NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549715 | 2lx7 | 18662 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -5.440 11.651 11.633 2 H2 MET 1 2H MET 1 -4.178 12.651 12.145 3 H3 MET 1 3H MET 1 -4.264 11.057 12.696 4 HA MET 1 HA MET 1 -3.894 10.202 10.518 5 HB2 MET 1 1HB MET 1 -4.991 12.072 9.289 6 HB3 MET 1 2HB MET 1 -3.655 13.136 9.702 7 HG2 MET 1 1HG MET 1 -2.132 11.798 8.338 8 HG3 MET 1 2HG MET 1 -3.423 10.648 7.985 9 HE1 MET 1 3HE MET 1 -5.941 12.511 7.501 10 HE2 MET 1 1HE MET 1 -5.520 11.201 6.395 11 HE3 MET 1 2HE MET 1 -5.841 12.819 5.769 12 H SER 2 H SER 2 -2.215 9.358 11.727 13 HA SER 2 HA SER 2 0.045 10.898 12.634 14 HB2 SER 2 1HB SER 2 -0.335 7.868 12.502 15 HB3 SER 2 2HB SER 2 0.933 8.711 13.399 16 HG SER 2 HG SER 2 -1.047 8.041 14.583 17 H GLY 3 H GLY 3 -0.614 8.651 9.993 18 HA2 GLY 3 1HA GLY 3 1.796 9.575 8.528 19 HA3 GLY 3 2HA GLY 3 1.320 7.878 8.563 20 H ALA 4 H ALA 4 1.566 9.194 6.142 21 HA ALA 4 HA ALA 4 -0.943 10.293 5.234 22 HB1 ALA 4 3HB ALA 4 1.200 11.079 4.290 23 HB2 ALA 4 1HB ALA 4 0.147 10.429 3.032 24 HB3 ALA 4 2HB ALA 4 1.508 9.474 3.626 25 H ARG 5 H ARG 5 -2.616 9.185 4.490 26 HA ARG 5 HA ARG 5 -2.531 6.312 3.983 27 HB2 ARG 5 1HB ARG 5 -5.016 6.558 3.705 28 HB3 ARG 5 2HB ARG 5 -4.428 7.146 5.258 29 HG2 ARG 5 1HG ARG 5 -4.591 9.458 4.500 30 HG3 ARG 5 2HG ARG 5 -5.049 8.927 2.882 31 HD2 ARG 5 1HD ARG 5 -7.137 7.972 3.782 32 HD3 ARG 5 2HD ARG 5 -6.677 8.487 5.412 33 HE ARG 5 HE ARG 5 -6.586 10.773 3.886 34 HH11 ARG 5 1HH1 ARG 5 -9.109 8.435 4.604 35 HH12 ARG 5 2HH1 ARG 5 -10.374 9.614 4.514 36 HH21 ARG 5 1HH2 ARG 5 -8.257 12.287 3.780 37 HH22 ARG 5 2HH2 ARG 5 -9.894 11.783 4.038 38 H CYS 6 H CYS 6 -3.384 5.401 2.027 39 HA CYS 6 HA CYS 6 -3.619 6.991 -0.386 40 HB2 CYS 6 1HB CYS 6 -1.866 5.730 -1.614 41 HB3 CYS 6 2HB CYS 6 -1.169 6.609 -0.260 42 HG CYS 6 HG CYS 6 -0.870 4.388 1.364 43 H ARG 7 H ARG 7 -4.750 5.872 -1.989 44 HA ARG 7 HA ARG 7 -6.037 3.337 -1.181 45 HB2 ARG 7 1HB ARG 7 -7.544 5.281 -1.599 46 HB3 ARG 7 2HB ARG 7 -6.877 5.453 -3.219 47 HG2 ARG 7 1HG ARG 7 -7.772 3.166 -3.777 48 HG3 ARG 7 2HG ARG 7 -8.537 3.118 -2.184 49 HD2 ARG 7 1HD ARG 7 -9.850 5.147 -2.783 50 HD3 ARG 7 2HD ARG 7 -9.083 5.151 -4.378 51 HE ARG 7 HE ARG 7 -10.510 2.712 -3.644 52 HH11 ARG 7 1HH1 ARG 7 -10.691 5.782 -5.365 53 HH12 ARG 7 2HH1 ARG 7 -12.046 5.289 -6.325 54 HH21 ARG 7 1HH2 ARG 7 -12.306 2.111 -4.904 55 HH22 ARG 7 2HH2 ARG 7 -12.962 3.223 -6.060 56 H THR 8 H THR 8 -5.441 1.570 -2.268 57 HA THR 8 HA THR 8 -3.594 1.572 -4.457 58 HB THR 8 HB THR 8 -4.012 -0.933 -4.405 59 HG1 THR 8 HG1 THR 8 -5.382 -1.465 -2.416 60 HG21 THR 8 3HG2 THR 8 -2.297 0.013 -2.883 61 HG22 THR 8 1HG2 THR 8 -3.130 -1.340 -2.122 62 HG23 THR 8 2HG2 THR 8 -3.535 0.316 -1.660 63 H LEU 9 H LEU 9 -4.036 1.253 -6.655 64 HA LEU 9 HA LEU 9 -6.800 1.567 -7.543 65 HB2 LEU 9 1HB LEU 9 -4.254 1.311 -9.207 66 HB3 LEU 9 2HB LEU 9 -5.853 1.696 -9.821 67 HG LEU 9 HG LEU 9 -5.694 3.805 -8.256 68 HD11 LEU 9 1HD1 LEU 9 -3.444 4.663 -7.857 69 HD12 LEU 9 2HD1 LEU 9 -2.744 3.154 -8.446 70 HD13 LEU 9 3HD1 LEU 9 -3.726 3.159 -6.978 71 HD21 LEU 9 3HD2 LEU 9 -4.643 5.107 -10.048 72 HD22 LEU 9 1HD2 LEU 9 -5.730 3.896 -10.723 73 HD23 LEU 9 2HD2 LEU 9 -3.984 3.637 -10.766 74 H TYR 10 H TYR 10 -4.206 -0.549 -8.749 75 HA TYR 10 HA TYR 10 -5.770 -2.983 -8.346 76 HB2 TYR 10 1HB TYR 10 -4.795 -2.036 -11.078 77 HB3 TYR 10 2HB TYR 10 -5.225 -3.708 -10.739 78 HD1 TYR 10 HD2 TYR 10 -7.625 -4.246 -10.044 79 HD2 TYR 10 HD1 TYR 10 -6.519 -0.434 -11.637 80 HE1 TYR 10 HE2 TYR 10 -9.979 -3.786 -10.581 81 HE2 TYR 10 HE1 TYR 10 -8.877 0.024 -12.172 82 HH TYR 10 HH TYR 10 -11.448 -1.917 -10.996 83 HA PRO 11 HA PRO 11 -1.348 -3.609 -7.169 84 HB2 PRO 11 1HB PRO 11 -2.524 -5.875 -5.593 85 HB3 PRO 11 2HB PRO 11 -1.533 -4.515 -5.038 86 HG2 PRO 11 1HG PRO 11 -4.140 -4.618 -4.457 87 HG3 PRO 11 2HG PRO 11 -3.377 -3.069 -4.886 88 HD2 PRO 11 1HD PRO 11 -4.987 -4.934 -6.656 89 HD3 PRO 11 2HD PRO 11 -5.173 -3.178 -6.410 90 H PHE 12 H PHE 12 -0.546 -4.379 -9.126 91 HA PHE 12 HA PHE 12 -1.059 -7.144 -9.975 92 HB2 PHE 12 1HB PHE 12 0.721 -5.019 -11.257 93 HB3 PHE 12 2HB PHE 12 0.272 -6.565 -11.970 94 HD1 PHE 12 HD2 PHE 12 -2.397 -6.961 -12.111 95 HD2 PHE 12 HD1 PHE 12 -0.489 -3.135 -11.962 96 HE1 PHE 12 HE2 PHE 12 -4.372 -5.924 -13.146 97 HE2 PHE 12 HE1 PHE 12 -2.472 -2.112 -12.994 98 HZ PHE 12 HZ PHE 12 -4.411 -3.505 -13.591 99 H SER 13 H SER 13 0.858 -8.483 -10.558 100 HA SER 13 HA SER 13 3.255 -8.185 -8.945 101 HB2 SER 13 1HB SER 13 2.821 -10.386 -7.739 102 HB3 SER 13 2HB SER 13 1.737 -9.081 -7.251 103 HG SER 13 HG SER 13 0.394 -10.103 -9.108 104 H GLY 14 H GLY 14 4.539 -10.366 -9.120 105 HA2 GLY 14 1HA GLY 14 4.149 -12.064 -11.388 106 HA3 GLY 14 2HA GLY 14 5.350 -10.816 -11.737 107 H GLU 15 H GLU 15 6.783 -10.516 -9.505 108 HA GLU 15 HA GLU 15 8.095 -13.084 -9.088 109 HB2 GLU 15 1HB GLU 15 9.498 -11.053 -9.432 110 HB3 GLU 15 2HB GLU 15 8.816 -10.331 -7.975 111 HG2 GLU 15 1HG GLU 15 9.777 -12.147 -6.608 112 HG3 GLU 15 2HG GLU 15 10.433 -12.902 -8.062 113 H ARG 16 H ARG 16 6.430 -14.159 -7.999 114 HA ARG 16 HA ARG 16 5.828 -13.322 -5.232 115 HB2 ARG 16 1HB ARG 16 4.622 -15.568 -6.915 116 HB3 ARG 16 2HB ARG 16 4.123 -15.126 -5.281 117 HG2 ARG 16 1HG ARG 16 3.357 -12.924 -6.110 118 HG3 ARG 16 2HG ARG 16 3.884 -13.355 -7.743 119 HD2 ARG 16 1HD ARG 16 2.277 -15.248 -7.739 120 HD3 ARG 16 2HD ARG 16 1.721 -14.762 -6.132 121 HE ARG 16 HE ARG 16 1.352 -12.504 -7.549 122 HH11 ARG 16 1HH1 ARG 16 0.419 -15.810 -8.298 123 HH12 ARG 16 2HH1 ARG 16 -0.989 -15.334 -9.186 124 HH21 ARG 16 1HH2 ARG 16 -0.491 -11.903 -8.699 125 HH22 ARG 16 2HH2 ARG 16 -1.515 -13.109 -9.409 126 H HIS 17 H HIS 17 7.616 -13.859 -4.091 127 HA HIS 17 HA HIS 17 8.269 -16.705 -3.797 128 HB2 HIS 17 1HB HIS 17 9.955 -15.724 -5.401 129 HB3 HIS 17 2HB HIS 17 10.422 -14.559 -4.165 130 HD2 HIS 17 HD2 HIS 17 12.372 -15.451 -2.453 131 HE1 HIS 17 HE1 HIS 17 12.188 -19.526 -3.577 132 HE2 HIS 17 HE2 HIS 17 13.246 -17.851 -1.999 133 H GLY 18 H GLY 18 8.235 -17.204 -1.693 134 HA2 GLY 18 1HA GLY 18 8.302 -17.033 0.602 135 HA3 GLY 18 2HA GLY 18 9.072 -15.457 0.437 136 H GLN 19 H GLN 19 7.818 -14.375 1.932 137 HA GLN 19 HA GLN 19 4.883 -14.407 1.732 138 HB2 GLN 19 1HB GLN 19 4.959 -13.207 3.923 139 HB3 GLN 19 2HB GLN 19 5.697 -14.803 3.948 140 HG2 GLN 19 1HG GLN 19 7.906 -13.895 4.036 141 HG3 GLN 19 2HG GLN 19 7.340 -12.269 3.664 142 HE21 GLN 19 2HE2 GLN 19 6.224 -11.104 5.261 143 HE22 GLN 19 1HE2 GLN 19 6.374 -11.500 6.929 144 H GLY 20 H GLY 20 5.564 -13.232 -0.457 145 HA2 GLY 20 1HA GLY 20 6.031 -10.441 -0.480 146 HA3 GLY 20 2HA GLY 20 5.204 -11.353 -1.736 147 H LEU 21 H LEU 21 4.630 -8.661 -0.327 148 HA LEU 21 HA LEU 21 2.253 -9.179 1.292 149 HB2 LEU 21 1HB LEU 21 3.890 -7.487 2.049 150 HB3 LEU 21 2HB LEU 21 3.677 -6.591 0.560 151 HG LEU 21 HG LEU 21 1.237 -6.222 1.236 152 HD11 LEU 21 1HD1 LEU 21 1.025 -8.028 2.873 153 HD12 LEU 21 2HD1 LEU 21 0.627 -6.467 3.584 154 HD13 LEU 21 3HD1 LEU 21 2.184 -7.221 3.936 155 HD21 LEU 21 3HD2 LEU 21 1.721 -4.361 2.746 156 HD22 LEU 21 1HD2 LEU 21 2.914 -4.435 1.449 157 HD23 LEU 21 2HD2 LEU 21 3.330 -5.007 3.065 158 H ARG 22 H ARG 22 0.330 -9.392 0.336 159 HA ARG 22 HA ARG 22 -0.177 -8.251 -2.342 160 HB2 ARG 22 1HB ARG 22 -1.729 -10.367 -0.783 161 HB3 ARG 22 2HB ARG 22 -2.012 -9.895 -2.464 162 HG2 ARG 22 1HG ARG 22 0.183 -10.789 -3.110 163 HG3 ARG 22 2HG ARG 22 0.542 -11.168 -1.423 164 HD2 ARG 22 1HD ARG 22 -1.630 -12.421 -3.150 165 HD3 ARG 22 2HD ARG 22 -0.134 -13.193 -2.619 166 HE ARG 22 HE ARG 22 -1.183 -12.662 -0.260 167 HH11 ARG 22 1HH1 ARG 22 -2.886 -13.895 -3.079 168 HH12 ARG 22 2HH1 ARG 22 -4.047 -14.769 -2.131 169 HH21 ARG 22 1HH2 ARG 22 -2.725 -13.799 0.953 170 HH22 ARG 22 2HH2 ARG 22 -3.956 -14.712 0.144 171 H PHE 23 H PHE 23 -1.180 -6.362 -2.311 172 HA PHE 23 HA PHE 23 -3.085 -5.558 -0.238 173 HB2 PHE 23 1HB PHE 23 -2.282 -4.126 -2.817 174 HB3 PHE 23 2HB PHE 23 -3.268 -3.439 -1.533 175 HD1 PHE 23 HD1 PHE 23 -1.999 -3.713 0.918 176 HD2 PHE 23 HD2 PHE 23 -0.107 -3.293 -2.895 177 HE1 PHE 23 HE1 PHE 23 -0.010 -2.763 1.999 178 HE2 PHE 23 HE2 PHE 23 1.882 -2.350 -1.798 179 HZ PHE 23 HZ PHE 23 1.930 -2.084 0.646 180 H ALA 24 H ALA 24 -5.316 -5.066 -0.722 181 HA ALA 24 HA ALA 24 -6.547 -6.492 -2.977 182 HB1 ALA 24 3HB ALA 24 -7.826 -4.892 -0.704 183 HB2 ALA 24 1HB ALA 24 -7.630 -6.648 -0.755 184 HB3 ALA 24 2HB ALA 24 -8.694 -5.848 -1.909 185 H ALA 25 H ALA 25 -7.828 -5.337 -4.571 186 HA ALA 25 HA ALA 25 -6.937 -2.738 -5.369 187 HB1 ALA 25 3HB ALA 25 -9.330 -4.333 -6.359 188 HB2 ALA 25 1HB ALA 25 -7.690 -4.414 -7.012 189 HB3 ALA 25 2HB ALA 25 -8.625 -2.924 -7.157 190 H GLY 26 H GLY 26 -7.797 -0.749 -4.965 191 HA2 GLY 26 1HA GLY 26 -9.235 0.913 -4.256 192 HA3 GLY 26 2HA GLY 26 -10.490 -0.286 -3.998 193 H GLU 27 H GLU 27 -7.597 -1.136 -2.460 194 HA GLU 27 HA GLU 27 -8.832 -0.976 0.141 195 HB2 GLU 27 1HB GLU 27 -7.507 -2.943 -0.617 196 HB3 GLU 27 2HB GLU 27 -6.061 -1.954 -0.681 197 HG2 GLU 27 1HG GLU 27 -6.093 -3.369 1.303 198 HG3 GLU 27 2HG GLU 27 -6.110 -1.659 1.735 199 H LEU 28 H LEU 28 -8.216 0.250 1.886 200 HA LEU 28 HA LEU 28 -6.698 2.709 1.338 201 HB2 LEU 28 1HB LEU 28 -8.418 1.960 3.744 202 HB3 LEU 28 2HB LEU 28 -7.669 3.530 3.470 203 HG LEU 28 HG LEU 28 -9.913 2.270 1.835 204 HD11 LEU 28 1HD1 LEU 28 -10.647 3.199 3.967 205 HD12 LEU 28 2HD1 LEU 28 -11.268 4.138 2.615 206 HD13 LEU 28 3HD1 LEU 28 -9.915 4.757 3.568 207 HD21 LEU 28 3HD2 LEU 28 -8.440 3.436 0.291 208 HD22 LEU 28 1HD2 LEU 28 -8.452 4.884 1.304 209 HD23 LEU 28 2HD2 LEU 28 -9.928 4.353 0.491 210 H ILE 29 H ILE 29 -4.587 2.429 1.608 211 HA ILE 29 HA ILE 29 -3.478 0.922 3.902 212 HB ILE 29 HB ILE 29 -2.340 1.309 1.084 213 HG12 ILE 29 1HG1 ILE 29 -4.175 -0.360 1.165 214 HG13 ILE 29 2HG1 ILE 29 -2.635 -1.132 0.809 215 HG21 ILE 29 1HG2 ILE 29 -1.092 -0.159 3.443 216 HG22 ILE 29 2HG2 ILE 29 -0.507 1.329 2.695 217 HG23 ILE 29 3HG2 ILE 29 -0.477 -0.181 1.785 218 HD11 ILE 29 3HD1 ILE 29 -4.043 -1.121 3.476 219 HD12 ILE 29 1HD1 ILE 29 -2.497 -1.904 3.130 220 HD13 ILE 29 2HD1 ILE 29 -3.967 -2.457 2.330 221 H THR 30 H THR 30 -2.252 2.153 5.285 222 HA THR 30 HA THR 30 -1.354 4.850 4.541 223 HB THR 30 HB THR 30 -1.117 3.332 7.184 224 HG1 THR 30 HG1 THR 30 -2.807 5.544 6.803 225 HG21 THR 30 3HG2 THR 30 -0.613 5.538 8.197 226 HG22 THR 30 1HG2 THR 30 -0.619 6.281 6.599 227 HG23 THR 30 2HG2 THR 30 0.622 5.094 7.015 228 H LEU 31 H LEU 31 0.797 5.364 4.126 229 HA LEU 31 HA LEU 31 2.714 3.246 3.731 230 HB2 LEU 31 1HB LEU 31 4.289 5.202 3.115 231 HB3 LEU 31 2HB LEU 31 2.898 4.900 2.098 232 HG LEU 31 HG LEU 31 1.714 6.820 3.253 233 HD11 LEU 31 1HD1 LEU 31 2.971 6.991 5.314 234 HD12 LEU 31 2HD1 LEU 31 3.023 8.513 4.432 235 HD13 LEU 31 3HD1 LEU 31 4.429 7.444 4.425 236 HD21 LEU 31 3HD2 LEU 31 2.837 8.576 1.965 237 HD22 LEU 31 1HD2 LEU 31 2.690 7.087 1.031 238 HD23 LEU 31 2HD2 LEU 31 4.245 7.532 1.740 239 H LEU 32 H LEU 32 4.759 3.046 4.758 240 HA LEU 32 HA LEU 32 4.788 3.863 7.606 241 HB2 LEU 32 1HB LEU 32 6.086 1.469 6.250 242 HB3 LEU 32 2HB LEU 32 6.202 1.846 7.964 243 HG LEU 32 HG LEU 32 3.640 1.095 6.483 244 HD11 LEU 32 1HD1 LEU 32 5.254 -0.515 8.489 245 HD12 LEU 32 2HD1 LEU 32 5.119 -0.828 6.755 246 HD13 LEU 32 3HD1 LEU 32 3.700 -0.978 7.786 247 HD21 LEU 32 3HD2 LEU 32 4.069 1.708 9.432 248 HD22 LEU 32 1HD2 LEU 32 2.581 1.063 8.729 249 HD23 LEU 32 2HD2 LEU 32 3.143 2.669 8.277 250 H GLN 33 H GLN 33 6.174 4.642 4.720 251 HA GLN 33 HA GLN 33 8.509 5.874 5.987 252 HB2 GLN 33 1HB GLN 33 9.030 3.551 4.772 253 HB3 GLN 33 2HB GLN 33 8.883 4.495 3.292 254 HG2 GLN 33 1HG GLN 33 10.664 6.031 4.205 255 HG3 GLN 33 2HG GLN 33 10.866 4.909 5.555 256 HE21 GLN 33 2HE2 GLN 33 11.635 2.771 5.079 257 HE22 GLN 33 1HE2 GLN 33 12.591 2.474 3.673 258 H VAL 34 H VAL 34 9.246 7.755 4.750 259 HA VAL 34 HA VAL 34 7.399 8.709 2.639 260 HB VAL 34 HB VAL 34 7.413 11.021 3.711 261 HG11 VAL 34 1HG1 VAL 34 5.648 10.532 5.381 262 HG12 VAL 34 2HG1 VAL 34 6.099 8.824 5.358 263 HG13 VAL 34 3HG1 VAL 34 5.433 9.577 3.909 264 HG21 VAL 34 3HG2 VAL 34 9.383 10.759 5.181 265 HG22 VAL 34 1HG2 VAL 34 8.526 9.551 6.141 266 HG23 VAL 34 2HG2 VAL 34 7.967 11.226 6.125 267 HA PRO 35 HA PRO 35 11.797 9.938 1.379 268 HB2 PRO 35 1HB PRO 35 12.361 8.117 -0.562 269 HB3 PRO 35 2HB PRO 35 12.733 7.803 1.142 270 HG2 PRO 35 1HG PRO 35 10.402 6.833 -0.503 271 HG3 PRO 35 2HG PRO 35 11.399 5.935 0.662 272 HD2 PRO 35 1HD PRO 35 8.933 7.002 1.274 273 HD3 PRO 35 2HD PRO 35 10.195 6.722 2.480 274 H ASP 36 H ASP 36 11.539 11.629 0.028 275 HA ASP 36 HA ASP 36 9.292 12.061 -1.616 276 HB2 ASP 36 1HB ASP 36 10.505 14.106 -2.379 277 HB3 ASP 36 2HB ASP 36 10.484 13.939 -0.631 278 H GLY 37 H GLY 37 8.894 10.766 -3.283 279 HA2 GLY 37 1HA GLY 37 9.071 9.749 -5.334 280 HA3 GLY 37 2HA GLY 37 10.585 10.607 -5.591 281 H GLY 38 H GLY 38 9.439 8.154 -3.260 282 HA2 GLY 38 1HA GLY 38 11.503 6.241 -4.163 283 HA3 GLY 38 2HA GLY 38 11.460 6.723 -2.471 284 H TRP 39 H TRP 39 11.245 4.257 -2.430 285 HA TRP 39 HA TRP 39 8.635 3.132 -3.041 286 HB2 TRP 39 1HB TRP 39 10.846 1.832 -1.394 287 HB3 TRP 39 2HB TRP 39 9.543 1.026 -2.259 288 HD1 TRP 39 HD1 TRP 39 12.976 2.660 -2.808 289 HE1 TRP 39 HE1 TRP 39 13.877 1.956 -5.104 290 HE3 TRP 39 HE3 TRP 39 8.823 0.281 -4.642 291 HZ2 TRP 39 HZ2 TRP 39 12.976 0.604 -7.388 292 HZ3 TRP 39 HZ3 TRP 39 8.941 -0.695 -6.900 293 HH2 TRP 39 HH2 TRP 39 10.974 -0.538 -8.245 294 H TRP 40 H TRP 40 7.032 2.672 -1.543 295 HA TRP 40 HA TRP 40 7.409 3.596 1.258 296 HB2 TRP 40 1HB TRP 40 4.834 3.593 -0.395 297 HB3 TRP 40 2HB TRP 40 4.983 4.126 1.277 298 HD1 TRP 40 HD1 TRP 40 7.517 5.993 1.042 299 HE1 TRP 40 HE1 TRP 40 7.380 8.218 -0.230 300 HE3 TRP 40 HE3 TRP 40 3.428 5.009 -1.850 301 HZ2 TRP 40 HZ2 TRP 40 5.754 9.413 -2.190 302 HZ3 TRP 40 HZ3 TRP 40 2.628 6.755 -3.393 303 HH2 TRP 40 HH2 TRP 40 3.768 8.918 -3.557 304 H GLU 41 H GLU 41 6.933 2.131 2.855 305 HA GLU 41 HA GLU 41 6.118 -0.567 2.085 306 HB2 GLU 41 1HB GLU 41 6.794 0.510 4.864 307 HB3 GLU 41 2HB GLU 41 6.430 -1.166 4.481 308 HG2 GLU 41 1HG GLU 41 8.743 -1.144 4.654 309 HG3 GLU 41 2HG GLU 41 8.469 -1.090 2.917 310 H GLY 42 H GLY 42 4.086 -1.197 2.093 311 HA2 GLY 42 1HA GLY 42 1.982 0.456 3.237 312 HA3 GLY 42 2HA GLY 42 1.790 -1.005 2.276 313 H GLU 43 H GLU 43 0.759 -0.051 5.002 314 HA GLU 43 HA GLU 43 1.429 -2.462 6.594 315 HB2 GLU 43 1HB GLU 43 0.242 -1.346 8.460 316 HB3 GLU 43 2HB GLU 43 1.539 -0.330 7.841 317 HG2 GLU 43 1HG GLU 43 -0.007 1.122 6.721 318 HG3 GLU 43 2HG GLU 43 -1.349 0.022 7.007 319 H LYS 44 H LYS 44 -0.136 -3.951 7.044 320 HA LYS 44 HA LYS 44 -2.908 -3.492 6.129 321 HB2 LYS 44 1HB LYS 44 -1.211 -5.988 5.740 322 HB3 LYS 44 2HB LYS 44 -2.971 -6.021 5.648 323 HG2 LYS 44 1HG LYS 44 -2.799 -4.290 3.785 324 HG3 LYS 44 2HG LYS 44 -1.048 -4.539 3.815 325 HD2 LYS 44 1HD LYS 44 -2.113 -5.891 2.044 326 HD3 LYS 44 2HD LYS 44 -1.365 -6.925 3.265 327 HE2 LYS 44 1HE LYS 44 -3.663 -7.148 4.337 328 HE3 LYS 44 2HE LYS 44 -4.326 -6.316 2.928 329 HZ1 LYS 44 3HZ LYS 44 -2.783 -8.843 2.841 330 HZ2 LYS 44 1HZ LYS 44 -3.547 -8.086 1.542 331 HZ3 LYS 44 2HZ LYS 44 -4.466 -8.737 2.797 332 H GLU 45 H GLU 45 -4.513 -4.474 7.348 333 HA GLU 45 HA GLU 45 -4.108 -4.924 10.139 334 HB2 GLU 45 1HB GLU 45 -6.511 -5.720 8.425 335 HB3 GLU 45 2HB GLU 45 -6.496 -5.529 10.181 336 HG2 GLU 45 1HG GLU 45 -6.128 -3.318 8.123 337 HG3 GLU 45 2HG GLU 45 -7.582 -3.627 9.068 338 H ASP 46 H ASP 46 -4.053 -6.941 7.320 339 HA ASP 46 HA ASP 46 -4.143 -9.554 8.206 340 HB2 ASP 46 1HB ASP 46 -3.893 -8.966 5.857 341 HB3 ASP 46 2HB ASP 46 -2.346 -8.193 6.153 342 H GLY 47 H GLY 47 -1.477 -7.218 8.489 343 HA2 GLY 47 1HA GLY 47 -0.238 -7.125 10.546 344 HA3 GLY 47 2HA GLY 47 -0.276 -8.878 10.635 345 H LEU 48 H LEU 48 0.378 -8.356 7.451 346 HA LEU 48 HA LEU 48 3.288 -8.517 7.850 347 HB2 LEU 48 1HB LEU 48 1.597 -8.971 5.363 348 HB3 LEU 48 2HB LEU 48 3.353 -9.078 5.392 349 HG LEU 48 HG LEU 48 1.379 -10.911 6.810 350 HD11 LEU 48 1HD1 LEU 48 1.619 -11.352 4.423 351 HD12 LEU 48 2HD1 LEU 48 2.314 -12.663 5.370 352 HD13 LEU 48 3HD1 LEU 48 3.373 -11.482 4.589 353 HD21 LEU 48 3HD2 LEU 48 3.322 -12.196 7.645 354 HD22 LEU 48 1HD2 LEU 48 3.278 -10.565 8.311 355 HD23 LEU 48 2HD2 LEU 48 4.416 -10.957 7.020 356 H ARG 49 H ARG 49 4.562 -7.490 5.992 357 HA ARG 49 HA ARG 49 3.870 -4.703 5.418 358 HB2 ARG 49 1HB ARG 49 4.939 -4.606 7.648 359 HB3 ARG 49 2HB ARG 49 6.284 -5.588 7.082 360 HG2 ARG 49 1HG ARG 49 6.893 -3.720 5.499 361 HG3 ARG 49 2HG ARG 49 5.629 -2.737 6.244 362 HD2 ARG 49 1HD ARG 49 6.790 -2.873 8.412 363 HD3 ARG 49 2HD ARG 49 8.023 -3.923 7.698 364 HE ARG 49 HE ARG 49 7.757 -1.404 6.336 365 HH11 ARG 49 1HH1 ARG 49 9.313 -2.928 9.086 366 HH12 ARG 49 2HH1 ARG 49 10.610 -1.781 9.121 367 HH21 ARG 49 1HH2 ARG 49 9.480 0.069 6.391 368 HH22 ARG 49 2HH2 ARG 49 10.703 -0.092 7.608 369 H GLY 50 H GLY 50 5.036 -3.893 3.649 370 HA2 GLY 50 1HA GLY 50 7.430 -5.019 2.591 371 HA3 GLY 50 2HA GLY 50 6.034 -5.557 1.652 372 H TRP 51 H TRP 51 8.177 -3.904 0.710 373 HA TRP 51 HA TRP 51 7.080 -1.175 0.532 374 HB2 TRP 51 1HB TRP 51 9.379 -0.614 -0.441 375 HB3 TRP 51 2HB TRP 51 9.367 -1.116 1.243 376 HD1 TRP 51 HD1 TRP 51 10.379 -3.604 1.787 377 HE1 TRP 51 HE1 TRP 51 12.134 -5.004 0.546 378 HE3 TRP 51 HE3 TRP 51 10.289 -1.213 -2.739 379 HZ2 TRP 51 HZ2 TRP 51 13.320 -5.110 -2.004 380 HZ3 TRP 51 HZ3 TRP 51 11.765 -2.034 -4.534 381 HH2 TRP 51 HH2 TRP 51 13.251 -3.945 -4.171 382 H PHE 52 H PHE 52 6.251 -0.418 -1.271 383 HA PHE 52 HA PHE 52 6.619 -1.721 -3.884 384 HB2 PHE 52 1HB PHE 52 3.929 -1.197 -2.507 385 HB3 PHE 52 2HB PHE 52 4.063 -1.422 -4.248 386 HD1 PHE 52 HD1 PHE 52 4.572 -3.619 -5.204 387 HD2 PHE 52 HD2 PHE 52 4.293 -3.104 -0.967 388 HE1 PHE 52 HE1 PHE 52 4.530 -6.059 -4.904 389 HE2 PHE 52 HE2 PHE 52 4.252 -5.538 -0.682 390 HZ PHE 52 HZ PHE 52 4.373 -7.022 -2.642 391 HA PRO 53 HA PRO 53 6.903 2.542 -5.242 392 HB2 PRO 53 1HB PRO 53 6.248 2.374 -7.881 393 HB3 PRO 53 2HB PRO 53 7.727 1.641 -7.238 394 HG2 PRO 53 1HG PRO 53 5.071 0.338 -7.836 395 HG3 PRO 53 2HG PRO 53 6.705 -0.223 -8.255 396 HD2 PRO 53 1HD PRO 53 5.324 -1.180 -6.097 397 HD3 PRO 53 2HD PRO 53 7.097 -1.070 -6.119 398 H ALA 54 H ALA 54 5.697 4.334 -6.201 399 HA ALA 54 HA ALA 54 3.082 4.675 -5.146 400 HB1 ALA 54 3HB ALA 54 4.704 6.524 -5.350 401 HB2 ALA 54 1HB ALA 54 3.196 6.910 -6.184 402 HB3 ALA 54 2HB ALA 54 4.617 6.413 -7.109 403 H SER 55 H SER 55 4.192 3.350 -8.088 404 HA SER 55 HA SER 55 2.316 3.993 -10.018 405 HB2 SER 55 1HB SER 55 3.671 1.288 -9.632 406 HB3 SER 55 2HB SER 55 3.062 1.960 -11.151 407 HG SER 55 HG SER 55 4.995 2.766 -11.342 408 H TYR 56 H TYR 56 2.011 1.683 -7.343 409 HA TYR 56 HA TYR 56 -0.502 0.566 -8.418 410 HB2 TYR 56 1HB TYR 56 1.227 -0.334 -6.076 411 HB3 TYR 56 2HB TYR 56 -0.237 -1.154 -6.621 412 HD1 TYR 56 HD1 TYR 56 -0.280 -2.014 -9.081 413 HD2 TYR 56 HD2 TYR 56 3.330 -0.914 -7.068 414 HE1 TYR 56 HE1 TYR 56 1.024 -3.296 -10.715 415 HE2 TYR 56 HE2 TYR 56 4.631 -2.210 -8.708 416 HH TYR 56 HH TYR 56 4.287 -4.082 -10.287 417 H VAL 57 H VAL 57 0.434 3.009 -6.277 418 HA VAL 57 HA VAL 57 -2.148 2.908 -4.815 419 HB VAL 57 HB VAL 57 -1.089 3.963 -2.855 420 HG11 VAL 57 1HG1 VAL 57 -1.244 1.513 -2.864 421 HG12 VAL 57 2HG1 VAL 57 0.204 2.028 -2.001 422 HG13 VAL 57 3HG1 VAL 57 0.336 1.387 -3.642 423 HG21 VAL 57 3HG2 VAL 57 1.383 4.171 -2.633 424 HG22 VAL 57 1HG2 VAL 57 0.758 5.186 -3.936 425 HG23 VAL 57 2HG2 VAL 57 1.572 3.668 -4.315 426 H GLN 58 H GLN 58 -2.938 4.998 -4.106 427 HA GLN 58 HA GLN 58 -2.113 7.333 -5.732 428 HB2 GLN 58 1HB GLN 58 -4.140 6.247 -6.705 429 HB3 GLN 58 2HB GLN 58 -4.957 6.369 -5.150 430 HG2 GLN 58 1HG GLN 58 -4.830 8.854 -5.320 431 HG3 GLN 58 2HG GLN 58 -4.088 8.687 -6.910 432 HE21 GLN 58 2HE2 GLN 58 -5.804 6.432 -7.715 433 HE22 GLN 58 1HE2 GLN 58 -7.368 7.099 -8.007 434 H LEU 59 H LEU 59 -1.491 8.893 -4.332 435 HA LEU 59 HA LEU 59 -1.814 8.815 -1.544 436 HB2 LEU 59 1HB LEU 59 -1.106 11.139 -3.377 437 HB3 LEU 59 2HB LEU 59 -1.002 11.219 -1.622 438 HG LEU 59 HG LEU 59 0.630 9.343 -3.392 439 HD11 LEU 59 1HD1 LEU 59 2.553 10.763 -2.819 440 HD12 LEU 59 2HD1 LEU 59 1.497 11.861 -1.927 441 HD13 LEU 59 3HD1 LEU 59 1.311 11.679 -3.673 442 HD21 LEU 59 3HD2 LEU 59 1.893 8.818 -1.316 443 HD22 LEU 59 1HD2 LEU 59 0.204 8.324 -1.205 444 HD23 LEU 59 2HD2 LEU 59 0.751 9.783 -0.377 445 H LEU 60 H LEU 60 -3.330 9.583 -0.189 446 HA LEU 60 HA LEU 60 -5.727 10.937 -1.278 447 HB2 LEU 60 1HB LEU 60 -5.387 9.309 1.276 448 HB3 LEU 60 2HB LEU 60 -6.889 10.046 0.731 449 HG LEU 60 HG LEU 60 -5.400 7.777 -0.659 450 HD11 LEU 60 1HD1 LEU 60 -7.295 6.365 -0.006 451 HD12 LEU 60 2HD1 LEU 60 -8.009 7.710 0.887 452 HD13 LEU 60 3HD1 LEU 60 -6.462 7.029 1.398 453 HD21 LEU 60 3HD2 LEU 60 -8.039 9.075 -1.447 454 HD22 LEU 60 1HD2 LEU 60 -7.330 7.637 -2.193 455 HD23 LEU 60 2HD2 LEU 60 -6.511 9.189 -2.324 Start of MODEL 2 1 H1 MET 1 1H MET 1 -10.641 11.850 12.992 2 H2 MET 1 2H MET 1 -10.518 11.868 11.306 3 H3 MET 1 3H MET 1 -10.144 13.255 12.194 4 HA MET 1 HA MET 1 -8.268 12.168 13.202 5 HB2 MET 1 1HB MET 1 -9.302 9.863 13.093 6 HB3 MET 1 2HB MET 1 -8.978 9.828 11.369 7 HG2 MET 1 1HG MET 1 -6.812 10.053 13.476 8 HG3 MET 1 2HG MET 1 -7.374 8.530 12.801 9 HE1 MET 1 3HE MET 1 -6.183 8.761 9.079 10 HE2 MET 1 1HE MET 1 -7.784 9.145 9.705 11 HE3 MET 1 2HE MET 1 -6.914 7.734 10.314 12 H SER 2 H SER 2 -6.684 13.370 12.306 13 HA SER 2 HA SER 2 -6.544 13.796 9.416 14 HB2 SER 2 1HB SER 2 -6.281 15.734 10.950 15 HB3 SER 2 2HB SER 2 -4.861 14.977 11.671 16 HG SER 2 HG SER 2 -5.053 15.587 8.900 17 H GLY 3 H GLY 3 -5.041 12.826 8.104 18 HA2 GLY 3 1HA GLY 3 -2.543 11.754 8.984 19 HA3 GLY 3 2HA GLY 3 -3.735 10.473 8.776 20 H ALA 4 H ALA 4 -1.488 10.424 7.283 21 HA ALA 4 HA ALA 4 -2.306 11.240 4.556 22 HB1 ALA 4 3HB ALA 4 0.083 11.334 3.960 23 HB2 ALA 4 1HB ALA 4 0.525 10.885 5.614 24 HB3 ALA 4 2HB ALA 4 -0.273 12.426 5.300 25 H ARG 5 H ARG 5 -2.456 9.684 3.065 26 HA ARG 5 HA ARG 5 -1.166 7.109 3.259 27 HB2 ARG 5 1HB ARG 5 -3.078 5.697 3.359 28 HB3 ARG 5 2HB ARG 5 -3.377 6.891 4.613 29 HG2 ARG 5 1HG ARG 5 -4.602 7.038 1.827 30 HG3 ARG 5 2HG ARG 5 -5.381 6.237 3.190 31 HD2 ARG 5 1HD ARG 5 -4.593 9.173 3.163 32 HD3 ARG 5 2HD ARG 5 -6.202 8.563 2.748 33 HE ARG 5 HE ARG 5 -5.520 7.530 5.249 34 HH11 ARG 5 1HH1 ARG 5 -6.103 10.727 3.910 35 HH12 ARG 5 2HH1 ARG 5 -6.829 11.317 5.369 36 HH21 ARG 5 1HH2 ARG 5 -6.448 8.311 7.119 37 HH22 ARG 5 2HH2 ARG 5 -6.998 9.954 7.191 38 H CYS 6 H CYS 6 -1.933 5.743 1.311 39 HA CYS 6 HA CYS 6 -2.726 7.375 -1.033 40 HB2 CYS 6 1HB CYS 6 -0.830 4.990 -0.991 41 HB3 CYS 6 2HB CYS 6 -1.285 5.930 -2.414 42 HG CYS 6 HG CYS 6 -0.154 8.159 -0.437 43 H ARG 7 H ARG 7 -3.468 5.515 -2.826 44 HA ARG 7 HA ARG 7 -5.039 3.415 -1.498 45 HB2 ARG 7 1HB ARG 7 -6.515 5.422 -1.692 46 HB3 ARG 7 2HB ARG 7 -6.238 5.448 -3.431 47 HG2 ARG 7 1HG ARG 7 -7.407 3.350 -3.716 48 HG3 ARG 7 2HG ARG 7 -7.521 3.118 -1.972 49 HD2 ARG 7 1HD ARG 7 -9.670 3.830 -2.839 50 HD3 ARG 7 2HD ARG 7 -9.003 5.111 -1.822 51 HE ARG 7 HE ARG 7 -8.290 5.622 -4.504 52 HH11 ARG 7 1HH1 ARG 7 -11.190 5.580 -2.519 53 HH12 ARG 7 2HH1 ARG 7 -12.006 6.762 -3.485 54 HH21 ARG 7 1HH2 ARG 7 -9.385 7.163 -5.745 55 HH22 ARG 7 2HH2 ARG 7 -10.996 7.640 -5.313 56 H THR 8 H THR 8 -4.941 1.532 -2.613 57 HA THR 8 HA THR 8 -3.210 1.260 -4.848 58 HB THR 8 HB THR 8 -4.146 -1.193 -4.813 59 HG1 THR 8 HG1 THR 8 -5.097 -1.520 -2.582 60 HG21 THR 8 3HG2 THR 8 -2.814 -1.777 -2.829 61 HG22 THR 8 1HG2 THR 8 -2.797 -0.081 -2.320 62 HG23 THR 8 2HG2 THR 8 -1.974 -0.573 -3.800 63 H LEU 9 H LEU 9 -3.606 0.574 -6.944 64 HA LEU 9 HA LEU 9 -6.018 1.641 -8.174 65 HB2 LEU 9 1HB LEU 9 -3.574 0.340 -9.455 66 HB3 LEU 9 2HB LEU 9 -4.808 1.280 -10.291 67 HG LEU 9 HG LEU 9 -2.841 2.366 -8.227 68 HD11 LEU 9 1HD1 LEU 9 -1.723 1.786 -10.319 69 HD12 LEU 9 2HD1 LEU 9 -1.763 3.529 -10.083 70 HD13 LEU 9 3HD1 LEU 9 -2.869 2.771 -11.235 71 HD21 LEU 9 3HD2 LEU 9 -4.957 3.587 -8.138 72 HD22 LEU 9 1HD2 LEU 9 -4.904 3.861 -9.884 73 HD23 LEU 9 2HD2 LEU 9 -3.690 4.594 -8.829 74 H TYR 10 H TYR 10 -4.258 -1.464 -8.138 75 HA TYR 10 HA TYR 10 -6.734 -2.989 -8.623 76 HB2 TYR 10 1HB TYR 10 -4.178 -3.212 -10.309 77 HB3 TYR 10 2HB TYR 10 -5.479 -4.399 -10.341 78 HD1 TYR 10 HD2 TYR 10 -7.898 -3.463 -10.911 79 HD2 TYR 10 HD1 TYR 10 -4.263 -1.414 -11.848 80 HE1 TYR 10 HE2 TYR 10 -9.086 -2.116 -12.588 81 HE2 TYR 10 HE1 TYR 10 -5.461 -0.073 -13.510 82 HH TYR 10 HH TYR 10 -8.843 0.047 -13.707 83 HA PRO 11 HA PRO 11 -4.879 -5.838 -5.635 84 HB2 PRO 11 1HB PRO 11 -5.483 -8.245 -7.307 85 HB3 PRO 11 2HB PRO 11 -6.077 -7.822 -5.694 86 HG2 PRO 11 1HG PRO 11 -7.695 -7.683 -7.837 87 HG3 PRO 11 2HG PRO 11 -7.796 -6.482 -6.531 88 HD2 PRO 11 1HD PRO 11 -6.429 -6.230 -9.222 89 HD3 PRO 11 2HD PRO 11 -7.503 -5.077 -8.392 90 H PHE 12 H PHE 12 -2.728 -5.268 -5.861 91 HA PHE 12 HA PHE 12 -1.059 -6.527 -7.935 92 HB2 PHE 12 1HB PHE 12 -0.481 -4.244 -5.992 93 HB3 PHE 12 2HB PHE 12 0.699 -4.897 -7.124 94 HD1 PHE 12 HD1 PHE 12 -0.493 -5.152 -9.654 95 HD2 PHE 12 HD2 PHE 12 -1.323 -2.167 -6.704 96 HE1 PHE 12 HE1 PHE 12 -1.254 -3.610 -11.416 97 HE2 PHE 12 HE2 PHE 12 -2.085 -0.639 -8.475 98 HZ PHE 12 HZ PHE 12 -2.050 -1.355 -10.829 99 H SER 13 H SER 13 0.928 -7.500 -7.401 100 HA SER 13 HA SER 13 1.104 -8.776 -4.733 101 HB2 SER 13 1HB SER 13 1.634 -9.986 -7.488 102 HB3 SER 13 2HB SER 13 2.003 -10.796 -5.964 103 HG SER 13 HG SER 13 -0.059 -11.335 -6.967 104 H GLY 14 H GLY 14 2.631 -6.734 -6.945 105 HA2 GLY 14 1HA GLY 14 4.751 -5.727 -6.701 106 HA3 GLY 14 2HA GLY 14 5.304 -7.107 -5.763 107 H GLU 15 H GLU 15 4.590 -9.219 -7.342 108 HA GLU 15 HA GLU 15 5.205 -10.570 -9.035 109 HB2 GLU 15 1HB GLU 15 5.177 -7.991 -10.667 110 HB3 GLU 15 2HB GLU 15 5.309 -9.603 -11.372 111 HG2 GLU 15 1HG GLU 15 3.099 -10.198 -10.539 112 HG3 GLU 15 2HG GLU 15 2.957 -8.658 -9.693 113 H ARG 16 H ARG 16 7.260 -9.008 -7.415 114 HA ARG 16 HA ARG 16 9.656 -9.741 -8.986 115 HB2 ARG 16 1HB ARG 16 9.441 -7.535 -6.872 116 HB3 ARG 16 2HB ARG 16 10.902 -7.986 -7.758 117 HG2 ARG 16 1HG ARG 16 9.763 -7.268 -9.888 118 HG3 ARG 16 2HG ARG 16 8.385 -6.726 -8.922 119 HD2 ARG 16 1HD ARG 16 9.918 -5.141 -7.718 120 HD3 ARG 16 2HD ARG 16 11.229 -5.654 -8.792 121 HE ARG 16 HE ARG 16 8.846 -4.647 -10.127 122 HH11 ARG 16 1HH1 ARG 16 12.060 -3.844 -8.943 123 HH12 ARG 16 2HH1 ARG 16 12.138 -2.352 -9.817 124 HH21 ARG 16 1HH2 ARG 16 8.962 -2.673 -11.257 125 HH22 ARG 16 2HH2 ARG 16 10.381 -1.680 -11.127 126 H HIS 17 H HIS 17 11.383 -10.657 -7.707 127 HA HIS 17 HA HIS 17 10.529 -12.504 -5.700 128 HB2 HIS 17 1HB HIS 17 13.361 -11.794 -6.583 129 HB3 HIS 17 2HB HIS 17 12.918 -13.199 -5.609 130 HD2 HIS 17 HD2 HIS 17 10.768 -14.750 -7.209 131 HE1 HIS 17 HE1 HIS 17 13.104 -14.061 -10.668 132 HE2 HIS 17 HE2 HIS 17 11.112 -15.306 -9.713 133 H GLY 18 H GLY 18 11.302 -12.671 -3.511 134 HA2 GLY 18 1HA GLY 18 12.488 -11.804 -1.599 135 HA3 GLY 18 2HA GLY 18 12.296 -10.176 -2.237 136 H GLN 19 H GLN 19 10.696 -8.997 -1.326 137 HA GLN 19 HA GLN 19 8.720 -10.308 0.397 138 HB2 GLN 19 1HB GLN 19 10.097 -8.412 1.311 139 HB3 GLN 19 2HB GLN 19 9.380 -7.339 0.121 140 HG2 GLN 19 1HG GLN 19 8.302 -7.020 2.270 141 HG3 GLN 19 2HG GLN 19 7.155 -7.707 1.120 142 HE21 GLN 19 2HE2 GLN 19 9.061 -8.323 3.986 143 HE22 GLN 19 1HE2 GLN 19 8.252 -9.777 4.450 144 H GLY 20 H GLY 20 7.677 -11.156 -1.515 145 HA2 GLY 20 1HA GLY 20 6.046 -9.391 -3.158 146 HA3 GLY 20 2HA GLY 20 6.079 -11.153 -3.189 147 H LEU 21 H LEU 21 4.695 -8.355 -1.652 148 HA LEU 21 HA LEU 21 2.847 -9.985 -0.044 149 HB2 LEU 21 1HB LEU 21 4.056 -8.034 1.010 150 HB3 LEU 21 2HB LEU 21 3.228 -6.954 -0.098 151 HG LEU 21 HG LEU 21 1.030 -7.706 0.912 152 HD11 LEU 21 1HD1 LEU 21 1.722 -9.873 1.841 153 HD12 LEU 21 2HD1 LEU 21 1.006 -8.839 3.077 154 HD13 LEU 21 3HD1 LEU 21 2.760 -9.052 3.016 155 HD21 LEU 21 3HD2 LEU 21 2.985 -6.407 2.833 156 HD22 LEU 21 1HD2 LEU 21 1.224 -6.351 2.951 157 HD23 LEU 21 2HD2 LEU 21 2.038 -5.588 1.591 158 H ARG 22 H ARG 22 0.805 -10.367 -0.791 159 HA ARG 22 HA ARG 22 -0.360 -9.005 -3.069 160 HB2 ARG 22 1HB ARG 22 -1.417 -11.068 -1.099 161 HB3 ARG 22 2HB ARG 22 -2.518 -10.253 -2.192 162 HG2 ARG 22 1HG ARG 22 -2.041 -12.350 -3.169 163 HG3 ARG 22 2HG ARG 22 -1.168 -11.156 -4.123 164 HD2 ARG 22 1HD ARG 22 0.217 -12.693 -1.913 165 HD3 ARG 22 2HD ARG 22 0.003 -13.402 -3.518 166 HE ARG 22 HE ARG 22 1.203 -10.785 -3.571 167 HH11 ARG 22 1HH1 ARG 22 1.982 -14.152 -3.014 168 HH12 ARG 22 2HH1 ARG 22 3.583 -14.008 -3.668 169 HH21 ARG 22 1HH2 ARG 22 3.295 -10.627 -4.410 170 HH22 ARG 22 2HH2 ARG 22 4.314 -12.026 -4.463 171 H PHE 23 H PHE 23 -2.320 -7.669 -2.919 172 HA PHE 23 HA PHE 23 -3.286 -6.818 -0.330 173 HB2 PHE 23 1HB PHE 23 -1.188 -5.376 -0.894 174 HB3 PHE 23 2HB PHE 23 -2.179 -4.615 -2.132 175 HD1 PHE 23 HD2 PHE 23 -1.994 -5.300 1.541 176 HD2 PHE 23 HD1 PHE 23 -3.645 -2.823 -1.529 177 HE1 PHE 23 HE2 PHE 23 -2.878 -3.763 3.247 178 HE2 PHE 23 HE1 PHE 23 -4.516 -1.292 0.182 179 HZ PHE 23 HZ PHE 23 -4.140 -1.759 2.572 180 H ALA 24 H ALA 24 -5.248 -5.686 -0.468 181 HA ALA 24 HA ALA 24 -6.883 -6.395 -2.731 182 HB1 ALA 24 3HB ALA 24 -7.721 -6.648 -0.437 183 HB2 ALA 24 1HB ALA 24 -8.739 -5.526 -1.344 184 HB3 ALA 24 2HB ALA 24 -7.575 -4.913 -0.166 185 H ALA 25 H ALA 25 -7.890 -4.987 -4.180 186 HA ALA 25 HA ALA 25 -6.599 -2.526 -4.843 187 HB1 ALA 25 3HB ALA 25 -8.266 -2.393 -6.651 188 HB2 ALA 25 1HB ALA 25 -9.194 -3.700 -5.905 189 HB3 ALA 25 2HB ALA 25 -7.583 -4.014 -6.544 190 H GLY 26 H GLY 26 -7.296 -0.433 -4.616 191 HA2 GLY 26 1HA GLY 26 -8.622 1.375 -4.127 192 HA3 GLY 26 2HA GLY 26 -9.996 0.295 -3.940 193 H GLU 27 H GLU 27 -7.124 -0.338 -2.088 194 HA GLU 27 HA GLU 27 -8.521 0.521 0.383 195 HB2 GLU 27 1HB GLU 27 -6.476 -1.700 -0.048 196 HB3 GLU 27 2HB GLU 27 -7.140 -1.236 1.523 197 HG2 GLU 27 1HG GLU 27 -8.715 -2.348 -0.830 198 HG3 GLU 27 2HG GLU 27 -8.224 -3.249 0.607 199 H LEU 28 H LEU 28 -7.157 1.214 2.154 200 HA LEU 28 HA LEU 28 -5.487 3.375 1.227 201 HB2 LEU 28 1HB LEU 28 -6.314 2.665 4.078 202 HB3 LEU 28 2HB LEU 28 -5.569 4.175 3.561 203 HG LEU 28 HG LEU 28 -8.364 3.184 2.870 204 HD11 LEU 28 1HD1 LEU 28 -8.173 4.101 5.123 205 HD12 LEU 28 2HD1 LEU 28 -9.151 5.143 4.097 206 HD13 LEU 28 3HD1 LEU 28 -7.488 5.597 4.485 207 HD21 LEU 28 3HD2 LEU 28 -8.705 5.288 1.644 208 HD22 LEU 28 1HD2 LEU 28 -7.461 4.292 0.895 209 HD23 LEU 28 2HD2 LEU 28 -7.001 5.702 1.855 210 H ILE 29 H ILE 29 -3.350 3.294 1.101 211 HA ILE 29 HA ILE 29 -1.751 1.299 2.515 212 HB ILE 29 HB ILE 29 -0.953 3.496 0.538 213 HG12 ILE 29 1HG1 ILE 29 -2.289 1.746 -0.537 214 HG13 ILE 29 2HG1 ILE 29 -0.613 1.583 -1.049 215 HG21 ILE 29 1HG2 ILE 29 0.951 3.021 2.020 216 HG22 ILE 29 2HG2 ILE 29 1.270 2.391 0.403 217 HG23 ILE 29 3HG2 ILE 29 0.803 1.289 1.700 218 HD11 ILE 29 3HD1 ILE 29 -1.574 -0.574 -0.623 219 HD12 ILE 29 1HD1 ILE 29 -2.019 -0.101 1.013 220 HD13 ILE 29 2HD1 ILE 29 -0.315 -0.249 0.565 221 H THR 30 H THR 30 -1.522 1.778 4.606 222 HA THR 30 HA THR 30 -1.245 4.414 5.692 223 HB THR 30 HB THR 30 -0.654 3.150 7.818 224 HG1 THR 30 HG1 THR 30 0.294 1.293 6.977 225 HG21 THR 30 3HG2 THR 30 -3.021 3.692 7.294 226 HG22 THR 30 1HG2 THR 30 -2.892 2.147 8.139 227 HG23 THR 30 2HG2 THR 30 -3.171 2.179 6.396 228 H LEU 31 H LEU 31 0.493 5.583 5.238 229 HA LEU 31 HA LEU 31 2.945 4.525 4.267 230 HB2 LEU 31 1HB LEU 31 2.520 7.354 5.329 231 HB3 LEU 31 2HB LEU 31 3.740 6.810 4.186 232 HG LEU 31 HG LEU 31 0.748 7.092 3.670 233 HD11 LEU 31 1HD1 LEU 31 1.957 9.218 3.667 234 HD12 LEU 31 2HD1 LEU 31 1.403 8.814 2.047 235 HD13 LEU 31 3HD1 LEU 31 3.104 8.598 2.475 236 HD21 LEU 31 3HD2 LEU 31 2.857 6.000 1.761 237 HD22 LEU 31 1HD2 LEU 31 1.186 6.383 1.341 238 HD23 LEU 31 2HD2 LEU 31 1.529 5.094 2.486 239 H LEU 32 H LEU 32 3.817 3.137 5.736 240 HA LEU 32 HA LEU 32 4.227 3.661 8.528 241 HB2 LEU 32 1HB LEU 32 5.485 1.552 6.717 242 HB3 LEU 32 2HB LEU 32 5.530 1.542 8.474 243 HG LEU 32 HG LEU 32 3.018 1.223 6.779 244 HD11 LEU 32 1HD1 LEU 32 4.488 -0.718 6.572 245 HD12 LEU 32 2HD1 LEU 32 3.053 -1.125 7.496 246 HD13 LEU 32 3HD1 LEU 32 4.584 -0.870 8.330 247 HD21 LEU 32 3HD2 LEU 32 1.883 0.631 8.897 248 HD22 LEU 32 1HD2 LEU 32 2.495 2.286 8.930 249 HD23 LEU 32 2HD2 LEU 32 3.354 1.012 9.797 250 H GLN 33 H GLN 33 6.397 3.318 5.730 251 HA GLN 33 HA GLN 33 8.485 4.918 7.064 252 HB2 GLN 33 1HB GLN 33 8.646 3.261 4.495 253 HB3 GLN 33 2HB GLN 33 9.992 4.084 5.283 254 HG2 GLN 33 1HG GLN 33 8.422 1.717 6.377 255 HG3 GLN 33 2HG GLN 33 10.067 1.690 5.730 256 HE21 GLN 33 2HE2 GLN 33 8.063 2.485 8.468 257 HE22 GLN 33 1HE2 GLN 33 9.345 2.817 9.575 258 H VAL 34 H VAL 34 9.018 6.903 6.271 259 HA VAL 34 HA VAL 34 7.762 7.930 3.813 260 HB VAL 34 HB VAL 34 7.378 10.168 5.081 261 HG11 VAL 34 1HG1 VAL 34 5.593 7.799 5.788 262 HG12 VAL 34 2HG1 VAL 34 5.511 8.751 4.304 263 HG13 VAL 34 3HG1 VAL 34 5.120 9.500 5.852 264 HG21 VAL 34 3HG2 VAL 34 6.960 10.031 7.535 265 HG22 VAL 34 1HG2 VAL 34 8.643 9.651 7.154 266 HG23 VAL 34 2HG2 VAL 34 7.511 8.351 7.534 267 HA PRO 35 HA PRO 35 12.251 9.083 3.771 268 HB2 PRO 35 1HB PRO 35 12.789 8.326 1.232 269 HB3 PRO 35 2HB PRO 35 12.677 7.128 2.533 270 HG2 PRO 35 1HG PRO 35 10.598 7.911 0.484 271 HG3 PRO 35 2HG PRO 35 11.099 6.283 0.995 272 HD2 PRO 35 1HD PRO 35 8.862 7.548 1.983 273 HD3 PRO 35 2HD PRO 35 9.783 6.346 2.911 274 H ASP 36 H ASP 36 13.357 10.394 1.825 275 HA ASP 36 HA ASP 36 11.887 12.845 1.456 276 HB2 ASP 36 1HB ASP 36 14.553 11.960 0.266 277 HB3 ASP 36 2HB ASP 36 13.930 13.609 0.241 278 H GLY 37 H GLY 37 12.386 9.952 -0.403 279 HA2 GLY 37 1HA GLY 37 10.259 10.444 -2.176 280 HA3 GLY 37 2HA GLY 37 11.766 10.817 -3.015 281 H GLY 38 H GLY 38 10.380 8.879 -4.115 282 HA2 GLY 38 1HA GLY 38 11.280 6.853 -5.060 283 HA3 GLY 38 2HA GLY 38 11.806 6.364 -3.456 284 H TRP 39 H TRP 39 10.372 5.318 -2.110 285 HA TRP 39 HA TRP 39 7.584 4.910 -2.973 286 HB2 TRP 39 1HB TRP 39 7.754 2.492 -2.818 287 HB3 TRP 39 2HB TRP 39 9.028 3.041 -3.895 288 HD1 TRP 39 HD1 TRP 39 11.600 3.240 -2.584 289 HE1 TRP 39 HE1 TRP 39 12.623 1.566 -0.923 290 HE3 TRP 39 HE3 TRP 39 7.340 0.820 -1.123 291 HZ2 TRP 39 HZ2 TRP 39 11.756 -0.506 0.790 292 HZ3 TRP 39 HZ3 TRP 39 7.505 -0.996 0.520 293 HH2 TRP 39 HH2 TRP 39 9.675 -1.650 1.469 294 H TRP 40 H TRP 40 6.286 3.838 -1.226 295 HA TRP 40 HA TRP 40 7.292 4.406 1.513 296 HB2 TRP 40 1HB TRP 40 4.428 4.732 0.484 297 HB3 TRP 40 2HB TRP 40 4.944 4.974 2.153 298 HD1 TRP 40 HD1 TRP 40 6.635 7.140 2.567 299 HE1 TRP 40 HE1 TRP 40 6.703 9.405 1.367 300 HE3 TRP 40 HE3 TRP 40 4.078 5.893 -1.681 301 HZ2 TRP 40 HZ2 TRP 40 5.800 10.536 -1.042 302 HZ3 TRP 40 HZ3 TRP 40 3.719 7.626 -3.387 303 HH2 TRP 40 HH2 TRP 40 4.563 9.901 -3.075 304 H GLU 41 H GLU 41 6.658 2.928 3.108 305 HA GLU 41 HA GLU 41 5.934 0.260 2.153 306 HB2 GLU 41 1HB GLU 41 7.878 0.557 3.681 307 HB3 GLU 41 2HB GLU 41 6.805 1.257 4.893 308 HG2 GLU 41 1HG GLU 41 5.589 -0.907 5.050 309 HG3 GLU 41 2HG GLU 41 6.705 -1.601 3.862 310 H GLY 42 H GLY 42 3.991 -0.704 2.650 311 HA2 GLY 42 1HA GLY 42 2.011 0.761 4.316 312 HA3 GLY 42 2HA GLY 42 1.598 -0.112 2.846 313 H GLU 43 H GLU 43 0.419 -0.601 5.357 314 HA GLU 43 HA GLU 43 1.560 -3.195 6.209 315 HB2 GLU 43 1HB GLU 43 1.343 -1.271 7.890 316 HB3 GLU 43 2HB GLU 43 -0.400 -1.466 7.777 317 HG2 GLU 43 1HG GLU 43 -0.202 -3.769 8.609 318 HG3 GLU 43 2HG GLU 43 1.552 -3.613 8.682 319 H LYS 44 H LYS 44 0.482 -4.885 5.403 320 HA LYS 44 HA LYS 44 -2.295 -4.832 4.587 321 HB2 LYS 44 1HB LYS 44 -0.452 -6.284 3.527 322 HB3 LYS 44 2HB LYS 44 -0.531 -7.297 4.965 323 HG2 LYS 44 1HG LYS 44 -2.909 -7.776 4.470 324 HG3 LYS 44 2HG LYS 44 -2.803 -6.760 3.032 325 HD2 LYS 44 1HD LYS 44 -1.013 -8.343 2.171 326 HD3 LYS 44 2HD LYS 44 -1.377 -9.391 3.550 327 HE2 LYS 44 1HE LYS 44 -3.304 -8.583 1.337 328 HE3 LYS 44 2HE LYS 44 -2.572 -10.173 1.562 329 HZ1 LYS 44 3HZ LYS 44 -4.417 -8.860 3.485 330 HZ2 LYS 44 1HZ LYS 44 -3.761 -10.414 3.634 331 HZ3 LYS 44 2HZ LYS 44 -4.850 -10.064 2.386 332 H GLU 45 H GLU 45 -3.940 -6.268 5.585 333 HA GLU 45 HA GLU 45 -4.194 -5.703 8.356 334 HB2 GLU 45 1HB GLU 45 -5.921 -7.401 6.521 335 HB3 GLU 45 2HB GLU 45 -6.383 -6.918 8.158 336 HG2 GLU 45 1HG GLU 45 -6.329 -4.552 7.491 337 HG3 GLU 45 2HG GLU 45 -5.798 -5.003 5.868 338 H ASP 46 H ASP 46 -2.637 -8.333 6.887 339 HA ASP 46 HA ASP 46 -2.984 -10.293 8.985 340 HB2 ASP 46 1HB ASP 46 -0.830 -10.069 6.826 341 HB3 ASP 46 2HB ASP 46 -1.064 -11.467 7.876 342 H GLY 47 H GLY 47 -1.411 -7.353 8.924 343 HA2 GLY 47 1HA GLY 47 0.023 -6.354 10.453 344 HA3 GLY 47 2HA GLY 47 0.436 -7.933 11.105 345 H LEU 48 H LEU 48 0.673 -8.335 7.873 346 HA LEU 48 HA LEU 48 3.558 -8.289 7.853 347 HB2 LEU 48 1HB LEU 48 1.520 -9.058 5.730 348 HB3 LEU 48 2HB LEU 48 3.260 -9.192 5.504 349 HG LEU 48 HG LEU 48 1.608 -10.733 7.557 350 HD11 LEU 48 1HD1 LEU 48 2.939 -11.694 4.995 351 HD12 LEU 48 2HD1 LEU 48 1.204 -11.545 5.288 352 HD13 LEU 48 3HD1 LEU 48 2.146 -12.725 6.193 353 HD21 LEU 48 3HD2 LEU 48 4.589 -10.904 6.968 354 HD22 LEU 48 1HD2 LEU 48 3.683 -11.979 8.038 355 HD23 LEU 48 2HD2 LEU 48 3.843 -10.272 8.439 356 H ARG 49 H ARG 49 4.856 -6.970 6.721 357 HA ARG 49 HA ARG 49 3.750 -4.558 5.415 358 HB2 ARG 49 1HB ARG 49 6.613 -4.932 6.401 359 HB3 ARG 49 2HB ARG 49 5.775 -3.420 6.033 360 HG2 ARG 49 1HG ARG 49 4.332 -3.751 8.019 361 HG3 ARG 49 2HG ARG 49 5.164 -5.268 8.378 362 HD2 ARG 49 1HD ARG 49 7.317 -3.867 8.522 363 HD3 ARG 49 2HD ARG 49 6.272 -2.443 8.505 364 HE ARG 49 HE ARG 49 6.748 -4.234 10.688 365 HH11 ARG 49 1HH1 ARG 49 4.374 -1.993 9.414 366 HH12 ARG 49 2HH1 ARG 49 3.563 -1.800 10.932 367 HH21 ARG 49 1HH2 ARG 49 5.698 -3.958 12.678 368 HH22 ARG 49 2HH2 ARG 49 4.332 -2.894 12.784 369 H GLY 50 H GLY 50 4.711 -3.928 3.377 370 HA2 GLY 50 1HA GLY 50 6.479 -5.792 2.000 371 HA3 GLY 50 2HA GLY 50 4.819 -5.767 1.420 372 H TRP 51 H TRP 51 6.347 -5.259 -0.487 373 HA TRP 51 HA TRP 51 7.261 -2.568 -0.788 374 HB2 TRP 51 1HB TRP 51 7.000 -4.984 -2.577 375 HB3 TRP 51 2HB TRP 51 7.188 -3.411 -3.345 376 HD1 TRP 51 HD1 TRP 51 9.136 -5.887 -1.110 377 HE1 TRP 51 HE1 TRP 51 11.627 -5.239 -1.203 378 HE3 TRP 51 HE3 TRP 51 8.731 -1.524 -3.724 379 HZ2 TRP 51 HZ2 TRP 51 13.209 -3.141 -2.230 380 HZ3 TRP 51 HZ3 TRP 51 10.777 -0.248 -4.229 381 HH2 TRP 51 HH2 TRP 51 12.971 -1.044 -3.497 382 H PHE 52 H PHE 52 6.104 -0.828 -1.245 383 HA PHE 52 HA PHE 52 3.732 -1.004 -2.932 384 HB2 PHE 52 1HB PHE 52 3.790 0.376 -0.215 385 HB3 PHE 52 2HB PHE 52 2.557 0.709 -1.432 386 HD1 PHE 52 HD2 PHE 52 1.165 -1.279 -2.301 387 HD2 PHE 52 HD1 PHE 52 3.512 -1.477 1.268 388 HE1 PHE 52 HE2 PHE 52 -0.123 -3.236 -1.552 389 HE2 PHE 52 HE1 PHE 52 2.224 -3.437 1.999 390 HZ PHE 52 HZ PHE 52 0.404 -4.316 0.592 391 HA PRO 53 HA PRO 53 6.445 2.323 -4.676 392 HB2 PRO 53 1HB PRO 53 5.133 1.247 -7.152 393 HB3 PRO 53 2HB PRO 53 6.842 1.606 -6.858 394 HG2 PRO 53 1HG PRO 53 5.967 -0.935 -6.966 395 HG3 PRO 53 2HG PRO 53 7.230 -0.451 -5.810 396 HD2 PRO 53 1HD PRO 53 4.288 -0.904 -5.330 397 HD3 PRO 53 2HD PRO 53 5.680 -1.402 -4.344 398 H ALA 54 H ALA 54 5.744 4.317 -5.383 399 HA ALA 54 HA ALA 54 3.080 5.211 -5.077 400 HB1 ALA 54 3HB ALA 54 5.047 6.693 -4.852 401 HB2 ALA 54 1HB ALA 54 3.895 7.332 -6.028 402 HB3 ALA 54 2HB ALA 54 5.371 6.532 -6.578 403 H SER 55 H SER 55 4.667 3.600 -7.660 404 HA SER 55 HA SER 55 3.081 4.317 -9.893 405 HB2 SER 55 1HB SER 55 4.466 1.647 -9.367 406 HB3 SER 55 2HB SER 55 4.039 2.337 -10.945 407 HG SER 55 HG SER 55 5.470 4.153 -10.226 408 H TYR 56 H TYR 56 2.704 1.945 -7.308 409 HA TYR 56 HA TYR 56 0.547 0.448 -8.548 410 HB2 TYR 56 1HB TYR 56 1.978 0.284 -5.863 411 HB3 TYR 56 2HB TYR 56 0.565 -0.710 -6.207 412 HD1 TYR 56 HD1 TYR 56 2.883 -0.066 -8.997 413 HD2 TYR 56 HD2 TYR 56 1.971 -2.708 -5.761 414 HE1 TYR 56 HE1 TYR 56 4.321 -1.794 -9.990 415 HE2 TYR 56 HE2 TYR 56 3.407 -4.427 -6.763 416 HH TYR 56 HH TYR 56 4.272 -5.006 -9.059 417 H VAL 57 H VAL 57 0.687 3.323 -6.799 418 HA VAL 57 HA VAL 57 -2.087 3.097 -5.819 419 HB VAL 57 HB VAL 57 -1.455 4.296 -3.732 420 HG11 VAL 57 1HG1 VAL 57 -1.614 1.859 -3.613 421 HG12 VAL 57 2HG1 VAL 57 -0.294 2.417 -2.588 422 HG13 VAL 57 3HG1 VAL 57 0.063 1.693 -4.153 423 HG21 VAL 57 3HG2 VAL 57 0.574 5.474 -4.499 424 HG22 VAL 57 1HG2 VAL 57 1.431 3.938 -4.663 425 HG23 VAL 57 2HG2 VAL 57 0.945 4.515 -3.066 426 H GLN 58 H GLN 58 -3.294 4.931 -5.969 427 HA GLN 58 HA GLN 58 -2.165 7.345 -7.178 428 HB2 GLN 58 1HB GLN 58 -4.476 6.140 -7.820 429 HB3 GLN 58 2HB GLN 58 -5.093 7.044 -6.450 430 HG2 GLN 58 1HG GLN 58 -3.842 8.185 -8.968 431 HG3 GLN 58 2HG GLN 58 -5.551 8.210 -8.543 432 HE21 GLN 58 2HE2 GLN 58 -6.242 9.606 -6.813 433 HE22 GLN 58 1HE2 GLN 58 -5.285 10.972 -6.360 434 H LEU 59 H LEU 59 -1.701 9.079 -5.948 435 HA LEU 59 HA LEU 59 -1.678 8.951 -3.106 436 HB2 LEU 59 1HB LEU 59 -1.190 11.393 -4.865 437 HB3 LEU 59 2HB LEU 59 -0.649 11.162 -3.204 438 HG LEU 59 HG LEU 59 0.350 9.609 -5.635 439 HD11 LEU 59 1HD1 LEU 59 1.778 11.724 -3.986 440 HD12 LEU 59 2HD1 LEU 59 1.173 11.911 -5.633 441 HD13 LEU 59 3HD1 LEU 59 2.483 10.781 -5.304 442 HD21 LEU 59 3HD2 LEU 59 1.264 9.393 -2.740 443 HD22 LEU 59 1HD2 LEU 59 2.007 8.587 -4.127 444 HD23 LEU 59 2HD2 LEU 59 0.366 8.173 -3.647 445 H LEU 60 H LEU 60 -3.291 9.532 -1.716 446 HA LEU 60 HA LEU 60 -5.697 10.848 -2.689 447 HB2 LEU 60 1HB LEU 60 -4.997 9.742 0.055 448 HB3 LEU 60 2HB LEU 60 -6.547 10.467 -0.353 449 HG LEU 60 HG LEU 60 -5.394 7.894 -1.508 450 HD11 LEU 60 1HD1 LEU 60 -7.814 8.362 0.264 451 HD12 LEU 60 2HD1 LEU 60 -6.287 7.622 0.748 452 HD13 LEU 60 3HD1 LEU 60 -7.317 6.811 -0.426 453 HD21 LEU 60 3HD2 LEU 60 -6.587 9.071 -3.280 454 HD22 LEU 60 1HD2 LEU 60 -7.996 9.290 -2.234 455 HD23 LEU 60 2HD2 LEU 60 -7.517 7.671 -2.757 Start of MODEL 3 1 H1 MET 1 1H MET 1 3.195 6.574 9.065 2 H2 MET 1 2H MET 1 2.691 8.137 9.456 3 H3 MET 1 3H MET 1 2.164 7.412 8.025 4 HA MET 1 HA MET 1 0.921 5.781 9.211 5 HB2 MET 1 1HB MET 1 2.035 7.196 11.665 6 HB3 MET 1 2HB MET 1 0.715 6.040 11.735 7 HG2 MET 1 1HG MET 1 2.181 4.250 11.007 8 HG3 MET 1 2HG MET 1 3.502 5.391 10.744 9 HE1 MET 1 3HE MET 1 1.113 3.838 13.564 10 HE2 MET 1 1HE MET 1 0.984 5.586 13.812 11 HE3 MET 1 2HE MET 1 1.815 4.580 14.996 12 H SER 2 H SER 2 1.203 9.044 10.655 13 HA SER 2 HA SER 2 -1.577 9.491 10.944 14 HB2 SER 2 1HB SER 2 0.123 10.577 12.373 15 HB3 SER 2 2HB SER 2 0.745 11.468 10.987 16 HG SER 2 HG SER 2 -1.355 12.027 12.597 17 H GLY 3 H GLY 3 -2.634 9.231 8.967 18 HA2 GLY 3 1HA GLY 3 -3.867 10.292 7.314 19 HA3 GLY 3 2HA GLY 3 -2.747 11.644 7.333 20 H ALA 4 H ALA 4 -0.356 10.095 6.875 21 HA ALA 4 HA ALA 4 -0.215 10.147 4.095 22 HB1 ALA 4 3HB ALA 4 1.632 8.691 6.016 23 HB2 ALA 4 1HB ALA 4 1.748 10.388 5.540 24 HB3 ALA 4 2HB ALA 4 1.997 9.121 4.339 25 H ARG 5 H ARG 5 -1.446 8.866 2.844 26 HA ARG 5 HA ARG 5 -1.262 5.946 3.039 27 HB2 ARG 5 1HB ARG 5 -3.935 7.422 2.890 28 HB3 ARG 5 2HB ARG 5 -3.724 5.679 2.708 29 HG2 ARG 5 1HG ARG 5 -2.924 5.535 5.044 30 HG3 ARG 5 2HG ARG 5 -3.137 7.281 5.216 31 HD2 ARG 5 1HD ARG 5 -5.586 6.947 4.666 32 HD3 ARG 5 2HD ARG 5 -5.299 5.206 4.750 33 HE ARG 5 HE ARG 5 -4.551 5.617 7.111 34 HH11 ARG 5 1HH1 ARG 5 -6.861 7.816 5.620 35 HH12 ARG 5 2HH1 ARG 5 -7.549 8.312 7.133 36 HH21 ARG 5 1HH2 ARG 5 -5.420 6.294 9.076 37 HH22 ARG 5 2HH2 ARG 5 -6.719 7.445 9.111 38 H CYS 6 H CYS 6 -2.292 4.910 1.183 39 HA CYS 6 HA CYS 6 -2.503 6.472 -1.309 40 HB2 CYS 6 1HB CYS 6 -1.078 3.779 -0.988 41 HB3 CYS 6 2HB CYS 6 -1.348 4.633 -2.509 42 HG CYS 6 HG CYS 6 0.194 6.671 -0.497 43 H ARG 7 H ARG 7 -3.645 5.038 -2.985 44 HA ARG 7 HA ARG 7 -5.554 3.123 -1.774 45 HB2 ARG 7 1HB ARG 7 -6.731 5.216 -2.425 46 HB3 ARG 7 2HB ARG 7 -6.099 5.079 -4.064 47 HG2 ARG 7 1HG ARG 7 -7.328 2.846 -4.216 48 HG3 ARG 7 2HG ARG 7 -8.116 3.265 -2.690 49 HD2 ARG 7 1HD ARG 7 -8.254 4.863 -5.274 50 HD3 ARG 7 2HD ARG 7 -9.518 3.796 -4.658 51 HE ARG 7 HE ARG 7 -9.066 5.644 -2.653 52 HH11 ARG 7 1HH1 ARG 7 -10.041 5.852 -6.032 53 HH12 ARG 7 2HH1 ARG 7 -11.073 7.218 -5.763 54 HH21 ARG 7 1HH2 ARG 7 -10.420 7.425 -2.338 55 HH22 ARG 7 2HH2 ARG 7 -11.277 8.123 -3.673 56 H THR 8 H THR 8 -5.781 1.245 -2.896 57 HA THR 8 HA THR 8 -3.806 0.556 -4.890 58 HB THR 8 HB THR 8 -4.801 -1.739 -4.647 59 HG1 THR 8 HG1 THR 8 -6.393 -1.883 -2.870 60 HG21 THR 8 3HG2 THR 8 -4.142 -2.102 -2.287 61 HG22 THR 8 1HG2 THR 8 -4.203 -0.363 -1.990 62 HG23 THR 8 2HG2 THR 8 -2.994 -1.030 -3.094 63 H LEU 9 H LEU 9 -4.173 0.202 -7.026 64 HA LEU 9 HA LEU 9 -6.509 1.334 -8.271 65 HB2 LEU 9 1HB LEU 9 -4.188 -0.200 -9.511 66 HB3 LEU 9 2HB LEU 9 -5.351 0.794 -10.385 67 HG LEU 9 HG LEU 9 -3.316 1.821 -8.353 68 HD11 LEU 9 1HD1 LEU 9 -3.327 2.077 -11.378 69 HD12 LEU 9 2HD1 LEU 9 -2.219 1.103 -10.405 70 HD13 LEU 9 3HD1 LEU 9 -2.191 2.859 -10.272 71 HD21 LEU 9 3HD2 LEU 9 -5.294 3.359 -10.068 72 HD22 LEU 9 1HD2 LEU 9 -4.018 4.074 -9.075 73 HD23 LEU 9 2HD2 LEU 9 -5.330 3.184 -8.311 74 H TYR 10 H TYR 10 -4.965 -1.861 -8.648 75 HA TYR 10 HA TYR 10 -7.543 -3.279 -8.635 76 HB2 TYR 10 1HB TYR 10 -5.501 -3.415 -10.930 77 HB3 TYR 10 2HB TYR 10 -6.839 -4.542 -10.738 78 HD1 TYR 10 HD2 TYR 10 -9.233 -3.522 -10.650 79 HD2 TYR 10 HD1 TYR 10 -5.850 -1.407 -12.193 80 HE1 TYR 10 HE2 TYR 10 -10.733 -1.979 -11.812 81 HE2 TYR 10 HE1 TYR 10 -7.366 0.147 -13.354 82 HH TYR 10 HH TYR 10 -10.590 0.464 -12.663 83 HA PRO 11 HA PRO 11 -5.088 -6.230 -6.302 84 HB2 PRO 11 1HB PRO 11 -6.112 -8.683 -7.011 85 HB3 PRO 11 2HB PRO 11 -6.983 -7.542 -5.976 86 HG2 PRO 11 1HG PRO 11 -7.275 -8.016 -8.943 87 HG3 PRO 11 2HG PRO 11 -8.546 -7.856 -7.714 88 HD2 PRO 11 1HD PRO 11 -7.877 -5.786 -9.314 89 HD3 PRO 11 2HD PRO 11 -8.348 -5.522 -7.618 90 H PHE 12 H PHE 12 -3.100 -5.723 -7.342 91 HA PHE 12 HA PHE 12 -2.235 -7.250 -9.688 92 HB2 PHE 12 1HB PHE 12 -0.771 -5.087 -8.102 93 HB3 PHE 12 2HB PHE 12 -0.190 -5.822 -9.588 94 HD1 PHE 12 HD1 PHE 12 -2.279 -5.729 -11.505 95 HD2 PHE 12 HD2 PHE 12 -1.436 -2.870 -8.429 96 HE1 PHE 12 HE1 PHE 12 -3.341 -3.958 -12.847 97 HE2 PHE 12 HE2 PHE 12 -2.512 -1.116 -9.773 98 HZ PHE 12 HZ PHE 12 -3.460 -1.654 -11.980 99 H SER 13 H SER 13 -0.575 -8.664 -9.692 100 HA SER 13 HA SER 13 1.154 -9.135 -7.417 101 HB2 SER 13 1HB SER 13 0.668 -11.628 -7.439 102 HB3 SER 13 2HB SER 13 -0.664 -10.652 -6.819 103 HG SER 13 HG SER 13 -1.823 -11.057 -8.602 104 H GLY 14 H GLY 14 2.967 -10.621 -8.077 105 HA2 GLY 14 1HA GLY 14 3.992 -9.934 -10.649 106 HA3 GLY 14 2HA GLY 14 4.711 -11.055 -9.501 107 H GLU 15 H GLU 15 4.085 -13.234 -9.517 108 HA GLU 15 HA GLU 15 2.324 -14.279 -11.623 109 HB2 GLU 15 1HB GLU 15 5.262 -15.081 -11.307 110 HB3 GLU 15 2HB GLU 15 4.086 -16.057 -12.187 111 HG2 GLU 15 1HG GLU 15 3.818 -14.408 -13.882 112 HG3 GLU 15 2HG GLU 15 4.663 -13.179 -12.938 113 H ARG 16 H ARG 16 1.786 -16.613 -11.192 114 HA ARG 16 HA ARG 16 1.229 -16.983 -8.392 115 HB2 ARG 16 1HB ARG 16 -0.428 -17.609 -10.120 116 HB3 ARG 16 2HB ARG 16 0.668 -18.829 -10.756 117 HG2 ARG 16 1HG ARG 16 -1.097 -19.843 -9.367 118 HG3 ARG 16 2HG ARG 16 0.503 -20.112 -8.671 119 HD2 ARG 16 1HD ARG 16 0.074 -18.179 -7.107 120 HD3 ARG 16 2HD ARG 16 -1.567 -18.079 -7.761 121 HE ARG 16 HE ARG 16 -0.754 -20.663 -6.682 122 HH11 ARG 16 1HH1 ARG 16 -2.506 -17.675 -6.083 123 HH12 ARG 16 2HH1 ARG 16 -3.329 -18.301 -4.697 124 HH21 ARG 16 1HH2 ARG 16 -1.838 -21.473 -4.878 125 HH22 ARG 16 2HH2 ARG 16 -2.954 -20.466 -4.010 126 H HIS 17 H HIS 17 3.390 -17.071 -7.613 127 HA HIS 17 HA HIS 17 4.133 -19.486 -6.575 128 HB2 HIS 17 1HB HIS 17 5.034 -19.808 -9.053 129 HB3 HIS 17 2HB HIS 17 6.336 -18.738 -8.565 130 HD2 HIS 17 HD2 HIS 17 7.425 -19.884 -5.878 131 HE1 HIS 17 HE1 HIS 17 7.164 -23.715 -7.640 132 HE2 HIS 17 HE2 HIS 17 8.318 -22.315 -5.868 133 H GLY 18 H GLY 18 5.497 -16.491 -7.926 134 HA2 GLY 18 1HA GLY 18 7.439 -15.982 -5.931 135 HA3 GLY 18 2HA GLY 18 6.822 -14.829 -7.101 136 H GLN 19 H GLN 19 7.518 -14.415 -4.316 137 HA GLN 19 HA GLN 19 5.088 -14.189 -2.758 138 HB2 GLN 19 1HB GLN 19 7.953 -13.335 -2.161 139 HB3 GLN 19 2HB GLN 19 6.626 -13.271 -1.001 140 HG2 GLN 19 1HG GLN 19 6.400 -15.713 -1.091 141 HG3 GLN 19 2HG GLN 19 7.675 -15.811 -2.305 142 HE21 GLN 19 2HE2 GLN 19 7.485 -16.998 0.388 143 HE22 GLN 19 1HE2 GLN 19 8.881 -16.460 1.252 144 H GLY 20 H GLY 20 4.538 -12.188 -1.630 145 HA2 GLY 20 1HA GLY 20 5.234 -9.597 -2.114 146 HA3 GLY 20 2HA GLY 20 4.129 -9.988 -3.435 147 H LEU 21 H LEU 21 3.531 -8.018 -1.506 148 HA LEU 21 HA LEU 21 1.613 -9.210 0.365 149 HB2 LEU 21 1HB LEU 21 3.054 -7.354 1.165 150 HB3 LEU 21 2HB LEU 21 2.380 -6.287 -0.057 151 HG LEU 21 HG LEU 21 0.171 -6.356 1.037 152 HD11 LEU 21 1HD1 LEU 21 0.190 -8.650 1.883 153 HD12 LEU 21 2HD1 LEU 21 -0.175 -7.515 3.179 154 HD13 LEU 21 3HD1 LEU 21 1.436 -8.227 3.065 155 HD21 LEU 21 3HD2 LEU 21 1.774 -4.658 1.815 156 HD22 LEU 21 1HD2 LEU 21 2.386 -5.774 3.037 157 HD23 LEU 21 2HD2 LEU 21 0.725 -5.180 3.131 158 H ARG 22 H ARG 22 -0.381 -9.599 -0.292 159 HA ARG 22 HA ARG 22 -1.401 -8.535 -2.802 160 HB2 ARG 22 1HB ARG 22 -3.211 -10.191 -2.628 161 HB3 ARG 22 2HB ARG 22 -1.640 -10.957 -2.454 162 HG2 ARG 22 1HG ARG 22 -3.334 -10.243 -0.041 163 HG3 ARG 22 2HG ARG 22 -3.578 -11.749 -0.931 164 HD2 ARG 22 1HD ARG 22 -0.998 -10.886 0.440 165 HD3 ARG 22 2HD ARG 22 -2.149 -12.083 1.051 166 HE ARG 22 HE ARG 22 -0.694 -12.431 -1.513 167 HH11 ARG 22 1HH1 ARG 22 -1.727 -13.766 1.575 168 HH12 ARG 22 2HH1 ARG 22 -1.033 -15.325 1.270 169 HH21 ARG 22 1HH2 ARG 22 0.183 -14.478 -1.914 170 HH22 ARG 22 2HH2 ARG 22 0.042 -15.730 -0.720 171 H PHE 23 H PHE 23 -3.575 -7.751 -3.010 172 HA PHE 23 HA PHE 23 -4.848 -6.402 -0.800 173 HB2 PHE 23 1HB PHE 23 -4.462 -4.091 -1.868 174 HB3 PHE 23 2HB PHE 23 -3.090 -4.804 -1.031 175 HD1 PHE 23 HD2 PHE 23 -4.477 -4.024 -4.399 176 HD2 PHE 23 HD1 PHE 23 -1.047 -5.331 -2.209 177 HE1 PHE 23 HE2 PHE 23 -3.071 -3.709 -6.386 178 HE2 PHE 23 HE1 PHE 23 0.341 -5.018 -4.209 179 HZ PHE 23 HZ PHE 23 -0.673 -4.210 -6.295 180 H ALA 24 H ALA 24 -6.867 -5.560 -1.349 181 HA ALA 24 HA ALA 24 -8.047 -6.479 -3.885 182 HB1 ALA 24 3HB ALA 24 -10.213 -6.035 -2.786 183 HB2 ALA 24 1HB ALA 24 -9.378 -5.366 -1.373 184 HB3 ALA 24 2HB ALA 24 -9.203 -7.076 -1.782 185 H ALA 25 H ALA 25 -9.194 -5.048 -5.257 186 HA ALA 25 HA ALA 25 -8.004 -2.543 -5.758 187 HB1 ALA 25 3HB ALA 25 -9.066 -3.850 -7.546 188 HB2 ALA 25 1HB ALA 25 -9.767 -2.235 -7.467 189 HB3 ALA 25 2HB ALA 25 -10.650 -3.616 -6.809 190 H GLY 26 H GLY 26 -8.212 -0.757 -4.508 191 HA2 GLY 26 1HA GLY 26 -9.638 1.187 -4.187 192 HA3 GLY 26 2HA GLY 26 -10.941 0.120 -3.686 193 H GLU 27 H GLU 27 -8.493 -1.327 -2.141 194 HA GLU 27 HA GLU 27 -9.140 -0.117 0.384 195 HB2 GLU 27 1HB GLU 27 -7.643 -1.711 1.428 196 HB3 GLU 27 2HB GLU 27 -8.574 -2.553 0.197 197 HG2 GLU 27 1HG GLU 27 -6.698 -2.662 -1.278 198 HG3 GLU 27 2HG GLU 27 -5.762 -1.537 -0.295 199 H LEU 28 H LEU 28 -7.460 0.586 1.929 200 HA LEU 28 HA LEU 28 -5.766 2.641 0.681 201 HB2 LEU 28 1HB LEU 28 -6.836 2.401 3.529 202 HB3 LEU 28 2HB LEU 28 -5.750 3.668 2.977 203 HG LEU 28 HG LEU 28 -7.570 4.338 1.302 204 HD11 LEU 28 1HD1 LEU 28 -9.327 2.563 3.012 205 HD12 LEU 28 2HD1 LEU 28 -8.945 2.329 1.302 206 HD13 LEU 28 3HD1 LEU 28 -9.889 3.729 1.809 207 HD21 LEU 28 3HD2 LEU 28 -8.821 5.638 2.949 208 HD22 LEU 28 1HD2 LEU 28 -7.091 5.641 3.291 209 HD23 LEU 28 2HD2 LEU 28 -8.179 4.632 4.250 210 H ILE 29 H ILE 29 -3.605 2.316 0.652 211 HA ILE 29 HA ILE 29 -2.301 0.463 2.534 212 HB ILE 29 HB ILE 29 -1.146 2.064 0.186 213 HG12 ILE 29 1HG1 ILE 29 -2.608 0.255 -0.602 214 HG13 ILE 29 2HG1 ILE 29 -0.933 -0.148 -0.951 215 HG21 ILE 29 1HG2 ILE 29 0.261 0.011 1.948 216 HG22 ILE 29 2HG2 ILE 29 0.583 1.747 1.899 217 HG23 ILE 29 3HG2 ILE 29 0.934 0.748 0.489 218 HD11 ILE 29 3HD1 ILE 29 -2.175 -2.085 -0.207 219 HD12 ILE 29 1HD1 ILE 29 -2.602 -1.275 1.300 220 HD13 ILE 29 2HD1 ILE 29 -0.917 -1.689 0.961 221 H THR 30 H THR 30 -1.963 1.373 4.505 222 HA THR 30 HA THR 30 -1.605 4.213 4.882 223 HB THR 30 HB THR 30 -1.352 1.952 6.924 224 HG1 THR 30 HG1 THR 30 -3.445 1.963 6.226 225 HG21 THR 30 3HG2 THR 30 -0.232 4.039 7.682 226 HG22 THR 30 1HG2 THR 30 -1.699 3.748 8.615 227 HG23 THR 30 2HG2 THR 30 -1.694 4.965 7.334 228 H LEU 31 H LEU 31 0.255 5.070 4.236 229 HA LEU 31 HA LEU 31 2.783 3.763 4.153 230 HB2 LEU 31 1HB LEU 31 2.271 6.769 4.108 231 HB3 LEU 31 2HB LEU 31 3.683 5.918 3.480 232 HG LEU 31 HG LEU 31 0.856 5.799 2.320 233 HD11 LEU 31 1HD1 LEU 31 3.363 7.123 1.235 234 HD12 LEU 31 2HD1 LEU 31 1.960 7.948 1.930 235 HD13 LEU 31 3HD1 LEU 31 1.791 7.037 0.431 236 HD21 LEU 31 3HD2 LEU 31 3.395 4.461 1.303 237 HD22 LEU 31 1HD2 LEU 31 1.840 4.496 0.465 238 HD23 LEU 31 2HD2 LEU 31 1.994 3.642 1.996 239 H LEU 32 H LEU 32 4.002 3.305 5.878 240 HA LEU 32 HA LEU 32 3.313 4.200 8.528 241 HB2 LEU 32 1HB LEU 32 5.721 2.577 7.623 242 HB3 LEU 32 2HB LEU 32 5.095 2.686 9.263 243 HG LEU 32 HG LEU 32 3.594 1.432 6.920 244 HD11 LEU 32 1HD1 LEU 32 5.095 0.047 9.161 245 HD12 LEU 32 2HD1 LEU 32 5.586 0.127 7.463 246 HD13 LEU 32 3HD1 LEU 32 4.115 -0.730 7.912 247 HD21 LEU 32 3HD2 LEU 32 2.069 2.296 8.626 248 HD22 LEU 32 1HD2 LEU 32 2.950 1.434 9.892 249 HD23 LEU 32 2HD2 LEU 32 2.074 0.535 8.648 250 H GLN 33 H GLN 33 6.177 4.525 6.450 251 HA GLN 33 HA GLN 33 6.892 7.111 7.604 252 HB2 GLN 33 1HB GLN 33 8.059 5.356 8.990 253 HB3 GLN 33 2HB GLN 33 8.836 4.746 7.535 254 HG2 GLN 33 1HG GLN 33 10.065 6.863 7.282 255 HG3 GLN 33 2HG GLN 33 9.234 7.526 8.688 256 HE21 GLN 33 2HE2 GLN 33 12.137 7.109 8.232 257 HE22 GLN 33 1HE2 GLN 33 12.670 6.131 9.558 258 H VAL 34 H VAL 34 8.622 8.147 6.250 259 HA VAL 34 HA VAL 34 8.554 7.320 3.408 260 HB VAL 34 HB VAL 34 9.433 9.690 2.977 261 HG11 VAL 34 1HG1 VAL 34 7.232 10.801 3.329 262 HG12 VAL 34 2HG1 VAL 34 6.752 9.488 4.407 263 HG13 VAL 34 3HG1 VAL 34 7.039 9.163 2.698 264 HG21 VAL 34 3HG2 VAL 34 9.171 11.410 4.764 265 HG22 VAL 34 1HG2 VAL 34 10.374 10.201 5.227 266 HG23 VAL 34 2HG2 VAL 34 8.754 10.143 5.921 267 HA PRO 35 HA PRO 35 12.781 5.980 4.881 268 HB2 PRO 35 1HB PRO 35 12.587 3.742 2.960 269 HB3 PRO 35 2HB PRO 35 12.683 3.682 4.720 270 HG2 PRO 35 1HG PRO 35 10.420 3.003 3.368 271 HG3 PRO 35 2HG PRO 35 10.375 3.730 4.993 272 HD2 PRO 35 1HD PRO 35 10.008 5.080 2.300 273 HD3 PRO 35 2HD PRO 35 9.026 5.234 3.773 274 H ASP 36 H ASP 36 11.613 6.044 1.549 275 HA ASP 36 HA ASP 36 14.230 6.985 0.542 276 HB2 ASP 36 1HB ASP 36 13.520 4.947 -0.595 277 HB3 ASP 36 2HB ASP 36 11.897 5.587 -0.843 278 H GLY 37 H GLY 37 10.768 7.354 -0.315 279 HA2 GLY 37 1HA GLY 37 9.922 9.767 0.137 280 HA3 GLY 37 2HA GLY 37 11.192 10.211 -1.005 281 H GLY 38 H GLY 38 10.964 7.946 -2.702 282 HA2 GLY 38 1HA GLY 38 8.356 8.363 -4.050 283 HA3 GLY 38 2HA GLY 38 9.802 7.644 -4.764 284 H TRP 39 H TRP 39 10.549 5.783 -2.949 285 HA TRP 39 HA TRP 39 8.427 3.779 -2.870 286 HB2 TRP 39 1HB TRP 39 11.295 3.687 -1.818 287 HB3 TRP 39 2HB TRP 39 10.188 2.323 -1.850 288 HD1 TRP 39 HD1 TRP 39 12.293 4.512 -4.229 289 HE1 TRP 39 HE1 TRP 39 12.660 3.218 -6.409 290 HE3 TRP 39 HE3 TRP 39 9.243 0.497 -3.322 291 HZ2 TRP 39 HZ2 TRP 39 11.773 0.840 -7.610 292 HZ3 TRP 39 HZ3 TRP 39 9.066 -1.239 -5.054 293 HH2 TRP 39 HH2 TRP 39 10.306 -1.078 -7.153 294 H TRP 40 H TRP 40 7.287 3.268 -1.055 295 HA TRP 40 HA TRP 40 8.109 4.328 1.584 296 HB2 TRP 40 1HB TRP 40 5.257 4.118 0.510 297 HB3 TRP 40 2HB TRP 40 5.693 4.604 2.148 298 HD1 TRP 40 HD1 TRP 40 7.230 6.964 2.266 299 HE1 TRP 40 HE1 TRP 40 6.975 9.091 0.848 300 HE3 TRP 40 HE3 TRP 40 4.573 5.021 -1.638 301 HZ2 TRP 40 HZ2 TRP 40 5.811 9.851 -1.596 302 HZ3 TRP 40 HZ3 TRP 40 3.929 6.517 -3.476 303 HH2 TRP 40 HH2 TRP 40 4.534 8.885 -3.460 304 H GLU 41 H GLU 41 6.742 3.141 3.305 305 HA GLU 41 HA GLU 41 6.606 0.230 2.741 306 HB2 GLU 41 1HB GLU 41 7.226 -0.109 5.125 307 HB3 GLU 41 2HB GLU 41 8.484 0.755 4.247 308 HG2 GLU 41 1HG GLU 41 7.715 2.883 5.213 309 HG3 GLU 41 2HG GLU 41 6.439 2.035 6.079 310 H GLY 42 H GLY 42 4.858 -0.864 3.738 311 HA2 GLY 42 1HA GLY 42 2.739 0.620 5.108 312 HA3 GLY 42 2HA GLY 42 2.351 -0.025 3.515 313 H GLU 43 H GLU 43 1.917 -0.665 6.631 314 HA GLU 43 HA GLU 43 2.417 -3.574 6.505 315 HB2 GLU 43 1HB GLU 43 3.276 -2.335 8.501 316 HB3 GLU 43 2HB GLU 43 1.631 -1.844 8.904 317 HG2 GLU 43 1HG GLU 43 1.016 -4.245 9.204 318 HG3 GLU 43 2HG GLU 43 2.673 -4.700 8.820 319 H LYS 44 H LYS 44 0.775 -4.829 6.007 320 HA LYS 44 HA LYS 44 -1.962 -3.967 5.869 321 HB2 LYS 44 1HB LYS 44 -0.800 -5.585 4.266 322 HB3 LYS 44 2HB LYS 44 -0.838 -6.793 5.534 323 HG2 LYS 44 1HG LYS 44 -2.614 -7.081 3.821 324 HG3 LYS 44 2HG LYS 44 -3.266 -6.879 5.454 325 HD2 LYS 44 1HD LYS 44 -3.848 -4.561 4.993 326 HD3 LYS 44 2HD LYS 44 -3.041 -4.618 3.419 327 HE2 LYS 44 1HE LYS 44 -5.401 -6.401 4.112 328 HE3 LYS 44 2HE LYS 44 -5.592 -4.795 3.405 329 HZ1 LYS 44 3HZ LYS 44 -4.089 -7.052 2.170 330 HZ2 LYS 44 1HZ LYS 44 -4.274 -5.507 1.504 331 HZ3 LYS 44 2HZ LYS 44 -5.623 -6.505 1.707 332 H GLU 45 H GLU 45 -3.664 -5.409 6.843 333 HA GLU 45 HA GLU 45 -3.869 -5.023 9.553 334 HB2 GLU 45 1HB GLU 45 -5.345 -7.102 7.886 335 HB3 GLU 45 2HB GLU 45 -5.901 -6.407 9.412 336 HG2 GLU 45 1HG GLU 45 -6.224 -4.251 8.406 337 HG3 GLU 45 2HG GLU 45 -5.403 -4.744 6.922 338 H ASP 46 H ASP 46 -2.683 -7.927 7.887 339 HA ASP 46 HA ASP 46 -2.817 -9.654 10.199 340 HB2 ASP 46 1HB ASP 46 -3.076 -10.373 7.761 341 HB3 ASP 46 2HB ASP 46 -1.337 -10.184 7.587 342 H GLY 47 H GLY 47 -0.550 -7.339 9.074 343 HA2 GLY 47 1HA GLY 47 1.229 -6.666 10.591 344 HA3 GLY 47 2HA GLY 47 1.518 -8.359 10.963 345 H LEU 48 H LEU 48 1.056 -8.527 7.754 346 HA LEU 48 HA LEU 48 3.832 -8.695 7.102 347 HB2 LEU 48 1HB LEU 48 1.347 -8.809 5.350 348 HB3 LEU 48 2HB LEU 48 2.950 -8.830 4.650 349 HG LEU 48 HG LEU 48 2.193 -11.086 4.716 350 HD11 LEU 48 1HD1 LEU 48 4.549 -10.800 5.271 351 HD12 LEU 48 2HD1 LEU 48 3.869 -12.215 6.070 352 HD13 LEU 48 3HD1 LEU 48 4.156 -10.737 6.994 353 HD21 LEU 48 3HD2 LEU 48 1.451 -12.235 6.749 354 HD22 LEU 48 1HD2 LEU 48 0.404 -10.878 6.338 355 HD23 LEU 48 2HD2 LEU 48 1.569 -10.722 7.656 356 H ARG 49 H ARG 49 5.187 -7.175 6.434 357 HA ARG 49 HA ARG 49 4.188 -4.459 5.814 358 HB2 ARG 49 1HB ARG 49 6.969 -5.328 6.749 359 HB3 ARG 49 2HB ARG 49 6.374 -3.669 6.606 360 HG2 ARG 49 1HG ARG 49 4.783 -4.041 8.422 361 HG3 ARG 49 2HG ARG 49 5.227 -5.748 8.505 362 HD2 ARG 49 1HD ARG 49 6.271 -4.551 10.327 363 HD3 ARG 49 2HD ARG 49 7.519 -5.085 9.203 364 HE ARG 49 HE ARG 49 7.733 -2.827 8.416 365 HH11 ARG 49 1HH1 ARG 49 5.636 -3.061 11.232 366 HH12 ARG 49 2HH1 ARG 49 5.969 -1.445 11.765 367 HH21 ARG 49 1HH2 ARG 49 8.120 -0.686 9.103 368 HH22 ARG 49 2HH2 ARG 49 7.372 -0.108 10.554 369 H GLY 50 H GLY 50 4.556 -3.673 3.793 370 HA2 GLY 50 1HA GLY 50 6.435 -5.059 1.965 371 HA3 GLY 50 2HA GLY 50 4.756 -4.797 1.495 372 H TRP 51 H TRP 51 7.163 -3.817 0.216 373 HA TRP 51 HA TRP 51 7.190 -0.940 0.596 374 HB2 TRP 51 1HB TRP 51 8.623 -1.035 -1.584 375 HB3 TRP 51 2HB TRP 51 9.299 -1.744 -0.124 376 HD1 TRP 51 HD1 TRP 51 9.895 -4.310 -0.178 377 HE1 TRP 51 HE1 TRP 51 9.865 -6.118 -1.997 378 HE3 TRP 51 HE3 TRP 51 7.210 -1.833 -3.788 379 HZ2 TRP 51 HZ2 TRP 51 8.843 -6.475 -4.598 380 HZ3 TRP 51 HZ3 TRP 51 6.746 -2.989 -5.914 381 HH2 TRP 51 HH2 TRP 51 7.550 -5.268 -6.307 382 H PHE 52 H PHE 52 6.144 0.557 -0.617 383 HA PHE 52 HA PHE 52 4.587 -0.197 -2.986 384 HB2 PHE 52 1HB PHE 52 3.435 1.195 -0.520 385 HB3 PHE 52 2HB PHE 52 2.645 1.238 -2.091 386 HD1 PHE 52 HD1 PHE 52 1.633 -0.814 -3.053 387 HD2 PHE 52 HD2 PHE 52 3.393 -0.840 0.850 388 HE1 PHE 52 HE1 PHE 52 0.519 -2.950 -2.557 389 HE2 PHE 52 HE2 PHE 52 2.276 -2.971 1.334 390 HZ PHE 52 HZ PHE 52 0.841 -4.030 -0.365 391 HA PRO 53 HA PRO 53 6.584 3.840 -3.969 392 HB2 PRO 53 1HB PRO 53 6.957 3.402 -6.613 393 HB3 PRO 53 2HB PRO 53 8.005 2.648 -5.400 394 HG2 PRO 53 1HG PRO 53 5.650 1.463 -6.871 395 HG3 PRO 53 2HG PRO 53 7.250 0.749 -6.577 396 HD2 PRO 53 1HD PRO 53 5.033 0.176 -5.038 397 HD3 PRO 53 2HD PRO 53 6.697 0.083 -4.419 398 H ALA 54 H ALA 54 5.888 5.600 -5.348 399 HA ALA 54 HA ALA 54 3.098 6.062 -5.477 400 HB1 ALA 54 3HB ALA 54 5.333 7.584 -6.876 401 HB2 ALA 54 1HB ALA 54 4.741 7.887 -5.242 402 HB3 ALA 54 2HB ALA 54 3.685 8.169 -6.627 403 H SER 55 H SER 55 5.395 4.804 -7.767 404 HA SER 55 HA SER 55 3.803 5.051 -10.146 405 HB2 SER 55 1HB SER 55 5.637 3.565 -11.103 406 HB3 SER 55 2HB SER 55 6.215 5.042 -10.332 407 HG SER 55 HG SER 55 7.280 3.867 -8.971 408 H TYR 56 H TYR 56 3.050 3.225 -7.570 409 HA TYR 56 HA TYR 56 2.052 0.928 -9.160 410 HB2 TYR 56 1HB TYR 56 4.002 0.647 -7.315 411 HB3 TYR 56 2HB TYR 56 2.647 0.628 -6.198 412 HD1 TYR 56 HD2 TYR 56 0.815 -1.187 -6.569 413 HD2 TYR 56 HD1 TYR 56 4.609 -1.289 -8.547 414 HE1 TYR 56 HE2 TYR 56 0.503 -3.575 -7.053 415 HE2 TYR 56 HE1 TYR 56 4.288 -3.678 -9.030 416 HH TYR 56 HH TYR 56 2.995 -5.594 -8.136 417 H VAL 57 H VAL 57 1.604 3.019 -6.322 418 HA VAL 57 HA VAL 57 -1.340 2.689 -6.455 419 HB VAL 57 HB VAL 57 -1.343 2.871 -3.897 420 HG11 VAL 57 1HG1 VAL 57 -0.067 0.369 -5.079 421 HG12 VAL 57 2HG1 VAL 57 -1.798 0.710 -4.978 422 HG13 VAL 57 3HG1 VAL 57 -0.863 0.461 -3.501 423 HG21 VAL 57 3HG2 VAL 57 0.723 2.213 -2.668 424 HG22 VAL 57 1HG2 VAL 57 0.954 3.723 -3.558 425 HG23 VAL 57 2HG2 VAL 57 1.625 2.215 -4.188 426 H GLN 58 H GLN 58 -2.530 4.606 -6.048 427 HA GLN 58 HA GLN 58 -1.007 7.088 -6.386 428 HB2 GLN 58 1HB GLN 58 -4.011 6.616 -6.534 429 HB3 GLN 58 2HB GLN 58 -3.202 8.147 -6.890 430 HG2 GLN 58 1HG GLN 58 -1.973 6.979 -8.747 431 HG3 GLN 58 2HG GLN 58 -2.938 5.545 -8.425 432 HE21 GLN 58 2HE2 GLN 58 -5.253 5.679 -8.813 433 HE22 GLN 58 1HE2 GLN 58 -5.870 6.799 -9.970 434 H LEU 59 H LEU 59 -0.801 8.636 -4.905 435 HA LEU 59 HA LEU 59 -1.313 8.261 -2.159 436 HB2 LEU 59 1HB LEU 59 -0.657 10.827 -3.665 437 HB3 LEU 59 2HB LEU 59 -0.608 10.660 -1.912 438 HG LEU 59 HG LEU 59 1.169 9.089 -3.839 439 HD11 LEU 59 1HD1 LEU 59 3.006 10.528 -3.085 440 HD12 LEU 59 2HD1 LEU 59 1.884 11.489 -2.117 441 HD13 LEU 59 3HD1 LEU 59 1.745 11.473 -3.878 442 HD21 LEU 59 3HD2 LEU 59 2.414 8.449 -1.803 443 HD22 LEU 59 1HD2 LEU 59 0.748 7.877 -1.755 444 HD23 LEU 59 2HD2 LEU 59 1.225 9.283 -0.805 445 H LEU 60 H LEU 60 -2.806 9.187 -0.734 446 HA LEU 60 HA LEU 60 -5.340 10.135 -1.892 447 HB2 LEU 60 1HB LEU 60 -4.613 9.113 0.882 448 HB3 LEU 60 2HB LEU 60 -6.213 9.704 0.444 449 HG LEU 60 HG LEU 60 -4.829 7.301 -0.823 450 HD11 LEU 60 1HD1 LEU 60 -5.491 6.843 1.485 451 HD12 LEU 60 2HD1 LEU 60 -6.456 5.921 0.340 452 HD13 LEU 60 3HD1 LEU 60 -7.145 7.345 1.127 453 HD21 LEU 60 3HD2 LEU 60 -6.293 8.356 -2.437 454 HD22 LEU 60 1HD2 LEU 60 -7.612 8.432 -1.264 455 HD23 LEU 60 2HD2 LEU 60 -7.051 6.875 -1.866 Start of MODEL 4 1 H1 MET 1 1H MET 1 -4.137 6.857 12.239 2 H2 MET 1 2H MET 1 -2.990 7.946 12.820 3 H3 MET 1 3H MET 1 -2.747 7.187 11.334 4 HA MET 1 HA MET 1 -4.652 8.294 10.400 5 HB2 MET 1 1HB MET 1 -5.855 10.042 11.611 6 HB3 MET 1 2HB MET 1 -5.918 8.560 12.552 7 HG2 MET 1 1HG MET 1 -4.240 9.415 14.090 8 HG3 MET 1 2HG MET 1 -4.013 10.852 13.089 9 HE1 MET 1 3HE MET 1 -5.735 12.496 16.149 10 HE2 MET 1 1HE MET 1 -4.423 12.606 14.977 11 HE3 MET 1 2HE MET 1 -4.471 11.267 16.127 12 H SER 2 H SER 2 -1.986 9.469 12.386 13 HA SER 2 HA SER 2 -1.754 11.994 10.902 14 HB2 SER 2 1HB SER 2 -1.794 12.052 13.405 15 HB3 SER 2 2HB SER 2 -0.319 11.088 13.447 16 HG SER 2 HG SER 2 -0.261 13.548 13.545 17 H GLY 3 H GLY 3 -0.947 11.023 8.968 18 HA2 GLY 3 1HA GLY 3 1.890 10.913 8.745 19 HA3 GLY 3 2HA GLY 3 1.195 9.296 8.649 20 H ALA 4 H ALA 4 0.872 8.643 6.618 21 HA ALA 4 HA ALA 4 -0.111 10.530 4.568 22 HB1 ALA 4 3HB ALA 4 1.477 9.601 2.913 23 HB2 ALA 4 1HB ALA 4 2.208 8.586 4.161 24 HB3 ALA 4 2HB ALA 4 2.336 10.344 4.260 25 H ARG 5 H ARG 5 -1.359 9.536 2.942 26 HA ARG 5 HA ARG 5 -2.177 6.728 3.371 27 HB2 ARG 5 1HB ARG 5 -3.834 9.179 3.560 28 HB3 ARG 5 2HB ARG 5 -4.507 8.017 2.429 29 HG2 ARG 5 1HG ARG 5 -3.753 7.298 5.283 30 HG3 ARG 5 2HG ARG 5 -5.359 7.871 4.811 31 HD2 ARG 5 1HD ARG 5 -5.593 5.936 3.281 32 HD3 ARG 5 2HD ARG 5 -3.975 5.385 3.728 33 HE ARG 5 HE ARG 5 -4.814 4.524 5.670 34 HH11 ARG 5 1HH1 ARG 5 -7.301 6.630 4.340 35 HH12 ARG 5 2HH1 ARG 5 -8.527 6.068 5.425 36 HH21 ARG 5 1HH2 ARG 5 -6.423 3.807 7.079 37 HH22 ARG 5 2HH2 ARG 5 -8.023 4.466 6.973 38 H CYS 6 H CYS 6 -2.987 5.658 1.604 39 HA CYS 6 HA CYS 6 -2.844 6.812 -1.087 40 HB2 CYS 6 1HB CYS 6 -1.404 4.240 -0.251 41 HB3 CYS 6 2HB CYS 6 -1.592 4.809 -1.915 42 HG CYS 6 HG CYS 6 -0.295 7.332 -0.575 43 H ARG 7 H ARG 7 -3.763 5.130 -2.658 44 HA ARG 7 HA ARG 7 -5.586 3.171 -1.473 45 HB2 ARG 7 1HB ARG 7 -6.885 5.323 -1.859 46 HB3 ARG 7 2HB ARG 7 -6.510 5.188 -3.578 47 HG2 ARG 7 1HG ARG 7 -7.733 3.041 -3.693 48 HG3 ARG 7 2HG ARG 7 -8.071 3.133 -1.962 49 HD2 ARG 7 1HD ARG 7 -9.319 5.287 -2.404 50 HD3 ARG 7 2HD ARG 7 -9.101 4.982 -4.137 51 HE ARG 7 HE ARG 7 -10.488 3.042 -2.370 52 HH11 ARG 7 1HH1 ARG 7 -10.488 4.972 -5.296 53 HH12 ARG 7 2HH1 ARG 7 -12.043 4.408 -5.814 54 HH21 ARG 7 1HH2 ARG 7 -12.524 2.287 -3.083 55 HH22 ARG 7 2HH2 ARG 7 -13.175 2.892 -4.575 56 H THR 8 H THR 8 -5.573 1.341 -2.626 57 HA THR 8 HA THR 8 -3.594 0.908 -4.613 58 HB THR 8 HB THR 8 -4.609 -1.441 -4.631 59 HG1 THR 8 HG1 THR 8 -6.119 -1.431 -2.561 60 HG21 THR 8 3HG2 THR 8 -3.949 -1.970 -2.303 61 HG22 THR 8 1HG2 THR 8 -3.981 -0.251 -1.898 62 HG23 THR 8 2HG2 THR 8 -2.793 -0.866 -3.051 63 H LEU 9 H LEU 9 -3.723 1.074 -6.765 64 HA LEU 9 HA LEU 9 -6.050 1.962 -8.153 65 HB2 LEU 9 1HB LEU 9 -3.450 0.806 -9.251 66 HB3 LEU 9 2HB LEU 9 -4.663 1.644 -10.210 67 HG LEU 9 HG LEU 9 -2.962 2.887 -8.003 68 HD11 LEU 9 1HD1 LEU 9 -1.857 4.136 -9.799 69 HD12 LEU 9 2HD1 LEU 9 -2.812 3.281 -11.013 70 HD13 LEU 9 3HD1 LEU 9 -1.651 2.400 -10.015 71 HD21 LEU 9 3HD2 LEU 9 -5.033 4.186 -9.806 72 HD22 LEU 9 1HD2 LEU 9 -3.938 5.038 -8.712 73 HD23 LEU 9 2HD2 LEU 9 -5.150 3.944 -8.060 74 H TYR 10 H TYR 10 -4.166 -1.051 -8.381 75 HA TYR 10 HA TYR 10 -6.574 -2.641 -8.937 76 HB2 TYR 10 1HB TYR 10 -4.131 -2.432 -10.773 77 HB3 TYR 10 2HB TYR 10 -5.221 -3.814 -10.824 78 HD1 TYR 10 HD2 TYR 10 -7.760 -3.309 -11.180 79 HD2 TYR 10 HD1 TYR 10 -4.656 -0.519 -12.115 80 HE1 TYR 10 HE2 TYR 10 -9.301 -2.092 -12.652 81 HE2 TYR 10 HE1 TYR 10 -6.207 0.705 -13.587 82 HH TYR 10 HH TYR 10 -9.551 0.218 -13.540 83 HA PRO 11 HA PRO 11 -4.568 -5.328 -6.096 84 HB2 PRO 11 1HB PRO 11 -5.893 -7.637 -6.388 85 HB3 PRO 11 2HB PRO 11 -6.758 -6.148 -5.961 86 HG2 PRO 11 1HG PRO 11 -6.495 -7.491 -8.656 87 HG3 PRO 11 2HG PRO 11 -7.945 -6.813 -7.886 88 HD2 PRO 11 1HD PRO 11 -6.397 -5.470 -9.766 89 HD3 PRO 11 2HD PRO 11 -7.448 -4.667 -8.580 90 H PHE 12 H PHE 12 -3.076 -5.184 -8.732 91 HA PHE 12 HA PHE 12 -1.991 -7.893 -9.065 92 HB2 PHE 12 1HB PHE 12 -1.345 -5.307 -10.570 93 HB3 PHE 12 2HB PHE 12 -0.722 -6.906 -10.970 94 HD1 PHE 12 HD1 PHE 12 -2.598 -8.773 -11.356 95 HD2 PHE 12 HD2 PHE 12 -3.247 -4.565 -11.734 96 HE1 PHE 12 HE1 PHE 12 -4.543 -9.197 -12.804 97 HE2 PHE 12 HE2 PHE 12 -5.186 -4.999 -13.175 98 HZ PHE 12 HZ PHE 12 -5.835 -7.310 -13.716 99 H SER 13 H SER 13 -0.730 -8.353 -7.382 100 HA SER 13 HA SER 13 1.697 -6.813 -6.868 101 HB2 SER 13 1HB SER 13 -0.245 -7.572 -4.636 102 HB3 SER 13 2HB SER 13 1.316 -6.778 -4.426 103 HG SER 13 HG SER 13 0.095 -5.207 -6.036 104 H GLY 14 H GLY 14 3.384 -8.184 -6.366 105 HA2 GLY 14 1HA GLY 14 4.529 -10.176 -6.046 106 HA3 GLY 14 2HA GLY 14 3.007 -10.990 -5.696 107 H GLU 15 H GLU 15 4.338 -9.194 -8.455 108 HA GLU 15 HA GLU 15 3.016 -10.566 -10.491 109 HB2 GLU 15 1HB GLU 15 4.009 -8.322 -10.802 110 HB3 GLU 15 2HB GLU 15 5.625 -8.992 -10.602 111 HG2 GLU 15 1HG GLU 15 5.188 -10.388 -12.696 112 HG3 GLU 15 2HG GLU 15 3.716 -9.447 -12.924 113 H ARG 16 H ARG 16 3.188 -12.742 -10.634 114 HA ARG 16 HA ARG 16 3.944 -14.799 -11.203 115 HB2 ARG 16 1HB ARG 16 6.305 -13.230 -12.321 116 HB3 ARG 16 2HB ARG 16 6.042 -14.950 -12.615 117 HG2 ARG 16 1HG ARG 16 3.912 -14.429 -13.753 118 HG3 ARG 16 2HG ARG 16 4.167 -12.708 -13.452 119 HD2 ARG 16 1HD ARG 16 4.772 -13.362 -15.765 120 HD3 ARG 16 2HD ARG 16 6.154 -12.717 -14.875 121 HE ARG 16 HE ARG 16 6.852 -15.072 -14.513 122 HH11 ARG 16 1HH1 ARG 16 4.750 -14.414 -17.246 123 HH12 ARG 16 2HH1 ARG 16 5.332 -15.766 -18.161 124 HH21 ARG 16 1HH2 ARG 16 7.594 -16.830 -15.703 125 HH22 ARG 16 2HH2 ARG 16 6.946 -17.137 -17.286 126 H HIS 17 H HIS 17 4.735 -13.540 -8.592 127 HA HIS 17 HA HIS 17 6.677 -15.462 -7.633 128 HB2 HIS 17 1HB HIS 17 8.207 -13.790 -8.548 129 HB3 HIS 17 2HB HIS 17 7.305 -12.474 -7.805 130 HD2 HIS 17 HD2 HIS 17 8.089 -11.798 -5.265 131 HE1 HIS 17 HE1 HIS 17 10.948 -14.882 -4.827 132 HE2 HIS 17 HE2 HIS 17 9.860 -12.884 -3.718 133 H GLY 18 H GLY 18 5.737 -16.102 -5.774 134 HA2 GLY 18 1HA GLY 18 3.873 -14.507 -4.277 135 HA3 GLY 18 2HA GLY 18 4.472 -16.106 -3.853 136 H GLN 19 H GLN 19 4.456 -15.125 -1.658 137 HA GLN 19 HA GLN 19 5.614 -14.682 0.225 138 HB2 GLN 19 1HB GLN 19 8.072 -14.404 -1.551 139 HB3 GLN 19 2HB GLN 19 8.093 -14.536 0.211 140 HG2 GLN 19 1HG GLN 19 7.264 -16.812 0.105 141 HG3 GLN 19 2HG GLN 19 7.006 -16.693 -1.637 142 HE21 GLN 19 2HE2 GLN 19 8.801 -16.656 -3.033 143 HE22 GLN 19 1HE2 GLN 19 10.348 -17.238 -2.534 144 H GLY 20 H GLY 20 5.097 -12.410 -2.124 145 HA2 GLY 20 1HA GLY 20 6.192 -10.116 -0.640 146 HA3 GLY 20 2HA GLY 20 5.449 -10.073 -2.235 147 H LEU 21 H LEU 21 4.518 -8.160 -0.678 148 HA LEU 21 HA LEU 21 2.147 -9.098 0.755 149 HB2 LEU 21 1HB LEU 21 3.524 -7.231 1.735 150 HB3 LEU 21 2HB LEU 21 3.120 -6.236 0.345 151 HG LEU 21 HG LEU 21 0.697 -6.361 0.966 152 HD11 LEU 21 1HD1 LEU 21 0.689 -8.507 2.140 153 HD12 LEU 21 2HD1 LEU 21 0.020 -7.238 3.154 154 HD13 LEU 21 3HD1 LEU 21 1.657 -7.823 3.452 155 HD21 LEU 21 3HD2 LEU 21 2.475 -5.295 3.192 156 HD22 LEU 21 1HD2 LEU 21 0.790 -4.848 2.909 157 HD23 LEU 21 2HD2 LEU 21 2.022 -4.433 1.721 158 H ARG 22 H ARG 22 0.457 -9.583 -0.464 159 HA ARG 22 HA ARG 22 -0.145 -8.295 -2.989 160 HB2 ARG 22 1HB ARG 22 -1.656 -10.399 -1.387 161 HB3 ARG 22 2HB ARG 22 -2.161 -9.812 -2.972 162 HG2 ARG 22 1HG ARG 22 -0.070 -10.691 -3.966 163 HG3 ARG 22 2HG ARG 22 0.444 -11.267 -2.376 164 HD2 ARG 22 1HD ARG 22 -1.554 -12.758 -2.305 165 HD3 ARG 22 2HD ARG 22 -2.002 -12.213 -3.923 166 HE ARG 22 HE ARG 22 0.169 -13.182 -4.692 167 HH11 ARG 22 1HH1 ARG 22 -1.204 -14.411 -1.699 168 HH12 ARG 22 2HH1 ARG 22 -0.517 -15.990 -1.894 169 HH21 ARG 22 1HH2 ARG 22 1.058 -15.264 -4.923 170 HH22 ARG 22 2HH2 ARG 22 0.755 -16.472 -3.716 171 H PHE 23 H PHE 23 -1.747 -6.811 -3.346 172 HA PHE 23 HA PHE 23 -3.093 -5.624 -0.982 173 HB2 PHE 23 1HB PHE 23 -2.197 -4.320 -3.595 174 HB3 PHE 23 2HB PHE 23 -3.175 -3.517 -2.373 175 HD1 PHE 23 HD2 PHE 23 -2.198 -3.025 -0.101 176 HD2 PHE 23 HD1 PHE 23 0.197 -4.492 -3.325 177 HE1 PHE 23 HE2 PHE 23 -0.162 -2.270 1.058 178 HE2 PHE 23 HE1 PHE 23 2.219 -3.738 -2.160 179 HZ PHE 23 HZ PHE 23 2.049 -2.625 0.030 180 H ALA 24 H ALA 24 -5.287 -5.539 -1.007 181 HA ALA 24 HA ALA 24 -6.819 -6.513 -3.293 182 HB1 ALA 24 3HB ALA 24 -7.729 -5.471 -0.576 183 HB2 ALA 24 1HB ALA 24 -7.491 -7.165 -1.015 184 HB3 ALA 24 2HB ALA 24 -8.769 -6.227 -1.786 185 H ALA 25 H ALA 25 -8.092 -5.202 -4.630 186 HA ALA 25 HA ALA 25 -7.229 -2.552 -5.123 187 HB1 ALA 25 3HB ALA 25 -8.956 -2.522 -6.872 188 HB2 ALA 25 1HB ALA 25 -9.684 -3.985 -6.198 189 HB3 ALA 25 2HB ALA 25 -8.064 -4.043 -6.894 190 H GLY 26 H GLY 26 -8.019 -0.598 -4.509 191 HA2 GLY 26 1HA GLY 26 -9.635 0.997 -3.937 192 HA3 GLY 26 2HA GLY 26 -10.747 -0.276 -3.451 193 H GLU 27 H GLU 27 -8.138 -1.316 -1.935 194 HA GLU 27 HA GLU 27 -8.914 -0.414 0.627 195 HB2 GLU 27 1HB GLU 27 -6.424 -1.916 -0.290 196 HB3 GLU 27 2HB GLU 27 -6.745 -1.541 1.403 197 HG2 GLU 27 1HG GLU 27 -8.447 -3.279 -0.415 198 HG3 GLU 27 2HG GLU 27 -7.402 -3.826 0.898 199 H LEU 28 H LEU 28 -8.363 1.257 1.799 200 HA LEU 28 HA LEU 28 -6.538 3.311 0.880 201 HB2 LEU 28 1HB LEU 28 -7.937 3.160 3.584 202 HB3 LEU 28 2HB LEU 28 -7.345 4.597 2.759 203 HG LEU 28 HG LEU 28 -9.770 2.923 1.967 204 HD11 LEU 28 1HD1 LEU 28 -9.622 5.733 3.111 205 HD12 LEU 28 2HD1 LEU 28 -10.160 4.280 3.960 206 HD13 LEU 28 3HD1 LEU 28 -11.089 4.890 2.594 207 HD21 LEU 28 3HD2 LEU 28 -10.229 4.618 0.245 208 HD22 LEU 28 1HD2 LEU 28 -8.698 3.800 -0.052 209 HD23 LEU 28 2HD2 LEU 28 -8.708 5.431 0.620 210 H ILE 29 H ILE 29 -4.432 2.677 1.038 211 HA ILE 29 HA ILE 29 -3.453 1.150 3.354 212 HB ILE 29 HB ILE 29 -2.020 1.826 0.732 213 HG12 ILE 29 1HG1 ILE 29 -3.953 0.343 0.295 214 HG13 ILE 29 2HG1 ILE 29 -2.451 -0.547 0.082 215 HG21 ILE 29 1HG2 ILE 29 -0.419 1.418 2.547 216 HG22 ILE 29 2HG2 ILE 29 -0.385 0.070 1.410 217 HG23 ILE 29 3HG2 ILE 29 -1.220 -0.102 2.957 218 HD11 ILE 29 3HD1 ILE 29 -4.132 -1.895 1.186 219 HD12 ILE 29 1HD1 ILE 29 -4.284 -0.706 2.478 220 HD13 ILE 29 2HD1 ILE 29 -2.775 -1.602 2.273 221 H THR 30 H THR 30 -2.733 2.331 5.010 222 HA THR 30 HA THR 30 -1.776 5.030 4.807 223 HB THR 30 HB THR 30 -1.543 3.086 7.159 224 HG1 THR 30 HG1 THR 30 -3.610 3.423 7.352 225 HG21 THR 30 3HG2 THR 30 -1.328 5.145 8.542 226 HG22 THR 30 1HG2 THR 30 -1.319 6.130 7.084 227 HG23 THR 30 2HG2 THR 30 0.004 5.000 7.395 228 H LEU 31 H LEU 31 0.211 5.608 4.210 229 HA LEU 31 HA LEU 31 2.460 3.823 4.100 230 HB2 LEU 31 1HB LEU 31 2.394 6.851 3.813 231 HB3 LEU 31 2HB LEU 31 3.749 5.804 3.403 232 HG LEU 31 HG LEU 31 1.045 5.870 1.988 233 HD11 LEU 31 1HD1 LEU 31 2.415 7.834 1.476 234 HD12 LEU 31 2HD1 LEU 31 2.290 6.777 0.073 235 HD13 LEU 31 3HD1 LEU 31 3.777 6.797 1.027 236 HD21 LEU 31 3HD2 LEU 31 1.924 3.575 1.983 237 HD22 LEU 31 1HD2 LEU 31 3.480 4.142 1.367 238 HD23 LEU 31 2HD2 LEU 31 2.029 4.271 0.370 239 H LEU 32 H LEU 32 3.858 3.411 5.715 240 HA LEU 32 HA LEU 32 3.422 4.439 8.371 241 HB2 LEU 32 1HB LEU 32 5.604 2.644 7.235 242 HB3 LEU 32 2HB LEU 32 5.420 3.002 8.950 243 HG LEU 32 HG LEU 32 3.375 1.530 7.234 244 HD11 LEU 32 1HD1 LEU 32 5.314 0.456 9.314 245 HD12 LEU 32 2HD1 LEU 32 5.380 0.178 7.571 246 HD13 LEU 32 3HD1 LEU 32 4.043 -0.467 8.511 247 HD21 LEU 32 3HD2 LEU 32 2.283 2.793 9.037 248 HD22 LEU 32 1HD2 LEU 32 3.373 2.083 10.231 249 HD23 LEU 32 2HD2 LEU 32 2.215 1.067 9.370 250 H GLN 33 H GLN 33 6.046 4.623 6.019 251 HA GLN 33 HA GLN 33 7.059 7.128 7.077 252 HB2 GLN 33 1HB GLN 33 8.058 5.266 8.524 253 HB3 GLN 33 2HB GLN 33 8.830 4.632 7.073 254 HG2 GLN 33 1HG GLN 33 10.091 6.777 6.849 255 HG3 GLN 33 2HG GLN 33 9.343 7.349 8.341 256 HE21 GLN 33 2HE2 GLN 33 12.164 6.984 7.808 257 HE22 GLN 33 1HE2 GLN 33 12.755 5.840 8.958 258 H VAL 34 H VAL 34 8.779 7.961 5.691 259 HA VAL 34 HA VAL 34 8.620 7.015 2.906 260 HB VAL 34 HB VAL 34 9.536 9.298 2.321 261 HG11 VAL 34 1HG1 VAL 34 6.940 9.305 3.929 262 HG12 VAL 34 2HG1 VAL 34 7.107 8.835 2.235 263 HG13 VAL 34 3HG1 VAL 34 7.397 10.507 2.716 264 HG21 VAL 34 3HG2 VAL 34 9.111 9.932 5.283 265 HG22 VAL 34 1HG2 VAL 34 9.458 11.126 4.026 266 HG23 VAL 34 2HG2 VAL 34 10.661 9.905 4.443 267 HA PRO 35 HA PRO 35 12.729 5.420 4.356 268 HB2 PRO 35 1HB PRO 35 12.784 3.104 3.015 269 HB3 PRO 35 2HB PRO 35 11.644 3.332 4.354 270 HG2 PRO 35 1HG PRO 35 11.140 3.609 1.379 271 HG3 PRO 35 2HG PRO 35 10.197 2.702 2.584 272 HD2 PRO 35 1HD PRO 35 9.510 5.233 1.777 273 HD3 PRO 35 2HD PRO 35 9.163 4.614 3.406 274 H ASP 36 H ASP 36 11.795 6.627 1.374 275 HA ASP 36 HA ASP 36 14.450 7.043 0.393 276 HB2 ASP 36 1HB ASP 36 14.208 4.753 -0.426 277 HB3 ASP 36 2HB ASP 36 12.612 5.100 -1.085 278 H GLY 37 H GLY 37 11.213 6.704 -1.064 279 HA2 GLY 37 1HA GLY 37 10.104 9.077 -1.307 280 HA3 GLY 37 2HA GLY 37 11.473 9.323 -2.391 281 H GLY 38 H GLY 38 11.776 7.084 -3.758 282 HA2 GLY 38 1HA GLY 38 9.513 6.852 -5.512 283 HA3 GLY 38 2HA GLY 38 10.981 5.883 -5.564 284 H TRP 39 H TRP 39 11.061 4.678 -3.191 285 HA TRP 39 HA TRP 39 8.760 2.853 -3.122 286 HB2 TRP 39 1HB TRP 39 11.425 2.726 -1.626 287 HB3 TRP 39 2HB TRP 39 10.194 1.466 -1.643 288 HD1 TRP 39 HD1 TRP 39 12.804 3.113 -3.988 289 HE1 TRP 39 HE1 TRP 39 13.372 1.441 -5.852 290 HE3 TRP 39 HE3 TRP 39 9.360 -0.532 -2.924 291 HZ2 TRP 39 HZ2 TRP 39 12.502 -1.080 -6.760 292 HZ3 TRP 39 HZ3 TRP 39 9.301 -2.548 -4.338 293 HH2 TRP 39 HH2 TRP 39 10.842 -2.819 -6.220 294 H TRP 40 H TRP 40 7.306 2.851 -1.484 295 HA TRP 40 HA TRP 40 7.882 4.245 1.055 296 HB2 TRP 40 1HB TRP 40 5.380 4.570 -0.657 297 HB3 TRP 40 2HB TRP 40 5.395 4.954 1.059 298 HD1 TRP 40 HD1 TRP 40 8.224 6.458 1.180 299 HE1 TRP 40 HE1 TRP 40 8.416 8.817 0.190 300 HE3 TRP 40 HE3 TRP 40 4.249 6.345 -2.026 301 HZ2 TRP 40 HZ2 TRP 40 7.094 10.425 -1.669 302 HZ3 TRP 40 HZ3 TRP 40 3.788 8.345 -3.377 303 HH2 TRP 40 HH2 TRP 40 5.176 10.347 -3.204 304 H GLU 41 H GLU 41 6.706 3.450 2.889 305 HA GLU 41 HA GLU 41 6.406 0.528 2.771 306 HB2 GLU 41 1HB GLU 41 6.620 2.431 5.154 307 HB3 GLU 41 2HB GLU 41 6.575 0.664 5.259 308 HG2 GLU 41 1HG GLU 41 8.691 0.517 4.036 309 HG3 GLU 41 2HG GLU 41 8.726 2.272 3.841 310 H GLY 42 H GLY 42 4.597 -0.542 3.491 311 HA2 GLY 42 1HA GLY 42 2.247 0.864 4.554 312 HA3 GLY 42 2HA GLY 42 2.067 -0.034 3.047 313 H GLU 43 H GLU 43 0.498 -0.834 5.111 314 HA GLU 43 HA GLU 43 1.728 -3.347 6.117 315 HB2 GLU 43 1HB GLU 43 -0.225 -1.513 7.574 316 HB3 GLU 43 2HB GLU 43 0.216 -3.129 8.130 317 HG2 GLU 43 1HG GLU 43 2.613 -2.316 8.207 318 HG3 GLU 43 2HG GLU 43 1.994 -0.690 7.925 319 H LYS 44 H LYS 44 0.257 -5.012 6.634 320 HA LYS 44 HA LYS 44 -2.529 -4.830 5.665 321 HB2 LYS 44 1HB LYS 44 -0.757 -6.489 4.470 322 HB3 LYS 44 2HB LYS 44 -1.106 -7.512 5.852 323 HG2 LYS 44 1HG LYS 44 -3.134 -6.494 3.818 324 HG3 LYS 44 2HG LYS 44 -2.412 -8.105 3.835 325 HD2 LYS 44 1HD LYS 44 -3.474 -8.465 6.100 326 HD3 LYS 44 2HD LYS 44 -4.297 -6.916 5.915 327 HE2 LYS 44 1HE LYS 44 -5.805 -8.726 5.317 328 HE3 LYS 44 2HE LYS 44 -5.419 -7.793 3.871 329 HZ1 LYS 44 3HZ LYS 44 -3.814 -9.492 3.274 330 HZ2 LYS 44 1HZ LYS 44 -5.361 -10.158 3.450 331 HZ3 LYS 44 2HZ LYS 44 -4.199 -10.379 4.656 332 H GLU 45 H GLU 45 -4.029 -5.723 7.139 333 HA GLU 45 HA GLU 45 -3.439 -5.494 9.900 334 HB2 GLU 45 1HB GLU 45 -5.944 -6.790 8.737 335 HB3 GLU 45 2HB GLU 45 -5.769 -6.017 10.301 336 HG2 GLU 45 1HG GLU 45 -6.879 -4.336 9.199 337 HG3 GLU 45 2HG GLU 45 -5.226 -3.863 8.827 338 H ASP 46 H ASP 46 -2.933 -8.077 7.796 339 HA ASP 46 HA ASP 46 -3.312 -10.324 9.551 340 HB2 ASP 46 1HB ASP 46 -3.501 -10.419 7.051 341 HB3 ASP 46 2HB ASP 46 -1.777 -10.084 6.920 342 H GLY 47 H GLY 47 -0.939 -7.900 9.378 343 HA2 GLY 47 1HA GLY 47 0.754 -7.693 11.058 344 HA3 GLY 47 2HA GLY 47 0.929 -9.439 11.094 345 H LEU 48 H LEU 48 0.788 -9.067 7.950 346 HA LEU 48 HA LEU 48 3.682 -8.895 7.571 347 HB2 LEU 48 1HB LEU 48 1.410 -9.748 5.727 348 HB3 LEU 48 2HB LEU 48 3.053 -9.547 5.152 349 HG LEU 48 HG LEU 48 2.629 -11.900 5.518 350 HD11 LEU 48 1HD1 LEU 48 4.475 -10.849 7.678 351 HD12 LEU 48 2HD1 LEU 48 4.891 -11.127 5.986 352 HD13 LEU 48 3HD1 LEU 48 4.467 -12.489 7.019 353 HD21 LEU 48 3HD2 LEU 48 0.808 -11.769 7.145 354 HD22 LEU 48 1HD2 LEU 48 1.936 -11.246 8.400 355 HD23 LEU 48 2HD2 LEU 48 2.069 -12.864 7.704 356 H ARG 49 H ARG 49 4.704 -7.255 6.598 357 HA ARG 49 HA ARG 49 3.164 -4.927 5.583 358 HB2 ARG 49 1HB ARG 49 6.009 -4.947 6.707 359 HB3 ARG 49 2HB ARG 49 5.065 -3.528 6.245 360 HG2 ARG 49 1HG ARG 49 3.460 -4.048 8.100 361 HG3 ARG 49 2HG ARG 49 4.496 -5.400 8.576 362 HD2 ARG 49 1HD ARG 49 5.231 -2.447 8.586 363 HD3 ARG 49 2HD ARG 49 4.937 -3.466 9.995 364 HE ARG 49 HE ARG 49 6.947 -4.732 9.395 365 HH11 ARG 49 1HH1 ARG 49 6.659 -1.541 7.963 366 HH12 ARG 49 2HH1 ARG 49 8.369 -1.335 7.778 367 HH21 ARG 49 1HH2 ARG 49 9.182 -4.463 9.128 368 HH22 ARG 49 2HH2 ARG 49 9.802 -2.997 8.441 369 H GLY 50 H GLY 50 4.549 -3.619 3.996 370 HA2 GLY 50 1HA GLY 50 6.641 -4.915 2.512 371 HA3 GLY 50 2HA GLY 50 5.110 -4.885 1.628 372 H TRP 51 H TRP 51 7.569 -3.544 0.930 373 HA TRP 51 HA TRP 51 6.670 -0.717 0.930 374 HB2 TRP 51 1HB TRP 51 9.142 -0.122 0.722 375 HB3 TRP 51 2HB TRP 51 8.661 -0.759 2.285 376 HD1 TRP 51 HD1 TRP 51 9.261 -3.554 2.601 377 HE1 TRP 51 HE1 TRP 51 11.408 -4.777 1.902 378 HE3 TRP 51 HE3 TRP 51 11.029 -0.218 -0.846 379 HZ2 TRP 51 HZ2 TRP 51 13.561 -4.403 0.140 380 HZ3 TRP 51 HZ3 TRP 51 13.143 -0.728 -2.002 381 HH2 TRP 51 HH2 TRP 51 14.386 -2.782 -1.518 382 H PHE 52 H PHE 52 6.361 0.116 -1.032 383 HA PHE 52 HA PHE 52 7.188 -1.276 -3.479 384 HB2 PHE 52 1HB PHE 52 4.268 -0.970 -2.590 385 HB3 PHE 52 2HB PHE 52 4.727 -1.290 -4.257 386 HD1 PHE 52 HD2 PHE 52 5.626 -3.490 -4.926 387 HD2 PHE 52 HD1 PHE 52 4.453 -2.744 -0.879 388 HE1 PHE 52 HE2 PHE 52 5.662 -5.911 -4.462 389 HE2 PHE 52 HE1 PHE 52 4.501 -5.160 -0.424 390 HZ PHE 52 HZ PHE 52 5.100 -6.748 -2.212 391 HA PRO 53 HA PRO 53 7.213 2.898 -5.125 392 HB2 PRO 53 1HB PRO 53 6.313 1.894 -7.790 393 HB3 PRO 53 2HB PRO 53 7.841 2.659 -7.338 394 HG2 PRO 53 1HG PRO 53 7.720 0.034 -7.915 395 HG3 PRO 53 2HG PRO 53 8.802 0.643 -6.639 396 HD2 PRO 53 1HD PRO 53 6.066 -0.631 -6.357 397 HD3 PRO 53 2HD PRO 53 7.561 -0.975 -5.455 398 H ALA 54 H ALA 54 5.895 4.621 -5.776 399 HA ALA 54 HA ALA 54 3.164 4.567 -4.985 400 HB1 ALA 54 3HB ALA 54 4.614 6.545 -4.689 401 HB2 ALA 54 1HB ALA 54 3.153 6.950 -5.595 402 HB3 ALA 54 2HB ALA 54 4.693 6.755 -6.438 403 H SER 55 H SER 55 4.646 3.854 -7.970 404 HA SER 55 HA SER 55 2.876 4.682 -9.946 405 HB2 SER 55 1HB SER 55 5.111 3.691 -10.366 406 HB3 SER 55 2HB SER 55 4.520 2.114 -9.845 407 HG SER 55 HG SER 55 3.397 3.583 -11.997 408 H TYR 56 H TYR 56 2.370 2.196 -7.541 409 HA TYR 56 HA TYR 56 0.165 0.941 -9.074 410 HB2 TYR 56 1HB TYR 56 1.669 -0.125 -6.641 411 HB3 TYR 56 2HB TYR 56 0.477 -1.007 -7.595 412 HD1 TYR 56 HD2 TYR 56 1.013 -1.417 -10.112 413 HD2 TYR 56 HD1 TYR 56 3.984 -0.200 -7.277 414 HE1 TYR 56 HE2 TYR 56 2.781 -2.138 -11.654 415 HE2 TYR 56 HE1 TYR 56 5.747 -0.914 -8.841 416 HH TYR 56 HH TYR 56 6.006 -2.479 -10.775 417 H VAL 57 H VAL 57 0.612 3.214 -6.630 418 HA VAL 57 HA VAL 57 -2.124 2.825 -5.574 419 HB VAL 57 HB VAL 57 -1.301 3.536 -3.262 420 HG11 VAL 57 1HG1 VAL 57 -1.900 1.181 -3.698 421 HG12 VAL 57 2HG1 VAL 57 -0.555 1.280 -2.563 422 HG13 VAL 57 3HG1 VAL 57 -0.255 0.847 -4.248 423 HG21 VAL 57 3HG2 VAL 57 1.100 3.189 -2.670 424 HG22 VAL 57 1HG2 VAL 57 0.910 4.471 -3.872 425 HG23 VAL 57 2HG2 VAL 57 1.471 2.873 -4.366 426 H GLN 58 H GLN 58 -3.286 4.662 -5.816 427 HA GLN 58 HA GLN 58 -2.031 7.179 -6.502 428 HB2 GLN 58 1HB GLN 58 -4.166 6.445 -7.583 429 HB3 GLN 58 2HB GLN 58 -4.985 6.567 -6.030 430 HG2 GLN 58 1HG GLN 58 -4.560 8.985 -5.975 431 HG3 GLN 58 2HG GLN 58 -3.663 8.883 -7.488 432 HE21 GLN 58 2HE2 GLN 58 -5.021 10.310 -8.577 433 HE22 GLN 58 1HE2 GLN 58 -6.645 9.917 -9.016 434 H LEU 59 H LEU 59 -1.630 8.819 -5.149 435 HA LEU 59 HA LEU 59 -1.639 8.336 -2.329 436 HB2 LEU 59 1HB LEU 59 -0.871 10.897 -3.779 437 HB3 LEU 59 2HB LEU 59 -0.358 10.386 -2.173 438 HG LEU 59 HG LEU 59 0.461 9.097 -4.819 439 HD11 LEU 59 1HD1 LEU 59 1.543 11.257 -4.459 440 HD12 LEU 59 2HD1 LEU 59 2.710 9.946 -4.313 441 HD13 LEU 59 3HD1 LEU 59 2.098 10.746 -2.862 442 HD21 LEU 59 3HD2 LEU 59 1.980 7.671 -3.477 443 HD22 LEU 59 1HD2 LEU 59 0.286 7.373 -3.092 444 HD23 LEU 59 2HD2 LEU 59 1.285 8.324 -1.992 445 H LEU 60 H LEU 60 -2.994 9.125 -0.806 446 HA LEU 60 HA LEU 60 -5.209 10.918 -1.558 447 HB2 LEU 60 1HB LEU 60 -4.838 9.241 0.958 448 HB3 LEU 60 2HB LEU 60 -6.280 10.145 0.521 449 HG LEU 60 HG LEU 60 -5.198 7.682 -0.912 450 HD11 LEU 60 1HD1 LEU 60 -6.201 7.143 1.252 451 HD12 LEU 60 2HD1 LEU 60 -7.193 6.536 -0.070 452 HD13 LEU 60 3HD1 LEU 60 -7.686 7.991 0.805 453 HD21 LEU 60 3HD2 LEU 60 -6.254 9.197 -2.530 454 HD22 LEU 60 1HD2 LEU 60 -7.714 9.275 -1.539 455 HD23 LEU 60 2HD2 LEU 60 -7.235 7.753 -2.299 Start of MODEL 5 1 H1 MET 1 1H MET 1 -2.789 5.006 14.951 2 H2 MET 1 2H MET 1 -3.385 5.243 13.387 3 H3 MET 1 3H MET 1 -3.620 6.424 14.568 4 HA MET 1 HA MET 1 -1.305 6.890 14.684 5 HB2 MET 1 1HB MET 1 -0.433 4.638 14.193 6 HB3 MET 1 2HB MET 1 -1.069 4.708 12.558 7 HG2 MET 1 1HG MET 1 0.510 6.521 12.024 8 HG3 MET 1 2HG MET 1 1.154 6.442 13.668 9 HE1 MET 1 3HE MET 1 3.997 4.869 11.363 10 HE2 MET 1 1HE MET 1 3.629 6.168 12.494 11 HE3 MET 1 2HE MET 1 2.887 6.155 10.891 12 H SER 2 H SER 2 -1.158 8.856 13.754 13 HA SER 2 HA SER 2 -2.454 9.632 11.315 14 HB2 SER 2 1HB SER 2 -0.255 11.076 12.867 15 HB3 SER 2 2HB SER 2 -1.332 11.790 11.664 16 HG SER 2 HG SER 2 -1.789 11.897 14.107 17 H GLY 3 H GLY 3 -1.739 8.656 9.487 18 HA2 GLY 3 1HA GLY 3 1.075 8.969 8.666 19 HA3 GLY 3 2HA GLY 3 0.377 7.349 8.656 20 H ALA 4 H ALA 4 1.366 8.538 6.355 21 HA ALA 4 HA ALA 4 -0.633 9.738 4.718 22 HB1 ALA 4 3HB ALA 4 1.914 8.262 3.914 23 HB2 ALA 4 1HB ALA 4 1.768 9.999 4.207 24 HB3 ALA 4 2HB ALA 4 0.923 9.262 2.845 25 H ARG 5 H ARG 5 -2.030 8.737 3.236 26 HA ARG 5 HA ARG 5 -2.254 5.783 3.362 27 HB2 ARG 5 1HB ARG 5 -4.531 7.804 3.491 28 HB3 ARG 5 2HB ARG 5 -4.739 6.057 3.339 29 HG2 ARG 5 1HG ARG 5 -3.682 5.728 5.548 30 HG3 ARG 5 2HG ARG 5 -3.429 7.472 5.695 31 HD2 ARG 5 1HD ARG 5 -6.100 6.019 5.578 32 HD3 ARG 5 2HD ARG 5 -5.392 6.818 6.991 33 HE ARG 5 HE ARG 5 -6.790 8.049 4.772 34 HH11 ARG 5 1HH1 ARG 5 -4.586 8.695 7.431 35 HH12 ARG 5 2HH1 ARG 5 -4.896 10.400 7.430 36 HH21 ARG 5 1HH2 ARG 5 -7.189 10.281 4.794 37 HH22 ARG 5 2HH2 ARG 5 -6.392 11.295 5.952 38 H CYS 6 H CYS 6 -2.659 4.790 1.518 39 HA CYS 6 HA CYS 6 -3.270 6.301 -0.940 40 HB2 CYS 6 1HB CYS 6 -1.275 4.028 -0.622 41 HB3 CYS 6 2HB CYS 6 -1.735 4.763 -2.157 42 HG CYS 6 HG CYS 6 -0.779 7.160 -0.198 43 H ARG 7 H ARG 7 -4.069 4.778 -2.677 44 HA ARG 7 HA ARG 7 -5.340 2.306 -1.713 45 HB2 ARG 7 1HB ARG 7 -7.041 4.133 -1.601 46 HB3 ARG 7 2HB ARG 7 -6.781 4.473 -3.310 47 HG2 ARG 7 1HG ARG 7 -7.598 2.181 -3.867 48 HG3 ARG 7 2HG ARG 7 -7.897 1.887 -2.152 49 HD2 ARG 7 1HD ARG 7 -9.963 2.511 -3.351 50 HD3 ARG 7 2HD ARG 7 -9.555 3.697 -2.100 51 HE ARG 7 HE ARG 7 -8.872 4.115 -4.959 52 HH11 ARG 7 1HH1 ARG 7 -10.439 5.294 -2.043 53 HH12 ARG 7 2HH1 ARG 7 -10.726 6.863 -2.714 54 HH21 ARG 7 1HH2 ARG 7 -9.263 6.165 -5.812 55 HH22 ARG 7 2HH2 ARG 7 -10.076 7.354 -4.841 56 H THR 8 H THR 8 -5.251 0.684 -3.207 57 HA THR 8 HA THR 8 -3.635 0.897 -5.529 58 HB THR 8 HB THR 8 -4.756 -1.501 -5.953 59 HG1 THR 8 HG1 THR 8 -5.433 -2.287 -3.783 60 HG21 THR 8 3HG2 THR 8 -3.198 -2.530 -4.341 61 HG22 THR 8 1HG2 THR 8 -2.973 -0.971 -3.542 62 HG23 THR 8 2HG2 THR 8 -2.420 -1.203 -5.201 63 H LEU 9 H LEU 9 -4.136 1.399 -7.559 64 HA LEU 9 HA LEU 9 -6.758 2.308 -8.345 65 HB2 LEU 9 1HB LEU 9 -4.298 1.858 -10.107 66 HB3 LEU 9 2HB LEU 9 -5.734 2.768 -10.536 67 HG LEU 9 HG LEU 9 -5.057 4.374 -8.584 68 HD11 LEU 9 1HD1 LEU 9 -2.390 2.986 -8.952 69 HD12 LEU 9 2HD1 LEU 9 -3.377 3.014 -7.485 70 HD13 LEU 9 3HD1 LEU 9 -2.654 4.503 -8.085 71 HD21 LEU 9 3HD2 LEU 9 -3.594 5.688 -10.057 72 HD22 LEU 9 1HD2 LEU 9 -4.955 5.015 -10.954 73 HD23 LEU 9 2HD2 LEU 9 -3.355 4.282 -11.101 74 H TYR 10 H TYR 10 -4.685 -0.440 -8.901 75 HA TYR 10 HA TYR 10 -6.859 -2.056 -10.080 76 HB2 TYR 10 1HB TYR 10 -3.899 -2.143 -10.895 77 HB3 TYR 10 2HB TYR 10 -5.191 -3.135 -11.567 78 HD1 TYR 10 HD2 TYR 10 -7.066 -1.976 -12.893 79 HD2 TYR 10 HD1 TYR 10 -3.441 0.030 -11.827 80 HE1 TYR 10 HE2 TYR 10 -7.522 -0.250 -14.579 81 HE2 TYR 10 HE1 TYR 10 -3.906 1.759 -13.513 82 HH TYR 10 HH TYR 10 -6.940 2.056 -15.062 83 HA PRO 11 HA PRO 11 -5.808 -4.851 -6.732 84 HB2 PRO 11 1HB PRO 11 -6.278 -7.231 -8.481 85 HB3 PRO 11 2HB PRO 11 -7.156 -6.703 -7.038 86 HG2 PRO 11 1HG PRO 11 -8.237 -6.499 -9.502 87 HG3 PRO 11 2HG PRO 11 -8.561 -5.292 -8.238 88 HD2 PRO 11 1HD PRO 11 -6.629 -5.134 -10.563 89 HD3 PRO 11 2HD PRO 11 -7.759 -3.904 -9.949 90 H PHE 12 H PHE 12 -4.019 -5.899 -5.939 91 HA PHE 12 HA PHE 12 -1.757 -6.432 -7.720 92 HB2 PHE 12 1HB PHE 12 -1.340 -5.214 -5.561 93 HB3 PHE 12 2HB PHE 12 -1.922 -6.602 -4.653 94 HD1 PHE 12 HD1 PHE 12 0.825 -5.332 -6.808 95 HD2 PHE 12 HD2 PHE 12 -0.484 -8.540 -4.301 96 HE1 PHE 12 HE1 PHE 12 3.104 -6.258 -6.792 97 HE2 PHE 12 HE2 PHE 12 1.796 -9.458 -4.288 98 HZ PHE 12 HZ PHE 12 3.593 -8.319 -5.534 99 H SER 13 H SER 13 -1.890 -8.295 -8.724 100 HA SER 13 HA SER 13 -3.530 -10.452 -8.066 101 HB2 SER 13 1HB SER 13 -1.085 -10.391 -9.884 102 HB3 SER 13 2HB SER 13 -2.305 -11.666 -9.878 103 HG SER 13 HG SER 13 -2.412 -9.098 -10.898 104 H GLY 14 H GLY 14 -3.218 -12.352 -6.995 105 HA2 GLY 14 1HA GLY 14 -1.097 -12.599 -5.065 106 HA3 GLY 14 2HA GLY 14 -2.408 -13.739 -5.347 107 H GLU 15 H GLU 15 0.614 -12.563 -6.769 108 HA GLU 15 HA GLU 15 0.965 -14.702 -8.612 109 HB2 GLU 15 1HB GLU 15 2.965 -12.614 -7.615 110 HB3 GLU 15 2HB GLU 15 3.207 -13.676 -9.004 111 HG2 GLU 15 1HG GLU 15 1.032 -11.562 -8.750 112 HG3 GLU 15 2HG GLU 15 2.535 -11.389 -9.659 113 H ARG 16 H ARG 16 0.998 -16.646 -7.669 114 HA ARG 16 HA ARG 16 2.487 -17.283 -5.280 115 HB2 ARG 16 1HB ARG 16 0.911 -18.985 -7.256 116 HB3 ARG 16 2HB ARG 16 1.689 -19.647 -5.818 117 HG2 ARG 16 1HG ARG 16 0.267 -18.300 -4.366 118 HG3 ARG 16 2HG ARG 16 -0.446 -17.477 -5.758 119 HD2 ARG 16 1HD ARG 16 -1.531 -19.509 -6.489 120 HD3 ARG 16 2HD ARG 16 -0.667 -20.473 -5.286 121 HE ARG 16 HE ARG 16 -1.908 -19.031 -3.592 122 HH11 ARG 16 1HH1 ARG 16 -3.327 -19.755 -6.721 123 HH12 ARG 16 2HH1 ARG 16 -4.948 -19.758 -6.114 124 HH21 ARG 16 1HH2 ARG 16 -4.014 -19.045 -2.810 125 HH22 ARG 16 2HH2 ARG 16 -5.333 -19.368 -3.883 126 H HIS 17 H HIS 17 4.488 -16.484 -6.118 127 HA HIS 17 HA HIS 17 6.297 -18.536 -6.846 128 HB2 HIS 17 1HB HIS 17 5.345 -17.895 -9.144 129 HB3 HIS 17 2HB HIS 17 6.029 -16.293 -8.912 130 HD2 HIS 17 HD2 HIS 17 7.188 -19.944 -9.669 131 HE1 HIS 17 HE1 HIS 17 10.474 -17.329 -10.177 132 HE2 HIS 17 HE2 HIS 17 9.679 -19.727 -10.340 133 H GLY 18 H GLY 18 7.407 -17.945 -5.030 134 HA2 GLY 18 1HA GLY 18 9.131 -16.736 -3.957 135 HA3 GLY 18 2HA GLY 18 8.719 -15.308 -4.904 136 H GLN 19 H GLN 19 8.099 -13.749 -3.493 137 HA GLN 19 HA GLN 19 5.800 -14.155 -1.766 138 HB2 GLN 19 1HB GLN 19 7.739 -14.881 -0.335 139 HB3 GLN 19 2HB GLN 19 8.479 -13.303 -0.555 140 HG2 GLN 19 1HG GLN 19 7.401 -13.468 1.637 141 HG3 GLN 19 2HG GLN 19 6.613 -12.242 0.642 142 HE21 GLN 19 2HE2 GLN 19 6.278 -15.440 2.052 143 HE22 GLN 19 1HE2 GLN 19 4.563 -15.548 1.871 144 H GLY 20 H GLY 20 4.706 -12.256 -1.365 145 HA2 GLY 20 1HA GLY 20 5.830 -9.626 -1.780 146 HA3 GLY 20 2HA GLY 20 4.735 -10.132 -3.067 147 H LEU 21 H LEU 21 4.261 -7.926 -1.335 148 HA LEU 21 HA LEU 21 2.286 -8.785 0.660 149 HB2 LEU 21 1HB LEU 21 3.965 -7.004 1.202 150 HB3 LEU 21 2HB LEU 21 3.295 -6.001 -0.072 151 HG LEU 21 HG LEU 21 1.140 -5.853 1.165 152 HD11 LEU 21 1HD1 LEU 21 0.963 -6.656 3.478 153 HD12 LEU 21 2HD1 LEU 21 2.536 -7.442 3.337 154 HD13 LEU 21 3HD1 LEU 21 1.181 -7.986 2.343 155 HD21 LEU 21 3HD2 LEU 21 3.552 -5.030 2.821 156 HD22 LEU 21 1HD2 LEU 21 1.916 -4.381 2.982 157 HD23 LEU 21 2HD2 LEU 21 2.829 -4.108 1.500 158 H ARG 22 H ARG 22 0.144 -8.770 0.260 159 HA ARG 22 HA ARG 22 -0.846 -8.097 -2.408 160 HB2 ARG 22 1HB ARG 22 -1.440 -10.290 -1.578 161 HB3 ARG 22 2HB ARG 22 -2.033 -9.630 -0.056 162 HG2 ARG 22 1HG ARG 22 -3.893 -8.520 -1.316 163 HG3 ARG 22 2HG ARG 22 -3.310 -9.282 -2.796 164 HD2 ARG 22 1HD ARG 22 -3.805 -11.486 -1.933 165 HD3 ARG 22 2HD ARG 22 -4.172 -10.835 -0.333 166 HE ARG 22 HE ARG 22 -6.100 -9.679 -1.385 167 HH11 ARG 22 1HH1 ARG 22 -4.832 -12.535 -3.028 168 HH12 ARG 22 2HH1 ARG 22 -6.356 -12.917 -3.757 169 HH21 ARG 22 1HH2 ARG 22 -8.067 -10.229 -2.340 170 HH22 ARG 22 2HH2 ARG 22 -8.168 -11.613 -3.374 171 H PHE 23 H PHE 23 -2.035 -6.303 -2.846 172 HA PHE 23 HA PHE 23 -4.104 -5.467 -0.933 173 HB2 PHE 23 1HB PHE 23 -2.266 -3.492 -2.380 174 HB3 PHE 23 2HB PHE 23 -3.763 -3.042 -1.577 175 HD1 PHE 23 HD1 PHE 23 -3.920 -3.692 0.994 176 HD2 PHE 23 HD2 PHE 23 -0.254 -3.297 -1.172 177 HE1 PHE 23 HE1 PHE 23 -2.702 -3.313 3.102 178 HE2 PHE 23 HE2 PHE 23 0.948 -2.922 0.940 179 HZ PHE 23 HZ PHE 23 -0.272 -2.932 3.077 180 H ALA 24 H ALA 24 -5.869 -6.030 -2.055 181 HA ALA 24 HA ALA 24 -6.097 -5.926 -4.941 182 HB1 ALA 24 3HB ALA 24 -7.251 -7.684 -3.656 183 HB2 ALA 24 1HB ALA 24 -8.413 -6.711 -4.563 184 HB3 ALA 24 2HB ALA 24 -8.219 -6.468 -2.822 185 H ALA 25 H ALA 25 -7.854 -4.644 -6.012 186 HA ALA 25 HA ALA 25 -7.450 -1.887 -5.615 187 HB1 ALA 25 3HB ALA 25 -9.144 -1.553 -7.368 188 HB2 ALA 25 1HB ALA 25 -9.648 -3.237 -7.215 189 HB3 ALA 25 2HB ALA 25 -8.030 -2.851 -7.807 190 H GLY 26 H GLY 26 -8.310 -0.546 -4.151 191 HA2 GLY 26 1HA GLY 26 -10.300 0.503 -3.198 192 HA3 GLY 26 2HA GLY 26 -10.983 -1.099 -2.949 193 H GLU 27 H GLU 27 -8.169 -2.011 -2.056 194 HA GLU 27 HA GLU 27 -8.465 -1.507 0.750 195 HB2 GLU 27 1HB GLU 27 -6.242 -2.886 -0.812 196 HB3 GLU 27 2HB GLU 27 -6.270 -2.759 0.950 197 HG2 GLU 27 1HG GLU 27 -8.428 -4.010 0.977 198 HG3 GLU 27 2HG GLU 27 -8.322 -4.176 -0.780 199 H LEU 28 H LEU 28 -7.216 -0.306 2.136 200 HA LEU 28 HA LEU 28 -5.820 1.976 0.935 201 HB2 LEU 28 1HB LEU 28 -6.946 1.558 3.733 202 HB3 LEU 28 2HB LEU 28 -5.981 2.954 3.290 203 HG LEU 28 HG LEU 28 -8.246 3.662 3.263 204 HD11 LEU 28 1HD1 LEU 28 -8.629 4.394 0.977 205 HD12 LEU 28 2HD1 LEU 28 -7.458 3.213 0.380 206 HD13 LEU 28 3HD1 LEU 28 -6.928 4.536 1.424 207 HD21 LEU 28 3HD2 LEU 28 -8.960 1.299 1.513 208 HD22 LEU 28 1HD2 LEU 28 -10.056 2.590 2.020 209 HD23 LEU 28 2HD2 LEU 28 -9.358 1.506 3.220 210 H ILE 29 H ILE 29 -3.696 1.904 0.792 211 HA ILE 29 HA ILE 29 -2.026 0.131 2.393 212 HB ILE 29 HB ILE 29 -1.218 2.174 0.240 213 HG12 ILE 29 1HG1 ILE 29 -0.812 0.044 -1.192 214 HG13 ILE 29 2HG1 ILE 29 -1.791 -0.817 -0.015 215 HG21 ILE 29 1HG2 ILE 29 0.953 0.974 0.173 216 HG22 ILE 29 2HG2 ILE 29 0.433 -0.059 1.508 217 HG23 ILE 29 3HG2 ILE 29 0.643 1.677 1.762 218 HD11 ILE 29 3HD1 ILE 29 -3.705 0.588 -0.602 219 HD12 ILE 29 1HD1 ILE 29 -3.042 -0.250 -2.003 220 HD13 ILE 29 2HD1 ILE 29 -2.707 1.465 -1.765 221 H THR 30 H THR 30 -1.631 0.850 4.423 222 HA THR 30 HA THR 30 -1.607 3.693 5.076 223 HB THR 30 HB THR 30 -1.157 1.281 6.905 224 HG1 THR 30 HG1 THR 30 -3.231 1.288 5.901 225 HG21 THR 30 3HG2 THR 30 -1.881 4.167 7.595 226 HG22 THR 30 1HG2 THR 30 -0.315 3.397 7.897 227 HG23 THR 30 2HG2 THR 30 -1.754 2.835 8.745 228 H LEU 31 H LEU 31 0.198 4.664 4.389 229 HA LEU 31 HA LEU 31 2.790 3.442 4.300 230 HB2 LEU 31 1HB LEU 31 1.953 6.325 3.838 231 HB3 LEU 31 2HB LEU 31 3.556 5.674 3.508 232 HG LEU 31 HG LEU 31 0.990 4.802 2.100 233 HD11 LEU 31 1HD1 LEU 31 1.600 7.083 1.491 234 HD12 LEU 31 2HD1 LEU 31 1.890 5.988 0.142 235 HD13 LEU 31 3HD1 LEU 31 3.249 6.574 1.107 236 HD21 LEU 31 3HD2 LEU 31 2.625 2.965 2.211 237 HD22 LEU 31 1HD2 LEU 31 3.884 4.011 1.545 238 HD23 LEU 31 2HD2 LEU 31 2.484 3.567 0.563 239 H LEU 32 H LEU 32 3.693 3.007 6.184 240 HA LEU 32 HA LEU 32 3.585 4.658 8.547 241 HB2 LEU 32 1HB LEU 32 5.410 2.307 7.907 242 HB3 LEU 32 2HB LEU 32 5.048 2.948 9.508 243 HG LEU 32 HG LEU 32 3.080 1.504 7.671 244 HD11 LEU 32 1HD1 LEU 32 4.498 0.578 10.188 245 HD12 LEU 32 2HD1 LEU 32 4.699 -0.037 8.540 246 HD13 LEU 32 3HD1 LEU 32 3.179 -0.285 9.391 247 HD21 LEU 32 3HD2 LEU 32 1.506 1.552 9.574 248 HD22 LEU 32 1HD2 LEU 32 1.902 3.178 9.022 249 HD23 LEU 32 2HD2 LEU 32 2.636 2.547 10.498 250 H GLN 33 H GLN 33 5.920 3.844 6.025 251 HA GLN 33 HA GLN 33 7.710 6.064 6.844 252 HB2 GLN 33 1HB GLN 33 8.444 3.348 5.649 253 HB3 GLN 33 2HB GLN 33 9.581 4.682 5.834 254 HG2 GLN 33 1HG GLN 33 8.121 3.315 8.122 255 HG3 GLN 33 2HG GLN 33 9.775 2.950 7.607 256 HE21 GLN 33 2HE2 GLN 33 7.719 5.269 9.228 257 HE22 GLN 33 1HE2 GLN 33 8.991 6.244 9.869 258 H VAL 34 H VAL 34 8.256 7.476 5.260 259 HA VAL 34 HA VAL 34 7.752 6.872 2.430 260 HB VAL 34 HB VAL 34 6.826 9.285 2.166 261 HG11 VAL 34 1HG1 VAL 34 5.078 7.252 3.600 262 HG12 VAL 34 2HG1 VAL 34 5.399 7.308 1.867 263 HG13 VAL 34 3HG1 VAL 34 4.492 8.612 2.636 264 HG21 VAL 34 3HG2 VAL 34 7.412 10.151 4.418 265 HG22 VAL 34 1HG2 VAL 34 6.298 9.001 5.160 266 HG23 VAL 34 2HG2 VAL 34 5.677 10.293 4.129 267 HA PRO 35 HA PRO 35 11.943 8.886 3.181 268 HB2 PRO 35 1HB PRO 35 13.470 7.052 1.853 269 HB3 PRO 35 2HB PRO 35 12.996 6.835 3.546 270 HG2 PRO 35 1HG PRO 35 11.741 5.664 1.059 271 HG3 PRO 35 2HG PRO 35 12.150 4.850 2.584 272 HD2 PRO 35 1HD PRO 35 9.613 5.677 2.031 273 HD3 PRO 35 2HD PRO 35 10.259 5.679 3.685 274 H ASP 36 H ASP 36 13.502 9.647 1.491 275 HA ASP 36 HA ASP 36 12.191 10.802 -0.764 276 HB2 ASP 36 1HB ASP 36 15.109 10.725 0.116 277 HB3 ASP 36 2HB ASP 36 14.603 11.537 -1.363 278 H GLY 37 H GLY 37 11.418 9.227 -2.064 279 HA2 GLY 37 1HA GLY 37 12.786 8.269 -4.233 280 HA3 GLY 37 2HA GLY 37 12.903 6.970 -3.046 281 H GLY 38 H GLY 38 11.681 5.790 -4.733 282 HA2 GLY 38 1HA GLY 38 8.823 6.457 -5.014 283 HA3 GLY 38 2HA GLY 38 9.713 5.228 -5.895 284 H TRP 39 H TRP 39 10.854 4.196 -3.295 285 HA TRP 39 HA TRP 39 8.701 2.221 -2.958 286 HB2 TRP 39 1HB TRP 39 11.664 2.028 -2.232 287 HB3 TRP 39 2HB TRP 39 10.494 0.705 -2.197 288 HD1 TRP 39 HD1 TRP 39 12.569 2.817 -4.655 289 HE1 TRP 39 HE1 TRP 39 12.451 1.752 -6.988 290 HE3 TRP 39 HE3 TRP 39 9.030 -0.777 -3.740 291 HZ2 TRP 39 HZ2 TRP 39 11.050 -0.319 -8.288 292 HZ3 TRP 39 HZ3 TRP 39 8.359 -2.259 -5.588 293 HH2 TRP 39 HH2 TRP 39 9.351 -2.038 -7.814 294 H TRP 40 H TRP 40 7.376 2.859 -1.384 295 HA TRP 40 HA TRP 40 8.430 3.843 1.211 296 HB2 TRP 40 1HB TRP 40 5.690 4.276 -0.088 297 HB3 TRP 40 2HB TRP 40 6.188 4.914 1.476 298 HD1 TRP 40 HD1 TRP 40 9.191 5.818 0.129 299 HE1 TRP 40 HE1 TRP 40 9.200 8.053 -1.124 300 HE3 TRP 40 HE3 TRP 40 4.177 6.270 -0.789 301 HZ2 TRP 40 HZ2 TRP 40 7.359 9.787 -2.345 302 HZ3 TRP 40 HZ3 TRP 40 3.377 8.259 -2.008 303 HH2 TRP 40 HH2 TRP 40 4.941 9.985 -2.772 304 H GLU 41 H GLU 41 7.378 3.037 3.136 305 HA GLU 41 HA GLU 41 6.640 0.212 2.859 306 HB2 GLU 41 1HB GLU 41 8.369 0.703 4.528 307 HB3 GLU 41 2HB GLU 41 7.322 1.873 5.334 308 HG2 GLU 41 1HG GLU 41 5.756 0.058 5.951 309 HG3 GLU 41 2HG GLU 41 6.774 -1.114 5.119 310 H GLY 42 H GLY 42 4.640 -0.441 2.983 311 HA2 GLY 42 1HA GLY 42 2.531 1.127 4.338 312 HA3 GLY 42 2HA GLY 42 2.273 0.235 2.844 313 H GLU 43 H GLU 43 1.213 -0.036 5.703 314 HA GLU 43 HA GLU 43 2.015 -2.833 6.217 315 HB2 GLU 43 1HB GLU 43 2.316 -1.180 8.057 316 HB3 GLU 43 2HB GLU 43 0.587 -0.875 8.060 317 HG2 GLU 43 1HG GLU 43 0.154 -3.183 8.775 318 HG3 GLU 43 2HG GLU 43 1.871 -3.566 8.668 319 H LYS 44 H LYS 44 0.597 -4.400 6.216 320 HA LYS 44 HA LYS 44 -2.207 -3.995 5.430 321 HB2 LYS 44 1HB LYS 44 -0.526 -5.635 4.283 322 HB3 LYS 44 2HB LYS 44 -0.706 -6.646 5.711 323 HG2 LYS 44 1HG LYS 44 -3.096 -6.919 5.242 324 HG3 LYS 44 2HG LYS 44 -2.965 -5.804 3.871 325 HD2 LYS 44 1HD LYS 44 -1.287 -7.414 2.845 326 HD3 LYS 44 2HD LYS 44 -1.684 -8.549 4.144 327 HE2 LYS 44 1HE LYS 44 -3.617 -7.445 2.078 328 HE3 LYS 44 2HE LYS 44 -2.932 -9.070 2.098 329 HZ1 LYS 44 3HZ LYS 44 -5.117 -9.146 3.002 330 HZ2 LYS 44 1HZ LYS 44 -4.781 -7.893 4.089 331 HZ3 LYS 44 2HZ LYS 44 -4.029 -9.392 4.269 332 H GLU 45 H GLU 45 -3.903 -5.074 6.735 333 HA GLU 45 HA GLU 45 -3.546 -4.553 9.524 334 HB2 GLU 45 1HB GLU 45 -5.912 -5.943 8.209 335 HB3 GLU 45 2HB GLU 45 -5.883 -5.269 9.826 336 HG2 GLU 45 1HG GLU 45 -7.025 -3.631 8.639 337 HG3 GLU 45 2HG GLU 45 -5.385 -2.997 8.655 338 H ASP 46 H ASP 46 -3.004 -7.387 7.676 339 HA ASP 46 HA ASP 46 -3.304 -9.393 9.681 340 HB2 ASP 46 1HB ASP 46 -1.497 -9.328 7.219 341 HB3 ASP 46 2HB ASP 46 -1.825 -10.763 8.191 342 H GLY 47 H GLY 47 -0.948 -6.931 9.210 343 HA2 GLY 47 1HA GLY 47 0.662 -6.376 10.903 344 HA3 GLY 47 2HA GLY 47 0.887 -8.087 11.231 345 H LEU 48 H LEU 48 0.719 -8.100 8.027 346 HA LEU 48 HA LEU 48 3.558 -8.284 7.594 347 HB2 LEU 48 1HB LEU 48 1.143 -8.575 5.766 348 HB3 LEU 48 2HB LEU 48 2.778 -8.602 5.134 349 HG LEU 48 HG LEU 48 3.276 -10.619 6.519 350 HD11 LEU 48 1HD1 LEU 48 1.672 -10.321 8.341 351 HD12 LEU 48 2HD1 LEU 48 1.514 -11.904 7.584 352 HD13 LEU 48 3HD1 LEU 48 0.335 -10.639 7.229 353 HD21 LEU 48 3HD2 LEU 48 2.605 -10.856 4.169 354 HD22 LEU 48 1HD2 LEU 48 0.906 -10.935 4.646 355 HD23 LEU 48 2HD2 LEU 48 2.023 -12.215 5.129 356 H ARG 49 H ARG 49 4.824 -6.584 7.187 357 HA ARG 49 HA ARG 49 3.789 -4.173 5.804 358 HB2 ARG 49 1HB ARG 49 6.373 -4.607 7.387 359 HB3 ARG 49 2HB ARG 49 5.925 -3.101 6.578 360 HG2 ARG 49 1HG ARG 49 3.988 -2.859 8.076 361 HG3 ARG 49 2HG ARG 49 4.391 -4.393 8.862 362 HD2 ARG 49 1HD ARG 49 6.161 -1.918 8.810 363 HD3 ARG 49 2HD ARG 49 5.152 -2.428 10.166 364 HE ARG 49 HE ARG 49 6.584 -4.577 10.015 365 HH11 ARG 49 1HH1 ARG 49 7.850 -1.376 9.343 366 HH12 ARG 49 2HH1 ARG 49 9.409 -1.734 10.003 367 HH21 ARG 49 1HH2 ARG 49 8.646 -5.026 10.873 368 HH22 ARG 49 2HH2 ARG 49 9.862 -3.788 10.870 369 H GLY 50 H GLY 50 5.106 -3.285 4.117 370 HA2 GLY 50 1HA GLY 50 7.354 -4.630 2.989 371 HA3 GLY 50 2HA GLY 50 5.878 -4.982 2.085 372 H TRP 51 H TRP 51 8.002 -3.713 0.956 373 HA TRP 51 HA TRP 51 7.439 -0.854 0.801 374 HB2 TRP 51 1HB TRP 51 9.345 -1.101 -1.078 375 HB3 TRP 51 2HB TRP 51 9.752 -1.090 0.632 376 HD1 TRP 51 HD1 TRP 51 10.822 -3.269 1.664 377 HE1 TRP 51 HE1 TRP 51 11.661 -5.485 0.680 378 HE3 TRP 51 HE3 TRP 51 8.849 -2.897 -3.056 379 HZ2 TRP 51 HZ2 TRP 51 11.511 -6.903 -1.730 380 HZ3 TRP 51 HZ3 TRP 51 9.239 -4.746 -4.638 381 HH2 TRP 51 HH2 TRP 51 10.546 -6.710 -3.985 382 H PHE 52 H PHE 52 6.443 0.114 -0.867 383 HA PHE 52 HA PHE 52 5.534 -1.438 -3.190 384 HB2 PHE 52 1HB PHE 52 3.817 -0.168 -1.107 385 HB3 PHE 52 2HB PHE 52 3.416 0.395 -2.722 386 HD1 PHE 52 HD2 PHE 52 3.722 -2.659 -0.607 387 HD2 PHE 52 HD1 PHE 52 2.245 -1.024 -4.273 388 HE1 PHE 52 HE2 PHE 52 2.470 -4.724 -1.040 389 HE2 PHE 52 HE1 PHE 52 1.001 -3.103 -4.696 390 HZ PHE 52 HZ PHE 52 1.114 -4.955 -3.081 391 HA PRO 53 HA PRO 53 7.107 2.230 -5.285 392 HB2 PRO 53 1HB PRO 53 5.968 1.816 -7.768 393 HB3 PRO 53 2HB PRO 53 7.415 0.970 -7.206 394 HG2 PRO 53 1HG PRO 53 4.583 0.014 -7.333 395 HG3 PRO 53 2HG PRO 53 6.078 -0.886 -7.640 396 HD2 PRO 53 1HD PRO 53 4.628 -1.056 -5.296 397 HD3 PRO 53 2HD PRO 53 6.369 -1.391 -5.395 398 H ALA 54 H ALA 54 6.327 4.241 -5.276 399 HA ALA 54 HA ALA 54 3.754 4.982 -4.450 400 HB1 ALA 54 3HB ALA 54 5.753 6.365 -4.082 401 HB2 ALA 54 1HB ALA 54 4.498 7.296 -4.908 402 HB3 ALA 54 2HB ALA 54 5.882 6.674 -5.814 403 H SER 55 H SER 55 5.066 4.401 -7.615 404 HA SER 55 HA SER 55 3.177 5.702 -9.270 405 HB2 SER 55 1HB SER 55 4.815 3.181 -9.826 406 HB3 SER 55 2HB SER 55 4.048 4.204 -11.050 407 HG SER 55 HG SER 55 5.787 5.454 -9.249 408 H TYR 56 H TYR 56 3.161 2.583 -7.612 409 HA TYR 56 HA TYR 56 0.957 1.460 -9.136 410 HB2 TYR 56 1HB TYR 56 2.940 0.146 -8.178 411 HB3 TYR 56 2HB TYR 56 2.216 0.339 -6.586 412 HD1 TYR 56 HD1 TYR 56 1.652 -1.083 -9.981 413 HD2 TYR 56 HD2 TYR 56 0.444 -1.179 -5.884 414 HE1 TYR 56 HE1 TYR 56 0.285 -3.065 -10.431 415 HE2 TYR 56 HE2 TYR 56 -0.923 -3.184 -6.336 416 HH TYR 56 HH TYR 56 -0.652 -4.967 -9.225 417 H VAL 57 H VAL 57 1.280 3.417 -6.322 418 HA VAL 57 HA VAL 57 -1.462 2.752 -5.397 419 HB VAL 57 HB VAL 57 -0.791 3.485 -3.135 420 HG11 VAL 57 1HG1 VAL 57 1.028 1.302 -4.234 421 HG12 VAL 57 2HG1 VAL 57 -0.630 1.088 -3.669 422 HG13 VAL 57 3HG1 VAL 57 0.635 1.545 -2.527 423 HG21 VAL 57 3HG2 VAL 57 2.032 3.776 -4.252 424 HG22 VAL 57 1HG2 VAL 57 1.596 3.906 -2.543 425 HG23 VAL 57 2HG2 VAL 57 0.996 5.093 -3.702 426 H GLN 58 H GLN 58 -2.779 4.478 -4.693 427 HA GLN 58 HA GLN 58 -2.237 7.055 -6.052 428 HB2 GLN 58 1HB GLN 58 -4.111 5.766 -7.024 429 HB3 GLN 58 2HB GLN 58 -4.891 5.658 -5.447 430 HG2 GLN 58 1HG GLN 58 -5.094 8.179 -5.466 431 HG3 GLN 58 2HG GLN 58 -4.465 8.162 -7.114 432 HE21 GLN 58 2HE2 GLN 58 -7.054 9.100 -6.143 433 HE22 GLN 58 1HE2 GLN 58 -8.248 8.206 -7.011 434 H LEU 59 H LEU 59 -1.764 8.629 -4.635 435 HA LEU 59 HA LEU 59 -2.482 8.746 -1.886 436 HB2 LEU 59 1HB LEU 59 -1.752 11.037 -3.776 437 HB3 LEU 59 2HB LEU 59 -1.703 11.096 -2.015 438 HG LEU 59 HG LEU 59 0.091 9.327 -3.748 439 HD11 LEU 59 1HD1 LEU 59 1.916 10.871 -3.185 440 HD12 LEU 59 2HD1 LEU 59 0.784 11.925 -2.334 441 HD13 LEU 59 3HD1 LEU 59 0.635 11.690 -4.078 442 HD21 LEU 59 3HD2 LEU 59 1.370 8.915 -1.679 443 HD22 LEU 59 1HD2 LEU 59 -0.293 8.351 -1.532 444 HD23 LEU 59 2HD2 LEU 59 0.196 9.855 -0.753 445 H LEU 60 H LEU 60 -4.493 9.184 -1.074 446 HA LEU 60 HA LEU 60 -6.663 10.115 -2.741 447 HB2 LEU 60 1HB LEU 60 -6.573 9.545 0.247 448 HB3 LEU 60 2HB LEU 60 -8.015 10.053 -0.617 449 HG LEU 60 HG LEU 60 -7.632 7.935 -2.101 450 HD11 LEU 60 1HD1 LEU 60 -6.499 6.057 -1.026 451 HD12 LEU 60 2HD1 LEU 60 -5.959 7.111 0.282 452 HD13 LEU 60 3HD1 LEU 60 -5.378 7.375 -1.365 453 HD21 LEU 60 3HD2 LEU 60 -8.917 6.526 -0.574 454 HD22 LEU 60 1HD2 LEU 60 -9.513 8.187 -0.565 455 HD23 LEU 60 2HD2 LEU 60 -8.525 7.599 0.775 Start of MODEL 6 1 H1 MET 1 1H MET 1 -5.974 7.913 11.558 2 H2 MET 1 2H MET 1 -7.047 8.672 10.496 3 H3 MET 1 3H MET 1 -6.366 9.544 11.774 4 HA MET 1 HA MET 1 -4.892 8.385 9.483 5 HB2 MET 1 1HB MET 1 -5.460 11.316 10.136 6 HB3 MET 1 2HB MET 1 -4.540 10.724 8.759 7 HG2 MET 1 1HG MET 1 -6.549 9.680 7.845 8 HG3 MET 1 2HG MET 1 -7.480 10.208 9.247 9 HE1 MET 1 3HE MET 1 -8.922 12.483 6.406 10 HE2 MET 1 1HE MET 1 -9.312 11.354 7.703 11 HE3 MET 1 2HE MET 1 -8.438 10.791 6.276 12 H SER 2 H SER 2 -3.586 7.317 11.086 13 HA SER 2 HA SER 2 -2.067 8.799 13.054 14 HB2 SER 2 1HB SER 2 -0.926 6.506 13.320 15 HB3 SER 2 2HB SER 2 -2.669 6.531 13.600 16 HG SER 2 HG SER 2 -1.938 4.795 12.230 17 H GLY 3 H GLY 3 -1.172 6.847 10.201 18 HA2 GLY 3 1HA GLY 3 1.141 8.634 9.652 19 HA3 GLY 3 2HA GLY 3 0.997 6.953 9.141 20 H ALA 4 H ALA 4 1.537 7.996 7.019 21 HA ALA 4 HA ALA 4 -0.523 9.407 5.592 22 HB1 ALA 4 3HB ALA 4 0.879 9.020 3.600 23 HB2 ALA 4 1HB ALA 4 1.888 7.897 4.522 24 HB3 ALA 4 2HB ALA 4 1.856 9.608 4.949 25 H ARG 5 H ARG 5 -1.558 8.448 3.610 26 HA ARG 5 HA ARG 5 -2.005 5.541 3.660 27 HB2 ARG 5 1HB ARG 5 -4.464 5.826 3.464 28 HB3 ARG 5 2HB ARG 5 -3.865 6.418 5.010 29 HG2 ARG 5 1HG ARG 5 -4.104 8.715 4.309 30 HG3 ARG 5 2HG ARG 5 -4.450 8.232 2.648 31 HD2 ARG 5 1HD ARG 5 -6.555 7.185 3.378 32 HD3 ARG 5 2HD ARG 5 -6.214 7.645 5.048 33 HE ARG 5 HE ARG 5 -6.227 10.022 4.129 34 HH11 ARG 5 1HH1 ARG 5 -8.290 7.498 2.794 35 HH12 ARG 5 2HH1 ARG 5 -9.474 8.621 2.212 36 HH21 ARG 5 1HH2 ARG 5 -7.807 11.457 3.384 37 HH22 ARG 5 2HH2 ARG 5 -9.198 10.853 2.549 38 H CYS 6 H CYS 6 -2.625 4.685 1.688 39 HA CYS 6 HA CYS 6 -3.028 6.431 -0.627 40 HB2 CYS 6 1HB CYS 6 -0.908 4.243 -0.582 41 HB3 CYS 6 2HB CYS 6 -1.315 5.279 -1.950 42 HG CYS 6 HG CYS 6 1.077 6.207 -1.054 43 H ARG 7 H ARG 7 -4.172 5.445 -2.272 44 HA ARG 7 HA ARG 7 -5.575 2.954 -1.521 45 HB2 ARG 7 1HB ARG 7 -6.923 5.065 -1.638 46 HB3 ARG 7 2HB ARG 7 -6.508 5.226 -3.333 47 HG2 ARG 7 1HG ARG 7 -7.966 2.761 -2.344 48 HG3 ARG 7 2HG ARG 7 -8.842 4.261 -2.644 49 HD2 ARG 7 1HD ARG 7 -7.259 2.635 -4.664 50 HD3 ARG 7 2HD ARG 7 -9.010 2.861 -4.615 51 HE ARG 7 HE ARG 7 -8.044 5.389 -4.818 52 HH11 ARG 7 1HH1 ARG 7 -7.609 2.515 -6.796 53 HH12 ARG 7 2HH1 ARG 7 -7.302 3.428 -8.237 54 HH21 ARG 7 1HH2 ARG 7 -7.615 6.545 -6.710 55 HH22 ARG 7 2HH2 ARG 7 -7.302 5.700 -8.190 56 H THR 8 H THR 8 -5.669 1.307 -2.915 57 HA THR 8 HA THR 8 -3.545 1.024 -4.815 58 HB THR 8 HB THR 8 -4.436 -1.342 -4.956 59 HG1 THR 8 HG1 THR 8 -6.128 -1.722 -3.257 60 HG21 THR 8 3HG2 THR 8 -3.959 -1.941 -2.601 61 HG22 THR 8 1HG2 THR 8 -4.096 -0.240 -2.141 62 HG23 THR 8 2HG2 THR 8 -2.792 -0.766 -3.206 63 H LEU 9 H LEU 9 -3.646 1.275 -6.952 64 HA LEU 9 HA LEU 9 -5.965 2.081 -8.381 65 HB2 LEU 9 1HB LEU 9 -3.233 1.139 -9.327 66 HB3 LEU 9 2HB LEU 9 -4.452 1.823 -10.395 67 HG LEU 9 HG LEU 9 -3.177 3.308 -8.059 68 HD11 LEU 9 1HD1 LEU 9 -1.510 2.881 -9.786 69 HD12 LEU 9 2HD1 LEU 9 -1.932 4.590 -9.733 70 HD13 LEU 9 3HD1 LEU 9 -2.574 3.564 -11.022 71 HD21 LEU 9 3HD2 LEU 9 -4.247 5.301 -9.048 72 HD22 LEU 9 1HD2 LEU 9 -5.428 4.102 -8.530 73 HD23 LEU 9 2HD2 LEU 9 -5.046 4.282 -10.244 74 H TYR 10 H TYR 10 -4.002 -0.915 -8.522 75 HA TYR 10 HA TYR 10 -6.342 -2.406 -9.575 76 HB2 TYR 10 1HB TYR 10 -3.461 -2.536 -10.597 77 HB3 TYR 10 2HB TYR 10 -4.732 -3.654 -11.080 78 HD1 TYR 10 HD2 TYR 10 -6.908 -2.558 -12.091 79 HD2 TYR 10 HD1 TYR 10 -3.123 -0.580 -11.903 80 HE1 TYR 10 HE2 TYR 10 -7.638 -1.005 -13.849 81 HE2 TYR 10 HE1 TYR 10 -3.853 0.981 -13.659 82 HH TYR 10 HH TYR 10 -7.113 1.249 -14.655 83 HA PRO 11 HA PRO 11 -5.413 -5.427 -6.395 84 HB2 PRO 11 1HB PRO 11 -6.098 -7.634 -8.296 85 HB3 PRO 11 2HB PRO 11 -6.885 -7.170 -6.782 86 HG2 PRO 11 1HG PRO 11 -8.048 -6.695 -9.158 87 HG3 PRO 11 2HG PRO 11 -8.206 -5.554 -7.806 88 HD2 PRO 11 1HD PRO 11 -6.379 -5.398 -10.208 89 HD3 PRO 11 2HD PRO 11 -7.376 -4.124 -9.464 90 H PHE 12 H PHE 12 -3.598 -6.420 -5.704 91 HA PHE 12 HA PHE 12 -1.682 -7.550 -7.674 92 HB2 PHE 12 1HB PHE 12 -0.878 -5.615 -6.230 93 HB3 PHE 12 2HB PHE 12 -1.103 -6.626 -4.811 94 HD1 PHE 12 HD2 PHE 12 0.950 -6.042 -7.823 95 HD2 PHE 12 HD1 PHE 12 0.488 -8.434 -4.312 96 HE1 PHE 12 HE2 PHE 12 3.236 -6.897 -8.100 97 HE2 PHE 12 HE1 PHE 12 2.777 -9.283 -4.590 98 HZ PHE 12 HZ PHE 12 4.155 -8.517 -6.486 99 H SER 13 H SER 13 -2.465 -9.603 -7.811 100 HA SER 13 HA SER 13 -1.854 -11.326 -5.518 101 HB2 SER 13 1HB SER 13 -4.358 -11.586 -7.242 102 HB3 SER 13 2HB SER 13 -3.772 -12.851 -6.157 103 HG SER 13 HG SER 13 -4.585 -10.227 -5.429 104 H GLY 14 H GLY 14 0.094 -11.082 -6.831 105 HA2 GLY 14 1HA GLY 14 0.225 -12.899 -9.159 106 HA3 GLY 14 2HA GLY 14 1.406 -11.668 -8.741 107 H GLU 15 H GLU 15 1.859 -12.066 -6.116 108 HA GLU 15 HA GLU 15 3.120 -13.197 -4.616 109 HB2 GLU 15 1HB GLU 15 1.517 -15.598 -5.602 110 HB3 GLU 15 2HB GLU 15 2.446 -15.546 -4.105 111 HG2 GLU 15 1HG GLU 15 0.966 -13.731 -3.275 112 HG3 GLU 15 2HG GLU 15 0.017 -13.845 -4.757 113 H ARG 16 H ARG 16 4.247 -12.837 -7.248 114 HA ARG 16 HA ARG 16 5.561 -15.100 -8.292 115 HB2 ARG 16 1HB ARG 16 5.213 -12.792 -9.394 116 HB3 ARG 16 2HB ARG 16 6.592 -12.237 -8.460 117 HG2 ARG 16 1HG ARG 16 7.400 -12.749 -10.641 118 HG3 ARG 16 2HG ARG 16 7.967 -14.047 -9.586 119 HD2 ARG 16 1HD ARG 16 6.080 -15.466 -10.367 120 HD3 ARG 16 2HD ARG 16 5.576 -14.172 -11.461 121 HE ARG 16 HE ARG 16 8.312 -14.988 -11.826 122 HH11 ARG 16 1HH1 ARG 16 5.011 -15.730 -12.775 123 HH12 ARG 16 2HH1 ARG 16 5.499 -16.531 -14.229 124 HH21 ARG 16 1HH2 ARG 16 8.917 -16.053 -13.730 125 HH22 ARG 16 2HH2 ARG 16 7.689 -16.711 -14.765 126 H HIS 17 H HIS 17 6.451 -12.765 -5.826 127 HA HIS 17 HA HIS 17 8.790 -14.368 -4.979 128 HB2 HIS 17 1HB HIS 17 8.456 -11.329 -4.882 129 HB3 HIS 17 2HB HIS 17 9.790 -12.209 -4.134 130 HD2 HIS 17 HD2 HIS 17 8.574 -11.116 -7.690 131 HE1 HIS 17 HE1 HIS 17 12.478 -12.723 -7.979 132 HE2 HIS 17 HE2 HIS 17 10.550 -11.700 -9.262 133 H GLY 18 H GLY 18 9.116 -14.520 -2.737 134 HA2 GLY 18 1HA GLY 18 6.850 -14.645 -1.041 135 HA3 GLY 18 2HA GLY 18 8.531 -14.792 -0.552 136 H GLN 19 H GLN 19 9.478 -12.269 -1.373 137 HA GLN 19 HA GLN 19 8.437 -10.545 0.725 138 HB2 GLN 19 1HB GLN 19 10.727 -10.099 -1.249 139 HB3 GLN 19 2HB GLN 19 10.271 -8.960 0.007 140 HG2 GLN 19 1HG GLN 19 12.154 -10.133 0.831 141 HG3 GLN 19 2HG GLN 19 10.767 -10.786 1.699 142 HE21 GLN 19 2HE2 GLN 19 10.124 -12.932 1.301 143 HE22 GLN 19 1HE2 GLN 19 11.140 -14.058 0.473 144 H GLY 20 H GLY 20 6.345 -10.062 0.000 145 HA2 GLY 20 1HA GLY 20 6.041 -7.730 -1.564 146 HA3 GLY 20 2HA GLY 20 5.577 -9.135 -2.526 147 H LEU 21 H LEU 21 4.119 -6.802 -1.111 148 HA LEU 21 HA LEU 21 2.229 -8.210 0.620 149 HB2 LEU 21 1HB LEU 21 2.978 -5.995 1.364 150 HB3 LEU 21 2HB LEU 21 2.479 -5.278 -0.158 151 HG LEU 21 HG LEU 21 0.094 -5.755 0.401 152 HD11 LEU 21 1HD1 LEU 21 1.139 -6.717 3.076 153 HD12 LEU 21 2HD1 LEU 21 0.397 -7.716 1.822 154 HD13 LEU 21 3HD1 LEU 21 -0.554 -6.480 2.639 155 HD21 LEU 21 3HD2 LEU 21 1.032 -3.554 0.936 156 HD22 LEU 21 1HD2 LEU 21 1.544 -4.135 2.524 157 HD23 LEU 21 2HD2 LEU 21 -0.175 -4.027 2.129 158 H ARG 22 H ARG 22 0.503 -9.163 -0.262 159 HA ARG 22 HA ARG 22 -0.496 -8.351 -2.896 160 HB2 ARG 22 1HB ARG 22 -1.818 -10.393 -2.866 161 HB3 ARG 22 2HB ARG 22 -0.149 -10.768 -2.459 162 HG2 ARG 22 1HG ARG 22 -0.743 -10.994 -0.090 163 HG3 ARG 22 2HG ARG 22 -2.408 -10.517 -0.443 164 HD2 ARG 22 1HD ARG 22 -0.997 -13.017 -1.445 165 HD3 ARG 22 2HD ARG 22 -2.261 -12.942 -0.210 166 HE ARG 22 HE ARG 22 -3.244 -11.768 -2.572 167 HH11 ARG 22 1HH1 ARG 22 -2.371 -14.942 -1.380 168 HH12 ARG 22 2HH1 ARG 22 -3.476 -15.765 -2.431 169 HH21 ARG 22 1HH2 ARG 22 -4.678 -12.843 -3.943 170 HH22 ARG 22 2HH2 ARG 22 -4.787 -14.576 -3.889 171 H PHE 23 H PHE 23 -2.639 -7.705 -3.251 172 HA PHE 23 HA PHE 23 -4.519 -7.205 -1.140 173 HB2 PHE 23 1HB PHE 23 -4.536 -4.662 -1.581 174 HB3 PHE 23 2HB PHE 23 -3.201 -5.282 -0.622 175 HD1 PHE 23 HD2 PHE 23 -4.040 -4.359 -4.187 176 HD2 PHE 23 HD1 PHE 23 -0.994 -4.657 -1.192 177 HE1 PHE 23 HE2 PHE 23 -2.440 -3.240 -5.689 178 HE2 PHE 23 HE1 PHE 23 0.597 -3.540 -2.704 179 HZ PHE 23 HZ PHE 23 -0.125 -2.825 -4.951 180 H ALA 24 H ALA 24 -6.401 -5.885 -2.034 181 HA ALA 24 HA ALA 24 -6.966 -6.507 -4.878 182 HB1 ALA 24 3HB ALA 24 -8.892 -5.814 -2.615 183 HB2 ALA 24 1HB ALA 24 -8.607 -7.429 -3.269 184 HB3 ALA 24 2HB ALA 24 -9.352 -6.187 -4.278 185 H ALA 25 H ALA 25 -8.282 -4.732 -6.021 186 HA ALA 25 HA ALA 25 -7.128 -2.113 -5.728 187 HB1 ALA 25 3HB ALA 25 -7.880 -2.912 -7.935 188 HB2 ALA 25 1HB ALA 25 -8.728 -1.428 -7.498 189 HB3 ALA 25 2HB ALA 25 -9.546 -2.988 -7.362 190 H GLY 26 H GLY 26 -8.101 -0.227 -4.956 191 HA2 GLY 26 1HA GLY 26 -9.723 1.122 -3.966 192 HA3 GLY 26 2HA GLY 26 -10.740 -0.278 -3.680 193 H GLU 27 H GLU 27 -7.908 -1.336 -2.585 194 HA GLU 27 HA GLU 27 -8.599 -0.962 0.187 195 HB2 GLU 27 1HB GLU 27 -6.169 -2.307 -1.089 196 HB3 GLU 27 2HB GLU 27 -6.606 -2.402 0.616 197 HG2 GLU 27 1HG GLU 27 -8.274 -3.463 -1.689 198 HG3 GLU 27 2HG GLU 27 -7.229 -4.428 -0.650 199 H LEU 28 H LEU 28 -7.730 0.414 1.637 200 HA LEU 28 HA LEU 28 -5.589 2.266 0.817 201 HB2 LEU 28 1HB LEU 28 -7.540 2.366 3.163 202 HB3 LEU 28 2HB LEU 28 -6.200 3.480 2.963 203 HG LEU 28 HG LEU 28 -7.245 4.227 0.779 204 HD11 LEU 28 1HD1 LEU 28 -9.623 3.814 0.383 205 HD12 LEU 28 2HD1 LEU 28 -9.660 2.666 1.724 206 HD13 LEU 28 3HD1 LEU 28 -8.686 2.323 0.293 207 HD21 LEU 28 3HD2 LEU 28 -8.903 5.685 1.862 208 HD22 LEU 28 1HD2 LEU 28 -7.418 5.563 2.805 209 HD23 LEU 28 2HD2 LEU 28 -8.857 4.670 3.305 210 H ILE 29 H ILE 29 -3.574 1.590 1.327 211 HA ILE 29 HA ILE 29 -3.081 0.083 3.829 212 HB ILE 29 HB ILE 29 -1.205 0.468 1.431 213 HG12 ILE 29 1HG1 ILE 29 -1.376 -2.094 1.284 214 HG13 ILE 29 2HG1 ILE 29 -2.704 -1.998 2.429 215 HG21 ILE 29 1HG2 ILE 29 0.092 0.422 3.513 216 HG22 ILE 29 2HG2 ILE 29 0.347 -1.080 2.623 217 HG23 ILE 29 3HG2 ILE 29 -0.727 -1.057 4.024 218 HD11 ILE 29 3HD1 ILE 29 -3.999 -0.719 0.803 219 HD12 ILE 29 1HD1 ILE 29 -3.484 -2.280 0.167 220 HD13 ILE 29 2HD1 ILE 29 -2.653 -0.807 -0.336 221 H THR 30 H THR 30 -2.292 1.182 5.500 222 HA THR 30 HA THR 30 -1.558 3.950 5.391 223 HB THR 30 HB THR 30 -1.426 1.943 7.691 224 HG1 THR 30 HG1 THR 30 -3.434 2.748 8.231 225 HG21 THR 30 3HG2 THR 30 0.027 3.886 8.168 226 HG22 THR 30 1HG2 THR 30 -1.409 3.914 9.195 227 HG23 THR 30 2HG2 THR 30 -1.300 4.987 7.796 228 H LEU 31 H LEU 31 0.406 4.747 5.034 229 HA LEU 31 HA LEU 31 2.787 3.158 4.867 230 HB2 LEU 31 1HB LEU 31 2.410 6.182 4.749 231 HB3 LEU 31 2HB LEU 31 3.940 5.362 4.486 232 HG LEU 31 HG LEU 31 2.836 4.171 2.511 233 HD11 LEU 31 1HD1 LEU 31 0.856 5.200 1.511 234 HD12 LEU 31 2HD1 LEU 31 0.690 6.267 2.905 235 HD13 LEU 31 3HD1 LEU 31 0.494 4.523 3.098 236 HD21 LEU 31 3HD2 LEU 31 4.419 6.021 2.193 237 HD22 LEU 31 1HD2 LEU 31 3.101 7.189 2.329 238 HD23 LEU 31 2HD2 LEU 31 3.147 6.057 0.974 239 H LEU 32 H LEU 32 4.461 3.032 6.293 240 HA LEU 32 HA LEU 32 3.995 3.808 9.052 241 HB2 LEU 32 1HB LEU 32 6.322 2.349 7.746 242 HB3 LEU 32 2HB LEU 32 6.124 2.574 9.480 243 HG LEU 32 HG LEU 32 4.335 0.919 7.648 244 HD11 LEU 32 1HD1 LEU 32 6.177 0.039 9.891 245 HD12 LEU 32 2HD1 LEU 32 6.453 -0.178 8.160 246 HD13 LEU 32 3HD1 LEU 32 5.109 -1.003 8.943 247 HD21 LEU 32 3HD2 LEU 32 3.074 0.277 9.665 248 HD22 LEU 32 1HD2 LEU 32 2.948 2.004 9.335 249 HD23 LEU 32 2HD2 LEU 32 4.010 1.430 10.623 250 H GLN 33 H GLN 33 6.398 4.484 6.504 251 HA GLN 33 HA GLN 33 6.816 7.195 7.513 252 HB2 GLN 33 1HB GLN 33 9.119 5.228 7.099 253 HB3 GLN 33 2HB GLN 33 9.332 6.967 7.288 254 HG2 GLN 33 1HG GLN 33 8.409 6.837 9.565 255 HG3 GLN 33 2HG GLN 33 8.155 5.104 9.371 256 HE21 GLN 33 2HE2 GLN 33 9.451 4.619 11.134 257 HE22 GLN 33 1HE2 GLN 33 11.171 4.775 11.109 258 H VAL 34 H VAL 34 7.735 8.606 5.883 259 HA VAL 34 HA VAL 34 7.673 7.556 3.110 260 HB VAL 34 HB VAL 34 7.149 9.938 2.376 261 HG11 VAL 34 1HG1 VAL 34 4.732 9.811 2.899 262 HG12 VAL 34 2HG1 VAL 34 5.068 8.603 4.143 263 HG13 VAL 34 3HG1 VAL 34 5.391 8.235 2.448 264 HG21 VAL 34 3HG2 VAL 34 7.849 11.190 4.382 265 HG22 VAL 34 1HG2 VAL 34 6.572 10.422 5.328 266 HG23 VAL 34 2HG2 VAL 34 6.155 11.522 4.010 267 HA PRO 35 HA PRO 35 12.099 8.821 3.761 268 HB2 PRO 35 1HB PRO 35 13.247 6.799 2.331 269 HB3 PRO 35 2HB PRO 35 12.705 6.576 4.001 270 HG2 PRO 35 1HG PRO 35 11.307 5.823 1.438 271 HG3 PRO 35 2HG PRO 35 11.494 4.870 2.926 272 HD2 PRO 35 1HD PRO 35 9.208 6.261 2.335 273 HD3 PRO 35 2HD PRO 35 9.748 5.975 4.004 274 H ASP 36 H ASP 36 11.427 10.670 2.521 275 HA ASP 36 HA ASP 36 11.408 12.161 0.845 276 HB2 ASP 36 1HB ASP 36 13.522 10.339 -0.371 277 HB3 ASP 36 2HB ASP 36 13.132 11.939 -0.986 278 H GLY 37 H GLY 37 12.012 9.448 -1.373 279 HA2 GLY 37 1HA GLY 37 9.303 9.225 -2.288 280 HA3 GLY 37 2HA GLY 37 10.273 10.233 -3.359 281 H GLY 38 H GLY 38 9.593 8.433 -4.850 282 HA2 GLY 38 1HA GLY 38 10.402 6.784 -6.262 283 HA3 GLY 38 2HA GLY 38 11.782 6.554 -5.203 284 H TRP 39 H TRP 39 11.311 5.447 -3.106 285 HA TRP 39 HA TRP 39 9.016 3.567 -3.192 286 HB2 TRP 39 1HB TRP 39 11.881 3.071 -2.278 287 HB3 TRP 39 2HB TRP 39 10.551 2.028 -1.791 288 HD1 TRP 39 HD1 TRP 39 12.371 3.134 -5.063 289 HE1 TRP 39 HE1 TRP 39 12.180 1.210 -6.756 290 HE3 TRP 39 HE3 TRP 39 9.359 -0.025 -2.380 291 HZ2 TRP 39 HZ2 TRP 39 10.941 -1.316 -6.939 292 HZ3 TRP 39 HZ3 TRP 39 8.725 -2.183 -3.384 293 HH2 TRP 39 HH2 TRP 39 9.500 -2.816 -5.621 294 H TRP 40 H TRP 40 7.793 3.565 -1.385 295 HA TRP 40 HA TRP 40 8.797 4.799 1.111 296 HB2 TRP 40 1HB TRP 40 5.901 4.799 0.140 297 HB3 TRP 40 2HB TRP 40 6.528 5.601 1.576 298 HD1 TRP 40 HD1 TRP 40 7.854 7.941 1.182 299 HE1 TRP 40 HE1 TRP 40 7.803 9.626 -0.756 300 HE3 TRP 40 HE3 TRP 40 5.785 4.968 -2.444 301 HZ2 TRP 40 HZ2 TRP 40 7.013 9.693 -3.461 302 HZ3 TRP 40 HZ3 TRP 40 5.425 5.917 -4.682 303 HH2 TRP 40 HH2 TRP 40 6.029 8.235 -5.183 304 H GLU 41 H GLU 41 7.768 3.789 3.057 305 HA GLU 41 HA GLU 41 7.108 0.931 2.582 306 HB2 GLU 41 1HB GLU 41 8.427 2.217 5.022 307 HB3 GLU 41 2HB GLU 41 7.860 0.552 4.977 308 HG2 GLU 41 1HG GLU 41 10.168 0.409 4.622 309 HG3 GLU 41 2HG GLU 41 9.452 0.177 3.033 310 H GLY 42 H GLY 42 5.498 -0.017 3.731 311 HA2 GLY 42 1HA GLY 42 3.778 1.449 5.580 312 HA3 GLY 42 2HA GLY 42 3.062 0.945 4.049 313 H GLU 43 H GLU 43 1.883 -0.017 6.182 314 HA GLU 43 HA GLU 43 2.546 -2.877 6.088 315 HB2 GLU 43 1HB GLU 43 3.510 -1.942 8.197 316 HB3 GLU 43 2HB GLU 43 1.914 -1.364 8.664 317 HG2 GLU 43 1HG GLU 43 1.098 -3.691 8.758 318 HG3 GLU 43 2HG GLU 43 2.685 -4.272 8.256 319 H LYS 44 H LYS 44 0.809 -4.190 6.217 320 HA LYS 44 HA LYS 44 -1.825 -2.968 5.757 321 HB2 LYS 44 1HB LYS 44 -0.822 -4.387 3.972 322 HB3 LYS 44 2HB LYS 44 -0.775 -5.749 5.078 323 HG2 LYS 44 1HG LYS 44 -2.628 -5.927 3.492 324 HG3 LYS 44 2HG LYS 44 -3.220 -5.810 5.154 325 HD2 LYS 44 1HD LYS 44 -3.763 -3.424 4.798 326 HD3 LYS 44 2HD LYS 44 -3.121 -3.511 3.155 327 HE2 LYS 44 1HE LYS 44 -5.593 -3.637 3.184 328 HE3 LYS 44 2HE LYS 44 -4.876 -5.107 2.527 329 HZ1 LYS 44 3HZ LYS 44 -6.683 -5.584 4.062 330 HZ2 LYS 44 1HZ LYS 44 -5.881 -4.785 5.311 331 HZ3 LYS 44 2HZ LYS 44 -5.228 -6.202 4.651 332 H GLU 45 H GLU 45 -3.676 -3.942 6.654 333 HA GLU 45 HA GLU 45 -3.838 -4.377 9.370 334 HB2 GLU 45 1HB GLU 45 -5.713 -5.460 7.239 335 HB3 GLU 45 2HB GLU 45 -6.135 -5.128 8.918 336 HG2 GLU 45 1HG GLU 45 -5.897 -2.743 8.563 337 HG3 GLU 45 2HG GLU 45 -5.256 -3.003 6.937 338 H ASP 46 H ASP 46 -3.133 -6.714 6.866 339 HA ASP 46 HA ASP 46 -3.810 -9.146 8.150 340 HB2 ASP 46 1HB ASP 46 -1.825 -8.532 5.922 341 HB3 ASP 46 2HB ASP 46 -2.235 -10.168 6.429 342 H GLY 47 H GLY 47 -1.281 -6.970 8.853 343 HA2 GLY 47 1HA GLY 47 0.410 -7.189 10.460 344 HA3 GLY 47 2HA GLY 47 0.203 -8.933 10.453 345 H LEU 48 H LEU 48 0.255 -8.066 7.300 346 HA LEU 48 HA LEU 48 3.042 -8.789 6.884 347 HB2 LEU 48 1HB LEU 48 0.842 -8.104 4.883 348 HB3 LEU 48 2HB LEU 48 2.432 -8.734 4.476 349 HG LEU 48 HG LEU 48 0.246 -10.216 5.992 350 HD11 LEU 48 1HD1 LEU 48 1.343 -10.665 3.199 351 HD12 LEU 48 2HD1 LEU 48 -0.241 -10.004 3.614 352 HD13 LEU 48 3HD1 LEU 48 0.148 -11.673 4.023 353 HD21 LEU 48 3HD2 LEU 48 2.421 -10.892 6.860 354 HD22 LEU 48 1HD2 LEU 48 3.018 -11.194 5.226 355 HD23 LEU 48 2HD2 LEU 48 1.722 -12.191 5.897 356 H ARG 49 H ARG 49 4.589 -7.316 6.651 357 HA ARG 49 HA ARG 49 3.935 -4.468 6.196 358 HB2 ARG 49 1HB ARG 49 5.163 -5.050 8.314 359 HB3 ARG 49 2HB ARG 49 6.469 -5.733 7.350 360 HG2 ARG 49 1HG ARG 49 6.794 -3.444 6.320 361 HG3 ARG 49 2HG ARG 49 5.615 -2.819 7.479 362 HD2 ARG 49 1HD ARG 49 7.915 -2.435 8.262 363 HD3 ARG 49 2HD ARG 49 7.063 -3.543 9.338 364 HE ARG 49 HE ARG 49 8.330 -5.353 8.459 365 HH11 ARG 49 1HH1 ARG 49 9.501 -2.216 7.365 366 HH12 ARG 49 2HH1 ARG 49 11.036 -2.836 6.859 367 HH21 ARG 49 1HH2 ARG 49 10.333 -6.152 7.759 368 HH22 ARG 49 2HH2 ARG 49 11.503 -5.077 7.064 369 H GLY 50 H GLY 50 4.851 -3.454 4.480 370 HA2 GLY 50 1HA GLY 50 6.906 -3.762 2.851 371 HA3 GLY 50 2HA GLY 50 5.893 -5.102 2.302 372 H TRP 51 H TRP 51 6.594 -2.826 0.721 373 HA TRP 51 HA TRP 51 3.976 -1.868 0.021 374 HB2 TRP 51 1HB TRP 51 5.208 -0.345 1.945 375 HB3 TRP 51 2HB TRP 51 5.837 0.441 0.504 376 HD1 TRP 51 HD1 TRP 51 2.359 -0.686 1.833 377 HE1 TRP 51 HE1 TRP 51 0.646 1.121 1.215 378 HE3 TRP 51 HE3 TRP 51 5.411 2.514 -0.712 379 HZ2 TRP 51 HZ2 TRP 51 0.577 3.540 -0.152 380 HZ3 TRP 51 HZ3 TRP 51 4.425 4.559 -1.638 381 HH2 TRP 51 HH2 TRP 51 2.062 5.070 -1.372 382 H PHE 52 H PHE 52 4.313 -0.040 -1.724 383 HA PHE 52 HA PHE 52 6.199 -1.004 -3.766 384 HB2 PHE 52 1HB PHE 52 3.148 -1.112 -4.029 385 HB3 PHE 52 2HB PHE 52 4.245 -1.257 -5.394 386 HD1 PHE 52 HD1 PHE 52 5.828 -3.231 -5.520 387 HD2 PHE 52 HD2 PHE 52 2.677 -3.013 -2.637 388 HE1 PHE 52 HE1 PHE 52 6.003 -5.656 -5.135 389 HE2 PHE 52 HE2 PHE 52 2.867 -5.426 -2.262 390 HZ PHE 52 HZ PHE 52 4.520 -6.755 -3.503 391 HA PRO 53 HA PRO 53 6.327 3.303 -4.922 392 HB2 PRO 53 1HB PRO 53 6.580 3.192 -7.678 393 HB3 PRO 53 2HB PRO 53 7.899 2.829 -6.559 394 HG2 PRO 53 1HG PRO 53 6.008 0.919 -7.939 395 HG3 PRO 53 2HG PRO 53 7.779 0.828 -7.801 396 HD2 PRO 53 1HD PRO 53 6.224 -0.623 -6.175 397 HD3 PRO 53 2HD PRO 53 7.695 0.153 -5.541 398 H ALA 54 H ALA 54 5.323 4.952 -6.373 399 HA ALA 54 HA ALA 54 2.554 5.119 -6.053 400 HB1 ALA 54 3HB ALA 54 4.048 7.085 -6.200 401 HB2 ALA 54 1HB ALA 54 2.695 7.221 -7.326 402 HB3 ALA 54 2HB ALA 54 4.297 6.769 -7.917 403 H SER 55 H SER 55 4.289 3.563 -8.570 404 HA SER 55 HA SER 55 2.518 3.671 -10.742 405 HB2 SER 55 1HB SER 55 4.836 2.798 -10.875 406 HB3 SER 55 2HB SER 55 4.364 1.396 -9.914 407 HG SER 55 HG SER 55 3.308 2.111 -12.455 408 H TYR 56 H TYR 56 2.453 1.698 -7.827 409 HA TYR 56 HA TYR 56 0.240 0.017 -8.774 410 HB2 TYR 56 1HB TYR 56 1.911 -0.008 -6.226 411 HB3 TYR 56 2HB TYR 56 0.545 -1.086 -6.488 412 HD1 TYR 56 HD2 TYR 56 3.994 -0.275 -7.609 413 HD2 TYR 56 HD1 TYR 56 0.726 -3.015 -7.943 414 HE1 TYR 56 HE2 TYR 56 5.459 -1.891 -8.749 415 HE2 TYR 56 HE1 TYR 56 2.188 -4.625 -9.080 416 HH TYR 56 HH TYR 56 5.533 -4.386 -9.092 417 H VAL 57 H VAL 57 0.830 2.762 -6.667 418 HA VAL 57 HA VAL 57 -1.945 2.730 -5.653 419 HB VAL 57 HB VAL 57 -1.020 3.272 -3.321 420 HG11 VAL 57 1HG1 VAL 57 -0.393 0.487 -4.374 421 HG12 VAL 57 2HG1 VAL 57 -1.962 1.046 -3.795 422 HG13 VAL 57 3HG1 VAL 57 -0.605 0.925 -2.677 423 HG21 VAL 57 3HG2 VAL 57 1.303 2.525 -2.803 424 HG22 VAL 57 1HG2 VAL 57 1.284 3.871 -3.947 425 HG23 VAL 57 2HG2 VAL 57 1.581 2.228 -4.520 426 H GLN 58 H GLN 58 -2.818 4.760 -5.427 427 HA GLN 58 HA GLN 58 -1.132 7.113 -5.941 428 HB2 GLN 58 1HB GLN 58 -4.117 6.624 -6.117 429 HB3 GLN 58 2HB GLN 58 -3.497 8.269 -6.023 430 HG2 GLN 58 1HG GLN 58 -2.813 6.235 -8.162 431 HG3 GLN 58 2HG GLN 58 -3.910 7.602 -8.331 432 HE21 GLN 58 2HE2 GLN 58 -3.041 9.719 -8.404 433 HE22 GLN 58 1HE2 GLN 58 -1.381 9.994 -8.786 434 H LEU 59 H LEU 59 -0.679 8.572 -4.469 435 HA LEU 59 HA LEU 59 -1.135 7.909 -1.695 436 HB2 LEU 59 1HB LEU 59 0.514 10.163 -2.925 437 HB3 LEU 59 2HB LEU 59 0.475 9.748 -1.222 438 HG LEU 59 HG LEU 59 1.322 7.387 -2.025 439 HD11 LEU 59 1HD1 LEU 59 2.203 9.025 -4.408 440 HD12 LEU 59 2HD1 LEU 59 1.036 7.698 -4.420 441 HD13 LEU 59 3HD1 LEU 59 2.722 7.381 -4.019 442 HD21 LEU 59 3HD2 LEU 59 3.185 9.777 -2.007 443 HD22 LEU 59 1HD2 LEU 59 3.668 8.086 -1.818 444 HD23 LEU 59 2HD2 LEU 59 2.644 8.848 -0.605 445 H LEU 60 H LEU 60 -2.710 8.665 -0.512 446 HA LEU 60 HA LEU 60 -4.460 10.791 -1.463 447 HB2 LEU 60 1HB LEU 60 -4.713 8.940 0.948 448 HB3 LEU 60 2HB LEU 60 -5.957 10.038 0.368 449 HG LEU 60 HG LEU 60 -4.894 7.603 -1.126 450 HD11 LEU 60 1HD1 LEU 60 -7.119 6.633 -0.756 451 HD12 LEU 60 2HD1 LEU 60 -7.587 8.035 0.211 452 HD13 LEU 60 3HD1 LEU 60 -6.298 6.965 0.769 453 HD21 LEU 60 3HD2 LEU 60 -6.686 8.033 -2.766 454 HD22 LEU 60 1HD2 LEU 60 -5.521 9.356 -2.708 455 HD23 LEU 60 2HD2 LEU 60 -7.095 9.535 -1.932 Start of MODEL 7 1 H1 MET 1 1H MET 1 -2.003 5.423 12.030 2 H2 MET 1 2H MET 1 -2.497 4.597 13.419 3 H3 MET 1 3H MET 1 -1.740 6.098 13.556 4 HA MET 1 HA MET 1 -4.368 5.604 12.292 5 HB2 MET 1 1HB MET 1 -4.282 5.342 14.820 6 HB3 MET 1 2HB MET 1 -3.746 7.011 14.936 7 HG2 MET 1 1HG MET 1 -6.409 6.146 13.765 8 HG3 MET 1 2HG MET 1 -6.165 6.678 15.427 9 HE1 MET 1 3HE MET 1 -8.365 7.986 13.512 10 HE2 MET 1 1HE MET 1 -8.116 9.705 13.820 11 HE3 MET 1 2HE MET 1 -8.084 8.554 15.156 12 H SER 2 H SER 2 -4.517 6.980 10.645 13 HA SER 2 HA SER 2 -4.594 8.804 9.351 14 HB2 SER 2 1HB SER 2 -5.634 9.905 11.361 15 HB3 SER 2 2HB SER 2 -4.036 10.472 11.841 16 HG SER 2 HG SER 2 -5.482 11.135 9.491 17 H GLY 3 H GLY 3 -3.257 10.742 8.541 18 HA2 GLY 3 1HA GLY 3 -1.054 11.769 8.368 19 HA3 GLY 3 2HA GLY 3 -0.335 10.223 8.811 20 H ALA 4 H ALA 4 0.908 9.948 6.974 21 HA ALA 4 HA ALA 4 -0.038 10.324 4.305 22 HB1 ALA 4 3HB ALA 4 2.380 8.783 5.309 23 HB2 ALA 4 1HB ALA 4 2.346 10.493 4.872 24 HB3 ALA 4 2HB ALA 4 2.088 9.261 3.634 25 H ARG 5 H ARG 5 -1.668 9.121 3.583 26 HA ARG 5 HA ARG 5 -1.521 6.178 3.646 27 HB2 ARG 5 1HB ARG 5 -3.112 7.052 5.444 28 HB3 ARG 5 2HB ARG 5 -4.086 7.772 4.166 29 HG2 ARG 5 1HG ARG 5 -4.598 5.553 3.255 30 HG3 ARG 5 2HG ARG 5 -3.510 4.797 4.422 31 HD2 ARG 5 1HD ARG 5 -5.003 5.773 6.256 32 HD3 ARG 5 2HD ARG 5 -6.143 6.193 4.970 33 HE ARG 5 HE ARG 5 -5.377 3.428 4.920 34 HH11 ARG 5 1HH1 ARG 5 -7.603 5.666 6.484 35 HH12 ARG 5 2HH1 ARG 5 -8.730 4.416 6.911 36 HH21 ARG 5 1HH2 ARG 5 -6.864 1.832 5.445 37 HH22 ARG 5 2HH2 ARG 5 -8.315 2.245 6.302 38 H CYS 6 H CYS 6 -2.173 5.253 1.734 39 HA CYS 6 HA CYS 6 -3.142 6.977 -0.477 40 HB2 CYS 6 1HB CYS 6 -0.971 4.836 -0.718 41 HB3 CYS 6 2HB CYS 6 -1.555 5.899 -2.002 42 HG CYS 6 HG CYS 6 -0.660 8.019 0.126 43 H ARG 7 H ARG 7 -4.355 5.803 -2.092 44 HA ARG 7 HA ARG 7 -5.540 3.274 -1.129 45 HB2 ARG 7 1HB ARG 7 -6.960 5.410 -1.636 46 HB3 ARG 7 2HB ARG 7 -6.672 5.035 -3.328 47 HG2 ARG 7 1HG ARG 7 -7.600 2.600 -2.291 48 HG3 ARG 7 2HG ARG 7 -8.534 3.793 -1.394 49 HD2 ARG 7 1HD ARG 7 -9.831 3.228 -3.307 50 HD3 ARG 7 2HD ARG 7 -9.149 4.823 -3.644 51 HE ARG 7 HE ARG 7 -7.385 2.915 -4.671 52 HH11 ARG 7 1HH1 ARG 7 -10.626 4.080 -5.360 53 HH12 ARG 7 2HH1 ARG 7 -10.580 3.559 -7.014 54 HH21 ARG 7 1HH2 ARG 7 -7.348 2.242 -6.817 55 HH22 ARG 7 2HH2 ARG 7 -8.730 2.507 -7.827 56 H THR 8 H THR 8 -5.170 1.452 -2.258 57 HA THR 8 HA THR 8 -3.268 1.346 -4.369 58 HB THR 8 HB THR 8 -3.845 -1.135 -4.361 59 HG1 THR 8 HG1 THR 8 -5.285 -1.804 -2.690 60 HG21 THR 8 3HG2 THR 8 -2.976 -1.580 -2.095 61 HG22 THR 8 1HG2 THR 8 -3.302 0.095 -1.626 62 HG23 THR 8 2HG2 THR 8 -2.082 -0.264 -2.853 63 H LEU 9 H LEU 9 -3.531 0.946 -6.531 64 HA LEU 9 HA LEU 9 -6.000 1.736 -7.770 65 HB2 LEU 9 1HB LEU 9 -3.421 0.655 -8.981 66 HB3 LEU 9 2HB LEU 9 -4.748 1.361 -9.899 67 HG LEU 9 HG LEU 9 -2.999 2.827 -7.873 68 HD11 LEU 9 1HD1 LEU 9 -1.797 2.363 -9.945 69 HD12 LEU 9 2HD1 LEU 9 -2.132 4.086 -9.792 70 HD13 LEU 9 3HD1 LEU 9 -3.093 3.097 -10.896 71 HD21 LEU 9 3HD2 LEU 9 -4.188 4.876 -8.595 72 HD22 LEU 9 1HD2 LEU 9 -5.247 3.731 -7.778 73 HD23 LEU 9 2HD2 LEU 9 -5.308 3.889 -9.534 74 H TYR 10 H TYR 10 -4.023 -1.226 -8.281 75 HA TYR 10 HA TYR 10 -6.392 -2.959 -8.136 76 HB2 TYR 10 1HB TYR 10 -4.550 -2.815 -10.589 77 HB3 TYR 10 2HB TYR 10 -5.704 -4.110 -10.301 78 HD1 TYR 10 HD1 TYR 10 -8.230 -3.221 -9.816 79 HD2 TYR 10 HD2 TYR 10 -5.265 -1.087 -12.047 80 HE1 TYR 10 HE1 TYR 10 -9.999 -1.928 -10.933 81 HE2 TYR 10 HE2 TYR 10 -7.043 0.200 -13.161 82 HH TYR 10 HH TYR 10 -9.454 -0.039 -13.682 83 HA PRO 11 HA PRO 11 -3.278 -5.751 -6.330 84 HB2 PRO 11 1HB PRO 11 -4.693 -8.138 -7.397 85 HB3 PRO 11 2HB PRO 11 -4.499 -7.615 -5.720 86 HG2 PRO 11 1HG PRO 11 -6.892 -7.505 -6.988 87 HG3 PRO 11 2HG PRO 11 -6.421 -6.314 -5.757 88 HD2 PRO 11 1HD PRO 11 -6.332 -6.050 -8.772 89 HD3 PRO 11 2HD PRO 11 -6.920 -4.896 -7.554 90 H PHE 12 H PHE 12 -1.665 -7.373 -6.965 91 HA PHE 12 HA PHE 12 -0.829 -7.023 -9.765 92 HB2 PHE 12 1HB PHE 12 1.391 -7.961 -8.943 93 HB3 PHE 12 2HB PHE 12 0.908 -6.429 -8.234 94 HD1 PHE 12 HD2 PHE 12 0.193 -6.306 -5.858 95 HD2 PHE 12 HD1 PHE 12 1.612 -9.970 -7.555 96 HE1 PHE 12 HE2 PHE 12 0.509 -7.234 -3.605 97 HE2 PHE 12 HE1 PHE 12 1.926 -10.887 -5.293 98 HZ PHE 12 HZ PHE 12 1.377 -9.520 -3.316 99 H SER 13 H SER 13 0.016 -8.823 -10.993 100 HA SER 13 HA SER 13 -1.859 -10.897 -11.228 101 HB2 SER 13 1HB SER 13 0.942 -10.747 -12.408 102 HB3 SER 13 2HB SER 13 -0.371 -11.788 -12.984 103 HG SER 13 HG SER 13 -1.511 -9.965 -13.591 104 H GLY 14 H GLY 14 1.262 -10.809 -9.567 105 HA2 GLY 14 1HA GLY 14 1.372 -12.175 -7.530 106 HA3 GLY 14 2HA GLY 14 0.735 -13.527 -8.454 107 H GLU 15 H GLU 15 2.334 -13.061 -10.817 108 HA GLU 15 HA GLU 15 4.639 -14.568 -10.153 109 HB2 GLU 15 1HB GLU 15 3.555 -14.709 -12.373 110 HB3 GLU 15 2HB GLU 15 3.995 -13.036 -12.709 111 HG2 GLU 15 1HG GLU 15 6.405 -13.670 -12.644 112 HG3 GLU 15 2HG GLU 15 5.942 -15.343 -12.336 113 H ARG 16 H ARG 16 5.908 -13.501 -8.669 114 HA ARG 16 HA ARG 16 7.868 -11.747 -9.805 115 HB2 ARG 16 1HB ARG 16 6.050 -10.133 -8.946 116 HB3 ARG 16 2HB ARG 16 6.440 -10.669 -7.316 117 HG2 ARG 16 1HG ARG 16 7.629 -8.594 -7.764 118 HG3 ARG 16 2HG ARG 16 8.806 -9.909 -7.668 119 HD2 ARG 16 1HD ARG 16 8.561 -10.037 -10.261 120 HD3 ARG 16 2HD ARG 16 7.819 -8.438 -10.125 121 HE ARG 16 HE ARG 16 10.124 -8.082 -8.792 122 HH11 ARG 16 1HH1 ARG 16 9.527 -9.568 -11.925 123 HH12 ARG 16 2HH1 ARG 16 11.080 -9.132 -12.564 124 HH21 ARG 16 1HH2 ARG 16 12.173 -7.552 -9.633 125 HH22 ARG 16 2HH2 ARG 16 12.581 -7.992 -11.261 126 H HIS 17 H HIS 17 9.667 -12.693 -9.183 127 HA HIS 17 HA HIS 17 9.959 -14.336 -6.847 128 HB2 HIS 17 1HB HIS 17 12.394 -14.453 -7.615 129 HB3 HIS 17 2HB HIS 17 11.204 -15.002 -8.786 130 HD2 HIS 17 HD2 HIS 17 14.166 -12.661 -8.621 131 HE1 HIS 17 HE1 HIS 17 11.896 -11.460 -11.978 132 HE2 HIS 17 HE2 HIS 17 14.155 -11.351 -10.848 133 H GLY 18 H GLY 18 9.449 -12.988 -5.155 134 HA2 GLY 18 1HA GLY 18 11.415 -11.811 -3.653 135 HA3 GLY 18 2HA GLY 18 10.744 -10.480 -4.593 136 H GLN 19 H GLN 19 10.646 -10.678 -1.766 137 HA GLN 19 HA GLN 19 8.025 -11.571 -0.907 138 HB2 GLN 19 1HB GLN 19 10.351 -11.434 0.426 139 HB3 GLN 19 2HB GLN 19 9.807 -9.806 0.804 140 HG2 GLN 19 1HG GLN 19 8.384 -12.411 1.502 141 HG3 GLN 19 2HG GLN 19 9.294 -11.384 2.607 142 HE21 GLN 19 2HE2 GLN 19 6.294 -11.832 0.925 143 HE22 GLN 19 1HE2 GLN 19 5.408 -10.579 1.722 144 H GLY 20 H GLY 20 6.212 -10.323 -0.795 145 HA2 GLY 20 1HA GLY 20 6.370 -7.378 -0.876 146 HA3 GLY 20 2HA GLY 20 5.500 -8.200 -2.169 147 H LEU 21 H LEU 21 4.062 -6.448 -0.787 148 HA LEU 21 HA LEU 21 2.648 -7.720 1.449 149 HB2 LEU 21 1HB LEU 21 3.242 -5.347 1.659 150 HB3 LEU 21 2HB LEU 21 2.413 -4.968 0.161 151 HG LEU 21 HG LEU 21 0.230 -5.513 1.232 152 HD11 LEU 21 1HD1 LEU 21 0.943 -7.182 2.845 153 HD12 LEU 21 2HD1 LEU 21 0.097 -5.874 3.664 154 HD13 LEU 21 3HD1 LEU 21 1.857 -5.968 3.748 155 HD21 LEU 21 3HD2 LEU 21 0.092 -3.547 2.698 156 HD22 LEU 21 1HD2 LEU 21 1.039 -3.187 1.254 157 HD23 LEU 21 2HD2 LEU 21 1.855 -3.473 2.795 158 H ARG 22 H ARG 22 0.665 -8.585 1.273 159 HA ARG 22 HA ARG 22 -0.693 -8.756 -1.302 160 HB2 ARG 22 1HB ARG 22 -1.249 -10.023 1.409 161 HB3 ARG 22 2HB ARG 22 -2.287 -10.256 0.002 162 HG2 ARG 22 1HG ARG 22 -0.326 -11.249 -1.213 163 HG3 ARG 22 2HG ARG 22 0.613 -11.116 0.277 164 HD2 ARG 22 1HD ARG 22 -0.323 -13.400 -0.057 165 HD3 ARG 22 2HD ARG 22 -0.929 -12.645 1.423 166 HE ARG 22 HE ARG 22 -2.811 -12.010 -0.449 167 HH11 ARG 22 1HH1 ARG 22 -1.460 -15.077 0.571 168 HH12 ARG 22 2HH1 ARG 22 -2.923 -15.954 0.256 169 HH21 ARG 22 1HH2 ARG 22 -4.722 -13.165 -0.833 170 HH22 ARG 22 2HH2 ARG 22 -4.764 -14.877 -0.549 171 H PHE 23 H PHE 23 -2.549 -7.759 -1.804 172 HA PHE 23 HA PHE 23 -4.329 -6.502 0.073 173 HB2 PHE 23 1HB PHE 23 -4.091 -4.176 -0.883 174 HB3 PHE 23 2HB PHE 23 -2.687 -4.702 0.032 175 HD1 PHE 23 HD2 PHE 23 -3.966 -4.016 -3.401 176 HD2 PHE 23 HD1 PHE 23 -0.526 -4.959 -1.034 177 HE1 PHE 23 HE2 PHE 23 -2.499 -3.494 -5.308 178 HE2 PHE 23 HE1 PHE 23 0.921 -4.434 -2.948 179 HZ PHE 23 HZ PHE 23 -0.057 -3.703 -5.077 180 H ALA 24 H ALA 24 -6.006 -5.153 -1.239 181 HA ALA 24 HA ALA 24 -6.618 -6.408 -3.856 182 HB1 ALA 24 3HB ALA 24 -8.117 -7.291 -2.098 183 HB2 ALA 24 1HB ALA 24 -9.016 -6.299 -3.250 184 HB3 ALA 24 2HB ALA 24 -8.596 -5.649 -1.663 185 H ALA 25 H ALA 25 -8.151 -4.996 -5.174 186 HA ALA 25 HA ALA 25 -7.216 -2.323 -5.469 187 HB1 ALA 25 3HB ALA 25 -9.670 -3.673 -6.650 188 HB2 ALA 25 1HB ALA 25 -8.069 -3.587 -7.382 189 HB3 ALA 25 2HB ALA 25 -9.014 -2.117 -7.172 190 H GLY 26 H GLY 26 -7.887 -0.490 -4.497 191 HA2 GLY 26 1HA GLY 26 -9.502 1.056 -3.741 192 HA3 GLY 26 2HA GLY 26 -10.622 -0.251 -3.409 193 H GLU 27 H GLU 27 -7.665 -1.170 -2.180 194 HA GLU 27 HA GLU 27 -8.469 -0.675 0.550 195 HB2 GLU 27 1HB GLU 27 -6.008 -2.029 -0.638 196 HB3 GLU 27 2HB GLU 27 -6.297 -1.888 1.098 197 HG2 GLU 27 1HG GLU 27 -8.081 -3.352 -0.886 198 HG3 GLU 27 2HG GLU 27 -6.923 -4.101 0.217 199 H LEU 28 H LEU 28 -8.120 1.191 1.530 200 HA LEU 28 HA LEU 28 -6.012 3.026 0.811 201 HB2 LEU 28 1HB LEU 28 -7.892 3.047 3.218 202 HB3 LEU 28 2HB LEU 28 -6.756 4.321 2.817 203 HG LEU 28 HG LEU 28 -8.075 4.659 0.639 204 HD11 LEU 28 1HD1 LEU 28 -10.397 3.891 0.550 205 HD12 LEU 28 2HD1 LEU 28 -10.157 2.937 2.017 206 HD13 LEU 28 3HD1 LEU 28 -9.277 2.528 0.541 207 HD21 LEU 28 3HD2 LEU 28 -9.516 5.200 3.259 208 HD22 LEU 28 1HD2 LEU 28 -9.809 6.028 1.724 209 HD23 LEU 28 2HD2 LEU 28 -8.255 6.201 2.537 210 H ILE 29 H ILE 29 -4.034 2.153 1.161 211 HA ILE 29 HA ILE 29 -3.361 0.701 3.614 212 HB ILE 29 HB ILE 29 -1.674 1.257 1.122 213 HG12 ILE 29 1HG1 ILE 29 -3.587 -0.181 0.554 214 HG13 ILE 29 2HG1 ILE 29 -2.107 -1.131 0.528 215 HG21 ILE 29 1HG2 ILE 29 -0.157 -0.515 1.966 216 HG22 ILE 29 2HG2 ILE 29 -1.108 -0.626 3.447 217 HG23 ILE 29 3HG2 ILE 29 -0.239 0.861 3.066 218 HD11 ILE 29 3HD1 ILE 29 -3.918 -2.372 1.517 219 HD12 ILE 29 1HD1 ILE 29 -4.179 -1.113 2.721 220 HD13 ILE 29 2HD1 ILE 29 -2.682 -2.054 2.734 221 H THR 30 H THR 30 -2.579 1.801 5.291 222 HA THR 30 HA THR 30 -1.606 4.492 5.151 223 HB THR 30 HB THR 30 -1.445 2.519 7.487 224 HG1 THR 30 HG1 THR 30 -3.536 2.844 7.630 225 HG21 THR 30 3HG2 THR 30 -1.332 4.561 8.900 226 HG22 THR 30 1HG2 THR 30 -1.340 5.576 7.458 227 HG23 THR 30 2HG2 THR 30 0.032 4.512 7.782 228 H LEU 31 H LEU 31 0.395 5.104 4.695 229 HA LEU 31 HA LEU 31 2.592 3.299 4.327 230 HB2 LEU 31 1HB LEU 31 2.637 6.347 4.446 231 HB3 LEU 31 2HB LEU 31 3.882 5.304 3.766 232 HG LEU 31 HG LEU 31 1.072 5.709 2.648 233 HD11 LEU 31 1HD1 LEU 31 2.520 7.642 2.267 234 HD12 LEU 31 2HD1 LEU 31 2.179 6.806 0.755 235 HD13 LEU 31 3HD1 LEU 31 3.751 6.609 1.534 236 HD21 LEU 31 3HD2 LEU 31 1.772 3.399 2.246 237 HD22 LEU 31 1HD2 LEU 31 3.308 3.946 1.565 238 HD23 LEU 31 2HD2 LEU 31 1.792 4.304 0.736 239 H LEU 32 H LEU 32 4.101 2.752 5.782 240 HA LEU 32 HA LEU 32 3.678 3.218 8.570 241 HB2 LEU 32 1HB LEU 32 5.895 1.798 7.033 242 HB3 LEU 32 2HB LEU 32 5.700 1.722 8.782 243 HG LEU 32 HG LEU 32 3.577 0.743 6.823 244 HD11 LEU 32 1HD1 LEU 32 4.334 -1.541 7.305 245 HD12 LEU 32 2HD1 LEU 32 5.678 -0.910 8.258 246 HD13 LEU 32 3HD1 LEU 32 5.603 -0.597 6.522 247 HD21 LEU 32 3HD2 LEU 32 2.681 1.338 9.019 248 HD22 LEU 32 1HD2 LEU 32 3.893 0.335 9.823 249 HD23 LEU 32 2HD2 LEU 32 2.656 -0.407 8.811 250 H GLN 33 H GLN 33 6.379 3.812 6.361 251 HA GLN 33 HA GLN 33 7.029 6.374 7.654 252 HB2 GLN 33 1HB GLN 33 9.021 4.138 7.028 253 HB3 GLN 33 2HB GLN 33 9.522 5.806 7.283 254 HG2 GLN 33 1HG GLN 33 8.049 4.142 9.356 255 HG3 GLN 33 2HG GLN 33 9.807 4.275 9.262 256 HE21 GLN 33 2HE2 GLN 33 6.844 5.926 10.106 257 HE22 GLN 33 1HE2 GLN 33 7.583 7.284 10.879 258 H VAL 34 H VAL 34 7.765 7.896 6.149 259 HA VAL 34 HA VAL 34 7.502 7.166 3.300 260 HB VAL 34 HB VAL 34 6.934 9.603 2.908 261 HG11 VAL 34 1HG1 VAL 34 5.048 8.036 4.703 262 HG12 VAL 34 2HG1 VAL 34 5.205 7.868 2.953 263 HG13 VAL 34 3HG1 VAL 34 4.579 9.369 3.638 264 HG21 VAL 34 3HG2 VAL 34 6.641 9.735 5.943 265 HG22 VAL 34 1HG2 VAL 34 6.128 10.988 4.809 266 HG23 VAL 34 2HG2 VAL 34 7.840 10.605 4.987 267 HA PRO 35 HA PRO 35 11.934 8.361 3.211 268 HB2 PRO 35 1HB PRO 35 11.848 7.029 0.547 269 HB3 PRO 35 2HB PRO 35 12.860 6.652 1.948 270 HG2 PRO 35 1HG PRO 35 10.856 5.016 1.184 271 HG3 PRO 35 2HG PRO 35 11.258 5.248 2.900 272 HD2 PRO 35 1HD PRO 35 9.050 6.545 1.286 273 HD3 PRO 35 2HD PRO 35 8.973 5.782 2.893 274 H ASP 36 H ASP 36 13.180 9.556 1.471 275 HA ASP 36 HA ASP 36 11.561 11.699 0.344 276 HB2 ASP 36 1HB ASP 36 13.718 12.756 -0.236 277 HB3 ASP 36 2HB ASP 36 13.698 12.259 1.448 278 H GLY 37 H GLY 37 12.545 8.661 -0.753 279 HA2 GLY 37 1HA GLY 37 12.546 9.348 -3.614 280 HA3 GLY 37 2HA GLY 37 12.836 7.766 -2.905 281 H GLY 38 H GLY 38 11.314 7.455 -4.884 282 HA2 GLY 38 1HA GLY 38 8.444 7.767 -4.227 283 HA3 GLY 38 2HA GLY 38 9.125 7.426 -5.813 284 H TRP 39 H TRP 39 10.056 5.774 -2.863 285 HA TRP 39 HA TRP 39 8.558 3.329 -3.628 286 HB2 TRP 39 1HB TRP 39 11.399 3.510 -2.494 287 HB3 TRP 39 2HB TRP 39 10.490 2.012 -2.666 288 HD1 TRP 39 HD1 TRP 39 12.304 4.672 -4.798 289 HE1 TRP 39 HE1 TRP 39 12.796 3.659 -7.106 290 HE3 TRP 39 HE3 TRP 39 9.728 0.268 -4.340 291 HZ2 TRP 39 HZ2 TRP 39 12.189 1.324 -8.550 292 HZ3 TRP 39 HZ3 TRP 39 9.738 -1.308 -6.235 293 HH2 TRP 39 HH2 TRP 39 10.947 -0.790 -8.301 294 H TRP 40 H TRP 40 7.001 3.161 -2.108 295 HA TRP 40 HA TRP 40 7.536 4.153 0.644 296 HB2 TRP 40 1HB TRP 40 4.871 3.985 -0.838 297 HB3 TRP 40 2HB TRP 40 5.094 4.571 0.809 298 HD1 TRP 40 HD1 TRP 40 7.715 6.430 0.102 299 HE1 TRP 40 HE1 TRP 40 7.290 8.653 -1.109 300 HE3 TRP 40 HE3 TRP 40 3.094 5.422 -1.860 301 HZ2 TRP 40 HZ2 TRP 40 5.270 9.839 -2.671 302 HZ3 TRP 40 HZ3 TRP 40 1.970 7.163 -3.192 303 HH2 TRP 40 HH2 TRP 40 3.042 9.329 -3.583 304 H GLU 41 H GLU 41 6.854 2.972 2.374 305 HA GLU 41 HA GLU 41 6.310 0.109 1.915 306 HB2 GLU 41 1HB GLU 41 7.539 1.541 4.317 307 HB3 GLU 41 2HB GLU 41 7.252 -0.197 4.207 308 HG2 GLU 41 1HG GLU 41 8.790 -0.232 2.195 309 HG3 GLU 41 2HG GLU 41 9.177 1.454 2.537 310 H GLY 42 H GLY 42 4.342 -0.588 2.401 311 HA2 GLY 42 1HA GLY 42 2.638 0.864 4.360 312 HA3 GLY 42 2HA GLY 42 2.036 0.048 2.923 313 H GLU 43 H GLU 43 0.739 -0.722 4.946 314 HA GLU 43 HA GLU 43 1.668 -3.412 5.683 315 HB2 GLU 43 1HB GLU 43 2.410 -1.850 7.513 316 HB3 GLU 43 2HB GLU 43 0.744 -1.336 7.732 317 HG2 GLU 43 1HG GLU 43 0.225 -3.788 8.304 318 HG3 GLU 43 2HG GLU 43 1.973 -4.037 8.363 319 H LYS 44 H LYS 44 -0.089 -4.745 6.491 320 HA LYS 44 HA LYS 44 -2.833 -3.775 5.924 321 HB2 LYS 44 1HB LYS 44 -1.438 -6.351 5.187 322 HB3 LYS 44 2HB LYS 44 -3.162 -6.427 5.528 323 HG2 LYS 44 1HG LYS 44 -1.936 -4.560 3.458 324 HG3 LYS 44 2HG LYS 44 -2.554 -6.175 3.087 325 HD2 LYS 44 1HD LYS 44 -4.192 -3.890 4.268 326 HD3 LYS 44 2HD LYS 44 -4.194 -4.377 2.569 327 HE2 LYS 44 1HE LYS 44 -5.211 -6.512 3.115 328 HE3 LYS 44 2HE LYS 44 -5.001 -6.228 4.844 329 HZ1 LYS 44 3HZ LYS 44 -6.532 -4.332 4.636 330 HZ2 LYS 44 1HZ LYS 44 -7.251 -5.812 4.239 331 HZ3 LYS 44 2HZ LYS 44 -6.795 -4.740 3.018 332 H GLU 45 H GLU 45 -4.485 -5.084 6.999 333 HA GLU 45 HA GLU 45 -4.490 -5.120 9.761 334 HB2 GLU 45 1HB GLU 45 -6.558 -6.548 9.469 335 HB3 GLU 45 2HB GLU 45 -6.526 -5.107 8.453 336 HG2 GLU 45 1HG GLU 45 -5.741 -6.502 6.528 337 HG3 GLU 45 2HG GLU 45 -5.855 -7.937 7.542 338 H ASP 46 H ASP 46 -3.410 -7.562 7.550 339 HA ASP 46 HA ASP 46 -3.425 -9.884 9.139 340 HB2 ASP 46 1HB ASP 46 -3.223 -9.900 6.680 341 HB3 ASP 46 2HB ASP 46 -1.664 -9.090 6.774 342 H GLY 47 H GLY 47 -1.158 -7.225 8.874 343 HA2 GLY 47 1HA GLY 47 0.437 -6.737 10.607 344 HA3 GLY 47 2HA GLY 47 0.669 -8.465 10.863 345 H LEU 48 H LEU 48 0.610 -8.842 7.834 346 HA LEU 48 HA LEU 48 3.365 -8.711 7.264 347 HB2 LEU 48 1HB LEU 48 1.777 -10.268 6.122 348 HB3 LEU 48 2HB LEU 48 1.038 -8.904 5.304 349 HG LEU 48 HG LEU 48 3.222 -8.447 4.129 350 HD11 LEU 48 1HD1 LEU 48 5.003 -10.135 4.138 351 HD12 LEU 48 2HD1 LEU 48 4.165 -11.035 5.403 352 HD13 LEU 48 3HD1 LEU 48 4.784 -9.412 5.730 353 HD21 LEU 48 3HD2 LEU 48 2.112 -11.236 3.666 354 HD22 LEU 48 1HD2 LEU 48 3.099 -10.310 2.530 355 HD23 LEU 48 2HD2 LEU 48 1.493 -9.735 2.970 356 H ARG 49 H ARG 49 4.560 -7.281 6.163 357 HA ARG 49 HA ARG 49 3.422 -4.663 5.379 358 HB2 ARG 49 1HB ARG 49 6.262 -5.242 6.372 359 HB3 ARG 49 2HB ARG 49 5.557 -3.656 6.041 360 HG2 ARG 49 1HG ARG 49 4.023 -3.896 7.935 361 HG3 ARG 49 2HG ARG 49 4.593 -5.542 8.231 362 HD2 ARG 49 1HD ARG 49 6.892 -4.578 8.667 363 HD3 ARG 49 2HD ARG 49 6.173 -2.964 8.552 364 HE ARG 49 HE ARG 49 5.471 -5.006 10.582 365 HH11 ARG 49 1HH1 ARG 49 5.716 -1.617 9.692 366 HH12 ARG 49 2HH1 ARG 49 5.323 -1.056 11.283 367 HH21 ARG 49 1HH2 ARG 49 4.991 -4.255 12.657 368 HH22 ARG 49 2HH2 ARG 49 4.928 -2.549 12.967 369 H GLY 50 H GLY 50 4.969 -3.593 3.724 370 HA2 GLY 50 1HA GLY 50 6.736 -5.062 2.100 371 HA3 GLY 50 2HA GLY 50 5.132 -5.139 1.367 372 H TRP 51 H TRP 51 6.863 -4.020 -0.173 373 HA TRP 51 HA TRP 51 6.297 -1.144 -0.110 374 HB2 TRP 51 1HB TRP 51 8.704 -0.651 -0.712 375 HB3 TRP 51 2HB TRP 51 8.469 -1.209 0.935 376 HD1 TRP 51 HD1 TRP 51 9.238 -3.814 1.449 377 HE1 TRP 51 HE1 TRP 51 11.136 -5.194 0.409 378 HE3 TRP 51 HE3 TRP 51 10.027 -1.059 -2.790 379 HZ2 TRP 51 HZ2 TRP 51 12.748 -5.139 -1.893 380 HZ3 TRP 51 HZ3 TRP 51 11.775 -1.791 -4.366 381 HH2 TRP 51 HH2 TRP 51 13.111 -3.792 -3.923 382 H PHE 52 H PHE 52 5.921 -0.317 -2.056 383 HA PHE 52 HA PHE 52 6.557 -1.770 -4.536 384 HB2 PHE 52 1HB PHE 52 3.741 -0.892 -3.670 385 HB3 PHE 52 2HB PHE 52 4.148 -1.294 -5.335 386 HD1 PHE 52 HD1 PHE 52 4.727 -3.643 -5.960 387 HD2 PHE 52 HD2 PHE 52 3.429 -2.657 -2.002 388 HE1 PHE 52 HE1 PHE 52 4.318 -6.026 -5.490 389 HE2 PHE 52 HE2 PHE 52 3.026 -5.038 -1.553 390 HZ PHE 52 HZ PHE 52 3.469 -6.723 -3.288 391 HA PRO 53 HA PRO 53 7.395 2.338 -6.305 392 HB2 PRO 53 1HB PRO 53 5.409 1.556 -8.459 393 HB3 PRO 53 2HB PRO 53 7.030 2.256 -8.628 394 HG2 PRO 53 1HG PRO 53 6.668 -0.340 -9.071 395 HG3 PRO 53 2HG PRO 53 8.099 0.205 -8.165 396 HD2 PRO 53 1HD PRO 53 5.565 -1.053 -7.135 397 HD3 PRO 53 2HD PRO 53 7.243 -1.296 -6.603 398 H ALA 54 H ALA 54 6.527 4.374 -6.193 399 HA ALA 54 HA ALA 54 4.096 4.896 -4.839 400 HB1 ALA 54 3HB ALA 54 5.862 6.802 -6.421 401 HB2 ALA 54 1HB ALA 54 6.053 6.386 -4.717 402 HB3 ALA 54 2HB ALA 54 4.625 7.272 -5.249 403 H SER 55 H SER 55 4.905 4.658 -8.231 404 HA SER 55 HA SER 55 2.643 5.954 -9.377 405 HB2 SER 55 1HB SER 55 4.415 3.770 -10.564 406 HB3 SER 55 2HB SER 55 3.343 4.838 -11.474 407 HG SER 55 HG SER 55 4.767 6.504 -10.167 408 H TYR 56 H TYR 56 3.082 2.823 -7.921 409 HA TYR 56 HA TYR 56 0.998 1.450 -9.375 410 HB2 TYR 56 1HB TYR 56 3.114 0.358 -8.364 411 HB3 TYR 56 2HB TYR 56 2.308 0.457 -6.799 412 HD1 TYR 56 HD1 TYR 56 2.031 -0.971 -10.231 413 HD2 TYR 56 HD2 TYR 56 0.621 -1.199 -6.203 414 HE1 TYR 56 HE1 TYR 56 0.820 -3.031 -10.773 415 HE2 TYR 56 HE2 TYR 56 -0.582 -3.270 -6.750 416 HH TYR 56 HH TYR 56 -1.556 -4.319 -8.776 417 H VAL 57 H VAL 57 1.142 3.439 -6.578 418 HA VAL 57 HA VAL 57 -1.686 2.836 -5.898 419 HB VAL 57 HB VAL 57 -1.238 3.757 -3.620 420 HG11 VAL 57 1HG1 VAL 57 0.019 1.821 -2.711 421 HG12 VAL 57 2HG1 VAL 57 0.584 1.416 -4.334 422 HG13 VAL 57 3HG1 VAL 57 -1.136 1.310 -3.946 423 HG21 VAL 57 3HG2 VAL 57 0.672 5.237 -4.144 424 HG22 VAL 57 1HG2 VAL 57 1.695 3.835 -4.464 425 HG23 VAL 57 2HG2 VAL 57 1.093 4.139 -2.831 426 H GLN 58 H GLN 58 -2.814 4.798 -4.986 427 HA GLN 58 HA GLN 58 -2.062 7.305 -6.386 428 HB2 GLN 58 1HB GLN 58 -4.095 6.203 -7.348 429 HB3 GLN 58 2HB GLN 58 -4.865 6.239 -5.764 430 HG2 GLN 58 1HG GLN 58 -4.704 8.767 -5.843 431 HG3 GLN 58 2HG GLN 58 -4.122 8.623 -7.500 432 HE21 GLN 58 2HE2 GLN 58 -6.878 8.254 -5.389 433 HE22 GLN 58 1HE2 GLN 58 -8.072 8.144 -6.632 434 H LEU 59 H LEU 59 -1.884 9.076 -5.081 435 HA LEU 59 HA LEU 59 -2.149 8.978 -2.257 436 HB2 LEU 59 1HB LEU 59 -1.956 11.338 -4.173 437 HB3 LEU 59 2HB LEU 59 -1.897 11.502 -2.422 438 HG LEU 59 HG LEU 59 0.133 9.929 -4.078 439 HD11 LEU 59 1HD1 LEU 59 1.713 11.740 -3.615 440 HD12 LEU 59 2HD1 LEU 59 0.452 12.659 -2.790 441 HD13 LEU 59 3HD1 LEU 59 0.323 12.337 -4.521 442 HD21 LEU 59 3HD2 LEU 59 0.134 10.625 -1.115 443 HD22 LEU 59 1HD2 LEU 59 1.458 9.850 -1.992 444 HD23 LEU 59 2HD2 LEU 59 -0.082 9.020 -1.816 445 H LEU 60 H LEU 60 -3.746 9.811 -0.890 446 HA LEU 60 HA LEU 60 -6.449 9.773 -1.859 447 HB2 LEU 60 1HB LEU 60 -5.288 10.408 0.878 448 HB3 LEU 60 2HB LEU 60 -7.014 10.350 0.549 449 HG LEU 60 HG LEU 60 -5.080 8.003 0.304 450 HD11 LEU 60 1HD1 LEU 60 -6.268 7.050 2.227 451 HD12 LEU 60 2HD1 LEU 60 -7.242 8.515 2.373 452 HD13 LEU 60 3HD1 LEU 60 -5.498 8.581 2.638 453 HD21 LEU 60 3HD2 LEU 60 -8.088 8.068 -0.142 454 HD22 LEU 60 1HD2 LEU 60 -7.085 6.613 -0.094 455 HD23 LEU 60 2HD2 LEU 60 -6.845 7.804 -1.368 Start of MODEL 8 1 H1 MET 1 1H MET 1 1.753 10.131 13.597 2 H2 MET 1 2H MET 1 2.097 11.772 13.821 3 H3 MET 1 3H MET 1 3.277 10.610 14.153 4 HA MET 1 HA MET 1 3.751 11.696 12.087 5 HB2 MET 1 1HB MET 1 2.733 8.854 11.636 6 HB3 MET 1 2HB MET 1 3.896 9.702 10.621 7 HG2 MET 1 1HG MET 1 5.043 8.117 12.040 8 HG3 MET 1 2HG MET 1 5.482 9.759 12.514 9 HE1 MET 1 3HE MET 1 6.452 8.876 14.878 10 HE2 MET 1 1HE MET 1 6.062 7.225 14.399 11 HE3 MET 1 2HE MET 1 5.531 7.840 15.968 12 H SER 2 H SER 2 3.064 12.338 10.012 13 HA SER 2 HA SER 2 0.289 13.009 9.737 14 HB2 SER 2 1HB SER 2 2.191 14.452 8.896 15 HB3 SER 2 2HB SER 2 2.515 13.252 7.649 16 HG SER 2 HG SER 2 0.270 14.936 7.968 17 H GLY 3 H GLY 3 -1.238 11.686 8.978 18 HA2 GLY 3 1HA GLY 3 -0.673 9.059 7.949 19 HA3 GLY 3 2HA GLY 3 -2.253 9.768 8.239 20 H ALA 4 H ALA 4 0.501 9.888 5.992 21 HA ALA 4 HA ALA 4 -1.153 10.815 3.779 22 HB1 ALA 4 3HB ALA 4 1.167 11.612 3.913 23 HB2 ALA 4 1HB ALA 4 0.939 10.642 2.457 24 HB3 ALA 4 2HB ALA 4 1.763 9.953 3.857 25 H ARG 5 H ARG 5 -1.819 9.459 2.093 26 HA ARG 5 HA ARG 5 -1.818 6.567 2.763 27 HB2 ARG 5 1HB ARG 5 -4.181 8.056 1.544 28 HB3 ARG 5 2HB ARG 5 -4.174 6.473 2.315 29 HG2 ARG 5 1HG ARG 5 -3.915 7.483 4.510 30 HG3 ARG 5 2HG ARG 5 -3.687 9.081 3.797 31 HD2 ARG 5 1HD ARG 5 -6.025 8.932 2.882 32 HD3 ARG 5 2HD ARG 5 -6.228 7.417 3.769 33 HE ARG 5 HE ARG 5 -5.918 10.115 4.925 34 HH11 ARG 5 1HH1 ARG 5 -6.607 6.707 5.474 35 HH12 ARG 5 2HH1 ARG 5 -7.324 6.985 7.029 36 HH21 ARG 5 1HH2 ARG 5 -6.855 10.457 6.942 37 HH22 ARG 5 2HH2 ARG 5 -7.459 9.116 7.862 38 H CYS 6 H CYS 6 -2.485 5.236 0.944 39 HA CYS 6 HA CYS 6 -2.193 6.319 -1.781 40 HB2 CYS 6 1HB CYS 6 -1.033 3.674 -0.773 41 HB3 CYS 6 2HB CYS 6 -0.984 4.249 -2.439 42 HG CYS 6 HG CYS 6 0.365 6.609 -0.717 43 H ARG 7 H ARG 7 -3.655 5.282 -3.245 44 HA ARG 7 HA ARG 7 -5.478 3.265 -2.087 45 HB2 ARG 7 1HB ARG 7 -7.334 4.197 -3.430 46 HB3 ARG 7 2HB ARG 7 -6.722 5.352 -2.253 47 HG2 ARG 7 1HG ARG 7 -5.491 6.523 -4.033 48 HG3 ARG 7 2HG ARG 7 -6.098 5.372 -5.225 49 HD2 ARG 7 1HD ARG 7 -7.858 7.185 -3.532 50 HD3 ARG 7 2HD ARG 7 -7.342 7.544 -5.180 51 HE ARG 7 HE ARG 7 -8.532 5.071 -5.317 52 HH11 ARG 7 1HH1 ARG 7 -9.617 8.252 -4.289 53 HH12 ARG 7 2HH1 ARG 7 -11.244 7.979 -4.808 54 HH21 ARG 7 1HH2 ARG 7 -10.673 4.746 -5.961 55 HH22 ARG 7 2HH2 ARG 7 -11.841 6.006 -5.748 56 H THR 8 H THR 8 -5.662 1.501 -3.173 57 HA THR 8 HA THR 8 -3.954 0.957 -5.418 58 HB THR 8 HB THR 8 -4.918 -1.410 -5.062 59 HG1 THR 8 HG1 THR 8 -5.836 -1.245 -2.672 60 HG21 THR 8 3HG2 THR 8 -3.583 -0.032 -2.692 61 HG22 THR 8 1HG2 THR 8 -2.742 -0.721 -4.085 62 HG23 THR 8 2HG2 THR 8 -3.631 -1.770 -2.980 63 H LEU 9 H LEU 9 -4.530 0.865 -7.469 64 HA LEU 9 HA LEU 9 -7.090 1.817 -8.306 65 HB2 LEU 9 1HB LEU 9 -4.795 0.750 -9.994 66 HB3 LEU 9 2HB LEU 9 -6.122 1.762 -10.550 67 HG LEU 9 HG LEU 9 -3.901 2.594 -8.635 68 HD11 LEU 9 1HD1 LEU 9 -3.137 2.453 -10.945 69 HD12 LEU 9 2HD1 LEU 9 -3.192 4.128 -10.405 70 HD13 LEU 9 3HD1 LEU 9 -4.454 3.507 -11.475 71 HD21 LEU 9 3HD2 LEU 9 -6.259 4.243 -9.616 72 HD22 LEU 9 1HD2 LEU 9 -4.877 4.860 -8.706 73 HD23 LEU 9 2HD2 LEU 9 -5.964 3.694 -7.963 74 H TYR 10 H TYR 10 -5.310 -1.255 -8.822 75 HA TYR 10 HA TYR 10 -7.843 -2.751 -8.946 76 HB2 TYR 10 1HB TYR 10 -5.657 -2.875 -11.084 77 HB3 TYR 10 2HB TYR 10 -6.930 -4.083 -10.927 78 HD1 TYR 10 HD1 TYR 10 -9.401 -3.161 -10.945 79 HD2 TYR 10 HD2 TYR 10 -6.054 -1.015 -12.506 80 HE1 TYR 10 HE1 TYR 10 -10.918 -1.784 -12.297 81 HE2 TYR 10 HE2 TYR 10 -7.573 0.361 -13.866 82 HH TYR 10 HH TYR 10 -10.995 0.322 -13.406 83 HA PRO 11 HA PRO 11 -5.404 -5.629 -6.501 84 HB2 PRO 11 1HB PRO 11 -6.830 -8.028 -7.287 85 HB3 PRO 11 2HB PRO 11 -7.087 -7.046 -5.845 86 HG2 PRO 11 1HG PRO 11 -8.902 -7.282 -7.945 87 HG3 PRO 11 2HG PRO 11 -8.885 -5.965 -6.755 88 HD2 PRO 11 1HD PRO 11 -7.811 -5.997 -9.566 89 HD3 PRO 11 2HD PRO 11 -8.629 -4.689 -8.682 90 H PHE 12 H PHE 12 -3.401 -5.613 -7.488 91 HA PHE 12 HA PHE 12 -2.845 -7.455 -9.723 92 HB2 PHE 12 1HB PHE 12 -1.055 -5.328 -8.461 93 HB3 PHE 12 2HB PHE 12 -0.643 -6.318 -9.858 94 HD1 PHE 12 HD1 PHE 12 -2.000 -6.052 -11.995 95 HD2 PHE 12 HD2 PHE 12 -2.302 -3.310 -8.728 96 HE1 PHE 12 HE1 PHE 12 -2.959 -4.357 -13.497 97 HE2 PHE 12 HE2 PHE 12 -3.261 -1.623 -10.239 98 HZ PHE 12 HZ PHE 12 -3.585 -2.146 -12.625 99 H SER 13 H SER 13 -1.561 -9.204 -9.488 100 HA SER 13 HA SER 13 0.054 -9.628 -7.081 101 HB2 SER 13 1HB SER 13 -2.002 -11.659 -8.068 102 HB3 SER 13 2HB SER 13 -0.813 -11.946 -6.794 103 HG SER 13 HG SER 13 -2.071 -9.738 -6.131 104 H GLY 14 H GLY 14 1.870 -9.364 -8.316 105 HA2 GLY 14 1HA GLY 14 2.435 -10.994 -10.664 106 HA3 GLY 14 2HA GLY 14 3.535 -9.893 -9.843 107 H GLU 15 H GLU 15 5.002 -11.823 -10.302 108 HA GLU 15 HA GLU 15 4.881 -13.745 -8.042 109 HB2 GLU 15 1HB GLU 15 4.141 -14.853 -10.158 110 HB3 GLU 15 2HB GLU 15 5.675 -14.428 -10.908 111 HG2 GLU 15 1HG GLU 15 5.666 -16.760 -10.201 112 HG3 GLU 15 2HG GLU 15 6.871 -15.844 -9.299 113 H ARG 16 H ARG 16 6.681 -13.982 -6.960 114 HA ARG 16 HA ARG 16 9.333 -13.245 -7.975 115 HB2 ARG 16 1HB ARG 16 8.110 -12.049 -5.435 116 HB3 ARG 16 2HB ARG 16 9.810 -11.934 -5.873 117 HG2 ARG 16 1HG ARG 16 9.227 -10.577 -7.842 118 HG3 ARG 16 2HG ARG 16 7.513 -10.709 -7.441 119 HD2 ARG 16 1HD ARG 16 7.857 -9.465 -5.376 120 HD3 ARG 16 2HD ARG 16 9.606 -9.446 -5.630 121 HE ARG 16 HE ARG 16 7.612 -7.982 -7.273 122 HH11 ARG 16 1HH1 ARG 16 10.935 -8.342 -6.167 123 HH12 ARG 16 2HH1 ARG 16 11.417 -6.787 -6.763 124 HH21 ARG 16 1HH2 ARG 16 8.269 -5.948 -8.041 125 HH22 ARG 16 2HH2 ARG 16 9.915 -5.436 -7.837 126 H HIS 17 H HIS 17 10.922 -14.558 -7.067 127 HA HIS 17 HA HIS 17 10.269 -16.764 -5.370 128 HB2 HIS 17 1HB HIS 17 12.158 -16.912 -6.969 129 HB3 HIS 17 2HB HIS 17 13.014 -15.625 -6.120 130 HD2 HIS 17 HD2 HIS 17 14.656 -16.478 -4.122 131 HE1 HIS 17 HE1 HIS 17 13.204 -20.451 -3.900 132 HE2 HIS 17 HE2 HIS 17 14.839 -18.777 -2.930 133 H GLY 18 H GLY 18 9.483 -16.215 -3.423 134 HA2 GLY 18 1HA GLY 18 10.605 -15.685 -1.121 135 HA3 GLY 18 2HA GLY 18 10.672 -14.061 -1.803 136 H GLN 19 H GLN 19 9.030 -12.803 -1.185 137 HA GLN 19 HA GLN 19 6.283 -13.628 -1.308 138 HB2 GLN 19 1HB GLN 19 6.846 -14.602 0.886 139 HB3 GLN 19 2HB GLN 19 7.529 -13.077 1.434 140 HG2 GLN 19 1HG GLN 19 5.454 -13.122 2.488 141 HG3 GLN 19 2HG GLN 19 5.139 -12.115 1.086 142 HE21 GLN 19 2HE2 GLN 19 4.937 -14.565 -0.726 143 HE22 GLN 19 1HE2 GLN 19 3.414 -15.249 -0.338 144 H GLY 20 H GLY 20 5.307 -11.905 -2.142 145 HA2 GLY 20 1HA GLY 20 6.098 -9.154 -1.435 146 HA3 GLY 20 2HA GLY 20 5.015 -9.631 -2.739 147 H LEU 21 H LEU 21 4.281 -7.605 -0.948 148 HA LEU 21 HA LEU 21 2.468 -8.843 1.011 149 HB2 LEU 21 1HB LEU 21 3.973 -6.839 1.594 150 HB3 LEU 21 2HB LEU 21 2.910 -5.863 0.596 151 HG LEU 21 HG LEU 21 0.986 -6.453 2.086 152 HD11 LEU 21 1HD1 LEU 21 1.394 -7.551 4.250 153 HD12 LEU 21 2HD1 LEU 21 3.068 -7.859 3.789 154 HD13 LEU 21 3HD1 LEU 21 1.750 -8.628 2.900 155 HD21 LEU 21 3HD2 LEU 21 1.643 -5.075 4.018 156 HD22 LEU 21 1HD2 LEU 21 2.220 -4.372 2.508 157 HD23 LEU 21 2HD2 LEU 21 3.341 -5.232 3.563 158 H ARG 22 H ARG 22 0.341 -9.015 0.688 159 HA ARG 22 HA ARG 22 -0.687 -8.687 -1.981 160 HB2 ARG 22 1HB ARG 22 -1.033 -10.703 -0.496 161 HB3 ARG 22 2HB ARG 22 -2.086 -9.727 0.518 162 HG2 ARG 22 1HG ARG 22 -3.646 -9.463 -1.402 163 HG3 ARG 22 2HG ARG 22 -2.578 -10.470 -2.386 164 HD2 ARG 22 1HD ARG 22 -2.903 -12.339 -0.765 165 HD3 ARG 22 2HD ARG 22 -4.030 -11.331 0.143 166 HE ARG 22 HE ARG 22 -5.097 -11.362 -2.357 167 HH11 ARG 22 1HH1 ARG 22 -4.088 -13.936 -0.174 168 HH12 ARG 22 2HH1 ARG 22 -5.289 -15.050 -0.735 169 HH21 ARG 22 1HH2 ARG 22 -6.662 -12.850 -3.089 170 HH22 ARG 22 2HH2 ARG 22 -6.728 -14.440 -2.403 171 H PHE 23 H PHE 23 -2.548 -7.526 -2.621 172 HA PHE 23 HA PHE 23 -3.965 -5.784 -0.782 173 HB2 PHE 23 1HB PHE 23 -3.552 -3.716 -2.125 174 HB3 PHE 23 2HB PHE 23 -2.091 -4.325 -1.364 175 HD1 PHE 23 HD2 PHE 23 -0.283 -5.330 -2.733 176 HD2 PHE 23 HD1 PHE 23 -3.773 -3.680 -4.572 177 HE1 PHE 23 HE2 PHE 23 0.876 -5.289 -4.907 178 HE2 PHE 23 HE1 PHE 23 -2.608 -3.645 -6.740 179 HZ PHE 23 HZ PHE 23 -0.285 -4.443 -6.908 180 H ALA 24 H ALA 24 -5.949 -5.149 -1.542 181 HA ALA 24 HA ALA 24 -6.923 -6.238 -4.121 182 HB1 ALA 24 3HB ALA 24 -9.181 -6.165 -3.097 183 HB2 ALA 24 1HB ALA 24 -8.480 -5.552 -1.595 184 HB3 ALA 24 2HB ALA 24 -8.082 -7.177 -2.154 185 H ALA 25 H ALA 25 -8.698 -4.779 -5.100 186 HA ALA 25 HA ALA 25 -7.727 -2.070 -5.346 187 HB1 ALA 25 3HB ALA 25 -10.226 -3.339 -6.528 188 HB2 ALA 25 1HB ALA 25 -8.640 -3.281 -7.294 189 HB3 ALA 25 2HB ALA 25 -9.526 -1.787 -7.002 190 H GLY 26 H GLY 26 -8.592 -0.202 -4.538 191 HA2 GLY 26 1HA GLY 26 -10.392 1.212 -3.953 192 HA3 GLY 26 2HA GLY 26 -11.324 -0.177 -3.421 193 H GLU 27 H GLU 27 -8.753 -1.080 -1.937 194 HA GLU 27 HA GLU 27 -9.382 0.327 0.529 195 HB2 GLU 27 1HB GLU 27 -7.790 -1.327 1.581 196 HB3 GLU 27 2HB GLU 27 -9.160 -2.044 0.755 197 HG2 GLU 27 1HG GLU 27 -7.486 -3.454 0.070 198 HG3 GLU 27 2HG GLU 27 -7.485 -2.296 -1.251 199 H LEU 28 H LEU 28 -7.573 1.062 1.936 200 HA LEU 28 HA LEU 28 -5.791 2.817 0.384 201 HB2 LEU 28 1HB LEU 28 -7.066 3.255 3.121 202 HB3 LEU 28 2HB LEU 28 -5.836 4.303 2.435 203 HG LEU 28 HG LEU 28 -7.444 4.801 0.524 204 HD11 LEU 28 1HD1 LEU 28 -8.960 2.901 0.686 205 HD12 LEU 28 2HD1 LEU 28 -9.839 4.421 0.841 206 HD13 LEU 28 3HD1 LEU 28 -9.505 3.446 2.276 207 HD21 LEU 28 3HD2 LEU 28 -8.762 6.434 1.797 208 HD22 LEU 28 1HD2 LEU 28 -7.086 6.393 2.343 209 HD23 LEU 28 2HD2 LEU 28 -8.345 5.611 3.301 210 H ILE 29 H ILE 29 -3.719 2.262 0.476 211 HA ILE 29 HA ILE 29 -2.569 0.656 2.613 212 HB ILE 29 HB ILE 29 -1.323 1.898 0.110 213 HG12 ILE 29 1HG1 ILE 29 -2.925 0.038 -0.355 214 HG13 ILE 29 2HG1 ILE 29 -1.279 -0.376 -0.819 215 HG21 ILE 29 1HG2 ILE 29 0.688 0.498 0.551 216 HG22 ILE 29 2HG2 ILE 29 0.007 0.033 2.112 217 HG23 ILE 29 3HG2 ILE 29 0.427 1.716 1.799 218 HD11 ILE 29 3HD1 ILE 29 -1.052 -1.730 1.216 219 HD12 ILE 29 1HD1 ILE 29 -2.409 -2.250 0.217 220 HD13 ILE 29 2HD1 ILE 29 -2.706 -1.307 1.674 221 H THR 30 H THR 30 -1.996 1.638 4.443 222 HA THR 30 HA THR 30 -1.297 4.473 4.577 223 HB THR 30 HB THR 30 -1.479 2.418 6.836 224 HG1 THR 30 HG1 THR 30 -3.425 3.262 5.365 225 HG21 THR 30 3HG2 THR 30 -0.195 4.447 7.468 226 HG22 THR 30 1HG2 THR 30 -1.748 4.401 8.305 227 HG23 THR 30 2HG2 THR 30 -1.524 5.469 6.918 228 H LEU 31 H LEU 31 0.786 5.192 4.696 229 HA LEU 31 HA LEU 31 2.961 3.321 4.545 230 HB2 LEU 31 1HB LEU 31 4.414 5.412 4.528 231 HB3 LEU 31 2HB LEU 31 3.287 5.200 3.208 232 HG LEU 31 HG LEU 31 1.759 6.866 4.441 233 HD11 LEU 31 1HD1 LEU 31 2.809 8.478 5.946 234 HD12 LEU 31 2HD1 LEU 31 4.283 7.506 5.981 235 HD13 LEU 31 3HD1 LEU 31 2.781 6.863 6.653 236 HD21 LEU 31 3HD2 LEU 31 4.403 7.826 3.322 237 HD22 LEU 31 1HD2 LEU 31 2.944 8.806 3.502 238 HD23 LEU 31 2HD2 LEU 31 2.948 7.432 2.402 239 H LEU 32 H LEU 32 4.646 3.029 5.960 240 HA LEU 32 HA LEU 32 4.136 3.536 8.816 241 HB2 LEU 32 1HB LEU 32 6.161 1.712 7.463 242 HB3 LEU 32 2HB LEU 32 5.814 1.767 9.185 243 HG LEU 32 HG LEU 32 3.797 0.897 7.070 244 HD11 LEU 32 1HD1 LEU 32 5.501 -0.853 8.867 245 HD12 LEU 32 2HD1 LEU 32 5.675 -0.669 7.121 246 HD13 LEU 32 3HD1 LEU 32 4.222 -1.406 7.785 247 HD21 LEU 32 3HD2 LEU 32 3.703 0.660 10.101 248 HD22 LEU 32 1HD2 LEU 32 2.500 0.019 8.977 249 HD23 LEU 32 2HD2 LEU 32 2.740 1.759 9.112 250 H GLN 33 H GLN 33 6.035 4.583 6.171 251 HA GLN 33 HA GLN 33 7.756 6.280 7.779 252 HB2 GLN 33 1HB GLN 33 8.949 4.042 7.644 253 HB3 GLN 33 2HB GLN 33 8.976 4.195 5.891 254 HG2 GLN 33 1HG GLN 33 10.324 6.294 6.158 255 HG3 GLN 33 2HG GLN 33 10.366 5.996 7.894 256 HE21 GLN 33 2HE2 GLN 33 10.689 3.057 7.547 257 HE22 GLN 33 1HE2 GLN 33 12.317 2.846 7.021 258 H VAL 34 H VAL 34 8.575 8.011 6.592 259 HA VAL 34 HA VAL 34 8.048 8.135 3.687 260 HB VAL 34 HB VAL 34 8.051 10.709 4.015 261 HG11 VAL 34 1HG1 VAL 34 5.721 9.143 5.206 262 HG12 VAL 34 2HG1 VAL 34 5.988 9.450 3.488 263 HG13 VAL 34 3HG1 VAL 34 5.648 10.793 4.579 264 HG21 VAL 34 3HG2 VAL 34 7.526 9.954 6.926 265 HG22 VAL 34 1HG2 VAL 34 7.374 11.578 6.241 266 HG23 VAL 34 2HG2 VAL 34 8.955 10.797 6.327 267 HA PRO 35 HA PRO 35 12.639 8.609 3.950 268 HB2 PRO 35 1HB PRO 35 13.361 6.666 2.227 269 HB3 PRO 35 2HB PRO 35 12.871 6.251 3.878 270 HG2 PRO 35 1HG PRO 35 11.291 6.067 1.324 271 HG3 PRO 35 2HG PRO 35 11.368 4.916 2.675 272 HD2 PRO 35 1HD PRO 35 9.348 6.827 2.313 273 HD3 PRO 35 2HD PRO 35 9.725 6.034 3.855 274 H ASP 36 H ASP 36 14.085 8.629 1.695 275 HA ASP 36 HA ASP 36 12.799 10.536 -0.106 276 HB2 ASP 36 1HB ASP 36 15.237 10.800 0.647 277 HB3 ASP 36 2HB ASP 36 15.630 9.381 -0.315 278 H GLY 37 H GLY 37 12.292 10.105 -2.237 279 HA2 GLY 37 1HA GLY 37 11.978 8.899 -4.206 280 HA3 GLY 37 2HA GLY 37 12.631 7.448 -3.444 281 H GLY 38 H GLY 38 10.300 7.369 -4.970 282 HA2 GLY 38 1HA GLY 38 7.932 7.436 -3.265 283 HA3 GLY 38 2HA GLY 38 8.014 7.025 -4.964 284 H TRP 39 H TRP 39 9.487 5.708 -2.003 285 HA TRP 39 HA TRP 39 8.207 3.088 -2.494 286 HB2 TRP 39 1HB TRP 39 11.085 3.533 -1.561 287 HB3 TRP 39 2HB TRP 39 10.277 1.970 -1.640 288 HD1 TRP 39 HD1 TRP 39 12.172 4.451 -3.792 289 HE1 TRP 39 HE1 TRP 39 12.453 3.486 -6.156 290 HE3 TRP 39 HE3 TRP 39 8.998 0.449 -3.430 291 HZ2 TRP 39 HZ2 TRP 39 11.473 1.330 -7.677 292 HZ3 TRP 39 HZ3 TRP 39 8.726 -1.012 -5.393 293 HH2 TRP 39 HH2 TRP 39 9.937 -0.584 -7.473 294 H TRP 40 H TRP 40 6.677 3.236 -0.939 295 HA TRP 40 HA TRP 40 7.450 4.023 1.814 296 HB2 TRP 40 1HB TRP 40 4.725 4.235 0.446 297 HB3 TRP 40 2HB TRP 40 5.024 4.590 2.144 298 HD1 TRP 40 HD1 TRP 40 7.842 6.241 1.478 299 HE1 TRP 40 HE1 TRP 40 7.573 8.652 0.637 300 HE3 TRP 40 HE3 TRP 40 2.999 6.007 -0.165 301 HZ2 TRP 40 HZ2 TRP 40 5.588 10.256 -0.542 302 HZ3 TRP 40 HZ3 TRP 40 1.980 8.036 -1.121 303 HH2 TRP 40 HH2 TRP 40 3.249 10.119 -1.304 304 H GLU 41 H GLU 41 6.714 2.743 3.518 305 HA GLU 41 HA GLU 41 6.358 -0.078 2.843 306 HB2 GLU 41 1HB GLU 41 6.764 1.243 5.563 307 HB3 GLU 41 2HB GLU 41 6.873 -0.481 5.217 308 HG2 GLU 41 1HG GLU 41 8.871 -0.072 3.836 309 HG3 GLU 41 2HG GLU 41 8.751 1.658 4.161 310 H GLY 42 H GLY 42 4.283 -0.784 2.644 311 HA2 GLY 42 1HA GLY 42 2.127 0.260 4.370 312 HA3 GLY 42 2HA GLY 42 1.963 -0.847 3.007 313 H GLU 43 H GLU 43 0.675 -1.438 5.342 314 HA GLU 43 HA GLU 43 1.909 -3.993 6.025 315 HB2 GLU 43 1HB GLU 43 2.774 -2.439 7.774 316 HB3 GLU 43 2HB GLU 43 1.125 -1.979 8.185 317 HG2 GLU 43 1HG GLU 43 0.652 -4.220 9.013 318 HG3 GLU 43 2HG GLU 43 2.224 -4.804 8.469 319 H LYS 44 H LYS 44 0.416 -5.534 6.706 320 HA LYS 44 HA LYS 44 -2.428 -4.877 6.244 321 HB2 LYS 44 1HB LYS 44 -0.964 -7.541 6.113 322 HB3 LYS 44 2HB LYS 44 -2.698 -7.345 5.868 323 HG2 LYS 44 1HG LYS 44 -2.127 -5.806 3.927 324 HG3 LYS 44 2HG LYS 44 -0.451 -6.314 4.125 325 HD2 LYS 44 1HD LYS 44 -1.297 -7.702 2.399 326 HD3 LYS 44 2HD LYS 44 -1.303 -8.734 3.828 327 HE2 LYS 44 1HE LYS 44 -3.737 -7.272 2.732 328 HE3 LYS 44 2HE LYS 44 -3.360 -8.962 2.416 329 HZ1 LYS 44 3HZ LYS 44 -3.503 -9.324 4.851 330 HZ2 LYS 44 1HZ LYS 44 -4.961 -8.835 4.145 331 HZ3 LYS 44 2HZ LYS 44 -4.041 -7.730 5.022 332 H GLU 45 H GLU 45 -3.807 -6.706 7.339 333 HA GLU 45 HA GLU 45 -4.011 -6.322 10.108 334 HB2 GLU 45 1HB GLU 45 -5.163 -8.745 8.674 335 HB3 GLU 45 2HB GLU 45 -5.806 -7.917 10.081 336 HG2 GLU 45 1HG GLU 45 -7.289 -7.322 8.387 337 HG3 GLU 45 2HG GLU 45 -6.217 -5.927 8.456 338 H ASP 46 H ASP 46 -2.478 -8.715 8.107 339 HA ASP 46 HA ASP 46 -1.942 -10.818 9.867 340 HB2 ASP 46 1HB ASP 46 -0.181 -9.893 7.555 341 HB3 ASP 46 2HB ASP 46 -0.255 -11.520 8.228 342 H GLY 47 H GLY 47 -0.469 -7.685 9.642 343 HA2 GLY 47 1HA GLY 47 1.053 -6.715 11.132 344 HA3 GLY 47 2HA GLY 47 1.520 -8.305 11.720 345 H LEU 48 H LEU 48 1.565 -8.890 8.606 346 HA LEU 48 HA LEU 48 4.383 -8.593 8.203 347 HB2 LEU 48 1HB LEU 48 2.188 -9.366 6.232 348 HB3 LEU 48 2HB LEU 48 3.916 -9.540 5.949 349 HG LEU 48 HG LEU 48 2.291 -11.053 8.036 350 HD11 LEU 48 1HD1 LEU 48 3.545 -12.038 5.450 351 HD12 LEU 48 2HD1 LEU 48 1.822 -11.814 5.759 352 HD13 LEU 48 3HD1 LEU 48 2.718 -13.039 6.651 353 HD21 LEU 48 3HD2 LEU 48 4.563 -10.663 8.863 354 HD22 LEU 48 1HD2 LEU 48 5.248 -11.309 7.368 355 HD23 LEU 48 2HD2 LEU 48 4.337 -12.360 8.456 356 H ARG 49 H ARG 49 5.423 -6.997 7.219 357 HA ARG 49 HA ARG 49 3.937 -4.834 5.849 358 HB2 ARG 49 1HB ARG 49 5.724 -3.291 6.644 359 HB3 ARG 49 2HB ARG 49 4.821 -4.019 7.969 360 HG2 ARG 49 1HG ARG 49 6.686 -5.631 8.332 361 HG3 ARG 49 2HG ARG 49 7.595 -4.843 7.036 362 HD2 ARG 49 1HD ARG 49 8.267 -4.096 9.327 363 HD3 ARG 49 2HD ARG 49 7.708 -2.773 8.294 364 HE ARG 49 HE ARG 49 5.555 -3.831 9.823 365 HH11 ARG 49 1HH1 ARG 49 8.403 -1.824 10.244 366 HH12 ARG 49 2HH1 ARG 49 7.700 -0.891 11.520 367 HH21 ARG 49 1HH2 ARG 49 4.636 -2.564 11.445 368 HH22 ARG 49 2HH2 ARG 49 5.562 -1.297 12.184 369 H GLY 50 H GLY 50 5.175 -3.686 4.231 370 HA2 GLY 50 1HA GLY 50 7.569 -4.682 3.063 371 HA3 GLY 50 2HA GLY 50 6.158 -5.288 2.194 372 H TRP 51 H TRP 51 8.170 -3.545 1.177 373 HA TRP 51 HA TRP 51 7.236 -0.853 1.052 374 HB2 TRP 51 1HB TRP 51 8.906 -0.711 -0.912 375 HB3 TRP 51 2HB TRP 51 9.568 -1.132 0.661 376 HD1 TRP 51 HD1 TRP 51 10.765 -3.477 0.905 377 HE1 TRP 51 HE1 TRP 51 11.404 -5.336 -0.744 378 HE3 TRP 51 HE3 TRP 51 8.068 -1.939 -3.188 379 HZ2 TRP 51 HZ2 TRP 51 10.846 -6.077 -3.396 380 HZ3 TRP 51 HZ3 TRP 51 8.176 -3.296 -5.241 381 HH2 TRP 51 HH2 TRP 51 9.541 -5.323 -5.338 382 H PHE 52 H PHE 52 6.326 0.226 -0.723 383 HA PHE 52 HA PHE 52 5.052 -1.355 -2.851 384 HB2 PHE 52 1HB PHE 52 3.668 0.698 -1.062 385 HB3 PHE 52 2HB PHE 52 3.032 0.263 -2.645 386 HD1 PHE 52 HD1 PHE 52 2.329 -2.117 -3.083 387 HD2 PHE 52 HD2 PHE 52 3.279 -0.714 0.837 388 HE1 PHE 52 HE1 PHE 52 1.148 -4.039 -2.104 389 HE2 PHE 52 HE2 PHE 52 2.100 -2.635 1.805 390 HZ PHE 52 HZ PHE 52 1.035 -4.303 0.340 391 HA PRO 53 HA PRO 53 6.770 2.045 -5.321 392 HB2 PRO 53 1HB PRO 53 5.083 1.083 -7.557 393 HB3 PRO 53 2HB PRO 53 6.843 1.093 -7.420 394 HG2 PRO 53 1HG PRO 53 5.400 -1.209 -7.357 395 HG3 PRO 53 2HG PRO 53 6.918 -1.012 -6.456 396 HD2 PRO 53 1HD PRO 53 4.082 -0.817 -5.447 397 HD3 PRO 53 2HD PRO 53 5.489 -1.623 -4.710 398 H ALA 54 H ALA 54 5.987 4.009 -4.846 399 HA ALA 54 HA ALA 54 3.255 4.604 -4.347 400 HB1 ALA 54 3HB ALA 54 5.105 5.751 -3.187 401 HB2 ALA 54 1HB ALA 54 4.021 6.908 -3.962 402 HB3 ALA 54 2HB ALA 54 5.581 6.529 -4.696 403 H SER 55 H SER 55 5.302 5.042 -7.204 404 HA SER 55 HA SER 55 3.520 6.797 -8.622 405 HB2 SER 55 1HB SER 55 5.964 6.700 -9.107 406 HB3 SER 55 2HB SER 55 5.766 5.059 -9.723 407 HG SER 55 HG SER 55 4.113 6.181 -11.169 408 H TYR 56 H TYR 56 3.507 3.429 -8.028 409 HA TYR 56 HA TYR 56 2.245 2.501 -10.443 410 HB2 TYR 56 1HB TYR 56 3.724 1.137 -8.871 411 HB3 TYR 56 2HB TYR 56 2.389 1.115 -7.728 412 HD1 TYR 56 HD2 TYR 56 3.143 0.289 -11.309 413 HD2 TYR 56 HD1 TYR 56 0.934 -0.756 -7.806 414 HE1 TYR 56 HE2 TYR 56 2.325 -1.728 -12.438 415 HE2 TYR 56 HE1 TYR 56 0.111 -2.783 -8.936 416 HH TYR 56 HH TYR 56 -0.245 -3.512 -11.355 417 H VAL 57 H VAL 57 1.201 3.596 -7.263 418 HA VAL 57 HA VAL 57 -1.661 3.162 -7.942 419 HB VAL 57 HB VAL 57 -2.090 3.231 -5.468 420 HG11 VAL 57 1HG1 VAL 57 -1.227 0.958 -4.958 421 HG12 VAL 57 2HG1 VAL 57 -0.139 1.059 -6.346 422 HG13 VAL 57 3HG1 VAL 57 -1.887 1.051 -6.593 423 HG21 VAL 57 3HG2 VAL 57 -0.114 4.536 -4.764 424 HG22 VAL 57 1HG2 VAL 57 0.949 3.200 -5.211 425 HG23 VAL 57 2HG2 VAL 57 -0.192 3.014 -3.874 426 H GLN 58 H GLN 58 -3.162 4.839 -6.936 427 HA GLN 58 HA GLN 58 -2.196 7.528 -7.499 428 HB2 GLN 58 1HB GLN 58 -4.455 6.780 -8.272 429 HB3 GLN 58 2HB GLN 58 -4.961 6.601 -6.595 430 HG2 GLN 58 1HG GLN 58 -4.671 9.015 -6.237 431 HG3 GLN 58 2HG GLN 58 -4.115 9.208 -7.899 432 HE21 GLN 58 2HE2 GLN 58 -5.642 8.875 -9.614 433 HE22 GLN 58 1HE2 GLN 58 -7.336 9.049 -9.329 434 H LEU 59 H LEU 59 -1.510 8.942 -5.962 435 HA LEU 59 HA LEU 59 -1.370 8.047 -3.192 436 HB2 LEU 59 1HB LEU 59 -0.236 10.565 -4.480 437 HB3 LEU 59 2HB LEU 59 0.170 9.938 -2.885 438 HG LEU 59 HG LEU 59 0.828 8.642 -5.562 439 HD11 LEU 59 1HD1 LEU 59 3.165 9.017 -4.941 440 HD12 LEU 59 2HD1 LEU 59 2.659 9.817 -3.449 441 HD13 LEU 59 3HD1 LEU 59 2.275 10.537 -5.015 442 HD21 LEU 59 3HD2 LEU 59 1.347 7.575 -2.764 443 HD22 LEU 59 1HD2 LEU 59 2.015 6.904 -4.255 444 HD23 LEU 59 2HD2 LEU 59 0.278 6.878 -3.984 445 H LEU 60 H LEU 60 -2.309 9.031 -1.455 446 HA LEU 60 HA LEU 60 -4.372 11.108 -1.942 447 HB2 LEU 60 1HB LEU 60 -4.251 8.920 0.168 448 HB3 LEU 60 2HB LEU 60 -5.467 10.187 0.129 449 HG LEU 60 HG LEU 60 -5.074 8.053 -2.005 450 HD11 LEU 60 1HD1 LEU 60 -7.278 8.316 0.067 451 HD12 LEU 60 2HD1 LEU 60 -5.998 7.099 0.053 452 HD13 LEU 60 3HD1 LEU 60 -7.202 7.120 -1.232 453 HD21 LEU 60 3HD2 LEU 60 -7.167 10.248 -1.795 454 HD22 LEU 60 1HD2 LEU 60 -7.202 8.919 -2.957 455 HD23 LEU 60 2HD2 LEU 60 -5.902 10.103 -3.018 Start of MODEL 9 1 H1 MET 1 1H MET 1 2.392 10.725 13.526 2 H2 MET 1 2H MET 1 2.026 12.369 13.648 3 H3 MET 1 3H MET 1 3.509 11.883 13.003 4 HA MET 1 HA MET 1 1.988 12.611 11.277 5 HB2 MET 1 1HB MET 1 3.686 10.873 10.745 6 HB3 MET 1 2HB MET 1 2.584 9.613 11.274 7 HG2 MET 1 1HG MET 1 1.065 10.167 9.408 8 HG3 MET 1 2HG MET 1 2.177 11.427 8.880 9 HE1 MET 1 3HE MET 1 3.048 7.758 10.223 10 HE2 MET 1 1HE MET 1 3.122 6.893 8.691 11 HE3 MET 1 2HE MET 1 1.584 7.548 9.258 12 H SER 2 H SER 2 -0.112 12.701 10.543 13 HA SER 2 HA SER 2 -2.287 11.673 12.037 14 HB2 SER 2 1HB SER 2 -3.678 12.528 10.115 15 HB3 SER 2 2HB SER 2 -2.516 13.716 10.704 16 HG SER 2 HG SER 2 -1.603 13.712 8.817 17 H GLY 3 H GLY 3 -0.832 10.707 8.968 18 HA2 GLY 3 1HA GLY 3 -0.634 8.103 9.012 19 HA3 GLY 3 2HA GLY 3 -2.379 8.212 8.827 20 H ALA 4 H ALA 4 0.714 8.634 7.275 21 HA ALA 4 HA ALA 4 -0.210 9.630 4.750 22 HB1 ALA 4 3HB ALA 4 2.282 7.996 5.396 23 HB2 ALA 4 1HB ALA 4 2.170 9.759 5.417 24 HB3 ALA 4 2HB ALA 4 1.989 8.881 3.898 25 H ARG 5 H ARG 5 -1.896 8.495 3.888 26 HA ARG 5 HA ARG 5 -1.686 5.551 3.595 27 HB2 ARG 5 1HB ARG 5 -4.229 7.227 3.774 28 HB3 ARG 5 2HB ARG 5 -4.152 5.471 3.625 29 HG2 ARG 5 1HG ARG 5 -3.185 5.284 5.860 30 HG3 ARG 5 2HG ARG 5 -3.088 7.044 6.000 31 HD2 ARG 5 1HD ARG 5 -5.603 7.121 5.784 32 HD3 ARG 5 2HD ARG 5 -5.611 5.354 5.860 33 HE ARG 5 HE ARG 5 -4.194 6.264 8.077 34 HH11 ARG 5 1HH1 ARG 5 -7.501 6.469 6.900 35 HH12 ARG 5 2HH1 ARG 5 -8.173 6.622 8.491 36 HH21 ARG 5 1HH2 ARG 5 -5.091 6.478 10.146 37 HH22 ARG 5 2HH2 ARG 5 -6.811 6.626 10.326 38 H CYS 6 H CYS 6 -2.545 4.660 1.694 39 HA CYS 6 HA CYS 6 -3.164 6.395 -0.596 40 HB2 CYS 6 1HB CYS 6 -1.125 4.113 -0.648 41 HB3 CYS 6 2HB CYS 6 -1.670 5.031 -2.053 42 HG CYS 6 HG CYS 6 -0.652 7.312 -0.080 43 H ARG 7 H ARG 7 -4.399 5.264 -2.214 44 HA ARG 7 HA ARG 7 -5.783 2.822 -1.280 45 HB2 ARG 7 1HB ARG 7 -7.113 4.945 -1.723 46 HB3 ARG 7 2HB ARG 7 -6.673 4.807 -3.421 47 HG2 ARG 7 1HG ARG 7 -7.870 2.653 -3.559 48 HG3 ARG 7 2HG ARG 7 -8.254 2.756 -1.837 49 HD2 ARG 7 1HD ARG 7 -9.451 4.966 -2.385 50 HD3 ARG 7 2HD ARG 7 -9.278 4.515 -4.083 51 HE ARG 7 HE ARG 7 -10.883 2.872 -3.818 52 HH11 ARG 7 1HH1 ARG 7 -10.095 4.205 -0.647 53 HH12 ARG 7 2HH1 ARG 7 -11.440 3.448 0.137 54 HH21 ARG 7 1HH2 ARG 7 -12.655 1.904 -2.748 55 HH22 ARG 7 2HH2 ARG 7 -12.885 2.161 -1.050 56 H THR 8 H THR 8 -6.027 1.071 -2.746 57 HA THR 8 HA THR 8 -3.958 0.889 -4.812 58 HB THR 8 HB THR 8 -4.562 -1.550 -4.833 59 HG1 THR 8 HG1 THR 8 -5.975 -2.198 -3.035 60 HG21 THR 8 3HG2 THR 8 -2.794 -0.742 -3.297 61 HG22 THR 8 1HG2 THR 8 -3.698 -2.070 -2.570 62 HG23 THR 8 2HG2 THR 8 -4.011 -0.410 -2.060 63 H LEU 9 H LEU 9 -4.348 0.932 -6.917 64 HA LEU 9 HA LEU 9 -6.766 1.830 -8.046 65 HB2 LEU 9 1HB LEU 9 -4.268 0.624 -9.301 66 HB3 LEU 9 2HB LEU 9 -5.566 1.347 -10.242 67 HG LEU 9 HG LEU 9 -3.983 2.889 -8.141 68 HD11 LEU 9 1HD1 LEU 9 -3.501 2.838 -11.138 69 HD12 LEU 9 2HD1 LEU 9 -2.435 2.176 -9.895 70 HD13 LEU 9 3HD1 LEU 9 -2.718 3.912 -9.974 71 HD21 LEU 9 3HD2 LEU 9 -4.951 4.874 -9.242 72 HD22 LEU 9 1HD2 LEU 9 -6.205 3.807 -8.611 73 HD23 LEU 9 2HD2 LEU 9 -5.857 3.830 -10.342 74 H TYR 10 H TYR 10 -5.083 -1.281 -8.624 75 HA TYR 10 HA TYR 10 -7.679 -2.665 -9.020 76 HB2 TYR 10 1HB TYR 10 -5.174 -2.923 -10.772 77 HB3 TYR 10 2HB TYR 10 -6.587 -3.961 -10.902 78 HD1 TYR 10 HD1 TYR 10 -8.777 -2.997 -11.706 79 HD2 TYR 10 HD2 TYR 10 -5.164 -0.717 -11.777 80 HE1 TYR 10 HE1 TYR 10 -9.829 -1.380 -13.224 81 HE2 TYR 10 HE2 TYR 10 -6.216 0.904 -13.297 82 HH TYR 10 HH TYR 10 -9.539 1.048 -13.805 83 HA PRO 11 HA PRO 11 -5.797 -5.711 -6.285 84 HB2 PRO 11 1HB PRO 11 -6.990 -8.049 -7.009 85 HB3 PRO 11 2HB PRO 11 -7.883 -6.750 -6.201 86 HG2 PRO 11 1HG PRO 11 -7.788 -7.449 -9.134 87 HG3 PRO 11 2HG PRO 11 -9.191 -7.022 -8.130 88 HD2 PRO 11 1HD PRO 11 -7.929 -5.225 -9.781 89 HD3 PRO 11 2HD PRO 11 -8.772 -4.746 -8.299 90 H PHE 12 H PHE 12 -3.644 -5.681 -6.863 91 HA PHE 12 HA PHE 12 -2.689 -7.175 -9.204 92 HB2 PHE 12 1HB PHE 12 -1.124 -5.485 -7.195 93 HB3 PHE 12 2HB PHE 12 -0.491 -6.156 -8.694 94 HD1 PHE 12 HD1 PHE 12 -2.376 -5.517 -10.755 95 HD2 PHE 12 HD2 PHE 12 -1.287 -3.142 -7.370 96 HE1 PHE 12 HE1 PHE 12 -3.011 -3.474 -11.972 97 HE2 PHE 12 HE2 PHE 12 -1.930 -1.107 -8.591 98 HZ PHE 12 HZ PHE 12 -2.791 -1.270 -10.892 99 H SER 13 H SER 13 -2.793 -9.304 -8.768 100 HA SER 13 HA SER 13 -1.856 -10.408 -6.205 101 HB2 SER 13 1HB SER 13 -3.365 -11.743 -8.495 102 HB3 SER 13 2HB SER 13 -2.959 -12.501 -6.950 103 HG SER 13 HG SER 13 -4.238 -10.843 -5.937 104 H GLY 14 H GLY 14 0.307 -9.770 -6.797 105 HA2 GLY 14 1HA GLY 14 1.714 -11.930 -8.261 106 HA3 GLY 14 2HA GLY 14 2.148 -10.242 -8.503 107 H GLU 15 H GLU 15 3.838 -12.335 -7.511 108 HA GLU 15 HA GLU 15 5.265 -12.969 -5.893 109 HB2 GLU 15 1HB GLU 15 4.925 -10.055 -5.111 110 HB3 GLU 15 2HB GLU 15 6.061 -11.119 -4.299 111 HG2 GLU 15 1HG GLU 15 7.193 -9.747 -5.965 112 HG3 GLU 15 2HG GLU 15 7.294 -11.457 -6.379 113 H ARG 16 H ARG 16 3.536 -14.371 -5.240 114 HA ARG 16 HA ARG 16 2.080 -13.871 -2.760 115 HB2 ARG 16 1HB ARG 16 2.279 -16.304 -4.593 116 HB3 ARG 16 2HB ARG 16 1.244 -16.231 -3.167 117 HG2 ARG 16 1HG ARG 16 -0.118 -14.488 -4.148 118 HG3 ARG 16 2HG ARG 16 1.001 -14.303 -5.502 119 HD2 ARG 16 1HD ARG 16 -0.569 -16.840 -4.924 120 HD3 ARG 16 2HD ARG 16 -1.084 -15.586 -6.057 121 HE ARG 16 HE ARG 16 1.569 -16.677 -6.518 122 HH11 ARG 16 1HH1 ARG 16 -1.828 -16.970 -7.342 123 HH12 ARG 16 2HH1 ARG 16 -1.515 -17.728 -8.868 124 HH21 ARG 16 1HH2 ARG 16 1.963 -17.670 -8.524 125 HH22 ARG 16 2HH2 ARG 16 0.629 -18.135 -9.528 126 H HIS 17 H HIS 17 4.896 -13.727 -2.560 127 HA HIS 17 HA HIS 17 5.676 -15.526 -0.530 128 HB2 HIS 17 1HB HIS 17 7.448 -16.756 -1.767 129 HB3 HIS 17 2HB HIS 17 5.863 -17.104 -2.454 130 HD2 HIS 17 HD2 HIS 17 5.388 -15.932 -5.035 131 HE1 HIS 17 HE1 HIS 17 9.470 -15.019 -5.678 132 HE2 HIS 17 HE2 HIS 17 7.192 -15.230 -6.764 133 H GLY 18 H GLY 18 7.871 -15.024 0.214 134 HA2 GLY 18 1HA GLY 18 9.698 -13.718 0.626 135 HA3 GLY 18 2HA GLY 18 9.572 -13.118 -1.022 136 H GLN 19 H GLN 19 9.371 -10.977 -1.111 137 HA GLN 19 HA GLN 19 8.562 -9.431 1.255 138 HB2 GLN 19 1HB GLN 19 9.967 -8.598 -1.314 139 HB3 GLN 19 2HB GLN 19 9.641 -7.525 0.049 140 HG2 GLN 19 1HG GLN 19 11.116 -8.798 1.486 141 HG3 GLN 19 2HG GLN 19 11.319 -10.045 0.255 142 HE21 GLN 19 2HE2 GLN 19 13.546 -9.832 0.230 143 HE22 GLN 19 1HE2 GLN 19 14.347 -8.454 -0.430 144 H GLY 20 H GLY 20 6.864 -10.683 -1.184 145 HA2 GLY 20 1HA GLY 20 5.514 -8.420 -2.341 146 HA3 GLY 20 2HA GLY 20 5.079 -10.113 -2.512 147 H LEU 21 H LEU 21 3.887 -7.276 -1.441 148 HA LEU 21 HA LEU 21 2.170 -8.502 0.630 149 HB2 LEU 21 1HB LEU 21 3.243 -6.408 1.342 150 HB3 LEU 21 2HB LEU 21 2.647 -5.578 -0.082 151 HG LEU 21 HG LEU 21 0.308 -5.831 0.750 152 HD11 LEU 21 1HD1 LEU 21 -0.143 -6.572 3.037 153 HD12 LEU 21 2HD1 LEU 21 1.550 -7.017 3.250 154 HD13 LEU 21 3HD1 LEU 21 0.549 -7.875 2.075 155 HD21 LEU 21 3HD2 LEU 21 2.172 -4.472 2.733 156 HD22 LEU 21 1HD2 LEU 21 0.438 -4.170 2.570 157 HD23 LEU 21 2HD2 LEU 21 1.530 -3.761 1.249 158 H ARG 22 H ARG 22 0.302 -9.252 -0.070 159 HA ARG 22 HA ARG 22 -0.836 -8.548 -2.670 160 HB2 ARG 22 1HB ARG 22 -1.619 -10.609 -0.565 161 HB3 ARG 22 2HB ARG 22 -2.445 -10.417 -2.113 162 HG2 ARG 22 1HG ARG 22 -0.501 -11.153 -3.337 163 HG3 ARG 22 2HG ARG 22 0.516 -11.072 -1.891 164 HD2 ARG 22 1HD ARG 22 -1.827 -12.985 -2.272 165 HD3 ARG 22 2HD ARG 22 -0.125 -13.398 -2.488 166 HE ARG 22 HE ARG 22 0.238 -12.988 -0.122 167 HH11 ARG 22 1HH1 ARG 22 -3.133 -13.280 -1.065 168 HH12 ARG 22 2HH1 ARG 22 -3.666 -13.714 0.525 169 HH21 ARG 22 1HH2 ARG 22 -0.499 -13.550 1.990 170 HH22 ARG 22 2HH2 ARG 22 -2.181 -13.888 2.245 171 H PHE 23 H PHE 23 -2.964 -7.786 -2.927 172 HA PHE 23 HA PHE 23 -4.584 -6.871 -0.727 173 HB2 PHE 23 1HB PHE 23 -4.468 -4.421 -1.501 174 HB3 PHE 23 2HB PHE 23 -3.060 -5.026 -0.642 175 HD1 PHE 23 HD2 PHE 23 -4.334 -4.472 -4.140 176 HD2 PHE 23 HD1 PHE 23 -0.912 -4.722 -1.580 177 HE1 PHE 23 HE2 PHE 23 -2.891 -3.746 -5.984 178 HE2 PHE 23 HE1 PHE 23 0.524 -3.995 -3.442 179 HZ PHE 23 HZ PHE 23 -0.470 -3.505 -5.640 180 H ALA 24 H ALA 24 -6.642 -6.208 -1.363 181 HA ALA 24 HA ALA 24 -7.558 -6.868 -4.067 182 HB1 ALA 24 3HB ALA 24 -8.831 -7.714 -2.130 183 HB2 ALA 24 1HB ALA 24 -9.820 -6.625 -3.105 184 HB3 ALA 24 2HB ALA 24 -9.121 -6.061 -1.583 185 H ALA 25 H ALA 25 -9.214 -5.314 -5.059 186 HA ALA 25 HA ALA 25 -8.164 -2.745 -5.562 187 HB1 ALA 25 3HB ALA 25 -9.673 -3.921 -7.119 188 HB2 ALA 25 1HB ALA 25 -10.273 -2.309 -6.750 189 HB3 ALA 25 2HB ALA 25 -11.010 -3.726 -5.994 190 H GLY 26 H GLY 26 -8.228 -0.936 -4.357 191 HA2 GLY 26 1HA GLY 26 -9.376 0.857 -3.340 192 HA3 GLY 26 2HA GLY 26 -10.628 -0.241 -2.789 193 H GLU 27 H GLU 27 -7.873 -1.832 -2.057 194 HA GLU 27 HA GLU 27 -7.951 -1.596 0.704 195 HB2 GLU 27 1HB GLU 27 -5.797 -2.532 -1.210 196 HB3 GLU 27 2HB GLU 27 -5.420 -2.409 0.505 197 HG2 GLU 27 1HG GLU 27 -7.811 -3.988 -0.459 198 HG3 GLU 27 2HG GLU 27 -6.194 -4.686 -0.435 199 H LEU 28 H LEU 28 -7.528 0.016 2.015 200 HA LEU 28 HA LEU 28 -5.879 2.285 1.260 201 HB2 LEU 28 1HB LEU 28 -7.320 1.647 3.870 202 HB3 LEU 28 2HB LEU 28 -6.547 3.184 3.486 203 HG LEU 28 HG LEU 28 -8.930 2.007 1.983 204 HD11 LEU 28 1HD1 LEU 28 -10.305 3.722 3.046 205 HD12 LEU 28 2HD1 LEU 28 -8.931 4.258 4.015 206 HD13 LEU 28 3HD1 LEU 28 -9.594 2.638 4.240 207 HD21 LEU 28 3HD2 LEU 28 -9.114 4.193 0.875 208 HD22 LEU 28 1HD2 LEU 28 -7.560 3.434 0.529 209 HD23 LEU 28 2HD2 LEU 28 -7.655 4.758 1.695 210 H ILE 29 H ILE 29 -3.807 1.701 1.146 211 HA ILE 29 HA ILE 29 -2.479 0.005 3.108 212 HB ILE 29 HB ILE 29 -1.379 1.371 0.598 213 HG12 ILE 29 1HG1 ILE 29 -3.112 -0.301 0.023 214 HG13 ILE 29 2HG1 ILE 29 -1.527 -0.856 -0.495 215 HG21 ILE 29 1HG2 ILE 29 0.427 0.907 2.187 216 HG22 ILE 29 2HG2 ILE 29 0.553 -0.174 0.801 217 HG23 ILE 29 3HG2 ILE 29 -0.089 -0.777 2.332 218 HD11 ILE 29 3HD1 ILE 29 -2.845 -2.668 0.420 219 HD12 ILE 29 1HD1 ILE 29 -3.031 -1.802 1.944 220 HD13 ILE 29 2HD1 ILE 29 -1.437 -2.367 1.436 221 H THR 30 H THR 30 -1.841 0.944 4.920 222 HA THR 30 HA THR 30 -1.376 3.817 5.116 223 HB THR 30 HB THR 30 -1.389 1.666 7.290 224 HG1 THR 30 HG1 THR 30 -3.419 2.051 6.138 225 HG21 THR 30 3HG2 THR 30 -0.125 3.682 7.984 226 HG22 THR 30 1HG2 THR 30 -1.646 3.558 8.869 227 HG23 THR 30 2HG2 THR 30 -1.492 4.704 7.534 228 H LEU 31 H LEU 31 0.582 4.406 4.416 229 HA LEU 31 HA LEU 31 3.001 2.942 4.549 230 HB2 LEU 31 1HB LEU 31 2.705 5.974 4.392 231 HB3 LEU 31 2HB LEU 31 4.101 5.023 3.891 232 HG LEU 31 HG LEU 31 1.358 4.934 2.547 233 HD11 LEU 31 1HD1 LEU 31 3.893 6.320 1.615 234 HD12 LEU 31 2HD1 LEU 31 2.424 7.104 2.204 235 HD13 LEU 31 3HD1 LEU 31 2.384 6.183 0.704 236 HD21 LEU 31 3HD2 LEU 31 2.499 3.658 0.753 237 HD22 LEU 31 1HD2 LEU 31 2.539 2.806 2.296 238 HD23 LEU 31 2HD2 LEU 31 3.982 3.634 1.710 239 H LEU 32 H LEU 32 4.548 2.837 6.104 240 HA LEU 32 HA LEU 32 3.863 3.517 8.818 241 HB2 LEU 32 1HB LEU 32 6.405 2.342 7.624 242 HB3 LEU 32 2HB LEU 32 6.029 2.398 9.347 243 HG LEU 32 HG LEU 32 4.423 0.850 7.256 244 HD11 LEU 32 1HD1 LEU 32 6.401 -0.199 9.303 245 HD12 LEU 32 2HD1 LEU 32 6.620 -0.150 7.547 246 HD13 LEU 32 3HD1 LEU 32 5.370 -1.174 8.248 247 HD21 LEU 32 3HD2 LEU 32 3.288 -0.177 9.213 248 HD22 LEU 32 1HD2 LEU 32 3.000 1.558 9.106 249 HD23 LEU 32 2HD2 LEU 32 4.149 0.927 10.285 250 H GLN 33 H GLN 33 6.427 4.443 6.551 251 HA GLN 33 HA GLN 33 6.580 7.143 7.693 252 HB2 GLN 33 1HB GLN 33 9.012 5.358 7.161 253 HB3 GLN 33 2HB GLN 33 9.098 7.088 7.498 254 HG2 GLN 33 1HG GLN 33 8.156 6.696 9.743 255 HG3 GLN 33 2HG GLN 33 8.048 4.971 9.404 256 HE21 GLN 33 2HE2 GLN 33 9.960 3.742 9.308 257 HE22 GLN 33 1HE2 GLN 33 11.437 4.310 10.006 258 H VAL 34 H VAL 34 7.455 8.667 6.144 259 HA VAL 34 HA VAL 34 7.630 7.707 3.346 260 HB VAL 34 HB VAL 34 6.904 10.084 2.665 261 HG11 VAL 34 1HG1 VAL 34 4.824 8.333 4.048 262 HG12 VAL 34 2HG1 VAL 34 5.408 8.145 2.393 263 HG13 VAL 34 3HG1 VAL 34 4.482 9.578 2.839 264 HG21 VAL 34 3HG2 VAL 34 7.195 11.218 4.849 265 HG22 VAL 34 1HG2 VAL 34 5.907 10.231 5.546 266 HG23 VAL 34 2HG2 VAL 34 5.538 11.396 4.269 267 HA PRO 35 HA PRO 35 11.810 9.465 4.366 268 HB2 PRO 35 1HB PRO 35 12.830 7.235 2.689 269 HB3 PRO 35 2HB PRO 35 13.208 7.629 4.371 270 HG2 PRO 35 1HG PRO 35 11.741 5.448 3.714 271 HG3 PRO 35 2HG PRO 35 11.448 6.361 5.211 272 HD2 PRO 35 1HD PRO 35 9.959 6.523 2.576 273 HD3 PRO 35 2HD PRO 35 9.308 6.406 4.230 274 H ASP 36 H ASP 36 13.549 10.103 2.757 275 HA ASP 36 HA ASP 36 12.322 11.643 0.688 276 HB2 ASP 36 1HB ASP 36 14.232 12.510 2.029 277 HB3 ASP 36 2HB ASP 36 15.283 11.262 1.355 278 H GLY 37 H GLY 37 11.501 10.336 -0.905 279 HA2 GLY 37 1HA GLY 37 12.771 9.751 -3.193 280 HA3 GLY 37 2HA GLY 37 13.089 8.294 -2.253 281 H GLY 38 H GLY 38 11.785 7.848 -4.473 282 HA2 GLY 38 1HA GLY 38 8.874 7.972 -4.131 283 HA3 GLY 38 2HA GLY 38 9.758 7.465 -5.561 284 H TRP 39 H TRP 39 10.590 6.166 -2.446 285 HA TRP 39 HA TRP 39 9.166 3.614 -2.956 286 HB2 TRP 39 1HB TRP 39 12.025 4.027 -1.938 287 HB3 TRP 39 2HB TRP 39 11.167 2.495 -1.810 288 HD1 TRP 39 HD1 TRP 39 12.765 4.807 -4.449 289 HE1 TRP 39 HE1 TRP 39 13.200 3.426 -6.571 290 HE3 TRP 39 HE3 TRP 39 10.431 0.459 -3.084 291 HZ2 TRP 39 HZ2 TRP 39 12.642 0.841 -7.544 292 HZ3 TRP 39 HZ3 TRP 39 10.437 -1.429 -4.670 293 HH2 TRP 39 HH2 TRP 39 11.521 -1.239 -6.858 294 H TRP 40 H TRP 40 7.697 3.381 -1.365 295 HA TRP 40 HA TRP 40 8.372 4.181 1.411 296 HB2 TRP 40 1HB TRP 40 5.633 4.489 0.083 297 HB3 TRP 40 2HB TRP 40 6.023 4.891 1.753 298 HD1 TRP 40 HD1 TRP 40 8.579 6.687 1.410 299 HE1 TRP 40 HE1 TRP 40 8.430 8.984 0.271 300 HE3 TRP 40 HE3 TRP 40 4.269 5.987 -1.259 301 HZ2 TRP 40 HZ2 TRP 40 6.717 10.330 -1.516 302 HZ3 TRP 40 HZ3 TRP 40 3.433 7.837 -2.658 303 HH2 TRP 40 HH2 TRP 40 4.634 9.968 -2.782 304 H GLU 41 H GLU 41 7.853 2.692 2.950 305 HA GLU 41 HA GLU 41 6.827 0.089 2.083 306 HB2 GLU 41 1HB GLU 41 8.859 0.089 3.477 307 HB3 GLU 41 2HB GLU 41 8.022 0.986 4.743 308 HG2 GLU 41 1HG GLU 41 6.502 -0.918 5.107 309 HG3 GLU 41 2HG GLU 41 7.285 -1.807 3.799 310 H GLY 42 H GLY 42 4.750 -0.315 2.248 311 HA2 GLY 42 1HA GLY 42 3.027 1.170 4.144 312 HA3 GLY 42 2HA GLY 42 2.511 0.485 2.611 313 H GLU 43 H GLU 43 1.900 0.060 5.616 314 HA GLU 43 HA GLU 43 2.111 -2.877 5.679 315 HB2 GLU 43 1HB GLU 43 2.984 -1.538 7.618 316 HB3 GLU 43 2HB GLU 43 1.351 -0.956 7.920 317 HG2 GLU 43 1HG GLU 43 0.603 -3.219 8.447 318 HG3 GLU 43 2HG GLU 43 2.175 -3.881 8.006 319 H LYS 44 H LYS 44 0.369 -4.104 5.765 320 HA LYS 44 HA LYS 44 -2.271 -3.004 5.129 321 HB2 LYS 44 1HB LYS 44 -1.247 -4.774 3.722 322 HB3 LYS 44 2HB LYS 44 -1.141 -5.843 5.115 323 HG2 LYS 44 1HG LYS 44 -3.602 -5.960 5.217 324 HG3 LYS 44 2HG LYS 44 -3.716 -4.837 3.853 325 HD2 LYS 44 1HD LYS 44 -2.609 -6.451 2.380 326 HD3 LYS 44 2HD LYS 44 -2.345 -7.556 3.732 327 HE2 LYS 44 1HE LYS 44 -4.749 -7.937 3.931 328 HE3 LYS 44 2HE LYS 44 -5.076 -6.730 2.684 329 HZ1 LYS 44 3HZ LYS 44 -5.182 -8.911 1.750 330 HZ2 LYS 44 1HZ LYS 44 -3.632 -9.296 2.314 331 HZ3 LYS 44 2HZ LYS 44 -3.830 -8.116 1.124 332 H GLU 45 H GLU 45 -4.167 -3.841 6.293 333 HA GLU 45 HA GLU 45 -4.145 -3.784 9.092 334 HB2 GLU 45 1HB GLU 45 -6.490 -4.648 8.903 335 HB3 GLU 45 2HB GLU 45 -6.150 -3.346 7.767 336 HG2 GLU 45 1HG GLU 45 -5.806 -5.043 5.965 337 HG3 GLU 45 2HG GLU 45 -6.250 -6.312 7.102 338 H ASP 46 H ASP 46 -3.592 -6.424 6.926 339 HA ASP 46 HA ASP 46 -3.931 -8.699 8.507 340 HB2 ASP 46 1HB ASP 46 -3.653 -8.872 6.116 341 HB3 ASP 46 2HB ASP 46 -2.096 -8.052 6.163 342 H GLY 47 H GLY 47 -1.221 -6.435 8.292 343 HA2 GLY 47 1HA GLY 47 0.219 -6.084 10.220 344 HA3 GLY 47 2HA GLY 47 0.181 -7.810 10.527 345 H LEU 48 H LEU 48 0.451 -8.214 7.472 346 HA LEU 48 HA LEU 48 3.337 -8.162 7.313 347 HB2 LEU 48 1HB LEU 48 1.751 -9.906 6.225 348 HB3 LEU 48 2HB LEU 48 1.440 -8.711 4.989 349 HG LEU 48 HG LEU 48 3.138 -10.545 4.425 350 HD11 LEU 48 1HD1 LEU 48 4.123 -7.702 4.085 351 HD12 LEU 48 2HD1 LEU 48 2.991 -8.555 3.035 352 HD13 LEU 48 3HD1 LEU 48 4.657 -9.111 3.159 353 HD21 LEU 48 3HD2 LEU 48 5.439 -10.318 5.221 354 HD22 LEU 48 1HD2 LEU 48 4.330 -10.598 6.565 355 HD23 LEU 48 2HD2 LEU 48 4.968 -8.977 6.269 356 H ARG 49 H ARG 49 4.582 -6.698 6.339 357 HA ARG 49 HA ARG 49 3.376 -4.337 5.014 358 HB2 ARG 49 1HB ARG 49 5.311 -3.032 5.973 359 HB3 ARG 49 2HB ARG 49 4.203 -3.659 7.191 360 HG2 ARG 49 1HG ARG 49 5.775 -5.484 7.707 361 HG3 ARG 49 2HG ARG 49 6.883 -4.889 6.466 362 HD2 ARG 49 1HD ARG 49 7.149 -2.780 7.706 363 HD3 ARG 49 2HD ARG 49 6.022 -3.353 8.941 364 HE ARG 49 HE ARG 49 7.770 -5.242 9.209 365 HH11 ARG 49 1HH1 ARG 49 8.623 -1.932 8.366 366 HH12 ARG 49 2HH1 ARG 49 10.111 -1.968 9.253 367 HH21 ARG 49 1HH2 ARG 49 9.722 -5.254 10.381 368 HH22 ARG 49 2HH2 ARG 49 10.718 -3.834 10.404 369 H GLY 50 H GLY 50 4.319 -3.685 3.102 370 HA2 GLY 50 1HA GLY 50 6.759 -5.089 2.150 371 HA3 GLY 50 2HA GLY 50 5.322 -4.960 1.139 372 H TRP 51 H TRP 51 8.059 -3.959 0.801 373 HA TRP 51 HA TRP 51 7.841 -1.072 0.655 374 HB2 TRP 51 1HB TRP 51 9.947 -3.124 -0.121 375 HB3 TRP 51 2HB TRP 51 10.036 -1.510 -0.813 376 HD1 TRP 51 HD1 TRP 51 10.510 -3.336 2.537 377 HE1 TRP 51 HE1 TRP 51 11.693 -1.720 4.153 378 HE3 TRP 51 HE3 TRP 51 10.263 0.914 -0.277 379 HZ2 TRP 51 HZ2 TRP 51 12.422 1.013 4.234 380 HZ3 TRP 51 HZ3 TRP 51 11.227 2.998 0.640 381 HH2 TRP 51 HH2 TRP 51 12.279 3.044 2.850 382 H PHE 52 H PHE 52 7.018 0.037 -1.041 383 HA PHE 52 HA PHE 52 6.934 -1.202 -3.700 384 HB2 PHE 52 1HB PHE 52 4.496 0.012 -2.307 385 HB3 PHE 52 2HB PHE 52 4.560 -0.271 -4.041 386 HD1 PHE 52 HD1 PHE 52 5.571 -2.857 -4.498 387 HD2 PHE 52 HD2 PHE 52 3.137 -1.561 -1.228 388 HE1 PHE 52 HE1 PHE 52 4.738 -5.153 -4.203 389 HE2 PHE 52 HE2 PHE 52 2.314 -3.858 -0.940 390 HZ PHE 52 HZ PHE 52 3.111 -5.654 -2.423 391 HA PRO 53 HA PRO 53 8.014 2.953 -5.181 392 HB2 PRO 53 1HB PRO 53 6.504 2.221 -7.671 393 HB3 PRO 53 2HB PRO 53 8.194 2.710 -7.484 394 HG2 PRO 53 1HG PRO 53 7.561 0.167 -8.033 395 HG3 PRO 53 2HG PRO 53 8.897 0.550 -6.924 396 HD2 PRO 53 1HD PRO 53 6.067 -0.288 -6.261 397 HD3 PRO 53 2HD PRO 53 7.603 -0.864 -5.570 398 H ALA 54 H ALA 54 6.955 4.933 -5.811 399 HA ALA 54 HA ALA 54 4.553 5.453 -4.388 400 HB1 ALA 54 3HB ALA 54 6.368 7.114 -4.607 401 HB2 ALA 54 1HB ALA 54 4.838 7.776 -5.189 402 HB3 ALA 54 2HB ALA 54 6.065 7.237 -6.341 403 H SER 55 H SER 55 5.273 4.988 -7.811 404 HA SER 55 HA SER 55 2.712 5.908 -8.808 405 HB2 SER 55 1HB SER 55 4.818 6.199 -10.118 406 HB3 SER 55 2HB SER 55 4.966 4.449 -10.263 407 HG SER 55 HG SER 55 2.526 5.162 -11.100 408 H TYR 56 H TYR 56 3.863 2.954 -7.520 409 HA TYR 56 HA TYR 56 2.280 1.080 -9.013 410 HB2 TYR 56 1HB TYR 56 4.372 0.490 -7.772 411 HB3 TYR 56 2HB TYR 56 3.553 0.809 -6.249 412 HD1 TYR 56 HD2 TYR 56 3.323 -1.361 -9.313 413 HD2 TYR 56 HD1 TYR 56 2.431 -0.991 -5.147 414 HE1 TYR 56 HE2 TYR 56 2.584 -3.704 -9.259 415 HE2 TYR 56 HE1 TYR 56 1.690 -3.330 -5.100 416 HH TYR 56 HH TYR 56 0.903 -5.044 -6.573 417 H VAL 57 H VAL 57 1.778 3.114 -6.230 418 HA VAL 57 HA VAL 57 -0.966 2.077 -5.803 419 HB VAL 57 HB VAL 57 -0.859 3.114 -3.526 420 HG11 VAL 57 1HG1 VAL 57 0.640 1.434 -2.478 421 HG12 VAL 57 2HG1 VAL 57 1.365 1.095 -4.051 422 HG13 VAL 57 3HG1 VAL 57 -0.337 0.717 -3.766 423 HG21 VAL 57 3HG2 VAL 57 0.817 4.883 -3.961 424 HG22 VAL 57 1HG2 VAL 57 2.077 3.663 -4.171 425 HG23 VAL 57 2HG2 VAL 57 1.318 3.889 -2.591 426 H GLN 58 H GLN 58 -2.416 3.913 -4.906 427 HA GLN 58 HA GLN 58 -2.144 6.339 -6.596 428 HB2 GLN 58 1HB GLN 58 -4.020 4.859 -7.244 429 HB3 GLN 58 2HB GLN 58 -4.645 4.890 -5.608 430 HG2 GLN 58 1HG GLN 58 -5.960 6.315 -7.099 431 HG3 GLN 58 2HG GLN 58 -5.189 7.264 -5.827 432 HE21 GLN 58 2HE2 GLN 58 -3.684 8.808 -6.383 433 HE22 GLN 58 1HE2 GLN 58 -3.343 9.263 -8.014 434 H LEU 59 H LEU 59 -1.918 8.195 -5.498 435 HA LEU 59 HA LEU 59 -2.037 8.399 -2.651 436 HB2 LEU 59 1HB LEU 59 -1.937 10.630 -4.732 437 HB3 LEU 59 2HB LEU 59 -1.552 10.793 -3.022 438 HG LEU 59 HG LEU 59 0.039 9.146 -5.046 439 HD11 LEU 59 1HD1 LEU 59 0.319 11.546 -5.413 440 HD12 LEU 59 2HD1 LEU 59 1.800 10.834 -4.782 441 HD13 LEU 59 3HD1 LEU 59 0.755 11.782 -3.718 442 HD21 LEU 59 3HD2 LEU 59 0.622 9.644 -2.098 443 HD22 LEU 59 1HD2 LEU 59 1.696 8.827 -3.239 444 HD23 LEU 59 2HD2 LEU 59 0.143 8.109 -2.825 445 H LEU 60 H LEU 60 -3.630 9.320 -1.337 446 HA LEU 60 HA LEU 60 -6.334 9.159 -2.194 447 HB2 LEU 60 1HB LEU 60 -5.125 10.261 0.367 448 HB3 LEU 60 2HB LEU 60 -6.855 10.104 0.105 449 HG LEU 60 HG LEU 60 -4.852 7.806 0.247 450 HD11 LEU 60 1HD1 LEU 60 -6.034 7.179 2.313 451 HD12 LEU 60 2HD1 LEU 60 -7.046 8.619 2.184 452 HD13 LEU 60 3HD1 LEU 60 -5.307 8.779 2.441 453 HD21 LEU 60 3HD2 LEU 60 -6.805 6.302 0.113 454 HD22 LEU 60 1HD2 LEU 60 -6.614 7.255 -1.358 455 HD23 LEU 60 2HD2 LEU 60 -7.860 7.688 -0.183 Start of MODEL 10 1 H1 MET 1 1H MET 1 -0.687 7.924 12.697 2 H2 MET 1 2H MET 1 -1.103 7.560 14.291 3 H3 MET 1 3H MET 1 -1.703 8.959 13.563 4 HA MET 1 HA MET 1 -2.316 6.183 12.764 5 HB2 MET 1 1HB MET 1 -4.584 6.600 13.645 6 HB3 MET 1 2HB MET 1 -3.386 6.832 14.911 7 HG2 MET 1 1HG MET 1 -4.771 9.046 13.369 8 HG3 MET 1 2HG MET 1 -5.153 8.541 15.018 9 HE1 MET 1 3HE MET 1 -4.467 11.612 14.125 10 HE2 MET 1 1HE MET 1 -3.458 12.095 15.487 11 HE3 MET 1 2HE MET 1 -4.917 11.142 15.766 12 H SER 2 H SER 2 -2.532 9.631 12.082 13 HA SER 2 HA SER 2 -4.124 9.164 9.631 14 HB2 SER 2 1HB SER 2 -4.649 11.625 9.862 15 HB3 SER 2 2HB SER 2 -5.210 10.655 11.227 16 HG SER 2 HG SER 2 -4.101 12.642 11.777 17 H GLY 3 H GLY 3 -3.635 11.013 7.948 18 HA2 GLY 3 1HA GLY 3 -2.175 12.419 6.780 19 HA3 GLY 3 2HA GLY 3 -0.853 11.929 7.824 20 H ALA 4 H ALA 4 -0.400 9.458 7.595 21 HA ALA 4 HA ALA 4 0.564 9.119 4.894 22 HB1 ALA 4 3HB ALA 4 1.997 8.641 6.825 23 HB2 ALA 4 1HB ALA 4 1.786 7.205 5.820 24 HB3 ALA 4 2HB ALA 4 0.900 7.358 7.338 25 H ARG 5 H ARG 5 -1.450 8.868 3.789 26 HA ARG 5 HA ARG 5 -2.567 6.115 3.857 27 HB2 ARG 5 1HB ARG 5 -4.075 8.690 3.203 28 HB3 ARG 5 2HB ARG 5 -4.740 7.065 3.071 29 HG2 ARG 5 1HG ARG 5 -4.623 6.796 5.501 30 HG3 ARG 5 2HG ARG 5 -3.866 8.387 5.669 31 HD2 ARG 5 1HD ARG 5 -6.647 7.885 4.518 32 HD3 ARG 5 2HD ARG 5 -6.316 8.399 6.176 33 HE ARG 5 HE ARG 5 -5.066 10.261 4.543 34 HH11 ARG 5 1HH1 ARG 5 -8.398 9.199 4.918 35 HH12 ARG 5 2HH1 ARG 5 -9.044 10.774 4.603 36 HH21 ARG 5 1HH2 ARG 5 -5.923 12.291 4.159 37 HH22 ARG 5 2HH2 ARG 5 -7.639 12.536 4.186 38 H CYS 6 H CYS 6 -2.382 5.071 1.953 39 HA CYS 6 HA CYS 6 -2.781 6.546 -0.562 40 HB2 CYS 6 1HB CYS 6 -0.578 4.503 -0.076 41 HB3 CYS 6 2HB CYS 6 -1.134 4.961 -1.686 42 HG CYS 6 HG CYS 6 -0.134 7.422 0.387 43 H ARG 7 H ARG 7 -3.973 5.369 -2.079 44 HA ARG 7 HA ARG 7 -5.248 2.904 -1.095 45 HB2 ARG 7 1HB ARG 7 -6.779 4.813 -1.610 46 HB3 ARG 7 2HB ARG 7 -6.204 4.813 -3.278 47 HG2 ARG 7 1HG ARG 7 -7.071 2.504 -3.578 48 HG3 ARG 7 2HG ARG 7 -7.636 2.501 -1.908 49 HD2 ARG 7 1HD ARG 7 -9.496 2.907 -3.403 50 HD3 ARG 7 2HD ARG 7 -9.183 4.365 -2.460 51 HE ARG 7 HE ARG 7 -7.780 4.873 -4.668 52 HH11 ARG 7 1HH1 ARG 7 -11.073 3.669 -4.378 53 HH12 ARG 7 2HH1 ARG 7 -11.604 4.452 -5.830 54 HH21 ARG 7 1HH2 ARG 7 -8.482 5.878 -6.551 55 HH22 ARG 7 2HH2 ARG 7 -10.125 5.690 -7.080 56 H THR 8 H THR 8 -5.122 1.089 -2.222 57 HA THR 8 HA THR 8 -3.157 0.683 -4.232 58 HB THR 8 HB THR 8 -4.098 -1.676 -4.186 59 HG1 THR 8 HG1 THR 8 -5.700 -1.965 -2.401 60 HG21 THR 8 3HG2 THR 8 -2.335 -1.008 -2.572 61 HG22 THR 8 1HG2 THR 8 -3.456 -2.159 -1.848 62 HG23 THR 8 2HG2 THR 8 -3.577 -0.444 -1.448 63 H LEU 9 H LEU 9 -3.391 1.071 -6.338 64 HA LEU 9 HA LEU 9 -5.816 1.916 -7.564 65 HB2 LEU 9 1HB LEU 9 -3.124 1.128 -8.747 66 HB3 LEU 9 2HB LEU 9 -4.423 1.866 -9.676 67 HG LEU 9 HG LEU 9 -3.009 3.187 -7.315 68 HD11 LEU 9 1HD1 LEU 9 -1.957 4.659 -8.972 69 HD12 LEU 9 2HD1 LEU 9 -2.673 3.724 -10.287 70 HD13 LEU 9 3HD1 LEU 9 -1.485 2.979 -9.213 71 HD21 LEU 9 3HD2 LEU 9 -5.328 3.922 -7.547 72 HD22 LEU 9 1HD2 LEU 9 -5.064 4.305 -9.250 73 HD23 LEU 9 2HD2 LEU 9 -4.217 5.212 -7.993 74 H TYR 10 H TYR 10 -3.777 -0.984 -8.122 75 HA TYR 10 HA TYR 10 -6.163 -2.556 -8.903 76 HB2 TYR 10 1HB TYR 10 -3.505 -2.687 -10.434 77 HB3 TYR 10 2HB TYR 10 -5.007 -3.506 -10.848 78 HD1 TYR 10 HD2 TYR 10 -7.045 -2.034 -11.516 79 HD2 TYR 10 HD1 TYR 10 -3.051 -0.520 -11.325 80 HE1 TYR 10 HE2 TYR 10 -7.713 -0.088 -12.870 81 HE2 TYR 10 HE1 TYR 10 -3.717 1.428 -12.667 82 HH TYR 10 HH TYR 10 -6.908 2.316 -13.156 83 HA PRO 11 HA PRO 11 -4.268 -5.495 -6.096 84 HB2 PRO 11 1HB PRO 11 -5.190 -7.915 -6.960 85 HB3 PRO 11 2HB PRO 11 -6.260 -6.705 -6.227 86 HG2 PRO 11 1HG PRO 11 -5.798 -7.307 -9.152 87 HG3 PRO 11 2HG PRO 11 -7.335 -7.061 -8.294 88 HD2 PRO 11 1HD PRO 11 -6.142 -5.081 -9.750 89 HD3 PRO 11 2HD PRO 11 -7.118 -4.739 -8.305 90 H PHE 12 H PHE 12 -2.079 -5.013 -6.760 91 HA PHE 12 HA PHE 12 -0.781 -6.809 -8.678 92 HB2 PHE 12 1HB PHE 12 0.395 -4.555 -6.996 93 HB3 PHE 12 2HB PHE 12 1.257 -5.462 -8.233 94 HD1 PHE 12 HD2 PHE 12 0.225 -5.379 -10.653 95 HD2 PHE 12 HD1 PHE 12 -0.647 -2.515 -7.594 96 HE1 PHE 12 HE2 PHE 12 -0.463 -3.747 -12.368 97 HE2 PHE 12 HE1 PHE 12 -1.331 -0.893 -9.315 98 HZ PHE 12 HZ PHE 12 -1.233 -1.506 -11.701 99 H SER 13 H SER 13 -0.671 -8.787 -7.787 100 HA SER 13 HA SER 13 1.241 -9.298 -5.710 101 HB2 SER 13 1HB SER 13 -0.803 -8.859 -4.309 102 HB3 SER 13 2HB SER 13 -1.651 -10.154 -5.160 103 HG SER 13 HG SER 13 0.766 -10.475 -3.685 104 H GLY 14 H GLY 14 2.207 -10.261 -7.525 105 HA2 GLY 14 1HA GLY 14 1.011 -12.616 -8.780 106 HA3 GLY 14 2HA GLY 14 2.600 -11.945 -9.094 107 H GLU 15 H GLU 15 2.449 -12.034 -5.864 108 HA GLU 15 HA GLU 15 3.381 -14.812 -5.560 109 HB2 GLU 15 1HB GLU 15 5.142 -14.021 -3.990 110 HB3 GLU 15 2HB GLU 15 5.376 -13.429 -5.620 111 HG2 GLU 15 1HG GLU 15 4.240 -11.775 -3.336 112 HG3 GLU 15 2HG GLU 15 5.927 -11.757 -3.854 113 H ARG 16 H ARG 16 1.729 -15.668 -4.514 114 HA ARG 16 HA ARG 16 0.211 -14.480 -2.409 115 HB2 ARG 16 1HB ARG 16 -0.566 -16.906 -2.032 116 HB3 ARG 16 2HB ARG 16 -0.884 -16.216 -3.622 117 HG2 ARG 16 1HG ARG 16 1.114 -17.414 -4.517 118 HG3 ARG 16 2HG ARG 16 1.368 -18.133 -2.926 119 HD2 ARG 16 1HD ARG 16 -0.767 -19.323 -3.086 120 HD3 ARG 16 2HD ARG 16 -1.115 -18.534 -4.634 121 HE ARG 16 HE ARG 16 1.139 -19.660 -5.305 122 HH11 ARG 16 1HH1 ARG 16 -1.348 -21.178 -3.340 123 HH12 ARG 16 2HH1 ARG 16 -0.929 -22.779 -3.850 124 HH21 ARG 16 1HH2 ARG 16 1.652 -21.722 -5.974 125 HH22 ARG 16 2HH2 ARG 16 0.764 -23.081 -5.370 126 H HIS 17 H HIS 17 1.757 -13.626 -1.025 127 HA HIS 17 HA HIS 17 3.069 -13.424 0.786 128 HB2 HIS 17 1HB HIS 17 2.158 -16.279 1.333 129 HB3 HIS 17 2HB HIS 17 3.081 -15.321 2.487 130 HD2 HIS 17 HD2 HIS 17 1.671 -13.270 3.774 131 HE1 HIS 17 HE1 HIS 17 -2.087 -14.415 2.196 132 HE2 HIS 17 HE2 HIS 17 -0.905 -13.109 4.012 133 H GLY 18 H GLY 18 4.102 -14.793 -1.796 134 HA2 GLY 18 1HA GLY 18 6.510 -16.195 -0.848 135 HA3 GLY 18 2HA GLY 18 5.966 -16.045 -2.518 136 H GLN 19 H GLN 19 7.109 -14.037 0.194 137 HA GLN 19 HA GLN 19 8.344 -12.164 0.386 138 HB2 GLN 19 1HB GLN 19 10.129 -13.583 -0.595 139 HB3 GLN 19 2HB GLN 19 9.652 -13.085 -2.215 140 HG2 GLN 19 1HG GLN 19 10.266 -10.728 -1.633 141 HG3 GLN 19 2HG GLN 19 10.800 -11.290 -0.048 142 HE21 GLN 19 2HE2 GLN 19 11.479 -11.324 -3.490 143 HE22 GLN 19 1HE2 GLN 19 13.118 -11.851 -3.361 144 H GLY 20 H GLY 20 6.435 -10.926 0.153 145 HA2 GLY 20 1HA GLY 20 6.516 -8.671 -1.367 146 HA3 GLY 20 2HA GLY 20 5.602 -9.797 -2.372 147 H LEU 21 H LEU 21 4.064 -7.889 -1.930 148 HA LEU 21 HA LEU 21 2.618 -8.188 0.642 149 HB2 LEU 21 1HB LEU 21 3.576 -5.911 0.093 150 HB3 LEU 21 2HB LEU 21 2.521 -5.850 -1.305 151 HG LEU 21 HG LEU 21 0.529 -5.904 0.187 152 HD11 LEU 21 1HD1 LEU 21 0.784 -5.596 2.618 153 HD12 LEU 21 2HD1 LEU 21 2.528 -5.822 2.466 154 HD13 LEU 21 3HD1 LEU 21 1.426 -7.146 2.076 155 HD21 LEU 21 3HD2 LEU 21 1.402 -3.735 -0.552 156 HD22 LEU 21 1HD2 LEU 21 2.487 -3.675 0.842 157 HD23 LEU 21 2HD2 LEU 21 0.737 -3.610 1.078 158 H ARG 22 H ARG 22 0.740 -9.171 0.561 159 HA ARG 22 HA ARG 22 -0.705 -9.658 -1.950 160 HB2 ARG 22 1HB ARG 22 -0.090 -11.516 -0.244 161 HB3 ARG 22 2HB ARG 22 -1.303 -10.821 0.820 162 HG2 ARG 22 1HG ARG 22 -1.920 -11.879 -1.968 163 HG3 ARG 22 2HG ARG 22 -2.004 -12.868 -0.513 164 HD2 ARG 22 1HD ARG 22 -3.738 -11.323 0.395 165 HD3 ARG 22 2HD ARG 22 -3.674 -10.401 -1.112 166 HE ARG 22 HE ARG 22 -4.252 -13.241 -1.406 167 HH11 ARG 22 1HH1 ARG 22 -5.664 -10.033 -1.129 168 HH12 ARG 22 2HH1 ARG 22 -7.183 -10.528 -1.800 169 HH21 ARG 22 1HH2 ARG 22 -6.255 -13.855 -2.273 170 HH22 ARG 22 2HH2 ARG 22 -7.517 -12.679 -2.449 171 H PHE 23 H PHE 23 -2.285 -8.244 -2.459 172 HA PHE 23 HA PHE 23 -4.176 -7.270 -0.486 173 HB2 PHE 23 1HB PHE 23 -3.858 -4.864 -0.990 174 HB3 PHE 23 2HB PHE 23 -2.413 -5.559 -0.271 175 HD1 PHE 23 HD1 PHE 23 -3.879 -4.300 -3.463 176 HD2 PHE 23 HD2 PHE 23 -0.319 -5.562 -1.465 177 HE1 PHE 23 HE1 PHE 23 -2.516 -3.389 -5.296 178 HE2 PHE 23 HE2 PHE 23 1.027 -4.637 -3.297 179 HZ PHE 23 HZ PHE 23 -0.065 -3.549 -5.213 180 H ALA 24 H ALA 24 -5.808 -5.783 -1.561 181 HA ALA 24 HA ALA 24 -6.318 -6.456 -4.396 182 HB1 ALA 24 3HB ALA 24 -8.390 -6.361 -2.164 183 HB2 ALA 24 1HB ALA 24 -7.800 -7.821 -2.961 184 HB3 ALA 24 2HB ALA 24 -8.724 -6.630 -3.878 185 H ALA 25 H ALA 25 -7.642 -4.835 -5.495 186 HA ALA 25 HA ALA 25 -6.773 -2.169 -5.057 187 HB1 ALA 25 3HB ALA 25 -9.037 -3.182 -6.820 188 HB2 ALA 25 1HB ALA 25 -7.337 -3.060 -7.286 189 HB3 ALA 25 2HB ALA 25 -8.261 -1.599 -6.936 190 H GLY 26 H GLY 26 -7.662 -0.479 -3.961 191 HA2 GLY 26 1HA GLY 26 -9.618 0.853 -3.395 192 HA3 GLY 26 2HA GLY 26 -10.486 -0.628 -3.015 193 H GLU 27 H GLU 27 -7.692 -1.399 -1.740 194 HA GLU 27 HA GLU 27 -8.469 -0.669 0.953 195 HB2 GLU 27 1HB GLU 27 -6.166 -2.370 -0.082 196 HB3 GLU 27 2HB GLU 27 -6.529 -2.115 1.630 197 HG2 GLU 27 1HG GLU 27 -8.797 -3.126 1.242 198 HG3 GLU 27 2HG GLU 27 -8.305 -3.497 -0.414 199 H LEU 28 H LEU 28 -7.362 0.554 2.408 200 HA LEU 28 HA LEU 28 -5.508 2.552 1.306 201 HB2 LEU 28 1HB LEU 28 -6.974 2.550 3.983 202 HB3 LEU 28 2HB LEU 28 -6.018 3.867 3.335 203 HG LEU 28 HG LEU 28 -8.242 4.546 3.022 204 HD11 LEU 28 1HD1 LEU 28 -8.610 4.671 0.635 205 HD12 LEU 28 2HD1 LEU 28 -7.464 3.353 0.363 206 HD13 LEU 28 3HD1 LEU 28 -6.907 4.891 1.027 207 HD21 LEU 28 3HD2 LEU 28 -9.365 2.452 3.530 208 HD22 LEU 28 1HD2 LEU 28 -8.967 1.816 1.930 209 HD23 LEU 28 2HD2 LEU 28 -10.056 3.201 2.093 210 H ILE 29 H ILE 29 -3.472 1.811 1.403 211 HA ILE 29 HA ILE 29 -2.406 0.255 3.612 212 HB ILE 29 HB ILE 29 -1.032 1.418 1.134 213 HG12 ILE 29 1HG1 ILE 29 -2.778 -0.262 0.559 214 HG13 ILE 29 2HG1 ILE 29 -1.166 -0.837 0.160 215 HG21 ILE 29 1HG2 ILE 29 0.810 -0.165 1.626 216 HG22 ILE 29 2HG2 ILE 29 0.007 -0.624 3.131 217 HG23 ILE 29 3HG2 ILE 29 0.594 1.025 2.912 218 HD11 ILE 29 3HD1 ILE 29 -2.559 -2.599 1.090 219 HD12 ILE 29 1HD1 ILE 29 -2.788 -1.673 2.573 220 HD13 ILE 29 2HD1 ILE 29 -1.183 -2.276 2.144 221 H THR 30 H THR 30 -1.778 1.253 5.407 222 HA THR 30 HA THR 30 -1.370 4.100 5.611 223 HB THR 30 HB THR 30 -0.907 1.978 7.765 224 HG1 THR 30 HG1 THR 30 -3.053 1.911 6.903 225 HG21 THR 30 3HG2 THR 30 -1.522 4.957 7.986 226 HG22 THR 30 1HG2 THR 30 0.040 4.202 8.320 227 HG23 THR 30 2HG2 THR 30 -1.351 3.840 9.342 228 H LEU 31 H LEU 31 0.493 5.028 5.051 229 HA LEU 31 HA LEU 31 2.782 3.500 4.301 230 HB2 LEU 31 1HB LEU 31 2.651 6.522 4.563 231 HB3 LEU 31 2HB LEU 31 3.759 5.584 3.565 232 HG LEU 31 HG LEU 31 0.755 5.894 3.113 233 HD11 LEU 31 1HD1 LEU 31 1.392 7.221 1.159 234 HD12 LEU 31 2HD1 LEU 31 3.099 7.052 1.560 235 HD13 LEU 31 3HD1 LEU 31 2.017 7.943 2.638 236 HD21 LEU 31 3HD2 LEU 31 1.453 3.676 2.385 237 HD22 LEU 31 1HD2 LEU 31 2.806 4.351 1.476 238 HD23 LEU 31 2HD2 LEU 31 1.149 4.686 0.975 239 H LEU 32 H LEU 32 4.730 3.230 5.302 240 HA LEU 32 HA LEU 32 5.157 4.336 8.007 241 HB2 LEU 32 1HB LEU 32 6.638 2.096 6.566 242 HB3 LEU 32 2HB LEU 32 6.834 2.555 8.255 243 HG LEU 32 HG LEU 32 4.321 1.331 7.016 244 HD11 LEU 32 1HD1 LEU 32 6.314 0.095 8.950 245 HD12 LEU 32 2HD1 LEU 32 6.134 -0.295 7.235 246 HD13 LEU 32 3HD1 LEU 32 4.823 -0.649 8.356 247 HD21 LEU 32 3HD2 LEU 32 3.423 1.223 9.312 248 HD22 LEU 32 1HD2 LEU 32 3.710 2.887 8.804 249 HD23 LEU 32 2HD2 LEU 32 4.833 2.099 9.915 250 H GLN 33 H GLN 33 6.475 4.227 4.724 251 HA GLN 33 HA GLN 33 8.590 6.169 5.395 252 HB2 GLN 33 1HB GLN 33 8.013 4.548 2.889 253 HB3 GLN 33 2HB GLN 33 9.145 5.898 2.868 254 HG2 GLN 33 1HG GLN 33 10.491 4.736 4.631 255 HG3 GLN 33 2HG GLN 33 9.392 3.359 4.510 256 HE21 GLN 33 2HE2 GLN 33 11.055 1.965 3.836 257 HE22 GLN 33 1HE2 GLN 33 11.769 2.055 2.271 258 H VAL 34 H VAL 34 8.714 8.193 4.454 259 HA VAL 34 HA VAL 34 6.622 9.192 2.665 260 HB VAL 34 HB VAL 34 6.434 11.345 4.033 261 HG11 VAL 34 1HG1 VAL 34 5.356 8.866 5.427 262 HG12 VAL 34 2HG1 VAL 34 4.600 9.701 4.069 263 HG13 VAL 34 3HG1 VAL 34 4.751 10.516 5.628 264 HG21 VAL 34 3HG2 VAL 34 7.012 11.305 6.443 265 HG22 VAL 34 1HG2 VAL 34 8.450 11.099 5.436 266 HG23 VAL 34 2HG2 VAL 34 7.733 9.706 6.249 267 HA PRO 35 HA PRO 35 11.094 10.727 1.915 268 HB2 PRO 35 1HB PRO 35 11.966 9.203 -0.122 269 HB3 PRO 35 2HB PRO 35 11.929 8.565 1.530 270 HG2 PRO 35 1HG PRO 35 10.013 8.081 -0.737 271 HG3 PRO 35 2HG PRO 35 10.644 6.934 0.464 272 HD2 PRO 35 1HD PRO 35 8.154 8.222 0.625 273 HD3 PRO 35 2HD PRO 35 8.996 7.461 1.984 274 H ASP 36 H ASP 36 12.084 11.294 -0.466 275 HA ASP 36 HA ASP 36 10.317 13.224 -1.655 276 HB2 ASP 36 1HB ASP 36 12.706 13.733 -1.378 277 HB3 ASP 36 2HB ASP 36 13.150 12.347 -2.362 278 H GLY 37 H GLY 37 8.637 11.776 -2.322 279 HA2 GLY 37 1HA GLY 37 7.438 10.471 -3.765 280 HA3 GLY 37 2HA GLY 37 8.579 10.961 -5.012 281 H GLY 38 H GLY 38 9.241 9.153 -6.027 282 HA2 GLY 38 1HA GLY 38 10.380 7.212 -6.427 283 HA3 GLY 38 2HA GLY 38 10.919 7.239 -4.765 284 H TRP 39 H TRP 39 9.540 6.306 -3.143 285 HA TRP 39 HA TRP 39 7.437 4.477 -3.972 286 HB2 TRP 39 1HB TRP 39 8.553 2.449 -3.248 287 HB3 TRP 39 2HB TRP 39 9.578 3.232 -4.439 288 HD1 TRP 39 HD1 TRP 39 11.188 5.250 -2.527 289 HE1 TRP 39 HE1 TRP 39 12.879 4.306 -0.832 290 HE3 TRP 39 HE3 TRP 39 9.445 0.458 -2.221 291 HZ2 TRP 39 HZ2 TRP 39 13.428 1.849 0.436 292 HZ3 TRP 39 HZ3 TRP 39 10.609 -1.125 -0.763 293 HH2 TRP 39 HH2 TRP 39 12.566 -0.457 0.553 294 H TRP 40 H TRP 40 6.489 3.328 -2.068 295 HA TRP 40 HA TRP 40 7.154 4.407 0.592 296 HB2 TRP 40 1HB TRP 40 4.302 4.269 -0.517 297 HB3 TRP 40 2HB TRP 40 4.717 4.639 1.152 298 HD1 TRP 40 HD1 TRP 40 6.448 6.978 1.285 299 HE1 TRP 40 HE1 TRP 40 6.027 9.225 0.113 300 HE3 TRP 40 HE3 TRP 40 3.209 5.405 -2.351 301 HZ2 TRP 40 HZ2 TRP 40 4.514 10.213 -2.043 302 HZ3 TRP 40 HZ3 TRP 40 2.305 7.069 -3.925 303 HH2 TRP 40 HH2 TRP 40 2.944 9.427 -3.773 304 H GLU 41 H GLU 41 7.316 2.738 2.021 305 HA GLU 41 HA GLU 41 5.935 0.193 1.538 306 HB2 GLU 41 1HB GLU 41 7.060 -0.649 3.533 307 HB3 GLU 41 2HB GLU 41 8.254 0.118 2.493 308 HG2 GLU 41 1HG GLU 41 8.329 2.064 3.923 309 HG3 GLU 41 2HG GLU 41 6.998 1.455 4.901 310 H GLY 42 H GLY 42 4.530 -0.660 3.249 311 HA2 GLY 42 1HA GLY 42 3.439 1.005 5.306 312 HA3 GLY 42 2HA GLY 42 2.352 0.859 3.927 313 H GLU 43 H GLU 43 1.258 -0.013 6.048 314 HA GLU 43 HA GLU 43 1.703 -2.912 6.350 315 HB2 GLU 43 1HB GLU 43 0.248 -0.924 8.152 316 HB3 GLU 43 2HB GLU 43 0.337 -2.666 8.442 317 HG2 GLU 43 1HG GLU 43 2.807 -2.508 8.586 318 HG3 GLU 43 2HG GLU 43 2.705 -0.763 8.333 319 H LYS 44 H LYS 44 0.151 -4.331 5.920 320 HA LYS 44 HA LYS 44 -2.318 -3.538 4.528 321 HB2 LYS 44 1HB LYS 44 -0.464 -5.322 3.771 322 HB3 LYS 44 2HB LYS 44 -1.315 -6.402 4.860 323 HG2 LYS 44 1HG LYS 44 -2.649 -4.971 2.530 324 HG3 LYS 44 2HG LYS 44 -1.882 -6.557 2.386 325 HD2 LYS 44 1HD LYS 44 -3.475 -7.431 4.115 326 HD3 LYS 44 2HD LYS 44 -4.260 -5.851 4.149 327 HE2 LYS 44 1HE LYS 44 -4.768 -6.121 1.699 328 HE3 LYS 44 2HE LYS 44 -4.123 -7.762 1.798 329 HZ1 LYS 44 3HZ LYS 44 -6.465 -7.846 2.013 330 HZ2 LYS 44 1HZ LYS 44 -6.473 -6.683 3.248 331 HZ3 LYS 44 2HZ LYS 44 -5.812 -8.213 3.520 332 H GLU 45 H GLU 45 -4.358 -4.622 5.229 333 HA GLU 45 HA GLU 45 -4.959 -4.275 7.918 334 HB2 GLU 45 1HB GLU 45 -6.476 -5.903 5.832 335 HB3 GLU 45 2HB GLU 45 -7.130 -5.430 7.401 336 HG2 GLU 45 1HG GLU 45 -6.317 -3.596 5.135 337 HG3 GLU 45 2HG GLU 45 -7.955 -3.920 5.694 338 H ASP 46 H ASP 46 -3.974 -7.281 6.311 339 HA ASP 46 HA ASP 46 -4.664 -9.082 8.425 340 HB2 ASP 46 1HB ASP 46 -2.698 -9.346 6.106 341 HB3 ASP 46 2HB ASP 46 -3.123 -10.675 7.188 342 H GLY 47 H GLY 47 -2.193 -6.785 8.192 343 HA2 GLY 47 1HA GLY 47 -0.657 -6.280 9.917 344 HA3 GLY 47 2HA GLY 47 -0.639 -7.969 10.409 345 H LEU 48 H LEU 48 -0.523 -8.302 7.232 346 HA LEU 48 HA LEU 48 2.239 -8.859 6.973 347 HB2 LEU 48 1HB LEU 48 0.454 -9.977 5.644 348 HB3 LEU 48 2HB LEU 48 0.116 -8.464 4.820 349 HG LEU 48 HG LEU 48 2.415 -8.527 3.822 350 HD11 LEU 48 1HD1 LEU 48 3.750 -10.579 3.908 351 HD12 LEU 48 2HD1 LEU 48 2.635 -11.271 5.089 352 HD13 LEU 48 3HD1 LEU 48 3.588 -9.841 5.501 353 HD21 LEU 48 3HD2 LEU 48 0.710 -10.973 3.232 354 HD22 LEU 48 1HD2 LEU 48 1.954 -10.299 2.172 355 HD23 LEU 48 2HD2 LEU 48 0.504 -9.364 2.532 356 H ARG 49 H ARG 49 3.890 -7.553 6.430 357 HA ARG 49 HA ARG 49 3.365 -4.715 5.758 358 HB2 ARG 49 1HB ARG 49 5.845 -6.034 6.950 359 HB3 ARG 49 2HB ARG 49 5.642 -4.303 6.673 360 HG2 ARG 49 1HG ARG 49 4.050 -4.084 8.413 361 HG3 ARG 49 2HG ARG 49 3.732 -5.822 8.477 362 HD2 ARG 49 1HD ARG 49 6.306 -4.446 9.338 363 HD3 ARG 49 2HD ARG 49 5.060 -5.099 10.410 364 HE ARG 49 HE ARG 49 5.800 -7.192 8.780 365 HH11 ARG 49 1HH1 ARG 49 7.446 -5.214 11.167 366 HH12 ARG 49 2HH1 ARG 49 8.619 -6.431 11.531 367 HH21 ARG 49 1HH2 ARG 49 7.306 -8.773 9.287 368 HH22 ARG 49 2HH2 ARG 49 8.542 -8.464 10.463 369 H GLY 50 H GLY 50 4.079 -3.917 3.846 370 HA2 GLY 50 1HA GLY 50 6.070 -5.328 2.218 371 HA3 GLY 50 2HA GLY 50 4.443 -5.180 1.557 372 H TRP 51 H TRP 51 6.251 -4.146 0.040 373 HA TRP 51 HA TRP 51 6.104 -1.227 0.350 374 HB2 TRP 51 1HB TRP 51 8.585 -1.102 -0.308 375 HB3 TRP 51 2HB TRP 51 8.253 -1.644 1.330 376 HD1 TRP 51 HD1 TRP 51 9.041 -4.076 2.012 377 HE1 TRP 51 HE1 TRP 51 10.461 -5.876 0.857 378 HE3 TRP 51 HE3 TRP 51 9.164 -2.140 -2.741 379 HZ2 TRP 51 HZ2 TRP 51 11.494 -6.426 -1.693 380 HZ3 TRP 51 HZ3 TRP 51 10.393 -3.381 -4.482 381 HH2 TRP 51 HH2 TRP 51 11.533 -5.483 -3.962 382 H PHE 52 H PHE 52 5.951 -0.152 -1.588 383 HA PHE 52 HA PHE 52 6.740 -1.333 -4.106 384 HB2 PHE 52 1HB PHE 52 3.785 -0.951 -3.421 385 HB3 PHE 52 2HB PHE 52 4.327 -0.804 -5.085 386 HD1 PHE 52 HD2 PHE 52 5.871 -2.845 -5.908 387 HD2 PHE 52 HD1 PHE 52 2.990 -3.072 -2.754 388 HE1 PHE 52 HE2 PHE 52 5.738 -5.284 -6.199 389 HE2 PHE 52 HE1 PHE 52 2.867 -5.515 -3.055 390 HZ PHE 52 HZ PHE 52 4.236 -6.618 -4.775 391 HA PRO 53 HA PRO 53 7.338 3.044 -5.350 392 HB2 PRO 53 1HB PRO 53 6.264 1.940 -7.954 393 HB3 PRO 53 2HB PRO 53 7.648 3.012 -7.677 394 HG2 PRO 53 1HG PRO 53 8.058 0.430 -8.141 395 HG3 PRO 53 2HG PRO 53 9.010 1.252 -6.885 396 HD2 PRO 53 1HD PRO 53 6.681 -0.634 -6.585 397 HD3 PRO 53 2HD PRO 53 8.137 -0.466 -5.582 398 H ALA 54 H ALA 54 6.119 4.829 -6.270 399 HA ALA 54 HA ALA 54 3.538 5.172 -5.194 400 HB1 ALA 54 3HB ALA 54 5.146 7.012 -5.536 401 HB2 ALA 54 1HB ALA 54 3.596 7.377 -6.300 402 HB3 ALA 54 2HB ALA 54 4.966 6.860 -7.286 403 H SER 55 H SER 55 4.475 3.761 -8.173 404 HA SER 55 HA SER 55 2.243 4.322 -9.836 405 HB2 SER 55 1HB SER 55 4.134 1.931 -9.909 406 HB3 SER 55 2HB SER 55 3.160 2.541 -11.256 407 HG SER 55 HG SER 55 4.409 4.610 -10.777 408 H TYR 56 H TYR 56 2.648 2.158 -7.167 409 HA TYR 56 HA TYR 56 0.426 0.370 -7.957 410 HB2 TYR 56 1HB TYR 56 2.416 0.172 -5.638 411 HB3 TYR 56 2HB TYR 56 1.214 -1.040 -6.063 412 HD1 TYR 56 HD2 TYR 56 4.186 0.749 -7.527 413 HD2 TYR 56 HD1 TYR 56 1.844 -2.820 -7.501 414 HE1 TYR 56 HE2 TYR 56 5.812 -0.332 -9.022 415 HE2 TYR 56 HE1 TYR 56 3.471 -3.898 -8.991 416 HH TYR 56 HH TYR 56 6.546 -2.637 -9.580 417 H VAL 57 H VAL 57 1.542 2.426 -5.268 418 HA VAL 57 HA VAL 57 -1.217 2.589 -4.196 419 HB VAL 57 HB VAL 57 -0.175 3.187 -2.000 420 HG11 VAL 57 1HG1 VAL 57 -0.860 0.856 -2.402 421 HG12 VAL 57 2HG1 VAL 57 0.580 0.905 -1.383 422 HG13 VAL 57 3HG1 VAL 57 0.726 0.490 -3.092 423 HG21 VAL 57 3HG2 VAL 57 2.254 2.782 -1.596 424 HG22 VAL 57 1HG2 VAL 57 1.988 4.093 -2.754 425 HG23 VAL 57 2HG2 VAL 57 2.483 2.497 -3.326 426 H GLN 58 H GLN 58 -2.159 4.572 -4.076 427 HA GLN 58 HA GLN 58 -0.655 6.936 -5.052 428 HB2 GLN 58 1HB GLN 58 -2.026 5.998 -6.858 429 HB3 GLN 58 2HB GLN 58 -3.451 5.967 -5.825 430 HG2 GLN 58 1HG GLN 58 -3.473 8.419 -5.762 431 HG3 GLN 58 2HG GLN 58 -2.033 8.481 -6.774 432 HE21 GLN 58 2HE2 GLN 58 -2.210 7.917 -8.974 433 HE22 GLN 58 1HE2 GLN 58 -3.733 7.871 -9.788 434 H LEU 59 H LEU 59 -0.784 8.649 -3.720 435 HA LEU 59 HA LEU 59 -2.065 8.850 -1.275 436 HB2 LEU 59 1HB LEU 59 -1.221 11.075 -3.176 437 HB3 LEU 59 2HB LEU 59 -1.685 11.352 -1.505 438 HG LEU 59 HG LEU 59 0.703 9.638 -2.337 439 HD11 LEU 59 1HD1 LEU 59 2.122 11.517 -1.658 440 HD12 LEU 59 2HD1 LEU 59 0.698 12.518 -1.352 441 HD13 LEU 59 3HD1 LEU 59 1.070 11.979 -2.994 442 HD21 LEU 59 3HD2 LEU 59 -0.219 9.039 -0.130 443 HD22 LEU 59 1HD2 LEU 59 -0.087 10.719 0.397 444 HD23 LEU 59 2HD2 LEU 59 1.366 9.788 0.023 445 H LEU 60 H LEU 60 -4.097 9.381 -0.591 446 HA LEU 60 HA LEU 60 -6.290 9.682 -2.383 447 HB2 LEU 60 1HB LEU 60 -6.106 9.981 0.628 448 HB3 LEU 60 2HB LEU 60 -7.602 10.194 -0.262 449 HG LEU 60 HG LEU 60 -7.239 7.809 -1.159 450 HD11 LEU 60 1HD1 LEU 60 -5.299 7.643 1.155 451 HD12 LEU 60 2HD1 LEU 60 -4.893 7.514 -0.559 452 HD13 LEU 60 3HD1 LEU 60 -5.902 6.282 0.202 453 HD21 LEU 60 3HD2 LEU 60 -7.827 8.185 1.786 454 HD22 LEU 60 1HD2 LEU 60 -8.282 6.791 0.803 455 HD23 LEU 60 2HD2 LEU 60 -8.973 8.373 0.453 Start of MODEL 11 1 H1 MET 1 1H MET 1 -5.681 8.225 14.400 2 H2 MET 1 2H MET 1 -5.111 7.178 15.592 3 H3 MET 1 3H MET 1 -5.298 6.636 14.002 4 HA MET 1 HA MET 1 -3.412 8.719 14.895 5 HB2 MET 1 1HB MET 1 -2.862 5.862 13.968 6 HB3 MET 1 2HB MET 1 -1.635 7.063 14.357 7 HG2 MET 1 1HG MET 1 -1.815 5.541 16.197 8 HG3 MET 1 2HG MET 1 -2.496 7.088 16.714 9 HE1 MET 1 3HE MET 1 -3.684 5.805 18.820 10 HE2 MET 1 1HE MET 1 -3.001 4.281 18.263 11 HE3 MET 1 2HE MET 1 -4.727 4.394 18.607 12 H SER 2 H SER 2 -3.027 10.130 13.298 13 HA SER 2 HA SER 2 -4.093 9.965 10.684 14 HB2 SER 2 1HB SER 2 -1.902 11.811 11.744 15 HB3 SER 2 2HB SER 2 -2.870 12.078 10.288 16 HG SER 2 HG SER 2 -3.468 12.996 12.560 17 H GLY 3 H GLY 3 -3.405 8.427 9.282 18 HA2 GLY 3 1HA GLY 3 -0.523 7.793 9.001 19 HA3 GLY 3 2HA GLY 3 -1.856 6.746 8.541 20 H ALA 4 H ALA 4 0.480 7.889 7.036 21 HA ALA 4 HA ALA 4 -0.603 9.411 4.864 22 HB1 ALA 4 3HB ALA 4 1.830 9.432 5.352 23 HB2 ALA 4 1HB ALA 4 1.520 8.866 3.710 24 HB3 ALA 4 2HB ALA 4 1.933 7.709 4.977 25 H ARG 5 H ARG 5 -2.479 8.343 4.283 26 HA ARG 5 HA ARG 5 -2.592 5.518 3.666 27 HB2 ARG 5 1HB ARG 5 -4.670 7.690 3.126 28 HB3 ARG 5 2HB ARG 5 -4.951 5.948 3.133 29 HG2 ARG 5 1HG ARG 5 -4.496 5.886 5.555 30 HG3 ARG 5 2HG ARG 5 -4.185 7.627 5.541 31 HD2 ARG 5 1HD ARG 5 -6.527 7.969 4.687 32 HD3 ARG 5 2HD ARG 5 -6.813 6.238 4.919 33 HE ARG 5 HE ARG 5 -6.030 6.887 7.364 34 HH11 ARG 5 1HH1 ARG 5 -8.230 8.655 5.269 35 HH12 ARG 5 2HH1 ARG 5 -9.124 9.337 6.588 36 HH21 ARG 5 1HH2 ARG 5 -7.208 7.780 9.074 37 HH22 ARG 5 2HH2 ARG 5 -8.553 8.819 8.749 38 H CYS 6 H CYS 6 -2.624 4.604 1.677 39 HA CYS 6 HA CYS 6 -2.795 6.283 -0.744 40 HB2 CYS 6 1HB CYS 6 -0.853 3.977 -0.278 41 HB3 CYS 6 2HB CYS 6 -1.110 4.789 -1.823 42 HG CYS 6 HG CYS 6 -0.337 6.857 0.679 43 H ARG 7 H ARG 7 -3.976 5.392 -2.381 44 HA ARG 7 HA ARG 7 -5.642 3.052 -1.659 45 HB2 ARG 7 1HB ARG 7 -6.828 5.243 -1.935 46 HB3 ARG 7 2HB ARG 7 -6.242 5.341 -3.593 47 HG2 ARG 7 1HG ARG 7 -7.518 3.304 -4.179 48 HG3 ARG 7 2HG ARG 7 -8.093 3.173 -2.513 49 HD2 ARG 7 1HD ARG 7 -9.244 5.346 -2.747 50 HD3 ARG 7 2HD ARG 7 -8.659 5.476 -4.413 51 HE ARG 7 HE ARG 7 -10.517 3.384 -3.438 52 HH11 ARG 7 1HH1 ARG 7 -9.419 5.475 -6.044 53 HH12 ARG 7 2HH1 ARG 7 -10.713 5.019 -7.098 54 HH21 ARG 7 1HH2 ARG 7 -12.197 2.826 -4.831 55 HH22 ARG 7 2HH2 ARG 7 -12.281 3.531 -6.408 56 H THR 8 H THR 8 -5.493 1.301 -2.866 57 HA THR 8 HA THR 8 -3.499 0.999 -4.862 58 HB THR 8 HB THR 8 -4.473 -1.359 -5.017 59 HG1 THR 8 HG1 THR 8 -6.049 -1.738 -3.235 60 HG21 THR 8 3HG2 THR 8 -3.813 -2.014 -2.729 61 HG22 THR 8 1HG2 THR 8 -3.893 -0.329 -2.207 62 HG23 THR 8 2HG2 THR 8 -2.678 -0.836 -3.386 63 H LEU 9 H LEU 9 -3.622 1.067 -6.987 64 HA LEU 9 HA LEU 9 -6.007 2.051 -8.329 65 HB2 LEU 9 1HB LEU 9 -3.156 1.586 -9.302 66 HB3 LEU 9 2HB LEU 9 -4.425 2.344 -10.258 67 HG LEU 9 HG LEU 9 -3.367 3.486 -7.631 68 HD11 LEU 9 1HD1 LEU 9 -2.143 5.134 -8.960 69 HD12 LEU 9 2HD1 LEU 9 -2.641 4.341 -10.456 70 HD13 LEU 9 3HD1 LEU 9 -1.584 3.502 -9.319 71 HD21 LEU 9 3HD2 LEU 9 -5.211 4.673 -9.739 72 HD22 LEU 9 1HD2 LEU 9 -4.567 5.539 -8.342 73 HD23 LEU 9 2HD2 LEU 9 -5.656 4.180 -8.103 74 H TYR 10 H TYR 10 -4.013 -0.870 -8.193 75 HA TYR 10 HA TYR 10 -5.850 -2.284 -10.033 76 HB2 TYR 10 1HB TYR 10 -2.797 -2.488 -10.180 77 HB3 TYR 10 2HB TYR 10 -3.939 -3.383 -11.178 78 HD1 TYR 10 HD2 TYR 10 -5.571 -1.950 -12.653 79 HD2 TYR 10 HD1 TYR 10 -1.933 -0.421 -11.002 80 HE1 TYR 10 HE2 TYR 10 -5.605 -0.114 -14.284 81 HE2 TYR 10 HE1 TYR 10 -1.973 1.424 -12.634 82 HH TYR 10 HH TYR 10 -4.719 2.116 -14.565 83 HA PRO 11 HA PRO 11 -5.223 -5.613 -6.919 84 HB2 PRO 11 1HB PRO 11 -6.395 -7.684 -8.269 85 HB3 PRO 11 2HB PRO 11 -7.337 -6.422 -7.462 86 HG2 PRO 11 1HG PRO 11 -6.626 -6.679 -10.380 87 HG3 PRO 11 2HG PRO 11 -8.185 -6.245 -9.648 88 HD2 PRO 11 1HD PRO 11 -6.462 -4.375 -10.658 89 HD3 PRO 11 2HD PRO 11 -7.546 -4.036 -9.293 90 H PHE 12 H PHE 12 -3.338 -6.695 -6.634 91 HA PHE 12 HA PHE 12 -1.958 -8.026 -8.834 92 HB2 PHE 12 1HB PHE 12 -1.178 -5.687 -9.038 93 HB3 PHE 12 2HB PHE 12 -0.733 -5.661 -7.337 94 HD1 PHE 12 HD1 PHE 12 -0.015 -7.674 -10.436 95 HD2 PHE 12 HD2 PHE 12 1.551 -5.958 -6.847 96 HE1 PHE 12 HE1 PHE 12 2.239 -8.440 -11.044 97 HE2 PHE 12 HE2 PHE 12 3.805 -6.731 -7.463 98 HZ PHE 12 HZ PHE 12 4.146 -7.969 -9.562 99 H SER 13 H SER 13 -0.896 -9.758 -8.142 100 HA SER 13 HA SER 13 0.022 -11.390 -6.946 101 HB2 SER 13 1HB SER 13 0.631 -9.197 -4.923 102 HB3 SER 13 2HB SER 13 1.315 -10.826 -4.881 103 HG SER 13 HG SER 13 1.574 -9.532 -7.304 104 H GLY 14 H GLY 14 -1.238 -12.957 -6.200 105 HA2 GLY 14 1HA GLY 14 -2.539 -12.689 -3.565 106 HA3 GLY 14 2HA GLY 14 -3.528 -13.202 -4.935 107 H GLU 15 H GLU 15 -0.150 -14.011 -4.495 108 HA GLU 15 HA GLU 15 -0.817 -16.858 -4.787 109 HB2 GLU 15 1HB GLU 15 1.962 -15.624 -5.041 110 HB3 GLU 15 2HB GLU 15 1.388 -17.162 -5.681 111 HG2 GLU 15 1HG GLU 15 0.664 -14.385 -6.667 112 HG3 GLU 15 2HG GLU 15 1.698 -15.556 -7.478 113 H ARG 16 H ARG 16 0.503 -18.435 -3.596 114 HA ARG 16 HA ARG 16 0.980 -17.666 -0.794 115 HB2 ARG 16 1HB ARG 16 0.684 -20.407 -2.105 116 HB3 ARG 16 2HB ARG 16 0.952 -20.150 -0.383 117 HG2 ARG 16 1HG ARG 16 -1.486 -19.261 -1.975 118 HG3 ARG 16 2HG ARG 16 -1.413 -20.604 -0.831 119 HD2 ARG 16 1HD ARG 16 -1.009 -19.063 1.018 120 HD3 ARG 16 2HD ARG 16 -0.916 -17.697 -0.095 121 HE ARG 16 HE ARG 16 -3.407 -18.835 -0.480 122 HH11 ARG 16 1HH1 ARG 16 -1.732 -17.361 2.240 123 HH12 ARG 16 2HH1 ARG 16 -3.184 -16.705 2.920 124 HH21 ARG 16 1HH2 ARG 16 -5.275 -17.955 0.417 125 HH22 ARG 16 2HH2 ARG 16 -5.194 -17.061 1.892 126 H HIS 17 H HIS 17 2.864 -16.531 -2.021 127 HA HIS 17 HA HIS 17 5.269 -18.115 -2.327 128 HB2 HIS 17 1HB HIS 17 4.777 -15.105 -2.228 129 HB3 HIS 17 2HB HIS 17 6.389 -15.802 -2.397 130 HD2 HIS 17 HD2 HIS 17 6.131 -17.878 -4.725 131 HE1 HIS 17 HE1 HIS 17 4.147 -14.819 -6.872 132 HE2 HIS 17 HE2 HIS 17 5.511 -16.952 -7.060 133 H GLY 18 H GLY 18 3.573 -16.569 0.273 134 HA2 GLY 18 1HA GLY 18 4.144 -17.482 2.516 135 HA3 GLY 18 2HA GLY 18 5.820 -17.088 2.158 136 H GLN 19 H GLN 19 6.507 -15.269 3.111 137 HA GLN 19 HA GLN 19 4.685 -13.307 4.204 138 HB2 GLN 19 1HB GLN 19 6.676 -13.803 5.482 139 HB3 GLN 19 2HB GLN 19 7.721 -13.471 4.113 140 HG2 GLN 19 1HG GLN 19 7.908 -11.667 5.709 141 HG3 GLN 19 2HG GLN 19 7.145 -11.074 4.245 142 HE21 GLN 19 2HE2 GLN 19 7.131 -9.976 6.961 143 HE22 GLN 19 1HE2 GLN 19 5.478 -9.817 7.408 144 H GLY 20 H GLY 20 4.144 -11.391 3.422 145 HA2 GLY 20 1HA GLY 20 5.363 -9.577 1.826 146 HA3 GLY 20 2HA GLY 20 4.650 -10.692 0.656 147 H LEU 21 H LEU 21 3.821 -8.060 0.740 148 HA LEU 21 HA LEU 21 1.129 -8.193 1.956 149 HB2 LEU 21 1HB LEU 21 2.489 -6.245 2.624 150 HB3 LEU 21 2HB LEU 21 2.671 -5.773 0.943 151 HG LEU 21 HG LEU 21 0.311 -5.195 0.767 152 HD11 LEU 21 1HD1 LEU 21 -0.686 -6.969 2.112 153 HD12 LEU 21 2HD1 LEU 21 -1.256 -5.396 2.662 154 HD13 LEU 21 3HD1 LEU 21 -0.027 -6.258 3.591 155 HD21 LEU 21 3HD2 LEU 21 1.811 -3.479 1.731 156 HD22 LEU 21 1HD2 LEU 21 1.450 -4.070 3.356 157 HD23 LEU 21 2HD2 LEU 21 0.177 -3.336 2.377 158 H ARG 22 H ARG 22 -0.471 -8.663 0.702 159 HA ARG 22 HA ARG 22 -0.359 -8.387 -2.247 160 HB2 ARG 22 1HB ARG 22 -2.088 -10.187 -0.470 161 HB3 ARG 22 2HB ARG 22 -2.329 -10.009 -2.203 162 HG2 ARG 22 1HG ARG 22 -1.149 -12.045 -1.916 163 HG3 ARG 22 2HG ARG 22 0.026 -10.890 -2.540 164 HD2 ARG 22 1HD ARG 22 0.887 -10.579 -0.214 165 HD3 ARG 22 2HD ARG 22 -0.245 -11.819 0.344 166 HE ARG 22 HE ARG 22 1.336 -12.812 -1.793 167 HH11 ARG 22 1HH1 ARG 22 1.585 -12.080 1.634 168 HH12 ARG 22 2HH1 ARG 22 2.900 -13.174 1.889 169 HH21 ARG 22 1HH2 ARG 22 3.063 -14.224 -1.452 170 HH22 ARG 22 2HH2 ARG 22 3.745 -14.388 0.134 171 H PHE 23 H PHE 23 -2.368 -7.563 -3.288 172 HA PHE 23 HA PHE 23 -4.267 -6.135 -1.630 173 HB2 PHE 23 1HB PHE 23 -3.715 -3.872 -2.540 174 HB3 PHE 23 2HB PHE 23 -2.457 -4.534 -1.508 175 HD1 PHE 23 HD2 PHE 23 -0.282 -5.274 -2.487 176 HD2 PHE 23 HD1 PHE 23 -3.282 -3.437 -4.924 177 HE1 PHE 23 HE2 PHE 23 1.389 -4.829 -4.231 178 HE2 PHE 23 HE1 PHE 23 -1.591 -3.001 -6.660 179 HZ PHE 23 HZ PHE 23 0.742 -3.691 -6.305 180 H ALA 24 H ALA 24 -5.898 -5.045 -2.760 181 HA ALA 24 HA ALA 24 -6.326 -5.662 -5.608 182 HB1 ALA 24 3HB ALA 24 -8.375 -6.075 -3.396 183 HB2 ALA 24 1HB ALA 24 -7.584 -7.352 -4.319 184 HB3 ALA 24 2HB ALA 24 -8.689 -6.240 -5.128 185 H ALA 25 H ALA 25 -7.506 -4.059 -6.694 186 HA ALA 25 HA ALA 25 -7.056 -1.411 -5.950 187 HB1 ALA 25 3HB ALA 25 -8.469 -0.782 -7.862 188 HB2 ALA 25 1HB ALA 25 -9.095 -2.431 -7.953 189 HB3 ALA 25 2HB ALA 25 -7.393 -2.116 -8.284 190 H GLY 26 H GLY 26 -7.985 -0.172 -4.469 191 HA2 GLY 26 1HA GLY 26 -9.963 0.979 -3.644 192 HA3 GLY 26 2HA GLY 26 -10.846 -0.539 -3.728 193 H GLU 27 H GLU 27 -7.753 -1.171 -2.556 194 HA GLU 27 HA GLU 27 -8.573 -1.078 0.273 195 HB2 GLU 27 1HB GLU 27 -6.195 -2.427 -1.092 196 HB3 GLU 27 2HB GLU 27 -6.438 -2.388 0.657 197 HG2 GLU 27 1HG GLU 27 -8.652 -3.547 0.301 198 HG3 GLU 27 2HG GLU 27 -8.217 -3.728 -1.403 199 H LEU 28 H LEU 28 -7.412 0.009 1.845 200 HA LEU 28 HA LEU 28 -5.673 2.222 0.933 201 HB2 LEU 28 1HB LEU 28 -7.325 2.062 3.491 202 HB3 LEU 28 2HB LEU 28 -6.439 3.463 2.898 203 HG LEU 28 HG LEU 28 -8.978 2.253 1.720 204 HD11 LEU 28 1HD1 LEU 28 -8.490 4.971 2.988 205 HD12 LEU 28 2HD1 LEU 28 -9.346 3.609 3.721 206 HD13 LEU 28 3HD1 LEU 28 -10.013 4.398 2.294 207 HD21 LEU 28 3HD2 LEU 28 -8.927 4.057 0.031 208 HD22 LEU 28 1HD2 LEU 28 -7.564 2.955 -0.136 209 HD23 LEU 28 2HD2 LEU 28 -7.327 4.542 0.594 210 H ILE 29 H ILE 29 -3.597 1.514 1.211 211 HA ILE 29 HA ILE 29 -2.786 0.002 3.596 212 HB ILE 29 HB ILE 29 -1.298 0.714 1.026 213 HG12 ILE 29 1HG1 ILE 29 -1.037 -1.814 0.847 214 HG13 ILE 29 2HG1 ILE 29 -2.045 -1.977 2.274 215 HG21 ILE 29 1HG2 ILE 29 0.719 -0.464 1.897 216 HG22 ILE 29 2HG2 ILE 29 -0.046 -0.577 3.483 217 HG23 ILE 29 3HG2 ILE 29 0.356 1.004 2.811 218 HD11 ILE 29 3HD1 ILE 29 -3.259 -2.449 0.231 219 HD12 ILE 29 1HD1 ILE 29 -2.910 -0.832 -0.380 220 HD13 ILE 29 2HD1 ILE 29 -3.932 -1.039 1.044 221 H THR 30 H THR 30 -1.768 0.896 5.293 222 HA THR 30 HA THR 30 -1.368 3.781 5.452 223 HB THR 30 HB THR 30 -0.917 1.628 7.575 224 HG1 THR 30 HG1 THR 30 -3.188 2.376 6.543 225 HG21 THR 30 3HG2 THR 30 0.267 3.766 8.076 226 HG22 THR 30 1HG2 THR 30 -1.058 3.468 9.205 227 HG23 THR 30 2HG2 THR 30 -1.258 4.638 7.900 228 H LEU 31 H LEU 31 0.504 4.482 4.507 229 HA LEU 31 HA LEU 31 2.955 3.047 4.384 230 HB2 LEU 31 1HB LEU 31 2.510 6.054 4.182 231 HB3 LEU 31 2HB LEU 31 3.996 5.213 3.754 232 HG LEU 31 HG LEU 31 1.311 4.975 2.318 233 HD11 LEU 31 1HD1 LEU 31 2.445 7.088 1.861 234 HD12 LEU 31 2HD1 LEU 31 2.488 6.050 0.437 235 HD13 LEU 31 3HD1 LEU 31 3.933 6.234 1.434 236 HD21 LEU 31 3HD2 LEU 31 2.483 3.528 0.683 237 HD22 LEU 31 1HD2 LEU 31 2.443 2.797 2.287 238 HD23 LEU 31 2HD2 LEU 31 3.930 3.543 1.698 239 H LEU 32 H LEU 32 4.223 2.559 6.039 240 HA LEU 32 HA LEU 32 3.903 3.727 8.659 241 HB2 LEU 32 1HB LEU 32 5.826 1.631 7.579 242 HB3 LEU 32 2HB LEU 32 5.729 2.091 9.279 243 HG LEU 32 HG LEU 32 3.502 0.790 7.648 244 HD11 LEU 32 1HD1 LEU 32 5.181 -0.336 9.916 245 HD12 LEU 32 2HD1 LEU 32 5.253 -0.804 8.213 246 HD13 LEU 32 3HD1 LEU 32 3.802 -1.133 9.152 247 HD21 LEU 32 3HD2 LEU 32 2.534 2.363 9.243 248 HD22 LEU 32 1HD2 LEU 32 3.488 1.674 10.559 249 HD23 LEU 32 2HD2 LEU 32 2.228 0.716 9.778 250 H GLN 33 H GLN 33 6.166 4.055 6.001 251 HA GLN 33 HA GLN 33 7.610 6.164 7.473 252 HB2 GLN 33 1HB GLN 33 8.904 4.024 7.632 253 HB3 GLN 33 2HB GLN 33 8.939 3.927 5.876 254 HG2 GLN 33 1HG GLN 33 10.260 6.005 5.800 255 HG3 GLN 33 2HG GLN 33 10.238 6.086 7.558 256 HE21 GLN 33 2HE2 GLN 33 10.620 3.207 7.934 257 HE22 GLN 33 1HE2 GLN 33 12.259 2.878 7.519 258 H VAL 34 H VAL 34 8.026 7.909 6.262 259 HA VAL 34 HA VAL 34 7.833 7.833 3.330 260 HB VAL 34 HB VAL 34 6.632 10.112 3.428 261 HG11 VAL 34 1HG1 VAL 34 4.371 9.118 3.643 262 HG12 VAL 34 2HG1 VAL 34 5.070 7.686 4.404 263 HG13 VAL 34 3HG1 VAL 34 5.451 8.065 2.723 264 HG21 VAL 34 3HG2 VAL 34 7.015 10.651 5.818 265 HG22 VAL 34 1HG2 VAL 34 6.025 9.266 6.299 266 HG23 VAL 34 2HG2 VAL 34 5.288 10.631 5.455 267 HA PRO 35 HA PRO 35 11.637 9.964 5.089 268 HB2 PRO 35 1HB PRO 35 13.584 8.456 4.014 269 HB3 PRO 35 2HB PRO 35 12.597 7.843 5.349 270 HG2 PRO 35 1HG PRO 35 12.346 7.256 2.398 271 HG3 PRO 35 2HG PRO 35 12.267 6.130 3.769 272 HD2 PRO 35 1HD PRO 35 10.035 7.194 2.500 273 HD3 PRO 35 2HD PRO 35 10.036 6.587 4.171 274 H ASP 36 H ASP 36 10.661 9.317 1.863 275 HA ASP 36 HA ASP 36 11.843 11.629 0.650 276 HB2 ASP 36 1HB ASP 36 13.828 10.177 0.605 277 HB3 ASP 36 2HB ASP 36 12.893 8.840 -0.050 278 H GLY 37 H GLY 37 10.826 12.035 -1.369 279 HA2 GLY 37 1HA GLY 37 8.229 10.776 -1.680 280 HA3 GLY 37 2HA GLY 37 8.839 12.182 -2.537 281 H GLY 38 H GLY 38 9.758 8.713 -2.294 282 HA2 GLY 38 1HA GLY 38 9.739 8.507 -5.264 283 HA3 GLY 38 2HA GLY 38 10.916 7.691 -4.240 284 H TRP 39 H TRP 39 10.302 5.868 -3.043 285 HA TRP 39 HA TRP 39 7.520 4.905 -3.285 286 HB2 TRP 39 1HB TRP 39 8.223 2.659 -3.812 287 HB3 TRP 39 2HB TRP 39 9.013 3.720 -4.964 288 HD1 TRP 39 HD1 TRP 39 11.692 4.491 -3.638 289 HE1 TRP 39 HE1 TRP 39 13.459 2.730 -3.026 290 HE3 TRP 39 HE3 TRP 39 8.702 0.353 -3.480 291 HZ2 TRP 39 HZ2 TRP 39 13.594 -0.044 -2.564 292 HZ3 TRP 39 HZ3 TRP 39 9.727 -1.822 -2.959 293 HH2 TRP 39 HH2 TRP 39 12.126 -2.021 -2.511 294 H TRP 40 H TRP 40 6.891 3.499 -1.499 295 HA TRP 40 HA TRP 40 8.448 4.022 0.969 296 HB2 TRP 40 1HB TRP 40 5.448 4.520 0.735 297 HB3 TRP 40 2HB TRP 40 6.496 4.929 2.093 298 HD1 TRP 40 HD1 TRP 40 8.060 7.137 1.785 299 HE1 TRP 40 HE1 TRP 40 7.852 9.159 0.223 300 HE3 TRP 40 HE3 TRP 40 4.792 5.195 -1.617 301 HZ2 TRP 40 HZ2 TRP 40 6.526 9.839 -2.158 302 HZ3 TRP 40 HZ3 TRP 40 4.120 6.584 -3.529 303 HH2 TRP 40 HH2 TRP 40 4.971 8.859 -3.793 304 H GLU 41 H GLU 41 7.803 2.777 2.778 305 HA GLU 41 HA GLU 41 6.688 0.131 2.184 306 HB2 GLU 41 1HB GLU 41 7.512 -0.490 4.438 307 HB3 GLU 41 2HB GLU 41 8.808 0.186 3.456 308 HG2 GLU 41 1HG GLU 41 8.771 2.260 4.651 309 HG3 GLU 41 2HG GLU 41 7.258 1.855 5.456 310 H GLY 42 H GLY 42 4.997 -0.696 3.411 311 HA2 GLY 42 1HA GLY 42 3.394 0.958 5.200 312 HA3 GLY 42 2HA GLY 42 2.645 0.478 3.677 313 H GLU 43 H GLU 43 1.267 -0.409 5.644 314 HA GLU 43 HA GLU 43 1.897 -3.272 5.833 315 HB2 GLU 43 1HB GLU 43 1.515 -3.431 8.176 316 HB3 GLU 43 2HB GLU 43 2.682 -2.141 7.951 317 HG2 GLU 43 1HG GLU 43 1.105 -0.449 8.511 318 HG3 GLU 43 2HG GLU 43 -0.268 -1.532 8.288 319 H LYS 44 H LYS 44 0.152 -4.555 6.585 320 HA LYS 44 HA LYS 44 -2.583 -3.472 6.304 321 HB2 LYS 44 1HB LYS 44 -1.646 -5.396 4.722 322 HB3 LYS 44 2HB LYS 44 -1.899 -6.439 6.112 323 HG2 LYS 44 1HG LYS 44 -4.112 -4.723 4.948 324 HG3 LYS 44 2HG LYS 44 -3.737 -6.315 4.292 325 HD2 LYS 44 1HD LYS 44 -4.255 -7.352 6.459 326 HD3 LYS 44 2HD LYS 44 -4.547 -5.767 7.171 327 HE2 LYS 44 1HE LYS 44 -6.460 -5.435 5.640 328 HE3 LYS 44 2HE LYS 44 -6.172 -7.032 4.940 329 HZ1 LYS 44 3HZ LYS 44 -7.874 -7.270 6.525 330 HZ2 LYS 44 1HZ LYS 44 -7.027 -6.389 7.705 331 HZ3 LYS 44 2HZ LYS 44 -6.487 -7.929 7.243 332 H GLU 45 H GLU 45 -4.081 -4.274 7.914 333 HA GLU 45 HA GLU 45 -3.505 -4.101 10.580 334 HB2 GLU 45 1HB GLU 45 -5.684 -5.893 9.421 335 HB3 GLU 45 2HB GLU 45 -5.686 -5.146 11.021 336 HG2 GLU 45 1HG GLU 45 -5.899 -2.938 10.026 337 HG3 GLU 45 2HG GLU 45 -5.754 -3.622 8.405 338 H ASP 46 H ASP 46 -3.215 -7.004 8.624 339 HA ASP 46 HA ASP 46 -3.019 -8.920 10.753 340 HB2 ASP 46 1HB ASP 46 -2.404 -9.054 7.776 341 HB3 ASP 46 2HB ASP 46 -2.232 -10.450 8.842 342 H GLY 47 H GLY 47 -0.854 -6.565 10.016 343 HA2 GLY 47 1HA GLY 47 1.307 -6.257 10.849 344 HA3 GLY 47 2HA GLY 47 1.432 -7.985 11.153 345 H LEU 48 H LEU 48 0.273 -7.682 8.062 346 HA LEU 48 HA LEU 48 2.640 -8.670 6.835 347 HB2 LEU 48 1HB LEU 48 0.068 -7.595 5.598 348 HB3 LEU 48 2HB LEU 48 1.329 -8.437 4.698 349 HG LEU 48 HG LEU 48 -0.315 -9.666 6.955 350 HD11 LEU 48 1HD1 LEU 48 -1.707 -9.231 4.991 351 HD12 LEU 48 2HD1 LEU 48 -1.463 -10.959 5.219 352 HD13 LEU 48 3HD1 LEU 48 -0.567 -10.103 3.961 353 HD21 LEU 48 3HD2 LEU 48 0.688 -11.810 6.268 354 HD22 LEU 48 1HD2 LEU 48 1.916 -10.668 6.813 355 HD23 LEU 48 2HD2 LEU 48 1.700 -10.973 5.085 356 H ARG 49 H ARG 49 4.354 -7.536 6.143 357 HA ARG 49 HA ARG 49 4.165 -4.604 5.736 358 HB2 ARG 49 1HB ARG 49 6.674 -6.298 6.132 359 HB3 ARG 49 2HB ARG 49 6.575 -4.538 6.147 360 HG2 ARG 49 1HG ARG 49 5.410 -6.428 8.219 361 HG3 ARG 49 2HG ARG 49 6.873 -5.461 8.398 362 HD2 ARG 49 1HD ARG 49 5.451 -3.396 8.170 363 HD3 ARG 49 2HD ARG 49 4.017 -4.436 8.163 364 HE ARG 49 HE ARG 49 5.939 -4.368 10.422 365 HH11 ARG 49 1HH1 ARG 49 2.599 -4.337 9.320 366 HH12 ARG 49 2HH1 ARG 49 1.954 -4.164 10.917 367 HH21 ARG 49 1HH2 ARG 49 5.070 -4.197 12.502 368 HH22 ARG 49 2HH2 ARG 49 3.354 -4.129 12.723 369 H GLY 50 H GLY 50 4.769 -3.726 3.788 370 HA2 GLY 50 1HA GLY 50 6.401 -5.112 1.851 371 HA3 GLY 50 2HA GLY 50 4.716 -4.923 1.348 372 H TRP 51 H TRP 51 7.071 -3.765 0.160 373 HA TRP 51 HA TRP 51 6.554 -0.871 0.490 374 HB2 TRP 51 1HB TRP 51 9.115 -1.046 -0.674 375 HB3 TRP 51 2HB TRP 51 8.773 -0.658 1.003 376 HD1 TRP 51 HD1 TRP 51 9.736 -2.284 2.794 377 HE1 TRP 51 HE1 TRP 51 10.963 -4.536 2.736 378 HE3 TRP 51 HE3 TRP 51 9.191 -3.425 -2.186 379 HZ2 TRP 51 HZ2 TRP 51 11.610 -6.537 0.875 380 HZ3 TRP 51 HZ3 TRP 51 10.141 -5.540 -3.015 381 HH2 TRP 51 HH2 TRP 51 11.325 -7.062 -1.513 382 H PHE 52 H PHE 52 5.934 0.184 -1.318 383 HA PHE 52 HA PHE 52 5.982 -1.224 -3.909 384 HB2 PHE 52 1HB PHE 52 3.480 0.062 -2.697 385 HB3 PHE 52 2HB PHE 52 3.591 -0.646 -4.308 386 HD1 PHE 52 HD1 PHE 52 4.440 -3.164 -4.374 387 HD2 PHE 52 HD2 PHE 52 2.644 -1.299 -0.968 388 HE1 PHE 52 HE1 PHE 52 3.893 -5.374 -3.443 389 HE2 PHE 52 HE2 PHE 52 2.101 -3.512 -0.055 390 HZ PHE 52 HZ PHE 52 2.728 -5.547 -1.283 391 HA PRO 53 HA PRO 53 6.997 2.889 -5.648 392 HB2 PRO 53 1HB PRO 53 5.778 1.518 -8.050 393 HB3 PRO 53 2HB PRO 53 7.279 2.449 -7.930 394 HG2 PRO 53 1HG PRO 53 7.376 -0.204 -8.057 395 HG3 PRO 53 2HG PRO 53 8.457 0.666 -6.945 396 HD2 PRO 53 1HD PRO 53 5.912 -0.836 -6.341 397 HD3 PRO 53 2HD PRO 53 7.439 -0.791 -5.429 398 H ALA 54 H ALA 54 5.790 4.666 -6.344 399 HA ALA 54 HA ALA 54 3.155 4.951 -5.362 400 HB1 ALA 54 3HB ALA 54 4.807 6.794 -5.437 401 HB2 ALA 54 1HB ALA 54 3.290 7.247 -6.215 402 HB3 ALA 54 2HB ALA 54 4.696 6.823 -7.197 403 H SER 55 H SER 55 4.281 3.812 -8.398 404 HA SER 55 HA SER 55 2.139 4.580 -10.097 405 HB2 SER 55 1HB SER 55 4.336 3.799 -10.938 406 HB3 SER 55 2HB SER 55 4.000 2.178 -10.330 407 HG SER 55 HG SER 55 2.328 2.002 -11.802 408 H TYR 56 H TYR 56 2.453 2.024 -7.714 409 HA TYR 56 HA TYR 56 0.169 0.476 -8.650 410 HB2 TYR 56 1HB TYR 56 1.883 0.284 -6.134 411 HB3 TYR 56 2HB TYR 56 0.547 -0.804 -6.488 412 HD1 TYR 56 HD2 TYR 56 3.948 0.224 -7.581 413 HD2 TYR 56 HD1 TYR 56 0.796 -2.620 -8.082 414 HE1 TYR 56 HE2 TYR 56 5.460 -1.239 -8.856 415 HE2 TYR 56 HE1 TYR 56 2.308 -4.075 -9.359 416 HH TYR 56 HH TYR 56 5.678 -3.603 -9.434 417 H VAL 57 H VAL 57 0.764 3.113 -6.419 418 HA VAL 57 HA VAL 57 -1.974 2.941 -5.338 419 HB VAL 57 HB VAL 57 -1.056 3.495 -3.038 420 HG11 VAL 57 1HG1 VAL 57 -0.436 1.167 -2.436 421 HG12 VAL 57 2HG1 VAL 57 -0.236 0.778 -4.146 422 HG13 VAL 57 3HG1 VAL 57 -1.829 1.213 -3.522 423 HG21 VAL 57 3HG2 VAL 57 1.330 2.954 -2.519 424 HG22 VAL 57 1HG2 VAL 57 1.196 4.302 -3.657 425 HG23 VAL 57 2HG2 VAL 57 1.634 2.694 -4.240 426 H GLN 58 H GLN 58 -2.997 4.829 -5.510 427 HA GLN 58 HA GLN 58 -1.639 7.294 -6.158 428 HB2 GLN 58 1HB GLN 58 -3.784 6.706 -7.234 429 HB3 GLN 58 2HB GLN 58 -4.596 6.722 -5.679 430 HG2 GLN 58 1HG GLN 58 -5.070 8.750 -7.000 431 HG3 GLN 58 2HG GLN 58 -4.253 9.126 -5.482 432 HE21 GLN 58 2HE2 GLN 58 -3.879 8.987 -8.976 433 HE22 GLN 58 1HE2 GLN 58 -2.442 9.941 -9.058 434 H LEU 59 H LEU 59 -1.199 8.943 -4.834 435 HA LEU 59 HA LEU 59 -1.121 8.530 -2.000 436 HB2 LEU 59 1HB LEU 59 -0.363 10.962 -3.670 437 HB3 LEU 59 2HB LEU 59 0.090 10.688 -1.990 438 HG LEU 59 HG LEU 59 0.990 8.986 -4.356 439 HD11 LEU 59 1HD1 LEU 59 2.570 10.997 -2.716 440 HD12 LEU 59 2HD1 LEU 59 2.045 11.192 -4.390 441 HD13 LEU 59 3HD1 LEU 59 3.219 9.946 -3.979 442 HD21 LEU 59 3HD2 LEU 59 0.769 7.640 -2.308 443 HD22 LEU 59 1HD2 LEU 59 1.787 8.783 -1.425 444 HD23 LEU 59 2HD2 LEU 59 2.456 7.835 -2.754 445 H LEU 60 H LEU 60 -2.925 8.804 -0.817 446 HA LEU 60 HA LEU 60 -5.066 10.613 -1.493 447 HB2 LEU 60 1HB LEU 60 -4.587 9.035 1.070 448 HB3 LEU 60 2HB LEU 60 -6.095 9.824 0.615 449 HG LEU 60 HG LEU 60 -4.811 7.439 -0.790 450 HD11 LEU 60 1HD1 LEU 60 -7.358 7.583 0.849 451 HD12 LEU 60 2HD1 LEU 60 -5.841 6.817 1.328 452 HD13 LEU 60 3HD1 LEU 60 -6.758 6.171 -0.027 453 HD21 LEU 60 3HD2 LEU 60 -6.853 7.369 -2.201 454 HD22 LEU 60 1HD2 LEU 60 -5.904 8.833 -2.456 455 HD23 LEU 60 2HD2 LEU 60 -7.379 8.899 -1.491 Start of MODEL 12 1 H1 MET 1 1H MET 1 -5.017 15.128 10.566 2 H2 MET 1 2H MET 1 -4.018 14.828 11.893 3 H3 MET 1 3H MET 1 -5.267 15.961 12.017 4 HA MET 1 HA MET 1 -5.834 13.924 13.136 5 HB2 MET 1 1HB MET 1 -7.680 15.210 12.237 6 HB3 MET 1 2HB MET 1 -7.436 14.543 10.626 7 HG2 MET 1 1HG MET 1 -9.389 13.570 11.793 8 HG3 MET 1 2HG MET 1 -8.180 12.357 11.367 9 HE1 MET 1 3HE MET 1 -10.463 11.656 13.463 10 HE2 MET 1 1HE MET 1 -9.516 10.864 14.722 11 HE3 MET 1 2HE MET 1 -9.157 10.552 13.023 12 H SER 2 H SER 2 -5.622 13.342 9.609 13 HA SER 2 HA SER 2 -5.228 10.457 10.126 14 HB2 SER 2 1HB SER 2 -6.164 11.853 7.578 15 HB3 SER 2 2HB SER 2 -6.097 10.109 7.854 16 HG SER 2 HG SER 2 -7.791 12.029 9.043 17 H GLY 3 H GLY 3 -3.234 9.676 9.827 18 HA2 GLY 3 1HA GLY 3 -1.037 11.149 8.763 19 HA3 GLY 3 2HA GLY 3 -1.039 9.445 9.203 20 H ALA 4 H ALA 4 0.450 9.956 7.077 21 HA ALA 4 HA ALA 4 -0.804 10.147 4.539 22 HB1 ALA 4 3HB ALA 4 1.580 10.668 4.872 23 HB2 ALA 4 1HB ALA 4 1.371 9.446 3.611 24 HB3 ALA 4 2HB ALA 4 1.917 8.973 5.223 25 H ARG 5 H ARG 5 -2.300 8.728 3.943 26 HA ARG 5 HA ARG 5 -1.926 5.815 4.351 27 HB2 ARG 5 1HB ARG 5 -3.968 7.144 5.345 28 HB3 ARG 5 2HB ARG 5 -4.560 7.195 3.691 29 HG2 ARG 5 1HG ARG 5 -4.558 4.693 3.656 30 HG3 ARG 5 2HG ARG 5 -4.031 4.696 5.344 31 HD2 ARG 5 1HD ARG 5 -6.134 6.080 5.837 32 HD3 ARG 5 2HD ARG 5 -6.669 5.668 4.204 33 HE ARG 5 HE ARG 5 -5.958 3.334 5.678 34 HH11 ARG 5 1HH1 ARG 5 -8.566 5.631 5.203 35 HH12 ARG 5 2HH1 ARG 5 -9.752 4.617 5.950 36 HH21 ARG 5 1HH2 ARG 5 -7.522 2.031 6.663 37 HH22 ARG 5 2HH2 ARG 5 -9.159 2.583 6.788 38 H CYS 6 H CYS 6 -3.190 4.605 2.487 39 HA CYS 6 HA CYS 6 -2.735 5.739 -0.156 40 HB2 CYS 6 1HB CYS 6 -1.227 3.266 0.799 41 HB3 CYS 6 2HB CYS 6 -1.159 3.963 -0.821 42 HG CYS 6 HG CYS 6 -0.255 6.479 0.633 43 H ARG 7 H ARG 7 -3.681 4.533 -1.817 44 HA ARG 7 HA ARG 7 -5.330 2.183 -1.097 45 HB2 ARG 7 1HB ARG 7 -6.155 4.579 -2.794 46 HB3 ARG 7 2HB ARG 7 -7.021 3.043 -2.809 47 HG2 ARG 7 1HG ARG 7 -7.514 3.306 -0.396 48 HG3 ARG 7 2HG ARG 7 -6.682 4.864 -0.405 49 HD2 ARG 7 1HD ARG 7 -9.160 5.080 -0.569 50 HD3 ARG 7 2HD ARG 7 -8.324 5.776 -1.960 51 HE ARG 7 HE ARG 7 -8.853 3.602 -3.123 52 HH11 ARG 7 1HH1 ARG 7 -10.965 4.809 -0.592 53 HH12 ARG 7 2HH1 ARG 7 -12.361 3.979 -1.201 54 HH21 ARG 7 1HH2 ARG 7 -10.662 2.524 -3.912 55 HH22 ARG 7 2HH2 ARG 7 -12.184 2.672 -3.094 56 H THR 8 H THR 8 -5.037 0.506 -2.438 57 HA THR 8 HA THR 8 -3.296 0.700 -4.746 58 HB THR 8 HB THR 8 -3.773 -1.763 -4.977 59 HG1 THR 8 HG1 THR 8 -5.084 -2.746 -3.420 60 HG21 THR 8 3HG2 THR 8 -2.691 -2.487 -2.877 61 HG22 THR 8 1HG2 THR 8 -3.042 -0.921 -2.140 62 HG23 THR 8 2HG2 THR 8 -1.917 -1.028 -3.497 63 H LEU 9 H LEU 9 -3.959 1.160 -6.761 64 HA LEU 9 HA LEU 9 -6.656 1.908 -7.300 65 HB2 LEU 9 1HB LEU 9 -4.307 1.590 -9.214 66 HB3 LEU 9 2HB LEU 9 -5.817 2.413 -9.591 67 HG LEU 9 HG LEU 9 -3.803 3.298 -7.480 68 HD11 LEU 9 1HD1 LEU 9 -2.947 3.660 -9.739 69 HD12 LEU 9 2HD1 LEU 9 -3.320 5.188 -8.946 70 HD13 LEU 9 3HD1 LEU 9 -4.414 4.544 -10.176 71 HD21 LEU 9 3HD2 LEU 9 -6.391 4.618 -8.360 72 HD22 LEU 9 1HD2 LEU 9 -5.185 5.346 -7.295 73 HD23 LEU 9 2HD2 LEU 9 -6.050 3.902 -6.783 74 H TYR 10 H TYR 10 -4.612 -0.755 -8.430 75 HA TYR 10 HA TYR 10 -6.915 -2.468 -9.001 76 HB2 TYR 10 1HB TYR 10 -4.841 -1.623 -11.073 77 HB3 TYR 10 2HB TYR 10 -5.709 -3.145 -11.231 78 HD1 TYR 10 HD2 TYR 10 -8.321 -3.027 -11.175 79 HD2 TYR 10 HD1 TYR 10 -5.846 0.369 -11.971 80 HE1 TYR 10 HE2 TYR 10 -10.226 -1.881 -12.213 81 HE2 TYR 10 HE1 TYR 10 -7.758 1.519 -13.002 82 HH TYR 10 HH TYR 10 -9.919 0.916 -14.085 83 HA PRO 11 HA PRO 11 -4.204 -5.398 -7.076 84 HB2 PRO 11 1HB PRO 11 -5.284 -7.769 -7.724 85 HB3 PRO 11 2HB PRO 11 -6.234 -6.557 -6.851 86 HG2 PRO 11 1HG PRO 11 -6.279 -7.236 -9.787 87 HG3 PRO 11 2HG PRO 11 -7.642 -6.950 -8.685 88 HD2 PRO 11 1HD PRO 11 -6.582 -5.033 -10.401 89 HD3 PRO 11 2HD PRO 11 -7.511 -4.665 -8.937 90 H PHE 12 H PHE 12 -2.648 -7.184 -7.356 91 HA PHE 12 HA PHE 12 -1.690 -7.554 -10.151 92 HB2 PHE 12 1HB PHE 12 -0.080 -6.218 -8.791 93 HB3 PHE 12 2HB PHE 12 0.013 -7.517 -7.604 94 HD1 PHE 12 HD1 PHE 12 0.655 -6.743 -11.214 95 HD2 PHE 12 HD2 PHE 12 1.605 -9.280 -7.906 96 HE1 PHE 12 HE1 PHE 12 2.451 -7.787 -12.525 97 HE2 PHE 12 HE2 PHE 12 3.396 -10.314 -9.224 98 HZ PHE 12 HZ PHE 12 3.825 -9.575 -11.531 99 H SER 13 H SER 13 -2.631 -9.461 -10.646 100 HA SER 13 HA SER 13 -2.566 -11.706 -8.744 101 HB2 SER 13 1HB SER 13 -4.111 -11.365 -11.349 102 HB3 SER 13 2HB SER 13 -4.252 -12.735 -10.244 103 HG SER 13 HG SER 13 -5.308 -10.220 -10.083 104 H GLY 14 H GLY 14 -0.332 -12.109 -8.966 105 HA2 GLY 14 1HA GLY 14 0.405 -14.161 -10.687 106 HA3 GLY 14 2HA GLY 14 0.974 -12.667 -11.428 107 H GLU 15 H GLU 15 3.044 -13.685 -11.169 108 HA GLU 15 HA GLU 15 4.199 -14.139 -8.545 109 HB2 GLU 15 1HB GLU 15 5.450 -14.175 -11.333 110 HB3 GLU 15 2HB GLU 15 6.208 -14.782 -9.861 111 HG2 GLU 15 1HG GLU 15 4.675 -16.587 -9.683 112 HG3 GLU 15 2HG GLU 15 3.584 -15.888 -10.881 113 H ARG 16 H ARG 16 5.001 -12.526 -7.353 114 HA ARG 16 HA ARG 16 6.036 -10.052 -8.615 115 HB2 ARG 16 1HB ARG 16 5.526 -8.927 -6.500 116 HB3 ARG 16 2HB ARG 16 4.099 -9.748 -7.108 117 HG2 ARG 16 1HG ARG 16 5.042 -11.668 -5.418 118 HG3 ARG 16 2HG ARG 16 5.671 -10.228 -4.614 119 HD2 ARG 16 1HD ARG 16 3.526 -10.720 -3.640 120 HD3 ARG 16 2HD ARG 16 3.292 -9.293 -4.664 121 HE ARG 16 HE ARG 16 2.723 -11.977 -5.745 122 HH11 ARG 16 1HH1 ARG 16 1.415 -8.866 -4.749 123 HH12 ARG 16 2HH1 ARG 16 -0.139 -9.182 -5.451 124 HH21 ARG 16 1HH2 ARG 16 0.703 -12.356 -6.646 125 HH22 ARG 16 2HH2 ARG 16 -0.536 -11.145 -6.533 126 H HIS 17 H HIS 17 7.438 -12.547 -8.407 127 HA HIS 17 HA HIS 17 9.488 -13.355 -8.163 128 HB2 HIS 17 1HB HIS 17 10.272 -10.589 -7.178 129 HB3 HIS 17 2HB HIS 17 11.402 -11.854 -7.652 130 HD2 HIS 17 HD2 HIS 17 11.323 -12.477 -10.477 131 HE1 HIS 17 HE1 HIS 17 9.531 -8.764 -11.437 132 HE2 HIS 17 HE2 HIS 17 10.499 -10.910 -12.373 133 H GLY 18 H GLY 18 9.518 -11.164 -5.317 134 HA2 GLY 18 1HA GLY 18 9.141 -13.401 -3.465 135 HA3 GLY 18 2HA GLY 18 10.719 -12.617 -3.424 136 H GLN 19 H GLN 19 10.854 -10.395 -2.788 137 HA GLN 19 HA GLN 19 9.240 -9.738 -0.572 138 HB2 GLN 19 1HB GLN 19 11.577 -8.978 -0.776 139 HB3 GLN 19 2HB GLN 19 11.149 -7.970 -2.157 140 HG2 GLN 19 1HG GLN 19 9.625 -6.655 -0.655 141 HG3 GLN 19 2HG GLN 19 10.215 -7.603 0.713 142 HE21 GLN 19 2HE2 GLN 19 11.058 -5.752 1.744 143 HE22 GLN 19 1HE2 GLN 19 12.467 -4.940 1.161 144 H GLY 20 H GLY 20 7.228 -8.965 -0.573 145 HA2 GLY 20 1HA GLY 20 6.357 -6.637 -1.828 146 HA3 GLY 20 2HA GLY 20 5.881 -7.986 -2.863 147 H LEU 21 H LEU 21 3.750 -7.176 -2.395 148 HA LEU 21 HA LEU 21 2.555 -8.428 -0.016 149 HB2 LEU 21 1HB LEU 21 2.812 -5.993 0.449 150 HB3 LEU 21 2HB LEU 21 1.971 -5.613 -1.041 151 HG LEU 21 HG LEU 21 -0.114 -6.656 -0.097 152 HD11 LEU 21 1HD1 LEU 21 -0.264 -7.141 2.305 153 HD12 LEU 21 2HD1 LEU 21 1.476 -6.888 2.472 154 HD13 LEU 21 3HD1 LEU 21 0.866 -8.220 1.487 155 HD21 LEU 21 3HD2 LEU 21 0.214 -4.224 0.038 156 HD22 LEU 21 1HD2 LEU 21 1.044 -4.407 1.587 157 HD23 LEU 21 2HD2 LEU 21 -0.668 -4.819 1.443 158 H ARG 22 H ARG 22 0.645 -9.437 -0.470 159 HA ARG 22 HA ARG 22 -0.456 -9.383 -3.195 160 HB2 ARG 22 1HB ARG 22 -1.157 -11.092 -0.764 161 HB3 ARG 22 2HB ARG 22 -1.948 -11.220 -2.337 162 HG2 ARG 22 1HG ARG 22 0.191 -11.873 -3.375 163 HG3 ARG 22 2HG ARG 22 1.000 -11.712 -1.815 164 HD2 ARG 22 1HD ARG 22 -0.397 -13.530 -0.897 165 HD3 ARG 22 2HD ARG 22 -1.226 -13.684 -2.453 166 HE ARG 22 HE ARG 22 1.354 -14.027 -3.147 167 HH11 ARG 22 1HH1 ARG 22 -0.586 -15.576 -0.669 168 HH12 ARG 22 2HH1 ARG 22 0.346 -17.038 -0.689 169 HH21 ARG 22 1HH2 ARG 22 2.555 -15.935 -3.172 170 HH22 ARG 22 2HH2 ARG 22 2.120 -17.250 -2.130 171 H PHE 23 H PHE 23 -2.345 -8.365 -3.678 172 HA PHE 23 HA PHE 23 -4.021 -7.159 -1.637 173 HB2 PHE 23 1HB PHE 23 -3.626 -4.828 -2.469 174 HB3 PHE 23 2HB PHE 23 -2.214 -5.540 -1.703 175 HD1 PHE 23 HD1 PHE 23 -0.217 -6.140 -3.047 176 HD2 PHE 23 HD2 PHE 23 -3.609 -4.289 -4.874 177 HE1 PHE 23 HE1 PHE 23 1.137 -5.589 -5.019 178 HE2 PHE 23 HE2 PHE 23 -2.244 -3.742 -6.839 179 HZ PHE 23 HZ PHE 23 0.129 -4.386 -6.916 180 H ALA 24 H ALA 24 -6.030 -6.713 -2.315 181 HA ALA 24 HA ALA 24 -6.902 -7.097 -5.073 182 HB1 ALA 24 3HB ALA 24 -8.468 -6.364 -2.571 183 HB2 ALA 24 1HB ALA 24 -8.270 -7.990 -3.223 184 HB3 ALA 24 2HB ALA 24 -9.173 -6.779 -4.138 185 H ALA 25 H ALA 25 -8.441 -5.318 -5.996 186 HA ALA 25 HA ALA 25 -7.207 -2.717 -5.964 187 HB1 ALA 25 3HB ALA 25 -8.373 -3.520 -7.970 188 HB2 ALA 25 1HB ALA 25 -9.096 -2.017 -7.404 189 HB3 ALA 25 2HB ALA 25 -9.903 -3.558 -7.098 190 H GLY 26 H GLY 26 -7.346 -1.431 -4.199 191 HA2 GLY 26 1HA GLY 26 -8.729 0.309 -3.210 192 HA3 GLY 26 2HA GLY 26 -10.011 -0.872 -2.999 193 H GLU 27 H GLU 27 -6.807 -1.937 -2.283 194 HA GLU 27 HA GLU 27 -7.418 -2.421 0.458 195 HB2 GLU 27 1HB GLU 27 -4.721 -2.560 -0.945 196 HB3 GLU 27 2HB GLU 27 -5.074 -3.206 0.655 197 HG2 GLU 27 1HG GLU 27 -6.257 -4.137 -1.966 198 HG3 GLU 27 2HG GLU 27 -5.040 -4.973 -1.013 199 H LEU 28 H LEU 28 -7.200 -1.157 2.141 200 HA LEU 28 HA LEU 28 -6.080 1.518 1.923 201 HB2 LEU 28 1HB LEU 28 -7.438 0.136 4.273 202 HB3 LEU 28 2HB LEU 28 -7.100 1.859 4.142 203 HG LEU 28 HG LEU 28 -9.016 0.317 2.339 204 HD11 LEU 28 1HD1 LEU 28 -9.685 2.202 4.611 205 HD12 LEU 28 2HD1 LEU 28 -9.891 0.449 4.611 206 HD13 LEU 28 3HD1 LEU 28 -10.831 1.441 3.501 207 HD21 LEU 28 3HD2 LEU 28 -8.023 2.240 1.189 208 HD22 LEU 28 1HD2 LEU 28 -8.514 3.307 2.509 209 HD23 LEU 28 2HD2 LEU 28 -9.733 2.510 1.509 210 H ILE 29 H ILE 29 -3.908 1.455 1.976 211 HA ILE 29 HA ILE 29 -2.444 -0.063 4.055 212 HB ILE 29 HB ILE 29 -1.185 1.370 1.658 213 HG12 ILE 29 1HG1 ILE 29 -2.843 -0.242 0.725 214 HG13 ILE 29 2HG1 ILE 29 -1.194 -0.729 0.359 215 HG21 ILE 29 1HG2 ILE 29 0.675 -0.232 2.033 216 HG22 ILE 29 2HG2 ILE 29 -0.200 -0.924 3.400 217 HG23 ILE 29 3HG2 ILE 29 0.350 0.752 3.462 218 HD11 ILE 29 3HD1 ILE 29 -2.583 -2.622 0.931 219 HD12 ILE 29 1HD1 ILE 29 -2.958 -1.909 2.499 220 HD13 ILE 29 2HD1 ILE 29 -1.305 -2.411 2.126 221 H THR 30 H THR 30 -1.176 1.124 5.564 222 HA THR 30 HA THR 30 -1.322 4.092 5.370 223 HB THR 30 HB THR 30 -1.007 2.433 7.919 224 HG1 THR 30 HG1 THR 30 -3.067 2.116 7.033 225 HG21 THR 30 3HG2 THR 30 -1.633 5.387 7.506 226 HG22 THR 30 1HG2 THR 30 -0.102 4.735 8.098 227 HG23 THR 30 2HG2 THR 30 -1.570 4.555 9.062 228 H LEU 31 H LEU 31 0.570 4.996 4.839 229 HA LEU 31 HA LEU 31 3.067 3.726 4.729 230 HB2 LEU 31 1HB LEU 31 2.320 6.671 4.741 231 HB3 LEU 31 2HB LEU 31 3.993 6.145 4.609 232 HG LEU 31 HG LEU 31 1.799 5.411 2.624 233 HD11 LEU 31 1HD1 LEU 31 2.912 6.970 1.076 234 HD12 LEU 31 2HD1 LEU 31 4.018 7.468 2.360 235 HD13 LEU 31 3HD1 LEU 31 2.289 7.801 2.500 236 HD21 LEU 31 3HD2 LEU 31 3.659 4.582 1.215 237 HD22 LEU 31 1HD2 LEU 31 3.545 3.692 2.732 238 HD23 LEU 31 2HD2 LEU 31 4.800 4.915 2.519 239 H LEU 32 H LEU 32 4.406 3.146 6.260 240 HA LEU 32 HA LEU 32 4.115 3.884 9.019 241 HB2 LEU 32 1HB LEU 32 6.322 2.321 7.607 242 HB3 LEU 32 2HB LEU 32 6.089 2.406 9.350 243 HG LEU 32 HG LEU 32 4.219 1.090 7.338 244 HD11 LEU 32 1HD1 LEU 32 4.798 -1.006 8.462 245 HD12 LEU 32 2HD1 LEU 32 5.934 -0.152 9.511 246 HD13 LEU 32 3HD1 LEU 32 6.224 -0.234 7.769 247 HD21 LEU 32 3HD2 LEU 32 2.877 2.119 9.086 248 HD22 LEU 32 1HD2 LEU 32 3.875 1.377 10.340 249 HD23 LEU 32 2HD2 LEU 32 2.878 0.373 9.291 250 H GLN 33 H GLN 33 6.498 4.429 6.454 251 HA GLN 33 HA GLN 33 7.198 7.039 7.479 252 HB2 GLN 33 1HB GLN 33 9.628 6.578 7.640 253 HB3 GLN 33 2HB GLN 33 8.724 5.612 8.798 254 HG2 GLN 33 1HG GLN 33 8.953 3.634 7.406 255 HG3 GLN 33 2HG GLN 33 9.740 4.566 6.137 256 HE21 GLN 33 2HE2 GLN 33 11.419 6.103 7.989 257 HE22 GLN 33 1HE2 GLN 33 12.633 5.008 8.539 258 H VAL 34 H VAL 34 8.741 8.129 5.998 259 HA VAL 34 HA VAL 34 8.596 7.154 3.207 260 HB VAL 34 HB VAL 34 8.507 9.602 2.503 261 HG11 VAL 34 1HG1 VAL 34 6.492 8.178 2.446 262 HG12 VAL 34 2HG1 VAL 34 6.072 9.840 2.862 263 HG13 VAL 34 3HG1 VAL 34 6.128 8.604 4.122 264 HG21 VAL 34 3HG2 VAL 34 9.272 10.682 4.598 265 HG22 VAL 34 1HG2 VAL 34 7.816 10.125 5.428 266 HG23 VAL 34 2HG2 VAL 34 7.692 11.303 4.117 267 HA PRO 35 HA PRO 35 13.011 7.639 4.538 268 HB2 PRO 35 1HB PRO 35 13.990 5.269 3.741 269 HB3 PRO 35 2HB PRO 35 12.905 5.372 5.139 270 HG2 PRO 35 1HG PRO 35 12.245 4.591 2.292 271 HG3 PRO 35 2HG PRO 35 11.761 3.796 3.806 272 HD2 PRO 35 1HD PRO 35 10.146 5.576 2.418 273 HD3 PRO 35 2HD PRO 35 10.007 5.277 4.165 274 H ASP 36 H ASP 36 11.689 7.132 1.339 275 HA ASP 36 HA ASP 36 14.016 8.215 -0.030 276 HB2 ASP 36 1HB ASP 36 14.688 5.861 0.206 277 HB3 ASP 36 2HB ASP 36 13.135 5.312 -0.400 278 H GLY 37 H GLY 37 13.506 9.023 -2.052 279 HA2 GLY 37 1HA GLY 37 10.673 9.299 -2.727 280 HA3 GLY 37 2HA GLY 37 12.018 10.184 -3.426 281 H GLY 38 H GLY 38 10.970 6.777 -3.193 282 HA2 GLY 38 1HA GLY 38 10.611 6.414 -6.006 283 HA3 GLY 38 2HA GLY 38 12.158 5.740 -5.480 284 H TRP 39 H TRP 39 11.807 4.631 -3.181 285 HA TRP 39 HA TRP 39 9.376 2.934 -3.226 286 HB2 TRP 39 1HB TRP 39 12.225 2.242 -2.410 287 HB3 TRP 39 2HB TRP 39 10.859 1.302 -1.829 288 HD1 TRP 39 HD1 TRP 39 12.580 2.228 -5.202 289 HE1 TRP 39 HE1 TRP 39 12.127 0.320 -6.861 290 HE3 TRP 39 HE3 TRP 39 9.431 -0.636 -2.340 291 HZ2 TRP 39 HZ2 TRP 39 10.647 -2.076 -6.966 292 HZ3 TRP 39 HZ3 TRP 39 8.543 -2.726 -3.302 293 HH2 TRP 39 HH2 TRP 39 9.141 -3.434 -5.569 294 H TRP 40 H TRP 40 8.087 3.234 -1.562 295 HA TRP 40 HA TRP 40 9.114 4.221 1.046 296 HB2 TRP 40 1HB TRP 40 6.304 4.570 -0.106 297 HB3 TRP 40 2HB TRP 40 6.881 5.206 1.429 298 HD1 TRP 40 HD1 TRP 40 8.247 7.470 1.361 299 HE1 TRP 40 HE1 TRP 40 8.643 9.232 -0.445 300 HE3 TRP 40 HE3 TRP 40 6.748 4.808 -2.735 301 HZ2 TRP 40 HZ2 TRP 40 8.381 9.483 -3.235 302 HZ3 TRP 40 HZ3 TRP 40 6.841 5.879 -4.937 303 HH2 TRP 40 HH2 TRP 40 7.654 8.174 -5.187 304 H GLU 41 H GLU 41 7.581 3.304 2.878 305 HA GLU 41 HA GLU 41 6.491 0.659 2.132 306 HB2 GLU 41 1HB GLU 41 8.293 1.158 4.543 307 HB3 GLU 41 2HB GLU 41 7.366 -0.318 4.279 308 HG2 GLU 41 1HG GLU 41 8.632 -0.570 2.078 309 HG3 GLU 41 2HG GLU 41 9.678 0.738 2.634 310 H GLY 42 H GLY 42 4.593 0.222 2.893 311 HA2 GLY 42 1HA GLY 42 3.476 1.628 5.249 312 HA3 GLY 42 2HA GLY 42 2.538 1.317 3.789 313 H GLU 43 H GLU 43 1.592 0.376 6.149 314 HA GLU 43 HA GLU 43 2.022 -2.547 5.977 315 HB2 GLU 43 1HB GLU 43 3.050 -1.506 8.034 316 HB3 GLU 43 2HB GLU 43 1.452 -0.965 8.530 317 HG2 GLU 43 1HG GLU 43 0.704 -3.244 8.841 318 HG3 GLU 43 2HG GLU 43 2.173 -3.885 8.106 319 H LYS 44 H LYS 44 0.226 -3.818 6.341 320 HA LYS 44 HA LYS 44 -2.382 -2.639 5.761 321 HB2 LYS 44 1HB LYS 44 -1.065 -5.155 5.156 322 HB3 LYS 44 2HB LYS 44 -2.502 -5.539 6.087 323 HG2 LYS 44 1HG LYS 44 -2.356 -4.067 3.446 324 HG3 LYS 44 2HG LYS 44 -3.069 -5.651 3.771 325 HD2 LYS 44 1HD LYS 44 -4.682 -4.343 5.372 326 HD3 LYS 44 2HD LYS 44 -4.116 -2.900 4.522 327 HE2 LYS 44 1HE LYS 44 -6.178 -3.673 3.506 328 HE3 LYS 44 2HE LYS 44 -4.852 -3.937 2.373 329 HZ1 LYS 44 3HZ LYS 44 -5.904 -6.044 4.183 330 HZ2 LYS 44 1HZ LYS 44 -4.817 -6.234 2.895 331 HZ3 LYS 44 2HZ LYS 44 -6.427 -5.828 2.588 332 H GLU 45 H GLU 45 -4.290 -3.314 7.012 333 HA GLU 45 HA GLU 45 -4.121 -3.268 9.834 334 HB2 GLU 45 1HB GLU 45 -6.344 -4.173 7.959 335 HB3 GLU 45 2HB GLU 45 -6.558 -3.990 9.697 336 HG2 GLU 45 1HG GLU 45 -5.810 -1.771 7.765 337 HG3 GLU 45 2HG GLU 45 -7.419 -2.046 8.434 338 H ASP 46 H ASP 46 -3.966 -5.850 7.525 339 HA ASP 46 HA ASP 46 -4.421 -8.138 9.093 340 HB2 ASP 46 1HB ASP 46 -2.494 -7.776 6.747 341 HB3 ASP 46 2HB ASP 46 -3.066 -9.325 7.365 342 H GLY 47 H GLY 47 -1.760 -5.940 9.036 343 HA2 GLY 47 1HA GLY 47 -0.254 -5.753 10.865 344 HA3 GLY 47 2HA GLY 47 -0.314 -7.495 11.096 345 H LEU 48 H LEU 48 -0.112 -7.711 8.030 346 HA LEU 48 HA LEU 48 2.783 -7.881 7.882 347 HB2 LEU 48 1HB LEU 48 0.603 -8.509 5.836 348 HB3 LEU 48 2HB LEU 48 2.315 -8.718 5.523 349 HG LEU 48 HG LEU 48 1.473 -10.878 6.012 350 HD11 LEU 48 1HD1 LEU 48 2.707 -11.577 7.983 351 HD12 LEU 48 2HD1 LEU 48 2.804 -9.908 8.547 352 HD13 LEU 48 3HD1 LEU 48 3.628 -10.389 7.061 353 HD21 LEU 48 3HD2 LEU 48 0.146 -9.781 8.512 354 HD22 LEU 48 1HD2 LEU 48 0.172 -11.474 8.005 355 HD23 LEU 48 2HD2 LEU 48 -0.667 -10.274 7.023 356 H ARG 49 H ARG 49 4.118 -6.494 6.887 357 HA ARG 49 HA ARG 49 2.967 -4.123 5.547 358 HB2 ARG 49 1HB ARG 49 4.980 -2.912 6.106 359 HB3 ARG 49 2HB ARG 49 4.360 -3.659 7.573 360 HG2 ARG 49 1HG ARG 49 6.081 -5.435 7.380 361 HG3 ARG 49 2HG ARG 49 6.699 -4.658 5.917 362 HD2 ARG 49 1HD ARG 49 7.126 -2.580 7.294 363 HD3 ARG 49 2HD ARG 49 6.693 -3.514 8.730 364 HE ARG 49 HE ARG 49 8.602 -4.930 8.334 365 HH11 ARG 49 1HH1 ARG 49 8.571 -1.967 6.444 366 HH12 ARG 49 2HH1 ARG 49 10.272 -2.000 6.133 367 HH21 ARG 49 1HH2 ARG 49 10.831 -4.948 7.936 368 HH22 ARG 49 2HH2 ARG 49 11.555 -3.676 7.010 369 H GLY 50 H GLY 50 3.703 -3.474 3.620 370 HA2 GLY 50 1HA GLY 50 5.976 -4.219 2.214 371 HA3 GLY 50 2HA GLY 50 4.685 -5.318 1.707 372 H TRP 51 H TRP 51 5.985 -3.250 0.108 373 HA TRP 51 HA TRP 51 3.662 -1.797 -0.781 374 HB2 TRP 51 1HB TRP 51 5.067 -0.556 1.266 375 HB3 TRP 51 2HB TRP 51 5.885 0.122 -0.131 376 HD1 TRP 51 HD1 TRP 51 2.242 -0.297 1.150 377 HE1 TRP 51 HE1 TRP 51 0.918 1.799 0.499 378 HE3 TRP 51 HE3 TRP 51 5.862 2.168 -1.450 379 HZ2 TRP 51 HZ2 TRP 51 1.338 4.172 -0.942 380 HZ3 TRP 51 HZ3 TRP 51 5.304 4.335 -2.442 381 HH2 TRP 51 HH2 TRP 51 3.103 5.329 -2.195 382 H PHE 52 H PHE 52 4.407 -0.135 -2.481 383 HA PHE 52 HA PHE 52 6.494 -1.106 -4.282 384 HB2 PHE 52 1HB PHE 52 3.517 -1.190 -5.042 385 HB3 PHE 52 2HB PHE 52 4.840 -1.388 -6.181 386 HD1 PHE 52 HD2 PHE 52 6.354 -3.427 -5.985 387 HD2 PHE 52 HD1 PHE 52 2.708 -3.061 -3.777 388 HE1 PHE 52 HE2 PHE 52 6.340 -5.859 -5.594 389 HE2 PHE 52 HE1 PHE 52 2.706 -5.486 -3.386 390 HZ PHE 52 HZ PHE 52 4.515 -6.885 -4.291 391 HA PRO 53 HA PRO 53 6.982 3.238 -5.324 392 HB2 PRO 53 1HB PRO 53 6.505 2.335 -8.188 393 HB3 PRO 53 2HB PRO 53 7.729 3.454 -7.559 394 HG2 PRO 53 1HG PRO 53 8.394 0.947 -8.107 395 HG3 PRO 53 2HG PRO 53 9.020 1.719 -6.633 396 HD2 PRO 53 1HD PRO 53 6.861 -0.345 -6.927 397 HD3 PRO 53 2HD PRO 53 8.018 -0.109 -5.600 398 H ALA 54 H ALA 54 5.779 5.095 -5.818 399 HA ALA 54 HA ALA 54 3.064 4.941 -5.161 400 HB1 ALA 54 3HB ALA 54 4.479 6.907 -4.665 401 HB2 ALA 54 1HB ALA 54 2.988 7.374 -5.490 402 HB3 ALA 54 2HB ALA 54 4.512 7.313 -6.381 403 H SER 55 H SER 55 4.554 4.841 -8.290 404 HA SER 55 HA SER 55 2.531 5.663 -10.031 405 HB2 SER 55 1HB SER 55 4.550 3.428 -10.476 406 HB3 SER 55 2HB SER 55 3.717 4.357 -11.726 407 HG SER 55 HG SER 55 5.964 4.983 -11.010 408 H TYR 56 H TYR 56 2.814 2.664 -8.224 409 HA TYR 56 HA TYR 56 0.796 1.188 -9.686 410 HB2 TYR 56 1HB TYR 56 2.212 0.662 -7.039 411 HB3 TYR 56 2HB TYR 56 1.044 -0.445 -7.745 412 HD1 TYR 56 HD2 TYR 56 1.597 -1.669 -9.865 413 HD2 TYR 56 HD1 TYR 56 4.513 0.752 -7.887 414 HE1 TYR 56 HE2 TYR 56 3.372 -2.786 -11.126 415 HE2 TYR 56 HE1 TYR 56 6.294 -0.374 -9.157 416 HH TYR 56 HH TYR 56 6.613 -2.592 -10.309 417 H VAL 57 H VAL 57 0.805 3.420 -7.003 418 HA VAL 57 HA VAL 57 -1.914 2.574 -6.140 419 HB VAL 57 HB VAL 57 -1.218 3.150 -3.786 420 HG11 VAL 57 1HG1 VAL 57 0.447 0.950 -5.083 421 HG12 VAL 57 2HG1 VAL 57 -1.207 0.788 -4.489 422 HG13 VAL 57 3HG1 VAL 57 0.108 1.093 -3.353 423 HG21 VAL 57 3HG2 VAL 57 1.582 3.343 -4.979 424 HG22 VAL 57 1HG2 VAL 57 1.201 3.365 -3.256 425 HG23 VAL 57 2HG2 VAL 57 0.650 4.676 -4.296 426 H GLN 58 H GLN 58 -2.576 4.388 -4.366 427 HA GLN 58 HA GLN 58 -2.277 7.101 -5.510 428 HB2 GLN 58 1HB GLN 58 -4.578 6.228 -5.833 429 HB3 GLN 58 2HB GLN 58 -4.692 5.828 -4.125 430 HG2 GLN 58 1HG GLN 58 -5.955 7.804 -4.440 431 HG3 GLN 58 2HG GLN 58 -4.477 8.300 -3.626 432 HE21 GLN 58 2HE2 GLN 58 -6.290 9.952 -5.103 433 HE22 GLN 58 1HE2 GLN 58 -5.411 10.636 -6.423 434 H LEU 59 H LEU 59 -1.718 8.691 -4.041 435 HA LEU 59 HA LEU 59 -1.225 7.921 -1.229 436 HB2 LEU 59 1HB LEU 59 -0.114 10.231 -2.886 437 HB3 LEU 59 2HB LEU 59 0.248 9.953 -1.186 438 HG LEU 59 HG LEU 59 0.987 8.058 -3.457 439 HD11 LEU 59 1HD1 LEU 59 2.297 10.117 -3.567 440 HD12 LEU 59 2HD1 LEU 59 3.303 8.758 -3.076 441 HD13 LEU 59 3HD1 LEU 59 2.766 9.937 -1.874 442 HD21 LEU 59 3HD2 LEU 59 1.691 7.926 -0.506 443 HD22 LEU 59 1HD2 LEU 59 2.331 6.867 -1.767 444 HD23 LEU 59 2HD2 LEU 59 0.615 6.832 -1.379 445 H LEU 60 H LEU 60 -2.700 8.571 0.173 446 HA LEU 60 HA LEU 60 -3.828 11.268 0.028 447 HB2 LEU 60 1HB LEU 60 -6.081 10.415 0.772 448 HB3 LEU 60 2HB LEU 60 -5.670 10.076 -0.893 449 HG LEU 60 HG LEU 60 -5.456 7.968 1.307 450 HD11 LEU 60 1HD1 LEU 60 -7.612 7.075 0.544 451 HD12 LEU 60 2HD1 LEU 60 -7.812 8.450 -0.547 452 HD13 LEU 60 3HD1 LEU 60 -7.784 8.703 1.201 453 HD21 LEU 60 3HD2 LEU 60 -5.581 7.687 -1.714 454 HD22 LEU 60 1HD2 LEU 60 -5.506 6.359 -0.547 455 HD23 LEU 60 2HD2 LEU 60 -4.149 7.470 -0.703 Start of MODEL 13 1 H1 MET 1 1H MET 1 5.591 12.332 12.773 2 H2 MET 1 2H MET 1 4.740 10.886 12.974 3 H3 MET 1 3H MET 1 4.585 12.120 14.117 4 HA MET 1 HA MET 1 2.647 12.037 12.722 5 HB2 MET 1 1HB MET 1 4.430 14.442 12.138 6 HB3 MET 1 2HB MET 1 2.687 14.403 11.901 7 HG2 MET 1 1HG MET 1 2.379 14.085 14.331 8 HG3 MET 1 2HG MET 1 4.128 14.164 14.552 9 HE1 MET 1 3HE MET 1 4.848 17.901 13.442 10 HE2 MET 1 1HE MET 1 4.869 16.487 12.390 11 HE3 MET 1 2HE MET 1 5.578 16.396 14.003 12 H SER 2 H SER 2 2.035 11.016 10.904 13 HA SER 2 HA SER 2 3.269 11.678 8.330 14 HB2 SER 2 1HB SER 2 4.452 9.609 9.134 15 HB3 SER 2 2HB SER 2 2.902 8.781 9.238 16 HG SER 2 HG SER 2 3.128 8.342 7.201 17 H GLY 3 H GLY 3 1.312 12.845 8.042 18 HA2 GLY 3 1HA GLY 3 -1.241 11.451 7.833 19 HA3 GLY 3 2HA GLY 3 -0.915 13.135 7.439 20 H ALA 4 H ALA 4 0.127 9.918 6.353 21 HA ALA 4 HA ALA 4 -0.181 10.683 3.521 22 HB1 ALA 4 3HB ALA 4 2.205 10.957 4.120 23 HB2 ALA 4 1HB ALA 4 1.986 9.616 2.994 24 HB3 ALA 4 2HB ALA 4 2.258 9.296 4.709 25 H ARG 5 H ARG 5 -1.645 9.336 2.763 26 HA ARG 5 HA ARG 5 -1.498 6.438 3.328 27 HB2 ARG 5 1HB ARG 5 -3.998 8.171 3.109 28 HB3 ARG 5 2HB ARG 5 -4.039 6.411 3.005 29 HG2 ARG 5 1HG ARG 5 -3.170 6.256 5.311 30 HG3 ARG 5 2HG ARG 5 -3.113 8.019 5.411 31 HD2 ARG 5 1HD ARG 5 -5.567 8.121 5.118 32 HD3 ARG 5 2HD ARG 5 -5.634 6.358 4.994 33 HE ARG 5 HE ARG 5 -5.016 6.196 7.289 34 HH11 ARG 5 1HH1 ARG 5 -5.719 9.514 6.345 35 HH12 ARG 5 2HH1 ARG 5 -5.972 10.041 7.975 36 HH21 ARG 5 1HH2 ARG 5 -5.342 6.895 9.404 37 HH22 ARG 5 2HH2 ARG 5 -5.773 8.545 9.712 38 H CYS 6 H CYS 6 -2.135 5.128 1.627 39 HA CYS 6 HA CYS 6 -2.454 6.330 -1.056 40 HB2 CYS 6 1HB CYS 6 -0.998 3.748 -0.327 41 HB3 CYS 6 2HB CYS 6 -1.243 4.366 -1.961 42 HG CYS 6 HG CYS 6 0.221 6.632 -0.074 43 H ARG 7 H ARG 7 -3.424 4.571 -2.548 44 HA ARG 7 HA ARG 7 -5.163 2.593 -1.349 45 HB2 ARG 7 1HB ARG 7 -6.442 4.747 -1.165 46 HB3 ARG 7 2HB ARG 7 -6.324 4.955 -2.901 47 HG2 ARG 7 1HG ARG 7 -7.624 2.443 -1.883 48 HG3 ARG 7 2HG ARG 7 -8.508 3.961 -1.706 49 HD2 ARG 7 1HD ARG 7 -7.442 2.822 -4.318 50 HD3 ARG 7 2HD ARG 7 -9.123 2.788 -3.789 51 HE ARG 7 HE ARG 7 -9.003 5.293 -3.851 52 HH11 ARG 7 1HH1 ARG 7 -6.876 3.407 -5.949 53 HH12 ARG 7 2HH1 ARG 7 -6.778 4.662 -7.145 54 HH21 ARG 7 1HH2 ARG 7 -8.817 6.909 -5.423 55 HH22 ARG 7 2HH2 ARG 7 -7.871 6.623 -6.845 56 H THR 8 H THR 8 -5.272 0.909 -2.758 57 HA THR 8 HA THR 8 -3.590 0.833 -5.034 58 HB THR 8 HB THR 8 -4.568 -1.515 -5.323 59 HG1 THR 8 HG1 THR 8 -5.764 -1.932 -3.095 60 HG21 THR 8 3HG2 THR 8 -3.564 -0.848 -2.530 61 HG22 THR 8 1HG2 THR 8 -2.540 -1.134 -3.942 62 HG23 THR 8 2HG2 THR 8 -3.539 -2.436 -3.297 63 H LEU 9 H LEU 9 -4.089 0.537 -7.191 64 HA LEU 9 HA LEU 9 -6.467 1.856 -8.160 65 HB2 LEU 9 1HB LEU 9 -4.138 0.554 -9.621 66 HB3 LEU 9 2HB LEU 9 -5.397 1.514 -10.391 67 HG LEU 9 HG LEU 9 -3.415 2.564 -8.325 68 HD11 LEU 9 1HD1 LEU 9 -3.454 2.990 -11.330 69 HD12 LEU 9 2HD1 LEU 9 -2.286 2.029 -10.417 70 HD13 LEU 9 3HD1 LEU 9 -2.365 3.771 -10.179 71 HD21 LEU 9 3HD2 LEU 9 -5.507 4.055 -9.953 72 HD22 LEU 9 1HD2 LEU 9 -4.293 4.797 -8.903 73 HD23 LEU 9 2HD2 LEU 9 -5.539 3.766 -8.211 74 H TYR 10 H TYR 10 -4.957 -1.338 -8.775 75 HA TYR 10 HA TYR 10 -7.578 -2.611 -9.186 76 HB2 TYR 10 1HB TYR 10 -5.335 -2.523 -11.272 77 HB3 TYR 10 2HB TYR 10 -6.728 -3.588 -11.377 78 HD1 TYR 10 HD2 TYR 10 -9.097 -2.398 -11.278 79 HD2 TYR 10 HD1 TYR 10 -5.472 -0.401 -12.362 80 HE1 TYR 10 HE2 TYR 10 -10.399 -0.622 -12.366 81 HE2 TYR 10 HE1 TYR 10 -6.783 1.380 -13.439 82 HH TYR 10 HH TYR 10 -8.999 1.695 -14.432 83 HA PRO 11 HA PRO 11 -5.730 -6.157 -7.165 84 HB2 PRO 11 1HB PRO 11 -6.531 -8.034 -9.364 85 HB3 PRO 11 2HB PRO 11 -6.991 -8.041 -7.657 86 HG2 PRO 11 1HG PRO 11 -8.735 -7.295 -9.555 87 HG3 PRO 11 2HG PRO 11 -8.701 -6.490 -7.974 88 HD2 PRO 11 1HD PRO 11 -7.561 -5.545 -10.602 89 HD3 PRO 11 2HD PRO 11 -8.456 -4.632 -9.363 90 H PHE 12 H PHE 12 -3.580 -6.474 -7.067 91 HA PHE 12 HA PHE 12 -1.956 -6.813 -9.485 92 HB2 PHE 12 1HB PHE 12 -0.024 -6.423 -8.086 93 HB3 PHE 12 2HB PHE 12 -1.225 -5.213 -7.666 94 HD1 PHE 12 HD1 PHE 12 -2.714 -5.730 -5.555 95 HD2 PHE 12 HD2 PHE 12 1.004 -7.686 -6.369 96 HE1 PHE 12 HE1 PHE 12 -2.518 -6.370 -3.192 97 HE2 PHE 12 HE2 PHE 12 1.185 -8.314 -3.999 98 HZ PHE 12 HZ PHE 12 -0.577 -7.657 -2.412 99 H SER 13 H SER 13 -0.799 -8.673 -9.913 100 HA SER 13 HA SER 13 -1.287 -11.051 -8.210 101 HB2 SER 13 1HB SER 13 -1.307 -10.977 -11.267 102 HB3 SER 13 2HB SER 13 -1.507 -12.421 -10.267 103 HG SER 13 HG SER 13 -3.295 -10.380 -10.848 104 H GLY 14 H GLY 14 0.668 -10.242 -11.120 105 HA2 GLY 14 1HA GLY 14 2.952 -10.436 -11.482 106 HA3 GLY 14 2HA GLY 14 3.182 -10.952 -9.816 107 H GLU 15 H GLU 15 4.328 -12.147 -12.158 108 HA GLU 15 HA GLU 15 2.900 -14.520 -12.927 109 HB2 GLU 15 1HB GLU 15 5.775 -13.612 -13.388 110 HB3 GLU 15 2HB GLU 15 5.125 -15.113 -14.038 111 HG2 GLU 15 1HG GLU 15 5.128 -13.375 -15.743 112 HG3 GLU 15 2HG GLU 15 3.482 -13.869 -15.362 113 H ARG 16 H ARG 16 5.313 -13.749 -10.510 114 HA ARG 16 HA ARG 16 4.985 -16.227 -9.093 115 HB2 ARG 16 1HB ARG 16 6.557 -16.988 -10.827 116 HB3 ARG 16 2HB ARG 16 7.639 -15.640 -10.488 117 HG2 ARG 16 1HG ARG 16 8.059 -16.581 -8.222 118 HG3 ARG 16 2HG ARG 16 7.002 -17.940 -8.608 119 HD2 ARG 16 1HD ARG 16 8.516 -18.611 -10.433 120 HD3 ARG 16 2HD ARG 16 9.568 -17.237 -10.073 121 HE ARG 16 HE ARG 16 9.947 -18.278 -7.846 122 HH11 ARG 16 1HH1 ARG 16 8.910 -20.351 -10.487 123 HH12 ARG 16 2HH1 ARG 16 9.623 -21.775 -9.803 124 HH21 ARG 16 1HH2 ARG 16 10.916 -20.135 -7.006 125 HH22 ARG 16 2HH2 ARG 16 10.758 -21.648 -7.829 126 H HIS 17 H HIS 17 5.285 -15.798 -6.978 127 HA HIS 17 HA HIS 17 7.266 -14.031 -5.914 128 HB2 HIS 17 1HB HIS 17 5.655 -12.444 -4.764 129 HB3 HIS 17 2HB HIS 17 5.731 -12.239 -6.507 130 HD2 HIS 17 HD2 HIS 17 3.453 -13.652 -7.833 131 HE1 HIS 17 HE1 HIS 17 0.975 -12.818 -4.516 132 HE2 HIS 17 HE2 HIS 17 1.037 -13.299 -6.999 133 H GLY 18 H GLY 18 7.942 -15.151 -4.206 134 HA2 GLY 18 1HA GLY 18 6.652 -17.354 -3.012 135 HA3 GLY 18 2HA GLY 18 8.050 -16.510 -2.365 136 H GLN 19 H GLN 19 7.167 -14.056 -1.777 137 HA GLN 19 HA GLN 19 4.610 -14.046 -0.424 138 HB2 GLN 19 1HB GLN 19 6.174 -15.091 1.277 139 HB3 GLN 19 2HB GLN 19 7.149 -13.625 1.243 140 HG2 GLN 19 1HG GLN 19 5.084 -12.355 1.992 141 HG3 GLN 19 2HG GLN 19 4.286 -13.905 2.223 142 HE21 GLN 19 2HE2 GLN 19 4.994 -15.248 3.936 143 HE22 GLN 19 1HE2 GLN 19 5.932 -14.634 5.247 144 H GLY 20 H GLY 20 3.855 -11.996 -0.044 145 HA2 GLY 20 1HA GLY 20 5.581 -9.635 -0.129 146 HA3 GLY 20 2HA GLY 20 4.330 -9.740 -1.376 147 H LEU 21 H LEU 21 3.608 -7.702 -0.199 148 HA LEU 21 HA LEU 21 1.981 -8.320 2.185 149 HB2 LEU 21 1HB LEU 21 3.445 -6.316 2.316 150 HB3 LEU 21 2HB LEU 21 2.648 -5.631 0.908 151 HG LEU 21 HG LEU 21 0.543 -5.388 2.146 152 HD11 LEU 21 1HD1 LEU 21 0.383 -5.912 4.552 153 HD12 LEU 21 2HD1 LEU 21 1.976 -6.665 4.492 154 HD13 LEU 21 3HD1 LEU 21 0.637 -7.354 3.572 155 HD21 LEU 21 3HD2 LEU 21 2.894 -4.260 3.711 156 HD22 LEU 21 1HD2 LEU 21 1.227 -3.676 3.790 157 HD23 LEU 21 2HD2 LEU 21 2.141 -3.532 2.290 158 H ARG 22 H ARG 22 -0.144 -8.603 2.002 159 HA ARG 22 HA ARG 22 -1.365 -8.767 -0.611 160 HB2 ARG 22 1HB ARG 22 -1.703 -10.447 1.297 161 HB3 ARG 22 2HB ARG 22 -2.691 -9.238 2.094 162 HG2 ARG 22 1HG ARG 22 -4.318 -10.530 1.053 163 HG3 ARG 22 2HG ARG 22 -4.074 -9.260 -0.146 164 HD2 ARG 22 1HD ARG 22 -2.933 -12.084 -0.221 165 HD3 ARG 22 2HD ARG 22 -4.194 -11.428 -1.258 166 HE ARG 22 HE ARG 22 -2.510 -10.002 -2.299 167 HH11 ARG 22 1HH1 ARG 22 -1.269 -12.701 -0.414 168 HH12 ARG 22 2HH1 ARG 22 0.254 -12.731 -1.235 169 HH21 ARG 22 1HH2 ARG 22 -0.483 -10.064 -3.365 170 HH22 ARG 22 2HH2 ARG 22 0.695 -11.250 -2.907 171 H PHE 23 H PHE 23 -2.732 -7.313 -1.527 172 HA PHE 23 HA PHE 23 -4.302 -5.459 0.154 173 HB2 PHE 23 1HB PHE 23 -3.109 -4.684 -2.552 174 HB3 PHE 23 2HB PHE 23 -4.086 -3.659 -1.510 175 HD1 PHE 23 HD2 PHE 23 -3.029 -3.419 0.989 176 HD2 PHE 23 HD1 PHE 23 -0.824 -4.247 -2.578 177 HE1 PHE 23 HE2 PHE 23 -0.993 -2.525 2.035 178 HE2 PHE 23 HE1 PHE 23 1.202 -3.347 -1.525 179 HZ PHE 23 HZ PHE 23 1.123 -2.490 0.779 180 H ALA 24 H ALA 24 -6.408 -5.172 -0.577 181 HA ALA 24 HA ALA 24 -7.409 -6.810 -2.796 182 HB1 ALA 24 3HB ALA 24 -8.913 -5.070 -0.797 183 HB2 ALA 24 1HB ALA 24 -8.683 -6.817 -0.673 184 HB3 ALA 24 2HB ALA 24 -9.651 -6.144 -1.988 185 H ALA 25 H ALA 25 -8.967 -5.688 -4.339 186 HA ALA 25 HA ALA 25 -7.783 -3.465 -5.671 187 HB1 ALA 25 3HB ALA 25 -9.123 -5.186 -6.853 188 HB2 ALA 25 1HB ALA 25 -9.750 -3.564 -7.153 189 HB3 ALA 25 2HB ALA 25 -10.576 -4.634 -6.019 190 H GLY 26 H GLY 26 -7.904 -1.365 -5.094 191 HA2 GLY 26 1HA GLY 26 -8.791 0.672 -4.500 192 HA3 GLY 26 2HA GLY 26 -10.371 -0.076 -4.314 193 H GLU 27 H GLU 27 -7.770 -1.562 -2.602 194 HA GLU 27 HA GLU 27 -8.840 -0.649 -0.029 195 HB2 GLU 27 1HB GLU 27 -7.841 -3.153 -0.921 196 HB3 GLU 27 2HB GLU 27 -6.594 -2.571 0.164 197 HG2 GLU 27 1HG GLU 27 -9.526 -2.774 0.936 198 HG3 GLU 27 2HG GLU 27 -8.361 -4.075 1.186 199 H LEU 28 H LEU 28 -7.612 0.370 1.529 200 HA LEU 28 HA LEU 28 -5.732 2.291 0.548 201 HB2 LEU 28 1HB LEU 28 -6.849 1.788 3.337 202 HB3 LEU 28 2HB LEU 28 -5.753 3.103 2.953 203 HG LEU 28 HG LEU 28 -7.495 3.991 1.340 204 HD11 LEU 28 1HD1 LEU 28 -9.346 1.973 2.642 205 HD12 LEU 28 2HD1 LEU 28 -8.837 1.990 0.951 206 HD13 LEU 28 3HD1 LEU 28 -9.837 3.297 1.581 207 HD21 LEU 28 3HD2 LEU 28 -7.150 4.982 3.537 208 HD22 LEU 28 1HD2 LEU 28 -8.288 3.840 4.262 209 HD23 LEU 28 2HD2 LEU 28 -8.855 5.039 3.094 210 H ILE 29 H ILE 29 -3.690 2.793 1.707 211 HA ILE 29 HA ILE 29 -2.283 0.514 2.961 212 HB ILE 29 HB ILE 29 -0.955 2.448 0.977 213 HG12 ILE 29 1HG1 ILE 29 -0.534 0.194 -0.358 214 HG13 ILE 29 2HG1 ILE 29 -1.908 -0.410 0.551 215 HG21 ILE 29 1HG2 ILE 29 0.206 0.044 2.450 216 HG22 ILE 29 2HG2 ILE 29 0.578 1.743 2.757 217 HG23 ILE 29 3HG2 ILE 29 1.059 0.999 1.231 218 HD11 ILE 29 3HD1 ILE 29 -2.549 0.300 -1.652 219 HD12 ILE 29 1HD1 ILE 29 -1.916 1.917 -1.364 220 HD13 ILE 29 2HD1 ILE 29 -3.311 1.337 -0.453 221 H THR 30 H THR 30 -1.650 1.151 4.951 222 HA THR 30 HA THR 30 -1.502 3.960 5.736 223 HB THR 30 HB THR 30 -0.979 1.400 7.334 224 HG1 THR 30 HG1 THR 30 -3.052 1.447 7.832 225 HG21 THR 30 3HG2 THR 30 0.169 3.332 8.368 226 HG22 THR 30 1HG2 THR 30 -1.199 2.815 9.352 227 HG23 THR 30 2HG2 THR 30 -1.337 4.252 8.337 228 H LEU 31 H LEU 31 0.328 5.000 5.037 229 HA LEU 31 HA LEU 31 2.864 3.654 4.652 230 HB2 LEU 31 1HB LEU 31 2.190 6.622 4.504 231 HB3 LEU 31 2HB LEU 31 3.704 5.890 3.982 232 HG LEU 31 HG LEU 31 0.968 5.392 2.726 233 HD11 LEU 31 1HD1 LEU 31 1.797 7.638 2.251 234 HD12 LEU 31 2HD1 LEU 31 1.832 6.645 0.800 235 HD13 LEU 31 3HD1 LEU 31 3.332 6.981 1.670 236 HD21 LEU 31 3HD2 LEU 31 3.692 4.322 1.871 237 HD22 LEU 31 1HD2 LEU 31 2.179 4.129 0.977 238 HD23 LEU 31 2HD2 LEU 31 2.369 3.376 2.557 239 H LEU 32 H LEU 32 3.955 3.062 6.394 240 HA LEU 32 HA LEU 32 3.885 4.486 8.927 241 HB2 LEU 32 1HB LEU 32 5.436 2.008 8.074 242 HB3 LEU 32 2HB LEU 32 5.279 2.598 9.727 243 HG LEU 32 HG LEU 32 3.007 1.520 7.999 244 HD11 LEU 32 1HD1 LEU 32 4.455 0.272 10.357 245 HD12 LEU 32 2HD1 LEU 32 4.499 -0.259 8.670 246 HD13 LEU 32 3HD1 LEU 32 3.002 -0.372 9.588 247 HD21 LEU 32 3HD2 LEU 32 2.937 2.445 10.900 248 HD22 LEU 32 1HD2 LEU 32 1.611 1.667 10.028 249 HD23 LEU 32 2HD2 LEU 32 2.178 3.256 9.528 250 H GLN 33 H GLN 33 6.417 3.447 6.603 251 HA GLN 33 HA GLN 33 8.128 5.720 7.402 252 HB2 GLN 33 1HB GLN 33 8.861 3.190 5.849 253 HB3 GLN 33 2HB GLN 33 9.949 4.545 6.077 254 HG2 GLN 33 1HG GLN 33 10.655 2.949 7.641 255 HG3 GLN 33 2HG GLN 33 9.731 4.114 8.586 256 HE21 GLN 33 2HE2 GLN 33 9.741 0.902 7.198 257 HE22 GLN 33 1HE2 GLN 33 8.475 0.249 8.175 258 H VAL 34 H VAL 34 8.789 7.191 5.840 259 HA VAL 34 HA VAL 34 7.891 6.823 3.050 260 HB VAL 34 HB VAL 34 7.542 9.354 2.912 261 HG11 VAL 34 1HG1 VAL 34 5.630 7.804 2.973 262 HG12 VAL 34 2HG1 VAL 34 5.242 9.298 3.828 263 HG13 VAL 34 3HG1 VAL 34 5.636 7.837 4.741 264 HG21 VAL 34 3HG2 VAL 34 7.564 9.201 5.958 265 HG22 VAL 34 1HG2 VAL 34 7.077 10.611 5.010 266 HG23 VAL 34 2HG2 VAL 34 8.749 10.043 4.959 267 HA PRO 35 HA PRO 35 12.525 7.588 3.284 268 HB2 PRO 35 1HB PRO 35 13.336 5.442 1.788 269 HB3 PRO 35 2HB PRO 35 13.025 5.327 3.525 270 HG2 PRO 35 1HG PRO 35 11.240 4.562 1.224 271 HG3 PRO 35 2HG PRO 35 11.571 3.665 2.721 272 HD2 PRO 35 1HD PRO 35 9.308 5.165 2.382 273 HD3 PRO 35 2HD PRO 35 10.075 4.948 3.970 274 H ASP 36 H ASP 36 13.389 8.977 1.890 275 HA ASP 36 HA ASP 36 13.879 10.260 0.129 276 HB2 ASP 36 1HB ASP 36 14.909 8.349 -0.883 277 HB3 ASP 36 2HB ASP 36 13.362 7.661 -1.351 278 H GLY 37 H GLY 37 11.382 8.492 -1.707 279 HA2 GLY 37 1HA GLY 37 9.170 10.049 -1.564 280 HA3 GLY 37 2HA GLY 37 10.236 11.022 -2.573 281 H GLY 38 H GLY 38 9.893 7.478 -2.470 282 HA2 GLY 38 1HA GLY 38 8.523 7.406 -5.080 283 HA3 GLY 38 2HA GLY 38 10.102 6.630 -4.954 284 H TRP 39 H TRP 39 10.352 4.788 -3.632 285 HA TRP 39 HA TRP 39 7.966 3.183 -3.185 286 HB2 TRP 39 1HB TRP 39 10.900 2.535 -2.628 287 HB3 TRP 39 2HB TRP 39 9.566 1.397 -2.475 288 HD1 TRP 39 HD1 TRP 39 10.794 3.711 -5.385 289 HE1 TRP 39 HE1 TRP 39 10.924 2.294 -7.518 290 HE3 TRP 39 HE3 TRP 39 9.229 -0.788 -3.497 291 HZ2 TRP 39 HZ2 TRP 39 10.440 -0.358 -8.320 292 HZ3 TRP 39 HZ3 TRP 39 9.096 -2.722 -5.021 293 HH2 TRP 39 HH2 TRP 39 9.690 -2.513 -7.389 294 H TRP 40 H TRP 40 6.846 3.434 -1.356 295 HA TRP 40 HA TRP 40 8.226 4.258 1.136 296 HB2 TRP 40 1HB TRP 40 5.353 4.835 0.261 297 HB3 TRP 40 2HB TRP 40 6.029 5.239 1.838 298 HD1 TRP 40 HD1 TRP 40 8.834 6.420 0.869 299 HE1 TRP 40 HE1 TRP 40 8.900 8.720 -0.235 300 HE3 TRP 40 HE3 TRP 40 3.993 6.679 -0.735 301 HZ2 TRP 40 HZ2 TRP 40 7.157 10.425 -1.644 302 HZ3 TRP 40 HZ3 TRP 40 3.282 8.679 -1.969 303 HH2 TRP 40 HH2 TRP 40 4.822 10.520 -2.413 304 H GLU 41 H GLU 41 7.659 3.256 3.056 305 HA GLU 41 HA GLU 41 6.854 0.458 2.744 306 HB2 GLU 41 1HB GLU 41 8.130 1.873 5.126 307 HB3 GLU 41 2HB GLU 41 7.841 0.139 4.989 308 HG2 GLU 41 1HG GLU 41 9.426 0.006 3.119 309 HG3 GLU 41 2HG GLU 41 9.688 1.749 3.200 310 H GLY 42 H GLY 42 4.904 -0.150 3.272 311 HA2 GLY 42 1HA GLY 42 3.318 1.248 5.341 312 HA3 GLY 42 2HA GLY 42 2.638 0.730 3.802 313 H GLU 43 H GLU 43 1.497 -0.104 6.099 314 HA GLU 43 HA GLU 43 2.103 -3.012 6.168 315 HB2 GLU 43 1HB GLU 43 2.646 -1.789 8.302 316 HB3 GLU 43 2HB GLU 43 0.965 -1.285 8.419 317 HG2 GLU 43 1HG GLU 43 0.284 -3.655 8.616 318 HG3 GLU 43 2HG GLU 43 1.975 -4.146 8.491 319 H LYS 44 H LYS 44 0.232 -4.372 6.293 320 HA LYS 44 HA LYS 44 -2.394 -3.076 5.934 321 HB2 LYS 44 1HB LYS 44 -1.374 -3.989 3.751 322 HB3 LYS 44 2HB LYS 44 -1.565 -5.596 4.435 323 HG2 LYS 44 1HG LYS 44 -3.395 -5.214 2.940 324 HG3 LYS 44 2HG LYS 44 -4.055 -5.167 4.568 325 HD2 LYS 44 1HD LYS 44 -3.317 -2.627 3.059 326 HD3 LYS 44 2HD LYS 44 -4.886 -3.398 2.845 327 HE2 LYS 44 1HE LYS 44 -5.268 -3.131 5.334 328 HE3 LYS 44 2HE LYS 44 -3.768 -2.206 5.411 329 HZ1 LYS 44 3HZ LYS 44 -6.118 -1.510 3.765 330 HZ2 LYS 44 1HZ LYS 44 -4.701 -0.602 3.918 331 HZ3 LYS 44 2HZ LYS 44 -5.723 -0.805 5.253 332 H GLU 45 H GLU 45 -4.179 -4.802 6.277 333 HA GLU 45 HA GLU 45 -4.031 -5.820 8.908 334 HB2 GLU 45 1HB GLU 45 -6.163 -6.594 6.879 335 HB3 GLU 45 2HB GLU 45 -6.327 -6.446 8.626 336 HG2 GLU 45 1HG GLU 45 -6.151 -4.239 6.555 337 HG3 GLU 45 2HG GLU 45 -7.479 -4.597 7.652 338 H ASP 46 H ASP 46 -3.085 -7.153 5.927 339 HA ASP 46 HA ASP 46 -3.095 -9.902 6.268 340 HB2 ASP 46 1HB ASP 46 -2.362 -8.781 4.217 341 HB3 ASP 46 2HB ASP 46 -0.993 -8.056 5.048 342 H GLY 47 H GLY 47 -1.215 -7.485 7.980 343 HA2 GLY 47 1HA GLY 47 -0.384 -7.849 10.186 344 HA3 GLY 47 2HA GLY 47 -0.106 -9.540 9.800 345 H LEU 48 H LEU 48 1.035 -8.613 7.143 346 HA LEU 48 HA LEU 48 3.793 -8.245 8.047 347 HB2 LEU 48 1HB LEU 48 2.558 -9.008 5.373 348 HB3 LEU 48 2HB LEU 48 4.271 -8.644 5.535 349 HG LEU 48 HG LEU 48 4.036 -11.038 5.539 350 HD11 LEU 48 1HD1 LEU 48 5.080 -11.673 7.649 351 HD12 LEU 48 2HD1 LEU 48 4.575 -10.150 8.384 352 HD13 LEU 48 3HD1 LEU 48 5.736 -10.145 7.054 353 HD21 LEU 48 3HD2 LEU 48 2.033 -10.785 7.811 354 HD22 LEU 48 1HD2 LEU 48 2.664 -12.298 7.146 355 HD23 LEU 48 2HD2 LEU 48 1.673 -11.240 6.143 356 H ARG 49 H ARG 49 5.165 -6.877 6.537 357 HA ARG 49 HA ARG 49 3.844 -4.356 5.725 358 HB2 ARG 49 1HB ARG 49 6.660 -4.644 6.880 359 HB3 ARG 49 2HB ARG 49 5.881 -3.135 6.391 360 HG2 ARG 49 1HG ARG 49 4.197 -3.450 8.203 361 HG3 ARG 49 2HG ARG 49 5.028 -4.930 8.698 362 HD2 ARG 49 1HD ARG 49 6.138 -2.098 8.776 363 HD3 ARG 49 2HD ARG 49 5.676 -3.097 10.161 364 HE ARG 49 HE ARG 49 7.986 -3.599 8.367 365 HH11 ARG 49 1HH1 ARG 49 6.467 -4.050 11.507 366 HH12 ARG 49 2HH1 ARG 49 7.898 -4.709 12.229 367 HH21 ARG 49 1HH2 ARG 49 9.816 -4.512 9.313 368 HH22 ARG 49 2HH2 ARG 49 9.790 -4.979 10.983 369 H GLY 50 H GLY 50 4.904 -3.288 3.945 370 HA2 GLY 50 1HA GLY 50 6.927 -4.661 2.382 371 HA3 GLY 50 2HA GLY 50 5.320 -4.613 1.649 372 H TRP 51 H TRP 51 7.722 -3.379 0.666 373 HA TRP 51 HA TRP 51 7.011 -0.506 0.783 374 HB2 TRP 51 1HB TRP 51 9.352 -0.051 0.048 375 HB3 TRP 51 2HB TRP 51 9.284 -0.866 1.600 376 HD1 TRP 51 HD1 TRP 51 9.563 -3.803 1.202 377 HE1 TRP 51 HE1 TRP 51 11.468 -4.921 -0.104 378 HE3 TRP 51 HE3 TRP 51 11.025 0.161 -1.665 379 HZ2 TRP 51 HZ2 TRP 51 13.360 -4.232 -2.074 380 HZ3 TRP 51 HZ3 TRP 51 12.904 -0.142 -3.236 381 HH2 TRP 51 HH2 TRP 51 14.045 -2.299 -3.438 382 H PHE 52 H PHE 52 6.281 0.390 -1.012 383 HA PHE 52 HA PHE 52 6.434 -0.991 -3.610 384 HB2 PHE 52 1HB PHE 52 3.818 -0.102 -2.262 385 HB3 PHE 52 2HB PHE 52 3.938 -0.619 -3.938 386 HD1 PHE 52 HD2 PHE 52 3.988 -1.753 -0.421 387 HD2 PHE 52 HD1 PHE 52 4.186 -2.993 -4.511 388 HE1 PHE 52 HE2 PHE 52 3.622 -4.082 0.264 389 HE2 PHE 52 HE1 PHE 52 3.813 -5.327 -3.814 390 HZ PHE 52 HZ PHE 52 3.533 -5.873 -1.426 391 HA PRO 53 HA PRO 53 7.017 3.212 -5.045 392 HB2 PRO 53 1HB PRO 53 6.238 3.019 -7.678 393 HB3 PRO 53 2HB PRO 53 7.754 2.334 -7.074 394 HG2 PRO 53 1HG PRO 53 5.133 0.969 -7.615 395 HG3 PRO 53 2HG PRO 53 6.776 0.411 -7.986 396 HD2 PRO 53 1HD PRO 53 5.349 -0.478 -5.821 397 HD3 PRO 53 2HD PRO 53 7.122 -0.384 -5.824 398 H ALA 54 H ALA 54 5.862 5.074 -5.096 399 HA ALA 54 HA ALA 54 3.114 5.219 -4.473 400 HB1 ALA 54 3HB ALA 54 4.736 6.985 -3.878 401 HB2 ALA 54 1HB ALA 54 3.364 7.659 -4.764 402 HB3 ALA 54 2HB ALA 54 4.914 7.412 -5.579 403 H SER 55 H SER 55 4.804 5.047 -7.484 404 HA SER 55 HA SER 55 2.885 6.001 -9.305 405 HB2 SER 55 1HB SER 55 4.966 3.814 -9.749 406 HB3 SER 55 2HB SER 55 4.199 4.808 -10.992 407 HG SER 55 HG SER 55 6.413 5.320 -9.763 408 H TYR 56 H TYR 56 3.338 2.798 -7.805 409 HA TYR 56 HA TYR 56 1.554 1.394 -9.580 410 HB2 TYR 56 1HB TYR 56 3.557 0.435 -8.208 411 HB3 TYR 56 2HB TYR 56 2.438 0.365 -6.851 412 HD1 TYR 56 HD2 TYR 56 3.096 -0.890 -10.280 413 HD2 TYR 56 HD1 TYR 56 0.759 -1.426 -6.742 414 HE1 TYR 56 HE2 TYR 56 2.254 -3.024 -11.165 415 HE2 TYR 56 HE1 TYR 56 -0.094 -3.560 -7.630 416 HH TYR 56 HH TYR 56 1.286 -5.109 -10.352 417 H VAL 57 H VAL 57 1.296 2.915 -6.460 418 HA VAL 57 HA VAL 57 -1.579 2.252 -6.185 419 HB VAL 57 HB VAL 57 -1.321 3.046 -3.819 420 HG11 VAL 57 1HG1 VAL 57 0.663 0.858 -4.590 421 HG12 VAL 57 2HG1 VAL 57 -1.065 0.643 -4.288 422 HG13 VAL 57 3HG1 VAL 57 0.005 1.125 -2.970 423 HG21 VAL 57 3HG2 VAL 57 0.521 4.659 -4.111 424 HG22 VAL 57 1HG2 VAL 57 1.644 3.351 -4.498 425 HG23 VAL 57 2HG2 VAL 57 0.950 3.475 -2.877 426 H GLN 58 H GLN 58 -2.475 4.431 -4.733 427 HA GLN 58 HA GLN 58 -1.706 6.879 -6.176 428 HB2 GLN 58 1HB GLN 58 -3.606 5.906 -7.421 429 HB3 GLN 58 2HB GLN 58 -4.569 5.846 -5.948 430 HG2 GLN 58 1HG GLN 58 -4.650 8.267 -5.829 431 HG3 GLN 58 2HG GLN 58 -3.507 8.415 -7.167 432 HE21 GLN 58 2HE2 GLN 58 -4.964 9.648 -8.380 433 HE22 GLN 58 1HE2 GLN 58 -6.367 8.974 -9.126 434 H LEU 59 H LEU 59 -1.617 8.612 -4.876 435 HA LEU 59 HA LEU 59 -1.911 8.325 -2.048 436 HB2 LEU 59 1HB LEU 59 -1.248 10.742 -3.778 437 HB3 LEU 59 2HB LEU 59 -1.224 10.767 -2.017 438 HG LEU 59 HG LEU 59 0.561 9.030 -3.776 439 HD11 LEU 59 1HD1 LEU 59 2.404 10.480 -3.037 440 HD12 LEU 59 2HD1 LEU 59 1.262 11.508 -2.163 441 HD13 LEU 59 3HD1 LEU 59 1.181 11.392 -3.924 442 HD21 LEU 59 3HD2 LEU 59 0.046 7.919 -1.645 443 HD22 LEU 59 1HD2 LEU 59 0.559 9.352 -0.747 444 HD23 LEU 59 2HD2 LEU 59 1.729 8.429 -1.694 445 H LEU 60 H LEU 60 -3.350 9.223 -0.675 446 HA LEU 60 HA LEU 60 -5.964 10.007 -1.733 447 HB2 LEU 60 1HB LEU 60 -5.025 9.256 1.068 448 HB3 LEU 60 2HB LEU 60 -6.688 9.671 0.660 449 HG LEU 60 HG LEU 60 -5.142 7.292 -0.457 450 HD11 LEU 60 1HD1 LEU 60 -6.621 5.883 0.875 451 HD12 LEU 60 2HD1 LEU 60 -7.392 7.309 1.574 452 HD13 LEU 60 3HD1 LEU 60 -5.694 6.970 1.906 453 HD21 LEU 60 3HD2 LEU 60 -7.333 6.604 -1.412 454 HD22 LEU 60 1HD2 LEU 60 -6.729 8.111 -2.097 455 HD23 LEU 60 2HD2 LEU 60 -8.024 8.143 -0.898 Start of MODEL 14 1 H1 MET 1 1H MET 1 -2.965 6.216 16.008 2 H2 MET 1 2H MET 1 -1.817 6.453 14.787 3 H3 MET 1 3H MET 1 -2.978 5.233 14.638 4 HA MET 1 HA MET 1 -4.734 6.812 14.481 5 HB2 MET 1 1HB MET 1 -3.738 8.525 15.984 6 HB3 MET 1 2HB MET 1 -2.522 8.900 14.771 7 HG2 MET 1 1HG MET 1 -4.251 9.783 13.285 8 HG3 MET 1 2HG MET 1 -5.504 9.339 14.448 9 HE1 MET 1 3HE MET 1 -5.122 12.312 13.180 10 HE2 MET 1 1HE MET 1 -5.407 13.295 14.610 11 HE3 MET 1 2HE MET 1 -6.423 11.885 14.296 12 H SER 2 H SER 2 -5.376 7.621 12.423 13 HA SER 2 HA SER 2 -3.925 6.781 10.140 14 HB2 SER 2 1HB SER 2 -6.262 8.739 10.301 15 HB3 SER 2 2HB SER 2 -5.720 7.873 8.858 16 HG SER 2 HG SER 2 -7.523 7.042 10.441 17 H GLY 3 H GLY 3 -2.582 7.876 8.776 18 HA2 GLY 3 1HA GLY 3 -2.211 10.800 9.016 19 HA3 GLY 3 2HA GLY 3 -0.812 9.742 9.224 20 H ALA 4 H ALA 4 0.368 9.555 7.435 21 HA ALA 4 HA ALA 4 -0.566 10.168 4.799 22 HB1 ALA 4 3HB ALA 4 1.690 9.435 4.089 23 HB2 ALA 4 1HB ALA 4 1.996 8.790 5.707 24 HB3 ALA 4 2HB ALA 4 1.781 10.525 5.472 25 H ARG 5 H ARG 5 -1.228 8.774 3.181 26 HA ARG 5 HA ARG 5 -0.959 5.923 3.323 27 HB2 ARG 5 1HB ARG 5 -3.415 5.399 3.371 28 HB3 ARG 5 2HB ARG 5 -2.812 6.064 4.887 29 HG2 ARG 5 1HG ARG 5 -3.802 8.226 4.406 30 HG3 ARG 5 2HG ARG 5 -4.279 7.694 2.790 31 HD2 ARG 5 1HD ARG 5 -6.174 7.685 4.398 32 HD3 ARG 5 2HD ARG 5 -5.846 6.086 3.722 33 HE ARG 5 HE ARG 5 -4.454 6.370 6.162 34 HH11 ARG 5 1HH1 ARG 5 -7.757 6.036 5.024 35 HH12 ARG 5 2HH1 ARG 5 -8.278 5.232 6.467 36 HH21 ARG 5 1HH2 ARG 5 -5.157 5.290 8.027 37 HH22 ARG 5 2HH2 ARG 5 -6.817 4.817 8.160 38 H CYS 6 H CYS 6 -2.358 4.867 1.575 39 HA CYS 6 HA CYS 6 -2.722 6.526 -0.821 40 HB2 CYS 6 1HB CYS 6 -1.352 4.872 -2.149 41 HB3 CYS 6 2HB CYS 6 -0.401 5.782 -0.979 42 HG CYS 6 HG CYS 6 -0.260 3.722 0.879 43 H ARG 7 H ARG 7 -3.523 4.979 -2.647 44 HA ARG 7 HA ARG 7 -5.794 3.411 -1.575 45 HB2 ARG 7 1HB ARG 7 -6.450 5.647 -2.466 46 HB3 ARG 7 2HB ARG 7 -5.692 5.270 -4.000 47 HG2 ARG 7 1HG ARG 7 -8.134 5.080 -4.122 48 HG3 ARG 7 2HG ARG 7 -7.354 3.529 -4.445 49 HD2 ARG 7 1HD ARG 7 -8.013 2.638 -2.341 50 HD3 ARG 7 2HD ARG 7 -8.378 4.230 -1.682 51 HE ARG 7 HE ARG 7 -10.417 4.255 -2.781 52 HH11 ARG 7 1HH1 ARG 7 -8.701 1.310 -3.695 53 HH12 ARG 7 2HH1 ARG 7 -10.145 0.508 -4.226 54 HH21 ARG 7 1HH2 ARG 7 -12.283 3.169 -3.489 55 HH22 ARG 7 2HH2 ARG 7 -12.155 1.558 -4.128 56 H THR 8 H THR 8 -5.843 1.368 -2.279 57 HA THR 8 HA THR 8 -4.179 0.377 -4.425 58 HB THR 8 HB THR 8 -5.347 -1.809 -3.898 59 HG1 THR 8 HG1 THR 8 -6.707 -1.728 -1.974 60 HG21 THR 8 3HG2 THR 8 -4.243 -0.346 -1.463 61 HG22 THR 8 1HG2 THR 8 -3.277 -1.204 -2.670 62 HG23 THR 8 2HG2 THR 8 -4.396 -2.096 -1.638 63 H LEU 9 H LEU 9 -4.752 0.671 -6.489 64 HA LEU 9 HA LEU 9 -7.323 1.596 -7.315 65 HB2 LEU 9 1HB LEU 9 -4.916 0.665 -8.936 66 HB3 LEU 9 2HB LEU 9 -6.328 1.464 -9.619 67 HG LEU 9 HG LEU 9 -4.409 2.714 -7.603 68 HD11 LEU 9 1HD1 LEU 9 -3.647 4.133 -9.463 69 HD12 LEU 9 2HD1 LEU 9 -4.661 3.224 -10.587 70 HD13 LEU 9 3HD1 LEU 9 -3.320 2.428 -9.759 71 HD21 LEU 9 3HD2 LEU 9 -6.666 3.600 -7.325 72 HD22 LEU 9 1HD2 LEU 9 -6.781 3.951 -9.052 73 HD23 LEU 9 2HD2 LEU 9 -5.624 4.823 -8.042 74 H TYR 10 H TYR 10 -5.513 -1.431 -8.099 75 HA TYR 10 HA TYR 10 -8.060 -2.893 -8.493 76 HB2 TYR 10 1HB TYR 10 -5.736 -2.956 -10.496 77 HB3 TYR 10 2HB TYR 10 -7.237 -3.861 -10.628 78 HD1 TYR 10 HD1 TYR 10 -9.463 -2.426 -10.733 79 HD2 TYR 10 HD2 TYR 10 -5.576 -0.850 -11.592 80 HE1 TYR 10 HE1 TYR 10 -10.485 -0.553 -11.962 81 HE2 TYR 10 HE2 TYR 10 -6.609 1.015 -12.819 82 HH TYR 10 HH TYR 10 -8.736 1.461 -14.028 83 HA PRO 11 HA PRO 11 -5.827 -6.171 -6.314 84 HB2 PRO 11 1HB PRO 11 -6.869 -8.470 -7.436 85 HB3 PRO 11 2HB PRO 11 -7.741 -7.470 -6.258 86 HG2 PRO 11 1HG PRO 11 -7.940 -7.473 -9.269 87 HG3 PRO 11 2HG PRO 11 -9.250 -7.447 -8.066 88 HD2 PRO 11 1HD PRO 11 -8.455 -5.188 -9.315 89 HD3 PRO 11 2HD PRO 11 -8.960 -5.160 -7.611 90 H PHE 12 H PHE 12 -3.789 -6.666 -6.570 91 HA PHE 12 HA PHE 12 -2.591 -7.270 -9.162 92 HB2 PHE 12 1HB PHE 12 -1.444 -5.604 -7.707 93 HB3 PHE 12 2HB PHE 12 -1.285 -6.804 -6.429 94 HD1 PHE 12 HD2 PHE 12 -0.273 -6.092 -9.974 95 HD2 PHE 12 HD1 PHE 12 0.641 -8.236 -6.382 96 HE1 PHE 12 HE2 PHE 12 1.864 -6.823 -10.950 97 HE2 PHE 12 HE1 PHE 12 2.777 -8.959 -7.368 98 HZ PHE 12 HZ PHE 12 3.392 -8.251 -9.646 99 H SER 13 H SER 13 -2.392 -9.319 -9.759 100 HA SER 13 HA SER 13 -1.940 -11.462 -7.760 101 HB2 SER 13 1HB SER 13 -4.278 -11.510 -8.772 102 HB3 SER 13 2HB SER 13 -3.546 -11.739 -10.360 103 HG SER 13 HG SER 13 -3.908 -13.762 -9.727 104 H GLY 14 H GLY 14 -1.389 -13.467 -9.719 105 HA2 GLY 14 1HA GLY 14 0.240 -12.992 -11.833 106 HA3 GLY 14 2HA GLY 14 1.325 -12.763 -10.469 107 H GLU 15 H GLU 15 0.071 -14.724 -8.776 108 HA GLU 15 HA GLU 15 0.131 -16.902 -8.182 109 HB2 GLU 15 1HB GLU 15 -0.172 -17.418 -11.174 110 HB3 GLU 15 2HB GLU 15 -0.298 -18.663 -9.934 111 HG2 GLU 15 1HG GLU 15 -2.271 -17.579 -8.984 112 HG3 GLU 15 2HG GLU 15 -2.115 -16.239 -10.124 113 H ARG 16 H ARG 16 2.633 -15.439 -9.590 114 HA ARG 16 HA ARG 16 4.452 -17.640 -10.119 115 HB2 ARG 16 1HB ARG 16 5.010 -14.643 -9.881 116 HB3 ARG 16 2HB ARG 16 6.107 -15.863 -10.535 117 HG2 ARG 16 1HG ARG 16 4.571 -16.252 -12.420 118 HG3 ARG 16 2HG ARG 16 3.435 -15.077 -11.745 119 HD2 ARG 16 1HD ARG 16 5.193 -13.310 -11.977 120 HD3 ARG 16 2HD ARG 16 6.251 -14.502 -12.745 121 HE ARG 16 HE ARG 16 3.697 -14.284 -14.060 122 HH11 ARG 16 1HH1 ARG 16 6.890 -12.813 -13.881 123 HH12 ARG 16 2HH1 ARG 16 6.765 -12.069 -15.440 124 HH21 ARG 16 1HH2 ARG 16 3.535 -13.279 -16.079 125 HH22 ARG 16 2HH2 ARG 16 4.854 -12.332 -16.689 126 H HIS 17 H HIS 17 3.896 -15.155 -7.689 127 HA HIS 17 HA HIS 17 5.995 -16.033 -5.889 128 HB2 HIS 17 1HB HIS 17 3.777 -13.994 -5.341 129 HB3 HIS 17 2HB HIS 17 5.340 -14.129 -4.534 130 HD2 HIS 17 HD2 HIS 17 7.457 -12.850 -5.815 131 HE1 HIS 17 HE1 HIS 17 5.171 -11.460 -9.093 132 HE2 HIS 17 HE2 HIS 17 7.481 -11.552 -8.054 133 H GLY 18 H GLY 18 5.660 -17.768 -4.608 134 HA2 GLY 18 1HA GLY 18 3.142 -18.900 -3.885 135 HA3 GLY 18 2HA GLY 18 4.691 -19.225 -3.110 136 H GLN 19 H GLN 19 5.524 -17.022 -2.041 137 HA GLN 19 HA GLN 19 3.378 -15.787 -0.418 138 HB2 GLN 19 1HB GLN 19 6.204 -16.549 0.469 139 HB3 GLN 19 2HB GLN 19 5.124 -15.528 1.408 140 HG2 GLN 19 1HG GLN 19 4.598 -18.432 0.672 141 HG3 GLN 19 2HG GLN 19 5.180 -17.855 2.238 142 HE21 GLN 19 2HE2 GLN 19 2.414 -18.194 0.152 143 HE22 GLN 19 1HE2 GLN 19 1.224 -17.666 1.285 144 H GLY 20 H GLY 20 3.525 -13.585 -0.096 145 HA2 GLY 20 1HA GLY 20 5.513 -11.754 -0.432 146 HA3 GLY 20 2HA GLY 20 4.946 -12.038 -2.081 147 H LEU 21 H LEU 21 4.676 -9.498 -0.810 148 HA LEU 21 HA LEU 21 1.921 -9.351 0.184 149 HB2 LEU 21 1HB LEU 21 3.833 -7.968 1.211 150 HB3 LEU 21 2HB LEU 21 3.830 -7.018 -0.267 151 HG LEU 21 HG LEU 21 1.305 -6.592 0.217 152 HD11 LEU 21 1HD1 LEU 21 0.965 -8.325 1.889 153 HD12 LEU 21 2HD1 LEU 21 0.592 -6.740 2.551 154 HD13 LEU 21 3HD1 LEU 21 2.104 -7.536 2.987 155 HD21 LEU 21 3HD2 LEU 21 1.759 -4.674 1.677 156 HD22 LEU 21 1HD2 LEU 21 2.969 -4.813 0.402 157 HD23 LEU 21 2HD2 LEU 21 3.360 -5.314 2.048 158 H ARG 22 H ARG 22 0.257 -8.700 -1.020 159 HA ARG 22 HA ARG 22 0.658 -7.480 -3.689 160 HB2 ARG 22 1HB ARG 22 -1.528 -9.474 -2.880 161 HB3 ARG 22 2HB ARG 22 -1.366 -8.706 -4.463 162 HG2 ARG 22 1HG ARG 22 0.825 -9.880 -4.763 163 HG3 ARG 22 2HG ARG 22 0.578 -10.692 -3.213 164 HD2 ARG 22 1HD ARG 22 -1.157 -10.964 -5.700 165 HD3 ARG 22 2HD ARG 22 -0.039 -12.171 -5.062 166 HE ARG 22 HE ARG 22 -1.513 -12.271 -3.049 167 HH11 ARG 22 1HH1 ARG 22 -2.926 -11.106 -6.041 168 HH12 ARG 22 2HH1 ARG 22 -4.518 -11.642 -5.636 169 HH21 ARG 22 1HH2 ARG 22 -3.575 -12.991 -2.546 170 HH22 ARG 22 2HH2 ARG 22 -4.886 -12.708 -3.645 171 H PHE 23 H PHE 23 -1.398 -6.315 -4.387 172 HA PHE 23 HA PHE 23 -2.781 -5.007 -2.106 173 HB2 PHE 23 1HB PHE 23 -1.813 -3.741 -4.718 174 HB3 PHE 23 2HB PHE 23 -2.858 -2.939 -3.556 175 HD1 PHE 23 HD2 PHE 23 -1.774 -3.309 -0.967 176 HD2 PHE 23 HD1 PHE 23 0.366 -2.843 -4.646 177 HE1 PHE 23 HE2 PHE 23 0.174 -2.445 0.267 178 HE2 PHE 23 HE1 PHE 23 2.301 -1.979 -3.393 179 HZ PHE 23 HZ PHE 23 2.207 -1.778 -0.943 180 H ALA 24 H ALA 24 -4.849 -5.716 -2.144 181 HA ALA 24 HA ALA 24 -6.232 -6.132 -4.713 182 HB1 ALA 24 3HB ALA 24 -7.155 -6.789 -1.888 183 HB2 ALA 24 1HB ALA 24 -6.466 -7.935 -3.040 184 HB3 ALA 24 2HB ALA 24 -8.022 -7.176 -3.377 185 H ALA 25 H ALA 25 -8.485 -5.212 -4.778 186 HA ALA 25 HA ALA 25 -8.151 -2.366 -4.672 187 HB1 ALA 25 3HB ALA 25 -9.232 -3.472 -6.600 188 HB2 ALA 25 1HB ALA 25 -10.305 -2.282 -5.861 189 HB3 ALA 25 2HB ALA 25 -10.557 -4.004 -5.561 190 H GLY 26 H GLY 26 -8.812 -1.005 -3.126 191 HA2 GLY 26 1HA GLY 26 -10.718 -0.151 -1.846 192 HA3 GLY 26 2HA GLY 26 -11.000 -1.780 -1.254 193 H GLU 27 H GLU 27 -8.064 -2.249 -0.810 194 HA GLU 27 HA GLU 27 -7.930 -1.423 1.874 195 HB2 GLU 27 1HB GLU 27 -5.699 -2.427 0.064 196 HB3 GLU 27 2HB GLU 27 -5.491 -2.125 1.779 197 HG2 GLU 27 1HG GLU 27 -6.026 -4.296 2.089 198 HG3 GLU 27 2HG GLU 27 -7.682 -3.805 1.789 199 H LEU 28 H LEU 28 -7.227 0.319 2.859 200 HA LEU 28 HA LEU 28 -5.918 2.519 1.386 201 HB2 LEU 28 1HB LEU 28 -7.177 2.491 4.168 202 HB3 LEU 28 2HB LEU 28 -6.606 3.916 3.301 203 HG LEU 28 HG LEU 28 -8.942 2.157 2.428 204 HD11 LEU 28 1HD1 LEU 28 -9.018 4.882 3.752 205 HD12 LEU 28 2HD1 LEU 28 -9.502 3.344 4.472 206 HD13 LEU 28 3HD1 LEU 28 -10.404 3.994 3.109 207 HD21 LEU 28 3HD2 LEU 28 -9.427 3.907 0.772 208 HD22 LEU 28 1HD2 LEU 28 -7.826 3.216 0.516 209 HD23 LEU 28 2HD2 LEU 28 -7.990 4.805 1.271 210 H ILE 29 H ILE 29 -3.725 2.231 1.442 211 HA ILE 29 HA ILE 29 -2.496 0.573 3.517 212 HB ILE 29 HB ILE 29 -1.103 1.803 1.088 213 HG12 ILE 29 1HG1 ILE 29 -3.014 0.538 0.216 214 HG13 ILE 29 2HG1 ILE 29 -1.532 -0.350 -0.118 215 HG21 ILE 29 1HG2 ILE 29 0.481 -0.082 1.352 216 HG22 ILE 29 2HG2 ILE 29 -0.409 -0.639 2.771 217 HG23 ILE 29 3HG2 ILE 29 0.417 0.923 2.801 218 HD11 ILE 29 3HD1 ILE 29 -3.305 -1.835 0.561 219 HD12 ILE 29 1HD1 ILE 29 -3.519 -0.948 2.070 220 HD13 ILE 29 2HD1 ILE 29 -2.024 -1.838 1.769 221 H THR 30 H THR 30 -1.879 1.615 5.328 222 HA THR 30 HA THR 30 -1.461 4.451 5.442 223 HB THR 30 HB THR 30 -1.015 2.347 7.606 224 HG1 THR 30 HG1 THR 30 -3.148 2.321 7.075 225 HG21 THR 30 3HG2 THR 30 0.160 4.457 8.143 226 HG22 THR 30 1HG2 THR 30 -1.248 4.252 9.192 227 HG23 THR 30 2HG2 THR 30 -1.313 5.380 7.835 228 H LEU 31 H LEU 31 0.332 5.301 4.614 229 HA LEU 31 HA LEU 31 2.885 4.030 4.501 230 HB2 LEU 31 1HB LEU 31 2.250 6.994 4.204 231 HB3 LEU 31 2HB LEU 31 3.729 6.183 3.695 232 HG LEU 31 HG LEU 31 0.954 5.796 2.485 233 HD11 LEU 31 1HD1 LEU 31 3.427 7.140 1.337 234 HD12 LEU 31 2HD1 LEU 31 1.958 7.945 1.905 235 HD13 LEU 31 3HD1 LEU 31 1.890 6.885 0.501 236 HD21 LEU 31 3HD2 LEU 31 3.578 4.459 1.701 237 HD22 LEU 31 1HD2 LEU 31 2.070 4.367 0.789 238 HD23 LEU 31 2HD2 LEU 31 2.162 3.673 2.404 239 H LEU 32 H LEU 32 3.817 3.521 6.379 240 HA LEU 32 HA LEU 32 3.556 4.964 8.841 241 HB2 LEU 32 1HB LEU 32 5.545 2.786 8.076 242 HB3 LEU 32 2HB LEU 32 5.150 3.298 9.717 243 HG LEU 32 HG LEU 32 3.301 1.833 7.770 244 HD11 LEU 32 1HD1 LEU 32 5.000 0.384 8.751 245 HD12 LEU 32 2HD1 LEU 32 3.409 -0.008 9.390 246 HD13 LEU 32 3HD1 LEU 32 4.554 0.901 10.381 247 HD21 LEU 32 3HD2 LEU 32 2.673 2.826 10.586 248 HD22 LEU 32 1HD2 LEU 32 1.646 1.757 9.621 249 HD23 LEU 32 2HD2 LEU 32 1.957 3.402 9.078 250 H GLN 33 H GLN 33 5.849 4.830 6.224 251 HA GLN 33 HA GLN 33 7.497 6.965 7.435 252 HB2 GLN 33 1HB GLN 33 8.733 4.830 7.469 253 HB3 GLN 33 2HB GLN 33 8.426 4.592 5.753 254 HG2 GLN 33 1HG GLN 33 9.778 6.646 5.275 255 HG3 GLN 33 2HG GLN 33 10.135 6.763 7.001 256 HE21 GLN 33 2HE2 GLN 33 10.654 4.904 4.072 257 HE22 GLN 33 1HE2 GLN 33 12.017 4.010 4.643 258 H VAL 34 H VAL 34 7.803 8.668 6.168 259 HA VAL 34 HA VAL 34 7.321 8.544 3.267 260 HB VAL 34 HB VAL 34 6.439 10.981 3.452 261 HG11 VAL 34 1HG1 VAL 34 4.100 10.243 3.797 262 HG12 VAL 34 2HG1 VAL 34 4.674 8.727 4.499 263 HG13 VAL 34 3HG1 VAL 34 5.002 9.093 2.804 264 HG21 VAL 34 3HG2 VAL 34 5.936 10.165 6.358 265 HG22 VAL 34 1HG2 VAL 34 5.306 11.621 5.575 266 HG23 VAL 34 2HG2 VAL 34 7.043 11.430 5.817 267 HA PRO 35 HA PRO 35 11.537 10.314 3.923 268 HB2 PRO 35 1HB PRO 35 12.811 8.900 2.018 269 HB3 PRO 35 2HB PRO 35 12.345 8.117 3.539 270 HG2 PRO 35 1HG PRO 35 10.957 8.045 0.855 271 HG3 PRO 35 2HG PRO 35 11.322 6.698 1.956 272 HD2 PRO 35 1HD PRO 35 8.864 7.951 1.855 273 HD3 PRO 35 2HD PRO 35 9.485 7.139 3.308 274 H ASP 36 H ASP 36 13.023 10.703 1.522 275 HA ASP 36 HA ASP 36 11.872 13.025 0.394 276 HB2 ASP 36 1HB ASP 36 14.199 11.310 -0.586 277 HB3 ASP 36 2HB ASP 36 13.766 12.858 -1.301 278 H GLY 37 H GLY 37 11.801 9.645 -0.613 279 HA2 GLY 37 1HA GLY 37 9.467 9.477 -1.839 280 HA3 GLY 37 2HA GLY 37 10.399 10.246 -3.119 281 H GLY 38 H GLY 38 9.789 8.273 -4.283 282 HA2 GLY 38 1HA GLY 38 10.649 6.484 -5.452 283 HA3 GLY 38 2HA GLY 38 11.975 6.365 -4.311 284 H TRP 39 H TRP 39 11.400 5.465 -2.137 285 HA TRP 39 HA TRP 39 9.403 3.279 -2.380 286 HB2 TRP 39 1HB TRP 39 11.954 3.293 -0.676 287 HB3 TRP 39 2HB TRP 39 10.849 1.941 -0.900 288 HD1 TRP 39 HD1 TRP 39 13.951 3.475 -2.354 289 HE1 TRP 39 HE1 TRP 39 14.662 2.192 -4.462 290 HE3 TRP 39 HE3 TRP 39 9.739 0.635 -3.061 291 HZ2 TRP 39 HZ2 TRP 39 13.602 0.249 -6.199 292 HZ3 TRP 39 HZ3 TRP 39 9.676 -0.913 -4.978 293 HH2 TRP 39 HH2 TRP 39 11.571 -1.102 -6.517 294 H TRP 40 H TRP 40 7.815 3.254 -0.849 295 HA TRP 40 HA TRP 40 8.149 4.804 1.659 296 HB2 TRP 40 1HB TRP 40 5.612 4.261 0.032 297 HB3 TRP 40 2HB TRP 40 5.587 4.908 1.670 298 HD1 TRP 40 HD1 TRP 40 6.284 7.472 1.992 299 HE1 TRP 40 HE1 TRP 40 6.558 9.419 0.341 300 HE3 TRP 40 HE3 TRP 40 6.397 4.827 -2.391 301 HZ2 TRP 40 HZ2 TRP 40 6.791 9.804 -2.438 302 HZ3 TRP 40 HZ3 TRP 40 6.647 6.061 -4.503 303 HH2 TRP 40 HH2 TRP 40 6.842 8.501 -4.529 304 H GLU 41 H GLU 41 7.318 3.860 3.553 305 HA GLU 41 HA GLU 41 7.155 0.928 3.603 306 HB2 GLU 41 1HB GLU 41 8.589 2.111 5.274 307 HB3 GLU 41 2HB GLU 41 7.191 2.994 5.864 308 HG2 GLU 41 1HG GLU 41 7.762 1.179 7.386 309 HG3 GLU 41 2HG GLU 41 6.178 0.904 6.656 310 H GLY 42 H GLY 42 5.166 -0.031 3.560 311 HA2 GLY 42 1HA GLY 42 2.756 1.596 4.226 312 HA3 GLY 42 2HA GLY 42 2.846 0.520 2.845 313 H GLU 43 H GLU 43 1.289 0.717 5.490 314 HA GLU 43 HA GLU 43 1.652 -2.031 6.513 315 HB2 GLU 43 1HB GLU 43 1.794 -0.219 8.196 316 HB3 GLU 43 2HB GLU 43 0.212 0.380 7.728 317 HG2 GLU 43 1HG GLU 43 0.020 -0.828 9.803 318 HG3 GLU 43 2HG GLU 43 -0.809 -1.733 8.541 319 H LYS 44 H LYS 44 0.005 -3.477 6.462 320 HA LYS 44 HA LYS 44 -2.602 -2.696 5.279 321 HB2 LYS 44 1HB LYS 44 -1.151 -5.348 4.808 322 HB3 LYS 44 2HB LYS 44 -2.753 -4.914 4.204 323 HG2 LYS 44 1HG LYS 44 -1.575 -3.008 2.925 324 HG3 LYS 44 2HG LYS 44 -0.058 -3.817 3.335 325 HD2 LYS 44 1HD LYS 44 -0.694 -4.574 1.129 326 HD3 LYS 44 2HD LYS 44 -0.982 -5.918 2.237 327 HE2 LYS 44 1HE LYS 44 -3.434 -4.924 2.337 328 HE3 LYS 44 2HE LYS 44 -2.984 -4.162 0.812 329 HZ1 LYS 44 3HZ LYS 44 -4.040 -6.205 0.349 330 HZ2 LYS 44 1HZ LYS 44 -3.080 -7.054 1.450 331 HZ3 LYS 44 2HZ LYS 44 -2.400 -6.443 0.032 332 H GLU 45 H GLU 45 -4.421 -3.977 5.984 333 HA GLU 45 HA GLU 45 -4.322 -4.894 8.729 334 HB2 GLU 45 1HB GLU 45 -6.596 -4.850 6.700 335 HB3 GLU 45 2HB GLU 45 -6.781 -5.284 8.404 336 HG2 GLU 45 1HG GLU 45 -6.059 -3.027 9.073 337 HG3 GLU 45 2HG GLU 45 -5.823 -2.584 7.380 338 H ASP 46 H ASP 46 -3.533 -6.359 5.871 339 HA ASP 46 HA ASP 46 -4.237 -9.073 6.246 340 HB2 ASP 46 1HB ASP 46 -1.738 -7.856 4.935 341 HB3 ASP 46 2HB ASP 46 -2.233 -9.544 4.785 342 H GLY 47 H GLY 47 -1.903 -6.986 7.792 343 HA2 GLY 47 1HA GLY 47 -0.860 -7.444 9.869 344 HA3 GLY 47 2HA GLY 47 -0.958 -9.165 9.545 345 H LEU 48 H LEU 48 0.013 -8.362 6.701 346 HA LEU 48 HA LEU 48 2.902 -8.450 7.275 347 HB2 LEU 48 1HB LEU 48 1.442 -8.982 4.641 348 HB3 LEU 48 2HB LEU 48 3.162 -9.171 4.919 349 HG LEU 48 HG LEU 48 2.331 -11.366 4.911 350 HD11 LEU 48 1HD1 LEU 48 3.832 -10.979 6.779 351 HD12 LEU 48 2HD1 LEU 48 2.667 -12.253 7.134 352 HD13 LEU 48 3HD1 LEU 48 2.458 -10.646 7.836 353 HD21 LEU 48 3HD2 LEU 48 -0.056 -10.870 4.970 354 HD22 LEU 48 1HD2 LEU 48 0.029 -10.537 6.702 355 HD23 LEU 48 2HD2 LEU 48 0.343 -12.167 6.094 356 H ARG 49 H ARG 49 4.343 -7.052 6.181 357 HA ARG 49 HA ARG 49 3.242 -4.727 4.699 358 HB2 ARG 49 1HB ARG 49 5.556 -4.815 6.688 359 HB3 ARG 49 2HB ARG 49 5.332 -3.482 5.549 360 HG2 ARG 49 1HG ARG 49 3.082 -3.066 6.553 361 HG3 ARG 49 2HG ARG 49 3.410 -4.329 7.747 362 HD2 ARG 49 1HD ARG 49 5.135 -1.856 7.363 363 HD3 ARG 49 2HD ARG 49 3.823 -1.977 8.537 364 HE ARG 49 HE ARG 49 5.238 -4.052 9.288 365 HH11 ARG 49 1HH1 ARG 49 6.535 -0.957 8.289 366 HH12 ARG 49 2HH1 ARG 49 7.818 -0.975 9.457 367 HH21 ARG 49 1HH2 ARG 49 6.891 -4.065 10.814 368 HH22 ARG 49 2HH2 ARG 49 8.027 -2.760 10.876 369 H GLY 50 H GLY 50 5.006 -3.732 3.317 370 HA2 GLY 50 1HA GLY 50 7.092 -5.435 2.266 371 HA3 GLY 50 2HA GLY 50 5.684 -5.308 1.207 372 H TRP 51 H TRP 51 7.921 -4.426 0.119 373 HA TRP 51 HA TRP 51 7.960 -1.467 0.413 374 HB2 TRP 51 1HB TRP 51 10.286 -1.621 -0.634 375 HB3 TRP 51 2HB TRP 51 10.151 -2.300 0.984 376 HD1 TRP 51 HD1 TRP 51 10.104 -5.090 1.118 377 HE1 TRP 51 HE1 TRP 51 11.265 -6.824 -0.381 378 HE3 TRP 51 HE3 TRP 51 11.048 -2.156 -2.973 379 HZ2 TRP 51 HZ2 TRP 51 12.422 -6.951 -2.943 380 HZ3 TRP 51 HZ3 TRP 51 12.182 -3.168 -4.914 381 HH2 TRP 51 HH2 TRP 51 12.857 -5.522 -4.897 382 H PHE 52 H PHE 52 7.243 -0.341 -1.252 383 HA PHE 52 HA PHE 52 7.179 -1.328 -3.994 384 HB2 PHE 52 1HB PHE 52 4.605 -0.813 -2.410 385 HB3 PHE 52 2HB PHE 52 4.652 -0.814 -4.167 386 HD1 PHE 52 HD2 PHE 52 5.118 -2.920 -5.417 387 HD2 PHE 52 HD1 PHE 52 4.619 -2.909 -1.166 388 HE1 PHE 52 HE2 PHE 52 4.790 -5.361 -5.441 389 HE2 PHE 52 HE1 PHE 52 4.298 -5.347 -1.201 390 HZ PHE 52 HZ PHE 52 4.387 -6.570 -3.335 391 HA PRO 53 HA PRO 53 7.328 3.185 -4.588 392 HB2 PRO 53 1HB PRO 53 7.022 2.959 -7.453 393 HB3 PRO 53 2HB PRO 53 8.527 3.103 -6.544 394 HG2 PRO 53 1HG PRO 53 7.705 0.840 -7.989 395 HG3 PRO 53 2HG PRO 53 8.993 0.876 -6.769 396 HD2 PRO 53 1HD PRO 53 6.136 -0.014 -6.492 397 HD3 PRO 53 2HD PRO 53 7.604 -0.676 -5.738 398 H ALA 54 H ALA 54 6.048 4.854 -5.912 399 HA ALA 54 HA ALA 54 3.251 4.761 -5.400 400 HB1 ALA 54 3HB ALA 54 3.161 6.943 -6.559 401 HB2 ALA 54 1HB ALA 54 4.794 6.689 -7.185 402 HB3 ALA 54 2HB ALA 54 4.533 6.880 -5.451 403 H SER 55 H SER 55 5.081 3.487 -7.975 404 HA SER 55 HA SER 55 3.439 3.673 -10.219 405 HB2 SER 55 1HB SER 55 5.817 2.912 -10.216 406 HB3 SER 55 2HB SER 55 5.317 1.396 -9.469 407 HG SER 55 HG SER 55 3.933 2.036 -11.765 408 H TYR 56 H TYR 56 2.918 1.785 -7.363 409 HA TYR 56 HA TYR 56 0.864 0.095 -8.683 410 HB2 TYR 56 1HB TYR 56 2.429 -0.420 -6.111 411 HB3 TYR 56 2HB TYR 56 1.160 -1.464 -6.741 412 HD1 TYR 56 HD1 TYR 56 4.580 -0.162 -7.434 413 HD2 TYR 56 HD2 TYR 56 1.648 -3.092 -8.491 414 HE1 TYR 56 HE1 TYR 56 6.249 -1.350 -8.794 415 HE2 TYR 56 HE2 TYR 56 3.327 -4.283 -9.847 416 HH TYR 56 HH TYR 56 6.671 -3.594 -9.672 417 H VAL 57 H VAL 57 1.253 2.747 -6.533 418 HA VAL 57 HA VAL 57 -1.452 2.378 -5.391 419 HB VAL 57 HB VAL 57 -0.629 3.257 -3.161 420 HG11 VAL 57 1HG1 VAL 57 0.268 1.093 -2.338 421 HG12 VAL 57 2HG1 VAL 57 0.543 0.572 -4.002 422 HG13 VAL 57 3HG1 VAL 57 -1.102 0.856 -3.428 423 HG21 VAL 57 3HG2 VAL 57 1.802 3.085 -2.602 424 HG22 VAL 57 1HG2 VAL 57 1.503 4.287 -3.862 425 HG23 VAL 57 2HG2 VAL 57 2.158 2.706 -4.291 426 H GLN 58 H GLN 58 -2.670 4.200 -5.306 427 HA GLN 58 HA GLN 58 -1.621 6.712 -6.401 428 HB2 GLN 58 1HB GLN 58 -3.751 5.775 -7.283 429 HB3 GLN 58 2HB GLN 58 -4.461 5.859 -5.673 430 HG2 GLN 58 1HG GLN 58 -4.080 8.392 -5.779 431 HG3 GLN 58 2HG GLN 58 -3.671 8.167 -7.481 432 HE21 GLN 58 2HE2 GLN 58 -6.210 6.422 -5.712 433 HE22 GLN 58 1HE2 GLN 58 -7.529 7.097 -6.591 434 H LEU 59 H LEU 59 -0.779 8.145 -4.922 435 HA LEU 59 HA LEU 59 -1.169 8.015 -2.125 436 HB2 LEU 59 1HB LEU 59 -0.139 10.351 -3.790 437 HB3 LEU 59 2HB LEU 59 0.060 10.172 -2.050 438 HG LEU 59 HG LEU 59 1.323 8.403 -4.196 439 HD11 LEU 59 1HD1 LEU 59 2.367 10.609 -4.059 440 HD12 LEU 59 2HD1 LEU 59 3.460 9.366 -3.458 441 HD13 LEU 59 3HD1 LEU 59 2.611 10.416 -2.320 442 HD21 LEU 59 3HD2 LEU 59 1.607 8.204 -1.173 443 HD22 LEU 59 1HD2 LEU 59 2.534 7.281 -2.360 444 HD23 LEU 59 2HD2 LEU 59 0.795 7.047 -2.230 445 H LEU 60 H LEU 60 -2.782 8.776 -0.877 446 HA LEU 60 HA LEU 60 -5.058 10.116 -2.041 447 HB2 LEU 60 1HB LEU 60 -4.494 9.014 0.734 448 HB3 LEU 60 2HB LEU 60 -5.991 9.853 0.346 449 HG LEU 60 HG LEU 60 -5.043 7.303 -1.044 450 HD11 LEU 60 1HD1 LEU 60 -5.574 6.819 1.289 451 HD12 LEU 60 2HD1 LEU 60 -6.794 6.129 0.222 452 HD13 LEU 60 3HD1 LEU 60 -7.148 7.604 1.128 453 HD21 LEU 60 3HD2 LEU 60 -7.320 7.238 -1.998 454 HD22 LEU 60 1HD2 LEU 60 -6.463 8.701 -2.479 455 HD23 LEU 60 2HD2 LEU 60 -7.702 8.779 -1.223 Start of MODEL 15 1 H1 MET 1 1H MET 1 2.378 17.031 12.167 2 H2 MET 1 2H MET 1 0.943 16.515 12.901 3 H3 MET 1 3H MET 1 0.928 17.002 11.285 4 HA MET 1 HA MET 1 2.292 15.155 10.652 5 HB2 MET 1 1HB MET 1 3.449 15.049 12.950 6 HB3 MET 1 2HB MET 1 2.016 14.225 13.550 7 HG2 MET 1 1HG MET 1 3.749 13.180 11.293 8 HG3 MET 1 2HG MET 1 3.929 12.712 12.982 9 HE1 MET 1 3HE MET 1 3.735 10.112 11.984 10 HE2 MET 1 1HE MET 1 3.458 10.774 10.377 11 HE3 MET 1 2HE MET 1 2.343 9.577 11.045 12 H SER 2 H SER 2 1.056 13.558 9.676 13 HA SER 2 HA SER 2 -1.565 12.817 10.787 14 HB2 SER 2 1HB SER 2 -1.934 14.739 9.216 15 HB3 SER 2 2HB SER 2 -1.186 13.807 7.923 16 HG SER 2 HG SER 2 -3.142 13.136 7.602 17 H GLY 3 H GLY 3 -2.446 10.875 9.842 18 HA2 GLY 3 1HA GLY 3 -0.489 8.811 9.436 19 HA3 GLY 3 2HA GLY 3 -2.238 8.624 9.481 20 H ALA 4 H ALA 4 0.536 9.222 7.446 21 HA ALA 4 HA ALA 4 -0.640 9.844 4.976 22 HB1 ALA 4 3HB ALA 4 1.521 9.176 3.987 23 HB2 ALA 4 1HB ALA 4 1.981 8.379 5.496 24 HB3 ALA 4 2HB ALA 4 1.771 10.130 5.449 25 H ARG 5 H ARG 5 -1.518 8.636 3.372 26 HA ARG 5 HA ARG 5 -1.678 5.710 3.590 27 HB2 ARG 5 1HB ARG 5 -4.166 5.784 3.429 28 HB3 ARG 5 2HB ARG 5 -3.577 6.517 4.918 29 HG2 ARG 5 1HG ARG 5 -3.886 8.777 3.905 30 HG3 ARG 5 2HG ARG 5 -4.527 8.017 2.449 31 HD2 ARG 5 1HD ARG 5 -6.359 8.826 3.824 32 HD3 ARG 5 2HD ARG 5 -6.385 7.061 3.792 33 HE ARG 5 HE ARG 5 -5.062 7.379 6.018 34 HH11 ARG 5 1HH1 ARG 5 -7.785 9.341 4.979 35 HH12 ARG 5 2HH1 ARG 5 -8.334 9.631 6.596 36 HH21 ARG 5 1HH2 ARG 5 -5.790 7.760 8.108 37 HH22 ARG 5 2HH2 ARG 5 -7.198 8.736 8.380 38 H CYS 6 H CYS 6 -2.335 4.686 1.711 39 HA CYS 6 HA CYS 6 -2.829 6.208 -0.755 40 HB2 CYS 6 1HB CYS 6 -0.738 4.007 -0.454 41 HB3 CYS 6 2HB CYS 6 -1.273 4.666 -1.999 42 HG CYS 6 HG CYS 6 -0.293 7.122 -0.030 43 H ARG 7 H ARG 7 -4.044 5.034 -2.289 44 HA ARG 7 HA ARG 7 -5.540 2.728 -1.193 45 HB2 ARG 7 1HB ARG 7 -6.818 4.855 -1.622 46 HB3 ARG 7 2HB ARG 7 -6.395 4.737 -3.328 47 HG2 ARG 7 1HG ARG 7 -7.651 2.622 -3.506 48 HG3 ARG 7 2HG ARG 7 -8.035 2.693 -1.782 49 HD2 ARG 7 1HD ARG 7 -9.278 4.806 -2.168 50 HD3 ARG 7 2HD ARG 7 -8.921 4.693 -3.895 51 HE ARG 7 HE ARG 7 -10.916 3.248 -2.410 52 HH11 ARG 7 1HH1 ARG 7 -8.965 3.165 -5.332 53 HH12 ARG 7 2HH1 ARG 7 -10.008 2.047 -6.139 54 HH21 ARG 7 1HH2 ARG 7 -12.297 1.807 -3.498 55 HH22 ARG 7 2HH2 ARG 7 -11.906 1.298 -5.111 56 H THR 8 H THR 8 -5.993 0.983 -2.562 57 HA THR 8 HA THR 8 -4.198 0.522 -4.819 58 HB THR 8 HB THR 8 -5.361 -1.766 -4.800 59 HG1 THR 8 HG1 THR 8 -6.410 -1.913 -2.513 60 HG21 THR 8 3HG2 THR 8 -4.067 -0.862 -2.196 61 HG22 THR 8 1HG2 THR 8 -3.210 -1.434 -3.630 62 HG23 THR 8 2HG2 THR 8 -4.254 -2.535 -2.729 63 H LEU 9 H LEU 9 -4.741 0.719 -6.861 64 HA LEU 9 HA LEU 9 -7.304 1.712 -7.747 65 HB2 LEU 9 1HB LEU 9 -4.807 0.885 -9.283 66 HB3 LEU 9 2HB LEU 9 -6.184 1.730 -9.980 67 HG LEU 9 HG LEU 9 -4.411 2.882 -7.782 68 HD11 LEU 9 1HD1 LEU 9 -4.351 3.484 -10.761 69 HD12 LEU 9 2HD1 LEU 9 -3.115 2.613 -9.848 70 HD13 LEU 9 3HD1 LEU 9 -3.421 4.314 -9.508 71 HD21 LEU 9 3HD2 LEU 9 -6.685 3.790 -7.762 72 HD22 LEU 9 1HD2 LEU 9 -6.574 4.177 -9.481 73 HD23 LEU 9 2HD2 LEU 9 -5.543 5.007 -8.314 74 H TYR 10 H TYR 10 -5.317 -1.194 -8.356 75 HA TYR 10 HA TYR 10 -7.697 -2.722 -9.215 76 HB2 TYR 10 1HB TYR 10 -5.034 -2.614 -10.719 77 HB3 TYR 10 2HB TYR 10 -6.376 -3.679 -11.116 78 HD1 TYR 10 HD1 TYR 10 -8.560 -2.656 -11.965 79 HD2 TYR 10 HD2 TYR 10 -4.978 -0.353 -11.549 80 HE1 TYR 10 HE1 TYR 10 -9.491 -0.927 -13.452 81 HE2 TYR 10 HE2 TYR 10 -5.918 1.367 -13.034 82 HH TYR 10 HH TYR 10 -7.595 1.542 -14.821 83 HA PRO 11 HA PRO 11 -5.506 -5.929 -6.844 84 HB2 PRO 11 1HB PRO 11 -6.776 -8.187 -7.696 85 HB3 PRO 11 2HB PRO 11 -7.544 -7.024 -6.605 86 HG2 PRO 11 1HG PRO 11 -7.970 -7.445 -9.536 87 HG3 PRO 11 2HG PRO 11 -9.135 -6.956 -8.291 88 HD2 PRO 11 1HD PRO 11 -7.862 -5.227 -10.114 89 HD3 PRO 11 2HD PRO 11 -8.688 -4.724 -8.628 90 H PHE 12 H PHE 12 -3.505 -5.490 -7.915 91 HA PHE 12 HA PHE 12 -2.917 -6.898 -10.422 92 HB2 PHE 12 1HB PHE 12 -2.288 -4.522 -10.305 93 HB3 PHE 12 2HB PHE 12 -1.288 -4.830 -8.891 94 HD1 PHE 12 HD2 PHE 12 -1.644 -6.388 -12.303 95 HD2 PHE 12 HD1 PHE 12 1.004 -4.709 -9.390 96 HE1 PHE 12 HE2 PHE 12 0.268 -6.833 -13.782 97 HE2 PHE 12 HE1 PHE 12 2.911 -5.153 -10.881 98 HZ PHE 12 HZ PHE 12 2.544 -6.214 -13.074 99 H SER 13 H SER 13 -2.611 -8.980 -9.972 100 HA SER 13 HA SER 13 -0.081 -9.765 -8.819 101 HB2 SER 13 1HB SER 13 -2.684 -10.975 -7.745 102 HB3 SER 13 2HB SER 13 -1.062 -11.567 -7.380 103 HG SER 13 HG SER 13 -0.881 -9.122 -6.727 104 H GLY 14 H GLY 14 -0.222 -9.741 -11.311 105 HA2 GLY 14 1HA GLY 14 -1.623 -11.719 -12.784 106 HA3 GLY 14 2HA GLY 14 -0.169 -10.883 -13.308 107 H GLU 15 H GLU 15 1.490 -11.728 -11.191 108 HA GLU 15 HA GLU 15 1.571 -14.681 -11.323 109 HB2 GLU 15 1HB GLU 15 3.383 -13.903 -12.725 110 HB3 GLU 15 2HB GLU 15 3.880 -12.697 -11.548 111 HG2 GLU 15 1HG GLU 15 5.468 -14.515 -11.564 112 HG3 GLU 15 2HG GLU 15 4.622 -14.503 -10.021 113 H ARG 16 H ARG 16 1.843 -15.664 -9.377 114 HA ARG 16 HA ARG 16 1.438 -14.269 -6.940 115 HB2 ARG 16 1HB ARG 16 0.741 -16.651 -7.328 116 HB3 ARG 16 2HB ARG 16 2.439 -17.121 -7.379 117 HG2 ARG 16 1HG ARG 16 2.655 -16.288 -4.981 118 HG3 ARG 16 2HG ARG 16 0.903 -16.053 -4.979 119 HD2 ARG 16 1HD ARG 16 2.392 -18.679 -5.323 120 HD3 ARG 16 2HD ARG 16 1.423 -18.193 -3.930 121 HE ARG 16 HE ARG 16 -0.271 -18.112 -6.122 122 HH11 ARG 16 1HH1 ARG 16 1.553 -20.578 -4.410 123 HH12 ARG 16 2HH1 ARG 16 0.510 -21.865 -4.908 124 HH21 ARG 16 1HH2 ARG 16 -1.622 -19.800 -6.780 125 HH22 ARG 16 2HH2 ARG 16 -1.294 -21.424 -6.264 126 H HIS 17 H HIS 17 4.245 -15.977 -8.305 127 HA HIS 17 HA HIS 17 6.457 -15.909 -8.078 128 HB2 HIS 17 1HB HIS 17 6.297 -13.549 -8.703 129 HB3 HIS 17 2HB HIS 17 5.989 -13.092 -7.029 130 HD2 HIS 17 HD2 HIS 17 8.196 -12.389 -5.642 131 HE1 HIS 17 HE1 HIS 17 11.066 -14.084 -8.248 132 HE2 HIS 17 HE2 HIS 17 10.705 -12.561 -6.257 133 H GLY 18 H GLY 18 5.674 -14.031 -5.153 134 HA2 GLY 18 1HA GLY 18 5.612 -15.601 -3.059 135 HA3 GLY 18 2HA GLY 18 7.294 -15.874 -3.508 136 H GLN 19 H GLN 19 8.496 -13.732 -3.997 137 HA GLN 19 HA GLN 19 8.490 -12.191 -1.562 138 HB2 GLN 19 1HB GLN 19 10.210 -11.764 -4.054 139 HB3 GLN 19 2HB GLN 19 10.514 -11.120 -2.442 140 HG2 GLN 19 1HG GLN 19 10.679 -14.009 -3.331 141 HG3 GLN 19 2HG GLN 19 12.013 -12.970 -2.839 142 HE21 GLN 19 2HE2 GLN 19 12.244 -12.472 -0.589 143 HE22 GLN 19 1HE2 GLN 19 11.522 -13.473 0.621 144 H GLY 20 H GLY 20 6.883 -10.740 -1.344 145 HA2 GLY 20 1HA GLY 20 6.686 -8.287 -2.500 146 HA3 GLY 20 2HA GLY 20 5.692 -9.303 -3.547 147 H LEU 21 H LEU 21 3.950 -7.857 -2.777 148 HA LEU 21 HA LEU 21 2.590 -9.080 -0.485 149 HB2 LEU 21 1HB LEU 21 3.766 -6.902 0.251 150 HB3 LEU 21 2HB LEU 21 2.676 -6.049 -0.829 151 HG LEU 21 HG LEU 21 0.729 -6.988 0.506 152 HD11 LEU 21 1HD1 LEU 21 2.932 -7.942 2.364 153 HD12 LEU 21 2HD1 LEU 21 1.753 -8.938 1.504 154 HD13 LEU 21 3HD1 LEU 21 1.222 -7.858 2.789 155 HD21 LEU 21 3HD2 LEU 21 0.952 -5.430 2.393 156 HD22 LEU 21 1HD2 LEU 21 1.508 -4.690 0.895 157 HD23 LEU 21 2HD2 LEU 21 2.679 -5.272 2.077 158 H ARG 22 H ARG 22 0.645 -9.746 -1.231 159 HA ARG 22 HA ARG 22 -0.393 -8.878 -3.786 160 HB2 ARG 22 1HB ARG 22 -0.602 -11.231 -3.170 161 HB3 ARG 22 2HB ARG 22 -1.490 -10.822 -1.708 162 HG2 ARG 22 1HG ARG 22 -3.398 -10.039 -3.034 163 HG3 ARG 22 2HG ARG 22 -2.505 -10.305 -4.531 164 HD2 ARG 22 1HD ARG 22 -4.163 -12.104 -4.065 165 HD3 ARG 22 2HD ARG 22 -2.509 -12.714 -4.155 166 HE ARG 22 HE ARG 22 -2.550 -13.211 -1.898 167 HH11 ARG 22 1HH1 ARG 22 -5.485 -11.466 -2.656 168 HH12 ARG 22 2HH1 ARG 22 -6.248 -11.877 -1.158 169 HH21 ARG 22 1HH2 ARG 22 -3.553 -13.744 0.045 170 HH22 ARG 22 2HH2 ARG 22 -5.157 -13.171 0.374 171 H PHE 23 H PHE 23 -1.674 -7.198 -4.073 172 HA PHE 23 HA PHE 23 -3.339 -6.141 -1.870 173 HB2 PHE 23 1HB PHE 23 -2.956 -3.865 -2.846 174 HB3 PHE 23 2HB PHE 23 -1.491 -4.610 -2.234 175 HD1 PHE 23 HD2 PHE 23 0.210 -5.543 -3.879 176 HD2 PHE 23 HD1 PHE 23 -3.115 -3.178 -5.164 177 HE1 PHE 23 HE2 PHE 23 1.362 -5.068 -6.005 178 HE2 PHE 23 HE1 PHE 23 -1.955 -2.719 -7.288 179 HZ PHE 23 HZ PHE 23 0.284 -3.653 -7.702 180 H ALA 24 H ALA 24 -5.435 -5.947 -2.274 181 HA ALA 24 HA ALA 24 -6.505 -6.408 -4.998 182 HB1 ALA 24 3HB ALA 24 -7.211 -8.015 -3.261 183 HB2 ALA 24 1HB ALA 24 -8.586 -7.089 -3.868 184 HB3 ALA 24 2HB ALA 24 -7.875 -6.693 -2.300 185 H ALA 25 H ALA 25 -8.311 -5.101 -5.719 186 HA ALA 25 HA ALA 25 -7.976 -2.326 -5.488 187 HB1 ALA 25 3HB ALA 25 -9.000 -3.392 -7.455 188 HB2 ALA 25 1HB ALA 25 -10.065 -2.149 -6.802 189 HB3 ALA 25 2HB ALA 25 -10.404 -3.853 -6.493 190 H GLY 26 H GLY 26 -8.547 -0.950 -3.916 191 HA2 GLY 26 1HA GLY 26 -10.329 0.158 -2.696 192 HA3 GLY 26 2HA GLY 26 -10.987 -1.415 -2.275 193 H GLU 27 H GLU 27 -8.139 -2.358 -1.761 194 HA GLU 27 HA GLU 27 -8.049 -2.019 1.028 195 HB2 GLU 27 1HB GLU 27 -5.855 -2.902 -0.898 196 HB3 GLU 27 2HB GLU 27 -5.739 -3.027 0.855 197 HG2 GLU 27 1HG GLU 27 -7.793 -4.442 -0.877 198 HG3 GLU 27 2HG GLU 27 -6.326 -5.170 -0.221 199 H LEU 28 H LEU 28 -7.270 -0.449 2.288 200 HA LEU 28 HA LEU 28 -5.636 1.734 1.168 201 HB2 LEU 28 1HB LEU 28 -7.056 1.503 3.856 202 HB3 LEU 28 2HB LEU 28 -6.128 2.902 3.322 203 HG LEU 28 HG LEU 28 -8.713 1.884 2.058 204 HD11 LEU 28 1HD1 LEU 28 -9.711 3.974 2.852 205 HD12 LEU 28 2HD1 LEU 28 -8.195 4.419 3.640 206 HD13 LEU 28 3HD1 LEU 28 -9.100 3.010 4.197 207 HD21 LEU 28 3HD2 LEU 28 -7.018 4.281 1.262 208 HD22 LEU 28 1HD2 LEU 28 -8.615 3.891 0.614 209 HD23 LEU 28 2HD2 LEU 28 -7.260 2.808 0.319 210 H ILE 29 H ILE 29 -3.524 1.720 1.484 211 HA ILE 29 HA ILE 29 -2.248 0.092 3.595 212 HB ILE 29 HB ILE 29 -1.138 1.223 0.966 213 HG12 ILE 29 1HG1 ILE 29 -0.553 -1.268 0.558 214 HG13 ILE 29 2HG1 ILE 29 -1.570 -1.640 1.942 215 HG21 ILE 29 1HG2 ILE 29 1.055 0.207 1.556 216 HG22 ILE 29 2HG2 ILE 29 0.434 -0.159 3.166 217 HG23 ILE 29 3HG2 ILE 29 0.603 1.520 2.649 218 HD11 ILE 29 3HD1 ILE 29 -3.496 -0.723 0.757 219 HD12 ILE 29 1HD1 ILE 29 -2.716 -2.018 -0.147 220 HD13 ILE 29 2HD1 ILE 29 -2.464 -0.337 -0.623 221 H THR 30 H THR 30 -1.766 1.263 5.382 222 HA THR 30 HA THR 30 -1.392 4.163 5.262 223 HB THR 30 HB THR 30 -1.325 2.280 7.669 224 HG1 THR 30 HG1 THR 30 -3.356 2.683 6.373 225 HG21 THR 30 3HG2 THR 30 -0.080 4.367 8.140 226 HG22 THR 30 1HG2 THR 30 -1.609 4.336 9.030 227 HG23 THR 30 2HG2 THR 30 -1.448 5.328 7.581 228 H LEU 31 H LEU 31 0.530 4.893 4.673 229 HA LEU 31 HA LEU 31 2.940 3.416 4.616 230 HB2 LEU 31 1HB LEU 31 2.368 6.382 4.265 231 HB3 LEU 31 2HB LEU 31 3.979 5.698 4.101 232 HG LEU 31 HG LEU 31 3.106 4.247 2.229 233 HD11 LEU 31 1HD1 LEU 31 0.712 4.253 2.767 234 HD12 LEU 31 2HD1 LEU 31 0.998 4.817 1.122 235 HD13 LEU 31 3HD1 LEU 31 0.629 5.978 2.400 236 HD21 LEU 31 3HD2 LEU 31 2.846 7.236 1.807 237 HD22 LEU 31 1HD2 LEU 31 3.122 6.029 0.547 238 HD23 LEU 31 2HD2 LEU 31 4.349 6.312 1.780 239 H LEU 32 H LEU 32 4.144 2.886 6.283 240 HA LEU 32 HA LEU 32 4.087 4.303 8.835 241 HB2 LEU 32 1HB LEU 32 5.776 1.912 7.996 242 HB3 LEU 32 2HB LEU 32 5.500 2.478 9.641 243 HG LEU 32 HG LEU 32 3.444 1.182 7.797 244 HD11 LEU 32 1HD1 LEU 32 5.026 -0.418 8.732 245 HD12 LEU 32 2HD1 LEU 32 3.434 -0.640 9.446 246 HD13 LEU 32 3HD1 LEU 32 4.706 0.170 10.368 247 HD21 LEU 32 3HD2 LEU 32 3.023 2.255 10.612 248 HD22 LEU 32 1HD2 LEU 32 1.861 1.283 9.702 249 HD23 LEU 32 2HD2 LEU 32 2.308 2.887 9.127 250 H GLN 33 H GLN 33 6.199 3.762 6.081 251 HA GLN 33 HA GLN 33 8.242 5.631 7.148 252 HB2 GLN 33 1HB GLN 33 8.621 3.376 5.115 253 HB3 GLN 33 2HB GLN 33 9.883 4.433 5.747 254 HG2 GLN 33 1HG GLN 33 8.293 2.405 7.351 255 HG3 GLN 33 2HG GLN 33 9.951 2.203 6.784 256 HE21 GLN 33 2HE2 GLN 33 8.871 2.180 9.528 257 HE22 GLN 33 1HE2 GLN 33 9.746 3.396 10.390 258 H VAL 34 H VAL 34 8.698 7.399 5.906 259 HA VAL 34 HA VAL 34 7.904 7.557 3.092 260 HB VAL 34 HB VAL 34 6.937 9.954 3.575 261 HG11 VAL 34 1HG1 VAL 34 5.298 7.522 4.382 262 HG12 VAL 34 2HG1 VAL 34 5.515 8.134 2.742 263 HG13 VAL 34 3HG1 VAL 34 4.639 9.099 3.930 264 HG21 VAL 34 3HG2 VAL 34 7.587 10.144 5.951 265 HG22 VAL 34 1HG2 VAL 34 6.586 8.751 6.358 266 HG23 VAL 34 2HG2 VAL 34 5.832 10.244 5.790 267 HA PRO 35 HA PRO 35 12.038 9.675 3.931 268 HB2 PRO 35 1HB PRO 35 13.247 7.610 2.183 269 HB3 PRO 35 2HB PRO 35 13.677 8.060 3.837 270 HG2 PRO 35 1HG PRO 35 12.521 5.684 3.269 271 HG3 PRO 35 2HG PRO 35 12.176 6.551 4.785 272 HD2 PRO 35 1HD PRO 35 10.552 6.506 2.226 273 HD3 PRO 35 2HD PRO 35 10.008 6.241 3.902 274 H ASP 36 H ASP 36 13.744 10.104 1.993 275 HA ASP 36 HA ASP 36 12.308 11.568 -0.042 276 HB2 ASP 36 1HB ASP 36 15.300 11.167 0.423 277 HB3 ASP 36 2HB ASP 36 14.629 12.240 -0.800 278 H GLY 37 H GLY 37 11.345 10.233 -1.536 279 HA2 GLY 37 1HA GLY 37 12.658 9.415 -3.793 280 HA3 GLY 37 2HA GLY 37 12.675 7.982 -2.771 281 H GLY 38 H GLY 38 11.400 6.918 -4.375 282 HA2 GLY 38 1HA GLY 38 8.527 7.683 -4.449 283 HA3 GLY 38 2HA GLY 38 9.347 6.691 -5.641 284 H TRP 39 H TRP 39 10.786 5.168 -3.552 285 HA TRP 39 HA TRP 39 8.790 3.111 -3.074 286 HB2 TRP 39 1HB TRP 39 11.767 3.241 -2.411 287 HB3 TRP 39 2HB TRP 39 10.752 1.847 -2.071 288 HD1 TRP 39 HD1 TRP 39 11.866 3.902 -5.210 289 HE1 TRP 39 HE1 TRP 39 12.114 2.254 -7.165 290 HE3 TRP 39 HE3 TRP 39 10.319 -0.403 -2.889 291 HZ2 TRP 39 HZ2 TRP 39 11.714 -0.479 -7.683 292 HZ3 TRP 39 HZ3 TRP 39 10.288 -2.485 -4.196 293 HH2 TRP 39 HH2 TRP 39 10.974 -2.532 -6.544 294 H TRP 40 H TRP 40 7.455 3.390 -1.391 295 HA TRP 40 HA TRP 40 8.537 4.159 1.262 296 HB2 TRP 40 1HB TRP 40 5.770 4.834 0.153 297 HB3 TRP 40 2HB TRP 40 6.360 5.237 1.762 298 HD1 TRP 40 HD1 TRP 40 9.057 6.628 1.260 299 HE1 TRP 40 HE1 TRP 40 9.211 8.850 -0.003 300 HE3 TRP 40 HE3 TRP 40 4.666 6.386 -1.358 301 HZ2 TRP 40 HZ2 TRP 40 7.708 10.311 -1.868 302 HZ3 TRP 40 HZ3 TRP 40 4.107 8.247 -2.867 303 HH2 TRP 40 HH2 TRP 40 5.590 10.173 -3.117 304 H GLU 41 H GLU 41 7.935 2.860 2.978 305 HA GLU 41 HA GLU 41 6.539 0.360 2.326 306 HB2 GLU 41 1HB GLU 41 8.160 1.093 4.800 307 HB3 GLU 41 2HB GLU 41 7.427 -0.479 4.476 308 HG2 GLU 41 1HG GLU 41 8.859 -0.490 2.319 309 HG3 GLU 41 2HG GLU 41 9.748 0.842 3.054 310 H GLY 42 H GLY 42 4.691 -0.282 3.265 311 HA2 GLY 42 1HA GLY 42 3.398 1.294 5.382 312 HA3 GLY 42 2HA GLY 42 2.588 1.153 3.824 313 H GLU 43 H GLU 43 1.159 0.261 5.857 314 HA GLU 43 HA GLU 43 1.536 -2.668 6.010 315 HB2 GLU 43 1HB GLU 43 2.167 -0.995 8.084 316 HB3 GLU 43 2HB GLU 43 0.463 -1.229 8.431 317 HG2 GLU 43 1HG GLU 43 2.398 -3.535 8.063 318 HG3 GLU 43 2HG GLU 43 2.147 -2.745 9.616 319 H LYS 44 H LYS 44 -0.289 -3.882 6.180 320 HA LYS 44 HA LYS 44 -2.843 -2.817 5.240 321 HB2 LYS 44 1HB LYS 44 -1.967 -5.656 5.917 322 HB3 LYS 44 2HB LYS 44 -3.429 -5.213 5.046 323 HG2 LYS 44 1HG LYS 44 -2.147 -4.514 3.112 324 HG3 LYS 44 2HG LYS 44 -0.625 -4.674 3.998 325 HD2 LYS 44 1HD LYS 44 -2.514 -6.962 3.290 326 HD3 LYS 44 2HD LYS 44 -0.993 -6.592 2.471 327 HE2 LYS 44 1HE LYS 44 0.283 -7.114 4.478 328 HE3 LYS 44 2HE LYS 44 -1.188 -7.287 5.426 329 HZ1 LYS 44 3HZ LYS 44 -0.235 -9.054 3.264 330 HZ2 LYS 44 1HZ LYS 44 -1.765 -9.185 3.982 331 HZ3 LYS 44 2HZ LYS 44 -0.367 -9.411 4.909 332 H GLU 45 H GLU 45 -4.786 -4.166 6.373 333 HA GLU 45 HA GLU 45 -4.689 -3.910 9.298 334 HB2 GLU 45 1HB GLU 45 -6.912 -5.003 7.510 335 HB3 GLU 45 2HB GLU 45 -7.058 -4.559 9.209 336 HG2 GLU 45 1HG GLU 45 -6.523 -2.665 6.898 337 HG3 GLU 45 2HG GLU 45 -8.059 -2.869 7.736 338 H ASP 46 H ASP 46 -2.762 -5.538 9.152 339 HA ASP 46 HA ASP 46 -3.685 -8.321 9.331 340 HB2 ASP 46 1HB ASP 46 -3.324 -7.936 6.920 341 HB3 ASP 46 2HB ASP 46 -1.677 -7.395 7.232 342 H GLY 47 H GLY 47 -0.819 -6.187 9.316 343 HA2 GLY 47 1HA GLY 47 0.671 -6.128 11.237 344 HA3 GLY 47 2HA GLY 47 0.400 -7.845 11.466 345 H LEU 48 H LEU 48 0.659 -7.800 8.263 346 HA LEU 48 HA LEU 48 3.612 -7.958 8.202 347 HB2 LEU 48 1HB LEU 48 1.456 -9.091 6.406 348 HB3 LEU 48 2HB LEU 48 3.101 -8.939 5.823 349 HG LEU 48 HG LEU 48 2.689 -11.221 6.569 350 HD11 LEU 48 1HD1 LEU 48 4.942 -10.362 6.843 351 HD12 LEU 48 2HD1 LEU 48 4.560 -11.522 8.114 352 HD13 LEU 48 3HD1 LEU 48 4.560 -9.789 8.466 353 HD21 LEU 48 3HD2 LEU 48 2.180 -11.817 8.877 354 HD22 LEU 48 1HD2 LEU 48 0.905 -10.799 8.212 355 HD23 LEU 48 2HD2 LEU 48 2.088 -10.113 9.330 356 H ARG 49 H ARG 49 4.824 -6.525 7.089 357 HA ARG 49 HA ARG 49 3.489 -4.180 5.877 358 HB2 ARG 49 1HB ARG 49 5.019 -3.857 7.869 359 HB3 ARG 49 2HB ARG 49 6.356 -4.455 6.897 360 HG2 ARG 49 1HG ARG 49 5.889 -2.511 5.300 361 HG3 ARG 49 2HG ARG 49 4.778 -1.888 6.522 362 HD2 ARG 49 1HD ARG 49 6.843 -0.740 6.846 363 HD3 ARG 49 2HD ARG 49 6.746 -1.930 8.151 364 HE ARG 49 HE ARG 49 8.261 -2.542 5.683 365 HH11 ARG 49 1HH1 ARG 49 8.309 -2.151 9.179 366 HH12 ARG 49 2HH1 ARG 49 9.975 -2.622 9.301 367 HH21 ARG 49 1HH2 ARG 49 10.398 -3.130 5.875 368 HH22 ARG 49 2HH2 ARG 49 11.157 -3.168 7.437 369 H GLY 50 H GLY 50 4.059 -3.495 3.823 370 HA2 GLY 50 1HA GLY 50 6.079 -5.029 2.291 371 HA3 GLY 50 2HA GLY 50 4.464 -4.745 1.635 372 H TRP 51 H TRP 51 6.949 -3.930 0.515 373 HA TRP 51 HA TRP 51 6.929 -0.996 0.744 374 HB2 TRP 51 1HB TRP 51 9.068 -1.415 -0.866 375 HB3 TRP 51 2HB TRP 51 9.177 -1.460 0.882 376 HD1 TRP 51 HD1 TRP 51 9.825 -3.748 2.015 377 HE1 TRP 51 HE1 TRP 51 10.656 -5.999 1.110 378 HE3 TRP 51 HE3 TRP 51 8.744 -3.108 -2.959 379 HZ2 TRP 51 HZ2 TRP 51 10.839 -7.339 -1.341 380 HZ3 TRP 51 HZ3 TRP 51 9.282 -4.941 -4.519 381 HH2 TRP 51 HH2 TRP 51 10.310 -7.013 -3.720 382 H PHE 52 H PHE 52 6.196 0.270 -0.838 383 HA PHE 52 HA PHE 52 5.587 -0.845 -3.508 384 HB2 PHE 52 1HB PHE 52 3.725 0.936 -1.849 385 HB3 PHE 52 2HB PHE 52 3.461 0.496 -3.534 386 HD1 PHE 52 HD1 PHE 52 3.269 -2.044 -4.077 387 HD2 PHE 52 HD2 PHE 52 2.812 -0.426 -0.141 388 HE1 PHE 52 HE1 PHE 52 2.042 -4.058 -3.385 389 HE2 PHE 52 HE2 PHE 52 1.584 -2.447 0.536 390 HZ PHE 52 HZ PHE 52 1.199 -4.260 -1.084 391 HA PRO 53 HA PRO 53 7.462 3.170 -4.779 392 HB2 PRO 53 1HB PRO 53 6.596 2.199 -7.475 393 HB3 PRO 53 2HB PRO 53 8.188 2.752 -6.938 394 HG2 PRO 53 1HG PRO 53 7.716 0.148 -7.415 395 HG3 PRO 53 2HG PRO 53 8.778 0.660 -6.087 396 HD2 PRO 53 1HD PRO 53 5.900 -0.247 -5.971 397 HD3 PRO 53 2HD PRO 53 7.258 -0.676 -4.905 398 H ALA 54 H ALA 54 6.495 5.065 -5.520 399 HA ALA 54 HA ALA 54 3.809 5.554 -4.894 400 HB1 ALA 54 3HB ALA 54 4.224 7.826 -5.762 401 HB2 ALA 54 1HB ALA 54 5.705 7.270 -6.555 402 HB3 ALA 54 2HB ALA 54 5.586 7.267 -4.795 403 H SER 55 H SER 55 5.306 4.603 -7.869 404 HA SER 55 HA SER 55 3.302 5.487 -9.705 405 HB2 SER 55 1HB SER 55 5.495 3.401 -10.040 406 HB3 SER 55 2HB SER 55 4.584 4.144 -11.360 407 HG SER 55 HG SER 55 6.692 5.129 -9.895 408 H TYR 56 H TYR 56 3.397 2.744 -7.588 409 HA TYR 56 HA TYR 56 1.572 1.121 -9.258 410 HB2 TYR 56 1HB TYR 56 3.121 0.515 -6.713 411 HB3 TYR 56 2HB TYR 56 1.908 -0.586 -7.359 412 HD1 TYR 56 HD1 TYR 56 5.162 1.059 -8.151 413 HD2 TYR 56 HD2 TYR 56 2.446 -2.077 -9.181 414 HE1 TYR 56 HE1 TYR 56 6.861 0.066 -9.632 415 HE2 TYR 56 HE2 TYR 56 4.150 -3.073 -10.646 416 HH TYR 56 HH TYR 56 7.370 -2.276 -10.536 417 H VAL 57 H VAL 57 1.503 3.247 -6.513 418 HA VAL 57 HA VAL 57 -1.201 2.307 -5.742 419 HB VAL 57 HB VAL 57 -0.700 3.213 -3.435 420 HG11 VAL 57 1HG1 VAL 57 1.156 0.983 -4.377 421 HG12 VAL 57 2HG1 VAL 57 -0.520 0.785 -3.857 422 HG13 VAL 57 3HG1 VAL 57 0.708 1.295 -2.697 423 HG21 VAL 57 3HG2 VAL 57 1.675 3.634 -2.771 424 HG22 VAL 57 1HG2 VAL 57 1.139 4.785 -4.001 425 HG23 VAL 57 2HG2 VAL 57 2.176 3.432 -4.449 426 H GLN 58 H GLN 58 -2.729 3.866 -5.179 427 HA GLN 58 HA GLN 58 -2.532 6.445 -6.462 428 HB2 GLN 58 1HB GLN 58 -4.625 5.178 -6.584 429 HB3 GLN 58 2HB GLN 58 -4.742 5.122 -4.830 430 HG2 GLN 58 1HG GLN 58 -5.122 7.524 -4.736 431 HG3 GLN 58 2HG GLN 58 -4.892 7.669 -6.481 432 HE21 GLN 58 2HE2 GLN 58 -6.558 6.975 -7.869 433 HE22 GLN 58 1HE2 GLN 58 -8.149 6.619 -7.295 434 H LEU 59 H LEU 59 -1.235 7.858 -5.388 435 HA LEU 59 HA LEU 59 -0.946 8.041 -2.559 436 HB2 LEU 59 1HB LEU 59 -0.353 10.220 -4.602 437 HB3 LEU 59 2HB LEU 59 0.336 10.060 -2.991 438 HG LEU 59 HG LEU 59 0.879 8.256 -5.387 439 HD11 LEU 59 1HD1 LEU 59 2.028 10.405 -5.520 440 HD12 LEU 59 2HD1 LEU 59 3.178 9.102 -5.234 441 HD13 LEU 59 3HD1 LEU 59 2.708 10.171 -3.910 442 HD21 LEU 59 3HD2 LEU 59 2.507 7.057 -3.952 443 HD22 LEU 59 1HD2 LEU 59 0.850 6.857 -3.385 444 HD23 LEU 59 2HD2 LEU 59 1.940 7.966 -2.549 445 H LEU 60 H LEU 60 -2.487 8.763 -1.204 446 HA LEU 60 HA LEU 60 -4.756 10.326 -2.185 447 HB2 LEU 60 1HB LEU 60 -4.247 9.075 0.550 448 HB3 LEU 60 2HB LEU 60 -5.745 9.852 0.051 449 HG LEU 60 HG LEU 60 -4.581 7.275 -1.092 450 HD11 LEU 60 1HD1 LEU 60 -6.579 6.183 -0.165 451 HD12 LEU 60 2HD1 LEU 60 -7.101 7.716 0.540 452 HD13 LEU 60 3HD1 LEU 60 -5.613 6.946 1.098 453 HD21 LEU 60 3HD2 LEU 60 -5.635 8.509 -2.910 454 HD22 LEU 60 1HD2 LEU 60 -7.098 8.750 -1.952 455 HD23 LEU 60 2HD2 LEU 60 -6.634 7.127 -2.474 Start of MODEL 16 1 H1 MET 1 1H MET 1 0.740 8.481 16.126 2 H2 MET 1 2H MET 1 0.591 10.164 16.182 3 H3 MET 1 3H MET 1 1.892 9.404 16.950 4 HA MET 1 HA MET 1 2.547 10.459 14.881 5 HB2 MET 1 1HB MET 1 2.650 7.408 14.858 6 HB3 MET 1 2HB MET 1 3.663 8.448 13.860 7 HG2 MET 1 1HG MET 1 4.721 9.377 15.853 8 HG3 MET 1 2HG MET 1 3.670 8.414 16.891 9 HE1 MET 1 3HE MET 1 4.955 4.757 16.148 10 HE2 MET 1 1HE MET 1 3.619 5.575 15.337 11 HE3 MET 1 2HE MET 1 3.825 5.734 17.084 12 H SER 2 H SER 2 2.285 10.710 12.652 13 HA SER 2 HA SER 2 -0.424 10.256 11.684 14 HB2 SER 2 1HB SER 2 0.286 11.788 9.824 15 HB3 SER 2 2HB SER 2 0.558 12.490 11.423 16 HG SER 2 HG SER 2 2.363 11.752 9.471 17 H GLY 3 H GLY 3 -1.007 9.028 9.920 18 HA2 GLY 3 1HA GLY 3 1.051 7.320 8.609 19 HA3 GLY 3 2HA GLY 3 -0.589 6.795 8.968 20 H ALA 4 H ALA 4 1.310 7.777 6.507 21 HA ALA 4 HA ALA 4 -0.431 9.577 5.085 22 HB1 ALA 4 3HB ALA 4 2.044 8.082 4.133 23 HB2 ALA 4 1HB ALA 4 2.013 9.719 4.796 24 HB3 ALA 4 2HB ALA 4 1.220 9.375 3.258 25 H ARG 5 H ARG 5 -2.318 8.782 4.337 26 HA ARG 5 HA ARG 5 -2.733 5.979 3.766 27 HB2 ARG 5 1HB ARG 5 -4.562 8.384 3.424 28 HB3 ARG 5 2HB ARG 5 -5.058 6.708 3.176 29 HG2 ARG 5 1HG ARG 5 -4.569 6.257 5.580 30 HG3 ARG 5 2HG ARG 5 -4.179 7.972 5.793 31 HD2 ARG 5 1HD ARG 5 -6.492 8.550 5.027 32 HD3 ARG 5 2HD ARG 5 -6.861 6.822 4.919 33 HE ARG 5 HE ARG 5 -5.920 7.387 7.512 34 HH11 ARG 5 1HH1 ARG 5 -8.758 8.066 5.539 35 HH12 ARG 5 2HH1 ARG 5 -9.821 8.168 6.902 36 HH21 ARG 5 1HH2 ARG 5 -7.312 7.559 9.268 37 HH22 ARG 5 2HH2 ARG 5 -8.992 7.890 9.024 38 H CYS 6 H CYS 6 -2.989 5.039 1.807 39 HA CYS 6 HA CYS 6 -3.110 6.628 -0.665 40 HB2 CYS 6 1HB CYS 6 -1.194 4.293 -0.203 41 HB3 CYS 6 2HB CYS 6 -1.469 5.086 -1.757 42 HG CYS 6 HG CYS 6 -0.137 6.556 1.023 43 H ARG 7 H ARG 7 -3.941 5.407 -2.435 44 HA ARG 7 HA ARG 7 -5.800 3.232 -1.719 45 HB2 ARG 7 1HB ARG 7 -5.809 5.299 -3.963 46 HB3 ARG 7 2HB ARG 7 -6.893 3.913 -3.951 47 HG2 ARG 7 1HG ARG 7 -6.807 6.056 -1.800 48 HG3 ARG 7 2HG ARG 7 -7.933 6.023 -3.161 49 HD2 ARG 7 1HD ARG 7 -8.699 3.744 -2.335 50 HD3 ARG 7 2HD ARG 7 -7.734 4.035 -0.881 51 HE ARG 7 HE ARG 7 -9.198 6.204 -0.811 52 HH11 ARG 7 1HH1 ARG 7 -10.331 2.961 -1.628 53 HH12 ARG 7 2HH1 ARG 7 -11.952 3.285 -1.110 54 HH21 ARG 7 1HH2 ARG 7 -11.304 6.598 -0.176 55 HH22 ARG 7 2HH2 ARG 7 -12.506 5.359 -0.302 56 H THR 8 H THR 8 -5.812 1.408 -2.957 57 HA THR 8 HA THR 8 -3.478 0.824 -4.642 58 HB THR 8 HB THR 8 -4.454 -1.554 -4.444 59 HG1 THR 8 HG1 THR 8 -5.952 -1.597 -2.494 60 HG21 THR 8 3HG2 THR 8 -2.609 -0.805 -2.965 61 HG22 THR 8 1HG2 THR 8 -3.724 -1.863 -2.101 62 HG23 THR 8 2HG2 THR 8 -3.786 -0.118 -1.838 63 H LEU 9 H LEU 9 -3.683 1.081 -6.809 64 HA LEU 9 HA LEU 9 -6.152 1.753 -8.077 65 HB2 LEU 9 1HB LEU 9 -3.394 1.145 -9.213 66 HB3 LEU 9 2HB LEU 9 -4.752 1.643 -10.218 67 HG LEU 9 HG LEU 9 -3.485 3.319 -8.004 68 HD11 LEU 9 1HD1 LEU 9 -2.013 3.131 -9.949 69 HD12 LEU 9 2HD1 LEU 9 -2.669 4.761 -9.821 70 HD13 LEU 9 3HD1 LEU 9 -3.320 3.641 -11.025 71 HD21 LEU 9 3HD2 LEU 9 -5.734 4.011 -9.929 72 HD22 LEU 9 1HD2 LEU 9 -4.951 5.131 -8.807 73 HD23 LEU 9 2HD2 LEU 9 -5.877 3.769 -8.184 74 H TYR 10 H TYR 10 -4.007 -1.098 -8.301 75 HA TYR 10 HA TYR 10 -6.267 -2.758 -9.239 76 HB2 TYR 10 1HB TYR 10 -3.504 -2.624 -10.552 77 HB3 TYR 10 2HB TYR 10 -4.675 -3.897 -10.876 78 HD1 TYR 10 HD1 TYR 10 -6.863 -3.333 -12.002 79 HD2 TYR 10 HD2 TYR 10 -3.743 -0.436 -11.606 80 HE1 TYR 10 HE1 TYR 10 -7.959 -1.924 -13.691 81 HE2 TYR 10 HE2 TYR 10 -4.838 0.971 -13.301 82 HH TYR 10 HH TYR 10 -8.037 0.371 -14.412 83 HA PRO 11 HA PRO 11 -4.697 -5.512 -6.098 84 HB2 PRO 11 1HB PRO 11 -5.917 -7.855 -7.410 85 HB3 PRO 11 2HB PRO 11 -6.443 -7.002 -5.954 86 HG2 PRO 11 1HG PRO 11 -7.844 -6.936 -8.294 87 HG3 PRO 11 2HG PRO 11 -7.859 -5.597 -7.125 88 HD2 PRO 11 1HD PRO 11 -6.239 -5.880 -9.665 89 HD3 PRO 11 2HD PRO 11 -7.147 -4.475 -9.055 90 H PHE 12 H PHE 12 -2.603 -6.173 -5.954 91 HA PHE 12 HA PHE 12 -1.545 -8.032 -8.002 92 HB2 PHE 12 1HB PHE 12 -0.567 -5.756 -8.361 93 HB3 PHE 12 2HB PHE 12 0.069 -5.779 -6.722 94 HD1 PHE 12 HD2 PHE 12 0.207 -7.645 -9.966 95 HD2 PHE 12 HD1 PHE 12 2.226 -6.707 -6.315 96 HE1 PHE 12 HE2 PHE 12 2.214 -8.813 -10.774 97 HE2 PHE 12 HE1 PHE 12 4.230 -7.878 -7.129 98 HZ PHE 12 HZ PHE 12 4.224 -8.938 -9.355 99 H SER 13 H SER 13 -1.698 -9.840 -6.887 100 HA SER 13 HA SER 13 0.221 -10.355 -4.778 101 HB2 SER 13 1HB SER 13 -2.754 -10.949 -4.385 102 HB3 SER 13 2HB SER 13 -1.452 -11.507 -3.328 103 HG SER 13 HG SER 13 -1.032 -8.986 -3.446 104 H GLY 14 H GLY 14 -0.086 -10.982 -7.584 105 HA2 GLY 14 1HA GLY 14 -1.201 -13.457 -8.255 106 HA3 GLY 14 2HA GLY 14 0.127 -12.686 -9.098 107 H GLU 15 H GLU 15 -0.771 -14.953 -6.618 108 HA GLU 15 HA GLU 15 0.196 -16.674 -5.537 109 HB2 GLU 15 1HB GLU 15 0.483 -17.404 -7.977 110 HB3 GLU 15 2HB GLU 15 2.145 -16.821 -7.890 111 HG2 GLU 15 1HG GLU 15 2.641 -18.453 -6.112 112 HG3 GLU 15 2HG GLU 15 0.968 -19.003 -6.128 113 H ARG 16 H ARG 16 0.879 -14.342 -4.484 114 HA ARG 16 HA ARG 16 3.780 -14.332 -3.932 115 HB2 ARG 16 1HB ARG 16 1.640 -12.302 -3.137 116 HB3 ARG 16 2HB ARG 16 3.371 -12.141 -2.856 117 HG2 ARG 16 1HG ARG 16 1.979 -12.181 -5.557 118 HG3 ARG 16 2HG ARG 16 2.660 -10.767 -4.748 119 HD2 ARG 16 1HD ARG 16 4.199 -13.168 -5.804 120 HD3 ARG 16 2HD ARG 16 4.168 -11.552 -6.516 121 HE ARG 16 HE ARG 16 5.124 -10.891 -4.191 122 HH11 ARG 16 1HH1 ARG 16 5.985 -13.801 -5.961 123 HH12 ARG 16 2HH1 ARG 16 7.562 -13.903 -5.250 124 HH21 ARG 16 1HH2 ARG 16 7.184 -11.058 -3.258 125 HH22 ARG 16 2HH2 ARG 16 8.228 -12.367 -3.708 126 H HIS 17 H HIS 17 3.623 -16.333 -2.747 127 HA HIS 17 HA HIS 17 2.307 -16.329 -0.117 128 HB2 HIS 17 1HB HIS 17 3.952 -18.485 -1.530 129 HB3 HIS 17 2HB HIS 17 3.168 -18.684 0.035 130 HD2 HIS 17 HD2 HIS 17 0.307 -18.742 -0.055 131 HE1 HIS 17 HE1 HIS 17 0.233 -19.535 -4.209 132 HE2 HIS 17 HE2 HIS 17 -1.041 -19.730 -2.031 133 H GLY 18 H GLY 18 5.362 -15.623 -1.504 134 HA2 GLY 18 1HA GLY 18 7.046 -16.120 0.794 135 HA3 GLY 18 2HA GLY 18 7.479 -15.256 -0.674 136 H GLN 19 H GLN 19 8.613 -13.853 0.913 137 HA GLN 19 HA GLN 19 7.104 -12.217 2.731 138 HB2 GLN 19 1HB GLN 19 10.008 -12.269 1.886 139 HB3 GLN 19 2HB GLN 19 9.393 -10.921 2.834 140 HG2 GLN 19 1HG GLN 19 10.468 -12.585 4.264 141 HG3 GLN 19 2HG GLN 19 8.756 -12.445 4.645 142 HE21 GLN 19 2HE2 GLN 19 7.372 -14.203 4.194 143 HE22 GLN 19 1HE2 GLN 19 7.979 -15.782 3.836 144 H GLY 20 H GLY 20 5.545 -11.333 1.446 145 HA2 GLY 20 1HA GLY 20 6.131 -8.733 0.356 146 HA3 GLY 20 2HA GLY 20 5.575 -9.895 -0.853 147 H LEU 21 H LEU 21 4.244 -7.469 0.295 148 HA LEU 21 HA LEU 21 2.127 -8.527 2.010 149 HB2 LEU 21 1HB LEU 21 3.293 -6.419 2.609 150 HB3 LEU 21 2HB LEU 21 2.717 -5.679 1.124 151 HG LEU 21 HG LEU 21 0.404 -5.755 1.911 152 HD11 LEU 21 1HD1 LEU 21 -0.193 -6.550 4.166 153 HD12 LEU 21 2HD1 LEU 21 1.448 -7.145 4.401 154 HD13 LEU 21 3HD1 LEU 21 0.419 -7.857 3.157 155 HD21 LEU 21 3HD2 LEU 21 0.564 -4.169 3.765 156 HD22 LEU 21 1HD2 LEU 21 1.794 -3.827 2.552 157 HD23 LEU 21 2HD2 LEU 21 2.237 -4.637 4.055 158 H ARG 22 H ARG 22 -0.043 -8.485 1.508 159 HA ARG 22 HA ARG 22 -0.711 -8.538 -1.353 160 HB2 ARG 22 1HB ARG 22 -2.079 -9.808 1.055 161 HB3 ARG 22 2HB ARG 22 -2.663 -9.935 -0.608 162 HG2 ARG 22 1HG ARG 22 -0.591 -11.105 -1.257 163 HG3 ARG 22 2HG ARG 22 0.020 -10.961 0.394 164 HD2 ARG 22 1HD ARG 22 -1.817 -12.362 1.215 165 HD3 ARG 22 2HD ARG 22 -2.493 -12.468 -0.415 166 HE ARG 22 HE ARG 22 -0.110 -13.472 -0.893 167 HH11 ARG 22 1HH1 ARG 22 -2.079 -14.105 1.949 168 HH12 ARG 22 2HH1 ARG 22 -1.527 -15.736 2.111 169 HH21 ARG 22 1HH2 ARG 22 0.576 -15.621 -0.680 170 HH22 ARG 22 2HH2 ARG 22 -0.028 -16.598 0.624 171 H PHE 23 H PHE 23 -2.382 -7.377 -2.189 172 HA PHE 23 HA PHE 23 -4.074 -5.666 -0.585 173 HB2 PHE 23 1HB PHE 23 -3.260 -3.546 -1.669 174 HB3 PHE 23 2HB PHE 23 -2.084 -4.281 -0.590 175 HD1 PHE 23 HD2 PHE 23 -0.106 -5.559 -1.606 176 HD2 PHE 23 HD1 PHE 23 -2.705 -3.130 -3.977 177 HE1 PHE 23 HE2 PHE 23 1.608 -5.440 -3.372 178 HE2 PHE 23 HE1 PHE 23 -0.991 -3.022 -5.733 179 HZ PHE 23 HZ PHE 23 1.166 -4.166 -5.430 180 H ALA 24 H ALA 24 -5.966 -5.778 -1.497 181 HA ALA 24 HA ALA 24 -6.406 -6.180 -4.362 182 HB1 ALA 24 3HB ALA 24 -8.377 -6.009 -2.045 183 HB2 ALA 24 1HB ALA 24 -7.741 -7.496 -2.757 184 HB3 ALA 24 2HB ALA 24 -8.780 -6.437 -3.713 185 H ALA 25 H ALA 25 -7.763 -4.688 -5.571 186 HA ALA 25 HA ALA 25 -6.961 -1.993 -5.365 187 HB1 ALA 25 3HB ALA 25 -7.532 -3.080 -7.504 188 HB2 ALA 25 1HB ALA 25 -8.453 -1.593 -7.275 189 HB3 ALA 25 2HB ALA 25 -9.224 -3.162 -7.019 190 H GLY 26 H GLY 26 -7.743 -0.370 -4.164 191 HA2 GLY 26 1HA GLY 26 -9.639 1.091 -3.699 192 HA3 GLY 26 2HA GLY 26 -10.597 -0.330 -3.314 193 H GLU 27 H GLU 27 -8.014 -1.369 -1.925 194 HA GLU 27 HA GLU 27 -8.829 -0.594 0.709 195 HB2 GLU 27 1HB GLU 27 -6.416 -2.248 -0.169 196 HB3 GLU 27 2HB GLU 27 -7.002 -2.088 1.489 197 HG2 GLU 27 1HG GLU 27 -9.159 -3.113 0.790 198 HG3 GLU 27 2HG GLU 27 -8.496 -3.350 -0.828 199 H LEU 28 H LEU 28 -7.831 0.594 2.234 200 HA LEU 28 HA LEU 28 -6.027 2.706 1.397 201 HB2 LEU 28 1HB LEU 28 -7.640 2.169 3.909 202 HB3 LEU 28 2HB LEU 28 -6.377 3.381 3.923 203 HG LEU 28 HG LEU 28 -8.514 4.451 3.616 204 HD11 LEU 28 1HD1 LEU 28 -6.926 4.528 1.041 205 HD12 LEU 28 2HD1 LEU 28 -6.607 5.463 2.505 206 HD13 LEU 28 3HD1 LEU 28 -8.085 5.744 1.590 207 HD21 LEU 28 3HD2 LEU 28 -9.782 2.594 2.661 208 HD22 LEU 28 1HD2 LEU 28 -8.913 2.759 1.134 209 HD23 LEU 28 2HD2 LEU 28 -9.973 4.056 1.697 210 H ILE 29 H ILE 29 -3.916 2.238 1.351 211 HA ILE 29 HA ILE 29 -2.637 0.502 3.334 212 HB ILE 29 HB ILE 29 -1.481 1.944 0.899 213 HG12 ILE 29 1HG1 ILE 29 -3.040 0.164 0.228 214 HG13 ILE 29 2HG1 ILE 29 -1.392 -0.332 -0.135 215 HG21 ILE 29 1HG2 ILE 29 0.260 1.646 2.589 216 HG22 ILE 29 2HG2 ILE 29 0.542 0.549 1.238 217 HG23 ILE 29 3HG2 ILE 29 -0.137 -0.070 2.746 218 HD11 ILE 29 3HD1 ILE 29 -2.687 -2.178 0.724 219 HD12 ILE 29 1HD1 ILE 29 -3.068 -1.278 2.193 220 HD13 ILE 29 2HD1 ILE 29 -1.404 -1.770 1.862 221 H THR 30 H THR 30 -1.886 1.346 5.176 222 HA THR 30 HA THR 30 -1.457 4.206 5.531 223 HB THR 30 HB THR 30 -1.004 1.929 7.523 224 HG1 THR 30 HG1 THR 30 -3.105 1.785 7.494 225 HG21 THR 30 3HG2 THR 30 0.105 4.049 8.179 226 HG22 THR 30 1HG2 THR 30 -1.244 3.669 9.261 227 HG23 THR 30 2HG2 THR 30 -1.428 4.907 8.018 228 H LEU 31 H LEU 31 0.403 4.827 4.471 229 HA LEU 31 HA LEU 31 2.878 3.392 4.552 230 HB2 LEU 31 1HB LEU 31 2.393 6.331 3.914 231 HB3 LEU 31 2HB LEU 31 3.907 5.473 3.655 232 HG LEU 31 HG LEU 31 1.275 4.947 2.192 233 HD11 LEU 31 1HD1 LEU 31 2.420 5.847 0.218 234 HD12 LEU 31 2HD1 LEU 31 3.852 6.209 1.184 235 HD13 LEU 31 3HD1 LEU 31 2.328 7.046 1.509 236 HD21 LEU 31 3HD2 LEU 31 2.556 3.382 0.765 237 HD22 LEU 31 1HD2 LEU 31 2.517 2.844 2.444 238 HD23 LEU 31 2HD2 LEU 31 3.978 3.590 1.792 239 H LEU 32 H LEU 32 3.811 3.025 6.404 240 HA LEU 32 HA LEU 32 3.544 4.615 8.782 241 HB2 LEU 32 1HB LEU 32 5.399 2.284 8.137 242 HB3 LEU 32 2HB LEU 32 5.083 2.914 9.752 243 HG LEU 32 HG LEU 32 2.983 1.614 7.959 244 HD11 LEU 32 1HD1 LEU 32 4.624 -0.049 8.575 245 HD12 LEU 32 2HD1 LEU 32 3.144 -0.324 9.488 246 HD13 LEU 32 3HD1 LEU 32 4.538 0.417 10.279 247 HD21 LEU 32 3HD2 LEU 32 2.824 2.446 10.881 248 HD22 LEU 32 1HD2 LEU 32 1.577 1.569 9.986 249 HD23 LEU 32 2HD2 LEU 32 1.996 3.216 9.524 250 H GLN 33 H GLN 33 6.162 3.843 6.493 251 HA GLN 33 HA GLN 33 7.711 6.185 7.431 252 HB2 GLN 33 1HB GLN 33 8.812 3.441 6.660 253 HB3 GLN 33 2HB GLN 33 9.794 4.866 7.013 254 HG2 GLN 33 1HG GLN 33 8.887 4.899 9.324 255 HG3 GLN 33 2HG GLN 33 7.936 3.460 8.959 256 HE21 GLN 33 2HE2 GLN 33 8.918 2.292 10.611 257 HE22 GLN 33 1HE2 GLN 33 10.540 1.709 10.498 258 H VAL 34 H VAL 34 8.471 7.474 5.893 259 HA VAL 34 HA VAL 34 8.238 6.697 3.047 260 HB VAL 34 HB VAL 34 8.036 9.215 2.592 261 HG11 VAL 34 1HG1 VAL 34 5.772 7.913 4.162 262 HG12 VAL 34 2HG1 VAL 34 6.089 7.720 2.436 263 HG13 VAL 34 3HG1 VAL 34 5.601 9.293 3.070 264 HG21 VAL 34 3HG2 VAL 34 7.220 10.694 4.413 265 HG22 VAL 34 1HG2 VAL 34 8.844 10.097 4.768 266 HG23 VAL 34 2HG2 VAL 34 7.447 9.393 5.584 267 HA PRO 35 HA PRO 35 12.802 6.801 3.901 268 HB2 PRO 35 1HB PRO 35 12.781 5.575 1.150 269 HB3 PRO 35 2HB PRO 35 13.650 5.058 2.602 270 HG2 PRO 35 1HG PRO 35 11.483 3.726 1.791 271 HG3 PRO 35 2HG PRO 35 11.755 4.015 3.524 272 HD2 PRO 35 1HD PRO 35 9.887 5.435 1.634 273 HD3 PRO 35 2HD PRO 35 9.622 4.927 3.317 274 H ASP 36 H ASP 36 11.461 7.492 0.669 275 HA ASP 36 HA ASP 36 12.395 10.204 0.609 276 HB2 ASP 36 1HB ASP 36 14.541 9.119 0.059 277 HB3 ASP 36 2HB ASP 36 13.775 8.164 -1.204 278 H GLY 37 H GLY 37 11.948 7.824 -2.017 279 HA2 GLY 37 1HA GLY 37 9.334 8.795 -2.762 280 HA3 GLY 37 2HA GLY 37 10.625 9.375 -3.815 281 H GLY 38 H GLY 38 8.370 7.542 -4.377 282 HA2 GLY 38 1HA GLY 38 8.239 5.929 -6.056 283 HA3 GLY 38 2HA GLY 38 9.906 5.469 -5.763 284 H TRP 39 H TRP 39 10.086 4.697 -3.248 285 HA TRP 39 HA TRP 39 8.132 2.464 -3.009 286 HB2 TRP 39 1HB TRP 39 11.110 2.275 -2.363 287 HB3 TRP 39 2HB TRP 39 9.941 0.959 -2.453 288 HD1 TRP 39 HD1 TRP 39 12.301 2.998 -4.605 289 HE1 TRP 39 HE1 TRP 39 12.250 2.109 -7.015 290 HE3 TRP 39 HE3 TRP 39 8.274 -0.146 -4.240 291 HZ2 TRP 39 HZ2 TRP 39 10.724 0.319 -8.563 292 HZ3 TRP 39 HZ3 TRP 39 7.586 -1.411 -6.237 293 HH2 TRP 39 HH2 TRP 39 8.785 -1.184 -8.354 294 H TRP 40 H TRP 40 6.936 3.185 -1.295 295 HA TRP 40 HA TRP 40 8.349 3.990 1.186 296 HB2 TRP 40 1HB TRP 40 5.464 4.625 0.414 297 HB3 TRP 40 2HB TRP 40 6.336 5.219 1.825 298 HD1 TRP 40 HD1 TRP 40 8.646 6.786 1.081 299 HE1 TRP 40 HE1 TRP 40 8.694 8.661 -0.668 300 HE3 TRP 40 HE3 TRP 40 4.568 5.423 -1.656 301 HZ2 TRP 40 HZ2 TRP 40 7.223 9.448 -2.933 302 HZ3 TRP 40 HZ3 TRP 40 3.958 6.782 -3.611 303 HH2 TRP 40 HH2 TRP 40 5.256 8.757 -4.238 304 H GLU 41 H GLU 41 7.655 3.081 3.151 305 HA GLU 41 HA GLU 41 6.689 0.341 2.854 306 HB2 GLU 41 1HB GLU 41 7.942 1.804 5.215 307 HB3 GLU 41 2HB GLU 41 7.485 0.099 5.223 308 HG2 GLU 41 1HG GLU 41 9.117 -0.320 3.396 309 HG3 GLU 41 2HG GLU 41 9.596 1.381 3.449 310 H GLY 42 H GLY 42 4.658 -0.047 3.117 311 HA2 GLY 42 1HA GLY 42 3.036 1.356 5.151 312 HA3 GLY 42 2HA GLY 42 2.426 1.000 3.535 313 H GLU 43 H GLU 43 1.509 0.080 6.193 314 HA GLU 43 HA GLU 43 1.941 -2.830 5.975 315 HB2 GLU 43 1HB GLU 43 1.112 -3.003 8.283 316 HB3 GLU 43 2HB GLU 43 2.476 -1.905 8.193 317 HG2 GLU 43 1HG GLU 43 1.015 -0.852 9.692 318 HG3 GLU 43 2HG GLU 43 0.742 0.001 8.174 319 H LYS 44 H LYS 44 0.169 -4.197 6.232 320 HA LYS 44 HA LYS 44 -2.549 -3.133 5.834 321 HB2 LYS 44 1HB LYS 44 -1.280 -4.210 3.740 322 HB3 LYS 44 2HB LYS 44 -1.679 -5.727 4.524 323 HG2 LYS 44 1HG LYS 44 -3.727 -3.646 3.684 324 HG3 LYS 44 2HG LYS 44 -3.202 -4.997 2.669 325 HD2 LYS 44 1HD LYS 44 -3.958 -6.522 4.621 326 HD3 LYS 44 2HD LYS 44 -4.769 -5.089 5.267 327 HE2 LYS 44 1HE LYS 44 -6.315 -6.470 3.951 328 HE3 LYS 44 2HE LYS 44 -6.077 -4.898 3.180 329 HZ1 LYS 44 3HZ LYS 44 -4.778 -7.458 2.405 330 HZ2 LYS 44 1HZ LYS 44 -4.444 -5.956 1.706 331 HZ3 LYS 44 2HZ LYS 44 -5.982 -6.630 1.542 332 H GLU 45 H GLU 45 -4.146 -4.567 6.815 333 HA GLU 45 HA GLU 45 -3.399 -5.684 9.295 334 HB2 GLU 45 1HB GLU 45 -5.796 -6.324 9.499 335 HB3 GLU 45 2HB GLU 45 -5.566 -4.648 9.016 336 HG2 GLU 45 1HG GLU 45 -6.194 -5.137 6.732 337 HG3 GLU 45 2HG GLU 45 -6.221 -6.872 7.051 338 H ASP 46 H ASP 46 -2.830 -7.149 6.400 339 HA ASP 46 HA ASP 46 -3.350 -9.889 6.948 340 HB2 ASP 46 1HB ASP 46 -1.204 -8.577 5.220 341 HB3 ASP 46 2HB ASP 46 -1.471 -10.313 5.280 342 H GLY 47 H GLY 47 -1.162 -7.667 8.389 343 HA2 GLY 47 1HA GLY 47 0.030 -8.156 10.388 344 HA3 GLY 47 2HA GLY 47 0.148 -9.841 9.902 345 H LEU 48 H LEU 48 0.898 -8.622 7.113 346 HA LEU 48 HA LEU 48 3.788 -8.382 7.599 347 HB2 LEU 48 1HB LEU 48 2.244 -8.732 4.991 348 HB3 LEU 48 2HB LEU 48 3.997 -8.706 5.134 349 HG LEU 48 HG LEU 48 2.152 -10.845 6.289 350 HD11 LEU 48 1HD1 LEU 48 3.104 -12.337 4.578 351 HD12 LEU 48 2HD1 LEU 48 4.028 -10.995 3.898 352 HD13 LEU 48 3HD1 LEU 48 2.263 -10.970 3.846 353 HD21 LEU 48 3HD2 LEU 48 4.122 -10.579 7.704 354 HD22 LEU 48 1HD2 LEU 48 5.191 -10.714 6.305 355 HD23 LEU 48 2HD2 LEU 48 4.216 -12.098 6.817 356 H ARG 49 H ARG 49 4.968 -6.749 6.442 357 HA ARG 49 HA ARG 49 3.495 -4.327 5.596 358 HB2 ARG 49 1HB ARG 49 4.908 -4.030 7.686 359 HB3 ARG 49 2HB ARG 49 6.327 -4.481 6.747 360 HG2 ARG 49 1HG ARG 49 5.890 -2.484 5.267 361 HG3 ARG 49 2HG ARG 49 4.588 -2.013 6.360 362 HD2 ARG 49 1HD ARG 49 6.526 -0.721 6.926 363 HD3 ARG 49 2HD ARG 49 6.307 -1.904 8.218 364 HE ARG 49 HE ARG 49 8.400 -1.920 6.128 365 HH11 ARG 49 1HH1 ARG 49 7.185 -3.303 9.124 366 HH12 ARG 49 2HH1 ARG 49 8.679 -4.099 9.497 367 HH21 ARG 49 1HH2 ARG 49 10.349 -2.954 6.625 368 HH22 ARG 49 2HH2 ARG 49 10.472 -3.912 8.068 369 H GLY 50 H GLY 50 4.448 -3.253 3.727 370 HA2 GLY 50 1HA GLY 50 6.570 -4.645 2.250 371 HA3 GLY 50 2HA GLY 50 4.986 -4.548 1.478 372 H TRP 51 H TRP 51 7.371 -3.453 0.471 373 HA TRP 51 HA TRP 51 7.024 -0.549 0.572 374 HB2 TRP 51 1HB TRP 51 8.877 -0.741 -1.327 375 HB3 TRP 51 2HB TRP 51 9.319 -0.989 0.355 376 HD1 TRP 51 HD1 TRP 51 10.084 -3.446 1.089 377 HE1 TRP 51 HE1 TRP 51 10.796 -5.526 -0.243 378 HE3 TRP 51 HE3 TRP 51 8.400 -2.087 -3.565 379 HZ2 TRP 51 HZ2 TRP 51 10.662 -6.480 -2.882 380 HZ3 TRP 51 HZ3 TRP 51 8.728 -3.653 -5.441 381 HH2 TRP 51 HH2 TRP 51 9.837 -5.806 -5.098 382 H PHE 52 H PHE 52 5.889 0.573 -0.917 383 HA PHE 52 HA PHE 52 4.366 -0.977 -2.920 384 HB2 PHE 52 1HB PHE 52 3.588 1.435 -1.236 385 HB3 PHE 52 2HB PHE 52 2.662 0.972 -2.662 386 HD1 PHE 52 HD2 PHE 52 3.782 -0.205 0.693 387 HD2 PHE 52 HD1 PHE 52 1.128 -0.863 -2.593 388 HE1 PHE 52 HE2 PHE 52 2.582 -1.909 1.991 389 HE2 PHE 52 HE1 PHE 52 -0.064 -2.564 -1.282 390 HZ PHE 52 HZ PHE 52 0.665 -3.094 1.005 391 HA PRO 53 HA PRO 53 6.270 1.585 -6.086 392 HB2 PRO 53 1HB PRO 53 4.192 0.652 -7.969 393 HB3 PRO 53 2HB PRO 53 5.914 0.270 -7.941 394 HG2 PRO 53 1HG PRO 53 4.000 -1.571 -7.340 395 HG3 PRO 53 2HG PRO 53 5.617 -1.602 -6.602 396 HD2 PRO 53 1HD PRO 53 3.032 -0.527 -5.462 397 HD3 PRO 53 2HD PRO 53 4.275 -1.538 -4.684 398 H ALA 54 H ALA 54 5.996 3.703 -6.395 399 HA ALA 54 HA ALA 54 3.888 5.174 -5.312 400 HB1 ALA 54 3HB ALA 54 5.992 6.107 -7.296 401 HB2 ALA 54 1HB ALA 54 6.173 6.034 -5.541 402 HB3 ALA 54 2HB ALA 54 5.011 7.152 -6.258 403 H SER 55 H SER 55 4.595 4.471 -8.728 404 HA SER 55 HA SER 55 2.469 6.119 -9.772 405 HB2 SER 55 1HB SER 55 4.612 5.676 -11.016 406 HB3 SER 55 2HB SER 55 4.132 3.992 -11.212 407 HG SER 55 HG SER 55 2.199 4.895 -12.294 408 H TYR 56 H TYR 56 2.753 2.817 -8.697 409 HA TYR 56 HA TYR 56 0.443 1.809 -10.176 410 HB2 TYR 56 1HB TYR 56 2.487 0.411 -9.788 411 HB3 TYR 56 2HB TYR 56 2.169 0.435 -8.057 412 HD1 TYR 56 HD2 TYR 56 0.472 -0.473 -11.292 413 HD2 TYR 56 HD1 TYR 56 0.961 -1.393 -7.147 414 HE1 TYR 56 HE2 TYR 56 -0.955 -2.452 -11.564 415 HE2 TYR 56 HE1 TYR 56 -0.470 -3.371 -7.423 416 HH TYR 56 HH TYR 56 -2.187 -4.208 -8.891 417 H VAL 57 H VAL 57 1.093 3.263 -7.090 418 HA VAL 57 HA VAL 57 -1.652 2.631 -6.148 419 HB VAL 57 HB VAL 57 -0.968 3.318 -3.887 420 HG11 VAL 57 1HG1 VAL 57 0.548 1.440 -3.333 421 HG12 VAL 57 2HG1 VAL 57 0.961 1.261 -5.042 422 HG13 VAL 57 3HG1 VAL 57 -0.690 0.947 -4.494 423 HG21 VAL 57 3HG2 VAL 57 0.726 5.027 -4.432 424 HG22 VAL 57 1HG2 VAL 57 1.829 3.780 -5.016 425 HG23 VAL 57 2HG2 VAL 57 1.393 3.846 -3.304 426 H GLN 58 H GLN 58 -3.050 4.346 -5.622 427 HA GLN 58 HA GLN 58 -2.471 6.968 -6.780 428 HB2 GLN 58 1HB GLN 58 -4.693 5.901 -7.138 429 HB3 GLN 58 2HB GLN 58 -4.975 5.893 -5.406 430 HG2 GLN 58 1HG GLN 58 -4.839 8.410 -5.448 431 HG3 GLN 58 2HG GLN 58 -4.772 8.324 -7.207 432 HE21 GLN 58 2HE2 GLN 58 -6.640 7.602 -8.341 433 HE22 GLN 58 1HE2 GLN 58 -8.203 7.631 -7.607 434 H LEU 59 H LEU 59 -1.426 8.429 -5.544 435 HA LEU 59 HA LEU 59 -1.271 8.259 -2.673 436 HB2 LEU 59 1HB LEU 59 -0.311 10.454 -4.561 437 HB3 LEU 59 2HB LEU 59 0.132 10.292 -2.863 438 HG LEU 59 HG LEU 59 0.880 8.372 -5.111 439 HD11 LEU 59 1HD1 LEU 59 3.182 9.119 -4.704 440 HD12 LEU 59 2HD1 LEU 59 2.613 10.272 -3.495 441 HD13 LEU 59 3HD1 LEU 59 2.144 10.459 -5.188 442 HD21 LEU 59 3HD2 LEU 59 2.217 7.156 -3.432 443 HD22 LEU 59 1HD2 LEU 59 0.498 7.110 -3.046 444 HD23 LEU 59 2HD2 LEU 59 1.574 8.187 -2.153 445 H LEU 60 H LEU 60 -2.600 9.242 -1.229 446 HA LEU 60 HA LEU 60 -4.745 11.007 -2.116 447 HB2 LEU 60 1HB LEU 60 -4.066 9.909 0.643 448 HB3 LEU 60 2HB LEU 60 -5.475 10.903 0.292 449 HG LEU 60 HG LEU 60 -4.927 8.107 -0.802 450 HD11 LEU 60 1HD1 LEU 60 -5.584 8.064 1.538 451 HD12 LEU 60 2HD1 LEU 60 -6.870 7.419 0.527 452 HD13 LEU 60 3HD1 LEU 60 -7.010 9.049 1.195 453 HD21 LEU 60 3HD2 LEU 60 -6.099 9.427 -2.490 454 HD22 LEU 60 1HD2 LEU 60 -7.320 9.909 -1.306 455 HD23 LEU 60 2HD2 LEU 60 -7.179 8.219 -1.801 Start of MODEL 17 1 H1 MET 1 1H MET 1 6.327 15.091 8.982 2 H2 MET 1 2H MET 1 5.865 14.470 10.486 3 H3 MET 1 3H MET 1 4.697 15.036 9.408 4 HA MET 1 HA MET 1 5.177 13.317 7.861 5 HB2 MET 1 1HB MET 1 7.574 13.068 8.331 6 HB3 MET 1 2HB MET 1 7.231 12.455 9.943 7 HG2 MET 1 1HG MET 1 6.245 10.437 8.995 8 HG3 MET 1 2HG MET 1 6.469 11.067 7.362 9 HE1 MET 1 3HE MET 1 9.357 12.356 7.421 10 HE2 MET 1 1HE MET 1 8.814 11.262 6.148 11 HE3 MET 1 2HE MET 1 10.358 10.982 6.957 12 H SER 2 H SER 2 3.012 13.001 8.329 13 HA SER 2 HA SER 2 2.263 10.742 9.898 14 HB2 SER 2 1HB SER 2 2.464 12.427 11.753 15 HB3 SER 2 2HB SER 2 1.301 13.462 10.929 16 HG SER 2 HG SER 2 0.893 10.966 12.189 17 H GLY 3 H GLY 3 -0.130 10.385 9.794 18 HA2 GLY 3 1HA GLY 3 -2.149 10.285 8.703 19 HA3 GLY 3 2HA GLY 3 -1.817 11.864 8.005 20 H ALA 4 H ALA 4 0.361 9.151 7.610 21 HA ALA 4 HA ALA 4 0.384 9.486 4.748 22 HB1 ALA 4 3HB ALA 4 1.903 7.505 6.481 23 HB2 ALA 4 1HB ALA 4 2.465 9.113 6.015 24 HB3 ALA 4 2HB ALA 4 2.234 7.870 4.783 25 H ARG 5 H ARG 5 -1.688 8.871 4.122 26 HA ARG 5 HA ARG 5 -2.404 5.990 4.244 27 HB2 ARG 5 1HB ARG 5 -4.164 8.399 3.577 28 HB3 ARG 5 2HB ARG 5 -4.709 6.726 3.723 29 HG2 ARG 5 1HG ARG 5 -4.190 6.762 6.135 30 HG3 ARG 5 2HG ARG 5 -3.580 8.415 5.988 31 HD2 ARG 5 1HD ARG 5 -5.850 9.144 5.238 32 HD3 ARG 5 2HD ARG 5 -6.442 7.499 5.504 33 HE ARG 5 HE ARG 5 -5.395 8.120 7.919 34 HH11 ARG 5 1HH1 ARG 5 -7.652 9.884 5.874 35 HH12 ARG 5 2HH1 ARG 5 -8.443 10.652 7.211 36 HH21 ARG 5 1HH2 ARG 5 -6.437 9.155 9.660 37 HH22 ARG 5 2HH2 ARG 5 -7.748 10.247 9.351 38 H CYS 6 H CYS 6 -2.971 4.947 2.306 39 HA CYS 6 HA CYS 6 -3.236 6.356 -0.198 40 HB2 CYS 6 1HB CYS 6 -1.460 5.095 -1.388 41 HB3 CYS 6 2HB CYS 6 -0.771 6.095 -0.111 42 HG CYS 6 HG CYS 6 -1.243 3.375 1.410 43 H ARG 7 H ARG 7 -4.532 5.200 -1.598 44 HA ARG 7 HA ARG 7 -5.395 2.479 -0.774 45 HB2 ARG 7 1HB ARG 7 -7.154 4.307 -0.740 46 HB3 ARG 7 2HB ARG 7 -6.941 4.485 -2.482 47 HG2 ARG 7 1HG ARG 7 -7.543 1.985 -2.653 48 HG3 ARG 7 2HG ARG 7 -8.033 2.091 -0.961 49 HD2 ARG 7 1HD ARG 7 -9.995 2.339 -2.324 50 HD3 ARG 7 2HD ARG 7 -9.641 3.921 -1.619 51 HE ARG 7 HE ARG 7 -8.824 3.199 -4.380 52 HH11 ARG 7 1HH1 ARG 7 -10.435 5.458 -2.215 53 HH12 ARG 7 2HH1 ARG 7 -10.779 6.577 -3.491 54 HH21 ARG 7 1HH2 ARG 7 -9.261 4.694 -5.999 55 HH22 ARG 7 2HH2 ARG 7 -10.123 6.147 -5.615 56 H THR 8 H THR 8 -5.052 0.842 -2.198 57 HA THR 8 HA THR 8 -3.418 1.223 -4.477 58 HB THR 8 HB THR 8 -3.814 -1.254 -4.856 59 HG1 THR 8 HG1 THR 8 -5.092 -2.338 -3.343 60 HG21 THR 8 3HG2 THR 8 -2.714 -1.992 -2.768 61 HG22 THR 8 1HG2 THR 8 -3.102 -0.448 -2.005 62 HG23 THR 8 2HG2 THR 8 -1.982 -0.505 -3.370 63 H LEU 9 H LEU 9 -3.854 1.203 -6.622 64 HA LEU 9 HA LEU 9 -6.624 1.665 -7.509 65 HB2 LEU 9 1HB LEU 9 -3.951 2.193 -8.884 66 HB3 LEU 9 2HB LEU 9 -5.530 2.630 -9.535 67 HG LEU 9 HG LEU 9 -4.329 3.754 -6.967 68 HD11 LEU 9 1HD1 LEU 9 -3.091 4.530 -8.920 69 HD12 LEU 9 2HD1 LEU 9 -4.021 5.843 -8.205 70 HD13 LEU 9 3HD1 LEU 9 -4.585 5.071 -9.691 71 HD21 LEU 9 3HD2 LEU 9 -6.771 3.681 -6.862 72 HD22 LEU 9 1HD2 LEU 9 -6.899 4.503 -8.420 73 HD23 LEU 9 2HD2 LEU 9 -6.224 5.348 -7.022 74 H TYR 10 H TYR 10 -4.046 -0.622 -7.661 75 HA TYR 10 HA TYR 10 -5.478 -2.300 -9.633 76 HB2 TYR 10 1HB TYR 10 -2.460 -1.821 -9.497 77 HB3 TYR 10 2HB TYR 10 -3.238 -3.007 -10.539 78 HD1 TYR 10 HD1 TYR 10 -4.818 -2.175 -12.385 79 HD2 TYR 10 HD2 TYR 10 -2.257 0.473 -10.204 80 HE1 TYR 10 HE1 TYR 10 -5.085 -0.466 -14.135 81 HE2 TYR 10 HE2 TYR 10 -2.526 2.169 -11.960 82 HH TYR 10 HH TYR 10 -3.095 2.286 -14.319 83 HA PRO 11 HA PRO 11 -4.576 -5.510 -6.516 84 HB2 PRO 11 1HB PRO 11 -4.955 -7.768 -7.997 85 HB3 PRO 11 2HB PRO 11 -6.309 -6.757 -7.464 86 HG2 PRO 11 1HG PRO 11 -4.933 -6.825 -10.146 87 HG3 PRO 11 2HG PRO 11 -6.672 -6.760 -9.790 88 HD2 PRO 11 1HD PRO 11 -5.216 -4.538 -10.467 89 HD3 PRO 11 2HD PRO 11 -6.640 -4.462 -9.406 90 H PHE 12 H PHE 12 -3.003 -7.256 -6.175 91 HA PHE 12 HA PHE 12 -0.444 -6.749 -7.501 92 HB2 PHE 12 1HB PHE 12 -0.497 -6.632 -5.013 93 HB3 PHE 12 2HB PHE 12 -1.069 -8.297 -4.930 94 HD1 PHE 12 HD1 PHE 12 1.768 -6.335 -6.459 95 HD2 PHE 12 HD2 PHE 12 0.577 -9.936 -4.476 96 HE1 PHE 12 HE1 PHE 12 4.105 -7.101 -6.429 97 HE2 PHE 12 HE2 PHE 12 2.920 -10.688 -4.454 98 HZ PHE 12 HZ PHE 12 4.684 -9.273 -5.426 99 H SER 13 H SER 13 -0.402 -7.933 -9.354 100 HA SER 13 HA SER 13 -1.352 -10.601 -9.671 101 HB2 SER 13 1HB SER 13 0.010 -10.509 -11.813 102 HB3 SER 13 2HB SER 13 -1.129 -9.177 -11.628 103 HG SER 13 HG SER 13 1.679 -9.131 -11.204 104 H GLY 14 H GLY 14 -0.445 -12.377 -8.835 105 HA2 GLY 14 1HA GLY 14 2.287 -13.076 -8.975 106 HA3 GLY 14 2HA GLY 14 1.923 -12.498 -7.350 107 H GLU 15 H GLU 15 2.752 -14.896 -7.232 108 HA GLU 15 HA GLU 15 0.677 -16.918 -7.587 109 HB2 GLU 15 1HB GLU 15 3.228 -17.285 -7.925 110 HB3 GLU 15 2HB GLU 15 3.372 -17.249 -6.168 111 HG2 GLU 15 1HG GLU 15 1.823 -19.192 -6.034 112 HG3 GLU 15 2HG GLU 15 1.734 -19.227 -7.792 113 H ARG 16 H ARG 16 0.210 -18.377 -5.613 114 HA ARG 16 HA ARG 16 -1.096 -16.996 -3.570 115 HB2 ARG 16 1HB ARG 16 -0.075 -19.869 -3.508 116 HB3 ARG 16 2HB ARG 16 -1.311 -19.197 -2.445 117 HG2 ARG 16 1HG ARG 16 -2.803 -18.853 -4.373 118 HG3 ARG 16 2HG ARG 16 -1.562 -19.480 -5.464 119 HD2 ARG 16 1HD ARG 16 -3.285 -21.188 -4.943 120 HD3 ARG 16 2HD ARG 16 -1.682 -21.674 -4.390 121 HE ARG 16 HE ARG 16 -2.328 -21.226 -2.141 122 HH11 ARG 16 1HH1 ARG 16 -5.048 -21.090 -4.368 123 HH12 ARG 16 2HH1 ARG 16 -6.225 -21.247 -3.106 124 HH21 ARG 16 1HH2 ARG 16 -3.892 -21.466 -0.527 125 HH22 ARG 16 2HH2 ARG 16 -5.576 -21.480 -0.942 126 H HIS 17 H HIS 17 1.887 -18.961 -3.217 127 HA HIS 17 HA HIS 17 3.861 -18.646 -2.194 128 HB2 HIS 17 1HB HIS 17 3.680 -16.383 -3.304 129 HB3 HIS 17 2HB HIS 17 3.005 -15.745 -1.815 130 HD2 HIS 17 HD2 HIS 17 4.850 -14.720 -0.124 131 HE1 HIS 17 HE1 HIS 17 8.250 -16.563 -1.837 132 HE2 HIS 17 HE2 HIS 17 7.408 -15.109 0.056 133 H GLY 18 H GLY 18 4.919 -17.962 -0.005 134 HA2 GLY 18 1HA GLY 18 3.443 -19.056 2.171 135 HA3 GLY 18 2HA GLY 18 5.035 -18.323 2.255 136 H GLN 19 H GLN 19 5.002 -15.826 2.008 137 HA GLN 19 HA GLN 19 2.690 -14.486 3.156 138 HB2 GLN 19 1HB GLN 19 3.798 -15.468 5.142 139 HB3 GLN 19 2HB GLN 19 5.312 -14.684 4.712 140 HG2 GLN 19 1HG GLN 19 4.307 -12.487 5.109 141 HG3 GLN 19 2HG GLN 19 2.750 -13.233 5.464 142 HE21 GLN 19 2HE2 GLN 19 2.497 -14.382 7.426 143 HE22 GLN 19 1HE2 GLN 19 3.573 -14.157 8.758 144 H GLY 20 H GLY 20 2.746 -12.254 2.955 145 HA2 GLY 20 1HA GLY 20 4.859 -10.518 2.544 146 HA3 GLY 20 2HA GLY 20 4.402 -11.090 0.941 147 H LEU 21 H LEU 21 4.030 -8.526 1.004 148 HA LEU 21 HA LEU 21 1.314 -7.910 1.918 149 HB2 LEU 21 1HB LEU 21 2.997 -6.167 2.234 150 HB3 LEU 21 2HB LEU 21 3.360 -6.153 0.514 151 HG LEU 21 HG LEU 21 1.134 -5.245 -0.001 152 HD11 LEU 21 1HD1 LEU 21 0.556 -5.359 2.971 153 HD12 LEU 21 2HD1 LEU 21 -0.210 -6.321 1.706 154 HD13 LEU 21 3HD1 LEU 21 -0.459 -4.580 1.754 155 HD21 LEU 21 3HD2 LEU 21 2.921 -3.629 0.508 156 HD22 LEU 21 1HD2 LEU 21 2.473 -3.649 2.218 157 HD23 LEU 21 2HD2 LEU 21 1.350 -3.011 1.011 158 H ARG 22 H ARG 22 -0.276 -8.497 0.744 159 HA ARG 22 HA ARG 22 -0.261 -8.340 -2.209 160 HB2 ARG 22 1HB ARG 22 -1.683 -10.391 -0.430 161 HB3 ARG 22 2HB ARG 22 -1.963 -10.219 -2.166 162 HG2 ARG 22 1HG ARG 22 0.344 -10.867 -2.638 163 HG3 ARG 22 2HG ARG 22 0.710 -10.935 -0.912 164 HD2 ARG 22 1HD ARG 22 0.370 -13.179 -1.834 165 HD3 ARG 22 2HD ARG 22 -0.873 -12.797 -0.638 166 HE ARG 22 HE ARG 22 -1.793 -12.155 -3.243 167 HH11 ARG 22 1HH1 ARG 22 -1.146 -14.958 -1.223 168 HH12 ARG 22 2HH1 ARG 22 -2.319 -15.954 -2.017 169 HH21 ARG 22 1HH2 ARG 22 -3.349 -13.457 -4.258 170 HH22 ARG 22 2HH2 ARG 22 -3.573 -15.097 -3.745 171 H PHE 23 H PHE 23 -2.283 -7.684 -3.104 172 HA PHE 23 HA PHE 23 -4.379 -6.621 -1.425 173 HB2 PHE 23 1HB PHE 23 -4.048 -4.246 -2.366 174 HB3 PHE 23 2HB PHE 23 -2.914 -4.765 -1.129 175 HD1 PHE 23 HD2 PHE 23 -3.268 -4.192 -4.817 176 HD2 PHE 23 HD1 PHE 23 -0.550 -4.828 -1.569 177 HE1 PHE 23 HE2 PHE 23 -1.377 -3.561 -6.261 178 HE2 PHE 23 HE1 PHE 23 1.327 -4.190 -3.027 179 HZ PHE 23 HZ PHE 23 0.917 -3.554 -5.368 180 H ALA 24 H ALA 24 -6.230 -6.137 -2.529 181 HA ALA 24 HA ALA 24 -6.429 -6.587 -5.424 182 HB1 ALA 24 3HB ALA 24 -8.112 -7.663 -3.971 183 HB2 ALA 24 1HB ALA 24 -8.871 -6.474 -5.029 184 HB3 ALA 24 2HB ALA 24 -8.584 -6.090 -3.328 185 H ALA 25 H ALA 25 -7.781 -4.879 -6.647 186 HA ALA 25 HA ALA 25 -6.854 -2.212 -6.266 187 HB1 ALA 25 3HB ALA 25 -7.570 -3.055 -8.474 188 HB2 ALA 25 1HB ALA 25 -8.479 -1.608 -8.031 189 HB3 ALA 25 2HB ALA 25 -9.230 -3.201 -7.894 190 H GLY 26 H GLY 26 -7.394 -1.029 -4.504 191 HA2 GLY 26 1HA GLY 26 -9.097 0.508 -3.667 192 HA3 GLY 26 2HA GLY 26 -10.260 -0.806 -3.711 193 H GLU 27 H GLU 27 -7.057 -1.515 -2.489 194 HA GLU 27 HA GLU 27 -8.148 -1.903 0.215 195 HB2 GLU 27 1HB GLU 27 -5.362 -2.634 -0.793 196 HB3 GLU 27 2HB GLU 27 -6.133 -3.180 0.698 197 HG2 GLU 27 1HG GLU 27 -6.870 -3.921 -2.141 198 HG3 GLU 27 2HG GLU 27 -6.150 -4.963 -0.921 199 H LEU 28 H LEU 28 -7.538 -0.763 1.992 200 HA LEU 28 HA LEU 28 -6.124 1.760 1.629 201 HB2 LEU 28 1HB LEU 28 -7.472 0.574 4.096 202 HB3 LEU 28 2HB LEU 28 -6.859 2.221 3.962 203 HG LEU 28 HG LEU 28 -9.144 1.062 2.302 204 HD11 LEU 28 1HD1 LEU 28 -9.791 1.309 4.641 205 HD12 LEU 28 2HD1 LEU 28 -10.637 2.469 3.622 206 HD13 LEU 28 3HD1 LEU 28 -9.286 3.001 4.629 207 HD21 LEU 28 3HD2 LEU 28 -9.538 3.365 1.529 208 HD22 LEU 28 1HD2 LEU 28 -7.933 2.804 1.068 209 HD23 LEU 28 2HD2 LEU 28 -8.118 3.925 2.418 210 H ILE 29 H ILE 29 -3.974 1.470 1.506 211 HA ILE 29 HA ILE 29 -2.455 -0.214 3.361 212 HB ILE 29 HB ILE 29 -1.494 1.516 1.019 213 HG12 ILE 29 1HG1 ILE 29 -2.935 -0.337 0.234 214 HG13 ILE 29 2HG1 ILE 29 -1.267 -0.597 -0.258 215 HG21 ILE 29 1HG2 ILE 29 0.316 1.191 2.646 216 HG22 ILE 29 2HG2 ILE 29 0.649 0.262 1.185 217 HG23 ILE 29 3HG2 ILE 29 0.056 -0.556 2.634 218 HD11 ILE 29 3HD1 ILE 29 -1.010 -2.237 1.558 219 HD12 ILE 29 1HD1 ILE 29 -2.303 -2.661 0.434 220 HD13 ILE 29 2HD1 ILE 29 -2.698 -1.978 2.009 221 H THR 30 H THR 30 -1.691 0.603 5.197 222 HA THR 30 HA THR 30 -1.493 3.462 5.755 223 HB THR 30 HB THR 30 -0.814 1.074 7.550 224 HG1 THR 30 HG1 THR 30 -2.967 0.911 7.043 225 HG21 THR 30 3HG2 THR 30 -1.126 2.657 9.419 226 HG22 THR 30 1HG2 THR 30 -1.454 3.964 8.279 227 HG23 THR 30 2HG2 THR 30 0.149 3.226 8.340 228 H LEU 31 H LEU 31 0.326 4.402 4.886 229 HA LEU 31 HA LEU 31 2.779 3.006 4.374 230 HB2 LEU 31 1HB LEU 31 2.158 5.983 4.346 231 HB3 LEU 31 2HB LEU 31 3.680 5.287 3.810 232 HG LEU 31 HG LEU 31 0.962 4.752 2.521 233 HD11 LEU 31 1HD1 LEU 31 1.696 7.059 2.144 234 HD12 LEU 31 2HD1 LEU 31 1.773 6.124 0.652 235 HD13 LEU 31 3HD1 LEU 31 3.257 6.488 1.539 236 HD21 LEU 31 3HD2 LEU 31 2.455 2.818 2.276 237 HD22 LEU 31 1HD2 LEU 31 3.746 3.853 1.658 238 HD23 LEU 31 2HD2 LEU 31 2.261 3.633 0.728 239 H LEU 32 H LEU 32 4.126 2.378 5.938 240 HA LEU 32 HA LEU 32 4.140 3.560 8.589 241 HB2 LEU 32 1HB LEU 32 5.882 1.363 7.383 242 HB3 LEU 32 2HB LEU 32 5.780 1.768 9.094 243 HG LEU 32 HG LEU 32 3.512 0.620 7.405 244 HD11 LEU 32 1HD1 LEU 32 5.207 -0.733 9.534 245 HD12 LEU 32 2HD1 LEU 32 5.273 -1.027 7.793 246 HD13 LEU 32 3HD1 LEU 32 3.820 -1.441 8.696 247 HD21 LEU 32 3HD2 LEU 32 3.576 1.243 10.385 248 HD22 LEU 32 1HD2 LEU 32 2.281 0.383 9.542 249 HD23 LEU 32 2HD2 LEU 32 2.613 2.069 9.156 250 H GLN 33 H GLN 33 6.552 3.008 5.997 251 HA GLN 33 HA GLN 33 8.214 5.235 7.034 252 HB2 GLN 33 1HB GLN 33 9.011 2.928 5.201 253 HB3 GLN 33 2HB GLN 33 10.083 4.204 5.781 254 HG2 GLN 33 1HG GLN 33 9.777 3.398 8.097 255 HG3 GLN 33 2HG GLN 33 8.706 2.123 7.514 256 HE21 GLN 33 2HE2 GLN 33 9.597 0.382 6.366 257 HE22 GLN 33 1HE2 GLN 33 11.285 0.027 6.399 258 H VAL 34 H VAL 34 8.547 6.969 5.749 259 HA VAL 34 HA VAL 34 7.845 6.868 2.898 260 HB VAL 34 HB VAL 34 6.834 9.252 3.158 261 HG11 VAL 34 1HG1 VAL 34 5.468 7.302 2.528 262 HG12 VAL 34 2HG1 VAL 34 4.559 8.377 3.590 263 HG13 VAL 34 3HG1 VAL 34 5.246 6.879 4.229 264 HG21 VAL 34 3HG2 VAL 34 6.494 8.340 6.047 265 HG22 VAL 34 1HG2 VAL 34 5.750 9.771 5.323 266 HG23 VAL 34 2HG2 VAL 34 7.504 9.678 5.500 267 HA PRO 35 HA PRO 35 11.932 9.003 3.127 268 HB2 PRO 35 1HB PRO 35 13.124 7.566 1.142 269 HB3 PRO 35 2HB PRO 35 13.084 6.991 2.816 270 HG2 PRO 35 1HG PRO 35 11.307 6.219 0.500 271 HG3 PRO 35 2HG PRO 35 12.078 5.171 1.710 272 HD2 PRO 35 1HD PRO 35 9.455 5.945 1.887 273 HD3 PRO 35 2HD PRO 35 10.453 5.610 3.318 274 H ASP 36 H ASP 36 12.862 10.328 1.394 275 HA ASP 36 HA ASP 36 10.841 11.611 -0.192 276 HB2 ASP 36 1HB ASP 36 12.664 12.896 0.928 277 HB3 ASP 36 2HB ASP 36 13.855 12.121 -0.116 278 H GLY 37 H GLY 37 10.125 10.374 -1.856 279 HA2 GLY 37 1HA GLY 37 11.429 10.266 -4.315 280 HA3 GLY 37 2HA GLY 37 11.677 8.694 -3.547 281 H GLY 38 H GLY 38 10.393 7.788 -5.284 282 HA2 GLY 38 1HA GLY 38 7.459 8.151 -5.007 283 HA3 GLY 38 2HA GLY 38 8.296 7.313 -6.307 284 H TRP 39 H TRP 39 10.017 6.104 -4.026 285 HA TRP 39 HA TRP 39 8.404 3.683 -3.683 286 HB2 TRP 39 1HB TRP 39 11.351 4.249 -3.090 287 HB3 TRP 39 2HB TRP 39 10.575 2.673 -2.949 288 HD1 TRP 39 HD1 TRP 39 11.395 5.307 -5.709 289 HE1 TRP 39 HE1 TRP 39 11.775 4.044 -7.916 290 HE3 TRP 39 HE3 TRP 39 10.294 0.549 -4.149 291 HZ2 TRP 39 HZ2 TRP 39 11.639 1.408 -8.881 292 HZ3 TRP 39 HZ3 TRP 39 10.455 -1.290 -5.782 293 HH2 TRP 39 HH2 TRP 39 11.115 -0.868 -8.102 294 H TRP 40 H TRP 40 7.267 3.448 -1.827 295 HA TRP 40 HA TRP 40 8.371 4.430 0.741 296 HB2 TRP 40 1HB TRP 40 5.432 4.590 -0.098 297 HB3 TRP 40 2HB TRP 40 6.088 5.077 1.467 298 HD1 TRP 40 HD1 TRP 40 8.140 7.130 1.126 299 HE1 TRP 40 HE1 TRP 40 7.912 9.268 -0.266 300 HE3 TRP 40 HE3 TRP 40 4.372 5.655 -1.985 301 HZ2 TRP 40 HZ2 TRP 40 6.353 10.215 -2.407 302 HZ3 TRP 40 HZ3 TRP 40 3.575 7.240 -3.682 303 HH2 TRP 40 HH2 TRP 40 4.544 9.473 -3.893 304 H GLU 41 H GLU 41 7.727 3.224 2.560 305 HA GLU 41 HA GLU 41 6.980 0.419 1.986 306 HB2 GLU 41 1HB GLU 41 9.211 0.984 3.112 307 HB3 GLU 41 2HB GLU 41 8.295 1.554 4.499 308 HG2 GLU 41 1HG GLU 41 8.080 -1.285 3.437 309 HG3 GLU 41 2HG GLU 41 9.300 -0.802 4.613 310 H GLY 42 H GLY 42 5.138 -0.369 2.826 311 HA2 GLY 42 1HA GLY 42 3.647 1.001 4.932 312 HA3 GLY 42 2HA GLY 42 2.905 0.984 3.336 313 H GLU 43 H GLU 43 2.051 -0.260 5.858 314 HA GLU 43 HA GLU 43 1.914 -3.090 5.022 315 HB2 GLU 43 1HB GLU 43 1.098 -3.597 7.242 316 HB3 GLU 43 2HB GLU 43 2.530 -2.593 7.416 317 HG2 GLU 43 1HG GLU 43 1.200 -0.654 8.004 318 HG3 GLU 43 2HG GLU 43 -0.294 -1.489 7.597 319 H LYS 44 H LYS 44 -0.071 -4.037 4.563 320 HA LYS 44 HA LYS 44 -2.497 -2.468 4.474 321 HB2 LYS 44 1HB LYS 44 -2.007 -4.535 3.010 322 HB3 LYS 44 2HB LYS 44 -2.259 -5.518 4.449 323 HG2 LYS 44 1HG LYS 44 -4.570 -4.630 4.619 324 HG3 LYS 44 2HG LYS 44 -4.292 -3.671 3.159 325 HD2 LYS 44 1HD LYS 44 -4.003 -5.737 1.838 326 HD3 LYS 44 2HD LYS 44 -4.211 -6.715 3.301 327 HE2 LYS 44 1HE LYS 44 -6.506 -5.776 3.562 328 HE3 LYS 44 2HE LYS 44 -6.296 -4.882 2.055 329 HZ1 LYS 44 3HZ LYS 44 -7.520 -6.863 1.664 330 HZ2 LYS 44 1HZ LYS 44 -6.331 -7.822 2.387 331 HZ3 LYS 44 2HZ LYS 44 -6.003 -7.024 0.938 332 H GLU 45 H GLU 45 -4.303 -2.978 5.987 333 HA GLU 45 HA GLU 45 -3.319 -2.665 8.661 334 HB2 GLU 45 1HB GLU 45 -6.188 -2.769 7.659 335 HB3 GLU 45 2HB GLU 45 -5.651 -2.140 9.220 336 HG2 GLU 45 1HG GLU 45 -4.350 -0.383 8.037 337 HG3 GLU 45 2HG GLU 45 -4.947 -0.990 6.493 338 H ASP 46 H ASP 46 -3.467 -5.469 7.198 339 HA ASP 46 HA ASP 46 -4.462 -7.093 9.425 340 HB2 ASP 46 1HB ASP 46 -3.182 -7.931 6.774 341 HB3 ASP 46 2HB ASP 46 -3.965 -9.000 7.937 342 H GLY 47 H GLY 47 -1.689 -5.385 8.782 343 HA2 GLY 47 1HA GLY 47 0.255 -5.374 10.068 344 HA3 GLY 47 2HA GLY 47 -0.057 -7.023 10.577 345 H LEU 48 H LEU 48 -0.414 -6.826 7.252 346 HA LEU 48 HA LEU 48 2.186 -8.111 6.756 347 HB2 LEU 48 1HB LEU 48 -0.242 -7.743 4.945 348 HB3 LEU 48 2HB LEU 48 1.194 -8.686 4.550 349 HG LEU 48 HG LEU 48 -0.764 -9.314 6.803 350 HD11 LEU 48 1HD1 LEU 48 -1.469 -11.231 5.443 351 HD12 LEU 48 2HD1 LEU 48 -0.409 -10.711 4.130 352 HD13 LEU 48 3HD1 LEU 48 -1.775 -9.704 4.619 353 HD21 LEU 48 3HD2 LEU 48 1.647 -10.910 5.858 354 HD22 LEU 48 1HD2 LEU 48 0.473 -11.433 7.072 355 HD23 LEU 48 2HD2 LEU 48 1.501 -10.038 7.386 356 H ARG 49 H ARG 49 3.850 -6.826 6.090 357 HA ARG 49 HA ARG 49 3.235 -4.251 4.748 358 HB2 ARG 49 1HB ARG 49 4.944 -3.157 5.964 359 HB3 ARG 49 2HB ARG 49 4.075 -4.104 7.160 360 HG2 ARG 49 1HG ARG 49 5.874 -5.762 7.202 361 HG3 ARG 49 2HG ARG 49 6.720 -4.909 5.907 362 HD2 ARG 49 1HD ARG 49 6.795 -2.874 7.451 363 HD3 ARG 49 2HD ARG 49 6.238 -3.941 8.746 364 HE ARG 49 HE ARG 49 8.318 -5.304 8.217 365 HH11 ARG 49 1HH1 ARG 49 8.238 -1.822 7.655 366 HH12 ARG 49 2HH1 ARG 49 9.947 -1.641 7.893 367 HH21 ARG 49 1HH2 ARG 49 10.540 -5.041 8.490 368 HH22 ARG 49 2HH2 ARG 49 11.252 -3.462 8.378 369 H GLY 50 H GLY 50 5.072 -3.323 3.503 370 HA2 GLY 50 1HA GLY 50 7.231 -4.809 2.492 371 HA3 GLY 50 2HA GLY 50 5.858 -5.062 1.419 372 H TRP 51 H TRP 51 8.001 -3.967 0.328 373 HA TRP 51 HA TRP 51 7.728 -1.033 0.267 374 HB2 TRP 51 1HB TRP 51 9.835 -2.981 -0.742 375 HB3 TRP 51 2HB TRP 51 9.761 -1.353 -1.407 376 HD1 TRP 51 HD1 TRP 51 10.819 -3.230 1.735 377 HE1 TRP 51 HE1 TRP 51 12.036 -1.585 3.289 378 HE3 TRP 51 HE3 TRP 51 9.782 1.120 -0.736 379 HZ2 TRP 51 HZ2 TRP 51 12.492 1.195 3.461 380 HZ3 TRP 51 HZ3 TRP 51 10.649 3.242 0.189 381 HH2 TRP 51 HH2 TRP 51 11.976 3.274 2.246 382 H PHE 52 H PHE 52 6.614 -0.042 -1.279 383 HA PHE 52 HA PHE 52 6.465 -1.093 -3.996 384 HB2 PHE 52 1HB PHE 52 3.959 -0.551 -2.320 385 HB3 PHE 52 2HB PHE 52 3.923 -0.559 -4.078 386 HD1 PHE 52 HD1 PHE 52 4.483 -2.692 -5.328 387 HD2 PHE 52 HD2 PHE 52 3.910 -2.628 -1.088 388 HE1 PHE 52 HE1 PHE 52 4.200 -5.136 -5.320 389 HE2 PHE 52 HE2 PHE 52 3.628 -5.071 -1.094 390 HZ PHE 52 HZ PHE 52 3.774 -6.327 -3.206 391 HA PRO 53 HA PRO 53 6.739 3.353 -4.766 392 HB2 PRO 53 1HB PRO 53 6.106 2.970 -7.602 393 HB3 PRO 53 2HB PRO 53 7.675 3.290 -6.859 394 HG2 PRO 53 1HG PRO 53 7.009 0.897 -8.063 395 HG3 PRO 53 2HG PRO 53 8.258 1.063 -6.812 396 HD2 PRO 53 1HD PRO 53 5.396 0.136 -6.530 397 HD3 PRO 53 2HD PRO 53 6.873 -0.517 -5.782 398 H ALA 54 H ALA 54 5.416 5.069 -5.927 399 HA ALA 54 HA ALA 54 2.738 5.175 -5.106 400 HB1 ALA 54 3HB ALA 54 2.566 7.240 -6.442 401 HB2 ALA 54 1HB ALA 54 4.065 6.830 -7.289 402 HB3 ALA 54 2HB ALA 54 4.095 7.199 -5.567 403 H SER 55 H SER 55 4.129 3.728 -7.902 404 HA SER 55 HA SER 55 2.291 3.967 -9.940 405 HB2 SER 55 1HB SER 55 3.944 1.483 -9.323 406 HB3 SER 55 2HB SER 55 3.370 2.012 -10.915 407 HG SER 55 HG SER 55 4.652 3.998 -10.426 408 H TYR 56 H TYR 56 2.101 1.801 -7.134 409 HA TYR 56 HA TYR 56 -0.184 0.317 -8.275 410 HB2 TYR 56 1HB TYR 56 1.518 -0.174 -5.788 411 HB3 TYR 56 2HB TYR 56 0.129 -1.167 -6.233 412 HD1 TYR 56 HD2 TYR 56 0.224 -2.655 -8.224 413 HD2 TYR 56 HD1 TYR 56 3.630 -0.347 -7.049 414 HE1 TYR 56 HE2 TYR 56 1.647 -4.014 -9.694 415 HE2 TYR 56 HE1 TYR 56 5.056 -1.708 -8.526 416 HH TYR 56 HH TYR 56 3.832 -3.721 -10.918 417 H VAL 57 H VAL 57 0.362 2.959 -6.165 418 HA VAL 57 HA VAL 57 -2.233 2.576 -4.777 419 HB VAL 57 HB VAL 57 -1.316 3.751 -2.807 420 HG11 VAL 57 1HG1 VAL 57 0.362 1.326 -3.572 421 HG12 VAL 57 2HG1 VAL 57 -1.227 1.294 -2.806 422 HG13 VAL 57 3HG1 VAL 57 0.155 1.958 -1.934 423 HG21 VAL 57 3HG2 VAL 57 1.369 3.715 -4.258 424 HG22 VAL 57 1HG2 VAL 57 1.128 4.203 -2.575 425 HG23 VAL 57 2HG2 VAL 57 0.409 5.146 -3.880 426 H GLN 58 H GLN 58 -3.008 4.679 -3.794 427 HA GLN 58 HA GLN 58 -2.514 7.089 -5.437 428 HB2 GLN 58 1HB GLN 58 -4.671 6.159 -6.165 429 HB3 GLN 58 2HB GLN 58 -5.220 6.005 -4.505 430 HG2 GLN 58 1HG GLN 58 -6.269 7.915 -5.676 431 HG3 GLN 58 2HG GLN 58 -5.337 8.427 -4.268 432 HE21 GLN 58 2HE2 GLN 58 -3.523 9.733 -4.554 433 HE22 GLN 58 1HE2 GLN 58 -3.103 10.449 -6.070 434 H LEU 59 H LEU 59 -1.673 8.549 -4.104 435 HA LEU 59 HA LEU 59 -1.582 8.343 -1.290 436 HB2 LEU 59 1HB LEU 59 -1.043 10.787 -3.029 437 HB3 LEU 59 2HB LEU 59 -0.528 10.578 -1.356 438 HG LEU 59 HG LEU 59 0.447 8.956 -3.750 439 HD11 LEU 59 1HD1 LEU 59 1.353 11.225 -3.697 440 HD12 LEU 59 2HD1 LEU 59 2.603 10.034 -3.364 441 HD13 LEU 59 3HD1 LEU 59 1.921 10.985 -2.041 442 HD21 LEU 59 3HD2 LEU 59 0.332 7.510 -1.771 443 HD22 LEU 59 1HD2 LEU 59 1.251 8.682 -0.823 444 HD23 LEU 59 2HD2 LEU 59 2.004 7.849 -2.184 445 H LEU 60 H LEU 60 -2.944 9.004 0.241 446 HA LEU 60 HA LEU 60 -5.384 10.507 -0.500 447 HB2 LEU 60 1HB LEU 60 -4.940 8.567 1.807 448 HB3 LEU 60 2HB LEU 60 -6.456 9.362 1.411 449 HG LEU 60 HG LEU 60 -5.034 7.275 -0.295 450 HD11 LEU 60 1HD1 LEU 60 -5.985 6.276 1.708 451 HD12 LEU 60 2HD1 LEU 60 -6.895 5.783 0.285 452 HD13 LEU 60 3HD1 LEU 60 -7.559 7.007 1.371 453 HD21 LEU 60 3HD2 LEU 60 -7.717 8.620 -0.782 454 HD22 LEU 60 1HD2 LEU 60 -7.044 7.287 -1.724 455 HD23 LEU 60 2HD2 LEU 60 -6.242 8.854 -1.723 Start of MODEL 18 1 H1 MET 1 1H MET 1 3.952 4.416 10.187 2 H2 MET 1 2H MET 1 4.745 4.081 11.638 3 H3 MET 1 3H MET 1 3.486 5.203 11.602 4 HA MET 1 HA MET 1 3.245 2.307 11.074 5 HB2 MET 1 1HB MET 1 3.661 2.859 13.456 6 HB3 MET 1 2HB MET 1 2.319 3.991 13.443 7 HG2 MET 1 1HG MET 1 1.881 1.067 12.852 8 HG3 MET 1 2HG MET 1 1.974 1.660 14.507 9 HE1 MET 1 3HE MET 1 -1.156 3.942 14.818 10 HE2 MET 1 1HE MET 1 0.502 4.447 14.501 11 HE3 MET 1 2HE MET 1 0.180 3.161 15.667 12 H SER 2 H SER 2 1.532 5.388 11.569 13 HA SER 2 HA SER 2 -0.538 4.630 9.610 14 HB2 SER 2 1HB SER 2 -2.254 5.634 11.140 15 HB3 SER 2 2HB SER 2 -1.460 4.238 11.867 16 HG SER 2 HG SER 2 -1.686 6.592 12.922 17 H GLY 3 H GLY 3 -2.031 6.984 9.718 18 HA2 GLY 3 1HA GLY 3 -1.999 9.316 9.519 19 HA3 GLY 3 2HA GLY 3 -0.240 9.301 9.503 20 H ALA 4 H ALA 4 0.558 7.834 7.524 21 HA ALA 4 HA ALA 4 -0.209 9.261 5.150 22 HB1 ALA 4 3HB ALA 4 1.740 6.958 5.508 23 HB2 ALA 4 1HB ALA 4 2.138 8.676 5.603 24 HB3 ALA 4 2HB ALA 4 1.595 7.980 4.075 25 H ARG 5 H ARG 5 -2.317 8.721 4.739 26 HA ARG 5 HA ARG 5 -3.275 6.000 4.398 27 HB2 ARG 5 1HB ARG 5 -4.750 7.815 5.275 28 HB3 ARG 5 2HB ARG 5 -4.547 8.705 3.769 29 HG2 ARG 5 1HG ARG 5 -5.662 6.746 2.575 30 HG3 ARG 5 2HG ARG 5 -6.027 6.083 4.173 31 HD2 ARG 5 1HD ARG 5 -7.249 8.221 4.707 32 HD3 ARG 5 2HD ARG 5 -6.969 8.743 3.039 33 HE ARG 5 HE ARG 5 -8.359 6.198 3.478 34 HH11 ARG 5 1HH1 ARG 5 -8.608 9.566 2.483 35 HH12 ARG 5 2HH1 ARG 5 -10.229 9.384 1.894 36 HH21 ARG 5 1HH2 ARG 5 -10.466 5.985 2.683 37 HH22 ARG 5 2HH2 ARG 5 -11.271 7.362 2.013 38 H CYS 6 H CYS 6 -3.066 4.866 2.518 39 HA CYS 6 HA CYS 6 -2.695 6.344 -0.009 40 HB2 CYS 6 1HB CYS 6 -0.537 5.351 0.759 41 HB3 CYS 6 2HB CYS 6 -1.272 3.756 0.714 42 HG CYS 6 HG CYS 6 -1.736 3.823 -2.050 43 H ARG 7 H ARG 7 -3.328 5.272 -1.907 44 HA ARG 7 HA ARG 7 -5.627 3.419 -1.568 45 HB2 ARG 7 1HB ARG 7 -6.326 5.664 -2.278 46 HB3 ARG 7 2HB ARG 7 -5.122 5.680 -3.560 47 HG2 ARG 7 1HG ARG 7 -6.383 3.755 -4.645 48 HG3 ARG 7 2HG ARG 7 -7.649 3.988 -3.430 49 HD2 ARG 7 1HD ARG 7 -7.991 6.297 -4.217 50 HD3 ARG 7 2HD ARG 7 -6.676 6.108 -5.382 51 HE ARG 7 HE ARG 7 -8.889 4.233 -5.627 52 HH11 ARG 7 1HH1 ARG 7 -7.425 7.199 -6.798 53 HH12 ARG 7 2HH1 ARG 7 -8.385 7.250 -8.237 54 HH21 ARG 7 1HH2 ARG 7 -10.182 4.326 -7.488 55 HH22 ARG 7 2HH2 ARG 7 -9.952 5.613 -8.626 56 H THR 8 H THR 8 -5.424 1.524 -2.600 57 HA THR 8 HA THR 8 -3.313 0.899 -4.455 58 HB THR 8 HB THR 8 -4.692 -1.296 -4.651 59 HG1 THR 8 HG1 THR 8 -6.154 -1.331 -2.646 60 HG21 THR 8 3HG2 THR 8 -3.798 -0.446 -1.869 61 HG22 THR 8 1HG2 THR 8 -2.747 -1.113 -3.123 62 HG23 THR 8 2HG2 THR 8 -4.028 -2.107 -2.423 63 H LEU 9 H LEU 9 -3.352 1.323 -6.570 64 HA LEU 9 HA LEU 9 -5.618 2.475 -7.906 65 HB2 LEU 9 1HB LEU 9 -2.951 1.525 -9.037 66 HB3 LEU 9 2HB LEU 9 -4.118 2.526 -9.894 67 HG LEU 9 HG LEU 9 -2.585 3.364 -7.389 68 HD11 LEU 9 1HD1 LEU 9 -1.079 3.172 -9.302 69 HD12 LEU 9 2HD1 LEU 9 -1.312 4.861 -8.865 70 HD13 LEU 9 3HD1 LEU 9 -2.137 4.199 -10.278 71 HD21 LEU 9 3HD2 LEU 9 -4.464 4.977 -9.149 72 HD22 LEU 9 1HD2 LEU 9 -3.494 5.616 -7.817 73 HD23 LEU 9 2HD2 LEU 9 -4.770 4.445 -7.493 74 H TYR 10 H TYR 10 -3.791 -0.583 -8.255 75 HA TYR 10 HA TYR 10 -6.153 -1.926 -9.401 76 HB2 TYR 10 1HB TYR 10 -3.413 -1.704 -10.713 77 HB3 TYR 10 2HB TYR 10 -4.438 -3.098 -11.035 78 HD1 TYR 10 HD2 TYR 10 -4.073 0.550 -11.552 79 HD2 TYR 10 HD1 TYR 10 -6.495 -2.881 -12.355 80 HE1 TYR 10 HE2 TYR 10 -5.298 1.815 -13.267 81 HE2 TYR 10 HE1 TYR 10 -7.724 -1.613 -14.066 82 HH TYR 10 HH TYR 10 -6.649 1.450 -15.219 83 HA PRO 11 HA PRO 11 -4.839 -5.215 -6.659 84 HB2 PRO 11 1HB PRO 11 -6.050 -7.402 -7.745 85 HB3 PRO 11 2HB PRO 11 -6.972 -6.108 -6.967 86 HG2 PRO 11 1HG PRO 11 -6.494 -6.595 -9.901 87 HG3 PRO 11 2HG PRO 11 -7.998 -6.132 -9.075 88 HD2 PRO 11 1HD PRO 11 -6.380 -4.324 -10.376 89 HD3 PRO 11 2HD PRO 11 -7.415 -3.887 -9.001 90 H PHE 12 H PHE 12 -2.880 -6.182 -6.490 91 HA PHE 12 HA PHE 12 -1.653 -7.464 -8.866 92 HB2 PHE 12 1HB PHE 12 -0.547 -5.321 -7.859 93 HB3 PHE 12 2HB PHE 12 -0.080 -6.346 -6.510 94 HD1 PHE 12 HD1 PHE 12 -0.132 -7.486 -10.060 95 HD2 PHE 12 HD2 PHE 12 2.302 -6.086 -6.832 96 HE1 PHE 12 HE1 PHE 12 1.893 -8.063 -11.324 97 HE2 PHE 12 HE2 PHE 12 4.313 -6.678 -8.108 98 HZ PHE 12 HZ PHE 12 4.117 -7.663 -10.348 99 H SER 13 H SER 13 -2.093 -9.535 -8.647 100 HA SER 13 HA SER 13 -2.417 -10.798 -6.025 101 HB2 SER 13 1HB SER 13 -4.219 -11.030 -7.740 102 HB3 SER 13 2HB SER 13 -3.083 -11.844 -8.818 103 HG SER 13 HG SER 13 -2.963 -13.145 -6.538 104 H GLY 14 H GLY 14 -0.676 -11.284 -9.076 105 HA2 GLY 14 1HA GLY 14 1.675 -12.369 -7.867 106 HA3 GLY 14 2HA GLY 14 0.682 -13.639 -8.589 107 H GLU 15 H GLU 15 1.148 -14.098 -10.607 108 HA GLU 15 HA GLU 15 1.989 -14.139 -12.671 109 HB2 GLU 15 1HB GLU 15 0.248 -12.513 -13.213 110 HB3 GLU 15 2HB GLU 15 1.286 -11.188 -12.707 111 HG2 GLU 15 1HG GLU 15 1.204 -11.275 -15.131 112 HG3 GLU 15 2HG GLU 15 2.828 -11.670 -14.586 113 H ARG 16 H ARG 16 3.156 -10.893 -11.741 114 HA ARG 16 HA ARG 16 5.810 -11.443 -12.740 115 HB2 ARG 16 1HB ARG 16 4.452 -9.193 -12.807 116 HB3 ARG 16 2HB ARG 16 5.032 -8.969 -11.168 117 HG2 ARG 16 1HG ARG 16 6.526 -7.749 -12.547 118 HG3 ARG 16 2HG ARG 16 7.405 -9.213 -12.100 119 HD2 ARG 16 1HD ARG 16 5.957 -8.774 -14.749 120 HD3 ARG 16 2HD ARG 16 7.695 -8.615 -14.502 121 HE ARG 16 HE ARG 16 7.578 -11.069 -13.802 122 HH11 ARG 16 1HH1 ARG 16 5.438 -9.722 -16.248 123 HH12 ARG 16 2HH1 ARG 16 5.204 -11.241 -17.048 124 HH21 ARG 16 1HH2 ARG 16 7.196 -13.060 -14.829 125 HH22 ARG 16 2HH2 ARG 16 6.205 -13.122 -16.247 126 H HIS 17 H HIS 17 4.280 -11.935 -9.742 127 HA HIS 17 HA HIS 17 6.847 -12.563 -8.468 128 HB2 HIS 17 1HB HIS 17 6.324 -11.467 -6.379 129 HB3 HIS 17 2HB HIS 17 6.107 -10.267 -7.648 130 HD2 HIS 17 HD2 HIS 17 3.405 -9.527 -8.138 131 HE1 HIS 17 HE1 HIS 17 1.944 -11.352 -4.619 132 HE2 HIS 17 HE2 HIS 17 1.352 -9.906 -6.606 133 H GLY 18 H GLY 18 6.463 -13.816 -6.406 134 HA2 GLY 18 1HA GLY 18 3.998 -15.456 -6.372 135 HA3 GLY 18 2HA GLY 18 5.582 -16.229 -6.385 136 H GLN 19 H GLN 19 6.651 -13.948 -4.689 137 HA GLN 19 HA GLN 19 5.474 -14.676 -2.066 138 HB2 GLN 19 1HB GLN 19 8.430 -14.462 -2.810 139 HB3 GLN 19 2HB GLN 19 7.845 -14.541 -1.150 140 HG2 GLN 19 1HG GLN 19 7.501 -16.697 -3.258 141 HG3 GLN 19 2HG GLN 19 8.648 -16.728 -1.919 142 HE21 GLN 19 2HE2 GLN 19 6.490 -18.613 -2.579 143 HE22 GLN 19 1HE2 GLN 19 5.479 -18.682 -1.177 144 H GLY 20 H GLY 20 5.260 -12.257 -3.974 145 HA2 GLY 20 1HA GLY 20 6.185 -10.035 -2.346 146 HA3 GLY 20 2HA GLY 20 5.134 -9.950 -3.755 147 H LEU 21 H LEU 21 4.395 -8.311 -1.838 148 HA LEU 21 HA LEU 21 2.431 -9.601 -0.084 149 HB2 LEU 21 1HB LEU 21 3.834 -7.709 0.797 150 HB3 LEU 21 2HB LEU 21 3.084 -6.637 -0.374 151 HG LEU 21 HG LEU 21 0.856 -7.021 0.713 152 HD11 LEU 21 1HD1 LEU 21 1.215 -9.243 1.673 153 HD12 LEU 21 2HD1 LEU 21 0.686 -8.101 2.904 154 HD13 LEU 21 3HD1 LEU 21 2.383 -8.581 2.824 155 HD21 LEU 21 3HD2 LEU 21 2.972 -6.009 2.636 156 HD22 LEU 21 1HD2 LEU 21 1.244 -5.654 2.702 157 HD23 LEU 21 2HD2 LEU 21 2.212 -5.074 1.350 158 H ARG 22 H ARG 22 0.365 -9.843 -0.652 159 HA ARG 22 HA ARG 22 -0.642 -8.888 -3.193 160 HB2 ARG 22 1HB ARG 22 -1.774 -10.718 -1.052 161 HB3 ARG 22 2HB ARG 22 -2.812 -10.106 -2.328 162 HG2 ARG 22 1HG ARG 22 -2.080 -12.307 -2.933 163 HG3 ARG 22 2HG ARG 22 -1.326 -11.151 -4.025 164 HD2 ARG 22 1HD ARG 22 0.784 -11.330 -2.758 165 HD3 ARG 22 2HD ARG 22 0.022 -12.473 -1.643 166 HE ARG 22 HE ARG 22 -0.277 -13.441 -4.261 167 HH11 ARG 22 1HH1 ARG 22 2.375 -12.937 -1.990 168 HH12 ARG 22 2HH1 ARG 22 3.301 -14.259 -2.623 169 HH21 ARG 22 1HH2 ARG 22 0.957 -15.124 -5.060 170 HH22 ARG 22 2HH2 ARG 22 2.498 -15.495 -4.357 171 H PHE 23 H PHE 23 -2.067 -7.318 -3.559 172 HA PHE 23 HA PHE 23 -3.682 -6.114 -1.456 173 HB2 PHE 23 1HB PHE 23 -2.941 -3.782 -2.076 174 HB3 PHE 23 2HB PHE 23 -1.710 -4.730 -1.260 175 HD1 PHE 23 HD1 PHE 23 0.305 -5.530 -2.509 176 HD2 PHE 23 HD2 PHE 23 -2.602 -3.017 -4.391 177 HE1 PHE 23 HE1 PHE 23 1.922 -4.979 -4.285 178 HE2 PHE 23 HE2 PHE 23 -0.980 -2.474 -6.159 179 HZ PHE 23 HZ PHE 23 1.281 -3.451 -6.104 180 H ALA 24 H ALA 24 -5.648 -5.711 -2.236 181 HA ALA 24 HA ALA 24 -6.207 -5.839 -5.116 182 HB1 ALA 24 3HB ALA 24 -8.552 -6.188 -4.415 183 HB2 ALA 24 1HB ALA 24 -8.085 -5.967 -2.722 184 HB3 ALA 24 2HB ALA 24 -7.476 -7.349 -3.634 185 H ALA 25 H ALA 25 -7.515 -4.212 -6.127 186 HA ALA 25 HA ALA 25 -6.860 -1.538 -5.511 187 HB1 ALA 25 3HB ALA 25 -7.354 -2.315 -7.796 188 HB2 ALA 25 1HB ALA 25 -8.345 -0.922 -7.359 189 HB3 ALA 25 2HB ALA 25 -9.046 -2.545 -7.356 190 H GLY 26 H GLY 26 -7.866 0.017 -4.374 191 HA2 GLY 26 1HA GLY 26 -9.812 1.173 -3.595 192 HA3 GLY 26 2HA GLY 26 -10.641 -0.364 -3.394 193 H GLU 27 H GLU 27 -8.035 -1.448 -2.151 194 HA GLU 27 HA GLU 27 -8.746 -1.062 0.562 195 HB2 GLU 27 1HB GLU 27 -6.166 -2.189 -0.611 196 HB3 GLU 27 2HB GLU 27 -6.614 -2.270 1.095 197 HG2 GLU 27 1HG GLU 27 -8.643 -3.600 0.433 198 HG3 GLU 27 2HG GLU 27 -8.032 -3.615 -1.227 199 H LEU 28 H LEU 28 -8.035 0.276 2.104 200 HA LEU 28 HA LEU 28 -6.292 2.515 1.435 201 HB2 LEU 28 1HB LEU 28 -7.744 1.860 4.030 202 HB3 LEU 28 2HB LEU 28 -6.947 3.386 3.654 203 HG LEU 28 HG LEU 28 -9.409 2.271 2.234 204 HD11 LEU 28 1HD1 LEU 28 -9.219 4.568 4.206 205 HD12 LEU 28 2HD1 LEU 28 -9.933 2.980 4.508 206 HD13 LEU 28 3HD1 LEU 28 -10.662 4.059 3.325 207 HD21 LEU 28 3HD2 LEU 28 -8.061 3.596 0.682 208 HD22 LEU 28 1HD2 LEU 28 -8.016 4.944 1.820 209 HD23 LEU 28 2HD2 LEU 28 -9.546 4.449 1.090 210 H ILE 29 H ILE 29 -4.229 1.877 1.343 211 HA ILE 29 HA ILE 29 -3.018 0.054 3.283 212 HB ILE 29 HB ILE 29 -1.769 1.493 0.883 213 HG12 ILE 29 1HG1 ILE 29 -3.508 -0.105 0.164 214 HG13 ILE 29 2HG1 ILE 29 -1.913 -0.680 -0.301 215 HG21 ILE 29 1HG2 ILE 29 0.115 -0.118 1.118 216 HG22 ILE 29 2HG2 ILE 29 -0.614 -0.743 2.601 217 HG23 ILE 29 3HG2 ILE 29 -0.052 0.929 2.532 218 HD11 ILE 29 3HD1 ILE 29 -3.321 -2.484 0.471 219 HD12 ILE 29 1HD1 ILE 29 -3.556 -1.680 2.022 220 HD13 ILE 29 2HD1 ILE 29 -1.955 -2.268 1.564 221 H THR 30 H THR 30 -2.521 0.967 5.199 222 HA THR 30 HA THR 30 -1.726 3.724 5.491 223 HB THR 30 HB THR 30 -1.258 3.028 7.905 224 HG1 THR 30 HG1 THR 30 -0.838 0.801 7.507 225 HG21 THR 30 3HG2 THR 30 -3.635 2.722 8.507 226 HG22 THR 30 1HG2 THR 30 -4.020 2.341 6.827 227 HG23 THR 30 2HG2 THR 30 -3.460 3.959 7.260 228 H LEU 31 H LEU 31 0.142 4.233 4.537 229 HA LEU 31 HA LEU 31 2.501 2.656 4.434 230 HB2 LEU 31 1HB LEU 31 2.323 5.696 4.238 231 HB3 LEU 31 2HB LEU 31 3.632 4.686 3.651 232 HG LEU 31 HG LEU 31 0.805 4.677 2.505 233 HD11 LEU 31 1HD1 LEU 31 1.718 5.924 0.596 234 HD12 LEU 31 2HD1 LEU 31 3.290 6.033 1.394 235 HD13 LEU 31 3HD1 LEU 31 1.883 6.838 2.096 236 HD21 LEU 31 3HD2 LEU 31 3.338 3.331 1.483 237 HD22 LEU 31 1HD2 LEU 31 1.792 3.390 0.630 238 HD23 LEU 31 2HD2 LEU 31 1.918 2.528 2.161 239 H LEU 32 H LEU 32 4.335 2.731 5.751 240 HA LEU 32 HA LEU 32 3.846 3.234 8.538 241 HB2 LEU 32 1HB LEU 32 6.338 2.329 7.050 242 HB3 LEU 32 2HB LEU 32 6.211 2.391 8.805 243 HG LEU 32 HG LEU 32 4.529 0.615 6.973 244 HD11 LEU 32 1HD1 LEU 32 5.758 -1.257 7.961 245 HD12 LEU 32 2HD1 LEU 32 6.781 -0.136 8.865 246 HD13 LEU 32 3HD1 LEU 32 6.836 -0.161 7.097 247 HD21 LEU 32 3HD2 LEU 32 3.688 -0.410 9.060 248 HD22 LEU 32 1HD2 LEU 32 3.237 1.289 8.926 249 HD23 LEU 32 2HD2 LEU 32 4.547 0.808 10.006 250 H GLN 33 H GLN 33 5.952 4.631 6.067 251 HA GLN 33 HA GLN 33 5.893 7.224 7.327 252 HB2 GLN 33 1HB GLN 33 7.778 6.034 8.518 253 HB3 GLN 33 2HB GLN 33 8.594 5.820 6.971 254 HG2 GLN 33 1HG GLN 33 8.800 8.248 6.725 255 HG3 GLN 33 2HG GLN 33 7.904 8.493 8.222 256 HE21 GLN 33 2HE2 GLN 33 10.578 9.413 7.563 257 HE22 GLN 33 1HE2 GLN 33 11.635 8.736 8.748 258 H VAL 34 H VAL 34 6.764 8.891 5.895 259 HA VAL 34 HA VAL 34 6.830 8.063 3.056 260 HB VAL 34 HB VAL 34 6.119 10.486 2.572 261 HG11 VAL 34 1HG1 VAL 34 4.131 8.710 4.046 262 HG12 VAL 34 2HG1 VAL 34 4.578 8.580 2.345 263 HG13 VAL 34 3HG1 VAL 34 3.717 10.009 2.919 264 HG21 VAL 34 3HG2 VAL 34 6.639 11.487 4.782 265 HG22 VAL 34 1HG2 VAL 34 5.388 10.498 5.538 266 HG23 VAL 34 2HG2 VAL 34 4.945 11.741 4.364 267 HA PRO 35 HA PRO 35 11.060 9.913 3.226 268 HB2 PRO 35 1HB PRO 35 12.344 8.029 1.780 269 HB3 PRO 35 2HB PRO 35 11.988 7.757 3.494 270 HG2 PRO 35 1HG PRO 35 10.506 6.749 1.066 271 HG3 PRO 35 2HG PRO 35 10.977 5.863 2.532 272 HD2 PRO 35 1HD PRO 35 8.451 6.914 2.138 273 HD3 PRO 35 2HD PRO 35 9.159 6.652 3.744 274 H ASP 36 H ASP 36 12.362 10.583 1.239 275 HA ASP 36 HA ASP 36 10.670 11.765 -0.732 276 HB2 ASP 36 1HB ASP 36 13.699 11.617 -0.433 277 HB3 ASP 36 2HB ASP 36 12.947 12.404 -1.815 278 H GLY 37 H GLY 37 10.457 11.370 -2.883 279 HA2 GLY 37 1HA GLY 37 10.751 10.231 -4.921 280 HA3 GLY 37 2HA GLY 37 11.569 8.916 -4.085 281 H GLY 38 H GLY 38 9.669 8.311 -5.916 282 HA2 GLY 38 1HA GLY 38 7.071 7.812 -4.690 283 HA3 GLY 38 2HA GLY 38 7.582 7.380 -6.313 284 H TRP 39 H TRP 39 8.698 6.604 -3.028 285 HA TRP 39 HA TRP 39 8.309 3.728 -3.442 286 HB2 TRP 39 1HB TRP 39 10.641 4.141 -4.176 287 HB3 TRP 39 2HB TRP 39 10.986 4.996 -2.676 288 HD1 TRP 39 HD1 TRP 39 12.034 3.533 -0.798 289 HE1 TRP 39 HE1 TRP 39 12.311 1.013 -0.380 290 HE3 TRP 39 HE3 TRP 39 9.251 1.736 -4.705 291 HZ2 TRP 39 HZ2 TRP 39 11.470 -1.412 -1.533 292 HZ3 TRP 39 HZ3 TRP 39 9.035 -0.701 -4.974 293 HH2 TRP 39 HH2 TRP 39 10.130 -2.237 -3.422 294 H TRP 40 H TRP 40 7.140 3.150 -1.744 295 HA TRP 40 HA TRP 40 7.708 4.191 0.956 296 HB2 TRP 40 1HB TRP 40 4.948 4.056 -0.373 297 HB3 TRP 40 2HB TRP 40 5.208 4.376 1.342 298 HD1 TRP 40 HD1 TRP 40 6.637 6.698 1.894 299 HE1 TRP 40 HE1 TRP 40 6.607 8.960 0.692 300 HE3 TRP 40 HE3 TRP 40 4.586 5.238 -2.558 301 HZ2 TRP 40 HZ2 TRP 40 5.819 10.012 -1.774 302 HZ3 TRP 40 HZ3 TRP 40 4.219 6.954 -4.281 303 HH2 TRP 40 HH2 TRP 40 4.824 9.293 -3.906 304 H GLU 41 H GLU 41 7.466 2.682 2.563 305 HA GLU 41 HA GLU 41 6.636 -0.046 1.834 306 HB2 GLU 41 1HB GLU 41 8.754 0.158 3.102 307 HB3 GLU 41 2HB GLU 41 7.928 1.040 4.385 308 HG2 GLU 41 1HG GLU 41 6.652 -0.914 5.015 309 HG3 GLU 41 2HG GLU 41 7.227 -1.802 3.603 310 H GLY 42 H GLY 42 4.562 -0.495 2.065 311 HA2 GLY 42 1HA GLY 42 2.868 0.973 4.013 312 HA3 GLY 42 2HA GLY 42 2.310 0.212 2.525 313 H GLU 43 H GLU 43 1.598 -0.188 5.422 314 HA GLU 43 HA GLU 43 2.125 -3.095 5.607 315 HB2 GLU 43 1HB GLU 43 3.106 -1.657 7.446 316 HB3 GLU 43 2HB GLU 43 1.470 -1.202 7.912 317 HG2 GLU 43 1HG GLU 43 0.942 -3.531 8.432 318 HG3 GLU 43 2HG GLU 43 2.527 -4.054 7.870 319 H LYS 44 H LYS 44 0.437 -4.382 5.640 320 HA LYS 44 HA LYS 44 -2.292 -3.595 5.363 321 HB2 LYS 44 1HB LYS 44 -1.061 -6.329 6.032 322 HB3 LYS 44 2HB LYS 44 -2.736 -6.062 5.550 323 HG2 LYS 44 1HG LYS 44 -0.303 -5.495 3.810 324 HG3 LYS 44 2HG LYS 44 -1.313 -6.939 3.701 325 HD2 LYS 44 1HD LYS 44 -2.276 -4.087 3.231 326 HD3 LYS 44 2HD LYS 44 -1.845 -5.229 1.955 327 HE2 LYS 44 1HE LYS 44 -3.690 -6.683 2.540 328 HE3 LYS 44 2HE LYS 44 -4.029 -5.754 4.002 329 HZ1 LYS 44 3HZ LYS 44 -4.602 -3.866 2.598 330 HZ2 LYS 44 1HZ LYS 44 -5.580 -5.210 2.290 331 HZ3 LYS 44 2HZ LYS 44 -4.344 -4.805 1.216 332 H GLU 45 H GLU 45 -3.972 -4.318 6.868 333 HA GLU 45 HA GLU 45 -3.666 -3.321 9.485 334 HB2 GLU 45 1HB GLU 45 -5.998 -4.144 9.812 335 HB3 GLU 45 2HB GLU 45 -5.802 -3.234 8.317 336 HG2 GLU 45 1HG GLU 45 -5.687 -5.381 7.050 337 HG3 GLU 45 2HG GLU 45 -5.939 -6.268 8.550 338 H ASP 46 H ASP 46 -2.837 -6.369 8.260 339 HA ASP 46 HA ASP 46 -3.218 -7.930 10.690 340 HB2 ASP 46 1HB ASP 46 -1.823 -8.720 8.096 341 HB3 ASP 46 2HB ASP 46 -2.417 -9.806 9.352 342 H GLY 47 H GLY 47 -0.867 -5.766 9.670 343 HA2 GLY 47 1HA GLY 47 1.178 -5.293 10.732 344 HA3 GLY 47 2HA GLY 47 1.225 -6.922 11.390 345 H LEU 48 H LEU 48 0.413 -7.256 8.223 346 HA LEU 48 HA LEU 48 3.056 -8.150 7.424 347 HB2 LEU 48 1HB LEU 48 0.406 -8.152 5.909 348 HB3 LEU 48 2HB LEU 48 1.878 -8.964 5.384 349 HG LEU 48 HG LEU 48 0.279 -9.666 7.885 350 HD11 LEU 48 1HD1 LEU 48 -0.957 -10.257 5.869 351 HD12 LEU 48 2HD1 LEU 48 -0.394 -11.704 6.696 352 HD13 LEU 48 3HD1 LEU 48 0.432 -11.150 5.238 353 HD21 LEU 48 3HD2 LEU 48 1.744 -11.653 8.044 354 HD22 LEU 48 1HD2 LEU 48 2.644 -10.148 8.215 355 HD23 LEU 48 2HD2 LEU 48 2.716 -11.048 6.698 356 H ARG 49 H ARG 49 4.424 -6.512 6.835 357 HA ARG 49 HA ARG 49 3.443 -4.299 5.132 358 HB2 ARG 49 1HB ARG 49 5.510 -3.104 5.772 359 HB3 ARG 49 2HB ARG 49 4.579 -3.576 7.189 360 HG2 ARG 49 1HG ARG 49 6.125 -5.494 7.535 361 HG3 ARG 49 2HG ARG 49 7.080 -4.951 6.153 362 HD2 ARG 49 1HD ARG 49 7.557 -2.831 7.310 363 HD3 ARG 49 2HD ARG 49 6.586 -3.356 8.691 364 HE ARG 49 HE ARG 49 8.375 -5.324 8.594 365 HH11 ARG 49 1HH1 ARG 49 8.980 -1.876 8.193 366 HH12 ARG 49 2HH1 ARG 49 10.498 -1.931 9.028 367 HH21 ARG 49 1HH2 ARG 49 10.360 -5.355 9.711 368 HH22 ARG 49 2HH2 ARG 49 11.278 -3.894 9.882 369 H GLY 50 H GLY 50 4.732 -3.652 3.307 370 HA2 GLY 50 1HA GLY 50 6.650 -5.513 2.166 371 HA3 GLY 50 2HA GLY 50 5.062 -5.527 1.404 372 H TRP 51 H TRP 51 6.804 -4.993 -0.283 373 HA TRP 51 HA TRP 51 7.657 -2.261 -0.504 374 HB2 TRP 51 1HB TRP 51 8.383 -3.038 -2.846 375 HB3 TRP 51 2HB TRP 51 9.128 -3.857 -1.482 376 HD1 TRP 51 HD1 TRP 51 8.516 -6.470 -1.126 377 HE1 TRP 51 HE1 TRP 51 7.571 -8.241 -2.720 378 HE3 TRP 51 HE3 TRP 51 6.719 -3.393 -4.822 379 HZ2 TRP 51 HZ2 TRP 51 6.236 -8.350 -5.191 380 HZ3 TRP 51 HZ3 TRP 51 5.622 -4.423 -6.777 381 HH2 TRP 51 HH2 TRP 51 5.393 -6.854 -6.949 382 H PHE 52 H PHE 52 6.601 -0.610 -1.425 383 HA PHE 52 HA PHE 52 4.324 -1.062 -3.240 384 HB2 PHE 52 1HB PHE 52 4.313 0.615 -0.697 385 HB3 PHE 52 2HB PHE 52 3.201 0.963 -2.014 386 HD1 PHE 52 HD1 PHE 52 4.043 -1.448 0.656 387 HD2 PHE 52 HD2 PHE 52 1.348 -0.538 -2.525 388 HE1 PHE 52 HE1 PHE 52 2.472 -3.140 1.492 389 HE2 PHE 52 HE2 PHE 52 -0.223 -2.227 -1.679 390 HZ PHE 52 HZ PHE 52 0.337 -3.534 0.330 391 HA PRO 53 HA PRO 53 6.869 2.203 -5.296 392 HB2 PRO 53 1HB PRO 53 5.847 0.879 -7.760 393 HB3 PRO 53 2HB PRO 53 7.515 1.205 -7.278 394 HG2 PRO 53 1HG PRO 53 6.498 -1.309 -7.320 395 HG3 PRO 53 2HG PRO 53 7.729 -0.813 -6.136 396 HD2 PRO 53 1HD PRO 53 4.733 -1.060 -5.776 397 HD3 PRO 53 2HD PRO 53 6.049 -1.600 -4.702 398 H ALA 54 H ALA 54 5.987 4.050 -6.275 399 HA ALA 54 HA ALA 54 3.294 4.684 -5.726 400 HB1 ALA 54 3HB ALA 54 5.105 6.351 -5.764 401 HB2 ALA 54 1HB ALA 54 3.765 6.836 -6.805 402 HB3 ALA 54 2HB ALA 54 5.243 6.176 -7.514 403 H SER 55 H SER 55 4.735 3.224 -8.504 404 HA SER 55 HA SER 55 2.922 3.859 -10.552 405 HB2 SER 55 1HB SER 55 4.524 1.292 -10.171 406 HB3 SER 55 2HB SER 55 3.853 1.880 -11.700 407 HG SER 55 HG SER 55 5.200 3.865 -11.145 408 H TYR 56 H TYR 56 2.690 1.567 -7.894 409 HA TYR 56 HA TYR 56 0.267 0.280 -8.993 410 HB2 TYR 56 1HB TYR 56 1.989 -0.445 -6.573 411 HB3 TYR 56 2HB TYR 56 0.575 -1.346 -7.113 412 HD1 TYR 56 HD2 TYR 56 4.090 -0.517 -7.905 413 HD2 TYR 56 HD1 TYR 56 0.685 -2.820 -9.080 414 HE1 TYR 56 HE2 TYR 56 5.514 -1.882 -9.376 415 HE2 TYR 56 HE1 TYR 56 2.110 -4.179 -10.547 416 HH TYR 56 HH TYR 56 5.496 -4.147 -10.366 417 H VAL 57 H VAL 57 1.303 2.529 -6.511 418 HA VAL 57 HA VAL 57 -1.450 2.753 -5.482 419 HB VAL 57 HB VAL 57 -0.632 2.880 -3.123 420 HG11 VAL 57 1HG1 VAL 57 -1.629 0.783 -3.911 421 HG12 VAL 57 2HG1 VAL 57 -0.361 0.457 -2.733 422 HG13 VAL 57 3HG1 VAL 57 -0.051 0.208 -4.453 423 HG21 VAL 57 3HG2 VAL 57 1.626 1.997 -2.520 424 HG22 VAL 57 1HG2 VAL 57 1.723 3.472 -3.487 425 HG23 VAL 57 2HG2 VAL 57 2.034 1.904 -4.234 426 H GLN 58 H GLN 58 -2.078 4.814 -5.005 427 HA GLN 58 HA GLN 58 -0.047 6.961 -4.772 428 HB2 GLN 58 1HB GLN 58 -2.666 7.056 -6.334 429 HB3 GLN 58 2HB GLN 58 -1.755 8.498 -5.879 430 HG2 GLN 58 1HG GLN 58 0.180 7.664 -7.185 431 HG3 GLN 58 2HG GLN 58 -0.774 6.261 -7.663 432 HE21 GLN 58 2HE2 GLN 58 -0.411 9.729 -8.003 433 HE22 GLN 58 1HE2 GLN 58 -1.379 9.891 -9.427 434 H LEU 59 H LEU 59 -0.370 8.367 -3.097 435 HA LEU 59 HA LEU 59 -2.200 7.447 -1.073 436 HB2 LEU 59 1HB LEU 59 -1.009 9.194 0.390 437 HB3 LEU 59 2HB LEU 59 -0.114 7.781 -0.104 438 HG LEU 59 HG LEU 59 0.186 10.291 -1.764 439 HD11 LEU 59 1HD1 LEU 59 1.950 11.146 -0.300 440 HD12 LEU 59 2HD1 LEU 59 1.617 9.888 0.893 441 HD13 LEU 59 3HD1 LEU 59 0.402 11.123 0.543 442 HD21 LEU 59 3HD2 LEU 59 2.468 9.435 -2.073 443 HD22 LEU 59 1HD2 LEU 59 1.278 8.200 -2.482 444 HD23 LEU 59 2HD2 LEU 59 2.144 8.109 -0.948 445 H LEU 60 H LEU 60 -3.779 8.540 -0.060 446 HA LEU 60 HA LEU 60 -5.090 10.673 -1.557 447 HB2 LEU 60 1HB LEU 60 -6.053 8.972 0.793 448 HB3 LEU 60 2HB LEU 60 -7.055 10.094 -0.123 449 HG LEU 60 HG LEU 60 -5.771 7.565 -1.255 450 HD11 LEU 60 1HD1 LEU 60 -8.044 6.620 -1.326 451 HD12 LEU 60 2HD1 LEU 60 -8.674 8.049 -0.501 452 HD13 LEU 60 3HD1 LEU 60 -7.535 6.980 0.324 453 HD21 LEU 60 3HD2 LEU 60 -7.722 9.499 -2.559 454 HD22 LEU 60 1HD2 LEU 60 -7.162 7.973 -3.252 455 HD23 LEU 60 2HD2 LEU 60 -6.020 9.283 -2.977 Start of MODEL 19 1 H1 MET 1 1H MET 1 -0.926 12.506 13.611 2 H2 MET 1 2H MET 1 -0.332 13.122 12.153 3 H3 MET 1 3H MET 1 -1.240 11.697 12.160 4 HA MET 1 HA MET 1 -3.186 12.888 12.918 5 HB2 MET 1 1HB MET 1 -1.409 15.348 12.588 6 HB3 MET 1 2HB MET 1 -3.138 15.393 12.913 7 HG2 MET 1 1HG MET 1 -2.802 14.351 15.082 8 HG3 MET 1 2HG MET 1 -1.075 14.162 14.764 9 HE1 MET 1 3HE MET 1 -2.332 15.572 17.402 10 HE2 MET 1 1HE MET 1 -1.200 16.915 17.575 11 HE3 MET 1 2HE MET 1 -0.608 15.314 17.130 12 H SER 2 H SER 2 -0.793 13.724 10.459 13 HA SER 2 HA SER 2 -2.674 14.171 8.335 14 HB2 SER 2 1HB SER 2 0.298 13.423 8.210 15 HB3 SER 2 2HB SER 2 -0.668 14.021 6.857 16 HG SER 2 HG SER 2 0.390 15.369 9.035 17 H GLY 3 H GLY 3 -3.299 12.686 6.720 18 HA2 GLY 3 1HA GLY 3 -3.544 9.912 7.473 19 HA3 GLY 3 2HA GLY 3 -4.150 10.662 6.007 20 H ALA 4 H ALA 4 -1.143 9.528 7.542 21 HA ALA 4 HA ALA 4 0.382 9.348 5.118 22 HB1 ALA 4 3HB ALA 4 2.072 8.202 6.512 23 HB2 ALA 4 1HB ALA 4 0.914 8.075 7.839 24 HB3 ALA 4 2HB ALA 4 1.483 9.660 7.312 25 H ARG 5 H ARG 5 -1.182 8.244 3.849 26 HA ARG 5 HA ARG 5 -0.997 5.412 3.747 27 HB2 ARG 5 1HB ARG 5 -3.389 4.877 4.135 28 HB3 ARG 5 2HB ARG 5 -2.620 5.513 5.570 29 HG2 ARG 5 1HG ARG 5 -4.673 6.598 5.658 30 HG3 ARG 5 2HG ARG 5 -3.699 7.811 4.830 31 HD2 ARG 5 1HD ARG 5 -4.634 7.078 2.671 32 HD3 ARG 5 2HD ARG 5 -5.554 5.816 3.494 33 HE ARG 5 HE ARG 5 -5.986 8.712 3.967 34 HH11 ARG 5 1HH1 ARG 5 -7.309 5.485 3.520 35 HH12 ARG 5 2HH1 ARG 5 -8.949 6.028 3.554 36 HH21 ARG 5 1HH2 ARG 5 -8.136 9.397 4.008 37 HH22 ARG 5 2HH2 ARG 5 -9.413 8.245 3.826 38 H CYS 6 H CYS 6 -2.304 4.533 1.968 39 HA CYS 6 HA CYS 6 -3.267 6.425 -0.064 40 HB2 CYS 6 1HB CYS 6 -1.077 4.356 -0.587 41 HB3 CYS 6 2HB CYS 6 -1.847 5.363 -1.813 42 HG CYS 6 HG CYS 6 -0.874 7.646 0.026 43 H ARG 7 H ARG 7 -4.358 5.196 -1.896 44 HA ARG 7 HA ARG 7 -5.461 2.566 -1.022 45 HB2 ARG 7 1HB ARG 7 -6.860 4.736 -2.660 46 HB3 ARG 7 2HB ARG 7 -7.514 3.126 -2.344 47 HG2 ARG 7 1HG ARG 7 -7.556 3.624 0.083 48 HG3 ARG 7 2HG ARG 7 -6.911 5.232 -0.249 49 HD2 ARG 7 1HD ARG 7 -9.598 4.143 -1.173 50 HD3 ARG 7 2HD ARG 7 -9.332 5.339 0.098 51 HE ARG 7 HE ARG 7 -8.306 6.081 -2.513 52 HH11 ARG 7 1HH1 ARG 7 -11.092 6.305 -0.392 53 HH12 ARG 7 2HH1 ARG 7 -11.775 7.646 -1.246 54 HH21 ARG 7 1HH2 ARG 7 -9.225 7.802 -3.636 55 HH22 ARG 7 2HH2 ARG 7 -10.719 8.489 -3.086 56 H THR 8 H THR 8 -5.273 0.905 -2.433 57 HA THR 8 HA THR 8 -3.635 1.192 -4.785 58 HB THR 8 HB THR 8 -4.286 -1.330 -5.115 59 HG1 THR 8 HG1 THR 8 -5.185 -2.296 -3.302 60 HG21 THR 8 3HG2 THR 8 -2.105 -0.650 -4.200 61 HG22 THR 8 1HG2 THR 8 -2.730 -2.066 -3.354 62 HG23 THR 8 2HG2 THR 8 -2.812 -0.480 -2.593 63 H LEU 9 H LEU 9 -4.314 1.830 -6.692 64 HA LEU 9 HA LEU 9 -7.036 1.324 -7.657 65 HB2 LEU 9 1HB LEU 9 -6.094 2.657 -9.720 66 HB3 LEU 9 2HB LEU 9 -6.501 3.490 -8.238 67 HG LEU 9 HG LEU 9 -4.037 3.483 -7.626 68 HD11 LEU 9 1HD1 LEU 9 -3.632 2.579 -10.488 69 HD12 LEU 9 2HD1 LEU 9 -3.253 1.650 -9.033 70 HD13 LEU 9 3HD1 LEU 9 -2.373 3.134 -9.381 71 HD21 LEU 9 3HD2 LEU 9 -5.119 5.483 -8.527 72 HD22 LEU 9 1HD2 LEU 9 -4.782 4.948 -10.177 73 HD23 LEU 9 2HD2 LEU 9 -3.454 5.362 -9.088 74 H TYR 10 H TYR 10 -3.916 -0.066 -7.796 75 HA TYR 10 HA TYR 10 -4.749 -1.959 -9.913 76 HB2 TYR 10 1HB TYR 10 -2.022 -1.111 -8.896 77 HB3 TYR 10 2HB TYR 10 -2.204 -2.723 -9.580 78 HD1 TYR 10 HD1 TYR 10 -3.426 -2.823 -11.946 79 HD2 TYR 10 HD2 TYR 10 -1.469 0.645 -10.401 80 HE1 TYR 10 HE1 TYR 10 -3.168 -1.951 -14.227 81 HE2 TYR 10 HE2 TYR 10 -1.223 1.521 -12.683 82 HH TYR 10 HH TYR 10 -2.868 0.211 -15.343 83 HA PRO 11 HA PRO 11 -4.963 -5.111 -6.571 84 HB2 PRO 11 1HB PRO 11 -6.452 -6.914 -7.910 85 HB3 PRO 11 2HB PRO 11 -7.187 -5.454 -7.233 86 HG2 PRO 11 1HG PRO 11 -6.371 -6.020 -10.074 87 HG3 PRO 11 2HG PRO 11 -7.849 -5.242 -9.473 88 HD2 PRO 11 1HD PRO 11 -5.639 -3.851 -10.431 89 HD3 PRO 11 2HD PRO 11 -6.827 -3.168 -9.299 90 H PHE 12 H PHE 12 -2.576 -4.746 -7.866 91 HA PHE 12 HA PHE 12 -1.932 -7.050 -9.565 92 HB2 PHE 12 1HB PHE 12 -1.232 -4.655 -10.150 93 HB3 PHE 12 2HB PHE 12 -0.102 -4.720 -8.802 94 HD1 PHE 12 HD1 PHE 12 -0.920 -6.156 -12.135 95 HD2 PHE 12 HD2 PHE 12 2.018 -5.894 -9.047 96 HE1 PHE 12 HE1 PHE 12 0.749 -7.148 -13.636 97 HE2 PHE 12 HE2 PHE 12 3.683 -6.890 -10.552 98 HZ PHE 12 HZ PHE 12 3.054 -7.519 -12.847 99 H SER 13 H SER 13 -1.418 -8.812 -8.526 100 HA SER 13 HA SER 13 -0.655 -9.001 -5.786 101 HB2 SER 13 1HB SER 13 -2.036 -10.712 -6.918 102 HB3 SER 13 2HB SER 13 -0.711 -11.079 -8.019 103 HG SER 13 HG SER 13 0.465 -11.581 -5.935 104 H GLY 14 H GLY 14 1.133 -8.635 -8.716 105 HA2 GLY 14 1HA GLY 14 3.399 -8.458 -9.130 106 HA3 GLY 14 2HA GLY 14 3.720 -8.786 -7.432 107 H GLU 15 H GLU 15 3.735 -10.924 -6.705 108 HA GLU 15 HA GLU 15 3.252 -13.246 -8.241 109 HB2 GLU 15 1HB GLU 15 5.537 -14.132 -8.461 110 HB3 GLU 15 2HB GLU 15 5.410 -12.624 -9.357 111 HG2 GLU 15 1HG GLU 15 6.578 -11.424 -7.580 112 HG3 GLU 15 2HG GLU 15 6.627 -12.877 -6.584 113 H ARG 16 H ARG 16 3.651 -15.186 -6.949 114 HA ARG 16 HA ARG 16 3.982 -14.721 -4.068 115 HB2 ARG 16 1HB ARG 16 3.321 -17.105 -3.815 116 HB3 ARG 16 2HB ARG 16 2.128 -16.161 -4.684 117 HG2 ARG 16 1HG ARG 16 2.096 -18.058 -5.986 118 HG3 ARG 16 2HG ARG 16 3.365 -17.174 -6.831 119 HD2 ARG 16 1HD ARG 16 5.060 -18.460 -5.505 120 HD3 ARG 16 2HD ARG 16 3.742 -19.389 -4.785 121 HE ARG 16 HE ARG 16 3.354 -19.696 -7.463 122 HH11 ARG 16 1HH1 ARG 16 6.136 -20.277 -5.377 123 HH12 ARG 16 2HH1 ARG 16 6.761 -21.542 -6.384 124 HH21 ARG 16 1HH2 ARG 16 4.206 -21.328 -8.751 125 HH22 ARG 16 2HH2 ARG 16 5.659 -22.142 -8.281 126 H HIS 17 H HIS 17 5.820 -15.214 -3.014 127 HA HIS 17 HA HIS 17 7.994 -16.697 -4.331 128 HB2 HIS 17 1HB HIS 17 8.469 -14.394 -4.940 129 HB3 HIS 17 2HB HIS 17 8.187 -13.824 -3.301 130 HD2 HIS 17 HD2 HIS 17 10.872 -16.122 -5.123 131 HE1 HIS 17 HE1 HIS 17 12.642 -14.167 -1.814 132 HE2 HIS 17 HE2 HIS 17 12.999 -15.861 -3.665 133 H GLY 18 H GLY 18 7.359 -14.755 -1.353 134 HA2 GLY 18 1HA GLY 18 7.710 -17.042 0.393 135 HA3 GLY 18 2HA GLY 18 9.104 -15.970 0.382 136 H GLN 19 H GLN 19 5.579 -15.957 0.765 137 HA GLN 19 HA GLN 19 4.169 -15.075 2.279 138 HB2 GLN 19 1HB GLN 19 6.735 -14.867 3.889 139 HB3 GLN 19 2HB GLN 19 5.216 -14.272 4.535 140 HG2 GLN 19 1HG GLN 19 5.754 -16.526 5.352 141 HG3 GLN 19 2HG GLN 19 4.243 -16.502 4.439 142 HE21 GLN 19 2HE2 GLN 19 4.155 -17.576 2.436 143 HE22 GLN 19 1HE2 GLN 19 5.353 -18.722 1.956 144 H GLY 20 H GLY 20 5.536 -13.368 0.225 145 HA2 GLY 20 1HA GLY 20 5.883 -10.730 1.119 146 HA3 GLY 20 2HA GLY 20 5.502 -11.228 -0.520 147 H LEU 21 H LEU 21 4.521 -8.883 0.423 148 HA LEU 21 HA LEU 21 1.761 -9.245 1.355 149 HB2 LEU 21 1HB LEU 21 3.128 -7.468 2.383 150 HB3 LEU 21 2HB LEU 21 3.430 -6.739 0.815 151 HG LEU 21 HG LEU 21 1.092 -6.037 0.628 152 HD11 LEU 21 1HD1 LEU 21 -0.015 -7.933 1.715 153 HD12 LEU 21 2HD1 LEU 21 -0.554 -6.406 2.402 154 HD13 LEU 21 3HD1 LEU 21 0.600 -7.407 3.285 155 HD21 LEU 21 3HD2 LEU 21 2.615 -4.532 1.833 156 HD22 LEU 21 1HD2 LEU 21 2.226 -5.334 3.360 157 HD23 LEU 21 2HD2 LEU 21 0.984 -4.426 2.493 158 H ARG 22 H ARG 22 0.070 -9.201 0.030 159 HA ARG 22 HA ARG 22 0.295 -8.312 -2.793 160 HB2 ARG 22 1HB ARG 22 -1.414 -10.540 -1.579 161 HB3 ARG 22 2HB ARG 22 -1.706 -9.886 -3.184 162 HG2 ARG 22 1HG ARG 22 -0.522 -11.945 -3.436 163 HG3 ARG 22 2HG ARG 22 0.581 -10.643 -3.866 164 HD2 ARG 22 1HD ARG 22 1.609 -12.517 -2.512 165 HD3 ARG 22 2HD ARG 22 1.811 -10.910 -1.822 166 HE ARG 22 HE ARG 22 0.601 -11.542 -0.009 167 HH11 ARG 22 1HH1 ARG 22 -0.014 -13.953 -2.484 168 HH12 ARG 22 2HH1 ARG 22 -0.895 -14.986 -1.412 169 HH21 ARG 22 1HH2 ARG 22 -0.536 -12.926 1.373 170 HH22 ARG 22 2HH2 ARG 22 -1.205 -14.398 0.749 171 H PHE 23 H PHE 23 -1.772 -7.416 -3.676 172 HA PHE 23 HA PHE 23 -3.598 -6.264 -1.652 173 HB2 PHE 23 1HB PHE 23 -2.162 -4.701 -3.843 174 HB3 PHE 23 2HB PHE 23 -3.529 -4.068 -2.938 175 HD1 PHE 23 HD2 PHE 23 -3.081 -4.612 -0.184 176 HD2 PHE 23 HD1 PHE 23 -0.176 -3.649 -3.173 177 HE1 PHE 23 HE2 PHE 23 -1.588 -3.713 1.546 178 HE2 PHE 23 HE1 PHE 23 1.301 -2.750 -1.431 179 HZ PHE 23 HZ PHE 23 0.602 -2.780 0.922 180 H ALA 24 H ALA 24 -5.678 -6.210 -2.235 181 HA ALA 24 HA ALA 24 -6.593 -6.746 -4.974 182 HB1 ALA 24 3HB ALA 24 -8.854 -6.763 -3.958 183 HB2 ALA 24 1HB ALA 24 -8.155 -6.303 -2.398 184 HB3 ALA 24 2HB ALA 24 -7.762 -7.865 -3.118 185 H ALA 25 H ALA 25 -8.418 -5.191 -5.768 186 HA ALA 25 HA ALA 25 -7.437 -2.476 -5.798 187 HB1 ALA 25 3HB ALA 25 -10.047 -3.590 -6.904 188 HB2 ALA 25 1HB ALA 25 -8.525 -3.463 -7.793 189 HB3 ALA 25 2HB ALA 25 -9.364 -2.004 -7.263 190 H GLY 26 H GLY 26 -7.757 -1.078 -4.143 191 HA2 GLY 26 1HA GLY 26 -9.299 0.390 -2.993 192 HA3 GLY 26 2HA GLY 26 -10.411 -0.954 -2.789 193 H GLU 27 H GLU 27 -7.052 -1.577 -2.213 194 HA GLU 27 HA GLU 27 -7.444 -2.157 0.561 195 HB2 GLU 27 1HB GLU 27 -4.899 -2.014 -1.112 196 HB3 GLU 27 2HB GLU 27 -4.945 -2.551 0.567 197 HG2 GLU 27 1HG GLU 27 -6.700 -3.915 -1.463 198 HG3 GLU 27 2HG GLU 27 -4.983 -4.279 -1.422 199 H LEU 28 H LEU 28 -6.543 -1.154 2.361 200 HA LEU 28 HA LEU 28 -5.831 1.712 2.092 201 HB2 LEU 28 1HB LEU 28 -6.813 0.159 4.538 202 HB3 LEU 28 2HB LEU 28 -6.544 1.895 4.451 203 HG LEU 28 HG LEU 28 -8.648 0.397 2.829 204 HD11 LEU 28 1HD1 LEU 28 -10.317 1.375 4.316 205 HD12 LEU 28 2HD1 LEU 28 -9.044 2.077 5.319 206 HD13 LEU 28 3HD1 LEU 28 -9.209 0.323 5.195 207 HD21 LEU 28 3HD2 LEU 28 -7.901 2.443 1.694 208 HD22 LEU 28 1HD2 LEU 28 -8.235 3.397 3.143 209 HD23 LEU 28 2HD2 LEU 28 -9.556 2.615 2.269 210 H ILE 29 H ILE 29 -3.629 1.926 2.061 211 HA ILE 29 HA ILE 29 -1.925 -0.019 3.513 212 HB ILE 29 HB ILE 29 -1.104 1.950 1.295 213 HG12 ILE 29 1HG1 ILE 29 -0.787 -0.234 -0.086 214 HG13 ILE 29 2HG1 ILE 29 -1.807 -1.008 1.112 215 HG21 ILE 29 1HG2 ILE 29 0.770 1.431 2.787 216 HG22 ILE 29 2HG2 ILE 29 1.025 0.674 1.218 217 HG23 ILE 29 3HG2 ILE 29 0.496 -0.306 2.586 218 HD11 ILE 29 3HD1 ILE 29 -3.635 0.496 0.498 219 HD12 ILE 29 1HD1 ILE 29 -3.033 -0.431 -0.874 220 HD13 ILE 29 2HD1 ILE 29 -2.591 1.267 -0.700 221 H THR 30 H THR 30 -1.563 0.795 5.559 222 HA THR 30 HA THR 30 -1.135 3.601 6.114 223 HB THR 30 HB THR 30 -0.497 1.205 7.904 224 HG1 THR 30 HG1 THR 30 -2.633 1.159 7.688 225 HG21 THR 30 3HG2 THR 30 -0.569 2.848 9.756 226 HG22 THR 30 1HG2 THR 30 -0.828 4.154 8.597 227 HG23 THR 30 2HG2 THR 30 0.697 3.269 8.602 228 H LEU 31 H LEU 31 0.609 4.543 5.253 229 HA LEU 31 HA LEU 31 3.031 3.263 4.558 230 HB2 LEU 31 1HB LEU 31 2.525 6.239 5.001 231 HB3 LEU 31 2HB LEU 31 3.883 5.542 4.122 232 HG LEU 31 HG LEU 31 0.954 5.386 3.257 233 HD11 LEU 31 1HD1 LEU 31 1.599 6.903 1.439 234 HD12 LEU 31 2HD1 LEU 31 3.230 7.031 2.101 235 HD13 LEU 31 3HD1 LEU 31 1.852 7.647 3.020 236 HD21 LEU 31 3HD2 LEU 31 2.156 3.377 2.536 237 HD22 LEU 31 1HD2 LEU 31 3.442 4.362 1.834 238 HD23 LEU 31 2HD2 LEU 31 1.816 4.406 1.147 239 H LEU 32 H LEU 32 4.676 2.678 5.802 240 HA LEU 32 HA LEU 32 4.780 3.113 8.634 241 HB2 LEU 32 1HB LEU 32 6.914 1.906 6.814 242 HB3 LEU 32 2HB LEU 32 6.766 1.678 8.555 243 HG LEU 32 HG LEU 32 4.792 0.650 6.470 244 HD11 LEU 32 1HD1 LEU 32 6.821 -0.911 8.093 245 HD12 LEU 32 2HD1 LEU 32 6.905 -0.568 6.361 246 HD13 LEU 32 3HD1 LEU 32 5.613 -1.585 6.994 247 HD21 LEU 32 3HD2 LEU 32 3.653 1.158 8.572 248 HD22 LEU 32 1HD2 LEU 32 4.822 0.185 9.467 249 HD23 LEU 32 2HD2 LEU 32 3.728 -0.583 8.315 250 H GLN 33 H GLN 33 6.715 4.099 5.832 251 HA GLN 33 HA GLN 33 7.617 6.544 7.243 252 HB2 GLN 33 1HB GLN 33 9.165 4.863 5.207 253 HB3 GLN 33 2HB GLN 33 9.670 6.458 5.748 254 HG2 GLN 33 1HG GLN 33 9.363 4.060 7.585 255 HG3 GLN 33 2HG GLN 33 10.881 4.544 6.827 256 HE21 GLN 33 2HE2 GLN 33 8.519 5.352 9.275 257 HE22 GLN 33 1HE2 GLN 33 9.466 6.537 10.087 258 H VAL 34 H VAL 34 7.770 8.409 5.842 259 HA VAL 34 HA VAL 34 6.399 8.223 3.224 260 HB VAL 34 HB VAL 34 5.474 10.599 3.714 261 HG11 VAL 34 1HG1 VAL 34 3.996 8.631 3.637 262 HG12 VAL 34 2HG1 VAL 34 3.468 9.737 4.905 263 HG13 VAL 34 3HG1 VAL 34 4.354 8.269 5.325 264 HG21 VAL 34 3HG2 VAL 34 6.845 11.120 5.705 265 HG22 VAL 34 1HG2 VAL 34 6.082 9.800 6.592 266 HG23 VAL 34 2HG2 VAL 34 5.126 11.202 6.100 267 HA PRO 35 HA PRO 35 10.468 10.402 2.403 268 HB2 PRO 35 1HB PRO 35 11.211 8.836 0.279 269 HB3 PRO 35 2HB PRO 35 11.626 8.429 1.952 270 HG2 PRO 35 1HG PRO 35 9.337 7.403 0.270 271 HG3 PRO 35 2HG PRO 35 10.480 6.481 1.274 272 HD2 PRO 35 1HD PRO 35 8.011 7.096 2.171 273 HD3 PRO 35 2HD PRO 35 9.402 7.071 3.271 274 H ASP 36 H ASP 36 10.962 11.540 0.384 275 HA ASP 36 HA ASP 36 8.621 12.672 -0.856 276 HB2 ASP 36 1HB ASP 36 10.545 14.097 -0.170 277 HB3 ASP 36 2HB ASP 36 11.591 13.241 -1.296 278 H GLY 37 H GLY 37 7.739 10.991 -2.079 279 HA2 GLY 37 1HA GLY 37 7.192 10.165 -4.152 280 HA3 GLY 37 2HA GLY 37 8.669 10.845 -4.814 281 H GLY 38 H GLY 38 8.541 8.760 -5.989 282 HA2 GLY 38 1HA GLY 38 9.631 6.855 -6.557 283 HA3 GLY 38 2HA GLY 38 10.633 7.072 -5.137 284 H TRP 39 H TRP 39 10.255 5.821 -3.358 285 HA TRP 39 HA TRP 39 8.229 3.663 -3.573 286 HB2 TRP 39 1HB TRP 39 11.103 3.436 -2.541 287 HB3 TRP 39 2HB TRP 39 9.926 2.128 -2.614 288 HD1 TRP 39 HD1 TRP 39 12.017 4.373 -4.997 289 HE1 TRP 39 HE1 TRP 39 12.380 3.084 -7.180 290 HE3 TRP 39 HE3 TRP 39 9.106 0.268 -4.040 291 HZ2 TRP 39 HZ2 TRP 39 11.570 0.668 -8.365 292 HZ3 TRP 39 HZ3 TRP 39 8.964 -1.490 -5.758 293 HH2 TRP 39 HH2 TRP 39 10.173 -1.292 -7.874 294 H TRP 40 H TRP 40 7.205 3.113 -1.692 295 HA TRP 40 HA TRP 40 8.023 4.354 0.883 296 HB2 TRP 40 1HB TRP 40 5.190 3.802 -0.165 297 HB3 TRP 40 2HB TRP 40 5.546 4.230 1.505 298 HD1 TRP 40 HD1 TRP 40 5.877 6.790 2.054 299 HE1 TRP 40 HE1 TRP 40 5.677 8.947 0.673 300 HE3 TRP 40 HE3 TRP 40 5.563 4.735 -2.609 301 HZ2 TRP 40 HZ2 TRP 40 5.394 9.686 -2.033 302 HZ3 TRP 40 HZ3 TRP 40 5.325 6.231 -4.540 303 HH2 TRP 40 HH2 TRP 40 5.239 8.656 -4.263 304 H GLU 41 H GLU 41 8.111 2.964 2.618 305 HA GLU 41 HA GLU 41 7.349 0.144 2.287 306 HB2 GLU 41 1HB GLU 41 8.413 1.521 4.814 307 HB3 GLU 41 2HB GLU 41 8.250 -0.206 4.525 308 HG2 GLU 41 1HG GLU 41 10.535 0.172 4.273 309 HG3 GLU 41 2HG GLU 41 9.940 0.090 2.622 310 H GLY 42 H GLY 42 5.365 -0.550 2.907 311 HA2 GLY 42 1HA GLY 42 3.691 1.116 4.718 312 HA3 GLY 42 2HA GLY 42 3.088 0.655 3.125 313 H GLU 43 H GLU 43 1.600 -0.083 5.263 314 HA GLU 43 HA GLU 43 1.946 -3.010 5.260 315 HB2 GLU 43 1HB GLU 43 1.243 -3.216 7.558 316 HB3 GLU 43 2HB GLU 43 2.588 -2.087 7.516 317 HG2 GLU 43 1HG GLU 43 1.025 -0.201 7.737 318 HG3 GLU 43 2HG GLU 43 -0.338 -1.321 7.741 319 H LYS 44 H LYS 44 0.138 -4.148 4.918 320 HA LYS 44 HA LYS 44 -2.423 -3.023 4.298 321 HB2 LYS 44 1HB LYS 44 -1.630 -5.153 3.332 322 HB3 LYS 44 2HB LYS 44 -1.474 -5.862 4.932 323 HG2 LYS 44 1HG LYS 44 -3.896 -5.871 5.208 324 HG3 LYS 44 2HG LYS 44 -4.105 -5.028 3.669 325 HD2 LYS 44 1HD LYS 44 -3.280 -6.941 2.422 326 HD3 LYS 44 2HD LYS 44 -2.797 -7.768 3.908 327 HE2 LYS 44 1HE LYS 44 -4.901 -8.689 2.969 328 HE3 LYS 44 2HE LYS 44 -5.148 -8.002 4.577 329 HZ1 LYS 44 3HZ LYS 44 -5.915 -6.830 1.967 330 HZ2 LYS 44 1HZ LYS 44 -5.950 -5.962 3.412 331 HZ3 LYS 44 2HZ LYS 44 -6.927 -7.322 3.233 332 H GLU 45 H GLU 45 -4.365 -3.274 5.690 333 HA GLU 45 HA GLU 45 -3.987 -2.601 8.423 334 HB2 GLU 45 1HB GLU 45 -6.560 -3.586 7.107 335 HB3 GLU 45 2HB GLU 45 -6.450 -2.694 8.620 336 HG2 GLU 45 1HG GLU 45 -5.836 -1.652 5.828 337 HG3 GLU 45 2HG GLU 45 -7.175 -1.185 6.874 338 H ASP 46 H ASP 46 -4.279 -5.683 6.857 339 HA ASP 46 HA ASP 46 -4.906 -7.370 9.057 340 HB2 ASP 46 1HB ASP 46 -5.048 -8.071 6.704 341 HB3 ASP 46 2HB ASP 46 -3.304 -7.907 6.513 342 H GLY 47 H GLY 47 -2.033 -5.643 8.225 343 HA2 GLY 47 1HA GLY 47 -0.451 -5.146 9.990 344 HA3 GLY 47 2HA GLY 47 -0.579 -6.810 10.537 345 H LEU 48 H LEU 48 -0.511 -7.458 7.447 346 HA LEU 48 HA LEU 48 2.237 -8.178 7.323 347 HB2 LEU 48 1HB LEU 48 0.174 -8.021 5.082 348 HB3 LEU 48 2HB LEU 48 1.738 -8.820 4.967 349 HG LEU 48 HG LEU 48 -0.560 -9.668 6.783 350 HD11 LEU 48 1HD1 LEU 48 -0.734 -11.636 5.325 351 HD12 LEU 48 2HD1 LEU 48 0.540 -10.996 4.281 352 HD13 LEU 48 3HD1 LEU 48 -1.000 -10.145 4.422 353 HD21 LEU 48 3HD2 LEU 48 1.578 -10.175 7.853 354 HD22 LEU 48 1HD2 LEU 48 2.149 -10.994 6.396 355 HD23 LEU 48 2HD2 LEU 48 0.793 -11.656 7.317 356 H ARG 49 H ARG 49 3.970 -7.184 6.363 357 HA ARG 49 HA ARG 49 3.624 -4.388 5.394 358 HB2 ARG 49 1HB ARG 49 5.787 -5.715 7.093 359 HB3 ARG 49 2HB ARG 49 6.049 -4.153 6.311 360 HG2 ARG 49 1HG ARG 49 4.320 -3.103 7.581 361 HG3 ARG 49 2HG ARG 49 3.708 -4.653 8.167 362 HD2 ARG 49 1HD ARG 49 5.545 -4.954 9.639 363 HD3 ARG 49 2HD ARG 49 6.508 -3.716 8.837 364 HE ARG 49 HE ARG 49 5.677 -2.271 10.349 365 HH11 ARG 49 1HH1 ARG 49 3.080 -4.630 9.895 366 HH12 ARG 49 2HH1 ARG 49 1.988 -3.778 10.931 367 HH21 ARG 49 1HH2 ARG 49 4.241 -1.245 11.748 368 HH22 ARG 49 2HH2 ARG 49 2.647 -1.881 11.975 369 H GLY 50 H GLY 50 4.722 -3.725 3.602 370 HA2 GLY 50 1HA GLY 50 6.728 -5.355 2.280 371 HA3 GLY 50 2HA GLY 50 5.195 -5.210 1.419 372 H TRP 51 H TRP 51 7.780 -4.242 0.554 373 HA TRP 51 HA TRP 51 7.508 -1.302 0.651 374 HB2 TRP 51 1HB TRP 51 9.757 -1.318 -0.520 375 HB3 TRP 51 2HB TRP 51 9.772 -2.061 1.072 376 HD1 TRP 51 HD1 TRP 51 10.144 -4.767 1.162 377 HE1 TRP 51 HE1 TRP 51 11.217 -6.385 -0.518 378 HE3 TRP 51 HE3 TRP 51 10.096 -1.794 -3.015 379 HZ2 TRP 51 HZ2 TRP 51 11.951 -6.421 -3.232 380 HZ3 TRP 51 HZ3 TRP 51 11.007 -2.709 -5.114 381 HH2 TRP 51 HH2 TRP 51 11.915 -4.978 -5.222 382 H PHE 52 H PHE 52 6.690 -0.194 -1.049 383 HA PHE 52 HA PHE 52 6.319 -1.377 -3.702 384 HB2 PHE 52 1HB PHE 52 3.972 -0.558 -1.904 385 HB3 PHE 52 2HB PHE 52 3.817 -0.764 -3.648 386 HD1 PHE 52 HD2 PHE 52 4.251 -3.028 -4.670 387 HD2 PHE 52 HD1 PHE 52 3.920 -2.474 -0.447 388 HE1 PHE 52 HE2 PHE 52 3.876 -5.439 -4.383 389 HE2 PHE 52 HE1 PHE 52 3.557 -4.887 -0.163 390 HZ PHE 52 HZ PHE 52 3.536 -6.364 -2.129 391 HA PRO 53 HA PRO 53 6.678 3.027 -4.763 392 HB2 PRO 53 1HB PRO 53 6.328 2.909 -7.421 393 HB3 PRO 53 2HB PRO 53 7.719 2.112 -6.668 394 HG2 PRO 53 1HG PRO 53 5.123 0.906 -7.608 395 HG3 PRO 53 2HG PRO 53 6.777 0.301 -7.835 396 HD2 PRO 53 1HD PRO 53 5.037 -0.575 -5.839 397 HD3 PRO 53 2HD PRO 53 6.806 -0.722 -5.763 398 H ALA 54 H ALA 54 5.378 4.636 -6.224 399 HA ALA 54 HA ALA 54 2.692 4.888 -5.273 400 HB1 ALA 54 3HB ALA 54 4.078 6.880 -5.742 401 HB2 ALA 54 1HB ALA 54 2.577 6.929 -6.664 402 HB3 ALA 54 2HB ALA 54 4.090 6.480 -7.459 403 H SER 55 H SER 55 4.011 3.182 -7.880 404 HA SER 55 HA SER 55 2.303 3.487 -10.036 405 HB2 SER 55 1HB SER 55 3.706 0.921 -9.188 406 HB3 SER 55 2HB SER 55 3.230 1.374 -10.828 407 HG SER 55 HG SER 55 4.678 3.367 -9.976 408 H TYR 56 H TYR 56 1.895 1.362 -7.204 409 HA TYR 56 HA TYR 56 -0.457 0.021 -8.354 410 HB2 TYR 56 1HB TYR 56 0.956 -0.429 -5.686 411 HB3 TYR 56 2HB TYR 56 -0.307 -1.455 -6.371 412 HD1 TYR 56 HD2 TYR 56 0.332 -1.960 -9.070 413 HD2 TYR 56 HD1 TYR 56 3.070 -1.478 -5.823 414 HE1 TYR 56 HE2 TYR 56 2.000 -3.275 -10.283 415 HE2 TYR 56 HE1 TYR 56 4.743 -2.807 -7.043 416 HH TYR 56 HH TYR 56 4.431 -3.561 -10.343 417 H VAL 57 H VAL 57 0.348 2.472 -6.043 418 HA VAL 57 HA VAL 57 -2.360 2.448 -4.853 419 HB VAL 57 HB VAL 57 -1.390 3.726 -2.977 420 HG11 VAL 57 1HG1 VAL 57 0.011 1.953 -1.956 421 HG12 VAL 57 2HG1 VAL 57 0.196 1.183 -3.535 422 HG13 VAL 57 3HG1 VAL 57 -1.396 1.275 -2.779 423 HG21 VAL 57 3HG2 VAL 57 1.306 3.458 -4.383 424 HG22 VAL 57 1HG2 VAL 57 1.056 4.104 -2.755 425 HG23 VAL 57 2HG2 VAL 57 0.399 4.955 -4.153 426 H GLN 58 H GLN 58 -2.889 4.800 -4.031 427 HA GLN 58 HA GLN 58 -2.186 6.858 -6.018 428 HB2 GLN 58 1HB GLN 58 -4.420 5.955 -6.611 429 HB3 GLN 58 2HB GLN 58 -5.003 6.279 -4.983 430 HG2 GLN 58 1HG GLN 58 -5.836 8.007 -6.410 431 HG3 GLN 58 2HG GLN 58 -4.603 8.725 -5.387 432 HE21 GLN 58 2HE2 GLN 58 -5.668 9.681 -7.928 433 HE22 GLN 58 1HE2 GLN 58 -4.336 9.812 -9.022 434 H LEU 59 H LEU 59 -1.385 8.567 -5.032 435 HA LEU 59 HA LEU 59 -1.394 8.990 -2.214 436 HB2 LEU 59 1HB LEU 59 -0.664 10.941 -4.439 437 HB3 LEU 59 2HB LEU 59 -0.217 11.086 -2.742 438 HG LEU 59 HG LEU 59 0.785 8.933 -4.670 439 HD11 LEU 59 1HD1 LEU 59 2.951 10.052 -4.489 440 HD12 LEU 59 2HD1 LEU 59 2.248 11.298 -3.458 441 HD13 LEU 59 3HD1 LEU 59 1.725 11.142 -5.139 442 HD21 LEU 59 3HD2 LEU 59 0.631 8.006 -2.400 443 HD22 LEU 59 1HD2 LEU 59 1.548 9.371 -1.751 444 HD23 LEU 59 2HD2 LEU 59 2.314 8.230 -2.861 445 H LEU 60 H LEU 60 -3.060 9.791 -1.079 446 HA LEU 60 HA LEU 60 -5.335 11.038 -2.425 447 HB2 LEU 60 1HB LEU 60 -5.009 10.224 0.490 448 HB3 LEU 60 2HB LEU 60 -6.510 10.712 -0.289 449 HG LEU 60 HG LEU 60 -4.923 8.162 -0.818 450 HD11 LEU 60 1HD1 LEU 60 -6.221 8.102 1.243 451 HD12 LEU 60 2HD1 LEU 60 -6.889 7.005 0.040 452 HD13 LEU 60 3HD1 LEU 60 -7.688 8.546 0.361 453 HD21 LEU 60 3HD2 LEU 60 -6.706 7.500 -2.396 454 HD22 LEU 60 1HD2 LEU 60 -5.830 8.927 -2.954 455 HD23 LEU 60 2HD2 LEU 60 -7.438 9.101 -2.247 Start of MODEL 20 1 H1 MET 1 1H MET 1 1.053 9.278 13.575 2 H2 MET 1 2H MET 1 1.218 9.837 15.161 3 H3 MET 1 3H MET 1 2.331 10.295 13.972 4 HA MET 1 HA MET 1 -0.536 10.996 14.003 5 HB2 MET 1 1HB MET 1 0.167 13.283 14.539 6 HB3 MET 1 2HB MET 1 0.807 12.189 15.757 7 HG2 MET 1 1HG MET 1 3.023 12.283 14.664 8 HG3 MET 1 2HG MET 1 2.364 13.369 13.445 9 HE1 MET 1 3HE MET 1 1.720 13.312 17.379 10 HE2 MET 1 1HE MET 1 2.913 14.502 17.908 11 HE3 MET 1 2HE MET 1 3.444 12.973 17.214 12 H SER 2 H SER 2 -1.059 12.640 12.379 13 HA SER 2 HA SER 2 -1.325 13.331 10.272 14 HB2 SER 2 1HB SER 2 0.774 14.592 10.695 15 HB3 SER 2 2HB SER 2 1.719 13.224 10.105 16 HG SER 2 HG SER 2 0.742 13.496 8.074 17 H GLY 3 H GLY 3 -2.433 11.460 9.661 18 HA2 GLY 3 1HA GLY 3 -1.104 9.063 8.747 19 HA3 GLY 3 2HA GLY 3 -2.835 9.362 8.792 20 H ALA 4 H ALA 4 0.120 10.014 6.952 21 HA ALA 4 HA ALA 4 -1.139 10.859 4.524 22 HB1 ALA 4 3HB ALA 4 1.611 9.612 4.942 23 HB2 ALA 4 1HB ALA 4 1.239 11.340 4.969 24 HB3 ALA 4 2HB ALA 4 1.056 10.423 3.475 25 H ARG 5 H ARG 5 -2.731 9.489 3.851 26 HA ARG 5 HA ARG 5 -2.305 6.584 3.737 27 HB2 ARG 5 1HB ARG 5 -4.801 8.277 3.295 28 HB3 ARG 5 2HB ARG 5 -4.755 6.518 3.193 29 HG2 ARG 5 1HG ARG 5 -4.182 6.372 5.580 30 HG3 ARG 5 2HG ARG 5 -4.150 8.137 5.696 31 HD2 ARG 5 1HD ARG 5 -6.538 8.241 5.159 32 HD3 ARG 5 2HD ARG 5 -6.591 6.488 4.932 33 HE ARG 5 HE ARG 5 -5.639 7.098 7.529 34 HH11 ARG 5 1HH1 ARG 5 -8.632 7.161 5.709 35 HH12 ARG 5 2HH1 ARG 5 -9.627 6.899 7.100 36 HH21 ARG 5 1HH2 ARG 5 -6.947 6.757 9.353 37 HH22 ARG 5 2HH2 ARG 5 -8.668 6.684 9.165 38 H CYS 6 H CYS 6 -2.519 5.424 1.876 39 HA CYS 6 HA CYS 6 -2.761 6.782 -0.742 40 HB2 CYS 6 1HB CYS 6 -0.961 4.385 -0.118 41 HB3 CYS 6 2HB CYS 6 -1.087 5.240 -1.657 42 HG CYS 6 HG CYS 6 -0.077 6.935 1.099 43 H ARG 7 H ARG 7 -4.083 5.646 -2.191 44 HA ARG 7 HA ARG 7 -5.483 3.272 -1.135 45 HB2 ARG 7 1HB ARG 7 -6.857 5.321 -1.751 46 HB3 ARG 7 2HB ARG 7 -6.359 5.095 -3.425 47 HG2 ARG 7 1HG ARG 7 -7.457 2.909 -3.502 48 HG3 ARG 7 2HG ARG 7 -7.858 3.022 -1.786 49 HD2 ARG 7 1HD ARG 7 -9.208 5.129 -2.409 50 HD3 ARG 7 2HD ARG 7 -9.010 4.616 -4.094 51 HE ARG 7 HE ARG 7 -10.075 2.644 -2.217 52 HH11 ARG 7 1HH1 ARG 7 -10.851 4.965 -4.746 53 HH12 ARG 7 2HH1 ARG 7 -12.442 4.323 -4.991 54 HH21 ARG 7 1HH2 ARG 7 -12.145 1.821 -2.566 55 HH22 ARG 7 2HH2 ARG 7 -13.165 2.538 -3.765 56 H THR 8 H THR 8 -5.101 1.378 -2.058 57 HA THR 8 HA THR 8 -3.193 1.009 -4.128 58 HB THR 8 HB THR 8 -3.838 -1.420 -3.937 59 HG1 THR 8 HG1 THR 8 -5.475 -2.003 -2.498 60 HG21 THR 8 3HG2 THR 8 -3.157 -1.743 -1.579 61 HG22 THR 8 1HG2 THR 8 -3.465 -0.034 -1.242 62 HG23 THR 8 2HG2 THR 8 -2.168 -0.501 -2.346 63 H LEU 9 H LEU 9 -3.495 0.924 -6.285 64 HA LEU 9 HA LEU 9 -5.992 1.672 -7.441 65 HB2 LEU 9 1HB LEU 9 -3.398 0.751 -8.746 66 HB3 LEU 9 2HB LEU 9 -4.765 1.426 -9.624 67 HG LEU 9 HG LEU 9 -3.124 2.920 -7.529 68 HD11 LEU 9 1HD1 LEU 9 -2.192 4.216 -9.388 69 HD12 LEU 9 2HD1 LEU 9 -3.061 3.213 -10.553 70 HD13 LEU 9 3HD1 LEU 9 -1.801 2.505 -9.542 71 HD21 LEU 9 3HD2 LEU 9 -5.335 3.942 -9.349 72 HD22 LEU 9 1HD2 LEU 9 -4.360 4.920 -8.246 73 HD23 LEU 9 2HD2 LEU 9 -5.448 3.694 -7.604 74 H TYR 10 H TYR 10 -3.987 -1.159 -8.397 75 HA TYR 10 HA TYR 10 -6.237 -3.006 -8.192 76 HB2 TYR 10 1HB TYR 10 -4.961 -2.406 -10.916 77 HB3 TYR 10 2HB TYR 10 -6.048 -3.750 -10.604 78 HD1 TYR 10 HD1 TYR 10 -8.467 -3.269 -9.990 79 HD2 TYR 10 HD2 TYR 10 -5.835 -0.200 -11.387 80 HE1 TYR 10 HE1 TYR 10 -10.394 -1.806 -10.429 81 HE2 TYR 10 HE2 TYR 10 -7.766 1.254 -11.825 82 HH TYR 10 HH TYR 10 -10.147 1.069 -12.247 83 HA PRO 11 HA PRO 11 -2.627 -5.625 -7.372 84 HB2 PRO 11 1HB PRO 11 -3.858 -8.071 -7.297 85 HB3 PRO 11 2HB PRO 11 -3.980 -6.899 -5.979 86 HG2 PRO 11 1HG PRO 11 -5.936 -7.463 -8.205 87 HG3 PRO 11 2HG PRO 11 -6.257 -7.220 -6.475 88 HD2 PRO 11 1HD PRO 11 -6.620 -5.242 -8.314 89 HD3 PRO 11 2HD PRO 11 -6.117 -4.898 -6.643 90 H PHE 12 H PHE 12 -1.527 -5.258 -9.321 91 HA PHE 12 HA PHE 12 -2.086 -6.948 -11.653 92 HB2 PHE 12 1HB PHE 12 0.124 -4.884 -11.233 93 HB3 PHE 12 2HB PHE 12 -0.235 -5.711 -12.745 94 HD1 PHE 12 HD2 PHE 12 -2.890 -5.477 -13.422 95 HD2 PHE 12 HD1 PHE 12 -0.629 -2.665 -11.120 96 HE1 PHE 12 HE2 PHE 12 -4.442 -3.685 -14.081 97 HE2 PHE 12 HE1 PHE 12 -2.188 -0.880 -11.785 98 HZ PHE 12 HZ PHE 12 -4.091 -1.386 -13.266 99 H SER 13 H SER 13 -1.518 -9.004 -11.249 100 HA SER 13 HA SER 13 1.074 -9.656 -9.997 101 HB2 SER 13 1HB SER 13 0.071 -12.002 -9.895 102 HB3 SER 13 2HB SER 13 -0.770 -10.789 -8.932 103 HG SER 13 HG SER 13 -2.166 -12.143 -10.187 104 H GLY 14 H GLY 14 2.554 -9.462 -11.578 105 HA2 GLY 14 1HA GLY 14 2.593 -11.460 -13.714 106 HA3 GLY 14 2HA GLY 14 2.597 -9.780 -14.242 107 H GLU 15 H GLU 15 4.119 -10.382 -11.239 108 HA GLU 15 HA GLU 15 6.844 -10.367 -12.434 109 HB2 GLU 15 1HB GLU 15 5.895 -9.203 -9.763 110 HB3 GLU 15 2HB GLU 15 7.569 -9.228 -10.318 111 HG2 GLU 15 1HG GLU 15 7.056 -7.706 -12.125 112 HG3 GLU 15 2HG GLU 15 5.335 -7.787 -11.765 113 H ARG 16 H ARG 16 8.499 -11.424 -11.054 114 HA ARG 16 HA ARG 16 7.689 -14.028 -10.169 115 HB2 ARG 16 1HB ARG 16 10.373 -12.593 -9.982 116 HB3 ARG 16 2HB ARG 16 10.128 -14.240 -9.425 117 HG2 ARG 16 1HG ARG 16 11.121 -14.451 -11.552 118 HG3 ARG 16 2HG ARG 16 9.418 -14.819 -11.814 119 HD2 ARG 16 1HD ARG 16 9.084 -12.514 -12.682 120 HD3 ARG 16 2HD ARG 16 10.805 -12.188 -12.437 121 HE ARG 16 HE ARG 16 10.640 -14.464 -14.017 122 HH11 ARG 16 1HH1 ARG 16 9.760 -11.072 -14.346 123 HH12 ARG 16 2HH1 ARG 16 9.914 -11.081 -16.072 124 HH21 ARG 16 1HH2 ARG 16 10.813 -14.461 -16.267 125 HH22 ARG 16 2HH2 ARG 16 10.515 -13.003 -17.159 126 H HIS 17 H HIS 17 8.240 -14.891 -8.000 127 HA HIS 17 HA HIS 17 7.010 -13.336 -5.929 128 HB2 HIS 17 1HB HIS 17 7.415 -15.373 -4.505 129 HB3 HIS 17 2HB HIS 17 6.599 -15.739 -6.022 130 HD2 HIS 17 HD2 HIS 17 7.902 -17.533 -7.662 131 HE1 HIS 17 HE1 HIS 17 11.377 -17.885 -5.276 132 HE2 HIS 17 HE2 HIS 17 10.028 -18.930 -7.153 133 H GLY 18 H GLY 18 8.217 -13.625 -3.612 134 HA2 GLY 18 1HA GLY 18 10.263 -13.246 -2.394 135 HA3 GLY 18 2HA GLY 18 10.931 -12.430 -3.801 136 H GLN 19 H GLN 19 8.814 -12.180 -1.066 137 HA GLN 19 HA GLN 19 7.737 -10.541 0.031 138 HB2 GLN 19 1HB GLN 19 10.196 -9.565 -0.168 139 HB3 GLN 19 2HB GLN 19 9.475 -8.417 -1.279 140 HG2 GLN 19 1HG GLN 19 8.603 -8.786 1.615 141 HG3 GLN 19 2HG GLN 19 9.759 -7.577 1.065 142 HE21 GLN 19 2HE2 GLN 19 6.394 -8.484 1.182 143 HE22 GLN 19 1HE2 GLN 19 5.755 -6.981 0.621 144 H GLY 20 H GLY 20 6.232 -11.417 -1.761 145 HA2 GLY 20 1HA GLY 20 5.117 -9.242 -3.436 146 HA3 GLY 20 2HA GLY 20 4.770 -10.961 -3.595 147 H LEU 21 H LEU 21 3.898 -8.032 -2.023 148 HA LEU 21 HA LEU 21 2.188 -9.286 -0.009 149 HB2 LEU 21 1HB LEU 21 3.525 -7.201 0.482 150 HB3 LEU 21 2HB LEU 21 2.573 -6.343 -0.719 151 HG LEU 21 HG LEU 21 0.506 -6.842 0.691 152 HD11 LEU 21 1HD1 LEU 21 0.802 -7.437 3.047 153 HD12 LEU 21 2HD1 LEU 21 2.532 -7.676 2.791 154 HD13 LEU 21 3HD1 LEU 21 1.365 -8.729 1.987 155 HD21 LEU 21 3HD2 LEU 21 0.917 -5.018 2.291 156 HD22 LEU 21 1HD2 LEU 21 1.556 -4.624 0.693 157 HD23 LEU 21 2HD2 LEU 21 2.652 -5.122 1.983 158 H ARG 22 H ARG 22 0.070 -9.713 -0.348 159 HA ARG 22 HA ARG 22 -1.255 -9.039 -2.834 160 HB2 ARG 22 1HB ARG 22 -1.635 -11.245 -1.732 161 HB3 ARG 22 2HB ARG 22 -2.336 -10.426 -0.338 162 HG2 ARG 22 1HG ARG 22 -4.169 -9.558 -1.795 163 HG3 ARG 22 2HG ARG 22 -3.476 -10.436 -3.161 164 HD2 ARG 22 1HD ARG 22 -3.853 -12.570 -1.963 165 HD3 ARG 22 2HD ARG 22 -4.549 -11.680 -0.602 166 HE ARG 22 HE ARG 22 -5.719 -11.860 -3.320 167 HH11 ARG 22 1HH1 ARG 22 -6.175 -11.368 0.135 168 HH12 ARG 22 2HH1 ARG 22 -7.903 -11.337 0.006 169 HH21 ARG 22 1HH2 ARG 22 -7.976 -11.829 -3.457 170 HH22 ARG 22 2HH2 ARG 22 -8.917 -11.608 -2.017 171 H PHE 23 H PHE 23 -2.356 -7.224 -3.175 172 HA PHE 23 HA PHE 23 -3.715 -5.823 -0.953 173 HB2 PHE 23 1HB PHE 23 -3.117 -3.640 -2.057 174 HB3 PHE 23 2HB PHE 23 -1.729 -4.507 -1.425 175 HD1 PHE 23 HD2 PHE 23 -0.195 -5.746 -3.067 176 HD2 PHE 23 HD1 PHE 23 -3.213 -3.024 -4.393 177 HE1 PHE 23 HE2 PHE 23 0.924 -5.560 -5.252 178 HE2 PHE 23 HE1 PHE 23 -2.086 -2.844 -6.574 179 HZ PHE 23 HZ PHE 23 -0.022 -4.111 -7.000 180 H ALA 24 H ALA 24 -5.805 -6.032 -1.314 181 HA ALA 24 HA ALA 24 -7.047 -6.472 -3.847 182 HB1 ALA 24 3HB ALA 24 -9.172 -6.262 -2.596 183 HB2 ALA 24 1HB ALA 24 -8.288 -5.656 -1.186 184 HB3 ALA 24 2HB ALA 24 -8.036 -7.310 -1.746 185 H ALA 25 H ALA 25 -8.269 -5.040 -5.092 186 HA ALA 25 HA ALA 25 -7.232 -2.452 -5.453 187 HB1 ALA 25 3HB ALA 25 -8.221 -3.805 -7.274 188 HB2 ALA 25 1HB ALA 25 -8.976 -2.212 -7.180 189 HB3 ALA 25 2HB ALA 25 -9.816 -3.628 -6.543 190 H GLY 26 H GLY 26 -7.514 -0.842 -4.012 191 HA2 GLY 26 1HA GLY 26 -8.970 1.056 -3.614 192 HA3 GLY 26 2HA GLY 26 -10.280 -0.052 -3.259 193 H GLU 27 H GLU 27 -7.450 -1.232 -1.806 194 HA GLU 27 HA GLU 27 -8.374 -0.610 0.829 195 HB2 GLU 27 1HB GLU 27 -5.815 -1.917 -0.154 196 HB3 GLU 27 2HB GLU 27 -6.136 -1.634 1.557 197 HG2 GLU 27 1HG GLU 27 -8.265 -2.998 1.283 198 HG3 GLU 27 2HG GLU 27 -7.692 -3.423 -0.336 199 H LEU 28 H LEU 28 -7.993 1.077 2.083 200 HA LEU 28 HA LEU 28 -6.101 3.181 1.351 201 HB2 LEU 28 1HB LEU 28 -7.896 3.016 3.816 202 HB3 LEU 28 2HB LEU 28 -7.093 4.451 3.191 203 HG LEU 28 HG LEU 28 -9.382 2.963 1.835 204 HD11 LEU 28 1HD1 LEU 28 -10.757 4.907 2.382 205 HD12 LEU 28 2HD1 LEU 28 -9.406 5.653 3.240 206 HD13 LEU 28 3HD1 LEU 28 -10.115 4.152 3.842 207 HD21 LEU 28 3HD2 LEU 28 -9.442 4.823 0.227 208 HD22 LEU 28 1HD2 LEU 28 -7.905 3.965 0.163 209 HD23 LEU 28 2HD2 LEU 28 -8.006 5.530 0.970 210 H ILE 29 H ILE 29 -4.020 2.550 1.785 211 HA ILE 29 HA ILE 29 -3.338 1.337 4.394 212 HB ILE 29 HB ILE 29 -1.603 1.418 1.872 213 HG12 ILE 29 1HG1 ILE 29 -3.605 0.040 1.411 214 HG13 ILE 29 2HG1 ILE 29 -2.180 -0.982 1.528 215 HG21 ILE 29 1HG2 ILE 29 -0.310 1.206 3.954 216 HG22 ILE 29 2HG2 ILE 29 -0.232 -0.290 3.025 217 HG23 ILE 29 3HG2 ILE 29 -1.277 -0.190 4.445 218 HD11 ILE 29 3HD1 ILE 29 -4.108 -2.000 2.576 219 HD12 ILE 29 1HD1 ILE 29 -4.285 -0.619 3.658 220 HD13 ILE 29 2HD1 ILE 29 -2.863 -1.661 3.777 221 H THR 30 H THR 30 -2.296 2.580 5.835 222 HA THR 30 HA THR 30 -1.454 5.284 5.211 223 HB THR 30 HB THR 30 -1.304 3.744 7.852 224 HG1 THR 30 HG1 THR 30 -3.452 3.959 7.217 225 HG21 THR 30 3HG2 THR 30 -1.168 5.983 8.915 226 HG22 THR 30 1HG2 THR 30 -1.136 6.751 7.327 227 HG23 THR 30 2HG2 THR 30 0.204 5.721 7.838 228 H LEU 31 H LEU 31 0.599 6.004 5.013 229 HA LEU 31 HA LEU 31 2.828 4.207 4.690 230 HB2 LEU 31 1HB LEU 31 2.786 7.259 4.759 231 HB3 LEU 31 2HB LEU 31 4.095 6.254 4.141 232 HG LEU 31 HG LEU 31 1.311 6.541 2.920 233 HD11 LEU 31 1HD1 LEU 31 2.692 8.528 2.551 234 HD12 LEU 31 2HD1 LEU 31 2.436 7.647 1.048 235 HD13 LEU 31 3HD1 LEU 31 3.990 7.532 1.879 236 HD21 LEU 31 3HD2 LEU 31 3.648 4.849 1.991 237 HD22 LEU 31 1HD2 LEU 31 2.175 5.149 1.067 238 HD23 LEU 31 2HD2 LEU 31 2.091 4.275 2.592 239 H LEU 32 H LEU 32 4.260 3.635 6.266 240 HA LEU 32 HA LEU 32 4.149 4.713 8.948 241 HB2 LEU 32 1HB LEU 32 6.087 2.789 7.615 242 HB3 LEU 32 2HB LEU 32 6.121 3.186 9.330 243 HG LEU 32 HG LEU 32 3.827 1.787 7.894 244 HD11 LEU 32 1HD1 LEU 32 5.915 0.647 9.777 245 HD12 LEU 32 2HD1 LEU 32 5.809 0.374 8.035 246 HD13 LEU 32 3HD1 LEU 32 4.539 -0.218 9.092 247 HD21 LEU 32 3HD2 LEU 32 4.177 2.381 10.858 248 HD22 LEU 32 1HD2 LEU 32 2.893 1.396 10.147 249 HD23 LEU 32 2HD2 LEU 32 2.990 3.113 9.773 250 H GLN 33 H GLN 33 6.017 5.257 6.069 251 HA GLN 33 HA GLN 33 7.453 7.511 7.208 252 HB2 GLN 33 1HB GLN 33 8.959 5.677 7.819 253 HB3 GLN 33 2HB GLN 33 8.887 5.004 6.195 254 HG2 GLN 33 1HG GLN 33 10.000 7.154 5.390 255 HG3 GLN 33 2HG GLN 33 10.262 7.553 7.090 256 HE21 GLN 33 2HE2 GLN 33 11.041 5.292 4.511 257 HE22 GLN 33 1HE2 GLN 33 12.498 4.691 5.222 258 H VAL 34 H VAL 34 8.010 8.989 5.617 259 HA VAL 34 HA VAL 34 7.808 8.187 2.772 260 HB VAL 34 HB VAL 34 7.526 10.633 2.243 261 HG11 VAL 34 1HG1 VAL 34 5.138 10.765 2.875 262 HG12 VAL 34 2HG1 VAL 34 5.373 9.480 4.065 263 HG13 VAL 34 3HG1 VAL 34 5.571 9.139 2.343 264 HG21 VAL 34 3HG2 VAL 34 8.491 11.669 4.264 265 HG22 VAL 34 1HG2 VAL 34 7.186 11.008 5.254 266 HG23 VAL 34 2HG2 VAL 34 6.837 12.230 4.027 267 HA PRO 35 HA PRO 35 12.340 8.570 3.624 268 HB2 PRO 35 1HB PRO 35 13.182 6.905 1.599 269 HB3 PRO 35 2HB PRO 35 12.610 6.312 3.166 270 HG2 PRO 35 1HG PRO 35 11.124 6.506 0.553 271 HG3 PRO 35 2HG PRO 35 11.133 5.186 1.740 272 HD2 PRO 35 1HD PRO 35 9.105 7.004 1.605 273 HD3 PRO 35 2HD PRO 35 9.600 6.251 3.137 274 H ASP 36 H ASP 36 10.601 8.990 0.612 275 HA ASP 36 HA ASP 36 11.608 11.549 0.054 276 HB2 ASP 36 1HB ASP 36 13.669 10.405 -0.684 277 HB3 ASP 36 2HB ASP 36 12.740 9.344 -1.736 278 H GLY 37 H GLY 37 10.491 8.594 -1.562 279 HA2 GLY 37 1HA GLY 37 7.881 9.034 -1.964 280 HA3 GLY 37 2HA GLY 37 8.587 10.003 -3.257 281 H GLY 38 H GLY 38 7.016 8.152 -4.182 282 HA2 GLY 38 1HA GLY 38 6.913 6.469 -5.738 283 HA3 GLY 38 2HA GLY 38 8.667 6.407 -5.735 284 H TRP 39 H TRP 39 9.726 5.157 -4.065 285 HA TRP 39 HA TRP 39 8.260 2.823 -3.121 286 HB2 TRP 39 1HB TRP 39 11.181 3.649 -3.018 287 HB3 TRP 39 2HB TRP 39 10.594 2.271 -2.095 288 HD1 TRP 39 HD1 TRP 39 11.339 3.357 -5.699 289 HE1 TRP 39 HE1 TRP 39 11.332 1.257 -7.179 290 HE3 TRP 39 HE3 TRP 39 9.514 -0.033 -2.308 291 HZ2 TRP 39 HZ2 TRP 39 10.636 -1.460 -6.956 292 HZ3 TRP 39 HZ3 TRP 39 9.203 -2.370 -3.028 293 HH2 TRP 39 HH2 TRP 39 9.756 -3.064 -5.309 294 H TRP 40 H TRP 40 6.973 3.214 -1.459 295 HA TRP 40 HA TRP 40 8.065 4.457 1.000 296 HB2 TRP 40 1HB TRP 40 5.162 4.036 0.146 297 HB3 TRP 40 2HB TRP 40 5.670 4.700 1.697 298 HD1 TRP 40 HD1 TRP 40 7.149 7.104 1.474 299 HE1 TRP 40 HE1 TRP 40 6.656 9.088 -0.070 300 HE3 TRP 40 HE3 TRP 40 4.244 4.744 -2.013 301 HZ2 TRP 40 HZ2 TRP 40 5.247 9.611 -2.446 302 HZ3 TRP 40 HZ3 TRP 40 3.358 6.057 -3.895 303 HH2 TRP 40 HH2 TRP 40 3.848 8.445 -4.105 304 H GLU 41 H GLU 41 6.914 3.421 2.981 305 HA GLU 41 HA GLU 41 6.399 0.541 2.648 306 HB2 GLU 41 1HB GLU 41 7.689 0.054 4.760 307 HB3 GLU 41 2HB GLU 41 8.703 0.560 3.417 308 HG2 GLU 41 1HG GLU 41 7.807 2.497 5.569 309 HG3 GLU 41 2HG GLU 41 9.244 1.496 5.761 310 H GLY 42 H GLY 42 4.947 -0.305 4.091 311 HA2 GLY 42 1HA GLY 42 3.688 1.322 6.164 312 HA3 GLY 42 2HA GLY 42 2.695 0.952 4.756 313 H GLU 43 H GLU 43 1.652 0.057 6.972 314 HA GLU 43 HA GLU 43 2.385 -2.791 7.277 315 HB2 GLU 43 1HB GLU 43 0.661 -0.958 8.999 316 HB3 GLU 43 2HB GLU 43 0.753 -2.707 9.238 317 HG2 GLU 43 1HG GLU 43 3.217 -2.481 9.586 318 HG3 GLU 43 2HG GLU 43 3.030 -0.731 9.478 319 H LYS 44 H LYS 44 0.869 -4.372 7.023 320 HA LYS 44 HA LYS 44 -1.549 -3.694 5.456 321 HB2 LYS 44 1HB LYS 44 0.404 -5.042 4.384 322 HB3 LYS 44 2HB LYS 44 -0.077 -6.366 5.434 323 HG2 LYS 44 1HG LYS 44 -1.014 -6.648 3.213 324 HG3 LYS 44 2HG LYS 44 -2.309 -6.385 4.389 325 HD2 LYS 44 1HD LYS 44 -2.581 -4.076 3.674 326 HD3 LYS 44 2HD LYS 44 -1.155 -4.172 2.633 327 HE2 LYS 44 1HE LYS 44 -3.276 -4.324 1.358 328 HE3 LYS 44 2HE LYS 44 -2.285 -5.770 1.176 329 HZ1 LYS 44 3HZ LYS 44 -4.583 -6.351 1.506 330 HZ2 LYS 44 1HZ LYS 44 -4.644 -5.482 2.960 331 HZ3 LYS 44 2HZ LYS 44 -3.679 -6.866 2.836 332 H GLU 45 H GLU 45 -3.499 -4.726 6.044 333 HA GLU 45 HA GLU 45 -3.850 -5.292 8.819 334 HB2 GLU 45 1HB GLU 45 -5.796 -5.633 6.502 335 HB3 GLU 45 2HB GLU 45 -6.237 -5.670 8.210 336 HG2 GLU 45 1HG GLU 45 -5.139 -3.295 6.660 337 HG3 GLU 45 2HG GLU 45 -6.782 -3.496 7.267 338 H ASP 46 H ASP 46 -2.859 -7.281 6.305 339 HA ASP 46 HA ASP 46 -3.763 -9.839 7.222 340 HB2 ASP 46 1HB ASP 46 -1.421 -9.016 5.444 341 HB3 ASP 46 2HB ASP 46 -1.963 -10.682 5.674 342 H GLY 47 H GLY 47 -1.614 -7.648 8.603 343 HA2 GLY 47 1HA GLY 47 -0.412 -7.939 10.603 344 HA3 GLY 47 2HA GLY 47 -0.369 -9.675 10.331 345 H LEU 48 H LEU 48 0.430 -8.923 7.451 346 HA LEU 48 HA LEU 48 3.292 -9.136 7.802 347 HB2 LEU 48 1HB LEU 48 1.609 -9.005 5.258 348 HB3 LEU 48 2HB LEU 48 3.307 -9.462 5.347 349 HG LEU 48 HG LEU 48 1.016 -11.043 6.596 350 HD11 LEU 48 1HD1 LEU 48 0.850 -11.099 4.165 351 HD12 LEU 48 2HD1 LEU 48 1.341 -12.672 4.785 352 HD13 LEU 48 3HD1 LEU 48 2.534 -11.614 4.026 353 HD21 LEU 48 3HD2 LEU 48 3.105 -11.376 7.812 354 HD22 LEU 48 1HD2 LEU 48 3.955 -11.771 6.315 355 HD23 LEU 48 2HD2 LEU 48 2.680 -12.833 6.921 356 H ARG 49 H ARG 49 4.788 -7.726 6.703 357 HA ARG 49 HA ARG 49 3.832 -4.987 6.076 358 HB2 ARG 49 1HB ARG 49 6.482 -5.812 7.358 359 HB3 ARG 49 2HB ARG 49 6.073 -4.174 6.850 360 HG2 ARG 49 1HG ARG 49 4.220 -4.138 8.518 361 HG3 ARG 49 2HG ARG 49 4.676 -5.765 9.038 362 HD2 ARG 49 1HD ARG 49 6.901 -4.908 9.720 363 HD3 ARG 49 2HD ARG 49 6.427 -3.282 9.207 364 HE ARG 49 HE ARG 49 4.863 -4.687 11.284 365 HH11 ARG 49 1HH1 ARG 49 6.867 -1.942 10.386 366 HH12 ARG 49 2HH1 ARG 49 6.634 -1.133 11.900 367 HH21 ARG 49 1HH2 ARG 49 4.580 -3.622 13.246 368 HH22 ARG 49 2HH2 ARG 49 5.342 -2.096 13.526 369 H GLY 50 H GLY 50 5.754 -3.870 4.787 370 HA2 GLY 50 1HA GLY 50 7.364 -4.169 2.977 371 HA3 GLY 50 2HA GLY 50 6.495 -5.631 2.498 372 H TRP 51 H TRP 51 6.961 -3.556 0.667 373 HA TRP 51 HA TRP 51 4.305 -2.674 -0.000 374 HB2 TRP 51 1HB TRP 51 5.898 -0.929 1.634 375 HB3 TRP 51 2HB TRP 51 5.906 -0.211 0.033 376 HD1 TRP 51 HD1 TRP 51 3.265 -1.559 2.555 377 HE1 TRP 51 HE1 TRP 51 1.211 -0.046 2.415 378 HE3 TRP 51 HE3 TRP 51 4.782 1.548 -1.202 379 HZ2 TRP 51 HZ2 TRP 51 0.314 2.165 0.932 380 HZ3 TRP 51 HZ3 TRP 51 3.266 3.344 -1.923 381 HH2 TRP 51 HH2 TRP 51 1.077 3.646 -0.879 382 H PHE 52 H PHE 52 4.485 -0.996 -1.872 383 HA PHE 52 HA PHE 52 6.354 -2.082 -3.914 384 HB2 PHE 52 1HB PHE 52 3.306 -1.828 -4.019 385 HB3 PHE 52 2HB PHE 52 4.269 -1.929 -5.487 386 HD1 PHE 52 HD1 PHE 52 5.744 -3.966 -5.862 387 HD2 PHE 52 HD2 PHE 52 2.740 -3.844 -2.823 388 HE1 PHE 52 HE1 PHE 52 5.786 -6.420 -5.718 389 HE2 PHE 52 HE2 PHE 52 2.791 -6.295 -2.687 390 HZ PHE 52 HZ PHE 52 4.308 -7.587 -4.128 391 HA PRO 53 HA PRO 53 6.899 2.192 -5.295 392 HB2 PRO 53 1HB PRO 53 6.664 2.065 -8.051 393 HB3 PRO 53 2HB PRO 53 8.097 1.524 -7.163 394 HG2 PRO 53 1HG PRO 53 5.773 -0.104 -8.198 395 HG3 PRO 53 2HG PRO 53 7.515 -0.441 -8.323 396 HD2 PRO 53 1HD PRO 53 6.010 -1.662 -6.463 397 HD3 PRO 53 2HD PRO 53 7.670 -1.148 -6.087 398 H ALA 54 H ALA 54 5.868 3.979 -6.564 399 HA ALA 54 HA ALA 54 3.247 4.419 -5.628 400 HB1 ALA 54 3HB ALA 54 4.824 6.048 -7.648 401 HB2 ALA 54 1HB ALA 54 4.922 6.204 -5.894 402 HB3 ALA 54 2HB ALA 54 3.420 6.609 -6.729 403 H SER 55 H SER 55 4.266 2.931 -8.521 404 HA SER 55 HA SER 55 2.244 3.557 -10.370 405 HB2 SER 55 1HB SER 55 2.972 1.328 -11.407 406 HB3 SER 55 2HB SER 55 4.263 2.493 -11.112 407 HG SER 55 HG SER 55 4.856 0.436 -10.373 408 H TYR 56 H TYR 56 2.266 1.320 -7.665 409 HA TYR 56 HA TYR 56 -0.185 -0.068 -8.523 410 HB2 TYR 56 1HB TYR 56 1.738 -0.581 -6.223 411 HB3 TYR 56 2HB TYR 56 0.292 -1.540 -6.530 412 HD1 TYR 56 HD2 TYR 56 0.078 -2.695 -8.848 413 HD2 TYR 56 HD1 TYR 56 3.778 -1.150 -7.352 414 HE1 TYR 56 HE2 TYR 56 1.306 -4.117 -10.420 415 HE2 TYR 56 HE1 TYR 56 4.995 -2.577 -8.946 416 HH TYR 56 HH TYR 56 4.591 -4.720 -10.185 417 H VAL 57 H VAL 57 0.493 2.686 -6.761 418 HA VAL 57 HA VAL 57 -2.042 2.555 -5.241 419 HB VAL 57 HB VAL 57 -0.999 3.694 -3.286 420 HG11 VAL 57 1HG1 VAL 57 0.163 1.742 -2.317 421 HG12 VAL 57 2HG1 VAL 57 0.327 1.028 -3.921 422 HG13 VAL 57 3HG1 VAL 57 -1.276 1.247 -3.215 423 HG21 VAL 57 3HG2 VAL 57 1.478 3.817 -3.051 424 HG22 VAL 57 1HG2 VAL 57 0.905 4.773 -4.421 425 HG23 VAL 57 2HG2 VAL 57 1.663 3.205 -4.696 426 H GLN 58 H GLN 58 -2.431 4.933 -4.276 427 HA GLN 58 HA GLN 58 -1.276 7.097 -5.846 428 HB2 GLN 58 1HB GLN 58 -3.544 6.039 -6.935 429 HB3 GLN 58 2HB GLN 58 -4.307 7.134 -5.792 430 HG2 GLN 58 1HG GLN 58 -2.366 7.893 -8.007 431 HG3 GLN 58 2HG GLN 58 -4.110 8.143 -8.013 432 HE21 GLN 58 2HE2 GLN 58 -4.993 9.742 -6.604 433 HE22 GLN 58 1HE2 GLN 58 -4.017 11.025 -6.000 434 H LEU 59 H LEU 59 -1.061 8.875 -4.592 435 HA LEU 59 HA LEU 59 -1.570 8.802 -1.799 436 HB2 LEU 59 1HB LEU 59 -0.814 11.168 -3.572 437 HB3 LEU 59 2HB LEU 59 -0.719 11.148 -1.816 438 HG LEU 59 HG LEU 59 0.952 9.397 -3.681 439 HD11 LEU 59 1HD1 LEU 59 2.851 10.804 -3.055 440 HD12 LEU 59 2HD1 LEU 59 1.804 11.834 -2.075 441 HD13 LEU 59 3HD1 LEU 59 1.591 11.768 -3.827 442 HD21 LEU 59 3HD2 LEU 59 1.083 9.692 -0.654 443 HD22 LEU 59 1HD2 LEU 59 2.222 8.783 -1.654 444 HD23 LEU 59 2HD2 LEU 59 0.544 8.271 -1.553 445 H LEU 60 H LEU 60 -3.260 9.601 -0.594 446 HA LEU 60 HA LEU 60 -5.645 10.595 -1.921 447 HB2 LEU 60 1HB LEU 60 -5.068 10.102 1.031 448 HB3 LEU 60 2HB LEU 60 -6.635 10.567 0.385 449 HG LEU 60 HG LEU 60 -5.170 7.934 -0.077 450 HD11 LEU 60 1HD1 LEU 60 -7.077 6.907 1.051 451 HD12 LEU 60 2HD1 LEU 60 -7.819 8.489 1.298 452 HD13 LEU 60 3HD1 LEU 60 -6.297 8.092 2.093 453 HD21 LEU 60 3HD2 LEU 60 -7.771 8.858 -1.345 454 HD22 LEU 60 1HD2 LEU 60 -7.113 7.219 -1.422 455 HD23 LEU 60 2HD2 LEU 60 -6.239 8.550 -2.171
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