAL 92 0.945 11.379 -14.618 563 HG11 VAL 92 HG11 VAL 92 2.824 12.867 -15.368 564 HG12 VAL 92 HG12 VAL 92 1.833 13.259 -16.799 565 HG13 VAL 92 HG13 VAL 92 1.251 13.660 -15.181 566 HG21 VAL 92 HG21 VAL 92 -0.880 10.827 -16.050 567 HG22 VAL 92 HG22 VAL 92 -0.746 12.584 -16.063 568 HG23 VAL 92 HG23 VAL 92 -0.119 11.641 -17.429 569 H LYS 93 H LYS 93 1.308 9.501 -18.440 570 HA LYS 93 HA LYS 93 -0.518 7.336 -17.570 571 HB2 LYS 93 HB2 LYS 93 0.221 8.365 -20.341 572 HB3 LYS 93 HB3 LYS 93 -1.064 7.214 -19.974 573 HG2 LYS 93 HG2 LYS 93 -2.308 8.900 -18.711 574 HG3 LYS 93 HG3 LYS 93 -1.000 10.075 -18.913 575 HD2 LYS 93 HD2 LYS 93 -1.308 10.031 -21.368 576 HD3 LYS 93 HD3 LYS 93 -2.682 8.920 -21.166 577 HE2 LYS 93 HE2 LYS 93 -3.883 10.585 -19.819 578 HE3 LYS 93 HE3 LYS 93 -2.487 11.668 -19.839 579 HZ1 LYS 93 HZ1 LYS 93 -2.765 11.897 -22.252 580 HZ2 LYS 93 HZ2 LYS 93 -4.056 10.887 -22.245 581 HZ3 LYS 93 HZ3 LYS 93 -4.139 12.332 -21.490 582 H ASP 94 H ASP 94 2.776 7.595 -18.256 583 HA ASP 94 HA ASP 94 3.131 4.689 -18.219 584 HB2 ASP 94 HB2 ASP 94 3.004 5.193 -20.637 585 HB3 ASP 94 HB3 ASP 94 4.281 6.395 -20.466 586 HA PRO 95 HA PRO 95 6.004 7.485 -15.864 587 HB2 PRO 95 HB2 PRO 95 5.180 7.228 -13.331 588 HB3 PRO 95 HB3 PRO 95 4.164 8.043 -14.562 589 HG2 PRO 95 HG2 PRO 95 3.995 5.132 -13.657 590 HG3 PRO 95 HG3 PRO 95 2.673 6.345 -13.680 591 HD2 PRO 95 HD2 PRO 95 3.114 4.606 -15.761 592 HD3 PRO 95 HD3 PRO 95 2.499 6.269 -15.993 593 H SER 96 H SER 96 5.925 4.151 -16.020 594 HA SER 96 HA SER 96 7.106 2.965 -13.957 595 HB2 SER 96 HB2 SER 96 7.943 2.529 -16.843 596 HB3 SER 96 HB3 SER 96 8.138 1.375 -15.508 597 HG SER 96 HG SER 96 6.214 0.989 -16.738 598 HA PRO 97 HA PRO 97 11.667 3.950 -14.913 599 HB2 PRO 97 HB2 PRO 97 12.408 6.311 -16.087 600 HB3 PRO 97 HB3 PRO 97 12.111 4.790 -16.985 601 HG2 PRO 97 HG2 PRO 97 10.165 7.079 -16.523 602 HG3 PRO 97 HG3 PRO 97 10.573 6.275 -18.075 603 HD2 PRO 97 HD2 PRO 97 8.397 5.563 -16.750 604 HD3 PRO 97 HD3 PRO 97 9.427 4.293 -17.457 605 H LEU 98 H LEU 98 9.403 6.533 -13.871 606 HA LEU 98 HA LEU 98 11.333 7.801 -12.142 607 HB2 LEU 98 HB2 LEU 98 9.682 9.214 -11.567 608 HB3 LEU 98 HB3 LEU 98 9.088 8.667 -13.103 609 HG LEU 98 HG LEU 98 7.574 7.052 -11.747 610 HD11 LEU 98 HD11 LEU 98 6.906 7.932 -9.522 611 HD12 LEU 98 HD12 LEU 98 8.560 7.356 -9.471 612 HD13 LEU 98 HD13 LEU 98 8.254 9.090 -9.576 613 HD21 LEU 98 HD21 LEU 98 5.889 8.802 -11.507 614 HD22 LEU 98 HD22 LEU 98 7.152 10.052 -11.554 615 HD23 LEU 98 HD23 LEU 98 6.815 9.063 -12.990 616 H TYR 99 H TYR 99 8.822 5.284 -11.642 617 HA TYR 99 HA TYR 99 9.426 4.831 -8.887 618 HB2 TYR 99 HB2 TYR 99 8.142 3.061 -11.009 619 HB3 TYR 99 HB3 TYR 99 8.236 2.654 -9.304 620 HD1 TYR 99 HD1 TYR 99 6.947 3.892 -7.598 621 HD2 TYR 99 HD2 TYR 99 6.607 4.858 -11.792 622 HE1 TYR 99 HE1 TYR 99 4.874 5.183 -7.136 623 HE2 TYR 99 HE2 TYR 99 4.596 6.225 -11.310 624 HH TYR 99 HH TYR 99 3.146 6.415 -8.031 625 H ASP 100 H ASP 100 10.624 3.231 -11.879 626 HA ASP 100 HA ASP 100 12.405 1.429 -10.663 627 HB2 ASP 100 HB2 ASP 100 11.666 1.741 -13.103 628 HB3 ASP 100 HB3 ASP 100 13.000 2.869 -13.225 629 H MET 101 H MET 101 12.971 4.843 -11.519 630 HA MET 101 HA MET 101 15.700 4.733 -10.556 631 HB2 MET 101 HB2 MET 101 16.093 6.921 -11.022 632 HB3 MET 101 HB3 MET 101 15.124 6.268 -12.334 633 HG2 MET 101 HG2 MET 101 14.352 8.430 -11.950 634 HG3 MET 101 HG3 MET 101 13.138 7.342 -11.283 635 HE1 MET 101 HE1 MET 101 11.787 8.840 -9.701 636 HE2 MET 101 HE2 MET 101 12.508 10.205 -8.827 637 HE3 MET 101 HE3 MET 101 12.582 10.155 -10.604 638 H LEU 102 H LEU 102 12.677 5.172 -8.853 639 HA LEU 102 HA LEU 102 13.930 6.297 -6.473 640 HB2 LEU 102 HB2 LEU 102 11.216 4.996 -6.977 641 HB3 LEU 102 HB3 LEU 102 11.736 5.586 -5.409 642 HG LEU 102 HG LEU 102 11.612 7.383 -7.858 643 HD11 LEU 102 HD11 LEU 102 9.501 7.029 -5.682 644 HD12 LEU 102 HD12 LEU 102 9.461 8.201 -7.020 645 HD13 LEU 102 HD13 LEU 102 9.344 6.468 -7.356 646 HD21 LEU 102 HD21 LEU 102 11.549 8.010 -4.878 647 HD22 LEU 102 HD22 LEU 102 12.974 8.178 -5.907 648 HD23 LEU 102 HD23 LEU 102 11.555 9.194 -6.208 649 H ARG 103 H ARG 103 12.953 2.993 -7.695 650 HA ARG 103 HA ARG 103 13.203 1.541 -5.456 651 HB2 ARG 103 HB2 ARG 103 14.182 0.927 -8.266 652 HB3 ARG 103 HB3 ARG 103 14.083 -0.321 -7.001 653 HG2 ARG 103 HG2 ARG 103 11.559 0.456 -6.855 654 HG3 ARG 103 HG3 ARG 103 11.885 1.110 -8.467 655 HD2 ARG 103 HD2 ARG 103 12.069 -1.750 -7.604 656 HD3 ARG 103 HD3 ARG 103 10.930 -1.003 -8.729 657 HE ARG 103 HE ARG 103 12.707 -0.742 -10.381 658 HH11 ARG 103 HH11 ARG 103 13.635 -2.929 -7.775 659 HH12 ARG 103 HH12 ARG 103 14.910 -3.616 -8.742 660 HH21 ARG 103 HH21 ARG 103 14.251 -1.588 -11.466 661 HH22 ARG 103 HH22 ARG 103 15.263 -2.887 -10.829 662 H LYS 104 H LYS 104 15.974 2.310 -7.491 663 HA LYS 104 HA LYS 104 17.911 1.311 -5.514 664 HB2 LYS 104 HB2 LYS 104 19.506 1.965 -7.491 665 HB3 LYS 104 HB3 LYS 104 18.622 0.458 -7.439 666 HG2 LYS 104 HG2 LYS 104 18.646 1.455 -9.674 667 HG3 LYS 104 HG3 LYS 104 17.019 1.221 -9.043 668 HD2 LYS 104 HD2 LYS 104 17.224 3.279 -10.284 669 HD3 LYS 104 HD3 LYS 104 16.720 3.510 -8.611 670 HE2 LYS 104 HE2 LYS 104 18.086 5.331 -9.339 671 HE3 LYS 104 HE3 LYS 104 18.847 4.472 -8.001 672 HZ1 LYS 104 HZ1 LYS 104 20.463 4.965 -9.803 673 HZ2 LYS 104 HZ2 LYS 104 20.317 3.350 -9.657 674 HZ3 LYS 104 HZ3 LYS 104 19.584 4.131 -10.891 675 H ASN 105 H ASN 105 16.536 4.397 -6.128 676 HA ASN 105 HA ASN 105 18.949 5.874 -5.184 677 HB2 ASN 105 HB2 ASN 105 17.280 6.762 -6.869 678 HB3 ASN 105 HB3 ASN 105 16.180 6.996 -5.492 679 HD21 ASN 105 HD22 ASN 105 19.270 7.764 -6.995 680 HD22 ASN 105 HD21 ASN 105 19.732 9.003 -5.858 681 H LEU 106 H LEU 106 15.654 4.997 -4.093 682 HA LEU 106 HA LEU 106 16.717 4.532 -1.386 683 HB2 LEU 106 HB2 LEU 106 15.198 5.885 -0.241 684 HB3 LEU 106 HB3 LEU 106 16.085 6.873 -1.383 685 HG LEU 106 HG LEU 106 13.231 5.961 -1.955 686 HD11 LEU 106 HD11 LEU 106 12.495 8.104 -1.035 687 HD12 LEU 106 HD12 LEU 106 13.298 7.157 0.217 688 HD13 LEU 106 HD13 LEU 106 14.165 8.496 -0.553 689 HD21 LEU 106 HD21 LEU 106 15.008 8.194 -3.019 690 HD22 LEU 106 HD22 LEU 106 14.281 6.842 -3.924 691 HD23 LEU 106 HD23 LEU 106 13.255 8.125 -3.275 692 H VAL 107 H VAL 107 15.699 3.080 -0.109 693 HA VAL 107 HA VAL 107 13.818 1.280 -1.391 694 HB VAL 107 HB VAL 107 14.927 1.237 1.437 695 HG11 VAL 107 HG11 VAL 107 14.410 -1.205 1.373 696 HG12 VAL 107 HG12 VAL 107 12.956 -0.215 1.330 697 HG13 VAL 107 HG13 VAL 107 13.556 -0.967 -0.167 698 HG21 VAL 107 HG21 VAL 107 16.487 -0.490 0.548 699 HG22 VAL 107 HG22 VAL 107 15.846 -0.215 -1.087 700 HG23 VAL 107 HG23 VAL 107 16.737 1.066 -0.239 701 H THR 108 H THR 108 13.480 3.856 0.684 702 HA THR 108 HA THR 108 11.669 4.858 1.851 703 HB THR 108 HB THR 108 11.541 5.578 -0.423 704 HG1 THR 108 HG1 THR 108 10.115 6.519 0.887 705 HG21 THR 108 HG21 THR 108 11.007 3.572 -1.701 706 HG22 THR 108 HG22 THR 108 9.415 3.468 -0.909 707 HG23 THR 108 HG23 THR 108 9.829 4.847 -1.956 708 H LEU 109 H LEU 109 8.868 4.222 1.290 709 HA LEU 109 HA LEU 109 8.244 2.610 3.542 710 HB2 LEU 109 HB2 LEU 109 6.940 4.446 2.497 711 HB3 LEU 109 HB3 LEU 109 6.462 3.323 1.216 712 HG LEU 109 HG LEU 109 5.174 1.982 2.777 713 HD11 LEU 109 HD11 LEU 109 4.954 2.635 5.191 714 HD12 LEU 109 HD12 LEU 109 6.548 1.992 4.811 715 HD13 LEU 109 HD13 LEU 109 6.325 3.750 4.992 716 HD21 LEU 109 HD21 LEU 109 4.207 4.100 1.937 717 HD22 LEU 109 HD22 LEU 109 3.567 3.653 3.532 718 HD23 LEU 109 HD23 LEU 109 4.807 4.923 3.399 719 H ALA 110 H ALA 110 9.355 1.436 0.561 720 HA ALA 110 HA ALA 110 7.547 -0.693 0.020 721 HB1 ALA 110 HB1 ALA 110 9.161 0.432 -1.592 722 HB2 ALA 110 HB2 ALA 110 10.465 -0.488 -0.817 723 HB3 ALA 110 HB3 ALA 110 9.157 -1.347 -1.647 724 H THR 111 H THR 111 7.629 -2.889 0.435 725 HA THR 111 HA THR 111 9.694 -4.032 2.229 726 HB THR 111 HB THR 111 7.963 -2.948 3.606 727 HG1 THR 111 HG1 THR 111 7.761 -4.745 4.955 728 HG21 THR 111 HG21 THR 111 5.751 -3.929 3.886 729 HG22 THR 111 HG22 THR 111 5.938 -3.347 2.229 730 HG23 THR 111 HG23 THR 111 6.047 -5.088 2.575 731 HD1 48M 200 HD1 48M 200 2.547 14.790 -13.242 732 HD2 48M 200 HD2 48M 200 3.120 13.344 -9.214 733 HD3 48M 200 HD3 48M 200 -0.595 11.817 -8.872 734 HD4 48M 200 HD4 48M 200 1.693 11.933 -12.499 735 HD5 48M 200 HD5 48M 200 -2.144 13.970 -14.059 736 HE1 48M 200 HE1 48M 200 4.818 14.023 -13.828 737 HE2 48M 200 HE2 48M 200 5.367 12.566 -9.835 738 HE3 48M 200 HE3 48M 200 -0.006 9.430 -8.565 739 HE5 48M 200 HE5 48M 200 -2.942 14.708 -16.246 740 HE6 48M 200 HE6 48M 200 0.138 17.680 -16.403 741 HZ2 48M 200 HZ2 48M 200 1.444 8.292 -10.234 742 HM21 48M 200 HM21 48M 200 3.530 15.797 -15.155 743 HM22 48M 200 HM22 48M 200 2.332 16.069 -16.426 744 HM23 48M 200 HM23 48M 200 3.808 17.037 -16.386 745 HM31 48M 200 HM31 48M 200 4.093 18.806 -14.388 746 HM32 48M 200 HM32 48M 200 2.800 18.877 -13.189 747 HM33 48M 200 HM33 48M 200 3.819 17.437 -13.290 748 HN1 48M 200 HN1 48M 200 -2.715 20.452 -12.836 749 H21 48M 200 H21 48M 200 -3.415 18.198 -12.542 750 H22 48M 200 H22 48M 200 -2.029 18.014 -13.635 751 H31 48M 200 H31 48M 200 -2.013 17.783 -10.595 752 H32 48M 200 H32 48M 200 -1.821 16.466 -11.725 753 H41 48M 200 H41 48M 200 1.018 19.557 -11.907 754 H42 48M 200 H42 48M 200 0.240 19.502 -10.310 755 H7 48M 200 H7 48M 200 -0.590 13.762 -10.062 756 H8 48M 200 H8 48M 200 1.293 14.962 -9.751 757 H9 48M 200 H9 48M 200 1.930 18.418 -15.499 Start of MODEL 9 1 H1 GLN 23 H GLN 23 6.655 14.206 12.681 2 HA GLN 23 HA GLN 23 8.417 11.822 12.664 3 HB2 GLN 23 HB2 GLN 23 5.870 12.501 14.203 4 HB3 GLN 23 HB3 GLN 23 6.539 10.873 14.204 5 HG2 GLN 23 HG2 GLN 23 8.100 13.328 15.110 6 HG3 GLN 23 HG3 GLN 23 7.185 12.277 16.183 7 HE21 GLN 23 HE22 GLN 23 9.856 12.590 16.740 8 HE22 GLN 23 HE21 GLN 23 10.709 11.105 16.333 9 H ILE 24 H ILE 24 7.977 12.250 10.275 10 HA ILE 24 HA ILE 24 5.720 10.934 9.067 11 HB ILE 24 HB ILE 24 8.475 11.833 8.246 12 HG12 ILE 24 HG12 ILE 24 5.733 12.510 7.085 13 HG13 ILE 24 HG13 ILE 24 6.452 13.371 8.449 14 HG21 ILE 24 HG21 ILE 24 6.639 10.157 6.467 15 HG22 ILE 24 HG22 ILE 24 8.021 11.096 5.870 16 HG23 ILE 24 HG23 ILE 24 8.291 9.762 6.984 17 HD11 ILE 24 HD11 ILE 24 7.520 13.287 5.605 18 HD12 ILE 24 HD12 ILE 24 6.845 14.668 6.477 19 HD13 ILE 24 HD13 ILE 24 8.403 13.988 6.987 20 H ASN 25 H ASN 25 8.905 9.753 10.018 21 HA ASN 25 HA ASN 25 9.726 7.722 10.421 22 HB2 ASN 25 HB2 ASN 25 6.827 7.007 10.703 23 HB3 ASN 25 HB3 ASN 25 8.076 5.784 10.743 24 HD21 ASN 25 HD22 ASN 25 8.150 9.077 11.883 25 HD22 ASN 25 HD21 ASN 25 8.501 8.749 13.588 26 H GLN 26 H GLN 26 10.034 8.515 7.965 27 HA GLN 26 HA GLN 26 10.089 6.085 6.331 28 HB2 GLN 26 HB2 GLN 26 8.079 7.725 5.747 29 HB3 GLN 26 HB3 GLN 26 9.344 8.453 4.751 30 HG2 GLN 26 HG2 GLN 26 8.256 6.716 3.452 31 HG3 GLN 26 HG3 GLN 26 9.826 6.100 3.835 32 HE21 GLN 26 HE22 GLN 26 9.851 3.959 4.625 33 HE22 GLN 26 HE21 GLN 26 8.464 3.220 5.404 34 H VAL 27 H VAL 27 11.379 6.960 4.077 35 HA VAL 27 HA VAL 27 14.063 7.498 5.253 36 HB VAL 27 HB VAL 27 13.177 5.844 2.841 37 HG11 VAL 27 HG11 VAL 27 15.500 4.927 2.830 38 HG12 VAL 27 HG12 VAL 27 15.446 6.613 2.363 39 HG13 VAL 27 HG13 VAL 27 15.984 6.160 4.006 40 HG21 VAL 27 HG21 VAL 27 13.934 3.902 4.183 41 HG22 VAL 27 HG22 VAL 27 14.290 4.983 5.548 42 HG23 VAL 27 HG23 VAL 27 12.621 4.752 4.987 43 H ARG 28 H ARG 28 15.702 8.533 4.111 44 HA ARG 28 HA ARG 28 14.764 10.644 2.291 45 HB2 ARG 28 HB2 ARG 28 16.768 11.820 2.828 46 HB3 ARG 28 HB3 ARG 28 15.899 11.357 4.288 47 HG2 ARG 28 HG2 ARG 28 17.539 9.554 4.708 48 HG3 ARG 28 HG3 ARG 28 18.432 10.031 3.244 49 HD2 ARG 28 HD2 ARG 28 18.786 12.283 4.163 50 HD3 ARG 28 HD3 ARG 28 17.855 11.859 5.614 51 HE ARG 28 HE ARG 28 19.921 9.955 5.398 52 HH11 ARG 28 HH11 ARG 28 19.735 13.430 5.927 53 HH12 ARG 28 HH12 ARG 28 21.189 13.443 6.885 54 HH21 ARG 28 HH21 ARG 28 21.774 10.059 6.620 55 HH22 ARG 28 HH22 ARG 28 22.318 11.582 7.258 56 HA PRO 29 HA PRO 29 16.979 8.700 -1.147 57 HB2 PRO 29 HB2 PRO 29 16.665 10.644 -3.033 58 HB3 PRO 29 HB3 PRO 29 15.320 9.596 -2.496 59 HG2 PRO 29 HG2 PRO 29 15.945 12.422 -1.609 60 HG3 PRO 29 HG3 PRO 29 14.368 11.725 -2.065 61 HD2 PRO 29 HD2 PRO 29 15.250 11.973 0.545 62 HD3 PRO 29 HD3 PRO 29 14.110 10.698 0.012 63 H LYS 30 H LYS 30 18.913 9.232 -2.486 64 HA LYS 30 HA LYS 30 21.042 10.388 -0.956 65 HB2 LYS 30 HB2 LYS 30 20.755 8.841 -3.349 66 HB3 LYS 30 HB3 LYS 30 21.700 10.228 -3.807 67 HG2 LYS 30 HG2 LYS 30 22.354 8.305 -1.533 68 HG3 LYS 30 HG3 LYS 30 23.046 8.273 -3.158 69 HD2 LYS 30 HD2 LYS 30 23.861 10.671 -2.729 70 HD3 LYS 30 HD3 LYS 30 23.462 10.409 -1.021 71 HE2 LYS 30 HE2 LYS 30 25.407 8.771 -2.708 72 HE3 LYS 30 HE3 LYS 30 25.853 10.062 -1.593 73 HZ1 LYS 30 HZ1 LYS 30 24.539 7.508 -0.791 74 HZ2 LYS 30 HZ2 LYS 30 26.097 7.901 -0.533 75 HZ3 LYS 30 HZ3 LYS 30 24.924 8.724 0.239 76 H LEU 31 H LEU 31 22.427 12.144 -1.525 77 HA LEU 31 HA LEU 31 21.195 14.584 -1.495 78 HB2 LEU 31 HB2 LEU 31 23.404 14.138 -0.655 79 HB3 LEU 31 HB3 LEU 31 24.034 13.826 -2.266 80 HG LEU 31 HG LEU 31 23.689 16.187 -2.878 81 HD11 LEU 31 HD11 LEU 31 22.819 16.526 0.028 82 HD12 LEU 31 HD12 LEU 31 23.213 17.859 -1.075 83 HD13 LEU 31 HD13 LEU 31 21.819 16.826 -1.412 84 HD21 LEU 31 HD21 LEU 31 25.482 17.119 -1.473 85 HD22 LEU 31 HD22 LEU 31 25.252 15.810 -0.292 86 HD23 LEU 31 HD23 LEU 31 25.840 15.446 -1.930 87 HA PRO 32 HA PRO 32 21.874 15.665 -6.140 88 HB2 PRO 32 HB2 PRO 32 22.152 13.590 -7.959 89 HB3 PRO 32 HB3 PRO 32 23.503 14.527 -7.246 90 HG2 PRO 32 HG2 PRO 32 22.422 11.835 -6.371 91 HG3 PRO 32 HG3 PRO 32 24.129 12.330 -6.580 92 HD2 PRO 32 HD2 PRO 32 22.994 12.286 -4.153 93 HD3 PRO 32 HD3 PRO 32 24.094 13.618 -4.603 94 H LEU 33 H LEU 33 20.111 12.746 -5.186 95 HA LEU 33 HA LEU 33 17.944 13.152 -7.131 96 HB2 LEU 33 HB2 LEU 33 18.250 11.344 -4.677 97 HB3 LEU 33 HB3 LEU 33 16.800 11.403 -5.642 98 HG LEU 33 HG LEU 33 18.179 9.440 -6.069 99 HD11 LEU 33 HD11 LEU 33 18.079 9.481 -8.498 100 HD12 LEU 33 HD12 LEU 33 16.663 10.269 -7.789 101 HD13 LEU 33 HD13 LEU 33 17.984 11.254 -8.487 102 HD21 LEU 33 HD21 LEU 33 20.216 11.251 -7.412 103 HD22 LEU 33 HD22 LEU 33 20.450 10.418 -5.847 104 HD23 LEU 33 HD23 LEU 33 20.229 9.487 -7.334 105 H LEU 34 H LEU 34 18.372 13.533 -3.602 106 HA LEU 34 HA LEU 34 15.937 14.797 -2.936 107 HB2 LEU 34 HB2 LEU 34 17.696 13.853 -1.383 108 HB3 LEU 34 HB3 LEU 34 18.757 15.184 -1.807 109 HG LEU 34 HG LEU 34 17.165 16.797 -0.775 110 HD11 LEU 34 HD11 LEU 34 15.646 14.276 0.045 111 HD12 LEU 34 HD12 LEU 34 15.373 15.893 0.711 112 HD13 LEU 34 HD13 LEU 34 15.033 15.592 -0.993 113 HD21 LEU 34 HD21 LEU 34 17.631 16.152 1.540 114 HD22 LEU 34 HD22 LEU 34 17.969 14.481 1.035 115 HD23 LEU 34 HD23 LEU 34 19.031 15.810 0.516 116 H LYS 35 H LYS 35 18.932 16.256 -4.273 117 HA LYS 35 HA LYS 35 18.325 18.946 -4.115 118 HB2 LYS 35 HB2 LYS 35 20.293 17.469 -5.353 119 HB3 LYS 35 HB3 LYS 35 19.378 17.966 -6.766 120 HG2 LYS 35 HG2 LYS 35 20.992 19.673 -6.477 121 HG3 LYS 35 HG3 LYS 35 19.509 20.361 -5.826 122 HD2 LYS 35 HD2 LYS 35 21.108 20.908 -4.171 123 HD3 LYS 35 HD3 LYS 35 20.321 19.475 -3.512 124 HE2 LYS 35 HE2 LYS 35 22.611 19.166 -3.110 125 HE3 LYS 35 HE3 LYS 35 22.213 18.068 -4.431 126 HZ1 LYS 35 HZ1 LYS 35 23.202 19.721 -5.979 127 HZ2 LYS 35 HZ2 LYS 35 23.522 20.739 -4.740 128 HZ3 LYS 35 HZ3 LYS 35 24.293 19.310 -4.841 129 H ILE 36 H ILE 36 16.862 16.683 -6.421 130 HA ILE 36 HA ILE 36 15.492 18.615 -8.100 131 HB ILE 36 HB ILE 36 14.748 15.748 -7.471 132 HG12 ILE 36 HG12 ILE 36 16.954 15.679 -8.230 133 HG13 ILE 36 HG13 ILE 36 15.964 15.366 -9.657 134 HG21 ILE 36 HG21 ILE 36 13.974 17.643 -9.733 135 HG22 ILE 36 HG22 ILE 36 13.639 15.896 -9.683 136 HG23 ILE 36 HG23 ILE 36 12.911 16.960 -8.480 137 HD11 ILE 36 HD11 ILE 36 16.315 17.722 -10.353 138 HD12 ILE 36 HD12 ILE 36 17.451 17.903 -8.989 139 HD13 ILE 36 HD13 ILE 36 17.799 16.726 -10.243 140 H LEU 37 H LEU 37 14.522 16.661 -5.272 141 HA LEU 37 HA LEU 37 11.813 17.550 -4.980 142 HB2 LEU 37 HB2 LEU 37 13.827 16.289 -3.053 143 HB3 LEU 37 HB3 LEU 37 12.180 16.656 -2.592 144 HG LEU 37 HG LEU 37 11.276 15.050 -4.110 145 HD11 LEU 37 HD11 LEU 37 12.637 13.457 -5.389 146 HD12 LEU 37 HD12 LEU 37 12.779 15.086 -6.033 147 HD13 LEU 37 HD13 LEU 37 14.090 14.404 -5.026 148 HD21 LEU 37 HD21 LEU 37 12.006 14.294 -1.914 149 HD22 LEU 37 HD22 LEU 37 12.256 13.009 -3.112 150 HD23 LEU 37 HD23 LEU 37 13.637 13.969 -2.545 151 H HIS 38 H HIS 38 14.846 18.614 -3.419 152 HA HIS 38 HA HIS 38 13.645 20.748 -1.861 153 HB2 HIS 38 HB2 HIS 38 16.456 19.897 -2.589 154 HB3 HIS 38 HB3 HIS 38 16.155 21.417 -1.741 155 HD2 HIS 38 HD2 HIS 38 13.695 18.811 -0.649 156 HE1 HIS 38 HE1 HIS 38 16.676 18.910 2.393 157 HE2 HIS 38 HE2 HIS 38 14.324 18.103 1.808 158 H ALA 39 H ALA 39 15.201 20.726 -5.093 159 HA ALA 39 HA ALA 39 15.109 23.528 -5.548 160 HB1 ALA 39 HB1 ALA 39 16.444 22.041 -6.926 161 HB2 ALA 39 HB2 ALA 39 15.018 21.117 -7.421 162 HB3 ALA 39 HB3 ALA 39 15.223 22.808 -7.953 163 H ALA 40 H ALA 40 12.572 21.081 -5.602 164 HA ALA 40 HA ALA 40 10.632 22.953 -6.715 165 HB1 ALA 40 HB1 ALA 40 10.768 20.313 -6.903 166 HB2 ALA 40 HB2 ALA 40 9.844 20.366 -5.402 167 HB3 ALA 40 HB3 ALA 40 9.216 21.171 -6.869 168 H GLY 41 H GLY 41 11.792 22.190 -3.486 169 HA2 GLY 41 HA2 GLY 41 11.179 23.280 -1.493 170 HA3 GLY 41 HA3 GLY 41 9.670 23.830 -2.211 171 H ALA 42 H ALA 42 11.360 20.885 -1.106 172 HA ALA 42 HA ALA 42 8.902 19.387 -0.604 173 HB1 ALA 42 HB1 ALA 42 11.100 18.375 -1.346 174 HB2 ALA 42 HB2 ALA 42 11.697 18.682 0.314 175 HB3 ALA 42 HB3 ALA 42 10.316 17.609 0.032 176 H GLN 43 H GLN 43 8.544 18.370 1.568 177 HA GLN 43 HA GLN 43 8.634 20.472 3.659 178 HB2 GLN 43 HB2 GLN 43 6.468 19.498 2.632 179 HB3 GLN 43 HB3 GLN 43 6.780 18.084 3.646 180 HG2 GLN 43 HG2 GLN 43 6.743 19.593 5.663 181 HG3 GLN 43 HG3 GLN 43 6.471 20.974 4.604 182 HE21 GLN 43 HE22 GLN 43 4.623 20.858 6.466 183 HE22 GLN 43 HE21 GLN 43 3.132 20.132 5.879 184 H GLY 44 H GLY 44 10.928 18.764 3.185 185 HA2 GLY 44 HA2 GLY 44 12.037 18.304 5.619 186 HA3 GLY 44 HA3 GLY 44 11.062 16.852 5.420 187 H GLU 45 H GLU 45 13.114 15.814 5.638 188 HA GLU 45 HA GLU 45 14.499 15.400 2.998 189 HB2 GLU 45 HB2 GLU 45 15.432 14.899 5.848 190 HB3 GLU 45 HB3 GLU 45 16.260 14.277 4.415 191 HG2 GLU 45 HG2 GLU 45 16.656 16.570 3.615 192 HG3 GLU 45 HG3 GLU 45 15.785 17.223 5.003 193 H MET 46 H MET 46 12.494 13.886 5.432 194 HA MET 46 HA MET 46 12.998 11.110 4.379 195 HB2 MET 46 HB2 MET 46 12.088 12.226 7.053 196 HB3 MET 46 HB3 MET 46 11.739 10.584 6.570 197 HG2 MET 46 HG2 MET 46 13.696 10.484 7.878 198 HG3 MET 46 HG3 MET 46 14.153 10.146 6.218 199 HE1 MET 46 HE1 MET 46 13.577 13.687 8.069 200 HE2 MET 46 HE2 MET 46 14.356 12.607 9.250 201 HE3 MET 46 HE3 MET 46 15.247 13.993 8.586 202 H PHE 47 H PHE 47 11.443 10.434 2.959 203 HA PHE 47 HA PHE 47 8.575 10.835 3.622 204 HB2 PHE 47 HB2 PHE 47 8.817 11.398 0.829 205 HB3 PHE 47 HB3 PHE 47 8.118 12.353 2.115 206 HD1 PHE 47 HD2 PHE 47 11.587 11.432 0.942 207 HD2 PHE 47 HD1 PHE 47 8.887 14.547 2.221 208 HE1 PHE 47 HE2 PHE 47 13.317 13.116 0.521 209 HE2 PHE 47 HE1 PHE 47 10.634 16.250 1.764 210 HZ PHE 47 HZ PHE 47 12.850 15.548 0.868 211 H THR 48 H THR 48 7.096 9.732 2.212 212 HA THR 48 HA THR 48 7.934 7.024 1.348 213 HB THR 48 HB THR 48 5.468 6.824 0.791 214 HG1 THR 48 HG1 THR 48 5.315 9.349 2.081 215 HG21 THR 48 HG21 THR 48 6.169 7.629 3.640 216 HG22 THR 48 HG22 THR 48 4.632 6.887 3.102 217 HG23 THR 48 HG23 THR 48 6.156 6.007 2.922 218 H VAL 49 H VAL 49 7.181 6.174 -0.752 219 HA VAL 49 HA VAL 49 8.302 7.321 -3.029 220 HB VAL 49 HB VAL 49 6.111 5.261 -2.763 221 HG11 VAL 49 HG11 VAL 49 6.728 4.598 -5.096 222 HG12 VAL 49 HG12 VAL 49 5.932 6.169 -5.037 223 HG13 VAL 49 HG13 VAL 49 7.696 6.080 -5.241 224 HG21 VAL 49 HG21 VAL 49 9.097 5.050 -3.391 225 HG22 VAL 49 HG22 VAL 49 8.359 4.667 -1.825 226 HG23 VAL 49 HG23 VAL 49 7.951 3.701 -3.249 227 H LYS 50 H LYS 50 4.925 7.448 -1.825 228 HA LYS 50 HA LYS 50 3.871 8.861 -4.063 229 HB2 LYS 50 HB2 LYS 50 1.864 8.681 -2.880 230 HB3 LYS 50 HB3 LYS 50 2.779 7.232 -2.486 231 HG2 LYS 50 HG2 LYS 50 3.449 8.255 -0.349 232 HG3 LYS 50 HG3 LYS 50 2.444 9.677 -0.691 233 HD2 LYS 50 HD2 LYS 50 0.439 8.211 -0.725 234 HD3 LYS 50 HD3 LYS 50 1.477 6.800 -0.389 235 HE2 LYS 50 HE2 LYS 50 2.246 7.871 1.721 236 HE3 LYS 50 HE3 LYS 50 1.205 9.262 1.399 237 HZ1 LYS 50 HZ1 LYS 50 0.128 7.693 2.913 238 HZ2 LYS 50 HZ2 LYS 50 -0.728 7.771 1.528 239 HZ3 LYS 50 HZ3 LYS 50 0.230 6.480 1.828 240 H GLU 51 H GLU 51 5.306 9.960 -1.041 241 HA GLU 51 HA GLU 51 4.626 12.789 -1.445 242 HB2 GLU 51 HB2 GLU 51 6.551 11.346 0.396 243 HB3 GLU 51 HB3 GLU 51 6.321 13.097 0.394 244 HG2 GLU 51 HG2 GLU 51 4.007 12.872 1.047 245 HG3 GLU 51 HG3 GLU 51 4.046 11.125 0.866 246 H VAL 52 H VAL 52 7.675 10.804 -1.809 247 HA VAL 52 HA VAL 52 9.258 12.935 -2.737 248 HB VAL 52 HB VAL 52 10.658 11.300 -3.863 249 HG11 VAL 52 HG11 VAL 52 9.963 10.458 -1.024 250 HG12 VAL 52 HG12 VAL 52 11.540 10.308 -1.821 251 HG13 VAL 52 HG13 VAL 52 10.899 11.915 -1.444 252 HG21 VAL 52 HG21 VAL 52 8.932 9.170 -2.775 253 HG22 VAL 52 HG22 VAL 52 9.149 9.508 -4.513 254 HG23 VAL 52 HG23 VAL 52 10.505 8.944 -3.547 255 H MET 53 H MET 53 7.437 10.621 -4.677 256 HA MET 53 HA MET 53 8.066 11.840 -7.169 257 HB2 MET 53 HB2 MET 53 6.621 10.355 -8.190 258 HB3 MET 53 HB3 MET 53 7.262 9.510 -6.799 259 HG2 MET 53 HG2 MET 53 5.029 8.918 -6.719 260 HG3 MET 53 HG3 MET 53 5.095 10.250 -5.573 261 HE1 MET 53 HE1 MET 53 3.248 10.461 -9.812 262 HE2 MET 53 HE2 MET 53 4.957 10.113 -9.554 263 HE3 MET 53 HE3 MET 53 3.731 8.937 -9.030 264 H HIS 54 H HIS 54 5.597 12.829 -4.827 265 HA HIS 54 HA HIS 54 4.031 14.443 -6.650 266 HB2 HIS 54 HB2 HIS 54 3.225 13.771 -4.420 267 HB3 HIS 54 HB3 HIS 54 4.478 14.745 -3.654 268 HD2 HIS 54 HD2 HIS 54 4.103 17.343 -3.437 269 HE1 HIS 54 HE1 HIS 54 0.337 17.611 -5.424 270 HE2 HIS 54 HE2 HIS 54 2.054 18.885 -4.038 271 H TYR 55 H TYR 55 6.951 15.117 -4.684 272 HA TYR 55 HA TYR 55 7.143 17.864 -5.475 273 HB2 TYR 55 HB2 TYR 55 9.432 16.044 -4.744 274 HB3 TYR 55 HB3 TYR 55 9.424 17.803 -4.691 275 HD1 TYR 55 HD1 TYR 55 7.280 18.765 -3.227 276 HD2 TYR 55 HD2 TYR 55 9.329 15.030 -2.659 277 HE1 TYR 55 HE1 TYR 55 6.341 18.608 -0.928 278 HE2 TYR 55 HE2 TYR 55 8.462 14.901 -0.335 279 HH TYR 55 HH TYR 55 6.193 17.339 0.998 280 H LEU 56 H LEU 56 8.007 14.915 -7.274 281 HA LEU 56 HA LEU 56 9.589 16.322 -9.298 282 HB2 LEU 56 HB2 LEU 56 7.942 13.803 -9.707 283 HB3 LEU 56 HB3 LEU 56 9.261 14.395 -10.703 284 HG LEU 56 HG LEU 56 9.496 13.310 -7.879 285 HD11 LEU 56 HD11 LEU 56 10.395 12.132 -10.537 286 HD12 LEU 56 HD12 LEU 56 10.583 11.399 -8.924 287 HD13 LEU 56 HD13 LEU 56 8.966 11.611 -9.616 288 HD21 LEU 56 HD21 LEU 56 11.255 14.980 -8.301 289 HD22 LEU 56 HD22 LEU 56 11.917 13.344 -8.222 290 HD23 LEU 56 HD23 LEU 56 11.701 14.129 -9.800 291 H GLY 57 H GLY 57 6.143 15.332 -9.007 292 HA2 GLY 57 HA2 GLY 57 5.164 16.460 -11.404 293 HA3 GLY 57 HA3 GLY 57 4.248 16.251 -9.904 294 H GLN 58 H GLN 58 5.325 18.023 -8.138 295 HA GLN 58 HA GLN 58 4.487 20.562 -9.148 296 HB2 GLN 58 HB2 GLN 58 4.524 21.292 -7.047 297 HB3 GLN 58 HB3 GLN 58 4.631 19.577 -6.682 298 HG2 GLN 58 HG2 GLN 58 7.178 19.906 -6.546 299 HG3 GLN 58 HG3 GLN 58 6.908 21.625 -6.739 300 HE21 GLN 58 HE22 GLN 58 7.738 22.153 -4.579 301 HE22 GLN 58 HE21 GLN 58 6.964 21.565 -3.130 302 H TYR 59 H TYR 59 7.793 19.163 -8.863 303 HA TYR 59 HA TYR 59 9.242 21.503 -9.435 304 HB2 TYR 59 HB2 TYR 59 10.279 19.361 -8.726 305 HB3 TYR 59 HB3 TYR 59 9.838 18.617 -10.232 306 HD1 TYR 59 HD1 TYR 59 10.883 19.351 -12.374 307 HD2 TYR 59 HD2 TYR 59 12.247 20.785 -8.545 308 HE1 TYR 59 HE1 TYR 59 13.083 19.945 -13.385 309 HE2 TYR 59 HE2 TYR 59 14.436 21.388 -9.574 310 HH TYR 59 HH TYR 59 15.247 20.620 -12.932 311 H ILE 60 H ILE 60 7.890 18.989 -11.674 312 HA ILE 60 HA ILE 60 8.698 20.315 -14.101 313 HB ILE 60 HB ILE 60 6.379 18.414 -13.626 314 HG12 ILE 60 HG12 ILE 60 8.997 17.499 -14.825 315 HG13 ILE 60 HG13 ILE 60 8.934 17.698 -13.084 316 HG21 ILE 60 HG21 ILE 60 7.866 19.115 -16.215 317 HG22 ILE 60 HG22 ILE 60 6.619 17.860 -16.043 318 HG23 ILE 60 HG23 ILE 60 6.211 19.558 -15.802 319 HD11 ILE 60 HD11 ILE 60 6.875 16.256 -13.007 320 HD12 ILE 60 HD12 ILE 60 7.127 15.909 -14.724 321 HD13 ILE 60 HD13 ILE 60 8.362 15.447 -13.523 322 H MET 61 H MET 61 5.680 20.492 -12.158 323 HA MET 61 HA MET 61 4.230 22.164 -13.907 324 HB2 MET 61 HB2 MET 61 3.397 20.899 -11.874 325 HB3 MET 61 HB3 MET 61 4.100 22.162 -10.862 326 HG2 MET 61 HG2 MET 61 1.734 22.573 -11.172 327 HG3 MET 61 HG3 MET 61 2.656 23.841 -11.963 328 HE1 MET 61 HE1 MET 61 0.723 24.733 -13.412 329 HE2 MET 61 HE2 MET 61 2.276 24.609 -14.268 330 HE3 MET 61 HE3 MET 61 0.765 24.154 -15.094 331 H VAL 62 H VAL 62 6.543 23.120 -11.305 332 HA VAL 62 HA VAL 62 6.224 25.960 -11.912 333 HB VAL 62 HB VAL 62 6.733 25.113 -9.671 334 HG11 VAL 62 HG11 VAL 62 9.000 24.641 -8.943 335 HG12 VAL 62 HG12 VAL 62 8.462 23.437 -10.098 336 HG13 VAL 62 HG13 VAL 62 9.597 24.708 -10.610 337 HG21 VAL 62 HG21 VAL 62 7.143 27.473 -10.291 338 HG22 VAL 62 HG22 VAL 62 8.270 26.887 -9.049 339 HG23 VAL 62 HG23 VAL 62 8.818 27.044 -10.734 340 H LYS 63 H LYS 63 8.716 23.540 -12.684 341 HA LYS 63 HA LYS 63 10.319 25.381 -14.265 342 HB2 LYS 63 HB2 LYS 63 10.415 22.358 -14.081 343 HB3 LYS 63 HB3 LYS 63 11.615 23.366 -14.881 344 HG2 LYS 63 HG2 LYS 63 10.997 23.394 -11.916 345 HG3 LYS 63 HG3 LYS 63 12.383 22.667 -12.715 346 HD2 LYS 63 HD2 LYS 63 13.014 25.027 -13.505 347 HD3 LYS 63 HD3 LYS 63 11.732 25.610 -12.429 348 HE2 LYS 63 HE2 LYS 63 13.566 25.729 -11.019 349 HE3 LYS 63 HE3 LYS 63 12.871 24.160 -10.586 350 HZ1 LYS 63 HZ1 LYS 63 14.590 23.106 -12.027 351 HZ2 LYS 63 HZ2 LYS 63 15.167 24.575 -12.464 352 HZ3 LYS 63 HZ3 LYS 63 15.315 24.071 -10.926 353 H GLN 64 H GLN 64 7.420 23.852 -15.131 354 HA GLN 64 HA GLN 64 6.439 23.057 -16.906 355 HB2 GLN 64 HB2 GLN 64 6.015 24.636 -18.708 356 HB3 GLN 64 HB3 GLN 64 5.789 25.281 -17.094 357 HG2 GLN 64 HG2 GLN 64 8.494 25.844 -17.859 358 HG3 GLN 64 HG3 GLN 64 7.481 26.255 -19.228 359 HE21 GLN 64 HE22 GLN 64 7.645 26.707 -15.602 360 HE22 GLN 64 HE21 GLN 64 6.905 28.273 -15.639 361 H LEU 65 H LEU 65 8.078 21.339 -16.865 362 HA LEU 65 HA LEU 65 9.771 21.325 -19.282 363 HB2 LEU 65 HB2 LEU 65 9.891 19.396 -16.940 364 HB3 LEU 65 HB3 LEU 65 10.925 19.379 -18.352 365 HG LEU 65 HG LEU 65 10.848 21.560 -16.246 366 HD11 LEU 65 HD11 LEU 65 12.947 19.462 -16.902 367 HD12 LEU 65 HD12 LEU 65 13.076 20.738 -15.673 368 HD13 LEU 65 HD13 LEU 65 11.862 19.461 -15.491 369 HD21 LEU 65 HD21 LEU 65 11.462 22.550 -18.415 370 HD22 LEU 65 HD22 LEU 65 12.890 22.422 -17.387 371 HD23 LEU 65 HD23 LEU 65 12.641 21.247 -18.698 372 H TYR 66 H TYR 66 6.920 21.158 -19.478 373 HA TYR 66 HA TYR 66 6.590 18.385 -20.485 374 HB2 TYR 66 HB2 TYR 66 4.125 18.778 -20.187 375 HB3 TYR 66 HB3 TYR 66 5.097 18.620 -18.741 376 HD1 TYR 66 HD2 TYR 66 3.939 21.391 -21.052 377 HD2 TYR 66 HD1 TYR 66 4.595 20.036 -17.043 378 HE1 TYR 66 HE2 TYR 66 3.120 23.579 -20.217 379 HE2 TYR 66 HE1 TYR 66 3.805 22.261 -16.159 380 HH TYR 66 HH TYR 66 2.987 24.353 -16.709 381 H ASP 67 H ASP 67 4.892 18.145 -22.251 382 HA ASP 67 HA ASP 67 5.449 19.946 -24.483 383 HB2 ASP 67 HB2 ASP 67 4.892 17.387 -24.577 384 HB3 ASP 67 HB3 ASP 67 3.221 17.918 -24.453 385 H GLN 68 H GLN 68 3.963 21.128 -25.608 386 HA GLN 68 HA GLN 68 2.071 22.804 -24.177 387 HB2 GLN 68 HB2 GLN 68 2.387 22.513 -27.185 388 HB3 GLN 68 HB3 GLN 68 1.901 23.931 -26.293 389 HG2 GLN 68 HG2 GLN 68 4.024 24.673 -26.135 390 HG3 GLN 68 HG3 GLN 68 4.656 23.133 -25.588 391 HE21 GLN 68 HE22 GLN 68 4.674 21.302 -27.535 392 HE22 GLN 68 HE21 GLN 68 5.449 21.993 -28.952 393 H GLN 69 H GLN 69 1.955 20.217 -26.617 394 HA GLN 69 HA GLN 69 -0.851 20.398 -27.153 395 HB2 GLN 69 HB2 GLN 69 1.314 18.406 -27.847 396 HB3 GLN 69 HB3 GLN 69 -0.367 17.995 -28.140 397 HG2 GLN 69 HG2 GLN 69 0.592 18.910 -30.157 398 HG3 GLN 69 HG3 GLN 69 -0.701 19.946 -29.559 399 HE21 GLN 69 HE22 GLN 69 2.922 19.625 -29.323 400 HE22 GLN 69 HE21 GLN 69 3.184 21.360 -29.395 401 H GLU 70 H GLU 70 0.973 18.263 -24.944 402 HA GLU 70 HA GLU 70 -1.470 17.874 -23.373 403 HB2 GLU 70 HB2 GLU 70 -0.574 15.745 -25.131 404 HB3 GLU 70 HB3 GLU 70 -0.313 15.247 -23.458 405 HG2 GLU 70 HG2 GLU 70 -2.626 15.680 -22.882 406 HG3 GLU 70 HG3 GLU 70 -2.958 16.350 -24.465 407 H GLN 71 H GLN 71 -0.794 18.661 -21.513 408 HA GLN 71 HA GLN 71 1.860 18.936 -20.643 409 HB2 GLN 71 HB2 GLN 71 -0.822 18.945 -19.225 410 HB3 GLN 71 HB3 GLN 71 0.675 19.175 -18.337 411 HG2 GLN 71 HG2 GLN 71 -0.228 21.340 -18.819 412 HG3 GLN 71 HG3 GLN 71 1.249 21.132 -19.742 413 HE21 GLN 71 HE22 GLN 71 1.061 20.869 -22.151 414 HE22 GLN 71 HE21 GLN 71 -0.406 21.454 -22.918 415 H HIS 72 H HIS 72 -0.208 16.115 -20.365 416 HA HIS 72 HA HIS 72 0.974 14.635 -18.357 417 HB2 HIS 72 HB2 HIS 72 0.231 13.679 -21.175 418 HB3 HIS 72 HB3 HIS 72 0.385 12.650 -19.756 419 HD2 HIS 72 HD2 HIS 72 -1.787 12.133 -18.560 420 HE1 HIS 72 HE1 HIS 72 -4.199 15.336 -20.091 421 HE2 HIS 72 HE2 HIS 72 -4.227 13.219 -18.635 422 H MET 73 H MET 73 2.290 15.306 -21.617 423 HA MET 73 HA MET 73 4.448 13.314 -21.330 424 HB2 MET 73 HB2 MET 73 3.506 13.531 -23.514 425 HB3 MET 73 HB3 MET 73 3.656 15.289 -23.495 426 HG2 MET 73 HG2 MET 73 5.359 14.158 -24.911 427 HG3 MET 73 HG3 MET 73 6.010 15.223 -23.677 428 HE1 MET 73 HE1 MET 73 4.758 11.453 -23.166 429 HE2 MET 73 HE2 MET 73 5.494 11.491 -24.790 430 HE3 MET 73 HE3 MET 73 6.285 10.598 -23.470 431 H VAL 74 H VAL 74 6.237 13.714 -20.290 432 HA VAL 74 HA VAL 74 7.056 16.525 -19.652 433 HB VAL 74 HB VAL 74 7.927 13.923 -18.336 434 HG11 VAL 74 HG11 VAL 74 9.566 15.777 -18.129 435 HG12 VAL 74 HG12 VAL 74 8.286 16.849 -17.533 436 HG13 VAL 74 HG13 VAL 74 8.793 15.440 -16.582 437 HG21 VAL 74 HG21 VAL 74 5.541 14.301 -17.878 438 HG22 VAL 74 HG22 VAL 74 6.487 14.660 -16.448 439 HG23 VAL 74 HG23 VAL 74 5.863 15.994 -17.447 440 H TYR 75 H TYR 75 8.914 17.239 -20.598 441 HA TYR 75 HA TYR 75 10.847 15.373 -21.936 442 HB2 TYR 75 HB2 TYR 75 9.800 18.092 -22.823 443 HB3 TYR 75 HB3 TYR 75 11.296 17.390 -23.431 444 HD1 TYR 75 HD2 TYR 75 11.014 14.746 -24.051 445 HD2 TYR 75 HD1 TYR 75 7.968 17.793 -24.322 446 HE1 TYR 75 HE2 TYR 75 9.818 13.380 -25.691 447 HE2 TYR 75 HE1 TYR 75 6.802 16.449 -26.071 448 HH TYR 75 HH TYR 75 8.015 13.251 -27.159 449 H CYS 76 H CYS 76 12.147 15.271 -20.124 450 HA CYS 76 HA CYS 76 12.967 17.487 -18.490 451 HB2 CYS 76 HB2 CYS 76 14.116 14.686 -18.807 452 HB3 CYS 76 HB3 CYS 76 14.488 15.836 -17.503 453 HG CYS 76 HG CYS 76 12.874 13.916 -16.662 454 H GLY 77 H GLY 77 14.304 16.164 -21.471 455 HA2 GLY 77 HA2 GLY 77 16.229 16.684 -22.680 456 HA3 GLY 77 HA3 GLY 77 16.040 18.297 -21.997 457 H GLY 78 H GLY 78 17.969 18.939 -21.285 458 HA2 GLY 78 HA2 GLY 78 19.906 17.138 -19.964 459 HA3 GLY 78 HA3 GLY 78 20.165 18.805 -20.465 460 H ASP 79 H ASP 79 17.229 18.433 -18.606 461 HA ASP 79 HA ASP 79 18.239 20.181 -16.584 462 HB2 ASP 79 HB2 ASP 79 15.833 19.956 -17.376 463 HB3 ASP 79 HB3 ASP 79 15.721 18.490 -16.406 464 H LEU 80 H LEU 80 18.267 19.874 -14.278 465 HA LEU 80 HA LEU 80 19.723 17.715 -13.202 466 HB2 LEU 80 HB2 LEU 80 18.777 20.174 -12.318 467 HB3 LEU 80 HB3 LEU 80 17.691 19.068 -11.490 468 HG LEU 80 HG LEU 80 19.724 17.926 -10.486 469 HD11 LEU 80 HD11 LEU 80 21.436 18.494 -12.177 470 HD12 LEU 80 HD12 LEU 80 21.236 20.221 -11.822 471 HD13 LEU 80 HD13 LEU 80 21.903 19.118 -10.598 472 HD21 LEU 80 HD21 LEU 80 18.536 19.826 -9.316 473 HD22 LEU 80 HD22 LEU 80 20.258 19.727 -8.915 474 HD23 LEU 80 HD23 LEU 80 19.675 20.953 -10.062 475 H LEU 81 H LEU 81 16.120 18.247 -13.103 476 HA LEU 81 HA LEU 81 15.394 15.864 -11.984 477 HB2 LEU 81 HB2 LEU 81 13.774 17.579 -12.523 478 HB3 LEU 81 HB3 LEU 81 14.129 17.462 -14.245 479 HG LEU 81 HG LEU 81 13.126 15.121 -14.231 480 HD11 LEU 81 HD11 LEU 81 11.628 14.526 -12.405 481 HD12 LEU 81 HD12 LEU 81 13.271 14.715 -11.774 482 HD13 LEU 81 HD13 LEU 81 12.066 16.003 -11.517 483 HD21 LEU 81 HD21 LEU 81 10.833 15.903 -14.257 484 HD22 LEU 81 HD22 LEU 81 11.309 17.394 -13.410 485 HD23 LEU 81 HD23 LEU 81 11.897 17.067 -15.057 486 H GLY 82 H GLY 82 16.219 16.387 -15.431 487 HA2 GLY 82 HA2 GLY 82 15.597 13.731 -16.396 488 HA3 GLY 82 HA3 GLY 82 16.637 14.939 -17.181 489 H GLU 83 H GLU 83 18.521 15.228 -14.939 490 HA GLU 83 HA GLU 83 20.237 12.939 -15.308 491 HB2 GLU 83 HB2 GLU 83 21.697 14.467 -14.744 492 HB3 GLU 83 HB3 GLU 83 20.436 15.601 -14.269 493 HG2 GLU 83 HG2 GLU 83 20.394 14.677 -12.013 494 HG3 GLU 83 HG3 GLU 83 21.653 13.508 -12.434 495 H LEU 84 H LEU 84 18.007 13.883 -12.600 496 HA LEU 84 HA LEU 84 18.549 11.637 -10.959 497 HB2 LEU 84 HB2 LEU 84 17.356 13.263 -9.934 498 HB3 LEU 84 HB3 LEU 84 16.354 13.649 -11.303 499 HG LEU 84 HG LEU 84 15.908 11.084 -9.739 500 HD11 LEU 84 HD11 LEU 84 14.320 12.252 -8.371 501 HD12 LEU 84 HD12 LEU 84 15.844 13.151 -8.279 502 HD13 LEU 84 HD13 LEU 84 14.529 13.739 -9.324 503 HD21 LEU 84 HD21 LEU 84 14.300 12.647 -11.764 504 HD22 LEU 84 HD22 LEU 84 14.529 10.891 -11.602 505 HD23 LEU 84 HD23 LEU 84 13.460 11.743 -10.502 506 H LEU 85 H LEU 85 16.316 12.023 -13.688 507 HA LEU 85 HA LEU 85 15.322 9.307 -13.491 508 HB2 LEU 85 HB2 LEU 85 14.726 11.741 -14.992 509 HB3 LEU 85 HB3 LEU 85 14.777 10.386 -16.088 510 HG LEU 85 HG LEU 85 13.195 10.290 -13.488 511 HD11 LEU 85 HD11 LEU 85 11.239 10.879 -14.872 512 HD12 LEU 85 HD12 LEU 85 12.416 12.196 -14.789 513 HD13 LEU 85 HD13 LEU 85 12.321 11.187 -16.254 514 HD21 LEU 85 HD21 LEU 85 12.967 8.738 -16.100 515 HD22 LEU 85 HD22 LEU 85 13.616 8.100 -14.573 516 HD23 LEU 85 HD23 LEU 85 11.913 8.562 -14.684 517 H GLY 86 H GLY 86 18.027 10.676 -15.266 518 HA2 GLY 86 HA2 GLY 86 19.586 9.737 -16.687 519 HA3 GLY 86 HA3 GLY 86 19.025 8.117 -16.229 520 H ARG 87 H ARG 87 16.857 10.597 -17.446 521 HA ARG 87 HA ARG 87 16.439 9.339 -20.100 522 HB2 ARG 87 HB2 ARG 87 15.182 8.187 -18.028 523 HB3 ARG 87 HB3 ARG 87 14.109 9.586 -18.180 524 HG2 ARG 87 HG2 ARG 87 13.597 8.960 -20.490 525 HG3 ARG 87 HG3 ARG 87 14.732 7.594 -20.392 526 HD2 ARG 87 HD2 ARG 87 13.402 6.541 -18.626 527 HD3 ARG 87 HD3 ARG 87 12.379 7.968 -18.488 528 HE ARG 87 HE ARG 87 11.320 7.519 -20.524 529 HH11 ARG 87 HH11 ARG 87 13.591 4.914 -19.852 530 HH12 ARG 87 HH12 ARG 87 12.824 3.837 -20.985 531 HH21 ARG 87 HH21 ARG 87 10.401 6.088 -21.936 532 HH22 ARG 87 HH22 ARG 87 11.065 4.493 -22.140 533 H GLN 88 H GLN 88 15.482 10.723 -21.556 534 HA GLN 88 HA GLN 88 15.034 13.551 -20.795 535 HB2 GLN 88 HB2 GLN 88 14.782 11.975 -23.409 536 HB3 GLN 88 HB3 GLN 88 14.312 13.667 -23.243 537 HG2 GLN 88 HG2 GLN 88 16.644 14.172 -22.408 538 HG3 GLN 88 HG3 GLN 88 17.083 12.510 -22.834 539 HE21 GLN 88 HE22 GLN 88 15.170 15.185 -24.463 540 HE22 GLN 88 HE21 GLN 88 16.083 15.071 -25.960 541 H SER 89 H SER 89 12.929 10.726 -21.135 542 HA SER 89 HA SER 89 10.637 12.538 -20.677 543 HB2 SER 89 HB2 SER 89 9.431 11.833 -22.731 544 HB3 SER 89 HB3 SER 89 10.920 12.718 -23.080 545 HG SER 89 HG SER 89 10.694 10.823 -24.397 546 H PHE 90 H PHE 90 8.674 11.706 -20.301 547 HA PHE 90 HA PHE 90 7.884 8.932 -20.182 548 HB2 PHE 90 HB2 PHE 90 7.643 8.746 -17.785 549 HB3 PHE 90 HB3 PHE 90 9.333 9.005 -18.170 550 HD1 PHE 90 HD1 PHE 90 10.424 11.230 -17.723 551 HD2 PHE 90 HD2 PHE 90 6.383 10.353 -16.476 552 HE1 PHE 90 HE1 PHE 90 10.481 13.162 -16.217 553 HE2 PHE 90 HE2 PHE 90 6.430 12.288 -14.948 554 HZ PHE 90 HZ PHE 90 8.538 13.633 -14.705 555 H SER 91 H SER 91 5.540 9.013 -18.935 556 HA SER 91 HA SER 91 4.459 11.751 -19.020 557 HB2 SER 91 HB2 SER 91 2.396 11.031 -20.062 558 HB3 SER 91 HB3 SER 91 3.765 10.600 -21.118 559 HG SER 91 HG SER 91 2.511 8.777 -20.988 560 H VAL 92 H VAL 92 2.492 12.092 -17.928 561 HA VAL 92 HA VAL 92 2.124 11.078 -15.327 562 HB VAL 92 HB VAL 92 0.295 12.369 -17.320 563 HG11 VAL 92 HG11 VAL 92 -1.312 12.882 -15.595 564 HG12 VAL 92 HG12 VAL 92 -1.220 11.149 -15.814 565 HG13 VAL 92 HG13 VAL 92 -0.417 11.897 -14.410 566 HG21 VAL 92 HG21 VAL 92 2.191 13.714 -16.381 567 HG22 VAL 92 HG22 VAL 92 0.601 14.353 -15.944 568 HG23 VAL 92 HG23 VAL 92 1.540 13.433 -14.756 569 H LYS 93 H LYS 93 1.085 9.657 -18.395 570 HA LYS 93 HA LYS 93 -0.686 7.649 -17.162 571 HB2 LYS 93 HB2 LYS 93 0.325 7.887 -20.027 572 HB3 LYS 93 HB3 LYS 93 -0.939 6.811 -19.439 573 HG2 LYS 93 HG2 LYS 93 -2.293 8.840 -18.776 574 HG3 LYS 93 HG3 LYS 93 -1.071 9.852 -19.575 575 HD2 LYS 93 HD2 LYS 93 -1.483 8.606 -21.721 576 HD3 LYS 93 HD3 LYS 93 -2.684 7.622 -20.887 577 HE2 LYS 93 HE2 LYS 93 -3.988 9.170 -22.011 578 HE3 LYS 93 HE3 LYS 93 -3.950 9.790 -20.361 579 HZ1 LYS 93 HZ1 LYS 93 -2.243 11.408 -21.111 580 HZ2 LYS 93 HZ2 LYS 93 -2.269 10.785 -22.625 581 HZ3 LYS 93 HZ3 LYS 93 -3.569 11.542 -22.040 582 H ASP 94 H ASP 94 2.674 7.914 -17.501 583 HA ASP 94 HA ASP 94 3.107 4.971 -17.286 584 HB2 ASP 94 HB2 ASP 94 3.368 5.656 -19.621 585 HB3 ASP 94 HB3 ASP 94 4.520 6.907 -19.150 586 HA PRO 95 HA PRO 95 5.486 7.311 -14.038 587 HB2 PRO 95 HB2 PRO 95 4.743 5.922 -11.843 588 HB3 PRO 95 HB3 PRO 95 3.675 7.133 -12.588 589 HG2 PRO 95 HG2 PRO 95 3.620 4.127 -12.999 590 HG3 PRO 95 HG3 PRO 95 2.249 5.211 -12.593 591 HD2 PRO 95 HD2 PRO 95 2.771 4.457 -15.158 592 HD3 PRO 95 HD3 PRO 95 2.184 6.104 -14.776 593 H SER 96 H SER 96 5.525 3.972 -15.021 594 HA SER 96 HA SER 96 7.205 2.632 -13.452 595 HB2 SER 96 HB2 SER 96 7.329 2.650 -16.485 596 HB3 SER 96 HB3 SER 96 7.951 1.367 -15.426 597 HG SER 96 HG SER 96 5.800 0.943 -16.201 598 HA PRO 97 HA PRO 97 11.369 4.168 -15.090 599 HB2 PRO 97 HB2 PRO 97 11.732 6.616 -16.235 600 HB3 PRO 97 HB3 PRO 97 11.308 5.146 -17.156 601 HG2 PRO 97 HG2 PRO 97 9.423 7.297 -16.138 602 HG3 PRO 97 HG3 PRO 97 9.534 6.609 -17.795 603 HD2 PRO 97 HD2 PRO 97 7.718 5.725 -16.027 604 HD3 PRO 97 HD3 PRO 97 8.537 4.587 -17.128 605 H LEU 98 H LEU 98 9.111 6.461 -13.502 606 HA LEU 98 HA LEU 98 11.100 7.747 -11.832 607 HB2 LEU 98 HB2 LEU 98 8.219 7.196 -11.037 608 HB3 LEU 98 HB3 LEU 98 9.266 8.511 -10.570 609 HG LEU 98 HG LEU 98 7.918 8.112 -13.236 610 HD11 LEU 98 HD11 LEU 98 6.555 10.041 -12.595 611 HD12 LEU 98 HD12 LEU 98 6.379 8.718 -11.434 612 HD13 LEU 98 HD13 LEU 98 7.388 10.128 -11.027 613 HD21 LEU 98 HD21 LEU 98 8.691 10.412 -13.768 614 HD22 LEU 98 HD22 LEU 98 9.591 10.470 -12.239 615 HD23 LEU 98 HD23 LEU 98 10.062 9.329 -13.518 616 H TYR 99 H TYR 99 8.837 5.007 -11.525 617 HA TYR 99 HA TYR 99 9.554 4.295 -8.871 618 HB2 TYR 99 HB2 TYR 99 8.338 2.623 -11.112 619 HB3 TYR 99 HB3 TYR 99 8.312 2.216 -9.408 620 HD1 TYR 99 HD1 TYR 99 7.652 5.723 -9.334 621 HD2 TYR 99 HD2 TYR 99 5.873 2.016 -10.678 622 HE1 TYR 99 HE1 TYR 99 5.409 6.621 -8.859 623 HE2 TYR 99 HE2 TYR 99 3.618 2.949 -10.223 624 HH TYR 99 HH TYR 99 2.409 4.736 -9.408 625 H ASP 100 H ASP 100 10.747 3.092 -12.017 626 HA ASP 100 HA ASP 100 12.613 1.185 -11.071 627 HB2 ASP 100 HB2 ASP 100 11.743 1.687 -13.424 628 HB3 ASP 100 HB3 ASP 100 12.981 2.917 -13.496 629 H MET 101 H MET 101 12.986 4.689 -11.588 630 HA MET 101 HA MET 101 15.789 4.581 -10.799 631 HB2 MET 101 HB2 MET 101 16.102 6.820 -11.115 632 HB3 MET 101 HB3 MET 101 15.130 6.198 -12.444 633 HG2 MET 101 HG2 MET 101 14.258 8.269 -11.921 634 HG3 MET 101 HG3 MET 101 13.124 7.086 -11.275 635 HE1 MET 101 HE1 MET 101 11.734 8.428 -9.554 636 HE2 MET 101 HE2 MET 101 12.409 9.869 -8.765 637 HE3 MET 101 HE3 MET 101 12.393 9.743 -10.543 638 H LEU 102 H LEU 102 12.829 4.943 -8.895 639 HA LEU 102 HA LEU 102 14.329 5.921 -6.563 640 HB2 LEU 102 HB2 LEU 102 11.507 4.815 -6.890 641 HB3 LEU 102 HB3 LEU 102 12.188 5.363 -5.360 642 HG LEU 102 HG LEU 102 11.748 7.088 -7.811 643 HD11 LEU 102 HD11 LEU 102 9.666 6.414 -6.720 644 HD12 LEU 102 HD12 LEU 102 10.277 6.993 -5.152 645 HD13 LEU 102 HD13 LEU 102 9.972 8.140 -6.482 646 HD21 LEU 102 HD21 LEU 102 12.196 9.011 -6.279 647 HD22 LEU 102 HD22 LEU 102 12.761 7.863 -5.049 648 HD23 LEU 102 HD23 LEU 102 13.621 8.022 -6.592 649 H ARG 103 H ARG 103 13.063 2.759 -7.776 650 HA ARG 103 HA ARG 103 13.331 1.419 -5.409 651 HB2 ARG 103 HB2 ARG 103 13.008 -0.558 -6.533 652 HB3 ARG 103 HB3 ARG 103 12.170 0.740 -7.416 653 HG2 ARG 103 HG2 ARG 103 13.873 0.728 -9.133 654 HG3 ARG 103 HG3 ARG 103 14.815 -0.515 -8.275 655 HD2 ARG 103 HD2 ARG 103 12.902 -2.060 -8.453 656 HD3 ARG 103 HD3 ARG 103 11.947 -0.803 -9.238 657 HE ARG 103 HE ARG 103 13.331 -0.925 -11.217 658 HH11 ARG 103 HH11 ARG 103 14.208 -3.531 -9.007 659 HH12 ARG 103 HH12 ARG 103 15.049 -4.377 -10.278 660 HH21 ARG 103 HH21 ARG 103 14.344 -1.943 -12.646 661 HH22 ARG 103 HH22 ARG 103 15.129 -3.500 -12.356 662 H LYS 104 H LYS 104 15.977 2.018 -7.519 663 HA LYS 104 HA LYS 104 17.916 0.616 -5.774 664 HB2 LYS 104 HB2 LYS 104 19.493 1.446 -7.704 665 HB3 LYS 104 HB3 LYS 104 18.559 -0.034 -7.783 666 HG2 LYS 104 HG2 LYS 104 18.623 1.163 -9.906 667 HG3 LYS 104 HG3 LYS 104 17.001 0.911 -9.293 668 HD2 LYS 104 HD2 LYS 104 17.114 3.026 -10.299 669 HD3 LYS 104 HD3 LYS 104 16.867 3.223 -8.557 670 HE2 LYS 104 HE2 LYS 104 18.138 4.996 -9.556 671 HE3 LYS 104 HE3 LYS 104 19.042 4.155 -8.284 672 HZ1 LYS 104 HZ1 LYS 104 20.293 2.969 -10.041 673 HZ2 LYS 104 HZ2 LYS 104 19.433 3.714 -11.218 674 HZ3 LYS 104 HZ3 LYS 104 20.429 4.577 -10.259 675 H ASN 105 H ASN 105 16.812 3.857 -6.068 676 HA ASN 105 HA ASN 105 19.390 4.867 -4.907 677 HB2 ASN 105 HB2 ASN 105 17.314 6.146 -6.604 678 HB3 ASN 105 HB3 ASN 105 17.871 7.119 -5.260 679 HD21 ASN 105 HD22 ASN 105 20.412 6.950 -4.904 680 HD22 ASN 105 HD21 ASN 105 21.346 7.014 -6.380 681 H LEU 106 H LEU 106 15.928 4.604 -4.335 682 HA LEU 106 HA LEU 106 16.186 5.610 -1.534 683 HB2 LEU 106 HB2 LEU 106 14.987 7.142 -2.903 684 HB3 LEU 106 HB3 LEU 106 14.070 5.852 -3.688 685 HG LEU 106 HG LEU 106 12.819 5.417 -1.649 686 HD11 LEU 106 HD11 LEU 106 12.952 7.013 0.266 687 HD12 LEU 106 HD12 LEU 106 14.483 6.165 0.080 688 HD13 LEU 106 HD13 LEU 106 14.322 7.835 -0.508 689 HD21 LEU 106 HD21 LEU 106 11.552 7.544 -1.549 690 HD22 LEU 106 HD22 LEU 106 12.825 8.313 -2.528 691 HD23 LEU 106 HD23 LEU 106 11.861 6.956 -3.183 692 H VAL 107 H VAL 107 15.824 4.231 -0.017 693 HA VAL 107 HA VAL 107 14.660 1.563 -0.512 694 HB VAL 107 HB VAL 107 15.753 2.762 2.059 695 HG11 VAL 107 HG11 VAL 107 15.843 0.405 2.844 696 HG12 VAL 107 HG12 VAL 107 14.187 0.943 2.583 697 HG13 VAL 107 HG13 VAL 107 14.976 -0.111 1.383 698 HG21 VAL 107 HG21 VAL 107 17.691 1.272 1.637 699 HG22 VAL 107 HG22 VAL 107 16.991 0.803 0.073 700 HG23 VAL 107 HG23 VAL 107 17.522 2.474 0.358 701 H THR 108 H THR 108 12.691 0.839 0.207 702 HA THR 108 HA THR 108 10.951 2.548 1.864 703 HB THR 108 HB THR 108 10.507 3.363 -0.370 704 HG1 THR 108 HG1 THR 108 8.248 2.993 -0.319 705 HG21 THR 108 HG21 THR 108 9.382 1.988 -2.070 706 HG22 THR 108 HG22 THR 108 10.991 1.340 -1.736 707 HG23 THR 108 HG23 THR 108 9.555 0.546 -1.053 708 H LEU 109 H LEU 109 8.727 1.331 2.002 709 HA LEU 109 HA LEU 109 9.229 -1.123 3.446 710 HB2 LEU 109 HB2 LEU 109 7.495 0.705 3.865 711 HB3 LEU 109 HB3 LEU 109 6.566 0.053 2.528 712 HG LEU 109 HG LEU 109 5.781 -0.522 4.818 713 HD11 LEU 109 HD11 LEU 109 5.182 -1.953 2.872 714 HD12 LEU 109 HD12 LEU 109 6.518 -3.043 3.309 715 HD13 LEU 109 HD13 LEU 109 5.177 -2.792 4.431 716 HD21 LEU 109 HD21 LEU 109 6.877 -2.171 6.188 717 HD22 LEU 109 HD22 LEU 109 8.183 -2.377 5.007 718 HD23 LEU 109 HD23 LEU 109 8.005 -0.838 5.887 719 H ALA 110 H ALA 110 7.661 -0.400 0.354 720 HA ALA 110 HA ALA 110 7.114 -1.524 -1.474 721 HB1 ALA 110 HB1 ALA 110 8.716 -3.119 -2.360 722 HB2 ALA 110 HB2 ALA 110 9.578 -1.839 -1.498 723 HB3 ALA 110 HB3 ALA 110 9.365 -3.431 -0.739 724 H THR 111 H THR 111 6.678 -3.850 -2.491 725 HA THR 111 HA THR 111 5.043 -5.517 -0.652 726 HB THR 111 HB THR 111 3.653 -3.685 -1.519 727 HG1 THR 111 HG1 THR 111 1.983 -5.076 -2.113 728 HG21 THR 111 HG21 THR 111 2.885 -3.641 -3.832 729 HG22 THR 111 HG22 THR 111 4.630 -3.372 -3.780 730 HG23 THR 111 HG23 THR 111 3.991 -4.957 -4.272 731 HD1 48M 200 HD1 48M 200 2.712 15.026 -13.151 732 HD2 48M 200 HD2 48M 200 3.309 13.192 -9.292 733 HD3 48M 200 HD3 48M 200 -0.416 11.179 -9.481 734 HD4 48M 200 HD4 48M 200 2.088 12.221 -12.821 735 HD5 48M 200 HD5 48M 200 -2.306 14.237 -13.764 736 HE1 48M 200 HE1 48M 200 5.020 14.402 -13.788 737 HE2 48M 200 HE2 48M 200 5.576 12.533 -9.969 738 HE3 48M 200 HE3 48M 200 0.235 8.810 -9.743 739 HE5 48M 200 HE5 48M 200 -3.273 15.174 -15.803 740 HE6 48M 200 HE6 48M 200 -0.166 18.115 -15.959 741 HZ2 48M 200 HZ2 48M 200 1.864 8.152 -11.494 742 HM21 48M 200 HM21 48M 200 3.509 17.356 -16.327 743 HM22 48M 200 HM22 48M 200 3.212 16.010 -15.218 744 HM23 48M 200 HM23 48M 200 1.964 16.500 -16.372 745 HM31 48M 200 HM31 48M 200 2.846 18.964 -12.947 746 HM32 48M 200 HM32 48M 200 3.789 17.503 -13.262 747 HM33 48M 200 HM33 48M 200 4.015 18.944 -14.275 748 HN1 48M 200 HN1 48M 200 -2.699 20.348 -9.913 749 H21 48M 200 H21 48M 200 -2.114 17.869 -9.202 750 H22 48M 200 H22 48M 200 -3.376 18.120 -10.423 751 H31 48M 200 H31 48M 200 -1.663 16.411 -11.019 752 H32 48M 200 H32 48M 200 -1.824 17.701 -12.231 753 H41 48M 200 H41 48M 200 0.584 19.579 -12.056 754 H42 48M 200 H42 48M 200 1.104 19.411 -10.366 755 H7 48M 200 H7 48M 200 -0.319 13.382 -10.076 756 H8 48M 200 H8 48M 200 1.405 14.727 -9.696 757 H9 48M 200 H9 48M 200 1.734 18.724 -15.182 Start of MODEL 10 1 H1 GLN 23 H GLN 23 5.331 14.505 13.695 2 HA GLN 23 HA GLN 23 7.569 15.386 12.105 3 HB2 GLN 23 HB2 GLN 23 7.452 13.475 14.477 4 HB3 GLN 23 HB3 GLN 23 8.943 14.114 13.763 5 HG2 GLN 23 HG2 GLN 23 8.202 16.432 14.265 6 HG3 GLN 23 HG3 GLN 23 6.756 15.800 15.055 7 HE21 GLN 23 HE22 GLN 23 8.151 17.389 16.655 8 HE22 GLN 23 HE21 GLN 23 9.114 16.466 17.803 9 H ILE 24 H ILE 24 5.653 13.592 10.860 10 HA ILE 24 HA ILE 24 5.415 12.007 9.332 11 HB ILE 24 HB ILE 24 8.142 13.123 8.720 12 HG12 ILE 24 HG12 ILE 24 5.450 13.482 7.331 13 HG13 ILE 24 HG13 ILE 24 6.041 14.543 8.614 14 HG21 ILE 24 HG21 ILE 24 7.929 12.127 6.415 15 HG22 ILE 24 HG22 ILE 24 8.186 10.930 7.674 16 HG23 ILE 24 HG23 ILE 24 6.561 11.160 6.998 17 HD11 ILE 24 HD11 ILE 24 6.481 15.633 6.547 18 HD12 ILE 24 HD12 ILE 24 8.045 15.081 7.179 19 HD13 ILE 24 HD13 ILE 24 7.244 14.200 5.850 20 H ASN 25 H ASN 25 8.623 11.193 10.593 21 HA ASN 25 HA ASN 25 9.563 9.268 11.184 22 HB2 ASN 25 HB2 ASN 25 6.726 8.289 11.430 23 HB3 ASN 25 HB3 ASN 25 8.122 7.287 11.738 24 HD21 ASN 25 HD22 ASN 25 7.923 10.727 12.428 25 HD22 ASN 25 HD21 ASN 25 7.984 10.575 14.195 26 H GLN 26 H GLN 26 9.928 9.777 8.669 27 HA GLN 26 HA GLN 26 9.971 7.194 7.258 28 HB2 GLN 26 HB2 GLN 26 8.021 8.863 6.529 29 HB3 GLN 26 HB3 GLN 26 9.319 9.466 5.493 30 HG2 GLN 26 HG2 GLN 26 8.129 7.677 4.348 31 HG3 GLN 26 HG3 GLN 26 9.703 7.066 4.721 32 HE21 GLN 26 HE22 GLN 26 9.684 4.969 5.533 33 HE22 GLN 26 HE21 GLN 26 8.379 4.324 6.522 34 H VAL 27 H VAL 27 11.301 7.819 4.976 35 HA VAL 27 HA VAL 27 13.959 8.496 6.117 36 HB VAL 27 HB VAL 27 13.373 6.126 5.440 37 HG11 VAL 27 HG11 VAL 27 12.160 6.606 3.327 38 HG12 VAL 27 HG12 VAL 27 13.682 7.164 2.595 39 HG13 VAL 27 HG13 VAL 27 13.506 5.480 3.105 40 HG21 VAL 27 HG21 VAL 27 15.799 7.177 3.957 41 HG22 VAL 27 HG22 VAL 27 15.725 6.894 5.719 42 HG23 VAL 27 HG23 VAL 27 15.507 5.554 4.585 43 H ARG 28 H ARG 28 15.666 9.318 4.732 44 HA ARG 28 HA ARG 28 14.655 11.210 2.735 45 HB2 ARG 28 HB2 ARG 28 16.579 12.456 2.991 46 HB3 ARG 28 HB3 ARG 28 15.996 12.058 4.601 47 HG2 ARG 28 HG2 ARG 28 17.806 10.396 4.858 48 HG3 ARG 28 HG3 ARG 28 18.383 10.764 3.214 49 HD2 ARG 28 HD2 ARG 28 18.713 13.134 3.852 50 HD3 ARG 28 HD3 ARG 28 18.173 12.770 5.502 51 HE ARG 28 HE ARG 28 20.282 10.999 4.975 52 HH11 ARG 28 HH11 ARG 28 19.955 14.518 5.196 53 HH12 ARG 28 HH12 ARG 28 21.620 14.698 5.688 54 HH21 ARG 28 HH21 ARG 28 22.382 11.348 5.610 55 HH22 ARG 28 HH22 ARG 28 22.947 12.963 5.917 56 HA PRO 29 HA PRO 29 16.394 8.870 -0.727 57 HB2 PRO 29 HB2 PRO 29 16.594 11.526 -2.073 58 HB3 PRO 29 HB3 PRO 29 15.734 10.052 -2.601 59 HG2 PRO 29 HG2 PRO 29 14.437 12.299 -1.647 60 HG3 PRO 29 HG3 PRO 29 13.814 10.637 -1.374 61 HD2 PRO 29 HD2 PRO 29 15.356 12.414 0.508 62 HD3 PRO 29 HD3 PRO 29 13.981 11.304 0.817 63 H LYS 30 H LYS 30 18.374 8.980 -2.141 64 HA LYS 30 HA LYS 30 20.748 9.920 -0.764 65 HB2 LYS 30 HB2 LYS 30 20.444 7.972 -2.523 66 HB3 LYS 30 HB3 LYS 30 20.722 9.249 -3.720 67 HG2 LYS 30 HG2 LYS 30 22.877 9.783 -2.414 68 HG3 LYS 30 HG3 LYS 30 22.530 8.347 -1.435 69 HD2 LYS 30 HD2 LYS 30 22.673 6.934 -3.466 70 HD3 LYS 30 HD3 LYS 30 23.025 8.390 -4.442 71 HE2 LYS 30 HE2 LYS 30 25.053 8.812 -3.067 72 HE3 LYS 30 HE3 LYS 30 24.694 7.389 -2.083 73 HZ1 LYS 30 HZ1 LYS 30 26.335 6.881 -3.797 74 HZ2 LYS 30 HZ2 LYS 30 24.990 6.010 -4.081 75 HZ3 LYS 30 HZ3 LYS 30 25.326 7.327 -4.995 76 H LEU 31 H LEU 31 22.214 11.527 -1.556 77 HA LEU 31 HA LEU 31 21.083 14.058 -1.630 78 HB2 LEU 31 HB2 LEU 31 23.869 13.246 -2.540 79 HB3 LEU 31 HB3 LEU 31 23.362 14.898 -2.209 80 HG LEU 31 HG LEU 31 23.472 12.638 -0.167 81 HD11 LEU 31 HD11 LEU 31 25.681 13.462 -0.899 82 HD12 LEU 31 HD12 LEU 31 25.192 15.128 -0.513 83 HD13 LEU 31 HD13 LEU 31 25.340 13.914 0.779 84 HD21 LEU 31 HD21 LEU 31 21.699 14.192 0.485 85 HD22 LEU 31 HD22 LEU 31 23.109 14.453 1.509 86 HD23 LEU 31 HD23 LEU 31 22.767 15.586 0.183 87 HA PRO 32 HA PRO 32 21.586 14.699 -6.376 88 HB2 PRO 32 HB2 PRO 32 21.445 12.448 -7.993 89 HB3 PRO 32 HB3 PRO 32 22.973 13.244 -7.497 90 HG2 PRO 32 HG2 PRO 32 21.603 10.853 -6.230 91 HG3 PRO 32 HG3 PRO 32 23.333 11.037 -6.669 92 HD2 PRO 32 HD2 PRO 32 22.551 11.418 -4.152 93 HD3 PRO 32 HD3 PRO 32 23.712 12.560 -4.879 94 H LEU 33 H LEU 33 19.626 12.182 -4.982 95 HA LEU 33 HA LEU 33 17.394 12.797 -6.791 96 HB2 LEU 33 HB2 LEU 33 18.219 10.503 -5.814 97 HB3 LEU 33 HB3 LEU 33 17.291 10.944 -4.380 98 HG LEU 33 HG LEU 33 16.158 10.983 -7.217 99 HD11 LEU 33 HD11 LEU 33 16.090 8.703 -5.222 100 HD12 LEU 33 HD12 LEU 33 15.176 8.798 -6.747 101 HD13 LEU 33 HD13 LEU 33 16.920 8.772 -6.823 102 HD21 LEU 33 HD21 LEU 33 13.981 10.703 -6.114 103 HD22 LEU 33 HD22 LEU 33 14.752 10.821 -4.522 104 HD23 LEU 33 HD23 LEU 33 14.746 12.204 -5.644 105 H LEU 34 H LEU 34 18.097 13.181 -3.298 106 HA LEU 34 HA LEU 34 15.783 14.705 -2.612 107 HB2 LEU 34 HB2 LEU 34 17.430 13.699 -1.037 108 HB3 LEU 34 HB3 LEU 34 18.672 14.810 -1.602 109 HG LEU 34 HG LEU 34 17.440 16.727 -0.648 110 HD11 LEU 34 HD11 LEU 34 15.533 16.267 0.915 111 HD12 LEU 34 HD12 LEU 34 15.117 15.984 -0.776 112 HD13 LEU 34 HD13 LEU 34 15.458 14.608 0.305 113 HD21 LEU 34 HD21 LEU 34 17.797 14.427 1.321 114 HD22 LEU 34 HD22 LEU 34 19.097 15.470 0.702 115 HD23 LEU 34 HD23 LEU 34 17.816 16.163 1.702 116 H LYS 35 H LYS 35 18.819 15.749 -4.240 117 HA LYS 35 HA LYS 35 18.397 18.504 -4.324 118 HB2 LYS 35 HB2 LYS 35 20.218 16.767 -5.480 119 HB3 LYS 35 HB3 LYS 35 19.273 17.202 -6.892 120 HG2 LYS 35 HG2 LYS 35 21.007 18.810 -6.822 121 HG3 LYS 35 HG3 LYS 35 19.602 19.652 -6.176 122 HD2 LYS 35 HD2 LYS 35 21.309 20.226 -4.639 123 HD3 LYS 35 HD3 LYS 35 20.455 18.916 -3.827 124 HE2 LYS 35 HE2 LYS 35 22.732 18.468 -3.483 125 HE3 LYS 35 HE3 LYS 35 22.206 17.302 -4.695 126 HZ1 LYS 35 HZ1 LYS 35 23.685 19.835 -5.264 127 HZ2 LYS 35 HZ2 LYS 35 24.344 18.347 -5.276 128 HZ3 LYS 35 HZ3 LYS 35 23.240 18.750 -6.405 129 H ILE 36 H ILE 36 16.715 16.077 -6.324 130 HA ILE 36 HA ILE 36 15.400 17.918 -8.112 131 HB ILE 36 HB ILE 36 14.455 15.205 -7.134 132 HG12 ILE 36 HG12 ILE 36 16.611 14.907 -8.051 133 HG13 ILE 36 HG13 ILE 36 15.435 14.374 -9.249 134 HG21 ILE 36 HG21 ILE 36 12.638 16.442 -8.143 135 HG22 ILE 36 HG22 ILE 36 13.638 16.862 -9.551 136 HG23 ILE 36 HG23 ILE 36 13.181 15.173 -9.231 137 HD11 ILE 36 HD11 ILE 36 17.158 15.508 -10.407 138 HD12 ILE 36 HD12 ILE 36 15.804 16.656 -10.385 139 HD13 ILE 36 HD13 ILE 36 17.174 16.859 -9.260 140 H LEU 37 H LEU 37 14.415 16.372 -5.032 141 HA LEU 37 HA LEU 37 11.789 17.498 -4.825 142 HB2 LEU 37 HB2 LEU 37 13.743 16.326 -2.789 143 HB3 LEU 37 HB3 LEU 37 12.132 16.857 -2.358 144 HG LEU 37 HG LEU 37 11.104 15.169 -3.730 145 HD11 LEU 37 HD11 LEU 37 12.660 14.826 -5.581 146 HD12 LEU 37 HD12 LEU 37 13.867 14.172 -4.429 147 HD13 LEU 37 HD13 LEU 37 12.347 13.317 -4.740 148 HD21 LEU 37 HD21 LEU 37 12.001 13.181 -2.463 149 HD22 LEU 37 HD22 LEU 37 13.308 14.235 -1.886 150 HD23 LEU 37 HD23 LEU 37 11.620 14.603 -1.470 151 H HIS 38 H HIS 38 14.936 18.521 -3.477 152 HA HIS 38 HA HIS 38 13.909 20.903 -2.168 153 HB2 HIS 38 HB2 HIS 38 16.640 19.789 -2.832 154 HB3 HIS 38 HB3 HIS 38 16.452 21.410 -2.153 155 HD2 HIS 38 HD2 HIS 38 13.865 19.069 -0.750 156 HE1 HIS 38 HE1 HIS 38 16.908 19.307 2.220 157 HE2 HIS 38 HE2 HIS 38 14.506 18.569 1.750 158 H ALA 39 H ALA 39 15.380 20.377 -5.406 159 HA ALA 39 HA ALA 39 15.386 23.088 -6.252 160 HB1 ALA 39 HB1 ALA 39 15.359 22.050 -8.531 161 HB2 ALA 39 HB2 ALA 39 16.582 21.352 -7.457 162 HB3 ALA 39 HB3 ALA 39 15.081 20.464 -7.773 163 H ALA 40 H ALA 40 12.759 20.753 -5.929 164 HA ALA 40 HA ALA 40 10.838 22.527 -7.191 165 HB1 ALA 40 HB1 ALA 40 9.359 20.789 -6.995 166 HB2 ALA 40 HB2 ALA 40 10.889 19.892 -6.995 167 HB3 ALA 40 HB3 ALA 40 10.053 20.187 -5.467 168 H GLY 41 H GLY 41 12.097 22.197 -3.924 169 HA2 GLY 41 HA2 GLY 41 11.591 23.529 -2.056 170 HA3 GLY 41 HA3 GLY 41 10.097 24.078 -2.804 171 H ALA 42 H ALA 42 11.647 21.216 -1.330 172 HA ALA 42 HA ALA 42 9.113 19.892 -0.707 173 HB1 ALA 42 HB1 ALA 42 10.428 18.109 0.069 174 HB2 ALA 42 HB2 ALA 42 11.256 18.724 -1.354 175 HB3 ALA 42 HB3 ALA 42 11.866 19.127 0.279 176 H GLN 43 H GLN 43 8.802 19.029 1.568 177 HA GLN 43 HA GLN 43 8.912 21.307 3.463 178 HB2 GLN 43 HB2 GLN 43 6.727 20.253 2.547 179 HB3 GLN 43 HB3 GLN 43 7.058 18.928 3.658 180 HG2 GLN 43 HG2 GLN 43 5.506 20.497 4.657 181 HG3 GLN 43 HG3 GLN 43 7.004 20.571 5.566 182 HE21 GLN 43 HE22 GLN 43 5.067 22.287 3.050 183 HE22 GLN 43 HE21 GLN 43 5.790 23.856 3.378 184 H GLY 44 H GLY 44 11.178 19.525 3.105 185 HA2 GLY 44 HA2 GLY 44 12.405 19.278 5.484 186 HA3 GLY 44 HA3 GLY 44 11.325 17.892 5.569 187 H GLU 45 H GLU 45 13.267 16.684 5.789 188 HA GLU 45 HA GLU 45 14.441 15.855 3.146 189 HB2 GLU 45 HB2 GLU 45 15.498 15.505 5.979 190 HB3 GLU 45 HB3 GLU 45 16.180 14.730 4.547 191 HG2 GLU 45 HG2 GLU 45 16.642 16.958 3.551 192 HG3 GLU 45 HG3 GLU 45 16.008 17.731 5.004 193 H MET 46 H MET 46 12.297 14.833 5.688 194 HA MET 46 HA MET 46 12.640 11.946 4.985 195 HB2 MET 46 HB2 MET 46 11.368 11.504 7.041 196 HB3 MET 46 HB3 MET 46 13.021 12.122 7.238 197 HG2 MET 46 HG2 MET 46 12.264 14.239 7.836 198 HG3 MET 46 HG3 MET 46 10.590 13.872 7.387 199 HE1 MET 46 HE1 MET 46 11.306 14.248 11.433 200 HE2 MET 46 HE2 MET 46 12.478 14.725 10.175 201 HE3 MET 46 HE3 MET 46 10.760 15.159 10.000 202 H PHE 47 H PHE 47 11.188 11.129 3.551 203 HA PHE 47 HA PHE 47 8.305 11.608 4.006 204 HB2 PHE 47 HB2 PHE 47 8.616 11.936 1.201 205 HB3 PHE 47 HB3 PHE 47 7.967 13.040 2.387 206 HD1 PHE 47 HD1 PHE 47 11.414 11.852 1.384 207 HD2 PHE 47 HD2 PHE 47 8.844 15.188 2.315 208 HE1 PHE 47 HE1 PHE 47 13.249 13.423 0.901 209 HE2 PHE 47 HE2 PHE 47 10.690 16.764 1.784 210 HZ PHE 47 HZ PHE 47 12.896 15.874 1.012 211 H THR 48 H THR 48 6.904 10.293 2.764 212 HA THR 48 HA THR 48 7.851 7.555 2.135 213 HB THR 48 HB THR 48 5.387 7.210 1.611 214 HG1 THR 48 HG1 THR 48 5.126 9.815 2.701 215 HG21 THR 48 HG21 THR 48 5.988 8.334 4.376 216 HG22 THR 48 HG22 THR 48 4.545 7.400 3.885 217 HG23 THR 48 HG23 THR 48 6.150 6.652 3.834 218 H VAL 49 H VAL 49 7.052 6.497 0.110 219 HA VAL 49 HA VAL 49 8.131 7.450 -2.272 220 HB VAL 49 HB VAL 49 5.942 5.437 -1.796 221 HG11 VAL 49 HG11 VAL 49 6.538 4.553 -4.050 222 HG12 VAL 49 HG12 VAL 49 5.792 6.145 -4.157 223 HG13 VAL 49 HG13 VAL 49 7.554 5.982 -4.337 224 HG21 VAL 49 HG21 VAL 49 8.930 5.153 -2.375 225 HG22 VAL 49 HG22 VAL 49 8.162 4.896 -0.796 226 HG23 VAL 49 HG23 VAL 49 7.777 3.822 -2.142 227 H LYS 50 H LYS 50 4.775 7.630 -1.037 228 HA LYS 50 HA LYS 50 3.653 8.867 -3.346 229 HB2 LYS 50 HB2 LYS 50 1.663 8.706 -2.113 230 HB3 LYS 50 HB3 LYS 50 2.623 7.289 -1.705 231 HG2 LYS 50 HG2 LYS 50 3.309 8.371 0.396 232 HG3 LYS 50 HG3 LYS 50 2.269 9.766 0.039 233 HD2 LYS 50 HD2 LYS 50 0.300 8.223 0.047 234 HD3 LYS 50 HD3 LYS 50 1.395 6.874 0.453 235 HE2 LYS 50 HE2 LYS 50 2.108 8.085 2.511 236 HE3 LYS 50 HE3 LYS 50 1.001 9.405 2.119 237 HZ1 LYS 50 HZ1 LYS 50 -0.003 7.857 3.705 238 HZ2 LYS 50 HZ2 LYS 50 -0.854 7.823 2.315 239 HZ3 LYS 50 HZ3 LYS 50 0.168 6.600 2.681 240 H GLU 51 H GLU 51 5.058 10.189 -0.395 241 HA GLU 51 HA GLU 51 4.297 12.965 -0.977 242 HB2 GLU 51 HB2 GLU 51 6.278 11.697 0.936 243 HB3 GLU 51 HB3 GLU 51 6.000 13.437 0.821 244 HG2 GLU 51 HG2 GLU 51 3.697 13.204 1.501 245 HG3 GLU 51 HG3 GLU 51 3.775 11.449 1.438 246 H VAL 52 H VAL 52 7.347 10.994 -1.341 247 HA VAL 52 HA VAL 52 8.877 13.135 -2.360 248 HB VAL 52 HB VAL 52 10.326 11.509 -3.393 249 HG11 VAL 52 HG11 VAL 52 11.254 10.646 -1.320 250 HG12 VAL 52 HG12 VAL 52 10.518 12.225 -0.989 251 HG13 VAL 52 HG13 VAL 52 9.674 10.739 -0.521 252 HG21 VAL 52 HG21 VAL 52 8.667 9.357 -2.252 253 HG22 VAL 52 HG22 VAL 52 8.886 9.654 -3.999 254 HG23 VAL 52 HG23 VAL 52 10.247 9.163 -3.011 255 H MET 53 H MET 53 7.133 10.658 -4.188 256 HA MET 53 HA MET 53 7.625 11.779 -6.722 257 HB2 MET 53 HB2 MET 53 5.983 10.418 -7.639 258 HB3 MET 53 HB3 MET 53 6.685 9.517 -6.298 259 HG2 MET 53 HG2 MET 53 4.725 10.266 -4.880 260 HG3 MET 53 HG3 MET 53 4.008 10.987 -6.318 261 HE1 MET 53 HE1 MET 53 4.822 8.674 -8.559 262 HE2 MET 53 HE2 MET 53 3.253 7.854 -8.565 263 HE3 MET 53 HE3 MET 53 3.324 9.631 -8.477 264 H HIS 54 H HIS 54 5.289 13.023 -4.352 265 HA HIS 54 HA HIS 54 3.745 14.604 -6.220 266 HB2 HIS 54 HB2 HIS 54 3.041 14.065 -3.889 267 HB3 HIS 54 HB3 HIS 54 4.305 15.133 -3.277 268 HD2 HIS 54 HD2 HIS 54 3.834 17.716 -3.230 269 HE1 HIS 54 HE1 HIS 54 0.043 17.729 -5.188 270 HE2 HIS 54 HE2 HIS 54 1.733 19.151 -3.919 271 H TYR 55 H TYR 55 6.784 15.244 -4.437 272 HA TYR 55 HA TYR 55 7.067 17.939 -5.379 273 HB2 TYR 55 HB2 TYR 55 9.273 16.029 -4.609 274 HB3 TYR 55 HB3 TYR 55 9.394 17.781 -4.713 275 HD1 TYR 55 HD1 TYR 55 7.449 19.060 -3.259 276 HD2 TYR 55 HD2 TYR 55 9.134 15.193 -2.438 277 HE1 TYR 55 HE1 TYR 55 6.574 19.183 -0.935 278 HE2 TYR 55 HE2 TYR 55 8.287 15.315 -0.105 279 HH TYR 55 HH TYR 55 6.338 18.080 1.083 280 H LEU 56 H LEU 56 7.692 14.854 -7.026 281 HA LEU 56 HA LEU 56 9.248 16.019 -9.205 282 HB2 LEU 56 HB2 LEU 56 7.372 13.643 -9.389 283 HB3 LEU 56 HB3 LEU 56 8.688 14.047 -10.473 284 HG LEU 56 HG LEU 56 9.029 13.194 -7.574 285 HD11 LEU 56 HD11 LEU 56 9.503 11.606 -10.123 286 HD12 LEU 56 HD12 LEU 56 9.632 11.037 -8.431 287 HD13 LEU 56 HD13 LEU 56 8.057 11.456 -9.108 288 HD21 LEU 56 HD21 LEU 56 10.909 14.551 -8.343 289 HD22 LEU 56 HD22 LEU 56 11.394 12.857 -8.196 290 HD23 LEU 56 HD23 LEU 56 11.060 13.547 -9.804 291 H GLY 57 H GLY 57 5.740 15.314 -8.739 292 HA2 GLY 57 HA2 GLY 57 4.757 16.379 -11.160 293 HA3 GLY 57 HA3 GLY 57 3.884 16.356 -9.618 294 H GLN 58 H GLN 58 5.206 18.109 -8.012 295 HA GLN 58 HA GLN 58 4.562 20.654 -9.158 296 HB2 GLN 58 HB2 GLN 58 4.712 21.509 -7.115 297 HB3 GLN 58 HB3 GLN 58 4.666 19.817 -6.637 298 HG2 GLN 58 HG2 GLN 58 7.222 19.899 -6.552 299 HG3 GLN 58 HG3 GLN 58 7.137 21.615 -6.888 300 HE21 GLN 58 HE22 GLN 58 8.003 22.304 -4.830 301 HE22 GLN 58 HE21 GLN 58 7.260 21.896 -3.306 302 H TYR 59 H TYR 59 7.749 18.985 -8.867 303 HA TYR 59 HA TYR 59 9.384 21.153 -9.602 304 HB2 TYR 59 HB2 TYR 59 10.272 18.995 -8.809 305 HB3 TYR 59 HB3 TYR 59 9.657 18.178 -10.206 306 HD1 TYR 59 HD2 TYR 59 10.590 18.746 -12.514 307 HD2 TYR 59 HD1 TYR 59 12.487 19.955 -8.831 308 HE1 TYR 59 HE2 TYR 59 12.782 18.839 -13.679 309 HE2 TYR 59 HE1 TYR 59 14.694 19.939 -9.981 310 HH TYR 59 HH TYR 59 15.841 19.550 -11.912 311 H ILE 60 H ILE 60 7.773 18.630 -11.631 312 HA ILE 60 HA ILE 60 8.585 19.656 -14.173 313 HB ILE 60 HB ILE 60 6.147 18.028 -13.371 314 HG12 ILE 60 HG12 ILE 60 8.608 16.850 -14.702 315 HG13 ILE 60 HG13 ILE 60 8.638 17.121 -12.970 316 HG21 ILE 60 HG21 ILE 60 7.363 18.591 -16.106 317 HG22 ILE 60 HG22 ILE 60 6.253 17.235 -15.795 318 HG23 ILE 60 HG23 ILE 60 5.707 18.891 -15.553 319 HD11 ILE 60 HD11 ILE 60 7.864 14.892 -13.283 320 HD12 ILE 60 HD12 ILE 60 6.470 15.847 -12.752 321 HD13 ILE 60 HD13 ILE 60 6.626 15.400 -14.457 322 H MET 61 H MET 61 5.648 20.292 -12.221 323 HA MET 61 HA MET 61 4.338 22.060 -14.002 324 HB2 MET 61 HB2 MET 61 3.467 20.917 -11.953 325 HB3 MET 61 HB3 MET 61 4.298 22.115 -10.962 326 HG2 MET 61 HG2 MET 61 2.179 22.734 -13.059 327 HG3 MET 61 HG3 MET 61 1.855 22.509 -11.348 328 HE1 MET 61 HE1 MET 61 2.532 26.381 -13.339 329 HE2 MET 61 HE2 MET 61 2.934 24.838 -14.130 330 HE3 MET 61 HE3 MET 61 1.300 25.106 -13.482 331 H VAL 62 H VAL 62 6.629 22.953 -11.315 332 HA VAL 62 HA VAL 62 6.621 25.741 -12.065 333 HB VAL 62 HB VAL 62 7.087 24.870 -9.785 334 HG11 VAL 62 HG11 VAL 62 8.733 23.095 -10.279 335 HG12 VAL 62 HG12 VAL 62 9.924 24.317 -10.759 336 HG13 VAL 62 HG13 VAL 62 9.325 24.245 -9.091 337 HG21 VAL 62 HG21 VAL 62 8.732 26.562 -9.207 338 HG22 VAL 62 HG22 VAL 62 9.271 26.654 -10.900 339 HG23 VAL 62 HG23 VAL 62 7.631 27.196 -10.453 340 H LYS 63 H LYS 63 8.869 23.126 -12.814 341 HA LYS 63 HA LYS 63 10.641 24.746 -14.452 342 HB2 LYS 63 HB2 LYS 63 10.242 21.741 -14.294 343 HB3 LYS 63 HB3 LYS 63 11.537 22.546 -15.184 344 HG2 LYS 63 HG2 LYS 63 11.178 22.662 -12.180 345 HG3 LYS 63 HG3 LYS 63 12.324 21.674 -13.087 346 HD2 LYS 63 HD2 LYS 63 13.235 23.948 -14.005 347 HD3 LYS 63 HD3 LYS 63 12.288 24.672 -12.690 348 HE2 LYS 63 HE2 LYS 63 14.152 24.299 -11.432 349 HE3 LYS 63 HE3 LYS 63 13.478 22.671 -11.296 350 HZ1 LYS 63 HZ1 LYS 63 14.907 22.131 -13.361 351 HZ2 LYS 63 HZ2 LYS 63 15.582 23.596 -13.201 352 HZ3 LYS 63 HZ3 LYS 63 15.780 22.504 -12.011 353 H GLN 64 H GLN 64 7.560 23.389 -15.160 354 HA GLN 64 HA GLN 64 6.353 22.819 -16.808 355 HB2 GLN 64 HB2 GLN 64 6.025 24.376 -18.679 356 HB3 GLN 64 HB3 GLN 64 5.848 25.061 -17.068 357 HG2 GLN 64 HG2 GLN 64 8.554 25.173 -18.209 358 HG3 GLN 64 HG3 GLN 64 7.376 26.153 -19.085 359 HE21 GLN 64 HE22 GLN 64 9.653 26.356 -16.645 360 HE22 GLN 64 HE21 GLN 64 8.898 27.583 -15.644 361 H LEU 65 H LEU 65 7.728 20.955 -16.775 362 HA LEU 65 HA LEU 65 9.250 20.579 -19.277 363 HB2 LEU 65 HB2 LEU 65 9.368 18.839 -16.779 364 HB3 LEU 65 HB3 LEU 65 10.297 18.621 -18.238 365 HG LEU 65 HG LEU 65 10.517 20.900 -16.279 366 HD11 LEU 65 HD11 LEU 65 11.422 18.750 -15.519 367 HD12 LEU 65 HD12 LEU 65 12.533 18.755 -16.903 368 HD13 LEU 65 HD13 LEU 65 12.640 20.033 -15.684 369 HD21 LEU 65 HD21 LEU 65 12.137 20.389 -18.810 370 HD22 LEU 65 HD22 LEU 65 11.053 21.769 -18.520 371 HD23 LEU 65 HD23 LEU 65 12.528 21.601 -17.570 372 H TYR 66 H TYR 66 6.504 20.786 -19.459 373 HA TYR 66 HA TYR 66 5.874 18.047 -20.313 374 HB2 TYR 66 HB2 TYR 66 3.497 18.311 -19.717 375 HB3 TYR 66 HB3 TYR 66 4.572 18.259 -18.331 376 HD1 TYR 66 HD2 TYR 66 5.088 20.264 -17.071 377 HD2 TYR 66 HD1 TYR 66 2.163 20.332 -20.214 378 HE1 TYR 66 HE2 TYR 66 4.255 22.504 -16.249 379 HE2 TYR 66 HE1 TYR 66 1.481 22.632 -19.541 380 HH TYR 66 HH TYR 66 2.865 24.294 -16.685 381 H ASP 67 H ASP 67 4.253 17.911 -22.108 382 HA ASP 67 HA ASP 67 4.857 19.994 -24.078 383 HB2 ASP 67 HB2 ASP 67 4.647 17.434 -24.477 384 HB3 ASP 67 HB3 ASP 67 2.903 17.760 -24.508 385 H GLN 68 H GLN 68 3.619 21.566 -24.765 386 HA GLN 68 HA GLN 68 1.362 22.719 -23.734 387 HB2 GLN 68 HB2 GLN 68 1.676 22.619 -26.757 388 HB3 GLN 68 HB3 GLN 68 1.180 23.937 -25.726 389 HG2 GLN 68 HG2 GLN 68 3.246 24.443 -26.696 390 HG3 GLN 68 HG3 GLN 68 3.543 24.149 -24.960 391 HE21 GLN 68 HE22 GLN 68 3.608 22.437 -28.153 392 HE22 GLN 68 HE21 GLN 68 4.997 21.446 -27.727 393 H GLN 69 H GLN 69 1.502 20.349 -26.321 394 HA GLN 69 HA GLN 69 -1.387 20.228 -26.807 395 HB2 GLN 69 HB2 GLN 69 0.946 18.675 -27.981 396 HB3 GLN 69 HB3 GLN 69 -0.691 18.637 -28.589 397 HG2 GLN 69 HG2 GLN 69 -0.579 20.684 -29.592 398 HG3 GLN 69 HG3 GLN 69 0.446 21.393 -28.362 399 HE21 GLN 69 HE22 GLN 69 2.783 19.945 -28.310 400 HE22 GLN 69 HE21 GLN 69 3.526 20.154 -29.892 401 H GLU 70 H GLU 70 0.914 18.291 -25.014 402 HA GLU 70 HA GLU 70 -1.248 16.454 -24.118 403 HB2 GLU 70 HB2 GLU 70 1.446 15.568 -25.225 404 HB3 GLU 70 HB3 GLU 70 0.483 14.605 -24.103 405 HG2 GLU 70 HG2 GLU 70 -1.472 14.864 -25.755 406 HG3 GLU 70 HG3 GLU 70 -0.267 15.433 -26.916 407 H GLN 71 H GLN 71 -1.325 17.807 -22.324 408 HA GLN 71 HA GLN 71 0.855 18.746 -20.829 409 HB2 GLN 71 HB2 GLN 71 -1.993 18.099 -20.062 410 HB3 GLN 71 HB3 GLN 71 -0.933 19.108 -19.065 411 HG2 GLN 71 HG2 GLN 71 -1.853 19.784 -21.915 412 HG3 GLN 71 HG3 GLN 71 -2.598 20.330 -20.423 413 HE21 GLN 71 HE22 GLN 71 0.556 20.587 -22.203 414 HE22 GLN 71 HE21 GLN 71 0.827 22.197 -21.553 415 H HIS 72 H HIS 72 -0.674 15.601 -20.612 416 HA HIS 72 HA HIS 72 0.538 14.812 -18.083 417 HB2 HIS 72 HB2 HIS 72 -0.370 12.544 -18.890 418 HB3 HIS 72 HB3 HIS 72 -1.560 13.824 -18.627 419 HD2 HIS 72 HD2 HIS 72 0.214 11.864 -21.402 420 HE1 HIS 72 HE1 HIS 72 -2.667 14.353 -23.355 421 HE2 HIS 72 HE2 HIS 72 -0.940 12.499 -23.729 422 H MET 73 H MET 73 1.710 14.981 -21.320 423 HA MET 73 HA MET 73 3.767 12.872 -20.969 424 HB2 MET 73 HB2 MET 73 3.244 14.807 -23.259 425 HB3 MET 73 HB3 MET 73 4.598 13.698 -23.180 426 HG2 MET 73 HG2 MET 73 1.673 12.904 -23.196 427 HG3 MET 73 HG3 MET 73 2.770 12.832 -24.568 428 HE1 MET 73 HE1 MET 73 4.951 11.231 -24.634 429 HE2 MET 73 HE2 MET 73 5.497 11.597 -22.978 430 HE3 MET 73 HE3 MET 73 5.237 9.916 -23.475 431 H VAL 74 H VAL 74 5.552 13.259 -19.970 432 HA VAL 74 HA VAL 74 6.400 16.037 -19.292 433 HB VAL 74 HB VAL 74 7.273 13.340 -18.155 434 HG11 VAL 74 HG11 VAL 74 7.756 16.199 -17.216 435 HG12 VAL 74 HG12 VAL 74 8.171 14.757 -16.303 436 HG13 VAL 74 HG13 VAL 74 8.970 15.065 -17.843 437 HG21 VAL 74 HG21 VAL 74 5.915 13.968 -16.176 438 HG22 VAL 74 HG22 VAL 74 5.293 15.386 -17.056 439 HG23 VAL 74 HG23 VAL 74 4.908 13.739 -17.599 440 H TYR 75 H TYR 75 8.379 16.766 -19.915 441 HA TYR 75 HA TYR 75 10.187 15.195 -21.685 442 HB2 TYR 75 HB2 TYR 75 8.778 17.803 -22.268 443 HB3 TYR 75 HB3 TYR 75 10.296 17.363 -23.053 444 HD1 TYR 75 HD2 TYR 75 10.511 15.083 -24.156 445 HD2 TYR 75 HD1 TYR 75 6.711 16.856 -23.139 446 HE1 TYR 75 HE2 TYR 75 9.371 13.499 -25.674 447 HE2 TYR 75 HE1 TYR 75 5.572 15.304 -24.721 448 HH TYR 75 HH TYR 75 5.818 13.579 -26.236 449 H CYS 76 H CYS 76 11.572 15.045 -19.873 450 HA CYS 76 HA CYS 76 12.621 17.459 -18.566 451 HB2 CYS 76 HB2 CYS 76 12.896 14.498 -17.953 452 HB3 CYS 76 HB3 CYS 76 13.709 15.784 -17.038 453 HG CYS 76 HG CYS 76 11.607 14.913 -15.699 454 H GLY 77 H GLY 77 13.530 16.227 -21.396 455 HA2 GLY 77 HA2 GLY 77 16.269 15.621 -21.227 456 HA3 GLY 77 HA3 GLY 77 15.503 16.400 -22.612 457 H GLY 78 H GLY 78 17.950 16.737 -20.467 458 HA2 GLY 78 HA2 GLY 78 19.497 18.498 -20.368 459 HA3 GLY 78 HA3 GLY 78 18.280 19.641 -20.920 460 H ASP 79 H ASP 79 16.696 18.056 -18.423 461 HA ASP 79 HA ASP 79 17.704 19.948 -16.342 462 HB2 ASP 79 HB2 ASP 79 15.018 18.947 -17.098 463 HB3 ASP 79 HB3 ASP 79 15.361 18.843 -15.398 464 H LEU 80 H LEU 80 17.832 19.195 -14.131 465 HA LEU 80 HA LEU 80 19.513 16.950 -13.883 466 HB2 LEU 80 HB2 LEU 80 18.779 19.046 -12.237 467 HB3 LEU 80 HB3 LEU 80 17.918 17.718 -11.479 468 HG LEU 80 HG LEU 80 20.016 18.063 -10.378 469 HD11 LEU 80 HD11 LEU 80 19.394 15.681 -10.579 470 HD12 LEU 80 HD12 LEU 80 20.380 15.558 -12.051 471 HD13 LEU 80 HD13 LEU 80 21.140 15.923 -10.496 472 HD21 LEU 80 HD21 LEU 80 22.191 17.927 -11.449 473 HD22 LEU 80 HD22 LEU 80 21.440 17.637 -13.028 474 HD23 LEU 80 HD23 LEU 80 21.214 19.195 -12.207 475 H LEU 81 H LEU 81 16.011 17.194 -12.997 476 HA LEU 81 HA LEU 81 15.665 14.574 -12.209 477 HB2 LEU 81 HB2 LEU 81 13.938 16.238 -11.961 478 HB3 LEU 81 HB3 LEU 81 13.797 16.455 -13.703 479 HG LEU 81 HG LEU 81 12.745 14.296 -13.975 480 HD11 LEU 81 HD11 LEU 81 13.104 13.895 -10.979 481 HD12 LEU 81 HD12 LEU 81 12.103 12.882 -12.040 482 HD13 LEU 81 HD13 LEU 81 13.851 12.928 -12.251 483 HD21 LEU 81 HD21 LEU 81 11.525 15.809 -11.632 484 HD22 LEU 81 HD22 LEU 81 11.335 16.215 -13.352 485 HD23 LEU 81 HD23 LEU 81 10.670 14.697 -12.727 486 H GLY 82 H GLY 82 15.795 15.749 -15.602 487 HA2 GLY 82 HA2 GLY 82 15.065 13.245 -16.885 488 HA3 GLY 82 HA3 GLY 82 15.898 14.621 -17.617 489 H GLU 83 H GLU 83 18.212 14.808 -16.074 490 HA GLU 83 HA GLU 83 19.854 12.741 -17.166 491 HB2 GLU 83 HB2 GLU 83 21.383 14.246 -16.787 492 HB3 GLU 83 HB3 GLU 83 20.211 15.249 -15.935 493 HG2 GLU 83 HG2 GLU 83 20.812 14.235 -13.813 494 HG3 GLU 83 HG3 GLU 83 21.917 13.112 -14.617 495 H LEU 84 H LEU 84 18.413 13.121 -13.943 496 HA LEU 84 HA LEU 84 19.616 10.729 -12.889 497 HB2 LEU 84 HB2 LEU 84 18.952 12.759 -11.605 498 HB3 LEU 84 HB3 LEU 84 17.254 12.371 -11.896 499 HG LEU 84 HG LEU 84 17.483 10.283 -10.588 500 HD11 LEU 84 HD11 LEU 84 19.848 9.692 -10.971 501 HD12 LEU 84 HD12 LEU 84 20.373 11.181 -10.152 502 HD13 LEU 84 HD13 LEU 84 19.555 9.887 -9.247 503 HD21 LEU 84 HD21 LEU 84 17.995 11.380 -8.402 504 HD22 LEU 84 HD22 LEU 84 18.558 12.813 -9.285 505 HD23 LEU 84 HD23 LEU 84 16.859 12.302 -9.419 506 H LEU 85 H LEU 85 16.491 11.375 -14.434 507 HA LEU 85 HA LEU 85 15.316 8.759 -14.081 508 HB2 LEU 85 HB2 LEU 85 14.965 10.995 -16.117 509 HB3 LEU 85 HB3 LEU 85 14.167 9.465 -16.347 510 HG LEU 85 HG LEU 85 13.838 10.947 -13.722 511 HD11 LEU 85 HD11 LEU 85 11.790 11.943 -14.671 512 HD12 LEU 85 HD12 LEU 85 13.228 12.519 -15.532 513 HD13 LEU 85 HD13 LEU 85 12.203 11.277 -16.274 514 HD21 LEU 85 HD21 LEU 85 11.714 9.728 -13.668 515 HD22 LEU 85 HD22 LEU 85 12.018 9.050 -15.278 516 HD23 LEU 85 HD23 LEU 85 13.038 8.571 -13.909 517 H GLY 86 H GLY 86 17.609 10.098 -16.458 518 HA2 GLY 86 HA2 GLY 86 19.156 8.948 -17.798 519 HA3 GLY 86 HA3 GLY 86 18.430 7.396 -17.362 520 H ARG 87 H ARG 87 16.038 9.590 -18.206 521 HA ARG 87 HA ARG 87 16.035 9.255 -21.110 522 HB2 ARG 87 HB2 ARG 87 13.771 8.356 -21.219 523 HB3 ARG 87 HB3 ARG 87 14.917 7.211 -20.550 524 HG2 ARG 87 HG2 ARG 87 13.149 8.855 -18.715 525 HG3 ARG 87 HG3 ARG 87 12.514 7.431 -19.517 526 HD2 ARG 87 HD2 ARG 87 15.107 7.183 -18.014 527 HD3 ARG 87 HD3 ARG 87 13.597 7.279 -17.103 528 HE ARG 87 HE ARG 87 13.299 5.291 -19.114 529 HH11 ARG 87 HH11 ARG 87 15.325 5.727 -16.249 530 HH12 ARG 87 HH12 ARG 87 15.212 4.011 -15.848 531 HH21 ARG 87 HH21 ARG 87 13.356 3.102 -18.534 532 HH22 ARG 87 HH22 ARG 87 14.250 2.629 -17.109 533 H GLN 88 H GLN 88 15.102 10.852 -22.122 534 HA GLN 88 HA GLN 88 14.511 13.330 -20.709 535 HB2 GLN 88 HB2 GLN 88 14.213 14.228 -22.929 536 HB3 GLN 88 HB3 GLN 88 15.666 13.220 -22.873 537 HG2 GLN 88 HG2 GLN 88 14.361 11.378 -24.004 538 HG3 GLN 88 HG3 GLN 88 12.980 12.473 -24.120 539 HE21 GLN 88 HE22 GLN 88 13.272 14.489 -25.483 540 HE22 GLN 88 HE21 GLN 88 14.458 14.423 -26.777 541 H SER 89 H SER 89 12.430 10.716 -21.636 542 HA SER 89 HA SER 89 10.146 12.396 -20.757 543 HB2 SER 89 HB2 SER 89 8.786 11.820 -22.749 544 HB3 SER 89 HB3 SER 89 10.237 12.746 -23.167 545 HG SER 89 HG SER 89 9.888 10.912 -24.566 546 H PHE 90 H PHE 90 8.238 11.523 -20.295 547 HA PHE 90 HA PHE 90 7.579 8.732 -20.212 548 HB2 PHE 90 HB2 PHE 90 7.566 8.398 -17.816 549 HB3 PHE 90 HB3 PHE 90 9.194 8.766 -18.333 550 HD1 PHE 90 HD2 PHE 90 10.176 11.079 -17.906 551 HD2 PHE 90 HD1 PHE 90 6.445 9.749 -16.178 552 HE1 PHE 90 HE2 PHE 90 10.262 12.932 -16.298 553 HE2 PHE 90 HE1 PHE 90 6.584 11.556 -14.502 554 HZ PHE 90 HZ PHE 90 8.506 13.142 -14.513 555 H SER 91 H SER 91 5.491 8.668 -18.513 556 HA SER 91 HA SER 91 3.868 11.150 -18.919 557 HB2 SER 91 HB2 SER 91 3.336 9.601 -20.738 558 HB3 SER 91 HB3 SER 91 3.009 8.311 -19.574 559 HG SER 91 HG SER 91 1.139 9.583 -20.381 560 H VAL 92 H VAL 92 2.188 11.506 -17.375 561 HA VAL 92 HA VAL 92 2.409 10.316 -14.799 562 HB VAL 92 HB VAL 92 0.625 11.610 -14.196 563 HG11 VAL 92 HG11 VAL 92 2.517 12.987 -15.130 564 HG12 VAL 92 HG12 VAL 92 1.516 13.209 -16.590 565 HG13 VAL 92 HG13 VAL 92 0.947 13.800 -15.027 566 HG21 VAL 92 HG21 VAL 92 -0.410 11.505 -17.027 567 HG22 VAL 92 HG22 VAL 92 -1.192 10.892 -15.559 568 HG23 VAL 92 HG23 VAL 92 -1.047 12.630 -15.812 569 H LYS 93 H LYS 93 0.899 9.242 -17.700 570 HA LYS 93 HA LYS 93 -0.883 7.231 -16.469 571 HB2 LYS 93 HB2 LYS 93 -0.191 7.797 -19.382 572 HB3 LYS 93 HB3 LYS 93 -1.490 6.753 -18.808 573 HG2 LYS 93 HG2 LYS 93 -2.685 8.649 -17.838 574 HG3 LYS 93 HG3 LYS 93 -1.355 9.747 -18.232 575 HD2 LYS 93 HD2 LYS 93 -1.678 9.309 -20.647 576 HD3 LYS 93 HD3 LYS 93 -3.082 8.286 -20.262 577 HE2 LYS 93 HE2 LYS 93 -4.226 10.185 -19.206 578 HE3 LYS 93 HE3 LYS 93 -2.798 11.206 -19.402 579 HZ1 LYS 93 HZ1 LYS 93 -4.432 11.649 -21.139 580 HZ2 LYS 93 HZ2 LYS 93 -3.082 11.043 -21.823 581 HZ3 LYS 93 HZ3 LYS 93 -4.408 10.097 -21.646 582 H ASP 94 H ASP 94 2.405 7.356 -17.106 583 HA ASP 94 HA ASP 94 2.715 4.412 -17.069 584 HB2 ASP 94 HB2 ASP 94 2.713 5.038 -19.448 585 HB3 ASP 94 HB3 ASP 94 3.984 6.225 -19.156 586 HA PRO 95 HA PRO 95 5.308 7.039 -14.250 587 HB2 PRO 95 HB2 PRO 95 4.803 5.845 -11.854 588 HB3 PRO 95 HB3 PRO 95 3.630 6.916 -12.666 589 HG2 PRO 95 HG2 PRO 95 3.725 3.883 -12.771 590 HG3 PRO 95 HG3 PRO 95 2.327 4.931 -12.352 591 HD2 PRO 95 HD2 PRO 95 2.670 3.981 -14.871 592 HD3 PRO 95 HD3 PRO 95 2.069 5.643 -14.590 593 H SER 96 H SER 96 5.667 3.671 -15.008 594 HA SER 96 HA SER 96 7.476 2.664 -13.253 595 HB2 SER 96 HB2 SER 96 7.587 2.289 -16.264 596 HB3 SER 96 HB3 SER 96 8.273 1.198 -15.050 597 HG SER 96 HG SER 96 6.200 0.729 -14.309 598 HA PRO 97 HA PRO 97 11.377 4.608 -15.383 599 HB2 PRO 97 HB2 PRO 97 10.262 7.324 -16.100 600 HB3 PRO 97 HB3 PRO 97 11.523 6.358 -16.927 601 HG2 PRO 97 HG2 PRO 97 9.040 6.440 -17.933 602 HG3 PRO 97 HG3 PRO 97 9.890 4.848 -17.798 603 HD2 PRO 97 HD2 PRO 97 7.875 6.065 -15.922 604 HD3 PRO 97 HD3 PRO 97 7.848 4.453 -16.706 605 H LEU 98 H LEU 98 9.039 6.760 -13.747 606 HA LEU 98 HA LEU 98 10.985 8.075 -12.077 607 HB2 LEU 98 HB2 LEU 98 9.245 9.248 -11.281 608 HB3 LEU 98 HB3 LEU 98 8.425 8.557 -12.655 609 HG LEU 98 HG LEU 98 7.592 6.747 -10.981 610 HD11 LEU 98 HD11 LEU 98 8.979 7.398 -9.018 611 HD12 LEU 98 HD12 LEU 98 8.228 9.003 -9.040 612 HD13 LEU 98 HD13 LEU 98 7.256 7.561 -8.693 613 HD21 LEU 98 HD21 LEU 98 5.656 8.100 -10.489 614 HD22 LEU 98 HD22 LEU 98 6.573 9.599 -10.787 615 HD23 LEU 98 HD23 LEU 98 6.215 8.472 -12.114 616 H TYR 99 H TYR 99 9.136 5.064 -11.835 617 HA TYR 99 HA TYR 99 10.015 4.544 -9.098 618 HB2 TYR 99 HB2 TYR 99 8.567 2.910 -11.184 619 HB3 TYR 99 HB3 TYR 99 9.238 2.141 -9.761 620 HD1 TYR 99 HD1 TYR 99 6.813 4.708 -10.910 621 HD2 TYR 99 HD2 TYR 99 8.305 2.472 -7.544 622 HE1 TYR 99 HE1 TYR 99 5.039 5.687 -9.500 623 HE2 TYR 99 HE2 TYR 99 6.432 3.343 -6.149 624 HH TYR 99 HH TYR 99 3.989 5.634 -7.414 625 H ASP 100 H ASP 100 11.274 3.593 -12.309 626 HA ASP 100 HA ASP 100 13.477 2.074 -11.397 627 HB2 ASP 100 HB2 ASP 100 12.560 2.501 -13.762 628 HB3 ASP 100 HB3 ASP 100 13.503 3.964 -13.740 629 H MET 101 H MET 101 13.101 5.577 -11.716 630 HA MET 101 HA MET 101 15.838 6.063 -10.890 631 HB2 MET 101 HB2 MET 101 15.706 8.266 -11.181 632 HB3 MET 101 HB3 MET 101 14.703 7.548 -12.433 633 HG2 MET 101 HG2 MET 101 13.590 9.486 -11.721 634 HG3 MET 101 HG3 MET 101 12.710 8.130 -11.046 635 HE1 MET 101 HE1 MET 101 11.368 9.073 -9.256 636 HE2 MET 101 HE2 MET 101 11.864 10.444 -8.236 637 HE3 MET 101 HE3 MET 101 11.755 10.645 -10.001 638 H LEU 102 H LEU 102 12.949 5.526 -9.051 639 HA LEU 102 HA LEU 102 14.141 6.587 -6.562 640 HB2 LEU 102 HB2 LEU 102 11.571 5.022 -7.066 641 HB3 LEU 102 HB3 LEU 102 12.124 5.580 -5.493 642 HG LEU 102 HG LEU 102 11.255 7.320 -7.817 643 HD11 LEU 102 HD11 LEU 102 10.038 6.855 -5.062 644 HD12 LEU 102 HD12 LEU 102 9.398 7.926 -6.328 645 HD13 LEU 102 HD13 LEU 102 9.434 6.177 -6.592 646 HD21 LEU 102 HD21 LEU 102 12.959 8.561 -6.688 647 HD22 LEU 102 HD22 LEU 102 11.407 9.210 -6.155 648 HD23 LEU 102 HD23 LEU 102 12.332 8.130 -5.092 649 H ARG 103 H ARG 103 13.181 3.370 -7.873 650 HA ARG 103 HA ARG 103 13.594 1.857 -5.727 651 HB2 ARG 103 HB2 ARG 103 13.609 -0.057 -7.207 652 HB3 ARG 103 HB3 ARG 103 12.561 1.229 -7.810 653 HG2 ARG 103 HG2 ARG 103 13.465 0.547 -9.737 654 HG3 ARG 103 HG3 ARG 103 14.532 1.888 -9.325 655 HD2 ARG 103 HD2 ARG 103 16.213 0.231 -8.499 656 HD3 ARG 103 HD3 ARG 103 15.107 -1.073 -8.973 657 HE ARG 103 HE ARG 103 15.455 0.606 -11.244 658 HH11 ARG 103 HH11 ARG 103 17.500 -1.629 -9.449 659 HH12 ARG 103 HH12 ARG 103 18.483 -1.935 -10.855 660 HH21 ARG 103 HH21 ARG 103 16.602 0.168 -12.875 661 HH22 ARG 103 HH22 ARG 103 17.991 -0.923 -12.815 662 H LYS 104 H LYS 104 16.298 2.784 -7.690 663 HA LYS 104 HA LYS 104 18.233 1.171 -6.131 664 HB2 LYS 104 HB2 LYS 104 19.791 2.092 -7.918 665 HB3 LYS 104 HB3 LYS 104 18.597 0.910 -8.395 666 HG2 LYS 104 HG2 LYS 104 19.026 2.815 -10.000 667 HG3 LYS 104 HG3 LYS 104 17.336 2.499 -9.615 668 HD2 LYS 104 HD2 LYS 104 17.103 4.425 -8.291 669 HD3 LYS 104 HD3 LYS 104 18.878 4.584 -8.059 670 HE2 LYS 104 HE2 LYS 104 17.433 5.076 -10.643 671 HE3 LYS 104 HE3 LYS 104 17.716 6.278 -9.340 672 HZ1 LYS 104 HZ1 LYS 104 19.452 6.341 -11.132 673 HZ2 LYS 104 HZ2 LYS 104 20.067 6.067 -9.648 674 HZ3 LYS 104 HZ3 LYS 104 19.937 4.833 -10.735 675 H ASN 105 H ASN 105 17.100 4.395 -6.001 676 HA ASN 105 HA ASN 105 19.621 5.470 -4.680 677 HB2 ASN 105 HB2 ASN 105 17.487 6.678 -6.393 678 HB3 ASN 105 HB3 ASN 105 18.220 7.648 -5.109 679 HD21 ASN 105 HD22 ASN 105 20.802 7.225 -5.011 680 HD22 ASN 105 HD21 ASN 105 21.564 7.294 -6.583 681 H LEU 106 H LEU 106 16.089 5.428 -4.587 682 HA LEU 106 HA LEU 106 16.122 5.967 -1.640 683 HB2 LEU 106 HB2 LEU 106 14.982 7.694 -2.863 684 HB3 LEU 106 HB3 LEU 106 14.088 6.503 -3.823 685 HG LEU 106 HG LEU 106 12.923 5.731 -1.799 686 HD11 LEU 106 HD11 LEU 106 14.164 8.165 -0.427 687 HD12 LEU 106 HD12 LEU 106 12.940 7.082 0.253 688 HD13 LEU 106 HD13 LEU 106 14.570 6.478 -0.033 689 HD21 LEU 106 HD21 LEU 106 11.770 7.282 -3.141 690 HD22 LEU 106 HD22 LEU 106 11.515 7.770 -1.467 691 HD23 LEU 106 HD23 LEU 106 12.679 8.670 -2.473 692 H VAL 107 H VAL 107 15.618 4.377 -0.368 693 HA VAL 107 HA VAL 107 13.696 2.282 -1.232 694 HB VAL 107 HB VAL 107 16.215 1.688 0.382 695 HG11 VAL 107 HG11 VAL 107 13.994 -0.152 -0.626 696 HG12 VAL 107 HG12 VAL 107 15.496 -0.678 0.162 697 HG13 VAL 107 HG13 VAL 107 14.319 0.264 1.073 698 HG21 VAL 107 HG21 VAL 107 15.470 0.878 -2.461 699 HG22 VAL 107 HG22 VAL 107 16.799 1.959 -1.987 700 HG23 VAL 107 HG23 VAL 107 16.858 0.254 -1.543 701 H THR 108 H THR 108 12.029 2.120 0.208 702 HA THR 108 HA THR 108 12.270 3.542 2.828 703 HB THR 108 HB THR 108 10.649 4.433 1.239 704 HG1 THR 108 HG1 THR 108 9.050 4.609 2.873 705 HG21 THR 108 HG21 THR 108 9.687 2.348 0.287 706 HG22 THR 108 HG22 THR 108 9.047 1.910 1.886 707 HG23 THR 108 HG23 THR 108 8.438 3.345 1.048 708 H LEU 109 H LEU 109 10.514 2.678 4.381 709 HA LEU 109 HA LEU 109 11.302 -0.086 5.136 710 HB2 LEU 109 HB2 LEU 109 9.729 2.073 6.576 711 HB3 LEU 109 HB3 LEU 109 9.823 0.404 7.120 712 HG LEU 109 HG LEU 109 12.364 0.615 7.128 713 HD11 LEU 109 HD11 LEU 109 13.256 2.922 7.481 714 HD12 LEU 109 HD12 LEU 109 12.722 2.661 5.826 715 HD13 LEU 109 HD13 LEU 109 11.699 3.591 6.952 716 HD21 LEU 109 HD21 LEU 109 12.353 1.716 9.325 717 HD22 LEU 109 HD22 LEU 109 10.731 2.376 8.994 718 HD23 LEU 109 HD23 LEU 109 10.976 0.619 9.140 719 H ALA 110 H ALA 110 10.064 -1.852 4.823 720 HA ALA 110 HA ALA 110 7.177 -1.686 4.201 721 HB1 ALA 110 HB1 ALA 110 9.269 -2.824 2.294 722 HB2 ALA 110 HB2 ALA 110 7.506 -2.895 2.082 723 HB3 ALA 110 HB3 ALA 110 8.341 -1.330 2.039 724 H THR 111 H THR 111 6.091 -3.567 4.391 725 HA THR 111 HA THR 111 5.484 -5.528 5.367 726 HB THR 111 HB THR 111 6.627 -5.817 3.059 727 HG1 THR 111 HG1 THR 111 5.003 -7.163 3.737 728 HG21 THR 111 HG21 THR 111 8.425 -7.667 4.688 729 HG22 THR 111 HG22 THR 111 8.255 -7.632 2.925 730 HG23 THR 111 HG23 THR 111 8.948 -6.241 3.758 731 HD1 48M 200 HD1 48M 200 2.368 14.858 -12.858 732 HD2 48M 200 HD2 48M 200 2.848 13.353 -8.845 733 HD3 48M 200 HD3 48M 200 -0.817 11.796 -8.456 734 HD4 48M 200 HD4 48M 200 1.566 12.024 -12.023 735 HD5 48M 200 HD5 48M 200 -2.513 13.872 -13.436 736 HE1 48M 200 HE1 48M 200 4.579 13.942 -13.458 737 HE2 48M 200 HE2 48M 200 5.037 12.399 -9.482 738 HE3 48M 200 HE3 48M 200 -0.235 9.401 -8.224 739 HE5 48M 200 HE5 48M 200 -3.412 14.445 -15.627 740 HE6 48M 200 HE6 48M 200 -0.322 17.361 -16.175 741 HZ2 48M 200 HZ2 48M 200 1.273 8.326 -9.882 742 HM21 48M 200 HM21 48M 200 3.322 16.932 -16.308 743 HM22 48M 200 HM22 48M 200 3.067 15.664 -15.098 744 HM23 48M 200 HM23 48M 200 1.831 15.990 -16.323 745 HM31 48M 200 HM31 48M 200 3.505 17.334 -13.243 746 HM32 48M 200 HM32 48M 200 3.717 18.669 -14.391 747 HM33 48M 200 HM33 48M 200 2.524 18.797 -13.102 748 HN1 48M 200 HN1 48M 200 -3.056 20.660 -11.002 749 H21 48M 200 H21 48M 200 -2.531 18.443 -9.612 750 H22 48M 200 H22 48M 200 -3.711 18.379 -10.937 751 H31 48M 200 H31 48M 200 -1.983 16.583 -10.997 752 H32 48M 200 H32 48M 200 -2.046 17.555 -12.485 753 H41 48M 200 H41 48M 200 0.501 19.480 -12.424 754 H42 48M 200 H42 48M 200 0.704 19.619 -10.663 755 H7 48M 200 H7 48M 200 -0.722 13.813 -9.535 756 H8 48M 200 H8 48M 200 1.116 15.094 -9.393 757 H9 48M 200 H9 48M 200 1.448 18.287 -15.316 Start of MODEL 11 1 H1 GLN 23 H GLN 23 6.327 16.797 12.401 2 HA GLN 23 HA GLN 23 8.838 16.823 10.933 3 HB2 GLN 23 HB2 GLN 23 8.794 15.693 13.767 4 HB3 GLN 23 HB3 GLN 23 10.075 15.405 12.584 5 HG2 GLN 23 HG2 GLN 23 10.561 17.837 12.493 6 HG3 GLN 23 HG3 GLN 23 9.289 18.145 13.680 7 HE21 GLN 23 HE22 GLN 23 12.487 16.542 13.242 8 HE22 GLN 23 HE21 GLN 23 12.862 16.546 14.960 9 H ILE 24 H ILE 24 9.378 14.882 9.987 10 HA ILE 24 HA ILE 24 7.187 12.875 9.814 11 HB ILE 24 HB ILE 24 9.374 13.725 7.884 12 HG12 ILE 24 HG12 ILE 24 6.393 13.831 7.367 13 HG13 ILE 24 HG13 ILE 24 7.200 15.170 8.189 14 HG21 ILE 24 HG21 ILE 24 8.078 12.137 6.277 15 HG22 ILE 24 HG22 ILE 24 9.097 11.395 7.507 16 HG23 ILE 24 HG23 ILE 24 7.320 11.469 7.723 17 HD11 ILE 24 HD11 ILE 24 7.798 14.182 5.374 18 HD12 ILE 24 HD12 ILE 24 7.024 15.699 5.850 19 HD13 ILE 24 HD13 ILE 24 8.734 15.428 6.235 20 H ASN 25 H ASN 25 7.598 10.687 9.771 21 HA ASN 25 HA ASN 25 10.160 9.793 11.005 22 HB2 ASN 25 HB2 ASN 25 7.430 8.506 11.327 23 HB3 ASN 25 HB3 ASN 25 8.891 8.243 12.273 24 HD21 ASN 25 HD22 ASN 25 9.681 10.797 13.052 25 HD22 ASN 25 HD21 ASN 25 8.365 11.568 13.921 26 H GLN 26 H GLN 26 10.228 9.980 8.397 27 HA GLN 26 HA GLN 26 9.919 7.263 7.202 28 HB2 GLN 26 HB2 GLN 26 9.253 9.873 5.829 29 HB3 GLN 26 HB3 GLN 26 9.269 8.292 5.068 30 HG2 GLN 26 HG2 GLN 26 7.450 9.180 7.279 31 HG3 GLN 26 HG3 GLN 26 7.003 8.889 5.605 32 HE21 GLN 26 HE22 GLN 26 8.412 6.260 5.295 33 HE22 GLN 26 HE21 GLN 26 7.549 5.172 6.365 34 H VAL 27 H VAL 27 10.977 7.693 4.771 35 HA VAL 27 HA VAL 27 13.843 7.656 5.584 36 HB VAL 27 HB VAL 27 12.376 6.143 3.375 37 HG11 VAL 27 HG11 VAL 27 14.713 6.358 2.683 38 HG12 VAL 27 HG12 VAL 27 15.265 5.821 4.294 39 HG13 VAL 27 HG13 VAL 27 14.390 4.715 3.219 40 HG21 VAL 27 HG21 VAL 27 12.803 4.140 4.799 41 HG22 VAL 27 HG22 VAL 27 13.478 5.193 6.057 42 HG23 VAL 27 HG23 VAL 27 11.762 5.305 5.608 43 H ARG 28 H ARG 28 15.540 8.302 4.337 44 HA ARG 28 HA ARG 28 14.919 10.576 2.596 45 HB2 ARG 28 HB2 ARG 28 17.124 11.339 3.000 46 HB3 ARG 28 HB3 ARG 28 16.360 10.924 4.530 47 HG2 ARG 28 HG2 ARG 28 17.684 8.821 4.621 48 HG3 ARG 28 HG3 ARG 28 18.453 9.243 3.074 49 HD2 ARG 28 HD2 ARG 28 19.341 11.318 4.060 50 HD3 ARG 28 HD3 ARG 28 18.581 10.911 5.614 51 HE ARG 28 HE ARG 28 20.215 8.719 4.831 52 HH11 ARG 28 HH11 ARG 28 20.693 12.021 5.913 53 HH12 ARG 28 HH12 ARG 28 22.261 11.668 6.588 54 HH21 ARG 28 HH21 ARG 28 22.219 8.340 5.714 55 HH22 ARG 28 HH22 ARG 28 23.096 9.634 6.475 56 HA PRO 29 HA PRO 29 16.575 8.455 -1.127 57 HB2 PRO 29 HB2 PRO 29 16.416 10.457 -2.822 58 HB3 PRO 29 HB3 PRO 29 14.914 9.760 -2.148 59 HG2 PRO 29 HG2 PRO 29 16.346 12.289 -1.268 60 HG3 PRO 29 HG3 PRO 29 14.603 12.072 -1.624 61 HD2 PRO 29 HD2 PRO 29 15.656 11.910 0.914 62 HD3 PRO 29 HD3 PRO 29 14.225 10.965 0.397 63 H LYS 30 H LYS 30 18.475 8.855 -2.590 64 HA LYS 30 HA LYS 30 20.808 9.971 -1.278 65 HB2 LYS 30 HB2 LYS 30 20.565 8.062 -3.094 66 HB3 LYS 30 HB3 LYS 30 20.655 9.403 -4.237 67 HG2 LYS 30 HG2 LYS 30 22.872 10.046 -3.071 68 HG3 LYS 30 HG3 LYS 30 22.729 8.519 -2.190 69 HD2 LYS 30 HD2 LYS 30 22.672 7.312 -4.386 70 HD3 LYS 30 HD3 LYS 30 22.847 8.877 -5.222 71 HE2 LYS 30 HE2 LYS 30 25.012 9.259 -4.060 72 HE3 LYS 30 HE3 LYS 30 24.830 7.733 -3.191 73 HZ1 LYS 30 HZ1 LYS 30 25.113 7.979 -6.147 74 HZ2 LYS 30 HZ2 LYS 30 26.273 7.473 -5.123 75 HZ3 LYS 30 HZ3 LYS 30 24.938 6.566 -5.336 76 H LEU 31 H LEU 31 22.205 11.609 -2.307 77 HA LEU 31 HA LEU 31 21.197 14.125 -2.227 78 HB2 LEU 31 HB2 LEU 31 23.529 13.458 -1.947 79 HB3 LEU 31 HB3 LEU 31 23.670 13.094 -3.665 80 HG LEU 31 HG LEU 31 23.328 15.475 -4.207 81 HD11 LEU 31 HD11 LEU 31 23.289 15.861 -1.180 82 HD12 LEU 31 HD12 LEU 31 23.504 17.173 -2.354 83 HD13 LEU 31 HD13 LEU 31 21.986 16.271 -2.321 84 HD21 LEU 31 HD21 LEU 31 25.499 16.280 -3.371 85 HD22 LEU 31 HD22 LEU 31 25.513 14.997 -2.141 86 HD23 LEU 31 HD23 LEU 31 25.603 14.584 -3.868 87 HA PRO 32 HA PRO 32 20.894 14.770 -6.977 88 HB2 PRO 32 HB2 PRO 32 20.208 12.609 -8.581 89 HB3 PRO 32 HB3 PRO 32 21.869 13.240 -8.351 90 HG2 PRO 32 HG2 PRO 32 20.526 10.936 -6.915 91 HG3 PRO 32 HG3 PRO 32 22.169 10.991 -7.630 92 HD2 PRO 32 HD2 PRO 32 21.830 11.347 -5.000 93 HD3 PRO 32 HD3 PRO 32 22.976 12.390 -5.883 94 H LEU 33 H LEU 33 18.841 12.087 -5.719 95 HA LEU 33 HA LEU 33 16.365 13.180 -6.732 96 HB2 LEU 33 HB2 LEU 33 17.221 11.159 -4.728 97 HB3 LEU 33 HB3 LEU 33 15.700 11.958 -4.329 98 HG LEU 33 HG LEU 33 16.219 10.501 -6.926 99 HD11 LEU 33 HD11 LEU 33 14.899 8.728 -6.020 100 HD12 LEU 33 HD12 LEU 33 16.109 9.100 -4.788 101 HD13 LEU 33 HD13 LEU 33 14.443 9.681 -4.587 102 HD21 LEU 33 HD21 LEU 33 13.706 10.657 -7.116 103 HD22 LEU 33 HD22 LEU 33 13.675 11.685 -5.673 104 HD23 LEU 33 HD23 LEU 33 14.451 12.258 -7.161 105 H LEU 34 H LEU 34 18.018 13.548 -3.575 106 HA LEU 34 HA LEU 34 16.069 15.220 -2.412 107 HB2 LEU 34 HB2 LEU 34 18.004 13.969 -1.343 108 HB3 LEU 34 HB3 LEU 34 19.099 15.200 -1.924 109 HG LEU 34 HG LEU 34 18.468 15.273 0.495 110 HD11 LEU 34 HD11 LEU 34 17.728 17.836 -0.947 111 HD12 LEU 34 HD12 LEU 34 18.347 17.649 0.695 112 HD13 LEU 34 HD13 LEU 34 19.390 17.260 -0.681 113 HD21 LEU 34 HD21 LEU 34 16.352 16.184 1.209 114 HD22 LEU 34 HD22 LEU 34 15.785 16.347 -0.458 115 HD23 LEU 34 HD23 LEU 34 16.055 14.729 0.244 116 H LYS 35 H LYS 35 18.912 16.181 -4.430 117 HA LYS 35 HA LYS 35 18.498 18.957 -4.385 118 HB2 LYS 35 HB2 LYS 35 20.321 17.283 -5.586 119 HB3 LYS 35 HB3 LYS 35 19.350 17.698 -6.989 120 HG2 LYS 35 HG2 LYS 35 21.047 19.350 -6.936 121 HG3 LYS 35 HG3 LYS 35 19.639 20.161 -6.258 122 HD2 LYS 35 HD2 LYS 35 21.282 20.754 -4.696 123 HD3 LYS 35 HD3 LYS 35 20.569 19.332 -3.934 124 HE2 LYS 35 HE2 LYS 35 22.883 19.058 -3.684 125 HE3 LYS 35 HE3 LYS 35 22.417 17.927 -4.955 126 HZ1 LYS 35 HZ1 LYS 35 23.661 20.609 -5.400 127 HZ2 LYS 35 HZ2 LYS 35 24.444 19.188 -5.527 128 HZ3 LYS 35 HZ3 LYS 35 23.272 19.564 -6.595 129 H ILE 36 H ILE 36 16.993 16.653 -6.674 130 HA ILE 36 HA ILE 36 15.451 18.490 -8.235 131 HB ILE 36 HB ILE 36 14.950 15.609 -7.476 132 HG12 ILE 36 HG12 ILE 36 15.878 16.715 -10.141 133 HG13 ILE 36 HG13 ILE 36 17.055 16.440 -8.874 134 HG21 ILE 36 HG21 ILE 36 12.805 16.629 -8.167 135 HG22 ILE 36 HG22 ILE 36 13.585 17.333 -9.597 136 HG23 ILE 36 HG23 ILE 36 13.411 15.576 -9.437 137 HD11 ILE 36 HD11 ILE 36 15.225 14.284 -9.973 138 HD12 ILE 36 HD12 ILE 36 16.956 14.500 -10.326 139 HD13 ILE 36 HD13 ILE 36 16.434 14.098 -8.690 140 H LEU 37 H LEU 37 14.624 16.651 -5.190 141 HA LEU 37 HA LEU 37 11.966 17.626 -4.881 142 HB2 LEU 37 HB2 LEU 37 14.062 16.265 -3.133 143 HB3 LEU 37 HB3 LEU 37 12.505 16.703 -2.480 144 HG LEU 37 HG LEU 37 11.377 15.183 -3.596 145 HD11 LEU 37 HD11 LEU 37 13.401 14.634 -5.753 146 HD12 LEU 37 HD12 LEU 37 11.831 13.854 -5.537 147 HD13 LEU 37 HD13 LEU 37 11.898 15.566 -5.939 148 HD21 LEU 37 HD21 LEU 37 12.908 14.109 -2.040 149 HD22 LEU 37 HD22 LEU 37 12.464 13.015 -3.364 150 HD23 LEU 37 HD23 LEU 37 14.051 13.814 -3.373 151 H HIS 38 H HIS 38 15.064 18.750 -3.480 152 HA HIS 38 HA HIS 38 13.840 20.882 -1.921 153 HB2 HIS 38 HB2 HIS 38 16.630 20.020 -2.661 154 HB3 HIS 38 HB3 HIS 38 16.377 21.631 -1.979 155 HD2 HIS 38 HD2 HIS 38 14.132 18.809 -0.745 156 HE1 HIS 38 HE1 HIS 38 16.724 19.797 2.491 157 HE2 HIS 38 HE2 HIS 38 14.649 18.468 1.822 158 H ALA 39 H ALA 39 15.371 20.812 -5.182 159 HA ALA 39 HA ALA 39 15.062 23.620 -5.691 160 HB1 ALA 39 HB1 ALA 39 15.174 21.184 -7.488 161 HB2 ALA 39 HB2 ALA 39 15.240 22.871 -8.071 162 HB3 ALA 39 HB3 ALA 39 16.524 22.234 -7.022 163 H ALA 40 H ALA 40 12.738 20.972 -5.642 164 HA ALA 40 HA ALA 40 10.624 22.623 -6.768 165 HB1 ALA 40 HB1 ALA 40 10.044 20.139 -5.182 166 HB2 ALA 40 HB2 ALA 40 9.350 20.736 -6.711 167 HB3 ALA 40 HB3 ALA 40 10.951 19.973 -6.685 168 H GLY 41 H GLY 41 11.927 22.098 -3.507 169 HA2 GLY 41 HA2 GLY 41 11.407 23.494 -1.676 170 HA3 GLY 41 HA3 GLY 41 9.816 23.846 -2.336 171 H ALA 42 H ALA 42 11.412 20.649 -1.720 172 HA ALA 42 HA ALA 42 9.179 19.455 -0.485 173 HB1 ALA 42 HB1 ALA 42 10.690 17.688 0.167 174 HB2 ALA 42 HB2 ALA 42 11.097 18.239 -1.460 175 HB3 ALA 42 HB3 ALA 42 12.088 18.742 -0.056 176 H GLN 43 H GLN 43 8.797 18.723 1.648 177 HA GLN 43 HA GLN 43 9.211 20.907 3.575 178 HB2 GLN 43 HB2 GLN 43 6.955 19.943 2.740 179 HB3 GLN 43 HB3 GLN 43 7.252 18.616 3.865 180 HG2 GLN 43 HG2 GLN 43 7.367 20.293 5.739 181 HG3 GLN 43 HG3 GLN 43 7.114 21.592 4.572 182 HE21 GLN 43 HE22 GLN 43 4.969 21.652 3.420 183 HE22 GLN 43 HE21 GLN 43 3.590 20.909 4.218 184 H GLY 44 H GLY 44 11.403 19.066 3.173 185 HA2 GLY 44 HA2 GLY 44 12.596 18.682 5.577 186 HA3 GLY 44 HA3 GLY 44 11.532 17.277 5.503 187 H GLU 45 H GLU 45 13.427 16.009 5.583 188 HA GLU 45 HA GLU 45 14.652 15.499 2.890 189 HB2 GLU 45 HB2 GLU 45 15.981 15.214 5.612 190 HB3 GLU 45 HB3 GLU 45 16.697 14.773 4.058 191 HG2 GLU 45 HG2 GLU 45 16.548 17.152 3.324 192 HG3 GLU 45 HG3 GLU 45 15.918 17.592 4.911 193 H MET 46 H MET 46 12.437 14.295 4.925 194 HA MET 46 HA MET 46 13.070 11.350 4.618 195 HB2 MET 46 HB2 MET 46 12.202 12.967 7.053 196 HB3 MET 46 HB3 MET 46 11.979 11.228 6.927 197 HG2 MET 46 HG2 MET 46 14.403 10.930 6.572 198 HG3 MET 46 HG3 MET 46 14.648 12.670 6.744 199 HE1 MET 46 HE1 MET 46 12.724 13.451 9.256 200 HE2 MET 46 HE2 MET 46 13.934 13.303 10.543 201 HE3 MET 46 HE3 MET 46 14.390 14.018 8.982 202 H PHE 47 H PHE 47 11.447 10.711 3.199 203 HA PHE 47 HA PHE 47 8.602 11.291 3.925 204 HB2 PHE 47 HB2 PHE 47 8.938 11.630 1.071 205 HB3 PHE 47 HB3 PHE 47 8.186 12.669 2.260 206 HD1 PHE 47 HD2 PHE 47 11.605 11.663 1.056 207 HD2 PHE 47 HD1 PHE 47 9.103 14.810 2.608 208 HE1 PHE 47 HE2 PHE 47 13.420 13.280 0.703 209 HE2 PHE 47 HE1 PHE 47 10.880 16.474 2.110 210 HZ PHE 47 HZ PHE 47 13.033 15.730 1.120 211 H THR 48 H THR 48 7.029 10.090 2.541 212 HA THR 48 HA THR 48 7.892 7.367 1.778 213 HB THR 48 HB THR 48 5.239 7.359 1.277 214 HG1 THR 48 HG1 THR 48 4.414 8.743 3.099 215 HG21 THR 48 HG21 THR 48 6.486 7.360 4.040 216 HG22 THR 48 HG22 THR 48 4.883 6.694 3.622 217 HG23 THR 48 HG23 THR 48 6.348 5.968 2.942 218 H VAL 49 H VAL 49 7.043 6.443 -0.237 219 HA VAL 49 HA VAL 49 8.036 7.459 -2.570 220 HB VAL 49 HB VAL 49 7.410 5.168 -2.136 221 HG11 VAL 49 HG11 VAL 49 4.557 5.849 -2.889 222 HG12 VAL 49 HG12 VAL 49 5.241 4.257 -2.541 223 HG13 VAL 49 HG13 VAL 49 5.117 5.443 -1.240 224 HG21 VAL 49 HG21 VAL 49 7.964 5.922 -4.407 225 HG22 VAL 49 HG22 VAL 49 6.789 4.601 -4.434 226 HG23 VAL 49 HG23 VAL 49 6.250 6.267 -4.728 227 H LYS 50 H LYS 50 4.755 7.736 -1.336 228 HA LYS 50 HA LYS 50 3.611 9.083 -3.517 229 HB2 LYS 50 HB2 LYS 50 1.699 9.081 -2.190 230 HB3 LYS 50 HB3 LYS 50 2.599 7.677 -1.649 231 HG2 LYS 50 HG2 LYS 50 3.458 9.059 0.291 232 HG3 LYS 50 HG3 LYS 50 2.374 10.363 -0.232 233 HD2 LYS 50 HD2 LYS 50 0.416 8.851 0.069 234 HD3 LYS 50 HD3 LYS 50 1.511 7.550 0.551 235 HE2 LYS 50 HE2 LYS 50 0.677 8.417 2.577 236 HE3 LYS 50 HE3 LYS 50 2.334 9.012 2.442 237 HZ1 LYS 50 HZ1 LYS 50 1.429 11.183 1.721 238 HZ2 LYS 50 HZ2 LYS 50 -0.105 10.596 1.764 239 HZ3 LYS 50 HZ3 LYS 50 0.750 10.754 3.141 240 H GLU 51 H GLU 51 5.321 10.365 -0.722 241 HA GLU 51 HA GLU 51 4.652 13.177 -1.304 242 HB2 GLU 51 HB2 GLU 51 6.657 11.961 0.615 243 HB3 GLU 51 HB3 GLU 51 6.201 13.661 0.540 244 HG2 GLU 51 HG2 GLU 51 4.454 11.301 1.340 245 HG3 GLU 51 HG3 GLU 51 5.101 12.536 2.404 246 H VAL 52 H VAL 52 7.631 11.082 -1.514 247 HA VAL 52 HA VAL 52 9.263 13.039 -2.702 248 HB VAL 52 HB VAL 52 10.532 11.246 -3.743 249 HG11 VAL 52 HG11 VAL 52 9.894 10.663 -0.826 250 HG12 VAL 52 HG12 VAL 52 11.427 10.354 -1.657 251 HG13 VAL 52 HG13 VAL 52 10.909 12.026 -1.378 252 HG21 VAL 52 HG21 VAL 52 8.901 9.516 -4.209 253 HG22 VAL 52 HG22 VAL 52 10.204 8.921 -3.200 254 HG23 VAL 52 HG23 VAL 52 8.665 9.351 -2.443 255 H MET 53 H MET 53 7.273 10.669 -4.434 256 HA MET 53 HA MET 53 7.709 11.903 -6.962 257 HB2 MET 53 HB2 MET 53 6.211 10.467 -7.913 258 HB3 MET 53 HB3 MET 53 6.871 9.558 -6.561 259 HG2 MET 53 HG2 MET 53 4.817 10.215 -5.223 260 HG3 MET 53 HG3 MET 53 4.163 10.973 -6.670 261 HE1 MET 53 HE1 MET 53 3.556 9.765 -8.872 262 HE2 MET 53 HE2 MET 53 5.060 8.821 -9.003 263 HE3 MET 53 HE3 MET 53 3.495 8.003 -9.069 264 H HIS 54 H HIS 54 5.557 13.042 -4.431 265 HA HIS 54 HA HIS 54 3.859 14.630 -6.232 266 HB2 HIS 54 HB2 HIS 54 3.081 14.029 -3.979 267 HB3 HIS 54 HB3 HIS 54 4.415 14.923 -3.252 268 HD2 HIS 54 HD2 HIS 54 4.242 17.561 -3.109 269 HE1 HIS 54 HE1 HIS 54 0.405 18.028 -4.914 270 HE2 HIS 54 HE2 HIS 54 2.274 19.221 -3.656 271 H TYR 55 H TYR 55 6.866 15.154 -4.347 272 HA TYR 55 HA TYR 55 7.253 17.838 -5.251 273 HB2 TYR 55 HB2 TYR 55 9.405 15.844 -4.539 274 HB3 TYR 55 HB3 TYR 55 9.566 17.595 -4.585 275 HD1 TYR 55 HD2 TYR 55 7.379 18.724 -3.135 276 HD2 TYR 55 HD1 TYR 55 9.519 15.079 -2.352 277 HE1 TYR 55 HE2 TYR 55 6.639 18.804 -0.759 278 HE2 TYR 55 HE1 TYR 55 8.831 15.171 0.012 279 HH TYR 55 HH TYR 55 7.599 16.318 1.630 280 H LEU 56 H LEU 56 7.890 14.755 -6.964 281 HA LEU 56 HA LEU 56 9.432 15.990 -9.107 282 HB2 LEU 56 HB2 LEU 56 7.548 13.617 -9.316 283 HB3 LEU 56 HB3 LEU 56 8.777 14.090 -10.472 284 HG LEU 56 HG LEU 56 9.379 13.131 -7.657 285 HD11 LEU 56 HD11 LEU 56 9.479 11.659 -10.314 286 HD12 LEU 56 HD12 LEU 56 9.931 11.004 -8.705 287 HD13 LEU 56 HD13 LEU 56 8.252 11.415 -9.074 288 HD21 LEU 56 HD21 LEU 56 11.662 12.789 -8.566 289 HD22 LEU 56 HD22 LEU 56 11.143 13.568 -10.081 290 HD23 LEU 56 HD23 LEU 56 11.186 14.494 -8.563 291 H GLY 57 H GLY 57 5.920 15.267 -8.706 292 HA2 GLY 57 HA2 GLY 57 5.010 16.364 -11.137 293 HA3 GLY 57 HA3 GLY 57 4.080 16.264 -9.631 294 H GLN 58 H GLN 58 5.270 18.030 -7.929 295 HA GLN 58 HA GLN 58 4.582 20.587 -9.029 296 HB2 GLN 58 HB2 GLN 58 4.704 21.409 -6.950 297 HB3 GLN 58 HB3 GLN 58 4.605 19.702 -6.541 298 HG2 GLN 58 HG2 GLN 58 7.180 19.746 -6.398 299 HG3 GLN 58 HG3 GLN 58 7.098 21.481 -6.605 300 HE21 GLN 58 HE22 GLN 58 7.875 22.051 -4.474 301 HE22 GLN 58 HE21 GLN 58 7.075 21.531 -3.012 302 H TYR 59 H TYR 59 7.778 18.975 -8.674 303 HA TYR 59 HA TYR 59 9.403 21.198 -9.291 304 HB2 TYR 59 HB2 TYR 59 10.316 19.073 -8.487 305 HB3 TYR 59 HB3 TYR 59 9.794 18.249 -9.925 306 HD1 TYR 59 HD1 TYR 59 10.905 18.636 -12.092 307 HD2 TYR 59 HD2 TYR 59 12.277 20.577 -8.495 308 HE1 TYR 59 HE1 TYR 59 13.171 18.888 -13.100 309 HE2 TYR 59 HE2 TYR 59 14.545 20.793 -9.499 310 HH TYR 59 HH TYR 59 15.377 19.444 -12.665 311 H ILE 60 H ILE 60 7.964 18.669 -11.457 312 HA ILE 60 HA ILE 60 8.896 19.791 -13.925 313 HB ILE 60 HB ILE 60 6.483 18.070 -13.260 314 HG12 ILE 60 HG12 ILE 60 9.008 17.060 -14.613 315 HG13 ILE 60 HG13 ILE 60 8.985 17.239 -12.863 316 HG21 ILE 60 HG21 ILE 60 5.977 18.975 -15.375 317 HG22 ILE 60 HG22 ILE 60 7.652 18.853 -15.958 318 HG23 ILE 60 HG23 ILE 60 6.654 17.394 -15.733 319 HD11 ILE 60 HD11 ILE 60 7.071 15.535 -14.487 320 HD12 ILE 60 HD12 ILE 60 8.311 15.002 -13.328 321 HD13 ILE 60 HD13 ILE 60 6.878 15.883 -12.760 322 H MET 61 H MET 61 5.843 20.283 -12.110 323 HA MET 61 HA MET 61 4.589 22.060 -13.909 324 HB2 MET 61 HB2 MET 61 3.660 20.834 -11.933 325 HB3 MET 61 HB3 MET 61 4.364 22.063 -10.881 326 HG2 MET 61 HG2 MET 61 2.358 22.581 -13.117 327 HG3 MET 61 HG3 MET 61 1.933 22.353 -11.429 328 HE1 MET 61 HE1 MET 61 3.035 24.739 -14.169 329 HE2 MET 61 HE2 MET 61 1.356 24.887 -13.601 330 HE3 MET 61 HE3 MET 61 2.486 26.245 -13.397 331 H VAL 62 H VAL 62 6.752 22.938 -11.112 332 HA VAL 62 HA VAL 62 6.736 25.737 -11.809 333 HB VAL 62 HB VAL 62 7.144 24.857 -9.541 334 HG11 VAL 62 HG11 VAL 62 8.804 23.106 -9.974 335 HG12 VAL 62 HG12 VAL 62 10.012 24.328 -10.422 336 HG13 VAL 62 HG13 VAL 62 9.362 24.257 -8.773 337 HG21 VAL 62 HG21 VAL 62 7.680 27.194 -10.152 338 HG22 VAL 62 HG22 VAL 62 8.757 26.554 -8.892 339 HG23 VAL 62 HG23 VAL 62 9.339 26.685 -10.567 340 H LYS 63 H LYS 63 9.114 23.163 -12.484 341 HA LYS 63 HA LYS 63 10.885 24.833 -14.054 342 HB2 LYS 63 HB2 LYS 63 10.552 21.816 -13.918 343 HB3 LYS 63 HB3 LYS 63 11.874 22.644 -14.738 344 HG2 LYS 63 HG2 LYS 63 11.348 22.755 -11.757 345 HG3 LYS 63 HG3 LYS 63 12.573 21.810 -12.602 346 HD2 LYS 63 HD2 LYS 63 13.496 24.081 -13.452 347 HD3 LYS 63 HD3 LYS 63 12.404 24.815 -12.264 348 HE2 LYS 63 HE2 LYS 63 14.298 24.616 -10.970 349 HE3 LYS 63 HE3 LYS 63 13.463 23.104 -10.575 350 HZ1 LYS 63 HZ1 LYS 63 15.636 23.387 -12.626 351 HZ2 LYS 63 HZ2 LYS 63 15.870 22.793 -11.130 352 HZ3 LYS 63 HZ3 LYS 63 14.952 21.964 -12.193 353 H GLN 64 H GLN 64 7.851 23.543 -14.920 354 HA GLN 64 HA GLN 64 6.784 22.911 -16.667 355 HB2 GLN 64 HB2 GLN 64 6.498 24.456 -18.521 356 HB3 GLN 64 HB3 GLN 64 6.317 25.166 -16.928 357 HG2 GLN 64 HG2 GLN 64 9.069 25.417 -17.710 358 HG3 GLN 64 HG3 GLN 64 8.090 25.942 -19.066 359 HE21 GLN 64 HE22 GLN 64 8.271 26.342 -15.434 360 HE22 GLN 64 HE21 GLN 64 7.765 27.996 -15.461 361 H LEU 65 H LEU 65 8.171 21.048 -16.567 362 HA LEU 65 HA LEU 65 9.899 20.745 -18.934 363 HB2 LEU 65 HB2 LEU 65 9.712 18.928 -16.493 364 HB3 LEU 65 HB3 LEU 65 10.720 18.653 -17.882 365 HG LEU 65 HG LEU 65 11.014 20.849 -15.843 366 HD11 LEU 65 HD11 LEU 65 11.762 18.597 -15.179 367 HD12 LEU 65 HD12 LEU 65 12.860 18.571 -16.586 368 HD13 LEU 65 HD13 LEU 65 13.086 19.767 -15.298 369 HD21 LEU 65 HD21 LEU 65 13.122 21.452 -17.042 370 HD22 LEU 65 HD22 LEU 65 12.653 20.362 -18.368 371 HD23 LEU 65 HD23 LEU 65 11.684 21.808 -18.002 372 H TYR 66 H TYR 66 7.066 20.962 -19.275 373 HA TYR 66 HA TYR 66 6.503 18.237 -20.269 374 HB2 TYR 66 HB2 TYR 66 4.099 18.542 -19.800 375 HB3 TYR 66 HB3 TYR 66 5.118 18.394 -18.381 376 HD1 TYR 66 HD2 TYR 66 5.622 20.303 -16.996 377 HD2 TYR 66 HD1 TYR 66 2.849 20.626 -20.249 378 HE1 TYR 66 HE2 TYR 66 4.753 22.487 -16.048 379 HE2 TYR 66 HE1 TYR 66 2.138 22.869 -19.447 380 HH TYR 66 HH TYR 66 2.297 24.440 -17.761 381 H ASP 67 H ASP 67 4.970 18.074 -22.073 382 HA ASP 67 HA ASP 67 5.588 20.041 -24.136 383 HB2 ASP 67 HB2 ASP 67 5.283 17.498 -24.405 384 HB3 ASP 67 HB3 ASP 67 3.547 17.824 -24.291 385 H GLN 68 H GLN 68 4.422 21.812 -24.652 386 HA GLN 68 HA GLN 68 2.092 22.852 -23.637 387 HB2 GLN 68 HB2 GLN 68 1.741 23.732 -25.948 388 HB3 GLN 68 HB3 GLN 68 3.123 24.320 -24.980 389 HG2 GLN 68 HG2 GLN 68 3.219 22.133 -26.969 390 HG3 GLN 68 HG3 GLN 68 3.330 23.814 -27.498 391 HE21 GLN 68 HE22 GLN 68 5.080 21.083 -26.572 392 HE22 GLN 68 HE21 GLN 68 6.650 21.881 -26.322 393 H GLN 69 H GLN 69 2.361 20.633 -26.300 394 HA GLN 69 HA GLN 69 -0.440 20.545 -26.958 395 HB2 GLN 69 HB2 GLN 69 1.932 18.924 -27.914 396 HB3 GLN 69 HB3 GLN 69 0.333 18.829 -28.626 397 HG2 GLN 69 HG2 GLN 69 0.465 20.846 -29.689 398 HG3 GLN 69 HG3 GLN 69 1.412 21.614 -28.430 399 HE21 GLN 69 HE22 GLN 69 3.745 20.275 -28.187 400 HE22 GLN 69 HE21 GLN 69 4.578 20.307 -29.741 401 H GLU 70 H GLU 70 1.518 18.770 -24.770 402 HA GLU 70 HA GLU 70 -0.634 16.874 -24.069 403 HB2 GLU 70 HB2 GLU 70 2.063 15.911 -25.118 404 HB3 GLU 70 HB3 GLU 70 1.035 14.963 -24.041 405 HG2 GLU 70 HG2 GLU 70 -0.851 15.293 -25.754 406 HG3 GLU 70 HG3 GLU 70 0.413 15.829 -26.869 407 H GLN 71 H GLN 71 -0.690 18.181 -22.223 408 HA GLN 71 HA GLN 71 1.508 19.022 -20.693 409 HB2 GLN 71 HB2 GLN 71 -1.345 18.417 -19.902 410 HB3 GLN 71 HB3 GLN 71 -0.256 19.436 -18.946 411 HG2 GLN 71 HG2 GLN 71 -1.295 20.064 -21.765 412 HG3 GLN 71 HG3 GLN 71 -1.920 20.677 -20.244 413 HE21 GLN 71 HE22 GLN 71 1.192 20.750 -22.163 414 HE22 GLN 71 HE21 GLN 71 1.508 22.384 -21.603 415 H HIS 72 H HIS 72 -0.268 15.986 -20.437 416 HA HIS 72 HA HIS 72 0.947 14.985 -18.029 417 HB2 HIS 72 HB2 HIS 72 -0.236 12.888 -18.918 418 HB3 HIS 72 HB3 HIS 72 -1.256 14.297 -18.699 419 HD2 HIS 72 HD2 HIS 72 0.410 12.160 -21.426 420 HE1 HIS 72 HE1 HIS 72 -2.161 14.929 -23.437 421 HE2 HIS 72 HE2 HIS 72 -0.602 12.923 -23.774 422 H MET 73 H MET 73 2.354 15.457 -21.095 423 HA MET 73 HA MET 73 4.178 13.113 -20.835 424 HB2 MET 73 HB2 MET 73 2.772 13.852 -23.012 425 HB3 MET 73 HB3 MET 73 4.189 14.863 -23.267 426 HG2 MET 73 HG2 MET 73 4.012 11.846 -22.975 427 HG3 MET 73 HG3 MET 73 4.419 12.745 -24.427 428 HE1 MET 73 HE1 MET 73 6.755 14.005 -24.799 429 HE2 MET 73 HE2 MET 73 6.582 14.897 -23.270 430 HE3 MET 73 HE3 MET 73 8.074 14.003 -23.606 431 H VAL 74 H VAL 74 6.230 13.448 -20.189 432 HA VAL 74 HA VAL 74 7.017 16.242 -19.470 433 HB VAL 74 HB VAL 74 7.955 13.606 -18.279 434 HG11 VAL 74 HG11 VAL 74 8.118 16.456 -17.222 435 HG12 VAL 74 HG12 VAL 74 8.745 15.004 -16.436 436 HG13 VAL 74 HG13 VAL 74 9.463 15.563 -17.948 437 HG21 VAL 74 HG21 VAL 74 6.474 14.180 -16.352 438 HG22 VAL 74 HG22 VAL 74 5.772 15.509 -17.303 439 HG23 VAL 74 HG23 VAL 74 5.553 13.817 -17.804 440 H TYR 75 H TYR 75 8.886 17.057 -20.269 441 HA TYR 75 HA TYR 75 10.892 15.380 -21.721 442 HB2 TYR 75 HB2 TYR 75 9.858 18.164 -22.287 443 HB3 TYR 75 HB3 TYR 75 11.455 17.642 -22.812 444 HD1 TYR 75 HD1 TYR 75 11.535 15.214 -23.901 445 HD2 TYR 75 HD2 TYR 75 8.169 17.916 -23.963 446 HE1 TYR 75 HE1 TYR 75 10.654 14.060 -25.892 447 HE2 TYR 75 HE2 TYR 75 7.329 16.811 -26.030 448 HH TYR 75 HH TYR 75 7.664 15.146 -27.588 449 H CYS 76 H CYS 76 12.364 15.026 -20.107 450 HA CYS 76 HA CYS 76 13.361 17.265 -18.413 451 HB2 CYS 76 HB2 CYS 76 13.538 14.244 -18.091 452 HB3 CYS 76 HB3 CYS 76 14.325 15.419 -17.024 453 HG CYS 76 HG CYS 76 12.176 16.724 -16.316 454 H GLY 77 H GLY 77 14.279 16.359 -21.348 455 HA2 GLY 77 HA2 GLY 77 16.933 15.474 -21.231 456 HA3 GLY 77 HA3 GLY 77 16.291 16.514 -22.503 457 H GLY 78 H GLY 78 18.734 16.262 -20.378 458 HA2 GLY 78 HA2 GLY 78 20.451 17.729 -19.871 459 HA3 GLY 78 HA3 GLY 78 19.502 19.082 -20.478 460 H ASP 79 H ASP 79 17.531 17.509 -18.222 461 HA ASP 79 HA ASP 79 18.196 19.491 -16.118 462 HB2 ASP 79 HB2 ASP 79 15.848 19.131 -17.046 463 HB3 ASP 79 HB3 ASP 79 15.851 17.571 -16.229 464 H LEU 80 H LEU 80 18.192 18.820 -13.798 465 HA LEU 80 HA LEU 80 19.867 16.593 -13.145 466 HB2 LEU 80 HB2 LEU 80 18.892 18.805 -11.782 467 HB3 LEU 80 HB3 LEU 80 17.865 17.536 -11.135 468 HG LEU 80 HG LEU 80 19.713 17.888 -9.667 469 HD11 LEU 80 HD11 LEU 80 19.059 15.512 -9.925 470 HD12 LEU 80 HD12 LEU 80 20.341 15.309 -11.140 471 HD13 LEU 80 HD13 LEU 80 20.754 15.720 -9.468 472 HD21 LEU 80 HD21 LEU 80 21.282 18.915 -11.261 473 HD22 LEU 80 HD22 LEU 80 22.053 17.654 -10.285 474 HD23 LEU 80 HD23 LEU 80 21.614 17.321 -11.970 475 H LEU 81 H LEU 81 16.278 17.033 -12.971 476 HA LEU 81 HA LEU 81 15.695 14.416 -12.154 477 HB2 LEU 81 HB2 LEU 81 14.089 16.244 -12.130 478 HB3 LEU 81 HB3 LEU 81 14.114 16.354 -13.885 479 HG LEU 81 HG LEU 81 12.976 14.243 -14.137 480 HD11 LEU 81 HD11 LEU 81 13.889 12.888 -12.315 481 HD12 LEU 81 HD12 LEU 81 13.142 13.955 -11.113 482 HD13 LEU 81 HD13 LEU 81 12.139 12.947 -12.186 483 HD21 LEU 81 HD21 LEU 81 10.840 14.776 -13.064 484 HD22 LEU 81 HD22 LEU 81 11.657 15.870 -11.923 485 HD23 LEU 81 HD23 LEU 81 11.612 16.254 -13.658 486 H GLY 82 H GLY 82 16.380 15.577 -15.453 487 HA2 GLY 82 HA2 GLY 82 15.767 13.112 -16.842 488 HA3 GLY 82 HA3 GLY 82 16.802 14.427 -17.415 489 H GLU 83 H GLU 83 18.768 14.410 -15.314 490 HA GLU 83 HA GLU 83 20.472 12.269 -16.155 491 HB2 GLU 83 HB2 GLU 83 21.991 13.654 -15.437 492 HB3 GLU 83 HB3 GLU 83 20.750 14.726 -14.797 493 HG2 GLU 83 HG2 GLU 83 20.851 13.616 -12.627 494 HG3 GLU 83 HG3 GLU 83 22.012 12.439 -13.247 495 H LEU 84 H LEU 84 18.508 12.713 -13.191 496 HA LEU 84 HA LEU 84 19.205 10.272 -11.930 497 HB2 LEU 84 HB2 LEU 84 18.062 12.108 -10.787 498 HB3 LEU 84 HB3 LEU 84 16.703 12.004 -11.902 499 HG LEU 84 HG LEU 84 16.197 9.696 -11.029 500 HD11 LEU 84 HD11 LEU 84 17.175 9.062 -8.843 501 HD12 LEU 84 HD12 LEU 84 18.416 9.128 -10.105 502 HD13 LEU 84 HD13 LEU 84 18.281 10.458 -8.936 503 HD21 LEU 84 HD21 LEU 84 15.126 10.482 -9.043 504 HD22 LEU 84 HD22 LEU 84 16.236 11.871 -8.933 505 HD23 LEU 84 HD23 LEU 84 15.052 11.757 -10.261 506 H LEU 85 H LEU 85 16.569 11.039 -14.192 507 HA LEU 85 HA LEU 85 15.394 8.424 -14.323 508 HB2 LEU 85 HB2 LEU 85 15.328 10.951 -16.002 509 HB3 LEU 85 HB3 LEU 85 14.561 9.522 -16.621 510 HG LEU 85 HG LEU 85 13.895 10.497 -13.859 511 HD11 LEU 85 HD11 LEU 85 11.996 11.670 -14.830 512 HD12 LEU 85 HD12 LEU 85 13.509 12.343 -15.451 513 HD13 LEU 85 HD13 LEU 85 12.561 11.254 -16.476 514 HD21 LEU 85 HD21 LEU 85 12.344 8.838 -15.902 515 HD22 LEU 85 HD22 LEU 85 13.152 8.195 -14.452 516 HD23 LEU 85 HD23 LEU 85 11.781 9.298 -14.283 517 H GLY 86 H GLY 86 18.101 9.856 -16.133 518 HA2 GLY 86 HA2 GLY 86 19.675 8.866 -17.521 519 HA3 GLY 86 HA3 GLY 86 18.932 7.282 -17.270 520 H ARG 87 H ARG 87 16.804 9.794 -18.211 521 HA ARG 87 HA ARG 87 16.784 9.345 -21.113 522 HB2 ARG 87 HB2 ARG 87 14.483 8.481 -21.178 523 HB3 ARG 87 HB3 ARG 87 15.603 7.359 -20.402 524 HG2 ARG 87 HG2 ARG 87 14.844 8.176 -18.185 525 HG3 ARG 87 HG3 ARG 87 13.611 9.175 -18.969 526 HD2 ARG 87 HD2 ARG 87 13.869 6.144 -19.011 527 HD3 ARG 87 HD3 ARG 87 12.743 7.110 -18.035 528 HE ARG 87 HE ARG 87 11.919 7.989 -20.345 529 HH11 ARG 87 HH11 ARG 87 12.817 4.619 -19.872 530 HH12 ARG 87 HH12 ARG 87 11.764 4.094 -21.156 531 HH21 ARG 87 HH22 ARG 87 10.698 7.283 -21.939 532 HH22 ARG 87 HH21 ARG 87 10.570 5.580 -22.306 533 H GLN 88 H GLN 88 15.733 10.818 -22.207 534 HA GLN 88 HA GLN 88 15.292 13.399 -20.880 535 HB2 GLN 88 HB2 GLN 88 14.871 14.108 -23.300 536 HB3 GLN 88 HB3 GLN 88 16.496 13.638 -22.815 537 HG2 GLN 88 HG2 GLN 88 15.837 12.873 -25.097 538 HG3 GLN 88 HG3 GLN 88 16.393 11.588 -24.035 539 HE21 GLN 88 HE22 GLN 88 13.327 13.147 -25.220 540 HE22 GLN 88 HE21 GLN 88 12.365 11.697 -24.918 541 H SER 89 H SER 89 13.162 10.857 -21.625 542 HA SER 89 HA SER 89 10.956 12.568 -20.741 543 HB2 SER 89 HB2 SER 89 9.450 12.213 -22.651 544 HB3 SER 89 HB3 SER 89 10.901 13.078 -23.156 545 HG SER 89 HG SER 89 10.043 11.155 -24.457 546 H PHE 90 H PHE 90 9.008 11.682 -20.309 547 HA PHE 90 HA PHE 90 8.363 8.858 -20.437 548 HB2 PHE 90 HB2 PHE 90 8.179 8.457 -18.072 549 HB3 PHE 90 HB3 PHE 90 9.843 8.865 -18.442 550 HD1 PHE 90 HD2 PHE 90 10.695 11.204 -17.943 551 HD2 PHE 90 HD1 PHE 90 6.863 9.801 -16.545 552 HE1 PHE 90 HE2 PHE 90 10.660 13.002 -16.276 553 HE2 PHE 90 HE1 PHE 90 6.793 11.622 -14.879 554 HZ PHE 90 HZ PHE 90 8.733 13.192 -14.649 555 H SER 91 H SER 91 6.095 8.618 -19.380 556 HA SER 91 HA SER 91 4.570 11.202 -19.530 557 HB2 SER 91 HB2 SER 91 4.311 9.978 -21.620 558 HB3 SER 91 HB3 SER 91 3.797 8.529 -20.735 559 HG SER 91 HG SER 91 2.077 9.969 -21.579 560 H VAL 92 H VAL 92 2.772 11.387 -18.310 561 HA VAL 92 HA VAL 92 2.441 10.017 -15.788 562 HB VAL 92 HB VAL 92 0.790 11.757 -17.568 563 HG11 VAL 92 HG11 VAL 92 -0.888 10.546 -16.314 564 HG12 VAL 92 HG12 VAL 92 -0.117 11.069 -14.786 565 HG13 VAL 92 HG13 VAL 92 -0.826 12.253 -15.924 566 HG21 VAL 92 HG21 VAL 92 1.194 13.541 -15.968 567 HG22 VAL 92 HG22 VAL 92 2.056 12.416 -14.902 568 HG23 VAL 92 HG23 VAL 92 2.732 12.842 -16.480 569 H LYS 93 H LYS 93 1.402 9.322 -19.078 570 HA LYS 93 HA LYS 93 -0.510 7.186 -18.356 571 HB2 LYS 93 HB2 LYS 93 0.724 7.958 -21.036 572 HB3 LYS 93 HB3 LYS 93 -0.595 6.827 -20.803 573 HG2 LYS 93 HG2 LYS 93 -0.705 9.825 -20.278 574 HG3 LYS 93 HG3 LYS 93 -1.412 8.942 -21.633 575 HD2 LYS 93 HD2 LYS 93 -2.733 7.603 -19.844 576 HD3 LYS 93 HD3 LYS 93 -2.275 8.882 -18.716 577 HE2 LYS 93 HE2 LYS 93 -3.813 9.222 -21.341 578 HE3 LYS 93 HE3 LYS 93 -4.533 9.186 -19.734 579 HZ1 LYS 93 HZ1 LYS 93 -3.283 11.226 -19.196 580 HZ2 LYS 93 HZ2 LYS 93 -2.666 11.285 -20.724 581 HZ3 LYS 93 HZ3 LYS 93 -4.264 11.457 -20.475 582 H ASP 94 H ASP 94 2.883 7.361 -18.563 583 HA ASP 94 HA ASP 94 3.178 4.424 -18.510 584 HB2 ASP 94 HB2 ASP 94 3.400 5.051 -20.889 585 HB3 ASP 94 HB3 ASP 94 4.663 6.210 -20.478 586 HA PRO 95 HA PRO 95 5.612 7.105 -15.558 587 HB2 PRO 95 HB2 PRO 95 4.541 6.475 -13.192 588 HB3 PRO 95 HB3 PRO 95 3.601 7.381 -14.409 589 HG2 PRO 95 HG2 PRO 95 3.504 4.373 -13.975 590 HG3 PRO 95 HG3 PRO 95 2.136 5.539 -13.933 591 HD2 PRO 95 HD2 PRO 95 2.805 4.199 -16.209 592 HD3 PRO 95 HD3 PRO 95 2.249 5.899 -16.246 593 H SER 96 H SER 96 5.721 3.791 -16.104 594 HA SER 96 HA SER 96 6.936 2.522 -14.061 595 HB2 SER 96 HB2 SER 96 7.698 2.253 -16.989 596 HB3 SER 96 HB3 SER 96 7.965 1.041 -15.719 597 HG SER 96 HG SER 96 6.017 0.662 -16.918 598 HA PRO 97 HA PRO 97 11.426 3.620 -15.104 599 HB2 PRO 97 HB2 PRO 97 12.153 6.023 -16.181 600 HB3 PRO 97 HB3 PRO 97 11.774 4.569 -17.157 601 HG2 PRO 97 HG2 PRO 97 9.922 6.874 -16.462 602 HG3 PRO 97 HG3 PRO 97 10.225 6.149 -18.076 603 HD2 PRO 97 HD2 PRO 97 8.099 5.442 -16.633 604 HD3 PRO 97 HD3 PRO 97 9.005 4.198 -17.532 605 H LEU 98 H LEU 98 9.201 6.118 -13.897 606 HA LEU 98 HA LEU 98 11.145 7.477 -12.272 607 HB2 LEU 98 HB2 LEU 98 9.426 8.833 -11.696 608 HB3 LEU 98 HB3 LEU 98 8.686 8.084 -13.083 609 HG LEU 98 HG LEU 98 7.547 6.475 -11.374 610 HD11 LEU 98 HD11 LEU 98 8.198 8.842 -9.546 611 HD12 LEU 98 HD12 LEU 98 7.115 7.485 -9.173 612 HD13 LEU 98 HD13 LEU 98 8.846 7.209 -9.328 613 HD21 LEU 98 HD21 LEU 98 6.801 9.420 -11.485 614 HD22 LEU 98 HD22 LEU 98 6.409 8.194 -12.710 615 HD23 LEU 98 HD23 LEU 98 5.721 8.058 -11.092 616 H TYR 99 H TYR 99 8.818 4.833 -11.519 617 HA TYR 99 HA TYR 99 9.601 4.571 -8.822 618 HB2 TYR 99 HB2 TYR 99 8.539 2.437 -10.731 619 HB3 TYR 99 HB3 TYR 99 8.489 2.369 -8.972 620 HD1 TYR 99 HD2 TYR 99 7.136 4.198 -7.711 621 HD2 TYR 99 HD1 TYR 99 6.827 3.554 -11.975 622 HE1 TYR 99 HE2 TYR 99 4.917 5.332 -7.735 623 HE2 TYR 99 HE1 TYR 99 4.629 4.650 -11.976 624 HH TYR 99 HH TYR 99 2.915 5.535 -10.709 625 H ASP 100 H ASP 100 11.080 3.296 -11.755 626 HA ASP 100 HA ASP 100 12.905 1.448 -10.445 627 HB2 ASP 100 HB2 ASP 100 12.019 1.462 -12.839 628 HB3 ASP 100 HB3 ASP 100 13.235 2.684 -13.159 629 H MET 101 H MET 101 13.081 4.792 -11.605 630 HA MET 101 HA MET 101 15.823 5.239 -10.830 631 HB2 MET 101 HB2 MET 101 15.580 7.313 -11.603 632 HB3 MET 101 HB3 MET 101 14.048 6.736 -12.242 633 HG2 MET 101 HG2 MET 101 13.077 7.478 -9.952 634 HG3 MET 101 HG3 MET 101 14.571 8.353 -9.729 635 HE1 MET 101 HE1 MET 101 12.289 10.093 -9.284 636 HE2 MET 101 HE2 MET 101 11.249 10.529 -10.658 637 HE3 MET 101 HE3 MET 101 11.233 8.866 -10.024 638 H LEU 102 H LEU 102 12.848 5.085 -8.930 639 HA LEU 102 HA LEU 102 14.124 6.193 -6.518 640 HB2 LEU 102 HB2 LEU 102 11.481 4.702 -6.782 641 HB3 LEU 102 HB3 LEU 102 12.098 5.494 -5.347 642 HG LEU 102 HG LEU 102 11.178 6.832 -7.907 643 HD11 LEU 102 HD11 LEU 102 9.400 6.029 -6.411 644 HD12 LEU 102 HD12 LEU 102 10.108 6.961 -5.068 645 HD13 LEU 102 HD13 LEU 102 9.443 7.797 -6.491 646 HD21 LEU 102 HD21 LEU 102 13.003 8.171 -7.138 647 HD22 LEU 102 HD22 LEU 102 11.504 8.991 -6.701 648 HD23 LEU 102 HD23 LEU 102 12.416 8.117 -5.450 649 H ARG 103 H ARG 103 13.205 2.938 -7.789 650 HA ARG 103 HA ARG 103 13.667 1.343 -5.704 651 HB2 ARG 103 HB2 ARG 103 14.488 0.929 -8.595 652 HB3 ARG 103 HB3 ARG 103 14.777 -0.338 -7.408 653 HG2 ARG 103 HG2 ARG 103 12.312 -0.362 -6.893 654 HG3 ARG 103 HG3 ARG 103 12.078 0.738 -8.265 655 HD2 ARG 103 HD2 ARG 103 13.239 -0.901 -9.742 656 HD3 ARG 103 HD3 ARG 103 13.303 -2.033 -8.392 657 HE ARG 103 HE ARG 103 10.799 -1.928 -8.323 658 HH11 ARG 103 HH11 ARG 103 12.339 -1.226 -11.455 659 HH12 ARG 103 HH12 ARG 103 10.914 -1.756 -12.307 660 HH21 ARG 103 HH21 ARG 103 9.067 -2.531 -9.528 661 HH22 ARG 103 HH22 ARG 103 9.128 -2.447 -11.263 662 H LYS 104 H LYS 104 16.346 2.546 -7.639 663 HA LYS 104 HA LYS 104 18.376 1.409 -5.816 664 HB2 LYS 104 HB2 LYS 104 19.871 2.019 -7.831 665 HB3 LYS 104 HB3 LYS 104 18.848 0.605 -7.868 666 HG2 LYS 104 HG2 LYS 104 18.914 1.819 -10.010 667 HG3 LYS 104 HG3 LYS 104 17.302 1.614 -9.367 668 HD2 LYS 104 HD2 LYS 104 17.554 3.824 -10.360 669 HD3 LYS 104 HD3 LYS 104 17.209 3.939 -8.647 670 HE2 LYS 104 HE2 LYS 104 18.837 5.606 -9.200 671 HE3 LYS 104 HE3 LYS 104 19.612 4.402 -8.176 672 HZ1 LYS 104 HZ1 LYS 104 19.869 4.521 -11.159 673 HZ2 LYS 104 HZ2 LYS 104 21.015 5.008 -10.110 674 HZ3 LYS 104 HZ3 LYS 104 20.628 3.431 -10.207 675 H ASN 105 H ASN 105 16.914 4.355 -6.005 676 HA ASN 105 HA ASN 105 19.379 5.853 -5.061 677 HB2 ASN 105 HB2 ASN 105 17.860 6.537 -7.201 678 HB3 ASN 105 HB3 ASN 105 16.910 7.302 -5.903 679 HD21 ASN 105 HD22 ASN 105 20.356 6.845 -6.909 680 HD22 ASN 105 HD21 ASN 105 20.818 8.462 -6.461 681 H LEU 106 H LEU 106 16.077 4.936 -4.420 682 HA LEU 106 HA LEU 106 16.218 5.969 -1.612 683 HB2 LEU 106 HB2 LEU 106 14.912 7.488 -2.838 684 HB3 LEU 106 HB3 LEU 106 14.118 6.214 -3.769 685 HG LEU 106 HG LEU 106 12.838 5.514 -1.818 686 HD11 LEU 106 HD11 LEU 106 12.776 6.886 0.229 687 HD12 LEU 106 HD12 LEU 106 14.441 6.318 0.008 688 HD13 LEU 106 HD13 LEU 106 14.003 7.979 -0.426 689 HD21 LEU 106 HD21 LEU 106 11.871 7.124 -3.316 690 HD22 LEU 106 HD22 LEU 106 11.401 7.512 -1.653 691 HD23 LEU 106 HD23 LEU 106 12.667 8.470 -2.464 692 H VAL 107 H VAL 107 16.125 4.393 -0.261 693 HA VAL 107 HA VAL 107 15.318 1.717 -1.043 694 HB VAL 107 HB VAL 107 17.314 2.236 0.330 695 HG11 VAL 107 HG11 VAL 107 17.104 2.480 2.747 696 HG12 VAL 107 HG12 VAL 107 16.307 3.828 1.928 697 HG13 VAL 107 HG13 VAL 107 15.335 2.507 2.625 698 HG21 VAL 107 HG21 VAL 107 16.421 -0.068 0.140 699 HG22 VAL 107 HG22 VAL 107 17.254 0.244 1.671 700 HG23 VAL 107 HG23 VAL 107 15.484 0.191 1.630 701 H THR 108 H THR 108 13.670 4.167 0.397 702 HA THR 108 HA THR 108 11.661 4.535 1.401 703 HB THR 108 HB THR 108 11.131 4.091 -0.912 704 HG1 THR 108 HG1 THR 108 8.920 3.979 -0.528 705 HG21 THR 108 HG21 THR 108 11.433 1.730 -1.266 706 HG22 THR 108 HG22 THR 108 10.272 1.328 0.018 707 HG23 THR 108 HG23 THR 108 9.723 2.101 -1.482 708 H LEU 109 H LEU 109 9.428 3.102 2.059 709 HA LEU 109 HA LEU 109 10.035 2.063 4.673 710 HB2 LEU 109 HB2 LEU 109 7.944 3.140 4.037 711 HB3 LEU 109 HB3 LEU 109 7.544 1.770 2.988 712 HG LEU 109 HG LEU 109 7.351 0.266 4.885 713 HD11 LEU 109 HD11 LEU 109 7.538 1.107 7.240 714 HD12 LEU 109 HD12 LEU 109 9.096 1.040 6.423 715 HD13 LEU 109 HD13 LEU 109 8.273 2.605 6.625 716 HD21 LEU 109 HD21 LEU 109 6.068 2.952 5.478 717 HD22 LEU 109 HD22 LEU 109 5.457 1.750 4.316 718 HD23 LEU 109 HD23 LEU 109 5.485 1.366 6.050 719 H ALA 110 H ALA 110 9.006 0.474 1.670 720 HA ALA 110 HA ALA 110 9.232 -1.529 0.752 721 HB1 ALA 110 HB1 ALA 110 11.559 -0.703 0.828 722 HB2 ALA 110 HB2 ALA 110 11.834 -1.610 2.325 723 HB3 ALA 110 HB3 ALA 110 11.480 -2.471 0.810 724 H THR 111 H THR 111 10.041 -3.997 1.236 725 HA THR 111 HA THR 111 8.647 -5.032 3.645 726 HB THR 111 HB THR 111 6.992 -4.657 1.861 727 HG1 THR 111 HG1 THR 111 6.086 -6.706 2.118 728 HG21 THR 111 HG21 THR 111 8.412 -6.872 0.315 729 HG22 THR 111 HG22 THR 111 6.861 -6.110 -0.090 730 HG23 THR 111 HG23 THR 111 8.349 -5.158 -0.157 731 HD1 48M 200 HD1 48M 200 2.901 14.806 -12.931 732 HD2 48M 200 HD2 48M 200 3.338 12.799 -9.138 733 HD3 48M 200 HD3 48M 200 0.031 10.396 -9.731 734 HD4 48M 200 HD4 48M 200 2.479 12.065 -12.823 735 HD5 48M 200 HD5 48M 200 -1.975 13.488 -13.948 736 HE1 48M 200 HE1 48M 200 5.191 14.129 -13.544 737 HE2 48M 200 HE2 48M 200 5.617 12.117 -9.777 738 HE3 48M 200 HE3 48M 200 1.089 8.190 -10.107 739 HE5 48M 200 HE5 48M 200 -2.937 14.421 -15.989 740 HE6 48M 200 HE6 48M 200 -0.052 17.586 -15.941 741 HZ2 48M 200 HZ2 48M 200 2.907 7.950 -11.789 742 HM21 48M 200 HM21 48M 200 3.443 15.652 -15.079 743 HM22 48M 200 HM22 48M 200 2.219 16.060 -16.289 744 HM23 48M 200 HM23 48M 200 3.699 17.015 -16.180 745 HM31 48M 200 HM31 48M 200 3.822 17.195 -13.083 746 HM32 48M 200 HM32 48M 200 4.022 18.623 -14.115 747 HM33 48M 200 HM33 48M 200 2.795 18.616 -12.849 748 HN1 48M 200 HN1 48M 200 -2.831 19.608 -12.752 749 H21 48M 200 H21 48M 200 -3.526 17.417 -12.027 750 H22 48M 200 H22 48M 200 -2.274 17.122 -13.242 751 H31 48M 200 H31 48M 200 -1.998 17.076 -10.215 752 H32 48M 200 H32 48M 200 -1.765 15.733 -11.314 753 H41 48M 200 H41 48M 200 0.934 18.971 -11.569 754 H42 48M 200 H42 48M 200 -0.014 18.938 -10.065 755 H7 48M 200 H7 48M 200 -0.146 12.688 -10.134 756 H8 48M 200 H8 48M 200 1.359 14.265 -9.616 757 H9 48M 200 H9 48M 200 1.793 18.264 -15.118 Start of MODEL 12 1 H1 GLN 23 H GLN 23 3.109 14.616 11.865 2 HA GLN 23 HA GLN 23 5.963 15.117 12.087 3 HB2 GLN 23 HB2 GLN 23 4.640 13.240 14.096 4 HB3 GLN 23 HB3 GLN 23 6.380 13.348 13.803 5 HG2 GLN 23 HG2 GLN 23 6.361 15.734 14.506 6 HG3 GLN 23 HG3 GLN 23 4.631 15.621 14.848 7 HE21 GLN 23 HE22 GLN 23 3.940 14.056 16.595 8 HE22 GLN 23 HE21 GLN 23 5.094 13.715 17.878 9 H ILE 24 H ILE 24 7.260 13.483 11.237 10 HA ILE 24 HA ILE 24 5.870 11.358 9.667 11 HB ILE 24 HB ILE 24 8.214 13.144 8.898 12 HG12 ILE 24 HG12 ILE 24 5.486 12.814 7.588 13 HG13 ILE 24 HG13 ILE 24 5.913 14.145 8.665 14 HG21 ILE 24 HG21 ILE 24 7.004 10.716 7.489 15 HG22 ILE 24 HG22 ILE 24 8.103 11.844 6.692 16 HG23 ILE 24 HG23 ILE 24 8.688 10.917 8.057 17 HD11 ILE 24 HD11 ILE 24 7.755 14.786 7.057 18 HD12 ILE 24 HD12 ILE 24 7.064 13.615 5.907 19 HD13 ILE 24 HD13 ILE 24 6.097 14.985 6.457 20 H ASN 25 H ASN 25 6.755 9.393 9.469 21 HA ASN 25 HA ASN 25 9.187 8.720 11.079 22 HB2 ASN 25 HB2 ASN 25 6.725 6.979 10.741 23 HB3 ASN 25 HB3 ASN 25 8.109 6.756 11.806 24 HD21 ASN 25 HD22 ASN 25 8.159 9.482 12.935 25 HD22 ASN 25 HD21 ASN 25 6.711 9.583 13.920 26 H GLN 26 H GLN 26 9.693 9.365 8.613 27 HA GLN 26 HA GLN 26 9.843 6.907 6.906 28 HB2 GLN 26 HB2 GLN 26 9.146 9.695 6.002 29 HB3 GLN 26 HB3 GLN 26 9.450 8.311 4.962 30 HG2 GLN 26 HG2 GLN 26 7.243 8.549 6.973 31 HG3 GLN 26 HG3 GLN 26 7.105 8.614 5.225 32 HE21 GLN 26 HE22 GLN 26 8.858 6.200 4.647 33 HE22 GLN 26 HE21 GLN 26 7.875 4.875 5.241 34 H VAL 27 H VAL 27 11.210 7.639 4.878 35 HA VAL 27 HA VAL 27 13.909 8.196 6.036 36 HB VAL 27 HB VAL 27 13.280 6.332 3.718 37 HG11 VAL 27 HG11 VAL 27 15.501 5.297 4.338 38 HG12 VAL 27 HG12 VAL 27 15.643 6.906 3.677 39 HG13 VAL 27 HG13 VAL 27 15.784 6.653 5.442 40 HG21 VAL 27 HG21 VAL 27 13.694 5.684 6.675 41 HG22 VAL 27 HG22 VAL 27 12.215 5.416 5.725 42 HG23 VAL 27 HG23 VAL 27 13.660 4.474 5.376 43 H ARG 28 H ARG 28 15.614 8.953 4.765 44 HA ARG 28 HA ARG 28 14.794 11.002 2.844 45 HB2 ARG 28 HB2 ARG 28 17.013 11.916 3.126 46 HB3 ARG 28 HB3 ARG 28 16.197 11.690 4.673 47 HG2 ARG 28 HG2 ARG 28 17.583 9.790 5.235 48 HG3 ARG 28 HG3 ARG 28 18.293 9.748 3.618 49 HD2 ARG 28 HD2 ARG 28 19.845 10.723 5.208 50 HD3 ARG 28 HD3 ARG 28 19.398 11.866 3.950 51 HE ARG 28 HE ARG 28 18.300 11.865 6.758 52 HH11 ARG 28 HH11 ARG 28 19.388 13.766 4.009 53 HH12 ARG 28 HH12 ARG 28 18.970 15.282 4.781 54 HH21 ARG 28 HH21 ARG 28 17.873 13.840 7.696 55 HH22 ARG 28 HH22 ARG 28 18.144 15.314 6.793 56 HA PRO 29 HA PRO 29 16.475 8.658 -0.690 57 HB2 PRO 29 HB2 PRO 29 16.367 10.670 -2.541 58 HB3 PRO 29 HB3 PRO 29 14.931 9.730 -2.024 59 HG2 PRO 29 HG2 PRO 29 15.756 12.484 -1.193 60 HG3 PRO 29 HG3 PRO 29 14.120 11.846 -1.526 61 HD2 PRO 29 HD2 PRO 29 15.204 12.153 1.009 62 HD3 PRO 29 HD3 PRO 29 13.930 10.959 0.606 63 H LYS 30 H LYS 30 18.462 8.731 -1.938 64 HA LYS 30 HA LYS 30 20.709 10.021 -0.682 65 HB2 LYS 30 HB2 LYS 30 20.583 7.869 -2.146 66 HB3 LYS 30 HB3 LYS 30 20.692 8.967 -3.524 67 HG2 LYS 30 HG2 LYS 30 22.868 9.844 -2.510 68 HG3 LYS 30 HG3 LYS 30 22.705 8.594 -1.266 69 HD2 LYS 30 HD2 LYS 30 22.709 6.857 -3.073 70 HD3 LYS 30 HD3 LYS 30 22.931 8.150 -4.278 71 HE2 LYS 30 HE2 LYS 30 25.058 8.815 -3.175 72 HE3 LYS 30 HE3 LYS 30 24.824 7.568 -1.946 73 HZ1 LYS 30 HZ1 LYS 30 25.215 7.037 -4.851 74 HZ2 LYS 30 HZ2 LYS 30 26.330 6.806 -3.687 75 HZ3 LYS 30 HZ3 LYS 30 24.988 5.884 -3.711 76 H LEU 31 H LEU 31 22.125 11.604 -1.598 77 HA LEU 31 HA LEU 31 20.998 14.068 -1.972 78 HB2 LEU 31 HB2 LEU 31 23.745 12.976 -2.583 79 HB3 LEU 31 HB3 LEU 31 23.345 14.618 -3.065 80 HG LEU 31 HG LEU 31 22.794 15.242 -0.765 81 HD11 LEU 31 HD11 LEU 31 23.443 13.770 1.127 82 HD12 LEU 31 HD12 LEU 31 22.071 13.125 0.231 83 HD13 LEU 31 HD13 LEU 31 23.701 12.429 -0.006 84 HD21 LEU 31 HD21 LEU 31 25.514 13.893 -1.029 85 HD22 LEU 31 HD22 LEU 31 25.095 15.511 -1.632 86 HD23 LEU 31 HD23 LEU 31 25.091 15.191 0.109 87 HA PRO 32 HA PRO 32 21.430 14.088 -6.826 88 HB2 PRO 32 HB2 PRO 32 20.902 11.416 -7.788 89 HB3 PRO 32 HB3 PRO 32 22.374 12.408 -8.053 90 HG2 PRO 32 HG2 PRO 32 21.836 10.246 -6.066 91 HG3 PRO 32 HG3 PRO 32 23.406 10.776 -6.734 92 HD2 PRO 32 HD2 PRO 32 22.646 11.332 -4.202 93 HD3 PRO 32 HD3 PRO 32 23.595 12.499 -5.157 94 H LEU 33 H LEU 33 19.349 11.629 -5.438 95 HA LEU 33 HA LEU 33 17.104 12.544 -7.051 96 HB2 LEU 33 HB2 LEU 33 17.257 10.266 -6.475 97 HB3 LEU 33 HB3 LEU 33 17.553 10.627 -4.762 98 HG LEU 33 HG LEU 33 15.290 11.463 -4.511 99 HD11 LEU 33 HD11 LEU 33 13.557 11.123 -6.159 100 HD12 LEU 33 HD12 LEU 33 14.768 12.195 -6.863 101 HD13 LEU 33 HD13 LEU 33 14.714 10.475 -7.331 102 HD21 LEU 33 HD21 LEU 33 14.206 9.341 -4.555 103 HD22 LEU 33 HD22 LEU 33 15.287 8.729 -5.836 104 HD23 LEU 33 HD23 LEU 33 15.915 9.041 -4.207 105 H LEU 34 H LEU 34 18.039 13.005 -3.598 106 HA LEU 34 HA LEU 34 15.814 14.566 -2.803 107 HB2 LEU 34 HB2 LEU 34 17.651 13.599 -1.331 108 HB3 LEU 34 HB3 LEU 34 18.754 14.803 -1.964 109 HG LEU 34 HG LEU 34 17.443 16.619 -0.928 110 HD11 LEU 34 HD11 LEU 34 15.669 16.072 0.723 111 HD12 LEU 34 HD12 LEU 34 15.173 15.660 -0.917 112 HD13 LEU 34 HD13 LEU 34 15.703 14.380 0.208 113 HD21 LEU 34 HD21 LEU 34 17.974 16.075 1.409 114 HD22 LEU 34 HD22 LEU 34 18.106 14.350 0.995 115 HD23 LEU 34 HD23 LEU 34 19.264 15.524 0.329 116 H LYS 35 H LYS 35 18.785 15.654 -4.520 117 HA LYS 35 HA LYS 35 18.374 18.394 -4.491 118 HB2 LYS 35 HB2 LYS 35 20.165 16.682 -5.719 119 HB3 LYS 35 HB3 LYS 35 19.214 17.165 -7.109 120 HG2 LYS 35 HG2 LYS 35 20.996 18.749 -6.974 121 HG3 LYS 35 HG3 LYS 35 19.579 19.592 -6.350 122 HD2 LYS 35 HD2 LYS 35 21.305 20.117 -4.822 123 HD3 LYS 35 HD3 LYS 35 20.393 18.839 -3.986 124 HE2 LYS 35 HE2 LYS 35 22.033 17.162 -4.580 125 HE3 LYS 35 HE3 LYS 35 22.879 18.290 -5.654 126 HZ1 LYS 35 HZ1 LYS 35 23.453 19.634 -3.701 127 HZ2 LYS 35 HZ2 LYS 35 22.681 18.604 -2.696 128 HZ3 LYS 35 HZ3 LYS 35 24.014 18.119 -3.510 129 H ILE 36 H ILE 36 16.676 16.095 -6.621 130 HA ILE 36 HA ILE 36 15.351 18.009 -8.333 131 HB ILE 36 HB ILE 36 14.361 15.291 -7.435 132 HG12 ILE 36 HG12 ILE 36 16.510 14.988 -8.344 133 HG13 ILE 36 HG13 ILE 36 15.337 14.544 -9.590 134 HG21 ILE 36 HG21 ILE 36 13.605 17.100 -9.769 135 HG22 ILE 36 HG22 ILE 36 13.092 15.412 -9.561 136 HG23 ILE 36 HG23 ILE 36 12.583 16.625 -8.394 137 HD11 ILE 36 HD11 ILE 36 17.069 17.035 -9.456 138 HD12 ILE 36 HD12 ILE 36 17.193 15.687 -10.587 139 HD13 ILE 36 HD13 ILE 36 15.793 16.789 -10.670 140 H LEU 37 H LEU 37 14.380 16.333 -5.294 141 HA LEU 37 HA LEU 37 11.755 17.425 -4.968 142 HB2 LEU 37 HB2 LEU 37 13.763 16.222 -3.002 143 HB3 LEU 37 HB3 LEU 37 12.153 16.713 -2.529 144 HG LEU 37 HG LEU 37 11.110 15.040 -3.835 145 HD11 LEU 37 HD11 LEU 37 12.257 13.261 -5.022 146 HD12 LEU 37 HD12 LEU 37 12.551 14.807 -5.809 147 HD13 LEU 37 HD13 LEU 37 13.810 14.072 -4.771 148 HD21 LEU 37 HD21 LEU 37 11.875 14.444 -1.611 149 HD22 LEU 37 HD22 LEU 37 12.060 13.042 -2.683 150 HD23 LEU 37 HD23 LEU 37 13.478 14.012 -2.247 151 H HIS 38 H HIS 38 14.900 18.390 -3.561 152 HA HIS 38 HA HIS 38 13.847 20.684 -2.118 153 HB2 HIS 38 HB2 HIS 38 16.573 19.591 -2.826 154 HB3 HIS 38 HB3 HIS 38 16.415 21.209 -2.129 155 HD2 HIS 38 HD2 HIS 38 13.824 18.827 -0.775 156 HE1 HIS 38 HE1 HIS 38 16.801 19.163 2.254 157 HE2 HIS 38 HE2 HIS 38 14.421 18.374 1.747 158 H ALA 39 H ALA 39 15.360 20.358 -5.354 159 HA ALA 39 HA ALA 39 15.299 23.121 -6.044 160 HB1 ALA 39 HB1 ALA 39 15.189 20.552 -7.691 161 HB2 ALA 39 HB2 ALA 39 15.423 22.188 -8.369 162 HB3 ALA 39 HB3 ALA 39 16.624 21.495 -7.269 163 H ALA 40 H ALA 40 12.733 20.705 -5.859 164 HA ALA 40 HA ALA 40 10.788 22.447 -7.129 165 HB1 ALA 40 HB1 ALA 40 9.323 20.693 -6.932 166 HB2 ALA 40 HB2 ALA 40 10.858 19.800 -6.916 167 HB3 ALA 40 HB3 ALA 40 10.012 20.108 -5.400 168 H GLY 41 H GLY 41 11.990 22.047 -3.829 169 HA2 GLY 41 HA2 GLY 41 11.468 23.416 -1.983 170 HA3 GLY 41 HA3 GLY 41 9.976 23.951 -2.749 171 H ALA 42 H ALA 42 11.471 20.880 -1.602 172 HA ALA 42 HA ALA 42 8.979 19.650 -0.827 173 HB1 ALA 42 HB1 ALA 42 11.771 18.891 0.056 174 HB2 ALA 42 HB2 ALA 42 10.329 17.863 -0.029 175 HB3 ALA 42 HB3 ALA 42 11.055 18.447 -1.523 176 H GLN 43 H GLN 43 8.527 18.844 1.371 177 HA GLN 43 HA GLN 43 8.671 21.088 3.283 178 HB2 GLN 43 HB2 GLN 43 6.504 20.054 2.318 179 HB3 GLN 43 HB3 GLN 43 6.798 18.718 3.427 180 HG2 GLN 43 HG2 GLN 43 5.223 20.308 4.378 181 HG3 GLN 43 HG3 GLN 43 6.682 20.330 5.349 182 HE21 GLN 43 HE22 GLN 43 4.890 22.140 2.790 183 HE22 GLN 43 HE21 GLN 43 5.635 23.684 3.180 184 H GLY 44 H GLY 44 10.937 19.297 3.007 185 HA2 GLY 44 HA2 GLY 44 12.024 18.999 5.472 186 HA3 GLY 44 HA3 GLY 44 10.978 17.584 5.405 187 H GLU 45 H GLU 45 12.899 16.382 5.674 188 HA GLU 45 HA GLU 45 14.261 15.739 3.070 189 HB2 GLU 45 HB2 GLU 45 15.367 15.470 5.889 190 HB3 GLU 45 HB3 GLU 45 16.178 14.979 4.399 191 HG2 GLU 45 HG2 GLU 45 16.141 17.357 3.625 192 HG3 GLU 45 HG3 GLU 45 15.486 17.833 5.201 193 H MET 46 H MET 46 12.036 14.555 5.313 194 HA MET 46 HA MET 46 12.704 11.653 4.810 195 HB2 MET 46 HB2 MET 46 11.676 13.031 7.316 196 HB3 MET 46 HB3 MET 46 11.652 11.285 7.060 197 HG2 MET 46 HG2 MET 46 14.104 11.294 6.729 198 HG3 MET 46 HG3 MET 46 14.144 13.029 7.049 199 HE1 MET 46 HE1 MET 46 12.117 13.379 9.569 200 HE2 MET 46 HE2 MET 46 13.317 13.258 10.870 201 HE3 MET 46 HE3 MET 46 13.713 14.149 9.385 202 H PHE 47 H PHE 47 11.176 10.807 3.501 203 HA PHE 47 HA PHE 47 8.296 11.290 4.032 204 HB2 PHE 47 HB2 PHE 47 8.636 11.645 1.204 205 HB3 PHE 47 HB3 PHE 47 7.909 12.697 2.390 206 HD1 PHE 47 HD2 PHE 47 11.439 11.675 1.478 207 HD2 PHE 47 HD1 PHE 47 8.666 14.883 2.291 208 HE1 PHE 47 HE2 PHE 47 13.212 13.329 1.054 209 HE2 PHE 47 HE1 PHE 47 10.435 16.549 1.777 210 HZ PHE 47 HZ PHE 47 12.714 15.781 1.130 211 H THR 48 H THR 48 6.843 10.019 2.670 212 HA THR 48 HA THR 48 7.762 7.297 2.030 213 HB THR 48 HB THR 48 5.282 7.116 1.281 214 HG1 THR 48 HG1 THR 48 4.062 8.916 2.270 215 HG21 THR 48 HG21 THR 48 6.229 6.585 3.657 216 HG22 THR 48 HG22 THR 48 5.395 8.089 4.122 217 HG23 THR 48 HG23 THR 48 4.482 6.751 3.409 218 H VAL 49 H VAL 49 7.079 6.334 -0.100 219 HA VAL 49 HA VAL 49 8.257 7.398 -2.396 220 HB VAL 49 HB VAL 49 6.153 5.271 -2.069 221 HG11 VAL 49 HG11 VAL 49 7.727 6.052 -4.566 222 HG12 VAL 49 HG12 VAL 49 6.839 4.528 -4.363 223 HG13 VAL 49 HG13 VAL 49 5.959 6.054 -4.385 224 HG21 VAL 49 HG21 VAL 49 8.393 4.801 -1.077 225 HG22 VAL 49 HG22 VAL 49 8.085 3.781 -2.483 226 HG23 VAL 49 HG23 VAL 49 9.159 5.187 -2.631 227 H LYS 50 H LYS 50 4.838 7.413 -1.331 228 HA LYS 50 HA LYS 50 3.751 8.765 -3.566 229 HB2 LYS 50 HB2 LYS 50 1.762 8.648 -2.307 230 HB3 LYS 50 HB3 LYS 50 2.680 7.179 -1.991 231 HG2 LYS 50 HG2 LYS 50 3.364 8.027 0.190 232 HG3 LYS 50 HG3 LYS 50 2.552 9.571 -0.104 233 HD2 LYS 50 HD2 LYS 50 1.234 8.226 1.381 234 HD3 LYS 50 HD3 LYS 50 0.371 8.422 -0.154 235 HE2 LYS 50 HE2 LYS 50 1.095 6.139 -0.843 236 HE3 LYS 50 HE3 LYS 50 2.001 5.966 0.669 237 HZ1 LYS 50 HZ1 LYS 50 -0.953 6.312 0.478 238 HZ2 LYS 50 HZ2 LYS 50 -0.190 4.911 0.815 239 HZ3 LYS 50 HZ3 LYS 50 -0.121 6.148 1.875 240 H GLU 51 H GLU 51 5.153 10.057 -0.561 241 HA GLU 51 HA GLU 51 4.369 12.819 -1.210 242 HB2 GLU 51 HB2 GLU 51 6.260 11.621 0.834 243 HB3 GLU 51 HB3 GLU 51 6.006 13.356 0.644 244 HG2 GLU 51 HG2 GLU 51 3.799 11.364 1.307 245 HG3 GLU 51 HG3 GLU 51 4.708 12.300 2.487 246 H VAL 52 H VAL 52 7.471 10.910 -1.394 247 HA VAL 52 HA VAL 52 9.015 13.043 -2.383 248 HB VAL 52 HB VAL 52 10.463 11.410 -3.434 249 HG11 VAL 52 HG11 VAL 52 11.356 10.508 -1.360 250 HG12 VAL 52 HG12 VAL 52 10.660 12.101 -1.022 251 HG13 VAL 52 HG13 VAL 52 9.772 10.630 -0.574 252 HG21 VAL 52 HG21 VAL 52 9.022 9.594 -4.092 253 HG22 VAL 52 HG22 VAL 52 10.309 9.053 -3.047 254 HG23 VAL 52 HG23 VAL 52 8.705 9.313 -2.357 255 H MET 53 H MET 53 7.269 10.603 -4.246 256 HA MET 53 HA MET 53 7.897 11.760 -6.756 257 HB2 MET 53 HB2 MET 53 6.665 10.131 -7.755 258 HB3 MET 53 HB3 MET 53 7.120 9.399 -6.242 259 HG2 MET 53 HG2 MET 53 4.895 8.777 -6.515 260 HG3 MET 53 HG3 MET 53 4.820 10.085 -5.344 261 HE1 MET 53 HE1 MET 53 5.230 10.380 -9.360 262 HE2 MET 53 HE2 MET 53 4.185 8.969 -9.090 263 HE3 MET 53 HE3 MET 53 3.528 10.454 -9.814 264 H HIS 54 H HIS 54 5.389 12.791 -4.506 265 HA HIS 54 HA HIS 54 3.800 14.296 -6.396 266 HB2 HIS 54 HB2 HIS 54 3.048 13.718 -4.109 267 HB3 HIS 54 HB3 HIS 54 4.275 14.783 -3.429 268 HD2 HIS 54 HD2 HIS 54 3.748 17.336 -3.257 269 HE1 HIS 54 HE1 HIS 54 0.041 17.402 -5.368 270 HE2 HIS 54 HE2 HIS 54 1.656 18.778 -3.958 271 H TYR 55 H TYR 55 6.750 15.093 -4.530 272 HA TYR 55 HA TYR 55 6.923 17.804 -5.411 273 HB2 TYR 55 HB2 TYR 55 9.240 15.982 -4.739 274 HB3 TYR 55 HB3 TYR 55 9.269 17.739 -4.794 275 HD1 TYR 55 HD2 TYR 55 7.303 18.887 -3.268 276 HD2 TYR 55 HD1 TYR 55 9.173 15.080 -2.601 277 HE1 TYR 55 HE2 TYR 55 6.434 18.876 -0.934 278 HE2 TYR 55 HE1 TYR 55 8.361 15.079 -0.250 279 HH TYR 55 HH TYR 55 6.256 17.680 1.039 280 H LEU 56 H LEU 56 7.628 14.824 -7.209 281 HA LEU 56 HA LEU 56 9.172 16.129 -9.310 282 HB2 LEU 56 HB2 LEU 56 7.371 13.705 -9.587 283 HB3 LEU 56 HB3 LEU 56 8.658 14.195 -10.670 284 HG LEU 56 HG LEU 56 9.118 13.304 -7.800 285 HD11 LEU 56 HD11 LEU 56 8.111 11.515 -9.180 286 HD12 LEU 56 HD12 LEU 56 9.393 11.739 -10.376 287 HD13 LEU 56 HD13 LEU 56 9.789 11.158 -8.734 288 HD21 LEU 56 HD21 LEU 56 11.451 12.999 -8.549 289 HD22 LEU 56 HD22 LEU 56 11.023 13.676 -10.141 290 HD23 LEU 56 HD23 LEU 56 10.933 14.685 -8.677 291 H GLY 57 H GLY 57 5.664 15.430 -8.852 292 HA2 GLY 57 HA2 GLY 57 4.707 16.538 -11.287 293 HA3 GLY 57 HA3 GLY 57 3.805 16.445 -9.766 294 H GLN 58 H GLN 58 5.107 18.137 -8.063 295 HA GLN 58 HA GLN 58 4.464 20.734 -9.095 296 HB2 GLN 58 HB2 GLN 58 4.622 21.498 -7.018 297 HB3 GLN 58 HB3 GLN 58 4.589 19.790 -6.606 298 HG2 GLN 58 HG2 GLN 58 7.132 19.874 -6.491 299 HG3 GLN 58 HG3 GLN 58 7.059 21.597 -6.803 300 HE21 GLN 58 HE22 GLN 58 7.927 22.244 -4.730 301 HE22 GLN 58 HE21 GLN 58 7.147 21.840 -3.219 302 H TYR 59 H TYR 59 7.626 19.047 -8.835 303 HA TYR 59 HA TYR 59 9.313 21.198 -9.489 304 HB2 TYR 59 HB2 TYR 59 10.122 18.984 -8.754 305 HB3 TYR 59 HB3 TYR 59 9.559 18.252 -10.226 306 HD1 TYR 59 HD1 TYR 59 10.651 18.747 -12.410 307 HD2 TYR 59 HD2 TYR 59 12.179 20.299 -8.690 308 HE1 TYR 59 HE1 TYR 59 12.898 19.011 -13.451 309 HE2 TYR 59 HE2 TYR 59 14.417 20.572 -9.744 310 HH TYR 59 HH TYR 59 15.145 19.480 -13.023 311 H ILE 60 H ILE 60 7.726 18.769 -11.652 312 HA ILE 60 HA ILE 60 8.615 19.931 -14.122 313 HB ILE 60 HB ILE 60 6.178 18.245 -13.464 314 HG12 ILE 60 HG12 ILE 60 8.670 17.184 -14.830 315 HG13 ILE 60 HG13 ILE 60 8.667 17.348 -13.083 316 HG21 ILE 60 HG21 ILE 60 6.376 17.611 -15.969 317 HG22 ILE 60 HG22 ILE 60 5.663 19.156 -15.540 318 HG23 ILE 60 HG23 ILE 60 7.334 19.106 -16.153 319 HD11 ILE 60 HD11 ILE 60 7.915 15.144 -13.542 320 HD12 ILE 60 HD12 ILE 60 6.510 16.057 -12.970 321 HD13 ILE 60 HD13 ILE 60 6.683 15.715 -14.695 322 H MET 61 H MET 61 5.638 20.468 -12.174 323 HA MET 61 HA MET 61 4.415 22.270 -13.988 324 HB2 MET 61 HB2 MET 61 3.373 21.056 -12.061 325 HB3 MET 61 HB3 MET 61 4.179 22.176 -10.955 326 HG2 MET 61 HG2 MET 61 1.902 22.894 -11.280 327 HG3 MET 61 HG3 MET 61 2.971 24.071 -12.030 328 HE1 MET 61 HE1 MET 61 1.264 25.239 -13.482 329 HE2 MET 61 HE2 MET 61 2.727 24.882 -14.431 330 HE3 MET 61 HE3 MET 61 1.120 24.669 -15.159 331 H VAL 62 H VAL 62 6.736 22.991 -11.306 332 HA VAL 62 HA VAL 62 6.687 25.856 -11.874 333 HB VAL 62 HB VAL 62 7.089 24.900 -9.626 334 HG11 VAL 62 HG11 VAL 62 9.318 24.250 -8.902 335 HG12 VAL 62 HG12 VAL 62 8.706 23.130 -10.105 336 HG13 VAL 62 HG13 VAL 62 9.932 24.329 -10.565 337 HG21 VAL 62 HG21 VAL 62 7.677 27.246 -10.197 338 HG22 VAL 62 HG22 VAL 62 8.733 26.554 -8.945 339 HG23 VAL 62 HG23 VAL 62 9.323 26.697 -10.616 340 H LYS 63 H LYS 63 8.954 23.249 -12.673 341 HA LYS 63 HA LYS 63 10.693 24.938 -14.286 342 HB2 LYS 63 HB2 LYS 63 10.350 21.927 -14.192 343 HB3 LYS 63 HB3 LYS 63 11.631 22.766 -15.066 344 HG2 LYS 63 HG2 LYS 63 11.226 22.788 -12.061 345 HG3 LYS 63 HG3 LYS 63 12.428 21.878 -12.975 346 HD2 LYS 63 HD2 LYS 63 13.356 24.151 -13.753 347 HD3 LYS 63 HD3 LYS 63 12.254 24.878 -12.569 348 HE2 LYS 63 HE2 LYS 63 14.150 24.675 -11.274 349 HE3 LYS 63 HE3 LYS 63 13.293 23.179 -10.868 350 HZ1 LYS 63 HZ1 LYS 63 14.772 22.003 -12.463 351 HZ2 LYS 63 HZ2 LYS 63 15.485 23.411 -12.900 352 HZ3 LYS 63 HZ3 LYS 63 15.692 22.827 -11.396 353 H GLN 64 H GLN 64 7.623 23.639 -14.977 354 HA GLN 64 HA GLN 64 6.392 23.055 -16.659 355 HB2 GLN 64 HB2 GLN 64 6.064 24.714 -18.466 356 HB3 GLN 64 HB3 GLN 64 5.826 25.268 -16.818 357 HG2 GLN 64 HG2 GLN 64 8.552 25.582 -17.916 358 HG3 GLN 64 HG3 GLN 64 7.328 26.593 -18.688 359 HE21 GLN 64 HE22 GLN 64 9.677 26.823 -16.420 360 HE22 GLN 64 HE21 GLN 64 8.888 27.865 -15.251 361 H LEU 65 H LEU 65 7.801 21.153 -16.805 362 HA LEU 65 HA LEU 65 9.527 21.126 -19.166 363 HB2 LEU 65 HB2 LEU 65 9.210 18.929 -17.109 364 HB3 LEU 65 HB3 LEU 65 10.306 18.927 -18.460 365 HG LEU 65 HG LEU 65 10.449 20.780 -16.068 366 HD11 LEU 65 HD11 LEU 65 12.543 19.609 -15.628 367 HD12 LEU 65 HD12 LEU 65 11.169 18.486 -15.631 368 HD13 LEU 65 HD13 LEU 65 12.266 18.558 -17.027 369 HD21 LEU 65 HD21 LEU 65 12.239 20.621 -18.536 370 HD22 LEU 65 HD22 LEU 65 11.255 22.018 -18.038 371 HD23 LEU 65 HD23 LEU 65 12.630 21.516 -17.052 372 H TYR 66 H TYR 66 6.330 20.882 -19.029 373 HA TYR 66 HA TYR 66 6.119 18.343 -20.466 374 HB2 TYR 66 HB2 TYR 66 3.675 18.533 -20.056 375 HB3 TYR 66 HB3 TYR 66 4.680 18.406 -18.621 376 HD1 TYR 66 HD2 TYR 66 5.072 20.308 -17.182 377 HD2 TYR 66 HD1 TYR 66 2.438 20.606 -20.548 378 HE1 TYR 66 HE2 TYR 66 4.196 22.508 -16.295 379 HE2 TYR 66 HE1 TYR 66 1.640 22.831 -19.749 380 HH TYR 66 HH TYR 66 1.790 24.440 -18.117 381 H ASP 67 H ASP 67 4.720 18.089 -22.341 382 HA ASP 67 HA ASP 67 5.201 20.069 -24.385 383 HB2 ASP 67 HB2 ASP 67 4.922 17.489 -24.588 384 HB3 ASP 67 HB3 ASP 67 3.195 17.834 -24.611 385 H GLN 68 H GLN 68 3.991 21.744 -25.020 386 HA GLN 68 HA GLN 68 1.557 22.613 -23.910 387 HB2 GLN 68 HB2 GLN 68 1.697 23.464 -26.642 388 HB3 GLN 68 HB3 GLN 68 1.837 24.376 -25.164 389 HG2 GLN 68 HG2 GLN 68 3.830 24.956 -25.978 390 HG3 GLN 68 HG3 GLN 68 4.429 23.442 -25.359 391 HE21 GLN 68 HE22 GLN 68 4.194 21.450 -27.193 392 HE22 GLN 68 HE21 GLN 68 4.386 22.033 -28.817 393 H GLN 69 H GLN 69 2.083 20.471 -26.740 394 HA GLN 69 HA GLN 69 -0.728 20.516 -27.574 395 HB2 GLN 69 HB2 GLN 69 1.761 19.018 -28.437 396 HB3 GLN 69 HB3 GLN 69 0.182 18.403 -28.885 397 HG2 GLN 69 HG2 GLN 69 0.863 19.673 -30.715 398 HG3 GLN 69 HG3 GLN 69 -0.391 20.611 -29.922 399 HE21 GLN 69 HE22 GLN 69 0.233 22.670 -28.914 400 HE22 GLN 69 HE21 GLN 69 1.809 23.365 -29.274 401 H GLU 70 H GLU 70 1.121 18.579 -25.310 402 HA GLU 70 HA GLU 70 -1.292 17.114 -24.495 403 HB2 GLU 70 HB2 GLU 70 -0.617 15.722 -26.309 404 HB3 GLU 70 HB3 GLU 70 1.071 15.642 -25.721 405 HG2 GLU 70 HG2 GLU 70 0.207 14.482 -23.697 406 HG3 GLU 70 HG3 GLU 70 -1.427 14.582 -24.392 407 H GLN 71 H GLN 71 -1.121 18.046 -22.539 408 HA GLN 71 HA GLN 71 1.229 18.718 -21.172 409 HB2 GLN 71 HB2 GLN 71 -1.427 18.092 -19.894 410 HB3 GLN 71 HB3 GLN 71 -0.203 19.183 -19.269 411 HG2 GLN 71 HG2 GLN 71 -1.800 19.688 -21.838 412 HG3 GLN 71 HG3 GLN 71 -2.260 20.213 -20.232 413 HE21 GLN 71 HE22 GLN 71 0.667 20.562 -22.447 414 HE22 GLN 71 HE21 GLN 71 0.837 22.237 -21.958 415 H HIS 72 H HIS 72 -0.216 15.556 -21.350 416 HA HIS 72 HA HIS 72 0.698 14.354 -18.961 417 HB2 HIS 72 HB2 HIS 72 0.634 13.104 -21.758 418 HB3 HIS 72 HB3 HIS 72 0.422 12.266 -20.234 419 HD2 HIS 72 HD2 HIS 72 -1.987 12.082 -19.345 420 HE1 HIS 72 HE1 HIS 72 -3.892 14.533 -22.334 421 HE2 HIS 72 HE2 HIS 72 -4.337 12.951 -20.326 422 H MET 73 H MET 73 2.337 15.115 -21.977 423 HA MET 73 HA MET 73 4.546 13.227 -21.555 424 HB2 MET 73 HB2 MET 73 4.005 15.307 -23.719 425 HB3 MET 73 HB3 MET 73 5.369 14.195 -23.715 426 HG2 MET 73 HG2 MET 73 2.431 13.438 -23.839 427 HG3 MET 73 HG3 MET 73 3.568 13.418 -25.178 428 HE1 MET 73 HE1 MET 73 5.655 11.760 -25.347 429 HE2 MET 73 HE2 MET 73 6.228 12.057 -23.687 430 HE3 MET 73 HE3 MET 73 5.936 10.397 -24.241 431 H VAL 74 H VAL 74 6.191 13.665 -20.311 432 HA VAL 74 HA VAL 74 6.966 16.486 -19.680 433 HB VAL 74 HB VAL 74 7.854 13.911 -18.322 434 HG11 VAL 74 HG11 VAL 74 8.461 15.489 -16.505 435 HG12 VAL 74 HG12 VAL 74 9.327 15.871 -17.990 436 HG13 VAL 74 HG13 VAL 74 7.936 16.857 -17.515 437 HG21 VAL 74 HG21 VAL 74 6.242 14.510 -16.528 438 HG22 VAL 74 HG22 VAL 74 5.587 15.815 -17.547 439 HG23 VAL 74 HG23 VAL 74 5.413 14.110 -18.020 440 H TYR 75 H TYR 75 8.911 17.231 -20.420 441 HA TYR 75 HA TYR 75 10.852 15.415 -21.773 442 HB2 TYR 75 HB2 TYR 75 9.786 18.134 -22.554 443 HB3 TYR 75 HB3 TYR 75 11.295 17.477 -23.193 444 HD1 TYR 75 HD1 TYR 75 11.295 15.138 -24.203 445 HD2 TYR 75 HD2 TYR 75 7.684 17.407 -23.535 446 HE1 TYR 75 HE1 TYR 75 10.071 13.614 -25.711 447 HE2 TYR 75 HE2 TYR 75 6.467 15.904 -25.117 448 HH TYR 75 HH TYR 75 8.055 13.136 -26.746 449 H CYS 76 H CYS 76 12.222 15.140 -20.114 450 HA CYS 76 HA CYS 76 13.413 17.409 -18.624 451 HB2 CYS 76 HB2 CYS 76 13.615 14.400 -18.196 452 HB3 CYS 76 HB3 CYS 76 14.342 15.653 -17.177 453 HG CYS 76 HG CYS 76 11.144 15.152 -17.830 454 H GLY 77 H GLY 77 14.118 16.421 -21.578 455 HA2 GLY 77 HA2 GLY 77 16.792 15.498 -21.552 456 HA3 GLY 77 HA3 GLY 77 16.065 16.451 -22.847 457 H GLY 78 H GLY 78 18.568 16.399 -20.703 458 HA2 GLY 78 HA2 GLY 78 20.231 17.967 -20.277 459 HA3 GLY 78 HA3 GLY 78 19.230 19.249 -20.952 460 H ASP 79 H ASP 79 17.333 17.640 -18.650 461 HA ASP 79 HA ASP 79 17.876 19.682 -16.565 462 HB2 ASP 79 HB2 ASP 79 15.518 19.114 -17.422 463 HB3 ASP 79 HB3 ASP 79 15.684 17.585 -16.577 464 H LEU 80 H LEU 80 18.070 19.039 -14.282 465 HA LEU 80 HA LEU 80 19.845 16.864 -13.768 466 HB2 LEU 80 HB2 LEU 80 19.264 18.995 -12.321 467 HB3 LEU 80 HB3 LEU 80 17.907 17.991 -11.740 468 HG LEU 80 HG LEU 80 19.452 16.346 -10.814 469 HD11 LEU 80 HD11 LEU 80 21.914 16.809 -10.723 470 HD12 LEU 80 HD12 LEU 80 21.347 16.390 -12.333 471 HD13 LEU 80 HD13 LEU 80 21.686 18.090 -11.935 472 HD21 LEU 80 HD21 LEU 80 20.481 17.717 -9.074 473 HD22 LEU 80 HD22 LEU 80 20.346 19.171 -10.085 474 HD23 LEU 80 HD23 LEU 80 18.885 18.382 -9.468 475 H LEU 81 H LEU 81 16.244 17.176 -13.268 476 HA LEU 81 HA LEU 81 15.895 14.605 -12.320 477 HB2 LEU 81 HB2 LEU 81 14.126 16.259 -12.269 478 HB3 LEU 81 HB3 LEU 81 14.073 16.349 -14.024 479 HG LEU 81 HG LEU 81 13.077 14.157 -14.209 480 HD11 LEU 81 HD11 LEU 81 14.105 12.921 -12.346 481 HD12 LEU 81 HD12 LEU 81 13.275 13.952 -11.175 482 HD13 LEU 81 HD13 LEU 81 12.352 12.858 -12.228 483 HD21 LEU 81 HD21 LEU 81 10.932 14.601 -13.105 484 HD22 LEU 81 HD22 LEU 81 11.709 15.787 -12.027 485 HD23 LEU 81 HD23 LEU 81 11.609 16.094 -13.774 486 H GLY 82 H GLY 82 16.342 15.634 -15.693 487 HA2 GLY 82 HA2 GLY 82 15.664 13.135 -17.003 488 HA3 GLY 82 HA3 GLY 82 16.610 14.470 -17.671 489 H GLU 83 H GLU 83 18.784 14.594 -15.918 490 HA GLU 83 HA GLU 83 20.414 12.402 -16.781 491 HB2 GLU 83 HB2 GLU 83 22.022 13.778 -16.262 492 HB3 GLU 83 HB3 GLU 83 20.833 14.931 -15.669 493 HG2 GLU 83 HG2 GLU 83 21.117 14.152 -13.389 494 HG3 GLU 83 HG3 GLU 83 22.139 12.814 -13.921 495 H LEU 84 H LEU 84 18.745 13.016 -13.711 496 HA LEU 84 HA LEU 84 19.602 10.683 -12.331 497 HB2 LEU 84 HB2 LEU 84 18.539 12.648 -11.285 498 HB3 LEU 84 HB3 LEU 84 17.048 12.330 -12.164 499 HG LEU 84 HG LEU 84 16.801 10.155 -10.925 500 HD11 LEU 84 HD11 LEU 84 18.134 9.873 -8.843 501 HD12 LEU 84 HD12 LEU 84 19.159 9.769 -10.280 502 HD13 LEU 84 HD13 LEU 84 19.142 11.261 -9.314 503 HD21 LEU 84 HD21 LEU 84 17.051 12.708 -9.302 504 HD22 LEU 84 HD22 LEU 84 15.628 12.170 -10.231 505 HD23 LEU 84 HD23 LEU 84 16.155 11.247 -8.818 506 H LEU 85 H LEU 85 16.789 11.220 -14.438 507 HA LEU 85 HA LEU 85 15.684 8.570 -14.292 508 HB2 LEU 85 HB2 LEU 85 15.310 11.062 -15.901 509 HB3 LEU 85 HB3 LEU 85 14.916 9.620 -16.768 510 HG LEU 85 HG LEU 85 13.787 10.127 -14.006 511 HD11 LEU 85 HD11 LEU 85 13.189 12.014 -15.442 512 HD12 LEU 85 HD12 LEU 85 12.671 10.903 -16.728 513 HD13 LEU 85 HD13 LEU 85 11.784 10.973 -15.184 514 HD21 LEU 85 HD21 LEU 85 12.039 8.559 -14.798 515 HD22 LEU 85 HD22 LEU 85 12.856 8.419 -16.360 516 HD23 LEU 85 HD23 LEU 85 13.629 7.796 -14.883 517 H GLY 86 H GLY 86 18.207 9.953 -16.372 518 HA2 GLY 86 HA2 GLY 86 19.710 8.916 -17.815 519 HA3 GLY 86 HA3 GLY 86 18.994 7.338 -17.470 520 H ARG 87 H ARG 87 16.713 9.736 -18.307 521 HA ARG 87 HA ARG 87 16.638 9.321 -21.214 522 HB2 ARG 87 HB2 ARG 87 14.332 8.458 -21.231 523 HB3 ARG 87 HB3 ARG 87 15.498 7.328 -20.540 524 HG2 ARG 87 HG2 ARG 87 14.763 8.014 -18.258 525 HG3 ARG 87 HG3 ARG 87 13.503 9.026 -18.973 526 HD2 ARG 87 HD2 ARG 87 13.823 6.023 -19.396 527 HD3 ARG 87 HD3 ARG 87 12.773 6.766 -18.181 528 HE ARG 87 HE ARG 87 11.776 7.999 -20.303 529 HH11 ARG 87 HH12 ARG 87 12.533 4.566 -20.137 530 HH12 ARG 87 HH11 ARG 87 11.302 4.175 -21.306 531 HH21 ARG 87 HH21 ARG 87 10.321 7.460 -21.738 532 HH22 ARG 87 HH22 ARG 87 10.058 5.793 -22.211 533 H GLN 88 H GLN 88 15.597 10.825 -22.297 534 HA GLN 88 HA GLN 88 15.161 13.372 -20.975 535 HB2 GLN 88 HB2 GLN 88 14.796 14.203 -23.186 536 HB3 GLN 88 HB3 GLN 88 16.178 13.096 -23.199 537 HG2 GLN 88 HG2 GLN 88 14.660 11.324 -24.171 538 HG3 GLN 88 HG3 GLN 88 13.368 12.528 -24.241 539 HE21 GLN 88 HE22 GLN 88 13.731 14.471 -25.681 540 HE22 GLN 88 HE21 GLN 88 14.815 14.269 -27.049 541 H SER 89 H SER 89 12.982 10.778 -21.595 542 HA SER 89 HA SER 89 10.733 12.543 -20.784 543 HB2 SER 89 HB2 SER 89 9.375 12.026 -22.834 544 HB3 SER 89 HB3 SER 89 10.815 12.996 -23.133 545 HG SER 89 HG SER 89 10.445 10.225 -23.714 546 H PHE 90 H PHE 90 8.801 11.771 -20.334 547 HA PHE 90 HA PHE 90 7.979 8.976 -20.315 548 HB2 PHE 90 HB2 PHE 90 7.761 8.793 -17.903 549 HB3 PHE 90 HB3 PHE 90 9.442 9.008 -18.334 550 HD1 PHE 90 HD2 PHE 90 10.615 11.170 -17.881 551 HD2 PHE 90 HD1 PHE 90 6.566 10.460 -16.570 552 HE1 PHE 90 HE2 PHE 90 10.789 13.069 -16.321 553 HE2 PHE 90 HE1 PHE 90 6.727 12.375 -15.017 554 HZ PHE 90 HZ PHE 90 8.869 13.643 -14.807 555 H SER 91 H SER 91 5.675 9.042 -18.986 556 HA SER 91 HA SER 91 4.512 11.756 -19.036 557 HB2 SER 91 HB2 SER 91 2.433 10.922 -20.061 558 HB3 SER 91 HB3 SER 91 3.820 10.607 -21.139 559 HG SER 91 HG SER 91 2.953 8.636 -21.048 560 H VAL 92 H VAL 92 2.443 11.918 -17.861 561 HA VAL 92 HA VAL 92 2.320 10.484 -15.393 562 HB VAL 92 HB VAL 92 0.307 11.711 -15.052 563 HG11 VAL 92 HG11 VAL 92 1.079 13.961 -15.236 564 HG12 VAL 92 HG12 VAL 92 2.481 12.926 -14.923 565 HG13 VAL 92 HG13 VAL 92 2.186 13.559 -16.558 566 HG21 VAL 92 HG21 VAL 92 0.339 12.365 -18.002 567 HG22 VAL 92 HG22 VAL 92 -0.916 11.490 -17.102 568 HG23 VAL 92 HG23 VAL 92 -0.660 13.213 -16.811 569 H LYS 93 H LYS 93 1.304 9.564 -18.548 570 HA LYS 93 HA LYS 93 -0.767 7.618 -17.747 571 HB2 LYS 93 HB2 LYS 93 0.739 8.012 -20.370 572 HB3 LYS 93 HB3 LYS 93 -0.578 6.884 -20.118 573 HG2 LYS 93 HG2 LYS 93 -2.185 8.631 -19.835 574 HG3 LYS 93 HG3 LYS 93 -0.933 9.881 -19.727 575 HD2 LYS 93 HD2 LYS 93 -0.286 9.574 -22.036 576 HD3 LYS 93 HD3 LYS 93 -1.352 8.165 -22.215 577 HE2 LYS 93 HE2 LYS 93 -3.334 9.499 -21.995 578 HE3 LYS 93 HE3 LYS 93 -2.422 10.900 -21.447 579 HZ1 LYS 93 HZ1 LYS 93 -1.435 11.106 -23.673 580 HZ2 LYS 93 HZ2 LYS 93 -2.240 9.773 -24.185 581 HZ3 LYS 93 HZ3 LYS 93 -3.059 11.124 -23.773 582 H ASP 94 H ASP 94 2.699 7.651 -18.514 583 HA ASP 94 HA ASP 94 2.967 4.905 -17.370 584 HB2 ASP 94 HB2 ASP 94 3.049 4.790 -19.810 585 HB3 ASP 94 HB3 ASP 94 4.349 5.984 -19.843 586 HA PRO 95 HA PRO 95 5.826 7.850 -15.199 587 HB2 PRO 95 HB2 PRO 95 5.019 7.479 -12.631 588 HB3 PRO 95 HB3 PRO 95 4.090 8.483 -13.784 589 HG2 PRO 95 HG2 PRO 95 3.627 5.562 -13.063 590 HG3 PRO 95 HG3 PRO 95 2.432 6.900 -13.054 591 HD2 PRO 95 HD2 PRO 95 2.692 5.220 -15.181 592 HD3 PRO 95 HD3 PRO 95 2.331 6.959 -15.400 593 H SER 96 H SER 96 5.550 4.531 -15.405 594 HA SER 96 HA SER 96 6.826 3.218 -13.466 595 HB2 SER 96 HB2 SER 96 5.938 2.242 -15.534 596 HB3 SER 96 HB3 SER 96 7.365 2.802 -16.426 597 HG SER 96 HG SER 96 7.522 0.593 -15.708 598 HA PRO 97 HA PRO 97 11.319 3.830 -14.820 599 HB2 PRO 97 HB2 PRO 97 12.211 6.000 -16.193 600 HB3 PRO 97 HB3 PRO 97 11.586 4.524 -16.986 601 HG2 PRO 97 HG2 PRO 97 10.060 7.085 -16.390 602 HG3 PRO 97 HG3 PRO 97 10.164 6.201 -17.948 603 HD2 PRO 97 HD2 PRO 97 8.084 5.847 -16.309 604 HD3 PRO 97 HD3 PRO 97 8.795 4.445 -17.150 605 H LEU 98 H LEU 98 9.392 6.554 -13.671 606 HA LEU 98 HA LEU 98 11.425 7.929 -12.150 607 HB2 LEU 98 HB2 LEU 98 8.439 7.523 -11.568 608 HB3 LEU 98 HB3 LEU 98 9.461 8.773 -10.907 609 HG LEU 98 HG LEU 98 8.752 8.546 -13.867 610 HD11 LEU 98 HD11 LEU 98 7.208 10.385 -13.429 611 HD12 LEU 98 HD12 LEU 98 6.772 8.977 -12.455 612 HD13 LEU 98 HD13 LEU 98 7.606 10.341 -11.692 613 HD21 LEU 98 HD21 LEU 98 9.964 10.819 -12.261 614 HD22 LEU 98 HD22 LEU 98 10.869 9.747 -13.331 615 HD23 LEU 98 HD23 LEU 98 9.613 10.798 -14.001 616 H TYR 99 H TYR 99 9.089 5.331 -11.379 617 HA TYR 99 HA TYR 99 9.921 5.018 -8.675 618 HB2 TYR 99 HB2 TYR 99 8.463 3.190 -10.630 619 HB3 TYR 99 HB3 TYR 99 8.732 2.777 -8.947 620 HD1 TYR 99 HD1 TYR 99 7.116 5.467 -11.124 621 HD2 TYR 99 HD2 TYR 99 7.313 3.529 -7.249 622 HE1 TYR 99 HE1 TYR 99 5.033 6.608 -10.428 623 HE2 TYR 99 HE2 TYR 99 5.230 4.706 -6.569 624 HH TYR 99 HH TYR 99 3.415 6.843 -8.788 625 H ASP 100 H ASP 100 11.294 3.807 -11.663 626 HA ASP 100 HA ASP 100 13.065 1.822 -10.446 627 HB2 ASP 100 HB2 ASP 100 12.184 1.915 -12.831 628 HB3 ASP 100 HB3 ASP 100 13.396 3.150 -13.117 629 H MET 101 H MET 101 13.312 5.192 -11.529 630 HA MET 101 HA MET 101 16.026 5.611 -10.697 631 HB2 MET 101 HB2 MET 101 15.782 7.659 -11.508 632 HB3 MET 101 HB3 MET 101 14.191 7.146 -12.048 633 HG2 MET 101 HG2 MET 101 13.367 7.920 -9.734 634 HG3 MET 101 HG3 MET 101 14.918 8.722 -9.559 635 HE1 MET 101 HE1 MET 101 12.656 10.468 -9.020 636 HE2 MET 101 HE2 MET 101 11.628 11.034 -10.356 637 HE3 MET 101 HE3 MET 101 11.560 9.327 -9.833 638 H LEU 102 H LEU 102 13.053 5.381 -8.809 639 HA LEU 102 HA LEU 102 14.281 6.397 -6.344 640 HB2 LEU 102 HB2 LEU 102 11.683 4.842 -6.661 641 HB3 LEU 102 HB3 LEU 102 12.261 5.657 -5.227 642 HG LEU 102 HG LEU 102 11.291 6.965 -7.785 643 HD11 LEU 102 HD11 LEU 102 10.175 6.982 -4.962 644 HD12 LEU 102 HD12 LEU 102 9.491 7.814 -6.377 645 HD13 LEU 102 HD13 LEU 102 9.539 6.046 -6.333 646 HD21 LEU 102 HD21 LEU 102 11.512 9.121 -6.640 647 HD22 LEU 102 HD22 LEU 102 12.309 8.321 -5.272 648 HD23 LEU 102 HD23 LEU 102 13.086 8.358 -6.879 649 H ARG 103 H ARG 103 13.385 3.179 -7.750 650 HA ARG 103 HA ARG 103 13.819 1.503 -5.735 651 HB2 ARG 103 HB2 ARG 103 14.685 1.212 -8.623 652 HB3 ARG 103 HB3 ARG 103 14.985 -0.096 -7.486 653 HG2 ARG 103 HG2 ARG 103 12.524 -0.186 -6.988 654 HG3 ARG 103 HG3 ARG 103 12.270 0.976 -8.304 655 HD2 ARG 103 HD2 ARG 103 13.443 -0.561 -9.865 656 HD3 ARG 103 HD3 ARG 103 13.562 -1.756 -8.574 657 HE ARG 103 HE ARG 103 11.048 -1.710 -8.466 658 HH11 ARG 103 HH11 ARG 103 12.552 -0.886 -11.585 659 HH12 ARG 103 HH12 ARG 103 11.150 -1.460 -12.446 660 HH21 ARG 103 HH21 ARG 103 9.340 -2.361 -9.681 661 HH22 ARG 103 HH22 ARG 103 9.394 -2.240 -11.415 662 H LYS 104 H LYS 104 16.535 2.840 -7.516 663 HA LYS 104 HA LYS 104 18.545 1.592 -5.739 664 HB2 LYS 104 HB2 LYS 104 20.067 2.309 -7.692 665 HB3 LYS 104 HB3 LYS 104 19.035 0.909 -7.837 666 HG2 LYS 104 HG2 LYS 104 19.159 2.273 -9.894 667 HG3 LYS 104 HG3 LYS 104 17.534 2.011 -9.305 668 HD2 LYS 104 HD2 LYS 104 17.774 4.286 -10.129 669 HD3 LYS 104 HD3 LYS 104 17.414 4.281 -8.413 670 HE2 LYS 104 HE2 LYS 104 19.016 5.986 -8.777 671 HE3 LYS 104 HE3 LYS 104 19.821 4.689 -7.902 672 HZ1 LYS 104 HZ1 LYS 104 20.044 5.139 -10.856 673 HZ2 LYS 104 HZ2 LYS 104 21.196 5.522 -9.771 674 HZ3 LYS 104 HZ3 LYS 104 20.826 3.959 -10.038 675 H ASN 105 H ASN 105 17.058 4.515 -5.725 676 HA ASN 105 HA ASN 105 19.460 5.903 -4.524 677 HB2 ASN 105 HB2 ASN 105 17.907 6.758 -6.759 678 HB3 ASN 105 HB3 ASN 105 17.421 7.745 -5.379 679 HD21 ASN 105 HD22 ASN 105 20.626 6.287 -6.324 680 HD22 ASN 105 HD21 ASN 105 21.434 7.831 -6.274 681 H LEU 106 H LEU 106 16.137 4.956 -4.182 682 HA LEU 106 HA LEU 106 16.135 5.940 -1.362 683 HB2 LEU 106 HB2 LEU 106 15.000 7.576 -2.689 684 HB3 LEU 106 HB3 LEU 106 14.161 6.349 -3.635 685 HG LEU 106 HG LEU 106 12.841 5.702 -1.668 686 HD11 LEU 106 HD11 LEU 106 14.021 8.183 -0.319 687 HD12 LEU 106 HD12 LEU 106 12.758 7.128 0.328 688 HD13 LEU 106 HD13 LEU 106 14.408 6.523 0.172 689 HD21 LEU 106 HD21 LEU 106 12.727 8.638 -2.398 690 HD22 LEU 106 HD22 LEU 106 11.928 7.272 -3.223 691 HD23 LEU 106 HD23 LEU 106 11.445 7.709 -1.577 692 H VAL 107 H VAL 107 15.502 4.550 0.072 693 HA VAL 107 HA VAL 107 13.444 2.506 -0.533 694 HB VAL 107 HB VAL 107 15.928 1.967 1.162 695 HG11 VAL 107 HG11 VAL 107 15.021 -0.339 1.325 696 HG12 VAL 107 HG12 VAL 107 13.936 0.829 2.075 697 HG13 VAL 107 HG13 VAL 107 13.555 0.174 0.464 698 HG21 VAL 107 HG21 VAL 107 15.085 0.776 -1.517 699 HG22 VAL 107 HG22 VAL 107 16.499 1.811 -1.220 700 HG23 VAL 107 HG23 VAL 107 16.432 0.198 -0.510 701 H THR 108 H THR 108 11.813 2.562 1.068 702 HA THR 108 HA THR 108 12.314 4.343 3.415 703 HB THR 108 HB THR 108 11.143 5.451 1.566 704 HG1 THR 108 HG1 THR 108 10.317 6.705 2.964 705 HG21 THR 108 HG21 THR 108 9.471 3.666 1.005 706 HG22 THR 108 HG22 THR 108 8.715 3.926 2.594 707 HG23 THR 108 HG23 THR 108 8.736 5.232 1.396 708 H LEU 109 H LEU 109 10.393 4.263 4.926 709 HA LEU 109 HA LEU 109 10.183 1.446 5.896 710 HB2 LEU 109 HB2 LEU 109 9.311 4.012 7.234 711 HB3 LEU 109 HB3 LEU 109 9.142 2.386 7.887 712 HG LEU 109 HG LEU 109 11.706 3.933 7.402 713 HD11 LEU 109 HD11 LEU 109 12.006 3.532 9.797 714 HD12 LEU 109 HD12 LEU 109 10.435 4.298 9.491 715 HD13 LEU 109 HD13 LEU 109 10.518 2.553 9.827 716 HD21 LEU 109 HD21 LEU 109 11.464 0.977 8.106 717 HD22 LEU 109 HD22 LEU 109 12.265 1.670 6.673 718 HD23 LEU 109 HD23 LEU 109 12.943 1.948 8.274 719 H ALA 110 H ALA 110 8.425 0.195 5.765 720 HA ALA 110 HA ALA 110 5.774 1.304 5.092 721 HB1 ALA 110 HB1 ALA 110 7.282 -0.632 3.273 722 HB2 ALA 110 HB2 ALA 110 5.604 -0.083 3.053 723 HB3 ALA 110 HB3 ALA 110 6.945 1.075 2.915 724 H THR 111 H THR 111 4.050 -0.144 5.431 725 HA THR 111 HA THR 111 4.586 -2.779 6.695 726 HB THR 111 HB THR 111 4.601 -1.046 8.433 727 HG1 THR 111 HG1 THR 111 2.273 -2.624 8.748 728 HG21 THR 111 HG21 THR 111 2.549 0.023 9.206 729 HG22 THR 111 HG22 THR 111 2.974 0.578 7.583 730 HG23 THR 111 HG23 THR 111 1.655 -0.593 7.801 731 HD1 48M 200 HD1 48M 200 2.161 14.903 -13.136 732 HD2 48M 200 HD2 48M 200 2.824 13.387 -9.154 733 HD3 48M 200 HD3 48M 200 1.089 12.098 -12.828 734 HD4 48M 200 HD4 48M 200 -0.091 11.486 -8.736 735 HD5 48M 200 HD5 48M 200 -2.589 13.724 -13.776 736 HE1 48M 200 HE1 48M 200 4.456 14.250 -13.762 737 HE2 48M 200 HE2 48M 200 5.113 12.729 -9.805 738 HE3 48M 200 HE3 48M 200 1.876 9.754 -12.954 739 HE5 48M 200 HE5 48M 200 -3.383 14.237 -16.022 740 HE6 48M 200 HE6 48M 200 -0.428 17.311 -16.405 741 HZ2 48M 200 HZ2 48M 200 1.663 8.267 -10.974 742 HM21 48M 200 HM21 48M 200 2.972 15.888 -15.247 743 HM22 48M 200 HM22 48M 200 1.752 16.183 -16.496 744 HM23 48M 200 HM23 48M 200 3.173 17.219 -16.394 745 HM31 48M 200 HM31 48M 200 2.188 18.935 -13.179 746 HM32 48M 200 HM32 48M 200 3.209 17.494 -13.272 747 HM33 48M 200 HM33 48M 200 3.451 18.835 -14.406 748 HN1 48M 200 HN1 48M 200 -3.494 20.375 -10.969 749 H21 48M 200 H21 48M 200 -2.905 18.088 -9.744 750 H22 48M 200 H22 48M 200 -4.041 18.067 -11.107 751 H31 48M 200 H31 48M 200 -2.226 16.366 -11.223 752 H32 48M 200 H32 48M 200 -2.303 17.419 -12.654 753 H41 48M 200 H41 48M 200 0.132 19.469 -12.413 754 H42 48M 200 H42 48M 200 0.313 19.493 -10.645 755 H7 48M 200 H7 48M 200 -0.762 13.473 -9.832 756 H8 48M 200 H8 48M 200 0.934 14.933 -9.644 757 H9 48M 200 H9 48M 200 1.190 18.406 -15.402 Start of MODEL 13 1 H1 GLN 23 H GLN 23 6.312 16.055 12.492 2 HA GLN 23 HA GLN 23 9.029 16.161 11.446 3 HB2 GLN 23 HB2 GLN 23 8.535 14.946 14.200 4 HB3 GLN 23 HB3 GLN 23 10.008 14.732 13.243 5 HG2 GLN 23 HG2 GLN 23 10.423 17.177 13.308 6 HG3 GLN 23 HG3 GLN 23 8.960 17.410 14.268 7 HE21 GLN 23 HE22 GLN 23 10.929 18.481 15.554 8 HE22 GLN 23 HE21 GLN 23 11.601 17.424 16.791 9 H ILE 24 H ILE 24 9.696 14.286 10.467 10 HA ILE 24 HA ILE 24 7.646 12.151 10.102 11 HB ILE 24 HB ILE 24 9.682 13.336 8.171 12 HG12 ILE 24 HG12 ILE 24 6.677 13.313 7.832 13 HG13 ILE 24 HG13 ILE 24 7.478 14.644 8.667 14 HG21 ILE 24 HG21 ILE 24 7.727 11.002 7.894 15 HG22 ILE 24 HG22 ILE 24 8.438 11.804 6.491 16 HG23 ILE 24 HG23 ILE 24 9.496 11.007 7.648 17 HD11 ILE 24 HD11 ILE 24 7.113 15.304 6.397 18 HD12 ILE 24 HD12 ILE 24 8.856 15.073 6.629 19 HD13 ILE 24 HD13 ILE 24 7.892 13.849 5.765 20 H ASN 25 H ASN 25 8.233 10.040 9.878 21 HA ASN 25 HA ASN 25 10.920 9.254 10.914 22 HB2 ASN 25 HB2 ASN 25 8.306 7.756 11.282 23 HB3 ASN 25 HB3 ASN 25 9.839 7.527 12.116 24 HD21 ASN 25 HD22 ASN 25 10.494 10.087 13.033 25 HD22 ASN 25 HD21 ASN 25 9.191 10.676 14.050 26 H GLN 26 H GLN 26 10.842 9.631 8.332 27 HA GLN 26 HA GLN 26 10.579 7.010 6.915 28 HB2 GLN 26 HB2 GLN 26 9.741 9.684 5.822 29 HB3 GLN 26 HB3 GLN 26 9.787 8.164 4.940 30 HG2 GLN 26 HG2 GLN 26 8.071 8.770 7.319 31 HG3 GLN 26 HG3 GLN 26 7.541 8.621 5.655 32 HE21 GLN 26 HE22 GLN 26 9.065 6.087 5.042 33 HE22 GLN 26 HE21 GLN 26 8.296 4.871 6.043 34 H VAL 27 H VAL 27 11.513 7.682 4.503 35 HA VAL 27 HA VAL 27 14.410 7.780 5.170 36 HB VAL 27 HB VAL 27 13.577 5.587 4.577 37 HG11 VAL 27 HG11 VAL 27 12.572 6.901 2.036 38 HG12 VAL 27 HG12 VAL 27 12.842 5.149 2.160 39 HG13 VAL 27 HG13 VAL 27 11.675 5.941 3.221 40 HG21 VAL 27 HG21 VAL 27 15.117 4.865 2.927 41 HG22 VAL 27 HG22 VAL 27 15.267 6.483 2.221 42 HG23 VAL 27 HG23 VAL 27 15.900 6.138 3.859 43 H ARG 28 H ARG 28 15.985 8.309 3.630 44 HA ARG 28 HA ARG 28 15.325 10.886 2.308 45 HB2 ARG 28 HB2 ARG 28 16.564 10.979 4.381 46 HB3 ARG 28 HB3 ARG 28 17.793 9.879 3.767 47 HG2 ARG 28 HG2 ARG 28 18.636 11.512 2.229 48 HG3 ARG 28 HG3 ARG 28 17.251 12.589 2.478 49 HD2 ARG 28 HD2 ARG 28 17.920 12.833 4.873 50 HD3 ARG 28 HD3 ARG 28 19.330 11.819 4.584 51 HE ARG 28 HE ARG 28 18.940 14.641 3.837 52 HH11 ARG 28 HH11 ARG 28 21.021 11.877 3.156 53 HH12 ARG 28 HH12 ARG 28 22.336 12.924 2.704 54 HH21 ARG 28 HH21 ARG 28 20.496 15.807 3.306 55 HH22 ARG 28 HH22 ARG 28 22.060 15.176 2.781 56 HA PRO 29 HA PRO 29 17.065 9.050 -1.525 57 HB2 PRO 29 HB2 PRO 29 17.051 11.816 -2.576 58 HB3 PRO 29 HB3 PRO 29 16.193 10.380 -3.190 59 HG2 PRO 29 HG2 PRO 29 14.943 12.512 -1.913 60 HG3 PRO 29 HG3 PRO 29 14.314 10.837 -1.898 61 HD2 PRO 29 HD2 PRO 29 15.837 12.309 0.239 62 HD3 PRO 29 HD3 PRO 29 14.502 11.124 0.382 63 H LYS 30 H LYS 30 19.086 9.488 -2.852 64 HA LYS 30 HA LYS 30 21.348 10.457 -1.291 65 HB2 LYS 30 HB2 LYS 30 20.976 9.750 -4.238 66 HB3 LYS 30 HB3 LYS 30 22.488 10.373 -3.594 67 HG2 LYS 30 HG2 LYS 30 22.567 8.519 -1.931 68 HG3 LYS 30 HG3 LYS 30 21.145 7.812 -2.719 69 HD2 LYS 30 HD2 LYS 30 22.908 6.680 -3.766 70 HD3 LYS 30 HD3 LYS 30 22.574 7.989 -4.925 71 HE2 LYS 30 HE2 LYS 30 24.450 9.312 -3.971 72 HE3 LYS 30 HE3 LYS 30 24.738 8.053 -2.765 73 HZ1 LYS 30 HZ1 LYS 30 25.032 7.680 -5.707 74 HZ2 LYS 30 HZ2 LYS 30 26.259 7.834 -4.645 75 HZ3 LYS 30 HZ3 LYS 30 25.297 6.522 -4.582 76 H LEU 31 H LEU 31 22.681 12.233 -1.756 77 HA LEU 31 HA LEU 31 21.595 14.759 -1.807 78 HB2 LEU 31 HB2 LEU 31 24.301 13.687 -2.659 79 HB3 LEU 31 HB3 LEU 31 23.980 15.423 -2.651 80 HG LEU 31 HG LEU 31 23.749 13.612 -0.208 81 HD11 LEU 31 HD11 LEU 31 25.935 15.575 -1.018 82 HD12 LEU 31 HD12 LEU 31 25.855 14.665 0.507 83 HD13 LEU 31 HD13 LEU 31 26.073 13.803 -1.023 84 HD21 LEU 31 HD21 LEU 31 23.680 16.650 -0.495 85 HD22 LEU 31 HD22 LEU 31 22.344 15.611 0.051 86 HD23 LEU 31 HD23 LEU 31 23.796 15.778 1.044 87 HA PRO 32 HA PRO 32 21.983 15.481 -6.509 88 HB2 PRO 32 HB2 PRO 32 22.099 13.332 -8.248 89 HB3 PRO 32 HB3 PRO 32 23.513 14.233 -7.629 90 HG2 PRO 32 HG2 PRO 32 22.335 11.654 -6.538 91 HG3 PRO 32 HG3 PRO 32 24.052 12.018 -6.917 92 HD2 PRO 32 HD2 PRO 32 23.187 12.231 -4.397 93 HD3 PRO 32 HD3 PRO 32 24.237 13.501 -5.066 94 H LEU 33 H LEU 33 20.194 12.440 -5.580 95 HA LEU 33 HA LEU 33 17.973 13.110 -7.355 96 HB2 LEU 33 HB2 LEU 33 18.176 11.124 -5.041 97 HB3 LEU 33 HB3 LEU 33 16.764 11.341 -6.028 98 HG LEU 33 HG LEU 33 19.120 9.726 -6.498 99 HD11 LEU 33 HD11 LEU 33 17.599 8.552 -8.019 100 HD12 LEU 33 HD12 LEU 33 16.725 9.001 -6.540 101 HD13 LEU 33 HD13 LEU 33 16.484 9.935 -8.012 102 HD21 LEU 33 HD21 LEU 33 18.371 11.488 -8.844 103 HD22 LEU 33 HD22 LEU 33 19.964 11.337 -8.076 104 HD23 LEU 33 HD23 LEU 33 19.281 9.970 -8.954 105 H LEU 34 H LEU 34 18.552 13.567 -3.886 106 HA LEU 34 HA LEU 34 16.081 14.751 -3.130 107 HB2 LEU 34 HB2 LEU 34 17.881 13.909 -1.632 108 HB3 LEU 34 HB3 LEU 34 18.954 15.188 -2.170 109 HG LEU 34 HG LEU 34 17.544 16.894 -1.094 110 HD11 LEU 34 HD11 LEU 34 15.834 14.529 -0.194 111 HD12 LEU 34 HD12 LEU 34 15.730 16.173 0.465 112 HD13 LEU 34 HD13 LEU 34 15.317 15.888 -1.223 113 HD21 LEU 34 HD21 LEU 34 18.017 16.252 1.224 114 HD22 LEU 34 HD22 LEU 34 18.201 14.550 0.744 115 HD23 LEU 34 HD23 LEU 34 19.355 15.776 0.172 116 H LYS 35 H LYS 35 18.844 16.193 -4.857 117 HA LYS 35 HA LYS 35 18.326 18.906 -4.394 118 HB2 LYS 35 HB2 LYS 35 20.216 17.460 -5.799 119 HB3 LYS 35 HB3 LYS 35 19.257 18.065 -7.138 120 HG2 LYS 35 HG2 LYS 35 20.931 19.713 -6.791 121 HG3 LYS 35 HG3 LYS 35 19.466 20.387 -6.071 122 HD2 LYS 35 HD2 LYS 35 21.127 20.796 -4.443 123 HD3 LYS 35 HD3 LYS 35 20.326 19.328 -3.828 124 HE2 LYS 35 HE2 LYS 35 22.096 17.909 -4.662 125 HE3 LYS 35 HE3 LYS 35 22.848 19.259 -5.531 126 HZ1 LYS 35 HZ1 LYS 35 23.990 18.833 -3.426 127 HZ2 LYS 35 HZ2 LYS 35 23.313 20.312 -3.382 128 HZ3 LYS 35 HZ3 LYS 35 22.621 19.078 -2.564 129 H ILE 36 H ILE 36 16.781 16.769 -6.759 130 HA ILE 36 HA ILE 36 15.301 18.761 -8.168 131 HB ILE 36 HB ILE 36 14.840 15.785 -7.673 132 HG12 ILE 36 HG12 ILE 36 15.566 15.638 -10.034 133 HG13 ILE 36 HG13 ILE 36 15.978 17.351 -10.023 134 HG21 ILE 36 HG21 ILE 36 13.310 15.870 -9.601 135 HG22 ILE 36 HG22 ILE 36 12.681 16.848 -8.284 136 HG23 ILE 36 HG23 ILE 36 13.459 17.637 -9.674 137 HD11 ILE 36 HD11 ILE 36 17.878 15.712 -9.898 138 HD12 ILE 36 HD12 ILE 36 17.865 16.882 -8.587 139 HD13 ILE 36 HD13 ILE 36 17.287 15.218 -8.308 140 H LEU 37 H LEU 37 14.510 16.762 -5.264 141 HA LEU 37 HA LEU 37 11.812 17.685 -4.916 142 HB2 LEU 37 HB2 LEU 37 13.867 16.491 -2.994 143 HB3 LEU 37 HB3 LEU 37 12.212 16.832 -2.553 144 HG LEU 37 HG LEU 37 11.368 15.161 -4.082 145 HD11 LEU 37 HD11 LEU 37 12.982 15.084 -5.908 146 HD12 LEU 37 HD12 LEU 37 14.244 14.520 -4.771 147 HD13 LEU 37 HD13 LEU 37 12.844 13.504 -5.154 148 HD21 LEU 37 HD21 LEU 37 13.637 14.266 -2.297 149 HD22 LEU 37 HD22 LEU 37 11.953 14.541 -1.805 150 HD23 LEU 37 HD23 LEU 37 12.348 13.197 -2.898 151 H HIS 38 H HIS 38 14.941 18.772 -3.555 152 HA HIS 38 HA HIS 38 13.803 20.912 -1.954 153 HB2 HIS 38 HB2 HIS 38 16.583 20.073 -2.802 154 HB3 HIS 38 HB3 HIS 38 16.315 21.625 -2.003 155 HD2 HIS 38 HD2 HIS 38 13.952 18.995 -0.721 156 HE1 HIS 38 HE1 HIS 38 17.005 19.373 2.227 157 HE2 HIS 38 HE2 HIS 38 14.676 18.431 1.745 158 H ALA 39 H ALA 39 15.221 20.895 -5.253 159 HA ALA 39 HA ALA 39 15.031 23.692 -5.710 160 HB1 ALA 39 HB1 ALA 39 16.336 22.213 -7.128 161 HB2 ALA 39 HB2 ALA 39 14.874 21.309 -7.579 162 HB3 ALA 39 HB3 ALA 39 15.081 22.998 -8.104 163 H ALA 40 H ALA 40 12.574 21.168 -5.699 164 HA ALA 40 HA ALA 40 10.532 22.960 -6.731 165 HB1 ALA 40 HB1 ALA 40 10.772 20.333 -6.881 166 HB2 ALA 40 HB2 ALA 40 9.903 20.366 -5.345 167 HB3 ALA 40 HB3 ALA 40 9.188 21.118 -6.800 168 H GLY 41 H GLY 41 11.835 22.274 -3.533 169 HA2 GLY 41 HA2 GLY 41 11.293 23.401 -1.541 170 HA3 GLY 41 HA3 GLY 41 9.749 23.921 -2.209 171 H ALA 42 H ALA 42 11.519 21.015 -1.106 172 HA ALA 42 HA ALA 42 9.082 19.508 -0.550 173 HB1 ALA 42 HB1 ALA 42 11.207 18.499 -1.403 174 HB2 ALA 42 HB2 ALA 42 11.926 18.799 0.207 175 HB3 ALA 42 HB3 ALA 42 10.534 17.716 0.022 176 H GLN 43 H GLN 43 8.718 18.457 1.566 177 HA GLN 43 HA GLN 43 8.750 20.505 3.676 178 HB2 GLN 43 HB2 GLN 43 6.691 19.242 2.715 179 HB3 GLN 43 HB3 GLN 43 7.197 17.909 3.754 180 HG2 GLN 43 HG2 GLN 43 7.026 19.467 5.736 181 HG3 GLN 43 HG3 GLN 43 6.526 20.759 4.644 182 HE21 GLN 43 HE22 GLN 43 4.413 20.431 3.439 183 HE22 GLN 43 HE21 GLN 43 3.199 19.416 4.206 184 H GLY 44 H GLY 44 11.219 19.068 3.177 185 HA2 GLY 44 HA2 GLY 44 12.541 18.799 5.466 186 HA3 GLY 44 HA3 GLY 44 11.608 17.307 5.539 187 H GLU 45 H GLU 45 13.549 16.160 5.574 188 HA GLU 45 HA GLU 45 14.664 15.583 2.845 189 HB2 GLU 45 HB2 GLU 45 16.106 15.537 5.526 190 HB3 GLU 45 HB3 GLU 45 16.761 14.901 4.012 191 HG2 GLU 45 HG2 GLU 45 16.587 17.134 2.975 192 HG3 GLU 45 HG3 GLU 45 15.992 17.804 4.497 193 H MET 46 H MET 46 12.621 14.372 5.100 194 HA MET 46 HA MET 46 13.307 11.464 4.638 195 HB2 MET 46 HB2 MET 46 12.452 12.898 7.186 196 HB3 MET 46 HB3 MET 46 12.341 11.154 6.958 197 HG2 MET 46 HG2 MET 46 14.775 11.061 6.490 198 HG3 MET 46 HG3 MET 46 14.899 12.793 6.794 199 HE1 MET 46 HE1 MET 46 14.659 13.939 9.139 200 HE2 MET 46 HE2 MET 46 13.037 13.254 9.409 201 HE3 MET 46 HE3 MET 46 14.292 13.078 10.649 202 H PHE 47 H PHE 47 11.702 10.788 3.293 203 HA PHE 47 HA PHE 47 8.848 11.259 4.033 204 HB2 PHE 47 HB2 PHE 47 9.093 11.618 1.187 205 HB3 PHE 47 HB3 PHE 47 8.380 12.656 2.397 206 HD1 PHE 47 HD1 PHE 47 11.816 11.679 1.191 207 HD2 PHE 47 HD2 PHE 47 9.207 14.851 2.486 208 HE1 PHE 47 HE1 PHE 47 13.581 13.315 0.716 209 HE2 PHE 47 HE2 PHE 47 10.951 16.520 1.897 210 HZ PHE 47 HZ PHE 47 13.131 15.763 0.957 211 H THR 48 H THR 48 7.354 9.974 2.671 212 HA THR 48 HA THR 48 8.331 7.249 2.022 213 HB THR 48 HB THR 48 5.902 6.857 1.452 214 HG1 THR 48 HG1 THR 48 5.575 9.466 2.538 215 HG21 THR 48 HG21 THR 48 5.141 6.687 3.614 216 HG22 THR 48 HG22 THR 48 6.908 6.579 3.808 217 HG23 THR 48 HG23 THR 48 6.057 8.097 4.186 218 H VAL 49 H VAL 49 7.582 6.218 -0.042 219 HA VAL 49 HA VAL 49 8.678 7.246 -2.369 220 HB VAL 49 HB VAL 49 8.203 4.932 -1.868 221 HG11 VAL 49 HG11 VAL 49 5.828 5.039 -1.177 222 HG12 VAL 49 HG12 VAL 49 5.382 5.370 -2.875 223 HG13 VAL 49 HG13 VAL 49 6.152 3.841 -2.433 224 HG21 VAL 49 HG21 VAL 49 7.831 4.263 -4.196 225 HG22 VAL 49 HG22 VAL 49 7.208 5.879 -4.583 226 HG23 VAL 49 HG23 VAL 49 8.909 5.663 -4.105 227 H LYS 50 H LYS 50 5.352 7.336 -1.219 228 HA LYS 50 HA LYS 50 4.187 8.566 -3.517 229 HB2 LYS 50 HB2 LYS 50 2.210 8.430 -2.215 230 HB3 LYS 50 HB3 LYS 50 3.161 6.975 -1.922 231 HG2 LYS 50 HG2 LYS 50 3.914 7.851 0.202 232 HG3 LYS 50 HG3 LYS 50 2.993 9.357 -0.029 233 HD2 LYS 50 HD2 LYS 50 0.898 7.974 -0.054 234 HD3 LYS 50 HD3 LYS 50 1.897 6.532 0.274 235 HE2 LYS 50 HE2 LYS 50 2.750 7.611 2.354 236 HE3 LYS 50 HE3 LYS 50 1.744 9.025 2.035 237 HZ1 LYS 50 HZ1 LYS 50 0.699 6.279 2.530 238 HZ2 LYS 50 HZ2 LYS 50 0.657 7.511 3.598 239 HZ3 LYS 50 HZ3 LYS 50 -0.228 7.592 2.232 240 H GLU 51 H GLU 51 5.601 9.896 -0.574 241 HA GLU 51 HA GLU 51 4.818 12.667 -1.162 242 HB2 GLU 51 HB2 GLU 51 6.794 11.421 0.772 243 HB3 GLU 51 HB3 GLU 51 6.495 13.158 0.652 244 HG2 GLU 51 HG2 GLU 51 4.189 12.891 1.316 245 HG3 GLU 51 HG3 GLU 51 4.292 11.137 1.246 246 H VAL 52 H VAL 52 7.943 10.782 -1.391 247 HA VAL 52 HA VAL 52 9.441 12.875 -2.494 248 HB VAL 52 HB VAL 52 10.884 11.213 -3.526 249 HG11 VAL 52 HG11 VAL 52 11.156 12.008 -1.176 250 HG12 VAL 52 HG12 VAL 52 10.237 10.587 -0.620 251 HG13 VAL 52 HG13 VAL 52 11.805 10.378 -1.421 252 HG21 VAL 52 HG21 VAL 52 10.780 8.853 -2.939 253 HG22 VAL 52 HG22 VAL 52 9.150 9.158 -2.331 254 HG23 VAL 52 HG23 VAL 52 9.508 9.334 -4.068 255 H MET 53 H MET 53 7.681 10.390 -4.296 256 HA MET 53 HA MET 53 8.297 11.485 -6.844 257 HB2 MET 53 HB2 MET 53 6.920 9.923 -7.803 258 HB3 MET 53 HB3 MET 53 7.463 9.171 -6.324 259 HG2 MET 53 HG2 MET 53 5.217 8.595 -6.446 260 HG3 MET 53 HG3 MET 53 5.257 9.892 -5.263 261 HE1 MET 53 HE1 MET 53 4.291 8.829 -8.957 262 HE2 MET 53 HE2 MET 53 3.606 10.341 -9.599 263 HE3 MET 53 HE3 MET 53 5.341 10.224 -9.295 264 H HIS 54 H HIS 54 5.754 12.542 -4.611 265 HA HIS 54 HA HIS 54 4.164 13.998 -6.510 266 HB2 HIS 54 HB2 HIS 54 3.413 13.380 -4.235 267 HB3 HIS 54 HB3 HIS 54 4.584 14.500 -3.536 268 HD2 HIS 54 HD2 HIS 54 3.929 17.035 -3.382 269 HE1 HIS 54 HE1 HIS 54 0.217 16.888 -5.482 270 HE2 HIS 54 HE2 HIS 54 1.757 18.356 -4.081 271 H TYR 55 H TYR 55 7.031 14.959 -4.593 272 HA TYR 55 HA TYR 55 7.061 17.692 -5.390 273 HB2 TYR 55 HB2 TYR 55 9.435 15.922 -4.779 274 HB3 TYR 55 HB3 TYR 55 9.431 17.682 -4.783 275 HD1 TYR 55 HD2 TYR 55 7.442 18.738 -3.220 276 HD2 TYR 55 HD1 TYR 55 9.413 14.960 -2.660 277 HE1 TYR 55 HE2 TYR 55 6.693 18.700 -0.844 278 HE2 TYR 55 HE1 TYR 55 8.722 14.938 -0.274 279 HH TYR 55 HH TYR 55 7.516 16.026 1.385 280 H LEU 56 H LEU 56 7.942 14.824 -7.282 281 HA LEU 56 HA LEU 56 9.517 16.267 -9.269 282 HB2 LEU 56 HB2 LEU 56 7.887 13.755 -9.723 283 HB3 LEU 56 HB3 LEU 56 9.266 14.327 -10.657 284 HG LEU 56 HG LEU 56 9.308 13.239 -7.821 285 HD11 LEU 56 HD11 LEU 56 10.419 11.320 -8.740 286 HD12 LEU 56 HD12 LEU 56 8.910 11.568 -9.634 287 HD13 LEU 56 HD13 LEU 56 10.463 12.056 -10.361 288 HD21 LEU 56 HD21 LEU 56 11.665 14.046 -9.550 289 HD22 LEU 56 HD22 LEU 56 11.101 14.904 -8.094 290 HD23 LEU 56 HD23 LEU 56 11.744 13.262 -7.961 291 H GLY 57 H GLY 57 6.053 15.356 -8.967 292 HA2 GLY 57 HA2 GLY 57 5.089 16.492 -11.384 293 HA3 GLY 57 HA3 GLY 57 4.168 16.279 -9.888 294 H GLN 58 H GLN 58 5.307 17.999 -8.096 295 HA GLN 58 HA GLN 58 4.458 20.560 -9.052 296 HB2 GLN 58 HB2 GLN 58 4.526 21.255 -6.941 297 HB3 GLN 58 HB3 GLN 58 4.648 19.536 -6.599 298 HG2 GLN 58 HG2 GLN 58 7.191 19.871 -6.495 299 HG3 GLN 58 HG3 GLN 58 6.920 21.590 -6.679 300 HE21 GLN 58 HE22 GLN 58 7.755 22.141 -4.533 301 HE22 GLN 58 HE21 GLN 58 7.024 21.531 -3.072 302 H TYR 59 H TYR 59 7.760 19.159 -8.794 303 HA TYR 59 HA TYR 59 9.236 21.481 -9.405 304 HB2 TYR 59 HB2 TYR 59 10.258 19.363 -8.669 305 HB3 TYR 59 HB3 TYR 59 9.745 18.567 -10.115 306 HD1 TYR 59 HD1 TYR 59 10.683 19.220 -12.350 307 HD2 TYR 59 HD2 TYR 59 12.370 20.637 -8.634 308 HE1 TYR 59 HE1 TYR 59 12.901 19.480 -13.447 309 HE2 TYR 59 HE2 TYR 59 14.597 20.808 -9.734 310 HH TYR 59 HH TYR 59 15.833 20.429 -11.633 311 H ILE 60 H ILE 60 7.858 18.944 -11.621 312 HA ILE 60 HA ILE 60 8.647 20.208 -14.070 313 HB ILE 60 HB ILE 60 6.299 18.384 -13.462 314 HG12 ILE 60 HG12 ILE 60 8.844 17.449 -14.819 315 HG13 ILE 60 HG13 ILE 60 8.833 17.613 -13.074 316 HG21 ILE 60 HG21 ILE 60 7.581 19.037 -16.163 317 HG22 ILE 60 HG22 ILE 60 6.351 17.785 -15.872 318 HG23 ILE 60 HG23 ILE 60 5.957 19.485 -15.625 319 HD11 ILE 60 HD11 ILE 60 6.732 16.204 -12.991 320 HD12 ILE 60 HD12 ILE 60 6.983 15.850 -14.709 321 HD13 ILE 60 HD13 ILE 60 8.207 15.384 -13.498 322 H MET 61 H MET 61 5.642 20.522 -12.127 323 HA MET 61 HA MET 61 4.269 22.203 -13.938 324 HB2 MET 61 HB2 MET 61 3.374 20.926 -11.924 325 HB3 MET 61 HB3 MET 61 4.016 22.212 -10.902 326 HG2 MET 61 HG2 MET 61 1.672 22.575 -11.282 327 HG3 MET 61 HG3 MET 61 2.562 23.850 -12.102 328 HE1 MET 61 HE1 MET 61 1.318 24.748 -14.040 329 HE2 MET 61 HE2 MET 61 2.770 24.043 -14.781 330 HE3 MET 61 HE3 MET 61 1.187 23.824 -15.553 331 H VAL 62 H VAL 62 6.520 23.117 -11.258 332 HA VAL 62 HA VAL 62 6.248 25.965 -11.851 333 HB VAL 62 HB VAL 62 6.747 25.109 -9.611 334 HG11 VAL 62 HG11 VAL 62 9.015 24.602 -8.891 335 HG12 VAL 62 HG12 VAL 62 8.440 23.404 -10.034 336 HG13 VAL 62 HG13 VAL 62 9.599 24.644 -10.564 337 HG21 VAL 62 HG21 VAL 62 8.311 26.862 -8.993 338 HG22 VAL 62 HG22 VAL 62 8.865 27.004 -10.676 339 HG23 VAL 62 HG23 VAL 62 7.198 27.463 -10.240 340 H LYS 63 H LYS 63 8.691 23.506 -12.634 341 HA LYS 63 HA LYS 63 10.362 25.289 -14.200 342 HB2 LYS 63 HB2 LYS 63 10.236 22.259 -14.095 343 HB3 LYS 63 HB3 LYS 63 11.502 23.199 -14.887 344 HG2 LYS 63 HG2 LYS 63 10.957 23.245 -11.912 345 HG3 LYS 63 HG3 LYS 63 12.203 22.327 -12.752 346 HD2 LYS 63 HD2 LYS 63 13.002 24.683 -13.627 347 HD3 LYS 63 HD3 LYS 63 11.976 25.309 -12.323 348 HE2 LYS 63 HE2 LYS 63 13.954 25.063 -11.154 349 HE3 LYS 63 HE3 LYS 63 13.203 23.486 -10.849 350 HZ1 LYS 63 HZ1 LYS 63 14.583 22.613 -12.749 351 HZ2 LYS 63 HZ2 LYS 63 15.246 24.078 -12.964 352 HZ3 LYS 63 HZ3 LYS 63 15.548 23.264 -11.590 353 H GLN 64 H GLN 64 7.396 23.844 -15.072 354 HA GLN 64 HA GLN 64 6.352 23.137 -16.822 355 HB2 GLN 64 HB2 GLN 64 5.996 24.689 -18.665 356 HB3 GLN 64 HB3 GLN 64 5.772 25.371 -17.065 357 HG2 GLN 64 HG2 GLN 64 8.507 25.795 -17.844 358 HG3 GLN 64 HG3 GLN 64 7.494 26.273 -19.191 359 HE21 GLN 64 HE22 GLN 64 7.701 26.669 -15.560 360 HE22 GLN 64 HE21 GLN 64 7.075 28.283 -15.575 361 H LEU 65 H LEU 65 7.908 21.368 -16.727 362 HA LEU 65 HA LEU 65 9.651 21.213 -19.103 363 HB2 LEU 65 HB2 LEU 65 9.657 19.463 -16.614 364 HB3 LEU 65 HB3 LEU 65 10.642 19.187 -18.031 365 HG LEU 65 HG LEU 65 10.825 21.540 -16.160 366 HD11 LEU 65 HD11 LEU 65 12.777 19.289 -16.700 367 HD12 LEU 65 HD12 LEU 65 12.948 20.601 -15.520 368 HD13 LEU 65 HD13 LEU 65 11.668 19.383 -15.319 369 HD21 LEU 65 HD21 LEU 65 12.475 20.914 -18.645 370 HD22 LEU 65 HD22 LEU 65 11.447 22.344 -18.385 371 HD23 LEU 65 HD23 LEU 65 12.908 22.127 -17.419 372 H TYR 66 H TYR 66 6.922 21.232 -19.504 373 HA TYR 66 HA TYR 66 6.538 18.453 -20.463 374 HB2 TYR 66 HB2 TYR 66 4.066 18.844 -20.314 375 HB3 TYR 66 HB3 TYR 66 4.938 18.654 -18.808 376 HD1 TYR 66 HD1 TYR 66 3.720 21.355 -21.141 377 HD2 TYR 66 HD2 TYR 66 4.641 20.169 -17.133 378 HE1 TYR 66 HE1 TYR 66 2.909 23.563 -20.345 379 HE2 TYR 66 HE2 TYR 66 3.811 22.399 -16.281 380 HH TYR 66 HH TYR 66 2.562 24.923 -18.506 381 H ASP 67 H ASP 67 4.946 18.278 -22.334 382 HA ASP 67 HA ASP 67 5.819 19.996 -24.523 383 HB2 ASP 67 HB2 ASP 67 5.303 17.528 -24.685 384 HB3 ASP 67 HB3 ASP 67 3.598 17.957 -24.527 385 H GLN 68 H GLN 68 4.766 21.479 -25.596 386 HA GLN 68 HA GLN 68 2.966 23.312 -24.505 387 HB2 GLN 68 HB2 GLN 68 3.025 22.896 -27.513 388 HB3 GLN 68 HB3 GLN 68 3.009 24.375 -26.586 389 HG2 GLN 68 HG2 GLN 68 5.054 24.205 -27.727 390 HG3 GLN 68 HG3 GLN 68 5.392 23.960 -25.998 391 HE21 GLN 68 HE22 GLN 68 4.589 21.881 -28.909 392 HE22 GLN 68 HE21 GLN 68 5.743 20.644 -28.448 393 H GLN 69 H GLN 69 2.349 20.737 -26.831 394 HA GLN 69 HA GLN 69 -0.592 21.148 -26.823 395 HB2 GLN 69 HB2 GLN 69 1.320 19.460 -28.447 396 HB3 GLN 69 HB3 GLN 69 -0.374 19.015 -28.351 397 HG2 GLN 69 HG2 GLN 69 -0.085 20.339 -30.310 398 HG3 GLN 69 HG3 GLN 69 -1.060 21.243 -29.159 399 HE21 GLN 69 HE22 GLN 69 2.250 20.978 -30.557 400 HE22 GLN 69 HE21 GLN 69 2.603 22.687 -30.329 401 H GLU 70 H GLU 70 1.731 18.786 -25.522 402 HA GLU 70 HA GLU 70 -0.544 17.366 -24.150 403 HB2 GLU 70 HB2 GLU 70 2.018 16.235 -25.324 404 HB3 GLU 70 HB3 GLU 70 0.959 15.371 -24.206 405 HG2 GLU 70 HG2 GLU 70 -0.962 15.815 -25.823 406 HG3 GLU 70 HG3 GLU 70 0.248 16.366 -26.984 407 H GLN 71 H GLN 71 -0.429 18.783 -22.340 408 HA GLN 71 HA GLN 71 1.796 19.333 -20.763 409 HB2 GLN 71 HB2 GLN 71 -1.182 19.088 -20.320 410 HB3 GLN 71 HB3 GLN 71 -0.126 19.377 -18.931 411 HG2 GLN 71 HG2 GLN 71 -0.842 21.490 -19.599 412 HG3 GLN 71 HG3 GLN 71 0.831 21.386 -20.122 413 HE21 GLN 71 HE22 GLN 71 1.159 20.947 -22.606 414 HE22 GLN 71 HE21 GLN 71 -0.054 21.718 -23.601 415 H HIS 72 H HIS 72 -0.050 16.299 -20.750 416 HA HIS 72 HA HIS 72 1.192 15.238 -18.351 417 HB2 HIS 72 HB2 HIS 72 -0.059 13.164 -19.185 418 HB3 HIS 72 HB3 HIS 72 -1.048 14.586 -18.887 419 HD2 HIS 72 HD2 HIS 72 0.403 12.434 -21.675 420 HE1 HIS 72 HE1 HIS 72 -2.091 15.340 -23.597 421 HE2 HIS 72 HE2 HIS 72 -0.628 13.278 -24.005 422 H MET 73 H MET 73 2.365 15.581 -21.559 423 HA MET 73 HA MET 73 4.304 13.332 -21.328 424 HB2 MET 73 HB2 MET 73 3.820 15.362 -23.546 425 HB3 MET 73 HB3 MET 73 5.089 14.152 -23.546 426 HG2 MET 73 HG2 MET 73 2.114 13.549 -23.455 427 HG3 MET 73 HG3 MET 73 3.107 13.531 -24.905 428 HE1 MET 73 HE1 MET 73 5.059 11.816 -25.377 429 HE2 MET 73 HE2 MET 73 5.861 12.029 -23.801 430 HE3 MET 73 HE3 MET 73 5.421 10.405 -24.360 431 H VAL 74 H VAL 74 6.266 13.695 -20.480 432 HA VAL 74 HA VAL 74 6.926 16.492 -19.632 433 HB VAL 74 HB VAL 74 7.912 13.888 -18.414 434 HG11 VAL 74 HG11 VAL 74 7.715 16.740 -17.354 435 HG12 VAL 74 HG12 VAL 74 8.413 15.361 -16.501 436 HG13 VAL 74 HG13 VAL 74 9.196 15.981 -17.949 437 HG21 VAL 74 HG21 VAL 74 5.474 13.877 -18.123 438 HG22 VAL 74 HG22 VAL 74 6.230 14.330 -16.599 439 HG23 VAL 74 HG23 VAL 74 5.492 15.584 -17.621 440 H TYR 75 H TYR 75 8.905 17.317 -20.127 441 HA TYR 75 HA TYR 75 10.941 15.803 -21.696 442 HB2 TYR 75 HB2 TYR 75 9.493 18.352 -22.435 443 HB3 TYR 75 HB3 TYR 75 11.066 17.920 -23.107 444 HD1 TYR 75 HD1 TYR 75 11.399 15.699 -24.226 445 HD2 TYR 75 HD2 TYR 75 7.482 17.240 -23.280 446 HE1 TYR 75 HE1 TYR 75 10.385 14.005 -25.707 447 HE2 TYR 75 HE2 TYR 75 6.464 15.557 -24.817 448 HH TYR 75 HH TYR 75 8.424 13.161 -26.618 449 H CYS 76 H CYS 76 12.469 15.783 -20.109 450 HA CYS 76 HA CYS 76 13.216 18.239 -18.613 451 HB2 CYS 76 HB2 CYS 76 13.655 15.298 -17.945 452 HB3 CYS 76 HB3 CYS 76 14.115 16.678 -16.927 453 HG CYS 76 HG CYS 76 11.099 15.890 -18.018 454 H GLY 77 H GLY 77 14.345 17.094 -21.353 455 HA2 GLY 77 HA2 GLY 77 17.004 16.300 -21.074 456 HA3 GLY 77 HA3 GLY 77 16.389 17.230 -22.439 457 H GLY 78 H GLY 78 18.680 17.197 -20.085 458 HA2 GLY 78 HA2 GLY 78 20.388 18.746 -19.758 459 HA3 GLY 78 HA3 GLY 78 19.401 20.027 -20.447 460 H ASP 79 H ASP 79 17.435 18.599 -18.064 461 HA ASP 79 HA ASP 79 18.440 20.529 -16.012 462 HB2 ASP 79 HB2 ASP 79 15.897 20.344 -16.964 463 HB3 ASP 79 HB3 ASP 79 15.784 19.263 -15.594 464 H LEU 80 H LEU 80 18.051 19.901 -13.718 465 HA LEU 80 HA LEU 80 19.561 17.588 -12.986 466 HB2 LEU 80 HB2 LEU 80 18.039 19.727 -11.627 467 HB3 LEU 80 HB3 LEU 80 17.922 18.192 -10.783 468 HG LEU 80 HG LEU 80 20.597 19.366 -11.654 469 HD11 LEU 80 HD11 LEU 80 19.504 20.971 -10.165 470 HD12 LEU 80 HD12 LEU 80 19.144 19.688 -8.992 471 HD13 LEU 80 HD13 LEU 80 20.830 20.163 -9.317 472 HD21 LEU 80 HD21 LEU 80 19.935 17.364 -9.441 473 HD22 LEU 80 HD22 LEU 80 20.529 16.916 -11.045 474 HD23 LEU 80 HD23 LEU 80 21.543 17.887 -9.971 475 H LEU 81 H LEU 81 15.967 18.044 -13.012 476 HA LEU 81 HA LEU 81 15.380 15.444 -12.167 477 HB2 LEU 81 HB2 LEU 81 13.689 17.135 -12.285 478 HB3 LEU 81 HB3 LEU 81 13.894 17.323 -14.031 479 HG LEU 81 HG LEU 81 12.888 15.125 -14.431 480 HD11 LEU 81 HD11 LEU 81 13.545 13.977 -12.304 481 HD12 LEU 81 HD12 LEU 81 12.388 15.002 -11.436 482 HD13 LEU 81 HD13 LEU 81 11.817 13.841 -12.651 483 HD21 LEU 81 HD21 LEU 81 10.618 15.667 -13.776 484 HD22 LEU 81 HD22 LEU 81 11.191 16.756 -12.491 485 HD23 LEU 81 HD23 LEU 81 11.451 17.171 -14.198 486 H GLY 82 H GLY 82 16.188 16.524 -15.487 487 HA2 GLY 82 HA2 GLY 82 15.761 13.998 -16.822 488 HA3 GLY 82 HA3 GLY 82 16.799 15.328 -17.363 489 H GLU 83 H GLU 83 18.632 15.446 -15.177 490 HA GLU 83 HA GLU 83 20.384 13.241 -15.753 491 HB2 GLU 83 HB2 GLU 83 21.865 14.679 -15.063 492 HB3 GLU 83 HB3 GLU 83 20.591 15.799 -14.598 493 HG2 GLU 83 HG2 GLU 83 20.585 14.952 -12.328 494 HG3 GLU 83 HG3 GLU 83 21.716 13.667 -12.749 495 H LEU 84 H LEU 84 18.252 13.899 -12.958 496 HA LEU 84 HA LEU 84 18.876 11.618 -11.414 497 HB2 LEU 84 HB2 LEU 84 17.669 13.285 -10.382 498 HB3 LEU 84 HB3 LEU 84 16.560 13.524 -11.706 499 HG LEU 84 HG LEU 84 16.429 11.059 -9.942 500 HD11 LEU 84 HD11 LEU 84 14.701 12.183 -8.677 501 HD12 LEU 84 HD12 LEU 84 16.139 13.211 -8.659 502 HD13 LEU 84 HD13 LEU 84 14.786 13.603 -9.743 503 HD21 LEU 84 HD21 LEU 84 15.003 10.486 -11.646 504 HD22 LEU 84 HD22 LEU 84 13.882 11.529 -10.772 505 HD23 LEU 84 HD23 LEU 84 14.753 12.159 -12.168 506 H LEU 85 H LEU 85 16.529 12.021 -14.047 507 HA LEU 85 HA LEU 85 15.574 9.280 -13.991 508 HB2 LEU 85 HB2 LEU 85 15.194 11.776 -15.586 509 HB3 LEU 85 HB3 LEU 85 14.925 10.318 -16.487 510 HG LEU 85 HG LEU 85 13.639 10.576 -13.762 511 HD11 LEU 85 HD11 LEU 85 12.608 11.728 -16.373 512 HD12 LEU 85 HD12 LEU 85 11.674 11.565 -14.860 513 HD13 LEU 85 HD13 LEU 85 13.075 12.644 -14.924 514 HD21 LEU 85 HD21 LEU 85 13.564 8.394 -14.967 515 HD22 LEU 85 HD22 LEU 85 11.954 9.116 -14.809 516 HD23 LEU 85 HD23 LEU 85 12.804 9.207 -16.357 517 H GLY 86 H GLY 86 18.219 10.855 -15.750 518 HA2 GLY 86 HA2 GLY 86 19.917 9.945 -17.051 519 HA3 GLY 86 HA3 GLY 86 19.259 8.320 -16.820 520 H ARG 87 H ARG 87 16.948 10.620 -17.837 521 HA ARG 87 HA ARG 87 17.180 10.264 -20.740 522 HB2 ARG 87 HB2 ARG 87 14.941 9.266 -20.986 523 HB3 ARG 87 HB3 ARG 87 16.119 8.190 -20.229 524 HG2 ARG 87 HG2 ARG 87 15.130 8.742 -18.000 525 HG3 ARG 87 HG3 ARG 87 13.874 9.687 -18.813 526 HD2 ARG 87 HD2 ARG 87 14.445 6.710 -19.156 527 HD3 ARG 87 HD3 ARG 87 13.141 7.422 -18.200 528 HE ARG 87 HE ARG 87 12.278 8.446 -20.329 529 HH11 ARG 87 HH11 ARG 87 14.052 5.420 -20.611 530 HH12 ARG 87 HH12 ARG 87 13.343 5.076 -22.164 531 HH21 ARG 87 HH21 ARG 87 11.484 7.983 -22.252 532 HH22 ARG 87 HH22 ARG 87 11.889 6.495 -23.073 533 H GLN 88 H GLN 88 16.137 11.699 -21.904 534 HA GLN 88 HA GLN 88 15.380 14.207 -20.640 535 HB2 GLN 88 HB2 GLN 88 15.135 14.985 -22.902 536 HB3 GLN 88 HB3 GLN 88 16.615 14.025 -22.763 537 HG2 GLN 88 HG2 GLN 88 15.446 12.110 -23.870 538 HG3 GLN 88 HG3 GLN 88 13.990 13.100 -24.019 539 HE21 GLN 88 HE22 GLN 88 14.155 15.122 -25.397 540 HE22 GLN 88 HE21 GLN 88 15.326 15.102 -26.706 541 H SER 89 H SER 89 13.474 11.447 -21.432 542 HA SER 89 HA SER 89 11.043 13.039 -20.794 543 HB2 SER 89 HB2 SER 89 9.866 12.409 -22.886 544 HB3 SER 89 HB3 SER 89 11.310 13.381 -23.206 545 HG SER 89 HG SER 89 11.130 11.521 -24.605 546 H PHE 90 H PHE 90 9.140 12.083 -20.477 547 HA PHE 90 HA PHE 90 8.610 9.240 -20.435 548 HB2 PHE 90 HB2 PHE 90 8.372 8.952 -18.058 549 HB3 PHE 90 HB3 PHE 90 10.022 9.400 -18.411 550 HD1 PHE 90 HD2 PHE 90 10.798 11.782 -17.989 551 HD2 PHE 90 HD1 PHE 90 6.993 10.296 -16.600 552 HE1 PHE 90 HE2 PHE 90 10.682 13.622 -16.350 553 HE2 PHE 90 HE1 PHE 90 6.876 12.128 -14.948 554 HZ PHE 90 HZ PHE 90 8.787 13.717 -14.701 555 H SER 91 H SER 91 6.355 9.118 -18.980 556 HA SER 91 HA SER 91 4.714 11.567 -19.533 557 HB2 SER 91 HB2 SER 91 4.415 10.072 -21.426 558 HB3 SER 91 HB3 SER 91 4.030 8.724 -20.346 559 HG SER 91 HG SER 91 2.202 9.987 -21.292 560 H VAL 92 H VAL 92 2.981 11.859 -18.279 561 HA VAL 92 HA VAL 92 2.674 10.930 -15.592 562 HB VAL 92 HB VAL 92 0.943 12.131 -17.707 563 HG11 VAL 92 HG11 VAL 92 -0.834 12.683 -16.243 564 HG12 VAL 92 HG12 VAL 92 -0.698 10.947 -16.387 565 HG13 VAL 92 HG13 VAL 92 -0.093 11.750 -14.907 566 HG21 VAL 92 HG21 VAL 92 2.672 13.576 -16.711 567 HG22 VAL 92 HG22 VAL 92 1.041 14.160 -16.366 568 HG23 VAL 92 HG23 VAL 92 1.957 13.313 -15.105 569 H LYS 93 H LYS 93 1.646 9.659 -18.693 570 HA LYS 93 HA LYS 93 -0.131 7.569 -17.567 571 HB2 LYS 93 HB2 LYS 93 0.428 8.453 -20.428 572 HB3 LYS 93 HB3 LYS 93 -0.800 7.283 -19.938 573 HG2 LYS 93 HG2 LYS 93 -2.046 8.968 -18.712 574 HG3 LYS 93 HG3 LYS 93 -0.776 10.175 -18.949 575 HD2 LYS 93 HD2 LYS 93 -1.140 10.123 -21.391 576 HD3 LYS 93 HD3 LYS 93 -2.478 8.973 -21.162 577 HE2 LYS 93 HE2 LYS 93 -3.708 10.589 -19.801 578 HE3 LYS 93 HE3 LYS 93 -2.339 11.704 -19.795 579 HZ1 LYS 93 HZ1 LYS 93 -2.634 12.008 -22.195 580 HZ2 LYS 93 HZ2 LYS 93 -3.890 10.952 -22.222 581 HZ3 LYS 93 HZ3 LYS 93 -4.021 12.368 -21.421 582 H ASP 94 H ASP 94 3.101 7.759 -18.036 583 HA ASP 94 HA ASP 94 3.418 4.834 -18.150 584 HB2 ASP 94 HB2 ASP 94 3.655 5.553 -20.498 585 HB3 ASP 94 HB3 ASP 94 4.917 6.692 -20.031 586 HA PRO 95 HA PRO 95 5.734 7.373 -14.998 587 HB2 PRO 95 HB2 PRO 95 4.937 6.154 -12.704 588 HB3 PRO 95 HB3 PRO 95 3.856 7.237 -13.624 589 HG2 PRO 95 HG2 PRO 95 3.964 4.211 -13.776 590 HG3 PRO 95 HG3 PRO 95 2.533 5.255 -13.476 591 HD2 PRO 95 HD2 PRO 95 3.125 4.373 -15.973 592 HD3 PRO 95 HD3 PRO 95 2.513 6.034 -15.708 593 H SER 96 H SER 96 5.978 4.005 -15.738 594 HA SER 96 HA SER 96 7.446 2.811 -13.862 595 HB2 SER 96 HB2 SER 96 7.944 2.507 -16.840 596 HB3 SER 96 HB3 SER 96 8.336 1.322 -15.579 597 HG SER 96 HG SER 96 6.298 0.895 -16.594 598 HA PRO 97 HA PRO 97 11.782 4.179 -15.356 599 HB2 PRO 97 HB2 PRO 97 11.373 7.023 -16.220 600 HB3 PRO 97 HB3 PRO 97 12.450 5.757 -16.900 601 HG2 PRO 97 HG2 PRO 97 10.149 6.465 -18.145 602 HG3 PRO 97 HG3 PRO 97 10.633 4.722 -18.022 603 HD2 PRO 97 HD2 PRO 97 8.687 6.264 -16.328 604 HD3 PRO 97 HD3 PRO 97 8.468 4.689 -17.149 605 H LEU 98 H LEU 98 9.613 6.668 -14.021 606 HA LEU 98 HA LEU 98 11.385 7.828 -12.078 607 HB2 LEU 98 HB2 LEU 98 8.382 7.286 -11.829 608 HB3 LEU 98 HB3 LEU 98 9.301 8.499 -10.984 609 HG LEU 98 HG LEU 98 8.847 8.544 -13.991 610 HD11 LEU 98 HD11 LEU 98 7.097 10.196 -13.521 611 HD12 LEU 98 HD12 LEU 98 6.705 8.628 -12.808 612 HD13 LEU 98 HD13 LEU 98 7.304 9.944 -11.773 613 HD21 LEU 98 HD21 LEU 98 9.526 10.864 -13.820 614 HD22 LEU 98 HD22 LEU 98 9.598 10.772 -12.052 615 HD23 LEU 98 HD23 LEU 98 10.785 9.897 -13.036 616 H TYR 99 H TYR 99 9.225 4.992 -12.159 617 HA TYR 99 HA TYR 99 9.535 4.451 -9.301 618 HB2 TYR 99 HB2 TYR 99 8.177 3.049 -11.603 619 HB3 TYR 99 HB3 TYR 99 8.455 2.198 -10.097 620 HD1 TYR 99 HD1 TYR 99 6.942 5.420 -11.403 621 HD2 TYR 99 HD2 TYR 99 7.003 2.436 -8.275 622 HE1 TYR 99 HE1 TYR 99 4.958 6.476 -10.348 623 HE2 TYR 99 HE2 TYR 99 5.013 3.504 -7.227 624 HH TYR 99 HH TYR 99 3.411 6.384 -8.635 625 H ASP 100 H ASP 100 11.042 3.145 -12.266 626 HA ASP 100 HA ASP 100 12.743 1.268 -11.014 627 HB2 ASP 100 HB2 ASP 100 12.297 1.711 -13.496 628 HB3 ASP 100 HB3 ASP 100 13.500 2.971 -13.375 629 H MET 101 H MET 101 13.287 4.759 -11.610 630 HA MET 101 HA MET 101 15.896 4.642 -10.358 631 HB2 MET 101 HB2 MET 101 16.238 6.909 -10.662 632 HB3 MET 101 HB3 MET 101 15.515 6.216 -12.110 633 HG2 MET 101 HG2 MET 101 14.492 8.254 -11.845 634 HG3 MET 101 HG3 MET 101 13.311 7.070 -11.285 635 HE1 MET 101 HE1 MET 101 11.673 8.616 -9.842 636 HE2 MET 101 HE2 MET 101 12.311 10.096 -9.099 637 HE3 MET 101 HE3 MET 101 12.514 9.806 -10.845 638 H LEU 102 H LEU 102 12.708 5.118 -8.906 639 HA LEU 102 HA LEU 102 13.822 6.137 -6.402 640 HB2 LEU 102 HB2 LEU 102 11.096 5.025 -7.204 641 HB3 LEU 102 HB3 LEU 102 11.471 5.627 -5.592 642 HG LEU 102 HG LEU 102 11.676 7.329 -8.096 643 HD11 LEU 102 HD11 LEU 102 9.417 7.209 -6.062 644 HD12 LEU 102 HD12 LEU 102 9.544 8.326 -7.443 645 HD13 LEU 102 HD13 LEU 102 9.346 6.593 -7.730 646 HD21 LEU 102 HD21 LEU 102 13.010 8.235 -6.268 647 HD22 LEU 102 HD22 LEU 102 11.575 9.229 -6.512 648 HD23 LEU 102 HD23 LEU 102 11.625 8.083 -5.154 649 H ARG 103 H ARG 103 12.759 2.957 -7.760 650 HA ARG 103 HA ARG 103 12.678 1.664 -5.314 651 HB2 ARG 103 HB2 ARG 103 12.313 -0.299 -6.404 652 HB3 ARG 103 HB3 ARG 103 11.690 0.989 -7.452 653 HG2 ARG 103 HG2 ARG 103 13.590 0.744 -8.937 654 HG3 ARG 103 HG3 ARG 103 14.307 -0.513 -7.906 655 HD2 ARG 103 HD2 ARG 103 12.407 -1.950 -8.260 656 HD3 ARG 103 HD3 ARG 103 11.521 -0.672 -9.104 657 HE ARG 103 HE ARG 103 13.539 -0.795 -10.798 658 HH11 ARG 103 HH11 ARG 103 12.082 -3.659 -9.348 659 HH12 ARG 103 HH12 ARG 103 12.471 -4.622 -10.748 660 HH21 ARG 103 HH21 ARG 103 13.904 -1.963 -12.444 661 HH22 ARG 103 HH22 ARG 103 13.523 -3.686 -12.502 662 H LYS 104 H LYS 104 15.519 2.060 -7.273 663 HA LYS 104 HA LYS 104 17.211 0.777 -5.225 664 HB2 LYS 104 HB2 LYS 104 19.029 1.403 -6.965 665 HB3 LYS 104 HB3 LYS 104 18.029 -0.023 -7.119 666 HG2 LYS 104 HG2 LYS 104 18.459 1.109 -9.249 667 HG3 LYS 104 HG3 LYS 104 16.756 0.929 -8.864 668 HD2 LYS 104 HD2 LYS 104 17.163 3.011 -9.925 669 HD3 LYS 104 HD3 LYS 104 16.544 3.229 -8.281 670 HE2 LYS 104 HE2 LYS 104 18.029 4.984 -8.947 671 HE3 LYS 104 HE3 LYS 104 18.643 4.114 -7.529 672 HZ1 LYS 104 HZ1 LYS 104 20.199 2.909 -9.029 673 HZ2 LYS 104 HZ2 LYS 104 19.602 3.681 -10.339 674 HZ3 LYS 104 HZ3 LYS 104 20.420 4.513 -9.204 675 H ASN 105 H ASN 105 16.151 4.022 -5.717 676 HA ASN 105 HA ASN 105 18.685 5.036 -4.482 677 HB2 ASN 105 HB2 ASN 105 17.499 6.260 -6.450 678 HB3 ASN 105 HB3 ASN 105 16.398 6.872 -5.211 679 HD21 ASN 105 HD22 ASN 105 19.851 6.492 -6.062 680 HD22 ASN 105 HD21 ASN 105 20.397 7.765 -5.001 681 H LEU 106 H LEU 106 15.184 4.828 -3.930 682 HA LEU 106 HA LEU 106 15.524 5.524 -1.040 683 HB2 LEU 106 HB2 LEU 106 13.083 5.081 -2.814 684 HB3 LEU 106 HB3 LEU 106 12.984 5.181 -1.071 685 HG LEU 106 HG LEU 106 12.315 7.221 -2.002 686 HD11 LEU 106 HD11 LEU 106 13.667 8.799 -0.773 687 HD12 LEU 106 HD12 LEU 106 13.624 7.283 0.130 688 HD13 LEU 106 HD13 LEU 106 15.073 7.712 -0.802 689 HD21 LEU 106 HD21 LEU 106 13.628 8.718 -3.338 690 HD22 LEU 106 HD22 LEU 106 15.073 7.701 -3.194 691 HD23 LEU 106 HD23 LEU 106 13.674 7.128 -4.130 692 H VAL 107 H VAL 107 14.892 4.141 0.578 693 HA VAL 107 HA VAL 107 14.265 1.346 -0.172 694 HB VAL 107 HB VAL 107 16.182 2.033 2.102 695 HG11 VAL 107 HG11 VAL 107 15.301 -0.649 0.922 696 HG12 VAL 107 HG12 VAL 107 16.519 -0.422 2.195 697 HG13 VAL 107 HG13 VAL 107 14.832 -0.018 2.515 698 HG21 VAL 107 HG21 VAL 107 16.752 0.773 -0.615 699 HG22 VAL 107 HG22 VAL 107 17.344 2.346 -0.033 700 HG23 VAL 107 HG23 VAL 107 17.898 0.862 0.741 701 H THR 108 H THR 108 12.104 2.043 0.107 702 HA THR 108 HA THR 108 11.278 3.401 2.557 703 HB THR 108 HB THR 108 10.323 4.214 0.591 704 HG1 THR 108 HG1 THR 108 8.141 4.004 1.076 705 HG21 THR 108 HG21 THR 108 8.746 2.849 -0.821 706 HG22 THR 108 HG22 THR 108 10.436 2.377 -0.986 707 HG23 THR 108 HG23 THR 108 9.333 1.391 0.009 708 H LEU 109 H LEU 109 9.454 2.822 3.780 709 HA LEU 109 HA LEU 109 9.503 0.098 4.868 710 HB2 LEU 109 HB2 LEU 109 9.346 2.165 6.212 711 HB3 LEU 109 HB3 LEU 109 7.731 2.445 5.540 712 HG LEU 109 HG LEU 109 6.844 0.480 6.646 713 HD11 LEU 109 HD11 LEU 109 8.257 -0.907 8.187 714 HD12 LEU 109 HD12 LEU 109 8.677 -1.147 6.494 715 HD13 LEU 109 HD13 LEU 109 9.710 -0.125 7.524 716 HD21 LEU 109 HD21 LEU 109 7.260 1.109 8.978 717 HD22 LEU 109 HD22 LEU 109 8.739 1.972 8.482 718 HD23 LEU 109 HD23 LEU 109 7.142 2.555 7.953 719 H ALA 110 H ALA 110 7.785 1.759 2.368 720 HA ALA 110 HA ALA 110 5.211 0.663 2.504 721 HB1 ALA 110 HB1 ALA 110 5.868 2.582 1.100 722 HB2 ALA 110 HB2 ALA 110 6.841 1.509 0.068 723 HB3 ALA 110 HB3 ALA 110 5.073 1.332 0.121 724 H THR 111 H THR 111 4.225 -1.166 1.808 725 HA THR 111 HA THR 111 5.721 -3.314 0.404 726 HB THR 111 HB THR 111 6.156 -3.484 2.818 727 HG1 THR 111 HG1 THR 111 5.678 -5.687 2.872 728 HG21 THR 111 HG21 THR 111 3.189 -4.119 3.143 729 HG22 THR 111 HG22 THR 111 4.454 -4.259 4.381 730 HG23 THR 111 HG23 THR 111 4.013 -2.667 3.757 731 HD1 48M 200 HD1 48M 200 2.819 14.967 -13.308 732 HD2 48M 200 HD2 48M 200 3.241 13.205 -9.392 733 HD3 48M 200 HD3 48M 200 -0.182 10.927 -9.882 734 HD4 48M 200 HD4 48M 200 2.338 12.225 -13.105 735 HD5 48M 200 HD5 48M 200 -2.017 13.937 -14.332 736 HE1 48M 200 HE1 48M 200 5.146 14.333 -13.833 737 HE2 48M 200 HE2 48M 200 5.567 12.594 -9.931 738 HE3 48M 200 HE3 48M 200 0.813 8.667 -10.023 739 HE5 48M 200 HE5 48M 200 -2.882 14.864 -16.420 740 HE6 48M 200 HE6 48M 200 0.079 17.956 -16.311 741 HZ2 48M 200 HZ2 48M 200 2.648 8.215 -11.639 742 HM21 48M 200 HM21 48M 200 3.573 16.088 -15.262 743 HM22 48M 200 HM22 48M 200 2.358 16.419 -16.503 744 HM23 48M 200 HM23 48M 200 3.792 17.440 -16.385 745 HM31 48M 200 HM31 48M 200 4.002 19.056 -14.249 746 HM32 48M 200 HM32 48M 200 2.722 18.962 -13.037 747 HM33 48M 200 HM33 48M 200 3.808 17.587 -13.270 748 HN1 48M 200 HN1 48M 200 -3.013 20.074 -10.538 749 H21 48M 200 H21 48M 200 -2.429 17.607 -9.805 750 H22 48M 200 H22 48M 200 -3.562 17.835 -11.152 751 H31 48M 200 H31 48M 200 -1.737 16.186 -11.573 752 H32 48M 200 H32 48M 200 -1.818 17.482 -12.787 753 H41 48M 200 H41 48M 200 0.469 19.438 -12.372 754 H42 48M 200 H42 48M 200 0.854 19.281 -10.646 755 H7 48M 200 H7 48M 200 -0.310 13.134 -10.497 756 H8 48M 200 H8 48M 200 1.279 14.601 -9.946 757 H9 48M 200 H9 48M 200 1.855 18.654 -15.378 Start of MODEL 14 1 H1 GLN 23 H GLN 23 5.441 13.811 13.417 2 HA GLN 23 HA GLN 23 8.039 14.233 12.229 3 HB2 GLN 23 HB2 GLN 23 9.219 12.383 13.376 4 HB3 GLN 23 HB3 GLN 23 8.874 13.766 14.411 5 HG2 GLN 23 HG2 GLN 23 6.990 12.560 15.463 6 HG3 GLN 23 HG3 GLN 23 7.244 11.182 14.392 7 HE21 GLN 23 HE22 GLN 23 8.672 13.029 17.123 8 HE22 GLN 23 HE21 GLN 23 9.765 11.735 17.597 9 H ILE 24 H ILE 24 8.574 12.783 10.613 10 HA ILE 24 HA ILE 24 6.245 11.441 9.514 11 HB ILE 24 HB ILE 24 8.896 12.439 8.506 12 HG12 ILE 24 HG12 ILE 24 6.115 12.720 7.329 13 HG13 ILE 24 HG13 ILE 24 6.702 13.771 8.627 14 HG21 ILE 24 HG21 ILE 24 8.942 10.319 7.469 15 HG22 ILE 24 HG22 ILE 24 7.214 10.384 7.030 16 HG23 ILE 24 HG23 ILE 24 8.384 11.439 6.232 17 HD11 ILE 24 HD11 ILE 24 7.817 13.565 5.804 18 HD12 ILE 24 HD12 ILE 24 6.999 14.937 6.558 19 HD13 ILE 24 HD13 ILE 24 8.612 14.460 7.124 20 H ASN 25 H ASN 25 9.448 10.274 10.448 21 HA ASN 25 HA ASN 25 10.226 8.246 10.889 22 HB2 ASN 25 HB2 ASN 25 7.312 7.598 11.290 23 HB3 ASN 25 HB3 ASN 25 8.526 6.345 11.351 24 HD21 ASN 25 HD21 ASN 25 8.732 9.685 12.362 25 HD22 ASN 25 HD22 ASN 25 9.054 9.370 14.088 26 H GLN 26 H GLN 26 10.321 8.956 8.343 27 HA GLN 26 HA GLN 26 10.369 6.453 6.807 28 HB2 GLN 26 HB2 GLN 26 8.657 8.699 6.019 29 HB3 GLN 26 HB3 GLN 26 9.599 7.939 4.748 30 HG2 GLN 26 HG2 GLN 26 7.972 6.353 6.798 31 HG3 GLN 26 HG3 GLN 26 7.337 6.825 5.280 32 HE21 GLN 26 HE22 GLN 26 9.175 4.415 6.903 33 HE22 GLN 26 HE21 GLN 26 9.820 3.606 5.483 34 H VAL 27 H VAL 27 11.473 7.153 4.491 35 HA VAL 27 HA VAL 27 14.197 7.645 5.560 36 HB VAL 27 HB VAL 27 13.247 6.057 3.149 37 HG11 VAL 27 HG11 VAL 27 16.013 6.130 4.437 38 HG12 VAL 27 HG12 VAL 27 15.485 4.928 3.244 39 HG13 VAL 27 HG13 VAL 27 15.581 6.610 2.770 40 HG21 VAL 27 HG21 VAL 27 13.796 4.033 4.505 41 HG22 VAL 27 HG22 VAL 27 14.126 5.080 5.904 42 HG23 VAL 27 HG23 VAL 27 12.488 4.962 5.220 43 H ARG 28 H ARG 28 15.861 8.575 4.428 44 HA ARG 28 HA ARG 28 15.054 10.742 2.634 45 HB2 ARG 28 HB2 ARG 28 17.199 11.715 3.067 46 HB3 ARG 28 HB3 ARG 28 16.376 11.314 4.572 47 HG2 ARG 28 HG2 ARG 28 17.840 9.306 4.825 48 HG3 ARG 28 HG3 ARG 28 18.688 9.754 3.331 49 HD2 ARG 28 HD2 ARG 28 19.354 11.902 4.322 50 HD3 ARG 28 HD3 ARG 28 18.497 11.519 5.811 51 HE ARG 28 HE ARG 28 21.050 10.376 4.836 52 HH11 ARG 28 HH11 ARG 28 18.606 10.148 7.354 53 HH12 ARG 28 HH12 ARG 28 19.659 9.241 8.404 54 HH21 ARG 28 HH21 ARG 28 22.322 9.226 6.231 55 HH22 ARG 28 HH22 ARG 28 21.705 8.738 7.781 56 HA PRO 29 HA PRO 29 16.792 8.610 -0.994 57 HB2 PRO 29 HB2 PRO 29 16.648 10.657 -2.756 58 HB3 PRO 29 HB3 PRO 29 15.191 9.772 -2.196 59 HG2 PRO 29 HG2 PRO 29 16.254 12.432 -1.239 60 HG3 PRO 29 HG3 PRO 29 14.569 11.995 -1.662 61 HD2 PRO 29 HD2 PRO 29 15.522 12.006 0.910 62 HD3 PRO 29 HD3 PRO 29 14.257 10.861 0.361 63 H LYS 30 H LYS 30 18.674 8.938 -2.447 64 HA LYS 30 HA LYS 30 21.015 10.096 -1.173 65 HB2 LYS 30 HB2 LYS 30 20.511 8.186 -3.139 66 HB3 LYS 30 HB3 LYS 30 21.193 9.493 -4.078 67 HG2 LYS 30 HG2 LYS 30 22.502 8.202 -1.639 68 HG3 LYS 30 HG3 LYS 30 22.756 7.701 -3.311 69 HD2 LYS 30 HD2 LYS 30 23.529 10.114 -3.775 70 HD3 LYS 30 HD3 LYS 30 23.647 10.300 -2.014 71 HE2 LYS 30 HE2 LYS 30 25.056 8.186 -3.711 72 HE3 LYS 30 HE3 LYS 30 25.788 9.693 -3.169 73 HZ1 LYS 30 HZ1 LYS 30 25.485 8.945 -0.854 74 HZ2 LYS 30 HZ2 LYS 30 24.834 7.527 -1.356 75 HZ3 LYS 30 HZ3 LYS 30 26.387 7.878 -1.688 76 H LEU 31 H LEU 31 22.396 11.702 -2.213 77 HA LEU 31 HA LEU 31 21.327 14.171 -2.173 78 HB2 LEU 31 HB2 LEU 31 23.673 13.598 -1.859 79 HB3 LEU 31 HB3 LEU 31 23.859 13.233 -3.572 80 HG LEU 31 HG LEU 31 23.425 15.598 -4.126 81 HD11 LEU 31 HD11 LEU 31 23.357 15.985 -1.100 82 HD12 LEU 31 HD12 LEU 31 23.534 17.304 -2.272 83 HD13 LEU 31 HD13 LEU 31 22.046 16.349 -2.248 84 HD21 LEU 31 HD21 LEU 31 25.617 15.201 -2.050 85 HD22 LEU 31 HD22 LEU 31 25.729 14.791 -3.777 86 HD23 LEU 31 HD23 LEU 31 25.563 16.483 -3.282 87 HA PRO 32 HA PRO 32 21.046 14.833 -6.983 88 HB2 PRO 32 HB2 PRO 32 20.367 12.499 -8.415 89 HB3 PRO 32 HB3 PRO 32 21.982 13.288 -8.417 90 HG2 PRO 32 HG2 PRO 32 20.999 10.948 -6.771 91 HG3 PRO 32 HG3 PRO 32 22.599 11.165 -7.546 92 HD2 PRO 32 HD2 PRO 32 22.293 11.571 -4.932 93 HD3 PRO 32 HD3 PRO 32 23.294 12.701 -5.882 94 H LEU 33 H LEU 33 19.197 12.180 -5.693 95 HA LEU 33 HA LEU 33 16.744 13.079 -6.936 96 HB2 LEU 33 HB2 LEU 33 17.277 10.765 -6.487 97 HB3 LEU 33 HB3 LEU 33 17.500 11.121 -4.767 98 HG LEU 33 HG LEU 33 15.202 11.585 -4.458 99 HD11 LEU 33 HD11 LEU 33 14.657 10.980 -7.391 100 HD12 LEU 33 HD12 LEU 33 13.468 11.291 -6.120 101 HD13 LEU 33 HD13 LEU 33 14.543 12.585 -6.642 102 HD21 LEU 33 HD21 LEU 33 15.374 9.065 -6.131 103 HD22 LEU 33 HD22 LEU 33 16.039 9.197 -4.488 104 HD23 LEU 33 HD23 LEU 33 14.302 9.407 -4.747 105 H LEU 34 H LEU 34 18.131 13.392 -3.621 106 HA LEU 34 HA LEU 34 15.977 14.924 -2.547 107 HB2 LEU 34 HB2 LEU 34 17.963 13.876 -1.300 108 HB3 LEU 34 HB3 LEU 34 18.966 15.172 -1.929 109 HG LEU 34 HG LEU 34 17.554 16.845 -0.717 110 HD11 LEU 34 HD11 LEU 34 15.409 15.657 -0.543 111 HD12 LEU 34 HD12 LEU 34 16.175 14.367 0.423 112 HD13 LEU 34 HD13 LEU 34 16.023 16.009 1.071 113 HD21 LEU 34 HD21 LEU 34 19.595 15.911 0.310 114 HD22 LEU 34 HD22 LEU 34 18.364 16.269 1.531 115 HD23 LEU 34 HD23 LEU 34 18.640 14.588 1.019 116 H LYS 35 H LYS 35 18.858 16.024 -4.448 117 HA LYS 35 HA LYS 35 18.336 18.776 -4.301 118 HB2 LYS 35 HB2 LYS 35 20.331 17.276 -5.388 119 HB3 LYS 35 HB3 LYS 35 19.443 17.619 -6.860 120 HG2 LYS 35 HG2 LYS 35 21.005 19.395 -6.691 121 HG3 LYS 35 HG3 LYS 35 19.508 20.106 -6.090 122 HD2 LYS 35 HD2 LYS 35 20.938 20.759 -4.372 123 HD3 LYS 35 HD3 LYS 35 20.387 19.206 -3.732 124 HE2 LYS 35 HE2 LYS 35 22.705 19.214 -3.388 125 HE3 LYS 35 HE3 LYS 35 22.443 18.127 -4.754 126 HZ1 LYS 35 HZ1 LYS 35 24.308 19.672 -5.142 127 HZ2 LYS 35 HZ2 LYS 35 23.139 19.974 -6.237 128 HZ3 LYS 35 HZ3 LYS 35 23.343 20.969 -4.956 129 H ILE 36 H ILE 36 17.050 16.509 -6.749 130 HA ILE 36 HA ILE 36 15.522 18.319 -8.345 131 HB ILE 36 HB ILE 36 15.046 15.431 -7.598 132 HG12 ILE 36 HG12 ILE 36 16.007 16.582 -10.237 133 HG13 ILE 36 HG13 ILE 36 17.158 16.299 -8.949 134 HG21 ILE 36 HG21 ILE 36 13.694 17.149 -9.739 135 HG22 ILE 36 HG22 ILE 36 13.543 15.388 -9.589 136 HG23 ILE 36 HG23 ILE 36 12.898 16.427 -8.329 137 HD11 ILE 36 HD11 ILE 36 15.379 14.125 -10.099 138 HD12 ILE 36 HD12 ILE 36 17.099 14.396 -10.471 139 HD13 ILE 36 HD13 ILE 36 16.609 13.949 -8.837 140 H LEU 37 H LEU 37 14.567 16.458 -5.345 141 HA LEU 37 HA LEU 37 11.913 17.471 -5.121 142 HB2 LEU 37 HB2 LEU 37 13.931 16.153 -3.252 143 HB3 LEU 37 HB3 LEU 37 12.317 16.558 -2.711 144 HG LEU 37 HG LEU 37 11.315 14.955 -3.822 145 HD11 LEU 37 HD11 LEU 37 13.398 14.576 -5.949 146 HD12 LEU 37 HD12 LEU 37 11.903 13.653 -5.755 147 HD13 LEU 37 HD13 LEU 37 11.820 15.372 -6.133 148 HD21 LEU 37 HD21 LEU 37 14.050 13.735 -3.510 149 HD22 LEU 37 HD22 LEU 37 12.834 13.944 -2.230 150 HD23 LEU 37 HD23 LEU 37 12.524 12.842 -3.585 151 H HIS 38 H HIS 38 14.970 18.529 -3.593 152 HA HIS 38 HA HIS 38 13.775 20.657 -2.029 153 HB2 HIS 38 HB2 HIS 38 16.564 19.781 -2.775 154 HB3 HIS 38 HB3 HIS 38 16.306 21.348 -2.000 155 HD2 HIS 38 HD2 HIS 38 13.892 18.690 -0.845 156 HE1 HIS 38 HE1 HIS 38 16.693 19.209 2.323 157 HE2 HIS 38 HE2 HIS 38 14.430 18.206 1.694 158 H ALA 39 H ALA 39 15.328 20.635 -5.273 159 HA ALA 39 HA ALA 39 15.090 23.461 -5.692 160 HB1 ALA 39 HB1 ALA 39 16.586 22.101 -7.011 161 HB2 ALA 39 HB2 ALA 39 15.244 21.089 -7.571 162 HB3 ALA 39 HB3 ALA 39 15.358 22.792 -8.090 163 H ALA 40 H ALA 40 12.696 20.912 -5.697 164 HA ALA 40 HA ALA 40 10.675 22.597 -6.956 165 HB1 ALA 40 HB1 ALA 40 10.938 19.919 -6.763 166 HB2 ALA 40 HB2 ALA 40 9.935 20.184 -5.340 167 HB3 ALA 40 HB3 ALA 40 9.367 20.739 -6.931 168 H GLY 41 H GLY 41 11.847 22.039 -3.650 169 HA2 GLY 41 HA2 GLY 41 11.269 23.394 -1.790 170 HA3 GLY 41 HA3 GLY 41 9.727 23.820 -2.528 171 H ALA 42 H ALA 42 11.403 20.722 -1.726 172 HA ALA 42 HA ALA 42 9.081 19.331 -0.873 173 HB1 ALA 42 HB1 ALA 42 11.911 18.765 0.020 174 HB2 ALA 42 HB2 ALA 42 10.562 17.629 -0.125 175 HB3 ALA 42 HB3 ALA 42 11.264 18.312 -1.588 176 H GLN 43 H GLN 43 8.626 18.456 1.225 177 HA GLN 43 HA GLN 43 8.634 20.605 3.269 178 HB2 GLN 43 HB2 GLN 43 6.759 18.271 2.759 179 HB3 GLN 43 HB3 GLN 43 6.595 19.399 4.096 180 HG2 GLN 43 HG2 GLN 43 6.400 21.298 2.524 181 HG3 GLN 43 HG3 GLN 43 6.501 20.189 1.159 182 HE21 GLN 43 HE22 GLN 43 4.323 21.684 1.039 183 HE22 GLN 43 HE21 GLN 43 2.902 20.807 1.589 184 H GLY 44 H GLY 44 10.927 18.865 2.962 185 HA2 GLY 44 HA2 GLY 44 11.901 18.506 5.465 186 HA3 GLY 44 HA3 GLY 44 10.966 17.025 5.252 187 H GLU 45 H GLU 45 12.994 15.970 5.554 188 HA GLU 45 HA GLU 45 14.460 15.535 2.964 189 HB2 GLU 45 HB2 GLU 45 15.531 15.409 5.809 190 HB3 GLU 45 HB3 GLU 45 16.410 14.850 4.381 191 HG2 GLU 45 HG2 GLU 45 16.359 17.110 3.416 192 HG3 GLU 45 HG3 GLU 45 15.471 17.716 4.817 193 H MET 46 H MET 46 12.449 14.111 5.311 194 HA MET 46 HA MET 46 13.150 11.262 4.577 195 HB2 MET 46 HB2 MET 46 12.087 12.548 7.119 196 HB3 MET 46 HB3 MET 46 11.916 10.832 6.772 197 HG2 MET 46 HG2 MET 46 14.341 10.579 6.579 198 HG3 MET 46 HG3 MET 46 14.583 12.310 6.814 199 HE1 MET 46 HE1 MET 46 14.480 13.569 9.062 200 HE2 MET 46 HE2 MET 46 12.757 13.166 9.253 201 HE3 MET 46 HE3 MET 46 13.889 12.876 10.587 202 H PHE 47 H PHE 47 11.605 10.538 3.131 203 HA PHE 47 HA PHE 47 8.739 10.885 3.774 204 HB2 PHE 47 HB2 PHE 47 8.922 11.479 0.996 205 HB3 PHE 47 HB3 PHE 47 8.277 12.438 2.304 206 HD1 PHE 47 HD2 PHE 47 11.739 11.507 1.105 207 HD2 PHE 47 HD1 PHE 47 9.018 14.626 2.294 208 HE1 PHE 47 HE2 PHE 47 13.485 13.194 0.690 209 HE2 PHE 47 HE1 PHE 47 10.732 16.342 1.746 210 HZ PHE 47 HZ PHE 47 12.977 15.634 0.931 211 H THR 48 H THR 48 7.341 9.622 2.433 212 HA THR 48 HA THR 48 8.359 7.015 1.513 213 HB THR 48 HB THR 48 5.923 6.644 0.943 214 HG1 THR 48 HG1 THR 48 5.557 9.161 2.189 215 HG21 THR 48 HG21 THR 48 5.103 6.585 3.188 216 HG22 THR 48 HG22 THR 48 6.832 6.167 3.235 217 HG23 THR 48 HG23 THR 48 6.305 7.787 3.727 218 H VAL 49 H VAL 49 7.573 6.167 -0.637 219 HA VAL 49 HA VAL 49 8.531 7.443 -2.951 220 HB VAL 49 HB VAL 49 6.533 5.215 -2.525 221 HG11 VAL 49 HG11 VAL 49 7.685 6.203 -5.164 222 HG12 VAL 49 HG12 VAL 49 6.919 4.618 -4.926 223 HG13 VAL 49 HG13 VAL 49 5.971 6.090 -4.721 224 HG21 VAL 49 HG21 VAL 49 8.899 4.781 -1.861 225 HG22 VAL 49 HG22 VAL 49 8.415 3.807 -3.253 226 HG23 VAL 49 HG23 VAL 49 9.431 5.244 -3.491 227 H LYS 50 H LYS 50 5.203 7.242 -1.628 228 HA LYS 50 HA LYS 50 3.963 8.669 -3.752 229 HB2 LYS 50 HB2 LYS 50 2.020 8.297 -2.472 230 HB3 LYS 50 HB3 LYS 50 3.052 6.883 -2.275 231 HG2 LYS 50 HG2 LYS 50 3.769 7.690 -0.087 232 HG3 LYS 50 HG3 LYS 50 2.708 9.113 -0.225 233 HD2 LYS 50 HD2 LYS 50 0.759 7.528 -0.362 234 HD3 LYS 50 HD3 LYS 50 1.902 6.178 -0.116 235 HE2 LYS 50 HE2 LYS 50 2.625 7.184 2.038 236 HE3 LYS 50 HE3 LYS 50 1.493 8.520 1.802 237 HZ1 LYS 50 HZ1 LYS 50 0.704 5.663 2.096 238 HZ2 LYS 50 HZ2 LYS 50 0.541 6.809 3.245 239 HZ3 LYS 50 HZ3 LYS 50 -0.338 6.903 1.875 240 H GLU 51 H GLU 51 5.356 9.748 -0.680 241 HA GLU 51 HA GLU 51 4.507 12.530 -0.998 242 HB2 GLU 51 HB2 GLU 51 6.592 11.159 0.721 243 HB3 GLU 51 HB3 GLU 51 6.286 12.899 0.763 244 HG2 GLU 51 HG2 GLU 51 4.019 12.583 1.499 245 HG3 GLU 51 HG3 GLU 51 4.096 10.843 1.267 246 H VAL 52 H VAL 52 7.660 10.765 -1.620 247 HA VAL 52 HA VAL 52 9.014 13.075 -2.454 248 HB VAL 52 HB VAL 52 10.492 11.673 -3.745 249 HG11 VAL 52 HG11 VAL 52 11.610 10.668 -1.829 250 HG12 VAL 52 HG12 VAL 52 10.855 12.195 -1.340 251 HG13 VAL 52 HG13 VAL 52 10.088 10.636 -0.923 252 HG21 VAL 52 HG21 VAL 52 9.308 9.216 -2.656 253 HG22 VAL 52 HG22 VAL 52 9.035 9.744 -4.345 254 HG23 VAL 52 HG23 VAL 52 10.655 9.399 -3.786 255 H MET 53 H MET 53 7.309 10.745 -4.473 256 HA MET 53 HA MET 53 7.713 12.162 -6.882 257 HB2 MET 53 HB2 MET 53 6.241 10.755 -7.955 258 HB3 MET 53 HB3 MET 53 7.012 9.783 -6.709 259 HG2 MET 53 HG2 MET 53 4.964 10.148 -5.266 260 HG3 MET 53 HG3 MET 53 4.203 10.976 -6.623 261 HE1 MET 53 HE1 MET 53 3.712 9.853 -8.970 262 HE2 MET 53 HE2 MET 53 5.317 9.098 -9.123 263 HE3 MET 53 HE3 MET 53 3.867 8.114 -9.297 264 H HIS 54 H HIS 54 5.431 13.051 -4.362 265 HA HIS 54 HA HIS 54 3.751 14.734 -6.037 266 HB2 HIS 54 HB2 HIS 54 3.167 14.060 -3.706 267 HB3 HIS 54 HB3 HIS 54 4.484 15.071 -3.103 268 HD2 HIS 54 HD2 HIS 54 4.128 17.692 -3.005 269 HE1 HIS 54 HE1 HIS 54 0.139 17.824 -4.513 270 HE2 HIS 54 HE2 HIS 54 1.997 19.184 -3.423 271 H TYR 55 H TYR 55 6.883 15.257 -4.334 272 HA TYR 55 HA TYR 55 7.112 17.979 -5.234 273 HB2 TYR 55 HB2 TYR 55 9.479 16.257 -4.579 274 HB3 TYR 55 HB3 TYR 55 9.316 17.997 -4.424 275 HD1 TYR 55 HD1 TYR 55 7.256 18.731 -2.734 276 HD2 TYR 55 HD2 TYR 55 9.506 15.076 -2.637 277 HE1 TYR 55 HE1 TYR 55 6.442 18.282 -0.392 278 HE2 TYR 55 HE2 TYR 55 8.742 14.639 -0.331 279 HH TYR 55 HH TYR 55 6.359 16.738 1.332 280 H LEU 56 H LEU 56 7.817 14.892 -6.879 281 HA LEU 56 HA LEU 56 9.364 16.100 -9.043 282 HB2 LEU 56 HB2 LEU 56 7.545 13.664 -9.157 283 HB3 LEU 56 HB3 LEU 56 8.693 14.158 -10.382 284 HG LEU 56 HG LEU 56 9.485 13.292 -7.582 285 HD11 LEU 56 HD11 LEU 56 10.084 11.173 -8.608 286 HD12 LEU 56 HD12 LEU 56 8.377 11.494 -8.935 287 HD13 LEU 56 HD13 LEU 56 9.558 11.767 -10.216 288 HD21 LEU 56 HD21 LEU 56 11.733 13.041 -8.615 289 HD22 LEU 56 HD22 LEU 56 11.098 13.764 -10.114 290 HD23 LEU 56 HD23 LEU 56 11.173 14.720 -8.618 291 H GLY 57 H GLY 57 5.856 15.394 -8.594 292 HA2 GLY 57 HA2 GLY 57 4.943 16.433 -11.059 293 HA3 GLY 57 HA3 GLY 57 4.019 16.372 -9.547 294 H GLN 58 H GLN 58 5.220 18.169 -7.893 295 HA GLN 58 HA GLN 58 4.572 20.709 -9.048 296 HB2 GLN 58 HB2 GLN 58 4.779 21.603 -6.995 297 HB3 GLN 58 HB3 GLN 58 4.584 19.914 -6.550 298 HG2 GLN 58 HG2 GLN 58 7.178 19.836 -6.457 299 HG3 GLN 58 HG3 GLN 58 7.157 21.571 -6.635 300 HE21 GLN 58 HE22 GLN 58 7.771 22.278 -4.516 301 HE22 GLN 58 HE21 GLN 58 7.016 21.686 -3.050 302 H TYR 59 H TYR 59 7.747 19.049 -8.692 303 HA TYR 59 HA TYR 59 9.403 21.213 -9.380 304 HB2 TYR 59 HB2 TYR 59 10.269 19.054 -8.566 305 HB3 TYR 59 HB3 TYR 59 9.734 18.254 -10.008 306 HD1 TYR 59 HD2 TYR 59 10.857 18.613 -12.166 307 HD2 TYR 59 HD1 TYR 59 12.253 20.536 -8.569 308 HE1 TYR 59 HE2 TYR 59 13.135 18.805 -13.160 309 HE2 TYR 59 HE1 TYR 59 14.527 20.709 -9.563 310 HH TYR 59 HH TYR 59 15.350 19.328 -12.723 311 H ILE 60 H ILE 60 7.921 18.664 -11.486 312 HA ILE 60 HA ILE 60 8.832 19.722 -13.985 313 HB ILE 60 HB ILE 60 6.410 18.040 -13.254 314 HG12 ILE 60 HG12 ILE 60 8.917 16.986 -14.614 315 HG13 ILE 60 HG13 ILE 60 8.911 17.197 -12.867 316 HG21 ILE 60 HG21 ILE 60 7.562 18.750 -15.978 317 HG22 ILE 60 HG22 ILE 60 6.554 17.304 -15.708 318 HG23 ILE 60 HG23 ILE 60 5.889 18.903 -15.387 319 HD11 ILE 60 HD11 ILE 60 6.975 15.470 -14.444 320 HD12 ILE 60 HD12 ILE 60 8.221 14.959 -13.281 321 HD13 ILE 60 HD13 ILE 60 6.796 15.860 -12.723 322 H MET 61 H MET 61 5.808 20.308 -12.141 323 HA MET 61 HA MET 61 4.604 22.054 -14.017 324 HB2 MET 61 HB2 MET 61 3.538 20.870 -12.109 325 HB3 MET 61 HB3 MET 61 4.313 22.004 -10.997 326 HG2 MET 61 HG2 MET 61 2.037 22.713 -11.382 327 HG3 MET 61 HG3 MET 61 3.122 23.889 -12.110 328 HE1 MET 61 HE1 MET 61 1.361 24.453 -15.313 329 HE2 MET 61 HE2 MET 61 1.461 25.055 -13.644 330 HE3 MET 61 HE3 MET 61 2.948 24.674 -14.548 331 H VAL 62 H VAL 62 6.865 22.893 -11.310 332 HA VAL 62 HA VAL 62 6.781 25.735 -11.992 333 HB VAL 62 HB VAL 62 7.148 24.877 -9.695 334 HG11 VAL 62 HG11 VAL 62 9.366 24.287 -8.898 335 HG12 VAL 62 HG12 VAL 62 8.813 23.117 -10.081 336 HG13 VAL 62 HG13 VAL 62 10.024 24.327 -10.545 337 HG21 VAL 62 HG21 VAL 62 9.369 26.673 -10.712 338 HG22 VAL 62 HG22 VAL 62 7.706 27.205 -10.339 339 HG23 VAL 62 HG23 VAL 62 8.754 26.577 -9.046 340 H LYS 63 H LYS 63 9.102 23.136 -12.621 341 HA LYS 63 HA LYS 63 10.913 24.753 -14.204 342 HB2 LYS 63 HB2 LYS 63 10.502 21.746 -14.033 343 HB3 LYS 63 HB3 LYS 63 11.836 22.532 -14.880 344 HG2 LYS 63 HG2 LYS 63 11.347 22.681 -11.893 345 HG3 LYS 63 HG3 LYS 63 12.552 21.714 -12.744 346 HD2 LYS 63 HD2 LYS 63 13.494 23.967 -13.621 347 HD3 LYS 63 HD3 LYS 63 12.425 24.723 -12.427 348 HE2 LYS 63 HE2 LYS 63 14.330 24.515 -11.154 349 HE3 LYS 63 HE3 LYS 63 13.486 23.015 -10.736 350 HZ1 LYS 63 HZ1 LYS 63 14.941 21.850 -12.369 351 HZ2 LYS 63 HZ2 LYS 63 15.642 23.262 -12.809 352 HZ3 LYS 63 HZ3 LYS 63 15.877 22.668 -11.313 353 H GLN 64 H GLN 64 7.873 23.410 -15.045 354 HA GLN 64 HA GLN 64 6.759 22.806 -16.749 355 HB2 GLN 64 HB2 GLN 64 6.529 24.335 -18.659 356 HB3 GLN 64 HB3 GLN 64 6.264 25.041 -17.070 357 HG2 GLN 64 HG2 GLN 64 9.031 25.150 -18.054 358 HG3 GLN 64 HG3 GLN 64 7.903 26.103 -19.020 359 HE21 GLN 64 HE22 GLN 64 10.017 26.364 -16.430 360 HE22 GLN 64 HE21 GLN 64 9.193 27.611 -15.514 361 H LEU 65 H LEU 65 8.127 20.944 -16.617 362 HA LEU 65 HA LEU 65 9.829 20.543 -18.991 363 HB2 LEU 65 HB2 LEU 65 9.639 18.799 -16.496 364 HB3 LEU 65 HB3 LEU 65 10.635 18.475 -17.888 365 HG LEU 65 HG LEU 65 10.963 20.731 -15.918 366 HD11 LEU 65 HD11 LEU 65 13.018 19.643 -15.324 367 HD12 LEU 65 HD12 LEU 65 11.664 18.512 -15.145 368 HD13 LEU 65 HD13 LEU 65 12.755 18.380 -16.539 369 HD21 LEU 65 HD21 LEU 65 11.655 21.594 -18.107 370 HD22 LEU 65 HD22 LEU 65 13.084 21.254 -17.128 371 HD23 LEU 65 HD23 LEU 65 12.604 20.120 -18.412 372 H TYR 66 H TYR 66 7.087 20.842 -19.417 373 HA TYR 66 HA TYR 66 6.423 18.105 -20.284 374 HB2 TYR 66 HB2 TYR 66 4.010 18.529 -19.907 375 HB3 TYR 66 HB3 TYR 66 4.981 18.370 -18.455 376 HD1 TYR 66 HD1 TYR 66 2.954 20.704 -20.508 377 HD2 TYR 66 HD2 TYR 66 5.427 20.229 -17.034 378 HE1 TYR 66 HE1 TYR 66 2.383 23.018 -19.812 379 HE2 TYR 66 HE2 TYR 66 4.660 22.496 -16.193 380 HH TYR 66 HH TYR 66 2.570 24.624 -18.172 381 H ASP 67 H ASP 67 4.861 17.959 -22.102 382 HA ASP 67 HA ASP 67 5.664 19.777 -24.240 383 HB2 ASP 67 HB2 ASP 67 5.171 17.237 -24.376 384 HB3 ASP 67 HB3 ASP 67 3.472 17.711 -24.378 385 H GLN 68 H GLN 68 4.614 21.577 -24.905 386 HA GLN 68 HA GLN 68 2.332 22.809 -23.995 387 HB2 GLN 68 HB2 GLN 68 2.072 23.571 -26.362 388 HB3 GLN 68 HB3 GLN 68 3.467 24.137 -25.400 389 HG2 GLN 68 HG2 GLN 68 3.475 21.835 -27.256 390 HG3 GLN 68 HG3 GLN 68 3.690 23.473 -27.880 391 HE21 GLN 68 HE22 GLN 68 5.265 20.710 -26.767 392 HE22 GLN 68 HE21 GLN 68 6.874 21.432 -26.526 393 H GLN 69 H GLN 69 2.520 20.427 -26.520 394 HA GLN 69 HA GLN 69 -0.270 20.451 -27.227 395 HB2 GLN 69 HB2 GLN 69 2.026 18.652 -28.041 396 HB3 GLN 69 HB3 GLN 69 0.437 18.602 -28.779 397 HG2 GLN 69 HG2 GLN 69 0.696 20.547 -29.950 398 HG3 GLN 69 HG3 GLN 69 1.668 21.331 -28.721 399 HE21 GLN 69 HE22 GLN 69 3.917 19.888 -28.363 400 HE22 GLN 69 HE21 GLN 69 4.771 19.777 -29.901 401 H GLU 70 H GLU 70 1.545 18.710 -24.899 402 HA GLU 70 HA GLU 70 -0.712 16.970 -24.131 403 HB2 GLU 70 HB2 GLU 70 1.945 15.830 -25.097 404 HB3 GLU 70 HB3 GLU 70 0.900 14.990 -23.950 405 HG2 GLU 70 HG2 GLU 70 -0.991 15.255 -25.667 406 HG3 GLU 70 HG3 GLU 70 0.271 15.696 -26.825 407 H GLN 71 H GLN 71 -0.750 18.334 -22.319 408 HA GLN 71 HA GLN 71 1.498 19.165 -20.841 409 HB2 GLN 71 HB2 GLN 71 -1.373 18.724 -20.039 410 HB3 GLN 71 HB3 GLN 71 -0.241 19.722 -19.106 411 HG2 GLN 71 HG2 GLN 71 -1.244 20.301 -21.950 412 HG3 GLN 71 HG3 GLN 71 -1.820 21.010 -20.451 413 HE21 GLN 71 HE22 GLN 71 1.265 20.845 -22.401 414 HE22 GLN 71 HE21 GLN 71 1.665 22.484 -21.917 415 H HIS 72 H HIS 72 -0.333 16.170 -20.484 416 HA HIS 72 HA HIS 72 0.890 15.311 -18.009 417 HB2 HIS 72 HB2 HIS 72 -0.381 13.192 -18.696 418 HB3 HIS 72 HB3 HIS 72 -1.356 14.651 -18.566 419 HD2 HIS 72 HD2 HIS 72 0.236 12.311 -21.171 420 HE1 HIS 72 HE1 HIS 72 -2.257 15.029 -23.338 421 HE2 HIS 72 HE2 HIS 72 -0.734 12.980 -23.564 422 H MET 73 H MET 73 2.097 15.436 -21.226 423 HA MET 73 HA MET 73 3.913 13.108 -20.911 424 HB2 MET 73 HB2 MET 73 2.795 13.412 -23.091 425 HB3 MET 73 HB3 MET 73 3.496 15.030 -23.231 426 HG2 MET 73 HG2 MET 73 4.765 13.500 -24.568 427 HG3 MET 73 HG3 MET 73 5.756 14.089 -23.237 428 HE1 MET 73 HE1 MET 73 7.323 10.626 -23.678 429 HE2 MET 73 HE2 MET 73 6.669 11.615 -25.005 430 HE3 MET 73 HE3 MET 73 7.520 12.396 -23.654 431 H VAL 74 H VAL 74 5.968 13.363 -20.240 432 HA VAL 74 HA VAL 74 6.813 16.110 -19.417 433 HB VAL 74 HB VAL 74 7.680 13.422 -18.279 434 HG11 VAL 74 HG11 VAL 74 8.461 14.777 -16.388 435 HG12 VAL 74 HG12 VAL 74 9.221 15.338 -17.877 436 HG13 VAL 74 HG13 VAL 74 7.881 16.246 -17.164 437 HG21 VAL 74 HG21 VAL 74 5.279 13.667 -17.826 438 HG22 VAL 74 HG22 VAL 74 6.189 13.989 -16.354 439 HG23 VAL 74 HG23 VAL 74 5.522 15.346 -17.291 440 H TYR 75 H TYR 75 8.762 16.867 -20.027 441 HA TYR 75 HA TYR 75 10.705 15.260 -21.624 442 HB2 TYR 75 HB2 TYR 75 9.406 17.901 -22.291 443 HB3 TYR 75 HB3 TYR 75 11.007 17.484 -22.899 444 HD1 TYR 75 HD1 TYR 75 11.352 15.208 -24.008 445 HD2 TYR 75 HD2 TYR 75 7.479 17.036 -23.487 446 HE1 TYR 75 HE1 TYR 75 10.416 13.707 -25.738 447 HE2 TYR 75 HE2 TYR 75 6.553 15.566 -25.277 448 HH TYR 75 HH TYR 75 6.990 13.906 -26.816 449 H CYS 76 H CYS 76 12.173 15.041 -20.016 450 HA CYS 76 HA CYS 76 13.218 17.359 -18.484 451 HB2 CYS 76 HB2 CYS 76 13.522 14.360 -18.043 452 HB3 CYS 76 HB3 CYS 76 14.208 15.630 -17.016 453 HG CYS 76 HG CYS 76 11.028 15.111 -17.721 454 H GLY 77 H GLY 77 14.019 16.493 -21.407 455 HA2 GLY 77 HA2 GLY 77 16.656 15.522 -21.399 456 HA3 GLY 77 HA3 GLY 77 15.988 16.582 -22.641 457 H GLY 78 H GLY 78 18.493 16.284 -20.567 458 HA2 GLY 78 HA2 GLY 78 20.239 17.731 -20.091 459 HA3 GLY 78 HA3 GLY 78 19.294 19.098 -20.672 460 H ASP 79 H ASP 79 17.372 17.502 -18.382 461 HA ASP 79 HA ASP 79 18.087 19.453 -16.263 462 HB2 ASP 79 HB2 ASP 79 15.710 19.118 -17.124 463 HB3 ASP 79 HB3 ASP 79 15.735 17.539 -16.347 464 H LEU 80 H LEU 80 18.162 18.741 -13.969 465 HA LEU 80 HA LEU 80 19.863 16.516 -13.397 466 HB2 LEU 80 HB2 LEU 80 18.916 18.710 -12.008 467 HB3 LEU 80 HB3 LEU 80 17.942 17.419 -11.299 468 HG LEU 80 HG LEU 80 20.996 17.489 -11.446 469 HD11 LEU 80 HD11 LEU 80 20.854 17.921 -9.013 470 HD12 LEU 80 HD12 LEU 80 20.080 19.204 -9.954 471 HD13 LEU 80 HD13 LEU 80 19.077 17.988 -9.136 472 HD21 LEU 80 HD21 LEU 80 20.931 15.653 -9.785 473 HD22 LEU 80 HD22 LEU 80 19.166 15.567 -9.936 474 HD23 LEU 80 HD23 LEU 80 20.212 15.158 -11.314 475 H LEU 81 H LEU 81 16.272 16.928 -13.111 476 HA LEU 81 HA LEU 81 15.730 14.313 -12.271 477 HB2 LEU 81 HB2 LEU 81 14.104 16.118 -12.217 478 HB3 LEU 81 HB3 LEU 81 14.095 16.233 -13.971 479 HG LEU 81 HG LEU 81 12.964 14.118 -14.208 480 HD11 LEU 81 HD11 LEU 81 13.171 13.818 -11.185 481 HD12 LEU 81 HD12 LEU 81 12.160 12.814 -12.248 482 HD13 LEU 81 HD13 LEU 81 13.911 12.764 -12.400 483 HD21 LEU 81 HD21 LEU 81 10.843 14.647 -13.096 484 HD22 LEU 81 HD22 LEU 81 11.679 15.746 -11.973 485 HD23 LEU 81 HD23 LEU 81 11.604 16.123 -13.708 486 H GLY 82 H GLY 82 16.254 15.475 -15.602 487 HA2 GLY 82 HA2 GLY 82 15.656 13.002 -16.976 488 HA3 GLY 82 HA3 GLY 82 16.632 14.346 -17.580 489 H GLU 83 H GLU 83 18.694 14.372 -15.605 490 HA GLU 83 HA GLU 83 20.401 12.283 -16.557 491 HB2 GLU 83 HB2 GLU 83 21.923 13.710 -15.906 492 HB3 GLU 83 HB3 GLU 83 20.686 14.743 -15.209 493 HG2 GLU 83 HG2 GLU 83 20.943 13.684 -13.035 494 HG3 GLU 83 HG3 GLU 83 22.100 12.522 -13.695 495 H LEU 84 H LEU 84 18.614 12.641 -13.457 496 HA LEU 84 HA LEU 84 19.536 10.174 -12.360 497 HB2 LEU 84 HB2 LEU 84 18.563 12.029 -11.053 498 HB3 LEU 84 HB3 LEU 84 17.010 11.800 -11.863 499 HG LEU 84 HG LEU 84 16.814 9.527 -10.860 500 HD11 LEU 84 HD11 LEU 84 18.338 8.924 -8.975 501 HD12 LEU 84 HD12 LEU 84 19.182 8.935 -10.527 502 HD13 LEU 84 HD13 LEU 84 19.387 10.297 -9.405 503 HD21 LEU 84 HD21 LEU 84 15.871 11.513 -9.771 504 HD22 LEU 84 HD22 LEU 84 16.393 10.281 -8.601 505 HD23 LEU 84 HD23 LEU 84 17.395 11.736 -8.872 506 H LEU 85 H LEU 85 16.678 10.961 -14.326 507 HA LEU 85 HA LEU 85 15.533 8.317 -14.395 508 HB2 LEU 85 HB2 LEU 85 15.316 10.832 -16.088 509 HB3 LEU 85 HB3 LEU 85 14.551 9.374 -16.638 510 HG LEU 85 HG LEU 85 14.003 10.416 -13.877 511 HD11 LEU 85 HD11 LEU 85 12.004 11.476 -14.797 512 HD12 LEU 85 HD12 LEU 85 13.461 12.179 -15.516 513 HD13 LEU 85 HD13 LEU 85 12.504 11.014 -16.449 514 HD21 LEU 85 HD21 LEU 85 13.305 8.071 -14.327 515 HD22 LEU 85 HD22 LEU 85 11.907 9.137 -14.146 516 HD23 LEU 85 HD23 LEU 85 12.412 8.619 -15.766 517 H GLY 86 H GLY 86 18.129 9.818 -16.296 518 HA2 GLY 86 HA2 GLY 86 19.702 8.851 -17.705 519 HA3 GLY 86 HA3 GLY 86 18.975 7.256 -17.466 520 H ARG 87 H ARG 87 16.826 9.781 -18.318 521 HA ARG 87 HA ARG 87 16.710 9.375 -21.220 522 HB2 ARG 87 HB2 ARG 87 14.399 8.489 -21.193 523 HB3 ARG 87 HB3 ARG 87 15.579 7.360 -20.520 524 HG2 ARG 87 HG2 ARG 87 14.934 8.076 -18.241 525 HG3 ARG 87 HG3 ARG 87 13.657 9.100 -18.915 526 HD2 ARG 87 HD2 ARG 87 13.911 6.076 -19.097 527 HD3 ARG 87 HD3 ARG 87 12.848 7.000 -18.017 528 HE ARG 87 HE ARG 87 11.836 7.968 -20.176 529 HH11 ARG 87 HH11 ARG 87 12.938 4.626 -20.114 530 HH12 ARG 87 HH12 ARG 87 11.871 4.188 -21.419 531 HH21 ARG 87 HH21 ARG 87 10.607 7.384 -21.785 532 HH22 ARG 87 HH22 ARG 87 10.549 5.729 -22.354 533 H GLN 88 H GLN 88 15.610 10.879 -22.243 534 HA GLN 88 HA GLN 88 15.146 13.415 -20.870 535 HB2 GLN 88 HB2 GLN 88 14.790 14.271 -23.081 536 HB3 GLN 88 HB3 GLN 88 16.197 13.197 -23.092 537 HG2 GLN 88 HG2 GLN 88 14.770 11.408 -24.128 538 HG3 GLN 88 HG3 GLN 88 13.412 12.539 -24.156 539 HE21 GLN 88 HE22 GLN 88 13.681 14.565 -25.515 540 HE22 GLN 88 HE21 GLN 88 14.750 14.457 -26.905 541 H SER 89 H SER 89 13.036 10.790 -21.533 542 HA SER 89 HA SER 89 10.744 12.491 -20.699 543 HB2 SER 89 HB2 SER 89 9.414 11.979 -22.731 544 HB3 SER 89 HB3 SER 89 10.878 12.893 -23.112 545 HG SER 89 HG SER 89 10.546 11.101 -24.558 546 H PHE 90 H PHE 90 8.812 11.635 -20.287 547 HA PHE 90 HA PHE 90 8.088 8.852 -20.379 548 HB2 PHE 90 HB2 PHE 90 7.905 8.446 -17.994 549 HB3 PHE 90 HB3 PHE 90 9.576 8.779 -18.390 550 HD1 PHE 90 HD2 PHE 90 10.560 11.054 -17.876 551 HD2 PHE 90 HD1 PHE 90 6.689 9.836 -16.418 552 HE1 PHE 90 HE2 PHE 90 10.634 12.858 -16.215 553 HE2 PHE 90 HE1 PHE 90 6.750 11.643 -14.732 554 HZ PHE 90 HZ PHE 90 8.739 13.147 -14.567 555 H SER 91 H SER 91 5.846 8.767 -18.944 556 HA SER 91 HA SER 91 4.416 11.390 -19.273 557 HB2 SER 91 HB2 SER 91 3.946 10.050 -21.244 558 HB3 SER 91 HB3 SER 91 3.479 8.672 -20.236 559 HG SER 91 HG SER 91 1.729 10.085 -21.052 560 H VAL 92 H VAL 92 2.698 11.750 -17.975 561 HA VAL 92 HA VAL 92 2.422 10.665 -15.328 562 HB VAL 92 HB VAL 92 0.721 12.168 -17.275 563 HG11 VAL 92 HG11 VAL 92 -0.194 11.760 -14.439 564 HG12 VAL 92 HG12 VAL 92 -0.907 12.813 -15.698 565 HG13 VAL 92 HG13 VAL 92 -0.950 11.076 -15.908 566 HG21 VAL 92 HG21 VAL 92 1.102 14.111 -15.883 567 HG22 VAL 92 HG22 VAL 92 1.961 13.125 -14.682 568 HG23 VAL 92 HG23 VAL 92 2.651 13.371 -16.298 569 H LYS 93 H LYS 93 1.212 9.678 -18.472 570 HA LYS 93 HA LYS 93 -0.638 7.612 -17.409 571 HB2 LYS 93 HB2 LYS 93 -0.108 8.589 -20.244 572 HB3 LYS 93 HB3 LYS 93 -1.378 7.462 -19.759 573 HG2 LYS 93 HG2 LYS 93 -2.469 9.185 -18.397 574 HG3 LYS 93 HG3 LYS 93 -1.174 10.341 -18.750 575 HD2 LYS 93 HD2 LYS 93 -1.725 10.255 -21.160 576 HD3 LYS 93 HD3 LYS 93 -3.071 9.147 -20.810 577 HE2 LYS 93 HE2 LYS 93 -4.150 10.833 -19.392 578 HE3 LYS 93 HE3 LYS 93 -2.765 11.918 -19.555 579 HZ1 LYS 93 HZ1 LYS 93 -3.259 12.106 -21.935 580 HZ2 LYS 93 HZ2 LYS 93 -4.539 11.091 -21.798 581 HZ3 LYS 93 HZ3 LYS 93 -4.564 12.548 -21.063 582 H ASP 94 H ASP 94 2.598 7.708 -18.121 583 HA ASP 94 HA ASP 94 2.814 4.787 -18.177 584 HB2 ASP 94 HB2 ASP 94 2.778 5.346 -20.579 585 HB3 ASP 94 HB3 ASP 94 4.100 6.490 -20.349 586 HA PRO 95 HA PRO 95 5.646 7.391 -15.595 587 HB2 PRO 95 HB2 PRO 95 4.779 6.903 -13.121 588 HB3 PRO 95 HB3 PRO 95 3.728 7.731 -14.310 589 HG2 PRO 95 HG2 PRO 95 3.704 4.759 -13.671 590 HG3 PRO 95 HG3 PRO 95 2.332 5.917 -13.572 591 HD2 PRO 95 HD2 PRO 95 2.833 4.439 -15.827 592 HD3 PRO 95 HD3 PRO 95 2.191 6.107 -15.894 593 H SER 96 H SER 96 5.657 4.045 -15.993 594 HA SER 96 HA SER 96 6.834 2.822 -13.931 595 HB2 SER 96 HB2 SER 96 7.606 2.385 -16.835 596 HB3 SER 96 HB3 SER 96 7.803 1.219 -15.509 597 HG SER 96 HG SER 96 5.849 0.881 -16.707 598 HA PRO 97 HA PRO 97 11.390 3.654 -14.981 599 HB2 PRO 97 HB2 PRO 97 12.213 5.976 -16.172 600 HB3 PRO 97 HB3 PRO 97 11.798 4.484 -17.070 601 HG2 PRO 97 HG2 PRO 97 10.008 6.877 -16.521 602 HG3 PRO 97 HG3 PRO 97 10.308 6.061 -18.092 603 HD2 PRO 97 HD2 PRO 97 8.143 5.475 -16.657 604 HD3 PRO 97 HD3 PRO 97 9.050 4.156 -17.445 605 H LEU 98 H LEU 98 9.274 6.299 -13.865 606 HA LEU 98 HA LEU 98 11.286 7.606 -12.276 607 HB2 LEU 98 HB2 LEU 98 9.619 9.013 -11.649 608 HB3 LEU 98 HB3 LEU 98 8.906 8.351 -13.091 609 HG LEU 98 HG LEU 98 7.645 6.727 -11.490 610 HD11 LEU 98 HD11 LEU 98 7.153 7.639 -9.275 611 HD12 LEU 98 HD12 LEU 98 8.888 7.372 -9.366 612 HD13 LEU 98 HD13 LEU 98 8.252 9.011 -9.549 613 HD21 LEU 98 HD21 LEU 98 6.632 8.552 -12.817 614 HD22 LEU 98 HD22 LEU 98 5.856 8.354 -11.245 615 HD23 LEU 98 HD23 LEU 98 6.996 9.697 -11.511 616 H TYR 99 H TYR 99 8.896 5.027 -11.482 617 HA TYR 99 HA TYR 99 9.714 4.760 -8.785 618 HB2 TYR 99 HB2 TYR 99 8.546 2.684 -10.698 619 HB3 TYR 99 HB3 TYR 99 8.633 2.516 -8.956 620 HD1 TYR 99 HD2 TYR 99 6.934 4.263 -11.745 621 HD2 TYR 99 HD1 TYR 99 7.138 3.782 -7.458 622 HE1 TYR 99 HE2 TYR 99 4.742 5.377 -11.510 623 HE2 TYR 99 HE1 TYR 99 4.891 4.822 -7.239 624 HH TYR 99 HH TYR 99 3.058 5.666 -8.353 625 H ASP 100 H ASP 100 11.137 3.504 -11.756 626 HA ASP 100 HA ASP 100 12.934 1.599 -10.485 627 HB2 ASP 100 HB2 ASP 100 12.047 1.651 -12.872 628 HB3 ASP 100 HB3 ASP 100 13.275 2.864 -13.183 629 H MET 101 H MET 101 13.182 4.947 -11.616 630 HA MET 101 HA MET 101 15.923 5.350 -10.816 631 HB2 MET 101 HB2 MET 101 15.690 7.430 -11.590 632 HB3 MET 101 HB3 MET 101 14.127 6.893 -12.188 633 HG2 MET 101 HG2 MET 101 13.211 7.631 -9.901 634 HG3 MET 101 HG3 MET 101 14.741 8.449 -9.650 635 HE1 MET 101 HE1 MET 101 12.476 10.195 -9.138 636 HE2 MET 101 HE2 MET 101 11.476 10.754 -10.499 637 HE3 MET 101 HE3 MET 101 11.396 9.052 -9.971 638 H LEU 102 H LEU 102 12.927 5.224 -8.937 639 HA LEU 102 HA LEU 102 14.196 6.283 -6.503 640 HB2 LEU 102 HB2 LEU 102 11.508 4.897 -6.878 641 HB3 LEU 102 HB3 LEU 102 12.102 5.602 -5.388 642 HG LEU 102 HG LEU 102 11.429 7.122 -7.930 643 HD11 LEU 102 HD11 LEU 102 9.590 8.048 -6.622 644 HD12 LEU 102 HD12 LEU 102 9.480 6.284 -6.698 645 HD13 LEU 102 HD13 LEU 102 10.072 7.073 -5.215 646 HD21 LEU 102 HD21 LEU 102 11.701 9.169 -6.555 647 HD22 LEU 102 HD22 LEU 102 12.417 8.172 -5.267 648 HD23 LEU 102 HD23 LEU 102 13.217 8.317 -6.856 649 H ARG 103 H ARG 103 13.251 3.055 -7.815 650 HA ARG 103 HA ARG 103 13.592 1.438 -5.730 651 HB2 ARG 103 HB2 ARG 103 14.509 1.049 -8.593 652 HB3 ARG 103 HB3 ARG 103 14.772 -0.235 -7.418 653 HG2 ARG 103 HG2 ARG 103 12.300 -0.277 -6.960 654 HG3 ARG 103 HG3 ARG 103 12.087 0.849 -8.313 655 HD2 ARG 103 HD2 ARG 103 13.257 -0.749 -9.811 656 HD3 ARG 103 HD3 ARG 103 13.339 -1.907 -8.483 657 HE ARG 103 HE ARG 103 10.827 -1.823 -8.411 658 HH11 ARG 103 HH11 ARG 103 12.377 -1.103 -11.534 659 HH12 ARG 103 HH12 ARG 103 10.971 -1.668 -12.394 660 HH21 ARG 103 HH21 ARG 103 9.116 -2.462 -9.627 661 HH22 ARG 103 HH22 ARG 103 9.188 -2.384 -11.361 662 H LYS 104 H LYS 104 16.362 2.674 -7.483 663 HA LYS 104 HA LYS 104 18.303 1.485 -5.593 664 HB2 LYS 104 HB2 LYS 104 19.891 2.145 -7.534 665 HB3 LYS 104 HB3 LYS 104 18.912 0.701 -7.605 666 HG2 LYS 104 HG2 LYS 104 19.035 1.891 -9.754 667 HG3 LYS 104 HG3 LYS 104 17.400 1.663 -9.179 668 HD2 LYS 104 HD2 LYS 104 17.657 3.870 -10.182 669 HD3 LYS 104 HD3 LYS 104 17.238 3.990 -8.486 670 HE2 LYS 104 HE2 LYS 104 18.857 5.681 -8.990 671 HE3 LYS 104 HE3 LYS 104 19.596 4.506 -7.907 672 HZ1 LYS 104 HZ1 LYS 104 20.734 3.522 -9.867 673 HZ2 LYS 104 HZ2 LYS 104 20.009 4.584 -10.875 674 HZ3 LYS 104 HZ3 LYS 104 21.091 5.106 -9.776 675 H ASN 105 H ASN 105 16.852 4.450 -5.848 676 HA ASN 105 HA ASN 105 19.254 5.948 -4.760 677 HB2 ASN 105 HB2 ASN 105 17.887 6.633 -6.971 678 HB3 ASN 105 HB3 ASN 105 16.881 7.407 -5.732 679 HD21 ASN 105 HD22 ASN 105 20.263 7.038 -6.921 680 HD22 ASN 105 HD21 ASN 105 20.840 8.468 -6.109 681 H LEU 106 H LEU 106 15.930 5.032 -4.290 682 HA LEU 106 HA LEU 106 15.926 6.033 -1.474 683 HB2 LEU 106 HB2 LEU 106 14.704 7.573 -2.857 684 HB3 LEU 106 HB3 LEU 106 13.903 6.265 -3.728 685 HG LEU 106 HG LEU 106 12.627 5.656 -1.747 686 HD11 LEU 106 HD11 LEU 106 14.168 6.495 0.072 687 HD12 LEU 106 HD12 LEU 106 13.880 8.159 -0.478 688 HD13 LEU 106 HD13 LEU 106 12.562 7.198 0.220 689 HD21 LEU 106 HD21 LEU 106 11.194 7.677 -1.655 690 HD22 LEU 106 HD22 LEU 106 12.462 8.571 -2.531 691 HD23 LEU 106 HD23 LEU 106 11.635 7.183 -3.294 692 H VAL 107 H VAL 107 15.429 4.608 -0.018 693 HA VAL 107 HA VAL 107 14.084 2.037 -0.741 694 HB VAL 107 HB VAL 107 15.904 2.642 1.620 695 HG11 VAL 107 HG11 VAL 107 15.850 0.177 1.990 696 HG12 VAL 107 HG12 VAL 107 14.280 0.922 2.261 697 HG13 VAL 107 HG13 VAL 107 14.588 0.027 0.750 698 HG21 VAL 107 HG21 VAL 107 16.360 0.955 -0.884 699 HG22 VAL 107 HG22 VAL 107 17.183 2.478 -0.482 700 HG23 VAL 107 HG23 VAL 107 17.459 1.047 0.510 701 H THR 108 H THR 108 12.313 1.328 0.548 702 HA THR 108 HA THR 108 11.210 3.227 2.558 703 HB THR 108 HB THR 108 10.192 3.803 0.439 704 HG1 THR 108 HG1 THR 108 8.957 4.111 2.248 705 HG21 THR 108 HG21 THR 108 9.018 0.990 0.431 706 HG22 THR 108 HG22 THR 108 8.535 2.326 -0.631 707 HG23 THR 108 HG23 THR 108 10.167 1.652 -0.754 708 H LEU 109 H LEU 109 8.917 1.939 3.223 709 HA LEU 109 HA LEU 109 9.949 0.029 5.093 710 HB2 LEU 109 HB2 LEU 109 8.074 1.597 5.435 711 HB3 LEU 109 HB3 LEU 109 7.074 0.591 4.375 712 HG LEU 109 HG LEU 109 7.163 -1.271 5.939 713 HD11 LEU 109 HD11 LEU 109 9.070 0.443 7.605 714 HD12 LEU 109 HD12 LEU 109 8.256 -1.026 8.186 715 HD13 LEU 109 HD13 LEU 109 9.426 -1.143 6.878 716 HD21 LEU 109 HD21 LEU 109 6.752 1.361 7.389 717 HD22 LEU 109 HD22 LEU 109 5.560 0.570 6.328 718 HD23 LEU 109 HD23 LEU 109 6.045 -0.210 7.850 719 H ALA 110 H ALA 110 8.286 -0.406 1.995 720 HA ALA 110 HA ALA 110 7.649 -3.180 2.309 721 HB1 ALA 110 HB1 ALA 110 7.155 -3.067 -0.111 722 HB2 ALA 110 HB2 ALA 110 6.461 -1.683 0.755 723 HB3 ALA 110 HB3 ALA 110 7.947 -1.478 -0.204 724 H THR 111 H THR 111 8.675 -5.031 1.660 725 HA THR 111 HA THR 111 11.375 -4.941 0.428 726 HB THR 111 HB THR 111 11.598 -4.712 2.873 727 HG1 THR 111 HG1 THR 111 13.203 -6.291 2.977 728 HG21 THR 111 HG21 THR 111 10.546 -7.569 3.061 729 HG22 THR 111 HG22 THR 111 11.251 -6.599 4.370 730 HG23 THR 111 HG23 THR 111 9.708 -6.117 3.656 731 HD1 48M 200 HD1 48M 200 2.764 15.054 -12.867 732 HD2 48M 200 HD2 48M 200 3.140 13.201 -8.991 733 HD3 48M 200 HD3 48M 200 -0.411 11.115 -9.442 734 HD4 48M 200 HD4 48M 200 2.194 12.317 -12.625 735 HD5 48M 200 HD5 48M 200 -2.007 14.201 -13.947 736 HE1 48M 200 HE1 48M 200 5.008 14.227 -13.472 737 HE2 48M 200 HE2 48M 200 5.381 12.383 -9.616 738 HE3 48M 200 HE3 48M 200 0.514 8.819 -9.568 739 HE5 48M 200 HE5 48M 200 -2.900 15.271 -15.951 740 HE6 48M 200 HE6 48M 200 0.113 18.303 -15.710 741 HZ2 48M 200 HZ2 48M 200 2.355 8.307 -11.162 742 HM21 48M 200 HM21 48M 200 3.455 19.640 -14.782 743 HM22 48M 200 HM22 48M 200 2.058 19.250 -15.776 744 HM23 48M 200 HM23 48M 200 1.836 19.726 -14.079 745 HM31 48M 200 HM31 48M 200 2.220 16.733 -16.240 746 HM32 48M 200 HM32 48M 200 3.922 17.079 -15.923 747 HM33 48M 200 HM33 48M 200 3.129 15.737 -15.093 748 HN1 48M 200 HN1 48M 200 -2.685 20.391 -12.406 749 H21 48M 200 H21 48M 200 -3.429 18.164 -11.966 750 H22 48M 200 H22 48M 200 -2.129 17.932 -13.147 751 H31 48M 200 H31 48M 200 -1.959 17.681 -10.118 752 H32 48M 200 H32 48M 200 -1.773 16.390 -11.286 753 H41 48M 200 H41 48M 200 1.065 19.473 -11.492 754 H42 48M 200 H42 48M 200 0.267 19.452 -9.901 755 H7 48M 200 H7 48M 200 -0.440 13.347 -10.068 756 H8 48M 200 H8 48M 200 1.245 14.726 -9.488 757 H9 48M 200 H9 48M 200 3.390 17.670 -13.563 Start of MODEL 15 1 H1 GLN 23 H GLN 23 4.450 13.068 13.069 2 HA GLN 23 HA GLN 23 6.766 13.166 12.578 3 HB2 GLN 23 HB2 GLN 23 6.338 10.615 14.201 4 HB3 GLN 23 HB3 GLN 23 7.855 11.520 14.117 5 HG2 GLN 23 HG2 GLN 23 6.741 13.500 15.121 6 HG3 GLN 23 HG3 GLN 23 5.231 12.591 15.246 7 HE21 GLN 23 HE22 GLN 23 8.621 12.714 16.459 8 HE22 GLN 23 HE21 GLN 23 8.267 11.780 17.907 9 H ILE 24 H ILE 24 5.291 11.618 10.564 10 HA ILE 24 HA ILE 24 5.428 10.323 8.768 11 HB ILE 24 HB ILE 24 8.123 11.660 8.792 12 HG12 ILE 24 HG12 ILE 24 5.604 12.209 7.161 13 HG13 ILE 24 HG13 ILE 24 6.055 13.059 8.641 14 HG21 ILE 24 HG21 ILE 24 8.310 11.095 6.343 15 HG22 ILE 24 HG22 ILE 24 8.424 9.692 7.380 16 HG23 ILE 24 HG23 ILE 24 6.908 10.021 6.518 17 HD11 ILE 24 HD11 ILE 24 7.522 13.151 5.982 18 HD12 ILE 24 HD12 ILE 24 6.680 14.460 6.818 19 HD13 ILE 24 HD13 ILE 24 8.185 13.808 7.500 20 H ASN 25 H ASN 25 8.531 9.563 10.288 21 HA ASN 25 HA ASN 25 9.593 7.659 10.685 22 HB2 ASN 25 HB2 ASN 25 6.840 6.444 10.551 23 HB3 ASN 25 HB3 ASN 25 8.291 5.514 10.852 24 HD21 ASN 25 HD22 ASN 25 7.706 8.791 11.947 25 HD22 ASN 25 HD21 ASN 25 7.656 8.412 13.682 26 H GLN 26 H GLN 26 10.090 8.534 8.281 27 HA GLN 26 HA GLN 26 10.402 6.189 6.542 28 HB2 GLN 26 HB2 GLN 26 8.324 7.754 5.964 29 HB3 GLN 26 HB3 GLN 26 9.582 8.562 5.023 30 HG2 GLN 26 HG2 GLN 26 8.581 6.811 3.674 31 HG3 GLN 26 HG3 GLN 26 10.188 6.281 4.041 32 HE21 GLN 26 HE22 GLN 26 10.333 4.105 4.726 33 HE22 GLN 26 HE21 GLN 26 8.996 3.260 5.480 34 H VAL 27 H VAL 27 11.684 7.207 4.391 35 HA VAL 27 HA VAL 27 14.312 7.841 5.636 36 HB VAL 27 HB VAL 27 13.519 6.135 3.236 37 HG11 VAL 27 HG11 VAL 27 16.321 6.535 4.372 38 HG12 VAL 27 HG12 VAL 27 15.854 5.255 3.239 39 HG13 VAL 27 HG13 VAL 27 15.753 6.923 2.720 40 HG21 VAL 27 HG21 VAL 27 14.328 4.232 4.611 41 HG22 VAL 27 HG22 VAL 27 14.659 5.345 5.956 42 HG23 VAL 27 HG23 VAL 27 12.996 5.058 5.404 43 H ARG 28 H ARG 28 15.971 8.802 4.528 44 HA ARG 28 HA ARG 28 15.169 11.044 2.828 45 HB2 ARG 28 HB2 ARG 28 16.496 11.466 4.815 46 HB3 ARG 28 HB3 ARG 28 17.776 10.393 4.248 47 HG2 ARG 28 HG2 ARG 28 18.354 11.914 2.449 48 HG3 ARG 28 HG3 ARG 28 16.903 12.877 2.718 49 HD2 ARG 28 HD2 ARG 28 18.689 14.111 3.632 50 HD3 ARG 28 HD3 ARG 28 17.788 13.454 5.010 51 HE ARG 28 HE ARG 28 19.871 11.633 4.440 52 HH11 ARG 28 HH11 ARG 28 19.617 14.987 5.514 53 HH12 ARG 28 HH12 ARG 28 21.099 14.877 6.434 54 HH21 ARG 28 HH21 ARG 28 21.754 11.594 5.643 55 HH22 ARG 28 HH22 ARG 28 22.274 13.017 6.494 56 HA PRO 29 HA PRO 29 16.671 9.045 -0.956 57 HB2 PRO 29 HB2 PRO 29 16.787 11.848 -1.996 58 HB3 PRO 29 HB3 PRO 29 15.912 10.434 -2.653 59 HG2 PRO 29 HG2 PRO 29 14.652 12.522 -1.387 60 HG3 PRO 29 HG3 PRO 29 14.058 10.840 -1.273 61 HD2 PRO 29 HD2 PRO 29 15.658 12.410 0.728 62 HD3 PRO 29 HD3 PRO 29 14.327 11.235 0.972 63 H LYS 30 H LYS 30 18.586 9.317 -2.469 64 HA LYS 30 HA LYS 30 21.024 10.158 -1.129 65 HB2 LYS 30 HB2 LYS 30 20.527 8.517 -3.294 66 HB3 LYS 30 HB3 LYS 30 21.083 9.971 -4.116 67 HG2 LYS 30 HG2 LYS 30 23.022 9.822 -2.246 68 HG3 LYS 30 HG3 LYS 30 22.500 8.126 -2.199 69 HD2 LYS 30 HD2 LYS 30 22.992 7.910 -4.614 70 HD3 LYS 30 HD3 LYS 30 23.446 9.624 -4.692 71 HE2 LYS 30 HE2 LYS 30 25.254 9.218 -3.035 72 HE3 LYS 30 HE3 LYS 30 24.801 7.512 -2.948 73 HZ1 LYS 30 HZ1 LYS 30 25.810 8.883 -5.396 74 HZ2 LYS 30 HZ2 LYS 30 26.670 7.860 -4.464 75 HZ3 LYS 30 HZ3 LYS 30 25.398 7.301 -5.312 76 H LEU 31 H LEU 31 22.467 11.868 -1.927 77 HA LEU 31 HA LEU 31 21.294 14.392 -1.746 78 HB2 LEU 31 HB2 LEU 31 23.986 13.665 -2.962 79 HB3 LEU 31 HB3 LEU 31 23.493 15.299 -2.530 80 HG LEU 31 HG LEU 31 23.817 12.979 -0.578 81 HD11 LEU 31 HD11 LEU 31 25.945 13.822 -1.504 82 HD12 LEU 31 HD12 LEU 31 25.502 15.477 -1.028 83 HD13 LEU 31 HD13 LEU 31 25.775 14.230 0.210 84 HD21 LEU 31 HD21 LEU 31 23.165 15.917 -0.077 85 HD22 LEU 31 HD22 LEU 31 22.123 14.520 0.288 86 HD23 LEU 31 HD23 LEU 31 23.629 14.745 1.176 87 HA PRO 32 HA PRO 32 21.311 15.253 -6.458 88 HB2 PRO 32 HB2 PRO 32 21.131 13.101 -8.202 89 HB3 PRO 32 HB3 PRO 32 22.645 13.952 -7.764 90 HG2 PRO 32 HG2 PRO 32 21.521 11.402 -6.565 91 HG3 PRO 32 HG3 PRO 32 23.197 11.726 -7.113 92 HD2 PRO 32 HD2 PRO 32 22.576 11.904 -4.522 93 HD3 PRO 32 HD3 PRO 32 23.622 13.146 -5.259 94 H LEU 33 H LEU 33 19.546 12.412 -5.189 95 HA LEU 33 HA LEU 33 17.102 12.954 -6.700 96 HB2 LEU 33 HB2 LEU 33 17.716 11.223 -4.251 97 HB3 LEU 33 HB3 LEU 33 16.073 11.561 -4.781 98 HG LEU 33 HG LEU 33 16.698 10.598 -7.034 99 HD11 LEU 33 HD11 LEU 33 18.568 8.953 -7.005 100 HD12 LEU 33 HD12 LEU 33 19.155 10.606 -6.849 101 HD13 LEU 33 HD13 LEU 33 19.069 9.559 -5.412 102 HD21 LEU 33 HD21 LEU 33 16.771 8.806 -4.572 103 HD22 LEU 33 HD22 LEU 33 15.316 9.440 -5.366 104 HD23 LEU 33 HD23 LEU 33 16.353 8.301 -6.235 105 H LEU 34 H LEU 34 18.215 13.636 -3.361 106 HA LEU 34 HA LEU 34 15.891 15.072 -2.551 107 HB2 LEU 34 HB2 LEU 34 17.681 14.079 -1.087 108 HB3 LEU 34 HB3 LEU 34 18.790 15.339 -1.619 109 HG LEU 34 HG LEU 34 17.325 17.067 -0.568 110 HD11 LEU 34 HD11 LEU 34 15.709 14.644 0.356 111 HD12 LEU 34 HD12 LEU 34 15.564 16.270 1.041 112 HD13 LEU 34 HD13 LEU 34 15.126 15.998 -0.646 113 HD21 LEU 34 HD21 LEU 34 17.848 16.459 1.758 114 HD22 LEU 34 HD22 LEU 34 18.100 14.766 1.275 115 HD23 LEU 34 HD23 LEU 34 19.190 16.040 0.686 116 H LYS 35 H LYS 35 18.859 16.259 -4.218 117 HA LYS 35 HA LYS 35 18.314 18.989 -4.153 118 HB2 LYS 35 HB2 LYS 35 20.275 17.437 -5.275 119 HB3 LYS 35 HB3 LYS 35 19.382 17.842 -6.727 120 HG2 LYS 35 HG2 LYS 35 20.998 19.563 -6.535 121 HG3 LYS 35 HG3 LYS 35 19.519 20.300 -5.925 122 HD2 LYS 35 HD2 LYS 35 21.070 20.914 -4.265 123 HD3 LYS 35 HD3 LYS 35 20.329 19.473 -3.568 124 HE2 LYS 35 HE2 LYS 35 22.628 19.225 -3.167 125 HE3 LYS 35 HE3 LYS 35 22.265 18.107 -4.480 126 HZ1 LYS 35 HZ1 LYS 35 23.495 20.809 -4.805 127 HZ2 LYS 35 HZ2 LYS 35 24.302 19.399 -4.897 128 HZ3 LYS 35 HZ3 LYS 35 23.201 19.775 -6.038 129 H ILE 36 H ILE 36 16.984 16.707 -6.562 130 HA ILE 36 HA ILE 36 15.518 18.542 -8.203 131 HB ILE 36 HB ILE 36 15.014 15.653 -7.484 132 HG12 ILE 36 HG12 ILE 36 16.071 16.792 -10.086 133 HG13 ILE 36 HG13 ILE 36 17.186 16.537 -8.757 134 HG21 ILE 36 HG21 ILE 36 12.902 16.655 -8.297 135 HG22 ILE 36 HG22 ILE 36 13.755 17.387 -9.668 136 HG23 ILE 36 HG23 ILE 36 13.598 15.625 -9.538 137 HD11 ILE 36 HD11 ILE 36 16.666 14.192 -8.625 138 HD12 ILE 36 HD12 ILE 36 15.466 14.338 -9.928 139 HD13 ILE 36 HD13 ILE 36 17.192 14.626 -10.260 140 H LEU 37 H LEU 37 14.526 16.675 -5.236 141 HA LEU 37 HA LEU 37 11.845 17.619 -5.050 142 HB2 LEU 37 HB2 LEU 37 13.866 16.343 -3.155 143 HB3 LEU 37 HB3 LEU 37 12.247 16.737 -2.627 144 HG LEU 37 HG LEU 37 11.247 15.135 -3.826 145 HD11 LEU 37 HD11 LEU 37 12.014 15.490 -6.102 146 HD12 LEU 37 HD12 LEU 37 13.539 14.655 -5.719 147 HD13 LEU 37 HD13 LEU 37 12.002 13.783 -5.665 148 HD21 LEU 37 HD21 LEU 37 12.704 14.182 -2.086 149 HD22 LEU 37 HD22 LEU 37 12.430 13.035 -3.412 150 HD23 LEU 37 HD23 LEU 37 13.966 13.910 -3.318 151 H HIS 38 H HIS 38 14.846 18.720 -3.440 152 HA HIS 38 HA HIS 38 13.589 20.853 -1.934 153 HB2 HIS 38 HB2 HIS 38 16.406 19.988 -2.579 154 HB3 HIS 38 HB3 HIS 38 16.114 21.563 -1.836 155 HD2 HIS 38 HD2 HIS 38 13.692 18.890 -0.701 156 HE1 HIS 38 HE1 HIS 38 16.422 19.464 2.519 157 HE2 HIS 38 HE2 HIS 38 14.188 18.429 1.851 158 H ALA 39 H ALA 39 15.192 20.805 -5.151 159 HA ALA 39 HA ALA 39 14.977 23.616 -5.622 160 HB1 ALA 39 HB1 ALA 39 15.228 22.916 -8.005 161 HB2 ALA 39 HB2 ALA 39 16.446 22.210 -6.926 162 HB3 ALA 39 HB3 ALA 39 15.079 21.221 -7.475 163 H ALA 40 H ALA 40 12.549 21.103 -5.597 164 HA ALA 40 HA ALA 40 10.562 22.844 -6.838 165 HB1 ALA 40 HB1 ALA 40 9.237 21.011 -6.935 166 HB2 ALA 40 HB2 ALA 40 10.790 20.162 -6.767 167 HB3 ALA 40 HB3 ALA 40 9.757 20.375 -5.354 168 H GLY 41 H GLY 41 11.724 22.218 -3.562 169 HA2 GLY 41 HA2 GLY 41 11.110 23.419 -1.623 170 HA3 GLY 41 HA3 GLY 41 9.588 23.907 -2.360 171 H ALA 42 H ALA 42 11.340 21.021 -1.170 172 HA ALA 42 HA ALA 42 8.918 19.486 -0.639 173 HB1 ALA 42 HB1 ALA 42 11.726 18.901 0.308 174 HB2 ALA 42 HB2 ALA 42 10.379 17.771 0.087 175 HB3 ALA 42 HB3 ALA 42 11.128 18.501 -1.332 176 H GLN 43 H GLN 43 8.477 18.558 1.526 177 HA GLN 43 HA GLN 43 8.464 20.721 3.538 178 HB2 GLN 43 HB2 GLN 43 6.364 19.705 2.498 179 HB3 GLN 43 HB3 GLN 43 6.694 18.264 3.455 180 HG2 GLN 43 HG2 GLN 43 5.005 19.760 4.461 181 HG3 GLN 43 HG3 GLN 43 6.370 19.540 5.532 182 HE21 GLN 43 HE22 GLN 43 7.482 21.424 6.240 183 HE22 GLN 43 HE21 GLN 43 7.099 23.028 5.627 184 H GLY 44 H GLY 44 10.787 18.988 3.199 185 HA2 GLY 44 HA2 GLY 44 11.815 18.599 5.714 186 HA3 GLY 44 HA3 GLY 44 10.862 17.139 5.470 187 H GLU 45 H GLU 45 12.901 16.092 5.760 188 HA GLU 45 HA GLU 45 14.335 15.693 3.147 189 HB2 GLU 45 HB2 GLU 45 15.388 15.524 5.992 190 HB3 GLU 45 HB3 GLU 45 16.226 14.875 4.580 191 HG2 GLU 45 HG2 GLU 45 16.353 17.105 3.569 192 HG3 GLU 45 HG3 GLU 45 15.491 17.795 4.948 193 H MET 46 H MET 46 12.321 14.182 5.490 194 HA MET 46 HA MET 46 13.106 11.392 4.627 195 HB2 MET 46 HB2 MET 46 12.120 12.499 7.274 196 HB3 MET 46 HB3 MET 46 11.918 10.820 6.821 197 HG2 MET 46 HG2 MET 46 13.876 10.927 8.134 198 HG3 MET 46 HG3 MET 46 14.354 10.582 6.482 199 HE1 MET 46 HE1 MET 46 13.483 14.125 8.204 200 HE2 MET 46 HE2 MET 46 14.332 13.155 9.430 201 HE3 MET 46 HE3 MET 46 15.117 14.583 8.723 202 H PHE 47 H PHE 47 11.600 10.646 3.183 203 HA PHE 47 HA PHE 47 8.707 10.933 3.795 204 HB2 PHE 47 HB2 PHE 47 9.040 11.454 0.992 205 HB3 PHE 47 HB3 PHE 47 8.249 12.397 2.237 206 HD1 PHE 47 HD1 PHE 47 11.799 11.634 1.205 207 HD2 PHE 47 HD2 PHE 47 8.887 14.617 2.331 208 HE1 PHE 47 HE1 PHE 47 13.464 13.417 0.854 209 HE2 PHE 47 HE2 PHE 47 10.545 16.411 1.889 210 HZ PHE 47 HZ PHE 47 12.841 15.819 1.123 211 H THR 48 H THR 48 7.279 9.693 2.346 212 HA THR 48 HA THR 48 8.354 7.042 1.562 213 HB THR 48 HB THR 48 5.994 6.545 0.987 214 HG1 THR 48 HG1 THR 48 4.511 8.310 1.703 215 HG21 THR 48 HG21 THR 48 4.944 6.823 3.229 216 HG22 THR 48 HG22 THR 48 6.544 6.085 3.272 217 HG23 THR 48 HG23 THR 48 6.367 7.775 3.753 218 H VAL 49 H VAL 49 7.718 6.116 -0.550 219 HA VAL 49 HA VAL 49 8.699 7.305 -2.855 220 HB VAL 49 HB VAL 49 8.290 4.960 -2.503 221 HG11 VAL 49 HG11 VAL 49 5.391 5.400 -3.252 222 HG12 VAL 49 HG12 VAL 49 6.220 3.861 -2.988 223 HG13 VAL 49 HG13 VAL 49 5.989 4.954 -1.624 224 HG21 VAL 49 HG21 VAL 49 7.074 6.047 -5.071 225 HG22 VAL 49 HG22 VAL 49 8.805 5.805 -4.736 226 HG23 VAL 49 HG23 VAL 49 7.725 4.413 -4.828 227 H LYS 50 H LYS 50 5.437 7.262 -1.586 228 HA LYS 50 HA LYS 50 4.014 8.598 -3.604 229 HB2 LYS 50 HB2 LYS 50 3.518 8.559 -0.589 230 HB3 LYS 50 HB3 LYS 50 2.309 8.707 -1.860 231 HG2 LYS 50 HG2 LYS 50 2.766 6.321 -2.505 232 HG3 LYS 50 HG3 LYS 50 3.928 6.234 -1.165 233 HD2 LYS 50 HD2 LYS 50 1.942 7.044 0.337 234 HD3 LYS 50 HD3 LYS 50 0.923 6.529 -1.022 235 HE2 LYS 50 HE2 LYS 50 2.078 4.265 -0.901 236 HE3 LYS 50 HE3 LYS 50 2.947 4.843 0.535 237 HZ1 LYS 50 HZ1 LYS 50 0.779 5.129 1.639 238 HZ2 LYS 50 HZ2 LYS 50 -0.017 4.596 0.314 239 HZ3 LYS 50 HZ3 LYS 50 0.952 3.584 1.147 240 H GLU 51 H GLU 51 5.541 9.831 -0.626 241 HA GLU 51 HA GLU 51 4.759 12.601 -1.091 242 HB2 GLU 51 HB2 GLU 51 6.760 11.264 0.742 243 HB3 GLU 51 HB3 GLU 51 6.455 13.011 0.737 244 HG2 GLU 51 HG2 GLU 51 4.114 12.648 1.321 245 HG3 GLU 51 HG3 GLU 51 4.315 10.901 1.260 246 H VAL 52 H VAL 52 7.848 10.752 -1.636 247 HA VAL 52 HA VAL 52 9.291 12.997 -2.585 248 HB VAL 52 HB VAL 52 10.730 11.459 -3.765 249 HG11 VAL 52 HG11 VAL 52 11.062 12.065 -1.356 250 HG12 VAL 52 HG12 VAL 52 10.199 10.572 -0.903 251 HG13 VAL 52 HG13 VAL 52 11.741 10.480 -1.768 252 HG21 VAL 52 HG21 VAL 52 9.132 9.231 -2.710 253 HG22 VAL 52 HG22 VAL 52 9.397 9.598 -4.432 254 HG23 VAL 52 HG23 VAL 52 10.744 9.071 -3.416 255 H MET 53 H MET 53 7.525 10.586 -4.495 256 HA MET 53 HA MET 53 7.897 11.939 -6.960 257 HB2 MET 53 HB2 MET 53 6.349 10.548 -7.961 258 HB3 MET 53 HB3 MET 53 7.112 9.579 -6.702 259 HG2 MET 53 HG2 MET 53 5.125 10.040 -5.237 260 HG3 MET 53 HG3 MET 53 4.355 10.882 -6.579 261 HE1 MET 53 HE1 MET 53 5.175 8.927 -9.129 262 HE2 MET 53 HE2 MET 53 3.669 7.995 -9.144 263 HE3 MET 53 HE3 MET 53 3.622 9.747 -8.839 264 H HIS 54 H HIS 54 5.588 12.825 -4.415 265 HA HIS 54 HA HIS 54 3.837 14.399 -6.079 266 HB2 HIS 54 HB2 HIS 54 3.302 13.710 -3.757 267 HB3 HIS 54 HB3 HIS 54 4.566 14.781 -3.149 268 HD2 HIS 54 HD2 HIS 54 4.016 17.332 -2.881 269 HE1 HIS 54 HE1 HIS 54 0.091 17.332 -4.557 270 HE2 HIS 54 HE2 HIS 54 1.821 18.727 -3.311 271 H TYR 55 H TYR 55 6.907 15.208 -4.408 272 HA TYR 55 HA TYR 55 6.937 17.949 -5.246 273 HB2 TYR 55 HB2 TYR 55 9.330 16.198 -4.660 274 HB3 TYR 55 HB3 TYR 55 9.271 17.958 -4.611 275 HD1 TYR 55 HD1 TYR 55 7.163 18.848 -3.032 276 HD2 TYR 55 HD2 TYR 55 9.377 15.184 -2.567 277 HE1 TYR 55 HE1 TYR 55 6.310 18.628 -0.705 278 HE2 TYR 55 HE2 TYR 55 8.618 15.018 -0.217 279 HH TYR 55 HH TYR 55 6.253 17.319 1.191 280 H LEU 56 H LEU 56 7.763 14.997 -7.041 281 HA LEU 56 HA LEU 56 9.228 16.352 -9.148 282 HB2 LEU 56 HB2 LEU 56 7.536 13.839 -9.392 283 HB3 LEU 56 HB3 LEU 56 8.760 14.406 -10.517 284 HG LEU 56 HG LEU 56 9.288 13.491 -7.664 285 HD11 LEU 56 HD11 LEU 56 9.946 12.200 -10.324 286 HD12 LEU 56 HD12 LEU 56 10.294 11.549 -8.693 287 HD13 LEU 56 HD13 LEU 56 8.617 11.693 -9.256 288 HD21 LEU 56 HD21 LEU 56 11.169 14.373 -9.878 289 HD22 LEU 56 HD22 LEU 56 10.955 15.135 -8.289 290 HD23 LEU 56 HD23 LEU 56 11.687 13.528 -8.398 291 H GLY 57 H GLY 57 5.726 15.609 -8.714 292 HA2 GLY 57 HA2 GLY 57 4.838 16.615 -11.215 293 HA3 GLY 57 HA3 GLY 57 3.893 16.576 -9.716 294 H GLN 58 H GLN 58 5.099 18.362 -8.058 295 HA GLN 58 HA GLN 58 4.441 20.900 -9.222 296 HB2 GLN 58 HB2 GLN 58 4.656 21.819 -7.166 297 HB3 GLN 58 HB3 GLN 58 4.388 20.137 -6.729 298 HG2 GLN 58 HG2 GLN 58 6.973 19.963 -6.581 299 HG3 GLN 58 HG3 GLN 58 7.019 21.701 -6.751 300 HE21 GLN 58 HE22 GLN 58 7.632 22.362 -4.608 301 HE22 GLN 58 HE21 GLN 58 6.883 21.737 -3.159 302 H TYR 59 H TYR 59 7.605 19.251 -8.791 303 HA TYR 59 HA TYR 59 9.272 21.412 -9.471 304 HB2 TYR 59 HB2 TYR 59 10.106 19.276 -8.573 305 HB3 TYR 59 HB3 TYR 59 9.619 18.442 -10.016 306 HD1 TYR 59 HD1 TYR 59 10.771 18.795 -12.163 307 HD2 TYR 59 HD2 TYR 59 12.160 20.693 -8.540 308 HE1 TYR 59 HE1 TYR 59 13.049 18.994 -13.147 309 HE2 TYR 59 HE2 TYR 59 14.432 20.870 -9.530 310 HH TYR 59 HH TYR 59 15.257 19.508 -12.703 311 H ILE 60 H ILE 60 7.841 18.822 -11.576 312 HA ILE 60 HA ILE 60 8.833 19.828 -14.067 313 HB ILE 60 HB ILE 60 6.368 18.179 -13.405 314 HG12 ILE 60 HG12 ILE 60 8.896 17.056 -14.659 315 HG13 ILE 60 HG13 ILE 60 8.842 17.298 -12.918 316 HG21 ILE 60 HG21 ILE 60 5.954 19.036 -15.564 317 HG22 ILE 60 HG22 ILE 60 7.642 18.841 -16.094 318 HG23 ILE 60 HG23 ILE 60 6.591 17.426 -15.852 319 HD11 ILE 60 HD11 ILE 60 8.110 15.062 -13.325 320 HD12 ILE 60 HD12 ILE 60 6.689 15.999 -12.821 321 HD13 ILE 60 HD13 ILE 60 6.910 15.592 -14.528 322 H MET 61 H MET 61 5.761 20.461 -12.317 323 HA MET 61 HA MET 61 4.593 22.161 -14.252 324 HB2 MET 61 HB2 MET 61 3.571 21.044 -12.252 325 HB3 MET 61 HB3 MET 61 4.259 22.311 -11.235 326 HG2 MET 61 HG2 MET 61 2.331 22.738 -13.558 327 HG3 MET 61 HG3 MET 61 1.860 22.621 -11.871 328 HE1 MET 61 HE1 MET 61 3.065 24.827 -14.721 329 HE2 MET 61 HE2 MET 61 1.374 25.018 -14.206 330 HE3 MET 61 HE3 MET 61 2.509 26.378 -14.052 331 H VAL 62 H VAL 62 6.672 23.123 -11.424 332 HA VAL 62 HA VAL 62 6.719 25.899 -12.218 333 HB VAL 62 HB VAL 62 7.040 25.068 -9.902 334 HG11 VAL 62 HG11 VAL 62 8.692 23.289 -10.244 335 HG12 VAL 62 HG12 VAL 62 9.925 24.483 -10.692 336 HG13 VAL 62 HG13 VAL 62 9.234 24.462 -9.058 337 HG21 VAL 62 HG21 VAL 62 7.637 27.382 -10.562 338 HG22 VAL 62 HG22 VAL 62 8.655 26.755 -9.244 339 HG23 VAL 62 HG23 VAL 62 9.299 26.825 -10.901 340 H LYS 63 H LYS 63 9.034 23.268 -12.772 341 HA LYS 63 HA LYS 63 10.863 24.882 -14.352 342 HB2 LYS 63 HB2 LYS 63 10.504 21.877 -14.132 343 HB3 LYS 63 HB3 LYS 63 11.839 22.673 -14.968 344 HG2 LYS 63 HG2 LYS 63 11.279 22.860 -11.995 345 HG3 LYS 63 HG3 LYS 63 12.512 21.890 -12.799 346 HD2 LYS 63 HD2 LYS 63 13.474 24.124 -13.681 347 HD3 LYS 63 HD3 LYS 63 12.353 24.905 -12.550 348 HE2 LYS 63 HE2 LYS 63 14.217 24.741 -11.206 349 HE3 LYS 63 HE3 LYS 63 13.350 23.260 -10.767 350 HZ1 LYS 63 HZ1 LYS 63 15.760 22.887 -11.238 351 HZ2 LYS 63 HZ2 LYS 63 14.861 22.029 -12.294 352 HZ3 LYS 63 HZ3 LYS 63 15.583 23.422 -12.764 353 H GLN 64 H GLN 64 7.845 23.505 -15.211 354 HA GLN 64 HA GLN 64 6.755 22.858 -16.922 355 HB2 GLN 64 HB2 GLN 64 6.538 24.372 -18.849 356 HB3 GLN 64 HB3 GLN 64 6.239 25.081 -17.268 357 HG2 GLN 64 HG2 GLN 64 9.019 25.224 -18.221 358 HG3 GLN 64 HG3 GLN 64 7.886 26.165 -19.193 359 HE21 GLN 64 HE22 GLN 64 9.999 26.475 -16.629 360 HE22 GLN 64 HE21 GLN 64 9.156 27.704 -15.703 361 H LEU 65 H LEU 65 8.179 21.010 -16.761 362 HA LEU 65 HA LEU 65 9.891 20.633 -19.135 363 HB2 LEU 65 HB2 LEU 65 9.729 18.855 -16.668 364 HB3 LEU 65 HB3 LEU 65 10.774 18.621 -18.046 365 HG LEU 65 HG LEU 65 10.947 20.837 -16.008 366 HD11 LEU 65 HD11 LEU 65 13.030 19.824 -15.388 367 HD12 LEU 65 HD12 LEU 65 11.734 18.624 -15.280 368 HD13 LEU 65 HD13 LEU 65 12.872 18.594 -16.657 369 HD21 LEU 65 HD21 LEU 65 13.066 21.485 -17.160 370 HD22 LEU 65 HD22 LEU 65 12.674 20.354 -18.476 371 HD23 LEU 65 HD23 LEU 65 11.648 21.775 -18.170 372 H TYR 66 H TYR 66 7.123 20.842 -19.543 373 HA TYR 66 HA TYR 66 6.483 18.062 -20.333 374 HB2 TYR 66 HB2 TYR 66 4.113 18.441 -19.805 375 HB3 TYR 66 HB3 TYR 66 5.165 18.462 -18.403 376 HD1 TYR 66 HD2 TYR 66 3.236 20.584 -20.753 377 HD2 TYR 66 HD1 TYR 66 5.413 20.405 -17.088 378 HE1 TYR 66 HE2 TYR 66 2.397 22.869 -20.197 379 HE2 TYR 66 HE1 TYR 66 4.516 22.689 -16.439 380 HH TYR 66 HH TYR 66 2.369 24.557 -18.610 381 H ASP 67 H ASP 67 4.679 17.918 -22.015 382 HA ASP 67 HA ASP 67 5.454 19.642 -24.243 383 HB2 ASP 67 HB2 ASP 67 4.989 17.109 -24.304 384 HB3 ASP 67 HB3 ASP 67 3.282 17.559 -24.335 385 H GLN 68 H GLN 68 4.173 20.879 -25.493 386 HA GLN 68 HA GLN 68 2.134 22.577 -24.345 387 HB2 GLN 68 HB2 GLN 68 2.682 22.252 -27.312 388 HB3 GLN 68 HB3 GLN 68 2.233 23.692 -26.440 389 HG2 GLN 68 HG2 GLN 68 4.374 24.323 -26.229 390 HG3 GLN 68 HG3 GLN 68 4.884 22.792 -25.552 391 HE21 GLN 68 HE22 GLN 68 4.920 20.850 -27.421 392 HE22 GLN 68 HE21 GLN 68 5.833 21.430 -28.805 393 H GLN 69 H GLN 69 2.249 19.840 -26.599 394 HA GLN 69 HA GLN 69 -0.585 19.873 -27.256 395 HB2 GLN 69 HB2 GLN 69 1.715 17.990 -27.826 396 HB3 GLN 69 HB3 GLN 69 0.062 17.496 -28.147 397 HG2 GLN 69 HG2 GLN 69 1.033 18.375 -30.172 398 HG3 GLN 69 HG3 GLN 69 -0.311 19.384 -29.646 399 HE21 GLN 69 HE22 GLN 69 3.314 19.211 -29.301 400 HE22 GLN 69 HE21 GLN 69 3.516 20.948 -29.451 401 H GLU 70 H GLU 70 1.365 18.121 -24.871 402 HA GLU 70 HA GLU 70 -1.074 16.945 -23.620 403 HB2 GLU 70 HB2 GLU 70 1.388 15.427 -24.580 404 HB3 GLU 70 HB3 GLU 70 0.300 14.816 -23.335 405 HG2 GLU 70 HG2 GLU 70 -1.612 15.067 -24.979 406 HG3 GLU 70 HG3 GLU 70 -0.415 15.439 -26.224 407 H GLN 71 H GLN 71 -0.944 18.268 -21.815 408 HA GLN 71 HA GLN 71 1.433 19.048 -20.503 409 HB2 GLN 71 HB2 GLN 71 -1.502 18.874 -19.781 410 HB3 GLN 71 HB3 GLN 71 -0.319 19.368 -18.565 411 HG2 GLN 71 HG2 GLN 71 -1.191 21.354 -19.513 412 HG3 GLN 71 HG3 GLN 71 0.463 21.198 -20.087 413 HE21 GLN 71 HE22 GLN 71 0.763 20.552 -22.465 414 HE22 GLN 71 HE21 GLN 71 -0.544 21.020 -23.536 415 H HIS 72 H HIS 72 -0.555 16.149 -19.972 416 HA HIS 72 HA HIS 72 0.884 15.193 -17.669 417 HB2 HIS 72 HB2 HIS 72 -0.508 13.126 -18.250 418 HB3 HIS 72 HB3 HIS 72 -1.422 14.606 -18.018 419 HD2 HIS 72 HD2 HIS 72 -0.281 12.132 -20.689 420 HE1 HIS 72 HE1 HIS 72 -2.779 14.969 -22.698 421 HE2 HIS 72 HE2 HIS 72 -1.439 12.807 -22.996 422 H MET 73 H MET 73 1.997 15.468 -20.844 423 HA MET 73 HA MET 73 3.764 13.075 -20.657 424 HB2 MET 73 HB2 MET 73 2.488 13.335 -22.771 425 HB3 MET 73 HB3 MET 73 3.228 14.924 -23.009 426 HG2 MET 73 HG2 MET 73 4.385 13.309 -24.355 427 HG3 MET 73 HG3 MET 73 5.461 13.896 -23.091 428 HE1 MET 73 HE1 MET 73 6.207 11.363 -24.812 429 HE2 MET 73 HE2 MET 73 7.152 12.103 -23.502 430 HE3 MET 73 HE3 MET 73 6.856 10.347 -23.504 431 H VAL 74 H VAL 74 5.836 13.347 -20.102 432 HA VAL 74 HA VAL 74 6.758 16.120 -19.447 433 HB VAL 74 HB VAL 74 7.603 13.464 -18.216 434 HG11 VAL 74 HG11 VAL 74 8.448 14.915 -16.397 435 HG12 VAL 74 HG12 VAL 74 9.229 15.292 -17.928 436 HG13 VAL 74 HG13 VAL 74 7.949 16.344 -17.293 437 HG21 VAL 74 HG21 VAL 74 6.194 14.143 -16.271 438 HG22 VAL 74 HG22 VAL 74 5.536 15.490 -17.229 439 HG23 VAL 74 HG23 VAL 74 5.220 13.802 -17.693 440 H TYR 75 H TYR 75 8.782 16.740 -20.032 441 HA TYR 75 HA TYR 75 10.609 15.038 -21.655 442 HB2 TYR 75 HB2 TYR 75 9.405 17.718 -22.360 443 HB3 TYR 75 HB3 TYR 75 10.958 17.193 -23.011 444 HD1 TYR 75 HD1 TYR 75 11.158 14.944 -24.133 445 HD2 TYR 75 HD2 TYR 75 7.356 16.831 -23.354 446 HE1 TYR 75 HE1 TYR 75 10.080 13.408 -25.734 447 HE2 TYR 75 HE2 TYR 75 6.276 15.308 -25.017 448 HH TYR 75 HH TYR 75 8.117 12.814 -26.816 449 H CYS 76 H CYS 76 12.022 14.818 -19.942 450 HA CYS 76 HA CYS 76 13.119 17.159 -18.504 451 HB2 CYS 76 HB2 CYS 76 13.244 14.170 -17.958 452 HB3 CYS 76 HB3 CYS 76 14.074 15.398 -16.988 453 HG CYS 76 HG CYS 76 11.957 16.802 -16.355 454 H GLY 77 H GLY 77 14.005 16.010 -21.362 455 HA2 GLY 77 HA2 GLY 77 16.658 15.131 -21.189 456 HA3 GLY 77 HA3 GLY 77 16.013 16.074 -22.533 457 H GLY 78 H GLY 78 18.448 15.989 -20.364 458 HA2 GLY 78 HA2 GLY 78 20.175 17.502 -20.021 459 HA3 GLY 78 HA3 GLY 78 19.198 18.806 -20.687 460 H ASP 79 H ASP 79 17.261 17.403 -18.312 461 HA ASP 79 HA ASP 79 18.014 19.463 -16.315 462 HB2 ASP 79 HB2 ASP 79 15.627 19.079 -17.113 463 HB3 ASP 79 HB3 ASP 79 15.663 17.547 -16.248 464 H LEU 80 H LEU 80 18.047 18.868 -13.957 465 HA LEU 80 HA LEU 80 19.751 16.657 -13.287 466 HB2 LEU 80 HB2 LEU 80 18.565 18.911 -11.928 467 HB3 LEU 80 HB3 LEU 80 18.002 17.461 -11.108 468 HG LEU 80 HG LEU 80 20.433 16.685 -10.987 469 HD11 LEU 80 HD11 LEU 80 21.361 18.204 -12.742 470 HD12 LEU 80 HD12 LEU 80 20.942 19.610 -11.741 471 HD13 LEU 80 HD13 LEU 80 22.164 18.443 -11.186 472 HD21 LEU 80 HD21 LEU 80 19.262 17.647 -9.062 473 HD22 LEU 80 HD22 LEU 80 20.955 18.162 -9.077 474 HD23 LEU 80 HD23 LEU 80 19.679 19.292 -9.594 475 H LEU 81 H LEU 81 16.165 17.105 -12.984 476 HA LEU 81 HA LEU 81 15.625 14.489 -12.112 477 HB2 LEU 81 HB2 LEU 81 14.002 16.303 -12.079 478 HB3 LEU 81 HB3 LEU 81 13.992 16.395 -13.833 479 HG LEU 81 HG LEU 81 12.855 14.279 -14.044 480 HD11 LEU 81 HD11 LEU 81 13.116 14.004 -11.023 481 HD12 LEU 81 HD12 LEU 81 12.036 13.020 -12.038 482 HD13 LEU 81 HD13 LEU 81 13.778 12.917 -12.252 483 HD21 LEU 81 HD21 LEU 81 11.499 16.287 -13.574 484 HD22 LEU 81 HD22 LEU 81 10.738 14.827 -12.927 485 HD23 LEU 81 HD23 LEU 81 11.584 15.948 -11.833 486 H GLY 82 H GLY 82 16.248 15.605 -15.443 487 HA2 GLY 82 HA2 GLY 82 15.607 13.138 -16.809 488 HA3 GLY 82 HA3 GLY 82 16.666 14.431 -17.388 489 H GLU 83 H GLU 83 18.661 14.427 -15.376 490 HA GLU 83 HA GLU 83 20.306 12.227 -16.177 491 HB2 GLU 83 HB2 GLU 83 21.856 13.619 -15.522 492 HB3 GLU 83 HB3 GLU 83 20.649 14.720 -14.878 493 HG2 GLU 83 HG2 GLU 83 20.785 13.714 -12.687 494 HG3 GLU 83 HG3 GLU 83 21.868 12.445 -13.271 495 H LEU 84 H LEU 84 18.378 12.792 -13.197 496 HA LEU 84 HA LEU 84 19.067 10.380 -11.890 497 HB2 LEU 84 HB2 LEU 84 17.960 12.184 -10.728 498 HB3 LEU 84 HB3 LEU 84 16.607 12.166 -11.856 499 HG LEU 84 HG LEU 84 15.938 9.920 -11.059 500 HD11 LEU 84 HD11 LEU 84 18.079 9.035 -10.295 501 HD12 LEU 84 HD12 LEU 84 18.216 10.328 -9.096 502 HD13 LEU 84 HD13 LEU 84 16.951 9.070 -8.940 503 HD21 LEU 84 HD21 LEU 84 15.060 10.654 -8.906 504 HD22 LEU 84 HD22 LEU 84 16.250 11.979 -8.865 505 HD23 LEU 84 HD23 LEU 84 14.973 11.957 -10.104 506 H LEU 85 H LEU 85 16.329 11.096 -14.058 507 HA LEU 85 HA LEU 85 15.096 8.544 -14.064 508 HB2 LEU 85 HB2 LEU 85 15.177 10.863 -16.032 509 HB3 LEU 85 HB3 LEU 85 14.343 9.390 -16.466 510 HG LEU 85 HG LEU 85 13.722 10.731 -13.828 511 HD11 LEU 85 HD11 LEU 85 13.508 12.455 -15.594 512 HD12 LEU 85 HD12 LEU 85 12.453 11.367 -16.514 513 HD13 LEU 85 HD13 LEU 85 11.959 11.969 -14.900 514 HD21 LEU 85 HD21 LEU 85 12.806 8.446 -14.271 515 HD22 LEU 85 HD22 LEU 85 11.523 9.664 -14.251 516 HD23 LEU 85 HD23 LEU 85 12.098 9.032 -15.797 517 H GLY 86 H GLY 86 17.709 9.779 -16.188 518 HA2 GLY 86 HA2 GLY 86 19.255 8.591 -17.481 519 HA3 GLY 86 HA3 GLY 86 18.484 7.061 -17.050 520 H ARG 87 H ARG 87 16.158 9.263 -18.036 521 HA ARG 87 HA ARG 87 16.267 8.872 -20.937 522 HB2 ARG 87 HB2 ARG 87 13.981 8.031 -21.105 523 HB3 ARG 87 HB3 ARG 87 15.084 6.870 -20.392 524 HG2 ARG 87 HG2 ARG 87 13.288 8.567 -18.638 525 HG3 ARG 87 HG3 ARG 87 12.662 7.134 -19.434 526 HD2 ARG 87 HD2 ARG 87 15.202 6.866 -17.855 527 HD3 ARG 87 HD3 ARG 87 13.677 7.036 -16.977 528 HE ARG 87 HE ARG 87 13.417 4.979 -18.950 529 HH11 ARG 87 HH11 ARG 87 15.249 5.471 -15.952 530 HH12 ARG 87 HH12 ARG 87 15.018 3.769 -15.511 531 HH21 ARG 87 HH21 ARG 87 13.345 2.796 -18.229 532 HH22 ARG 87 HH22 ARG 87 14.100 2.422 -16.680 533 H GLN 88 H GLN 88 15.410 10.477 -22.035 534 HA GLN 88 HA GLN 88 14.916 13.002 -20.677 535 HB2 GLN 88 HB2 GLN 88 14.712 13.875 -22.913 536 HB3 GLN 88 HB3 GLN 88 16.096 12.777 -22.827 537 HG2 GLN 88 HG2 GLN 88 14.727 11.013 -23.966 538 HG3 GLN 88 HG3 GLN 88 13.375 12.145 -24.067 539 HE21 GLN 88 HE22 GLN 88 13.711 14.165 -25.410 540 HE22 GLN 88 HE21 GLN 88 14.868 14.068 -26.729 541 H SER 89 H SER 89 12.728 10.492 -21.534 542 HA SER 89 HA SER 89 10.494 12.292 -20.753 543 HB2 SER 89 HB2 SER 89 9.163 11.731 -22.756 544 HB3 SER 89 HB3 SER 89 10.655 12.588 -23.167 545 HG SER 89 HG SER 89 10.279 10.753 -24.544 546 H PHE 90 H PHE 90 8.554 11.488 -20.312 547 HA PHE 90 HA PHE 90 7.756 8.735 -20.184 548 HB2 PHE 90 HB2 PHE 90 7.710 8.462 -17.787 549 HB3 PHE 90 HB3 PHE 90 9.367 8.766 -18.270 550 HD1 PHE 90 HD1 PHE 90 10.411 11.042 -17.863 551 HD2 PHE 90 HD2 PHE 90 6.561 9.930 -16.258 552 HE1 PHE 90 HE1 PHE 90 10.513 12.941 -16.312 553 HE2 PHE 90 HE2 PHE 90 6.688 11.807 -14.655 554 HZ PHE 90 HZ PHE 90 8.698 13.283 -14.605 555 H SER 91 H SER 91 5.543 8.761 -18.743 556 HA SER 91 HA SER 91 4.335 11.484 -18.791 557 HB2 SER 91 HB2 SER 91 2.476 10.837 -19.930 558 HB3 SER 91 HB3 SER 91 3.724 9.930 -20.787 559 HG SER 91 HG SER 91 2.106 8.491 -20.353 560 H VAL 92 H VAL 92 2.491 11.756 -17.549 561 HA VAL 92 HA VAL 92 2.390 10.825 -14.854 562 HB VAL 92 HB VAL 92 0.518 12.099 -16.806 563 HG11 VAL 92 HG11 VAL 92 -1.021 12.833 -15.170 564 HG12 VAL 92 HG12 VAL 92 -1.037 11.083 -15.279 565 HG13 VAL 92 HG13 VAL 92 -0.211 11.871 -13.900 566 HG21 VAL 92 HG21 VAL 92 0.901 14.157 -15.518 567 HG22 VAL 92 HG22 VAL 92 1.941 13.254 -14.398 568 HG23 VAL 92 HG23 VAL 92 2.424 13.472 -16.091 569 H LYS 93 H LYS 93 1.114 9.472 -17.830 570 HA LYS 93 HA LYS 93 -0.785 7.637 -16.472 571 HB2 LYS 93 HB2 LYS 93 -0.354 8.357 -19.399 572 HB3 LYS 93 HB3 LYS 93 -1.600 7.256 -18.797 573 HG2 LYS 93 HG2 LYS 93 -2.664 9.036 -17.515 574 HG3 LYS 93 HG3 LYS 93 -1.370 10.174 -17.913 575 HD2 LYS 93 HD2 LYS 93 -1.965 10.051 -20.310 576 HD3 LYS 93 HD3 LYS 93 -3.316 8.964 -19.913 577 HE2 LYS 93 HE2 LYS 93 -4.354 10.674 -18.507 578 HE3 LYS 93 HE3 LYS 93 -2.953 11.736 -18.675 579 HZ1 LYS 93 HZ1 LYS 93 -4.760 12.401 -20.160 580 HZ2 LYS 93 HZ2 LYS 93 -3.464 11.963 -21.045 581 HZ3 LYS 93 HZ3 LYS 93 -4.751 10.953 -20.914 582 H ASP 94 H ASP 94 2.365 7.557 -17.827 583 HA ASP 94 HA ASP 94 2.521 4.604 -17.398 584 HB2 ASP 94 HB2 ASP 94 2.555 5.116 -19.793 585 HB3 ASP 94 HB3 ASP 94 3.882 6.255 -19.554 586 HA PRO 95 HA PRO 95 5.240 7.158 -14.647 587 HB2 PRO 95 HB2 PRO 95 4.587 6.159 -12.216 588 HB3 PRO 95 HB3 PRO 95 3.472 7.202 -13.145 589 HG2 PRO 95 HG2 PRO 95 3.483 4.166 -13.058 590 HG3 PRO 95 HG3 PRO 95 2.108 5.275 -12.727 591 HD2 PRO 95 HD2 PRO 95 2.483 4.188 -15.190 592 HD3 PRO 95 HD3 PRO 95 1.918 5.876 -14.998 593 H SER 96 H SER 96 5.427 3.784 -15.299 594 HA SER 96 HA SER 96 7.020 2.614 -13.489 595 HB2 SER 96 HB2 SER 96 7.358 2.365 -16.496 596 HB3 SER 96 HB3 SER 96 7.908 1.191 -15.282 597 HG SER 96 HG SER 96 5.829 0.661 -16.168 598 HA PRO 97 HA PRO 97 11.266 4.110 -15.136 599 HB2 PRO 97 HB2 PRO 97 11.505 6.618 -16.258 600 HB3 PRO 97 HB3 PRO 97 11.266 5.102 -17.182 601 HG2 PRO 97 HG2 PRO 97 9.155 7.082 -16.293 602 HG3 PRO 97 HG3 PRO 97 9.412 6.387 -17.934 603 HD2 PRO 97 HD2 PRO 97 7.579 5.359 -16.317 604 HD3 PRO 97 HD3 PRO 97 8.627 4.259 -17.249 605 H LEU 98 H LEU 98 8.926 6.274 -13.548 606 HA LEU 98 HA LEU 98 10.835 7.743 -11.952 607 HB2 LEU 98 HB2 LEU 98 7.951 6.870 -11.340 608 HB3 LEU 98 HB3 LEU 98 8.839 8.109 -10.502 609 HG LEU 98 HG LEU 98 8.060 8.283 -13.438 610 HD11 LEU 98 HD11 LEU 98 6.061 8.205 -11.991 611 HD12 LEU 98 HD12 LEU 98 6.716 9.530 -11.003 612 HD13 LEU 98 HD13 LEU 98 6.288 9.806 -12.707 613 HD21 LEU 98 HD21 LEU 98 8.962 10.386 -11.422 614 HD22 LEU 98 HD22 LEU 98 9.996 9.703 -12.690 615 HD23 LEU 98 HD23 LEU 98 8.585 10.670 -13.130 616 H TYR 99 H TYR 99 8.863 4.794 -11.417 617 HA TYR 99 HA TYR 99 9.979 4.291 -8.830 618 HB2 TYR 99 HB2 TYR 99 8.452 2.553 -10.818 619 HB3 TYR 99 HB3 TYR 99 8.908 2.011 -9.213 620 HD1 TYR 99 HD2 TYR 99 6.900 4.693 -10.999 621 HD2 TYR 99 HD1 TYR 99 7.666 2.593 -7.291 622 HE1 TYR 99 HE2 TYR 99 4.811 5.622 -10.017 623 HE2 TYR 99 HE1 TYR 99 5.567 3.524 -6.334 624 HH TYR 99 HH TYR 99 3.691 4.802 -6.720 625 H ASP 100 H ASP 100 11.006 3.411 -12.087 626 HA ASP 100 HA ASP 100 13.018 1.494 -11.377 627 HB2 ASP 100 HB2 ASP 100 11.954 1.969 -13.619 628 HB3 ASP 100 HB3 ASP 100 12.960 3.397 -13.706 629 H MET 101 H MET 101 13.091 5.007 -11.800 630 HA MET 101 HA MET 101 15.921 5.250 -11.162 631 HB2 MET 101 HB2 MET 101 15.755 7.440 -11.623 632 HB3 MET 101 HB3 MET 101 14.283 6.916 -12.435 633 HG2 MET 101 HG2 MET 101 13.200 7.379 -10.097 634 HG3 MET 101 HG3 MET 101 14.634 8.321 -9.777 635 HE1 MET 101 HE1 MET 101 12.373 9.987 -9.198 636 HE2 MET 101 HE2 MET 101 11.217 10.389 -10.491 637 HE3 MET 101 HE3 MET 101 11.354 8.715 -9.915 638 H LEU 102 H LEU 102 13.010 5.086 -9.104 639 HA LEU 102 HA LEU 102 14.439 6.146 -6.759 640 HB2 LEU 102 HB2 LEU 102 11.623 5.054 -7.187 641 HB3 LEU 102 HB3 LEU 102 12.231 5.620 -5.639 642 HG LEU 102 HG LEU 102 11.921 7.355 -8.121 643 HD11 LEU 102 HD11 LEU 102 9.771 6.661 -7.081 644 HD12 LEU 102 HD12 LEU 102 10.337 7.338 -5.531 645 HD13 LEU 102 HD13 LEU 102 10.076 8.398 -6.934 646 HD21 LEU 102 HD21 LEU 102 12.297 9.249 -6.557 647 HD22 LEU 102 HD22 LEU 102 12.753 8.087 -5.292 648 HD23 LEU 102 HD23 LEU 102 13.726 8.242 -6.781 649 H ARG 103 H ARG 103 13.211 2.979 -7.925 650 HA ARG 103 HA ARG 103 13.405 1.527 -5.655 651 HB2 ARG 103 HB2 ARG 103 13.381 -0.430 -6.950 652 HB3 ARG 103 HB3 ARG 103 12.427 0.834 -7.737 653 HG2 ARG 103 HG2 ARG 103 14.214 1.215 -9.369 654 HG3 ARG 103 HG3 ARG 103 15.216 -0.044 -8.602 655 HD2 ARG 103 HD2 ARG 103 13.412 -1.686 -9.015 656 HD3 ARG 103 HD3 ARG 103 12.442 -0.426 -9.770 657 HE ARG 103 HE ARG 103 14.002 -0.298 -11.634 658 HH11 ARG 103 HH11 ARG 103 14.797 -3.057 -9.587 659 HH12 ARG 103 HH12 ARG 103 15.752 -3.772 -10.857 660 HH21 ARG 103 HH21 ARG 103 15.130 -1.178 -13.073 661 HH22 ARG 103 HH22 ARG 103 15.950 -2.726 -12.845 662 H LYS 104 H LYS 104 16.169 2.298 -7.592 663 HA LYS 104 HA LYS 104 18.042 0.735 -5.916 664 HB2 LYS 104 HB2 LYS 104 19.652 1.585 -7.790 665 HB3 LYS 104 HB3 LYS 104 18.604 0.203 -8.015 666 HG2 LYS 104 HG2 LYS 104 18.743 1.621 -10.005 667 HG3 LYS 104 HG3 LYS 104 17.110 1.449 -9.412 668 HD2 LYS 104 HD2 LYS 104 17.447 3.727 -10.125 669 HD3 LYS 104 HD3 LYS 104 17.223 3.699 -8.379 670 HE2 LYS 104 HE2 LYS 104 18.842 5.316 -8.939 671 HE3 LYS 104 HE3 LYS 104 19.606 4.031 -8.007 672 HZ1 LYS 104 HZ1 LYS 104 20.542 3.151 -10.110 673 HZ2 LYS 104 HZ2 LYS 104 19.786 4.312 -10.982 674 HZ3 LYS 104 HZ3 LYS 104 20.966 4.713 -9.934 675 H ASN 105 H ASN 105 16.949 3.931 -5.831 676 HA ASN 105 HA ASN 105 19.470 4.740 -4.383 677 HB2 ASN 105 HB2 ASN 105 17.746 6.307 -6.276 678 HB3 ASN 105 HB3 ASN 105 18.405 7.149 -4.869 679 HD21 ASN 105 HD22 ASN 105 20.908 6.244 -4.457 680 HD22 ASN 105 HD21 ASN 105 21.853 6.327 -5.925 681 H LEU 106 H LEU 106 15.901 5.052 -4.405 682 HA LEU 106 HA LEU 106 15.854 6.072 -1.657 683 HB2 LEU 106 HB2 LEU 106 14.588 6.882 -3.763 684 HB3 LEU 106 HB3 LEU 106 13.673 5.388 -3.668 685 HG LEU 106 HG LEU 106 12.469 7.194 -2.900 686 HD11 LEU 106 HD11 LEU 106 11.565 6.457 -0.848 687 HD12 LEU 106 HD12 LEU 106 12.142 5.017 -1.715 688 HD13 LEU 106 HD13 LEU 106 13.082 5.702 -0.354 689 HD21 LEU 106 HD21 LEU 106 14.272 8.682 -2.139 690 HD22 LEU 106 HD22 LEU 106 12.993 8.548 -0.911 691 HD23 LEU 106 HD23 LEU 106 14.515 7.670 -0.690 692 H VAL 107 H VAL 107 15.391 4.823 0.043 693 HA VAL 107 HA VAL 107 14.586 1.988 -0.420 694 HB VAL 107 HB VAL 107 15.997 3.148 2.014 695 HG11 VAL 107 HG11 VAL 107 16.248 0.775 2.699 696 HG12 VAL 107 HG12 VAL 107 14.550 1.248 2.645 697 HG13 VAL 107 HG13 VAL 107 15.239 0.269 1.328 698 HG21 VAL 107 HG21 VAL 107 17.905 1.743 1.271 699 HG22 VAL 107 HG22 VAL 107 17.012 1.312 -0.205 700 HG23 VAL 107 HG23 VAL 107 17.521 2.991 0.083 701 H THR 108 H THR 108 12.543 1.429 0.164 702 HA THR 108 HA THR 108 11.019 3.123 2.079 703 HB THR 108 HB THR 108 10.794 4.117 -0.129 704 HG1 THR 108 HG1 THR 108 9.129 4.452 1.225 705 HG21 THR 108 HG21 THR 108 9.398 3.057 -1.855 706 HG22 THR 108 HG22 THR 108 10.893 2.146 -1.605 707 HG23 THR 108 HG23 THR 108 9.362 1.552 -0.925 708 H LEU 109 H LEU 109 8.587 2.176 1.944 709 HA LEU 109 HA LEU 109 8.860 -0.345 3.373 710 HB2 LEU 109 HB2 LEU 109 7.126 1.858 3.430 711 HB3 LEU 109 HB3 LEU 109 6.106 0.521 2.920 712 HG LEU 109 HG LEU 109 7.954 0.477 5.357 713 HD11 LEU 109 HD11 LEU 109 6.183 2.144 5.579 714 HD12 LEU 109 HD12 LEU 109 4.956 0.918 5.178 715 HD13 LEU 109 HD13 LEU 109 5.913 0.779 6.675 716 HD21 LEU 109 HD21 LEU 109 6.556 -1.456 6.080 717 HD22 LEU 109 HD22 LEU 109 5.721 -1.424 4.511 718 HD23 LEU 109 HD23 LEU 109 7.455 -1.805 4.604 719 H ALA 110 H ALA 110 7.981 0.439 0.098 720 HA ALA 110 HA ALA 110 6.399 -1.840 -0.566 721 HB1 ALA 110 HB1 ALA 110 6.904 -1.198 -2.889 722 HB2 ALA 110 HB2 ALA 110 6.497 0.228 -1.915 723 HB3 ALA 110 HB3 ALA 110 8.196 -0.116 -2.328 724 H THR 111 H THR 111 6.878 -3.843 -1.360 725 HA THR 111 HA THR 111 9.685 -4.745 -1.693 726 HB THR 111 HB THR 111 9.052 -4.932 0.693 727 HG1 THR 111 HG1 THR 111 10.565 -6.360 -0.055 728 HG21 THR 111 HG21 THR 111 7.531 -6.661 1.472 729 HG22 THR 111 HG22 THR 111 6.646 -5.467 0.513 730 HG23 THR 111 HG23 THR 111 7.048 -7.052 -0.189 731 HD1 48M 200 HD1 48M 200 2.549 15.135 -13.025 732 HD2 48M 200 HD2 48M 200 2.963 13.605 -9.019 733 HD3 48M 200 HD3 48M 200 -0.840 11.885 -8.986 734 HD4 48M 200 HD4 48M 200 1.863 12.321 -12.291 735 HD5 48M 200 HD5 48M 200 -2.498 14.348 -13.662 736 HE1 48M 200 HE1 48M 200 4.790 14.252 -13.587 737 HE2 48M 200 HE2 48M 200 5.169 12.686 -9.614 738 HE3 48M 200 HE3 48M 200 -0.180 9.510 -8.766 739 HE5 48M 200 HE5 48M 200 -3.525 15.175 -15.719 740 HE6 48M 200 HE6 48M 200 -0.365 18.026 -16.188 741 HZ2 48M 200 HZ2 48M 200 1.548 8.558 -10.278 742 HM21 48M 200 HM21 48M 200 3.749 17.202 -13.847 743 HM22 48M 200 HM22 48M 200 3.324 15.929 -15.017 744 HM23 48M 200 HM23 48M 200 4.132 17.392 -15.571 745 HM31 48M 200 HM31 48M 200 2.529 19.468 -13.996 746 HM32 48M 200 HM32 48M 200 2.769 19.612 -15.746 747 HM33 48M 200 HM33 48M 200 1.133 19.650 -15.074 748 HN1 48M 200 HN1 48M 200 -2.910 20.907 -11.161 749 H21 48M 200 H21 48M 200 -2.294 18.736 -9.687 750 H22 48M 200 H22 48M 200 -3.544 18.636 -10.946 751 H31 48M 200 H31 48M 200 -1.822 16.841 -11.088 752 H32 48M 200 H32 48M 200 -1.947 17.819 -12.569 753 H41 48M 200 H41 48M 200 0.749 19.768 -12.451 754 H42 48M 200 H42 48M 200 0.789 19.842 -10.678 755 H7 48M 200 H7 48M 200 -0.614 13.968 -9.872 756 H8 48M 200 H8 48M 200 1.166 15.284 -9.626 757 H9 48M 200 H9 48M 200 1.711 17.396 -16.118 Start of MODEL 16 1 H1 GLN 23 H GLN 23 5.798 14.861 13.184 2 HA GLN 23 HA GLN 23 8.277 15.143 11.661 3 HB2 GLN 23 HB2 GLN 23 8.140 13.194 14.001 4 HB3 GLN 23 HB3 GLN 23 9.405 13.215 12.762 5 HG2 GLN 23 HG2 GLN 23 10.069 15.499 13.450 6 HG3 GLN 23 HG3 GLN 23 8.804 15.511 14.681 7 HE21 GLN 23 HE22 GLN 23 11.008 16.049 15.882 8 HE22 GLN 23 HE21 GLN 23 11.766 14.641 16.617 9 H ILE 24 H ILE 24 8.495 13.631 10.027 10 HA ILE 24 HA ILE 24 5.997 12.325 9.300 11 HB ILE 24 HB ILE 24 8.611 12.933 7.915 12 HG12 ILE 24 HG12 ILE 24 5.765 13.590 7.068 13 HG13 ILE 24 HG13 ILE 24 6.641 14.587 8.234 14 HG21 ILE 24 HG21 ILE 24 8.107 10.721 7.077 15 HG22 ILE 24 HG22 ILE 24 6.409 11.150 6.786 16 HG23 ILE 24 HG23 ILE 24 7.694 11.889 5.818 17 HD11 ILE 24 HD11 ILE 24 8.418 15.003 6.542 18 HD12 ILE 24 HD12 ILE 24 7.455 14.099 5.345 19 HD13 ILE 24 HD13 ILE 24 6.819 15.591 6.050 20 H ASN 25 H ASN 25 9.136 11.123 10.283 21 HA ASN 25 HA ASN 25 9.857 9.103 10.882 22 HB2 ASN 25 HB2 ASN 25 6.926 8.545 11.219 23 HB3 ASN 25 HB3 ASN 25 8.094 7.256 11.334 24 HD21 ASN 25 HD22 ASN 25 8.358 10.622 12.268 25 HD22 ASN 25 HD21 ASN 25 8.662 10.346 13.996 26 H GLN 26 H GLN 26 10.155 9.681 8.346 27 HA GLN 26 HA GLN 26 10.158 7.090 6.970 28 HB2 GLN 26 HB2 GLN 26 8.183 8.672 6.204 29 HB3 GLN 26 HB3 GLN 26 9.457 9.294 5.150 30 HG2 GLN 26 HG2 GLN 26 8.376 7.441 4.017 31 HG3 GLN 26 HG3 GLN 26 9.926 6.838 4.498 32 HE21 GLN 26 HE22 GLN 26 9.833 4.762 5.381 33 HE22 GLN 26 HE21 GLN 26 8.467 4.174 6.320 34 H VAL 27 H VAL 27 11.420 7.838 4.568 35 HA VAL 27 HA VAL 27 14.130 8.248 5.724 36 HB VAL 27 HB VAL 27 14.932 6.771 3.922 37 HG11 VAL 27 HG11 VAL 27 14.137 5.767 6.050 38 HG12 VAL 27 HG12 VAL 27 12.549 5.484 5.303 39 HG13 VAL 27 HG13 VAL 27 13.995 4.687 4.657 40 HG21 VAL 27 HG21 VAL 27 13.495 5.656 2.370 41 HG22 VAL 27 HG22 VAL 27 12.041 6.432 3.037 42 HG23 VAL 27 HG23 VAL 27 13.258 7.385 2.162 43 H ARG 28 H ARG 28 15.868 8.959 4.446 44 HA ARG 28 HA ARG 28 15.142 11.304 2.811 45 HB2 ARG 28 HB2 ARG 28 16.462 11.708 4.786 46 HB3 ARG 28 HB3 ARG 28 17.707 10.586 4.246 47 HG2 ARG 28 HG2 ARG 28 18.291 12.059 2.373 48 HG3 ARG 28 HG3 ARG 28 16.891 13.080 2.692 49 HD2 ARG 28 HD2 ARG 28 18.731 14.262 3.527 50 HD3 ARG 28 HD3 ARG 28 17.902 13.619 4.955 51 HE ARG 28 HE ARG 28 19.884 11.740 4.291 52 HH11 ARG 28 HH11 ARG 28 19.851 15.138 5.255 53 HH12 ARG 28 HH12 ARG 28 21.423 15.010 6.008 54 HH21 ARG 28 HH21 ARG 28 21.885 11.680 5.280 55 HH22 ARG 28 HH22 ARG 28 22.537 13.113 6.016 56 HA PRO 29 HA PRO 29 16.580 9.182 -0.931 57 HB2 PRO 29 HB2 PRO 29 16.768 11.936 -2.066 58 HB3 PRO 29 HB3 PRO 29 15.833 10.534 -2.656 59 HG2 PRO 29 HG2 PRO 29 14.669 12.710 -1.440 60 HG3 PRO 29 HG3 PRO 29 14.016 11.054 -1.266 61 HD2 PRO 29 HD2 PRO 29 15.709 12.627 0.658 62 HD3 PRO 29 HD3 PRO 29 14.328 11.526 0.959 63 H LYS 30 H LYS 30 18.474 9.323 -2.457 64 HA LYS 30 HA LYS 30 20.950 10.153 -1.168 65 HB2 LYS 30 HB2 LYS 30 20.454 8.328 -3.119 66 HB3 LYS 30 HB3 LYS 30 20.901 9.695 -4.143 67 HG2 LYS 30 HG2 LYS 30 22.942 9.848 -2.389 68 HG3 LYS 30 HG3 LYS 30 22.499 8.157 -2.097 69 HD2 LYS 30 HD2 LYS 30 22.947 7.592 -4.422 70 HD3 LYS 30 HD3 LYS 30 23.198 9.302 -4.841 71 HE2 LYS 30 HE2 LYS 30 25.128 9.402 -3.284 72 HE3 LYS 30 HE3 LYS 30 24.871 7.711 -2.838 73 HZ1 LYS 30 HZ1 LYS 30 25.590 8.655 -5.573 74 HZ2 LYS 30 HZ2 LYS 30 26.607 7.932 -4.526 75 HZ3 LYS 30 HZ3 LYS 30 25.362 7.090 -5.151 76 H LEU 31 H LEU 31 22.453 11.760 -2.109 77 HA LEU 31 HA LEU 31 21.453 14.293 -1.970 78 HB2 LEU 31 HB2 LEU 31 23.760 13.671 -1.604 79 HB3 LEU 31 HB3 LEU 31 23.990 13.281 -3.304 80 HG LEU 31 HG LEU 31 23.670 15.651 -3.903 81 HD11 LEU 31 HD11 LEU 31 22.244 16.465 -2.077 82 HD12 LEU 31 HD12 LEU 31 23.514 16.097 -0.888 83 HD13 LEU 31 HD13 LEU 31 23.754 17.383 -2.086 84 HD21 LEU 31 HD21 LEU 31 25.762 15.204 -1.735 85 HD22 LEU 31 HD22 LEU 31 25.927 14.767 -3.451 86 HD23 LEU 31 HD23 LEU 31 25.802 16.470 -2.983 87 HA PRO 32 HA PRO 32 21.216 15.114 -6.685 88 HB2 PRO 32 HB2 PRO 32 20.921 12.996 -8.442 89 HB3 PRO 32 HB3 PRO 32 22.481 13.774 -8.029 90 HG2 PRO 32 HG2 PRO 32 21.276 11.258 -6.838 91 HG3 PRO 32 HG3 PRO 32 22.950 11.517 -7.424 92 HD2 PRO 32 HD2 PRO 32 22.379 11.686 -4.809 93 HD3 PRO 32 HD3 PRO 32 23.492 12.866 -5.555 94 H LEU 33 H LEU 33 19.438 12.294 -5.389 95 HA LEU 33 HA LEU 33 16.949 12.876 -6.795 96 HB2 LEU 33 HB2 LEU 33 17.630 11.172 -4.346 97 HB3 LEU 33 HB3 LEU 33 15.974 11.511 -4.835 98 HG LEU 33 HG LEU 33 16.465 10.469 -7.057 99 HD11 LEU 33 HD11 LEU 33 18.375 8.859 -7.123 100 HD12 LEU 33 HD12 LEU 33 18.913 10.538 -7.102 101 HD13 LEU 33 HD13 LEU 33 18.997 9.562 -5.614 102 HD21 LEU 33 HD21 LEU 33 15.262 9.325 -5.240 103 HD22 LEU 33 HD22 LEU 33 16.242 8.194 -6.180 104 HD23 LEU 33 HD23 LEU 33 16.798 8.741 -4.571 105 H LEU 34 H LEU 34 18.207 13.580 -3.511 106 HA LEU 34 HA LEU 34 15.933 15.061 -2.628 107 HB2 LEU 34 HB2 LEU 34 17.709 14.057 -1.186 108 HB3 LEU 34 HB3 LEU 34 18.867 15.237 -1.792 109 HG LEU 34 HG LEU 34 17.562 17.077 -0.746 110 HD11 LEU 34 HD11 LEU 34 15.775 16.457 0.912 111 HD12 LEU 34 HD12 LEU 34 15.288 16.186 -0.761 112 HD13 LEU 34 HD13 LEU 34 15.779 14.812 0.261 113 HD21 LEU 34 HD21 LEU 34 19.363 15.953 0.508 114 HD22 LEU 34 HD22 LEU 34 18.069 16.486 1.590 115 HD23 LEU 34 HD23 LEU 34 18.198 14.769 1.139 116 H LYS 35 H LYS 35 18.889 16.195 -4.365 117 HA LYS 35 HA LYS 35 18.383 18.936 -4.227 118 HB2 LYS 35 HB2 LYS 35 20.345 17.407 -5.344 119 HB3 LYS 35 HB3 LYS 35 19.451 17.799 -6.801 120 HG2 LYS 35 HG2 LYS 35 21.053 19.535 -6.625 121 HG3 LYS 35 HG3 LYS 35 19.579 20.267 -5.998 122 HD2 LYS 35 HD2 LYS 35 21.081 20.873 -4.311 123 HD3 LYS 35 HD3 LYS 35 20.444 19.361 -3.658 124 HE2 LYS 35 HE2 LYS 35 22.762 19.241 -3.319 125 HE3 LYS 35 HE3 LYS 35 22.434 18.155 -4.671 126 HZ1 LYS 35 HZ1 LYS 35 23.490 20.941 -4.909 127 HZ2 LYS 35 HZ2 LYS 35 24.380 19.590 -5.082 128 HZ3 LYS 35 HZ3 LYS 35 23.227 19.943 -6.178 129 H ILE 36 H ILE 36 17.021 16.703 -6.657 130 HA ILE 36 HA ILE 36 15.566 18.563 -8.288 131 HB ILE 36 HB ILE 36 15.043 15.683 -7.572 132 HG12 ILE 36 HG12 ILE 36 16.097 16.872 -10.169 133 HG13 ILE 36 HG13 ILE 36 17.201 16.534 -8.848 134 HG21 ILE 36 HG21 ILE 36 13.752 17.433 -9.725 135 HG22 ILE 36 HG22 ILE 36 13.576 15.674 -9.588 136 HG23 ILE 36 HG23 ILE 36 12.919 16.711 -8.335 137 HD11 ILE 36 HD11 ILE 36 16.580 14.216 -8.774 138 HD12 ILE 36 HD12 ILE 36 15.427 14.443 -10.107 139 HD13 ILE 36 HD13 ILE 36 17.170 14.670 -10.386 140 H LEU 37 H LEU 37 14.546 16.686 -5.310 141 HA LEU 37 HA LEU 37 11.907 17.731 -5.093 142 HB2 LEU 37 HB2 LEU 37 13.876 16.397 -3.182 143 HB3 LEU 37 HB3 LEU 37 12.250 16.811 -2.691 144 HG LEU 37 HG LEU 37 11.275 15.189 -3.820 145 HD11 LEU 37 HD11 LEU 37 11.906 15.611 -6.133 146 HD12 LEU 37 HD12 LEU 37 13.453 14.771 -5.858 147 HD13 LEU 37 HD13 LEU 37 11.922 13.895 -5.736 148 HD21 LEU 37 HD21 LEU 37 14.004 13.959 -3.486 149 HD22 LEU 37 HD22 LEU 37 12.804 14.211 -2.190 150 HD23 LEU 37 HD23 LEU 37 12.459 13.093 -3.524 151 H HIS 38 H HIS 38 14.972 18.759 -3.562 152 HA HIS 38 HA HIS 38 13.793 20.916 -2.017 153 HB2 HIS 38 HB2 HIS 38 16.566 19.974 -2.727 154 HB3 HIS 38 HB3 HIS 38 16.348 21.584 -2.033 155 HD2 HIS 38 HD2 HIS 38 13.878 19.040 -0.731 156 HE1 HIS 38 HE1 HIS 38 16.721 19.638 2.387 157 HE2 HIS 38 HE2 HIS 38 14.430 18.665 1.824 158 H ALA 39 H ALA 39 15.318 20.838 -5.265 159 HA ALA 39 HA ALA 39 15.055 23.651 -5.752 160 HB1 ALA 39 HB1 ALA 39 15.204 21.238 -7.579 161 HB2 ALA 39 HB2 ALA 39 15.300 22.932 -8.132 162 HB3 ALA 39 HB3 ALA 39 16.545 22.271 -7.054 163 H ALA 40 H ALA 40 12.690 21.073 -5.697 164 HA ALA 40 HA ALA 40 10.630 22.717 -6.932 165 HB1 ALA 40 HB1 ALA 40 10.905 20.060 -6.747 166 HB2 ALA 40 HB2 ALA 40 9.964 20.302 -5.276 167 HB3 ALA 40 HB3 ALA 40 9.319 20.856 -6.839 168 H GLY 41 H GLY 41 11.889 22.309 -3.651 169 HA2 GLY 41 HA2 GLY 41 11.309 23.615 -1.777 170 HA3 GLY 41 HA3 GLY 41 9.774 24.064 -2.513 171 H ALA 42 H ALA 42 11.513 21.149 -1.326 172 HA ALA 42 HA ALA 42 9.090 19.726 -0.612 173 HB1 ALA 42 HB1 ALA 42 10.530 17.988 0.117 174 HB2 ALA 42 HB2 ALA 42 11.235 18.648 -1.359 175 HB3 ALA 42 HB3 ALA 42 11.916 19.084 0.238 176 H GLN 43 H GLN 43 8.567 18.947 1.536 177 HA GLN 43 HA GLN 43 8.727 21.143 3.493 178 HB2 GLN 43 HB2 GLN 43 6.580 20.059 2.530 179 HB3 GLN 43 HB3 GLN 43 6.896 18.743 3.666 180 HG2 GLN 43 HG2 GLN 43 6.829 20.423 5.544 181 HG3 GLN 43 HG3 GLN 43 6.547 21.702 4.366 182 HE21 GLN 43 HE22 GLN 43 4.687 21.735 6.212 183 HE22 GLN 43 HE21 GLN 43 3.210 20.936 5.687 184 H GLY 44 H GLY 44 11.055 19.452 3.210 185 HA2 GLY 44 HA2 GLY 44 12.146 19.151 5.664 186 HA3 GLY 44 HA3 GLY 44 11.157 17.696 5.577 187 H GLU 45 H GLU 45 13.136 16.561 5.818 188 HA GLU 45 HA GLU 45 14.453 15.981 3.175 189 HB2 GLU 45 HB2 GLU 45 15.584 15.844 5.994 190 HB3 GLU 45 HB3 GLU 45 16.345 15.110 4.582 191 HG2 GLU 45 HG2 GLU 45 16.554 17.293 3.488 192 HG3 GLU 45 HG3 GLU 45 15.769 18.075 4.864 193 H MET 46 H MET 46 12.313 14.711 5.474 194 HA MET 46 HA MET 46 13.016 11.854 4.864 195 HB2 MET 46 HB2 MET 46 11.736 11.383 6.984 196 HB3 MET 46 HB3 MET 46 13.398 11.977 7.106 197 HG2 MET 46 HG2 MET 46 12.740 14.076 7.781 198 HG3 MET 46 HG3 MET 46 11.063 13.852 7.275 199 HE1 MET 46 HE1 MET 46 11.443 15.131 9.967 200 HE2 MET 46 HE2 MET 46 11.812 14.106 11.379 201 HE3 MET 46 HE3 MET 46 13.062 14.413 10.148 202 H PHE 47 H PHE 47 11.573 11.158 3.262 203 HA PHE 47 HA PHE 47 8.658 11.499 3.820 204 HB2 PHE 47 HB2 PHE 47 9.080 11.894 1.002 205 HB3 PHE 47 HB3 PHE 47 8.249 12.886 2.175 206 HD1 PHE 47 HD2 PHE 47 11.755 12.060 1.079 207 HD2 PHE 47 HD1 PHE 47 9.039 15.071 2.544 208 HE1 PHE 47 HE2 PHE 47 13.488 13.780 0.782 209 HE2 PHE 47 HE1 PHE 47 10.741 16.826 2.105 210 HZ PHE 47 HZ PHE 47 12.968 16.192 1.193 211 H THR 48 H THR 48 7.241 10.277 2.498 212 HA THR 48 HA THR 48 8.107 7.515 1.877 213 HB THR 48 HB THR 48 5.647 7.250 1.318 214 HG1 THR 48 HG1 THR 48 5.446 9.874 2.372 215 HG21 THR 48 HG21 THR 48 6.282 8.361 4.079 216 HG22 THR 48 HG22 THR 48 4.760 7.561 3.591 217 HG23 THR 48 HG23 THR 48 6.286 6.668 3.546 218 H VAL 49 H VAL 49 7.379 6.474 -0.160 219 HA VAL 49 HA VAL 49 8.487 7.457 -2.499 220 HB VAL 49 HB VAL 49 7.954 5.148 -1.979 221 HG11 VAL 49 HG11 VAL 49 5.149 5.661 -2.996 222 HG12 VAL 49 HG12 VAL 49 5.875 4.114 -2.546 223 HG13 VAL 49 HG13 VAL 49 5.583 5.327 -1.296 224 HG21 VAL 49 HG21 VAL 49 8.679 5.857 -4.225 225 HG22 VAL 49 HG22 VAL 49 7.570 4.481 -4.307 226 HG23 VAL 49 HG23 VAL 49 6.984 6.110 -4.700 227 H LYS 50 H LYS 50 5.158 7.621 -1.349 228 HA LYS 50 HA LYS 50 4.033 8.878 -3.644 229 HB2 LYS 50 HB2 LYS 50 2.053 8.782 -2.383 230 HB3 LYS 50 HB3 LYS 50 2.974 7.324 -2.030 231 HG2 LYS 50 HG2 LYS 50 3.688 8.247 0.097 232 HG3 LYS 50 HG3 LYS 50 2.790 9.756 -0.201 233 HD2 LYS 50 HD2 LYS 50 0.682 8.399 -0.264 234 HD3 LYS 50 HD3 LYS 50 1.647 6.949 0.119 235 HE2 LYS 50 HE2 LYS 50 2.441 8.045 2.213 236 HE3 LYS 50 HE3 LYS 50 1.466 9.469 1.838 237 HZ1 LYS 50 HZ1 LYS 50 0.369 6.743 2.331 238 HZ2 LYS 50 HZ2 LYS 50 0.303 7.990 3.380 239 HZ3 LYS 50 HZ3 LYS 50 -0.530 8.063 1.981 240 H GLU 51 H GLU 51 5.464 10.205 -0.697 241 HA GLU 51 HA GLU 51 4.752 12.985 -1.321 242 HB2 GLU 51 HB2 GLU 51 6.677 11.706 0.640 243 HB3 GLU 51 HB3 GLU 51 6.428 13.450 0.505 244 HG2 GLU 51 HG2 GLU 51 4.113 13.265 1.138 245 HG3 GLU 51 HG3 GLU 51 4.151 11.510 1.080 246 H VAL 52 H VAL 52 7.800 10.990 -1.592 247 HA VAL 52 HA VAL 52 9.356 13.080 -2.690 248 HB VAL 52 HB VAL 52 10.744 11.388 -3.723 249 HG11 VAL 52 HG11 VAL 52 11.682 10.551 -1.620 250 HG12 VAL 52 HG12 VAL 52 11.076 12.198 -1.371 251 HG13 VAL 52 HG13 VAL 52 10.133 10.795 -0.799 252 HG21 VAL 52 HG21 VAL 52 9.059 9.338 -2.454 253 HG22 VAL 52 HG22 VAL 52 9.297 9.536 -4.211 254 HG23 VAL 52 HG23 VAL 52 10.646 9.047 -3.175 255 H MET 53 H MET 53 7.499 10.627 -4.432 256 HA MET 53 HA MET 53 7.897 11.858 -6.979 257 HB2 MET 53 HB2 MET 53 6.427 10.397 -7.920 258 HB3 MET 53 HB3 MET 53 7.132 9.495 -6.583 259 HG2 MET 53 HG2 MET 53 5.083 10.029 -5.227 260 HG3 MET 53 HG3 MET 53 4.379 10.817 -6.636 261 HE1 MET 53 HE1 MET 53 3.839 7.886 -9.154 262 HE2 MET 53 HE2 MET 53 3.691 9.633 -8.863 263 HE3 MET 53 HE3 MET 53 5.289 8.880 -9.060 264 H HIS 54 H HIS 54 5.622 12.861 -4.456 265 HA HIS 54 HA HIS 54 3.910 14.420 -6.235 266 HB2 HIS 54 HB2 HIS 54 3.182 13.792 -3.975 267 HB3 HIS 54 HB3 HIS 54 4.487 14.737 -3.262 268 HD2 HIS 54 HD2 HIS 54 4.183 17.343 -3.038 269 HE1 HIS 54 HE1 HIS 54 0.346 17.693 -4.871 270 HE2 HIS 54 HE2 HIS 54 2.147 18.931 -3.560 271 H TYR 55 H TYR 55 6.905 15.101 -4.382 272 HA TYR 55 HA TYR 55 7.141 17.805 -5.306 273 HB2 TYR 55 HB2 TYR 55 9.367 15.914 -4.561 274 HB3 TYR 55 HB3 TYR 55 9.487 17.666 -4.663 275 HD1 TYR 55 HD2 TYR 55 7.424 18.874 -3.220 276 HD2 TYR 55 HD1 TYR 55 9.363 15.133 -2.377 277 HE1 TYR 55 HE2 TYR 55 6.654 19.010 -0.854 278 HE2 TYR 55 HE1 TYR 55 8.663 15.286 -0.020 279 HH TYR 55 HH TYR 55 7.454 16.499 1.567 280 H LEU 56 H LEU 56 7.892 14.753 -7.015 281 HA LEU 56 HA LEU 56 9.413 16.050 -9.144 282 HB2 LEU 56 HB2 LEU 56 7.640 13.593 -9.374 283 HB3 LEU 56 HB3 LEU 56 8.859 14.122 -10.516 284 HG LEU 56 HG LEU 56 9.448 13.179 -7.695 285 HD11 LEU 56 HD11 LEU 56 10.094 11.095 -8.647 286 HD12 LEU 56 HD12 LEU 56 8.481 11.440 -9.270 287 HD13 LEU 56 HD13 LEU 56 9.887 11.707 -10.317 288 HD21 LEU 56 HD21 LEU 56 11.253 13.809 -10.042 289 HD22 LEU 56 HD22 LEU 56 11.197 14.661 -8.485 290 HD23 LEU 56 HD23 LEU 56 11.783 12.991 -8.550 291 H GLY 57 H GLY 57 5.933 15.211 -8.725 292 HA2 GLY 57 HA2 GLY 57 4.952 16.328 -11.121 293 HA3 GLY 57 HA3 GLY 57 4.053 16.192 -9.600 294 H GLN 58 H GLN 58 5.260 17.965 -7.897 295 HA GLN 58 HA GLN 58 4.509 20.513 -8.968 296 HB2 GLN 58 HB2 GLN 58 4.598 21.297 -6.895 297 HB3 GLN 58 HB3 GLN 58 4.656 19.593 -6.471 298 HG2 GLN 58 HG2 GLN 58 7.199 19.827 -6.349 299 HG3 GLN 58 HG3 GLN 58 7.014 21.543 -6.651 300 HE21 GLN 58 HE22 GLN 58 7.833 22.223 -4.560 301 HE22 GLN 58 HE21 GLN 58 7.068 21.758 -3.060 302 H TYR 59 H TYR 59 7.741 18.973 -8.685 303 HA TYR 59 HA TYR 59 9.308 21.229 -9.338 304 HB2 TYR 59 HB2 TYR 59 10.262 19.110 -8.536 305 HB3 TYR 59 HB3 TYR 59 9.745 18.287 -9.977 306 HD1 TYR 59 HD2 TYR 59 10.822 18.712 -12.153 307 HD2 TYR 59 HD1 TYR 59 12.213 20.645 -8.553 308 HE1 TYR 59 HE2 TYR 59 13.058 19.037 -13.198 309 HE2 TYR 59 HE1 TYR 59 14.450 20.930 -9.591 310 HH TYR 59 HH TYR 59 15.272 19.617 -12.776 311 H ILE 60 H ILE 60 7.882 18.673 -11.474 312 HA ILE 60 HA ILE 60 8.711 19.806 -13.971 313 HB ILE 60 HB ILE 60 6.360 18.042 -13.193 314 HG12 ILE 60 HG12 ILE 60 8.849 17.092 -14.657 315 HG13 ILE 60 HG13 ILE 60 8.885 17.259 -12.907 316 HG21 ILE 60 HG21 ILE 60 7.371 18.850 -15.937 317 HG22 ILE 60 HG22 ILE 60 6.453 17.345 -15.670 318 HG23 ILE 60 HG23 ILE 60 5.715 18.895 -15.279 319 HD11 ILE 60 HD11 ILE 60 6.811 15.846 -12.747 320 HD12 ILE 60 HD12 ILE 60 6.965 15.505 -14.478 321 HD13 ILE 60 HD13 ILE 60 8.254 15.010 -13.356 322 H MET 61 H MET 61 5.714 20.243 -12.068 323 HA MET 61 HA MET 61 4.355 21.981 -13.817 324 HB2 MET 61 HB2 MET 61 3.471 20.733 -11.842 325 HB3 MET 61 HB3 MET 61 4.252 21.913 -10.784 326 HG2 MET 61 HG2 MET 61 1.931 22.496 -11.019 327 HG3 MET 61 HG3 MET 61 2.895 23.718 -11.838 328 HE1 MET 61 HE1 MET 61 1.021 24.744 -13.221 329 HE2 MET 61 HE2 MET 61 2.487 24.482 -14.197 330 HE3 MET 61 HE3 MET 61 0.884 24.145 -14.889 331 H VAL 62 H VAL 62 6.723 22.865 -11.217 332 HA VAL 62 HA VAL 62 6.535 25.704 -11.893 333 HB VAL 62 HB VAL 62 7.010 24.903 -9.625 334 HG11 VAL 62 HG11 VAL 62 8.658 23.146 -10.004 335 HG12 VAL 62 HG12 VAL 62 9.850 24.340 -10.566 336 HG13 VAL 62 HG13 VAL 62 9.264 24.360 -8.893 337 HG21 VAL 62 HG21 VAL 62 9.169 26.716 -10.750 338 HG22 VAL 62 HG22 VAL 62 7.513 27.225 -10.325 339 HG23 VAL 62 HG23 VAL 62 8.616 26.637 -9.063 340 H LYS 63 H LYS 63 8.927 23.160 -12.583 341 HA LYS 63 HA LYS 63 10.655 24.820 -14.202 342 HB2 LYS 63 HB2 LYS 63 10.357 21.800 -14.000 343 HB3 LYS 63 HB3 LYS 63 11.656 22.621 -14.864 344 HG2 LYS 63 HG2 LYS 63 11.185 22.778 -11.878 345 HG3 LYS 63 HG3 LYS 63 12.431 21.876 -12.738 346 HD2 LYS 63 HD2 LYS 63 13.262 24.161 -13.617 347 HD3 LYS 63 HD3 LYS 63 12.151 24.875 -12.435 348 HE2 LYS 63 HE2 LYS 63 14.057 24.773 -11.152 349 HE3 LYS 63 HE3 LYS 63 13.282 23.241 -10.719 350 HZ1 LYS 63 HZ1 LYS 63 14.801 22.122 -12.322 351 HZ2 LYS 63 HZ2 LYS 63 15.433 23.560 -12.786 352 HZ3 LYS 63 HZ3 LYS 63 15.692 23.004 -11.279 353 H GLN 64 H GLN 64 7.627 23.530 -15.019 354 HA GLN 64 HA GLN 64 6.537 22.879 -16.747 355 HB2 GLN 64 HB2 GLN 64 6.248 24.395 -18.624 356 HB3 GLN 64 HB3 GLN 64 6.102 25.145 -17.044 357 HG2 GLN 64 HG2 GLN 64 8.846 25.319 -17.871 358 HG3 GLN 64 HG3 GLN 64 7.860 25.838 -19.223 359 HE21 GLN 64 HE22 GLN 64 8.096 26.308 -15.600 360 HE22 GLN 64 HE21 GLN 64 7.631 27.973 -15.657 361 H LEU 65 H LEU 65 7.907 21.017 -16.610 362 HA LEU 65 HA LEU 65 9.554 20.607 -19.021 363 HB2 LEU 65 HB2 LEU 65 9.432 18.867 -16.517 364 HB3 LEU 65 HB3 LEU 65 10.409 18.560 -17.924 365 HG LEU 65 HG LEU 65 10.747 20.822 -15.950 366 HD11 LEU 65 HD11 LEU 65 12.552 18.489 -16.589 367 HD12 LEU 65 HD12 LEU 65 12.822 19.763 -15.389 368 HD13 LEU 65 HD13 LEU 65 11.483 18.620 -15.177 369 HD21 LEU 65 HD21 LEU 65 12.836 21.368 -17.196 370 HD22 LEU 65 HD22 LEU 65 12.364 20.213 -18.463 371 HD23 LEU 65 HD23 LEU 65 11.394 21.674 -18.167 372 H TYR 66 H TYR 66 6.768 20.899 -19.333 373 HA TYR 66 HA TYR 66 6.088 18.184 -20.229 374 HB2 TYR 66 HB2 TYR 66 3.715 18.476 -19.601 375 HB3 TYR 66 HB3 TYR 66 4.815 18.341 -18.242 376 HD1 TYR 66 HD1 TYR 66 5.387 20.258 -16.902 377 HD2 TYR 66 HD2 TYR 66 2.412 20.552 -19.981 378 HE1 TYR 66 HE1 TYR 66 4.591 22.463 -15.937 379 HE2 TYR 66 HE2 TYR 66 1.771 22.812 -19.164 380 HH TYR 66 HH TYR 66 2.098 24.437 -17.578 381 H ASP 67 H ASP 67 4.339 18.100 -21.915 382 HA ASP 67 HA ASP 67 4.910 20.119 -23.958 383 HB2 ASP 67 HB2 ASP 67 4.610 17.583 -24.293 384 HB3 ASP 67 HB3 ASP 67 2.877 17.911 -24.163 385 H GLN 68 H GLN 68 3.723 21.811 -24.474 386 HA GLN 68 HA GLN 68 1.465 22.934 -23.327 387 HB2 GLN 68 HB2 GLN 68 1.770 23.113 -26.320 388 HB3 GLN 68 HB3 GLN 68 1.398 24.363 -25.167 389 HG2 GLN 68 HG2 GLN 68 3.508 25.064 -25.248 390 HG3 GLN 68 HG3 GLN 68 4.119 23.539 -24.651 391 HE21 GLN 68 HE22 GLN 68 3.980 21.660 -26.708 392 HE22 GLN 68 HE21 GLN 68 4.800 22.350 -28.090 393 H GLN 69 H GLN 69 1.604 20.556 -25.967 394 HA GLN 69 HA GLN 69 -1.343 20.501 -26.327 395 HB2 GLN 69 HB2 GLN 69 1.026 19.330 -27.793 396 HB3 GLN 69 HB3 GLN 69 -0.562 18.613 -28.006 397 HG2 GLN 69 HG2 GLN 69 -0.219 20.205 -29.762 398 HG3 GLN 69 HG3 GLN 69 -1.523 20.755 -28.716 399 HE21 GLN 69 HE22 GLN 69 2.030 21.213 -29.288 400 HE22 GLN 69 HE21 GLN 69 1.999 22.915 -28.859 401 H GLU 70 H GLU 70 0.954 18.647 -24.498 402 HA GLU 70 HA GLU 70 -1.181 16.797 -23.616 403 HB2 GLU 70 HB2 GLU 70 1.461 15.858 -24.806 404 HB3 GLU 70 HB3 GLU 70 0.513 14.902 -23.664 405 HG2 GLU 70 HG2 GLU 70 -1.479 15.202 -25.258 406 HG3 GLU 70 HG3 GLU 70 -0.305 15.779 -26.447 407 H GLN 71 H GLN 71 -1.193 18.068 -21.764 408 HA GLN 71 HA GLN 71 1.070 18.948 -20.333 409 HB2 GLN 71 HB2 GLN 71 -1.725 18.269 -19.413 410 HB3 GLN 71 HB3 GLN 71 -0.607 19.285 -18.488 411 HG2 GLN 71 HG2 GLN 71 -1.805 19.959 -21.233 412 HG3 GLN 71 HG3 GLN 71 -2.351 20.531 -19.666 413 HE21 GLN 71 HE22 GLN 71 0.600 20.730 -21.808 414 HE22 GLN 71 HE21 GLN 71 0.925 22.352 -21.226 415 H HIS 72 H HIS 72 -0.642 15.875 -20.087 416 HA HIS 72 HA HIS 72 0.744 14.838 -17.776 417 HB2 HIS 72 HB2 HIS 72 -0.522 12.764 -18.572 418 HB3 HIS 72 HB3 HIS 72 -1.518 14.180 -18.284 419 HD2 HIS 72 HD2 HIS 72 -0.034 12.041 -21.103 420 HE1 HIS 72 HE1 HIS 72 -2.693 14.832 -22.963 421 HE2 HIS 72 HE2 HIS 72 -1.154 12.826 -23.395 422 H MET 73 H MET 73 1.899 15.362 -20.935 423 HA MET 73 HA MET 73 3.786 13.059 -20.845 424 HB2 MET 73 HB2 MET 73 2.555 13.365 -22.960 425 HB3 MET 73 HB3 MET 73 3.170 15.020 -23.085 426 HG2 MET 73 HG2 MET 73 4.455 13.558 -24.508 427 HG3 MET 73 HG3 MET 73 5.469 14.195 -23.217 428 HE1 MET 73 HE1 MET 73 6.431 11.785 -25.042 429 HE2 MET 73 HE2 MET 73 7.309 12.589 -23.722 430 HE3 MET 73 HE3 MET 73 7.191 10.812 -23.761 431 H VAL 74 H VAL 74 5.829 13.387 -20.225 432 HA VAL 74 HA VAL 74 6.613 16.154 -19.396 433 HB VAL 74 HB VAL 74 7.568 13.475 -18.309 434 HG11 VAL 74 HG11 VAL 74 9.105 15.384 -17.923 435 HG12 VAL 74 HG12 VAL 74 7.776 16.291 -17.176 436 HG13 VAL 74 HG13 VAL 74 8.376 14.824 -16.421 437 HG21 VAL 74 HG21 VAL 74 5.419 15.359 -17.227 438 HG22 VAL 74 HG22 VAL 74 5.176 13.686 -17.781 439 HG23 VAL 74 HG23 VAL 74 6.129 13.994 -16.334 440 H TYR 75 H TYR 75 8.558 16.942 -19.987 441 HA TYR 75 HA TYR 75 10.467 15.442 -21.720 442 HB2 TYR 75 HB2 TYR 75 9.110 18.098 -22.227 443 HB3 TYR 75 HB3 TYR 75 10.659 17.680 -22.957 444 HD1 TYR 75 HD2 TYR 75 10.870 15.375 -24.098 445 HD2 TYR 75 HD1 TYR 75 7.110 17.366 -23.378 446 HE1 TYR 75 HE2 TYR 75 9.793 13.942 -25.797 447 HE2 TYR 75 HE1 TYR 75 6.043 15.971 -25.147 448 HH TYR 75 HH TYR 75 6.336 14.319 -26.730 449 H CYS 76 H CYS 76 11.962 15.216 -20.105 450 HA CYS 76 HA CYS 76 12.971 17.530 -18.549 451 HB2 CYS 76 HB2 CYS 76 13.271 14.524 -18.164 452 HB3 CYS 76 HB3 CYS 76 14.010 15.758 -17.127 453 HG CYS 76 HG CYS 76 11.921 14.714 -15.916 454 H GLY 77 H GLY 77 13.796 16.676 -21.483 455 HA2 GLY 77 HA2 GLY 77 16.441 15.752 -21.488 456 HA3 GLY 77 HA3 GLY 77 15.760 16.816 -22.718 457 H GLY 78 H GLY 78 18.282 16.518 -20.684 458 HA2 GLY 78 HA2 GLY 78 20.026 17.972 -20.225 459 HA3 GLY 78 HA3 GLY 78 19.059 19.339 -20.770 460 H ASP 79 H ASP 79 17.166 17.737 -18.472 461 HA ASP 79 HA ASP 79 17.914 19.668 -16.354 462 HB2 ASP 79 HB2 ASP 79 15.516 19.235 -17.160 463 HB3 ASP 79 HB3 ASP 79 15.618 17.688 -16.332 464 H LEU 80 H LEU 80 18.073 18.946 -14.053 465 HA LEU 80 HA LEU 80 19.823 16.726 -13.594 466 HB2 LEU 80 HB2 LEU 80 19.329 18.799 -12.080 467 HB3 LEU 80 HB3 LEU 80 17.861 17.898 -11.598 468 HG LEU 80 HG LEU 80 19.163 16.128 -10.614 469 HD11 LEU 80 HD11 LEU 80 21.655 16.283 -10.411 470 HD12 LEU 80 HD12 LEU 80 21.113 15.948 -12.050 471 HD13 LEU 80 HD13 LEU 80 21.642 17.590 -11.617 472 HD21 LEU 80 HD21 LEU 80 18.774 18.197 -9.280 473 HD22 LEU 80 HD22 LEU 80 20.277 17.363 -8.826 474 HD23 LEU 80 HD23 LEU 80 20.339 18.830 -9.827 475 H LEU 81 H LEU 81 16.260 17.170 -13.102 476 HA LEU 81 HA LEU 81 15.768 14.578 -12.276 477 HB2 LEU 81 HB2 LEU 81 14.125 16.352 -12.129 478 HB3 LEU 81 HB3 LEU 81 14.045 16.508 -13.878 479 HG LEU 81 HG LEU 81 12.909 14.398 -14.123 480 HD11 LEU 81 HD11 LEU 81 12.175 13.052 -12.160 481 HD12 LEU 81 HD12 LEU 81 13.918 12.999 -12.384 482 HD13 LEU 81 HD13 LEU 81 13.238 14.032 -11.120 483 HD21 LEU 81 HD21 LEU 81 11.563 16.381 -13.546 484 HD22 LEU 81 HD22 LEU 81 10.828 14.894 -12.925 485 HD23 LEU 81 HD23 LEU 81 11.702 15.981 -11.819 486 H GLY 82 H GLY 82 16.185 15.737 -15.619 487 HA2 GLY 82 HA2 GLY 82 15.454 13.309 -17.009 488 HA3 GLY 82 HA3 GLY 82 16.468 14.623 -17.622 489 H GLU 83 H GLU 83 18.607 14.558 -15.766 490 HA GLU 83 HA GLU 83 20.159 12.356 -16.742 491 HB2 GLU 83 HB2 GLU 83 21.797 13.676 -16.161 492 HB3 GLU 83 HB3 GLU 83 20.646 14.810 -15.466 493 HG2 GLU 83 HG2 GLU 83 20.919 13.848 -13.262 494 HG3 GLU 83 HG3 GLU 83 21.908 12.533 -13.902 495 H LEU 84 H LEU 84 18.508 12.865 -13.605 496 HA LEU 84 HA LEU 84 19.267 10.421 -12.404 497 HB2 LEU 84 HB2 LEU 84 18.296 12.239 -11.142 498 HB3 LEU 84 HB3 LEU 84 16.841 12.234 -12.136 499 HG LEU 84 HG LEU 84 16.192 10.024 -11.255 500 HD11 LEU 84 HD11 LEU 84 18.414 9.089 -10.724 501 HD12 LEU 84 HD12 LEU 84 18.667 10.347 -9.504 502 HD13 LEU 84 HD13 LEU 84 17.392 9.110 -9.284 503 HD21 LEU 84 HD21 LEU 84 15.590 10.787 -9.033 504 HD22 LEU 84 HD22 LEU 84 16.864 12.025 -9.082 505 HD23 LEU 84 HD23 LEU 84 15.454 12.115 -10.182 506 H LEU 85 H LEU 85 16.439 11.190 -14.427 507 HA LEU 85 HA LEU 85 15.291 8.544 -14.492 508 HB2 LEU 85 HB2 LEU 85 15.082 11.056 -16.193 509 HB3 LEU 85 HB3 LEU 85 14.294 9.602 -16.724 510 HG LEU 85 HG LEU 85 13.797 10.584 -13.925 511 HD11 LEU 85 HD11 LEU 85 13.317 12.460 -15.459 512 HD12 LEU 85 HD12 LEU 85 12.323 11.387 -16.460 513 HD13 LEU 85 HD13 LEU 85 11.828 11.773 -14.787 514 HD21 LEU 85 HD21 LEU 85 11.674 9.395 -14.208 515 HD22 LEU 85 HD22 LEU 85 12.093 8.985 -15.882 516 HD23 LEU 85 HD23 LEU 85 13.022 8.290 -14.535 517 H GLY 86 H GLY 86 17.902 10.035 -16.368 518 HA2 GLY 86 HA2 GLY 86 19.505 9.057 -17.738 519 HA3 GLY 86 HA3 GLY 86 18.750 7.470 -17.535 520 H ARG 87 H ARG 87 16.676 10.054 -18.417 521 HA ARG 87 HA ARG 87 16.582 9.646 -21.316 522 HB2 ARG 87 HB2 ARG 87 14.295 8.717 -21.327 523 HB3 ARG 87 HB3 ARG 87 15.472 7.613 -20.612 524 HG2 ARG 87 HG2 ARG 87 14.769 8.369 -18.354 525 HG3 ARG 87 HG3 ARG 87 13.481 9.342 -19.078 526 HD2 ARG 87 HD2 ARG 87 13.824 6.322 -19.187 527 HD3 ARG 87 HD3 ARG 87 12.713 7.239 -18.150 528 HE ARG 87 HE ARG 87 11.751 8.137 -20.382 529 HH11 ARG 87 HH11 ARG 87 12.831 4.800 -20.103 530 HH12 ARG 87 HH12 ARG 87 11.777 4.288 -21.392 531 HH21 ARG 87 HH21 ARG 87 10.535 7.459 -21.974 532 HH22 ARG 87 HH22 ARG 87 10.480 5.773 -22.438 533 H GLN 88 H GLN 88 15.469 11.124 -22.341 534 HA GLN 88 HA GLN 88 14.961 13.661 -20.985 535 HB2 GLN 88 HB2 GLN 88 14.575 14.501 -23.213 536 HB3 GLN 88 HB3 GLN 88 16.046 13.517 -23.176 537 HG2 GLN 88 HG2 GLN 88 14.805 11.645 -24.259 538 HG3 GLN 88 HG3 GLN 88 13.340 12.632 -24.284 539 HE21 GLN 88 HE22 GLN 88 13.368 14.647 -25.651 540 HE22 GLN 88 HE21 GLN 88 14.462 14.679 -27.026 541 H SER 89 H SER 89 12.895 11.011 -21.704 542 HA SER 89 HA SER 89 10.577 12.651 -20.837 543 HB2 SER 89 HB2 SER 89 9.243 12.141 -22.866 544 HB3 SER 89 HB3 SER 89 10.675 13.107 -23.240 545 HG SER 89 HG SER 89 10.389 11.342 -24.724 546 H PHE 90 H PHE 90 8.685 11.719 -20.379 547 HA PHE 90 HA PHE 90 8.097 8.890 -20.502 548 HB2 PHE 90 HB2 PHE 90 7.966 8.455 -18.137 549 HB3 PHE 90 HB3 PHE 90 9.611 8.897 -18.541 550 HD1 PHE 90 HD2 PHE 90 10.411 11.279 -18.052 551 HD2 PHE 90 HD1 PHE 90 6.734 9.678 -16.466 552 HE1 PHE 90 HE2 PHE 90 10.381 13.055 -16.364 553 HE2 PHE 90 HE1 PHE 90 6.715 11.443 -14.731 554 HZ PHE 90 HZ PHE 90 8.552 13.133 -14.628 555 H SER 91 H SER 91 5.871 8.587 -19.319 556 HA SER 91 HA SER 91 4.244 11.110 -19.510 557 HB2 SER 91 HB2 SER 91 3.916 9.753 -21.513 558 HB3 SER 91 HB3 SER 91 3.519 8.341 -20.518 559 HG SER 91 HG SER 91 1.712 9.716 -21.354 560 H VAL 92 H VAL 92 2.572 11.331 -18.138 561 HA VAL 92 HA VAL 92 2.408 10.010 -15.576 562 HB VAL 92 HB VAL 92 0.619 11.704 -17.268 563 HG11 VAL 92 HG11 VAL 92 -0.864 12.218 -15.491 564 HG12 VAL 92 HG12 VAL 92 -0.956 10.515 -15.887 565 HG13 VAL 92 HG13 VAL 92 -0.068 11.028 -14.419 566 HG21 VAL 92 HG21 VAL 92 2.588 12.863 -16.398 567 HG22 VAL 92 HG22 VAL 92 1.119 13.502 -15.655 568 HG23 VAL 92 HG23 VAL 92 2.161 12.382 -14.754 569 H LYS 93 H LYS 93 1.195 9.230 -18.761 570 HA LYS 93 HA LYS 93 -0.748 7.190 -17.878 571 HB2 LYS 93 HB2 LYS 93 0.238 7.771 -20.682 572 HB3 LYS 93 HB3 LYS 93 -1.232 6.930 -20.212 573 HG2 LYS 93 HG2 LYS 93 -0.662 9.906 -19.830 574 HG3 LYS 93 HG3 LYS 93 -1.684 9.168 -21.055 575 HD2 LYS 93 HD2 LYS 93 -3.301 8.435 -19.387 576 HD3 LYS 93 HD3 LYS 93 -2.238 8.938 -18.072 577 HE2 LYS 93 HE2 LYS 93 -3.979 10.578 -18.317 578 HE3 LYS 93 HE3 LYS 93 -2.425 11.295 -18.735 579 HZ1 LYS 93 HZ1 LYS 93 -3.034 11.057 -21.106 580 HZ2 LYS 93 HZ2 LYS 93 -4.460 10.355 -20.703 581 HZ3 LYS 93 HZ3 LYS 93 -4.172 11.914 -20.321 582 H ASP 94 H ASP 94 2.603 7.251 -18.326 583 HA ASP 94 HA ASP 94 2.846 4.324 -18.167 584 HB2 ASP 94 HB2 ASP 94 2.887 4.783 -20.594 585 HB3 ASP 94 HB3 ASP 94 4.188 5.950 -20.365 586 HA PRO 95 HA PRO 95 5.471 7.189 -15.597 587 HB2 PRO 95 HB2 PRO 95 4.660 6.602 -13.106 588 HB3 PRO 95 HB3 PRO 95 3.572 7.426 -14.262 589 HG2 PRO 95 HG2 PRO 95 3.663 4.441 -13.701 590 HG3 PRO 95 HG3 PRO 95 2.248 5.543 -13.577 591 HD2 PRO 95 HD2 PRO 95 2.758 4.142 -15.856 592 HD3 PRO 95 HD3 PRO 95 2.126 5.815 -15.909 593 H SER 96 H SER 96 5.730 3.863 -16.003 594 HA SER 96 HA SER 96 7.034 2.715 -13.975 595 HB2 SER 96 HB2 SER 96 7.785 2.388 -16.898 596 HB3 SER 96 HB3 SER 96 8.118 1.228 -15.595 597 HG SER 96 HG SER 96 6.173 0.733 -16.757 598 HA PRO 97 HA PRO 97 11.482 3.932 -15.084 599 HB2 PRO 97 HB2 PRO 97 12.112 6.323 -16.248 600 HB3 PRO 97 HB3 PRO 97 11.787 4.819 -17.165 601 HG2 PRO 97 HG2 PRO 97 9.846 7.072 -16.544 602 HG3 PRO 97 HG3 PRO 97 10.173 6.302 -18.133 603 HD2 PRO 97 HD2 PRO 97 8.081 5.554 -16.663 604 HD3 PRO 97 HD3 PRO 97 9.049 4.315 -17.503 605 H LEU 98 H LEU 98 9.180 6.358 -13.861 606 HA LEU 98 HA LEU 98 11.098 7.765 -12.258 607 HB2 LEU 98 HB2 LEU 98 9.361 9.007 -11.537 608 HB3 LEU 98 HB3 LEU 98 8.693 8.379 -13.014 609 HG LEU 98 HG LEU 98 7.554 6.589 -11.493 610 HD11 LEU 98 HD11 LEU 98 8.759 7.233 -9.351 611 HD12 LEU 98 HD12 LEU 98 7.997 8.825 -9.454 612 HD13 LEU 98 HD13 LEU 98 7.011 7.358 -9.239 613 HD21 LEU 98 HD21 LEU 98 6.414 8.375 -12.745 614 HD22 LEU 98 HD22 LEU 98 5.652 8.073 -11.183 615 HD23 LEU 98 HD23 LEU 98 6.692 9.504 -11.403 616 H TYR 99 H TYR 99 8.921 4.992 -11.600 617 HA TYR 99 HA TYR 99 9.776 4.584 -8.918 618 HB2 TYR 99 HB2 TYR 99 8.593 2.640 -10.952 619 HB3 TYR 99 HB3 TYR 99 8.759 2.325 -9.235 620 HD1 TYR 99 HD1 TYR 99 7.365 3.523 -7.558 621 HD2 TYR 99 HD2 TYR 99 6.849 4.180 -11.794 622 HE1 TYR 99 HE1 TYR 99 5.122 4.505 -7.137 623 HE2 TYR 99 HE2 TYR 99 4.653 5.229 -11.359 624 HH TYR 99 HH TYR 99 3.204 5.367 -8.079 625 H ASP 100 H ASP 100 11.038 3.296 -12.037 626 HA ASP 100 HA ASP 100 13.013 1.613 -10.879 627 HB2 ASP 100 HB2 ASP 100 12.206 1.790 -13.303 628 HB3 ASP 100 HB3 ASP 100 13.320 3.123 -13.463 629 H MET 101 H MET 101 13.166 5.047 -11.765 630 HA MET 101 HA MET 101 15.917 5.290 -10.923 631 HB2 MET 101 HB2 MET 101 15.947 7.555 -11.355 632 HB3 MET 101 HB3 MET 101 15.115 6.715 -12.657 633 HG2 MET 101 HG2 MET 101 13.946 8.723 -12.295 634 HG3 MET 101 HG3 MET 101 12.960 7.423 -11.643 635 HE1 MET 101 HE1 MET 101 12.015 10.377 -9.312 636 HE2 MET 101 HE2 MET 101 12.087 10.177 -11.078 637 HE3 MET 101 HE3 MET 101 11.367 8.897 -10.057 638 H LEU 102 H LEU 102 12.995 5.319 -9.049 639 HA LEU 102 HA LEU 102 14.335 6.521 -6.703 640 HB2 LEU 102 HB2 LEU 102 11.556 5.341 -7.123 641 HB3 LEU 102 HB3 LEU 102 12.142 5.982 -5.593 642 HG LEU 102 HG LEU 102 11.781 7.597 -8.143 643 HD11 LEU 102 HD11 LEU 102 9.885 8.611 -6.961 644 HD12 LEU 102 HD12 LEU 102 9.657 6.860 -7.097 645 HD13 LEU 102 HD13 LEU 102 10.179 7.563 -5.552 646 HD21 LEU 102 HD21 LEU 102 12.075 9.568 -6.636 647 HD22 LEU 102 HD22 LEU 102 12.553 8.467 -5.323 648 HD23 LEU 102 HD23 LEU 102 13.543 8.607 -6.802 649 H ARG 103 H ARG 103 12.963 3.319 -7.652 650 HA ARG 103 HA ARG 103 13.166 2.080 -5.267 651 HB2 ARG 103 HB2 ARG 103 12.845 0.005 -6.449 652 HB3 ARG 103 HB3 ARG 103 11.992 1.332 -7.240 653 HG2 ARG 103 HG2 ARG 103 12.742 0.241 -9.045 654 HG3 ARG 103 HG3 ARG 103 14.015 1.439 -8.833 655 HD2 ARG 103 HD2 ARG 103 15.448 -0.310 -7.787 656 HD3 ARG 103 HD3 ARG 103 14.135 -1.484 -8.017 657 HE ARG 103 HE ARG 103 14.668 -0.245 -10.536 658 HH11 ARG 103 HH11 ARG 103 16.320 -2.547 -8.446 659 HH12 ARG 103 HH12 ARG 103 17.149 -3.259 -9.805 660 HH21 ARG 103 HH21 ARG 103 15.636 -1.131 -12.094 661 HH22 ARG 103 HH22 ARG 103 16.776 -2.467 -11.891 662 H LYS 104 H LYS 104 15.914 2.318 -7.388 663 HA LYS 104 HA LYS 104 17.633 0.664 -5.662 664 HB2 LYS 104 HB2 LYS 104 19.330 1.287 -7.427 665 HB3 LYS 104 HB3 LYS 104 18.006 0.247 -7.900 666 HG2 LYS 104 HG2 LYS 104 18.754 1.994 -9.565 667 HG3 LYS 104 HG3 LYS 104 17.025 1.911 -9.248 668 HD2 LYS 104 HD2 LYS 104 16.986 3.921 -8.028 669 HD3 LYS 104 HD3 LYS 104 18.753 3.864 -7.719 670 HE2 LYS 104 HE2 LYS 104 17.513 4.416 -10.397 671 HE3 LYS 104 HE3 LYS 104 17.899 5.634 -9.137 672 HZ1 LYS 104 HZ1 LYS 104 20.205 5.085 -9.298 673 HZ2 LYS 104 HZ2 LYS 104 19.959 3.828 -10.340 674 HZ3 LYS 104 HZ3 LYS 104 19.710 5.367 -10.824 675 H ASN 105 H ASN 105 16.899 4.023 -5.736 676 HA ASN 105 HA ASN 105 19.498 4.750 -4.337 677 HB2 ASN 105 HB2 ASN 105 17.680 6.249 -6.238 678 HB3 ASN 105 HB3 ASN 105 18.484 7.146 -4.958 679 HD21 ASN 105 HD22 ASN 105 20.957 6.294 -4.660 680 HD22 ASN 105 HD21 ASN 105 21.809 6.135 -6.178 681 H LEU 106 H LEU 106 15.988 5.401 -4.443 682 HA LEU 106 HA LEU 106 15.908 6.307 -1.654 683 HB2 LEU 106 HB2 LEU 106 14.542 7.080 -3.726 684 HB3 LEU 106 HB3 LEU 106 13.707 5.536 -3.603 685 HG LEU 106 HG LEU 106 12.434 7.193 -2.711 686 HD11 LEU 106 HD11 LEU 106 12.354 5.055 -1.467 687 HD12 LEU 106 HD12 LEU 106 13.404 5.804 -0.222 688 HD13 LEU 106 HD13 LEU 106 11.803 6.477 -0.561 689 HD21 LEU 106 HD21 LEU 106 14.145 8.868 -2.137 690 HD22 LEU 106 HD22 LEU 106 12.984 8.646 -0.812 691 HD23 LEU 106 HD23 LEU 106 14.593 7.916 -0.693 692 H VAL 107 H VAL 107 15.728 4.942 -0.037 693 HA VAL 107 HA VAL 107 14.893 2.123 -0.539 694 HB VAL 107 HB VAL 107 17.182 2.906 1.304 695 HG11 VAL 107 HG11 VAL 107 17.568 0.456 1.405 696 HG12 VAL 107 HG12 VAL 107 15.975 0.855 2.046 697 HG13 VAL 107 HG13 VAL 107 16.123 0.176 0.411 698 HG21 VAL 107 HG21 VAL 107 17.205 1.562 -1.436 699 HG22 VAL 107 HG22 VAL 107 17.897 3.147 -1.023 700 HG23 VAL 107 HG23 VAL 107 18.601 1.684 -0.341 701 H THR 108 H THR 108 12.816 2.756 0.096 702 HA THR 108 HA THR 108 12.386 3.709 2.886 703 HB THR 108 HB THR 108 11.392 4.951 1.048 704 HG1 THR 108 HG1 THR 108 9.382 5.111 2.123 705 HG21 THR 108 HG21 THR 108 9.444 2.631 0.756 706 HG22 THR 108 HG22 THR 108 9.368 4.206 -0.052 707 HG23 THR 108 HG23 THR 108 10.669 3.077 -0.453 708 H LEU 109 H LEU 109 9.965 2.768 3.512 709 HA LEU 109 HA LEU 109 10.539 0.168 4.613 710 HB2 LEU 109 HB2 LEU 109 9.253 1.942 5.685 711 HB3 LEU 109 HB3 LEU 109 7.940 1.692 4.521 712 HG LEU 109 HG LEU 109 7.506 -0.542 5.395 713 HD11 LEU 109 HD11 LEU 109 9.742 -1.361 6.011 714 HD12 LEU 109 HD12 LEU 109 9.900 -0.086 7.242 715 HD13 LEU 109 HD13 LEU 109 8.702 -1.385 7.431 716 HD21 LEU 109 HD21 LEU 109 6.566 1.435 6.542 717 HD22 LEU 109 HD22 LEU 109 6.837 0.089 7.670 718 HD23 LEU 109 HD23 LEU 109 7.981 1.456 7.625 719 H ALA 110 H ALA 110 8.668 1.167 1.778 720 HA ALA 110 HA ALA 110 7.167 -1.225 1.410 721 HB1 ALA 110 HB1 ALA 110 6.682 -0.284 -0.817 722 HB2 ALA 110 HB2 ALA 110 6.533 0.951 0.447 723 HB3 ALA 110 HB3 ALA 110 7.970 0.919 -0.604 724 H THR 111 H THR 111 7.479 -3.034 0.155 725 HA THR 111 HA THR 111 10.053 -3.492 -1.256 726 HB THR 111 HB THR 111 10.336 -4.050 1.123 727 HG1 THR 111 HG1 THR 111 11.271 -6.051 0.662 728 HG21 THR 111 HG21 THR 111 8.334 -6.306 0.657 729 HG22 THR 111 HG22 THR 111 9.334 -6.046 2.100 730 HG23 THR 111 HG23 THR 111 8.068 -4.884 1.691 731 HD1 48M 200 HD1 48M 200 2.703 14.782 -12.696 732 HD2 48M 200 HD2 48M 200 3.293 12.679 -8.979 733 HD3 48M 200 HD3 48M 200 0.058 10.251 -9.450 734 HD4 48M 200 HD4 48M 200 2.294 12.030 -12.638 735 HD5 48M 200 HD5 48M 200 -2.199 13.352 -13.553 736 HE1 48M 200 HE1 48M 200 4.992 14.178 -13.393 737 HE2 48M 200 HE2 48M 200 5.571 12.067 -9.702 738 HE3 48M 200 HE3 48M 200 1.177 8.086 -9.892 739 HE5 48M 200 HE5 48M 200 -3.255 14.275 -15.550 740 HE6 48M 200 HE6 48M 200 -0.463 17.523 -15.565 741 HZ2 48M 200 HZ2 48M 200 2.933 7.926 -11.644 742 HM21 48M 200 HM21 48M 200 3.300 17.015 -15.945 743 HM22 48M 200 HM22 48M 200 3.107 15.650 -14.835 744 HM23 48M 200 HM23 48M 200 1.835 16.032 -16.002 745 HM31 48M 200 HM31 48M 200 3.673 18.622 -13.904 746 HM32 48M 200 HM32 48M 200 2.480 18.618 -12.601 747 HM33 48M 200 HM33 48M 200 3.516 17.205 -12.850 748 HN1 48M 200 HN1 48M 200 -3.261 19.407 -12.002 749 H21 48M 200 H21 48M 200 -3.778 17.135 -11.441 750 H22 48M 200 H22 48M 200 -2.557 16.989 -12.717 751 H31 48M 200 H31 48M 200 -2.135 16.824 -9.707 752 H32 48M 200 H32 48M 200 -1.920 15.529 -10.863 753 H41 48M 200 H41 48M 200 0.609 18.878 -11.232 754 H42 48M 200 H42 48M 200 -0.146 18.763 -9.626 755 H7 48M 200 H7 48M 200 -0.208 12.547 -9.824 756 H8 48M 200 H8 48M 200 1.286 14.149 -9.348 757 H9 48M 200 H9 48M 200 1.406 18.228 -14.823 Start of MODEL 17 1 H1 GLN 23 H GLN 23 5.979 16.354 12.904 2 HA GLN 23 HA GLN 23 8.548 16.187 11.587 3 HB2 GLN 23 HB2 GLN 23 9.500 14.387 12.996 4 HB3 GLN 23 HB3 GLN 23 9.408 15.950 13.801 5 HG2 GLN 23 HG2 GLN 23 7.426 15.223 15.082 6 HG3 GLN 23 HG3 GLN 23 7.413 13.677 14.232 7 HE21 GLN 23 HE22 GLN 23 9.311 15.677 16.551 8 HE22 GLN 23 HE21 GLN 23 10.179 14.300 17.219 9 H ILE 24 H ILE 24 8.771 14.452 10.203 10 HA ILE 24 HA ILE 24 6.218 13.248 9.460 11 HB ILE 24 HB ILE 24 8.895 13.685 8.131 12 HG12 ILE 24 HG12 ILE 24 6.128 14.304 7.071 13 HG13 ILE 24 HG13 ILE 24 6.914 15.384 8.235 14 HG21 ILE 24 HG21 ILE 24 6.702 11.841 7.105 15 HG22 ILE 24 HG22 ILE 24 7.975 12.517 6.080 16 HG23 ILE 24 HG23 ILE 24 8.415 11.472 7.435 17 HD11 ILE 24 HD11 ILE 24 7.282 16.250 6.022 18 HD12 ILE 24 HD12 ILE 24 8.832 15.644 6.636 19 HD13 ILE 24 HD13 ILE 24 7.906 14.702 5.440 20 H ASN 25 H ASN 25 9.327 11.931 10.485 21 HA ASN 25 HA ASN 25 9.942 9.925 11.219 22 HB2 ASN 25 HB2 ASN 25 6.991 9.523 11.647 23 HB3 ASN 25 HB3 ASN 25 8.115 8.211 11.865 24 HD21 ASN 25 HD22 ASN 25 8.554 11.627 12.496 25 HD22 ASN 25 HD21 ASN 25 8.862 11.488 14.244 26 H GLN 26 H GLN 26 10.164 10.297 8.625 27 HA GLN 26 HA GLN 26 9.889 7.616 7.362 28 HB2 GLN 26 HB2 GLN 26 9.228 10.160 5.878 29 HB3 GLN 26 HB3 GLN 26 9.316 8.555 5.185 30 HG2 GLN 26 HG2 GLN 26 7.363 9.443 7.280 31 HG3 GLN 26 HG3 GLN 26 7.014 9.181 5.581 32 HE21 GLN 26 HE22 GLN 26 8.589 6.531 5.486 33 HE22 GLN 26 HE21 GLN 26 7.568 5.452 6.420 34 H VAL 27 H VAL 27 11.072 8.008 5.015 35 HA VAL 27 HA VAL 27 13.894 8.210 5.974 36 HB VAL 27 HB VAL 27 12.870 6.503 3.662 37 HG11 VAL 27 HG11 VAL 27 15.447 6.408 5.305 38 HG12 VAL 27 HG12 VAL 27 14.941 5.152 4.164 39 HG13 VAL 27 HG13 VAL 27 15.292 6.756 3.560 40 HG21 VAL 27 HG21 VAL 27 13.003 4.561 5.224 41 HG22 VAL 27 HG22 VAL 27 13.281 5.684 6.573 42 HG23 VAL 27 HG23 VAL 27 11.739 5.690 5.686 43 H ARG 28 H ARG 28 15.607 8.847 4.700 44 HA ARG 28 HA ARG 28 14.935 10.987 2.814 45 HB2 ARG 28 HB2 ARG 28 17.244 11.668 3.034 46 HB3 ARG 28 HB3 ARG 28 16.427 11.531 4.592 47 HG2 ARG 28 HG2 ARG 28 17.624 9.515 5.156 48 HG3 ARG 28 HG3 ARG 28 18.291 9.371 3.525 49 HD2 ARG 28 HD2 ARG 28 19.955 10.209 5.110 50 HD3 ARG 28 HD3 ARG 28 19.647 11.340 3.802 51 HE ARG 28 HE ARG 28 18.649 11.595 6.630 52 HH11 ARG 28 HH11 ARG 28 19.534 13.290 3.635 53 HH12 ARG 28 HH12 ARG 28 19.241 14.845 4.428 54 HH21 ARG 28 HH21 ARG 28 18.375 13.709 7.429 55 HH22 ARG 28 HH22 ARG 28 18.693 15.046 6.318 56 HA PRO 29 HA PRO 29 16.354 8.551 -0.752 57 HB2 PRO 29 HB2 PRO 29 16.052 10.383 -2.689 58 HB3 PRO 29 HB3 PRO 29 14.629 9.733 -1.838 59 HG2 PRO 29 HG2 PRO 29 16.072 12.353 -1.305 60 HG3 PRO 29 HG3 PRO 29 14.314 12.080 -1.507 61 HD2 PRO 29 HD2 PRO 29 15.561 12.178 0.954 62 HD3 PRO 29 HD3 PRO 29 14.101 11.187 0.640 63 H LYS 30 H LYS 30 18.144 8.851 -2.462 64 HA LYS 30 HA LYS 30 20.587 9.807 -1.274 65 HB2 LYS 30 HB2 LYS 30 20.229 7.934 -3.048 66 HB3 LYS 30 HB3 LYS 30 20.261 9.238 -4.242 67 HG2 LYS 30 HG2 LYS 30 22.535 9.905 -3.239 68 HG3 LYS 30 HG3 LYS 30 22.423 8.448 -2.238 69 HD2 LYS 30 HD2 LYS 30 22.477 7.044 -4.258 70 HD3 LYS 30 HD3 LYS 30 22.393 8.494 -5.281 71 HE2 LYS 30 HE2 LYS 30 24.664 7.816 -5.303 72 HE3 LYS 30 HE3 LYS 30 24.576 9.271 -4.311 73 HZ1 LYS 30 HZ1 LYS 30 24.722 6.482 -3.255 74 HZ2 LYS 30 HZ2 LYS 30 25.959 7.537 -3.290 75 HZ3 LYS 30 HZ3 LYS 30 24.682 7.829 -2.324 76 H LEU 31 H LEU 31 22.007 11.457 -2.045 77 HA LEU 31 HA LEU 31 21.021 13.986 -1.968 78 HB2 LEU 31 HB2 LEU 31 23.271 13.277 -1.483 79 HB3 LEU 31 HB3 LEU 31 23.636 12.986 -3.159 80 HG LEU 31 HG LEU 31 24.646 14.999 -2.140 81 HD11 LEU 31 HD11 LEU 31 22.865 15.817 -4.463 82 HD12 LEU 31 HD12 LEU 31 24.440 16.470 -3.990 83 HD13 LEU 31 HD13 LEU 31 24.330 14.820 -4.613 84 HD21 LEU 31 HD21 LEU 31 21.871 16.247 -2.217 85 HD22 LEU 31 HD22 LEU 31 22.706 15.691 -0.748 86 HD23 LEU 31 HD23 LEU 31 23.398 17.005 -1.708 87 HA PRO 32 HA PRO 32 21.069 14.724 -6.742 88 HB2 PRO 32 HB2 PRO 32 20.366 11.948 -7.713 89 HB3 PRO 32 HB3 PRO 32 21.293 13.236 -8.544 90 HG2 PRO 32 HG2 PRO 32 22.600 11.179 -7.383 91 HG3 PRO 32 HG3 PRO 32 23.204 12.854 -7.149 92 HD2 PRO 32 HD2 PRO 32 21.506 11.196 -5.262 93 HD3 PRO 32 HD3 PRO 32 22.965 12.158 -4.927 94 H LEU 33 H LEU 33 18.897 12.182 -5.467 95 HA LEU 33 HA LEU 33 16.446 13.177 -6.706 96 HB2 LEU 33 HB2 LEU 33 17.059 11.316 -4.378 97 HB3 LEU 33 HB3 LEU 33 15.417 11.829 -4.750 98 HG LEU 33 HG LEU 33 15.590 10.797 -6.986 99 HD11 LEU 33 HD11 LEU 33 18.262 9.743 -5.925 100 HD12 LEU 33 HD12 LEU 33 17.405 9.132 -7.366 101 HD13 LEU 33 HD13 LEU 33 18.029 10.777 -7.352 102 HD21 LEU 33 HD21 LEU 33 15.475 8.472 -6.167 103 HD22 LEU 33 HD22 LEU 33 16.219 8.962 -4.630 104 HD23 LEU 33 HD23 LEU 33 14.614 9.581 -5.083 105 H LEU 34 H LEU 34 17.933 13.505 -3.459 106 HA LEU 34 HA LEU 34 15.966 15.176 -2.318 107 HB2 LEU 34 HB2 LEU 34 17.846 13.957 -1.189 108 HB3 LEU 34 HB3 LEU 34 18.987 15.123 -1.818 109 HG LEU 34 HG LEU 34 18.345 15.323 0.593 110 HD11 LEU 34 HD11 LEU 34 18.356 17.699 0.702 111 HD12 LEU 34 HD12 LEU 34 19.371 17.212 -0.664 112 HD13 LEU 34 HD13 LEU 34 17.739 17.866 -0.941 113 HD21 LEU 34 HD21 LEU 34 16.272 16.376 1.244 114 HD22 LEU 34 HD22 LEU 34 15.726 16.479 -0.435 115 HD23 LEU 34 HD23 LEU 34 15.914 14.888 0.350 116 H LYS 35 H LYS 35 18.843 16.142 -4.296 117 HA LYS 35 HA LYS 35 18.381 18.917 -4.181 118 HB2 LYS 35 HB2 LYS 35 20.347 17.319 -5.217 119 HB3 LYS 35 HB3 LYS 35 19.485 17.689 -6.704 120 HG2 LYS 35 HG2 LYS 35 21.152 19.388 -6.487 121 HG3 LYS 35 HG3 LYS 35 19.639 20.159 -6.009 122 HD2 LYS 35 HD2 LYS 35 21.016 20.844 -4.279 123 HD3 LYS 35 HD3 LYS 35 20.348 19.357 -3.558 124 HE2 LYS 35 HE2 LYS 35 22.324 18.102 -4.061 125 HE3 LYS 35 HE3 LYS 35 22.966 19.385 -5.101 126 HZ1 LYS 35 HZ1 LYS 35 23.186 20.806 -3.137 127 HZ2 LYS 35 HZ2 LYS 35 22.596 19.644 -2.154 128 HZ3 LYS 35 HZ3 LYS 35 24.031 19.436 -2.914 129 H ILE 36 H ILE 36 17.011 16.604 -6.553 130 HA ILE 36 HA ILE 36 15.546 18.511 -8.131 131 HB ILE 36 HB ILE 36 15.042 15.593 -7.510 132 HG12 ILE 36 HG12 ILE 36 16.076 16.865 -10.068 133 HG13 ILE 36 HG13 ILE 36 17.188 16.484 -8.769 134 HG21 ILE 36 HG21 ILE 36 13.745 17.381 -9.625 135 HG22 ILE 36 HG22 ILE 36 13.572 15.620 -9.515 136 HG23 ILE 36 HG23 ILE 36 12.915 16.639 -8.244 137 HD11 ILE 36 HD11 ILE 36 15.419 14.405 -10.058 138 HD12 ILE 36 HD12 ILE 36 17.138 14.699 -10.413 139 HD13 ILE 36 HD13 ILE 36 16.643 14.173 -8.788 140 H LEU 37 H LEU 37 14.583 16.623 -5.158 141 HA LEU 37 HA LEU 37 11.939 17.644 -4.925 142 HB2 LEU 37 HB2 LEU 37 13.986 16.359 -3.065 143 HB3 LEU 37 HB3 LEU 37 12.401 16.820 -2.481 144 HG LEU 37 HG LEU 37 11.318 15.221 -3.539 145 HD11 LEU 37 HD11 LEU 37 11.808 13.858 -5.442 146 HD12 LEU 37 HD12 LEU 37 11.834 15.562 -5.883 147 HD13 LEU 37 HD13 LEU 37 13.358 14.670 -5.681 148 HD21 LEU 37 HD21 LEU 37 14.034 13.937 -3.267 149 HD22 LEU 37 HD22 LEU 37 12.866 14.219 -1.953 150 HD23 LEU 37 HD23 LEU 37 12.481 13.087 -3.265 151 H HIS 38 H HIS 38 15.022 18.793 -3.528 152 HA HIS 38 HA HIS 38 13.831 21.015 -2.083 153 HB2 HIS 38 HB2 HIS 38 16.605 20.066 -2.765 154 HB3 HIS 38 HB3 HIS 38 16.373 21.698 -2.124 155 HD2 HIS 38 HD2 HIS 38 14.008 19.020 -0.807 156 HE1 HIS 38 HE1 HIS 38 16.706 19.911 2.371 157 HE2 HIS 38 HE2 HIS 38 14.543 18.703 1.758 158 H ALA 39 H ALA 39 15.334 20.783 -5.331 159 HA ALA 39 HA ALA 39 15.157 23.555 -5.984 160 HB1 ALA 39 HB1 ALA 39 15.063 21.050 -7.694 161 HB2 ALA 39 HB2 ALA 39 15.275 22.703 -8.318 162 HB3 ALA 39 HB3 ALA 39 16.507 21.989 -7.261 163 H ALA 40 H ALA 40 12.717 21.023 -5.829 164 HA ALA 40 HA ALA 40 10.666 22.721 -6.995 165 HB1 ALA 40 HB1 ALA 40 10.908 20.070 -6.868 166 HB2 ALA 40 HB2 ALA 40 10.009 20.286 -5.365 167 HB3 ALA 40 HB3 ALA 40 9.332 20.881 -6.903 168 H GLY 41 H GLY 41 11.962 22.263 -3.727 169 HA2 GLY 41 HA2 GLY 41 11.411 23.545 -1.832 170 HA3 GLY 41 HA3 GLY 41 9.882 24.030 -2.552 171 H ALA 42 H ALA 42 11.598 21.169 -1.263 172 HA ALA 42 HA ALA 42 9.148 19.733 -0.575 173 HB1 ALA 42 HB1 ALA 42 11.999 19.074 0.194 174 HB2 ALA 42 HB2 ALA 42 10.598 17.988 0.129 175 HB3 ALA 42 HB3 ALA 42 11.254 18.635 -1.370 176 H GLN 43 H GLN 43 8.828 18.860 1.648 177 HA GLN 43 HA GLN 43 8.963 21.094 3.586 178 HB2 GLN 43 HB2 GLN 43 6.794 20.003 2.703 179 HB3 GLN 43 HB3 GLN 43 7.168 18.670 3.803 180 HG2 GLN 43 HG2 GLN 43 7.156 20.320 5.710 181 HG3 GLN 43 HG3 GLN 43 6.811 21.613 4.565 182 HE21 GLN 43 HE22 GLN 43 5.036 21.553 6.516 183 HE22 GLN 43 HE21 GLN 43 3.546 20.756 6.025 184 H GLY 44 H GLY 44 11.279 19.404 3.185 185 HA2 GLY 44 HA2 GLY 44 12.528 19.142 5.547 186 HA3 GLY 44 HA3 GLY 44 11.513 17.700 5.590 187 H GLU 45 H GLU 45 13.459 16.497 5.693 188 HA GLU 45 HA GLU 45 14.664 15.921 2.999 189 HB2 GLU 45 HB2 GLU 45 15.900 15.738 5.768 190 HB3 GLU 45 HB3 GLU 45 16.638 15.091 4.297 191 HG2 GLU 45 HG2 GLU 45 16.790 17.323 3.320 192 HG3 GLU 45 HG3 GLU 45 15.927 18.024 4.690 193 H MET 46 H MET 46 12.488 14.720 5.177 194 HA MET 46 HA MET 46 13.086 11.791 4.737 195 HB2 MET 46 HB2 MET 46 12.249 13.361 7.204 196 HB3 MET 46 HB3 MET 46 11.818 11.682 7.002 197 HG2 MET 46 HG2 MET 46 13.769 11.673 8.289 198 HG3 MET 46 HG3 MET 46 14.219 11.096 6.694 199 HE1 MET 46 HE1 MET 46 15.463 15.167 8.557 200 HE2 MET 46 HE2 MET 46 13.780 14.858 8.088 201 HE3 MET 46 HE3 MET 46 14.531 13.904 9.389 202 H PHE 47 H PHE 47 11.494 11.039 3.371 203 HA PHE 47 HA PHE 47 8.624 11.606 3.965 204 HB2 PHE 47 HB2 PHE 47 9.024 11.861 1.114 205 HB3 PHE 47 HB3 PHE 47 8.249 12.938 2.248 206 HD1 PHE 47 HD1 PHE 47 11.735 11.898 1.243 207 HD2 PHE 47 HD2 PHE 47 9.111 15.113 2.430 208 HE1 PHE 47 HE1 PHE 47 13.545 13.526 0.875 209 HE2 PHE 47 HE2 PHE 47 10.912 16.755 1.974 210 HZ PHE 47 HZ PHE 47 13.126 15.978 1.150 211 H THR 48 H THR 48 7.136 10.314 2.516 212 HA THR 48 HA THR 48 8.106 7.581 1.916 213 HB THR 48 HB THR 48 5.504 7.474 1.249 214 HG1 THR 48 HG1 THR 48 4.468 8.942 2.847 215 HG21 THR 48 HG21 THR 48 6.486 6.194 3.060 216 HG22 THR 48 HG22 THR 48 6.553 7.639 4.084 217 HG23 THR 48 HG23 THR 48 4.980 6.948 3.608 218 H VAL 49 H VAL 49 7.348 6.577 -0.134 219 HA VAL 49 HA VAL 49 8.442 7.578 -2.487 220 HB VAL 49 HB VAL 49 6.267 5.524 -2.054 221 HG11 VAL 49 HG11 VAL 49 6.084 6.250 -4.391 222 HG12 VAL 49 HG12 VAL 49 7.846 6.141 -4.589 223 HG13 VAL 49 HG13 VAL 49 6.877 4.678 -4.322 224 HG21 VAL 49 HG21 VAL 49 8.123 3.939 -2.429 225 HG22 VAL 49 HG22 VAL 49 9.260 5.289 -2.623 226 HG23 VAL 49 HG23 VAL 49 8.482 4.986 -1.055 227 H LYS 50 H LYS 50 5.043 7.663 -1.378 228 HA LYS 50 HA LYS 50 3.968 8.987 -3.606 229 HB2 LYS 50 HB2 LYS 50 2.000 8.929 -2.366 230 HB3 LYS 50 HB3 LYS 50 2.913 7.528 -1.827 231 HG2 LYS 50 HG2 LYS 50 3.610 8.787 0.211 232 HG3 LYS 50 HG3 LYS 50 2.614 10.160 -0.312 233 HD2 LYS 50 HD2 LYS 50 0.591 8.764 -0.229 234 HD3 LYS 50 HD3 LYS 50 1.562 7.351 0.245 235 HE2 LYS 50 HE2 LYS 50 2.292 8.512 2.296 236 HE3 LYS 50 HE3 LYS 50 1.387 9.959 1.826 237 HZ1 LYS 50 HZ1 LYS 50 -0.669 8.646 1.979 238 HZ2 LYS 50 HZ2 LYS 50 0.162 7.307 2.414 239 HZ3 LYS 50 HZ3 LYS 50 0.122 8.603 3.403 240 H GLU 51 H GLU 51 5.488 10.322 -0.716 241 HA GLU 51 HA GLU 51 4.724 13.097 -1.340 242 HB2 GLU 51 HB2 GLU 51 6.617 11.917 0.717 243 HB3 GLU 51 HB3 GLU 51 6.242 13.633 0.564 244 HG2 GLU 51 HG2 GLU 51 4.209 11.445 1.189 245 HG3 GLU 51 HG3 GLU 51 4.983 12.482 2.374 246 H VAL 52 H VAL 52 7.803 11.146 -1.474 247 HA VAL 52 HA VAL 52 9.380 13.207 -2.567 248 HB VAL 52 HB VAL 52 10.750 11.499 -3.616 249 HG11 VAL 52 HG11 VAL 52 10.118 10.864 -0.708 250 HG12 VAL 52 HG12 VAL 52 11.666 10.606 -1.533 251 HG13 VAL 52 HG13 VAL 52 11.088 12.260 -1.251 252 HG21 VAL 52 HG21 VAL 52 9.036 9.461 -2.345 253 HG22 VAL 52 HG22 VAL 52 9.201 9.693 -4.113 254 HG23 VAL 52 HG23 VAL 52 10.577 9.177 -3.165 255 H MET 53 H MET 53 7.536 10.773 -4.374 256 HA MET 53 HA MET 53 8.012 12.046 -6.886 257 HB2 MET 53 HB2 MET 53 6.603 10.582 -7.908 258 HB3 MET 53 HB3 MET 53 7.296 9.673 -6.575 259 HG2 MET 53 HG2 MET 53 5.204 10.082 -5.254 260 HG3 MET 53 HG3 MET 53 4.516 10.953 -6.618 261 HE1 MET 53 HE1 MET 53 3.878 8.261 -9.301 262 HE2 MET 53 HE2 MET 53 3.636 9.946 -8.795 263 HE3 MET 53 HE3 MET 53 5.264 9.351 -9.184 264 H HIS 54 H HIS 54 5.679 13.021 -4.419 265 HA HIS 54 HA HIS 54 4.006 14.580 -6.234 266 HB2 HIS 54 HB2 HIS 54 3.276 13.933 -3.954 267 HB3 HIS 54 HB3 HIS 54 4.515 14.979 -3.260 268 HD2 HIS 54 HD2 HIS 54 4.030 17.569 -3.136 269 HE1 HIS 54 HE1 HIS 54 0.262 17.617 -5.139 270 HE2 HIS 54 HE2 HIS 54 1.927 19.010 -3.805 271 H TYR 55 H TYR 55 6.994 15.247 -4.366 272 HA TYR 55 HA TYR 55 7.236 17.951 -5.296 273 HB2 TYR 55 HB2 TYR 55 9.481 16.095 -4.519 274 HB3 TYR 55 HB3 TYR 55 9.546 17.852 -4.591 275 HD1 TYR 55 HD1 TYR 55 7.395 18.957 -3.168 276 HD2 TYR 55 HD2 TYR 55 9.447 15.273 -2.344 277 HE1 TYR 55 HE1 TYR 55 6.547 19.014 -0.834 278 HE2 TYR 55 HE2 TYR 55 8.681 15.360 -0.004 279 HH TYR 55 HH TYR 55 6.466 17.916 1.202 280 H LEU 56 H LEU 56 7.981 14.884 -6.959 281 HA LEU 56 HA LEU 56 9.476 16.166 -9.122 282 HB2 LEU 56 HB2 LEU 56 7.777 13.645 -9.295 283 HB3 LEU 56 HB3 LEU 56 8.969 14.201 -10.452 284 HG LEU 56 HG LEU 56 9.558 13.253 -7.630 285 HD11 LEU 56 HD11 LEU 56 10.187 11.984 -10.326 286 HD12 LEU 56 HD12 LEU 56 10.523 11.313 -8.709 287 HD13 LEU 56 HD13 LEU 56 8.851 11.491 -9.263 288 HD21 LEU 56 HD21 LEU 56 11.384 14.222 -9.830 289 HD22 LEU 56 HD22 LEU 56 11.204 14.891 -8.198 290 HD23 LEU 56 HD23 LEU 56 11.942 13.297 -8.411 291 H GLY 57 H GLY 57 6.016 15.271 -8.669 292 HA2 GLY 57 HA2 GLY 57 4.988 16.331 -11.071 293 HA3 GLY 57 HA3 GLY 57 4.120 16.241 -9.530 294 H GLN 58 H GLN 58 5.343 18.051 -7.895 295 HA GLN 58 HA GLN 58 4.586 20.563 -9.043 296 HB2 GLN 58 HB2 GLN 58 4.695 21.435 -6.998 297 HB3 GLN 58 HB3 GLN 58 4.680 19.739 -6.533 298 HG2 GLN 58 HG2 GLN 58 7.243 19.892 -6.425 299 HG3 GLN 58 HG3 GLN 58 7.103 21.610 -6.719 300 HE21 GLN 58 HE22 GLN 58 7.901 22.281 -4.614 301 HE22 GLN 58 HE21 GLN 58 7.138 21.801 -3.119 302 H TYR 59 H TYR 59 7.832 19.030 -8.773 303 HA TYR 59 HA TYR 59 9.364 21.291 -9.457 304 HB2 TYR 59 HB2 TYR 59 10.353 19.162 -8.696 305 HB3 TYR 59 HB3 TYR 59 9.794 18.345 -10.118 306 HD1 TYR 59 HD1 TYR 59 10.717 19.005 -12.398 307 HD2 TYR 59 HD2 TYR 59 12.487 20.301 -8.679 308 HE1 TYR 59 HE1 TYR 59 12.890 19.307 -13.550 309 HE2 TYR 59 HE2 TYR 59 14.706 20.446 -9.814 310 HH TYR 59 HH TYR 59 15.126 19.973 -13.285 311 H ILE 60 H ILE 60 7.900 18.712 -11.535 312 HA ILE 60 HA ILE 60 8.641 19.838 -14.063 313 HB ILE 60 HB ILE 60 6.279 18.083 -13.312 314 HG12 ILE 60 HG12 ILE 60 8.795 17.024 -14.638 315 HG13 ILE 60 HG13 ILE 60 8.802 17.270 -12.900 316 HG21 ILE 60 HG21 ILE 60 6.350 17.342 -15.714 317 HG22 ILE 60 HG22 ILE 60 5.908 19.041 -15.523 318 HG23 ILE 60 HG23 ILE 60 7.537 18.618 -16.043 319 HD11 ILE 60 HD11 ILE 60 8.115 15.023 -13.267 320 HD12 ILE 60 HD12 ILE 60 6.688 15.921 -12.715 321 HD13 ILE 60 HD13 ILE 60 6.859 15.509 -14.430 322 H MET 61 H MET 61 5.730 20.314 -12.026 323 HA MET 61 HA MET 61 4.299 22.012 -13.776 324 HB2 MET 61 HB2 MET 61 3.545 20.837 -11.674 325 HB3 MET 61 HB3 MET 61 4.291 22.131 -10.742 326 HG2 MET 61 HG2 MET 61 2.115 22.503 -12.840 327 HG3 MET 61 HG3 MET 61 1.827 22.347 -11.114 328 HE1 MET 61 HE1 MET 61 2.667 24.644 -14.034 329 HE2 MET 61 HE2 MET 61 1.031 24.762 -13.347 330 HE3 MET 61 HE3 MET 61 2.127 26.159 -13.278 331 H VAL 62 H VAL 62 6.565 23.010 -11.118 332 HA VAL 62 HA VAL 62 6.417 25.795 -11.839 333 HB VAL 62 HB VAL 62 6.983 24.932 -9.587 334 HG11 VAL 62 HG11 VAL 62 8.669 23.218 -10.121 335 HG12 VAL 62 HG12 VAL 62 9.807 24.477 -10.641 336 HG13 VAL 62 HG13 VAL 62 9.263 24.389 -8.955 337 HG21 VAL 62 HG21 VAL 62 9.073 26.796 -10.749 338 HG22 VAL 62 HG22 VAL 62 7.428 27.278 -10.260 339 HG23 VAL 62 HG23 VAL 62 8.581 26.680 -9.043 340 H LYS 63 H LYS 63 8.749 23.286 -12.689 341 HA LYS 63 HA LYS 63 10.389 25.017 -14.358 342 HB2 LYS 63 HB2 LYS 63 10.162 22.002 -14.200 343 HB3 LYS 63 HB3 LYS 63 11.405 22.882 -15.099 344 HG2 LYS 63 HG2 LYS 63 11.059 22.979 -12.091 345 HG3 LYS 63 HG3 LYS 63 12.201 21.989 -12.996 346 HD2 LYS 63 HD2 LYS 63 13.106 24.258 -13.933 347 HD3 LYS 63 HD3 LYS 63 12.171 24.985 -12.610 348 HE2 LYS 63 HE2 LYS 63 14.112 24.609 -11.429 349 HE3 LYS 63 HE3 LYS 63 13.332 23.042 -11.179 350 HZ1 LYS 63 HZ1 LYS 63 14.664 22.300 -13.260 351 HZ2 LYS 63 HZ2 LYS 63 15.468 23.706 -13.157 352 HZ3 LYS 63 HZ3 LYS 63 15.571 22.627 -11.937 353 H GLN 64 H GLN 64 7.357 23.493 -15.003 354 HA GLN 64 HA GLN 64 6.157 22.831 -16.638 355 HB2 GLN 64 HB2 GLN 64 5.723 24.385 -18.499 356 HB3 GLN 64 HB3 GLN 64 5.500 25.026 -16.877 357 HG2 GLN 64 HG2 GLN 64 8.185 25.363 -18.040 358 HG3 GLN 64 HG3 GLN 64 6.921 26.278 -18.865 359 HE21 GLN 64 HE22 GLN 64 9.245 26.630 -16.514 360 HE22 GLN 64 HE21 GLN 64 8.424 27.762 -15.454 361 H LEU 65 H LEU 65 7.697 21.053 -16.655 362 HA LEU 65 HA LEU 65 9.251 20.870 -19.164 363 HB2 LEU 65 HB2 LEU 65 9.479 19.035 -16.749 364 HB3 LEU 65 HB3 LEU 65 10.431 18.967 -18.211 365 HG LEU 65 HG LEU 65 10.460 21.169 -16.158 366 HD11 LEU 65 HD11 LEU 65 11.477 19.067 -15.423 367 HD12 LEU 65 HD12 LEU 65 12.613 19.164 -16.788 368 HD13 LEU 65 HD13 LEU 65 12.613 20.423 -15.542 369 HD21 LEU 65 HD21 LEU 65 12.164 20.828 -18.664 370 HD22 LEU 65 HD22 LEU 65 10.993 22.134 -18.362 371 HD23 LEU 65 HD23 LEU 65 12.459 22.025 -17.384 372 H TYR 66 H TYR 66 6.522 20.876 -19.369 373 HA TYR 66 HA TYR 66 6.012 18.081 -20.208 374 HB2 TYR 66 HB2 TYR 66 3.558 18.567 -19.866 375 HB3 TYR 66 HB3 TYR 66 4.555 18.350 -18.446 376 HD1 TYR 66 HD1 TYR 66 3.300 21.144 -20.674 377 HD2 TYR 66 HD2 TYR 66 4.344 19.822 -16.735 378 HE1 TYR 66 HE1 TYR 66 2.569 23.341 -19.781 379 HE2 TYR 66 HE2 TYR 66 3.626 22.058 -15.803 380 HH TYR 66 HH TYR 66 2.310 24.650 -17.891 381 H ASP 67 H ASP 67 4.207 17.934 -21.941 382 HA ASP 67 HA ASP 67 4.900 19.677 -24.191 383 HB2 ASP 67 HB2 ASP 67 4.271 17.174 -24.272 384 HB3 ASP 67 HB3 ASP 67 2.603 17.724 -24.138 385 H GLN 68 H GLN 68 3.592 21.083 -25.229 386 HA GLN 68 HA GLN 68 1.779 22.832 -23.830 387 HB2 GLN 68 HB2 GLN 68 1.944 22.576 -26.844 388 HB3 GLN 68 HB3 GLN 68 1.706 24.008 -25.881 389 HG2 GLN 68 HG2 GLN 68 3.889 24.498 -25.953 390 HG3 GLN 68 HG3 GLN 68 4.378 22.930 -25.350 391 HE21 GLN 68 HE22 GLN 68 4.020 21.017 -27.258 392 HE22 GLN 68 HE21 GLN 68 4.809 21.563 -28.726 393 H GLN 69 H GLN 69 1.469 20.159 -26.139 394 HA GLN 69 HA GLN 69 -1.447 20.367 -26.383 395 HB2 GLN 69 HB2 GLN 69 0.673 18.504 -27.477 396 HB3 GLN 69 HB3 GLN 69 -1.023 18.057 -27.559 397 HG2 GLN 69 HG2 GLN 69 -0.388 19.100 -29.635 398 HG3 GLN 69 HG3 GLN 69 -1.591 20.079 -28.803 399 HE21 GLN 69 HE22 GLN 69 2.021 19.822 -29.174 400 HE22 GLN 69 HE21 GLN 69 2.251 21.562 -29.193 401 H GLU 70 H GLU 70 0.746 18.484 -24.366 402 HA GLU 70 HA GLU 70 -1.537 17.156 -22.982 403 HB2 GLU 70 HB2 GLU 70 0.841 15.755 -24.277 404 HB3 GLU 70 HB3 GLU 70 -0.137 15.036 -22.998 405 HG2 GLU 70 HG2 GLU 70 -2.182 15.424 -24.462 406 HG3 GLU 70 HG3 GLU 70 -1.076 15.858 -25.769 407 H GLN 71 H GLN 71 -1.201 18.495 -21.183 408 HA GLN 71 HA GLN 71 1.279 19.086 -19.987 409 HB2 GLN 71 HB2 GLN 71 -1.612 19.014 -19.120 410 HB3 GLN 71 HB3 GLN 71 -0.351 19.364 -17.931 411 HG2 GLN 71 HG2 GLN 71 -1.109 21.453 -18.684 412 HG3 GLN 71 HG3 GLN 71 0.467 21.235 -19.427 413 HE21 GLN 71 HE22 GLN 71 0.482 20.735 -21.859 414 HE22 GLN 71 HE21 GLN 71 -0.895 21.341 -22.761 415 H HIS 72 H HIS 72 -0.785 16.220 -19.472 416 HA HIS 72 HA HIS 72 0.717 15.111 -17.303 417 HB2 HIS 72 HB2 HIS 72 -0.672 13.077 -18.005 418 HB3 HIS 72 HB3 HIS 72 -1.573 14.522 -17.584 419 HD2 HIS 72 HD2 HIS 72 -0.650 12.258 -20.495 420 HE1 HIS 72 HE1 HIS 72 -3.216 15.278 -22.119 421 HE2 HIS 72 HE2 HIS 72 -1.971 13.100 -22.656 422 H MET 73 H MET 73 1.609 15.438 -20.597 423 HA MET 73 HA MET 73 3.420 13.076 -20.536 424 HB2 MET 73 HB2 MET 73 2.057 13.355 -22.575 425 HB3 MET 73 HB3 MET 73 2.727 14.976 -22.807 426 HG2 MET 73 HG2 MET 73 3.868 13.413 -24.249 427 HG3 MET 73 HG3 MET 73 4.983 14.044 -23.042 428 HE1 MET 73 HE1 MET 73 6.757 12.351 -23.484 429 HE2 MET 73 HE2 MET 73 6.549 10.583 -23.511 430 HE3 MET 73 HE3 MET 73 5.815 11.586 -24.784 431 H VAL 74 H VAL 74 5.482 13.357 -19.979 432 HA VAL 74 HA VAL 74 6.393 16.121 -19.311 433 HB VAL 74 HB VAL 74 7.293 13.413 -18.240 434 HG11 VAL 74 HG11 VAL 74 7.898 16.251 -17.320 435 HG12 VAL 74 HG12 VAL 74 8.298 14.791 -16.422 436 HG13 VAL 74 HG13 VAL 74 9.049 15.060 -17.992 437 HG21 VAL 74 HG21 VAL 74 5.415 15.505 -17.049 438 HG22 VAL 74 HG22 VAL 74 4.973 13.857 -17.549 439 HG23 VAL 74 HG23 VAL 74 6.058 14.088 -16.186 440 H TYR 75 H TYR 75 8.359 16.842 -19.911 441 HA TYR 75 HA TYR 75 10.234 15.391 -21.717 442 HB2 TYR 75 HB2 TYR 75 8.690 17.930 -22.307 443 HB3 TYR 75 HB3 TYR 75 10.236 17.569 -23.073 444 HD1 TYR 75 HD1 TYR 75 10.552 15.202 -24.080 445 HD2 TYR 75 HD2 TYR 75 6.710 17.034 -23.366 446 HE1 TYR 75 HE1 TYR 75 9.524 13.643 -25.685 447 HE2 TYR 75 HE2 TYR 75 5.679 15.486 -25.036 448 HH TYR 75 HH TYR 75 7.589 13.022 -26.804 449 H CYS 76 H CYS 76 11.429 15.371 -19.674 450 HA CYS 76 HA CYS 76 12.437 17.837 -18.450 451 HB2 CYS 76 HB2 CYS 76 12.774 14.875 -17.858 452 HB3 CYS 76 HB3 CYS 76 13.637 16.133 -16.964 453 HG CYS 76 HG CYS 76 10.367 16.177 -17.422 454 H GLY 77 H GLY 77 13.337 16.884 -21.298 455 HA2 GLY 77 HA2 GLY 77 16.046 16.153 -21.221 456 HA3 GLY 77 HA3 GLY 77 15.300 17.092 -22.523 457 H GLY 78 H GLY 78 17.840 17.100 -20.538 458 HA2 GLY 78 HA2 GLY 78 19.459 18.742 -20.224 459 HA3 GLY 78 HA3 GLY 78 18.312 19.998 -20.675 460 H ASP 79 H ASP 79 16.668 18.260 -18.307 461 HA ASP 79 HA ASP 79 17.658 20.049 -16.128 462 HB2 ASP 79 HB2 ASP 79 15.005 19.059 -16.975 463 HB3 ASP 79 HB3 ASP 79 15.309 18.850 -15.273 464 H LEU 80 H LEU 80 17.728 19.200 -13.902 465 HA LEU 80 HA LEU 80 19.470 17.001 -13.696 466 HB2 LEU 80 HB2 LEU 80 18.976 18.931 -12.017 467 HB3 LEU 80 HB3 LEU 80 17.582 17.938 -11.510 468 HG LEU 80 HG LEU 80 19.020 16.184 -10.698 469 HD11 LEU 80 HD11 LEU 80 21.364 17.818 -11.753 470 HD12 LEU 80 HD12 LEU 80 21.507 16.448 -10.628 471 HD13 LEU 80 HD13 LEU 80 20.885 16.181 -12.252 472 HD21 LEU 80 HD21 LEU 80 18.614 18.200 -9.253 473 HD22 LEU 80 HD22 LEU 80 20.138 17.365 -8.890 474 HD23 LEU 80 HD23 LEU 80 20.149 18.878 -9.821 475 H LEU 81 H LEU 81 15.974 17.195 -12.921 476 HA LEU 81 HA LEU 81 15.553 14.597 -12.262 477 HB2 LEU 81 HB2 LEU 81 13.882 16.338 -12.058 478 HB3 LEU 81 HB3 LEU 81 13.766 16.530 -13.800 479 HG LEU 81 HG LEU 81 12.627 14.414 -14.060 480 HD11 LEU 81 HD11 LEU 81 11.980 13.045 -12.033 481 HD12 LEU 81 HD12 LEU 81 13.683 12.942 -12.459 482 HD13 LEU 81 HD13 LEU 81 13.192 13.963 -11.104 483 HD21 LEU 81 HD21 LEU 81 10.598 14.857 -12.746 484 HD22 LEU 81 HD22 LEU 81 11.514 15.928 -11.658 485 HD23 LEU 81 HD23 LEU 81 11.289 16.365 -13.364 486 H GLY 82 H GLY 82 15.756 15.837 -15.619 487 HA2 GLY 82 HA2 GLY 82 15.085 13.359 -16.978 488 HA3 GLY 82 HA3 GLY 82 15.904 14.769 -17.663 489 H GLU 83 H GLU 83 18.195 14.906 -15.993 490 HA GLU 83 HA GLU 83 19.873 12.895 -17.150 491 HB2 GLU 83 HB2 GLU 83 21.405 14.368 -16.655 492 HB3 GLU 83 HB3 GLU 83 20.207 15.349 -15.820 493 HG2 GLU 83 HG2 GLU 83 20.752 14.328 -13.695 494 HG3 GLU 83 HG3 GLU 83 21.828 13.163 -14.471 495 H LEU 84 H LEU 84 18.411 13.139 -13.896 496 HA LEU 84 HA LEU 84 19.517 10.748 -12.856 497 HB2 LEU 84 HB2 LEU 84 18.493 12.472 -11.463 498 HB3 LEU 84 HB3 LEU 84 16.945 12.266 -12.280 499 HG LEU 84 HG LEU 84 16.768 9.942 -11.373 500 HD11 LEU 84 HD11 LEU 84 19.173 9.448 -11.049 501 HD12 LEU 84 HD12 LEU 84 19.280 10.731 -9.826 502 HD13 LEU 84 HD13 LEU 84 18.287 9.279 -9.536 503 HD21 LEU 84 HD21 LEU 84 15.774 11.915 -10.262 504 HD22 LEU 84 HD22 LEU 84 16.208 10.613 -9.149 505 HD23 LEU 84 HD23 LEU 84 17.248 12.056 -9.264 506 H LEU 85 H LEU 85 16.439 11.317 -14.560 507 HA LEU 85 HA LEU 85 15.500 8.594 -14.582 508 HB2 LEU 85 HB2 LEU 85 14.965 11.071 -16.265 509 HB3 LEU 85 HB3 LEU 85 14.231 9.551 -16.691 510 HG LEU 85 HG LEU 85 13.913 10.616 -13.895 511 HD11 LEU 85 HD11 LEU 85 13.108 12.350 -15.455 512 HD12 LEU 85 HD12 LEU 85 12.148 11.133 -16.319 513 HD13 LEU 85 HD13 LEU 85 11.754 11.559 -14.633 514 HD21 LEU 85 HD21 LEU 85 12.227 8.735 -15.598 515 HD22 LEU 85 HD22 LEU 85 13.297 8.243 -14.266 516 HD23 LEU 85 HD23 LEU 85 11.874 9.244 -13.938 517 H GLY 86 H GLY 86 17.831 10.295 -16.653 518 HA2 GLY 86 HA2 GLY 86 19.420 9.419 -18.117 519 HA3 GLY 86 HA3 GLY 86 18.780 7.787 -17.879 520 H ARG 87 H ARG 87 16.525 10.241 -18.606 521 HA ARG 87 HA ARG 87 16.223 9.911 -21.501 522 HB2 ARG 87 HB2 ARG 87 14.004 8.847 -21.360 523 HB3 ARG 87 HB3 ARG 87 15.278 7.784 -20.755 524 HG2 ARG 87 HG2 ARG 87 14.710 8.485 -18.434 525 HG3 ARG 87 HG3 ARG 87 13.329 9.401 -19.051 526 HD2 ARG 87 HD2 ARG 87 13.789 6.402 -19.202 527 HD3 ARG 87 HD3 ARG 87 12.713 7.275 -18.096 528 HE ARG 87 HE ARG 87 11.477 8.097 -20.148 529 HH11 ARG 87 HH11 ARG 87 13.071 4.967 -20.388 530 HH12 ARG 87 HH12 ARG 87 12.040 4.478 -21.703 531 HH21 ARG 87 HH21 ARG 87 10.299 7.464 -21.769 532 HH22 ARG 87 HH22 ARG 87 10.468 5.869 -22.475 533 H GLN 88 H GLN 88 14.888 11.417 -22.341 534 HA GLN 88 HA GLN 88 14.357 13.797 -20.676 535 HB2 GLN 88 HB2 GLN 88 13.464 13.287 -23.539 536 HB3 GLN 88 HB3 GLN 88 13.647 14.831 -22.706 537 HG2 GLN 88 HG2 GLN 88 16.180 14.228 -22.575 538 HG3 GLN 88 HG3 GLN 88 15.806 12.998 -23.791 539 HE21 GLN 88 HE22 GLN 88 13.768 14.582 -25.268 540 HE22 GLN 88 HE21 GLN 88 14.678 15.858 -26.062 541 H SER 89 H SER 89 12.415 10.979 -21.642 542 HA SER 89 HA SER 89 10.021 12.517 -20.700 543 HB2 SER 89 HB2 SER 89 8.761 11.859 -22.715 544 HB3 SER 89 HB3 SER 89 10.167 12.864 -23.094 545 HG SER 89 HG SER 89 9.999 11.040 -24.512 546 H PHE 90 H PHE 90 8.217 11.586 -20.170 547 HA PHE 90 HA PHE 90 7.560 8.795 -20.203 548 HB2 PHE 90 HB2 PHE 90 7.525 8.401 -17.806 549 HB3 PHE 90 HB3 PHE 90 9.163 8.760 -18.302 550 HD1 PHE 90 HD1 PHE 90 10.135 11.069 -17.854 551 HD2 PHE 90 HD2 PHE 90 6.373 9.776 -16.184 552 HE1 PHE 90 HE1 PHE 90 10.237 12.909 -16.225 553 HE2 PHE 90 HE2 PHE 90 6.484 11.597 -14.521 554 HZ PHE 90 HZ PHE 90 8.445 13.149 -14.480 555 H SER 91 H SER 91 5.400 8.665 -18.684 556 HA SER 91 HA SER 91 3.906 11.265 -18.902 557 HB2 SER 91 HB2 SER 91 3.332 9.966 -20.856 558 HB3 SER 91 HB3 SER 91 3.003 8.536 -19.867 559 HG SER 91 HG SER 91 1.136 9.897 -20.525 560 H VAL 92 H VAL 92 2.218 11.546 -17.511 561 HA VAL 92 HA VAL 92 2.167 10.419 -14.860 562 HB VAL 92 HB VAL 92 0.279 11.890 -16.648 563 HG11 VAL 92 HG11 VAL 92 -0.398 11.465 -13.753 564 HG12 VAL 92 HG12 VAL 92 -1.228 12.501 -14.954 565 HG13 VAL 92 HG13 VAL 92 -1.249 10.760 -15.161 566 HG21 VAL 92 HG21 VAL 92 0.722 13.834 -15.255 567 HG22 VAL 92 HG22 VAL 92 1.729 12.852 -14.168 568 HG23 VAL 92 HG23 VAL 92 2.240 13.152 -15.842 569 H LYS 93 H LYS 93 0.772 9.402 -17.936 570 HA LYS 93 HA LYS 93 -0.836 7.201 -16.743 571 HB2 LYS 93 HB2 LYS 93 -0.529 8.165 -19.617 572 HB3 LYS 93 HB3 LYS 93 -1.595 6.867 -19.077 573 HG2 LYS 93 HG2 LYS 93 -2.836 8.467 -17.635 574 HG3 LYS 93 HG3 LYS 93 -1.813 9.791 -18.232 575 HD2 LYS 93 HD2 LYS 93 -2.606 9.400 -20.542 576 HD3 LYS 93 HD3 LYS 93 -3.519 7.990 -20.003 577 HE2 LYS 93 HE2 LYS 93 -5.109 9.707 -20.266 578 HE3 LYS 93 HE3 LYS 93 -4.913 9.468 -18.532 579 HZ1 LYS 93 HZ1 LYS 93 -3.513 11.475 -18.483 580 HZ2 LYS 93 HZ2 LYS 93 -3.650 11.665 -20.112 581 HZ3 LYS 93 HZ3 LYS 93 -4.954 11.830 -19.151 582 H ASP 94 H ASP 94 2.358 7.559 -17.721 583 HA ASP 94 HA ASP 94 2.803 4.662 -17.736 584 HB2 ASP 94 HB2 ASP 94 2.425 5.132 -20.124 585 HB3 ASP 94 HB3 ASP 94 3.669 6.380 -20.094 586 HA PRO 95 HA PRO 95 5.919 7.361 -15.653 587 HB2 PRO 95 HB2 PRO 95 5.278 7.126 -13.078 588 HB3 PRO 95 HB3 PRO 95 4.150 7.897 -14.236 589 HG2 PRO 95 HG2 PRO 95 4.112 5.001 -13.278 590 HG3 PRO 95 HG3 PRO 95 2.769 6.189 -13.223 591 HD2 PRO 95 HD2 PRO 95 3.136 4.407 -15.304 592 HD3 PRO 95 HD3 PRO 95 2.396 6.023 -15.495 593 H SER 96 H SER 96 5.843 4.024 -15.815 594 HA SER 96 HA SER 96 7.110 2.849 -13.796 595 HB2 SER 96 HB2 SER 96 7.792 2.358 -16.714 596 HB3 SER 96 HB3 SER 96 8.039 1.221 -15.373 597 HG SER 96 HG SER 96 6.049 0.845 -16.495 598 HA PRO 97 HA PRO 97 11.642 3.779 -14.975 599 HB2 PRO 97 HB2 PRO 97 12.326 6.130 -16.213 600 HB3 PRO 97 HB3 PRO 97 11.998 4.595 -17.074 601 HG2 PRO 97 HG2 PRO 97 10.064 6.884 -16.566 602 HG3 PRO 97 HG3 PRO 97 10.407 6.052 -18.120 603 HD2 PRO 97 HD2 PRO 97 8.291 5.356 -16.684 604 HD3 PRO 97 HD3 PRO 97 9.294 4.078 -17.416 605 H LEU 98 H LEU 98 9.414 6.347 -13.862 606 HA LEU 98 HA LEU 98 11.407 7.631 -12.214 607 HB2 LEU 98 HB2 LEU 98 9.812 9.092 -11.673 608 HB3 LEU 98 HB3 LEU 98 9.070 8.442 -13.104 609 HG LEU 98 HG LEU 98 7.677 6.950 -11.527 610 HD11 LEU 98 HD11 LEU 98 8.912 7.359 -9.368 611 HD12 LEU 98 HD12 LEU 98 8.561 9.085 -9.520 612 HD13 LEU 98 HD13 LEU 98 7.248 7.911 -9.288 613 HD21 LEU 98 HD21 LEU 98 6.048 8.730 -11.235 614 HD22 LEU 98 HD22 LEU 98 7.316 9.963 -11.424 615 HD23 LEU 98 HD23 LEU 98 6.857 8.931 -12.792 616 H TYR 99 H TYR 99 8.919 5.109 -11.612 617 HA TYR 99 HA TYR 99 9.569 4.630 -8.875 618 HB2 TYR 99 HB2 TYR 99 8.378 2.834 -11.033 619 HB3 TYR 99 HB3 TYR 99 8.524 2.380 -9.348 620 HD1 TYR 99 HD1 TYR 99 6.863 4.775 -11.679 621 HD2 TYR 99 HD2 TYR 99 7.003 3.190 -7.666 622 HE1 TYR 99 HE1 TYR 99 4.764 5.972 -11.130 623 HE2 TYR 99 HE2 TYR 99 4.826 4.283 -7.164 624 HH TYR 99 HH TYR 99 3.093 5.559 -7.978 625 H ASP 100 H ASP 100 10.839 3.152 -11.903 626 HA ASP 100 HA ASP 100 12.680 1.403 -10.644 627 HB2 ASP 100 HB2 ASP 100 11.830 1.552 -13.016 628 HB3 ASP 100 HB3 ASP 100 13.099 2.726 -13.298 629 H MET 101 H MET 101 13.099 4.797 -11.605 630 HA MET 101 HA MET 101 15.866 4.795 -10.706 631 HB2 MET 101 HB2 MET 101 16.170 7.004 -11.069 632 HB3 MET 101 HB3 MET 101 15.192 6.388 -12.392 633 HG2 MET 101 HG2 MET 101 14.416 8.525 -11.847 634 HG3 MET 101 HG3 MET 101 13.208 7.360 -11.309 635 HE1 MET 101 HE1 MET 101 11.772 8.729 -9.634 636 HE2 MET 101 HE2 MET 101 12.460 10.029 -8.649 637 HE3 MET 101 HE3 MET 101 12.576 10.111 -10.422 638 H LEU 102 H LEU 102 12.846 5.116 -8.941 639 HA LEU 102 HA LEU 102 14.207 6.001 -6.492 640 HB2 LEU 102 HB2 LEU 102 11.475 4.701 -6.856 641 HB3 LEU 102 HB3 LEU 102 12.119 5.335 -5.355 642 HG LEU 102 HG LEU 102 11.446 6.958 -7.831 643 HD11 LEU 102 HD11 LEU 102 9.486 6.123 -6.586 644 HD12 LEU 102 HD12 LEU 102 10.120 6.863 -5.097 645 HD13 LEU 102 HD13 LEU 102 9.639 7.883 -6.472 646 HD21 LEU 102 HD21 LEU 102 11.783 8.951 -6.364 647 HD22 LEU 102 HD22 LEU 102 12.510 7.889 -5.138 648 HD23 LEU 102 HD23 LEU 102 13.268 8.075 -6.734 649 H ARG 103 H ARG 103 13.221 2.886 -7.990 650 HA ARG 103 HA ARG 103 13.409 1.166 -5.940 651 HB2 ARG 103 HB2 ARG 103 14.199 0.830 -8.818 652 HB3 ARG 103 HB3 ARG 103 14.432 -0.508 -7.698 653 HG2 ARG 103 HG2 ARG 103 11.979 -0.356 -7.096 654 HG3 ARG 103 HG3 ARG 103 11.804 0.845 -8.391 655 HD2 ARG 103 HD2 ARG 103 11.119 -1.308 -9.174 656 HD3 ARG 103 HD3 ARG 103 12.523 -0.713 -10.054 657 HE ARG 103 HE ARG 103 12.619 -2.808 -7.901 658 HH11 ARG 103 HH11 ARG 103 13.883 -1.702 -11.046 659 HH12 ARG 103 HH12 ARG 103 14.958 -3.068 -11.127 660 HH21 ARG 103 HH21 ARG 103 14.031 -4.476 -8.145 661 HH22 ARG 103 HH22 ARG 103 15.039 -4.580 -9.558 662 H LYS 104 H LYS 104 16.232 2.309 -7.636 663 HA LYS 104 HA LYS 104 18.128 0.909 -5.841 664 HB2 LYS 104 HB2 LYS 104 19.720 1.987 -7.723 665 HB3 LYS 104 HB3 LYS 104 18.999 0.385 -7.790 666 HG2 LYS 104 HG2 LYS 104 18.887 1.478 -9.939 667 HG3 LYS 104 HG3 LYS 104 17.285 1.142 -9.307 668 HD2 LYS 104 HD2 LYS 104 17.288 3.263 -10.381 669 HD3 LYS 104 HD3 LYS 104 17.011 3.477 -8.643 670 HE2 LYS 104 HE2 LYS 104 18.248 5.278 -9.565 671 HE3 LYS 104 HE3 LYS 104 19.152 4.425 -8.308 672 HZ1 LYS 104 HZ1 LYS 104 20.550 4.943 -10.279 673 HZ2 LYS 104 HZ2 LYS 104 20.465 3.327 -10.093 674 HZ3 LYS 104 HZ3 LYS 104 19.585 4.068 -11.256 675 H ASN 105 H ASN 105 16.825 4.042 -6.064 676 HA ASN 105 HA ASN 105 19.336 5.228 -4.896 677 HB2 ASN 105 HB2 ASN 105 17.059 6.472 -6.412 678 HB3 ASN 105 HB3 ASN 105 17.970 7.427 -5.254 679 HD21 ASN 105 HD21 ASN 105 20.561 6.645 -5.486 680 HD22 ASN 105 HD22 ASN 105 21.107 6.856 -7.128 681 H LEU 106 H LEU 106 15.922 4.662 -4.370 682 HA LEU 106 HA LEU 106 16.071 5.695 -1.561 683 HB2 LEU 106 HB2 LEU 106 14.803 7.192 -2.929 684 HB3 LEU 106 HB3 LEU 106 13.978 5.866 -3.748 685 HG LEU 106 HG LEU 106 12.740 5.306 -1.720 686 HD11 LEU 106 HD11 LEU 106 14.354 6.216 0.031 687 HD12 LEU 106 HD12 LEU 106 13.952 7.851 -0.517 688 HD13 LEU 106 HD13 LEU 106 12.713 6.824 0.220 689 HD21 LEU 106 HD21 LEU 106 11.719 6.801 -3.279 690 HD22 LEU 106 HD22 LEU 106 11.318 7.324 -1.640 691 HD23 LEU 106 HD23 LEU 106 12.564 8.204 -2.563 692 H VAL 107 H VAL 107 15.580 4.386 0.010 693 HA VAL 107 HA VAL 107 13.956 1.928 -0.485 694 HB VAL 107 HB VAL 107 16.135 2.296 1.609 695 HG11 VAL 107 HG11 VAL 107 14.390 -0.122 0.943 696 HG12 VAL 107 HG12 VAL 107 15.773 -0.122 2.057 697 HG13 VAL 107 HG13 VAL 107 14.343 0.829 2.447 698 HG21 VAL 107 HG21 VAL 107 17.315 0.499 0.360 699 HG22 VAL 107 HG22 VAL 107 16.059 0.555 -0.897 700 HG23 VAL 107 HG23 VAL 107 17.121 1.953 -0.620 701 H THR 108 H THR 108 12.113 1.735 0.733 702 HA THR 108 HA THR 108 11.408 4.016 2.508 703 HB THR 108 HB THR 108 9.896 3.786 0.745 704 HG1 THR 108 HG1 THR 108 8.014 3.520 1.869 705 HG21 THR 108 HG21 THR 108 9.530 0.862 1.522 706 HG22 THR 108 HG22 THR 108 8.491 1.757 0.386 707 HG23 THR 108 HG23 THR 108 10.185 1.480 -0.012 708 H LEU 109 H LEU 109 10.004 3.560 4.324 709 HA LEU 109 HA LEU 109 11.102 1.590 6.198 710 HB2 LEU 109 HB2 LEU 109 10.360 3.876 6.796 711 HB3 LEU 109 HB3 LEU 109 8.691 3.383 6.453 712 HG LEU 109 HG LEU 109 8.696 1.811 8.300 713 HD11 LEU 109 HD11 LEU 109 10.663 1.624 9.850 714 HD12 LEU 109 HD12 LEU 109 10.969 0.892 8.279 715 HD13 LEU 109 HD13 LEU 109 11.655 2.491 8.657 716 HD21 LEU 109 HD21 LEU 109 10.081 4.394 9.081 717 HD22 LEU 109 HD22 LEU 109 8.338 4.212 8.770 718 HD23 LEU 109 HD23 LEU 109 9.081 3.378 10.150 719 H ALA 110 H ALA 110 8.510 1.714 3.855 720 HA ALA 110 HA ALA 110 6.720 -0.190 4.993 721 HB1 ALA 110 HB1 ALA 110 5.724 -0.192 2.732 722 HB2 ALA 110 HB2 ALA 110 6.095 1.462 3.264 723 HB3 ALA 110 HB3 ALA 110 7.154 0.644 2.093 724 H THR 111 H THR 111 6.448 -2.386 4.664 725 HA THR 111 HA THR 111 8.418 -3.953 3.094 726 HB THR 111 HB THR 111 9.343 -3.532 5.338 727 HG1 THR 111 HG1 THR 111 9.912 -5.695 5.625 728 HG21 THR 111 HG21 THR 111 7.279 -3.553 6.715 729 HG22 THR 111 HG22 THR 111 7.094 -5.295 6.406 730 HG23 THR 111 HG23 THR 111 8.497 -4.687 7.308 731 HD1 48M 200 HD1 48M 200 2.562 14.863 -12.742 732 HD2 48M 200 HD2 48M 200 3.218 13.187 -8.821 733 HD3 48M 200 HD3 48M 200 -0.759 11.467 -8.768 734 HD4 48M 200 HD4 48M 200 1.960 11.985 -12.043 735 HD5 48M 200 HD5 48M 200 -2.330 14.079 -13.327 736 HE1 48M 200 HE1 48M 200 4.810 14.103 -13.430 737 HE2 48M 200 HE2 48M 200 5.426 12.384 -9.552 738 HE3 48M 200 HE3 48M 200 -0.168 9.065 -8.652 739 HE5 48M 200 HE5 48M 200 -3.367 15.003 -15.332 740 HE6 48M 200 HE6 48M 200 -0.265 17.941 -15.625 741 HZ2 48M 200 HZ2 48M 200 1.525 8.133 -10.217 742 HM21 48M 200 HM21 48M 200 3.365 15.822 -14.636 743 HM22 48M 200 HM22 48M 200 2.056 15.962 -15.813 744 HM23 48M 200 HM23 48M 200 3.506 16.956 -15.981 745 HM31 48M 200 HM31 48M 200 3.961 18.792 -14.107 746 HM32 48M 200 HM32 48M 200 2.717 19.041 -12.880 747 HM33 48M 200 HM33 48M 200 3.672 17.552 -12.870 748 HN1 48M 200 HN1 48M 200 -2.704 20.249 -12.344 749 H21 48M 200 H21 48M 200 -3.481 18.138 -11.481 750 H22 48M 200 H22 48M 200 -2.328 17.716 -12.755 751 H31 48M 200 H31 48M 200 -1.861 17.784 -9.751 752 H32 48M 200 H32 48M 200 -1.784 16.381 -10.794 753 H41 48M 200 H41 48M 200 1.085 19.435 -11.348 754 H42 48M 200 H42 48M 200 0.221 19.510 -9.796 755 H7 48M 200 H7 48M 200 -0.473 13.574 -9.545 756 H8 48M 200 H8 48M 200 1.360 14.823 -9.245 757 H9 48M 200 H9 48M 200 1.713 18.392 -15.067 Start of MODEL 18 1 H1 GLN 23 H GLN 23 6.765 15.673 13.266 2 HA GLN 23 HA GLN 23 8.607 16.329 11.165 3 HB2 GLN 23 HB2 GLN 23 8.972 14.518 13.592 4 HB3 GLN 23 HB3 GLN 23 10.278 15.096 12.547 5 HG2 GLN 23 HG2 GLN 23 9.698 17.451 13.123 6 HG3 GLN 23 HG3 GLN 23 8.452 16.868 14.231 7 HE21 GLN 23 HE22 GLN 23 11.999 16.974 13.674 8 HE22 GLN 23 HE21 GLN 23 12.403 16.615 15.348 9 H ILE 24 H ILE 24 6.396 14.569 10.478 10 HA ILE 24 HA ILE 24 5.771 12.946 9.110 11 HB ILE 24 HB ILE 24 8.430 13.771 7.989 12 HG12 ILE 24 HG12 ILE 24 5.662 13.975 6.756 13 HG13 ILE 24 HG13 ILE 24 6.264 15.171 7.913 14 HG21 ILE 24 HG21 ILE 24 7.808 12.451 5.881 15 HG22 ILE 24 HG22 ILE 24 8.417 11.533 7.257 16 HG23 ILE 24 HG23 ILE 24 6.674 11.550 6.884 17 HD11 ILE 24 HD11 ILE 24 6.629 16.018 5.691 18 HD12 ILE 24 HD12 ILE 24 8.208 15.622 6.394 19 HD13 ILE 24 HD13 ILE 24 7.467 14.545 5.187 20 H ASN 25 H ASN 25 9.013 11.886 10.088 21 HA ASN 25 HA ASN 25 9.789 9.934 10.803 22 HB2 ASN 25 HB2 ASN 25 6.902 9.380 11.467 23 HB3 ASN 25 HB3 ASN 25 8.165 8.198 11.710 24 HD21 ASN 25 HD22 ASN 25 8.444 11.676 12.053 25 HD22 ASN 25 HD21 ASN 25 8.767 11.684 13.800 26 H GLN 26 H GLN 26 9.807 10.199 8.203 27 HA GLN 26 HA GLN 26 9.631 7.491 7.069 28 HB2 GLN 26 HB2 GLN 26 8.125 9.756 5.976 29 HB3 GLN 26 HB3 GLN 26 8.995 8.766 4.815 30 HG2 GLN 26 HG2 GLN 26 7.265 7.579 7.036 31 HG3 GLN 26 HG3 GLN 26 6.645 7.933 5.470 32 HE21 GLN 26 HE22 GLN 26 8.208 5.514 7.331 33 HE22 GLN 26 HE21 GLN 26 8.798 4.529 5.998 34 H VAL 27 H VAL 27 10.800 7.877 4.608 35 HA VAL 27 HA VAL 27 13.554 8.061 5.699 36 HB VAL 27 HB VAL 27 14.092 6.497 3.788 37 HG11 VAL 27 HG11 VAL 27 13.067 4.523 4.767 38 HG12 VAL 27 HG12 VAL 27 13.610 5.626 6.042 39 HG13 VAL 27 HG13 VAL 27 11.882 5.517 5.640 40 HG21 VAL 27 HG21 VAL 27 12.057 7.247 2.387 41 HG22 VAL 27 HG22 VAL 27 12.427 5.526 2.441 42 HG23 VAL 27 HG23 VAL 27 11.092 6.172 3.414 43 H ARG 28 H ARG 28 15.364 8.433 4.333 44 HA ARG 28 HA ARG 28 14.944 10.885 2.736 45 HB2 ARG 28 HB2 ARG 28 16.161 11.189 4.770 46 HB3 ARG 28 HB3 ARG 28 17.309 9.920 4.357 47 HG2 ARG 28 HG2 ARG 28 18.244 11.250 2.546 48 HG3 ARG 28 HG3 ARG 28 16.931 12.425 2.662 49 HD2 ARG 28 HD2 ARG 28 18.808 13.439 3.648 50 HD3 ARG 28 HD3 ARG 28 17.733 12.995 4.986 51 HE ARG 28 HE ARG 28 19.527 10.855 4.694 52 HH11 ARG 28 HH11 ARG 28 19.822 14.294 5.453 53 HH12 ARG 28 HH12 ARG 28 21.260 14.026 6.408 54 HH21 ARG 28 HH21 ARG 28 21.365 10.621 5.936 55 HH22 ARG 28 HH22 ARG 28 22.105 12.013 6.668 56 HA PRO 29 HA PRO 29 16.595 8.616 -0.913 57 HB2 PRO 29 HB2 PRO 29 16.430 10.652 -2.664 58 HB3 PRO 29 HB3 PRO 29 14.979 9.765 -2.094 59 HG2 PRO 29 HG2 PRO 29 16.035 12.437 -1.149 60 HG3 PRO 29 HG3 PRO 29 14.353 11.982 -1.570 61 HD2 PRO 29 HD2 PRO 29 15.288 12.013 0.992 62 HD3 PRO 29 HD3 PRO 29 14.043 10.848 0.445 63 H LYS 30 H LYS 30 18.499 8.823 -2.265 64 HA LYS 30 HA LYS 30 20.827 10.017 -1.068 65 HB2 LYS 30 HB2 LYS 30 20.573 7.989 -2.704 66 HB3 LYS 30 HB3 LYS 30 20.601 9.209 -3.978 67 HG2 LYS 30 HG2 LYS 30 22.856 9.974 -3.038 68 HG3 LYS 30 HG3 LYS 30 22.772 8.585 -1.940 69 HD2 LYS 30 HD2 LYS 30 22.596 7.080 -3.941 70 HD3 LYS 30 HD3 LYS 30 22.737 8.510 -4.994 71 HE2 LYS 30 HE2 LYS 30 24.963 9.019 -4.005 72 HE3 LYS 30 HE3 LYS 30 24.812 7.632 -2.921 73 HZ1 LYS 30 HZ1 LYS 30 24.946 7.459 -5.893 74 HZ2 LYS 30 HZ2 LYS 30 26.153 7.081 -4.866 75 HZ3 LYS 30 HZ3 LYS 30 24.799 6.176 -4.885 76 H LEU 31 H LEU 31 22.218 11.604 -2.081 77 HA LEU 31 HA LEU 31 21.138 14.116 -2.107 78 HB2 LEU 31 HB2 LEU 31 23.726 13.214 -3.425 79 HB3 LEU 31 HB3 LEU 31 23.307 14.891 -3.095 80 HG LEU 31 HG LEU 31 23.693 12.724 -0.987 81 HD11 LEU 31 HD11 LEU 31 25.778 13.438 -2.102 82 HD12 LEU 31 HD12 LEU 31 25.399 15.135 -1.731 83 HD13 LEU 31 HD13 LEU 31 25.722 13.981 -0.418 84 HD21 LEU 31 HD21 LEU 31 22.089 14.366 -0.142 85 HD22 LEU 31 HD22 LEU 31 23.652 14.630 0.628 86 HD23 LEU 31 HD23 LEU 31 23.129 15.707 -0.685 87 HA PRO 32 HA PRO 32 20.928 14.665 -6.903 88 HB2 PRO 32 HB2 PRO 32 20.218 12.286 -8.259 89 HB3 PRO 32 HB3 PRO 32 21.815 13.109 -8.340 90 HG2 PRO 32 HG2 PRO 32 20.941 10.777 -6.649 91 HG3 PRO 32 HG3 PRO 32 22.528 11.051 -7.429 92 HD2 PRO 32 HD2 PRO 32 22.183 11.442 -4.795 93 HD3 PRO 32 HD3 PRO 32 23.186 12.574 -5.742 94 H LEU 33 H LEU 33 19.038 12.025 -5.567 95 HA LEU 33 HA LEU 33 16.617 13.066 -6.766 96 HB2 LEU 33 HB2 LEU 33 16.967 10.746 -6.414 97 HB3 LEU 33 HB3 LEU 33 17.287 10.982 -4.690 98 HG LEU 33 HG LEU 33 15.006 11.646 -4.312 99 HD11 LEU 33 HD11 LEU 33 13.243 11.459 -5.978 100 HD12 LEU 33 HD12 LEU 33 14.378 12.710 -6.479 101 HD13 LEU 33 HD13 LEU 33 14.417 11.112 -7.254 102 HD21 LEU 33 HD21 LEU 33 13.962 9.522 -4.659 103 HD22 LEU 33 HD22 LEU 33 15.042 9.141 -6.026 104 HD23 LEU 33 HD23 LEU 33 15.683 9.212 -4.374 105 H LEU 34 H LEU 34 18.059 13.341 -3.484 106 HA LEU 34 HA LEU 34 15.965 14.922 -2.361 107 HB2 LEU 34 HB2 LEU 34 17.926 13.827 -1.166 108 HB3 LEU 34 HB3 LEU 34 18.964 15.087 -1.820 109 HG LEU 34 HG LEU 34 17.662 16.809 -0.577 110 HD11 LEU 34 HD11 LEU 34 16.112 16.053 1.225 111 HD12 LEU 34 HD12 LEU 34 15.461 15.728 -0.378 112 HD13 LEU 34 HD13 LEU 34 16.173 14.401 0.580 113 HD21 LEU 34 HD21 LEU 34 19.665 15.764 0.420 114 HD22 LEU 34 HD22 LEU 34 18.474 16.177 1.661 115 HD23 LEU 34 HD23 LEU 34 18.654 14.488 1.135 116 H LYS 35 H LYS 35 18.749 15.909 -4.415 117 HA LYS 35 HA LYS 35 18.350 18.689 -4.341 118 HB2 LYS 35 HB2 LYS 35 20.123 16.993 -5.641 119 HB3 LYS 35 HB3 LYS 35 19.126 17.499 -6.991 120 HG2 LYS 35 HG2 LYS 35 20.866 19.099 -6.911 121 HG3 LYS 35 HG3 LYS 35 19.493 19.912 -6.166 122 HD2 LYS 35 HD2 LYS 35 21.248 20.400 -4.661 123 HD3 LYS 35 HD3 LYS 35 20.436 19.034 -3.896 124 HE2 LYS 35 HE2 LYS 35 22.730 18.582 -3.677 125 HE3 LYS 35 HE3 LYS 35 22.160 17.493 -4.940 126 HZ1 LYS 35 HZ1 LYS 35 23.114 19.057 -6.593 127 HZ2 LYS 35 HZ2 LYS 35 23.601 20.068 -5.402 128 HZ3 LYS 35 HZ3 LYS 35 24.266 18.589 -5.539 129 H ILE 36 H ILE 36 16.751 16.353 -6.522 130 HA ILE 36 HA ILE 36 15.241 18.241 -8.048 131 HB ILE 36 HB ILE 36 14.733 15.344 -7.313 132 HG12 ILE 36 HG12 ILE 36 15.605 16.509 -9.977 133 HG13 ILE 36 HG13 ILE 36 16.798 16.169 -8.739 134 HG21 ILE 36 HG21 ILE 36 12.558 16.331 -7.945 135 HG22 ILE 36 HG22 ILE 36 13.286 17.038 -9.404 136 HG23 ILE 36 HG23 ILE 36 13.147 15.278 -9.223 137 HD11 ILE 36 HD11 ILE 36 14.935 14.083 -9.910 138 HD12 ILE 36 HD12 ILE 36 16.671 14.296 -10.248 139 HD13 ILE 36 HD13 ILE 36 16.134 13.835 -8.630 140 H LEU 37 H LEU 37 14.406 16.486 -4.980 141 HA LEU 37 HA LEU 37 11.790 17.578 -4.676 142 HB2 LEU 37 HB2 LEU 37 13.848 16.344 -2.793 143 HB3 LEU 37 HB3 LEU 37 12.244 16.782 -2.258 144 HG LEU 37 HG LEU 37 11.237 15.078 -3.210 145 HD11 LEU 37 HD11 LEU 37 11.729 13.736 -5.121 146 HD12 LEU 37 HD12 LEU 37 11.647 15.441 -5.576 147 HD13 LEU 37 HD13 LEU 37 13.221 14.628 -5.425 148 HD21 LEU 37 HD21 LEU 37 12.924 14.156 -1.715 149 HD22 LEU 37 HD22 LEU 37 12.531 13.011 -3.014 150 HD23 LEU 37 HD23 LEU 37 14.030 13.943 -3.094 151 H HIS 38 H HIS 38 14.957 18.624 -3.383 152 HA HIS 38 HA HIS 38 13.914 20.900 -1.919 153 HB2 HIS 38 HB2 HIS 38 16.644 19.922 -2.798 154 HB3 HIS 38 HB3 HIS 38 16.446 21.490 -2.005 155 HD2 HIS 38 HD2 HIS 38 13.978 19.126 -0.536 156 HE1 HIS 38 HE1 HIS 38 17.286 19.066 2.147 157 HE2 HIS 38 HE2 HIS 38 14.821 18.446 1.857 158 H ALA 39 H ALA 39 15.309 20.607 -5.223 159 HA ALA 39 HA ALA 39 15.230 23.378 -5.863 160 HB1 ALA 39 HB1 ALA 39 14.950 20.899 -7.598 161 HB2 ALA 39 HB2 ALA 39 15.256 22.544 -8.204 162 HB3 ALA 39 HB3 ALA 39 16.463 21.739 -7.185 163 H ALA 40 H ALA 40 12.691 20.933 -5.725 164 HA ALA 40 HA ALA 40 10.695 22.700 -6.866 165 HB1 ALA 40 HB1 ALA 40 10.864 20.046 -6.755 166 HB2 ALA 40 HB2 ALA 40 9.981 20.272 -5.244 167 HB3 ALA 40 HB3 ALA 40 9.310 20.890 -6.777 168 H GLY 41 H GLY 41 12.000 22.228 -3.625 169 HA2 GLY 41 HA2 GLY 41 11.479 23.448 -1.686 170 HA3 GLY 41 HA3 GLY 41 9.957 23.987 -2.388 171 H ALA 42 H ALA 42 11.630 21.122 -1.066 172 HA ALA 42 HA ALA 42 9.113 19.732 -0.435 173 HB1 ALA 42 HB1 ALA 42 11.924 18.888 0.301 174 HB2 ALA 42 HB2 ALA 42 10.460 17.896 0.170 175 HB3 ALA 42 HB3 ALA 42 11.169 18.570 -1.291 176 H GLN 43 H GLN 43 8.854 18.770 1.777 177 HA GLN 43 HA GLN 43 9.014 20.958 3.750 178 HB2 GLN 43 HB2 GLN 43 6.850 19.778 2.911 179 HB3 GLN 43 HB3 GLN 43 7.316 18.477 3.997 180 HG2 GLN 43 HG2 GLN 43 5.747 19.895 5.123 181 HG3 GLN 43 HG3 GLN 43 7.294 20.147 5.903 182 HE21 GLN 43 HE22 GLN 43 5.942 22.124 6.659 183 HE22 GLN 43 HE21 GLN 43 6.043 23.548 5.631 184 H GLY 44 H GLY 44 11.380 19.355 3.278 185 HA2 GLY 44 HA2 GLY 44 12.735 19.127 5.557 186 HA3 GLY 44 HA3 GLY 44 11.717 17.701 5.722 187 H GLU 45 H GLU 45 13.513 16.380 5.743 188 HA GLU 45 HA GLU 45 14.647 15.715 3.041 189 HB2 GLU 45 HB2 GLU 45 15.884 15.316 5.790 190 HB3 GLU 45 HB3 GLU 45 16.535 14.704 4.264 191 HG2 GLU 45 HG2 GLU 45 16.870 16.963 3.420 192 HG3 GLU 45 HG3 GLU 45 16.156 17.647 4.883 193 H MET 46 H MET 46 12.345 14.713 5.173 194 HA MET 46 HA MET 46 12.791 11.742 4.819 195 HB2 MET 46 HB2 MET 46 11.602 13.388 7.092 196 HB3 MET 46 HB3 MET 46 11.386 11.651 6.936 197 HG2 MET 46 HG2 MET 46 13.844 11.343 6.969 198 HG3 MET 46 HG3 MET 46 14.059 13.081 7.191 199 HE1 MET 46 HE1 MET 46 12.710 13.689 10.823 200 HE2 MET 46 HE2 MET 46 13.475 14.409 9.390 201 HE3 MET 46 HE3 MET 46 11.774 13.886 9.331 202 H PHE 47 H PHE 47 11.336 11.128 3.187 203 HA PHE 47 HA PHE 47 8.457 11.664 3.648 204 HB2 PHE 47 HB2 PHE 47 8.941 12.012 0.832 205 HB3 PHE 47 HB3 PHE 47 8.180 13.087 1.981 206 HD1 PHE 47 HD2 PHE 47 11.615 11.982 0.934 207 HD2 PHE 47 HD1 PHE 47 9.133 15.204 2.350 208 HE1 PHE 47 HE2 PHE 47 13.518 13.539 0.730 209 HE2 PHE 47 HE1 PHE 47 11.018 16.792 2.050 210 HZ PHE 47 HZ PHE 47 13.204 15.980 1.187 211 H THR 48 H THR 48 7.044 10.390 2.246 212 HA THR 48 HA THR 48 7.959 7.625 1.770 213 HB THR 48 HB THR 48 5.551 7.325 1.074 214 HG1 THR 48 HG1 THR 48 4.360 9.383 1.731 215 HG21 THR 48 HG21 THR 48 6.190 7.133 3.477 216 HG22 THR 48 HG22 THR 48 5.812 8.852 3.688 217 HG23 THR 48 HG23 THR 48 4.529 7.699 3.218 218 H VAL 49 H VAL 49 7.254 6.579 -0.351 219 HA VAL 49 HA VAL 49 8.410 7.540 -2.734 220 HB VAL 49 HB VAL 49 6.233 5.507 -2.229 221 HG11 VAL 49 HG11 VAL 49 6.742 4.650 -4.521 222 HG12 VAL 49 HG12 VAL 49 5.942 6.219 -4.550 223 HG13 VAL 49 HG13 VAL 49 7.691 6.117 -4.835 224 HG21 VAL 49 HG21 VAL 49 8.484 4.955 -1.325 225 HG22 VAL 49 HG22 VAL 49 8.061 3.906 -2.680 226 HG23 VAL 49 HG23 VAL 49 9.198 5.248 -2.925 227 H LYS 50 H LYS 50 5.025 7.619 -1.578 228 HA LYS 50 HA LYS 50 3.926 8.993 -3.796 229 HB2 LYS 50 HB2 LYS 50 1.938 8.856 -2.512 230 HB3 LYS 50 HB3 LYS 50 2.854 7.362 -2.305 231 HG2 LYS 50 HG2 LYS 50 3.577 8.039 -0.104 232 HG3 LYS 50 HG3 LYS 50 2.793 9.624 -0.272 233 HD2 LYS 50 HD2 LYS 50 1.456 8.293 1.144 234 HD3 LYS 50 HD3 LYS 50 0.587 8.420 -0.399 235 HE2 LYS 50 HE2 LYS 50 1.477 6.144 -1.019 236 HE3 LYS 50 HE3 LYS 50 2.300 6.068 0.551 237 HZ1 LYS 50 HZ1 LYS 50 0.157 4.909 0.608 238 HZ2 LYS 50 HZ2 LYS 50 0.106 6.183 1.624 239 HZ3 LYS 50 HZ3 LYS 50 -0.651 6.257 0.178 240 H GLU 51 H GLU 51 5.298 10.231 -0.740 241 HA GLU 51 HA GLU 51 4.584 13.007 -1.349 242 HB2 GLU 51 HB2 GLU 51 6.495 11.722 0.615 243 HB3 GLU 51 HB3 GLU 51 6.308 13.473 0.447 244 HG2 GLU 51 HG2 GLU 51 3.942 13.344 0.985 245 HG3 GLU 51 HG3 GLU 51 4.001 11.596 1.112 246 H VAL 52 H VAL 52 7.641 11.046 -1.746 247 HA VAL 52 HA VAL 52 9.151 13.225 -2.727 248 HB VAL 52 HB VAL 52 10.585 11.664 -3.817 249 HG11 VAL 52 HG11 VAL 52 11.586 10.742 -1.803 250 HG12 VAL 52 HG12 VAL 52 10.855 12.313 -1.417 251 HG13 VAL 52 HG13 VAL 52 10.033 10.806 -0.956 252 HG21 VAL 52 HG21 VAL 52 10.634 9.365 -3.671 253 HG22 VAL 52 HG22 VAL 52 9.174 9.349 -2.681 254 HG23 VAL 52 HG23 VAL 52 9.106 9.784 -4.412 255 H MET 53 H MET 53 7.392 10.796 -4.590 256 HA MET 53 HA MET 53 7.742 12.110 -7.089 257 HB2 MET 53 HB2 MET 53 6.229 10.663 -8.044 258 HB3 MET 53 HB3 MET 53 7.010 9.743 -6.760 259 HG2 MET 53 HG2 MET 53 5.002 10.278 -5.298 260 HG3 MET 53 HG3 MET 53 4.225 10.984 -6.711 261 HE1 MET 53 HE1 MET 53 5.289 8.787 -9.044 262 HE2 MET 53 HE2 MET 53 3.751 7.907 -9.086 263 HE3 MET 53 HE3 MET 53 3.754 9.679 -8.932 264 H HIS 54 H HIS 54 5.538 13.091 -4.511 265 HA HIS 54 HA HIS 54 3.861 14.747 -6.252 266 HB2 HIS 54 HB2 HIS 54 3.153 14.044 -3.972 267 HB3 HIS 54 HB3 HIS 54 4.429 15.046 -3.279 268 HD2 HIS 54 HD2 HIS 54 4.043 17.655 -3.131 269 HE1 HIS 54 HE1 HIS 54 0.185 17.820 -4.947 270 HE2 HIS 54 HE2 HIS 54 1.948 19.155 -3.681 271 H TYR 55 H TYR 55 6.910 15.222 -4.420 272 HA TYR 55 HA TYR 55 7.226 17.951 -5.277 273 HB2 TYR 55 HB2 TYR 55 9.403 16.031 -4.442 274 HB3 TYR 55 HB3 TYR 55 9.516 17.785 -4.540 275 HD1 TYR 55 HD1 TYR 55 7.392 18.993 -3.199 276 HD2 TYR 55 HD2 TYR 55 9.256 15.238 -2.247 277 HE1 TYR 55 HE1 TYR 55 6.487 19.137 -0.892 278 HE2 TYR 55 HE2 TYR 55 8.395 15.392 0.063 279 HH TYR 55 HH TYR 55 6.297 18.089 1.159 280 H LEU 56 H LEU 56 8.198 14.846 -6.916 281 HA LEU 56 HA LEU 56 9.517 16.128 -9.101 282 HB2 LEU 56 HB2 LEU 56 7.968 13.512 -8.829 283 HB3 LEU 56 HB3 LEU 56 8.509 14.113 -10.385 284 HG LEU 56 HG LEU 56 10.810 14.283 -9.497 285 HD11 LEU 56 HD11 LEU 56 11.545 12.927 -7.649 286 HD12 LEU 56 HD12 LEU 56 10.401 14.142 -7.075 287 HD13 LEU 56 HD13 LEU 56 9.882 12.453 -7.267 288 HD21 LEU 56 HD21 LEU 56 9.575 11.490 -9.484 289 HD22 LEU 56 HD22 LEU 56 9.960 12.424 -10.946 290 HD23 LEU 56 HD23 LEU 56 11.266 11.916 -9.863 291 H GLY 57 H GLY 57 6.025 15.339 -8.654 292 HA2 GLY 57 HA2 GLY 57 5.093 16.358 -11.117 293 HA3 GLY 57 HA3 GLY 57 4.177 16.289 -9.601 294 H GLN 58 H GLN 58 5.338 18.115 -7.956 295 HA GLN 58 HA GLN 58 4.621 20.626 -9.135 296 HB2 GLN 58 HB2 GLN 58 4.717 21.516 -7.084 297 HB3 GLN 58 HB3 GLN 58 4.641 19.821 -6.620 298 HG2 GLN 58 HG2 GLN 58 7.207 19.902 -6.469 299 HG3 GLN 58 HG3 GLN 58 7.114 21.626 -6.745 300 HE21 GLN 58 HE22 GLN 58 7.928 22.230 -4.623 301 HE22 GLN 58 HE21 GLN 58 7.153 21.743 -3.142 302 H TYR 59 H TYR 59 7.833 19.062 -8.757 303 HA TYR 59 HA TYR 59 9.435 21.277 -9.427 304 HB2 TYR 59 HB2 TYR 59 10.381 19.176 -8.612 305 HB3 TYR 59 HB3 TYR 59 9.795 18.311 -9.990 306 HD1 TYR 59 HD2 TYR 59 10.730 18.828 -12.306 307 HD2 TYR 59 HD1 TYR 59 12.571 20.211 -8.656 308 HE1 TYR 59 HE2 TYR 59 12.946 18.827 -13.431 309 HE2 TYR 59 HE1 TYR 59 14.800 20.117 -9.764 310 HH TYR 59 HH TYR 59 15.984 19.553 -11.644 311 H ILE 60 H ILE 60 7.954 18.720 -11.547 312 HA ILE 60 HA ILE 60 8.807 19.848 -14.043 313 HB ILE 60 HB ILE 60 6.403 18.130 -13.348 314 HG12 ILE 60 HG12 ILE 60 8.893 17.105 -14.744 315 HG13 ILE 60 HG13 ILE 60 8.911 17.288 -12.993 316 HG21 ILE 60 HG21 ILE 60 6.520 17.477 -15.831 317 HG22 ILE 60 HG22 ILE 60 5.878 19.057 -15.447 318 HG23 ILE 60 HG23 ILE 60 7.543 18.914 -16.070 319 HD11 ILE 60 HD11 ILE 60 8.205 15.054 -13.483 320 HD12 ILE 60 HD12 ILE 60 6.823 15.944 -12.812 321 HD13 ILE 60 HD13 ILE 60 6.905 15.625 -14.553 322 H MET 61 H MET 61 5.817 20.357 -12.132 323 HA MET 61 HA MET 61 4.509 22.096 -13.935 324 HB2 MET 61 HB2 MET 61 3.647 20.900 -11.888 325 HB3 MET 61 HB3 MET 61 4.351 22.180 -10.901 326 HG2 MET 61 HG2 MET 61 2.291 22.588 -13.108 327 HG3 MET 61 HG3 MET 61 1.903 22.406 -11.405 328 HE1 MET 61 HE1 MET 61 1.231 24.860 -13.632 329 HE2 MET 61 HE2 MET 61 2.333 26.248 -13.491 330 HE3 MET 61 HE3 MET 61 2.898 24.737 -14.239 331 H VAL 62 H VAL 62 6.726 23.017 -11.205 332 HA VAL 62 HA VAL 62 6.673 25.819 -11.925 333 HB VAL 62 HB VAL 62 7.093 24.940 -9.641 334 HG11 VAL 62 HG11 VAL 62 8.777 23.199 -10.102 335 HG12 VAL 62 HG12 VAL 62 9.963 24.443 -10.541 336 HG13 VAL 62 HG13 VAL 62 9.320 24.349 -8.891 337 HG21 VAL 62 HG21 VAL 62 8.690 26.658 -9.008 338 HG22 VAL 62 HG22 VAL 62 9.274 26.770 -10.684 339 HG23 VAL 62 HG23 VAL 62 7.614 27.281 -10.279 340 H LYS 63 H LYS 63 9.000 23.247 -12.629 341 HA LYS 63 HA LYS 63 10.779 24.920 -14.202 342 HB2 LYS 63 HB2 LYS 63 10.417 21.910 -14.088 343 HB3 LYS 63 HB3 LYS 63 11.728 22.732 -14.934 344 HG2 LYS 63 HG2 LYS 63 11.278 22.848 -11.936 345 HG3 LYS 63 HG3 LYS 63 12.414 21.809 -12.794 346 HD2 LYS 63 HD2 LYS 63 13.429 24.043 -13.719 347 HD3 LYS 63 HD3 LYS 63 12.460 24.817 -12.452 348 HE2 LYS 63 HE2 LYS 63 14.428 24.459 -11.288 349 HE3 LYS 63 HE3 LYS 63 13.514 23.000 -10.867 350 HZ1 LYS 63 HZ1 LYS 63 15.588 23.199 -13.025 351 HZ2 LYS 63 HZ2 LYS 63 15.820 22.486 -11.582 352 HZ3 LYS 63 HZ3 LYS 63 14.785 21.835 -12.678 353 H GLN 64 H GLN 64 7.741 23.527 -15.022 354 HA GLN 64 HA GLN 64 6.603 22.938 -16.714 355 HB2 GLN 64 HB2 GLN 64 6.293 24.525 -18.568 356 HB3 GLN 64 HB3 GLN 64 6.039 25.162 -16.949 357 HG2 GLN 64 HG2 GLN 64 8.780 25.391 -17.998 358 HG3 GLN 64 HG3 GLN 64 7.595 26.358 -18.880 359 HE21 GLN 64 HE22 GLN 64 9.812 26.597 -16.407 360 HE22 GLN 64 HE21 GLN 64 8.988 27.758 -15.383 361 H LEU 65 H LEU 65 8.011 21.092 -16.699 362 HA LEU 65 HA LEU 65 9.678 20.855 -19.119 363 HB2 LEU 65 HB2 LEU 65 9.636 18.974 -16.730 364 HB3 LEU 65 HB3 LEU 65 10.664 18.846 -18.139 365 HG LEU 65 HG LEU 65 10.770 20.980 -16.015 366 HD11 LEU 65 HD11 LEU 65 11.682 18.797 -15.385 367 HD12 LEU 65 HD12 LEU 65 12.805 18.884 -16.769 368 HD13 LEU 65 HD13 LEU 65 12.917 20.070 -15.462 369 HD21 LEU 65 HD21 LEU 65 12.829 21.790 -17.175 370 HD22 LEU 65 HD22 LEU 65 12.478 20.688 -18.525 371 HD23 LEU 65 HD23 LEU 65 11.381 22.039 -18.152 372 H TYR 66 H TYR 66 6.887 21.002 -19.428 373 HA TYR 66 HA TYR 66 6.349 18.253 -20.378 374 HB2 TYR 66 HB2 TYR 66 4.001 18.431 -19.681 375 HB3 TYR 66 HB3 TYR 66 5.132 18.446 -18.341 376 HD1 TYR 66 HD1 TYR 66 2.861 20.527 -20.389 377 HD2 TYR 66 HD2 TYR 66 5.438 20.386 -16.998 378 HE1 TYR 66 HE1 TYR 66 1.955 22.738 -19.667 379 HE2 TYR 66 HE2 TYR 66 4.463 22.574 -16.157 380 HH TYR 66 HH TYR 66 1.987 24.367 -18.019 381 H ASP 67 H ASP 67 4.549 18.067 -21.997 382 HA ASP 67 HA ASP 67 4.942 20.045 -24.088 383 HB2 ASP 67 HB2 ASP 67 4.630 17.460 -24.321 384 HB3 ASP 67 HB3 ASP 67 2.915 17.830 -24.267 385 H GLN 68 H GLN 68 3.451 21.176 -25.196 386 HA GLN 68 HA GLN 68 1.368 22.630 -23.793 387 HB2 GLN 68 HB2 GLN 68 1.843 22.532 -26.792 388 HB3 GLN 68 HB3 GLN 68 1.241 23.869 -25.847 389 HG2 GLN 68 HG2 GLN 68 3.312 24.715 -25.550 390 HG3 GLN 68 HG3 GLN 68 4.010 23.181 -25.071 391 HE21 GLN 68 HE22 GLN 68 4.212 21.478 -27.109 392 HE22 GLN 68 HE21 GLN 68 4.992 22.292 -28.458 393 H GLN 69 H GLN 69 1.566 20.125 -26.299 394 HA GLN 69 HA GLN 69 -1.227 20.110 -26.980 395 HB2 GLN 69 HB2 GLN 69 1.124 18.320 -27.616 396 HB3 GLN 69 HB3 GLN 69 -0.504 17.788 -28.000 397 HG2 GLN 69 HG2 GLN 69 0.479 18.830 -29.944 398 HG3 GLN 69 HG3 GLN 69 -0.923 19.741 -29.390 399 HE21 GLN 69 HE22 GLN 69 2.699 19.713 -28.989 400 HE22 GLN 69 HE21 GLN 69 2.817 21.465 -29.005 401 H GLU 70 H GLU 70 0.677 18.121 -24.724 402 HA GLU 70 HA GLU 70 -1.783 17.189 -23.373 403 HB2 GLU 70 HB2 GLU 70 -1.618 15.472 -24.984 404 HB3 GLU 70 HB3 GLU 70 0.150 15.342 -24.803 405 HG2 GLU 70 HG2 GLU 70 -0.264 14.430 -22.497 406 HG3 GLU 70 HG3 GLU 70 -2.003 14.556 -22.835 407 H GLN 71 H GLN 71 -1.317 18.043 -21.437 408 HA GLN 71 HA GLN 71 1.262 18.657 -20.487 409 HB2 GLN 71 HB2 GLN 71 -1.464 18.417 -19.189 410 HB3 GLN 71 HB3 GLN 71 -0.045 18.821 -18.237 411 HG2 GLN 71 HG2 GLN 71 -1.159 20.855 -18.816 412 HG3 GLN 71 HG3 GLN 71 0.377 20.798 -19.668 413 HE21 GLN 71 HE22 GLN 71 0.339 20.485 -22.056 414 HE22 GLN 71 HE21 GLN 71 -1.136 20.924 -22.904 415 H HIS 72 H HIS 72 -0.526 15.624 -20.096 416 HA HIS 72 HA HIS 72 0.855 14.398 -18.035 417 HB2 HIS 72 HB2 HIS 72 0.287 13.084 -20.739 418 HB3 HIS 72 HB3 HIS 72 0.355 12.292 -19.187 419 HD2 HIS 72 HD2 HIS 72 -1.930 11.614 -18.415 420 HE1 HIS 72 HE1 HIS 72 -4.274 14.514 -20.556 421 HE2 HIS 72 HE2 HIS 72 -4.414 12.502 -18.934 422 H MET 73 H MET 73 2.051 15.167 -21.295 423 HA MET 73 HA MET 73 4.172 13.153 -21.161 424 HB2 MET 73 HB2 MET 73 2.845 13.647 -23.247 425 HB3 MET 73 HB3 MET 73 3.622 15.237 -23.312 426 HG2 MET 73 HG2 MET 73 4.810 13.698 -24.765 427 HG3 MET 73 HG3 MET 73 5.842 14.122 -23.399 428 HE1 MET 73 HE1 MET 73 6.761 11.729 -25.137 429 HE2 MET 73 HE2 MET 73 7.491 12.363 -23.643 430 HE3 MET 73 HE3 MET 73 7.202 10.613 -23.824 431 H VAL 74 H VAL 74 6.056 13.487 -20.267 432 HA VAL 74 HA VAL 74 6.874 16.266 -19.514 433 HB VAL 74 HB VAL 74 7.695 13.599 -18.292 434 HG11 VAL 74 HG11 VAL 74 8.493 15.018 -16.431 435 HG12 VAL 74 HG12 VAL 74 9.314 15.428 -17.931 436 HG13 VAL 74 HG13 VAL 74 8.017 16.470 -17.315 437 HG21 VAL 74 HG21 VAL 74 5.316 13.931 -17.849 438 HG22 VAL 74 HG22 VAL 74 6.224 14.277 -16.387 439 HG23 VAL 74 HG23 VAL 74 5.597 15.620 -17.373 440 H TYR 75 H TYR 75 8.920 16.942 -19.997 441 HA TYR 75 HA TYR 75 10.783 15.306 -21.643 442 HB2 TYR 75 HB2 TYR 75 9.610 18.035 -22.239 443 HB3 TYR 75 HB3 TYR 75 11.118 17.471 -22.959 444 HD1 TYR 75 HD1 TYR 75 11.107 15.071 -23.979 445 HD2 TYR 75 HD2 TYR 75 7.576 17.487 -23.406 446 HE1 TYR 75 HE1 TYR 75 9.915 13.698 -25.638 447 HE2 TYR 75 HE2 TYR 75 6.390 16.137 -25.141 448 HH TYR 75 HH TYR 75 7.964 13.421 -26.872 449 H CYS 76 H CYS 76 12.036 15.061 -19.724 450 HA CYS 76 HA CYS 76 13.122 17.404 -18.309 451 HB2 CYS 76 HB2 CYS 76 13.337 14.412 -17.786 452 HB3 CYS 76 HB3 CYS 76 14.053 15.676 -16.769 453 HG CYS 76 HG CYS 76 11.819 16.962 -16.262 454 H GLY 77 H GLY 77 14.111 16.290 -21.145 455 HA2 GLY 77 HA2 GLY 77 16.787 15.460 -20.907 456 HA3 GLY 77 HA3 GLY 77 16.139 16.368 -22.270 457 H GLY 78 H GLY 78 18.482 16.399 -19.954 458 HA2 GLY 78 HA2 GLY 78 20.165 18.001 -19.671 459 HA3 GLY 78 HA3 GLY 78 19.111 19.264 -20.294 460 H ASP 79 H ASP 79 17.233 17.741 -17.939 461 HA ASP 79 HA ASP 79 18.175 19.562 -15.770 462 HB2 ASP 79 HB2 ASP 79 15.507 18.697 -16.786 463 HB3 ASP 79 HB3 ASP 79 15.685 18.707 -15.054 464 H LEU 80 H LEU 80 17.932 18.772 -13.531 465 HA LEU 80 HA LEU 80 19.517 16.485 -13.113 466 HB2 LEU 80 HB2 LEU 80 18.617 18.571 -11.546 467 HB3 LEU 80 HB3 LEU 80 17.605 17.268 -10.944 468 HG LEU 80 HG LEU 80 19.520 17.538 -9.538 469 HD11 LEU 80 HD11 LEU 80 20.529 15.348 -9.484 470 HD12 LEU 80 HD12 LEU 80 18.812 15.192 -9.872 471 HD13 LEU 80 HD13 LEU 80 20.034 15.020 -11.152 472 HD21 LEU 80 HD21 LEU 80 21.826 17.300 -10.260 473 HD22 LEU 80 HD22 LEU 80 21.315 17.047 -11.939 474 HD23 LEU 80 HD23 LEU 80 21.038 18.613 -11.149 475 H LEU 81 H LEU 81 15.966 16.838 -12.737 476 HA LEU 81 HA LEU 81 15.392 14.216 -12.056 477 HB2 LEU 81 HB2 LEU 81 13.774 16.016 -11.957 478 HB3 LEU 81 HB3 LEU 81 13.804 16.218 -13.707 479 HG LEU 81 HG LEU 81 12.674 14.102 -14.053 480 HD11 LEU 81 HD11 LEU 81 11.853 12.705 -12.235 481 HD12 LEU 81 HD12 LEU 81 13.605 12.751 -12.174 482 HD13 LEU 81 HD13 LEU 81 12.671 13.733 -11.028 483 HD21 LEU 81 HD21 LEU 81 11.297 16.092 -13.546 484 HD22 LEU 81 HD22 LEU 81 10.526 14.603 -12.976 485 HD23 LEU 81 HD23 LEU 81 11.334 15.686 -11.817 486 H GLY 82 H GLY 82 16.019 15.429 -15.351 487 HA2 GLY 82 HA2 GLY 82 15.361 12.953 -16.743 488 HA3 GLY 82 HA3 GLY 82 16.292 14.321 -17.364 489 H GLU 83 H GLU 83 18.387 14.419 -15.444 490 HA GLU 83 HA GLU 83 20.134 12.374 -16.412 491 HB2 GLU 83 HB2 GLU 83 21.619 13.836 -15.778 492 HB3 GLU 83 HB3 GLU 83 20.364 14.825 -15.037 493 HG2 GLU 83 HG2 GLU 83 20.679 13.720 -12.902 494 HG3 GLU 83 HG3 GLU 83 21.850 12.599 -13.606 495 H LEU 84 H LEU 84 18.348 12.660 -13.315 496 HA LEU 84 HA LEU 84 19.313 10.215 -12.227 497 HB2 LEU 84 HB2 LEU 84 18.342 12.031 -10.898 498 HB3 LEU 84 HB3 LEU 84 16.793 11.848 -11.728 499 HG LEU 84 HG LEU 84 16.523 9.580 -10.766 500 HD11 LEU 84 HD11 LEU 84 18.885 8.923 -10.453 501 HD12 LEU 84 HD12 LEU 84 19.098 10.224 -9.261 502 HD13 LEU 84 HD13 LEU 84 18.008 8.855 -8.922 503 HD21 LEU 84 HD21 LEU 84 15.630 11.548 -9.625 504 HD22 LEU 84 HD22 LEU 84 16.130 10.287 -8.483 505 HD23 LEU 84 HD23 LEU 84 17.164 11.725 -8.726 506 H LEU 85 H LEU 85 16.394 10.949 -14.129 507 HA LEU 85 HA LEU 85 15.265 8.306 -14.215 508 HB2 LEU 85 HB2 LEU 85 15.019 10.876 -15.754 509 HB3 LEU 85 HB3 LEU 85 14.512 9.455 -16.601 510 HG LEU 85 HG LEU 85 13.500 9.937 -13.797 511 HD11 LEU 85 HD11 LEU 85 12.996 11.971 -15.079 512 HD12 LEU 85 HD12 LEU 85 12.326 10.991 -16.396 513 HD13 LEU 85 HD13 LEU 85 11.527 11.023 -14.801 514 HD21 LEU 85 HD21 LEU 85 11.619 8.575 -14.605 515 HD22 LEU 85 HD22 LEU 85 12.336 8.505 -16.222 516 HD23 LEU 85 HD23 LEU 85 13.143 7.708 -14.849 517 H GLY 86 H GLY 86 17.882 9.810 -16.107 518 HA2 GLY 86 HA2 GLY 86 19.504 8.827 -17.455 519 HA3 GLY 86 HA3 GLY 86 18.769 7.235 -17.226 520 H ARG 87 H ARG 87 16.602 9.699 -18.135 521 HA ARG 87 HA ARG 87 16.616 9.371 -21.046 522 HB2 ARG 87 HB2 ARG 87 14.343 8.412 -21.152 523 HB3 ARG 87 HB3 ARG 87 15.523 7.306 -20.448 524 HG2 ARG 87 HG2 ARG 87 14.718 7.966 -18.172 525 HG3 ARG 87 HG3 ARG 87 13.428 8.915 -18.914 526 HD2 ARG 87 HD2 ARG 87 13.886 5.933 -19.340 527 HD3 ARG 87 HD3 ARG 87 12.839 6.625 -18.091 528 HE ARG 87 HE ARG 87 11.787 7.836 -20.241 529 HH11 ARG 87 HH11 ARG 87 12.503 4.405 -19.913 530 HH12 ARG 87 HH12 ARG 87 11.219 3.972 -21.006 531 HH21 ARG 87 HH21 ARG 87 10.274 7.247 -21.582 532 HH22 ARG 87 HH22 ARG 87 9.956 5.562 -21.945 533 H GLN 88 H GLN 88 15.547 10.920 -22.066 534 HA GLN 88 HA GLN 88 14.940 13.352 -20.583 535 HB2 GLN 88 HB2 GLN 88 14.632 14.318 -22.757 536 HB3 GLN 88 HB3 GLN 88 16.070 13.286 -22.767 537 HG2 GLN 88 HG2 GLN 88 14.666 11.499 -23.908 538 HG3 GLN 88 HG3 GLN 88 13.354 12.679 -24.011 539 HE21 GLN 88 HE22 GLN 88 13.795 14.711 -25.328 540 HE22 GLN 88 HE21 GLN 88 14.975 14.585 -26.621 541 H SER 89 H SER 89 12.930 10.702 -21.521 542 HA SER 89 HA SER 89 10.534 12.364 -20.842 543 HB2 SER 89 HB2 SER 89 9.389 11.677 -22.928 544 HB3 SER 89 HB3 SER 89 10.820 12.677 -23.213 545 HG SER 89 HG SER 89 10.725 10.830 -24.626 546 H PHE 90 H PHE 90 8.648 11.509 -20.403 547 HA PHE 90 HA PHE 90 7.826 8.740 -20.374 548 HB2 PHE 90 HB2 PHE 90 7.710 8.417 -18.001 549 HB3 PHE 90 HB3 PHE 90 9.381 8.719 -18.428 550 HD1 PHE 90 HD2 PHE 90 10.420 10.980 -17.948 551 HD2 PHE 90 HD1 PHE 90 6.504 9.878 -16.507 552 HE1 PHE 90 HE2 PHE 90 10.463 12.886 -16.386 553 HE2 PHE 90 HE1 PHE 90 6.537 11.787 -14.941 554 HZ PHE 90 HZ PHE 90 8.552 13.264 -14.821 555 H SER 91 H SER 91 5.544 8.833 -18.938 556 HA SER 91 HA SER 91 4.487 11.586 -18.887 557 HB2 SER 91 HB2 SER 91 2.366 10.883 -19.907 558 HB3 SER 91 HB3 SER 91 3.721 10.570 -21.027 559 HG SER 91 HG SER 91 2.634 8.674 -21.005 560 H VAL 92 H VAL 92 2.468 11.828 -17.772 561 HA VAL 92 HA VAL 92 2.157 10.539 -15.251 562 HB VAL 92 HB VAL 92 0.243 12.082 -16.974 563 HG11 VAL 92 HG11 VAL 92 -1.145 12.528 -15.089 564 HG12 VAL 92 HG12 VAL 92 -1.118 10.803 -15.386 565 HG13 VAL 92 HG13 VAL 92 -0.159 11.476 -14.039 566 HG21 VAL 92 HG21 VAL 92 2.227 13.372 -16.226 567 HG22 VAL 92 HG22 VAL 92 0.742 13.961 -15.474 568 HG23 VAL 92 HG23 VAL 92 1.860 12.944 -14.550 569 H LYS 93 H LYS 93 1.011 9.561 -18.456 570 HA LYS 93 HA LYS 93 -0.791 7.442 -17.507 571 HB2 LYS 93 HB2 LYS 93 0.444 7.990 -20.244 572 HB3 LYS 93 HB3 LYS 93 -0.696 6.701 -19.887 573 HG2 LYS 93 HG2 LYS 93 -2.410 8.372 -19.235 574 HG3 LYS 93 HG3 LYS 93 -1.288 9.680 -19.671 575 HD2 LYS 93 HD2 LYS 93 -1.232 8.930 -22.007 576 HD3 LYS 93 HD3 LYS 93 -2.122 7.467 -21.592 577 HE2 LYS 93 HE2 LYS 93 -3.708 8.812 -22.635 578 HE3 LYS 93 HE3 LYS 93 -4.088 8.895 -20.917 579 HZ1 LYS 93 HZ1 LYS 93 -4.182 11.082 -21.956 580 HZ2 LYS 93 HZ2 LYS 93 -2.944 11.096 -20.891 581 HZ3 LYS 93 HZ3 LYS 93 -2.655 10.999 -22.503 582 H ASP 94 H ASP 94 2.633 7.691 -18.250 583 HA ASP 94 HA ASP 94 3.015 4.760 -17.789 584 HB2 ASP 94 HB2 ASP 94 3.297 5.425 -20.125 585 HB3 ASP 94 HB3 ASP 94 4.497 6.631 -19.658 586 HA PRO 95 HA PRO 95 5.290 7.209 -14.544 587 HB2 PRO 95 HB2 PRO 95 4.498 5.865 -12.313 588 HB3 PRO 95 HB3 PRO 95 3.426 7.020 -13.154 589 HG2 PRO 95 HG2 PRO 95 3.482 4.004 -13.476 590 HG3 PRO 95 HG3 PRO 95 2.068 5.054 -13.125 591 HD2 PRO 95 HD2 PRO 95 2.648 4.285 -15.660 592 HD3 PRO 95 HD3 PRO 95 2.059 5.940 -15.314 593 H SER 96 H SER 96 5.452 3.848 -15.402 594 HA SER 96 HA SER 96 6.949 2.577 -13.613 595 HB2 SER 96 HB2 SER 96 7.331 2.369 -16.618 596 HB3 SER 96 HB3 SER 96 7.784 1.139 -15.419 597 HG SER 96 HG SER 96 5.696 0.752 -16.351 598 HA PRO 97 HA PRO 97 11.282 3.773 -15.068 599 HB2 PRO 97 HB2 PRO 97 11.865 6.126 -16.272 600 HB3 PRO 97 HB3 PRO 97 11.381 4.660 -17.178 601 HG2 PRO 97 HG2 PRO 97 9.617 6.984 -16.328 602 HG3 PRO 97 HG3 PRO 97 9.755 6.237 -17.955 603 HD2 PRO 97 HD2 PRO 97 7.795 5.554 -16.263 604 HD3 PRO 97 HD3 PRO 97 8.576 4.315 -17.278 605 H LEU 98 H LEU 98 9.065 6.132 -13.640 606 HA LEU 98 HA LEU 98 10.991 7.584 -12.060 607 HB2 LEU 98 HB2 LEU 98 8.077 6.830 -11.447 608 HB3 LEU 98 HB3 LEU 98 9.002 8.083 -10.669 609 HG LEU 98 HG LEU 98 8.225 8.131 -13.616 610 HD11 LEU 98 HD11 LEU 98 6.558 9.792 -12.947 611 HD12 LEU 98 HD12 LEU 98 6.246 8.245 -12.145 612 HD13 LEU 98 HD13 LEU 98 6.990 9.580 -11.235 613 HD21 LEU 98 HD21 LEU 98 9.332 10.252 -11.738 614 HD22 LEU 98 HD22 LEU 98 10.235 9.466 -13.048 615 HD23 LEU 98 HD23 LEU 98 8.862 10.508 -13.435 616 H TYR 99 H TYR 99 8.978 4.681 -11.493 617 HA TYR 99 HA TYR 99 9.939 4.144 -8.848 618 HB2 TYR 99 HB2 TYR 99 8.544 2.459 -10.965 619 HB3 TYR 99 HB3 TYR 99 8.945 1.852 -9.368 620 HD1 TYR 99 HD1 TYR 99 7.000 4.654 -11.081 621 HD2 TYR 99 HD2 TYR 99 7.572 2.240 -7.522 622 HE1 TYR 99 HE1 TYR 99 4.927 5.586 -10.087 623 HE2 TYR 99 HE2 TYR 99 5.481 3.181 -6.558 624 HH TYR 99 HH TYR 99 3.446 5.543 -8.317 625 H ASP 100 H ASP 100 11.035 3.033 -12.065 626 HA ASP 100 HA ASP 100 13.117 1.315 -11.190 627 HB2 ASP 100 HB2 ASP 100 12.097 1.767 -13.520 628 HB3 ASP 100 HB3 ASP 100 13.267 3.061 -13.626 629 H MET 101 H MET 101 13.100 4.827 -11.642 630 HA MET 101 HA MET 101 15.900 5.006 -10.805 631 HB2 MET 101 HB2 MET 101 16.025 7.233 -11.145 632 HB3 MET 101 HB3 MET 101 15.151 6.528 -12.497 633 HG2 MET 101 HG2 MET 101 14.174 8.589 -11.982 634 HG3 MET 101 HG3 MET 101 13.044 7.325 -11.491 635 HE1 MET 101 HE1 MET 101 12.128 9.925 -10.644 636 HE2 MET 101 HE2 MET 101 11.465 8.505 -9.801 637 HE3 MET 101 HE3 MET 101 11.998 9.911 -8.865 638 H LEU 102 H LEU 102 12.887 5.052 -8.985 639 HA LEU 102 HA LEU 102 14.146 6.266 -6.634 640 HB2 LEU 102 HB2 LEU 102 11.540 4.718 -7.014 641 HB3 LEU 102 HB3 LEU 102 12.086 5.385 -5.482 642 HG LEU 102 HG LEU 102 11.324 6.982 -7.947 643 HD11 LEU 102 HD11 LEU 102 9.455 7.745 -6.569 644 HD12 LEU 102 HD12 LEU 102 9.437 5.981 -6.713 645 HD13 LEU 102 HD13 LEU 102 10.019 6.743 -5.213 646 HD21 LEU 102 HD21 LEU 102 13.055 8.225 -6.827 647 HD22 LEU 102 HD22 LEU 102 11.503 8.974 -6.456 648 HD23 LEU 102 HD23 LEU 102 12.300 7.949 -5.241 649 H ARG 103 H ARG 103 13.419 2.949 -7.853 650 HA ARG 103 HA ARG 103 13.826 1.641 -5.486 651 HB2 ARG 103 HB2 ARG 103 13.876 -0.355 -6.655 652 HB3 ARG 103 HB3 ARG 103 12.825 0.799 -7.510 653 HG2 ARG 103 HG2 ARG 103 14.445 1.114 -9.241 654 HG3 ARG 103 HG3 ARG 103 15.645 0.088 -8.410 655 HD2 ARG 103 HD2 ARG 103 14.088 -1.822 -8.560 656 HD3 ARG 103 HD3 ARG 103 12.877 -0.788 -9.313 657 HE ARG 103 HE ARG 103 14.137 -0.686 -11.341 658 HH11 ARG 103 HH11 ARG 103 15.803 -2.854 -9.111 659 HH12 ARG 103 HH12 ARG 103 16.774 -3.501 -10.406 660 HH21 ARG 103 HH21 ARG 103 15.314 -1.460 -12.799 661 HH22 ARG 103 HH22 ARG 103 16.506 -2.732 -12.511 662 H LYS 104 H LYS 104 16.406 2.635 -7.554 663 HA LYS 104 HA LYS 104 18.478 1.676 -5.662 664 HB2 LYS 104 HB2 LYS 104 19.976 2.504 -7.635 665 HB3 LYS 104 HB3 LYS 104 19.211 0.931 -7.625 666 HG2 LYS 104 HG2 LYS 104 19.191 2.005 -9.829 667 HG3 LYS 104 HG3 LYS 104 17.599 1.584 -9.231 668 HD2 LYS 104 HD2 LYS 104 17.477 3.655 -10.361 669 HD3 LYS 104 HD3 LYS 104 17.146 3.892 -8.641 670 HE2 LYS 104 HE2 LYS 104 18.254 5.775 -9.601 671 HE3 LYS 104 HE3 LYS 104 19.225 5.029 -8.317 672 HZ1 LYS 104 HZ1 LYS 104 20.591 5.581 -10.315 673 HZ2 LYS 104 HZ2 LYS 104 20.609 3.971 -10.073 674 HZ3 LYS 104 HZ3 LYS 104 19.680 4.612 -11.254 675 H ASN 105 H ASN 105 16.863 4.645 -6.129 676 HA ASN 105 HA ASN 105 19.232 6.159 -5.043 677 HB2 ASN 105 HB2 ASN 105 17.573 6.898 -7.131 678 HB3 ASN 105 HB3 ASN 105 16.936 7.784 -5.727 679 HD21 ASN 105 HD22 ASN 105 20.171 6.827 -7.125 680 HD22 ASN 105 HD21 ASN 105 20.883 8.379 -6.769 681 H LEU 106 H LEU 106 15.992 5.133 -4.395 682 HA LEU 106 HA LEU 106 16.059 6.282 -1.633 683 HB2 LEU 106 HB2 LEU 106 14.620 7.591 -2.954 684 HB3 LEU 106 HB3 LEU 106 13.932 6.191 -3.782 685 HG LEU 106 HG LEU 106 12.721 5.527 -1.801 686 HD11 LEU 106 HD11 LEU 106 13.901 8.045 -0.504 687 HD12 LEU 106 HD12 LEU 106 12.603 7.049 0.175 688 HD13 LEU 106 HD13 LEU 106 14.222 6.374 0.018 689 HD21 LEU 106 HD21 LEU 106 11.177 7.453 -1.628 690 HD22 LEU 106 HD22 LEU 106 12.372 8.453 -2.488 691 HD23 LEU 106 HD23 LEU 106 11.611 7.047 -3.289 692 H VAL 107 H VAL 107 16.121 4.839 -0.185 693 HA VAL 107 HA VAL 107 15.096 2.063 -0.620 694 HB VAL 107 HB VAL 107 16.970 3.089 1.542 695 HG11 VAL 107 HG11 VAL 107 15.658 1.126 2.297 696 HG12 VAL 107 HG12 VAL 107 16.088 0.255 0.807 697 HG13 VAL 107 HG13 VAL 107 17.337 0.677 1.997 698 HG21 VAL 107 HG21 VAL 107 18.080 3.084 -0.658 699 HG22 VAL 107 HG22 VAL 107 18.684 1.756 0.336 700 HG23 VAL 107 HG23 VAL 107 17.513 1.426 -0.961 701 H THR 108 H THR 108 13.017 1.940 -0.125 702 HA THR 108 HA THR 108 11.893 3.454 2.179 703 HB THR 108 HB THR 108 10.850 3.792 0.020 704 HG1 THR 108 HG1 THR 108 9.428 4.204 1.516 705 HG21 THR 108 HG21 THR 108 9.937 0.889 0.229 706 HG22 THR 108 HG22 THR 108 9.350 2.089 -0.936 707 HG23 THR 108 HG23 THR 108 11.032 1.547 -1.009 708 H LEU 109 H LEU 109 9.930 2.243 3.135 709 HA LEU 109 HA LEU 109 11.059 0.251 4.896 710 HB2 LEU 109 HB2 LEU 109 9.316 2.062 5.325 711 HB3 LEU 109 HB3 LEU 109 8.122 0.989 4.599 712 HG LEU 109 HG LEU 109 9.881 0.122 6.943 713 HD11 LEU 109 HD11 LEU 109 7.200 1.560 7.072 714 HD12 LEU 109 HD12 LEU 109 8.063 0.837 8.451 715 HD13 LEU 109 HD13 LEU 109 8.775 2.206 7.592 716 HD21 LEU 109 HD21 LEU 109 7.917 -1.321 7.491 717 HD22 LEU 109 HD22 LEU 109 7.113 -0.766 6.006 718 HD23 LEU 109 HD23 LEU 109 8.611 -1.717 5.925 719 H ALA 110 H ALA 110 8.645 0.119 2.303 720 HA ALA 110 HA ALA 110 7.732 -1.447 1.030 721 HB1 ALA 110 HB1 ALA 110 10.110 -1.646 0.342 722 HB2 ALA 110 HB2 ALA 110 10.306 -3.006 1.467 723 HB3 ALA 110 HB3 ALA 110 9.199 -3.139 0.087 724 H THR 111 H THR 111 7.350 -4.008 0.763 725 HA THR 111 HA THR 111 6.457 -5.189 3.339 726 HB THR 111 HB THR 111 4.688 -3.711 2.483 727 HG1 THR 111 HG1 THR 111 3.090 -5.275 2.751 728 HG21 THR 111 HG21 THR 111 4.992 -3.973 0.033 729 HG22 THR 111 HG22 THR 111 4.429 -5.656 0.146 730 HG23 THR 111 HG23 THR 111 3.337 -4.316 0.547 731 HD1 48M 200 HD1 48M 200 2.719 14.923 -12.894 732 HD2 48M 200 HD2 48M 200 3.523 13.179 -9.027 733 HD3 48M 200 HD3 48M 200 -0.118 10.997 -9.098 734 HD4 48M 200 HD4 48M 200 2.205 12.163 -12.507 735 HD5 48M 200 HD5 48M 200 -2.289 13.880 -13.278 736 HE1 48M 200 HE1 48M 200 4.952 14.196 -13.666 737 HE2 48M 200 HE2 48M 200 5.710 12.421 -9.835 738 HE3 48M 200 HE3 48M 200 0.683 8.670 -9.355 739 HE5 48M 200 HE5 48M 200 -3.353 14.669 -15.327 740 HE6 48M 200 HE6 48M 200 -0.359 17.703 -15.750 741 HZ2 48M 200 HZ2 48M 200 2.302 8.107 -11.157 742 HM21 48M 200 HM21 48M 200 1.819 16.211 -16.143 743 HM22 48M 200 HM22 48M 200 3.320 17.141 -16.181 744 HM23 48M 200 HM23 48M 200 3.128 15.821 -15.020 745 HM31 48M 200 HM31 48M 200 3.669 17.394 -13.095 746 HM32 48M 200 HM32 48M 200 3.850 18.776 -14.191 747 HM33 48M 200 HM33 48M 200 2.711 18.857 -12.844 748 HN1 48M 200 HN1 48M 200 -2.866 20.225 -10.101 749 H21 48M 200 H21 48M 200 -2.116 17.924 -8.962 750 H22 48M 200 H22 48M 200 -3.415 17.918 -10.172 751 H31 48M 200 H31 48M 200 -1.631 16.222 -10.571 752 H32 48M 200 H32 48M 200 -1.869 17.332 -11.940 753 H41 48M 200 H41 48M 200 0.632 19.360 -11.886 754 H42 48M 200 H42 48M 200 0.936 19.333 -10.135 755 H7 48M 200 H7 48M 200 -0.107 13.222 -9.643 756 H8 48M 200 H8 48M 200 1.555 14.683 -9.391 757 H9 48M 200 H9 48M 200 1.529 18.465 -15.018 Start of MODEL 19 1 H1 GLN 23 H GLN 23 6.722 15.252 13.573 2 HA GLN 23 HA GLN 23 9.196 15.005 12.078 3 HB2 GLN 23 HB2 GLN 23 10.040 13.009 13.285 4 HB3 GLN 23 HB3 GLN 23 10.163 14.510 14.197 5 HG2 GLN 23 HG2 GLN 23 8.229 13.922 15.573 6 HG3 GLN 23 HG3 GLN 23 7.940 12.459 14.633 7 HE21 GLN 23 HE22 GLN 23 8.557 12.811 17.583 8 HE22 GLN 23 HE21 GLN 23 9.949 11.763 17.826 9 H ILE 24 H ILE 24 9.161 13.445 10.509 10 HA ILE 24 HA ILE 24 6.532 12.273 9.952 11 HB ILE 24 HB ILE 24 9.057 12.801 8.370 12 HG12 ILE 24 HG12 ILE 24 6.190 13.504 7.685 13 HG13 ILE 24 HG13 ILE 24 7.139 14.507 8.792 14 HG21 ILE 24 HG21 ILE 24 8.429 10.600 7.621 15 HG22 ILE 24 HG22 ILE 24 6.732 11.075 7.420 16 HG23 ILE 24 HG23 ILE 24 7.991 11.753 6.365 17 HD11 ILE 24 HD11 ILE 24 7.757 13.969 5.863 18 HD12 ILE 24 HD12 ILE 24 7.221 15.485 6.596 19 HD13 ILE 24 HD13 ILE 24 8.831 14.850 6.981 20 H ASN 25 H ASN 25 9.759 10.995 10.533 21 HA ASN 25 HA ASN 25 10.518 8.984 11.040 22 HB2 ASN 25 HB2 ASN 25 7.677 8.522 11.922 23 HB3 ASN 25 HB3 ASN 25 8.812 7.195 11.886 24 HD21 ASN 25 HD22 ASN 25 9.287 10.589 12.589 25 HD22 ASN 25 HD21 ASN 25 9.965 10.389 14.220 26 H GLN 26 H GLN 26 10.193 9.538 8.465 27 HA GLN 26 HA GLN 26 10.021 6.905 7.116 28 HB2 GLN 26 HB2 GLN 26 8.784 9.331 5.881 29 HB3 GLN 26 HB3 GLN 26 9.072 7.796 5.074 30 HG2 GLN 26 HG2 GLN 26 7.424 7.987 7.594 31 HG3 GLN 26 HG3 GLN 26 6.756 8.096 5.986 32 HE21 GLN 26 HE22 GLN 26 8.833 5.798 7.941 33 HE22 GLN 26 HE21 GLN 26 8.120 4.370 7.185 34 H VAL 27 H VAL 27 10.866 7.609 4.646 35 HA VAL 27 HA VAL 27 13.694 7.662 5.541 36 HB VAL 27 HB VAL 27 14.153 6.264 3.492 37 HG11 VAL 27 HG11 VAL 27 12.065 5.126 5.398 38 HG12 VAL 27 HG12 VAL 27 13.220 4.210 4.406 39 HG13 VAL 27 HG13 VAL 27 13.809 5.243 5.716 40 HG21 VAL 27 HG21 VAL 27 12.409 5.353 2.185 41 HG22 VAL 27 HG22 VAL 27 11.133 5.924 3.281 42 HG23 VAL 27 HG23 VAL 27 12.028 7.071 2.270 43 H ARG 28 H ARG 28 15.431 8.221 4.360 44 HA ARG 28 HA ARG 28 15.149 10.776 2.926 45 HB2 ARG 28 HB2 ARG 28 16.561 10.725 4.867 46 HB3 ARG 28 HB3 ARG 28 17.443 9.318 4.271 47 HG2 ARG 28 HG2 ARG 28 18.354 10.678 2.402 48 HG3 ARG 28 HG3 ARG 28 17.523 12.108 3.038 49 HD2 ARG 28 HD2 ARG 28 19.571 10.429 4.567 50 HD3 ARG 28 HD3 ARG 28 19.994 11.854 3.635 51 HE ARG 28 HE ARG 28 18.608 11.764 6.235 52 HH11 ARG 28 HH11 ARG 28 19.490 13.893 3.541 53 HH12 ARG 28 HH12 ARG 28 19.140 15.313 4.536 54 HH21 ARG 28 HH21 ARG 28 18.310 13.730 7.350 55 HH22 ARG 28 HH22 ARG 28 18.584 15.225 6.449 56 HA PRO 29 HA PRO 29 16.382 8.602 -0.914 57 HB2 PRO 29 HB2 PRO 29 15.952 10.610 -2.671 58 HB3 PRO 29 HB3 PRO 29 14.596 9.743 -1.903 59 HG2 PRO 29 HG2 PRO 29 15.793 12.409 -1.098 60 HG3 PRO 29 HG3 PRO 29 14.066 11.995 -1.322 61 HD2 PRO 29 HD2 PRO 29 15.326 11.974 1.128 62 HD3 PRO 29 HD3 PRO 29 13.969 10.873 0.735 63 H LYS 30 H LYS 30 18.243 8.837 -2.373 64 HA LYS 30 HA LYS 30 20.555 9.946 -1.106 65 HB2 LYS 30 HB2 LYS 30 20.303 8.010 -2.900 66 HB3 LYS 30 HB3 LYS 30 20.567 9.312 -4.067 67 HG2 LYS 30 HG2 LYS 30 22.650 9.885 -2.566 68 HG3 LYS 30 HG3 LYS 30 22.354 8.307 -1.821 69 HD2 LYS 30 HD2 LYS 30 22.790 7.174 -3.914 70 HD3 LYS 30 HD3 LYS 30 22.871 8.726 -4.794 71 HE2 LYS 30 HE2 LYS 30 24.823 9.402 -3.419 72 HE3 LYS 30 HE3 LYS 30 24.729 7.888 -2.514 73 HZ1 LYS 30 HZ1 LYS 30 26.403 7.763 -4.269 74 HZ2 LYS 30 HZ2 LYS 30 25.223 6.687 -4.586 75 HZ3 LYS 30 HZ3 LYS 30 25.310 8.088 -5.431 76 H LEU 31 H LEU 31 22.025 11.593 -1.910 77 HA LEU 31 HA LEU 31 20.851 14.068 -1.932 78 HB2 LEU 31 HB2 LEU 31 23.097 13.605 -1.200 79 HB3 LEU 31 HB3 LEU 31 23.621 13.211 -2.828 80 HG LEU 31 HG LEU 31 23.250 15.554 -3.525 81 HD11 LEU 31 HD11 LEU 31 22.605 16.013 -0.576 82 HD12 LEU 31 HD12 LEU 31 22.950 17.302 -1.746 83 HD13 LEU 31 HD13 LEU 31 21.514 16.294 -1.953 84 HD21 LEU 31 HD21 LEU 31 25.161 16.511 -2.305 85 HD22 LEU 31 HD22 LEU 31 25.006 15.256 -1.054 86 HD23 LEU 31 HD23 LEU 31 25.459 14.815 -2.716 87 HA PRO 32 HA PRO 32 21.258 14.617 -6.739 88 HB2 PRO 32 HB2 PRO 32 20.751 11.745 -7.546 89 HB3 PRO 32 HB3 PRO 32 21.646 13.025 -8.428 90 HG2 PRO 32 HG2 PRO 32 23.010 11.142 -7.063 91 HG3 PRO 32 HG3 PRO 32 23.496 12.864 -6.905 92 HD2 PRO 32 HD2 PRO 32 21.790 11.218 -5.015 93 HD3 PRO 32 HD3 PRO 32 23.164 12.293 -4.655 94 H LEU 33 H LEU 33 19.106 12.115 -5.360 95 HA LEU 33 HA LEU 33 16.702 12.951 -6.830 96 HB2 LEU 33 HB2 LEU 33 17.218 11.166 -4.416 97 HB3 LEU 33 HB3 LEU 33 15.593 11.638 -4.897 98 HG LEU 33 HG LEU 33 15.884 10.513 -7.068 99 HD11 LEU 33 HD11 LEU 33 18.315 10.625 -7.327 100 HD12 LEU 33 HD12 LEU 33 18.553 9.601 -5.893 101 HD13 LEU 33 HD13 LEU 33 17.777 8.942 -7.359 102 HD21 LEU 33 HD21 LEU 33 14.911 9.352 -5.111 103 HD22 LEU 33 HD22 LEU 33 15.821 8.221 -6.135 104 HD23 LEU 33 HD23 LEU 33 16.523 8.812 -4.609 105 H LEU 34 H LEU 34 17.976 13.412 -3.507 106 HA LEU 34 HA LEU 34 15.864 15.009 -2.550 107 HB2 LEU 34 HB2 LEU 34 17.727 13.900 -1.235 108 HB3 LEU 34 HB3 LEU 34 18.817 15.165 -1.797 109 HG LEU 34 HG LEU 34 17.438 16.877 -0.614 110 HD11 LEU 34 HD11 LEU 34 15.777 16.083 1.078 111 HD12 LEU 34 HD12 LEU 34 15.230 15.797 -0.573 112 HD13 LEU 34 HD13 LEU 34 15.880 14.448 0.398 113 HD21 LEU 34 HD21 LEU 34 19.372 15.810 0.494 114 HD22 LEU 34 HD22 LEU 34 18.102 16.211 1.659 115 HD23 LEU 34 HD23 LEU 34 18.310 14.527 1.120 116 H LYS 35 H LYS 35 18.774 16.078 -4.403 117 HA LYS 35 HA LYS 35 18.259 18.851 -4.202 118 HB2 LYS 35 HB2 LYS 35 20.286 17.351 -5.257 119 HB3 LYS 35 HB3 LYS 35 19.440 17.752 -6.744 120 HG2 LYS 35 HG2 LYS 35 21.008 19.509 -6.469 121 HG3 LYS 35 HG3 LYS 35 19.487 20.202 -5.911 122 HD2 LYS 35 HD2 LYS 35 20.835 20.812 -4.111 123 HD3 LYS 35 HD3 LYS 35 20.285 19.233 -3.541 124 HE2 LYS 35 HE2 LYS 35 22.587 19.257 -3.112 125 HE3 LYS 35 HE3 LYS 35 22.393 18.216 -4.524 126 HZ1 LYS 35 HZ1 LYS 35 23.113 20.125 -5.913 127 HZ2 LYS 35 HZ2 LYS 35 23.256 21.076 -4.591 128 HZ3 LYS 35 HZ3 LYS 35 24.245 19.799 -4.788 129 H ILE 36 H ILE 36 16.983 16.575 -6.622 130 HA ILE 36 HA ILE 36 15.574 18.425 -8.322 131 HB ILE 36 HB ILE 36 15.016 15.533 -7.624 132 HG12 ILE 36 HG12 ILE 36 16.206 16.706 -10.165 133 HG13 ILE 36 HG13 ILE 36 17.234 16.295 -8.805 134 HG21 ILE 36 HG21 ILE 36 12.945 16.597 -8.467 135 HG22 ILE 36 HG22 ILE 36 13.842 17.300 -9.827 136 HG23 ILE 36 HG23 ILE 36 13.630 15.544 -9.688 137 HD11 ILE 36 HD11 ILE 36 17.175 14.516 -10.471 138 HD12 ILE 36 HD12 ILE 36 16.629 13.984 -8.865 139 HD13 ILE 36 HD13 ILE 36 15.442 14.265 -10.156 140 H LEU 37 H LEU 37 14.559 16.562 -5.361 141 HA LEU 37 HA LEU 37 11.890 17.531 -5.154 142 HB2 LEU 37 HB2 LEU 37 13.931 16.205 -3.320 143 HB3 LEU 37 HB3 LEU 37 12.343 16.637 -2.726 144 HG LEU 37 HG LEU 37 11.256 15.087 -3.914 145 HD11 LEU 37 HD11 LEU 37 13.465 14.537 -5.887 146 HD12 LEU 37 HD12 LEU 37 11.899 13.725 -5.782 147 HD13 LEU 37 HD13 LEU 37 11.961 15.431 -6.213 148 HD21 LEU 37 HD21 LEU 37 12.710 14.068 -2.223 149 HD22 LEU 37 HD22 LEU 37 12.408 12.942 -3.562 150 HD23 LEU 37 HD23 LEU 37 13.957 13.791 -3.466 151 H HIS 38 H HIS 38 14.906 18.607 -3.544 152 HA HIS 38 HA HIS 38 13.677 20.729 -2.011 153 HB2 HIS 38 HB2 HIS 38 16.483 19.899 -2.754 154 HB3 HIS 38 HB3 HIS 38 16.199 21.461 -1.982 155 HD2 HIS 38 HD2 HIS 38 13.797 18.846 -0.748 156 HE1 HIS 38 HE1 HIS 38 16.726 19.292 2.316 157 HE2 HIS 38 HE2 HIS 38 14.418 18.349 1.770 158 H ALA 39 H ALA 39 15.227 20.710 -5.252 159 HA ALA 39 HA ALA 39 14.985 23.532 -5.671 160 HB1 ALA 39 HB1 ALA 39 15.272 22.868 -8.068 161 HB2 ALA 39 HB2 ALA 39 16.497 22.190 -6.978 162 HB3 ALA 39 HB3 ALA 39 15.172 21.163 -7.549 163 H ALA 40 H ALA 40 12.579 21.016 -5.630 164 HA ALA 40 HA ALA 40 10.582 22.728 -6.909 165 HB1 ALA 40 HB1 ALA 40 9.242 20.895 -6.942 166 HB2 ALA 40 HB2 ALA 40 10.805 20.053 -6.818 167 HB3 ALA 40 HB3 ALA 40 9.814 20.269 -5.376 168 H GLY 41 H GLY 41 11.749 22.123 -3.621 169 HA2 GLY 41 HA2 GLY 41 11.161 23.402 -1.718 170 HA3 GLY 41 HA3 GLY 41 9.629 23.864 -2.452 171 H ALA 42 H ALA 42 11.384 20.934 -1.337 172 HA ALA 42 HA ALA 42 8.970 19.472 -0.648 173 HB1 ALA 42 HB1 ALA 42 11.145 18.431 -1.401 174 HB2 ALA 42 HB2 ALA 42 11.809 18.859 0.206 175 HB3 ALA 42 HB3 ALA 42 10.443 17.745 0.065 176 H GLN 43 H GLN 43 8.575 18.608 1.547 177 HA GLN 43 HA GLN 43 8.729 20.800 3.532 178 HB2 GLN 43 HB2 GLN 43 6.549 19.792 2.574 179 HB3 GLN 43 HB3 GLN 43 6.856 18.430 3.658 180 HG2 GLN 43 HG2 GLN 43 6.851 20.046 5.594 181 HG3 GLN 43 HG3 GLN 43 6.571 21.368 4.464 182 HE21 GLN 43 HE22 GLN 43 4.746 21.347 6.359 183 HE22 GLN 43 HE21 GLN 43 3.246 20.597 5.825 184 H GLY 44 H GLY 44 11.024 19.077 3.164 185 HA2 GLY 44 HA2 GLY 44 12.103 18.729 5.623 186 HA3 GLY 44 HA3 GLY 44 11.129 17.267 5.487 187 H GLU 45 H GLU 45 13.051 16.115 5.709 188 HA GLU 45 HA GLU 45 14.532 15.633 3.141 189 HB2 GLU 45 HB2 GLU 45 15.587 15.647 5.993 190 HB3 GLU 45 HB3 GLU 45 16.478 15.014 4.606 191 HG2 GLU 45 HG2 GLU 45 16.568 17.182 3.550 192 HG3 GLU 45 HG3 GLU 45 15.495 17.888 4.760 193 H MET 46 H MET 46 12.428 14.310 5.374 194 HA MET 46 HA MET 46 13.074 11.425 4.762 195 HB2 MET 46 HB2 MET 46 12.315 12.783 7.375 196 HB3 MET 46 HB3 MET 46 11.863 11.126 7.033 197 HG2 MET 46 HG2 MET 46 13.855 11.033 8.279 198 HG3 MET 46 HG3 MET 46 14.221 10.525 6.640 199 HE1 MET 46 HE1 MET 46 15.636 14.502 8.596 200 HE2 MET 46 HE2 MET 46 13.937 14.258 8.148 201 HE3 MET 46 HE3 MET 46 14.678 13.249 9.413 202 H PHE 47 H PHE 47 11.465 10.841 3.371 203 HA PHE 47 HA PHE 47 8.609 11.384 4.074 204 HB2 PHE 47 HB2 PHE 47 8.976 11.667 1.213 205 HB3 PHE 47 HB3 PHE 47 8.175 12.709 2.362 206 HD1 PHE 47 HD1 PHE 47 11.661 11.783 1.286 207 HD2 PHE 47 HD2 PHE 47 8.963 14.925 2.490 208 HE1 PHE 47 HE1 PHE 47 13.438 13.439 0.933 209 HE2 PHE 47 HE2 PHE 47 10.722 16.606 2.019 210 HZ PHE 47 HZ PHE 47 12.964 15.878 1.212 211 H THR 48 H THR 48 7.144 10.192 2.521 212 HA THR 48 HA THR 48 8.052 7.410 1.997 213 HB THR 48 HB THR 48 5.637 7.091 1.361 214 HG1 THR 48 HG1 THR 48 5.337 9.724 2.367 215 HG21 THR 48 HG21 THR 48 6.593 6.928 3.753 216 HG22 THR 48 HG22 THR 48 5.769 8.471 4.039 217 HG23 THR 48 HG23 THR 48 4.824 7.046 3.528 218 H VAL 49 H VAL 49 7.402 6.390 -0.091 219 HA VAL 49 HA VAL 49 8.542 7.412 -2.407 220 HB VAL 49 HB VAL 49 8.047 5.085 -1.883 221 HG11 VAL 49 HG11 VAL 49 5.654 5.216 -1.269 222 HG12 VAL 49 HG12 VAL 49 5.260 5.547 -2.981 223 HG13 VAL 49 HG13 VAL 49 6.003 4.013 -2.513 224 HG21 VAL 49 HG21 VAL 49 8.833 5.770 -4.091 225 HG22 VAL 49 HG22 VAL 49 7.713 4.411 -4.226 226 HG23 VAL 49 HG23 VAL 49 7.162 6.051 -4.632 227 H LYS 50 H LYS 50 5.197 7.492 -1.300 228 HA LYS 50 HA LYS 50 4.063 8.757 -3.591 229 HB2 LYS 50 HB2 LYS 50 2.074 8.618 -2.316 230 HB3 LYS 50 HB3 LYS 50 3.012 7.146 -2.071 231 HG2 LYS 50 HG2 LYS 50 3.707 7.880 0.115 232 HG3 LYS 50 HG3 LYS 50 2.899 9.449 -0.085 233 HD2 LYS 50 HD2 LYS 50 1.565 8.117 1.344 234 HD3 LYS 50 HD3 LYS 50 0.712 8.213 -0.210 235 HE2 LYS 50 HE2 LYS 50 1.631 5.940 -0.793 236 HE3 LYS 50 HE3 LYS 50 2.441 5.890 0.784 237 HZ1 LYS 50 HZ1 LYS 50 0.310 4.709 0.836 238 HZ2 LYS 50 HZ2 LYS 50 0.236 5.994 1.838 239 HZ3 LYS 50 HZ3 LYS 50 -0.508 6.044 0.384 240 H GLU 51 H GLU 51 5.395 10.076 -0.581 241 HA GLU 51 HA GLU 51 4.650 12.839 -1.209 242 HB2 GLU 51 HB2 GLU 51 6.584 11.587 0.760 243 HB3 GLU 51 HB3 GLU 51 6.330 13.330 0.618 244 HG2 GLU 51 HG2 GLU 51 4.018 13.145 1.239 245 HG3 GLU 51 HG3 GLU 51 4.045 11.392 1.170 246 H VAL 52 H VAL 52 7.801 10.980 -1.381 247 HA VAL 52 HA VAL 52 9.288 13.073 -2.494 248 HB VAL 52 HB VAL 52 10.715 11.428 -3.551 249 HG11 VAL 52 HG11 VAL 52 10.111 10.759 -0.650 250 HG12 VAL 52 HG12 VAL 52 11.661 10.536 -1.481 251 HG13 VAL 52 HG13 VAL 52 11.045 12.175 -1.201 252 HG21 VAL 52 HG21 VAL 52 9.281 9.574 -4.112 253 HG22 VAL 52 HG22 VAL 52 10.646 9.096 -3.126 254 HG23 VAL 52 HG23 VAL 52 9.067 9.306 -2.359 255 H MET 53 H MET 53 7.524 10.585 -4.288 256 HA MET 53 HA MET 53 8.064 11.756 -6.816 257 HB2 MET 53 HB2 MET 53 6.810 10.127 -7.792 258 HB3 MET 53 HB3 MET 53 7.353 9.384 -6.312 259 HG2 MET 53 HG2 MET 53 5.132 8.718 -6.476 260 HG3 MET 53 HG3 MET 53 5.089 10.020 -5.295 261 HE1 MET 53 HE1 MET 53 5.291 10.309 -9.307 262 HE2 MET 53 HE2 MET 53 4.237 8.905 -9.008 263 HE3 MET 53 HE3 MET 53 3.575 10.412 -9.683 264 H HIS 54 H HIS 54 5.632 12.772 -4.481 265 HA HIS 54 HA HIS 54 3.927 14.184 -6.361 266 HB2 HIS 54 HB2 HIS 54 3.187 13.581 -4.094 267 HB3 HIS 54 HB3 HIS 54 4.401 14.646 -3.390 268 HD2 HIS 54 HD2 HIS 54 3.855 17.196 -3.183 269 HE1 HIS 54 HE1 HIS 54 0.111 17.240 -5.229 270 HE2 HIS 54 HE2 HIS 54 1.732 18.619 -3.829 271 H TYR 55 H TYR 55 6.833 15.107 -4.491 272 HA TYR 55 HA TYR 55 6.910 17.825 -5.334 273 HB2 TYR 55 HB2 TYR 55 9.291 16.053 -4.740 274 HB3 TYR 55 HB3 TYR 55 9.268 17.811 -4.740 275 HD1 TYR 55 HD1 TYR 55 7.152 18.768 -3.178 276 HD2 TYR 55 HD2 TYR 55 9.411 15.158 -2.599 277 HE1 TYR 55 HE1 TYR 55 6.364 18.660 -0.822 278 HE2 TYR 55 HE2 TYR 55 8.717 15.096 -0.216 279 HH TYR 55 HH TYR 55 6.381 17.453 1.151 280 H LEU 56 H LEU 56 7.688 14.914 -7.201 281 HA LEU 56 HA LEU 56 9.217 16.269 -9.266 282 HB2 LEU 56 HB2 LEU 56 7.421 13.847 -9.589 283 HB3 LEU 56 HB3 LEU 56 8.710 14.354 -10.663 284 HG LEU 56 HG LEU 56 9.146 13.408 -7.802 285 HD11 LEU 56 HD11 LEU 56 9.864 11.308 -8.773 286 HD12 LEU 56 HD12 LEU 56 8.210 11.651 -9.300 287 HD13 LEU 56 HD13 LEU 56 9.555 11.926 -10.422 288 HD21 LEU 56 HD21 LEU 56 11.505 13.164 -8.534 289 HD22 LEU 56 HD22 LEU 56 11.078 13.910 -10.092 290 HD23 LEU 56 HD23 LEU 56 10.964 14.849 -8.588 291 H GLY 57 H GLY 57 5.698 15.620 -8.821 292 HA2 GLY 57 HA2 GLY 57 4.806 16.689 -11.305 293 HA3 GLY 57 HA3 GLY 57 3.863 16.596 -9.809 294 H GLN 58 H GLN 58 5.086 18.320 -8.083 295 HA GLN 58 HA GLN 58 4.437 20.899 -9.162 296 HB2 GLN 58 HB2 GLN 58 4.640 21.741 -7.082 297 HB3 GLN 58 HB3 GLN 58 4.408 20.043 -6.690 298 HG2 GLN 58 HG2 GLN 58 6.979 19.893 -6.530 299 HG3 GLN 58 HG3 GLN 58 7.029 21.632 -6.716 300 HE21 GLN 58 HE22 GLN 58 7.684 22.277 -4.586 301 HE22 GLN 58 HE21 GLN 58 6.908 21.704 -3.128 302 H TYR 59 H TYR 59 7.586 19.212 -8.820 303 HA TYR 59 HA TYR 59 9.265 21.384 -9.439 304 HB2 TYR 59 HB2 TYR 59 10.086 19.199 -8.638 305 HB3 TYR 59 HB3 TYR 59 9.589 18.436 -10.117 306 HD1 TYR 59 HD1 TYR 59 10.759 18.852 -12.241 307 HD2 TYR 59 HD2 TYR 59 12.091 20.676 -8.565 308 HE1 TYR 59 HE1 TYR 59 13.043 19.120 -13.205 309 HE2 TYR 59 HE2 TYR 59 14.362 20.928 -9.532 310 HH TYR 59 HH TYR 59 15.259 19.650 -12.709 311 H ILE 60 H ILE 60 7.767 18.897 -11.623 312 HA ILE 60 HA ILE 60 8.724 20.011 -14.083 313 HB ILE 60 HB ILE 60 6.248 18.368 -13.464 314 HG12 ILE 60 HG12 ILE 60 8.741 17.237 -14.773 315 HG13 ILE 60 HG13 ILE 60 8.717 17.428 -13.029 316 HG21 ILE 60 HG21 ILE 60 6.357 17.718 -15.904 317 HG22 ILE 60 HG22 ILE 60 5.921 19.392 -15.611 318 HG23 ILE 60 HG23 ILE 60 7.567 19.007 -16.144 319 HD11 ILE 60 HD11 ILE 60 7.928 15.224 -13.475 320 HD12 ILE 60 HD12 ILE 60 6.529 16.170 -12.943 321 HD13 ILE 60 HD13 ILE 60 6.734 15.803 -14.662 322 H MET 61 H MET 61 5.694 20.598 -12.246 323 HA MET 61 HA MET 61 4.482 22.402 -14.067 324 HB2 MET 61 HB2 MET 61 3.497 21.217 -12.098 325 HB3 MET 61 HB3 MET 61 4.266 22.393 -11.033 326 HG2 MET 61 HG2 MET 61 2.265 23.044 -13.235 327 HG3 MET 61 HG3 MET 61 1.850 22.799 -11.547 328 HE1 MET 61 HE1 MET 61 2.607 26.696 -13.453 329 HE2 MET 61 HE2 MET 61 3.060 25.166 -14.242 330 HE3 MET 61 HE3 MET 61 1.393 25.416 -13.675 331 H VAL 62 H VAL 62 6.659 23.216 -11.263 332 HA VAL 62 HA VAL 62 6.733 26.010 -11.961 333 HB VAL 62 HB VAL 62 7.139 25.118 -9.702 334 HG11 VAL 62 HG11 VAL 62 9.345 24.440 -8.957 335 HG12 VAL 62 HG12 VAL 62 8.719 23.305 -10.139 336 HG13 VAL 62 HG13 VAL 62 9.970 24.474 -10.616 337 HG21 VAL 62 HG21 VAL 62 8.826 26.745 -9.068 338 HG22 VAL 62 HG22 VAL 62 9.394 26.855 -10.750 339 HG23 VAL 62 HG23 VAL 62 7.762 27.432 -10.316 340 H LYS 63 H LYS 63 9.010 23.356 -12.676 341 HA LYS 63 HA LYS 63 10.800 25.000 -14.261 342 HB2 LYS 63 HB2 LYS 63 10.465 21.991 -14.083 343 HB3 LYS 63 HB3 LYS 63 11.792 22.812 -14.906 344 HG2 LYS 63 HG2 LYS 63 11.240 22.938 -11.933 345 HG3 LYS 63 HG3 LYS 63 12.483 22.002 -12.762 346 HD2 LYS 63 HD2 LYS 63 13.410 24.268 -13.598 347 HD3 LYS 63 HD3 LYS 63 12.285 25.009 -12.445 348 HE2 LYS 63 HE2 LYS 63 14.157 24.833 -11.110 349 HE3 LYS 63 HE3 LYS 63 13.308 23.331 -10.707 350 HZ1 LYS 63 HZ1 LYS 63 14.827 22.157 -12.270 351 HZ2 LYS 63 HZ2 LYS 63 15.530 23.569 -12.710 352 HZ3 LYS 63 HZ3 LYS 63 15.722 22.999 -11.198 353 H GLN 64 H GLN 64 7.749 23.738 -15.127 354 HA GLN 64 HA GLN 64 6.679 23.079 -16.880 355 HB2 GLN 64 HB2 GLN 64 6.439 24.619 -18.749 356 HB3 GLN 64 HB3 GLN 64 6.241 25.339 -17.163 357 HG2 GLN 64 HG2 GLN 64 9.005 25.575 -17.916 358 HG3 GLN 64 HG3 GLN 64 8.039 26.100 -19.281 359 HE21 GLN 64 HE22 GLN 64 8.210 26.521 -15.650 360 HE22 GLN 64 HE21 GLN 64 7.710 28.179 -15.693 361 H LEU 65 H LEU 65 8.080 21.201 -16.761 362 HA LEU 65 HA LEU 65 9.853 20.906 -19.098 363 HB2 LEU 65 HB2 LEU 65 9.651 19.064 -16.680 364 HB3 LEU 65 HB3 LEU 65 10.693 18.834 -18.061 365 HG LEU 65 HG LEU 65 10.907 21.031 -16.005 366 HD11 LEU 65 HD11 LEU 65 11.623 18.809 -15.254 367 HD12 LEU 65 HD12 LEU 65 12.760 18.723 -16.615 368 HD13 LEU 65 HD13 LEU 65 12.961 19.967 -15.367 369 HD21 LEU 65 HD21 LEU 65 13.055 21.615 -17.136 370 HD22 LEU 65 HD22 LEU 65 12.646 20.490 -18.452 371 HD23 LEU 65 HD23 LEU 65 11.657 21.941 -18.163 372 H TYR 66 H TYR 66 7.101 21.150 -19.537 373 HA TYR 66 HA TYR 66 6.540 18.431 -20.557 374 HB2 TYR 66 HB2 TYR 66 4.115 18.822 -20.272 375 HB3 TYR 66 HB3 TYR 66 5.020 18.685 -18.778 376 HD1 TYR 66 HD2 TYR 66 3.397 21.128 -21.089 377 HD2 TYR 66 HD1 TYR 66 5.127 20.443 -17.242 378 HE1 TYR 66 HE2 TYR 66 2.558 23.359 -20.349 379 HE2 TYR 66 HE1 TYR 66 4.254 22.669 -16.434 380 HH TYR 66 HH TYR 66 3.098 24.586 -17.015 381 H ASP 67 H ASP 67 4.940 18.398 -22.447 382 HA ASP 67 HA ASP 67 5.868 20.322 -24.446 383 HB2 ASP 67 HB2 ASP 67 5.468 17.823 -24.795 384 HB3 ASP 67 HB3 ASP 67 3.750 18.217 -24.866 385 H GLN 68 H GLN 68 4.698 21.713 -25.613 386 HA GLN 68 HA GLN 68 2.538 23.270 -24.509 387 HB2 GLN 68 HB2 GLN 68 3.292 23.203 -27.442 388 HB3 GLN 68 HB3 GLN 68 2.782 24.562 -26.479 389 HG2 GLN 68 HG2 GLN 68 4.903 25.172 -26.089 390 HG3 GLN 68 HG3 GLN 68 5.376 23.592 -25.504 391 HE21 GLN 68 HE22 GLN 68 5.514 21.806 -27.538 392 HE22 GLN 68 HE21 GLN 68 6.518 22.494 -28.804 393 H GLN 69 H GLN 69 2.853 20.712 -26.946 394 HA GLN 69 HA GLN 69 0.036 20.770 -27.748 395 HB2 GLN 69 HB2 GLN 69 2.429 19.060 -28.457 396 HB3 GLN 69 HB3 GLN 69 0.810 18.537 -28.885 397 HG2 GLN 69 HG2 GLN 69 1.784 19.692 -30.762 398 HG3 GLN 69 HG3 GLN 69 0.387 20.576 -30.157 399 HE21 GLN 69 HE22 GLN 69 4.008 20.508 -29.775 400 HE22 GLN 69 HE21 GLN 69 4.142 22.257 -29.705 401 H GLU 70 H GLU 70 1.929 18.867 -25.442 402 HA GLU 70 HA GLU 70 -0.520 17.450 -24.505 403 HB2 GLU 70 HB2 GLU 70 2.069 16.127 -25.418 404 HB3 GLU 70 HB3 GLU 70 0.899 15.364 -24.341 405 HG2 GLU 70 HG2 GLU 70 -0.877 15.757 -26.112 406 HG3 GLU 70 HG3 GLU 70 0.422 16.243 -27.208 407 H GLN 71 H GLN 71 -0.537 18.711 -22.651 408 HA GLN 71 HA GLN 71 1.655 19.380 -21.026 409 HB2 GLN 71 HB2 GLN 71 -1.338 19.105 -20.636 410 HB3 GLN 71 HB3 GLN 71 -0.299 19.523 -19.270 411 HG2 GLN 71 HG2 GLN 71 -1.094 21.562 -20.103 412 HG3 GLN 71 HG3 GLN 71 0.595 21.479 -20.578 413 HE21 GLN 71 HE22 GLN 71 1.043 21.013 -22.980 414 HE22 GLN 71 HE21 GLN 71 -0.197 21.574 -24.088 415 H HIS 72 H HIS 72 -0.171 16.360 -21.046 416 HA HIS 72 HA HIS 72 0.956 15.342 -18.562 417 HB2 HIS 72 HB2 HIS 72 -0.226 13.243 -19.417 418 HB3 HIS 72 HB3 HIS 72 -1.250 14.652 -19.146 419 HD2 HIS 72 HD2 HIS 72 0.339 12.576 -21.974 420 HE1 HIS 72 HE1 HIS 72 -2.327 15.344 -23.849 421 HE2 HIS 72 HE2 HIS 72 -0.771 13.353 -24.265 422 H MET 73 H MET 73 2.312 15.676 -21.666 423 HA MET 73 HA MET 73 4.137 13.340 -21.339 424 HB2 MET 73 HB2 MET 73 3.764 15.275 -23.657 425 HB3 MET 73 HB3 MET 73 5.019 14.048 -23.559 426 HG2 MET 73 HG2 MET 73 2.031 13.539 -23.600 427 HG3 MET 73 HG3 MET 73 3.147 13.300 -24.936 428 HE1 MET 73 HE1 MET 73 5.694 11.857 -23.269 429 HE2 MET 73 HE2 MET 73 5.265 10.191 -23.702 430 HE3 MET 73 HE3 MET 73 5.121 11.484 -24.914 431 H VAL 74 H VAL 74 5.946 13.644 -20.302 432 HA VAL 74 HA VAL 74 6.813 16.413 -19.606 433 HB VAL 74 HB VAL 74 7.618 13.777 -18.312 434 HG11 VAL 74 HG11 VAL 74 8.289 15.257 -16.456 435 HG12 VAL 74 HG12 VAL 74 9.115 15.738 -17.937 436 HG13 VAL 74 HG13 VAL 74 7.729 16.667 -17.350 437 HG21 VAL 74 HG21 VAL 74 5.394 15.727 -17.532 438 HG22 VAL 74 HG22 VAL 74 5.190 14.022 -17.995 439 HG23 VAL 74 HG23 VAL 74 6.016 14.425 -16.494 440 H TYR 75 H TYR 75 8.785 17.111 -20.189 441 HA TYR 75 HA TYR 75 10.710 15.427 -21.710 442 HB2 TYR 75 HB2 TYR 75 9.497 18.086 -22.474 443 HB3 TYR 75 HB3 TYR 75 11.017 17.494 -23.149 444 HD1 TYR 75 HD1 TYR 75 11.106 15.177 -24.179 445 HD2 TYR 75 HD2 TYR 75 7.397 17.216 -23.346 446 HE1 TYR 75 HE1 TYR 75 9.913 13.584 -25.640 447 HE2 TYR 75 HE2 TYR 75 6.202 15.635 -24.865 448 HH TYR 75 HH TYR 75 7.879 12.965 -26.565 449 H CYS 76 H CYS 76 12.062 15.257 -19.958 450 HA CYS 76 HA CYS 76 13.137 17.634 -18.555 451 HB2 CYS 76 HB2 CYS 76 13.398 14.654 -17.974 452 HB3 CYS 76 HB3 CYS 76 14.075 15.962 -16.988 453 HG CYS 76 HG CYS 76 10.908 15.420 -17.741 454 H GLY 77 H GLY 77 13.991 16.574 -21.417 455 HA2 GLY 77 HA2 GLY 77 16.655 15.647 -21.275 456 HA3 GLY 77 HA3 GLY 77 15.981 16.574 -22.616 457 H GLY 78 H GLY 78 18.454 16.551 -20.483 458 HA2 GLY 78 HA2 GLY 78 20.129 18.127 -20.121 459 HA3 GLY 78 HA3 GLY 78 19.095 19.408 -20.742 460 H ASP 79 H ASP 79 17.244 17.830 -18.413 461 HA ASP 79 HA ASP 79 17.982 19.765 -16.274 462 HB2 ASP 79 HB2 ASP 79 15.575 19.448 -17.099 463 HB3 ASP 79 HB3 ASP 79 15.618 17.865 -16.334 464 H LEU 80 H LEU 80 18.094 18.949 -13.978 465 HA LEU 80 HA LEU 80 19.829 16.697 -13.636 466 HB2 LEU 80 HB2 LEU 80 19.434 18.697 -12.027 467 HB3 LEU 80 HB3 LEU 80 17.914 17.863 -11.589 468 HG LEU 80 HG LEU 80 19.130 15.953 -10.717 469 HD11 LEU 80 HD11 LEU 80 21.613 16.024 -10.430 470 HD12 LEU 80 HD12 LEU 80 21.124 15.836 -12.110 471 HD13 LEU 80 HD13 LEU 80 21.675 17.422 -11.529 472 HD21 LEU 80 HD21 LEU 80 20.168 17.019 -8.802 473 HD22 LEU 80 HD22 LEU 80 20.373 18.543 -9.697 474 HD23 LEU 80 HD23 LEU 80 18.748 17.971 -9.279 475 H LEU 81 H LEU 81 16.275 17.183 -13.150 476 HA LEU 81 HA LEU 81 15.693 14.647 -12.275 477 HB2 LEU 81 HB2 LEU 81 14.074 16.432 -12.270 478 HB3 LEU 81 HB3 LEU 81 14.090 16.546 -14.023 479 HG LEU 81 HG LEU 81 12.906 14.472 -14.287 480 HD11 LEU 81 HD11 LEU 81 13.043 14.134 -11.266 481 HD12 LEU 81 HD12 LEU 81 12.038 13.166 -12.365 482 HD13 LEU 81 HD13 LEU 81 13.791 13.077 -12.469 483 HD21 LEU 81 HD21 LEU 81 11.598 16.515 -13.774 484 HD22 LEU 81 HD22 LEU 81 10.786 15.050 -13.204 485 HD23 LEU 81 HD23 LEU 81 11.634 16.103 -12.047 486 H GLY 82 H GLY 82 16.105 15.649 -15.689 487 HA2 GLY 82 HA2 GLY 82 15.426 13.092 -16.876 488 HA3 GLY 82 HA3 GLY 82 16.276 14.431 -17.649 489 H GLU 83 H GLU 83 18.571 14.678 -16.071 490 HA GLU 83 HA GLU 83 20.215 12.595 -17.104 491 HB2 GLU 83 HB2 GLU 83 21.792 14.052 -16.698 492 HB3 GLU 83 HB3 GLU 83 20.596 15.115 -15.973 493 HG2 GLU 83 HG2 GLU 83 21.102 14.251 -13.749 494 HG3 GLU 83 HG3 GLU 83 22.231 13.075 -14.429 495 H LEU 84 H LEU 84 18.749 13.017 -13.937 496 HA LEU 84 HA LEU 84 19.946 10.723 -12.703 497 HB2 LEU 84 HB2 LEU 84 19.050 12.697 -11.536 498 HB3 LEU 84 HB3 LEU 84 17.422 12.315 -12.068 499 HG LEU 84 HG LEU 84 17.886 11.798 -9.759 500 HD11 LEU 84 HD11 LEU 84 17.336 9.163 -11.093 501 HD12 LEU 84 HD12 LEU 84 16.746 9.781 -9.550 502 HD13 LEU 84 HD13 LEU 84 16.176 10.518 -11.060 503 HD21 LEU 84 HD21 LEU 84 19.747 9.599 -10.794 504 HD22 LEU 84 HD22 LEU 84 20.268 11.082 -9.963 505 HD23 LEU 84 HD23 LEU 84 19.316 9.849 -9.114 506 H LEU 85 H LEU 85 16.631 11.235 -13.877 507 HA LEU 85 HA LEU 85 15.588 8.642 -14.014 508 HB2 LEU 85 HB2 LEU 85 15.297 11.039 -15.878 509 HB3 LEU 85 HB3 LEU 85 14.634 9.517 -16.357 510 HG LEU 85 HG LEU 85 13.963 10.648 -13.655 511 HD11 LEU 85 HD11 LEU 85 11.887 11.501 -14.670 512 HD12 LEU 85 HD12 LEU 85 13.315 12.317 -15.333 513 HD13 LEU 85 HD13 LEU 85 12.499 11.064 -16.288 514 HD21 LEU 85 HD21 LEU 85 12.395 8.780 -15.490 515 HD22 LEU 85 HD22 LEU 85 13.497 8.182 -14.232 516 HD23 LEU 85 HD23 LEU 85 12.105 9.144 -13.775 517 H GLY 86 H GLY 86 18.054 10.007 -16.202 518 HA2 GLY 86 HA2 GLY 86 19.551 8.901 -17.609 519 HA3 GLY 86 HA3 GLY 86 18.759 7.353 -17.284 520 H ARG 87 H ARG 87 16.696 9.973 -18.143 521 HA ARG 87 HA ARG 87 16.572 9.520 -21.028 522 HB2 ARG 87 HB2 ARG 87 14.428 8.544 -21.197 523 HB3 ARG 87 HB3 ARG 87 15.330 7.553 -20.065 524 HG2 ARG 87 HG2 ARG 87 14.135 9.317 -18.332 525 HG3 ARG 87 HG3 ARG 87 12.967 9.350 -19.621 526 HD2 ARG 87 HD2 ARG 87 12.343 7.746 -17.947 527 HD3 ARG 87 HD3 ARG 87 12.730 6.884 -19.449 528 HE ARG 87 HE ARG 87 14.730 7.180 -17.201 529 HH11 ARG 87 HH11 ARG 87 13.092 4.934 -19.360 530 HH12 ARG 87 HH12 ARG 87 14.069 3.605 -18.808 531 HH21 ARG 87 HH21 ARG 87 15.911 5.530 -16.610 532 HH22 ARG 87 HH22 ARG 87 15.624 3.922 -17.244 533 H GLN 88 H GLN 88 15.386 10.954 -22.087 534 HA GLN 88 HA GLN 88 14.945 13.557 -20.784 535 HB2 GLN 88 HB2 GLN 88 14.623 14.383 -23.002 536 HB3 GLN 88 HB3 GLN 88 16.036 13.319 -22.981 537 HG2 GLN 88 HG2 GLN 88 14.575 11.500 -23.981 538 HG3 GLN 88 HG3 GLN 88 13.278 12.694 -24.118 539 HE21 GLN 88 HE22 GLN 88 13.720 14.647 -25.551 540 HE22 GLN 88 HE21 GLN 88 14.856 14.425 -26.872 541 H SER 89 H SER 89 12.883 10.867 -21.563 542 HA SER 89 HA SER 89 10.558 12.551 -20.760 543 HB2 SER 89 HB2 SER 89 9.264 11.944 -22.786 544 HB3 SER 89 HB3 SER 89 10.723 12.874 -23.158 545 HG SER 89 HG SER 89 10.420 11.015 -24.550 546 H PHE 90 H PHE 90 8.643 11.750 -20.342 547 HA PHE 90 HA PHE 90 7.861 8.964 -20.192 548 HB2 PHE 90 HB2 PHE 90 7.661 8.834 -17.781 549 HB3 PHE 90 HB3 PHE 90 9.336 9.026 -18.244 550 HD1 PHE 90 HD1 PHE 90 10.563 11.166 -17.807 551 HD2 PHE 90 HD2 PHE 90 6.499 10.535 -16.478 552 HE1 PHE 90 HE1 PHE 90 10.751 13.104 -16.300 553 HE2 PHE 90 HE2 PHE 90 6.707 12.454 -14.936 554 HZ PHE 90 HZ PHE 90 8.866 13.698 -14.770 555 H SER 91 H SER 91 5.575 9.064 -18.814 556 HA SER 91 HA SER 91 4.270 11.718 -19.183 557 HB2 SER 91 HB2 SER 91 2.512 10.890 -20.363 558 HB3 SER 91 HB3 SER 91 3.826 9.919 -21.039 559 HG SER 91 HG SER 91 2.191 8.509 -20.529 560 H VAL 92 H VAL 92 2.258 11.993 -17.898 561 HA VAL 92 HA VAL 92 2.439 10.980 -15.256 562 HB VAL 92 HB VAL 92 0.542 12.224 -14.802 563 HG11 VAL 92 HG11 VAL 92 2.500 13.584 -15.534 564 HG12 VAL 92 HG12 VAL 92 1.741 13.724 -17.139 565 HG13 VAL 92 HG13 VAL 92 0.937 14.395 -15.721 566 HG21 VAL 92 HG21 VAL 92 -0.943 13.184 -16.667 567 HG22 VAL 92 HG22 VAL 92 -0.218 11.935 -17.708 568 HG23 VAL 92 HG23 VAL 92 -1.146 11.477 -16.272 569 H LYS 93 H LYS 93 1.158 9.498 -18.056 570 HA LYS 93 HA LYS 93 -0.574 7.581 -16.560 571 HB2 LYS 93 HB2 LYS 93 -0.221 8.126 -19.536 572 HB3 LYS 93 HB3 LYS 93 -1.210 6.826 -18.864 573 HG2 LYS 93 HG2 LYS 93 -2.567 8.486 -17.614 574 HG3 LYS 93 HG3 LYS 93 -1.660 9.805 -18.354 575 HD2 LYS 93 HD2 LYS 93 -3.185 7.706 -19.950 576 HD3 LYS 93 HD3 LYS 93 -3.938 9.190 -19.398 577 HE2 LYS 93 HE2 LYS 93 -1.412 9.237 -21.104 578 HE3 LYS 93 HE3 LYS 93 -3.009 9.054 -21.824 579 HZ1 LYS 93 HZ1 LYS 93 -2.235 11.377 -20.126 580 HZ2 LYS 93 HZ2 LYS 93 -2.360 11.395 -21.758 581 HZ3 LYS 93 HZ3 LYS 93 -3.686 11.160 -20.845 582 H ASP 94 H ASP 94 2.625 7.868 -17.574 583 HA ASP 94 HA ASP 94 3.095 4.933 -17.304 584 HB2 ASP 94 HB2 ASP 94 3.233 5.629 -19.652 585 HB3 ASP 94 HB3 ASP 94 4.414 6.871 -19.233 586 HA PRO 95 HA PRO 95 5.514 7.424 -14.178 587 HB2 PRO 95 HB2 PRO 95 4.826 6.080 -11.908 588 HB3 PRO 95 HB3 PRO 95 3.753 7.287 -12.662 589 HG2 PRO 95 HG2 PRO 95 3.673 4.272 -12.991 590 HG3 PRO 95 HG3 PRO 95 2.321 5.376 -12.573 591 HD2 PRO 95 HD2 PRO 95 2.748 4.559 -15.133 592 HD3 PRO 95 HD3 PRO 95 2.210 6.227 -14.773 593 H SER 96 H SER 96 5.566 4.088 -15.103 594 HA SER 96 HA SER 96 7.166 2.747 -13.442 595 HB2 SER 96 HB2 SER 96 7.364 2.657 -16.470 596 HB3 SER 96 HB3 SER 96 7.912 1.391 -15.351 597 HG SER 96 HG SER 96 5.770 1.011 -16.166 598 HA PRO 97 HA PRO 97 11.409 4.097 -15.095 599 HB2 PRO 97 HB2 PRO 97 11.821 6.539 -16.216 600 HB3 PRO 97 HB3 PRO 97 11.400 5.076 -17.163 601 HG2 PRO 97 HG2 PRO 97 9.527 7.258 -16.184 602 HG3 PRO 97 HG3 PRO 97 9.655 6.565 -17.836 603 HD2 PRO 97 HD2 PRO 97 7.796 5.709 -16.118 604 HD3 PRO 97 HD3 PRO 97 8.636 4.546 -17.173 605 H LEU 98 H LEU 98 9.200 6.483 -13.597 606 HA LEU 98 HA LEU 98 11.209 7.852 -12.032 607 HB2 LEU 98 HB2 LEU 98 8.303 7.267 -11.239 608 HB3 LEU 98 HB3 LEU 98 9.304 8.594 -10.730 609 HG LEU 98 HG LEU 98 8.109 8.259 -13.516 610 HD11 LEU 98 HD11 LEU 98 7.327 10.090 -11.215 611 HD12 LEU 98 HD12 LEU 98 6.577 10.020 -12.827 612 HD13 LEU 98 HD13 LEU 98 6.434 8.640 -11.733 613 HD21 LEU 98 HD21 LEU 98 10.018 9.581 -13.794 614 HD22 LEU 98 HD22 LEU 98 8.709 10.738 -13.616 615 HD23 LEU 98 HD23 LEU 98 9.792 10.432 -12.243 616 H TYR 99 H TYR 99 8.947 5.112 -11.402 617 HA TYR 99 HA TYR 99 9.971 4.593 -8.795 618 HB2 TYR 99 HB2 TYR 99 8.298 2.976 -10.751 619 HB3 TYR 99 HB3 TYR 99 8.768 2.344 -9.182 620 HD1 TYR 99 HD2 TYR 99 6.923 5.222 -10.799 621 HD2 TYR 99 HD1 TYR 99 7.643 2.951 -7.190 622 HE1 TYR 99 HE2 TYR 99 5.069 6.424 -9.656 623 HE2 TYR 99 HE1 TYR 99 5.774 4.146 -6.070 624 HH TYR 99 HH TYR 99 4.107 5.724 -6.281 625 H ASP 100 H ASP 100 11.108 3.594 -11.955 626 HA ASP 100 HA ASP 100 12.974 1.562 -11.064 627 HB2 ASP 100 HB2 ASP 100 12.058 1.933 -13.401 628 HB3 ASP 100 HB3 ASP 100 13.165 3.282 -13.521 629 H MET 101 H MET 101 13.202 5.047 -11.745 630 HA MET 101 HA MET 101 15.978 5.303 -11.009 631 HB2 MET 101 HB2 MET 101 15.787 7.455 -11.590 632 HB3 MET 101 HB3 MET 101 14.226 6.981 -12.237 633 HG2 MET 101 HG2 MET 101 13.324 7.542 -9.876 634 HG3 MET 101 HG3 MET 101 14.844 8.356 -9.603 635 HE1 MET 101 HE1 MET 101 11.583 10.728 -10.161 636 HE2 MET 101 HE2 MET 101 11.522 8.996 -9.728 637 HE3 MET 101 HE3 MET 101 12.661 10.087 -8.901 638 H LEU 102 H LEU 102 13.040 5.109 -8.993 639 HA LEU 102 HA LEU 102 14.408 6.190 -6.632 640 HB2 LEU 102 HB2 LEU 102 11.656 4.925 -7.005 641 HB3 LEU 102 HB3 LEU 102 12.286 5.541 -5.486 642 HG LEU 102 HG LEU 102 11.632 7.179 -7.955 643 HD11 LEU 102 HD11 LEU 102 10.406 7.191 -5.178 644 HD12 LEU 102 HD12 LEU 102 9.899 8.165 -6.575 645 HD13 LEU 102 HD13 LEU 102 9.697 6.407 -6.611 646 HD21 LEU 102 HD21 LEU 102 12.074 9.171 -6.518 647 HD22 LEU 102 HD22 LEU 102 12.831 8.095 -5.325 648 HD23 LEU 102 HD23 LEU 102 13.520 8.264 -6.962 649 H ARG 103 H ARG 103 13.145 2.977 -7.743 650 HA ARG 103 HA ARG 103 13.561 1.642 -5.449 651 HB2 ARG 103 HB2 ARG 103 13.312 -0.349 -6.592 652 HB3 ARG 103 HB3 ARG 103 12.414 0.919 -7.451 653 HG2 ARG 103 HG2 ARG 103 14.171 1.014 -9.168 654 HG3 ARG 103 HG3 ARG 103 15.080 -0.272 -8.338 655 HD2 ARG 103 HD2 ARG 103 13.160 -1.781 -8.562 656 HD3 ARG 103 HD3 ARG 103 12.210 -0.500 -9.317 657 HE ARG 103 HE ARG 103 13.829 -0.505 -11.229 658 HH11 ARG 103 HH11 ARG 103 13.724 -3.506 -9.376 659 HH12 ARG 103 HH12 ARG 103 14.305 -4.415 -10.746 660 HH21 ARG 103 HH21 ARG 103 14.481 -1.619 -12.788 661 HH22 ARG 103 HH22 ARG 103 14.748 -3.364 -12.691 662 H LYS 104 H LYS 104 16.207 2.232 -7.629 663 HA LYS 104 HA LYS 104 18.132 0.778 -5.926 664 HB2 LYS 104 HB2 LYS 104 19.716 1.668 -7.810 665 HB3 LYS 104 HB3 LYS 104 18.739 0.222 -7.977 666 HG2 LYS 104 HG2 LYS 104 18.749 1.510 -10.028 667 HG3 LYS 104 HG3 LYS 104 17.132 1.404 -9.367 668 HD2 LYS 104 HD2 LYS 104 17.547 3.644 -10.231 669 HD3 LYS 104 HD3 LYS 104 17.294 3.687 -8.487 670 HE2 LYS 104 HE2 LYS 104 18.995 5.237 -9.120 671 HE3 LYS 104 HE3 LYS 104 19.678 3.989 -8.083 672 HZ1 LYS 104 HZ1 LYS 104 19.939 4.075 -11.067 673 HZ2 LYS 104 HZ2 LYS 104 21.113 4.494 -10.020 674 HZ3 LYS 104 HZ3 LYS 104 20.630 2.941 -10.109 675 H ASN 105 H ASN 105 17.116 4.030 -6.051 676 HA ASN 105 HA ASN 105 19.609 4.983 -4.627 677 HB2 ASN 105 HB2 ASN 105 17.532 6.321 -6.346 678 HB3 ASN 105 HB3 ASN 105 18.256 7.245 -5.026 679 HD21 ASN 105 HD22 ASN 105 20.863 6.545 -4.925 680 HD22 ASN 105 HD21 ASN 105 21.624 6.769 -6.483 681 H LEU 106 H LEU 106 16.131 4.591 -4.386 682 HA LEU 106 HA LEU 106 16.124 5.276 -1.473 683 HB2 LEU 106 HB2 LEU 106 15.165 7.078 -2.747 684 HB3 LEU 106 HB3 LEU 106 14.274 5.962 -3.782 685 HG LEU 106 HG LEU 106 12.832 5.318 -1.894 686 HD11 LEU 106 HD11 LEU 106 14.236 7.603 -0.416 687 HD12 LEU 106 HD12 LEU 106 12.789 6.743 0.130 688 HD13 LEU 106 HD13 LEU 106 14.332 5.887 0.038 689 HD21 LEU 106 HD21 LEU 106 12.070 7.002 -3.404 690 HD22 LEU 106 HD22 LEU 106 11.571 7.420 -1.760 691 HD23 LEU 106 HD23 LEU 106 12.938 8.278 -2.514 692 H VAL 107 H VAL 107 15.370 3.803 -0.176 693 HA VAL 107 HA VAL 107 13.383 1.782 -1.088 694 HB VAL 107 HB VAL 107 15.731 1.158 0.752 695 HG11 VAL 107 HG11 VAL 107 14.912 -1.184 0.592 696 HG12 VAL 107 HG12 VAL 107 13.728 -0.140 1.372 697 HG13 VAL 107 HG13 VAL 107 13.498 -0.627 -0.326 698 HG21 VAL 107 HG21 VAL 107 15.163 0.227 -2.097 699 HG22 VAL 107 HG22 VAL 107 16.508 1.264 -1.576 700 HG23 VAL 107 HG23 VAL 107 16.441 -0.415 -1.041 701 H THR 108 H THR 108 11.677 1.490 0.343 702 HA THR 108 HA THR 108 11.631 3.327 2.698 703 HB THR 108 HB THR 108 10.326 4.233 0.955 704 HG1 THR 108 HG1 THR 108 8.413 4.413 2.044 705 HG21 THR 108 HG21 THR 108 8.826 1.581 0.855 706 HG22 THR 108 HG22 THR 108 8.287 3.086 0.075 707 HG23 THR 108 HG23 THR 108 9.780 2.312 -0.456 708 H LEU 109 H LEU 109 10.038 2.934 4.282 709 HA LEU 109 HA LEU 109 10.040 0.147 5.312 710 HB2 LEU 109 HB2 LEU 109 9.066 2.698 6.575 711 HB3 LEU 109 HB3 LEU 109 9.151 1.106 7.327 712 HG LEU 109 HG LEU 109 11.482 2.864 6.457 713 HD11 LEU 109 HD11 LEU 109 10.635 1.642 9.101 714 HD12 LEU 109 HD12 LEU 109 12.026 2.728 8.849 715 HD13 LEU 109 HD13 LEU 109 10.373 3.335 8.618 716 HD21 LEU 109 HD21 LEU 109 12.173 0.579 5.901 717 HD22 LEU 109 HD22 LEU 109 12.977 1.089 7.384 718 HD23 LEU 109 HD23 LEU 109 11.584 -0.013 7.473 719 H ALA 110 H ALA 110 8.036 2.079 3.351 720 HA ALA 110 HA ALA 110 5.426 1.343 4.167 721 HB1 ALA 110 HB1 ALA 110 4.811 2.073 1.892 722 HB2 ALA 110 HB2 ALA 110 5.988 3.190 2.619 723 HB3 ALA 110 HB3 ALA 110 6.517 2.008 1.400 724 H THR 111 H THR 111 4.065 -0.327 3.671 725 HA THR 111 HA THR 111 4.959 -2.608 1.995 726 HB THR 111 HB THR 111 5.845 -2.897 4.273 727 HG1 THR 111 HG1 THR 111 5.125 -5.030 4.404 728 HG21 THR 111 HG21 THR 111 4.407 -3.514 6.140 729 HG22 THR 111 HG22 THR 111 4.037 -1.865 5.624 730 HG23 THR 111 HG23 THR 111 2.947 -3.199 5.181 731 HD1 48M 200 HD1 48M 200 2.404 15.172 -13.221 732 HD2 48M 200 HD2 48M 200 2.842 13.670 -9.199 733 HD3 48M 200 HD3 48M 200 -0.700 11.942 -9.044 734 HD4 48M 200 HD4 48M 200 1.597 12.397 -12.651 735 HD5 48M 200 HD5 48M 200 -2.326 14.340 -14.144 736 HE1 48M 200 HE1 48M 200 4.657 14.333 -13.770 737 HE2 48M 200 HE2 48M 200 5.082 12.821 -9.777 738 HE3 48M 200 HE3 48M 200 0.031 9.584 -8.881 739 HE5 48M 200 HE5 48M 200 -3.076 15.103 -16.340 740 HE6 48M 200 HE6 48M 200 0.034 18.045 -16.422 741 HZ2 48M 200 HZ2 48M 200 1.596 8.647 -10.569 742 HM21 48M 200 HM21 48M 200 3.314 16.158 -15.290 743 HM22 48M 200 HM22 48M 200 2.160 16.600 -16.557 744 HM23 48M 200 HM23 48M 200 3.670 17.497 -16.393 745 HM31 48M 200 HM31 48M 200 2.710 19.126 -13.090 746 HM32 48M 200 HM32 48M 200 3.699 17.680 -13.322 747 HM33 48M 200 HM33 48M 200 3.970 19.119 -14.325 748 HN1 48M 200 HN1 48M 200 -3.067 20.946 -11.358 749 H21 48M 200 H21 48M 200 -2.625 18.670 -10.025 750 H22 48M 200 H22 48M 200 -3.716 18.664 -11.425 751 H31 48M 200 H31 48M 200 -1.981 16.875 -11.462 752 H32 48M 200 H32 48M 200 -1.947 17.924 -12.898 753 H41 48M 200 H41 48M 200 0.613 19.845 -12.532 754 H42 48M 200 H42 48M 200 0.645 19.883 -10.755 755 H7 48M 200 H7 48M 200 -0.783 13.978 -10.132 756 H8 48M 200 H8 48M 200 1.025 15.270 -9.769 757 H9 48M 200 H9 48M 200 1.777 18.836 -15.415 Start of MODEL 20 1 H1 GLN 23 H GLN 23 5.275 15.378 12.934 2 HA GLN 23 HA GLN 23 7.329 15.234 11.800 3 HB2 GLN 23 HB2 GLN 23 7.503 13.151 14.021 4 HB3 GLN 23 HB3 GLN 23 8.893 13.923 13.238 5 HG2 GLN 23 HG2 GLN 23 8.092 16.150 14.004 6 HG3 GLN 23 HG3 GLN 23 6.751 15.375 14.851 7 HE21 GLN 23 HE22 GLN 23 8.155 16.881 16.488 8 HE22 GLN 23 HE21 GLN 23 9.270 15.930 17.462 9 H ILE 24 H ILE 24 5.335 13.423 10.678 10 HA ILE 24 HA ILE 24 4.970 11.945 9.072 11 HB ILE 24 HB ILE 24 7.678 13.028 8.359 12 HG12 ILE 24 HG12 ILE 24 4.960 13.273 7.001 13 HG13 ILE 24 HG13 ILE 24 5.544 14.377 8.249 14 HG21 ILE 24 HG21 ILE 24 7.493 11.958 6.095 15 HG22 ILE 24 HG22 ILE 24 7.812 10.823 7.397 16 HG23 ILE 24 HG23 ILE 24 6.174 10.949 6.717 17 HD11 ILE 24 HD11 ILE 24 7.504 14.951 6.782 18 HD12 ILE 24 HD12 ILE 24 6.743 13.995 5.484 19 HD13 ILE 24 HD13 ILE 24 5.921 15.419 6.132 20 H ASN 25 H ASN 25 8.095 10.977 10.418 21 HA ASN 25 HA ASN 25 8.902 8.991 11.024 22 HB2 ASN 25 HB2 ASN 25 6.002 8.189 11.090 23 HB3 ASN 25 HB3 ASN 25 7.296 7.053 11.386 24 HD21 ASN 25 HD22 ASN 25 7.225 10.447 12.240 25 HD22 ASN 25 HD21 ASN 25 7.259 10.223 14.003 26 H GLN 26 H GLN 26 9.407 9.590 8.543 27 HA GLN 26 HA GLN 26 9.501 7.063 7.054 28 HB2 GLN 26 HB2 GLN 26 7.568 8.730 6.273 29 HB3 GLN 26 HB3 GLN 26 8.905 9.346 5.292 30 HG2 GLN 26 HG2 GLN 26 7.824 7.563 4.061 31 HG3 GLN 26 HG3 GLN 26 9.345 6.920 4.569 32 HE21 GLN 26 HE22 GLN 26 9.264 4.853 5.530 33 HE22 GLN 26 HE21 GLN 26 7.822 4.233 6.316 34 H VAL 27 H VAL 27 10.892 7.788 4.818 35 HA VAL 27 HA VAL 27 13.554 8.310 6.064 36 HB VAL 27 HB VAL 27 14.412 6.834 4.222 37 HG11 VAL 27 HG11 VAL 27 13.594 4.717 5.044 38 HG12 VAL 27 HG12 VAL 27 13.826 5.835 6.398 39 HG13 VAL 27 HG13 VAL 27 12.188 5.495 5.800 40 HG21 VAL 27 HG21 VAL 27 12.490 7.348 2.603 41 HG22 VAL 27 HG22 VAL 27 13.145 5.724 2.694 42 HG23 VAL 27 HG23 VAL 27 11.585 6.096 3.481 43 H ARG 28 H ARG 28 15.300 9.123 4.733 44 HA ARG 28 HA ARG 28 14.377 11.078 2.742 45 HB2 ARG 28 HB2 ARG 28 16.309 12.292 3.083 46 HB3 ARG 28 HB3 ARG 28 15.672 11.885 4.670 47 HG2 ARG 28 HG2 ARG 28 17.447 10.196 4.966 48 HG3 ARG 28 HG3 ARG 28 18.074 10.558 3.337 49 HD2 ARG 28 HD2 ARG 28 18.435 12.914 3.987 50 HD3 ARG 28 HD3 ARG 28 17.837 12.567 5.621 51 HE ARG 28 HE ARG 28 19.918 10.754 5.202 52 HH11 ARG 28 HH11 ARG 28 19.684 14.283 5.264 53 HH12 ARG 28 HH12 ARG 28 21.339 14.443 5.799 54 HH21 ARG 28 HH21 ARG 28 22.012 11.073 5.876 55 HH22 ARG 28 HH22 ARG 28 22.613 12.685 6.132 56 HA PRO 29 HA PRO 29 16.199 8.607 -0.556 57 HB2 PRO 29 HB2 PRO 29 15.996 10.355 -2.594 58 HB3 PRO 29 HB3 PRO 29 14.545 9.647 -1.839 59 HG2 PRO 29 HG2 PRO 29 15.763 12.378 -1.296 60 HG3 PRO 29 HG3 PRO 29 14.053 11.977 -1.626 61 HD2 PRO 29 HD2 PRO 29 15.057 12.254 0.909 62 HD3 PRO 29 HD3 PRO 29 13.724 11.123 0.517 63 H LYS 30 H LYS 30 18.085 8.815 -2.108 64 HA LYS 30 HA LYS 30 20.424 9.860 -0.808 65 HB2 LYS 30 HB2 LYS 30 20.179 7.891 -2.519 66 HB3 LYS 30 HB3 LYS 30 20.349 9.141 -3.760 67 HG2 LYS 30 HG2 LYS 30 22.523 9.825 -2.549 68 HG3 LYS 30 HG3 LYS 30 22.290 8.400 -1.523 69 HD2 LYS 30 HD2 LYS 30 22.459 6.949 -3.509 70 HD3 LYS 30 HD3 LYS 30 22.645 8.393 -4.549 71 HE2 LYS 30 HE2 LYS 30 24.697 9.019 -3.278 72 HE3 LYS 30 HE3 LYS 30 24.501 7.599 -2.247 73 HZ1 LYS 30 HZ1 LYS 30 25.012 7.512 -5.181 74 HZ2 LYS 30 HZ2 LYS 30 26.103 7.183 -4.018 75 HZ3 LYS 30 HZ3 LYS 30 24.826 6.195 -4.223 76 H LEU 31 H LEU 31 21.903 11.471 -1.595 77 HA LEU 31 HA LEU 31 20.798 13.991 -1.690 78 HB2 LEU 31 HB2 LEU 31 23.542 13.093 -2.630 79 HB3 LEU 31 HB3 LEU 31 23.091 14.778 -2.397 80 HG LEU 31 HG LEU 31 23.135 12.652 -0.211 81 HD11 LEU 31 HD11 LEU 31 25.003 14.994 -0.766 82 HD12 LEU 31 HD12 LEU 31 25.101 13.870 0.609 83 HD13 LEU 31 HD13 LEU 31 25.376 13.276 -1.036 84 HD21 LEU 31 HD21 LEU 31 22.925 14.597 1.338 85 HD22 LEU 31 HD22 LEU 31 22.632 15.658 -0.057 86 HD23 LEU 31 HD23 LEU 31 21.479 14.365 0.358 87 HA PRO 32 HA PRO 32 21.175 14.495 -6.454 88 HB2 PRO 32 HB2 PRO 32 20.629 11.672 -7.354 89 HB3 PRO 32 HB3 PRO 32 21.594 12.949 -8.152 90 HG2 PRO 32 HG2 PRO 32 22.835 10.957 -6.803 91 HG3 PRO 32 HG3 PRO 32 23.402 12.650 -6.624 92 HD2 PRO 32 HD2 PRO 32 21.627 11.066 -4.749 93 HD3 PRO 32 HD3 PRO 32 23.030 12.095 -4.387 94 H LEU 33 H LEU 33 18.982 11.906 -5.243 95 HA LEU 33 HA LEU 33 16.611 12.884 -6.658 96 HB2 LEU 33 HB2 LEU 33 17.154 10.993 -4.355 97 HB3 LEU 33 HB3 LEU 33 15.507 11.543 -4.647 98 HG LEU 33 HG LEU 33 17.182 10.010 -6.668 99 HD11 LEU 33 HD11 LEU 33 15.704 8.141 -6.083 100 HD12 LEU 33 HD12 LEU 33 16.512 8.721 -4.611 101 HD13 LEU 33 HD13 LEU 33 14.825 9.157 -4.912 102 HD21 LEU 33 HD21 LEU 33 15.417 11.444 -7.738 103 HD22 LEU 33 HD22 LEU 33 15.002 9.737 -7.823 104 HD23 LEU 33 HD23 LEU 33 14.213 10.779 -6.621 105 H LEU 34 H LEU 34 17.867 13.318 -3.340 106 HA LEU 34 HA LEU 34 15.784 15.005 -2.406 107 HB2 LEU 34 HB2 LEU 34 17.599 13.839 -1.100 108 HB3 LEU 34 HB3 LEU 34 18.758 15.012 -1.678 109 HG LEU 34 HG LEU 34 17.913 15.251 0.678 110 HD11 LEU 34 HD11 LEU 34 17.457 17.737 -0.996 111 HD12 LEU 34 HD12 LEU 34 17.898 17.638 0.710 112 HD13 LEU 34 HD13 LEU 34 19.049 17.102 -0.522 113 HD21 LEU 34 HD21 LEU 34 15.391 16.380 -0.595 114 HD22 LEU 34 HD22 LEU 34 15.508 14.806 0.234 115 HD23 LEU 34 HD23 LEU 34 15.791 16.310 1.126 116 H LYS 35 H LYS 35 18.754 15.867 -4.268 117 HA LYS 35 HA LYS 35 18.407 18.628 -4.408 118 HB2 LYS 35 HB2 LYS 35 20.151 16.776 -5.552 119 HB3 LYS 35 HB3 LYS 35 19.226 17.270 -6.955 120 HG2 LYS 35 HG2 LYS 35 21.072 18.761 -6.856 121 HG3 LYS 35 HG3 LYS 35 19.686 19.686 -6.277 122 HD2 LYS 35 HD2 LYS 35 21.449 20.190 -4.767 123 HD3 LYS 35 HD3 LYS 35 20.434 19.031 -3.882 124 HE2 LYS 35 HE2 LYS 35 21.963 17.205 -4.372 125 HE3 LYS 35 HE3 LYS 35 22.918 18.234 -5.453 126 HZ1 LYS 35 HZ1 LYS 35 22.643 18.667 -2.517 127 HZ2 LYS 35 HZ2 LYS 35 23.965 18.062 -3.265 128 HZ3 LYS 35 HZ3 LYS 35 23.520 19.605 -3.527 129 H ILE 36 H ILE 36 16.702 16.206 -6.437 130 HA ILE 36 HA ILE 36 15.407 18.110 -8.163 131 HB ILE 36 HB ILE 36 14.360 15.412 -7.271 132 HG12 ILE 36 HG12 ILE 36 16.502 15.044 -8.152 133 HG13 ILE 36 HG13 ILE 36 15.336 14.606 -9.393 134 HG21 ILE 36 HG21 ILE 36 12.617 16.756 -8.263 135 HG22 ILE 36 HG22 ILE 36 13.665 17.209 -9.627 136 HG23 ILE 36 HG23 ILE 36 13.129 15.531 -9.416 137 HD11 ILE 36 HD11 ILE 36 17.136 17.045 -9.282 138 HD12 ILE 36 HD12 ILE 36 17.198 15.699 -10.428 139 HD13 ILE 36 HD13 ILE 36 15.842 16.851 -10.491 140 H LEU 37 H LEU 37 14.353 16.492 -5.127 141 HA LEU 37 HA LEU 37 11.783 17.671 -4.887 142 HB2 LEU 37 HB2 LEU 37 13.737 16.366 -2.934 143 HB3 LEU 37 HB3 LEU 37 12.146 16.877 -2.445 144 HG LEU 37 HG LEU 37 11.088 15.223 -3.452 145 HD11 LEU 37 HD11 LEU 37 11.726 15.493 -5.814 146 HD12 LEU 37 HD12 LEU 37 13.205 14.552 -5.481 147 HD13 LEU 37 HD13 LEU 37 11.613 13.812 -5.301 148 HD21 LEU 37 HD21 LEU 37 13.796 13.940 -3.121 149 HD22 LEU 37 HD22 LEU 37 12.639 14.287 -1.810 150 HD23 LEU 37 HD23 LEU 37 12.229 13.111 -3.074 151 H HIS 38 H HIS 38 14.942 18.659 -3.554 152 HA HIS 38 HA HIS 38 13.894 21.033 -2.223 153 HB2 HIS 38 HB2 HIS 38 16.588 19.808 -2.727 154 HB3 HIS 38 HB3 HIS 38 16.481 21.484 -2.170 155 HD2 HIS 38 HD2 HIS 38 13.914 18.918 -0.908 156 HE1 HIS 38 HE1 HIS 38 16.366 19.933 2.426 157 HE2 HIS 38 HE2 HIS 38 14.263 18.686 1.703 158 H ALA 39 H ALA 39 15.410 20.510 -5.434 159 HA ALA 39 HA ALA 39 15.496 23.241 -6.254 160 HB1 ALA 39 HB1 ALA 39 16.619 21.478 -7.504 161 HB2 ALA 39 HB2 ALA 39 15.083 20.653 -7.818 162 HB3 ALA 39 HB3 ALA 39 15.405 22.242 -8.545 163 H ALA 40 H ALA 40 12.829 20.946 -5.958 164 HA ALA 40 HA ALA 40 10.904 22.801 -7.097 165 HB1 ALA 40 HB1 ALA 40 9.420 21.064 -6.948 166 HB2 ALA 40 HB2 ALA 40 10.939 20.157 -7.009 167 HB3 ALA 40 HB3 ALA 40 10.132 20.396 -5.456 168 H GLY 41 H GLY 41 12.243 22.336 -3.866 169 HA2 GLY 41 HA2 GLY 41 11.794 23.597 -1.945 170 HA3 GLY 41 HA3 GLY 41 10.312 24.223 -2.655 171 H ALA 42 H ALA 42 11.778 21.273 -1.278 172 HA ALA 42 HA ALA 42 9.211 20.004 -0.702 173 HB1 ALA 42 HB1 ALA 42 11.268 18.762 -1.397 174 HB2 ALA 42 HB2 ALA 42 11.960 19.144 0.207 175 HB3 ALA 42 HB3 ALA 42 10.489 18.164 0.064 176 H GLN 43 H GLN 43 8.682 19.181 1.462 177 HA GLN 43 HA GLN 43 8.891 21.373 3.429 178 HB2 GLN 43 HB2 GLN 43 6.708 20.393 2.426 179 HB3 GLN 43 HB3 GLN 43 6.946 19.058 3.555 180 HG2 GLN 43 HG2 GLN 43 6.902 20.704 5.450 181 HG3 GLN 43 HG3 GLN 43 6.731 22.021 4.289 182 HE21 GLN 43 HE22 GLN 43 4.680 22.094 2.978 183 HE22 GLN 43 HE21 GLN 43 3.247 21.336 3.658 184 H GLY 44 H GLY 44 11.115 19.537 3.126 185 HA2 GLY 44 HA2 GLY 44 12.261 19.183 5.527 186 HA3 GLY 44 HA3 GLY 44 11.125 17.841 5.550 187 H GLU 45 H GLU 45 12.966 16.516 5.773 188 HA GLU 45 HA GLU 45 14.139 15.686 3.128 189 HB2 GLU 45 HB2 GLU 45 15.229 15.373 5.951 190 HB3 GLU 45 HB3 GLU 45 15.861 14.509 4.549 191 HG2 GLU 45 HG2 GLU 45 16.430 16.639 3.445 192 HG3 GLU 45 HG3 GLU 45 15.800 17.535 4.831 193 H MET 46 H MET 46 11.991 14.742 5.689 194 HA MET 46 HA MET 46 12.293 11.812 5.111 195 HB2 MET 46 HB2 MET 46 10.966 13.355 7.368 196 HB3 MET 46 HB3 MET 46 10.841 11.609 7.153 197 HG2 MET 46 HG2 MET 46 13.292 11.401 7.273 198 HG3 MET 46 HG3 MET 46 13.443 13.141 7.525 199 HE1 MET 46 HE1 MET 46 12.768 14.418 9.707 200 HE2 MET 46 HE2 MET 46 11.085 13.839 9.635 201 HE3 MET 46 HE3 MET 46 12.021 13.662 11.131 202 H PHE 47 H PHE 47 10.970 11.163 3.419 203 HA PHE 47 HA PHE 47 8.056 11.589 3.783 204 HB2 PHE 47 HB2 PHE 47 8.512 11.971 1.001 205 HB3 PHE 47 HB3 PHE 47 7.782 13.047 2.172 206 HD1 PHE 47 HD1 PHE 47 11.235 11.908 1.181 207 HD2 PHE 47 HD2 PHE 47 8.708 15.195 2.348 208 HE1 PHE 47 HE1 PHE 47 13.079 13.475 0.782 209 HE2 PHE 47 HE2 PHE 47 10.543 16.795 1.841 210 HZ PHE 47 HZ PHE 47 12.733 15.941 1.008 211 H THR 48 H THR 48 6.696 10.330 2.444 212 HA THR 48 HA THR 48 7.633 7.584 1.846 213 HB THR 48 HB THR 48 5.196 7.276 1.193 214 HG1 THR 48 HG1 THR 48 4.927 9.873 2.309 215 HG21 THR 48 HG21 THR 48 4.258 7.422 3.432 216 HG22 THR 48 HG22 THR 48 5.843 6.634 3.407 217 HG23 THR 48 HG23 THR 48 5.705 8.302 4.007 218 H VAL 49 H VAL 49 6.933 6.533 -0.209 219 HA VAL 49 HA VAL 49 8.113 7.476 -2.511 220 HB VAL 49 HB VAL 49 7.477 5.187 -1.985 221 HG11 VAL 49 HG11 VAL 49 4.738 5.787 -3.128 222 HG12 VAL 49 HG12 VAL 49 5.387 4.221 -2.625 223 HG13 VAL 49 HG13 VAL 49 5.087 5.463 -1.405 224 HG21 VAL 49 HG21 VAL 49 8.315 5.851 -4.204 225 HG22 VAL 49 HG22 VAL 49 7.173 4.507 -4.312 226 HG23 VAL 49 HG23 VAL 49 6.649 6.144 -4.753 227 H LYS 50 H LYS 50 4.737 7.753 -1.491 228 HA LYS 50 HA LYS 50 3.787 8.997 -3.866 229 HB2 LYS 50 HB2 LYS 50 1.731 8.876 -2.813 230 HB3 LYS 50 HB3 LYS 50 2.623 7.529 -2.133 231 HG2 LYS 50 HG2 LYS 50 3.179 9.024 -0.179 232 HG3 LYS 50 HG3 LYS 50 2.022 10.206 -0.799 233 HD2 LYS 50 HD2 LYS 50 0.199 8.585 -0.547 234 HD3 LYS 50 HD3 LYS 50 1.354 7.316 -0.071 235 HE2 LYS 50 HE2 LYS 50 2.060 8.689 1.881 236 HE3 LYS 50 HE3 LYS 50 0.889 9.935 1.432 237 HZ1 LYS 50 HZ1 LYS 50 0.186 7.143 2.198 238 HZ2 LYS 50 HZ2 LYS 50 -0.015 8.459 3.140 239 HZ3 LYS 50 HZ3 LYS 50 -0.894 8.296 1.777 240 H GLU 51 H GLU 51 5.134 10.303 -0.904 241 HA GLU 51 HA GLU 51 4.480 13.106 -1.516 242 HB2 GLU 51 HB2 GLU 51 6.257 11.777 0.547 243 HB3 GLU 51 HB3 GLU 51 6.016 13.524 0.430 244 HG2 GLU 51 HG2 GLU 51 3.655 13.305 0.910 245 HG3 GLU 51 HG3 GLU 51 3.733 11.548 0.851 246 H VAL 52 H VAL 52 7.483 11.032 -1.647 247 HA VAL 52 HA VAL 52 9.158 13.090 -2.646 248 HB VAL 52 HB VAL 52 10.559 11.359 -3.602 249 HG11 VAL 52 HG11 VAL 52 10.802 12.126 -1.251 250 HG12 VAL 52 HG12 VAL 52 9.758 10.778 -0.725 251 HG13 VAL 52 HG13 VAL 52 11.338 10.450 -1.462 252 HG21 VAL 52 HG21 VAL 52 10.321 9.018 -3.095 253 HG22 VAL 52 HG22 VAL 52 8.708 9.364 -2.463 254 HG23 VAL 52 HG23 VAL 52 9.067 9.563 -4.201 255 H MET 53 H MET 53 7.385 10.633 -4.506 256 HA MET 53 HA MET 53 7.872 11.874 -6.995 257 HB2 MET 53 HB2 MET 53 6.379 10.493 -8.006 258 HB3 MET 53 HB3 MET 53 6.978 9.561 -6.636 259 HG2 MET 53 HG2 MET 53 4.878 10.250 -5.388 260 HG3 MET 53 HG3 MET 53 4.287 10.968 -6.885 261 HE1 MET 53 HE1 MET 53 5.560 8.520 -8.977 262 HE2 MET 53 HE2 MET 53 3.957 7.806 -9.235 263 HE3 MET 53 HE3 MET 53 4.137 9.573 -9.165 264 H HIS 54 H HIS 54 5.465 12.942 -4.584 265 HA HIS 54 HA HIS 54 3.938 14.574 -6.424 266 HB2 HIS 54 HB2 HIS 54 3.161 13.925 -4.150 267 HB3 HIS 54 HB3 HIS 54 4.370 14.999 -3.444 268 HD2 HIS 54 HD2 HIS 54 3.749 17.536 -3.238 269 HE1 HIS 54 HE1 HIS 54 0.157 17.553 -5.543 270 HE2 HIS 54 HE2 HIS 54 1.664 18.943 -4.031 271 H TYR 55 H TYR 55 6.899 15.213 -4.515 272 HA TYR 55 HA TYR 55 7.157 17.943 -5.367 273 HB2 TYR 55 HB2 TYR 55 9.344 16.000 -4.608 274 HB3 TYR 55 HB3 TYR 55 9.519 17.748 -4.752 275 HD1 TYR 55 HD2 TYR 55 7.656 19.141 -3.360 276 HD2 TYR 55 HD1 TYR 55 9.100 15.205 -2.414 277 HE1 TYR 55 HE2 TYR 55 6.817 19.399 -1.029 278 HE2 TYR 55 HE1 TYR 55 8.273 15.450 -0.100 279 HH TYR 55 HH TYR 55 7.177 16.824 1.431 280 H LEU 56 H LEU 56 7.843 14.941 -7.136 281 HA LEU 56 HA LEU 56 9.368 16.242 -9.264 282 HB2 LEU 56 HB2 LEU 56 7.566 13.822 -9.567 283 HB3 LEU 56 HB3 LEU 56 8.890 14.307 -10.604 284 HG LEU 56 HG LEU 56 9.190 13.328 -7.740 285 HD11 LEU 56 HD11 LEU 56 9.951 11.246 -8.729 286 HD12 LEU 56 HD12 LEU 56 8.330 11.613 -9.337 287 HD13 LEU 56 HD13 LEU 56 9.732 11.918 -10.375 288 HD21 LEU 56 HD21 LEU 56 11.041 14.757 -8.323 289 HD22 LEU 56 HD22 LEU 56 11.584 13.071 -8.353 290 HD23 LEU 56 HD23 LEU 56 11.239 13.921 -9.880 291 H GLY 57 H GLY 57 5.895 15.419 -8.777 292 HA2 GLY 57 HA2 GLY 57 4.802 16.561 -11.107 293 HA3 GLY 57 HA3 GLY 57 3.996 16.467 -9.534 294 H GLN 58 H GLN 58 5.342 18.201 -7.921 295 HA GLN 58 HA GLN 58 4.621 20.766 -8.983 296 HB2 GLN 58 HB2 GLN 58 4.768 21.551 -6.923 297 HB3 GLN 58 HB3 GLN 58 4.824 19.850 -6.481 298 HG2 GLN 58 HG2 GLN 58 7.360 20.049 -6.427 299 HG3 GLN 58 HG3 GLN 58 7.205 21.759 -6.779 300 HE21 GLN 58 HE22 GLN 58 8.138 22.442 -4.728 301 HE22 GLN 58 HE21 GLN 58 7.411 22.046 -3.195 302 H TYR 59 H TYR 59 7.843 19.161 -8.780 303 HA TYR 59 HA TYR 59 9.440 21.362 -9.517 304 HB2 TYR 59 HB2 TYR 59 10.365 19.188 -8.793 305 HB3 TYR 59 HB3 TYR 59 9.708 18.397 -10.184 306 HD1 TYR 59 HD2 TYR 59 10.555 18.992 -12.509 307 HD2 TYR 59 HD1 TYR 59 12.573 20.175 -8.881 308 HE1 TYR 59 HE2 TYR 59 12.695 19.129 -13.756 309 HE2 TYR 59 HE1 TYR 59 14.734 20.216 -10.115 310 HH TYR 59 HH TYR 59 15.814 19.863 -12.102 311 H ILE 60 H ILE 60 7.785 18.877 -11.561 312 HA ILE 60 HA ILE 60 8.474 20.014 -14.101 313 HB ILE 60 HB ILE 60 6.090 18.332 -13.264 314 HG12 ILE 60 HG12 ILE 60 8.477 17.215 -14.760 315 HG13 ILE 60 HG13 ILE 60 8.603 17.429 -13.025 316 HG21 ILE 60 HG21 ILE 60 7.151 18.996 -16.056 317 HG22 ILE 60 HG22 ILE 60 6.003 17.677 -15.709 318 HG23 ILE 60 HG23 ILE 60 5.565 19.342 -15.358 319 HD11 ILE 60 HD11 ILE 60 6.536 15.735 -14.460 320 HD12 ILE 60 HD12 ILE 60 7.810 15.219 -13.326 321 HD13 ILE 60 HD13 ILE 60 6.429 16.148 -12.745 322 H MET 61 H MET 61 5.606 20.530 -11.979 323 HA MET 61 HA MET 61 4.243 22.255 -13.750 324 HB2 MET 61 HB2 MET 61 3.338 21.092 -11.708 325 HB3 MET 61 HB3 MET 61 4.160 22.296 -10.707 326 HG2 MET 61 HG2 MET 61 1.832 22.904 -10.976 327 HG3 MET 61 HG3 MET 61 2.838 24.088 -11.799 328 HE1 MET 61 HE1 MET 61 0.888 24.516 -14.893 329 HE2 MET 61 HE2 MET 61 1.026 25.142 -13.235 330 HE3 MET 61 HE3 MET 61 2.492 24.824 -14.192 331 H VAL 62 H VAL 62 6.675 23.117 -11.216 332 HA VAL 62 HA VAL 62 6.512 25.955 -11.860 333 HB VAL 62 HB VAL 62 7.112 25.106 -9.633 334 HG11 VAL 62 HG11 VAL 62 9.888 24.541 -10.751 335 HG12 VAL 62 HG12 VAL 62 9.397 24.524 -9.049 336 HG13 VAL 62 HG13 VAL 62 8.727 23.336 -10.152 337 HG21 VAL 62 HG21 VAL 62 7.593 27.433 -10.339 338 HG22 VAL 62 HG22 VAL 62 8.766 26.825 -9.154 339 HG23 VAL 62 HG23 VAL 62 9.213 26.914 -10.872 340 H LYS 63 H LYS 63 8.812 23.375 -12.726 341 HA LYS 63 HA LYS 63 10.410 25.043 -14.491 342 HB2 LYS 63 HB2 LYS 63 10.141 22.031 -14.281 343 HB3 LYS 63 HB3 LYS 63 11.364 22.866 -15.237 344 HG2 LYS 63 HG2 LYS 63 11.109 23.013 -12.219 345 HG3 LYS 63 HG3 LYS 63 12.237 22.021 -13.139 346 HD2 LYS 63 HD2 LYS 63 13.121 24.269 -14.116 347 HD3 LYS 63 HD3 LYS 63 12.156 25.036 -12.839 348 HE2 LYS 63 HE2 LYS 63 14.152 24.780 -11.701 349 HE3 LYS 63 HE3 LYS 63 13.321 23.281 -11.252 350 HZ1 LYS 63 HZ1 LYS 63 14.607 22.174 -13.094 351 HZ2 LYS 63 HZ2 LYS 63 15.351 23.574 -13.438 352 HZ3 LYS 63 HZ3 LYS 63 15.626 22.860 -12.003 353 H GLN 64 H GLN 64 7.313 23.751 -14.972 354 HA GLN 64 HA GLN 64 6.034 23.036 -16.589 355 HB2 GLN 64 HB2 GLN 64 5.505 24.599 -18.378 356 HB3 GLN 64 HB3 GLN 64 5.503 25.275 -16.763 357 HG2 GLN 64 HG2 GLN 64 8.132 25.667 -17.841 358 HG3 GLN 64 HG3 GLN 64 6.993 26.127 -19.092 359 HE21 GLN 64 HE22 GLN 64 7.631 26.600 -15.526 360 HE22 GLN 64 HE21 GLN 64 6.963 28.195 -15.487 361 H LEU 65 H LEU 65 7.447 21.145 -16.751 362 HA LEU 65 HA LEU 65 9.003 21.063 -19.245 363 HB2 LEU 65 HB2 LEU 65 9.039 19.010 -17.014 364 HB3 LEU 65 HB3 LEU 65 10.012 18.989 -18.459 365 HG LEU 65 HG LEU 65 10.193 21.038 -16.239 366 HD11 LEU 65 HD11 LEU 65 12.375 20.090 -15.826 367 HD12 LEU 65 HD12 LEU 65 11.104 18.864 -15.649 368 HD13 LEU 65 HD13 LEU 65 12.133 18.898 -17.110 369 HD21 LEU 65 HD21 LEU 65 11.835 20.766 -18.799 370 HD22 LEU 65 HD22 LEU 65 10.763 22.124 -18.388 371 HD23 LEU 65 HD23 LEU 65 12.225 21.845 -17.443 372 H TYR 66 H TYR 66 5.883 20.736 -18.807 373 HA TYR 66 HA TYR 66 5.580 18.171 -20.193 374 HB2 TYR 66 HB2 TYR 66 3.124 18.540 -19.865 375 HB3 TYR 66 HB3 TYR 66 4.080 18.347 -18.409 376 HD1 TYR 66 HD2 TYR 66 2.331 20.855 -20.547 377 HD2 TYR 66 HD1 TYR 66 4.349 20.070 -16.862 378 HE1 TYR 66 HE2 TYR 66 1.608 23.096 -19.706 379 HE2 TYR 66 HE1 TYR 66 3.645 22.341 -15.979 380 HH TYR 66 HH TYR 66 1.697 24.600 -17.972 381 H ASP 67 H ASP 67 3.971 18.041 -22.003 382 HA ASP 67 HA ASP 67 4.654 19.910 -24.126 383 HB2 ASP 67 HB2 ASP 67 4.157 17.371 -24.265 384 HB3 ASP 67 HB3 ASP 67 2.460 17.838 -24.211 385 H GLN 68 H GLN 68 3.511 21.604 -24.908 386 HA GLN 68 HA GLN 68 1.345 22.945 -23.800 387 HB2 GLN 68 HB2 GLN 68 0.886 23.628 -26.149 388 HB3 GLN 68 HB3 GLN 68 2.364 24.216 -25.332 389 HG2 GLN 68 HG2 GLN 68 2.184 21.863 -27.115 390 HG3 GLN 68 HG3 GLN 68 2.364 23.483 -27.799 391 HE21 GLN 68 HE22 GLN 68 3.996 20.735 -26.770 392 HE22 GLN 68 HE21 GLN 68 5.630 21.436 -26.674 393 H GLN 69 H GLN 69 1.299 20.455 -26.198 394 HA GLN 69 HA GLN 69 -1.559 20.449 -26.601 395 HB2 GLN 69 HB2 GLN 69 0.647 18.639 -27.613 396 HB3 GLN 69 HB3 GLN 69 -1.015 18.561 -28.162 397 HG2 GLN 69 HG2 GLN 69 -0.906 20.473 -29.412 398 HG3 GLN 69 HG3 GLN 69 0.201 21.294 -28.331 399 HE21 GLN 69 HE22 GLN 69 2.480 19.864 -28.193 400 HE22 GLN 69 HE21 GLN 69 3.151 19.708 -29.817 401 H GLU 70 H GLU 70 0.526 18.829 -24.408 402 HA GLU 70 HA GLU 70 -1.564 16.941 -23.465 403 HB2 GLU 70 HB2 GLU 70 1.094 16.015 -24.639 404 HB3 GLU 70 HB3 GLU 70 0.153 15.064 -23.495 405 HG2 GLU 70 HG2 GLU 70 -1.818 15.258 -25.099 406 HG3 GLU 70 HG3 GLU 70 -0.678 15.910 -26.284 407 H GLN 71 H GLN 71 -1.543 18.289 -21.605 408 HA GLN 71 HA GLN 71 0.682 19.045 -20.094 409 HB2 GLN 71 HB2 GLN 71 -2.268 18.612 -19.591 410 HB3 GLN 71 HB3 GLN 71 -1.209 19.004 -18.231 411 HG2 GLN 71 HG2 GLN 71 -2.104 21.042 -18.949 412 HG3 GLN 71 HG3 GLN 71 -0.419 21.048 -19.454 413 HE21 GLN 71 HE22 GLN 71 -0.032 20.565 -21.931 414 HE22 GLN 71 HE21 GLN 71 -1.299 21.203 -22.956 415 H HIS 72 H HIS 72 -0.962 15.916 -20.002 416 HA HIS 72 HA HIS 72 0.356 14.961 -17.582 417 HB2 HIS 72 HB2 HIS 72 -0.645 12.770 -18.444 418 HB3 HIS 72 HB3 HIS 72 -1.798 14.066 -18.116 419 HD2 HIS 72 HD2 HIS 72 -0.066 12.211 -20.992 420 HE1 HIS 72 HE1 HIS 72 -2.984 14.765 -22.798 421 HE2 HIS 72 HE2 HIS 72 -1.254 12.932 -23.270 422 H MET 73 H MET 73 1.483 15.370 -20.802 423 HA MET 73 HA MET 73 3.415 13.115 -20.612 424 HB2 MET 73 HB2 MET 73 2.020 13.353 -22.688 425 HB3 MET 73 HB3 MET 73 2.803 14.914 -22.985 426 HG2 MET 73 HG2 MET 73 3.915 13.211 -24.289 427 HG3 MET 73 HG3 MET 73 5.011 13.773 -23.028 428 HE1 MET 73 HE1 MET 73 5.737 11.169 -24.609 429 HE2 MET 73 HE2 MET 73 6.632 11.915 -23.267 430 HE3 MET 73 HE3 MET 73 6.274 10.172 -23.237 431 H VAL 74 H VAL 74 5.420 13.495 -19.991 432 HA VAL 74 HA VAL 74 6.278 16.326 -19.525 433 HB VAL 74 HB VAL 74 7.206 13.814 -18.097 434 HG11 VAL 74 HG11 VAL 74 7.933 15.490 -16.398 435 HG12 VAL 74 HG12 VAL 74 8.754 15.705 -17.933 436 HG13 VAL 74 HG13 VAL 74 7.429 16.802 -17.488 437 HG21 VAL 74 HG21 VAL 74 4.795 14.091 -17.633 438 HG22 VAL 74 HG22 VAL 74 5.726 14.581 -16.230 439 HG23 VAL 74 HG23 VAL 74 5.035 15.822 -17.300 440 H TYR 75 H TYR 75 8.287 16.970 -20.202 441 HA TYR 75 HA TYR 75 10.112 15.134 -21.677 442 HB2 TYR 75 HB2 TYR 75 9.019 17.847 -22.447 443 HB3 TYR 75 HB3 TYR 75 10.482 17.161 -23.160 444 HD1 TYR 75 HD1 TYR 75 10.404 14.829 -24.151 445 HD2 TYR 75 HD2 TYR 75 6.852 17.117 -23.270 446 HE1 TYR 75 HE1 TYR 75 9.078 13.295 -25.557 447 HE2 TYR 75 HE2 TYR 75 5.528 15.606 -24.755 448 HH TYR 75 HH TYR 75 7.003 12.841 -26.492 449 H CYS 76 H CYS 76 11.503 14.952 -19.881 450 HA CYS 76 HA CYS 76 12.596 17.347 -18.553 451 HB2 CYS 76 HB2 CYS 76 12.794 14.381 -17.926 452 HB3 CYS 76 HB3 CYS 76 13.631 15.649 -17.012 453 HG CYS 76 HG CYS 76 11.556 17.027 -16.317 454 H GLY 77 H GLY 77 13.507 15.951 -21.353 455 HA2 GLY 77 HA2 GLY 77 16.258 15.414 -21.145 456 HA3 GLY 77 HA3 GLY 77 15.480 16.096 -22.575 457 H GLY 78 H GLY 78 17.941 16.586 -20.515 458 HA2 GLY 78 HA2 GLY 78 19.449 18.384 -20.521 459 HA3 GLY 78 HA3 GLY 78 18.189 19.479 -21.074 460 H ASP 79 H ASP 79 16.681 17.960 -18.491 461 HA ASP 79 HA ASP 79 17.740 19.910 -16.494 462 HB2 ASP 79 HB2 ASP 79 15.031 18.866 -17.171 463 HB3 ASP 79 HB3 ASP 79 15.406 18.938 -15.475 464 H LEU 80 H LEU 80 17.891 19.230 -14.259 465 HA LEU 80 HA LEU 80 19.561 16.997 -13.967 466 HB2 LEU 80 HB2 LEU 80 19.174 19.033 -12.363 467 HB3 LEU 80 HB3 LEU 80 17.832 18.051 -11.714 468 HG LEU 80 HG LEU 80 19.383 16.311 -10.988 469 HD11 LEU 80 HD11 LEU 80 21.853 16.693 -11.056 470 HD12 LEU 80 HD12 LEU 80 21.159 16.394 -12.645 471 HD13 LEU 80 HD13 LEU 80 21.585 18.053 -12.171 472 HD21 LEU 80 HD21 LEU 80 20.435 19.057 -10.178 473 HD22 LEU 80 HD22 LEU 80 18.967 18.318 -9.523 474 HD23 LEU 80 HD23 LEU 80 20.538 17.552 -9.238 475 H LEU 81 H LEU 81 16.078 17.268 -13.034 476 HA LEU 81 HA LEU 81 15.722 14.714 -12.186 477 HB2 LEU 81 HB2 LEU 81 13.986 16.370 -12.013 478 HB3 LEU 81 HB3 LEU 81 13.853 16.529 -13.761 479 HG LEU 81 HG LEU 81 12.778 14.380 -13.972 480 HD11 LEU 81 HD11 LEU 81 13.878 13.014 -12.267 481 HD12 LEU 81 HD12 LEU 81 13.242 14.032 -10.983 482 HD13 LEU 81 HD13 LEU 81 12.147 13.027 -11.964 483 HD21 LEU 81 HD21 LEU 81 10.721 14.814 -12.708 484 HD22 LEU 81 HD22 LEU 81 11.593 15.940 -11.639 485 HD23 LEU 81 HD23 LEU 81 11.385 16.317 -13.362 486 H GLY 82 H GLY 82 15.778 15.739 -15.638 487 HA2 GLY 82 HA2 GLY 82 15.036 13.188 -16.805 488 HA3 GLY 82 HA3 GLY 82 15.855 14.532 -17.609 489 H GLU 83 H GLU 83 18.206 14.771 -16.133 490 HA GLU 83 HA GLU 83 19.794 12.624 -17.173 491 HB2 GLU 83 HB2 GLU 83 21.383 14.092 -16.893 492 HB3 GLU 83 HB3 GLU 83 20.236 15.184 -16.127 493 HG2 GLU 83 HG2 GLU 83 20.864 14.403 -13.922 494 HG3 GLU 83 HG3 GLU 83 21.890 13.139 -14.609 495 H LEU 84 H LEU 84 18.477 13.189 -13.936 496 HA LEU 84 HA LEU 84 19.677 10.876 -12.740 497 HB2 LEU 84 HB2 LEU 84 18.957 12.928 -11.554 498 HB3 LEU 84 HB3 LEU 84 17.272 12.550 -11.918 499 HG LEU 84 HG LEU 84 17.395 10.520 -10.514 500 HD11 LEU 84 HD11 LEU 84 19.383 10.169 -9.042 501 HD12 LEU 84 HD12 LEU 84 19.762 9.891 -10.739 502 HD13 LEU 84 HD13 LEU 84 20.266 11.411 -9.965 503 HD21 LEU 84 HD21 LEU 84 17.716 11.705 -8.354 504 HD22 LEU 84 HD22 LEU 84 18.435 13.076 -9.227 505 HD23 LEU 84 HD23 LEU 84 16.738 12.633 -9.511 506 H LEU 85 H LEU 85 16.508 11.395 -14.258 507 HA LEU 85 HA LEU 85 15.372 8.786 -13.823 508 HB2 LEU 85 HB2 LEU 85 15.024 10.953 -15.936 509 HB3 LEU 85 HB3 LEU 85 14.225 9.414 -16.124 510 HG LEU 85 HG LEU 85 13.895 11.000 -13.566 511 HD11 LEU 85 HD11 LEU 85 12.242 11.187 -16.117 512 HD12 LEU 85 HD12 LEU 85 11.815 11.900 -14.538 513 HD13 LEU 85 HD13 LEU 85 13.238 12.479 -15.418 514 HD21 LEU 85 HD21 LEU 85 11.854 9.736 -13.375 515 HD22 LEU 85 HD22 LEU 85 12.047 9.032 -14.998 516 HD23 LEU 85 HD23 LEU 85 13.148 8.578 -13.681 517 H GLY 86 H GLY 86 17.592 10.055 -16.325 518 HA2 GLY 86 HA2 GLY 86 19.076 8.868 -17.705 519 HA3 GLY 86 HA3 GLY 86 18.383 7.329 -17.183 520 H ARG 87 H ARG 87 15.956 9.525 -17.999 521 HA ARG 87 HA ARG 87 15.833 9.060 -20.883 522 HB2 ARG 87 HB2 ARG 87 13.559 8.209 -20.887 523 HB3 ARG 87 HB3 ARG 87 14.695 7.073 -20.187 524 HG2 ARG 87 HG2 ARG 87 13.012 8.849 -18.395 525 HG3 ARG 87 HG3 ARG 87 12.321 7.405 -19.115 526 HD2 ARG 87 HD2 ARG 87 14.915 7.256 -17.579 527 HD3 ARG 87 HD3 ARG 87 13.365 7.248 -16.741 528 HE ARG 87 HE ARG 87 13.252 5.259 -18.758 529 HH11 ARG 87 HH11 ARG 87 15.258 5.752 -15.871 530 HH12 ARG 87 HH12 ARG 87 15.166 4.023 -15.500 531 HH21 ARG 87 HH21 ARG 87 13.383 3.054 -18.148 532 HH22 ARG 87 HH22 ARG 87 14.273 2.668 -16.675 533 H GLN 88 H GLN 88 14.848 10.580 -21.954 534 HA GLN 88 HA GLN 88 14.413 13.143 -20.583 535 HB2 GLN 88 HB2 GLN 88 14.133 13.948 -22.937 536 HB3 GLN 88 HB3 GLN 88 15.698 13.265 -22.495 537 HG2 GLN 88 HG2 GLN 88 15.180 12.640 -24.747 538 HG3 GLN 88 HG3 GLN 88 15.169 11.196 -23.757 539 HE21 GLN 88 HE22 GLN 88 13.080 13.535 -25.511 540 HE22 GLN 88 HE21 GLN 88 11.708 12.441 -25.597 541 H SER 89 H SER 89 12.271 10.665 -21.346 542 HA SER 89 HA SER 89 10.057 12.501 -20.632 543 HB2 SER 89 HB2 SER 89 8.639 11.951 -22.520 544 HB3 SER 89 HB3 SER 89 10.152 12.661 -23.094 545 HG SER 89 HG SER 89 10.874 10.596 -23.658 546 H PHE 90 H PHE 90 8.069 11.698 -20.164 547 HA PHE 90 HA PHE 90 7.380 8.914 -19.891 548 HB2 PHE 90 HB2 PHE 90 7.282 8.846 -17.441 549 HB3 PHE 90 HB3 PHE 90 8.928 9.023 -18.010 550 HD1 PHE 90 HD2 PHE 90 10.217 11.081 -17.640 551 HD2 PHE 90 HD1 PHE 90 6.161 10.675 -16.215 552 HE1 PHE 90 HE2 PHE 90 10.518 13.065 -16.203 553 HE2 PHE 90 HE1 PHE 90 6.485 12.646 -14.753 554 HZ PHE 90 HZ PHE 90 8.708 13.782 -14.660 555 H SER 91 H SER 91 5.237 8.828 -18.519 556 HA SER 91 HA SER 91 3.654 11.360 -18.738 557 HB2 SER 91 HB2 SER 91 2.987 9.969 -20.596 558 HB3 SER 91 HB3 SER 91 2.800 8.559 -19.536 559 HG SER 91 HG SER 91 0.823 9.774 -20.085 560 H VAL 92 H VAL 92 2.048 11.679 -17.094 561 HA VAL 92 HA VAL 92 2.415 10.441 -14.564 562 HB VAL 92 HB VAL 92 0.611 11.683 -13.850 563 HG11 VAL 92 HG11 VAL 92 2.495 13.087 -14.762 564 HG12 VAL 92 HG12 VAL 92 1.477 13.366 -16.198 565 HG13 VAL 92 HG13 VAL 92 0.930 13.906 -14.609 566 HG21 VAL 92 HG21 VAL 92 -0.466 11.642 -16.661 567 HG22 VAL 92 HG22 VAL 92 -1.235 11.032 -15.186 568 HG23 VAL 92 HG23 VAL 92 -1.073 12.771 -15.432 569 H LYS 93 H LYS 93 0.747 9.369 -17.376 570 HA LYS 93 HA LYS 93 -1.018 7.414 -16.054 571 HB2 LYS 93 HB2 LYS 93 -0.365 7.897 -18.991 572 HB3 LYS 93 HB3 LYS 93 -1.661 6.868 -18.379 573 HG2 LYS 93 HG2 LYS 93 -2.844 8.771 -17.433 574 HG3 LYS 93 HG3 LYS 93 -1.508 9.864 -17.817 575 HD2 LYS 93 HD2 LYS 93 -1.832 9.439 -20.238 576 HD3 LYS 93 HD3 LYS 93 -3.254 8.439 -19.856 577 HE2 LYS 93 HE2 LYS 93 -4.370 10.345 -18.799 578 HE3 LYS 93 HE3 LYS 93 -2.918 11.339 -18.948 579 HZ1 LYS 93 HZ1 LYS 93 -4.519 10.324 -21.242 580 HZ2 LYS 93 HZ2 LYS 93 -4.509 11.864 -20.698 581 HZ3 LYS 93 HZ3 LYS 93 -3.167 11.241 -21.378 582 H ASP 94 H ASP 94 2.263 7.453 -16.741 583 HA ASP 94 HA ASP 94 2.513 4.502 -16.611 584 HB2 ASP 94 HB2 ASP 94 2.464 5.046 -18.996 585 HB3 ASP 94 HB3 ASP 94 3.736 6.247 -18.780 586 HA PRO 95 HA PRO 95 5.312 7.007 -13.902 587 HB2 PRO 95 HB2 PRO 95 4.893 5.800 -11.502 588 HB3 PRO 95 HB3 PRO 95 3.695 6.893 -12.248 589 HG2 PRO 95 HG2 PRO 95 3.755 3.859 -12.379 590 HG3 PRO 95 HG3 PRO 95 2.385 4.916 -11.902 591 HD2 PRO 95 HD2 PRO 95 2.636 3.964 -14.438 592 HD3 PRO 95 HD3 PRO 95 2.027 5.617 -14.127 593 H SER 96 H SER 96 5.551 3.683 -14.762 594 HA SER 96 HA SER 96 7.459 2.518 -13.268 595 HB2 SER 96 HB2 SER 96 7.333 2.459 -16.301 596 HB3 SER 96 HB3 SER 96 8.165 1.273 -15.273 597 HG SER 96 HG SER 96 6.008 0.622 -15.851 598 HA PRO 97 HA PRO 97 11.325 4.446 -15.389 599 HB2 PRO 97 HB2 PRO 97 11.158 7.045 -16.342 600 HB3 PRO 97 HB3 PRO 97 10.980 5.570 -17.344 601 HG2 PRO 97 HG2 PRO 97 8.797 7.257 -16.094 602 HG3 PRO 97 HG3 PRO 97 8.919 6.662 -17.789 603 HD2 PRO 97 HD2 PRO 97 7.416 5.388 -16.018 604 HD3 PRO 97 HD3 PRO 97 8.426 4.449 -17.146 605 H LEU 98 H LEU 98 9.004 6.426 -13.517 606 HA LEU 98 HA LEU 98 10.992 7.903 -12.009 607 HB2 LEU 98 HB2 LEU 98 8.205 7.087 -11.055 608 HB3 LEU 98 HB3 LEU 98 9.140 8.489 -10.618 609 HG LEU 98 HG LEU 98 7.755 8.045 -13.298 610 HD11 LEU 98 HD11 LEU 98 6.221 9.779 -12.521 611 HD12 LEU 98 HD12 LEU 98 6.204 8.396 -11.421 612 HD13 LEU 98 HD13 LEU 98 7.080 9.879 -10.966 613 HD21 LEU 98 HD21 LEU 98 8.253 10.468 -13.617 614 HD22 LEU 98 HD22 LEU 98 9.333 10.393 -12.207 615 HD23 LEU 98 HD23 LEU 98 9.666 9.417 -13.665 616 H TYR 99 H TYR 99 9.016 4.953 -11.437 617 HA TYR 99 HA TYR 99 10.193 4.414 -8.903 618 HB2 TYR 99 HB2 TYR 99 8.588 2.763 -10.891 619 HB3 TYR 99 HB3 TYR 99 9.250 2.026 -9.445 620 HD1 TYR 99 HD1 TYR 99 7.051 4.918 -10.525 621 HD2 TYR 99 HD2 TYR 99 8.143 2.139 -7.394 622 HE1 TYR 99 HE1 TYR 99 5.141 5.705 -9.140 623 HE2 TYR 99 HE2 TYR 99 6.216 2.928 -6.029 624 HH TYR 99 HH TYR 99 3.973 5.478 -7.164 625 H ASP 100 H ASP 100 11.272 3.628 -12.148 626 HA ASP 100 HA ASP 100 13.274 1.680 -11.475 627 HB2 ASP 100 HB2 ASP 100 12.223 2.247 -13.709 628 HB3 ASP 100 HB3 ASP 100 13.260 3.652 -13.747 629 H MET 101 H MET 101 13.284 5.193 -11.687 630 HA MET 101 HA MET 101 16.121 5.436 -10.966 631 HB2 MET 101 HB2 MET 101 15.967 7.619 -11.425 632 HB3 MET 101 HB3 MET 101 14.458 7.159 -12.219 633 HG2 MET 101 HG2 MET 101 13.351 7.580 -9.960 634 HG3 MET 101 HG3 MET 101 14.851 8.317 -9.438 635 HE1 MET 101 HE1 MET 101 11.572 10.657 -10.224 636 HE2 MET 101 HE2 MET 101 11.583 8.896 -9.936 637 HE3 MET 101 HE3 MET 101 12.473 9.981 -8.847 638 H LEU 102 H LEU 102 13.098 5.159 -9.075 639 HA LEU 102 HA LEU 102 14.357 6.185 -6.625 640 HB2 LEU 102 HB2 LEU 102 11.678 4.804 -7.104 641 HB3 LEU 102 HB3 LEU 102 12.248 5.382 -5.549 642 HG LEU 102 HG LEU 102 11.517 7.098 -7.942 643 HD11 LEU 102 HD11 LEU 102 9.628 6.160 -6.651 644 HD12 LEU 102 HD12 LEU 102 10.298 6.880 -5.168 645 HD13 LEU 102 HD13 LEU 102 9.738 7.920 -6.497 646 HD21 LEU 102 HD21 LEU 102 12.656 7.955 -5.261 647 HD22 LEU 102 HD22 LEU 102 13.356 8.214 -6.878 648 HD23 LEU 102 HD23 LEU 102 11.865 9.041 -6.425 649 H ARG 103 H ARG 103 13.330 3.002 -7.918 650 HA ARG 103 HA ARG 103 13.637 1.472 -5.753 651 HB2 ARG 103 HB2 ARG 103 13.705 -0.421 -7.127 652 HB3 ARG 103 HB3 ARG 103 12.710 0.837 -7.878 653 HG2 ARG 103 HG2 ARG 103 14.479 1.352 -9.475 654 HG3 ARG 103 HG3 ARG 103 15.551 0.135 -8.731 655 HD2 ARG 103 HD2 ARG 103 13.865 -1.609 -9.217 656 HD3 ARG 103 HD3 ARG 103 12.821 -0.390 -9.944 657 HE ARG 103 HE ARG 103 14.289 -0.181 -11.825 658 HH11 ARG 103 HH11 ARG 103 15.614 -2.654 -9.686 659 HH12 ARG 103 HH12 ARG 103 16.726 -3.179 -10.921 660 HH21 ARG 103 HH21 ARG 103 15.620 -0.822 -13.211 661 HH22 ARG 103 HH22 ARG 103 16.736 -2.165 -12.937 662 H LYS 104 H LYS 104 16.404 2.415 -7.652 663 HA LYS 104 HA LYS 104 18.293 0.895 -5.962 664 HB2 LYS 104 HB2 LYS 104 19.912 1.941 -7.750 665 HB3 LYS 104 HB3 LYS 104 19.016 0.452 -7.998 666 HG2 LYS 104 HG2 LYS 104 19.050 1.803 -10.008 667 HG3 LYS 104 HG3 LYS 104 17.415 1.589 -9.427 668 HD2 LYS 104 HD2 LYS 104 17.729 3.876 -10.195 669 HD3 LYS 104 HD3 LYS 104 17.417 3.848 -8.465 670 HE2 LYS 104 HE2 LYS 104 19.076 5.499 -8.967 671 HE3 LYS 104 HE3 LYS 104 19.792 4.234 -7.976 672 HZ1 LYS 104 HZ1 LYS 104 20.107 4.471 -10.947 673 HZ2 LYS 104 HZ2 LYS 104 21.242 4.892 -9.859 674 HZ3 LYS 104 HZ3 LYS 104 20.830 3.327 -10.027 675 H ASN 105 H ASN 105 17.158 4.098 -5.984 676 HA ASN 105 HA ASN 105 19.605 5.108 -4.525 677 HB2 ASN 105 HB2 ASN 105 17.433 6.436 -6.134 678 HB3 ASN 105 HB3 ASN 105 18.252 7.323 -4.834 679 HD21 ASN 105 HD22 ASN 105 20.890 6.328 -5.070 680 HD22 ASN 105 HD21 ASN 105 21.494 6.803 -6.631 681 H LEU 106 H LEU 106 16.061 4.922 -4.406 682 HA LEU 106 HA LEU 106 16.051 5.463 -1.462 683 HB2 LEU 106 HB2 LEU 106 14.956 7.161 -2.661 684 HB3 LEU 106 HB3 LEU 106 14.139 6.011 -3.731 685 HG LEU 106 HG LEU 106 12.728 5.246 -1.878 686 HD11 LEU 106 HD11 LEU 106 14.239 5.833 0.062 687 HD12 LEU 106 HD12 LEU 106 13.974 7.551 -0.296 688 HD13 LEU 106 HD13 LEU 106 12.620 6.532 0.223 689 HD21 LEU 106 HD21 LEU 106 11.362 7.287 -1.654 690 HD22 LEU 106 HD22 LEU 106 12.689 8.240 -2.360 691 HD23 LEU 106 HD23 LEU 106 11.879 6.971 -3.314 692 H VAL 107 H VAL 107 15.846 3.762 -0.318 693 HA VAL 107 HA VAL 107 14.683 1.273 -1.361 694 HB VAL 107 HB VAL 107 16.871 1.306 -0.221 695 HG11 VAL 107 HG11 VAL 107 16.994 1.303 2.212 696 HG12 VAL 107 HG12 VAL 107 16.331 2.842 1.651 697 HG13 VAL 107 HG13 VAL 107 15.252 1.606 2.341 698 HG21 VAL 107 HG21 VAL 107 15.587 -0.791 -0.509 699 HG22 VAL 107 HG22 VAL 107 16.603 -0.796 0.942 700 HG23 VAL 107 HG23 VAL 107 14.853 -0.551 1.094 701 H THR 108 H THR 108 13.796 3.592 0.856 702 HA THR 108 HA THR 108 12.053 4.031 2.262 703 HB THR 108 HB THR 108 11.140 4.391 0.046 704 HG1 THR 108 HG1 THR 108 9.070 4.661 0.815 705 HG21 THR 108 HG21 THR 108 10.816 2.251 -0.973 706 HG22 THR 108 HG22 THR 108 9.843 1.655 0.385 707 HG23 THR 108 HG23 THR 108 9.210 2.922 -0.689 708 H LEU 109 H LEU 109 9.572 2.752 2.758 709 HA LEU 109 HA LEU 109 10.136 1.292 5.083 710 HB2 LEU 109 HB2 LEU 109 8.063 2.450 4.568 711 HB3 LEU 109 HB3 LEU 109 7.650 1.226 3.366 712 HG LEU 109 HG LEU 109 7.430 -0.492 5.076 713 HD11 LEU 109 HD11 LEU 109 8.343 1.629 7.080 714 HD12 LEU 109 HD12 LEU 109 7.599 0.074 7.510 715 HD13 LEU 109 HD13 LEU 109 9.167 0.096 6.708 716 HD21 LEU 109 HD21 LEU 109 5.559 1.067 4.654 717 HD22 LEU 109 HD22 LEU 109 5.560 0.490 6.335 718 HD23 LEU 109 HD23 LEU 109 6.165 2.123 5.951 719 H ALA 110 H ALA 110 9.054 -0.002 1.942 720 HA ALA 110 HA ALA 110 9.162 -1.972 0.898 721 HB1 ALA 110 HB1 ALA 110 11.806 -2.241 2.374 722 HB2 ALA 110 HB2 ALA 110 11.368 -2.981 0.817 723 HB3 ALA 110 HB3 ALA 110 11.516 -1.221 0.954 724 H THR 111 H THR 111 9.851 -4.498 1.222 725 HA THR 111 HA THR 111 8.669 -5.590 3.709 726 HB THR 111 HB THR 111 6.843 -5.051 2.136 727 HG1 THR 111 HG1 THR 111 5.850 -7.047 2.468 728 HG21 THR 111 HG21 THR 111 7.928 -5.576 -0.036 729 HG22 THR 111 HG22 THR 111 7.929 -7.303 0.388 730 HG23 THR 111 HG23 THR 111 6.397 -6.431 0.184 731 HD1 48M 200 HD1 48M 200 2.358 15.084 -12.649 732 HD2 48M 200 HD2 48M 200 3.051 13.365 -8.757 733 HD3 48M 200 HD3 48M 200 -0.433 11.937 -8.031 734 HD4 48M 200 HD4 48M 200 1.576 12.104 -11.825 735 HD5 48M 200 HD5 48M 200 -2.468 13.948 -13.081 736 HE1 48M 200 HE1 48M 200 4.553 14.248 -13.402 737 HE2 48M 200 HE2 48M 200 5.210 12.466 -9.560 738 HE3 48M 200 HE3 48M 200 0.265 9.577 -7.764 739 HE5 48M 200 HE5 48M 200 -3.467 14.572 -15.216 740 HE6 48M 200 HE6 48M 200 -0.503 17.616 -15.754 741 HZ2 48M 200 HZ2 48M 200 1.639 8.485 -9.519 742 HM21 48M 200 HM21 48M 200 3.063 15.962 -14.724 743 HM22 48M 200 HM22 48M 200 1.749 16.127 -15.896 744 HM23 48M 200 HM23 48M 200 3.168 17.169 -16.012 745 HM31 48M 200 HM31 48M 200 3.561 18.974 -14.111 746 HM32 48M 200 HM32 48M 200 2.355 19.113 -12.831 747 HM33 48M 200 HM33 48M 200 3.388 17.680 -12.911 748 HN1 48M 200 HN1 48M 200 -3.071 20.585 -9.970 749 H21 48M 200 H21 48M 200 -2.442 18.215 -8.987 750 H22 48M 200 H22 48M 200 -3.696 18.299 -10.239 751 H31 48M 200 H31 48M 200 -1.938 16.573 -10.615 752 H32 48M 200 H32 48M 200 -2.119 17.705 -11.974 753 H41 48M 200 H41 48M 200 0.230 19.655 -12.006 754 H42 48M 200 H42 48M 200 0.758 19.693 -10.310 755 H7 48M 200 H7 48M 200 -0.568 13.890 -9.230 756 H8 48M 200 H8 48M 200 1.293 15.162 -9.126 757 H9 48M 200 H9 48M 200 1.302 18.483 -15.012
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:18:14 PM GMT (wattos1)