NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
527835 | 2rs2 | 11450 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 20 1H CYS 20 11.232 -5.544 6.199 2 HA CYS 20 HA CYS 20 9.049 -6.449 5.759 3 HB2 CYS 20 1HB CYS 20 7.139 -5.793 7.205 4 HB3 CYS 20 2HB CYS 20 8.321 -6.719 8.108 5 HG CYS 20 HG CYS 20 7.266 -4.768 9.584 6 H LYS 21 H LYS 21 6.986 -4.582 5.692 7 HA LYS 21 HA LYS 21 6.170 -2.728 4.784 8 HB2 LYS 21 1HB LYS 21 7.985 -1.390 5.809 9 HB3 LYS 21 2HB LYS 21 8.914 -1.535 4.307 10 HG2 LYS 21 1HG LYS 21 7.276 -0.333 3.048 11 HG3 LYS 21 2HG LYS 21 6.049 -0.523 4.299 12 HD2 LYS 21 1HD LYS 21 7.390 0.960 5.810 13 HD3 LYS 21 2HD LYS 21 8.533 1.227 4.475 14 HE2 LYS 21 1HE LYS 21 6.758 2.143 3.072 15 HE3 LYS 21 2HE LYS 21 5.521 1.729 4.270 16 HZ1 LYS 21 3HZ LYS 21 6.359 4.102 4.189 17 HZ2 LYS 21 1HZ LYS 21 6.236 3.418 5.679 18 HZ3 LYS 21 2HZ LYS 21 7.711 3.581 4.940 19 H MET 22 H MET 22 5.284 -2.344 2.914 20 HA MET 22 HA MET 22 6.403 -3.525 0.418 21 HB2 MET 22 1HB MET 22 3.690 -4.123 1.685 22 HB3 MET 22 2HB MET 22 4.212 -4.645 0.082 23 HG2 MET 22 1HG MET 22 6.147 -5.856 1.192 24 HG3 MET 22 2HG MET 22 5.436 -5.430 2.744 25 HE1 MET 22 3HE MET 22 4.069 -8.567 -0.287 26 HE2 MET 22 1HE MET 22 3.979 -6.855 -0.757 27 HE3 MET 22 2HE MET 22 5.537 -7.572 -0.282 28 H PHE 23 H PHE 23 5.814 -2.614 -1.383 29 HA PHE 23 HA PHE 23 4.172 -0.144 -1.527 30 HB2 PHE 23 1HB PHE 23 6.223 -0.120 -2.794 31 HB3 PHE 23 2HB PHE 23 5.949 -1.734 -3.426 32 HD1 PHE 23 1HD PHE 23 4.147 -2.138 -5.160 33 HD2 PHE 23 2HD PHE 23 5.254 1.825 -3.889 34 HE1 PHE 23 1HE PHE 23 3.110 -1.207 -7.189 35 HE2 PHE 23 2HE PHE 23 4.191 2.744 -5.911 36 HZ PHE 23 HZ PHE 23 3.133 1.256 -7.584 37 H ILE 24 H ILE 24 2.145 -0.159 -2.490 38 HA ILE 24 HA ILE 24 0.991 -2.813 -3.309 39 HB ILE 24 HB ILE 24 -0.592 -0.640 -1.918 40 HG12 ILE 24 1HG1 ILE 24 1.071 -1.207 -0.260 41 HG13 ILE 24 2HG1 ILE 24 -0.529 -1.749 0.181 42 HG21 ILE 24 1HG2 ILE 24 -1.789 -2.326 -3.271 43 HG22 ILE 24 2HG2 ILE 24 -1.070 -3.626 -2.314 44 HG23 ILE 24 3HG2 ILE 24 -2.176 -2.465 -1.550 45 HD11 ILE 24 3HD1 ILE 24 1.296 -3.348 0.776 46 HD12 ILE 24 1HD1 ILE 24 0.045 -4.062 -0.245 47 HD13 ILE 24 2HD1 ILE 24 1.609 -3.607 -0.943 48 H GLY 25 H GLY 25 1.016 -2.578 -5.518 49 HA2 GLY 25 1HA GLY 25 0.080 -0.062 -6.797 50 HA3 GLY 25 2HA GLY 25 0.787 -1.482 -7.591 51 H GLY 26 H GLY 26 -1.361 -0.304 -8.735 52 HA2 GLY 26 1HA GLY 26 -3.169 -1.077 -9.919 53 HA3 GLY 26 2HA GLY 26 -2.982 -2.651 -9.118 54 H LEU 27 H LEU 27 -3.510 0.134 -7.098 55 HA LEU 27 HA LEU 27 -5.936 -0.969 -5.946 56 HB2 LEU 27 1HB LEU 27 -4.690 1.796 -5.638 57 HB3 LEU 27 2HB LEU 27 -5.934 1.112 -4.617 58 HG LEU 27 HG LEU 27 -3.064 0.099 -4.806 59 HD11 LEU 27 1HD1 LEU 27 -3.413 2.287 -3.645 60 HD12 LEU 27 2HD1 LEU 27 -4.595 1.529 -2.583 61 HD13 LEU 27 3HD1 LEU 27 -2.893 1.007 -2.532 62 HD21 LEU 27 3HD2 LEU 27 -3.819 -1.256 -2.764 63 HD22 LEU 27 1HD2 LEU 27 -5.475 -0.991 -3.338 64 HD23 LEU 27 2HD2 LEU 27 -4.284 -1.818 -4.368 65 H SER 28 H SER 28 -7.894 0.465 -5.612 66 HA SER 28 HA SER 28 -8.931 1.443 -8.217 67 HB2 SER 28 1HB SER 28 -10.377 -0.026 -6.972 68 HB3 SER 28 2HB SER 28 -10.208 0.957 -5.512 69 HG SER 28 HG SER 28 -12.156 1.315 -6.635 70 H TRP 29 H TRP 29 -9.725 3.595 -8.469 71 HA TRP 29 HA TRP 29 -8.479 5.743 -7.019 72 HB2 TRP 29 1HB TRP 29 -10.940 5.716 -8.777 73 HB3 TRP 29 2HB TRP 29 -10.091 7.156 -8.223 74 HD1 TRP 29 HD TRP 29 -7.130 5.702 -8.899 75 HE1 TRP 29 1HE TRP 29 -6.350 5.669 -11.319 76 HE3 TRP 29 3HE TRP 29 -11.629 6.546 -11.198 77 HZ2 TRP 29 2HZ TRP 29 -7.490 6.202 -13.951 78 HZ3 TRP 29 3HZ TRP 29 -11.753 6.748 -13.667 79 HH2 TRP 29 HH TRP 29 -9.694 6.579 -15.049 80 H GLN 30 H GLN 30 -11.081 3.706 -6.134 81 HA GLN 30 HA GLN 30 -12.172 5.622 -4.131 82 HB2 GLN 30 1HB GLN 30 -13.012 2.755 -4.659 83 HB3 GLN 30 2HB GLN 30 -13.885 3.988 -3.753 84 HG2 GLN 30 1HG GLN 30 -14.088 5.314 -5.914 85 HG3 GLN 30 2HG GLN 30 -13.437 3.905 -6.766 86 HE21 GLN 30 2HE2 GLN 30 -14.704 1.691 -5.958 87 HE22 GLN 30 1HE2 GLN 30 -16.449 1.905 -6.024 88 H THR 31 H THR 31 -9.574 3.381 -4.234 89 HA THR 31 HA THR 31 -9.929 2.150 -1.645 90 HB THR 31 HB THR 31 -7.398 2.501 -3.307 91 HG1 THR 31 1HG THR 31 -9.272 0.366 -3.108 92 HG21 THR 31 3HG2 THR 31 -6.729 0.393 -2.066 93 HG22 THR 31 1HG2 THR 31 -6.759 1.848 -1.067 94 HG23 THR 31 2HG2 THR 31 -8.088 0.669 -0.963 95 H THR 32 H THR 32 -9.234 2.718 0.313 96 HA THR 32 HA THR 32 -7.602 5.189 0.709 97 HB THR 32 HB THR 32 -8.757 5.549 2.821 98 HG1 THR 32 1HG THR 32 -10.640 4.206 3.222 99 HG21 THR 32 3HG2 THR 32 -10.940 6.240 2.051 100 HG22 THR 32 1HG2 THR 32 -9.773 6.538 0.751 101 HG23 THR 32 2HG2 THR 32 -10.868 5.142 0.658 102 H GLN 33 H GLN 33 -6.323 5.111 2.730 103 HA GLN 33 HA GLN 33 -4.872 2.622 2.969 104 HB2 GLN 33 1HB GLN 33 -3.588 3.824 4.725 105 HB3 GLN 33 2HB GLN 33 -3.673 4.581 3.146 106 HG2 GLN 33 1HG GLN 33 -5.517 6.099 4.088 107 HG3 GLN 33 2HG GLN 33 -5.036 5.498 5.681 108 HE21 GLN 33 2HE2 GLN 33 -3.441 6.839 6.656 109 HE22 GLN 33 1HE2 GLN 33 -2.341 7.848 5.734 110 H GLU 34 H GLU 34 -7.618 3.864 4.720 111 HA GLU 34 HA GLU 34 -7.476 1.869 6.856 112 HB2 GLU 34 1HB GLU 34 -9.805 3.503 5.765 113 HB3 GLU 34 2HB GLU 34 -9.884 2.432 7.171 114 HG2 GLU 34 1HG GLU 34 -8.111 3.777 8.292 115 HG3 GLU 34 2HG GLU 34 -8.090 4.886 6.917 116 H GLY 35 H GLY 35 -8.871 2.036 3.559 117 HA2 GLY 35 1HA GLY 35 -10.153 -0.552 3.581 118 HA3 GLY 35 2HA GLY 35 -9.678 0.403 2.156 119 H LEU 36 H LEU 36 -6.834 0.547 2.719 120 HA LEU 36 HA LEU 36 -5.879 -2.048 1.959 121 HB2 LEU 36 1HB LEU 36 -4.283 0.165 3.358 122 HB3 LEU 36 2HB LEU 36 -3.627 -1.237 2.542 123 HG LEU 36 HG LEU 36 -4.979 1.150 1.266 124 HD11 LEU 36 1HD1 LEU 36 -2.576 1.336 1.889 125 HD12 LEU 36 2HD1 LEU 36 -2.225 -0.092 0.890 126 HD13 LEU 36 3HD1 LEU 36 -2.827 1.392 0.134 127 HD21 LEU 36 3HD2 LEU 36 -4.586 0.000 -0.903 128 HD22 LEU 36 1HD2 LEU 36 -4.224 -1.500 -0.024 129 HD23 LEU 36 2HD2 LEU 36 -5.840 -0.749 0.081 130 H ARG 37 H ARG 37 -5.810 -0.483 5.223 131 HA ARG 37 HA ARG 37 -4.797 -2.757 6.577 132 HB2 ARG 37 1HB ARG 37 -4.991 -0.532 7.584 133 HB3 ARG 37 2HB ARG 37 -6.757 -0.630 7.548 134 HG2 ARG 37 1HG ARG 37 -6.712 -2.538 9.128 135 HG3 ARG 37 2HG ARG 37 -4.942 -2.517 9.109 136 HD2 ARG 37 1HD ARG 37 -5.106 -0.097 9.918 137 HD3 ARG 37 2HD ARG 37 -6.838 -0.367 10.101 138 HE ARG 37 HE ARG 37 -6.395 -2.085 11.769 139 HH11 ARG 37 1HH1 ARG 37 -3.603 0.006 11.138 140 HH12 ARG 37 2HH1 ARG 37 -2.806 -0.483 12.603 141 HH21 ARG 37 1HH2 ARG 37 -5.332 -2.615 13.653 142 HH22 ARG 37 2HH2 ARG 37 -3.795 -1.897 14.024 143 H GLU 38 H GLU 38 -8.172 -2.007 5.720 144 HA GLU 38 HA GLU 38 -9.407 -4.150 7.006 145 HB2 GLU 38 1HB GLU 38 -10.296 -2.062 5.514 146 HB3 GLU 38 2HB GLU 38 -10.471 -3.339 4.308 147 HG2 GLU 38 1HG GLU 38 -11.765 -4.662 6.012 148 HG3 GLU 38 2HG GLU 38 -11.580 -3.305 7.134 149 H TYR 39 H TYR 39 -7.763 -4.149 3.838 150 HA TYR 39 HA TYR 39 -8.464 -6.955 3.255 151 HB2 TYR 39 1HB TYR 39 -8.346 -5.222 1.508 152 HB3 TYR 39 2HB TYR 39 -6.636 -4.975 1.843 153 HD1 TYR 39 2HD TYR 39 -9.137 -7.563 0.797 154 HD2 TYR 39 1HD TYR 39 -4.991 -6.378 0.809 155 HE1 TYR 39 2HE TYR 39 -8.582 -9.508 -0.645 156 HE2 TYR 39 1HE TYR 39 -4.429 -8.310 -0.638 157 HH TYR 39 HH TYR 39 -6.928 -10.707 -1.651 158 H PHE 40 H PHE 40 -5.568 -5.127 4.249 159 HA PHE 40 HA PHE 40 -3.890 -7.480 4.110 160 HB2 PHE 40 1HB PHE 40 -3.404 -4.587 4.776 161 HB3 PHE 40 2HB PHE 40 -2.164 -5.778 5.056 162 HD1 PHE 40 2HD PHE 40 -1.755 -7.504 3.010 163 HD2 PHE 40 1HD PHE 40 -3.526 -3.600 2.594 164 HE1 PHE 40 2HE PHE 40 -1.277 -7.541 0.581 165 HE2 PHE 40 1HE PHE 40 -3.066 -3.648 0.171 166 HZ PHE 40 HZ PHE 40 -1.932 -5.613 -0.848 167 H GLY 41 H GLY 41 -5.798 -6.161 6.671 168 HA2 GLY 41 1HA GLY 41 -4.492 -7.303 8.921 169 HA3 GLY 41 2HA GLY 41 -6.229 -6.982 8.769 170 H GLN 42 H GLN 42 -5.900 -8.970 6.287 171 HA GLN 42 HA GLN 42 -6.698 -11.421 7.641 172 HB2 GLN 42 1HB GLN 42 -5.894 -10.939 4.737 173 HB3 GLN 42 2HB GLN 42 -6.757 -12.344 5.366 174 HG2 GLN 42 1HG GLN 42 -8.674 -10.866 5.997 175 HG3 GLN 42 2HG GLN 42 -7.813 -9.486 5.328 176 HE21 GLN 42 2HE2 GLN 42 -7.302 -9.525 2.965 177 HE22 GLN 42 1HE2 GLN 42 -8.373 -10.434 1.900 178 H PHE 43 H PHE 43 -3.642 -10.121 6.499 179 HA PHE 43 HA PHE 43 -2.279 -12.764 6.658 180 HB2 PHE 43 1HB PHE 43 -1.246 -10.104 5.615 181 HB3 PHE 43 2HB PHE 43 -0.518 -11.680 5.400 182 HD1 PHE 43 1HD PHE 43 -1.536 -13.335 3.813 183 HD2 PHE 43 2HD PHE 43 -3.165 -9.397 4.286 184 HE1 PHE 43 1HE PHE 43 -2.856 -13.637 1.737 185 HE2 PHE 43 2HE PHE 43 -4.487 -9.676 2.203 186 HZ PHE 43 HZ PHE 43 -4.350 -11.816 0.935 187 H GLY 44 H GLY 44 -2.488 -9.705 8.352 188 HA2 GLY 44 1HA GLY 44 -1.464 -10.575 10.786 189 HA3 GLY 44 2HA GLY 44 -0.074 -9.921 9.935 190 H GLU 45 H GLU 45 -0.827 -8.727 12.266 191 HA GLU 45 HA GLU 45 -2.590 -6.459 11.894 192 HB2 GLU 45 1HB GLU 45 -2.093 -7.421 14.098 193 HB3 GLU 45 2HB GLU 45 -0.397 -6.937 13.955 194 HG2 GLU 45 1HG GLU 45 -1.007 -4.579 13.983 195 HG3 GLU 45 2HG GLU 45 -2.722 -4.970 13.822 196 H VAL 46 H VAL 46 -2.164 -4.556 10.863 197 HA VAL 46 HA VAL 46 0.486 -4.171 9.720 198 HB VAL 46 HB VAL 46 -0.344 -2.536 8.315 199 HG11 VAL 46 1HG1 VAL 46 -1.001 -4.867 7.758 200 HG12 VAL 46 2HG1 VAL 46 -2.581 -4.585 8.530 201 HG13 VAL 46 3HG1 VAL 46 -2.112 -3.655 7.099 202 HG21 VAL 46 3HG2 VAL 46 -2.647 -1.636 8.341 203 HG22 VAL 46 1HG2 VAL 46 -2.867 -2.366 9.956 204 HG23 VAL 46 2HG2 VAL 46 -1.654 -1.089 9.687 205 H LYS 47 H LYS 47 1.933 -2.748 10.206 206 HA LYS 47 HA LYS 47 1.845 -1.219 12.727 207 HB2 LYS 47 1HB LYS 47 3.701 -2.738 12.049 208 HB3 LYS 47 2HB LYS 47 4.040 -1.708 10.660 209 HG2 LYS 47 1HG LYS 47 4.696 0.137 12.110 210 HG3 LYS 47 2HG LYS 47 4.129 -0.740 13.544 211 HD2 LYS 47 1HD LYS 47 5.849 -2.503 13.122 212 HD3 LYS 47 2HD LYS 47 6.440 -1.569 11.729 213 HE2 LYS 47 1HE LYS 47 6.929 0.351 13.240 214 HE3 LYS 47 2HE LYS 47 6.318 -0.575 14.617 215 HZ1 LYS 47 3HZ LYS 47 8.736 -0.691 14.473 216 HZ2 LYS 47 1HZ LYS 47 8.110 -2.182 14.248 217 HZ3 LYS 47 2HZ LYS 47 8.675 -1.328 12.971 218 H GLU 48 H GLU 48 1.586 -0.631 9.308 219 HA GLU 48 HA GLU 48 0.907 2.173 9.620 220 HB2 GLU 48 1HB GLU 48 3.388 2.301 9.700 221 HB3 GLU 48 2HB GLU 48 3.488 1.412 8.183 222 HG2 GLU 48 1HG GLU 48 2.445 3.256 6.969 223 HG3 GLU 48 2HG GLU 48 2.155 4.125 8.483 224 H CYS 49 H CYS 49 -0.163 2.942 7.767 225 HA CYS 49 HA CYS 49 -0.077 1.428 5.271 226 HB2 CYS 49 1HB CYS 49 -2.545 1.291 5.080 227 HB3 CYS 49 2HB CYS 49 -1.896 0.285 6.380 228 HG CYS 49 HG CYS 49 -4.308 1.655 6.761 229 H LEU 50 H LEU 50 -0.525 2.685 3.472 230 HA LEU 50 HA LEU 50 -1.171 5.576 3.775 231 HB2 LEU 50 1HB LEU 50 1.371 4.380 2.618 232 HB3 LEU 50 2HB LEU 50 0.840 6.007 2.254 233 HG LEU 50 HG LEU 50 1.618 5.040 5.028 234 HD11 LEU 50 1HD1 LEU 50 3.524 5.098 3.462 235 HD12 LEU 50 2HD1 LEU 50 3.114 6.755 2.975 236 HD13 LEU 50 3HD1 LEU 50 3.649 6.417 4.636 237 HD21 LEU 50 3HD2 LEU 50 1.620 7.474 5.574 238 HD22 LEU 50 1HD2 LEU 50 0.974 7.834 3.959 239 HD23 LEU 50 2HD2 LEU 50 0.003 6.916 5.131 240 H VAL 51 H VAL 51 -2.048 6.477 1.957 241 HA VAL 51 HA VAL 51 -1.845 5.037 -0.663 242 HB VAL 51 HB VAL 51 -4.383 6.225 0.520 243 HG11 VAL 51 1HG1 VAL 51 -4.223 7.061 -1.788 244 HG12 VAL 51 2HG1 VAL 51 -3.865 5.422 -2.379 245 HG13 VAL 51 3HG1 VAL 51 -5.454 5.808 -1.682 246 HG21 VAL 51 3HG2 VAL 51 -5.336 4.013 -0.097 247 HG22 VAL 51 1HG2 VAL 51 -3.744 3.488 -0.677 248 HG23 VAL 51 2HG2 VAL 51 -3.999 3.846 1.045 249 H MET 52 H MET 52 -1.063 6.290 -2.198 250 HA MET 52 HA MET 52 -0.175 8.998 -1.452 251 HB2 MET 52 1HB MET 52 0.498 7.102 -3.716 252 HB3 MET 52 2HB MET 52 1.235 8.703 -3.520 253 HG2 MET 52 1HG MET 52 1.387 6.532 -1.393 254 HG3 MET 52 2HG MET 52 2.596 6.799 -2.626 255 HE1 MET 52 3HE MET 52 2.253 8.885 1.325 256 HE2 MET 52 1HE MET 52 0.800 8.311 0.476 257 HE3 MET 52 2HE MET 52 2.113 7.173 0.863 258 H ARG 53 H ARG 53 -2.693 9.316 -1.608 259 HA ARG 53 HA ARG 53 -3.784 9.816 -4.209 260 HB2 ARG 53 1HB ARG 53 -5.784 10.575 -3.017 261 HB3 ARG 53 2HB ARG 53 -5.173 9.062 -2.365 262 HG2 ARG 53 1HG ARG 53 -4.007 10.495 -0.545 263 HG3 ARG 53 2HG ARG 53 -5.037 11.820 -1.116 264 HD2 ARG 53 1HD ARG 53 -7.047 10.546 -0.615 265 HD3 ARG 53 2HD ARG 53 -6.117 9.099 -0.246 266 HE ARG 53 HE ARG 53 -6.598 11.380 1.494 267 HH11 ARG 53 1HH1 ARG 53 -4.259 8.768 0.975 268 HH12 ARG 53 2HH1 ARG 53 -3.901 8.619 2.666 269 HH21 ARG 53 1HH2 ARG 53 -6.002 11.220 3.645 270 HH22 ARG 53 2HH2 ARG 53 -4.810 10.056 4.139 271 H ASP 54 H ASP 54 -4.475 11.703 -5.163 272 HA ASP 54 HA ASP 54 -2.864 14.113 -4.795 273 HB2 ASP 54 1HB ASP 54 -3.556 13.269 -7.008 274 HB3 ASP 54 2HB ASP 54 -5.251 13.477 -6.571 275 HA PRO 55 HA PRO 55 -5.858 15.533 -1.788 276 HB2 PRO 55 1HB PRO 55 -4.802 17.940 -1.047 277 HB3 PRO 55 2HB PRO 55 -3.991 16.383 -0.696 278 HG2 PRO 55 1HG PRO 55 -3.458 18.276 -3.011 279 HG3 PRO 55 2HG PRO 55 -2.268 17.542 -1.890 280 HD2 PRO 55 1HD PRO 55 -2.825 16.471 -4.350 281 HD3 PRO 55 2HD PRO 55 -2.435 15.444 -2.936 282 H LEU 56 H LEU 56 -5.571 17.099 -4.878 283 HA LEU 56 HA LEU 56 -7.785 19.016 -4.328 284 HB2 LEU 56 1HB LEU 56 -5.857 18.559 -6.631 285 HB3 LEU 56 2HB LEU 56 -7.369 19.403 -6.871 286 HG LEU 56 HG LEU 56 -6.763 21.098 -5.191 287 HD11 LEU 56 1HD1 LEU 56 -5.236 19.915 -3.708 288 HD12 LEU 56 2HD1 LEU 56 -4.091 19.632 -5.044 289 HD13 LEU 56 3HD1 LEU 56 -4.380 21.275 -4.432 290 HD21 LEU 56 3HD2 LEU 56 -5.054 22.221 -6.568 291 HD22 LEU 56 1HD2 LEU 56 -4.669 20.682 -7.370 292 HD23 LEU 56 2HD2 LEU 56 -6.266 21.431 -7.587 293 H THR 57 H THR 57 -7.036 16.110 -6.321 294 HA THR 57 HA THR 57 -9.880 16.029 -7.229 295 HB THR 57 HB THR 57 -9.112 14.597 -8.997 296 HG1 THR 57 1HG THR 57 -6.766 14.243 -9.092 297 HG21 THR 57 3HG2 THR 57 -7.662 16.084 -10.226 298 HG22 THR 57 1HG2 THR 57 -8.790 17.067 -9.279 299 HG23 THR 57 2HG2 THR 57 -7.105 16.878 -8.739 300 H LYS 58 H LYS 58 -7.895 14.516 -4.969 301 HA LYS 58 HA LYS 58 -8.097 12.839 -3.527 302 HB2 LYS 58 1HB LYS 58 -11.022 12.964 -4.354 303 HB3 LYS 58 2HB LYS 58 -10.428 11.846 -3.145 304 HG2 LYS 58 1HG LYS 58 -11.373 13.801 -2.107 305 HG3 LYS 58 2HG LYS 58 -9.666 13.632 -1.704 306 HD2 LYS 58 1HD LYS 58 -9.059 15.469 -3.146 307 HD3 LYS 58 2HD LYS 58 -10.692 15.527 -3.858 308 HE2 LYS 58 1HE LYS 58 -11.637 16.210 -1.703 309 HE3 LYS 58 2HE LYS 58 -10.060 16.038 -0.917 310 HZ1 LYS 58 3HZ LYS 58 -10.571 18.354 -1.525 311 HZ2 LYS 58 1HZ LYS 58 -9.212 17.824 -2.265 312 HZ3 LYS 58 2HZ LYS 58 -10.612 17.955 -3.114 313 H ARG 59 H ARG 59 -8.005 12.282 -6.700 314 HA ARG 59 HA ARG 59 -8.368 9.465 -7.069 315 HB2 ARG 59 1HB ARG 59 -6.423 11.467 -8.298 316 HB3 ARG 59 2HB ARG 59 -6.561 9.784 -8.820 317 HG2 ARG 59 1HG ARG 59 -8.933 10.102 -9.385 318 HG3 ARG 59 2HG ARG 59 -8.860 11.793 -8.858 319 HD2 ARG 59 1HD ARG 59 -7.227 12.324 -10.590 320 HD3 ARG 59 2HD ARG 59 -7.114 10.634 -11.076 321 HE ARG 59 HE ARG 59 -9.256 12.546 -11.702 322 HH11 ARG 59 1HH1 ARG 59 -8.401 9.117 -11.698 323 HH12 ARG 59 2HH1 ARG 59 -9.633 8.706 -12.849 324 HH21 ARG 59 1HH2 ARG 59 -10.829 11.955 -13.193 325 HH22 ARG 59 2HH2 ARG 59 -10.983 10.297 -13.689 326 H SER 60 H SER 60 -7.316 7.767 -6.291 327 HA SER 60 HA SER 60 -5.282 7.983 -4.265 328 HB2 SER 60 1HB SER 60 -5.461 5.564 -4.210 329 HB3 SER 60 2HB SER 60 -7.087 6.248 -4.416 330 HG SER 60 HG SER 60 -6.828 4.582 -5.889 331 H ARG 61 H ARG 61 -4.902 8.182 -7.583 332 HA ARG 61 HA ARG 61 -3.304 7.817 -9.135 333 HB2 ARG 61 1HB ARG 61 -1.432 7.770 -6.730 334 HB3 ARG 61 2HB ARG 61 -0.878 7.482 -8.368 335 HG2 ARG 61 1HG ARG 61 -1.799 9.679 -9.090 336 HG3 ARG 61 2HG ARG 61 -2.273 10.006 -7.417 337 HD2 ARG 61 1HD ARG 61 -0.134 11.100 -7.945 338 HD3 ARG 61 2HD ARG 61 0.078 9.862 -6.700 339 HE ARG 61 HE ARG 61 0.585 8.923 -9.435 340 HH11 ARG 61 1HH1 ARG 61 2.231 10.465 -6.666 341 HH12 ARG 61 2HH1 ARG 61 3.720 9.604 -7.056 342 HH21 ARG 61 1HH2 ARG 61 2.604 7.816 -9.686 343 HH22 ARG 61 2HH2 ARG 61 3.909 8.299 -8.621 344 H GLY 62 H GLY 62 -4.558 5.436 -7.342 345 HA2 GLY 62 1HA GLY 62 -4.794 3.192 -7.731 346 HA3 GLY 62 2HA GLY 62 -3.671 3.313 -9.099 347 H PHE 63 H PHE 63 -2.462 4.430 -5.958 348 HA PHE 63 HA PHE 63 -1.450 1.817 -5.239 349 HB2 PHE 63 1HB PHE 63 0.783 1.972 -5.745 350 HB3 PHE 63 2HB PHE 63 0.067 2.680 -7.170 351 HD1 PHE 63 1HD PHE 63 -0.054 5.287 -7.276 352 HD2 PHE 63 2HD PHE 63 2.307 3.139 -4.381 353 HE1 PHE 63 1HE PHE 63 1.241 7.339 -6.788 354 HE2 PHE 63 2HE PHE 63 3.680 5.165 -4.004 355 HZ PHE 63 HZ PHE 63 3.133 7.275 -5.158 356 H GLY 64 H GLY 64 -0.081 1.727 -3.411 357 HA2 GLY 64 1HA GLY 64 0.245 4.035 -1.616 358 HA3 GLY 64 2HA GLY 64 -0.927 2.841 -1.086 359 H PHE 65 H PHE 65 0.406 2.506 0.746 360 HA PHE 65 HA PHE 65 2.511 0.467 0.381 361 HB2 PHE 65 1HB PHE 65 2.933 3.121 1.803 362 HB3 PHE 65 2HB PHE 65 3.887 1.706 2.163 363 HD1 PHE 65 1HD PHE 65 3.158 4.268 -0.452 364 HD2 PHE 65 2HD PHE 65 5.613 0.902 0.713 365 HE1 PHE 65 1HE PHE 65 4.804 4.832 -2.211 366 HE2 PHE 65 2HE PHE 65 7.238 1.485 -1.063 367 HZ PHE 65 HZ PHE 65 6.831 3.482 -2.508 368 H VAL 66 H VAL 66 2.794 -0.873 2.183 369 HA VAL 66 HA VAL 66 1.241 -0.354 4.663 370 HB VAL 66 HB VAL 66 0.909 -2.902 3.028 371 HG11 VAL 66 1HG1 VAL 66 1.064 -3.571 5.382 372 HG12 VAL 66 2HG1 VAL 66 -0.099 -2.302 5.842 373 HG13 VAL 66 3HG1 VAL 66 -0.609 -3.681 4.848 374 HG21 VAL 66 3HG2 VAL 66 -1.506 -2.358 3.118 375 HG22 VAL 66 1HG2 VAL 66 -1.145 -0.852 3.985 376 HG23 VAL 66 2HG2 VAL 66 -0.603 -1.084 2.311 377 H THR 67 H THR 67 2.203 -1.101 6.466 378 HA THR 67 HA THR 67 4.670 -2.803 6.266 379 HB THR 67 HB THR 67 4.104 -0.711 8.400 380 HG1 THR 67 1HG THR 67 5.478 0.615 7.252 381 HG21 THR 67 3HG2 THR 67 6.560 -0.896 8.784 382 HG22 THR 67 1HG2 THR 67 5.733 -2.429 9.079 383 HG23 THR 67 2HG2 THR 67 6.641 -2.194 7.574 384 H PHE 68 H PHE 68 4.757 -4.526 7.670 385 HA PHE 68 HA PHE 68 2.335 -5.090 9.320 386 HB2 PHE 68 1HB PHE 68 4.463 -6.855 8.073 387 HB3 PHE 68 2HB PHE 68 3.333 -7.429 9.283 388 HD1 PHE 68 2HD PHE 68 0.906 -7.534 8.868 389 HD2 PHE 68 1HD PHE 68 3.685 -6.447 5.758 390 HE1 PHE 68 2HE PHE 68 -0.806 -8.045 7.154 391 HE2 PHE 68 1HE PHE 68 1.973 -6.976 4.041 392 HZ PHE 68 HZ PHE 68 -0.276 -7.783 4.740 393 H MET 69 H MET 69 2.516 -5.838 11.441 394 HA MET 69 HA MET 69 4.661 -4.848 13.096 395 HB2 MET 69 1HB MET 69 2.418 -6.843 13.597 396 HB3 MET 69 2HB MET 69 3.522 -6.284 14.854 397 HG2 MET 69 1HG MET 69 1.704 -4.462 13.232 398 HG3 MET 69 2HG MET 69 1.365 -5.087 14.841 399 HE1 MET 69 3HE MET 69 1.884 -1.404 15.721 400 HE2 MET 69 1HE MET 69 0.929 -2.238 14.472 401 HE3 MET 69 2HE MET 69 0.990 -2.887 16.120 402 H ASP 70 H ASP 70 4.543 -7.667 11.161 403 HA ASP 70 HA ASP 70 7.197 -8.446 12.046 404 HB2 ASP 70 1HB ASP 70 5.581 -9.753 13.549 405 HB3 ASP 70 2HB ASP 70 5.024 -10.568 12.081 406 H GLN 71 H GLN 71 8.239 -9.845 10.544 407 HA GLN 71 HA GLN 71 7.694 -9.360 7.787 408 HB2 GLN 71 1HB GLN 71 9.906 -9.854 8.924 409 HB3 GLN 71 2HB GLN 71 9.385 -11.523 9.104 410 HG2 GLN 71 1HG GLN 71 10.890 -11.315 7.195 411 HG3 GLN 71 2HG GLN 71 9.293 -11.767 6.627 412 HE21 GLN 71 2HE2 GLN 71 10.238 -10.956 4.504 413 HE22 GLN 71 1HE2 GLN 71 10.139 -9.231 4.193 414 H ALA 72 H ALA 72 6.593 -11.953 9.933 415 HA ALA 72 HA ALA 72 5.960 -13.937 8.039 416 HB1 ALA 72 1HB ALA 72 5.951 -14.254 10.490 417 HB2 ALA 72 2HB ALA 72 4.516 -13.207 10.625 418 HB3 ALA 72 3HB ALA 72 4.409 -14.761 9.771 419 H GLY 73 H GLY 73 4.227 -10.903 8.590 420 HA2 GLY 73 1HA GLY 73 1.897 -11.770 6.998 421 HA3 GLY 73 2HA GLY 73 2.225 -10.127 7.582 422 H VAL 74 H VAL 74 4.956 -10.142 6.408 423 HA VAL 74 HA VAL 74 4.321 -9.202 3.718 424 HB VAL 74 HB VAL 74 6.991 -9.696 5.098 425 HG11 VAL 74 1HG1 VAL 74 7.431 -9.985 2.748 426 HG12 VAL 74 2HG1 VAL 74 6.498 -8.534 2.333 427 HG13 VAL 74 3HG1 VAL 74 8.019 -8.396 3.234 428 HG21 VAL 74 3HG2 VAL 74 7.129 -7.229 5.104 429 HG22 VAL 74 1HG2 VAL 74 5.502 -7.138 4.410 430 HG23 VAL 74 2HG2 VAL 74 5.748 -7.817 6.036 431 H ASP 75 H ASP 75 5.988 -12.073 5.108 432 HA ASP 75 HA ASP 75 6.642 -13.468 2.799 433 HB2 ASP 75 1HB ASP 75 7.177 -14.062 5.194 434 HB3 ASP 75 2HB ASP 75 5.534 -14.641 5.389 435 H LYS 76 H LYS 76 3.478 -13.599 4.511 436 HA LYS 76 HA LYS 76 2.251 -15.498 2.758 437 HB2 LYS 76 1HB LYS 76 1.042 -13.279 4.456 438 HB3 LYS 76 2HB LYS 76 0.139 -14.614 3.704 439 HG2 LYS 76 1HG LYS 76 1.118 -16.261 5.095 440 HG3 LYS 76 2HG LYS 76 2.371 -15.154 5.679 441 HD2 LYS 76 1HD LYS 76 0.570 -13.698 6.656 442 HD3 LYS 76 2HD LYS 76 -0.644 -14.899 6.164 443 HE2 LYS 76 1HE LYS 76 0.454 -16.582 7.598 444 HE3 LYS 76 2HE LYS 76 1.708 -15.401 8.029 445 HZ1 LYS 76 3HZ LYS 76 0.053 -15.451 9.757 446 HZ2 LYS 76 1HZ LYS 76 -0.092 -14.010 8.980 447 HZ3 LYS 76 2HZ LYS 76 -1.173 -15.207 8.703 448 H VAL 77 H VAL 77 2.389 -11.943 2.581 449 HA VAL 77 HA VAL 77 0.458 -11.744 0.444 450 HB VAL 77 HB VAL 77 2.533 -9.756 1.413 451 HG11 VAL 77 1HG1 VAL 77 1.940 -9.115 -0.892 452 HG12 VAL 77 2HG1 VAL 77 0.212 -9.268 -0.507 453 HG13 VAL 77 3HG1 VAL 77 1.197 -8.006 0.260 454 HG21 VAL 77 3HG2 VAL 77 0.611 -8.677 2.518 455 HG22 VAL 77 1HG2 VAL 77 -0.510 -9.848 1.790 456 HG23 VAL 77 2HG2 VAL 77 0.645 -10.375 3.012 457 H LEU 78 H LEU 78 3.996 -12.193 0.491 458 HA LEU 78 HA LEU 78 4.311 -11.928 -2.407 459 HB2 LEU 78 1HB LEU 78 6.038 -13.297 -0.313 460 HB3 LEU 78 2HB LEU 78 6.551 -12.837 -1.932 461 HG LEU 78 HG LEU 78 5.648 -10.820 0.176 462 HD11 LEU 78 1HD1 LEU 78 7.514 -12.104 0.972 463 HD12 LEU 78 2HD1 LEU 78 8.405 -11.865 -0.548 464 HD13 LEU 78 3HD1 LEU 78 8.085 -10.475 0.525 465 HD21 LEU 78 3HD2 LEU 78 6.847 -9.198 -1.245 466 HD22 LEU 78 1HD2 LEU 78 7.127 -10.465 -2.460 467 HD23 LEU 78 2HD2 LEU 78 5.469 -9.928 -2.076 468 H ALA 79 H ALA 79 3.933 -14.635 -0.122 469 HA ALA 79 HA ALA 79 4.357 -16.695 -2.004 470 HB1 ALA 79 1HB ALA 79 4.578 -16.960 0.434 471 HB2 ALA 79 2HB ALA 79 2.822 -16.743 0.633 472 HB3 ALA 79 3HB ALA 79 3.455 -18.164 -0.224 473 H GLN 80 H GLN 80 1.397 -14.894 -1.368 474 HA GLN 80 HA GLN 80 -0.343 -16.813 -2.749 475 HB2 GLN 80 1HB GLN 80 -1.115 -15.523 -0.813 476 HB3 GLN 80 2HB GLN 80 -0.861 -14.010 -1.686 477 HG2 GLN 80 1HG GLN 80 -2.584 -14.595 -3.310 478 HG3 GLN 80 2HG GLN 80 -2.744 -16.219 -2.640 479 HE21 GLN 80 2HE2 GLN 80 -4.416 -13.419 -2.789 480 HE22 GLN 80 1HE2 GLN 80 -5.236 -13.519 -1.228 481 H SER 81 H SER 81 -1.159 -16.657 -4.829 482 HA SER 81 HA SER 81 0.624 -15.307 -6.677 483 HB2 SER 81 1HB SER 81 -0.274 -17.687 -6.771 484 HB3 SER 81 2HB SER 81 -1.798 -16.996 -7.350 485 HG SER 81 HG SER 81 -0.378 -17.656 -9.063 486 H ARG 82 H ARG 82 -2.422 -14.322 -5.416 487 HA ARG 82 HA ARG 82 -2.579 -12.033 -7.215 488 HB2 ARG 82 1HB ARG 82 -3.682 -13.774 -8.588 489 HB3 ARG 82 2HB ARG 82 -4.816 -14.112 -7.273 490 HG2 ARG 82 1HG ARG 82 -5.762 -11.861 -7.454 491 HG3 ARG 82 2HG ARG 82 -4.521 -11.397 -8.633 492 HD2 ARG 82 1HD ARG 82 -5.455 -12.988 -10.254 493 HD3 ARG 82 2HD ARG 82 -6.651 -13.534 -9.074 494 HE ARG 82 HE ARG 82 -6.594 -10.958 -10.535 495 HH11 ARG 82 1HH1 ARG 82 -8.329 -12.812 -8.011 496 HH12 ARG 82 2HH1 ARG 82 -9.595 -11.586 -7.975 497 HH21 ARG 82 1HH2 ARG 82 -8.271 -9.461 -10.243 498 HH22 ARG 82 2HH2 ARG 82 -9.599 -9.909 -9.167 499 H HIS 83 H HIS 83 -3.890 -10.382 -6.467 500 HA HIS 83 HA HIS 83 -5.429 -10.715 -3.952 501 HB2 HIS 83 1HB HIS 83 -3.210 -8.696 -4.472 502 HB3 HIS 83 2HB HIS 83 -4.355 -8.588 -3.129 503 HD1 HIS 83 1HD HIS 83 -4.099 -10.540 -1.210 504 HD2 HIS 83 2HD HIS 83 -1.147 -10.339 -4.196 505 HE1 HIS 83 1HE HIS 83 -2.103 -11.891 -0.348 506 H GLU 84 H GLU 84 -7.028 -9.006 -3.636 507 HA GLU 84 HA GLU 84 -7.674 -7.246 -5.913 508 HB2 GLU 84 1HB GLU 84 -8.500 -9.547 -6.518 509 HB3 GLU 84 2HB GLU 84 -9.519 -9.515 -5.075 510 HG2 GLU 84 1HG GLU 84 -10.602 -7.401 -6.020 511 HG3 GLU 84 2HG GLU 84 -9.676 -7.676 -7.500 512 H LEU 85 H LEU 85 -8.681 -5.473 -5.241 513 HA LEU 85 HA LEU 85 -10.309 -5.400 -2.782 514 HB2 LEU 85 1HB LEU 85 -8.064 -5.045 -1.928 515 HB3 LEU 85 2HB LEU 85 -7.722 -3.858 -3.192 516 HG LEU 85 HG LEU 85 -9.367 -2.298 -2.185 517 HD11 LEU 85 1HD1 LEU 85 -10.940 -3.808 -1.084 518 HD12 LEU 85 2HD1 LEU 85 -9.652 -4.471 -0.061 519 HD13 LEU 85 3HD1 LEU 85 -10.181 -2.793 0.154 520 HD21 LEU 85 3HD2 LEU 85 -8.020 -1.761 -0.195 521 HD22 LEU 85 1HD2 LEU 85 -7.278 -3.374 -0.238 522 HD23 LEU 85 2HD2 LEU 85 -6.984 -2.222 -1.558 523 H ASP 86 H ASP 86 -12.014 -4.136 -3.088 524 HA ASP 86 HA ASP 86 -13.625 -3.013 -4.163 525 HB2 ASP 86 1HB ASP 86 -12.139 -1.115 -3.467 526 HB3 ASP 86 2HB ASP 86 -11.472 -1.092 -5.097 527 H SER 87 H SER 87 -12.717 -5.231 -5.508 528 HA SER 87 HA SER 87 -12.973 -6.401 -7.432 529 HB2 SER 87 1HB SER 87 -14.422 -3.977 -8.544 530 HB3 SER 87 2HB SER 87 -14.479 -5.635 -9.145 531 HG SER 87 HG SER 87 -15.369 -4.754 -6.578 532 H LYS 88 H LYS 88 -10.608 -4.442 -7.147 533 HA LYS 88 HA LYS 88 -9.656 -4.525 -9.992 534 HB2 LYS 88 1HB LYS 88 -9.352 -2.491 -7.769 535 HB3 LYS 88 2HB LYS 88 -8.048 -2.672 -8.928 536 HG2 LYS 88 1HG LYS 88 -10.880 -2.297 -9.942 537 HG3 LYS 88 2HG LYS 88 -9.957 -0.913 -9.344 538 HD2 LYS 88 1HD LYS 88 -8.191 -1.248 -10.936 539 HD3 LYS 88 2HD LYS 88 -8.882 -2.783 -11.495 540 HE2 LYS 88 1HE LYS 88 -10.779 -1.696 -12.486 541 HE3 LYS 88 2HE LYS 88 -10.418 -0.162 -11.702 542 HZ1 LYS 88 3HZ LYS 88 -9.688 -0.153 -14.022 543 HZ2 LYS 88 1HZ LYS 88 -8.371 -0.037 -13.060 544 HZ3 LYS 88 2HZ LYS 88 -8.735 -1.456 -13.786 545 H THR 89 H THR 89 -7.909 -5.735 -10.378 546 HA THR 89 HA THR 89 -6.714 -7.454 -8.392 547 HB THR 89 HB THR 89 -5.646 -6.757 -11.160 548 HG1 THR 89 1HG THR 89 -6.984 -8.266 -11.934 549 HG21 THR 89 3HG2 THR 89 -4.758 -9.100 -11.023 550 HG22 THR 89 1HG2 THR 89 -4.058 -8.041 -9.790 551 HG23 THR 89 2HG2 THR 89 -5.332 -9.191 -9.338 552 H ILE 90 H ILE 90 -5.223 -6.857 -6.908 553 HA ILE 90 HA ILE 90 -3.628 -4.379 -7.423 554 HB ILE 90 HB ILE 90 -3.305 -4.113 -5.105 555 HG12 ILE 90 1HG1 ILE 90 -4.840 -6.658 -4.559 556 HG13 ILE 90 2HG1 ILE 90 -3.086 -6.441 -4.406 557 HG21 ILE 90 1HG2 ILE 90 -5.483 -3.347 -6.164 558 HG22 ILE 90 2HG2 ILE 90 -6.253 -4.810 -5.518 559 HG23 ILE 90 3HG2 ILE 90 -5.601 -3.599 -4.422 560 HD11 ILE 90 3HD1 ILE 90 -3.947 -6.203 -2.223 561 HD12 ILE 90 1HD1 ILE 90 -3.544 -4.557 -2.774 562 HD13 ILE 90 2HD1 ILE 90 -5.238 -5.109 -2.752 563 H ASP 91 H ASP 91 -1.439 -4.296 -6.760 564 HA ASP 91 HA ASP 91 0.051 -6.857 -7.222 565 HB2 ASP 91 1HB ASP 91 -0.215 -5.591 -9.289 566 HB3 ASP 91 2HB ASP 91 0.438 -4.144 -8.521 567 HA PRO 92 HA PRO 92 1.954 -4.751 -3.638 568 HB2 PRO 92 1HB PRO 92 1.600 -6.677 -1.718 569 HB3 PRO 92 2HB PRO 92 0.403 -5.424 -2.129 570 HG2 PRO 92 1HG PRO 92 0.304 -8.319 -2.775 571 HG3 PRO 92 2HG PRO 92 -1.023 -7.104 -2.686 572 HD2 PRO 92 1HD PRO 92 0.330 -8.095 -5.029 573 HD3 PRO 92 2HD PRO 92 -0.980 -6.901 -4.904 574 H LYS 93 H LYS 93 4.019 -4.911 -2.941 575 HA LYS 93 HA LYS 93 5.703 -7.289 -3.353 576 HB2 LYS 93 1HB LYS 93 7.050 -6.301 -5.118 577 HB3 LYS 93 2HB LYS 93 5.366 -6.285 -5.624 578 HG2 LYS 93 1HG LYS 93 5.325 -3.847 -4.661 579 HG3 LYS 93 2HG LYS 93 7.077 -3.969 -4.637 580 HD2 LYS 93 1HD LYS 93 6.411 -2.817 -6.632 581 HD3 LYS 93 2HD LYS 93 7.050 -4.401 -7.108 582 HE2 LYS 93 1HE LYS 93 4.776 -5.273 -7.399 583 HE3 LYS 93 2HE LYS 93 4.073 -3.800 -6.731 584 HZ1 LYS 93 3HZ LYS 93 4.021 -3.903 -9.161 585 HZ2 LYS 93 1HZ LYS 93 4.851 -2.583 -8.650 586 HZ3 LYS 93 2HZ LYS 93 5.654 -3.893 -9.239 587 H VAL 94 H VAL 94 8.054 -6.769 -2.815 588 HA VAL 94 HA VAL 94 8.169 -5.488 -0.242 589 HB VAL 94 HB VAL 94 10.471 -6.351 -2.040 590 HG11 VAL 94 1HG1 VAL 94 11.315 -4.781 -0.350 591 HG12 VAL 94 2HG1 VAL 94 10.438 -5.647 0.934 592 HG13 VAL 94 3HG1 VAL 94 11.795 -6.419 0.086 593 HG21 VAL 94 3HG2 VAL 94 10.534 -8.346 -0.528 594 HG22 VAL 94 1HG2 VAL 94 9.046 -7.775 0.257 595 HG23 VAL 94 2HG2 VAL 94 9.039 -8.254 -1.455 596 H ALA 95 H ALA 95 8.784 -3.492 0.412 597 HA ALA 95 HA ALA 95 8.740 -1.352 -1.567 598 HB1 ALA 95 1HB ALA 95 7.506 -1.184 0.548 599 HB2 ALA 95 2HB ALA 95 9.018 -1.336 1.467 600 HB3 ALA 95 3HB ALA 95 8.733 0.091 0.453 601 H PHE 96 H PHE 96 10.391 -0.163 -2.359 602 HA PHE 96 HA PHE 96 13.157 -0.651 -1.858 603 HB2 PHE 96 1HB PHE 96 11.875 1.917 -2.858 604 HB3 PHE 96 2HB PHE 96 13.545 1.434 -3.081 605 HD1 PHE 96 2HD PHE 96 12.812 -1.568 -3.917 606 HD2 PHE 96 1HD PHE 96 11.476 2.344 -5.165 607 HE1 PHE 96 2HE PHE 96 12.217 -2.472 -6.141 608 HE2 PHE 96 1HE PHE 96 10.881 1.431 -7.386 609 HZ PHE 96 HZ PHE 96 11.248 -0.982 -7.882 610 HA PRO 97 HA PRO 97 13.435 1.084 2.132 611 HB2 PRO 97 1HB PRO 97 16.121 1.536 2.470 612 HB3 PRO 97 2HB PRO 97 15.393 -0.097 2.355 613 HG2 PRO 97 1HG PRO 97 16.664 1.533 0.131 614 HG3 PRO 97 2HG PRO 97 16.999 -0.174 0.579 615 HD2 PRO 97 1HD PRO 97 15.287 0.431 -1.432 616 HD3 PRO 97 2HD PRO 97 14.915 -0.903 -0.296 617 H ARG 98 H ARG 98 13.223 2.894 3.196 618 HA ARG 98 HA ARG 98 14.338 5.480 2.397 619 HB2 ARG 98 1HB ARG 98 11.372 4.797 2.413 620 HB3 ARG 98 2HB ARG 98 11.908 6.436 2.669 621 HG2 ARG 98 1HG ARG 98 12.498 4.855 0.148 622 HG3 ARG 98 2HG ARG 98 11.142 5.944 0.395 623 HD2 ARG 98 1HD ARG 98 12.758 7.097 -0.891 624 HD3 ARG 98 2HD ARG 98 12.615 7.866 0.674 625 HE ARG 98 HE ARG 98 14.856 6.071 -0.185 626 HH11 ARG 98 1HH1 ARG 98 13.797 8.715 1.962 627 HH12 ARG 98 2HH1 ARG 98 15.437 9.127 2.366 628 HH21 ARG 98 1HH2 ARG 98 16.912 6.649 0.433 629 HH22 ARG 98 2HH2 ARG 98 17.165 7.940 1.568 630 H ARG 99 H ARG 99 13.688 7.203 3.985 631 HA ARG 99 HA ARG 99 13.709 6.097 6.774 632 HB2 ARG 99 1HB ARG 99 15.172 8.545 5.712 633 HB3 ARG 99 2HB ARG 99 15.179 7.962 7.371 634 HG2 ARG 99 1HG ARG 99 16.413 6.620 4.934 635 HG3 ARG 99 2HG ARG 99 17.252 7.362 6.288 636 HD2 ARG 99 1HD ARG 99 15.635 4.790 6.325 637 HD3 ARG 99 2HD ARG 99 17.376 4.953 6.468 638 HE ARG 99 HE ARG 99 16.996 6.174 8.619 639 HH11 ARG 99 1HH1 ARG 99 14.507 3.869 7.565 640 HH12 ARG 99 2HH1 ARG 99 13.964 3.597 9.194 641 HH21 ARG 99 1HH2 ARG 99 16.221 5.783 10.671 642 HH22 ARG 99 2HH2 ARG 99 14.911 4.669 10.918 643 H ALA 100 H ALA 100 11.955 6.600 7.857 644 HA ALA 100 HA ALA 100 10.070 8.630 7.113 645 HB1 ALA 100 1HB ALA 100 9.449 6.578 8.335 646 HB2 ALA 100 2HB ALA 100 10.415 7.104 9.736 647 HB3 ALA 100 3HB ALA 100 8.978 8.024 9.246 648 H GLN 101 H GLN 101 9.618 10.633 8.025 649 HA GLN 101 HA GLN 101 11.952 11.970 9.312 650 HB2 GLN 101 1HB GLN 101 9.724 13.088 7.565 651 HB3 GLN 101 2HB GLN 101 11.073 14.009 8.228 652 HG2 GLN 101 1HG GLN 101 11.266 11.734 6.198 653 HG3 GLN 101 2HG GLN 101 11.459 13.445 5.865 654 HE21 GLN 101 2HE2 GLN 101 13.275 10.699 6.179 655 HE22 GLN 101 1HE2 GLN 101 14.752 11.442 6.789 656 HA PRO 102 HA PRO 102 9.231 12.653 12.804 657 HB2 PRO 102 1HB PRO 102 10.786 14.239 14.371 658 HB3 PRO 102 2HB PRO 102 11.192 12.524 14.047 659 HG2 PRO 102 1HG PRO 102 12.278 14.990 12.642 660 HG3 PRO 102 2HG PRO 102 13.198 13.611 13.326 661 HD2 PRO 102 1HD PRO 102 12.535 13.762 10.675 662 HD3 PRO 102 2HD PRO 102 12.590 12.199 11.549 663 H LYS 103 H LYS 103 7.822 14.190 13.642 664 HA LYS 103 HA LYS 103 7.947 17.011 13.026 665 HB2 LYS 103 1HB LYS 103 7.115 15.984 10.848 666 HB3 LYS 103 2HB LYS 103 5.725 15.375 11.725 667 HG2 LYS 103 1HG LYS 103 5.198 17.419 10.485 668 HG3 LYS 103 2HG LYS 103 4.960 17.643 12.212 669 HD2 LYS 103 1HD LYS 103 5.978 19.612 11.119 670 HD3 LYS 103 2HD LYS 103 7.009 18.955 12.390 671 HE2 LYS 103 1HE LYS 103 8.382 17.785 10.673 672 HE3 LYS 103 2HE LYS 103 7.336 18.425 9.399 673 HZ1 LYS 103 3HZ LYS 103 9.336 19.775 9.671 674 HZ2 LYS 103 1HZ LYS 103 8.029 20.670 10.057 675 HZ3 LYS 103 2HZ LYS 103 8.992 20.075 11.237 676 H5' G 104 H5' G 104 -5.169 -0.959 -13.905 677 H5'' G 104 H5" G 104 -3.531 -0.535 -13.389 678 H4' G 104 H4' G 104 -4.628 1.377 -14.420 679 H3' G 104 H3' G 104 -3.494 1.490 -11.780 680 H2' G 104 H2' G 104 -5.450 2.085 -10.722 681 HO2' G 104 HO2 G 104 -4.335 4.352 -11.896 682 H1' G 104 H1' G 104 -6.402 3.389 -13.308 683 H8 G 104 8H G 104 -7.445 2.609 -9.823 684 H1 G 104 1H G 104 -12.416 3.230 -13.876 685 H21 G 104 1H2 G 104 -11.628 3.192 -15.991 686 H22 G 104 2H2 G 104 -9.906 2.993 -16.269 687 HO5' G 104 H5T G 104 -4.819 -1.772 -11.816 688 H5' U 105 H5' U 105 -2.173 3.007 -10.663 689 H5'' U 105 H5" U 105 -1.230 4.304 -11.396 690 H4' U 105 H4' U 105 -0.251 3.641 -9.291 691 H3' U 105 H3' U 105 1.167 3.929 -11.629 692 H2' U 105 H2' U 105 1.367 1.674 -12.151 693 HO2' U 105 HO2 U 105 3.573 2.659 -11.210 694 H1' U 105 H1' U 105 1.777 0.882 -9.284 695 H3 U 105 3H U 105 1.859 -3.477 -10.577 696 H5 U 105 5H U 105 -1.554 -1.990 -12.482 697 H6 U 105 6H U 105 -1.011 0.230 -11.649 698 H5' A 106 H5' A 106 4.983 3.836 -8.520 699 H5'' A 106 H5" A 106 3.652 4.192 -7.410 700 H4' A 106 H4' A 106 4.880 6.086 -6.462 701 H3' A 106 H3' A 106 6.342 6.341 -8.734 702 H2' A 106 H2' A 106 7.221 4.136 -8.681 703 HO2' A 106 HO2 A 106 9.065 5.991 -7.631 704 H1' A 106 H1' A 106 7.977 4.507 -5.765 705 H8 A 106 8H A 106 6.921 1.923 -8.482 706 H61 A 106 1H6 A 106 9.007 -2.133 -4.156 707 H62 A 106 2H6 A 106 8.470 -2.041 -5.834 708 H2 A 106 2H A 106 9.136 1.795 -2.440 709 H5' G 107 H5' G 107 7.982 8.064 -4.250 710 H5'' G 107 H5" G 107 7.159 6.525 -3.990 711 H4' G 107 H4' G 107 5.926 8.925 -2.681 712 H3' G 107 H3' G 107 8.613 7.792 -1.864 713 H2' G 107 H2' G 107 7.970 8.214 0.396 714 HO2' G 107 HO2 G 107 7.084 10.399 -0.188 715 H1' G 107 H1' G 107 5.203 7.700 -0.031 716 H8 G 107 8H G 107 5.134 6.197 1.992 717 H1 G 107 1H G 107 10.286 2.790 0.151 718 H21 G 107 1H2 G 107 11.054 3.616 -1.767 719 H22 G 107 2H2 G 107 10.216 4.939 -2.563 720 H5' U 108 H5' U 108 10.316 12.208 0.763 721 H5'' U 108 H5" U 108 11.542 11.015 0.329 722 H4' U 108 H4' U 108 11.545 11.201 2.673 723 H3' U 108 H3' U 108 10.796 8.677 1.483 724 HO3' U 108 H3T U 108 12.010 8.984 4.012 725 H2' U 108 H2' U 108 8.875 8.418 2.684 726 HO2' U 108 HO2 U 108 10.077 6.929 3.903 727 H1' U 108 H1' U 108 9.917 10.241 4.854 728 H3 U 108 3H U 108 5.985 10.250 7.094 729 H5 U 108 5H U 108 4.751 9.769 3.122 730 H6 U 108 6H U 108 7.090 9.899 2.424 Start of MODEL 2 1 H CYS 20 1H CYS 20 10.516 -4.084 6.567 2 HA CYS 20 HA CYS 20 9.164 -6.056 6.302 3 HB2 CYS 20 1HB CYS 20 7.937 -5.228 8.981 4 HB3 CYS 20 2HB CYS 20 7.391 -6.555 7.962 5 HG CYS 20 HG CYS 20 8.752 -7.435 10.080 6 H LYS 21 H LYS 21 8.843 -4.399 4.530 7 HA LYS 21 HA LYS 21 6.204 -3.073 4.757 8 HB2 LYS 21 1HB LYS 21 7.955 -1.493 5.604 9 HB3 LYS 21 2HB LYS 21 8.744 -1.549 4.028 10 HG2 LYS 21 1HG LYS 21 6.815 -0.512 2.956 11 HG3 LYS 21 2HG LYS 21 5.835 -0.712 4.413 12 HD2 LYS 21 1HD LYS 21 7.318 0.868 5.628 13 HD3 LYS 21 2HD LYS 21 8.285 1.079 4.159 14 HE2 LYS 21 1HE LYS 21 6.386 1.983 2.947 15 HE3 LYS 21 2HE LYS 21 5.270 1.578 4.269 16 HZ1 LYS 21 3HZ LYS 21 6.094 3.959 4.062 17 HZ2 LYS 21 1HZ LYS 21 6.101 3.302 5.568 18 HZ3 LYS 21 2HZ LYS 21 7.504 3.444 4.692 19 H MET 22 H MET 22 5.177 -2.555 2.896 20 HA MET 22 HA MET 22 6.231 -3.659 0.333 21 HB2 MET 22 1HB MET 22 3.528 -4.249 1.617 22 HB3 MET 22 2HB MET 22 4.053 -4.767 0.012 23 HG2 MET 22 1HG MET 22 5.993 -5.973 1.137 24 HG3 MET 22 2HG MET 22 5.263 -5.561 2.683 25 HE1 MET 22 3HE MET 22 3.931 -8.673 -0.382 26 HE2 MET 22 1HE MET 22 3.704 -6.963 -0.804 27 HE3 MET 22 2HE MET 22 5.328 -7.583 -0.428 28 H PHE 23 H PHE 23 5.664 -2.659 -1.425 29 HA PHE 23 HA PHE 23 4.031 -0.178 -1.456 30 HB2 PHE 23 1HB PHE 23 6.077 -0.048 -2.696 31 HB3 PHE 23 2HB PHE 23 5.853 -1.640 -3.404 32 HD1 PHE 23 2HD PHE 23 4.104 -2.015 -5.178 33 HD2 PHE 23 1HD PHE 23 5.120 1.924 -3.763 34 HE1 PHE 23 2HE PHE 23 3.114 -1.033 -7.214 35 HE2 PHE 23 1HE PHE 23 4.129 2.894 -5.811 36 HZ PHE 23 HZ PHE 23 3.124 1.440 -7.540 37 H ILE 24 H ILE 24 2.012 -0.169 -2.401 38 HA ILE 24 HA ILE 24 0.852 -2.828 -3.211 39 HB ILE 24 HB ILE 24 -0.677 -0.597 -1.849 40 HG12 ILE 24 1HG1 ILE 24 0.948 -1.176 -0.181 41 HG13 ILE 24 2HG1 ILE 24 -0.639 -1.766 0.255 42 HG21 ILE 24 1HG2 ILE 24 -1.924 -2.255 -3.187 43 HG22 ILE 24 2HG2 ILE 24 -1.248 -3.568 -2.211 44 HG23 ILE 24 3HG2 ILE 24 -2.316 -2.361 -1.462 45 HD11 ILE 24 3HD1 ILE 24 1.204 -3.329 0.831 46 HD12 ILE 24 1HD1 ILE 24 -0.013 -4.054 -0.219 47 HD13 ILE 24 2HD1 ILE 24 1.551 -3.549 -0.887 48 H GLY 25 H GLY 25 0.927 -2.635 -5.430 49 HA2 GLY 25 1HA GLY 25 0.024 -0.129 -6.758 50 HA3 GLY 25 2HA GLY 25 0.794 -1.538 -7.511 51 H GLY 26 H GLY 26 -1.353 -0.357 -8.702 52 HA2 GLY 26 1HA GLY 26 -3.111 -1.168 -9.968 53 HA3 GLY 26 2HA GLY 26 -2.988 -2.719 -9.113 54 H LEU 27 H LEU 27 -3.484 0.098 -7.141 55 HA LEU 27 HA LEU 27 -5.952 -0.945 -6.048 56 HB2 LEU 27 1HB LEU 27 -4.665 1.801 -5.724 57 HB3 LEU 27 2HB LEU 27 -5.952 1.153 -4.734 58 HG LEU 27 HG LEU 27 -3.095 0.098 -4.828 59 HD11 LEU 27 1HD1 LEU 27 -3.471 2.279 -3.659 60 HD12 LEU 27 2HD1 LEU 27 -4.688 1.508 -2.639 61 HD13 LEU 27 3HD1 LEU 27 -2.991 0.983 -2.548 62 HD21 LEU 27 3HD2 LEU 27 -3.979 -1.240 -2.793 63 HD22 LEU 27 1HD2 LEU 27 -5.582 -0.997 -3.508 64 HD23 LEU 27 2HD2 LEU 27 -4.299 -1.819 -4.428 65 H SER 28 H SER 28 -7.901 0.427 -5.749 66 HA SER 28 HA SER 28 -8.942 1.521 -8.313 67 HB2 SER 28 1HB SER 28 -10.424 0.064 -7.035 68 HB3 SER 28 2HB SER 28 -10.160 1.017 -5.574 69 HG SER 28 HG SER 28 -12.109 1.521 -6.529 70 H TRP 29 H TRP 29 -9.525 3.746 -8.521 71 HA TRP 29 HA TRP 29 -8.174 5.730 -6.951 72 HB2 TRP 29 1HB TRP 29 -10.471 5.822 -8.898 73 HB3 TRP 29 2HB TRP 29 -9.897 7.258 -8.052 74 HD1 TRP 29 HD TRP 29 -6.889 5.334 -8.801 75 HE1 TRP 29 1HE TRP 29 -5.742 6.114 -10.927 76 HE3 TRP 29 3HE TRP 29 -10.682 8.173 -10.755 77 HZ2 TRP 29 2HZ TRP 29 -6.332 7.861 -13.165 78 HZ3 TRP 29 3HZ TRP 29 -10.370 9.354 -12.915 79 HH2 TRP 29 HH TRP 29 -8.205 9.207 -14.128 80 H GLN 30 H GLN 30 -10.929 3.878 -6.135 81 HA GLN 30 HA GLN 30 -11.762 5.826 -4.025 82 HB2 GLN 30 1HB GLN 30 -13.136 3.266 -4.904 83 HB3 GLN 30 2HB GLN 30 -13.778 4.501 -3.828 84 HG2 GLN 30 1HG GLN 30 -13.264 4.754 -6.817 85 HG3 GLN 30 2HG GLN 30 -14.821 4.700 -6.011 86 HE21 GLN 30 2HE2 GLN 30 -13.541 6.833 -7.796 87 HE22 GLN 30 1HE2 GLN 30 -13.662 8.292 -6.825 88 H THR 31 H THR 31 -9.491 3.359 -4.236 89 HA THR 31 HA THR 31 -9.977 2.025 -1.702 90 HB THR 31 HB THR 31 -7.378 2.378 -3.258 91 HG1 THR 31 1HG THR 31 -9.271 0.253 -3.204 92 HG21 THR 31 3HG2 THR 31 -6.784 0.229 -2.052 93 HG22 THR 31 1HG2 THR 31 -6.856 1.648 -1.007 94 HG23 THR 31 2HG2 THR 31 -8.196 0.477 -1.009 95 H THR 32 H THR 32 -9.313 2.555 0.307 96 HA THR 32 HA THR 32 -7.744 5.058 0.764 97 HB THR 32 HB THR 32 -8.948 5.344 2.861 98 HG1 THR 32 1HG THR 32 -10.796 3.943 3.201 99 HG21 THR 32 3HG2 THR 32 -11.132 5.985 2.050 100 HG22 THR 32 1HG2 THR 32 -9.943 6.342 0.786 101 HG23 THR 32 2HG2 THR 32 -10.993 4.916 0.641 102 H GLN 33 H GLN 33 -6.458 5.020 2.759 103 HA GLN 33 HA GLN 33 -4.952 2.566 3.022 104 HB2 GLN 33 1HB GLN 33 -3.678 3.813 4.747 105 HB3 GLN 33 2HB GLN 33 -3.787 4.546 3.159 106 HG2 GLN 33 1HG GLN 33 -5.633 6.062 4.081 107 HG3 GLN 33 2HG GLN 33 -5.181 5.461 5.683 108 HE21 GLN 33 2HE2 GLN 33 -3.807 7.003 6.676 109 HE22 GLN 33 1HE2 GLN 33 -2.609 7.937 5.796 110 H GLU 34 H GLU 34 -7.693 3.801 4.799 111 HA GLU 34 HA GLU 34 -7.499 1.854 6.965 112 HB2 GLU 34 1HB GLU 34 -9.877 3.385 5.831 113 HB3 GLU 34 2HB GLU 34 -9.926 2.347 7.263 114 HG2 GLU 34 1HG GLU 34 -8.199 3.775 8.354 115 HG3 GLU 34 2HG GLU 34 -8.206 4.848 6.951 116 H GLY 35 H GLY 35 -8.915 1.901 3.672 117 HA2 GLY 35 1HA GLY 35 -10.106 -0.728 3.759 118 HA3 GLY 35 2HA GLY 35 -9.686 0.218 2.311 119 H LEU 36 H LEU 36 -6.838 0.466 2.814 120 HA LEU 36 HA LEU 36 -5.809 -2.104 2.076 121 HB2 LEU 36 1HB LEU 36 -4.251 0.156 3.433 122 HB3 LEU 36 2HB LEU 36 -3.580 -1.231 2.608 123 HG LEU 36 HG LEU 36 -4.998 1.123 1.351 124 HD11 LEU 36 1HD1 LEU 36 -2.597 1.358 1.950 125 HD12 LEU 36 2HD1 LEU 36 -2.223 -0.062 0.949 126 HD13 LEU 36 3HD1 LEU 36 -2.863 1.409 0.195 127 HD21 LEU 36 3HD2 LEU 36 -4.605 -0.006 -0.831 128 HD22 LEU 36 1HD2 LEU 36 -4.205 -1.504 0.040 129 HD23 LEU 36 2HD2 LEU 36 -5.833 -0.784 0.164 130 H ARG 37 H ARG 37 -5.735 -0.496 5.315 131 HA ARG 37 HA ARG 37 -4.644 -2.724 6.685 132 HB2 ARG 37 1HB ARG 37 -4.863 -0.494 7.658 133 HB3 ARG 37 2HB ARG 37 -6.627 -0.620 7.650 134 HG2 ARG 37 1HG ARG 37 -6.528 -2.500 9.261 135 HG3 ARG 37 2HG ARG 37 -4.758 -2.447 9.221 136 HD2 ARG 37 1HD ARG 37 -4.934 -0.026 9.980 137 HD3 ARG 37 2HD ARG 37 -6.666 -0.282 10.177 138 HE ARG 37 HE ARG 37 -4.496 -1.224 11.902 139 HH11 ARG 37 1HH1 ARG 37 -7.906 -1.789 11.121 140 HH12 ARG 37 2HH1 ARG 37 -8.211 -2.571 12.643 141 HH21 ARG 37 1HH2 ARG 37 -4.967 -2.238 13.837 142 HH22 ARG 37 2HH2 ARG 37 -6.572 -2.823 14.150 143 H GLU 38 H GLU 38 -8.050 -2.061 5.879 144 HA GLU 38 HA GLU 38 -9.206 -4.210 7.238 145 HB2 GLU 38 1HB GLU 38 -10.190 -2.160 5.754 146 HB3 GLU 38 2HB GLU 38 -10.362 -3.451 4.561 147 HG2 GLU 38 1HG GLU 38 -11.572 -4.792 6.314 148 HG3 GLU 38 2HG GLU 38 -11.390 -3.418 7.417 149 H TYR 39 H TYR 39 -7.660 -4.195 4.020 150 HA TYR 39 HA TYR 39 -8.314 -7.004 3.465 151 HB2 TYR 39 1HB TYR 39 -8.207 -5.249 1.726 152 HB3 TYR 39 2HB TYR 39 -6.487 -5.043 2.033 153 HD1 TYR 39 1HD TYR 39 -9.052 -7.613 1.087 154 HD2 TYR 39 2HD TYR 39 -4.908 -6.438 0.908 155 HE1 TYR 39 1HE TYR 39 -8.567 -9.568 -0.364 156 HE2 TYR 39 2HE TYR 39 -4.417 -8.373 -0.562 157 HH TYR 39 HH TYR 39 -6.967 -10.761 -1.466 158 H PHE 40 H PHE 40 -5.431 -5.148 4.442 159 HA PHE 40 HA PHE 40 -3.724 -7.473 4.268 160 HB2 PHE 40 1HB PHE 40 -3.276 -4.570 4.907 161 HB3 PHE 40 2HB PHE 40 -2.003 -5.725 5.173 162 HD1 PHE 40 1HD PHE 40 -1.688 -7.506 3.103 163 HD2 PHE 40 2HD PHE 40 -3.403 -3.570 2.741 164 HE1 PHE 40 1HE PHE 40 -1.331 -7.568 0.653 165 HE2 PHE 40 2HE PHE 40 -3.056 -3.641 0.299 166 HZ PHE 40 HZ PHE 40 -2.027 -5.640 -0.758 167 H GLY 41 H GLY 41 -5.555 -6.150 6.886 168 HA2 GLY 41 1HA GLY 41 -4.177 -7.340 9.083 169 HA3 GLY 41 2HA GLY 41 -5.907 -6.958 9.007 170 H GLN 42 H GLN 42 -5.751 -8.929 6.488 171 HA GLN 42 HA GLN 42 -6.545 -11.379 7.850 172 HB2 GLN 42 1HB GLN 42 -5.825 -10.879 4.926 173 HB3 GLN 42 2HB GLN 42 -6.665 -12.292 5.567 174 HG2 GLN 42 1HG GLN 42 -8.562 -10.838 6.275 175 HG3 GLN 42 2HG GLN 42 -7.730 -9.439 5.591 176 HE21 GLN 42 2HE2 GLN 42 -7.208 -9.534 3.204 177 HE22 GLN 42 1HE2 GLN 42 -8.341 -10.396 2.166 178 H PHE 43 H PHE 43 -3.517 -10.115 6.604 179 HA PHE 43 HA PHE 43 -2.212 -12.787 6.650 180 HB2 PHE 43 1HB PHE 43 -1.212 -10.125 5.575 181 HB3 PHE 43 2HB PHE 43 -0.480 -11.696 5.328 182 HD1 PHE 43 2HD PHE 43 -1.611 -13.396 3.834 183 HD2 PHE 43 1HD PHE 43 -3.143 -9.419 4.296 184 HE1 PHE 43 2HE PHE 43 -2.951 -13.679 1.770 185 HE2 PHE 43 1HE PHE 43 -4.492 -9.681 2.228 186 HZ PHE 43 HZ PHE 43 -4.395 -11.824 0.960 187 H GLY 44 H GLY 44 -2.099 -9.647 8.253 188 HA2 GLY 44 1HA GLY 44 -0.952 -10.601 10.653 189 HA3 GLY 44 2HA GLY 44 0.345 -9.893 9.707 190 H GLU 45 H GLU 45 -0.404 -8.811 12.168 191 HA GLU 45 HA GLU 45 -2.215 -6.578 11.897 192 HB2 GLU 45 1HB GLU 45 -1.641 -7.624 14.053 193 HB3 GLU 45 2HB GLU 45 0.024 -7.043 13.911 194 HG2 GLU 45 1HG GLU 45 -0.717 -4.724 14.045 195 HG3 GLU 45 2HG GLU 45 -2.410 -5.205 13.892 196 H VAL 46 H VAL 46 -1.861 -4.604 10.977 197 HA VAL 46 HA VAL 46 0.736 -4.112 9.750 198 HB VAL 46 HB VAL 46 -0.201 -2.451 8.435 199 HG11 VAL 46 1HG1 VAL 46 -0.812 -4.785 7.820 200 HG12 VAL 46 2HG1 VAL 46 -2.367 -4.573 8.664 201 HG13 VAL 46 3HG1 VAL 46 -1.984 -3.582 7.251 202 HG21 VAL 46 3HG2 VAL 46 -2.521 -1.638 8.569 203 HG22 VAL 46 1HG2 VAL 46 -2.678 -2.430 10.162 204 HG23 VAL 46 2HG2 VAL 46 -1.514 -1.103 9.912 205 H LYS 47 H LYS 47 2.149 -2.586 10.201 206 HA LYS 47 HA LYS 47 2.053 -1.141 12.783 207 HB2 LYS 47 1HB LYS 47 3.985 -2.512 12.023 208 HB3 LYS 47 2HB LYS 47 4.217 -1.428 10.652 209 HG2 LYS 47 1HG LYS 47 4.679 0.453 12.195 210 HG3 LYS 47 2HG LYS 47 4.394 -0.603 13.583 211 HD2 LYS 47 1HD LYS 47 6.613 -0.910 11.511 212 HD3 LYS 47 2HD LYS 47 6.791 -0.236 13.136 213 HE2 LYS 47 1HE LYS 47 6.017 -2.441 14.086 214 HE3 LYS 47 2HE LYS 47 6.008 -3.101 12.441 215 HZ1 LYS 47 3HZ LYS 47 8.080 -3.609 13.586 216 HZ2 LYS 47 1HZ LYS 47 8.390 -2.635 12.310 217 HZ3 LYS 47 2HZ LYS 47 8.400 -2.026 13.829 218 H GLU 48 H GLU 48 1.672 -0.489 9.387 219 HA GLU 48 HA GLU 48 0.831 2.264 9.730 220 HB2 GLU 48 1HB GLU 48 3.219 2.681 9.855 221 HB3 GLU 48 2HB GLU 48 3.535 1.624 8.490 222 HG2 GLU 48 1HG GLU 48 2.426 3.206 6.958 223 HG3 GLU 48 2HG GLU 48 2.062 4.269 8.326 224 H CYS 49 H CYS 49 -0.317 2.943 7.907 225 HA CYS 49 HA CYS 49 -0.121 1.422 5.401 226 HB2 CYS 49 1HB CYS 49 -2.583 1.262 5.181 227 HB3 CYS 49 2HB CYS 49 -1.956 0.295 6.522 228 HG CYS 49 HG CYS 49 -4.373 1.674 6.826 229 H LEU 50 H LEU 50 -0.587 2.630 3.574 230 HA LEU 50 HA LEU 50 -1.207 5.516 3.833 231 HB2 LEU 50 1HB LEU 50 1.428 4.232 3.247 232 HB3 LEU 50 2HB LEU 50 0.970 5.492 2.124 233 HG LEU 50 HG LEU 50 1.244 5.854 5.131 234 HD11 LEU 50 1HD1 LEU 50 3.383 5.487 3.902 235 HD12 LEU 50 2HD1 LEU 50 2.966 6.817 2.796 236 HD13 LEU 50 3HD1 LEU 50 3.254 7.142 4.519 237 HD21 LEU 50 3HD2 LEU 50 1.100 8.307 4.551 238 HD22 LEU 50 1HD2 LEU 50 0.617 7.855 2.901 239 HD23 LEU 50 2HD2 LEU 50 -0.418 7.454 4.291 240 H VAL 51 H VAL 51 -2.180 6.370 2.077 241 HA VAL 51 HA VAL 51 -1.975 4.956 -0.561 242 HB VAL 51 HB VAL 51 -4.485 6.154 0.670 243 HG11 VAL 51 1HG1 VAL 51 -4.319 7.094 -1.592 244 HG12 VAL 51 2HG1 VAL 51 -3.949 5.491 -2.261 245 HG13 VAL 51 3HG1 VAL 51 -5.551 5.836 -1.568 246 HG21 VAL 51 3HG2 VAL 51 -5.456 3.980 -0.033 247 HG22 VAL 51 1HG2 VAL 51 -3.881 3.473 -0.672 248 HG23 VAL 51 2HG2 VAL 51 -4.095 3.741 1.071 249 H MET 52 H MET 52 -1.150 6.190 -2.068 250 HA MET 52 HA MET 52 -0.228 8.859 -1.228 251 HB2 MET 52 1HB MET 52 0.617 7.137 -3.571 252 HB3 MET 52 2HB MET 52 1.460 8.559 -2.945 253 HG2 MET 52 1HG MET 52 1.141 5.831 -1.656 254 HG3 MET 52 2HG MET 52 2.617 6.613 -2.155 255 HE1 MET 52 3HE MET 52 3.036 9.370 0.614 256 HE2 MET 52 1HE MET 52 3.395 8.907 -1.061 257 HE3 MET 52 2HE MET 52 1.832 9.664 -0.665 258 H ARG 53 H ARG 53 -2.660 9.322 -1.571 259 HA ARG 53 HA ARG 53 -3.611 9.568 -4.265 260 HB2 ARG 53 1HB ARG 53 -5.670 10.384 -3.312 261 HB3 ARG 53 2HB ARG 53 -5.092 9.010 -2.388 262 HG2 ARG 53 1HG ARG 53 -4.270 10.576 -0.616 263 HG3 ARG 53 2HG ARG 53 -4.892 11.934 -1.581 264 HD2 ARG 53 1HD ARG 53 -7.166 10.804 -1.536 265 HD3 ARG 53 2HD ARG 53 -6.500 9.651 -0.366 266 HE ARG 53 HE ARG 53 -5.909 12.173 0.669 267 HH11 ARG 53 1HH2 ARG 53 -8.901 10.443 -0.103 268 HH12 ARG 53 2HH2 ARG 53 -9.821 11.329 1.074 269 HH21 ARG 53 1HH1 ARG 53 -7.157 13.272 2.172 270 HH22 ARG 53 2HH1 ARG 53 -8.845 12.901 2.347 271 H ASP 54 H ASP 54 -4.496 11.391 -5.312 272 HA ASP 54 HA ASP 54 -2.899 13.837 -5.319 273 HB2 ASP 54 1HB ASP 54 -5.536 13.052 -6.632 274 HB3 ASP 54 2HB ASP 54 -4.731 14.602 -6.885 275 HA PRO 55 HA PRO 55 -5.498 15.420 -1.986 276 HB2 PRO 55 1HB PRO 55 -4.352 17.868 -1.531 277 HB3 PRO 55 2HB PRO 55 -3.566 16.323 -1.088 278 HG2 PRO 55 1HG PRO 55 -3.104 18.003 -3.570 279 HG3 PRO 55 2HG PRO 55 -1.882 17.287 -2.476 280 HD2 PRO 55 1HD PRO 55 -2.643 16.092 -4.824 281 HD3 PRO 55 2HD PRO 55 -2.195 15.139 -3.376 282 H LEU 56 H LEU 56 -5.270 16.937 -5.138 283 HA LEU 56 HA LEU 56 -7.415 18.875 -4.660 284 HB2 LEU 56 1HB LEU 56 -5.843 17.928 -7.091 285 HB3 LEU 56 2HB LEU 56 -7.260 18.933 -7.268 286 HG LEU 56 HG LEU 56 -5.238 20.234 -7.415 287 HD11 LEU 56 1HD1 LEU 56 -7.311 21.284 -6.536 288 HD12 LEU 56 2HD1 LEU 56 -6.753 20.974 -4.876 289 HD13 LEU 56 3HD1 LEU 56 -5.836 22.058 -5.936 290 HD21 LEU 56 3HD2 LEU 56 -3.733 20.657 -5.580 291 HD22 LEU 56 1HD2 LEU 56 -4.667 19.618 -4.492 292 HD23 LEU 56 2HD2 LEU 56 -3.791 18.911 -5.873 293 H THR 57 H THR 57 -7.147 15.750 -6.401 294 HA THR 57 HA THR 57 -10.090 15.736 -6.883 295 HB THR 57 HB THR 57 -9.478 14.104 -8.678 296 HG1 THR 57 1HG THR 57 -7.182 14.086 -9.153 297 HG21 THR 57 3HG2 THR 57 -8.493 15.704 -10.209 298 HG22 THR 57 1HG2 THR 57 -9.653 16.549 -9.170 299 HG23 THR 57 2HG2 THR 57 -7.909 16.713 -8.870 300 H LYS 58 H LYS 58 -7.845 14.266 -4.869 301 HA LYS 58 HA LYS 58 -7.904 12.653 -3.348 302 HB2 LYS 58 1HB LYS 58 -10.891 12.728 -3.894 303 HB3 LYS 58 2HB LYS 58 -10.170 11.674 -2.697 304 HG2 LYS 58 1HG LYS 58 -11.026 13.677 -1.663 305 HG3 LYS 58 2HG LYS 58 -9.285 13.536 -1.428 306 HD2 LYS 58 1HD LYS 58 -8.842 15.293 -3.020 307 HD3 LYS 58 2HD LYS 58 -10.539 15.314 -3.561 308 HE2 LYS 58 1HE LYS 58 -11.256 16.126 -1.363 309 HE3 LYS 58 2HE LYS 58 -9.606 15.988 -0.736 310 HZ1 LYS 58 3HZ LYS 58 -10.161 18.269 -1.418 311 HZ2 LYS 58 1HZ LYS 58 -8.901 17.681 -2.284 312 HZ3 LYS 58 2HZ LYS 58 -10.388 17.784 -2.967 313 H ARG 59 H ARG 59 -8.130 11.943 -6.501 314 HA ARG 59 HA ARG 59 -8.522 9.131 -6.733 315 HB2 ARG 59 1HB ARG 59 -6.429 10.855 -8.102 316 HB3 ARG 59 2HB ARG 59 -6.984 9.270 -8.643 317 HG2 ARG 59 1HG ARG 59 -9.261 10.199 -9.018 318 HG3 ARG 59 2HG ARG 59 -8.685 11.799 -8.535 319 HD2 ARG 59 1HD ARG 59 -7.722 10.160 -10.906 320 HD3 ARG 59 2HD ARG 59 -8.727 11.616 -10.963 321 HE ARG 59 HE ARG 59 -6.107 11.966 -9.654 322 HH11 ARG 59 1HH1 ARG 59 -7.695 12.101 -12.824 323 HH12 ARG 59 2HH1 ARG 59 -6.404 13.052 -13.498 324 HH21 ARG 59 1HH2 ARG 59 -4.557 13.082 -10.529 325 HH22 ARG 59 2HH2 ARG 59 -4.612 13.639 -12.197 326 H SER 60 H SER 60 -7.434 7.444 -5.895 327 HA SER 60 HA SER 60 -5.229 7.633 -4.111 328 HB2 SER 60 1HB SER 60 -5.300 5.239 -4.110 329 HB3 SER 60 2HB SER 60 -6.971 5.808 -4.312 330 HG SER 60 HG SER 60 -6.706 4.275 -5.846 331 H ARG 61 H ARG 61 -5.081 7.910 -7.480 332 HA ARG 61 HA ARG 61 -3.526 7.736 -9.105 333 HB2 ARG 61 1HB ARG 61 -1.405 7.566 -6.920 334 HB3 ARG 61 2HB ARG 61 -1.141 7.864 -8.634 335 HG2 ARG 61 1HG ARG 61 -2.489 9.977 -8.455 336 HG3 ARG 61 2HG ARG 61 -2.624 9.700 -6.711 337 HD2 ARG 61 1HD ARG 61 -0.794 11.229 -7.033 338 HD3 ARG 61 2HD ARG 61 -0.120 9.682 -6.554 339 HE ARG 61 HE ARG 61 0.920 9.463 -8.600 340 HH11 ARG 61 1HH1 ARG 61 -1.332 12.203 -8.886 341 HH12 ARG 61 2HH1 ARG 61 -0.711 12.629 -10.457 342 HH21 ARG 61 1HH2 ARG 61 1.652 10.091 -10.608 343 HH22 ARG 61 2HH2 ARG 61 0.952 11.466 -11.405 344 H GLY 62 H GLY 62 -4.544 5.259 -7.407 345 HA2 GLY 62 1HA GLY 62 -4.638 3.018 -7.859 346 HA3 GLY 62 2HA GLY 62 -3.437 3.222 -9.152 347 H PHE 63 H PHE 63 -2.409 4.416 -5.999 348 HA PHE 63 HA PHE 63 -1.342 1.835 -5.235 349 HB2 PHE 63 1HB PHE 63 0.909 2.103 -5.603 350 HB3 PHE 63 2HB PHE 63 0.219 2.727 -7.075 351 HD1 PHE 63 2HD PHE 63 0.061 5.326 -7.336 352 HD2 PHE 63 1HD PHE 63 2.291 3.392 -4.192 353 HE1 PHE 63 2HE PHE 63 1.332 7.429 -6.934 354 HE2 PHE 63 1HE PHE 63 3.617 5.458 -3.871 355 HZ PHE 63 HZ PHE 63 3.122 7.478 -5.178 356 H GLY 64 H GLY 64 -0.172 1.689 -3.368 357 HA2 GLY 64 1HA GLY 64 0.026 3.955 -1.473 358 HA3 GLY 64 2HA GLY 64 -1.063 2.653 -1.038 359 H PHE 65 H PHE 65 0.303 2.418 0.797 360 HA PHE 65 HA PHE 65 2.527 0.504 0.443 361 HB2 PHE 65 1HB PHE 65 2.755 3.258 1.701 362 HB3 PHE 65 2HB PHE 65 3.768 1.942 2.236 363 HD1 PHE 65 1HD PHE 65 5.505 0.984 0.859 364 HD2 PHE 65 2HD PHE 65 3.132 4.318 -0.560 365 HE1 PHE 65 1HE PHE 65 7.245 1.518 -0.825 366 HE2 PHE 65 2HE PHE 65 4.872 4.807 -2.241 367 HZ PHE 65 HZ PHE 65 6.930 3.462 -2.358 368 H VAL 66 H VAL 66 2.782 -0.870 2.203 369 HA VAL 66 HA VAL 66 1.302 -0.313 4.724 370 HB VAL 66 HB VAL 66 0.927 -2.881 3.131 371 HG11 VAL 66 1HG1 VAL 66 1.146 -3.474 5.520 372 HG12 VAL 66 2HG1 VAL 66 -0.030 -2.209 5.952 373 HG13 VAL 66 3HG1 VAL 66 -0.534 -3.625 5.007 374 HG21 VAL 66 3HG2 VAL 66 -1.489 -2.311 3.295 375 HG22 VAL 66 1HG2 VAL 66 -1.078 -0.784 4.098 376 HG23 VAL 66 2HG2 VAL 66 -0.595 -1.076 2.414 377 H THR 67 H THR 67 2.377 -0.835 6.461 378 HA THR 67 HA THR 67 4.903 -2.455 6.335 379 HB THR 67 HB THR 67 4.110 -0.447 8.460 380 HG1 THR 67 1HG THR 67 5.326 1.053 7.327 381 HG21 THR 67 3HG2 THR 67 6.507 -0.370 8.942 382 HG22 THR 67 1HG2 THR 67 5.953 -2.050 9.034 383 HG23 THR 67 2HG2 THR 67 6.844 -1.492 7.610 384 H PHE 68 H PHE 68 5.119 -4.119 7.835 385 HA PHE 68 HA PHE 68 2.655 -4.847 9.385 386 HB2 PHE 68 1HB PHE 68 4.782 -6.554 8.071 387 HB3 PHE 68 2HB PHE 68 3.587 -7.176 9.195 388 HD1 PHE 68 2HD PHE 68 4.012 -5.644 5.826 389 HD2 PHE 68 1HD PHE 68 1.286 -7.526 8.587 390 HE1 PHE 68 2HE PHE 68 2.379 -5.982 3.986 391 HE2 PHE 68 1HE PHE 68 -0.348 -7.850 6.750 392 HZ PHE 68 HZ PHE 68 0.201 -7.087 4.446 393 H MET 69 H MET 69 2.835 -5.751 11.436 394 HA MET 69 HA MET 69 4.952 -4.798 13.159 395 HB2 MET 69 1HB MET 69 2.727 -6.823 13.586 396 HB3 MET 69 2HB MET 69 3.801 -6.248 14.861 397 HG2 MET 69 1HG MET 69 1.936 -4.478 13.233 398 HG3 MET 69 2HG MET 69 1.636 -5.095 14.851 399 HE1 MET 69 3HE MET 69 2.018 -1.417 15.739 400 HE2 MET 69 1HE MET 69 1.089 -2.270 14.483 401 HE3 MET 69 2HE MET 69 1.195 -2.943 16.120 402 H ASP 70 H ASP 70 4.803 -7.580 11.155 403 HA ASP 70 HA ASP 70 7.422 -8.490 12.037 404 HB2 ASP 70 1HB ASP 70 5.761 -9.647 13.592 405 HB3 ASP 70 2HB ASP 70 5.099 -10.449 12.167 406 H GLN 71 H GLN 71 8.344 -10.047 10.565 407 HA GLN 71 HA GLN 71 7.831 -9.565 7.794 408 HB2 GLN 71 1HB GLN 71 10.018 -10.186 8.755 409 HB3 GLN 71 2HB GLN 71 9.390 -11.752 9.239 410 HG2 GLN 71 1HG GLN 71 10.781 -11.908 7.206 411 HG3 GLN 71 2HG GLN 71 9.142 -12.467 6.938 412 HE21 GLN 71 2HE2 GLN 71 9.216 -12.156 4.654 413 HE22 GLN 71 1HE2 GLN 71 9.303 -10.535 3.955 414 H ALA 72 H ALA 72 6.641 -12.083 10.002 415 HA ALA 72 HA ALA 72 5.941 -14.034 8.098 416 HB1 ALA 72 1HB ALA 72 6.043 -14.386 10.549 417 HB2 ALA 72 2HB ALA 72 4.581 -13.385 10.750 418 HB3 ALA 72 3HB ALA 72 4.495 -14.928 9.869 419 H GLY 73 H GLY 73 4.256 -11.002 8.659 420 HA2 GLY 73 1HA GLY 73 1.912 -11.950 7.091 421 HA3 GLY 73 2HA GLY 73 2.110 -10.337 7.797 422 H VAL 74 H VAL 74 4.919 -10.265 6.548 423 HA VAL 74 HA VAL 74 4.209 -9.188 3.908 424 HB VAL 74 HB VAL 74 6.886 -9.699 5.259 425 HG11 VAL 74 1HG1 VAL 74 7.295 -9.945 2.877 426 HG12 VAL 74 2HG1 VAL 74 6.407 -8.449 2.529 427 HG13 VAL 74 3HG1 VAL 74 7.935 -8.397 3.427 428 HG21 VAL 74 3HG2 VAL 74 7.049 -7.257 5.357 429 HG22 VAL 74 1HG2 VAL 74 5.457 -7.107 4.584 430 HG23 VAL 74 2HG2 VAL 74 5.610 -7.827 6.206 431 H ASP 75 H ASP 75 5.869 -12.093 5.232 432 HA ASP 75 HA ASP 75 6.539 -13.345 2.823 433 HB2 ASP 75 1HB ASP 75 6.449 -14.009 5.660 434 HB3 ASP 75 2HB ASP 75 5.887 -15.377 4.725 435 H LYS 76 H LYS 76 3.440 -13.666 4.631 436 HA LYS 76 HA LYS 76 2.252 -15.573 2.854 437 HB2 LYS 76 1HB LYS 76 0.974 -13.396 4.562 438 HB3 LYS 76 2HB LYS 76 0.100 -14.715 3.746 439 HG2 LYS 76 1HG LYS 76 1.287 -16.388 5.094 440 HG3 LYS 76 2HG LYS 76 2.177 -15.094 5.908 441 HD2 LYS 76 1HD LYS 76 -0.167 -14.090 6.477 442 HD3 LYS 76 2HD LYS 76 -0.824 -15.634 5.927 443 HE2 LYS 76 1HE LYS 76 -0.671 -15.934 8.227 444 HE3 LYS 76 2HE LYS 76 0.801 -16.720 7.634 445 HZ1 LYS 76 3HZ LYS 76 1.259 -15.248 9.520 446 HZ2 LYS 76 1HZ LYS 76 2.001 -14.651 8.178 447 HZ3 LYS 76 2HZ LYS 76 0.620 -13.958 8.728 448 H VAL 77 H VAL 77 2.360 -12.024 2.663 449 HA VAL 77 HA VAL 77 0.428 -11.849 0.506 450 HB VAL 77 HB VAL 77 2.463 -9.822 1.472 451 HG11 VAL 77 1HG1 VAL 77 1.794 -9.216 -0.833 452 HG12 VAL 77 2HG1 VAL 77 0.083 -9.397 -0.391 453 HG13 VAL 77 3HG1 VAL 77 1.069 -8.112 0.336 454 HG21 VAL 77 3HG2 VAL 77 0.544 -8.787 2.616 455 HG22 VAL 77 1HG2 VAL 77 -0.574 -9.961 1.892 456 HG23 VAL 77 2HG2 VAL 77 0.598 -10.486 3.099 457 H LEU 78 H LEU 78 3.978 -12.203 0.589 458 HA LEU 78 HA LEU 78 4.313 -11.937 -2.301 459 HB2 LEU 78 1HB LEU 78 6.035 -13.277 -0.182 460 HB3 LEU 78 2HB LEU 78 6.564 -12.818 -1.799 461 HG LEU 78 HG LEU 78 5.599 -10.798 0.283 462 HD11 LEU 78 1HD1 LEU 78 7.482 -12.062 1.109 463 HD12 LEU 78 2HD1 LEU 78 8.383 -11.813 -0.401 464 HD13 LEU 78 3HD1 LEU 78 8.033 -10.426 0.665 465 HD21 LEU 78 3HD2 LEU 78 6.812 -9.177 -1.131 466 HD22 LEU 78 1HD2 LEU 78 7.119 -10.452 -2.332 467 HD23 LEU 78 2HD2 LEU 78 5.451 -9.926 -1.977 468 H ALA 79 H ALA 79 3.959 -14.655 -0.021 469 HA ALA 79 HA ALA 79 4.411 -16.695 -1.920 470 HB1 ALA 79 1HB ALA 79 4.652 -16.982 0.512 471 HB2 ALA 79 2HB ALA 79 2.894 -16.794 0.726 472 HB3 ALA 79 3HB ALA 79 3.542 -18.195 -0.151 473 H GLN 80 H GLN 80 1.464 -14.893 -1.310 474 HA GLN 80 HA GLN 80 -0.260 -16.809 -2.746 475 HB2 GLN 80 1HB GLN 80 -1.087 -15.642 -0.760 476 HB3 GLN 80 2HB GLN 80 -0.827 -14.074 -1.531 477 HG2 GLN 80 1HG GLN 80 -2.503 -14.573 -3.234 478 HG3 GLN 80 2HG GLN 80 -2.677 -16.230 -2.655 479 HE21 GLN 80 2HE2 GLN 80 -4.396 -13.486 -2.732 480 HE22 GLN 80 1HE2 GLN 80 -5.233 -13.637 -1.184 481 H SER 81 H SER 81 -0.890 -16.647 -4.863 482 HA SER 81 HA SER 81 0.778 -15.042 -6.563 483 HB2 SER 81 1HB SER 81 -1.508 -16.888 -7.319 484 HB3 SER 81 2HB SER 81 -0.174 -16.357 -8.356 485 HG SER 81 HG SER 81 0.189 -18.465 -7.495 486 H ARG 82 H ARG 82 -2.280 -14.194 -5.305 487 HA ARG 82 HA ARG 82 -2.661 -11.995 -7.182 488 HB2 ARG 82 1HB ARG 82 -3.570 -13.988 -8.414 489 HB3 ARG 82 2HB ARG 82 -4.726 -14.243 -7.106 490 HG2 ARG 82 1HG ARG 82 -5.776 -12.066 -7.568 491 HG3 ARG 82 2HG ARG 82 -4.550 -11.693 -8.790 492 HD2 ARG 82 1HD ARG 82 -6.478 -14.048 -8.917 493 HD3 ARG 82 2HD ARG 82 -6.765 -12.478 -9.689 494 HE ARG 82 HE ARG 82 -4.254 -13.297 -10.595 495 HH11 ARG 82 1HH1 ARG 82 -7.554 -14.537 -10.896 496 HH12 ARG 82 2HH1 ARG 82 -7.223 -15.309 -12.418 497 HH21 ARG 82 1HH2 ARG 82 -3.892 -14.322 -12.556 498 HH22 ARG 82 2HH2 ARG 82 -5.179 -15.182 -13.343 499 H HIS 83 H HIS 83 -4.094 -10.436 -6.442 500 HA HIS 83 HA HIS 83 -5.544 -10.804 -3.877 501 HB2 HIS 83 1HB HIS 83 -3.355 -8.763 -4.447 502 HB3 HIS 83 2HB HIS 83 -4.463 -8.661 -3.076 503 HD1 HIS 83 1HD HIS 83 -4.134 -10.592 -1.153 504 HD2 HIS 83 2HD HIS 83 -1.278 -10.411 -4.231 505 HE1 HIS 83 1HE HIS 83 -2.110 -11.933 -0.341 506 H GLU 84 H GLU 84 -7.155 -9.104 -3.503 507 HA GLU 84 HA GLU 84 -7.820 -7.289 -5.731 508 HB2 GLU 84 1HB GLU 84 -8.701 -9.610 -6.318 509 HB3 GLU 84 2HB GLU 84 -9.753 -9.483 -4.903 510 HG2 GLU 84 1HG GLU 84 -10.667 -7.321 -5.932 511 HG3 GLU 84 2HG GLU 84 -9.731 -7.707 -7.379 512 H LEU 85 H LEU 85 -8.807 -5.522 -5.032 513 HA LEU 85 HA LEU 85 -10.360 -5.426 -2.533 514 HB2 LEU 85 1HB LEU 85 -8.062 -5.155 -1.742 515 HB3 LEU 85 2HB LEU 85 -7.747 -3.929 -2.977 516 HG LEU 85 HG LEU 85 -9.340 -2.387 -1.870 517 HD11 LEU 85 1HD1 LEU 85 -10.917 -3.901 -0.790 518 HD12 LEU 85 2HD1 LEU 85 -9.624 -4.639 0.169 519 HD13 LEU 85 3HD1 LEU 85 -10.111 -2.958 0.471 520 HD21 LEU 85 3HD2 LEU 85 -7.940 -1.927 0.093 521 HD22 LEU 85 1HD2 LEU 85 -7.225 -3.550 -0.008 522 HD23 LEU 85 2HD2 LEU 85 -6.942 -2.369 -1.304 523 H ASP 86 H ASP 86 -11.962 -3.968 -2.683 524 HA ASP 86 HA ASP 86 -13.547 -2.729 -3.675 525 HB2 ASP 86 1HB ASP 86 -11.838 -0.962 -3.112 526 HB3 ASP 86 2HB ASP 86 -11.315 -1.003 -4.795 527 H SER 87 H SER 87 -12.830 -5.031 -5.050 528 HA SER 87 HA SER 87 -13.203 -6.202 -6.952 529 HB2 SER 87 1HB SER 87 -14.668 -3.747 -7.969 530 HB3 SER 87 2HB SER 87 -14.786 -5.397 -8.588 531 HG SER 87 HG SER 87 -16.505 -4.876 -7.133 532 H LYS 88 H LYS 88 -10.744 -4.385 -6.790 533 HA LYS 88 HA LYS 88 -9.961 -4.545 -9.673 534 HB2 LYS 88 1HB LYS 88 -9.360 -2.464 -7.539 535 HB3 LYS 88 2HB LYS 88 -8.238 -2.723 -8.866 536 HG2 LYS 88 1HG LYS 88 -11.174 -2.182 -9.364 537 HG3 LYS 88 2HG LYS 88 -10.003 -0.867 -9.132 538 HD2 LYS 88 1HD LYS 88 -8.679 -1.717 -11.059 539 HD3 LYS 88 2HD LYS 88 -9.894 -2.989 -11.321 540 HE2 LYS 88 1HE LYS 88 -11.646 -1.221 -11.590 541 HE3 LYS 88 2HE LYS 88 -10.402 0.021 -11.402 542 HZ1 LYS 88 3HZ LYS 88 -10.858 -0.419 -13.738 543 HZ2 LYS 88 1HZ LYS 88 -9.322 -0.867 -13.405 544 HZ3 LYS 88 2HZ LYS 88 -10.489 -2.000 -13.578 545 H THR 89 H THR 89 -8.216 -5.675 -10.113 546 HA THR 89 HA THR 89 -7.059 -7.444 -8.105 547 HB THR 89 HB THR 89 -6.177 -7.046 -10.987 548 HG1 THR 89 1HG THR 89 -7.649 -8.732 -11.387 549 HG21 THR 89 3HG2 THR 89 -5.426 -9.399 -10.763 550 HG22 THR 89 1HG2 THR 89 -4.608 -8.374 -9.575 551 HG23 THR 89 2HG2 THR 89 -5.953 -9.417 -9.065 552 H ILE 90 H ILE 90 -5.391 -6.965 -6.814 553 HA ILE 90 HA ILE 90 -3.750 -4.545 -7.460 554 HB ILE 90 HB ILE 90 -3.386 -4.201 -5.140 555 HG12 ILE 90 1HG1 ILE 90 -5.044 -6.650 -4.495 556 HG13 ILE 90 2HG1 ILE 90 -3.284 -6.506 -4.346 557 HG21 ILE 90 1HG2 ILE 90 -5.518 -3.363 -6.231 558 HG22 ILE 90 2HG2 ILE 90 -6.362 -4.764 -5.537 559 HG23 ILE 90 3HG2 ILE 90 -5.659 -3.554 -4.480 560 HD11 ILE 90 3HD1 ILE 90 -4.147 -6.150 -2.173 561 HD12 ILE 90 1HD1 ILE 90 -3.651 -4.550 -2.779 562 HD13 ILE 90 2HD1 ILE 90 -5.371 -5.006 -2.750 563 H ASP 91 H ASP 91 -1.560 -4.480 -6.806 564 HA ASP 91 HA ASP 91 -0.125 -7.104 -7.000 565 HB2 ASP 91 1HB ASP 91 -0.211 -6.020 -9.176 566 HB3 ASP 91 2HB ASP 91 0.420 -4.525 -8.482 567 HA PRO 92 HA PRO 92 1.689 -4.820 -3.481 568 HB2 PRO 92 1HB PRO 92 1.294 -6.676 -1.515 569 HB3 PRO 92 2HB PRO 92 0.089 -5.464 -2.013 570 HG2 PRO 92 1HG PRO 92 0.047 -8.381 -2.552 571 HG3 PRO 92 2HG PRO 92 -1.297 -7.184 -2.540 572 HD2 PRO 92 1HD PRO 92 0.162 -8.230 -4.805 573 HD3 PRO 92 2HD PRO 92 -1.192 -7.077 -4.774 574 H LYS 93 H LYS 93 3.794 -4.889 -3.036 575 HA LYS 93 HA LYS 93 5.440 -7.323 -3.329 576 HB2 LYS 93 1HB LYS 93 6.650 -6.478 -5.259 577 HB3 LYS 93 2HB LYS 93 4.931 -6.517 -5.622 578 HG2 LYS 93 1HG LYS 93 5.171 -3.936 -4.692 579 HG3 LYS 93 2HG LYS 93 6.783 -4.181 -5.349 580 HD2 LYS 93 1HD LYS 93 4.130 -4.506 -6.821 581 HD3 LYS 93 2HD LYS 93 5.255 -3.152 -6.984 582 HE2 LYS 93 1HE LYS 93 6.979 -4.671 -7.913 583 HE3 LYS 93 2HE LYS 93 5.873 -6.043 -7.733 584 HZ1 LYS 93 3HZ LYS 93 5.815 -5.148 -9.988 585 HZ2 LYS 93 1HZ LYS 93 4.352 -4.967 -9.274 586 HZ3 LYS 93 2HZ LYS 93 5.344 -3.675 -9.443 587 H VAL 94 H VAL 94 7.830 -6.779 -3.022 588 HA VAL 94 HA VAL 94 8.087 -5.569 -0.460 589 HB VAL 94 HB VAL 94 10.303 -6.256 -2.434 590 HG11 VAL 94 1HG1 VAL 94 11.200 -4.757 -0.709 591 HG12 VAL 94 2HG1 VAL 94 10.426 -5.720 0.573 592 HG13 VAL 94 3HG1 VAL 94 11.752 -6.400 -0.394 593 HG21 VAL 94 3HG2 VAL 94 10.515 -8.331 -1.053 594 HG22 VAL 94 1HG2 VAL 94 9.066 -7.853 -0.141 595 HG23 VAL 94 2HG2 VAL 94 8.959 -8.233 -1.875 596 H ALA 95 H ALA 95 8.622 -3.585 0.268 597 HA ALA 95 HA ALA 95 8.488 -1.342 -1.586 598 HB1 ALA 95 1HB ALA 95 7.332 -1.279 0.572 599 HB2 ALA 95 2HB ALA 95 8.874 -1.486 1.433 600 HB3 ALA 95 3HB ALA 95 8.562 -0.006 0.511 601 H PHE 96 H PHE 96 10.094 -0.113 -2.374 602 HA PHE 96 HA PHE 96 12.862 -0.571 -2.032 603 HB2 PHE 96 1HB PHE 96 11.459 2.017 -2.789 604 HB3 PHE 96 2HB PHE 96 13.156 1.663 -3.050 605 HD1 PHE 96 2HD PHE 96 12.345 -1.392 -4.029 606 HD2 PHE 96 1HD PHE 96 11.315 2.651 -5.148 607 HE1 PHE 96 2HE PHE 96 11.823 -2.152 -6.318 608 HE2 PHE 96 1HE PHE 96 10.799 1.876 -7.445 609 HZ PHE 96 HZ PHE 96 11.044 -0.529 -8.034 610 HA PRO 97 HA PRO 97 13.472 0.945 2.035 611 HB2 PRO 97 1HB PRO 97 16.194 1.161 2.178 612 HB3 PRO 97 2HB PRO 97 15.361 -0.400 1.931 613 HG2 PRO 97 1HG PRO 97 16.535 1.428 -0.198 614 HG3 PRO 97 2HG PRO 97 16.855 -0.322 0.049 615 HD2 PRO 97 1HD PRO 97 14.997 0.529 -1.732 616 HD3 PRO 97 2HD PRO 97 14.702 -0.919 -0.722 617 H ARG 98 H ARG 98 14.882 2.637 3.280 618 HA ARG 98 HA ARG 98 13.910 5.204 2.928 619 HB2 ARG 98 1HB ARG 98 16.528 4.288 4.199 620 HB3 ARG 98 2HB ARG 98 15.845 5.889 4.405 621 HG2 ARG 98 1HG ARG 98 14.637 3.255 5.351 622 HG3 ARG 98 2HG ARG 98 15.362 4.514 6.344 623 HD2 ARG 98 1HD ARG 98 12.747 4.674 4.800 624 HD3 ARG 98 2HD ARG 98 12.971 4.641 6.555 625 HE ARG 98 HE ARG 98 14.399 6.866 5.442 626 HH11 ARG 98 1HH1 ARG 98 11.073 5.939 6.261 627 HH12 ARG 98 2HH1 ARG 98 10.553 7.609 6.278 628 HH21 ARG 98 1HH2 ARG 98 13.610 8.931 5.361 629 HH22 ARG 98 2HH2 ARG 98 11.949 9.251 5.811 630 H ARG 99 H ARG 99 14.264 6.833 1.615 631 HA ARG 99 HA ARG 99 16.947 7.289 0.419 632 HB2 ARG 99 1HB ARG 99 16.191 7.514 -1.784 633 HB3 ARG 99 2HB ARG 99 15.695 5.965 -1.153 634 HG2 ARG 99 1HG ARG 99 13.694 6.390 -2.010 635 HG3 ARG 99 2HG ARG 99 13.424 7.454 -0.627 636 HD2 ARG 99 1HD ARG 99 14.082 9.403 -1.907 637 HD3 ARG 99 2HD ARG 99 14.732 8.411 -3.206 638 HE ARG 99 HE ARG 99 11.928 9.167 -2.763 639 HH11 ARG 99 1HH1 ARG 99 13.923 6.794 -4.506 640 HH12 ARG 99 2HH1 ARG 99 12.654 6.511 -5.662 641 HH21 ARG 99 1HH2 ARG 99 10.465 8.793 -4.174 642 HH22 ARG 99 2HH2 ARG 99 10.671 7.656 -5.500 643 H ALA 100 H ALA 100 15.283 8.596 2.545 644 HA ALA 100 HA ALA 100 16.484 11.129 2.266 645 HB1 ALA 100 1HB ALA 100 14.454 11.506 0.754 646 HB2 ALA 100 2HB ALA 100 13.443 11.308 2.204 647 HB3 ALA 100 3HB ALA 100 14.609 12.632 2.105 648 H GLN 101 H GLN 101 15.541 12.618 4.182 649 HA GLN 101 HA GLN 101 15.994 11.147 6.616 650 HB2 GLN 101 1HB GLN 101 15.118 14.017 6.064 651 HB3 GLN 101 2HB GLN 101 15.460 13.393 7.679 652 HG2 GLN 101 1HG GLN 101 17.780 12.816 6.983 653 HG3 GLN 101 2HG GLN 101 17.461 13.472 5.377 654 HE21 GLN 101 2HE2 GLN 101 19.500 14.755 6.133 655 HE22 GLN 101 1HE2 GLN 101 19.155 16.267 6.959 656 HA PRO 102 HA PRO 102 11.891 9.950 7.709 657 HB2 PRO 102 1HB PRO 102 11.959 9.806 10.430 658 HB3 PRO 102 2HB PRO 102 12.872 8.692 9.366 659 HG2 PRO 102 1HG PRO 102 13.887 11.209 10.733 660 HG3 PRO 102 2HG PRO 102 14.634 9.577 10.723 661 HD2 PRO 102 1HD PRO 102 15.436 11.512 9.001 662 HD3 PRO 102 2HD PRO 102 15.326 9.806 8.476 663 H LYS 103 H LYS 103 9.911 10.668 8.219 664 HA LYS 103 HA LYS 103 9.351 13.071 9.766 665 HB2 LYS 103 1HB LYS 103 10.030 14.054 7.609 666 HB3 LYS 103 2HB LYS 103 8.855 13.044 6.757 667 HG2 LYS 103 1HG LYS 103 6.994 14.184 7.884 668 HG3 LYS 103 2HG LYS 103 8.121 15.054 8.928 669 HD2 LYS 103 1HD LYS 103 7.319 16.548 7.199 670 HD3 LYS 103 2HD LYS 103 9.041 16.261 7.004 671 HE2 LYS 103 1HE LYS 103 8.020 16.286 4.836 672 HE3 LYS 103 2HE LYS 103 8.575 14.644 5.165 673 HZ1 LYS 103 3HZ LYS 103 6.292 14.809 4.199 674 HZ2 LYS 103 1HZ LYS 103 6.315 13.976 5.592 675 HZ3 LYS 103 2HZ LYS 103 5.761 15.526 5.563 676 H5' G 104 H5' G 104 -4.377 -0.289 -11.609 677 H5'' G 104 H5" G 104 -5.879 0.536 -11.154 678 H4' G 104 H4' G 104 -4.321 1.040 -13.735 679 H3' G 104 H3' G 104 -3.424 1.862 -11.278 680 H2' G 104 H2' G 104 -5.405 2.863 -10.518 681 HO2' G 104 HO2 G 104 -3.786 4.740 -11.833 682 H1' G 104 H1' G 104 -5.940 4.153 -13.188 683 H8 G 104 8H G 104 -7.500 2.374 -10.116 684 H1 G 104 1H G 104 -11.542 5.936 -13.640 685 H21 G 104 1H2 G 104 -10.475 6.596 -15.512 686 H22 G 104 2H2 G 104 -8.805 6.120 -15.772 687 HO5' G 104 H5T G 104 -6.671 -0.250 -13.299 688 H5' U 105 H5' U 105 -1.642 2.972 -10.316 689 H5'' U 105 H5" U 105 -0.570 4.008 -11.259 690 H4' U 105 H4' U 105 0.459 3.237 -9.176 691 H3' U 105 H3' U 105 1.735 3.358 -11.590 692 H2' U 105 H2' U 105 1.383 1.083 -12.136 693 HO2' U 105 HO2 U 105 3.915 1.610 -11.366 694 H1' U 105 H1' U 105 2.130 0.331 -9.308 695 H3 U 105 3H U 105 1.861 -4.061 -10.419 696 H5 U 105 5H U 105 -1.490 -2.423 -12.326 697 H6 U 105 6H U 105 -0.824 -0.219 -11.519 698 H5' A 106 H5' A 106 3.678 4.545 -7.376 699 H5'' A 106 H5" A 106 3.995 5.949 -8.392 700 H4' A 106 H4' A 106 5.113 6.311 -6.345 701 H3' A 106 H3' A 106 6.541 6.487 -8.677 702 H2' A 106 H2' A 106 7.346 4.259 -8.672 703 HO2' A 106 HO2 A 106 9.198 6.021 -7.547 704 H1' A 106 H1' A 106 7.993 4.491 -5.732 705 H8 A 106 8H A 106 6.817 2.078 -8.552 706 H61 A 106 1H6 A 106 8.645 -2.224 -4.336 707 H62 A 106 2H6 A 106 8.105 -2.063 -6.013 708 H2 A 106 2H A 106 8.911 1.632 -2.486 709 H5' G 107 H5' G 107 8.088 8.504 -4.064 710 H5'' G 107 H5" G 107 7.450 6.857 -3.976 711 H4' G 107 H4' G 107 5.784 9.008 -2.716 712 H3' G 107 H3' G 107 8.471 8.144 -1.613 713 H2' G 107 H2' G 107 7.482 8.439 0.557 714 HO2' G 107 HO2 G 107 6.386 10.509 -0.275 715 H1' G 107 H1' G 107 4.911 7.599 -0.249 716 H8 G 107 8H G 107 4.732 6.058 1.718 717 H1 G 107 1H G 107 10.449 3.282 0.592 718 H21 G 107 1H2 G 107 11.457 4.346 -1.085 719 H22 G 107 2H2 G 107 10.611 5.610 -1.965 720 H5' U 108 H5' U 108 11.585 11.101 0.273 721 H5'' U 108 H5" U 108 11.982 9.722 -0.746 722 H4' U 108 H4' U 108 12.851 9.230 1.365 723 H3' U 108 H3' U 108 11.068 7.417 0.329 724 HO3' U 108 H3T U 108 11.770 6.260 2.407 725 H2' U 108 H2' U 108 9.195 8.158 1.544 726 HO2' U 108 HO2 U 108 8.887 6.719 3.343 727 H1' U 108 H1' U 108 10.909 8.516 3.975 728 H3 U 108 3H U 108 7.874 10.722 6.530 729 H5 U 108 5H U 108 6.656 11.669 2.635 730 H6 U 108 6H U 108 8.489 10.321 1.759 Start of MODEL 3 1 H CYS 20 1H CYS 20 10.496 -4.108 6.757 2 HA CYS 20 HA CYS 20 9.203 -6.105 6.393 3 HB2 CYS 20 1HB CYS 20 7.815 -5.355 9.019 4 HB3 CYS 20 2HB CYS 20 7.386 -6.696 7.959 5 HG CYS 20 HG CYS 20 9.689 -7.949 8.106 6 H LYS 21 H LYS 21 8.978 -4.331 4.678 7 HA LYS 21 HA LYS 21 6.310 -3.024 4.836 8 HB2 LYS 21 1HB LYS 21 8.048 -1.462 5.695 9 HB3 LYS 21 2HB LYS 21 8.899 -1.566 4.152 10 HG2 LYS 21 1HG LYS 21 7.041 -0.516 2.981 11 HG3 LYS 21 2HG LYS 21 5.995 -0.670 4.398 12 HD2 LYS 21 1HD LYS 21 7.472 0.915 5.638 13 HD3 LYS 21 2HD LYS 21 8.465 1.105 4.179 14 HE2 LYS 21 1HE LYS 21 6.602 2.004 2.928 15 HE3 LYS 21 2HE LYS 21 5.453 1.608 4.222 16 HZ1 LYS 21 3HZ LYS 21 6.285 3.988 4.024 17 HZ2 LYS 21 1HZ LYS 21 6.239 3.338 5.532 18 HZ3 LYS 21 2HZ LYS 21 7.673 3.477 4.703 19 H MET 22 H MET 22 5.301 -2.522 2.964 20 HA MET 22 HA MET 22 6.379 -3.618 0.409 21 HB2 MET 22 1HB MET 22 3.687 -4.246 1.696 22 HB3 MET 22 2HB MET 22 4.175 -4.706 0.061 23 HG2 MET 22 1HG MET 22 6.133 -5.955 1.071 24 HG3 MET 22 2HG MET 22 5.480 -5.582 2.660 25 HE1 MET 22 3HE MET 22 3.998 -8.625 -0.414 26 HE2 MET 22 1HE MET 22 3.832 -6.900 -0.813 27 HE3 MET 22 2HE MET 22 5.434 -7.592 -0.467 28 H PHE 23 H PHE 23 5.821 -2.639 -1.349 29 HA PHE 23 HA PHE 23 4.198 -0.152 -1.409 30 HB2 PHE 23 1HB PHE 23 6.272 -0.080 -2.647 31 HB3 PHE 23 2HB PHE 23 5.983 -1.656 -3.370 32 HD1 PHE 23 2HD PHE 23 4.256 -1.944 -5.171 33 HD2 PHE 23 1HD PHE 23 5.290 1.936 -3.614 34 HE1 PHE 23 2HE PHE 23 3.259 -0.887 -7.168 35 HE2 PHE 23 1HE PHE 23 4.286 2.981 -5.615 36 HZ PHE 23 HZ PHE 23 3.271 1.595 -7.396 37 H ILE 24 H ILE 24 2.157 -0.153 -2.303 38 HA ILE 24 HA ILE 24 1.020 -2.804 -3.167 39 HB ILE 24 HB ILE 24 -0.559 -0.620 -1.790 40 HG12 ILE 24 1HG1 ILE 24 1.074 -1.195 -0.120 41 HG13 ILE 24 2HG1 ILE 24 -0.516 -1.788 0.296 42 HG21 ILE 24 1HG2 ILE 24 -1.766 -2.290 -3.151 43 HG22 ILE 24 2HG2 ILE 24 -1.054 -3.602 -2.206 44 HG23 ILE 24 3HG2 ILE 24 -2.153 -2.444 -1.430 45 HD11 ILE 24 3HD1 ILE 24 1.323 -3.356 0.886 46 HD12 ILE 24 1HD1 ILE 24 0.126 -4.079 -0.191 47 HD13 ILE 24 2HD1 ILE 24 1.698 -3.557 -0.829 48 H GLY 25 H GLY 25 1.120 -2.580 -5.371 49 HA2 GLY 25 1HA GLY 25 0.179 -0.089 -6.691 50 HA3 GLY 25 2HA GLY 25 0.921 -1.511 -7.454 51 H GLY 26 H GLY 26 -1.215 -0.409 -8.659 52 HA2 GLY 26 1HA GLY 26 -3.044 -1.202 -9.815 53 HA3 GLY 26 2HA GLY 26 -2.882 -2.744 -8.952 54 H LEU 27 H LEU 27 -3.298 0.085 -6.979 55 HA LEU 27 HA LEU 27 -5.758 -0.922 -5.816 56 HB2 LEU 27 1HB LEU 27 -4.385 1.786 -5.528 57 HB3 LEU 27 2HB LEU 27 -5.712 1.212 -4.541 58 HG LEU 27 HG LEU 27 -2.897 0.050 -4.589 59 HD11 LEU 27 1HD1 LEU 27 -3.257 2.241 -3.422 60 HD12 LEU 27 2HD1 LEU 27 -4.502 1.493 -2.427 61 HD13 LEU 27 3HD1 LEU 27 -2.815 0.935 -2.304 62 HD21 LEU 27 3HD2 LEU 27 -3.832 -1.288 -2.592 63 HD22 LEU 27 1HD2 LEU 27 -5.430 -0.972 -3.286 64 HD23 LEU 27 2HD2 LEU 27 -4.195 -1.834 -4.229 65 H SER 28 H SER 28 -7.694 0.472 -5.529 66 HA SER 28 HA SER 28 -8.685 1.427 -8.158 67 HB2 SER 28 1HB SER 28 -10.012 -0.063 -6.547 68 HB3 SER 28 2HB SER 28 -10.141 1.347 -5.497 69 HG SER 28 HG SER 28 -11.926 1.166 -6.858 70 H TRP 29 H TRP 29 -9.449 3.575 -8.472 71 HA TRP 29 HA TRP 29 -8.292 5.736 -6.966 72 HB2 TRP 29 1HB TRP 29 -10.460 5.486 -9.043 73 HB3 TRP 29 2HB TRP 29 -10.104 7.030 -8.264 74 HD1 TRP 29 HD TRP 29 -6.925 5.223 -8.807 75 HE1 TRP 29 1HE TRP 29 -5.714 6.044 -10.881 76 HE3 TRP 29 3HE TRP 29 -10.745 7.872 -10.959 77 HZ2 TRP 29 2HZ TRP 29 -6.282 7.729 -13.169 78 HZ3 TRP 29 3HZ TRP 29 -10.391 9.029 -13.124 79 HH2 TRP 29 HH TRP 29 -8.170 8.970 -14.236 80 H GLN 30 H GLN 30 -10.861 3.683 -6.129 81 HA GLN 30 HA GLN 30 -12.021 5.625 -4.183 82 HB2 GLN 30 1HB GLN 30 -12.896 2.776 -4.718 83 HB3 GLN 30 2HB GLN 30 -13.786 4.045 -3.883 84 HG2 GLN 30 1HG GLN 30 -13.873 5.322 -6.077 85 HG3 GLN 30 2HG GLN 30 -13.190 3.892 -6.868 86 HE21 GLN 30 2HE2 GLN 30 -14.507 1.705 -6.074 87 HE22 GLN 30 1HE2 GLN 30 -16.245 1.921 -6.246 88 H THR 31 H THR 31 -9.423 3.407 -4.179 89 HA THR 31 HA THR 31 -9.913 2.092 -1.654 90 HB THR 31 HB THR 31 -7.308 2.495 -3.186 91 HG1 THR 31 1HG THR 31 -9.169 0.339 -3.124 92 HG21 THR 31 3HG2 THR 31 -6.684 0.349 -1.987 93 HG22 THR 31 1HG2 THR 31 -6.759 1.767 -0.942 94 HG23 THR 31 2HG2 THR 31 -8.088 0.584 -0.933 95 H THR 32 H THR 32 -9.165 2.518 0.363 96 HA THR 32 HA THR 32 -7.723 5.073 0.915 97 HB THR 32 HB THR 32 -8.989 5.297 2.981 98 HG1 THR 32 1HG THR 32 -10.813 3.851 3.251 99 HG21 THR 32 3HG2 THR 32 -11.165 5.905 2.128 100 HG22 THR 32 1HG2 THR 32 -9.954 6.308 0.899 101 HG23 THR 32 2HG2 THR 32 -10.971 4.864 0.705 102 H GLN 33 H GLN 33 -6.512 5.028 2.955 103 HA GLN 33 HA GLN 33 -4.888 2.661 3.218 104 HB2 GLN 33 1HB GLN 33 -3.943 3.867 5.215 105 HB3 GLN 33 2HB GLN 33 -3.835 4.711 3.671 106 HG2 GLN 33 1HG GLN 33 -5.612 6.216 4.238 107 HG3 GLN 33 2HG GLN 33 -6.028 5.296 5.693 108 HE21 GLN 33 2HE2 GLN 33 -3.804 7.711 4.342 109 HE22 GLN 33 1HE2 GLN 33 -2.991 8.020 5.865 110 H GLU 34 H GLU 34 -7.790 3.683 4.957 111 HA GLU 34 HA GLU 34 -7.601 1.628 7.010 112 HB2 GLU 34 1HB GLU 34 -9.986 3.167 5.902 113 HB3 GLU 34 2HB GLU 34 -10.043 2.059 7.280 114 HG2 GLU 34 1HG GLU 34 -8.368 3.463 8.477 115 HG3 GLU 34 2HG GLU 34 -8.370 4.606 7.130 116 H GLY 35 H GLY 35 -8.957 1.801 3.699 117 HA2 GLY 35 1HA GLY 35 -10.124 -0.834 3.652 118 HA3 GLY 35 2HA GLY 35 -9.659 0.156 2.250 119 H LEU 36 H LEU 36 -6.819 0.385 2.905 120 HA LEU 36 HA LEU 36 -5.786 -2.177 2.099 121 HB2 LEU 36 1HB LEU 36 -4.244 0.037 3.547 122 HB3 LEU 36 2HB LEU 36 -3.569 -1.333 2.697 123 HG LEU 36 HG LEU 36 -4.943 1.074 1.493 124 HD11 LEU 36 1HD1 LEU 36 -2.534 1.222 2.109 125 HD12 LEU 36 2HD1 LEU 36 -2.196 -0.164 1.049 126 HD13 LEU 36 3HD1 LEU 36 -2.800 1.351 0.358 127 HD21 LEU 36 3HD2 LEU 36 -4.563 -0.004 -0.719 128 HD22 LEU 36 1HD2 LEU 36 -4.173 -1.528 0.103 129 HD23 LEU 36 2HD2 LEU 36 -5.799 -0.810 0.237 130 H ARG 37 H ARG 37 -5.788 -0.649 5.380 131 HA ARG 37 HA ARG 37 -4.723 -2.912 6.708 132 HB2 ARG 37 1HB ARG 37 -4.983 -0.693 7.728 133 HB3 ARG 37 2HB ARG 37 -6.745 -0.861 7.713 134 HG2 ARG 37 1HG ARG 37 -6.604 -2.783 9.272 135 HG3 ARG 37 2HG ARG 37 -4.837 -2.701 9.222 136 HD2 ARG 37 1HD ARG 37 -5.078 -0.289 10.058 137 HD3 ARG 37 2HD ARG 37 -6.792 -0.643 10.285 138 HE ARG 37 HE ARG 37 -6.204 -2.380 11.903 139 HH11 ARG 37 1HH1 ARG 37 -3.595 -0.065 11.271 140 HH12 ARG 37 2HH1 ARG 37 -2.746 -0.503 12.723 141 HH21 ARG 37 1HH2 ARG 37 -5.081 -2.845 13.771 142 HH22 ARG 37 2HH2 ARG 37 -3.601 -2.012 14.135 143 H GLU 38 H GLU 38 -8.108 -2.233 5.847 144 HA GLU 38 HA GLU 38 -9.310 -4.405 7.116 145 HB2 GLU 38 1HB GLU 38 -10.232 -2.333 5.607 146 HB3 GLU 38 2HB GLU 38 -10.370 -3.619 4.408 147 HG2 GLU 38 1HG GLU 38 -11.649 -4.961 6.109 148 HG3 GLU 38 2HG GLU 38 -11.500 -3.596 7.227 149 H TYR 39 H TYR 39 -7.614 -4.351 3.982 150 HA TYR 39 HA TYR 39 -8.275 -7.157 3.367 151 HB2 TYR 39 1HB TYR 39 -8.192 -5.371 1.650 152 HB3 TYR 39 2HB TYR 39 -6.472 -5.158 1.953 153 HD1 TYR 39 2HD TYR 39 -9.027 -7.738 1.005 154 HD2 TYR 39 1HD TYR 39 -4.897 -6.516 0.772 155 HE1 TYR 39 2HE TYR 39 -8.552 -9.654 -0.499 156 HE2 TYR 39 1HE TYR 39 -4.418 -8.413 -0.751 157 HH TYR 39 HH TYR 39 -6.965 -10.803 -1.661 158 H PHE 40 H PHE 40 -5.426 -5.276 4.378 159 HA PHE 40 HA PHE 40 -3.677 -7.569 4.180 160 HB2 PHE 40 1HB PHE 40 -3.286 -4.668 4.869 161 HB3 PHE 40 2HB PHE 40 -1.996 -5.807 5.129 162 HD1 PHE 40 1HD PHE 40 -1.592 -7.531 3.056 163 HD2 PHE 40 2HD PHE 40 -3.442 -3.658 2.704 164 HE1 PHE 40 1HE PHE 40 -1.187 -7.550 0.610 165 HE2 PHE 40 2HE PHE 40 -3.048 -3.686 0.267 166 HZ PHE 40 HZ PHE 40 -1.918 -5.631 -0.790 167 H GLY 41 H GLY 41 -5.549 -6.308 6.804 168 HA2 GLY 41 1HA GLY 41 -4.152 -7.506 8.992 169 HA3 GLY 41 2HA GLY 41 -5.884 -7.127 8.923 170 H GLN 42 H GLN 42 -5.705 -9.082 6.382 171 HA GLN 42 HA GLN 42 -6.478 -11.558 7.712 172 HB2 GLN 42 1HB GLN 42 -5.714 -11.022 4.805 173 HB3 GLN 42 2HB GLN 42 -6.538 -12.456 5.419 174 HG2 GLN 42 1HG GLN 42 -8.474 -11.042 6.104 175 HG3 GLN 42 2HG GLN 42 -7.655 -9.623 5.440 176 HE21 GLN 42 2HE2 GLN 42 -7.105 -9.682 3.064 177 HE22 GLN 42 1HE2 GLN 42 -8.199 -10.567 2.002 178 H PHE 43 H PHE 43 -3.456 -10.225 6.530 179 HA PHE 43 HA PHE 43 -2.078 -12.863 6.613 180 HB2 PHE 43 1HB PHE 43 -1.125 -10.182 5.539 181 HB3 PHE 43 2HB PHE 43 -0.365 -11.742 5.308 182 HD1 PHE 43 1HD PHE 43 -1.472 -13.471 3.828 183 HD2 PHE 43 2HD PHE 43 -3.039 -9.503 4.219 184 HE1 PHE 43 1HE PHE 43 -2.792 -13.793 1.749 185 HE2 PHE 43 2HE PHE 43 -4.367 -9.801 2.142 186 HZ PHE 43 HZ PHE 43 -4.252 -11.960 0.907 187 H GLY 44 H GLY 44 -1.937 -9.593 8.039 188 HA2 GLY 44 1HA GLY 44 -0.959 -10.545 10.551 189 HA3 GLY 44 2HA GLY 44 0.366 -9.815 9.663 190 H GLU 45 H GLU 45 -0.632 -8.793 12.106 191 HA GLU 45 HA GLU 45 -2.377 -6.536 11.734 192 HB2 GLU 45 1HB GLU 45 -1.923 -7.580 13.918 193 HB3 GLU 45 2HB GLU 45 -0.242 -7.029 13.854 194 HG2 GLU 45 1HG GLU 45 -0.947 -4.695 13.952 195 HG3 GLU 45 2HG GLU 45 -2.641 -5.149 13.733 196 H VAL 46 H VAL 46 -1.946 -4.479 11.000 197 HA VAL 46 HA VAL 46 0.682 -4.066 9.775 198 HB VAL 46 HB VAL 46 -0.240 -2.403 8.420 199 HG11 VAL 46 1HG1 VAL 46 -0.735 -4.767 7.796 200 HG12 VAL 46 2HG1 VAL 46 -2.323 -4.620 8.588 201 HG13 VAL 46 3HG1 VAL 46 -1.940 -3.621 7.181 202 HG21 VAL 46 3HG2 VAL 46 -2.624 -1.711 8.479 203 HG22 VAL 46 1HG2 VAL 46 -2.764 -2.497 10.074 204 HG23 VAL 46 2HG2 VAL 46 -1.669 -1.112 9.837 205 H LYS 47 H LYS 47 2.092 -2.588 10.234 206 HA LYS 47 HA LYS 47 1.987 -1.072 12.769 207 HB2 LYS 47 1HB LYS 47 3.869 -2.557 12.083 208 HB3 LYS 47 2HB LYS 47 4.186 -1.513 10.698 209 HG2 LYS 47 1HG LYS 47 4.705 0.372 12.221 210 HG3 LYS 47 2HG LYS 47 4.337 -0.645 13.617 211 HD2 LYS 47 1HD LYS 47 6.585 -1.093 11.601 212 HD3 LYS 47 2HD LYS 47 6.759 -0.411 13.224 213 HE2 LYS 47 1HE LYS 47 5.855 -2.562 14.179 214 HE3 LYS 47 2HE LYS 47 5.844 -3.239 12.541 215 HZ1 LYS 47 3HZ LYS 47 7.863 -3.842 13.732 216 HZ2 LYS 47 1HZ LYS 47 8.248 -2.901 12.452 217 HZ3 LYS 47 2HZ LYS 47 8.262 -2.276 13.965 218 H GLU 48 H GLU 48 1.725 -0.489 9.346 219 HA GLU 48 HA GLU 48 0.954 2.289 9.644 220 HB2 GLU 48 1HB GLU 48 3.386 2.597 9.712 221 HB3 GLU 48 2HB GLU 48 3.588 1.586 8.288 222 HG2 GLU 48 1HG GLU 48 2.466 3.247 6.882 223 HG3 GLU 48 2HG GLU 48 2.151 4.257 8.301 224 H CYS 49 H CYS 49 -0.205 2.951 7.821 225 HA CYS 49 HA CYS 49 -0.200 1.363 5.357 226 HB2 CYS 49 1HB CYS 49 -2.710 1.115 5.433 227 HB3 CYS 49 2HB CYS 49 -1.827 0.119 6.598 228 HG CYS 49 HG CYS 49 -3.092 3.127 7.233 229 H LEU 50 H LEU 50 -0.565 2.611 3.603 230 HA LEU 50 HA LEU 50 -1.401 5.465 3.915 231 HB2 LEU 50 1HB LEU 50 1.153 4.393 2.648 232 HB3 LEU 50 2HB LEU 50 0.607 6.053 2.510 233 HG LEU 50 HG LEU 50 1.439 4.732 5.124 234 HD11 LEU 50 1HD1 LEU 50 3.299 4.975 3.510 235 HD12 LEU 50 2HD1 LEU 50 2.901 6.691 3.285 236 HD13 LEU 50 3HD1 LEU 50 3.479 6.095 4.863 237 HD21 LEU 50 3HD2 LEU 50 1.468 7.063 5.985 238 HD22 LEU 50 1HD2 LEU 50 0.829 7.651 4.435 239 HD23 LEU 50 2HD2 LEU 50 -0.163 6.607 5.475 240 H VAL 51 H VAL 51 -2.030 6.463 2.000 241 HA VAL 51 HA VAL 51 -1.981 4.989 -0.564 242 HB VAL 51 HB VAL 51 -4.504 6.209 0.639 243 HG11 VAL 51 1HG1 VAL 51 -4.369 7.001 -1.670 244 HG12 VAL 51 2HG1 VAL 51 -3.979 5.357 -2.241 245 HG13 VAL 51 3HG1 VAL 51 -5.581 5.729 -1.560 246 HG21 VAL 51 3HG2 VAL 51 -5.479 3.983 0.061 247 HG22 VAL 51 1HG2 VAL 51 -3.873 3.427 -0.446 248 HG23 VAL 51 2HG2 VAL 51 -4.178 3.870 1.253 249 H MET 52 H MET 52 -1.247 6.293 -2.111 250 HA MET 52 HA MET 52 -0.409 9.004 -1.277 251 HB2 MET 52 1HB MET 52 0.422 7.130 -3.512 252 HB3 MET 52 2HB MET 52 1.090 8.760 -3.285 253 HG2 MET 52 1HG MET 52 1.215 6.630 -1.125 254 HG3 MET 52 2HG MET 52 2.480 6.927 -2.300 255 HE1 MET 52 3HE MET 52 1.901 8.995 1.599 256 HE2 MET 52 1HE MET 52 0.514 8.308 0.722 257 HE3 MET 52 2HE MET 52 1.916 7.281 1.118 258 H ARG 53 H ARG 53 -3.007 9.181 -1.590 259 HA ARG 53 HA ARG 53 -3.881 9.685 -4.250 260 HB2 ARG 53 1HB ARG 53 -5.960 10.457 -3.292 261 HB3 ARG 53 2HB ARG 53 -5.423 8.986 -2.484 262 HG2 ARG 53 1HG ARG 53 -4.600 10.342 -0.561 263 HG3 ARG 53 2HG ARG 53 -5.190 11.806 -1.377 264 HD2 ARG 53 1HD ARG 53 -7.488 10.822 -1.417 265 HD3 ARG 53 2HD ARG 53 -6.879 9.426 -0.504 266 HE ARG 53 HE ARG 53 -6.142 11.729 0.939 267 HH11 ARG 53 1HH1 ARG 53 -9.181 10.138 0.059 268 HH12 ARG 53 2HH1 ARG 53 -10.012 10.761 1.453 269 HH21 ARG 53 1HH2 ARG 53 -7.276 12.493 2.714 270 HH22 ARG 53 2HH2 ARG 53 -8.947 12.071 2.934 271 H ASP 54 H ASP 54 -4.445 11.510 -5.339 272 HA ASP 54 HA ASP 54 -2.812 13.899 -4.987 273 HB2 ASP 54 1HB ASP 54 -3.289 12.984 -7.199 274 HB3 ASP 54 2HB ASP 54 -5.022 13.091 -6.915 275 HA PRO 55 HA PRO 55 -5.973 15.664 -2.379 276 HB2 PRO 55 1HB PRO 55 -4.953 18.137 -1.845 277 HB3 PRO 55 2HB PRO 55 -4.155 16.635 -1.288 278 HG2 PRO 55 1HG PRO 55 -3.523 18.257 -3.782 279 HG3 PRO 55 2HG PRO 55 -2.383 17.690 -2.518 280 HD2 PRO 55 1HD PRO 55 -2.776 16.305 -4.839 281 HD3 PRO 55 2HD PRO 55 -2.492 15.464 -3.285 282 H LEU 56 H LEU 56 -5.453 16.925 -5.600 283 HA LEU 56 HA LEU 56 -7.576 18.966 -5.379 284 HB2 LEU 56 1HB LEU 56 -5.894 18.028 -7.743 285 HB3 LEU 56 2HB LEU 56 -6.941 19.427 -7.691 286 HG LEU 56 HG LEU 56 -4.369 19.055 -6.093 287 HD11 LEU 56 1HD1 LEU 56 -4.030 19.453 -8.503 288 HD12 LEU 56 2HD1 LEU 56 -5.043 20.911 -8.415 289 HD13 LEU 56 3HD1 LEU 56 -3.498 20.841 -7.539 290 HD21 LEU 56 3HD2 LEU 56 -4.652 21.447 -5.449 291 HD22 LEU 56 1HD2 LEU 56 -6.271 21.443 -6.183 292 HD23 LEU 56 2HD2 LEU 56 -5.919 20.423 -4.766 293 H THR 57 H THR 57 -6.961 15.819 -6.901 294 HA THR 57 HA THR 57 -9.759 15.712 -7.965 295 HB THR 57 HB THR 57 -8.910 14.030 -9.502 296 HG1 THR 57 1HG THR 57 -6.371 14.549 -8.340 297 HG21 THR 57 3HG2 THR 57 -7.448 15.379 -10.879 298 HG22 THR 57 1HG2 THR 57 -8.698 16.413 -10.164 299 HG23 THR 57 2HG2 THR 57 -7.044 16.438 -9.514 300 H LYS 58 H LYS 58 -7.866 14.377 -5.484 301 HA LYS 58 HA LYS 58 -8.135 12.800 -3.928 302 HB2 LYS 58 1HB LYS 58 -11.026 12.901 -4.852 303 HB3 LYS 58 2HB LYS 58 -10.479 11.840 -3.572 304 HG2 LYS 58 1HG LYS 58 -11.414 13.852 -2.652 305 HG3 LYS 58 2HG LYS 58 -9.714 13.699 -2.215 306 HD2 LYS 58 1HD LYS 58 -9.087 15.456 -3.764 307 HD3 LYS 58 2HD LYS 58 -10.725 15.491 -4.467 308 HE2 LYS 58 1HE LYS 58 -11.642 16.253 -2.309 309 HE3 LYS 58 2HE LYS 58 -10.043 16.137 -1.561 310 HZ1 LYS 58 3HZ LYS 58 -10.567 18.413 -2.237 311 HZ2 LYS 58 1HZ LYS 58 -9.259 17.862 -3.050 312 HZ3 LYS 58 2HZ LYS 58 -10.716 17.963 -3.803 313 H ARG 59 H ARG 59 -7.966 12.047 -7.060 314 HA ARG 59 HA ARG 59 -8.300 9.209 -7.272 315 HB2 ARG 59 1HB ARG 59 -6.291 11.100 -8.570 316 HB3 ARG 59 2HB ARG 59 -6.582 9.428 -9.067 317 HG2 ARG 59 1HG ARG 59 -8.905 9.944 -9.653 318 HG3 ARG 59 2HG ARG 59 -8.722 11.606 -9.074 319 HD2 ARG 59 1HD ARG 59 -6.956 12.012 -10.759 320 HD3 ARG 59 2HD ARG 59 -7.175 10.361 -11.376 321 HE ARG 59 HE ARG 59 -9.705 11.626 -11.367 322 HH11 ARG 59 1HH1 ARG 59 -6.656 11.948 -13.126 323 HH12 ARG 59 2HH1 ARG 59 -7.432 12.588 -14.545 324 HH21 ARG 59 1HH2 ARG 59 -10.647 12.466 -13.223 325 HH22 ARG 59 2HH2 ARG 59 -9.662 12.873 -14.595 326 H SER 60 H SER 60 -7.189 7.557 -6.448 327 HA SER 60 HA SER 60 -5.245 7.903 -4.354 328 HB2 SER 60 1HB SER 60 -5.302 5.488 -4.256 329 HB3 SER 60 2HB SER 60 -6.950 6.084 -4.546 330 HG SER 60 HG SER 60 -6.596 4.436 -5.969 331 H ARG 61 H ARG 61 -4.743 8.085 -7.651 332 HA ARG 61 HA ARG 61 -3.043 7.839 -9.118 333 HB2 ARG 61 1HB ARG 61 -1.204 7.698 -6.687 334 HB3 ARG 61 2HB ARG 61 -0.677 7.771 -8.360 335 HG2 ARG 61 1HG ARG 61 -1.796 9.966 -8.649 336 HG3 ARG 61 2HG ARG 61 -2.313 9.919 -6.958 337 HD2 ARG 61 1HD ARG 61 -0.321 11.301 -7.146 338 HD3 ARG 61 2HD ARG 61 0.048 9.839 -6.228 339 HE ARG 61 HE ARG 61 0.652 9.836 -9.131 340 HH11 ARG 61 1HH1 ARG 61 2.071 10.155 -5.868 341 HH12 ARG 61 2HH1 ARG 61 3.630 9.592 -6.470 342 HH21 ARG 61 1HH2 ARG 61 2.774 9.167 -9.707 343 HH22 ARG 61 2HH2 ARG 61 3.989 9.102 -8.435 344 H GLY 62 H GLY 62 -4.293 5.399 -7.454 345 HA2 GLY 62 1HA GLY 62 -4.451 3.166 -7.942 346 HA3 GLY 62 2HA GLY 62 -3.170 3.340 -9.163 347 H PHE 63 H PHE 63 -2.254 4.439 -5.960 348 HA PHE 63 HA PHE 63 -1.300 1.822 -5.157 349 HB2 PHE 63 1HB PHE 63 0.977 2.024 -5.492 350 HB3 PHE 63 2HB PHE 63 0.332 2.665 -6.981 351 HD1 PHE 63 2HD PHE 63 0.224 5.241 -7.247 352 HD2 PHE 63 1HD PHE 63 2.322 3.305 -4.019 353 HE1 PHE 63 2HE PHE 63 1.434 7.345 -6.765 354 HE2 PHE 63 1HE PHE 63 3.584 5.389 -3.596 355 HZ PHE 63 HZ PHE 63 3.117 7.424 -4.908 356 H GLY 64 H GLY 64 -0.054 1.725 -3.271 357 HA2 GLY 64 1HA GLY 64 0.200 4.037 -1.463 358 HA3 GLY 64 2HA GLY 64 -0.950 2.807 -0.960 359 H PHE 65 H PHE 65 0.362 2.478 0.882 360 HA PHE 65 HA PHE 65 2.546 0.510 0.506 361 HB2 PHE 65 1HB PHE 65 2.847 3.160 1.961 362 HB3 PHE 65 2HB PHE 65 3.849 1.780 2.323 363 HD1 PHE 65 2HD PHE 65 5.568 0.979 0.821 364 HD2 PHE 65 1HD PHE 65 3.139 4.409 -0.202 365 HE1 PHE 65 2HE PHE 65 7.245 1.676 -0.861 366 HE2 PHE 65 1HE PHE 65 4.833 5.098 -1.853 367 HZ PHE 65 HZ PHE 65 6.883 3.762 -2.190 368 H VAL 66 H VAL 66 2.833 -0.874 2.256 369 HA VAL 66 HA VAL 66 1.330 -0.366 4.766 370 HB VAL 66 HB VAL 66 1.027 -2.951 3.188 371 HG11 VAL 66 1HG1 VAL 66 1.241 -3.507 5.587 372 HG12 VAL 66 2HG1 VAL 66 0.019 -2.275 5.987 373 HG13 VAL 66 3HG1 VAL 66 -0.426 -3.718 5.054 374 HG21 VAL 66 3HG2 VAL 66 -1.400 -2.449 3.308 375 HG22 VAL 66 1HG2 VAL 66 -1.051 -0.912 4.123 376 HG23 VAL 66 2HG2 VAL 66 -0.535 -1.181 2.448 377 H THR 67 H THR 67 2.426 -0.874 6.506 378 HA THR 67 HA THR 67 4.924 -2.539 6.377 379 HB THR 67 HB THR 67 4.211 -0.475 8.482 380 HG1 THR 67 1HG THR 67 5.540 0.926 7.347 381 HG21 THR 67 3HG2 THR 67 6.604 -0.524 8.997 382 HG22 THR 67 1HG2 THR 67 5.948 -2.162 9.123 383 HG23 THR 67 2HG2 THR 67 6.892 -1.695 7.698 384 H PHE 68 H PHE 68 5.072 -4.212 7.846 385 HA PHE 68 HA PHE 68 2.566 -4.899 9.335 386 HB2 PHE 68 1HB PHE 68 4.730 -6.636 8.112 387 HB3 PHE 68 2HB PHE 68 3.420 -7.236 9.120 388 HD1 PHE 68 2HD PHE 68 4.199 -5.638 5.843 389 HD2 PHE 68 1HD PHE 68 1.167 -7.489 8.290 390 HE1 PHE 68 2HE PHE 68 2.713 -5.829 3.864 391 HE2 PHE 68 1HE PHE 68 -0.315 -7.675 6.310 392 HZ PHE 68 HZ PHE 68 0.461 -6.845 4.092 393 H MET 69 H MET 69 2.672 -5.824 11.391 394 HA MET 69 HA MET 69 4.762 -4.930 13.180 395 HB2 MET 69 1HB MET 69 2.487 -6.914 13.530 396 HB3 MET 69 2HB MET 69 3.544 -6.379 14.837 397 HG2 MET 69 1HG MET 69 1.759 -4.548 13.189 398 HG3 MET 69 2HG MET 69 1.406 -5.173 14.793 399 HE1 MET 69 3HE MET 69 1.858 -1.492 15.678 400 HE2 MET 69 1HE MET 69 0.962 -2.311 14.378 401 HE3 MET 69 2HE MET 69 0.965 -2.988 16.017 402 H ASP 70 H ASP 70 4.601 -7.691 11.142 403 HA ASP 70 HA ASP 70 7.230 -8.562 12.008 404 HB2 ASP 70 1HB ASP 70 5.581 -9.813 13.530 405 HB3 ASP 70 2HB ASP 70 4.990 -10.614 12.069 406 H GLN 71 H GLN 71 8.206 -10.025 10.510 407 HA GLN 71 HA GLN 71 7.640 -9.546 7.760 408 HB2 GLN 71 1HB GLN 71 9.857 -10.102 8.888 409 HB3 GLN 71 2HB GLN 71 9.287 -11.752 9.059 410 HG2 GLN 71 1HG GLN 71 10.792 -11.558 7.144 411 HG3 GLN 71 2HG GLN 71 9.187 -11.988 6.588 412 HE21 GLN 71 2HE2 GLN 71 10.266 -11.185 4.478 413 HE22 GLN 71 1HE2 GLN 71 10.124 -9.463 4.155 414 H ALA 72 H ALA 72 6.467 -12.061 9.941 415 HA ALA 72 HA ALA 72 5.800 -14.068 8.085 416 HB1 ALA 72 1HB ALA 72 5.751 -14.334 10.539 417 HB2 ALA 72 2HB ALA 72 4.344 -13.244 10.636 418 HB3 ALA 72 3HB ALA 72 4.203 -14.812 9.812 419 H GLY 73 H GLY 73 4.118 -10.986 8.575 420 HA2 GLY 73 1HA GLY 73 1.803 -11.830 6.958 421 HA3 GLY 73 2HA GLY 73 2.156 -10.179 7.506 422 H VAL 74 H VAL 74 4.831 -10.086 6.433 423 HA VAL 74 HA VAL 74 4.331 -9.226 3.724 424 HB VAL 74 HB VAL 74 6.949 -9.783 5.178 425 HG11 VAL 74 1HG1 VAL 74 7.438 -10.005 2.816 426 HG12 VAL 74 2HG1 VAL 74 6.551 -8.514 2.440 427 HG13 VAL 74 3HG1 VAL 74 8.053 -8.452 3.381 428 HG21 VAL 74 3HG2 VAL 74 7.133 -7.332 5.292 429 HG22 VAL 74 1HG2 VAL 74 5.554 -7.168 4.498 430 HG23 VAL 74 2HG2 VAL 74 5.678 -7.899 6.115 431 H ASP 75 H ASP 75 5.954 -12.124 5.116 432 HA ASP 75 HA ASP 75 6.657 -13.482 2.790 433 HB2 ASP 75 1HB ASP 75 7.200 -14.093 5.171 434 HB3 ASP 75 2HB ASP 75 5.558 -14.674 5.376 435 H LYS 76 H LYS 76 3.488 -13.680 4.498 436 HA LYS 76 HA LYS 76 2.313 -15.586 2.712 437 HB2 LYS 76 1HB LYS 76 1.052 -13.437 4.455 438 HB3 LYS 76 2HB LYS 76 0.178 -14.778 3.679 439 HG2 LYS 76 1HG LYS 76 1.181 -16.427 5.041 440 HG3 LYS 76 2HG LYS 76 2.426 -15.314 5.635 441 HD2 LYS 76 1HD LYS 76 0.594 -13.890 6.635 442 HD3 LYS 76 2HD LYS 76 -0.592 -15.119 6.145 443 HE2 LYS 76 1HE LYS 76 0.554 -16.779 7.567 444 HE3 LYS 76 2HE LYS 76 1.789 -15.572 7.987 445 HZ1 LYS 76 3HZ LYS 76 0.148 -15.660 9.731 446 HZ2 LYS 76 1HZ LYS 76 -0.022 -14.218 8.962 447 HZ3 LYS 76 2HZ LYS 76 -1.089 -15.426 8.688 448 H VAL 77 H VAL 77 2.411 -12.031 2.569 449 HA VAL 77 HA VAL 77 0.459 -11.826 0.444 450 HB VAL 77 HB VAL 77 2.536 -9.835 1.394 451 HG11 VAL 77 1HG1 VAL 77 1.896 -9.229 -0.920 452 HG12 VAL 77 2HG1 VAL 77 0.179 -9.368 -0.488 453 HG13 VAL 77 3HG1 VAL 77 1.191 -8.100 0.237 454 HG21 VAL 77 3HG2 VAL 77 0.630 -8.756 2.519 455 HG22 VAL 77 1HG2 VAL 77 -0.504 -9.919 1.799 456 HG23 VAL 77 2HG2 VAL 77 0.654 -10.454 3.013 457 H LEU 78 H LEU 78 4.014 -12.205 0.469 458 HA LEU 78 HA LEU 78 4.316 -11.940 -2.422 459 HB2 LEU 78 1HB LEU 78 6.053 -13.320 -0.341 460 HB3 LEU 78 2HB LEU 78 6.565 -12.842 -1.956 461 HG LEU 78 HG LEU 78 5.645 -10.847 0.163 462 HD11 LEU 78 1HD1 LEU 78 7.524 -12.143 0.953 463 HD12 LEU 78 2HD1 LEU 78 8.417 -11.862 -0.557 464 HD13 LEU 78 3HD1 LEU 78 8.074 -10.498 0.542 465 HD21 LEU 78 3HD2 LEU 78 6.828 -9.209 -1.237 466 HD22 LEU 78 1HD2 LEU 78 7.155 -10.466 -2.451 467 HD23 LEU 78 2HD2 LEU 78 5.482 -9.958 -2.100 468 H ALA 79 H ALA 79 3.946 -14.658 -0.156 469 HA ALA 79 HA ALA 79 4.357 -16.705 -2.054 470 HB1 ALA 79 1HB ALA 79 4.599 -16.980 0.383 471 HB2 ALA 79 2HB ALA 79 2.842 -16.781 0.594 472 HB3 ALA 79 3HB ALA 79 3.485 -18.189 -0.277 473 H GLN 80 H GLN 80 1.567 -14.723 -1.736 474 HA GLN 80 HA GLN 80 -0.229 -16.681 -3.082 475 HB2 GLN 80 1HB GLN 80 -1.035 -15.606 -1.033 476 HB3 GLN 80 2HB GLN 80 -0.790 -14.006 -1.739 477 HG2 GLN 80 1HG GLN 80 -2.488 -14.440 -3.440 478 HG3 GLN 80 2HG GLN 80 -2.657 -16.117 -2.919 479 HE21 GLN 80 2HE2 GLN 80 -4.450 -13.466 -2.915 480 HE22 GLN 80 1HE2 GLN 80 -5.222 -13.623 -1.335 481 H SER 81 H SER 81 -0.758 -16.468 -5.212 482 HA SER 81 HA SER 81 0.826 -14.619 -6.781 483 HB2 SER 81 1HB SER 81 -1.159 -16.725 -7.692 484 HB3 SER 81 2HB SER 81 0.125 -15.978 -8.656 485 HG SER 81 HG SER 81 0.742 -18.049 -7.852 486 H ARG 82 H ARG 82 -2.252 -14.112 -5.538 487 HA ARG 82 HA ARG 82 -3.014 -12.096 -7.551 488 HB2 ARG 82 1HB ARG 82 -3.804 -14.253 -8.477 489 HB3 ARG 82 2HB ARG 82 -4.595 -14.634 -6.956 490 HG2 ARG 82 1HG ARG 82 -6.212 -13.993 -8.553 491 HG3 ARG 82 2HG ARG 82 -6.191 -12.760 -7.300 492 HD2 ARG 82 1HD ARG 82 -5.073 -11.180 -8.759 493 HD3 ARG 82 2HD ARG 82 -4.666 -12.449 -9.916 494 HE ARG 82 HE ARG 82 -6.771 -12.380 -10.830 495 HH11 ARG 82 1HH1 ARG 82 -6.933 -10.224 -7.944 496 HH12 ARG 82 2HH1 ARG 82 -8.640 -9.963 -8.276 497 HH21 ARG 82 1HH2 ARG 82 -8.959 -11.770 -11.075 498 HH22 ARG 82 2HH2 ARG 82 -9.656 -10.702 -9.862 499 H HIS 83 H HIS 83 -4.154 -10.469 -6.640 500 HA HIS 83 HA HIS 83 -5.580 -10.826 -4.051 501 HB2 HIS 83 1HB HIS 83 -3.438 -8.758 -4.697 502 HB3 HIS 83 2HB HIS 83 -4.510 -8.672 -3.297 503 HD1 HIS 83 1HD HIS 83 -4.141 -10.635 -1.400 504 HD2 HIS 83 2HD HIS 83 -1.283 -10.285 -4.464 505 HE1 HIS 83 1HE HIS 83 -2.059 -11.887 -0.593 506 H GLU 84 H GLU 84 -7.070 -8.990 -3.587 507 HA GLU 84 HA GLU 84 -7.840 -7.237 -5.790 508 HB2 GLU 84 1HB GLU 84 -8.785 -9.667 -6.198 509 HB3 GLU 84 2HB GLU 84 -9.940 -9.250 -4.944 510 HG2 GLU 84 1HG GLU 84 -10.681 -7.289 -6.251 511 HG3 GLU 84 2HG GLU 84 -9.418 -7.595 -7.454 512 H LEU 85 H LEU 85 -8.870 -5.479 -5.075 513 HA LEU 85 HA LEU 85 -10.395 -5.406 -2.560 514 HB2 LEU 85 1HB LEU 85 -8.105 -5.114 -1.764 515 HB3 LEU 85 2HB LEU 85 -7.782 -3.910 -3.013 516 HG LEU 85 HG LEU 85 -9.387 -2.350 -1.930 517 HD11 LEU 85 1HD1 LEU 85 -10.924 -3.895 -0.803 518 HD12 LEU 85 2HD1 LEU 85 -9.604 -4.535 0.192 519 HD13 LEU 85 3HD1 LEU 85 -10.151 -2.863 0.409 520 HD21 LEU 85 3HD2 LEU 85 -7.969 -1.840 0.008 521 HD22 LEU 85 1HD2 LEU 85 -7.242 -3.461 -0.067 522 HD23 LEU 85 2HD2 LEU 85 -6.981 -2.301 -1.388 523 H ASP 86 H ASP 86 -12.024 -3.932 -2.729 524 HA ASP 86 HA ASP 86 -13.611 -2.725 -3.775 525 HB2 ASP 86 1HB ASP 86 -11.930 -0.904 -3.375 526 HB3 ASP 86 2HB ASP 86 -11.363 -1.111 -5.030 527 H SER 87 H SER 87 -12.773 -5.140 -5.006 528 HA SER 87 HA SER 87 -13.020 -6.443 -6.844 529 HB2 SER 87 1HB SER 87 -14.688 -4.190 -8.002 530 HB3 SER 87 2HB SER 87 -14.643 -5.873 -8.537 531 HG SER 87 HG SER 87 -16.425 -5.441 -7.127 532 H LYS 88 H LYS 88 -10.780 -4.342 -6.752 533 HA LYS 88 HA LYS 88 -9.988 -4.352 -9.642 534 HB2 LYS 88 1HB LYS 88 -9.393 -2.445 -7.347 535 HB3 LYS 88 2HB LYS 88 -8.466 -2.439 -8.833 536 HG2 LYS 88 1HG LYS 88 -11.462 -2.295 -9.116 537 HG3 LYS 88 2HG LYS 88 -10.650 -0.902 -8.419 538 HD2 LYS 88 1HD LYS 88 -9.136 -0.788 -10.410 539 HD3 LYS 88 2HD LYS 88 -9.999 -2.168 -11.101 540 HE2 LYS 88 1HE LYS 88 -10.916 -0.148 -12.088 541 HE3 LYS 88 2HE LYS 88 -12.133 -0.830 -11.007 542 HZ1 LYS 88 3HZ LYS 88 -11.960 1.553 -10.690 543 HZ2 LYS 88 1HZ LYS 88 -11.420 0.838 -9.322 544 HZ3 LYS 88 2HZ LYS 88 -10.361 1.480 -10.393 545 H THR 89 H THR 89 -8.102 -5.240 -10.183 546 HA THR 89 HA THR 89 -6.965 -7.208 -8.346 547 HB THR 89 HB THR 89 -6.152 -6.500 -11.190 548 HG1 THR 89 1HG THR 89 -7.518 -8.233 -11.673 549 HG21 THR 89 3HG2 THR 89 -5.280 -8.875 -11.151 550 HG22 THR 89 1HG2 THR 89 -4.380 -7.777 -10.095 551 HG23 THR 89 2HG2 THR 89 -5.558 -8.899 -9.394 552 H ILE 90 H ILE 90 -5.548 -6.636 -6.822 553 HA ILE 90 HA ILE 90 -3.744 -4.324 -7.319 554 HB ILE 90 HB ILE 90 -3.404 -4.116 -5.012 555 HG12 ILE 90 1HG1 ILE 90 -5.004 -6.632 -4.479 556 HG13 ILE 90 2HG1 ILE 90 -3.240 -6.478 -4.365 557 HG21 ILE 90 1HG2 ILE 90 -5.586 -3.279 -6.013 558 HG22 ILE 90 2HG2 ILE 90 -6.379 -4.723 -5.352 559 HG23 ILE 90 3HG2 ILE 90 -5.655 -3.541 -4.269 560 HD11 ILE 90 3HD1 ILE 90 -4.042 -6.256 -2.154 561 HD12 ILE 90 1HD1 ILE 90 -3.579 -4.620 -2.679 562 HD13 ILE 90 2HD1 ILE 90 -5.295 -5.095 -2.627 563 H ASP 91 H ASP 91 -1.550 -4.372 -6.658 564 HA ASP 91 HA ASP 91 -0.177 -6.996 -7.087 565 HB2 ASP 91 1HB ASP 91 -0.448 -5.838 -9.217 566 HB3 ASP 91 2HB ASP 91 0.271 -4.378 -8.539 567 HA PRO 92 HA PRO 92 1.859 -4.771 -3.636 568 HB2 PRO 92 1HB PRO 92 1.563 -6.694 -1.685 569 HB3 PRO 92 2HB PRO 92 0.370 -5.428 -2.060 570 HG2 PRO 92 1HG PRO 92 0.187 -8.323 -2.645 571 HG3 PRO 92 2HG PRO 92 -1.104 -7.072 -2.591 572 HD2 PRO 92 1HD PRO 92 0.265 -8.170 -4.897 573 HD3 PRO 92 2HD PRO 92 -1.085 -7.014 -4.827 574 H LYS 93 H LYS 93 3.940 -4.917 -2.967 575 HA LYS 93 HA LYS 93 5.612 -7.300 -3.400 576 HB2 LYS 93 1HB LYS 93 6.953 -6.271 -5.168 577 HB3 LYS 93 2HB LYS 93 5.268 -6.361 -5.657 578 HG2 LYS 93 1HG LYS 93 5.093 -3.898 -4.786 579 HG3 LYS 93 2HG LYS 93 6.853 -3.918 -4.753 580 HD2 LYS 93 1HD LYS 93 6.129 -2.893 -6.803 581 HD3 LYS 93 2HD LYS 93 6.841 -4.466 -7.211 582 HE2 LYS 93 1HE LYS 93 4.595 -5.464 -7.399 583 HE3 LYS 93 2HE LYS 93 3.841 -3.968 -6.845 584 HZ1 LYS 93 3HZ LYS 93 3.802 -4.311 -9.270 585 HZ2 LYS 93 1HZ LYS 93 4.491 -2.893 -8.860 586 HZ3 LYS 93 2HZ LYS 93 5.433 -4.161 -9.341 587 H VAL 94 H VAL 94 7.947 -6.835 -2.886 588 HA VAL 94 HA VAL 94 8.101 -5.620 -0.296 589 HB VAL 94 HB VAL 94 10.411 -6.430 -2.110 590 HG11 VAL 94 1HG1 VAL 94 11.230 -5.000 -0.296 591 HG12 VAL 94 2HG1 VAL 94 10.304 -5.930 0.904 592 HG13 VAL 94 3HG1 VAL 94 11.674 -6.669 0.046 593 HG21 VAL 94 3HG2 VAL 94 10.417 -8.521 -0.721 594 HG22 VAL 94 1HG2 VAL 94 8.898 -7.993 0.033 595 HG23 VAL 94 2HG2 VAL 94 8.970 -8.357 -1.708 596 H ALA 95 H ALA 95 8.745 -3.645 0.417 597 HA ALA 95 HA ALA 95 8.867 -1.446 -1.500 598 HB1 ALA 95 1HB ALA 95 7.615 -1.277 0.618 599 HB2 ALA 95 2HB ALA 95 9.119 -1.514 1.535 600 HB3 ALA 95 3HB ALA 95 8.902 -0.059 0.541 601 H PHE 96 H PHE 96 10.613 -0.182 -2.049 602 HA PHE 96 HA PHE 96 13.235 -1.159 -1.975 603 HB2 PHE 96 1HB PHE 96 12.334 1.735 -2.190 604 HB3 PHE 96 2HB PHE 96 13.909 1.126 -2.666 605 HD1 PHE 96 1HD PHE 96 12.720 -1.498 -4.081 606 HD2 PHE 96 2HD PHE 96 11.908 2.736 -4.332 607 HE1 PHE 96 1HE PHE 96 11.926 -1.782 -6.401 608 HE2 PHE 96 2HE PHE 96 11.119 2.440 -6.661 609 HZ PHE 96 HZ PHE 96 11.119 0.180 -7.701 610 HA PRO 97 HA PRO 97 14.909 -0.382 2.063 611 HB2 PRO 97 1HB PRO 97 17.330 0.687 0.596 612 HB3 PRO 97 2HB PRO 97 17.262 -0.460 1.971 613 HG2 PRO 97 1HG PRO 97 17.632 -1.389 -0.539 614 HG3 PRO 97 2HG PRO 97 16.474 -2.221 0.552 615 HD2 PRO 97 1HD PRO 97 15.882 -0.229 -1.651 616 HD3 PRO 97 2HD PRO 97 15.071 -1.777 -1.260 617 H ARG 98 H ARG 98 15.062 1.217 3.567 618 HA ARG 98 HA ARG 98 15.253 4.085 2.868 619 HB2 ARG 98 1HB ARG 98 12.823 2.694 4.080 620 HB3 ARG 98 2HB ARG 98 13.120 4.404 4.321 621 HG2 ARG 98 1HG ARG 98 12.651 3.118 1.598 622 HG3 ARG 98 2HG ARG 98 11.462 3.943 2.594 623 HD2 ARG 98 1HD ARG 98 12.054 5.624 1.131 624 HD3 ARG 98 2HD ARG 98 13.066 5.971 2.544 625 HE ARG 98 HE ARG 98 14.438 4.265 0.675 626 HH11 ARG 98 1HH1 ARG 98 13.604 7.671 1.192 627 HH12 ARG 98 2HH1 ARG 98 14.903 8.230 0.172 628 HH21 ARG 98 1HH2 ARG 98 16.085 5.042 -0.591 629 HH22 ARG 98 2HH2 ARG 98 16.305 6.752 -0.818 630 H ARG 99 H ARG 99 15.654 5.428 4.597 631 HA ARG 99 HA ARG 99 16.007 4.340 7.338 632 HB2 ARG 99 1HB ARG 99 18.118 5.890 5.773 633 HB3 ARG 99 2HB ARG 99 18.151 5.678 7.515 634 HG2 ARG 99 1HG ARG 99 18.348 3.456 5.439 635 HG3 ARG 99 2HG ARG 99 19.671 4.129 6.379 636 HD2 ARG 99 1HD ARG 99 17.329 2.524 7.464 637 HD3 ARG 99 2HD ARG 99 18.990 1.982 7.295 638 HE ARG 99 HE ARG 99 19.629 3.778 8.934 639 HH11 ARG 99 1HH1 ARG 99 16.383 2.369 9.129 640 HH12 ARG 99 2HH1 ARG 99 16.184 2.848 10.787 641 HH21 ARG 99 1HH2 ARG 99 19.309 4.338 11.069 642 HH22 ARG 99 2HH2 ARG 99 17.825 3.926 11.872 643 H ALA 100 H ALA 100 14.883 5.561 8.653 644 HA ALA 100 HA ALA 100 14.770 8.452 8.667 645 HB1 ALA 100 1HB ALA 100 13.248 8.033 6.746 646 HB2 ALA 100 2HB ALA 100 12.303 6.894 7.730 647 HB3 ALA 100 3HB ALA 100 12.335 8.622 8.138 648 H GLN 101 H GLN 101 13.241 9.239 10.398 649 HA GLN 101 HA GLN 101 12.268 7.327 12.373 650 HB2 GLN 101 1HB GLN 101 13.590 8.331 14.155 651 HB3 GLN 101 2HB GLN 101 14.645 7.563 12.980 652 HG2 GLN 101 1HG GLN 101 15.415 9.676 12.151 653 HG3 GLN 101 2HG GLN 101 14.101 10.566 12.922 654 HE21 GLN 101 2HE2 GLN 101 14.074 10.777 15.303 655 HE22 GLN 101 1HE2 GLN 101 15.616 10.686 16.151 656 HA PRO 102 HA PRO 102 9.601 10.920 13.192 657 HB2 PRO 102 1HB PRO 102 8.742 10.461 15.735 658 HB3 PRO 102 2HB PRO 102 8.209 9.455 14.352 659 HG2 PRO 102 1HG PRO 102 10.440 8.868 16.330 660 HG3 PRO 102 2HG PRO 102 9.104 7.786 15.818 661 HD2 PRO 102 1HD PRO 102 11.574 7.655 14.689 662 HD3 PRO 102 2HD PRO 102 10.098 7.396 13.717 663 H LYS 103 H LYS 103 9.595 12.868 14.462 664 HA LYS 103 HA LYS 103 11.605 13.452 16.473 665 HB2 LYS 103 1HB LYS 103 12.960 13.511 14.362 666 HB3 LYS 103 2HB LYS 103 11.893 14.777 13.740 667 HG2 LYS 103 1HG LYS 103 12.555 16.262 15.614 668 HG3 LYS 103 2HG LYS 103 13.562 14.966 16.294 669 HD2 LYS 103 1HD LYS 103 14.969 14.987 14.250 670 HD3 LYS 103 2HD LYS 103 13.956 16.279 13.566 671 HE2 LYS 103 1HE LYS 103 14.535 17.743 15.491 672 HE3 LYS 103 2HE LYS 103 15.542 16.459 16.170 673 HZ1 LYS 103 3HZ LYS 103 16.872 18.056 14.919 674 HZ2 LYS 103 1HZ LYS 103 16.949 16.603 14.183 675 HZ3 LYS 103 2HZ LYS 103 16.017 17.791 13.555 676 H5' G 104 H5' G 104 -4.559 -0.292 -13.843 677 H5'' G 104 H5" G 104 -2.943 0.080 -13.230 678 H4' G 104 H4' G 104 -3.922 2.044 -14.276 679 H3' G 104 H3' G 104 -2.968 2.035 -11.546 680 H2' G 104 H2' G 104 -4.946 2.756 -10.622 681 HO2' G 104 HO2 G 104 -3.622 4.937 -11.734 682 H1' G 104 H1' G 104 -5.727 4.101 -13.224 683 H8 G 104 8H G 104 -7.041 2.352 -10.022 684 H1 G 104 1H G 104 -11.544 5.184 -13.632 685 H21 G 104 1H2 G 104 -10.568 6.008 -15.492 686 H22 G 104 2H2 G 104 -8.847 5.774 -15.744 687 HO5' G 104 H5T G 104 -5.360 -0.149 -11.718 688 H5' U 105 H5' U 105 -1.352 3.292 -10.394 689 H5'' U 105 H5" U 105 -0.198 4.419 -11.108 690 H4' U 105 H4' U 105 0.700 3.530 -9.076 691 H3' U 105 H3' U 105 2.143 3.568 -11.403 692 H2' U 105 H2' U 105 1.687 1.329 -11.994 693 HO2' U 105 HO2 U 105 4.179 1.654 -10.998 694 H1' U 105 H1' U 105 2.142 0.464 -9.143 695 H3 U 105 3H U 105 1.536 -3.829 -10.518 696 H5 U 105 5H U 105 -1.649 -1.806 -12.335 697 H6 U 105 6H U 105 -0.775 0.294 -11.447 698 H5' A 106 H5' A 106 3.793 4.568 -7.059 699 H5'' A 106 H5" A 106 4.106 5.958 -8.088 700 H4' A 106 H4' A 106 5.056 6.404 -5.969 701 H3' A 106 H3' A 106 6.552 6.632 -8.264 702 H2' A 106 H2' A 106 7.609 4.543 -8.136 703 HO2' A 106 HO2 A 106 9.180 6.487 -6.870 704 H1' A 106 H1' A 106 8.046 4.794 -5.164 705 H8 A 106 8H A 106 6.953 2.364 -8.019 706 H61 A 106 1H6 A 106 9.054 -1.960 -3.975 707 H62 A 106 2H6 A 106 8.434 -1.758 -5.613 708 H2 A 106 2H A 106 9.377 1.890 -2.070 709 H5' G 107 H5' G 107 7.719 8.824 -3.781 710 H5'' G 107 H5" G 107 7.099 7.181 -3.608 711 H4' G 107 H4' G 107 5.440 9.374 -2.401 712 H3' G 107 H3' G 107 8.183 8.581 -1.389 713 H2' G 107 H2' G 107 7.307 8.859 0.819 714 HO2' G 107 HO2 G 107 6.132 10.907 0.059 715 H1' G 107 H1' G 107 4.712 7.956 0.223 716 H8 G 107 8H G 107 4.751 6.373 2.173 717 H1 G 107 1H G 107 10.264 3.609 0.322 718 H21 G 107 1H2 G 107 11.070 4.721 -1.483 719 H22 G 107 2H2 G 107 10.181 6.094 -2.110 720 H5' U 108 H5' U 108 10.104 12.146 1.547 721 H5'' U 108 H5" U 108 11.217 11.335 0.446 722 H4' U 108 H4' U 108 11.796 10.676 2.624 723 H3' U 108 H3' U 108 11.161 8.726 0.735 724 HO3' U 108 H3T U 108 12.295 8.558 3.375 725 H2' U 108 H2' U 108 9.056 8.211 1.609 726 HO2' U 108 HO2 U 108 10.857 6.626 3.155 727 H1' U 108 H1' U 108 10.095 8.519 4.433 728 H3 U 108 3H U 108 5.996 7.302 5.972 729 H5 U 108 5H U 108 5.137 10.331 3.214 730 H6 U 108 6H U 108 7.494 10.382 2.585 Start of MODEL 4 1 H CYS 20 1H CYS 20 11.234 -5.625 6.121 2 HA CYS 20 HA CYS 20 9.030 -6.494 5.708 3 HB2 CYS 20 1HB CYS 20 7.142 -5.777 7.152 4 HB3 CYS 20 2HB CYS 20 8.315 -6.703 8.070 5 HG CYS 20 HG CYS 20 7.316 -4.730 9.526 6 H LYS 21 H LYS 21 7.011 -4.721 5.480 7 HA LYS 21 HA LYS 21 6.183 -2.827 4.663 8 HB2 LYS 21 1HB LYS 21 8.034 -1.494 5.672 9 HB3 LYS 21 2HB LYS 21 8.900 -1.602 4.129 10 HG2 LYS 21 1HG LYS 21 7.141 -0.427 2.962 11 HG3 LYS 21 2HG LYS 21 6.036 -0.590 4.327 12 HD2 LYS 21 1HD LYS 21 7.528 0.899 5.682 13 HD3 LYS 21 2HD LYS 21 8.545 1.130 4.245 14 HE2 LYS 21 1HE LYS 21 6.680 2.068 2.996 15 HE3 LYS 21 2HE LYS 21 5.531 1.659 4.283 16 HZ1 LYS 21 3HZ LYS 21 6.356 4.025 4.134 17 HZ2 LYS 21 1HZ LYS 21 6.362 3.352 5.633 18 HZ3 LYS 21 2HZ LYS 21 7.769 3.511 4.757 19 H MET 22 H MET 22 5.276 -2.406 2.813 20 HA MET 22 HA MET 22 6.365 -3.521 0.274 21 HB2 MET 22 1HB MET 22 3.660 -4.160 1.537 22 HB3 MET 22 2HB MET 22 4.186 -4.640 -0.076 23 HG2 MET 22 1HG MET 22 6.128 -5.869 1.018 24 HG3 MET 22 2HG MET 22 5.394 -5.496 2.573 25 HE1 MET 22 3HE MET 22 4.048 -8.538 -0.564 26 HE2 MET 22 1HE MET 22 3.904 -6.812 -0.962 27 HE3 MET 22 2HE MET 22 5.491 -7.506 -0.556 28 H PHE 23 H PHE 23 5.746 -2.552 -1.497 29 HA PHE 23 HA PHE 23 4.078 -0.091 -1.514 30 HB2 PHE 23 1HB PHE 23 6.061 0.124 -2.800 31 HB3 PHE 23 2HB PHE 23 5.952 -1.508 -3.436 32 HD1 PHE 23 2HD PHE 23 4.229 -2.093 -5.162 33 HD2 PHE 23 1HD PHE 23 5.005 1.980 -4.008 34 HE1 PHE 23 2HE PHE 23 3.171 -1.311 -7.259 35 HE2 PHE 23 1HE PHE 23 3.952 2.749 -6.128 36 HZ PHE 23 HZ PHE 23 3.039 1.129 -7.744 37 H ILE 24 H ILE 24 2.048 -0.112 -2.432 38 HA ILE 24 HA ILE 24 0.906 -2.789 -3.200 39 HB ILE 24 HB ILE 24 -0.634 -0.535 -1.887 40 HG12 ILE 24 1HG1 ILE 24 0.985 -1.101 -0.204 41 HG13 ILE 24 2HG1 ILE 24 -0.605 -1.682 0.233 42 HG21 ILE 24 1HG2 ILE 24 -1.905 -2.189 -3.186 43 HG22 ILE 24 2HG2 ILE 24 -1.208 -3.510 -2.239 44 HG23 ILE 24 3HG2 ILE 24 -2.262 -2.320 -1.456 45 HD11 ILE 24 3HD1 ILE 24 1.205 -3.260 0.837 46 HD12 ILE 24 1HD1 ILE 24 0.032 -3.987 -0.264 47 HD13 ILE 24 2HD1 ILE 24 1.618 -3.458 -0.866 48 H GLY 25 H GLY 25 0.824 -2.708 -5.401 49 HA2 GLY 25 1HA GLY 25 -0.045 -0.221 -6.801 50 HA3 GLY 25 2HA GLY 25 0.708 -1.657 -7.523 51 H GLY 26 H GLY 26 -1.508 -0.458 -8.665 52 HA2 GLY 26 1HA GLY 26 -3.365 -1.237 -9.817 53 HA3 GLY 26 2HA GLY 26 -3.228 -2.787 -8.962 54 H LEU 27 H LEU 27 -3.502 0.048 -6.965 55 HA LEU 27 HA LEU 27 -5.951 -0.883 -5.736 56 HB2 LEU 27 1HB LEU 27 -4.532 1.810 -5.521 57 HB3 LEU 27 2HB LEU 27 -5.837 1.268 -4.491 58 HG LEU 27 HG LEU 27 -3.041 0.064 -4.592 59 HD11 LEU 27 1HD1 LEU 27 -3.330 2.278 -3.447 60 HD12 LEU 27 2HD1 LEU 27 -4.568 1.565 -2.413 61 HD13 LEU 27 3HD1 LEU 27 -2.889 0.978 -2.322 62 HD21 LEU 27 3HD2 LEU 27 -3.973 -1.205 -2.534 63 HD22 LEU 27 1HD2 LEU 27 -5.567 -0.905 -3.248 64 HD23 LEU 27 2HD2 LEU 27 -4.319 -1.789 -4.159 65 H SER 28 H SER 28 -7.835 0.611 -5.376 66 HA SER 28 HA SER 28 -8.913 1.560 -7.973 67 HB2 SER 28 1HB SER 28 -10.163 0.128 -6.185 68 HB3 SER 28 2HB SER 28 -10.321 1.648 -5.302 69 HG SER 28 HG SER 28 -12.091 1.244 -6.636 70 H TRP 29 H TRP 29 -9.585 3.748 -8.289 71 HA TRP 29 HA TRP 29 -8.126 5.814 -6.931 72 HB2 TRP 29 1HB TRP 29 -10.419 5.800 -8.878 73 HB3 TRP 29 2HB TRP 29 -9.773 7.294 -8.191 74 HD1 TRP 29 HD TRP 29 -6.901 5.092 -8.769 75 HE1 TRP 29 1HE TRP 29 -5.743 5.579 -10.976 76 HE3 TRP 29 3HE TRP 29 -10.508 8.011 -10.943 77 HZ2 TRP 29 2HZ TRP 29 -6.220 7.185 -13.340 78 HZ3 TRP 29 3HZ TRP 29 -10.143 8.969 -13.202 79 HH2 TRP 29 HH TRP 29 -8.007 8.565 -14.410 80 H GLN 30 H GLN 30 -10.790 4.133 -5.804 81 HA GLN 30 HA GLN 30 -11.343 6.247 -3.760 82 HB2 GLN 30 1HB GLN 30 -13.575 5.350 -3.518 83 HB3 GLN 30 2HB GLN 30 -13.279 5.828 -5.189 84 HG2 GLN 30 1HG GLN 30 -12.903 3.451 -5.813 85 HG3 GLN 30 2HG GLN 30 -13.151 2.968 -4.133 86 HE21 GLN 30 2HE2 GLN 30 -14.762 1.551 -5.334 87 HE22 GLN 30 1HE2 GLN 30 -16.389 2.218 -5.543 88 H THR 31 H THR 31 -9.388 3.663 -3.990 89 HA THR 31 HA THR 31 -10.027 2.218 -1.542 90 HB THR 31 HB THR 31 -7.396 2.526 -3.058 91 HG1 THR 31 1HG THR 31 -9.337 0.443 -3.008 92 HG21 THR 31 3HG2 THR 31 -6.846 0.349 -1.890 93 HG22 THR 31 1HG2 THR 31 -6.876 1.750 -0.821 94 HG23 THR 31 2HG2 THR 31 -8.244 0.611 -0.832 95 H THR 32 H THR 32 -9.330 2.608 0.513 96 HA THR 32 HA THR 32 -7.779 5.100 1.085 97 HB THR 32 HB THR 32 -8.971 5.259 3.204 98 HG1 THR 32 1HG THR 32 -10.814 3.835 3.468 99 HG21 THR 32 3HG2 THR 32 -11.160 5.933 2.427 100 HG22 THR 32 1HG2 THR 32 -9.967 6.371 1.192 101 HG23 THR 32 2HG2 THR 32 -11.008 4.951 0.956 102 H GLN 33 H GLN 33 -6.442 5.007 2.992 103 HA GLN 33 HA GLN 33 -4.909 2.569 3.185 104 HB2 GLN 33 1HB GLN 33 -3.636 3.815 4.932 105 HB3 GLN 33 2HB GLN 33 -3.751 4.537 3.340 106 HG2 GLN 33 1HG GLN 33 -5.614 6.047 4.273 107 HG3 GLN 33 2HG GLN 33 -5.118 5.471 5.870 108 HE21 GLN 33 2HE2 GLN 33 -3.704 7.007 6.815 109 HE22 GLN 33 1HE2 GLN 33 -2.561 7.965 5.890 110 H GLU 34 H GLU 34 -7.622 3.736 5.051 111 HA GLU 34 HA GLU 34 -7.363 1.733 7.161 112 HB2 GLU 34 1HB GLU 34 -9.775 3.288 6.136 113 HB3 GLU 34 2HB GLU 34 -9.781 2.213 7.541 114 HG2 GLU 34 1HG GLU 34 -8.029 3.616 8.620 115 HG3 GLU 34 2HG GLU 34 -8.076 4.725 7.247 116 H GLY 35 H GLY 35 -8.887 1.865 3.919 117 HA2 GLY 35 1HA GLY 35 -10.084 -0.755 3.957 118 HA3 GLY 35 2HA GLY 35 -9.670 0.221 2.526 119 H LEU 36 H LEU 36 -6.815 0.425 3.023 120 HA LEU 36 HA LEU 36 -5.824 -2.130 2.197 121 HB2 LEU 36 1HB LEU 36 -4.239 0.093 3.583 122 HB3 LEU 36 2HB LEU 36 -3.576 -1.273 2.713 123 HG LEU 36 HG LEU 36 -5.038 1.102 1.538 124 HD11 LEU 36 1HD1 LEU 36 -2.632 1.368 2.094 125 HD12 LEU 36 2HD1 LEU 36 -2.253 -0.033 1.069 126 HD13 LEU 36 3HD1 LEU 36 -2.926 1.437 0.348 127 HD21 LEU 36 3HD2 LEU 36 -4.687 0.043 -0.670 128 HD22 LEU 36 1HD2 LEU 36 -4.233 -1.474 0.142 129 HD23 LEU 36 2HD2 LEU 36 -5.872 -0.792 0.328 130 H ARG 37 H ARG 37 -5.699 -0.644 5.498 131 HA ARG 37 HA ARG 37 -4.602 -2.941 6.755 132 HB2 ARG 37 1HB ARG 37 -4.802 -0.777 7.875 133 HB3 ARG 37 2HB ARG 37 -6.567 -0.878 7.851 134 HG2 ARG 37 1HG ARG 37 -6.535 -2.828 9.350 135 HG3 ARG 37 2HG ARG 37 -4.767 -2.884 9.277 136 HD2 ARG 37 1HD ARG 37 -4.750 -0.557 10.250 137 HD3 ARG 37 2HD ARG 37 -6.510 -0.668 10.404 138 HE ARG 37 HE ARG 37 -4.842 -2.778 11.708 139 HH11 ARG 37 1HH1 ARG 37 -6.712 0.194 12.246 140 HH12 ARG 37 2HH1 ARG 37 -6.982 -0.184 13.920 141 HH21 ARG 37 1HH2 ARG 37 -5.329 -3.248 13.816 142 HH22 ARG 37 2HH2 ARG 37 -6.177 -2.086 14.811 143 H GLU 38 H GLU 38 -8.003 -2.191 6.046 144 HA GLU 38 HA GLU 38 -9.200 -4.361 7.317 145 HB2 GLU 38 1HB GLU 38 -10.131 -2.252 5.896 146 HB3 GLU 38 2HB GLU 38 -10.342 -3.503 4.666 147 HG2 GLU 38 1HG GLU 38 -11.585 -4.861 6.383 148 HG3 GLU 38 2HG GLU 38 -11.369 -3.524 7.524 149 H TYR 39 H TYR 39 -7.635 -4.313 4.118 150 HA TYR 39 HA TYR 39 -8.331 -7.119 3.541 151 HB2 TYR 39 1HB TYR 39 -8.262 -5.372 1.795 152 HB3 TYR 39 2HB TYR 39 -6.542 -5.137 2.081 153 HD1 TYR 39 2HD TYR 39 -9.086 -7.720 1.129 154 HD2 TYR 39 1HD TYR 39 -4.945 -6.528 0.960 155 HE1 TYR 39 2HE TYR 39 -8.595 -9.655 -0.345 156 HE2 TYR 39 1HE TYR 39 -4.450 -8.448 -0.530 157 HH TYR 39 HH TYR 39 -6.993 -10.831 -1.463 158 H PHE 40 H PHE 40 -5.403 -5.272 4.435 159 HA PHE 40 HA PHE 40 -3.721 -7.600 4.191 160 HB2 PHE 40 1HB PHE 40 -3.255 -4.720 4.920 161 HB3 PHE 40 2HB PHE 40 -1.980 -5.884 5.128 162 HD1 PHE 40 2HD PHE 40 -1.753 -7.616 2.976 163 HD2 PHE 40 1HD PHE 40 -3.337 -3.613 2.813 164 HE1 PHE 40 2HE PHE 40 -1.379 -7.564 0.529 165 HE2 PHE 40 1HE PHE 40 -2.978 -3.570 0.370 166 HZ PHE 40 HZ PHE 40 -2.003 -5.543 -0.784 167 H GLY 41 H GLY 41 -5.474 -6.302 6.891 168 HA2 GLY 41 1HA GLY 41 -4.062 -7.555 9.026 169 HA3 GLY 41 2HA GLY 41 -5.782 -7.131 9.007 170 H GLN 42 H GLN 42 -5.753 -9.086 6.466 171 HA GLN 42 HA GLN 42 -6.519 -11.553 7.814 172 HB2 GLN 42 1HB GLN 42 -5.853 -11.014 4.885 173 HB3 GLN 42 2HB GLN 42 -6.676 -12.439 5.519 174 HG2 GLN 42 1HG GLN 42 -8.572 -11.012 6.272 175 HG3 GLN 42 2HG GLN 42 -7.757 -9.591 5.612 176 HE21 GLN 42 2HE2 GLN 42 -7.249 -9.633 3.220 177 HE22 GLN 42 1HE2 GLN 42 -8.390 -10.474 2.172 178 H PHE 43 H PHE 43 -3.527 -10.279 6.490 179 HA PHE 43 HA PHE 43 -2.158 -12.921 6.577 180 HB2 PHE 43 1HB PHE 43 -1.190 -10.235 5.522 181 HB3 PHE 43 2HB PHE 43 -0.435 -11.796 5.278 182 HD1 PHE 43 2HD PHE 43 -1.454 -13.458 3.711 183 HD2 PHE 43 1HD PHE 43 -3.188 -9.578 4.269 184 HE1 PHE 43 2HE PHE 43 -2.797 -13.768 1.646 185 HE2 PHE 43 1HE PHE 43 -4.535 -9.864 2.206 186 HZ PHE 43 HZ PHE 43 -4.347 -11.971 0.895 187 H GLY 44 H GLY 44 -2.057 -9.678 8.013 188 HA2 GLY 44 1HA GLY 44 -1.211 -10.530 10.570 189 HA3 GLY 44 2HA GLY 44 0.212 -9.939 9.723 190 H GLU 45 H GLU 45 -1.062 -8.710 12.071 191 HA GLU 45 HA GLU 45 -2.588 -6.421 11.299 192 HB2 GLU 45 1HB GLU 45 -2.490 -7.278 13.609 193 HB3 GLU 45 2HB GLU 45 -0.789 -6.823 13.720 194 HG2 GLU 45 1HG GLU 45 -2.257 -5.213 14.846 195 HG3 GLU 45 2HG GLU 45 -1.363 -4.451 13.541 196 H VAL 46 H VAL 46 -1.979 -4.246 11.021 197 HA VAL 46 HA VAL 46 0.659 -4.036 9.689 198 HB VAL 46 HB VAL 46 -0.204 -2.351 8.315 199 HG11 VAL 46 1HG1 VAL 46 -0.708 -4.707 7.686 200 HG12 VAL 46 2HG1 VAL 46 -2.307 -4.552 8.449 201 HG13 VAL 46 3HG1 VAL 46 -1.894 -3.558 7.046 202 HG21 VAL 46 3HG2 VAL 46 -2.597 -1.655 8.335 203 HG22 VAL 46 1HG2 VAL 46 -2.720 -2.372 9.962 204 HG23 VAL 46 2HG2 VAL 46 -1.616 -1.013 9.659 205 H LYS 47 H LYS 47 2.121 -2.655 10.204 206 HA LYS 47 HA LYS 47 2.036 -1.169 12.748 207 HB2 LYS 47 1HB LYS 47 3.904 -2.675 11.998 208 HB3 LYS 47 2HB LYS 47 4.233 -1.576 10.660 209 HG2 LYS 47 1HG LYS 47 4.854 0.207 12.224 210 HG3 LYS 47 2HG LYS 47 4.345 -0.792 13.599 211 HD2 LYS 47 1HD LYS 47 6.101 -2.470 13.001 212 HD3 LYS 47 2HD LYS 47 6.627 -1.416 11.669 213 HE2 LYS 47 1HE LYS 47 7.101 0.400 13.313 214 HE3 LYS 47 2HE LYS 47 6.572 -0.655 14.630 215 HZ1 LYS 47 3HZ LYS 47 8.982 -0.672 14.397 216 HZ2 LYS 47 1HZ LYS 47 8.401 -2.161 14.072 217 HZ3 LYS 47 2HZ LYS 47 8.890 -1.187 12.851 218 H GLU 48 H GLU 48 1.741 -0.517 9.350 219 HA GLU 48 HA GLU 48 1.057 2.278 9.681 220 HB2 GLU 48 1HB GLU 48 3.517 2.471 9.750 221 HB3 GLU 48 2HB GLU 48 3.655 1.516 8.278 222 HG2 GLU 48 1HG GLU 48 2.594 3.284 6.965 223 HG3 GLU 48 2HG GLU 48 2.296 4.226 8.433 224 H CYS 49 H CYS 49 -0.098 2.988 7.855 225 HA CYS 49 HA CYS 49 0.008 1.485 5.351 226 HB2 CYS 49 1HB CYS 49 -2.450 1.175 5.241 227 HB3 CYS 49 2HB CYS 49 -1.709 0.228 6.535 228 HG CYS 49 HG CYS 49 -4.197 1.498 6.932 229 H LEU 50 H LEU 50 -0.525 2.696 3.578 230 HA LEU 50 HA LEU 50 -1.258 5.559 3.902 231 HB2 LEU 50 1HB LEU 50 1.321 4.429 2.784 232 HB3 LEU 50 2HB LEU 50 0.757 6.040 2.394 233 HG LEU 50 HG LEU 50 1.490 5.109 5.197 234 HD11 LEU 50 1HD1 LEU 50 3.428 5.205 3.680 235 HD12 LEU 50 2HD1 LEU 50 2.983 6.848 3.170 236 HD13 LEU 50 3HD1 LEU 50 3.492 6.535 4.846 237 HD21 LEU 50 3HD2 LEU 50 1.421 7.551 5.720 238 HD22 LEU 50 1HD2 LEU 50 0.798 7.877 4.088 239 HD23 LEU 50 2HD2 LEU 50 -0.171 6.947 5.253 240 H VAL 51 H VAL 51 -2.206 6.447 2.141 241 HA VAL 51 HA VAL 51 -1.980 5.079 -0.521 242 HB VAL 51 HB VAL 51 -4.518 6.236 0.702 243 HG11 VAL 51 1HG1 VAL 51 -4.381 7.079 -1.603 244 HG12 VAL 51 2HG1 VAL 51 -3.981 5.453 -2.201 245 HG13 VAL 51 3HG1 VAL 51 -5.583 5.797 -1.514 246 HG21 VAL 51 3HG2 VAL 51 -5.460 4.021 0.106 247 HG22 VAL 51 1HG2 VAL 51 -3.881 3.509 -0.522 248 HG23 VAL 51 2HG2 VAL 51 -4.091 3.846 1.209 249 H MET 52 H MET 52 -1.243 6.364 -2.042 250 HA MET 52 HA MET 52 -0.363 9.065 -1.263 251 HB2 MET 52 1HB MET 52 0.318 7.192 -3.552 252 HB3 MET 52 2HB MET 52 1.048 8.790 -3.345 253 HG2 MET 52 1HG MET 52 1.216 6.629 -1.206 254 HG3 MET 52 2HG MET 52 2.414 6.887 -2.458 255 HE1 MET 52 3HE MET 52 2.097 9.069 1.468 256 HE2 MET 52 1HE MET 52 0.632 8.487 0.648 257 HE3 MET 52 2HE MET 52 1.931 7.346 1.069 258 H ARG 53 H ARG 53 -3.056 9.155 -1.571 259 HA ARG 53 HA ARG 53 -3.836 9.849 -4.237 260 HB2 ARG 53 1HB ARG 53 -5.996 10.466 -3.318 261 HB3 ARG 53 2HB ARG 53 -5.463 8.906 -2.703 262 HG2 ARG 53 1HG ARG 53 -4.787 9.989 -0.555 263 HG3 ARG 53 2HG ARG 53 -5.372 11.549 -1.180 264 HD2 ARG 53 1HD ARG 53 -7.638 10.589 -1.456 265 HD3 ARG 53 2HD ARG 53 -7.057 9.035 -0.818 266 HE ARG 53 HE ARG 53 -6.410 11.035 1.073 267 HH11 ARG 53 1HH1 ARG 53 -9.359 9.542 -0.195 268 HH12 ARG 53 2HH1 ARG 53 -10.249 9.848 1.265 269 HH21 ARG 53 1HH2 ARG 53 -7.617 11.393 2.928 270 HH22 ARG 53 2HH2 ARG 53 -9.273 10.876 3.009 271 H ASP 54 H ASP 54 -4.322 11.712 -5.213 272 HA ASP 54 HA ASP 54 -2.797 14.078 -4.390 273 HB2 ASP 54 1HB ASP 54 -4.477 13.366 -6.819 274 HB3 ASP 54 2HB ASP 54 -3.751 14.951 -6.603 275 HA PRO 55 HA PRO 55 -6.368 15.900 -2.404 276 HB2 PRO 55 1HB PRO 55 -5.483 18.433 -1.898 277 HB3 PRO 55 2HB PRO 55 -4.819 16.992 -1.069 278 HG2 PRO 55 1HG PRO 55 -3.691 18.417 -3.506 279 HG3 PRO 55 2HG PRO 55 -2.831 17.958 -2.000 280 HD2 PRO 55 1HD PRO 55 -2.746 16.397 -4.231 281 HD3 PRO 55 2HD PRO 55 -2.812 15.673 -2.596 282 H LEU 56 H LEU 56 -5.171 17.048 -5.471 283 HA LEU 56 HA LEU 56 -7.129 19.125 -5.929 284 HB2 LEU 56 1HB LEU 56 -5.314 17.517 -7.788 285 HB3 LEU 56 2HB LEU 56 -6.240 18.923 -8.272 286 HG LEU 56 HG LEU 56 -3.985 18.907 -6.210 287 HD11 LEU 56 1HD1 LEU 56 -3.220 18.551 -8.529 288 HD12 LEU 56 2HD1 LEU 56 -4.093 20.010 -9.051 289 HD13 LEU 56 3HD1 LEU 56 -2.723 20.141 -7.926 290 HD21 LEU 56 3HD2 LEU 56 -4.131 21.397 -6.356 291 HD22 LEU 56 1HD2 LEU 56 -5.612 21.239 -7.325 292 HD23 LEU 56 2HD2 LEU 56 -5.574 20.683 -5.635 293 H THR 57 H THR 57 -7.069 15.697 -6.586 294 HA THR 57 HA THR 57 -9.834 15.778 -7.747 295 HB THR 57 HB THR 57 -9.159 14.076 -9.395 296 HG1 THR 57 1HG THR 57 -6.502 14.693 -8.578 297 HG21 THR 57 3HG2 THR 57 -7.984 15.491 -10.944 298 HG22 THR 57 1HG2 THR 57 -9.130 16.485 -10.032 299 HG23 THR 57 2HG2 THR 57 -7.397 16.548 -9.643 300 H LYS 58 H LYS 58 -7.920 14.454 -5.358 301 HA LYS 58 HA LYS 58 -8.084 12.807 -3.866 302 HB2 LYS 58 1HB LYS 58 -10.990 12.871 -4.737 303 HB3 LYS 58 2HB LYS 58 -10.405 11.753 -3.522 304 HG2 LYS 58 1HG LYS 58 -11.338 13.667 -2.445 305 HG3 LYS 58 2HG LYS 58 -9.613 13.568 -2.100 306 HD2 LYS 58 1HD LYS 58 -9.151 15.411 -3.637 307 HD3 LYS 58 2HD LYS 58 -10.848 15.430 -4.178 308 HE2 LYS 58 1HE LYS 58 -11.552 16.023 -1.867 309 HE3 LYS 58 2HE LYS 58 -9.865 15.969 -1.336 310 HZ1 LYS 58 3HZ LYS 58 -10.536 18.236 -1.810 311 HZ2 LYS 58 1HZ LYS 58 -9.391 17.788 -2.893 312 HZ3 LYS 58 2HZ LYS 58 -10.966 17.859 -3.341 313 H ARG 59 H ARG 59 -7.698 12.146 -6.931 314 HA ARG 59 HA ARG 59 -8.169 9.279 -7.122 315 HB2 ARG 59 1HB ARG 59 -6.351 11.162 -8.670 316 HB3 ARG 59 2HB ARG 59 -6.596 9.453 -9.062 317 HG2 ARG 59 1HG ARG 59 -9.019 9.837 -9.370 318 HG3 ARG 59 2HG ARG 59 -8.813 11.556 -9.016 319 HD2 ARG 59 1HD ARG 59 -7.453 10.073 -11.299 320 HD3 ARG 59 2HD ARG 59 -8.930 11.044 -11.457 321 HE ARG 59 HE ARG 59 -7.141 12.773 -10.263 322 HH11 ARG 59 1HH1 ARG 59 -7.083 10.972 -13.309 323 HH12 ARG 59 2HH1 ARG 59 -6.046 12.136 -14.082 324 HH21 ARG 59 1HH2 ARG 59 -5.797 14.202 -11.288 325 HH22 ARG 59 2HH2 ARG 59 -5.331 13.957 -12.947 326 H SER 60 H SER 60 -6.974 7.642 -6.475 327 HA SER 60 HA SER 60 -4.738 7.977 -4.643 328 HB2 SER 60 1HB SER 60 -4.955 5.599 -4.373 329 HB3 SER 60 2HB SER 60 -6.598 6.271 -4.509 330 HG SER 60 HG SER 60 -6.506 4.518 -5.848 331 H ARG 61 H ARG 61 -4.831 7.878 -8.013 332 HA ARG 61 HA ARG 61 -3.426 7.388 -9.718 333 HB2 ARG 61 1HB ARG 61 -1.137 7.243 -7.729 334 HB3 ARG 61 2HB ARG 61 -1.027 7.434 -9.478 335 HG2 ARG 61 1HG ARG 61 -2.180 9.688 -9.195 336 HG3 ARG 61 2HG ARG 61 -2.020 9.443 -7.439 337 HD2 ARG 61 1HD ARG 61 0.524 8.888 -8.137 338 HD3 ARG 61 2HD ARG 61 0.119 9.896 -9.523 339 HE ARG 61 HE ARG 61 -0.757 11.457 -7.542 340 HH11 ARG 61 1HH1 ARG 61 2.350 9.717 -7.609 341 HH12 ARG 61 2HH1 ARG 61 3.113 10.882 -6.585 342 HH21 ARG 61 1HH2 ARG 61 0.299 12.948 -6.342 343 HH22 ARG 61 2HH2 ARG 61 1.967 12.709 -5.865 344 H GLY 62 H GLY 62 -4.471 5.214 -7.654 345 HA2 GLY 62 1HA GLY 62 -4.675 2.945 -7.722 346 HA3 GLY 62 2HA GLY 62 -3.594 2.881 -9.129 347 H PHE 63 H PHE 63 -2.402 4.403 -6.109 348 HA PHE 63 HA PHE 63 -1.257 1.866 -5.263 349 HB2 PHE 63 1HB PHE 63 0.957 2.178 -5.681 350 HB3 PHE 63 2HB PHE 63 0.264 2.870 -7.125 351 HD1 PHE 63 2HD PHE 63 -0.119 5.490 -7.066 352 HD2 PHE 63 1HD PHE 63 2.492 3.390 -4.375 353 HE1 PHE 63 2HE PHE 63 1.066 7.635 -6.537 354 HE2 PHE 63 1HE PHE 63 3.775 5.474 -3.991 355 HZ PHE 63 HZ PHE 63 3.049 7.594 -5.018 356 H GLY 64 H GLY 64 -0.043 1.802 -3.409 357 HA2 GLY 64 1HA GLY 64 0.119 4.067 -1.538 358 HA3 GLY 64 2HA GLY 64 -1.008 2.800 -1.079 359 H PHE 65 H PHE 65 0.363 2.541 0.783 360 HA PHE 65 HA PHE 65 2.548 0.578 0.405 361 HB2 PHE 65 1HB PHE 65 2.840 3.256 1.816 362 HB3 PHE 65 2HB PHE 65 3.865 1.895 2.176 363 HD1 PHE 65 2HD PHE 65 3.056 4.471 -0.387 364 HD2 PHE 65 1HD PHE 65 5.595 1.144 0.696 365 HE1 PHE 65 2HE PHE 65 4.730 5.189 -2.054 366 HE2 PHE 65 1HE PHE 65 7.252 1.872 -0.979 367 HZ PHE 65 HZ PHE 65 6.822 3.906 -2.371 368 H VAL 66 H VAL 66 2.851 -0.784 2.175 369 HA VAL 66 HA VAL 66 1.355 -0.277 4.697 370 HB VAL 66 HB VAL 66 1.046 -2.836 3.077 371 HG11 VAL 66 1HG1 VAL 66 1.277 -3.480 5.435 372 HG12 VAL 66 2HG1 VAL 66 0.083 -2.248 5.906 373 HG13 VAL 66 3HG1 VAL 66 -0.400 -3.652 4.930 374 HG21 VAL 66 3HG2 VAL 66 -1.379 -2.344 3.221 375 HG22 VAL 66 1HG2 VAL 66 -1.030 -0.826 4.071 376 HG23 VAL 66 2HG2 VAL 66 -0.523 -1.055 2.386 377 H THR 67 H THR 67 2.427 -0.878 6.458 378 HA THR 67 HA THR 67 4.860 -2.628 6.271 379 HB THR 67 HB THR 67 4.285 -0.595 8.454 380 HG1 THR 67 1HG THR 67 5.660 0.769 7.352 381 HG21 THR 67 3HG2 THR 67 6.742 -0.808 8.833 382 HG22 THR 67 1HG2 THR 67 5.907 -2.348 9.069 383 HG23 THR 67 2HG2 THR 67 6.817 -2.060 7.576 384 H PHE 68 H PHE 68 4.921 -4.361 7.656 385 HA PHE 68 HA PHE 68 2.412 -4.984 9.145 386 HB2 PHE 68 1HB PHE 68 4.574 -6.744 7.954 387 HB3 PHE 68 2HB PHE 68 3.264 -7.328 8.969 388 HD1 PHE 68 1HD PHE 68 4.028 -5.744 5.677 389 HD2 PHE 68 2HD PHE 68 1.013 -7.579 8.152 390 HE1 PHE 68 1HE PHE 68 2.534 -5.944 3.707 391 HE2 PHE 68 2HE PHE 68 -0.474 -7.788 6.181 392 HZ PHE 68 HZ PHE 68 0.286 -6.964 3.956 393 H MET 69 H MET 69 2.476 -5.790 11.248 394 HA MET 69 HA MET 69 4.637 -4.868 12.958 395 HB2 MET 69 1HB MET 69 2.249 -6.665 13.565 396 HB3 MET 69 2HB MET 69 3.356 -5.975 14.756 397 HG2 MET 69 1HG MET 69 2.752 -3.675 13.712 398 HG3 MET 69 2HG MET 69 1.411 -4.518 12.950 399 HE1 MET 69 3HE MET 69 1.932 -3.562 17.435 400 HE2 MET 69 1HE MET 69 3.096 -4.604 16.596 401 HE3 MET 69 2HE MET 69 2.896 -2.909 16.094 402 H ASP 70 H ASP 70 4.377 -7.656 11.093 403 HA ASP 70 HA ASP 70 6.948 -8.576 12.077 404 HB2 ASP 70 1HB ASP 70 5.170 -9.857 13.448 405 HB3 ASP 70 2HB ASP 70 4.740 -10.648 11.926 406 H GLN 71 H GLN 71 8.023 -9.925 10.575 407 HA GLN 71 HA GLN 71 7.569 -9.382 7.800 408 HB2 GLN 71 1HB GLN 71 9.754 -9.859 8.974 409 HB3 GLN 71 2HB GLN 71 9.242 -11.530 9.165 410 HG2 GLN 71 1HG GLN 71 10.795 -11.326 7.290 411 HG3 GLN 71 2HG GLN 71 9.220 -11.821 6.700 412 HE21 GLN 71 2HE2 GLN 71 10.103 -11.046 4.566 413 HE22 GLN 71 1HE2 GLN 71 10.016 -9.328 4.220 414 H ALA 72 H ALA 72 6.440 -12.000 9.891 415 HA ALA 72 HA ALA 72 5.866 -13.980 7.976 416 HB1 ALA 72 1HB ALA 72 5.799 -14.298 10.428 417 HB2 ALA 72 2HB ALA 72 4.354 -13.261 10.529 418 HB3 ALA 72 3HB ALA 72 4.280 -14.818 9.673 419 H GLY 73 H GLY 73 4.096 -10.959 8.501 420 HA2 GLY 73 1HA GLY 73 1.800 -11.834 6.875 421 HA3 GLY 73 2HA GLY 73 2.124 -10.184 7.442 422 H VAL 74 H VAL 74 4.843 -10.132 6.328 423 HA VAL 74 HA VAL 74 4.265 -9.237 3.620 424 HB VAL 74 HB VAL 74 6.907 -9.698 5.063 425 HG11 VAL 74 1HG1 VAL 74 7.408 -9.994 2.719 426 HG12 VAL 74 2HG1 VAL 74 6.470 -8.551 2.281 427 HG13 VAL 74 3HG1 VAL 74 7.969 -8.399 3.217 428 HG21 VAL 74 3HG2 VAL 74 7.023 -7.236 5.069 429 HG22 VAL 74 1HG2 VAL 74 5.426 -7.157 4.304 430 HG23 VAL 74 2HG2 VAL 74 5.606 -7.822 5.945 431 H ASP 75 H ASP 75 5.955 -12.086 5.037 432 HA ASP 75 HA ASP 75 6.667 -13.455 2.725 433 HB2 ASP 75 1HB ASP 75 7.203 -14.050 5.114 434 HB3 ASP 75 2HB ASP 75 5.568 -14.654 5.306 435 H LYS 76 H LYS 76 3.485 -13.636 4.396 436 HA LYS 76 HA LYS 76 2.326 -15.559 2.611 437 HB2 LYS 76 1HB LYS 76 1.053 -13.417 4.353 438 HB3 LYS 76 2HB LYS 76 0.190 -14.763 3.572 439 HG2 LYS 76 1HG LYS 76 1.203 -16.405 4.935 440 HG3 LYS 76 2HG LYS 76 2.431 -15.282 5.540 441 HD2 LYS 76 1HD LYS 76 0.588 -13.883 6.543 442 HD3 LYS 76 2HD LYS 76 -0.589 -15.114 6.035 443 HE2 LYS 76 1HE LYS 76 0.572 -16.785 7.436 444 HE3 LYS 76 2HE LYS 76 1.783 -15.568 7.886 445 HZ1 LYS 76 3HZ LYS 76 0.127 -15.711 9.613 446 HZ2 LYS 76 1HZ LYS 76 -0.059 -14.258 8.869 447 HZ3 LYS 76 2HZ LYS 76 -1.104 -15.479 8.563 448 H VAL 77 H VAL 77 2.391 -11.998 2.479 449 HA VAL 77 HA VAL 77 0.459 -11.805 0.338 450 HB VAL 77 HB VAL 77 2.517 -9.804 1.318 451 HG11 VAL 77 1HG1 VAL 77 1.927 -9.173 -0.995 452 HG12 VAL 77 2HG1 VAL 77 0.200 -9.325 -0.609 453 HG13 VAL 77 3HG1 VAL 77 1.185 -8.060 0.153 454 HG21 VAL 77 3HG2 VAL 77 0.582 -8.741 2.412 455 HG22 VAL 77 1HG2 VAL 77 -0.529 -9.910 1.671 456 HG23 VAL 77 2HG2 VAL 77 0.616 -10.439 2.902 457 H LEU 78 H LEU 78 4.009 -12.195 0.394 458 HA LEU 78 HA LEU 78 4.336 -11.927 -2.497 459 HB2 LEU 78 1HB LEU 78 6.060 -13.294 -0.398 460 HB3 LEU 78 2HB LEU 78 6.581 -12.823 -2.011 461 HG LEU 78 HG LEU 78 5.645 -10.822 0.097 462 HD11 LEU 78 1HD1 LEU 78 7.521 -12.098 0.902 463 HD12 LEU 78 2HD1 LEU 78 8.419 -11.838 -0.610 464 HD13 LEU 78 3HD1 LEU 78 8.076 -10.459 0.471 465 HD21 LEU 78 3HD2 LEU 78 6.840 -9.186 -1.305 466 HD22 LEU 78 1HD2 LEU 78 7.150 -10.446 -2.522 467 HD23 LEU 78 2HD2 LEU 78 5.480 -9.928 -2.157 468 H ALA 79 H ALA 79 3.974 -14.651 -0.226 469 HA ALA 79 HA ALA 79 4.410 -16.694 -2.124 470 HB1 ALA 79 1HB ALA 79 4.636 -16.975 0.313 471 HB2 ALA 79 2HB ALA 79 2.879 -16.777 0.515 472 HB3 ALA 79 3HB ALA 79 3.526 -18.183 -0.355 473 H GLN 80 H GLN 80 1.521 -14.816 -1.637 474 HA GLN 80 HA GLN 80 -0.215 -16.749 -3.065 475 HB2 GLN 80 1HB GLN 80 -1.041 -15.667 -1.025 476 HB3 GLN 80 2HB GLN 80 -0.811 -14.070 -1.744 477 HG2 GLN 80 1HG GLN 80 -2.492 -14.546 -3.455 478 HG3 GLN 80 2HG GLN 80 -2.644 -16.218 -2.913 479 HE21 GLN 80 2HE2 GLN 80 -4.421 -13.532 -2.933 480 HE22 GLN 80 1HE2 GLN 80 -5.231 -13.711 -1.374 481 H SER 81 H SER 81 -0.816 -16.520 -5.183 482 HA SER 81 HA SER 81 0.823 -14.809 -6.800 483 HB2 SER 81 1HB SER 81 -1.425 -16.659 -7.652 484 HB3 SER 81 2HB SER 81 -0.095 -16.058 -8.655 485 HG SER 81 HG SER 81 0.302 -18.196 -7.887 486 H ARG 82 H ARG 82 -2.257 -14.076 -5.525 487 HA ARG 82 HA ARG 82 -2.659 -11.788 -7.286 488 HB2 ARG 82 1HB ARG 82 -3.528 -13.727 -8.631 489 HB3 ARG 82 2HB ARG 82 -4.690 -14.066 -7.349 490 HG2 ARG 82 1HG ARG 82 -5.766 -11.880 -7.706 491 HG3 ARG 82 2HG ARG 82 -4.536 -11.430 -8.898 492 HD2 ARG 82 1HD ARG 82 -6.433 -13.800 -9.155 493 HD3 ARG 82 2HD ARG 82 -6.733 -12.198 -9.854 494 HE ARG 82 HE ARG 82 -4.210 -12.936 -10.783 495 HH11 ARG 82 1HH1 ARG 82 -7.483 -14.228 -11.153 496 HH12 ARG 82 2HH1 ARG 82 -7.127 -14.931 -12.703 497 HH21 ARG 82 1HH2 ARG 82 -3.816 -13.872 -12.780 498 HH22 ARG 82 2HH2 ARG 82 -5.082 -14.725 -13.611 499 H HIS 83 H HIS 83 -4.122 -10.295 -6.470 500 HA HIS 83 HA HIS 83 -5.578 -10.827 -3.935 501 HB2 HIS 83 1HB HIS 83 -3.428 -8.729 -4.412 502 HB3 HIS 83 2HB HIS 83 -4.539 -8.695 -3.040 503 HD1 HIS 83 1HD HIS 83 -4.177 -10.720 -1.204 504 HD2 HIS 83 2HD HIS 83 -1.295 -10.266 -4.230 505 HE1 HIS 83 1HE HIS 83 -2.103 -12.009 -0.429 506 H GLU 84 H GLU 84 -7.187 -9.123 -3.452 507 HA GLU 84 HA GLU 84 -7.911 -7.270 -5.623 508 HB2 GLU 84 1HB GLU 84 -8.767 -9.577 -6.265 509 HB3 GLU 84 2HB GLU 84 -9.802 -9.512 -4.835 510 HG2 GLU 84 1HG GLU 84 -10.796 -7.362 -5.772 511 HG3 GLU 84 2HG GLU 84 -9.833 -7.623 -7.231 512 H LEU 85 H LEU 85 -8.897 -5.533 -4.882 513 HA LEU 85 HA LEU 85 -10.422 -5.476 -2.355 514 HB2 LEU 85 1HB LEU 85 -8.119 -5.163 -1.610 515 HB3 LEU 85 2HB LEU 85 -7.830 -3.960 -2.868 516 HG LEU 85 HG LEU 85 -9.392 -2.392 -1.771 517 HD11 LEU 85 1HD1 LEU 85 -10.973 -3.876 -0.653 518 HD12 LEU 85 2HD1 LEU 85 -9.679 -4.592 0.321 519 HD13 LEU 85 3HD1 LEU 85 -10.157 -2.904 0.579 520 HD21 LEU 85 3HD2 LEU 85 -7.980 -1.904 0.176 521 HD22 LEU 85 1HD2 LEU 85 -7.273 -3.533 0.101 522 HD23 LEU 85 2HD2 LEU 85 -6.991 -2.376 -1.217 523 H ASP 86 H ASP 86 -12.064 -4.018 -2.499 524 HA ASP 86 HA ASP 86 -13.655 -2.774 -3.492 525 HB2 ASP 86 1HB ASP 86 -11.931 -0.993 -3.060 526 HB3 ASP 86 2HB ASP 86 -11.414 -1.142 -4.739 527 H SER 87 H SER 87 -12.829 -5.152 -4.820 528 HA SER 87 HA SER 87 -13.133 -6.395 -6.686 529 HB2 SER 87 1HB SER 87 -14.734 -4.088 -7.832 530 HB3 SER 87 2HB SER 87 -14.735 -5.772 -8.359 531 HG SER 87 HG SER 87 -15.563 -4.828 -5.795 532 H LYS 88 H LYS 88 -10.840 -4.327 -6.531 533 HA LYS 88 HA LYS 88 -10.047 -4.311 -9.419 534 HB2 LYS 88 1HB LYS 88 -9.351 -2.469 -7.094 535 HB3 LYS 88 2HB LYS 88 -8.468 -2.466 -8.607 536 HG2 LYS 88 1HG LYS 88 -11.462 -2.205 -8.742 537 HG3 LYS 88 2HG LYS 88 -10.533 -0.833 -8.132 538 HD2 LYS 88 1HD LYS 88 -9.225 -0.741 -10.212 539 HD3 LYS 88 2HD LYS 88 -10.055 -2.187 -10.807 540 HE2 LYS 88 1HE LYS 88 -11.091 -0.231 -11.823 541 HE3 LYS 88 2HE LYS 88 -12.234 -0.980 -10.708 542 HZ1 LYS 88 3HZ LYS 88 -12.251 1.395 -10.410 543 HZ2 LYS 88 1HZ LYS 88 -11.589 0.762 -9.058 544 HZ3 LYS 88 2HZ LYS 88 -10.640 1.477 -10.183 545 H THR 89 H THR 89 -8.214 -5.273 -9.959 546 HA THR 89 HA THR 89 -7.111 -7.257 -8.101 547 HB THR 89 HB THR 89 -6.233 -6.678 -10.952 548 HG1 THR 89 1HG THR 89 -7.748 -8.297 -11.452 549 HG21 THR 89 3HG2 THR 89 -5.548 -9.069 -10.887 550 HG22 THR 89 1HG2 THR 89 -4.681 -8.134 -9.661 551 HG23 THR 89 2HG2 THR 89 -6.042 -9.169 -9.182 552 H ILE 90 H ILE 90 -5.494 -6.861 -6.721 553 HA ILE 90 HA ILE 90 -3.712 -4.525 -7.266 554 HB ILE 90 HB ILE 90 -3.341 -4.276 -4.935 555 HG12 ILE 90 1HG1 ILE 90 -5.145 -6.638 -4.378 556 HG13 ILE 90 2HG1 ILE 90 -3.387 -6.555 -4.154 557 HG21 ILE 90 1HG2 ILE 90 -5.381 -3.254 -6.013 558 HG22 ILE 90 2HG2 ILE 90 -6.342 -4.630 -5.438 559 HG23 ILE 90 3HG2 ILE 90 -5.615 -3.526 -4.286 560 HD11 ILE 90 3HD1 ILE 90 -4.294 -6.183 -2.009 561 HD12 ILE 90 1HD1 ILE 90 -3.780 -4.577 -2.592 562 HD13 ILE 90 2HD1 ILE 90 -5.499 -5.037 -2.616 563 H ASP 91 H ASP 91 -1.540 -4.597 -6.900 564 HA ASP 91 HA ASP 91 -0.261 -7.303 -7.058 565 HB2 ASP 91 1HB ASP 91 -0.628 -6.363 -9.289 566 HB3 ASP 91 2HB ASP 91 0.223 -4.892 -8.818 567 HA PRO 92 HA PRO 92 1.881 -4.669 -3.925 568 HB2 PRO 92 1HB PRO 92 1.638 -6.312 -1.732 569 HB3 PRO 92 2HB PRO 92 0.396 -5.143 -2.258 570 HG2 PRO 92 1HG PRO 92 0.453 -8.117 -2.737 571 HG3 PRO 92 2HG PRO 92 -0.949 -7.050 -2.331 572 HD2 PRO 92 1HD PRO 92 -0.368 -7.912 -4.871 573 HD3 PRO 92 2HD PRO 92 -1.221 -6.393 -4.467 574 H LYS 93 H LYS 93 3.941 -4.839 -3.105 575 HA LYS 93 HA LYS 93 5.609 -7.224 -3.471 576 HB2 LYS 93 1HB LYS 93 7.016 -6.145 -5.231 577 HB3 LYS 93 2HB LYS 93 5.381 -6.517 -5.771 578 HG2 LYS 93 1HG LYS 93 4.709 -4.165 -5.473 579 HG3 LYS 93 2HG LYS 93 6.309 -3.760 -4.842 580 HD2 LYS 93 1HD LYS 93 6.184 -3.025 -7.132 581 HD3 LYS 93 2HD LYS 93 7.312 -4.375 -7.028 582 HE2 LYS 93 1HE LYS 93 5.990 -4.685 -9.009 583 HE3 LYS 93 2HE LYS 93 5.505 -5.917 -7.845 584 HZ1 LYS 93 3HZ LYS 93 3.576 -4.947 -8.860 585 HZ2 LYS 93 1HZ LYS 93 3.560 -4.495 -7.305 586 HZ3 LYS 93 2HZ LYS 93 4.004 -3.422 -8.475 587 H VAL 94 H VAL 94 7.948 -6.733 -2.997 588 HA VAL 94 HA VAL 94 8.110 -5.486 -0.434 589 HB VAL 94 HB VAL 94 10.405 -6.294 -2.267 590 HG11 VAL 94 1HG1 VAL 94 11.250 -4.814 -0.501 591 HG12 VAL 94 2HG1 VAL 94 10.362 -5.734 0.737 592 HG13 VAL 94 3HG1 VAL 94 11.719 -6.474 -0.141 593 HG21 VAL 94 3HG2 VAL 94 10.454 -8.358 -0.846 594 HG22 VAL 94 1HG2 VAL 94 8.958 -7.820 -0.051 595 HG23 VAL 94 2HG2 VAL 94 8.971 -8.219 -1.786 596 H ALA 95 H ALA 95 8.795 -3.528 0.286 597 HA ALA 95 HA ALA 95 8.694 -1.345 -1.638 598 HB1 ALA 95 1HB ALA 95 7.468 -1.230 0.477 599 HB2 ALA 95 2HB ALA 95 8.987 -1.376 1.392 600 HB3 ALA 95 3HB ALA 95 8.673 0.062 0.402 601 H PHE 96 H PHE 96 10.203 0.088 -2.210 602 HA PHE 96 HA PHE 96 13.021 -0.223 -1.953 603 HB2 PHE 96 1HB PHE 96 11.303 2.249 -2.457 604 HB3 PHE 96 2HB PHE 96 13.021 2.191 -2.728 605 HD1 PHE 96 1HD PHE 96 12.493 -0.907 -3.991 606 HD2 PHE 96 2HD PHE 96 11.266 3.160 -4.776 607 HE1 PHE 96 1HE PHE 96 12.104 -1.475 -6.359 608 HE2 PHE 96 2HE PHE 96 10.883 2.579 -7.152 609 HZ PHE 96 HZ PHE 96 11.294 0.256 -7.951 610 HA PRO 97 HA PRO 97 14.066 1.246 2.053 611 HB2 PRO 97 1HB PRO 97 16.236 2.948 1.655 612 HB3 PRO 97 2HB PRO 97 16.290 1.160 1.614 613 HG2 PRO 97 1HG PRO 97 15.995 3.074 -0.721 614 HG3 PRO 97 2HG PRO 97 17.118 1.682 -0.562 615 HD2 PRO 97 1HD PRO 97 14.834 1.402 -1.919 616 HD3 PRO 97 2HD PRO 97 15.333 0.114 -0.790 617 H ARG 98 H ARG 98 14.365 3.105 3.482 618 HA ARG 98 HA ARG 98 12.685 5.432 2.747 619 HB2 ARG 98 1HB ARG 98 11.187 5.017 4.489 620 HB3 ARG 98 2HB ARG 98 11.362 3.496 3.648 621 HG2 ARG 98 1HG ARG 98 12.623 4.220 6.331 622 HG3 ARG 98 2HG ARG 98 11.167 3.280 6.073 623 HD2 ARG 98 1HD ARG 98 12.683 1.618 6.485 624 HD3 ARG 98 2HD ARG 98 12.652 1.641 4.716 625 HE ARG 98 HE ARG 98 14.709 3.381 5.830 626 HH11 ARG 98 1HH1 ARG 98 14.114 -0.040 5.115 627 HH12 ARG 98 2HH1 ARG 98 15.810 -0.402 5.025 628 HH21 ARG 98 1HH2 ARG 98 16.865 2.825 5.767 629 HH22 ARG 98 2HH2 ARG 98 17.346 1.201 5.386 630 H ARG 99 H ARG 99 12.651 7.160 4.292 631 HA ARG 99 HA ARG 99 14.819 7.315 6.319 632 HB2 ARG 99 1HB ARG 99 14.368 9.343 4.082 633 HB3 ARG 99 2HB ARG 99 15.373 9.634 5.497 634 HG2 ARG 99 1HG ARG 99 15.897 7.505 3.378 635 HG3 ARG 99 2HG ARG 99 16.691 9.072 3.502 636 HD2 ARG 99 1HD ARG 99 17.595 8.461 5.729 637 HD3 ARG 99 2HD ARG 99 16.861 6.863 5.607 638 HE ARG 99 HE ARG 99 19.240 7.864 4.225 639 HH11 ARG 99 1HH1 ARG 99 16.810 5.280 4.166 640 HH12 ARG 99 2HH1 ARG 99 17.849 4.226 3.240 641 HH21 ARG 99 1HH2 ARG 99 20.502 6.453 3.048 642 HH22 ARG 99 2HH2 ARG 99 19.904 4.879 2.627 643 H ALA 100 H ALA 100 14.295 8.509 8.076 644 HA ALA 100 HA ALA 100 11.961 10.249 8.275 645 HB1 ALA 100 1HB ALA 100 10.891 8.003 8.248 646 HB2 ALA 100 2HB ALA 100 11.932 7.487 9.592 647 HB3 ALA 100 3HB ALA 100 10.721 8.765 9.832 648 H GLN 101 H GLN 101 11.568 10.768 10.715 649 HA GLN 101 HA GLN 101 13.973 10.673 12.388 650 HB2 GLN 101 1HB GLN 101 13.951 13.121 12.638 651 HB3 GLN 101 2HB GLN 101 14.377 12.610 11.007 652 HG2 GLN 101 1HG GLN 101 12.039 13.169 10.262 653 HG3 GLN 101 2HG GLN 101 11.674 13.725 11.899 654 HE21 GLN 101 2HE2 GLN 101 13.934 14.347 9.123 655 HE22 GLN 101 1HE2 GLN 101 14.092 16.056 9.497 656 HA PRO 102 HA PRO 102 10.699 10.507 15.438 657 HB2 PRO 102 1HB PRO 102 12.067 10.903 17.761 658 HB3 PRO 102 2HB PRO 102 12.241 9.422 16.772 659 HG2 PRO 102 1HG PRO 102 14.060 11.848 16.827 660 HG3 PRO 102 2HG PRO 102 14.512 10.118 16.876 661 HD2 PRO 102 1HD PRO 102 14.535 11.605 14.565 662 HD3 PRO 102 2HD PRO 102 14.154 9.856 14.580 663 H LYS 103 H LYS 103 9.236 12.085 15.403 664 HA LYS 103 HA LYS 103 9.548 14.664 16.713 665 HB2 LYS 103 1HB LYS 103 10.785 15.028 14.595 666 HB3 LYS 103 2HB LYS 103 9.364 14.549 13.670 667 HG2 LYS 103 1HG LYS 103 8.120 16.475 14.411 668 HG3 LYS 103 2HG LYS 103 9.337 16.894 15.628 669 HD2 LYS 103 1HD LYS 103 9.958 16.808 12.646 670 HD3 LYS 103 2HD LYS 103 9.341 18.262 13.448 671 HE2 LYS 103 1HE LYS 103 11.243 18.416 14.904 672 HE3 LYS 103 2HE LYS 103 11.826 16.814 14.441 673 HZ1 LYS 103 3HZ LYS 103 13.029 18.626 13.319 674 HZ2 LYS 103 1HZ LYS 103 12.324 17.601 12.265 675 HZ3 LYS 103 2HZ LYS 103 11.664 19.086 12.543 676 H5' G 104 H5' G 104 -5.750 -1.060 -13.646 677 H5'' G 104 H5" G 104 -4.054 -0.869 -13.189 678 H4' G 104 H4' G 104 -4.834 1.128 -14.326 679 H3' G 104 H3' G 104 -3.663 1.183 -11.702 680 H2' G 104 H2' G 104 -5.488 2.160 -10.669 681 HO2' G 104 HO2 G 104 -3.993 4.130 -11.972 682 H1' G 104 H1' G 104 -6.225 3.492 -13.300 683 H8 G 104 8H G 104 -7.569 2.167 -9.922 684 H1 G 104 1H G 104 -11.786 5.534 -13.424 685 H21 G 104 1H2 G 104 -10.839 6.035 -15.409 686 H22 G 104 2H2 G 104 -9.209 5.481 -15.755 687 HO5' G 104 H5T G 104 -6.341 -0.651 -11.487 688 H5' U 105 H5' U 105 -2.100 2.330 -10.626 689 H5'' U 105 H5" U 105 -1.057 3.500 -11.433 690 H4' U 105 H4' U 105 -0.111 2.745 -9.334 691 H3' U 105 H3' U 105 1.279 2.988 -11.690 692 H2' U 105 H2' U 105 1.227 0.713 -12.257 693 HO2' U 105 HO2 U 105 3.613 1.445 -11.181 694 H1' U 105 H1' U 105 1.780 -0.046 -9.388 695 H3 U 105 3H U 105 1.783 -4.429 -10.653 696 H5 U 105 5H U 105 -1.465 -2.859 -12.768 697 H6 U 105 6H U 105 -0.982 -0.668 -11.819 698 H5' A 106 H5' A 106 5.019 6.043 -9.381 699 H5'' A 106 H5" A 106 5.982 4.567 -9.226 700 H4' A 106 H4' A 106 4.703 6.141 -6.938 701 H3' A 106 H3' A 106 6.991 6.923 -8.194 702 H2' A 106 H2' A 106 7.941 4.687 -8.223 703 HO2' A 106 HO2 A 106 8.987 6.252 -6.101 704 H1' A 106 H1' A 106 7.299 4.529 -5.269 705 H8 A 106 8H A 106 6.942 2.263 -8.461 706 H61 A 106 1H6 A 106 8.935 -2.098 -4.380 707 H62 A 106 2H6 A 106 8.462 -1.894 -6.071 708 H2 A 106 2H A 106 8.878 1.674 -2.357 709 H5' G 107 H5' G 107 7.749 9.482 -3.674 710 H5'' G 107 H5" G 107 7.564 7.722 -3.614 711 H4' G 107 H4' G 107 5.653 9.498 -2.068 712 H3' G 107 H3' G 107 8.438 8.624 -1.245 713 H2' G 107 H2' G 107 7.642 8.594 0.949 714 HO2' G 107 HO2 G 107 6.458 10.739 0.580 715 H1' G 107 H1' G 107 4.981 7.869 0.171 716 H8 G 107 8H G 107 4.713 5.990 1.787 717 H1 G 107 1H G 107 10.788 3.939 1.116 718 H21 G 107 1H2 G 107 11.837 5.221 -0.309 719 H22 G 107 2H2 G 107 10.984 6.489 -1.192 720 H5' U 108 H5' U 108 10.801 11.583 1.901 721 H5'' U 108 H5" U 108 11.423 10.174 1.032 722 H4' U 108 H4' U 108 11.528 9.675 3.346 723 H3' U 108 H3' U 108 9.855 8.050 1.652 724 HO3' U 108 H3T U 108 10.448 6.685 3.674 725 H2' U 108 H2' U 108 7.921 8.368 2.924 726 HO2' U 108 HO2 U 108 7.789 6.822 4.640 727 H1' U 108 H1' U 108 9.635 8.875 5.363 728 H3 U 108 3H U 108 6.070 9.898 7.977 729 H5 U 108 5H U 108 4.788 11.128 4.186 730 H6 U 108 6H U 108 6.940 10.429 3.268 Start of MODEL 5 1 H CYS 20 1H CYS 20 11.321 -5.625 6.250 2 HA CYS 20 HA CYS 20 9.145 -6.534 5.781 3 HB2 CYS 20 1HB CYS 20 7.208 -5.865 7.183 4 HB3 CYS 20 2HB CYS 20 8.374 -6.780 8.121 5 HG CYS 20 HG CYS 20 7.263 -4.819 9.540 6 H LYS 21 H LYS 21 7.114 -4.890 5.430 7 HA LYS 21 HA LYS 21 6.232 -2.949 4.712 8 HB2 LYS 21 1HB LYS 21 8.115 -1.618 5.674 9 HB3 LYS 21 2HB LYS 21 8.930 -1.744 4.104 10 HG2 LYS 21 1HG LYS 21 7.237 -0.492 2.990 11 HG3 LYS 21 2HG LYS 21 6.099 -0.682 4.322 12 HD2 LYS 21 1HD LYS 21 7.582 0.718 5.771 13 HD3 LYS 21 2HD LYS 21 8.665 0.959 4.386 14 HE2 LYS 21 1HE LYS 21 6.921 2.027 3.102 15 HE3 LYS 21 2HE LYS 21 5.685 1.607 4.303 16 HZ1 LYS 21 3HZ LYS 21 6.627 3.937 4.311 17 HZ2 LYS 21 1HZ LYS 21 6.473 3.195 5.767 18 HZ3 LYS 21 2HZ LYS 21 7.959 3.327 5.034 19 H MET 22 H MET 22 5.335 -2.465 2.833 20 HA MET 22 HA MET 22 6.400 -3.614 0.302 21 HB2 MET 22 1HB MET 22 3.675 -4.195 1.547 22 HB3 MET 22 2HB MET 22 4.209 -4.700 -0.057 23 HG2 MET 22 1HG MET 22 6.111 -5.960 1.067 24 HG3 MET 22 2HG MET 22 5.371 -5.557 2.611 25 HE1 MET 22 3HE MET 22 3.999 -8.614 -0.498 26 HE2 MET 22 1HE MET 22 3.917 -6.893 -0.930 27 HE3 MET 22 2HE MET 22 5.472 -7.632 -0.478 28 H PHE 23 H PHE 23 5.781 -2.655 -1.484 29 HA PHE 23 HA PHE 23 4.156 -0.160 -1.500 30 HB2 PHE 23 1HB PHE 23 6.207 -0.010 -2.733 31 HB3 PHE 23 2HB PHE 23 5.993 -1.596 -3.454 32 HD1 PHE 23 2HD PHE 23 4.234 -1.971 -5.219 33 HD2 PHE 23 1HD PHE 23 5.252 1.968 -3.804 34 HE1 PHE 23 2HE PHE 23 3.197 -0.985 -7.237 35 HE2 PHE 23 1HE PHE 23 4.226 2.935 -5.847 36 HZ PHE 23 HZ PHE 23 3.202 1.483 -7.559 37 H ILE 24 H ILE 24 2.134 -0.151 -2.461 38 HA ILE 24 HA ILE 24 0.995 -2.804 -3.313 39 HB ILE 24 HB ILE 24 -0.580 -0.601 -1.958 40 HG12 ILE 24 1HG1 ILE 24 1.036 -1.183 -0.271 41 HG13 ILE 24 2HG1 ILE 24 -0.563 -1.768 0.129 42 HG21 ILE 24 1HG2 ILE 24 -1.817 -2.248 -3.301 43 HG22 ILE 24 2HG2 ILE 24 -1.100 -3.578 -2.382 44 HG23 ILE 24 3HG2 ILE 24 -2.183 -2.429 -1.577 45 HD11 ILE 24 3HD1 ILE 24 1.259 -3.356 0.729 46 HD12 ILE 24 1HD1 ILE 24 0.069 -4.064 -0.365 47 HD13 ILE 24 2HD1 ILE 24 1.653 -3.547 -0.979 48 H GLY 25 H GLY 25 0.892 -2.667 -5.506 49 HA2 GLY 25 1HA GLY 25 0.043 -0.124 -6.821 50 HA3 GLY 25 2HA GLY 25 0.803 -1.534 -7.586 51 H GLY 26 H GLY 26 -1.408 -0.275 -8.684 52 HA2 GLY 26 1HA GLY 26 -3.205 -1.034 -9.928 53 HA3 GLY 26 2HA GLY 26 -3.062 -2.622 -9.145 54 H LEU 27 H LEU 27 -3.459 0.084 -7.007 55 HA LEU 27 HA LEU 27 -5.894 -0.938 -5.857 56 HB2 LEU 27 1HB LEU 27 -4.619 1.824 -5.614 57 HB3 LEU 27 2HB LEU 27 -5.882 1.191 -4.586 58 HG LEU 27 HG LEU 27 -3.019 0.158 -4.709 59 HD11 LEU 27 1HD1 LEU 27 -3.402 2.361 -3.576 60 HD12 LEU 27 2HD1 LEU 27 -4.594 1.594 -2.520 61 HD13 LEU 27 3HD1 LEU 27 -2.888 1.094 -2.446 62 HD21 LEU 27 3HD2 LEU 27 -3.841 -1.139 -2.628 63 HD22 LEU 27 1HD2 LEU 27 -5.466 -0.929 -3.308 64 HD23 LEU 27 2HD2 LEU 27 -4.195 -1.760 -4.239 65 H SER 28 H SER 28 -7.878 0.371 -5.560 66 HA SER 28 HA SER 28 -8.945 1.428 -8.124 67 HB2 SER 28 1HB SER 28 -10.318 -0.059 -6.658 68 HB3 SER 28 2HB SER 28 -10.219 1.153 -5.375 69 HG SER 28 HG SER 28 -12.129 1.320 -6.536 70 H TRP 29 H TRP 29 -9.507 3.647 -8.401 71 HA TRP 29 HA TRP 29 -7.971 5.620 -7.072 72 HB2 TRP 29 1HB TRP 29 -10.367 5.682 -8.873 73 HB3 TRP 29 2HB TRP 29 -9.795 7.159 -8.105 74 HD1 TRP 29 HD TRP 29 -6.754 5.301 -8.854 75 HE1 TRP 29 1HE TRP 29 -5.690 6.033 -11.040 76 HE3 TRP 29 3HE TRP 29 -10.711 7.881 -10.841 77 HZ2 TRP 29 2HZ TRP 29 -6.390 7.691 -13.315 78 HZ3 TRP 29 3HZ TRP 29 -10.489 8.995 -13.046 79 HH2 TRP 29 HH TRP 29 -8.338 8.918 -14.286 80 H GLN 30 H GLN 30 -10.854 4.149 -5.923 81 HA GLN 30 HA GLN 30 -11.143 6.249 -3.812 82 HB2 GLN 30 1HB GLN 30 -13.393 5.444 -3.469 83 HB3 GLN 30 2HB GLN 30 -13.146 5.889 -5.158 84 HG2 GLN 30 1HG GLN 30 -12.909 3.511 -5.778 85 HG3 GLN 30 2HG GLN 30 -13.058 3.034 -4.084 86 HE21 GLN 30 2HE2 GLN 30 -14.771 1.663 -5.216 87 HE22 GLN 30 1HE2 GLN 30 -16.395 2.368 -5.298 88 H THR 31 H THR 31 -9.348 3.512 -4.077 89 HA THR 31 HA THR 31 -9.934 2.188 -1.562 90 HB THR 31 HB THR 31 -7.326 2.393 -3.134 91 HG1 THR 31 1HG THR 31 -9.325 0.369 -3.008 92 HG21 THR 31 3HG2 THR 31 -6.801 0.246 -1.906 93 HG22 THR 31 1HG2 THR 31 -6.806 1.678 -0.874 94 HG23 THR 31 2HG2 THR 31 -8.189 0.560 -0.848 95 H THR 32 H THR 32 -9.398 2.760 0.457 96 HA THR 32 HA THR 32 -7.730 5.192 0.940 97 HB THR 32 HB THR 32 -8.895 5.401 3.072 98 HG1 THR 32 1HG THR 32 -10.733 3.973 3.384 99 HG21 THR 32 3HG2 THR 32 -11.096 6.045 2.309 100 HG22 THR 32 1HG2 THR 32 -9.927 6.452 1.041 101 HG23 THR 32 2HG2 THR 32 -10.967 5.021 0.865 102 H GLN 33 H GLN 33 -6.398 5.142 2.880 103 HA GLN 33 HA GLN 33 -4.873 2.695 3.118 104 HB2 GLN 33 1HB GLN 33 -3.595 3.949 4.839 105 HB3 GLN 33 2HB GLN 33 -3.706 4.656 3.237 106 HG2 GLN 33 1HG GLN 33 -5.513 6.220 4.139 107 HG3 GLN 33 2HG GLN 33 -5.077 5.630 5.749 108 HE21 GLN 33 2HE2 GLN 33 -3.742 7.227 6.712 109 HE22 GLN 33 1HE2 GLN 33 -2.491 8.093 5.836 110 H GLU 34 H GLU 34 -7.619 3.877 4.888 111 HA GLU 34 HA GLU 34 -7.377 1.933 7.066 112 HB2 GLU 34 1HB GLU 34 -9.783 3.447 5.966 113 HB3 GLU 34 2HB GLU 34 -9.803 2.403 7.394 114 HG2 GLU 34 1HG GLU 34 -8.079 3.845 8.470 115 HG3 GLU 34 2HG GLU 34 -8.116 4.923 7.073 116 H GLY 35 H GLY 35 -8.853 1.998 3.800 117 HA2 GLY 35 1HA GLY 35 -10.045 -0.619 3.866 118 HA3 GLY 35 2HA GLY 35 -9.616 0.333 2.424 119 H LEU 36 H LEU 36 -6.759 0.535 2.966 120 HA LEU 36 HA LEU 36 -5.781 -2.037 2.179 121 HB2 LEU 36 1HB LEU 36 -4.196 0.188 3.563 122 HB3 LEU 36 2HB LEU 36 -3.529 -1.199 2.727 123 HG LEU 36 HG LEU 36 -4.947 1.175 1.495 124 HD11 LEU 36 1HD1 LEU 36 -2.539 1.391 2.082 125 HD12 LEU 36 2HD1 LEU 36 -2.179 -0.010 1.051 126 HD13 LEU 36 3HD1 LEU 36 -2.825 1.476 0.332 127 HD21 LEU 36 3HD2 LEU 36 -4.581 0.078 -0.701 128 HD22 LEU 36 1HD2 LEU 36 -4.162 -1.432 0.141 129 HD23 LEU 36 2HD2 LEU 36 -5.794 -0.725 0.297 130 H ARG 37 H ARG 37 -5.668 -0.529 5.479 131 HA ARG 37 HA ARG 37 -4.624 -2.843 6.743 132 HB2 ARG 37 1HB ARG 37 -4.809 -0.657 7.850 133 HB3 ARG 37 2HB ARG 37 -6.575 -0.771 7.848 134 HG2 ARG 37 1HG ARG 37 -6.491 -2.741 9.340 135 HG3 ARG 37 2HG ARG 37 -4.722 -2.740 9.253 136 HD2 ARG 37 1HD ARG 37 -4.770 -0.418 10.229 137 HD3 ARG 37 2HD ARG 37 -6.523 -0.588 10.404 138 HE ARG 37 HE ARG 37 -4.796 -2.654 11.699 139 HH11 ARG 37 1HH1 ARG 37 -6.686 0.302 12.235 140 HH12 ARG 37 2HH1 ARG 37 -6.903 -0.047 13.922 141 HH21 ARG 37 1HH2 ARG 37 -5.202 -3.084 13.845 142 HH22 ARG 37 2HH2 ARG 37 -6.051 -1.914 14.825 143 H GLU 38 H GLU 38 -8.004 -2.039 5.999 144 HA GLU 38 HA GLU 38 -9.245 -4.200 7.249 145 HB2 GLU 38 1HB GLU 38 -10.134 -2.071 5.834 146 HB3 GLU 38 2HB GLU 38 -10.345 -3.309 4.591 147 HG2 GLU 38 1HG GLU 38 -11.621 -4.668 6.282 148 HG3 GLU 38 2HG GLU 38 -11.404 -3.342 7.436 149 H TYR 39 H TYR 39 -7.662 -4.154 4.053 150 HA TYR 39 HA TYR 39 -8.382 -6.948 3.452 151 HB2 TYR 39 1HB TYR 39 -8.250 -5.188 1.722 152 HB3 TYR 39 2HB TYR 39 -6.531 -4.989 2.042 153 HD1 TYR 39 1HD TYR 39 -9.105 -7.515 1.018 154 HD2 TYR 39 2HD TYR 39 -4.937 -6.411 0.953 155 HE1 TYR 39 1HE TYR 39 -8.619 -9.460 -0.445 156 HE2 TYR 39 2HE TYR 39 -4.445 -8.342 -0.523 157 HH TYR 39 HH TYR 39 -7.012 -10.678 -1.508 158 H PHE 40 H PHE 40 -5.442 -5.156 4.422 159 HA PHE 40 HA PHE 40 -3.802 -7.525 4.214 160 HB2 PHE 40 1HB PHE 40 -3.276 -4.650 4.921 161 HB3 PHE 40 2HB PHE 40 -2.037 -5.848 5.159 162 HD1 PHE 40 2HD PHE 40 -1.781 -7.586 3.039 163 HD2 PHE 40 1HD PHE 40 -3.345 -3.580 2.785 164 HE1 PHE 40 2HE PHE 40 -1.366 -7.575 0.599 165 HE2 PHE 40 1HE PHE 40 -2.939 -3.576 0.347 166 HZ PHE 40 HZ PHE 40 -1.954 -5.577 -0.758 167 H GLY 41 H GLY 41 -5.602 -6.190 6.857 168 HA2 GLY 41 1HA GLY 41 -4.269 -7.425 9.041 169 HA3 GLY 41 2HA GLY 41 -5.990 -7.021 8.957 170 H GLN 42 H GLN 42 -5.861 -8.984 6.436 171 HA GLN 42 HA GLN 42 -6.674 -11.441 7.769 172 HB2 GLN 42 1HB GLN 42 -5.928 -10.921 4.856 173 HB3 GLN 42 2HB GLN 42 -6.791 -12.329 5.478 174 HG2 GLN 42 1HG GLN 42 -8.680 -10.855 6.177 175 HG3 GLN 42 2HG GLN 42 -7.823 -9.462 5.522 176 HE21 GLN 42 2HE2 GLN 42 -7.305 -9.498 3.146 177 HE22 GLN 42 1HE2 GLN 42 -8.422 -10.349 2.080 178 H PHE 43 H PHE 43 -3.630 -10.191 6.541 179 HA PHE 43 HA PHE 43 -2.284 -12.843 6.679 180 HB2 PHE 43 1HB PHE 43 -1.265 -10.177 5.631 181 HB3 PHE 43 2HB PHE 43 -0.525 -11.749 5.410 182 HD1 PHE 43 2HD PHE 43 -1.537 -13.405 3.824 183 HD2 PHE 43 1HD PHE 43 -3.216 -9.493 4.324 184 HE1 PHE 43 2HE PHE 43 -2.866 -13.719 1.756 185 HE2 PHE 43 1HE PHE 43 -4.550 -9.783 2.252 186 HZ PHE 43 HZ PHE 43 -4.391 -11.916 0.973 187 H GLY 44 H GLY 44 -2.418 -9.741 8.309 188 HA2 GLY 44 1HA GLY 44 -1.540 -10.570 10.800 189 HA3 GLY 44 2HA GLY 44 -0.072 -10.038 9.992 190 H GLU 45 H GLU 45 -1.156 -8.740 12.307 191 HA GLU 45 HA GLU 45 -2.641 -6.392 11.576 192 HB2 GLU 45 1HB GLU 45 -2.548 -7.253 13.877 193 HB3 GLU 45 2HB GLU 45 -0.822 -6.894 13.961 194 HG2 GLU 45 1HG GLU 45 -2.169 -5.212 15.120 195 HG3 GLU 45 2HG GLU 45 -1.263 -4.491 13.802 196 H VAL 46 H VAL 46 -1.937 -4.247 11.306 197 HA VAL 46 HA VAL 46 0.679 -4.138 9.901 198 HB VAL 46 HB VAL 46 -0.217 -2.478 8.485 199 HG11 VAL 46 1HG1 VAL 46 -0.693 -4.860 7.934 200 HG12 VAL 46 2HG1 VAL 46 -2.294 -4.692 8.693 201 HG13 VAL 46 3HG1 VAL 46 -1.883 -3.735 7.261 202 HG21 VAL 46 3HG2 VAL 46 -2.679 -1.872 8.591 203 HG22 VAL 46 1HG2 VAL 46 -2.661 -2.469 10.256 204 HG23 VAL 46 2HG2 VAL 46 -1.619 -1.105 9.778 205 H LYS 47 H LYS 47 2.139 -2.731 10.312 206 HA LYS 47 HA LYS 47 2.138 -1.110 12.771 207 HB2 LYS 47 1HB LYS 47 3.959 -2.654 12.037 208 HB3 LYS 47 2HB LYS 47 4.237 -1.641 10.619 209 HG2 LYS 47 1HG LYS 47 4.845 0.261 12.118 210 HG3 LYS 47 2HG LYS 47 4.576 -0.778 13.523 211 HD2 LYS 47 1HD LYS 47 6.660 -1.193 11.331 212 HD3 LYS 47 2HD LYS 47 6.965 -0.572 12.958 213 HE2 LYS 47 1HE LYS 47 6.158 -2.739 13.920 214 HE3 LYS 47 2HE LYS 47 5.931 -3.362 12.277 215 HZ1 LYS 47 3HZ LYS 47 8.059 -4.051 13.193 216 HZ2 LYS 47 1HZ LYS 47 8.312 -3.081 11.901 217 HZ3 LYS 47 2HZ LYS 47 8.531 -2.503 13.418 218 H GLU 48 H GLU 48 1.735 -0.636 9.334 219 HA GLU 48 HA GLU 48 1.040 2.173 9.587 220 HB2 GLU 48 1HB GLU 48 3.527 2.304 9.552 221 HB3 GLU 48 2HB GLU 48 3.548 1.371 8.058 222 HG2 GLU 48 1HG GLU 48 2.439 3.187 6.855 223 HG3 GLU 48 2HG GLU 48 2.266 4.107 8.359 224 H CYS 49 H CYS 49 -0.166 2.835 7.802 225 HA CYS 49 HA CYS 49 -0.259 1.243 5.323 226 HB2 CYS 49 1HB CYS 49 -2.599 1.607 7.228 227 HB3 CYS 49 2HB CYS 49 -2.874 1.530 5.478 228 HG CYS 49 HG CYS 49 -0.887 -0.598 6.967 229 H LEU 50 H LEU 50 -0.498 2.557 3.568 230 HA LEU 50 HA LEU 50 -1.163 5.445 3.911 231 HB2 LEU 50 1HB LEU 50 1.361 4.211 2.773 232 HB3 LEU 50 2HB LEU 50 0.900 5.877 2.478 233 HG LEU 50 HG LEU 50 1.538 4.733 5.222 234 HD11 LEU 50 1HD1 LEU 50 3.496 4.774 3.719 235 HD12 LEU 50 2HD1 LEU 50 3.181 6.478 3.321 236 HD13 LEU 50 3HD1 LEU 50 3.644 6.010 4.974 237 HD21 LEU 50 3HD2 LEU 50 1.599 7.109 5.916 238 HD22 LEU 50 1HD2 LEU 50 1.092 7.611 4.289 239 HD23 LEU 50 2HD2 LEU 50 -0.008 6.682 5.331 240 H VAL 51 H VAL 51 -2.002 6.415 2.134 241 HA VAL 51 HA VAL 51 -1.828 5.041 -0.529 242 HB VAL 51 HB VAL 51 -4.303 6.321 0.688 243 HG11 VAL 51 1HG1 VAL 51 -4.103 7.221 -1.586 244 HG12 VAL 51 2HG1 VAL 51 -3.793 5.595 -2.233 245 HG13 VAL 51 3HG1 VAL 51 -5.379 6.010 -1.542 246 HG21 VAL 51 3HG2 VAL 51 -5.358 4.177 0.035 247 HG22 VAL 51 1HG2 VAL 51 -3.810 3.597 -0.612 248 HG23 VAL 51 2HG2 VAL 51 -4.001 3.895 1.128 249 H MET 52 H MET 52 -1.058 6.268 -2.075 250 HA MET 52 HA MET 52 -0.049 8.955 -1.331 251 HB2 MET 52 1HB MET 52 0.684 6.925 -3.461 252 HB3 MET 52 2HB MET 52 1.473 8.505 -3.298 253 HG2 MET 52 1HG MET 52 1.433 6.442 -1.071 254 HG3 MET 52 2HG MET 52 2.702 6.603 -2.270 255 HE1 MET 52 3HE MET 52 2.296 8.943 1.546 256 HE2 MET 52 1HE MET 52 0.854 8.361 0.684 257 HE3 MET 52 2HE MET 52 2.108 7.210 1.209 258 H ARG 53 H ARG 53 -2.663 9.186 -1.722 259 HA ARG 53 HA ARG 53 -3.583 9.454 -4.369 260 HB2 ARG 53 1HB ARG 53 -5.591 10.387 -3.447 261 HB3 ARG 53 2HB ARG 53 -5.040 9.074 -2.423 262 HG2 ARG 53 1HG ARG 53 -4.115 10.771 -0.809 263 HG3 ARG 53 2HG ARG 53 -4.768 12.050 -1.860 264 HD2 ARG 53 1HD ARG 53 -7.042 10.922 -1.638 265 HD3 ARG 53 2HD ARG 53 -6.328 9.881 -0.394 266 HE ARG 53 HE ARG 53 -5.715 12.499 0.373 267 HH11 ARG 53 1HH1 ARG 53 -8.707 10.659 -0.083 268 HH12 ARG 53 2HH1 ARG 53 -9.582 11.630 1.063 269 HH21 ARG 53 1HH2 ARG 53 -6.905 13.704 1.843 270 HH22 ARG 53 2HH2 ARG 53 -8.573 13.322 2.140 271 H ASP 54 H ASP 54 -4.486 11.299 -5.449 272 HA ASP 54 HA ASP 54 -2.727 13.634 -5.629 273 HB2 ASP 54 1HB ASP 54 -3.658 12.622 -7.634 274 HB3 ASP 54 2HB ASP 54 -5.297 12.802 -7.013 275 HA PRO 55 HA PRO 55 -5.232 15.593 -2.502 276 HB2 PRO 55 1HB PRO 55 -4.040 18.043 -2.282 277 HB3 PRO 55 2HB PRO 55 -3.231 16.521 -1.797 278 HG2 PRO 55 1HG PRO 55 -2.950 18.019 -4.422 279 HG3 PRO 55 2HG PRO 55 -1.648 17.405 -3.358 280 HD2 PRO 55 1HD PRO 55 -2.532 16.006 -5.533 281 HD3 PRO 55 2HD PRO 55 -2.016 15.182 -4.029 282 H LEU 56 H LEU 56 -5.319 16.744 -5.796 283 HA LEU 56 HA LEU 56 -7.353 18.831 -5.233 284 HB2 LEU 56 1HB LEU 56 -5.869 17.855 -7.698 285 HB3 LEU 56 2HB LEU 56 -7.351 18.776 -7.846 286 HG LEU 56 HG LEU 56 -6.385 20.660 -6.600 287 HD11 LEU 56 1HD1 LEU 56 -4.714 19.612 -5.172 288 HD12 LEU 56 2HD1 LEU 56 -3.813 19.018 -6.591 289 HD13 LEU 56 3HD1 LEU 56 -3.906 20.758 -6.240 290 HD21 LEU 56 3HD2 LEU 56 -4.853 21.396 -8.388 291 HD22 LEU 56 1HD2 LEU 56 -4.689 19.719 -8.956 292 HD23 LEU 56 2HD2 LEU 56 -6.255 20.555 -9.065 293 H THR 57 H THR 57 -7.107 15.623 -6.767 294 HA THR 57 HA THR 57 -10.063 15.555 -7.206 295 HB THR 57 HB THR 57 -9.579 13.785 -8.809 296 HG1 THR 57 1HG THR 57 -6.849 14.274 -8.191 297 HG21 THR 57 3HG2 THR 57 -8.384 15.038 -10.503 298 HG22 THR 57 1HG2 THR 57 -9.451 16.133 -9.605 299 HG23 THR 57 2HG2 THR 57 -7.700 16.137 -9.288 300 H LYS 58 H LYS 58 -7.749 14.253 -5.109 301 HA LYS 58 HA LYS 58 -7.724 12.753 -3.470 302 HB2 LYS 58 1HB LYS 58 -10.741 12.873 -3.783 303 HB3 LYS 58 2HB LYS 58 -9.950 11.872 -2.584 304 HG2 LYS 58 1HG LYS 58 -10.662 13.955 -1.610 305 HG3 LYS 58 2HG LYS 58 -8.912 13.785 -1.517 306 HD2 LYS 58 1HD LYS 58 -8.579 15.437 -3.248 307 HD3 LYS 58 2HD LYS 58 -10.318 15.467 -3.633 308 HE2 LYS 58 1HE LYS 58 -10.810 16.400 -1.414 309 HE3 LYS 58 2HE LYS 58 -9.105 16.275 -0.951 310 HZ1 LYS 58 3HZ LYS 58 -9.703 18.522 -1.690 311 HZ2 LYS 58 1HZ LYS 58 -8.552 17.875 -2.657 312 HZ3 LYS 58 2HZ LYS 58 -10.108 17.966 -3.175 313 H ARG 59 H ARG 59 -8.159 11.885 -6.524 314 HA ARG 59 HA ARG 59 -8.608 9.063 -6.586 315 HB2 ARG 59 1HB ARG 59 -6.811 10.862 -8.261 316 HB3 ARG 59 2HB ARG 59 -7.196 9.181 -8.654 317 HG2 ARG 59 1HG ARG 59 -9.556 9.697 -8.922 318 HG3 ARG 59 2HG ARG 59 -9.314 11.357 -8.352 319 HD2 ARG 59 1HD ARG 59 -7.797 11.796 -10.268 320 HD3 ARG 59 2HD ARG 59 -8.101 10.157 -10.871 321 HE ARG 59 HE ARG 59 -10.610 11.394 -10.492 322 HH11 ARG 59 1HH1 ARG 59 -7.822 11.835 -12.619 323 HH12 ARG 59 2HH1 ARG 59 -8.779 12.550 -13.884 324 HH21 ARG 59 1HH2 ARG 59 -11.793 12.315 -12.163 325 HH22 ARG 59 2HH2 ARG 59 -10.999 12.809 -13.627 326 H SER 60 H SER 60 -7.488 7.448 -5.729 327 HA SER 60 HA SER 60 -5.168 7.661 -4.157 328 HB2 SER 60 1HB SER 60 -5.233 5.301 -4.034 329 HB3 SER 60 2HB SER 60 -6.917 5.814 -4.269 330 HG SER 60 HG SER 60 -6.630 4.221 -5.724 331 H ARG 61 H ARG 61 -5.210 7.819 -7.541 332 HA ARG 61 HA ARG 61 -3.736 7.643 -9.236 333 HB2 ARG 61 1HB ARG 61 -1.415 7.531 -7.284 334 HB3 ARG 61 2HB ARG 61 -1.413 8.038 -8.971 335 HG2 ARG 61 1HG ARG 61 -2.913 9.998 -8.270 336 HG3 ARG 61 2HG ARG 61 -2.605 9.505 -6.596 337 HD2 ARG 61 1HD ARG 61 -0.043 9.556 -7.534 338 HD3 ARG 61 2HD ARG 61 -0.772 10.765 -8.601 339 HE ARG 61 HE ARG 61 -1.106 10.868 -5.637 340 HH11 ARG 61 1HH1 ARG 61 0.405 12.415 -8.436 341 HH12 ARG 61 2HH1 ARG 61 0.874 13.811 -7.513 342 HH21 ARG 61 1HH2 ARG 61 -0.597 12.715 -4.546 343 HH22 ARG 61 2HH2 ARG 61 0.369 13.949 -5.315 344 H GLY 62 H GLY 62 -4.570 5.200 -7.429 345 HA2 GLY 62 1HA GLY 62 -4.624 2.953 -7.841 346 HA3 GLY 62 2HA GLY 62 -3.437 3.148 -9.148 347 H PHE 63 H PHE 63 -2.400 4.441 -6.020 348 HA PHE 63 HA PHE 63 -1.261 1.885 -5.241 349 HB2 PHE 63 1HB PHE 63 0.945 2.164 -5.712 350 HB3 PHE 63 2HB PHE 63 0.225 2.861 -7.132 351 HD1 PHE 63 2HD PHE 63 0.062 5.481 -7.245 352 HD2 PHE 63 1HD PHE 63 2.388 3.359 -4.298 353 HE1 PHE 63 2HE PHE 63 1.392 7.541 -6.796 354 HE2 PHE 63 1HE PHE 63 3.785 5.371 -3.953 355 HZ PHE 63 HZ PHE 63 3.274 7.465 -5.143 356 H GLY 64 H GLY 64 -0.017 1.776 -3.412 357 HA2 GLY 64 1HA GLY 64 0.161 4.021 -1.504 358 HA3 GLY 64 2HA GLY 64 -0.937 2.719 -1.062 359 H PHE 65 H PHE 65 0.471 2.510 0.780 360 HA PHE 65 HA PHE 65 2.640 0.539 0.382 361 HB2 PHE 65 1HB PHE 65 2.976 3.220 1.779 362 HB3 PHE 65 2HB PHE 65 3.989 1.851 2.135 363 HD1 PHE 65 1HD PHE 65 3.190 4.435 -0.432 364 HD2 PHE 65 2HD PHE 65 5.699 1.082 0.654 365 HE1 PHE 65 1HE PHE 65 4.895 5.165 -2.061 366 HE2 PHE 65 2HE PHE 65 7.381 1.819 -0.990 367 HZ PHE 65 HZ PHE 65 6.990 3.875 -2.355 368 H VAL 66 H VAL 66 2.954 -0.809 2.173 369 HA VAL 66 HA VAL 66 1.349 -0.361 4.650 370 HB VAL 66 HB VAL 66 1.158 -2.874 2.940 371 HG11 VAL 66 1HG1 VAL 66 1.232 -3.630 5.240 372 HG12 VAL 66 2HG1 VAL 66 0.085 -2.372 5.745 373 HG13 VAL 66 3HG1 VAL 66 -0.442 -3.703 4.696 374 HG21 VAL 66 3HG2 VAL 66 -1.278 -2.371 2.925 375 HG22 VAL 66 1HG2 VAL 66 -0.962 -0.856 3.792 376 HG23 VAL 66 2HG2 VAL 66 -0.339 -1.091 2.166 377 H THR 67 H THR 67 2.316 -1.093 6.457 378 HA THR 67 HA THR 67 4.783 -2.794 6.264 379 HB THR 67 HB THR 67 4.270 -0.690 8.395 380 HG1 THR 67 1HG THR 67 5.498 0.679 7.209 381 HG21 THR 67 3HG2 THR 67 6.737 -0.907 8.714 382 HG22 THR 67 1HG2 THR 67 5.897 -2.433 9.022 383 HG23 THR 67 2HG2 THR 67 6.769 -2.201 7.499 384 H PHE 68 H PHE 68 4.785 -4.558 7.574 385 HA PHE 68 HA PHE 68 2.359 -5.095 9.200 386 HB2 PHE 68 1HB PHE 68 4.542 -6.850 8.045 387 HB3 PHE 68 2HB PHE 68 3.364 -7.425 9.215 388 HD1 PHE 68 2HD PHE 68 0.996 -7.638 8.708 389 HD2 PHE 68 1HD PHE 68 3.796 -6.307 5.714 390 HE1 PHE 68 2HE PHE 68 -0.665 -8.111 6.940 391 HE2 PHE 68 1HE PHE 68 2.134 -6.805 3.939 392 HZ PHE 68 HZ PHE 68 -0.097 -7.719 4.552 393 H MET 69 H MET 69 2.458 -5.898 11.317 394 HA MET 69 HA MET 69 4.503 -4.878 13.088 395 HB2 MET 69 1HB MET 69 2.283 -6.923 13.461 396 HB3 MET 69 2HB MET 69 3.327 -6.364 14.767 397 HG2 MET 69 1HG MET 69 1.537 -4.552 13.101 398 HG3 MET 69 2HG MET 69 1.158 -5.192 14.697 399 HE1 MET 69 3HE MET 69 1.618 -1.527 15.680 400 HE2 MET 69 1HE MET 69 0.732 -2.287 14.340 401 HE3 MET 69 2HE MET 69 0.704 -3.024 15.954 402 H ASP 70 H ASP 70 4.451 -7.716 11.141 403 HA ASP 70 HA ASP 70 7.123 -8.437 12.039 404 HB2 ASP 70 1HB ASP 70 5.541 -9.747 13.559 405 HB3 ASP 70 2HB ASP 70 4.963 -10.573 12.107 406 H GLN 71 H GLN 71 8.186 -9.848 10.561 407 HA GLN 71 HA GLN 71 7.675 -9.391 7.797 408 HB2 GLN 71 1HB GLN 71 9.871 -9.888 8.950 409 HB3 GLN 71 2HB GLN 71 9.339 -11.552 9.154 410 HG2 GLN 71 1HG GLN 71 10.862 -11.379 7.254 411 HG3 GLN 71 2HG GLN 71 9.269 -11.843 6.687 412 HE21 GLN 71 2HE2 GLN 71 10.153 -11.077 4.541 413 HE22 GLN 71 1HE2 GLN 71 10.086 -9.356 4.202 414 H ALA 72 H ALA 72 6.549 -11.979 9.937 415 HA ALA 72 HA ALA 72 5.920 -13.962 8.041 416 HB1 ALA 72 1HB ALA 72 5.897 -14.273 10.493 417 HB2 ALA 72 2HB ALA 72 4.464 -13.221 10.618 418 HB3 ALA 72 3HB ALA 72 4.357 -14.778 9.769 419 H GLY 73 H GLY 73 4.198 -10.919 8.571 420 HA2 GLY 73 1HA GLY 73 1.866 -11.785 6.982 421 HA3 GLY 73 2HA GLY 73 2.202 -10.140 7.555 422 H VAL 74 H VAL 74 4.929 -10.158 6.384 423 HA VAL 74 HA VAL 74 4.302 -9.236 3.686 424 HB VAL 74 HB VAL 74 6.975 -9.747 5.057 425 HG11 VAL 74 1HG1 VAL 74 7.385 -10.026 2.692 426 HG12 VAL 74 2HG1 VAL 74 6.468 -8.556 2.305 427 HG13 VAL 74 3HG1 VAL 74 8.001 -8.452 3.190 428 HG21 VAL 74 3HG2 VAL 74 7.139 -7.289 5.082 429 HG22 VAL 74 1HG2 VAL 74 5.520 -7.169 4.370 430 HG23 VAL 74 2HG2 VAL 74 5.738 -7.854 5.999 431 H ASP 75 H ASP 75 5.963 -12.103 5.096 432 HA ASP 75 HA ASP 75 6.623 -13.508 2.793 433 HB2 ASP 75 1HB ASP 75 7.167 -14.085 5.187 434 HB3 ASP 75 2HB ASP 75 5.525 -14.664 5.395 435 H LYS 76 H LYS 76 3.458 -13.623 4.503 436 HA LYS 76 HA LYS 76 2.242 -15.543 2.760 437 HB2 LYS 76 1HB LYS 76 1.027 -13.340 4.471 438 HB3 LYS 76 2HB LYS 76 0.129 -14.679 3.718 439 HG2 LYS 76 1HG LYS 76 1.123 -16.324 5.097 440 HG3 LYS 76 2HG LYS 76 2.373 -15.212 5.681 441 HD2 LYS 76 1HD LYS 76 0.574 -13.772 6.678 442 HD3 LYS 76 2HD LYS 76 -0.642 -14.967 6.174 443 HE2 LYS 76 1HE LYS 76 0.460 -16.666 7.589 444 HE3 LYS 76 2HE LYS 76 1.708 -15.484 8.039 445 HZ1 LYS 76 3HZ LYS 76 0.045 -15.560 9.759 446 HZ2 LYS 76 1HZ LYS 76 -0.105 -14.112 8.997 447 HZ3 LYS 76 2HZ LYS 76 -1.178 -15.313 8.704 448 H VAL 77 H VAL 77 2.355 -11.983 2.569 449 HA VAL 77 HA VAL 77 0.414 -11.807 0.437 450 HB VAL 77 HB VAL 77 2.498 -9.807 1.361 451 HG11 VAL 77 1HG1 VAL 77 1.876 -9.206 -0.955 452 HG12 VAL 77 2HG1 VAL 77 0.154 -9.338 -0.539 453 HG13 VAL 77 3HG1 VAL 77 1.161 -8.070 0.187 454 HG21 VAL 77 3HG2 VAL 77 0.586 -8.704 2.457 455 HG22 VAL 77 1HG2 VAL 77 -0.542 -9.893 1.769 456 HG23 VAL 77 2HG2 VAL 77 0.630 -10.389 2.990 457 H LEU 78 H LEU 78 3.953 -12.263 0.475 458 HA LEU 78 HA LEU 78 4.257 -12.046 -2.426 459 HB2 LEU 78 1HB LEU 78 5.988 -13.388 -0.317 460 HB3 LEU 78 2HB LEU 78 6.496 -12.952 -1.945 461 HG LEU 78 HG LEU 78 5.606 -10.903 0.137 462 HD11 LEU 78 1HD1 LEU 78 7.473 -12.182 0.945 463 HD12 LEU 78 2HD1 LEU 78 8.358 -11.964 -0.583 464 HD13 LEU 78 3HD1 LEU 78 8.044 -10.560 0.474 465 HD21 LEU 78 3HD2 LEU 78 6.788 -9.303 -1.310 466 HD22 LEU 78 1HD2 LEU 78 7.088 -10.588 -2.503 467 HD23 LEU 78 2HD2 LEU 78 5.424 -10.056 -2.140 468 H ALA 79 H ALA 79 3.887 -14.717 -0.094 469 HA ALA 79 HA ALA 79 4.281 -16.805 -1.949 470 HB1 ALA 79 1HB ALA 79 4.511 -17.043 0.492 471 HB2 ALA 79 2HB ALA 79 2.757 -16.811 0.694 472 HB3 ALA 79 3HB ALA 79 3.377 -18.245 -0.150 473 H GLN 80 H GLN 80 1.365 -14.941 -1.345 474 HA GLN 80 HA GLN 80 -0.382 -16.823 -2.801 475 HB2 GLN 80 1HB GLN 80 -1.196 -15.648 -0.807 476 HB3 GLN 80 2HB GLN 80 -0.915 -14.084 -1.581 477 HG2 GLN 80 1HG GLN 80 -2.587 -14.578 -3.294 478 HG3 GLN 80 2HG GLN 80 -2.790 -16.225 -2.695 479 HE21 GLN 80 2HE2 GLN 80 -4.468 -13.462 -2.818 480 HE22 GLN 80 1HE2 GLN 80 -5.315 -13.580 -1.273 481 H SER 81 H SER 81 -0.941 -16.652 -4.936 482 HA SER 81 HA SER 81 0.765 -15.067 -6.591 483 HB2 SER 81 1HB SER 81 -1.586 -16.803 -7.405 484 HB3 SER 81 2HB SER 81 -0.219 -16.310 -8.416 485 HG SER 81 HG SER 81 0.047 -18.446 -7.590 486 H ARG 82 H ARG 82 -2.310 -14.166 -5.375 487 HA ARG 82 HA ARG 82 -2.558 -11.878 -7.161 488 HB2 ARG 82 1HB ARG 82 -3.474 -13.780 -8.522 489 HB3 ARG 82 2HB ARG 82 -4.684 -14.066 -7.273 490 HG2 ARG 82 1HG ARG 82 -5.673 -11.856 -7.668 491 HG3 ARG 82 2HG ARG 82 -4.378 -11.433 -8.801 492 HD2 ARG 82 1HD ARG 82 -6.321 -13.746 -9.178 493 HD3 ARG 82 2HD ARG 82 -6.564 -12.122 -9.850 494 HE ARG 82 HE ARG 82 -4.012 -12.922 -10.683 495 HH11 ARG 82 1HH1 ARG 82 -7.324 -14.027 -11.261 496 HH12 ARG 82 2HH1 ARG 82 -6.931 -14.674 -12.826 497 HH21 ARG 82 1HH2 ARG 82 -3.573 -13.783 -12.705 498 HH22 ARG 82 2HH2 ARG 82 -4.837 -14.532 -13.631 499 H HIS 83 H HIS 83 -4.014 -10.326 -6.422 500 HA HIS 83 HA HIS 83 -5.529 -10.766 -3.902 501 HB2 HIS 83 1HB HIS 83 -3.341 -8.707 -4.396 502 HB3 HIS 83 2HB HIS 83 -4.476 -8.624 -3.048 503 HD1 HIS 83 1HD HIS 83 -4.188 -10.606 -1.156 504 HD2 HIS 83 2HD HIS 83 -1.252 -10.316 -4.150 505 HE1 HIS 83 1HE HIS 83 -2.171 -11.951 -0.329 506 H GLU 84 H GLU 84 -7.145 -9.054 -3.517 507 HA GLU 84 HA GLU 84 -7.783 -7.220 -5.731 508 HB2 GLU 84 1HB GLU 84 -8.644 -9.528 -6.377 509 HB3 GLU 84 2HB GLU 84 -9.717 -9.439 -4.976 510 HG2 GLU 84 1HG GLU 84 -10.641 -7.268 -5.968 511 HG3 GLU 84 2HG GLU 84 -9.673 -7.602 -7.407 512 H LEU 85 H LEU 85 -8.777 -5.464 -5.015 513 HA LEU 85 HA LEU 85 -10.325 -5.404 -2.497 514 HB2 LEU 85 1HB LEU 85 -8.031 -5.100 -1.746 515 HB3 LEU 85 2HB LEU 85 -7.728 -3.899 -3.006 516 HG LEU 85 HG LEU 85 -9.267 -2.316 -1.908 517 HD11 LEU 85 1HD1 LEU 85 -10.885 -3.752 -0.806 518 HD12 LEU 85 2HD1 LEU 85 -9.617 -4.542 0.146 519 HD13 LEU 85 3HD1 LEU 85 -10.033 -2.845 0.453 520 HD21 LEU 85 3HD2 LEU 85 -7.861 -1.873 0.065 521 HD22 LEU 85 1HD2 LEU 85 -7.176 -3.508 -0.033 522 HD23 LEU 85 2HD2 LEU 85 -6.872 -2.335 -1.333 523 H ASP 86 H ASP 86 -12.020 -4.088 -2.727 524 HA ASP 86 HA ASP 86 -13.619 -2.859 -3.712 525 HB2 ASP 86 1HB ASP 86 -12.014 -1.044 -3.057 526 HB3 ASP 86 2HB ASP 86 -11.407 -1.034 -4.712 527 H SER 87 H SER 87 -12.868 -5.103 -5.123 528 HA SER 87 HA SER 87 -13.172 -6.226 -7.069 529 HB2 SER 87 1HB SER 87 -14.627 -3.750 -8.052 530 HB3 SER 87 2HB SER 87 -14.716 -5.381 -8.726 531 HG SER 87 HG SER 87 -16.478 -4.918 -7.302 532 H LYS 88 H LYS 88 -10.765 -4.387 -6.776 533 HA LYS 88 HA LYS 88 -9.863 -4.327 -9.635 534 HB2 LYS 88 1HB LYS 88 -9.597 -2.379 -7.343 535 HB3 LYS 88 2HB LYS 88 -8.227 -2.545 -8.417 536 HG2 LYS 88 1HG LYS 88 -10.974 -2.107 -9.625 537 HG3 LYS 88 2HG LYS 88 -10.113 -0.757 -8.879 538 HD2 LYS 88 1HD LYS 88 -8.164 -1.119 -10.294 539 HD3 LYS 88 2HD LYS 88 -8.952 -2.495 -11.095 540 HE2 LYS 88 1HE LYS 88 -10.638 -1.078 -12.071 541 HE3 LYS 88 2HE LYS 88 -10.201 0.282 -11.039 542 HZ1 LYS 88 3HZ LYS 88 -9.244 0.599 -13.223 543 HZ2 LYS 88 1HZ LYS 88 -8.000 0.306 -12.190 544 HZ3 LYS 88 2HZ LYS 88 -8.520 -0.865 -13.204 545 H THR 89 H THR 89 -8.166 -5.587 -10.071 546 HA THR 89 HA THR 89 -7.019 -7.341 -8.069 547 HB THR 89 HB THR 89 -6.110 -6.909 -10.939 548 HG1 THR 89 1HG THR 89 -7.588 -8.579 -11.379 549 HG21 THR 89 3HG2 THR 89 -5.376 -9.269 -10.743 550 HG22 THR 89 1HG2 THR 89 -4.562 -8.267 -9.532 551 HG23 THR 89 2HG2 THR 89 -5.919 -9.309 -9.050 552 H ILE 90 H ILE 90 -5.337 -6.912 -6.783 553 HA ILE 90 HA ILE 90 -3.653 -4.515 -7.404 554 HB ILE 90 HB ILE 90 -3.247 -4.216 -5.073 555 HG12 ILE 90 1HG1 ILE 90 -5.018 -6.593 -4.468 556 HG13 ILE 90 2HG1 ILE 90 -3.258 -6.490 -4.260 557 HG21 ILE 90 1HG2 ILE 90 -5.312 -3.249 -6.175 558 HG22 ILE 90 2HG2 ILE 90 -6.247 -4.616 -5.537 559 HG23 ILE 90 3HG2 ILE 90 -5.518 -3.468 -4.434 560 HD11 ILE 90 3HD1 ILE 90 -4.173 -6.103 -2.113 561 HD12 ILE 90 1HD1 ILE 90 -3.650 -4.507 -2.712 562 HD13 ILE 90 2HD1 ILE 90 -5.371 -4.956 -2.731 563 H ASP 91 H ASP 91 -1.473 -4.508 -6.934 564 HA ASP 91 HA ASP 91 -0.117 -7.169 -7.204 565 HB2 ASP 91 1HB ASP 91 -0.459 -6.093 -9.371 566 HB3 ASP 91 2HB ASP 91 0.309 -4.620 -8.778 567 HA PRO 92 HA PRO 92 1.935 -4.742 -3.881 568 HB2 PRO 92 1HB PRO 92 1.648 -6.495 -1.787 569 HB3 PRO 92 2HB PRO 92 0.412 -5.313 -2.292 570 HG2 PRO 92 1HG PRO 92 0.448 -8.263 -2.789 571 HG3 PRO 92 2HG PRO 92 -0.950 -7.142 -2.556 572 HD2 PRO 92 1HD PRO 92 0.030 -8.102 -5.019 573 HD3 PRO 92 2HD PRO 92 -1.101 -6.750 -4.737 574 H LYS 93 H LYS 93 3.989 -4.908 -3.085 575 HA LYS 93 HA LYS 93 5.681 -7.274 -3.529 576 HB2 LYS 93 1HB LYS 93 7.088 -6.099 -5.213 577 HB3 LYS 93 2HB LYS 93 5.454 -6.416 -5.787 578 HG2 LYS 93 1HG LYS 93 4.815 -4.063 -5.303 579 HG3 LYS 93 2HG LYS 93 6.438 -3.740 -4.689 580 HD2 LYS 93 1HD LYS 93 6.299 -2.857 -6.920 581 HD3 LYS 93 2HD LYS 93 7.374 -4.251 -6.933 582 HE2 LYS 93 1HE LYS 93 6.019 -4.398 -8.896 583 HE3 LYS 93 2HE LYS 93 5.472 -5.664 -7.798 584 HZ1 LYS 93 3HZ LYS 93 3.610 -4.518 -8.765 585 HZ2 LYS 93 1HZ LYS 93 3.603 -4.189 -7.176 586 HZ3 LYS 93 2HZ LYS 93 4.117 -3.053 -8.260 587 H VAL 94 H VAL 94 7.976 -6.850 -2.916 588 HA VAL 94 HA VAL 94 8.072 -5.624 -0.332 589 HB VAL 94 HB VAL 94 10.417 -6.482 -2.078 590 HG11 VAL 94 1HG1 VAL 94 11.221 -5.032 -0.266 591 HG12 VAL 94 2HG1 VAL 94 10.260 -5.938 0.926 592 HG13 VAL 94 3HG1 VAL 94 11.635 -6.704 0.102 593 HG21 VAL 94 3HG2 VAL 94 10.361 -8.552 -0.663 594 HG22 VAL 94 1HG2 VAL 94 8.840 -7.986 0.061 595 HG23 VAL 94 2HG2 VAL 94 8.929 -8.376 -1.673 596 H ALA 95 H ALA 95 8.794 -3.678 0.415 597 HA ALA 95 HA ALA 95 8.838 -1.502 -1.520 598 HB1 ALA 95 1HB ALA 95 7.548 -1.288 0.527 599 HB2 ALA 95 2HB ALA 95 9.005 -1.538 1.514 600 HB3 ALA 95 3HB ALA 95 8.838 -0.077 0.518 601 H PHE 96 H PHE 96 10.447 -0.193 -2.096 602 HA PHE 96 HA PHE 96 13.208 -0.689 -1.840 603 HB2 PHE 96 1HB PHE 96 11.697 1.914 -2.324 604 HB3 PHE 96 2HB PHE 96 13.396 1.700 -2.648 605 HD1 PHE 96 1HD PHE 96 12.659 -1.329 -3.876 606 HD2 PHE 96 2HD PHE 96 11.591 2.788 -4.631 607 HE1 PHE 96 1HE PHE 96 12.171 -1.881 -6.230 608 HE2 PHE 96 2HE PHE 96 11.105 2.222 -6.991 609 HZ PHE 96 HZ PHE 96 11.389 -0.115 -7.799 610 HA PRO 97 HA PRO 97 14.735 1.000 1.980 611 HB2 PRO 97 1HB PRO 97 16.367 2.916 0.301 612 HB3 PRO 97 2HB PRO 97 16.878 1.951 1.725 613 HG2 PRO 97 1HG PRO 97 17.475 1.065 -0.746 614 HG3 PRO 97 2HG PRO 97 16.799 -0.089 0.453 615 HD2 PRO 97 1HD PRO 97 15.367 1.377 -1.770 616 HD3 PRO 97 2HD PRO 97 15.259 -0.349 -1.308 617 H ARG 98 H ARG 98 15.066 2.974 3.291 618 HA ARG 98 HA ARG 98 13.320 5.263 2.706 619 HB2 ARG 98 1HB ARG 98 11.890 4.708 4.648 620 HB3 ARG 98 2HB ARG 98 11.786 3.523 3.358 621 HG2 ARG 98 1HG ARG 98 13.632 2.251 4.884 622 HG3 ARG 98 2HG ARG 98 12.952 3.292 6.132 623 HD2 ARG 98 1HD ARG 98 11.775 1.232 6.218 624 HD3 ARG 98 2HD ARG 98 10.659 2.392 5.487 625 HE ARG 98 HE ARG 98 11.384 1.456 3.247 626 HH11 ARG 98 1HH1 ARG 98 11.367 -0.668 6.084 627 HH12 ARG 98 2HH1 ARG 98 11.178 -2.094 5.102 628 HH21 ARG 98 1HH2 ARG 98 11.477 -0.395 2.073 629 HH22 ARG 98 2HH2 ARG 98 11.367 -1.948 2.852 630 H ARG 99 H ARG 99 13.587 6.992 4.076 631 HA ARG 99 HA ARG 99 15.611 6.922 6.262 632 HB2 ARG 99 1HB ARG 99 15.721 8.714 3.802 633 HB3 ARG 99 2HB ARG 99 16.627 9.032 5.272 634 HG2 ARG 99 1HG ARG 99 17.010 6.539 3.550 635 HG3 ARG 99 2HG ARG 99 17.925 8.029 3.408 636 HD2 ARG 99 1HD ARG 99 19.315 6.650 4.667 637 HD3 ARG 99 2HD ARG 99 18.608 7.767 5.846 638 HE ARG 99 HE ARG 99 17.085 5.305 5.562 639 HH11 ARG 99 1HH1 ARG 99 19.967 6.549 7.202 640 HH12 ARG 99 2HH1 ARG 99 19.866 5.353 8.460 641 HH21 ARG 99 1HH2 ARG 99 17.005 3.828 7.178 642 HH22 ARG 99 2HH2 ARG 99 18.203 3.815 8.443 643 H ALA 100 H ALA 100 14.540 7.650 7.923 644 HA ALA 100 HA ALA 100 13.383 10.304 8.047 645 HB1 ALA 100 1HB ALA 100 11.452 9.109 7.066 646 HB2 ALA 100 2HB ALA 100 11.550 7.871 8.341 647 HB3 ALA 100 3HB ALA 100 11.112 9.544 8.748 648 H GLN 101 H GLN 101 13.267 11.051 10.195 649 HA GLN 101 HA GLN 101 13.729 9.300 12.478 650 HB2 GLN 101 1HB GLN 101 15.835 10.423 13.031 651 HB3 GLN 101 2HB GLN 101 15.984 9.513 11.535 652 HG2 GLN 101 1HG GLN 101 16.048 11.503 10.209 653 HG3 GLN 101 2HG GLN 101 15.425 12.511 11.514 654 HE21 GLN 101 2HE2 GLN 101 16.828 13.183 13.242 655 HE22 GLN 101 1HE2 GLN 101 18.575 13.025 13.069 656 HA PRO 102 HA PRO 102 12.006 12.871 14.680 657 HB2 PRO 102 1HB PRO 102 14.136 12.418 16.758 658 HB3 PRO 102 2HB PRO 102 12.367 12.589 16.974 659 HG2 PRO 102 1HG PRO 102 13.538 10.149 17.131 660 HG3 PRO 102 2HG PRO 102 11.988 10.345 16.247 661 HD2 PRO 102 1HD PRO 102 14.798 10.254 15.108 662 HD3 PRO 102 2HD PRO 102 13.335 9.365 14.580 663 H LYS 103 H LYS 103 12.503 15.035 15.200 664 HA LYS 103 HA LYS 103 13.461 17.079 15.063 665 HB2 LYS 103 1HB LYS 103 16.071 15.614 15.604 666 HB3 LYS 103 2HB LYS 103 15.810 17.356 15.696 667 HG2 LYS 103 1HG LYS 103 14.135 17.032 17.498 668 HG3 LYS 103 2HG LYS 103 14.355 15.281 17.397 669 HD2 LYS 103 1HD LYS 103 15.597 16.095 19.279 670 HD3 LYS 103 2HD LYS 103 16.736 15.530 18.050 671 HE2 LYS 103 1HE LYS 103 17.121 17.876 17.328 672 HE3 LYS 103 2HE LYS 103 15.940 18.444 18.515 673 HZ1 LYS 103 3HZ LYS 103 18.209 18.643 19.354 674 HZ2 LYS 103 1HZ LYS 103 17.389 17.573 20.271 675 HZ3 LYS 103 2HZ LYS 103 18.479 17.044 19.173 676 H5' G 104 H5' G 104 -5.706 -0.528 -13.346 677 H5'' G 104 H5" G 104 -4.251 -0.377 -12.361 678 H4' G 104 H4' G 104 -4.421 1.294 -14.203 679 H3' G 104 H3' G 104 -3.442 1.739 -11.660 680 H2' G 104 H2' G 104 -5.263 2.763 -10.695 681 HO2' G 104 HO2 G 104 -3.751 4.680 -12.036 682 H1' G 104 H1' G 104 -6.076 4.206 -13.212 683 H8 G 104 8H G 104 -7.271 2.318 -10.077 684 H1 G 104 1H G 104 -11.861 5.444 -13.335 685 H21 G 104 1H2 G 104 -10.995 6.162 -15.290 686 H22 G 104 2H2 G 104 -9.314 5.824 -15.667 687 HO5' G 104 H5T G 104 -5.899 -0.612 -10.903 688 H5' U 105 H5' U 105 -1.851 2.958 -10.618 689 H5'' U 105 H5" U 105 -0.717 4.036 -11.427 690 H4' U 105 H4' U 105 0.114 3.248 -9.274 691 H3' U 105 H3' U 105 1.602 3.426 -11.570 692 H2' U 105 H2' U 105 1.423 1.157 -12.154 693 HO2' U 105 HO2 U 105 3.822 1.757 -11.044 694 H1' U 105 H1' U 105 1.863 0.366 -9.273 695 H3 U 105 3H U 105 1.794 -3.999 -10.610 696 H5 U 105 5H U 105 -1.443 -2.335 -12.675 697 H6 U 105 6H U 105 -0.885 -0.158 -11.729 698 H5' A 106 H5' A 106 5.533 6.160 -9.128 699 H5'' A 106 H5" A 106 6.370 4.607 -8.987 700 H4' A 106 H4' A 106 5.198 6.238 -6.683 701 H3' A 106 H3' A 106 7.545 6.893 -7.901 702 H2' A 106 H2' A 106 8.333 4.593 -7.981 703 HO2' A 106 HO2 A 106 9.487 6.037 -5.829 704 H1' A 106 H1' A 106 7.675 4.438 -5.032 705 H8 A 106 8H A 106 7.152 2.217 -8.230 706 H61 A 106 1H6 A 106 9.047 -2.253 -4.220 707 H62 A 106 2H6 A 106 8.552 -2.017 -5.901 708 H2 A 106 2H A 106 9.186 1.501 -2.169 709 H5' G 107 H5' G 107 8.242 9.405 -3.203 710 H5'' G 107 H5" G 107 8.088 7.640 -3.229 711 H4' G 107 H4' G 107 6.029 9.320 -1.763 712 H3' G 107 H3' G 107 8.762 8.485 -0.746 713 H2' G 107 H2' G 107 7.756 8.334 1.389 714 HO2' G 107 HO2 G 107 6.550 10.420 1.091 715 H1' G 107 H1' G 107 5.229 7.509 0.360 716 H8 G 107 8H G 107 5.018 5.578 1.950 717 H1 G 107 1H G 107 11.097 3.603 1.047 718 H21 G 107 1H2 G 107 12.135 5.010 -0.249 719 H22 G 107 2H2 G 107 11.284 6.364 -0.992 720 H5' U 108 H5' U 108 10.449 11.355 2.955 721 H5'' U 108 H5" U 108 11.485 10.351 1.934 722 H4' U 108 H4' U 108 11.506 9.414 4.104 723 H3' U 108 H3' U 108 10.466 7.834 1.920 724 HO3' U 108 H3T U 108 11.280 6.285 3.734 725 H2' U 108 H2' U 108 8.446 7.311 2.974 726 HO2' U 108 HO2 U 108 8.907 5.666 4.787 727 H1' U 108 H1' U 108 9.659 7.770 5.694 728 H3 U 108 3H U 108 5.481 6.471 7.142 729 H5 U 108 5H U 108 4.841 10.035 5.031 730 H6 U 108 6H U 108 7.123 9.915 4.178 Start of MODEL 6 1 H CYS 20 1H CYS 20 10.571 -4.426 6.566 2 HA CYS 20 HA CYS 20 9.076 -6.301 6.394 3 HB2 CYS 20 1HB CYS 20 7.701 -5.175 8.882 4 HB3 CYS 20 2HB CYS 20 7.302 -6.657 8.015 5 HG CYS 20 HG CYS 20 8.467 -7.115 10.386 6 H LYS 21 H LYS 21 9.074 -4.546 4.567 7 HA LYS 21 HA LYS 21 6.567 -2.915 4.663 8 HB2 LYS 21 1HB LYS 21 8.670 -1.662 5.336 9 HB3 LYS 21 2HB LYS 21 9.236 -1.871 3.677 10 HG2 LYS 21 1HG LYS 21 7.171 -0.646 2.872 11 HG3 LYS 21 2HG LYS 21 6.652 -0.492 4.552 12 HD2 LYS 21 1HD LYS 21 8.972 0.666 4.933 13 HD3 LYS 21 2HD LYS 21 9.050 0.742 3.173 14 HE2 LYS 21 1HE LYS 21 8.126 2.824 3.682 15 HE3 LYS 21 2HE LYS 21 6.682 1.872 3.340 16 HZ1 LYS 21 3HZ LYS 21 6.366 3.078 5.420 17 HZ2 LYS 21 1HZ LYS 21 6.521 1.501 5.799 18 HZ3 LYS 21 2HZ LYS 21 7.775 2.523 6.027 19 H MET 22 H MET 22 5.532 -2.519 2.766 20 HA MET 22 HA MET 22 6.475 -3.833 0.261 21 HB2 MET 22 1HB MET 22 3.782 -4.245 1.632 22 HB3 MET 22 2HB MET 22 4.202 -4.806 0.010 23 HG2 MET 22 1HG MET 22 6.100 -6.130 1.028 24 HG3 MET 22 2HG MET 22 5.520 -5.642 2.613 25 HE1 MET 22 3HE MET 22 3.771 -8.740 -0.264 26 HE2 MET 22 1HE MET 22 3.758 -7.035 -0.764 27 HE3 MET 22 2HE MET 22 5.294 -7.845 -0.372 28 H PHE 23 H PHE 23 5.911 -2.931 -1.545 29 HA PHE 23 HA PHE 23 4.390 -0.377 -1.685 30 HB2 PHE 23 1HB PHE 23 6.435 -0.397 -2.956 31 HB3 PHE 23 2HB PHE 23 6.110 -2.001 -3.599 32 HD1 PHE 23 1HD PHE 23 5.200 1.591 -3.870 33 HD2 PHE 23 2HD PHE 23 4.586 -2.352 -5.475 34 HE1 PHE 23 1HE PHE 23 4.147 2.554 -5.884 35 HE2 PHE 23 2HE PHE 23 3.522 -1.382 -7.479 36 HZ PHE 23 HZ PHE 23 3.295 1.091 -7.693 37 H ILE 24 H ILE 24 2.371 -0.315 -2.617 38 HA ILE 24 HA ILE 24 1.098 -2.936 -3.369 39 HB ILE 24 HB ILE 24 -0.343 -0.623 -2.048 40 HG12 ILE 24 1HG1 ILE 24 1.274 -1.234 -0.375 41 HG13 ILE 24 2HG1 ILE 24 -0.341 -1.728 0.077 42 HG21 ILE 24 1HG2 ILE 24 -1.662 -2.259 -3.341 43 HG22 ILE 24 2HG2 ILE 24 -1.022 -3.579 -2.353 44 HG23 ILE 24 3HG2 ILE 24 -2.042 -2.327 -1.611 45 HD11 ILE 24 3HD1 ILE 24 1.436 -3.368 0.689 46 HD12 ILE 24 1HD1 ILE 24 0.158 -4.056 -0.314 47 HD13 ILE 24 2HD1 ILE 24 1.736 -3.662 -1.027 48 H GLY 25 H GLY 25 1.113 -2.811 -5.577 49 HA2 GLY 25 1HA GLY 25 0.325 -0.289 -6.953 50 HA3 GLY 25 2HA GLY 25 1.030 -1.747 -7.679 51 H GLY 26 H GLY 26 -1.083 -0.479 -8.870 52 HA2 GLY 26 1HA GLY 26 -2.880 -1.230 -10.115 53 HA3 GLY 26 2HA GLY 26 -2.813 -2.777 -9.246 54 H LEU 27 H LEU 27 -3.190 0.069 -7.289 55 HA LEU 27 HA LEU 27 -5.683 -0.875 -6.175 56 HB2 LEU 27 1HB LEU 27 -4.309 1.831 -5.875 57 HB3 LEU 27 2HB LEU 27 -5.614 1.232 -4.877 58 HG LEU 27 HG LEU 27 -2.794 0.079 -4.981 59 HD11 LEU 27 1HD1 LEU 27 -3.089 2.271 -3.810 60 HD12 LEU 27 2HD1 LEU 27 -4.321 1.540 -2.779 61 HD13 LEU 27 3HD1 LEU 27 -2.642 0.959 -2.704 62 HD21 LEU 27 3HD2 LEU 27 -3.710 -1.228 -2.939 63 HD22 LEU 27 1HD2 LEU 27 -5.309 -0.927 -3.636 64 HD23 LEU 27 2HD2 LEU 27 -4.070 -1.798 -4.567 65 H SER 28 H SER 28 -7.588 0.562 -5.874 66 HA SER 28 HA SER 28 -8.602 1.587 -8.477 67 HB2 SER 28 1HB SER 28 -10.045 0.063 -7.244 68 HB3 SER 28 2HB SER 28 -9.917 1.058 -5.790 69 HG SER 28 HG SER 28 -11.849 1.397 -6.962 70 H TRP 29 H TRP 29 -9.397 3.729 -8.686 71 HA TRP 29 HA TRP 29 -8.215 5.823 -7.054 72 HB2 TRP 29 1HB TRP 29 -10.251 5.735 -9.280 73 HB3 TRP 29 2HB TRP 29 -9.873 7.227 -8.428 74 HD1 TRP 29 HD TRP 29 -6.824 5.114 -8.973 75 HE1 TRP 29 1HE TRP 29 -5.415 6.017 -10.889 76 HE3 TRP 29 3HE TRP 29 -10.194 8.429 -10.942 77 HZ2 TRP 29 2HZ TRP 29 -5.641 8.055 -12.932 78 HZ3 TRP 29 3HZ TRP 29 -9.580 9.806 -12.913 79 HH2 TRP 29 HH TRP 29 -7.309 9.638 -13.909 80 H GLN 30 H GLN 30 -10.725 3.733 -6.326 81 HA GLN 30 HA GLN 30 -11.934 5.647 -4.368 82 HB2 GLN 30 1HB GLN 30 -12.812 2.815 -4.972 83 HB3 GLN 30 2HB GLN 30 -13.687 4.053 -4.076 84 HG2 GLN 30 1HG GLN 30 -13.803 5.413 -6.219 85 HG3 GLN 30 2HG GLN 30 -13.145 4.010 -7.075 86 HE21 GLN 30 2HE2 GLN 30 -14.467 1.805 -6.347 87 HE22 GLN 30 1HE2 GLN 30 -16.206 2.042 -6.475 88 H THR 31 H THR 31 -9.319 3.462 -4.451 89 HA THR 31 HA THR 31 -9.714 2.155 -1.899 90 HB THR 31 HB THR 31 -7.155 2.592 -3.497 91 HG1 THR 31 1HG THR 31 -8.981 0.408 -3.390 92 HG21 THR 31 3HG2 THR 31 -6.471 0.466 -2.296 93 HG22 THR 31 1HG2 THR 31 -6.552 1.891 -1.260 94 HG23 THR 31 2HG2 THR 31 -7.859 0.684 -1.218 95 H THR 32 H THR 32 -8.962 2.646 0.082 96 HA THR 32 HA THR 32 -7.505 5.206 0.570 97 HB THR 32 HB THR 32 -8.715 5.385 2.700 98 HG1 THR 32 1HG THR 32 -10.585 3.988 2.925 99 HG21 THR 32 3HG2 THR 32 -10.867 6.096 1.877 100 HG22 THR 32 1HG2 THR 32 -9.644 6.498 0.659 101 HG23 THR 32 2HG2 THR 32 -10.712 5.097 0.417 102 H GLN 33 H GLN 33 -6.259 5.163 2.615 103 HA GLN 33 HA GLN 33 -4.687 2.715 2.793 104 HB2 GLN 33 1HB GLN 33 -3.438 3.977 4.566 105 HB3 GLN 33 2HB GLN 33 -3.440 4.615 2.934 106 HG2 GLN 33 1HG GLN 33 -5.277 6.250 3.695 107 HG3 GLN 33 2HG GLN 33 -4.881 5.740 5.342 108 HE21 GLN 33 2HE2 GLN 33 -3.430 7.241 6.278 109 HE22 GLN 33 1HE2 GLN 33 -2.210 8.110 5.359 110 H GLU 34 H GLU 34 -7.289 4.121 4.741 111 HA GLU 34 HA GLU 34 -7.236 2.164 6.829 112 HB2 GLU 34 1HB GLU 34 -9.703 3.473 5.597 113 HB3 GLU 34 2HB GLU 34 -9.548 2.739 7.189 114 HG2 GLU 34 1HG GLU 34 -9.326 4.890 7.840 115 HG3 GLU 34 2HG GLU 34 -7.629 4.602 7.482 116 H GLY 35 H GLY 35 -8.651 2.142 3.538 117 HA2 GLY 35 1HA GLY 35 -9.876 -0.459 3.655 118 HA3 GLY 35 2HA GLY 35 -9.443 0.463 2.196 119 H LEU 36 H LEU 36 -6.564 0.627 2.732 120 HA LEU 36 HA LEU 36 -5.662 -1.993 1.985 121 HB2 LEU 36 1HB LEU 36 -3.984 0.225 3.266 122 HB3 LEU 36 2HB LEU 36 -3.385 -1.209 2.469 123 HG LEU 36 HG LEU 36 -4.706 1.184 1.185 124 HD11 LEU 36 1HD1 LEU 36 -2.282 1.286 1.702 125 HD12 LEU 36 2HD1 LEU 36 -2.027 -0.190 0.747 126 HD13 LEU 36 3HD1 LEU 36 -2.584 1.290 -0.047 127 HD21 LEU 36 3HD2 LEU 36 -4.453 -0.009 -0.985 128 HD22 LEU 36 1HD2 LEU 36 -4.123 -1.512 -0.098 129 HD23 LEU 36 2HD2 LEU 36 -5.699 -0.693 0.060 130 H ARG 37 H ARG 37 -5.515 -0.388 5.240 131 HA ARG 37 HA ARG 37 -4.491 -2.689 6.566 132 HB2 ARG 37 1HB ARG 37 -4.630 -0.504 7.650 133 HB3 ARG 37 2HB ARG 37 -6.397 -0.542 7.598 134 HG2 ARG 37 1HG ARG 37 -6.455 -2.472 9.129 135 HG3 ARG 37 2HG ARG 37 -4.689 -2.579 9.102 136 HD2 ARG 37 1HD ARG 37 -4.635 -0.227 10.028 137 HD3 ARG 37 2HD ARG 37 -6.401 -0.298 10.134 138 HE ARG 37 HE ARG 37 -4.743 -2.362 11.552 139 HH11 ARG 37 1HH1 ARG 37 -6.846 0.482 11.907 140 HH12 ARG 37 2HH1 ARG 37 -7.186 0.118 13.573 141 HH21 ARG 37 1HH2 ARG 37 -5.306 -2.809 13.647 142 HH22 ARG 37 2HH2 ARG 37 -6.303 -1.696 14.554 143 H GLU 38 H GLU 38 -7.864 -1.849 5.811 144 HA GLU 38 HA GLU 38 -9.106 -4.013 7.067 145 HB2 GLU 38 1HB GLU 38 -9.995 -1.864 5.660 146 HB3 GLU 38 2HB GLU 38 -10.238 -3.107 4.431 147 HG2 GLU 38 1HG GLU 38 -11.501 -4.444 6.147 148 HG3 GLU 38 2HG GLU 38 -11.250 -3.118 7.294 149 H TYR 39 H TYR 39 -7.505 -3.933 3.892 150 HA TYR 39 HA TYR 39 -8.271 -6.690 3.203 151 HB2 TYR 39 1HB TYR 39 -8.122 -4.833 1.557 152 HB3 TYR 39 2HB TYR 39 -6.385 -4.746 1.827 153 HD1 TYR 39 2HD TYR 39 -9.118 -7.136 0.866 154 HD2 TYR 39 1HD TYR 39 -4.914 -6.206 0.642 155 HE1 TYR 39 2HE TYR 39 -8.757 -9.141 -0.552 156 HE2 TYR 39 1HE TYR 39 -4.543 -8.202 -0.776 157 HH TYR 39 HH TYR 39 -7.231 -10.470 -1.593 158 H PHE 40 H PHE 40 -5.425 -5.047 4.467 159 HA PHE 40 HA PHE 40 -3.775 -7.452 4.139 160 HB2 PHE 40 1HB PHE 40 -3.196 -4.574 4.811 161 HB3 PHE 40 2HB PHE 40 -1.975 -5.787 5.050 162 HD1 PHE 40 1HD PHE 40 -1.763 -7.543 2.933 163 HD2 PHE 40 2HD PHE 40 -3.205 -3.495 2.688 164 HE1 PHE 40 1HE PHE 40 -1.381 -7.551 0.486 165 HE2 PHE 40 2HE PHE 40 -2.824 -3.504 0.247 166 HZ PHE 40 HZ PHE 40 -1.928 -5.535 -0.867 167 H GLY 41 H GLY 41 -5.523 -6.065 6.786 168 HA2 GLY 41 1HA GLY 41 -4.026 -7.111 8.958 169 HA3 GLY 41 2HA GLY 41 -5.749 -6.712 8.972 170 H GLN 42 H GLN 42 -5.772 -8.916 6.644 171 HA GLN 42 HA GLN 42 -6.317 -11.243 8.370 172 HB2 GLN 42 1HB GLN 42 -6.743 -12.342 6.068 173 HB3 GLN 42 2HB GLN 42 -7.889 -11.149 6.679 174 HG2 GLN 42 1HG GLN 42 -7.092 -9.460 5.204 175 HG3 GLN 42 2HG GLN 42 -5.683 -10.408 4.725 176 HE21 GLN 42 2HE2 GLN 42 -6.958 -9.463 2.664 177 HE22 GLN 42 1HE2 GLN 42 -8.004 -10.663 1.898 178 H PHE 43 H PHE 43 -3.529 -10.032 6.698 179 HA PHE 43 HA PHE 43 -2.186 -12.691 6.812 180 HB2 PHE 43 1HB PHE 43 -1.211 -10.066 5.635 181 HB3 PHE 43 2HB PHE 43 -0.487 -11.649 5.439 182 HD1 PHE 43 2HD PHE 43 -1.987 -13.506 4.296 183 HD2 PHE 43 1HD PHE 43 -2.798 -9.295 4.089 184 HE1 PHE 43 2HE PHE 43 -3.506 -13.895 2.372 185 HE2 PHE 43 1HE PHE 43 -4.308 -9.667 2.150 186 HZ PHE 43 HZ PHE 43 -4.701 -11.983 1.327 187 H GLY 44 H GLY 44 -2.098 -9.414 8.148 188 HA2 GLY 44 1HA GLY 44 -1.236 -10.177 10.713 189 HA3 GLY 44 2HA GLY 44 0.197 -9.637 9.851 190 H GLU 45 H GLU 45 -1.046 -8.323 12.149 191 HA GLU 45 HA GLU 45 -2.524 -6.018 11.323 192 HB2 GLU 45 1HB GLU 45 -2.460 -6.817 13.648 193 HB3 GLU 45 2HB GLU 45 -0.742 -6.428 13.755 194 HG2 GLU 45 1HG GLU 45 -2.136 -4.736 14.846 195 HG3 GLU 45 2HG GLU 45 -1.219 -4.036 13.524 196 H VAL 46 H VAL 46 -1.853 -3.863 10.995 197 HA VAL 46 HA VAL 46 0.800 -3.759 9.665 198 HB VAL 46 HB VAL 46 -0.047 -2.127 8.200 199 HG11 VAL 46 1HG1 VAL 46 -0.502 -4.518 7.663 200 HG12 VAL 46 2HG1 VAL 46 -2.118 -4.357 8.390 201 HG13 VAL 46 3HG1 VAL 46 -1.696 -3.418 6.953 202 HG21 VAL 46 3HG2 VAL 46 -2.444 -1.463 8.141 203 HG22 VAL 46 1HG2 VAL 46 -2.611 -2.136 9.781 204 HG23 VAL 46 2HG2 VAL 46 -1.517 -0.768 9.479 205 H LYS 47 H LYS 47 2.246 -2.335 10.093 206 HA LYS 47 HA LYS 47 2.142 -0.741 12.569 207 HB2 LYS 47 1HB LYS 47 3.968 -2.343 11.949 208 HB3 LYS 47 2HB LYS 47 4.400 -1.306 10.587 209 HG2 LYS 47 1HG LYS 47 5.036 0.502 12.087 210 HG3 LYS 47 2HG LYS 47 4.347 -0.356 13.477 211 HD2 LYS 47 1HD LYS 47 6.036 -2.178 13.155 212 HD3 LYS 47 2HD LYS 47 6.758 -1.237 11.828 213 HE2 LYS 47 1HE LYS 47 7.167 0.648 13.408 214 HE3 LYS 47 2HE LYS 47 6.428 -0.288 14.715 215 HZ1 LYS 47 3HZ LYS 47 8.845 -0.451 14.767 216 HZ2 LYS 47 1HZ LYS 47 8.210 -1.925 14.465 217 HZ3 LYS 47 2HZ LYS 47 8.895 -1.061 13.253 218 H GLU 48 H GLU 48 1.937 -0.230 9.156 219 HA GLU 48 HA GLU 48 1.204 2.550 9.392 220 HB2 GLU 48 1HB GLU 48 3.651 2.843 9.470 221 HB3 GLU 48 2HB GLU 48 3.840 1.843 8.035 222 HG2 GLU 48 1HG GLU 48 2.646 3.533 6.675 223 HG3 GLU 48 2HG GLU 48 2.410 4.527 8.119 224 H CYS 49 H CYS 49 0.082 3.194 7.519 225 HA CYS 49 HA CYS 49 0.189 1.564 5.093 226 HB2 CYS 49 1HB CYS 49 -2.303 1.294 5.016 227 HB3 CYS 49 2HB CYS 49 -1.510 0.350 6.283 228 HG CYS 49 HG CYS 49 -1.970 2.034 8.245 229 H LEU 50 H LEU 50 -0.235 2.697 3.281 230 HA LEU 50 HA LEU 50 -0.924 5.589 3.456 231 HB2 LEU 50 1HB LEU 50 1.607 4.284 2.405 232 HB3 LEU 50 2HB LEU 50 1.110 5.889 1.906 233 HG LEU 50 HG LEU 50 1.796 5.114 4.768 234 HD11 LEU 50 1HD1 LEU 50 3.740 5.069 3.248 235 HD12 LEU 50 2HD1 LEU 50 3.331 6.689 2.643 236 HD13 LEU 50 3HD1 LEU 50 3.837 6.466 4.333 237 HD21 LEU 50 3HD2 LEU 50 1.802 7.588 5.133 238 HD22 LEU 50 1HD2 LEU 50 1.182 7.823 3.482 239 HD23 LEU 50 2HD2 LEU 50 0.192 6.999 4.710 240 H VAL 51 H VAL 51 -1.879 6.402 1.682 241 HA VAL 51 HA VAL 51 -1.640 4.994 -0.946 242 HB VAL 51 HB VAL 51 -4.244 6.087 0.212 243 HG11 VAL 51 1HG1 VAL 51 -4.056 6.789 -2.154 244 HG12 VAL 51 2HG1 VAL 51 -3.640 5.128 -2.626 245 HG13 VAL 51 3HG1 VAL 51 -5.254 5.506 -1.988 246 HG21 VAL 51 3HG2 VAL 51 -5.108 3.819 -0.286 247 HG22 VAL 51 1HG2 VAL 51 -3.498 3.320 -0.841 248 HG23 VAL 51 2HG2 VAL 51 -3.766 3.748 0.862 249 H MET 52 H MET 52 -0.972 6.347 -2.478 250 HA MET 52 HA MET 52 -0.202 9.050 -1.612 251 HB2 MET 52 1HB MET 52 0.520 7.358 -4.031 252 HB3 MET 52 2HB MET 52 1.184 8.968 -3.685 253 HG2 MET 52 1HG MET 52 1.440 6.670 -1.720 254 HG3 MET 52 2HG MET 52 2.613 7.025 -2.964 255 HE1 MET 52 3HE MET 52 2.476 8.708 1.104 256 HE2 MET 52 1HE MET 52 1.004 8.098 0.307 257 HE3 MET 52 2HE MET 52 2.447 7.056 0.434 258 H ARG 53 H ARG 53 -2.769 9.298 -1.699 259 HA ARG 53 HA ARG 53 -3.745 9.961 -4.350 260 HB2 ARG 53 1HB ARG 53 -5.922 10.213 -3.357 261 HB3 ARG 53 2HB ARG 53 -5.171 8.742 -2.750 262 HG2 ARG 53 1HG ARG 53 -4.605 9.919 -0.623 263 HG3 ARG 53 2HG ARG 53 -5.417 11.377 -1.241 264 HD2 ARG 53 1HD ARG 53 -7.527 10.119 -1.466 265 HD3 ARG 53 2HD ARG 53 -6.733 8.658 -0.842 266 HE ARG 53 HE ARG 53 -6.278 10.628 1.078 267 HH11 ARG 53 1HH1 ARG 53 -9.178 9.105 -0.267 268 HH12 ARG 53 2HH1 ARG 53 -10.093 9.361 1.190 269 HH21 ARG 53 1HH2 ARG 53 -7.514 10.908 2.926 270 HH22 ARG 53 2HH2 ARG 53 -9.156 10.348 2.974 271 H ASP 54 H ASP 54 -4.685 11.880 -5.041 272 HA ASP 54 HA ASP 54 -3.583 14.393 -3.886 273 HB2 ASP 54 1HB ASP 54 -5.138 13.759 -6.416 274 HB3 ASP 54 2HB ASP 54 -4.902 15.409 -5.845 275 HA PRO 55 HA PRO 55 -7.343 14.630 -1.501 276 HB2 PRO 55 1HB PRO 55 -7.049 17.037 -0.256 277 HB3 PRO 55 2HB PRO 55 -5.995 15.634 0.096 278 HG2 PRO 55 1HG PRO 55 -5.439 17.944 -1.801 279 HG3 PRO 55 2HG PRO 55 -4.378 17.302 -0.504 280 HD2 PRO 55 1HD PRO 55 -4.097 16.527 -3.102 281 HD3 PRO 55 2HD PRO 55 -3.857 15.370 -1.757 282 H LEU 56 H LEU 56 -6.686 16.888 -4.084 283 HA LEU 56 HA LEU 56 -9.169 18.389 -3.905 284 HB2 LEU 56 1HB LEU 56 -7.086 18.021 -6.109 285 HB3 LEU 56 2HB LEU 56 -8.405 19.172 -6.169 286 HG LEU 56 HG LEU 56 -6.127 19.196 -4.137 287 HD11 LEU 56 1HD1 LEU 56 -5.424 19.789 -6.426 288 HD12 LEU 56 2HD1 LEU 56 -6.706 21.017 -6.512 289 HD13 LEU 56 3HD1 LEU 56 -5.370 21.198 -5.353 290 HD21 LEU 56 3HD2 LEU 56 -6.990 21.460 -3.527 291 HD22 LEU 56 1HD2 LEU 56 -8.416 21.175 -4.550 292 HD23 LEU 56 2HD2 LEU 56 -8.124 20.175 -3.106 293 H THR 57 H THR 57 -8.164 15.496 -5.584 294 HA THR 57 HA THR 57 -10.800 15.228 -6.994 295 HB THR 57 HB THR 57 -9.477 14.062 -8.742 296 HG1 THR 57 1HG THR 57 -7.153 14.293 -8.501 297 HG21 THR 57 3HG2 THR 57 -8.393 15.980 -9.719 298 HG22 THR 57 1HG2 THR 57 -9.844 16.555 -8.886 299 HG23 THR 57 2HG2 THR 57 -8.245 16.790 -8.146 300 H LYS 58 H LYS 58 -8.736 13.732 -4.733 301 HA LYS 58 HA LYS 58 -8.598 11.773 -3.696 302 HB2 LYS 58 1HB LYS 58 -11.458 11.485 -4.678 303 HB3 LYS 58 2HB LYS 58 -10.662 10.242 -3.737 304 HG2 LYS 58 1HG LYS 58 -11.970 11.614 -2.290 305 HG3 LYS 58 2HG LYS 58 -10.264 11.771 -1.880 306 HD2 LYS 58 1HD LYS 58 -10.177 13.991 -2.889 307 HD3 LYS 58 2HD LYS 58 -11.830 13.810 -3.526 308 HE2 LYS 58 1HE LYS 58 -12.693 13.668 -1.203 309 HE3 LYS 58 2HE LYS 58 -11.044 13.794 -0.572 310 HZ1 LYS 58 3HZ LYS 58 -12.147 15.942 -0.535 311 HZ2 LYS 58 1HZ LYS 58 -10.894 16.001 -1.587 312 HZ3 LYS 58 2HZ LYS 58 -12.433 15.896 -2.143 313 H ARG 59 H ARG 59 -8.133 11.972 -6.851 314 HA ARG 59 HA ARG 59 -7.841 9.310 -7.860 315 HB2 ARG 59 1HB ARG 59 -6.140 11.815 -8.165 316 HB3 ARG 59 2HB ARG 59 -5.806 10.310 -9.032 317 HG2 ARG 59 1HG ARG 59 -8.093 10.418 -10.030 318 HG3 ARG 59 2HG ARG 59 -8.325 12.008 -9.312 319 HD2 ARG 59 1HD ARG 59 -6.040 11.308 -11.232 320 HD3 ARG 59 2HD ARG 59 -7.586 11.965 -11.743 321 HE ARG 59 HE ARG 59 -7.055 14.053 -10.947 322 HH11 ARG 59 1HH1 ARG 59 -4.346 11.917 -10.034 323 HH12 ARG 59 2HH1 ARG 59 -3.545 13.245 -9.208 324 HH21 ARG 59 1HH2 ARG 59 -5.762 15.688 -10.009 325 HH22 ARG 59 2HH2 ARG 59 -4.275 15.203 -9.216 326 H SER 60 H SER 60 -6.710 7.636 -7.036 327 HA SER 60 HA SER 60 -4.846 8.017 -4.790 328 HB2 SER 60 1HB SER 60 -5.027 5.593 -4.601 329 HB3 SER 60 2HB SER 60 -6.645 6.285 -4.821 330 HG SER 60 HG SER 60 -6.446 4.552 -6.207 331 H ARG 61 H ARG 61 -4.388 8.002 -8.100 332 HA ARG 61 HA ARG 61 -2.703 7.612 -9.554 333 HB2 ARG 61 1HB ARG 61 -0.865 7.304 -7.137 334 HB3 ARG 61 2HB ARG 61 -0.364 7.442 -8.815 335 HG2 ARG 61 1HG ARG 61 -1.287 9.687 -8.988 336 HG3 ARG 61 2HG ARG 61 -1.898 9.612 -7.324 337 HD2 ARG 61 1HD ARG 61 0.357 9.459 -6.416 338 HD3 ARG 61 2HD ARG 61 1.036 9.184 -8.022 339 HE ARG 61 HE ARG 61 1.133 11.391 -8.404 340 HH11 ARG 61 1HH1 ARG 61 -1.069 11.042 -5.627 341 HH12 ARG 61 2HH1 ARG 61 -1.407 12.775 -5.633 342 HH21 ARG 61 1HH2 ARG 61 0.601 13.616 -8.243 343 HH22 ARG 61 2HH2 ARG 61 -0.561 14.107 -7.020 344 H GLY 62 H GLY 62 -4.099 5.306 -7.775 345 HA2 GLY 62 1HA GLY 62 -4.327 3.043 -8.027 346 HA3 GLY 62 2HA GLY 62 -3.169 3.091 -9.376 347 H PHE 63 H PHE 63 -2.047 4.354 -6.259 348 HA PHE 63 HA PHE 63 -0.995 1.768 -5.472 349 HB2 PHE 63 1HB PHE 63 1.245 2.013 -5.884 350 HB3 PHE 63 2HB PHE 63 0.547 2.645 -7.345 351 HD1 PHE 63 1HD PHE 63 0.623 5.166 -7.773 352 HD2 PHE 63 2HD PHE 63 2.485 3.352 -4.333 353 HE1 PHE 63 1HE PHE 63 1.937 7.252 -7.372 354 HE2 PHE 63 2HE PHE 63 3.821 5.403 -3.984 355 HZ PHE 63 HZ PHE 63 3.529 7.352 -5.438 356 H GLY 64 H GLY 64 0.250 1.678 -3.618 357 HA2 GLY 64 1HA GLY 64 0.604 3.996 -1.853 358 HA3 GLY 64 2HA GLY 64 -0.595 2.837 -1.311 359 H PHE 65 H PHE 65 0.756 2.524 0.526 360 HA PHE 65 HA PHE 65 2.837 0.446 0.200 361 HB2 PHE 65 1HB PHE 65 3.297 3.151 1.513 362 HB3 PHE 65 2HB PHE 65 4.239 1.742 1.919 363 HD1 PHE 65 2HD PHE 65 3.549 4.234 -0.777 364 HD2 PHE 65 1HD PHE 65 5.902 0.819 0.465 365 HE1 PHE 65 2HE PHE 65 5.203 4.706 -2.537 366 HE2 PHE 65 1HE PHE 65 7.541 1.305 -1.326 367 HZ PHE 65 HZ PHE 65 7.191 3.270 -2.830 368 H VAL 66 H VAL 66 3.101 -0.854 2.015 369 HA VAL 66 HA VAL 66 1.574 -0.221 4.490 370 HB VAL 66 HB VAL 66 1.235 -2.825 2.953 371 HG11 VAL 66 1HG1 VAL 66 1.430 -3.383 5.347 372 HG12 VAL 66 2HG1 VAL 66 0.246 -2.118 5.751 373 HG13 VAL 66 3HG1 VAL 66 -0.242 -3.551 4.820 374 HG21 VAL 66 3HG2 VAL 66 -1.178 -2.266 3.054 375 HG22 VAL 66 1HG2 VAL 66 -0.803 -0.741 3.879 376 HG23 VAL 66 2HG2 VAL 66 -0.283 -1.010 2.206 377 H THR 67 H THR 67 2.530 -0.853 6.303 378 HA THR 67 HA THR 67 5.063 -2.467 6.210 379 HB THR 67 HB THR 67 4.416 -0.381 8.323 380 HG1 THR 67 1HG THR 67 4.518 0.572 6.243 381 HG21 THR 67 3HG2 THR 67 6.829 -0.410 8.690 382 HG22 THR 67 1HG2 THR 67 6.203 -2.063 8.824 383 HG23 THR 67 2HG2 THR 67 7.058 -1.553 7.351 384 H PHE 68 H PHE 68 5.104 -4.178 7.629 385 HA PHE 68 HA PHE 68 2.568 -4.739 9.112 386 HB2 PHE 68 1HB PHE 68 4.704 -6.547 7.952 387 HB3 PHE 68 2HB PHE 68 3.412 -7.105 9.006 388 HD1 PHE 68 2HD PHE 68 4.091 -5.566 5.671 389 HD2 PHE 68 1HD PHE 68 1.166 -7.415 8.244 390 HE1 PHE 68 2HE PHE 68 2.534 -5.784 3.750 391 HE2 PHE 68 1HE PHE 68 -0.387 -7.629 6.324 392 HZ PHE 68 HZ PHE 68 0.296 -6.809 4.073 393 H MET 69 H MET 69 2.574 -5.581 11.197 394 HA MET 69 HA MET 69 4.644 -4.706 13.017 395 HB2 MET 69 1HB MET 69 2.274 -6.589 13.343 396 HB3 MET 69 2HB MET 69 3.318 -6.090 14.675 397 HG2 MET 69 1HG MET 69 1.694 -4.179 12.950 398 HG3 MET 69 2HG MET 69 1.234 -4.778 14.540 399 HE1 MET 69 3HE MET 69 1.934 -1.103 15.419 400 HE2 MET 69 1HE MET 69 0.994 -1.891 14.129 401 HE3 MET 69 2HE MET 69 0.923 -2.517 15.788 402 H ASP 70 H ASP 70 4.483 -7.502 11.041 403 HA ASP 70 HA ASP 70 7.065 -8.387 12.011 404 HB2 ASP 70 1HB ASP 70 5.287 -9.612 13.465 405 HB3 ASP 70 2HB ASP 70 4.874 -10.482 11.985 406 H GLN 71 H GLN 71 8.102 -9.830 10.537 407 HA GLN 71 HA GLN 71 7.527 -9.429 7.756 408 HB2 GLN 71 1HB GLN 71 9.774 -9.836 8.848 409 HB3 GLN 71 2HB GLN 71 9.280 -11.496 9.139 410 HG2 GLN 71 1HG GLN 71 10.737 -11.374 7.188 411 HG3 GLN 71 2HG GLN 71 9.139 -11.897 6.692 412 HE21 GLN 71 2HE2 GLN 71 10.188 -11.205 4.523 413 HE22 GLN 71 1HE2 GLN 71 9.965 -9.520 4.077 414 H ALA 72 H ALA 72 6.504 -11.899 10.056 415 HA ALA 72 HA ALA 72 5.735 -13.961 8.282 416 HB1 ALA 72 1HB ALA 72 5.851 -14.132 10.758 417 HB2 ALA 72 2HB ALA 72 4.429 -13.062 10.887 418 HB3 ALA 72 3HB ALA 72 4.278 -14.665 10.135 419 H GLY 73 H GLY 73 4.189 -10.831 8.696 420 HA2 GLY 73 1HA GLY 73 1.734 -11.676 7.272 421 HA3 GLY 73 2HA GLY 73 2.172 -10.023 7.776 422 H VAL 74 H VAL 74 4.782 -10.046 6.555 423 HA VAL 74 HA VAL 74 4.171 -9.258 3.838 424 HB VAL 74 HB VAL 74 6.831 -9.799 5.215 425 HG11 VAL 74 1HG1 VAL 74 7.252 -10.154 2.866 426 HG12 VAL 74 2HG1 VAL 74 6.364 -8.682 2.425 427 HG13 VAL 74 3HG1 VAL 74 7.893 -8.573 3.315 428 HG21 VAL 74 3HG2 VAL 74 7.059 -7.345 5.197 429 HG22 VAL 74 1HG2 VAL 74 5.451 -7.198 4.461 430 HG23 VAL 74 2HG2 VAL 74 5.632 -7.852 6.104 431 H ASP 75 H ASP 75 5.775 -12.143 5.280 432 HA ASP 75 HA ASP 75 6.355 -13.604 2.975 433 HB2 ASP 75 1HB ASP 75 7.022 -14.144 5.321 434 HB3 ASP 75 2HB ASP 75 5.370 -14.625 5.677 435 H LYS 76 H LYS 76 3.269 -13.641 4.827 436 HA LYS 76 HA LYS 76 1.976 -15.579 3.152 437 HB2 LYS 76 1HB LYS 76 0.895 -13.438 5.018 438 HB3 LYS 76 2HB LYS 76 -0.104 -14.684 4.249 439 HG2 LYS 76 1HG LYS 76 1.062 -16.466 5.374 440 HG3 LYS 76 2HG LYS 76 2.281 -15.344 6.016 441 HD2 LYS 76 1HD LYS 76 0.516 -14.163 7.310 442 HD3 LYS 76 2HD LYS 76 -0.718 -15.227 6.625 443 HE2 LYS 76 1HE LYS 76 -0.195 -15.949 8.863 444 HE3 LYS 76 2HE LYS 76 0.333 -17.179 7.706 445 HZ1 LYS 76 3HZ LYS 76 1.992 -16.664 9.478 446 HZ2 LYS 76 1HZ LYS 76 2.592 -16.422 7.973 447 HZ3 LYS 76 2HZ LYS 76 2.144 -15.140 8.873 448 H VAL 77 H VAL 77 2.167 -12.043 2.870 449 HA VAL 77 HA VAL 77 0.116 -11.873 0.843 450 HB VAL 77 HB VAL 77 2.357 -9.950 1.536 451 HG11 VAL 77 1HG1 VAL 77 1.707 -9.507 -0.814 452 HG12 VAL 77 2HG1 VAL 77 -0.004 -9.482 -0.342 453 HG13 VAL 77 3HG1 VAL 77 1.108 -8.234 0.251 454 HG21 VAL 77 3HG2 VAL 77 0.549 -8.649 2.583 455 HG22 VAL 77 1HG2 VAL 77 -0.663 -9.815 2.009 456 HG23 VAL 77 2HG2 VAL 77 0.508 -10.289 3.242 457 H LEU 78 H LEU 78 3.681 -12.285 0.709 458 HA LEU 78 HA LEU 78 3.875 -12.240 -2.182 459 HB2 LEU 78 1HB LEU 78 5.638 -13.580 -0.097 460 HB3 LEU 78 2HB LEU 78 6.110 -13.207 -1.751 461 HG LEU 78 HG LEU 78 5.321 -11.063 0.272 462 HD11 LEU 78 1HD1 LEU 78 7.184 -12.404 1.087 463 HD12 LEU 78 2HD1 LEU 78 8.043 -12.216 -0.455 464 HD13 LEU 78 3HD1 LEU 78 7.772 -10.796 0.592 465 HD21 LEU 78 3HD2 LEU 78 6.532 -9.556 -1.248 466 HD22 LEU 78 1HD2 LEU 78 6.812 -10.898 -2.380 467 HD23 LEU 78 2HD2 LEU 78 5.159 -10.317 -2.056 468 H ALA 79 H ALA 79 3.473 -14.834 0.205 469 HA ALA 79 HA ALA 79 3.765 -16.982 -1.589 470 HB1 ALA 79 1HB ALA 79 4.006 -17.148 0.857 471 HB2 ALA 79 2HB ALA 79 2.260 -16.869 1.062 472 HB3 ALA 79 3HB ALA 79 2.841 -18.341 0.259 473 H GLN 80 H GLN 80 0.998 -14.903 -1.306 474 HA GLN 80 HA GLN 80 -0.892 -16.894 -2.428 475 HB2 GLN 80 1HB GLN 80 -1.573 -15.467 -0.558 476 HB3 GLN 80 2HB GLN 80 -1.286 -14.021 -1.529 477 HG2 GLN 80 1HG GLN 80 -3.061 -14.638 -3.078 478 HG3 GLN 80 2HG GLN 80 -3.253 -16.218 -2.320 479 HE21 GLN 80 2HE2 GLN 80 -4.845 -13.380 -2.584 480 HE22 GLN 80 1HE2 GLN 80 -5.643 -13.379 -1.009 481 H SER 81 H SER 81 -1.832 -16.789 -4.453 482 HA SER 81 HA SER 81 -0.059 -15.855 -6.521 483 HB2 SER 81 1HB SER 81 -1.826 -16.982 -7.947 484 HB3 SER 81 2HB SER 81 -1.055 -17.999 -6.712 485 HG SER 81 HG SER 81 -3.359 -18.257 -6.766 486 H ARG 82 H ARG 82 -3.045 -14.617 -5.267 487 HA ARG 82 HA ARG 82 -3.001 -12.292 -7.091 488 HB2 ARG 82 1HB ARG 82 -4.284 -13.986 -8.353 489 HB3 ARG 82 2HB ARG 82 -5.391 -14.191 -6.988 490 HG2 ARG 82 1HG ARG 82 -6.167 -11.868 -7.225 491 HG3 ARG 82 2HG ARG 82 -4.956 -11.568 -8.485 492 HD2 ARG 82 1HD ARG 82 -6.096 -13.190 -9.954 493 HD3 ARG 82 2HD ARG 82 -7.281 -13.531 -8.691 494 HE ARG 82 HE ARG 82 -7.010 -11.049 -10.307 495 HH11 ARG 82 1HH1 ARG 82 -8.909 -12.668 -7.773 496 HH12 ARG 82 2HH1 ARG 82 -10.119 -11.403 -7.788 497 HH21 ARG 82 1HH2 ARG 82 -8.570 -9.487 -10.213 498 HH22 ARG 82 2HH2 ARG 82 -10.003 -9.721 -9.239 499 H HIS 83 H HIS 83 -4.084 -10.505 -6.346 500 HA HIS 83 HA HIS 83 -5.622 -10.652 -3.810 501 HB2 HIS 83 1HB HIS 83 -3.312 -8.776 -4.451 502 HB3 HIS 83 2HB HIS 83 -4.451 -8.515 -3.128 503 HD1 HIS 83 1HD HIS 83 -4.396 -10.480 -1.146 504 HD2 HIS 83 2HD HIS 83 -1.307 -10.423 -3.999 505 HE1 HIS 83 1HE HIS 83 -2.483 -11.879 -0.173 506 H GLU 84 H GLU 84 -7.137 -8.894 -3.536 507 HA GLU 84 HA GLU 84 -7.792 -7.218 -5.855 508 HB2 GLU 84 1HB GLU 84 -8.599 -9.358 -6.598 509 HB3 GLU 84 2HB GLU 84 -9.427 -9.652 -5.063 510 HG2 GLU 84 1HG GLU 84 -11.071 -7.946 -5.527 511 HG3 GLU 84 2HG GLU 84 -10.123 -7.321 -6.887 512 H LEU 85 H LEU 85 -8.742 -5.437 -5.237 513 HA LEU 85 HA LEU 85 -10.348 -5.228 -2.767 514 HB2 LEU 85 1HB LEU 85 -7.991 -4.975 -2.057 515 HB3 LEU 85 2HB LEU 85 -7.745 -3.731 -3.289 516 HG LEU 85 HG LEU 85 -9.366 -2.253 -2.088 517 HD11 LEU 85 1HD1 LEU 85 -10.810 -3.790 -0.917 518 HD12 LEU 85 2HD1 LEU 85 -9.437 -4.585 -0.127 519 HD13 LEU 85 3HD1 LEU 85 -9.887 -2.935 0.335 520 HD21 LEU 85 3HD2 LEU 85 -7.862 -1.757 -0.198 521 HD22 LEU 85 1HD2 LEU 85 -7.074 -3.338 -0.389 522 HD23 LEU 85 2HD2 LEU 85 -6.940 -2.113 -1.670 523 H ASP 86 H ASP 86 -12.003 -3.871 -3.105 524 HA ASP 86 HA ASP 86 -13.556 -2.700 -4.225 525 HB2 ASP 86 1HB ASP 86 -11.930 -0.855 -3.693 526 HB3 ASP 86 2HB ASP 86 -11.302 -0.994 -5.335 527 H SER 87 H SER 87 -12.674 -5.070 -5.464 528 HA SER 87 HA SER 87 -12.897 -6.326 -7.348 529 HB2 SER 87 1HB SER 87 -14.524 -4.008 -8.438 530 HB3 SER 87 2HB SER 87 -14.501 -5.670 -9.039 531 HG SER 87 HG SER 87 -16.279 -5.269 -7.613 532 H LYS 88 H LYS 88 -10.612 -4.351 -7.173 533 HA LYS 88 HA LYS 88 -9.687 -4.518 -10.022 534 HB2 LYS 88 1HB LYS 88 -9.240 -2.502 -7.802 535 HB3 LYS 88 2HB LYS 88 -7.937 -2.789 -8.939 536 HG2 LYS 88 1HG LYS 88 -10.728 -2.174 -9.956 537 HG3 LYS 88 2HG LYS 88 -9.644 -0.879 -9.413 538 HD2 LYS 88 1HD LYS 88 -7.916 -1.599 -11.007 539 HD3 LYS 88 2HD LYS 88 -8.969 -2.902 -11.596 540 HE2 LYS 88 1HE LYS 88 -10.617 -1.284 -12.397 541 HE3 LYS 88 2HE LYS 88 -9.730 0.051 -11.656 542 HZ1 LYS 88 3HZ LYS 88 -9.192 -0.051 -13.988 543 HZ2 LYS 88 1HZ LYS 88 -7.847 -0.509 -13.162 544 HZ3 LYS 88 2HZ LYS 88 -8.771 -1.629 -13.905 545 H THR 89 H THR 89 -8.019 -5.856 -10.395 546 HA THR 89 HA THR 89 -6.848 -7.556 -8.366 547 HB THR 89 HB THR 89 -5.762 -6.953 -11.150 548 HG1 THR 89 1HG THR 89 -7.110 -8.478 -11.885 549 HG21 THR 89 3HG2 THR 89 -4.910 -9.303 -10.938 550 HG22 THR 89 1HG2 THR 89 -4.207 -8.224 -9.725 551 HG23 THR 89 2HG2 THR 89 -5.504 -9.341 -9.259 552 H ILE 90 H ILE 90 -5.339 -6.943 -6.906 553 HA ILE 90 HA ILE 90 -3.625 -4.565 -7.536 554 HB ILE 90 HB ILE 90 -3.298 -4.196 -5.220 555 HG12 ILE 90 1HG1 ILE 90 -5.066 -6.565 -4.570 556 HG13 ILE 90 2HG1 ILE 90 -3.303 -6.493 -4.392 557 HG21 ILE 90 1HG2 ILE 90 -5.365 -3.289 -6.369 558 HG22 ILE 90 2HG2 ILE 90 -6.289 -4.643 -5.688 559 HG23 ILE 90 3HG2 ILE 90 -5.564 -3.451 -4.621 560 HD11 ILE 90 3HD1 ILE 90 -4.175 -6.060 -2.244 561 HD12 ILE 90 1HD1 ILE 90 -3.618 -4.490 -2.872 562 HD13 ILE 90 2HD1 ILE 90 -5.355 -4.889 -2.861 563 H ASP 91 H ASP 91 -1.443 -4.584 -6.879 564 HA ASP 91 HA ASP 91 -0.143 -7.280 -7.035 565 HB2 ASP 91 1HB ASP 91 -0.277 -6.250 -9.238 566 HB3 ASP 91 2HB ASP 91 0.485 -4.784 -8.618 567 HA PRO 92 HA PRO 92 1.867 -4.978 -3.634 568 HB2 PRO 92 1HB PRO 92 1.412 -6.758 -1.597 569 HB3 PRO 92 2HB PRO 92 0.275 -5.485 -2.103 570 HG2 PRO 92 1HG PRO 92 0.044 -8.407 -2.554 571 HG3 PRO 92 2HG PRO 92 -1.226 -7.131 -2.546 572 HD2 PRO 92 1HD PRO 92 0.082 -8.326 -4.817 573 HD3 PRO 92 2HD PRO 92 -1.176 -7.068 -4.772 574 H LYS 93 H LYS 93 3.941 -5.184 -3.031 575 HA LYS 93 HA LYS 93 5.472 -7.687 -3.323 576 HB2 LYS 93 1HB LYS 93 6.875 -6.779 -5.134 577 HB3 LYS 93 2HB LYS 93 5.185 -6.883 -5.627 578 HG2 LYS 93 1HG LYS 93 4.923 -4.436 -5.111 579 HG3 LYS 93 2HG LYS 93 6.632 -4.365 -4.692 580 HD2 LYS 93 1HD LYS 93 6.524 -3.479 -6.823 581 HD3 LYS 93 2HD LYS 93 7.136 -5.105 -7.101 582 HE2 LYS 93 1HE LYS 93 4.163 -4.405 -7.308 583 HE3 LYS 93 2HE LYS 93 5.269 -4.087 -8.640 584 HZ1 LYS 93 3HZ LYS 93 4.192 -6.192 -8.917 585 HZ2 LYS 93 1HZ LYS 93 5.801 -6.453 -8.713 586 HZ3 LYS 93 2HZ LYS 93 4.737 -6.763 -7.494 587 H VAL 94 H VAL 94 7.819 -7.346 -2.819 588 HA VAL 94 HA VAL 94 8.046 -5.988 -0.306 589 HB VAL 94 HB VAL 94 10.307 -7.062 -2.042 590 HG11 VAL 94 1HG1 VAL 94 11.203 -5.590 -0.298 591 HG12 VAL 94 2HG1 VAL 94 10.203 -6.388 0.939 592 HG13 VAL 94 3HG1 VAL 94 11.529 -7.264 0.139 593 HG21 VAL 94 3HG2 VAL 94 10.156 -9.064 -0.532 594 HG22 VAL 94 1HG2 VAL 94 8.663 -8.392 0.159 595 HG23 VAL 94 2HG2 VAL 94 8.739 -8.863 -1.557 596 H ALA 95 H ALA 95 8.825 -4.025 0.285 597 HA ALA 95 HA ALA 95 9.053 -1.935 -1.715 598 HB1 ALA 95 1HB ALA 95 7.983 -1.591 0.481 599 HB2 ALA 95 2HB ALA 95 9.529 -1.925 1.293 600 HB3 ALA 95 3HB ALA 95 9.356 -0.486 0.263 601 H PHE 96 H PHE 96 10.875 -0.976 -2.555 602 HA PHE 96 HA PHE 96 13.147 -2.420 -2.883 603 HB2 PHE 96 1HB PHE 96 12.944 0.599 -2.997 604 HB3 PHE 96 2HB PHE 96 14.259 -0.330 -3.678 605 HD1 PHE 96 2HD PHE 96 12.745 -2.608 -5.017 606 HD2 PHE 96 1HD PHE 96 12.075 1.660 -4.932 607 HE1 PHE 96 2HE PHE 96 11.652 -2.729 -7.230 608 HE2 PHE 96 1HE PHE 96 11.006 1.530 -7.159 609 HZ PHE 96 HZ PHE 96 10.781 -0.664 -8.312 610 HA PRO 97 HA PRO 97 15.539 -1.816 0.897 611 HB2 PRO 97 1HB PRO 97 17.631 -3.450 0.375 612 HB3 PRO 97 2HB PRO 97 15.972 -4.099 0.540 613 HG2 PRO 97 1HG PRO 97 17.436 -3.384 -2.029 614 HG3 PRO 97 2HG PRO 97 16.608 -4.924 -1.625 615 HD2 PRO 97 1HD PRO 97 15.383 -2.901 -3.032 616 HD3 PRO 97 2HD PRO 97 14.485 -3.968 -1.908 617 H ARG 98 H ARG 98 17.974 -1.356 1.399 618 HA ARG 98 HA ARG 98 19.307 0.416 -0.584 619 HB2 ARG 98 1HB ARG 98 18.649 1.130 2.308 620 HB3 ARG 98 2HB ARG 98 19.815 1.996 1.305 621 HG2 ARG 98 1HG ARG 98 18.007 2.507 -0.341 622 HG3 ARG 98 2HG ARG 98 16.826 1.755 0.744 623 HD2 ARG 98 1HD ARG 98 18.614 4.119 1.468 624 HD3 ARG 98 2HD ARG 98 16.950 4.264 0.920 625 HE ARG 98 HE ARG 98 17.899 3.322 3.559 626 HH11 ARG 98 1HH1 ARG 98 15.034 3.585 1.484 627 HH12 ARG 98 2HH1 ARG 98 13.954 3.449 2.840 628 HH21 ARG 98 1HH2 ARG 98 16.520 3.159 5.186 629 HH22 ARG 98 2HH2 ARG 98 14.784 3.210 4.946 630 H ARG 99 H ARG 99 21.490 0.311 -0.553 631 HA ARG 99 HA ARG 99 22.889 -1.642 1.140 632 HB2 ARG 99 1HB ARG 99 23.493 -1.310 -1.250 633 HB3 ARG 99 2HB ARG 99 23.923 0.363 -0.913 634 HG2 ARG 99 1HG ARG 99 25.935 -0.938 -1.043 635 HG3 ARG 99 2HG ARG 99 25.729 -0.434 0.637 636 HD2 ARG 99 1HD ARG 99 24.856 -2.689 1.205 637 HD3 ARG 99 2HD ARG 99 25.006 -3.174 -0.498 638 HE ARG 99 HE ARG 99 27.523 -2.204 0.401 639 HH11 ARG 99 1HH1 ARG 99 25.458 -5.030 0.934 640 HH12 ARG 99 2HH1 ARG 99 26.807 -6.051 1.334 641 HH21 ARG 99 1HH2 ARG 99 29.214 -3.577 0.926 642 HH22 ARG 99 2HH2 ARG 99 28.901 -5.239 1.328 643 H ALA 100 H ALA 100 23.295 -1.120 3.171 644 HA ALA 100 HA ALA 100 23.641 -0.020 5.129 645 HB1 ALA 100 1HB ALA 100 25.793 0.652 4.017 646 HB2 ALA 100 2HB ALA 100 25.023 2.179 3.532 647 HB3 ALA 100 3HB ALA 100 25.230 1.786 5.248 648 H GLN 101 H GLN 101 23.422 2.656 5.931 649 HA GLN 101 HA GLN 101 20.775 3.588 4.982 650 HB2 GLN 101 1HB GLN 101 21.504 2.884 7.863 651 HB3 GLN 101 2HB GLN 101 20.073 3.784 7.398 652 HG2 GLN 101 1HG GLN 101 20.682 0.894 6.648 653 HG3 GLN 101 2HG GLN 101 19.553 1.433 7.875 654 HE21 GLN 101 2HE2 GLN 101 18.672 -0.284 5.850 655 HE22 GLN 101 1HE2 GLN 101 17.581 0.611 4.808 656 HA PRO 102 HA PRO 102 22.767 7.509 5.555 657 HB2 PRO 102 1HB PRO 102 20.665 9.243 5.656 658 HB3 PRO 102 2HB PRO 102 21.096 8.335 4.174 659 HG2 PRO 102 1HG PRO 102 18.987 7.624 6.241 660 HG3 PRO 102 2HG PRO 102 18.811 7.683 4.457 661 HD2 PRO 102 1HD PRO 102 19.303 5.357 5.788 662 HD3 PRO 102 2HD PRO 102 20.016 5.679 4.178 663 H LYS 103 H LYS 103 23.340 9.025 7.104 664 HA LYS 103 HA LYS 103 22.039 9.290 9.696 665 HB2 LYS 103 1HB LYS 103 23.238 7.107 9.919 666 HB3 LYS 103 2HB LYS 103 24.761 7.922 9.545 667 HG2 LYS 103 1HG LYS 103 24.507 9.333 11.571 668 HG3 LYS 103 2HG LYS 103 22.940 8.569 11.912 669 HD2 LYS 103 1HD LYS 103 24.066 6.372 12.158 670 HD3 LYS 103 2HD LYS 103 25.633 7.134 11.806 671 HE2 LYS 103 1HE LYS 103 25.352 8.612 13.785 672 HE3 LYS 103 2HE LYS 103 23.794 7.852 14.136 673 HZ1 LYS 103 3HZ LYS 103 25.575 6.878 15.467 674 HZ2 LYS 103 1HZ LYS 103 24.974 5.743 14.462 675 HZ3 LYS 103 2HZ LYS 103 26.414 6.446 14.138 676 H5' G 104 H5' G 104 -4.272 -0.330 -11.712 677 H5'' G 104 H5" G 104 -5.734 0.560 -11.267 678 H4' G 104 H4' G 104 -4.203 0.945 -13.881 679 H3' G 104 H3' G 104 -3.230 1.778 -11.450 680 H2' G 104 H2' G 104 -5.139 2.908 -10.683 681 HO2' G 104 HO2 G 104 -3.491 4.682 -12.105 682 H1' G 104 H1' G 104 -5.684 4.139 -13.379 683 H8 G 104 8H G 104 -7.305 2.246 -10.379 684 H1 G 104 1H G 104 -11.171 6.252 -13.616 685 H21 G 104 1H2 G 104 -10.033 7.085 -15.376 686 H22 G 104 2H2 G 104 -8.372 6.588 -15.646 687 HO5' G 104 H5T G 104 -5.361 -1.253 -13.458 688 H5' U 105 H5' U 105 -1.355 2.780 -10.583 689 H5'' U 105 H5" U 105 -0.216 3.714 -11.551 690 H4' U 105 H4' U 105 0.734 2.895 -9.442 691 H3' U 105 H3' U 105 2.075 2.967 -11.810 692 H2' U 105 H2' U 105 1.529 0.721 -12.392 693 HO2' U 105 HO2 U 105 4.119 1.013 -11.543 694 H1' U 105 H1' U 105 2.262 -0.066 -9.564 695 H3 U 105 3H U 105 1.837 -4.459 -10.626 696 H5 U 105 5H U 105 -1.397 -2.712 -12.638 697 H6 U 105 6H U 105 -0.670 -0.525 -11.833 698 H5' A 106 H5' A 106 3.941 3.992 -7.525 699 H5'' A 106 H5" A 106 4.352 5.330 -8.590 700 H4' A 106 H4' A 106 5.401 5.742 -6.515 701 H3' A 106 H3' A 106 6.874 5.744 -8.840 702 H2' A 106 H2' A 106 7.695 3.547 -8.639 703 HO2' A 106 HO2 A 106 9.508 5.373 -7.510 704 H1' A 106 H1' A 106 8.236 3.954 -5.700 705 H8 A 106 8H A 106 6.852 1.412 -8.330 706 H61 A 106 1H6 A 106 9.156 -2.739 -4.212 707 H62 A 106 2H6 A 106 8.443 -2.613 -5.820 708 H2 A 106 2H A 106 9.711 1.195 -2.561 709 H5' G 107 H5' G 107 8.220 8.315 -4.459 710 H5'' G 107 H5" G 107 7.622 6.672 -4.213 711 H4' G 107 H4' G 107 5.898 8.912 -3.182 712 H3' G 107 H3' G 107 8.638 8.234 -2.110 713 H2' G 107 H2' G 107 7.805 8.414 0.080 714 HO2' G 107 HO2 G 107 6.609 10.477 -0.547 715 H1' G 107 H1' G 107 5.167 7.543 -0.479 716 H8 G 107 8H G 107 5.348 5.992 1.582 717 H1 G 107 1H G 107 10.769 3.247 -0.576 718 H21 G 107 1H2 G 107 11.414 4.295 -2.473 719 H22 G 107 2H2 G 107 10.460 5.633 -3.084 720 H5' U 108 H5' U 108 9.901 12.429 0.742 721 H5'' U 108 H5" U 108 11.110 11.208 0.336 722 H4' U 108 H4' U 108 10.925 11.284 2.694 723 H3' U 108 H3' U 108 10.347 8.834 1.319 724 HO3' U 108 H3T U 108 11.062 8.114 3.577 725 H2' U 108 H2' U 108 8.120 8.788 2.095 726 HO2' U 108 HO2 U 108 9.010 6.940 3.132 727 H1' U 108 H1' U 108 9.122 10.156 4.601 728 H3 U 108 3H U 108 5.094 9.976 6.677 729 H5 U 108 5H U 108 4.017 10.422 2.657 730 H6 U 108 6H U 108 6.390 10.455 2.065 Start of MODEL 7 1 H CYS 20 1H CYS 20 10.514 -4.157 6.494 2 HA CYS 20 HA CYS 20 9.168 -6.137 6.229 3 HB2 CYS 20 1HB CYS 20 7.916 -5.297 8.894 4 HB3 CYS 20 2HB CYS 20 7.394 -6.636 7.883 5 HG CYS 20 HG CYS 20 9.687 -7.950 7.940 6 H LYS 21 H LYS 21 8.817 -4.516 4.435 7 HA LYS 21 HA LYS 21 6.198 -3.164 4.685 8 HB2 LYS 21 1HB LYS 21 7.979 -1.598 5.525 9 HB3 LYS 21 2HB LYS 21 8.733 -1.644 3.929 10 HG2 LYS 21 1HG LYS 21 6.732 -0.642 2.912 11 HG3 LYS 21 2HG LYS 21 5.844 -0.805 4.431 12 HD2 LYS 21 1HD LYS 21 7.439 0.796 5.501 13 HD3 LYS 21 2HD LYS 21 8.245 0.999 3.930 14 HE2 LYS 21 1HE LYS 21 6.206 1.827 2.908 15 HE3 LYS 21 2HE LYS 21 5.246 1.427 4.350 16 HZ1 LYS 21 3HZ LYS 21 5.985 3.822 4.020 17 HZ2 LYS 21 1HZ LYS 21 6.178 3.189 5.522 18 HZ3 LYS 21 2HZ LYS 21 7.471 3.345 4.471 19 H MET 22 H MET 22 5.146 -2.640 2.851 20 HA MET 22 HA MET 22 6.187 -3.669 0.255 21 HB2 MET 22 1HB MET 22 3.500 -4.310 1.543 22 HB3 MET 22 2HB MET 22 4.006 -4.774 -0.085 23 HG2 MET 22 1HG MET 22 5.988 -5.979 0.982 24 HG3 MET 22 2HG MET 22 5.258 -5.635 2.544 25 HE1 MET 22 3HE MET 22 4.002 -8.681 -0.613 26 HE2 MET 22 1HE MET 22 3.836 -6.955 -1.006 27 HE3 MET 22 2HE MET 22 5.426 -7.625 -0.572 28 H PHE 23 H PHE 23 5.593 -2.659 -1.481 29 HA PHE 23 HA PHE 23 3.951 -0.179 -1.451 30 HB2 PHE 23 1HB PHE 23 5.980 0.058 -2.677 31 HB3 PHE 23 2HB PHE 23 5.847 -1.541 -3.395 32 HD1 PHE 23 2HD PHE 23 4.248 -1.994 -5.237 33 HD2 PHE 23 1HD PHE 23 4.836 1.982 -3.699 34 HE1 PHE 23 2HE PHE 23 3.197 -1.061 -7.277 35 HE2 PHE 23 1HE PHE 23 3.799 2.902 -5.749 36 HZ PHE 23 HZ PHE 23 2.973 1.406 -7.536 37 H ILE 24 H ILE 24 1.925 -0.188 -2.358 38 HA ILE 24 HA ILE 24 0.790 -2.864 -3.147 39 HB ILE 24 HB ILE 24 -0.747 -0.615 -1.824 40 HG12 ILE 24 1HG1 ILE 24 0.887 -1.142 -0.157 41 HG13 ILE 24 2HG1 ILE 24 -0.681 -1.766 0.299 42 HG21 ILE 24 1HG2 ILE 24 -1.992 -2.333 -3.115 43 HG22 ILE 24 2HG2 ILE 24 -1.310 -3.600 -2.090 44 HG23 ILE 24 3HG2 ILE 24 -2.374 -2.367 -1.387 45 HD11 ILE 24 3HD1 ILE 24 1.176 -3.294 0.885 46 HD12 ILE 24 1HD1 ILE 24 0.021 -4.057 -0.210 47 HD13 ILE 24 2HD1 ILE 24 1.584 -3.477 -0.822 48 H GLY 25 H GLY 25 0.812 -2.736 -5.361 49 HA2 GLY 25 1HA GLY 25 -0.091 -0.255 -6.736 50 HA3 GLY 25 2HA GLY 25 0.712 -1.661 -7.460 51 H GLY 26 H GLY 26 -1.514 -0.421 -8.596 52 HA2 GLY 26 1HA GLY 26 -3.256 -1.236 -9.890 53 HA3 GLY 26 2HA GLY 26 -3.143 -2.800 -9.056 54 H LEU 27 H LEU 27 -3.584 -0.017 -7.031 55 HA LEU 27 HA LEU 27 -6.050 -1.026 -5.921 56 HB2 LEU 27 1HB LEU 27 -4.773 1.726 -5.625 57 HB3 LEU 27 2HB LEU 27 -6.038 1.074 -4.615 58 HG LEU 27 HG LEU 27 -3.177 0.042 -4.732 59 HD11 LEU 27 1HD1 LEU 27 -3.581 2.247 -3.594 60 HD12 LEU 27 2HD1 LEU 27 -4.760 1.467 -2.541 61 HD13 LEU 27 3HD1 LEU 27 -3.050 0.978 -2.474 62 HD21 LEU 27 3HD2 LEU 27 -4.037 -1.256 -2.652 63 HD22 LEU 27 1HD2 LEU 27 -5.642 -1.057 -3.379 64 HD23 LEU 27 2HD2 LEU 27 -4.337 -1.876 -4.274 65 H SER 28 H SER 28 -7.960 0.410 -5.567 66 HA SER 28 HA SER 28 -9.035 1.493 -8.123 67 HB2 SER 28 1HB SER 28 -10.457 -0.040 -6.864 68 HB3 SER 28 2HB SER 28 -10.270 0.935 -5.404 69 HG SER 28 HG SER 28 -12.226 1.301 -6.492 70 H TRP 29 H TRP 29 -9.778 3.669 -8.258 71 HA TRP 29 HA TRP 29 -8.500 5.673 -6.583 72 HB2 TRP 29 1HB TRP 29 -10.561 5.727 -8.774 73 HB3 TRP 29 2HB TRP 29 -10.136 7.177 -7.874 74 HD1 TRP 29 HD TRP 29 -7.186 4.948 -8.573 75 HE1 TRP 29 1HE TRP 29 -5.794 5.845 -10.508 76 HE3 TRP 29 3HE TRP 29 -10.355 8.632 -10.197 77 HZ2 TRP 29 2HZ TRP 29 -5.957 7.981 -12.448 78 HZ3 TRP 29 3HZ TRP 29 -9.708 10.078 -12.106 79 HH2 TRP 29 HH TRP 29 -7.526 9.757 -13.247 80 H GLN 30 H GLN 30 -11.112 3.657 -5.928 81 HA GLN 30 HA GLN 30 -12.261 5.526 -3.902 82 HB2 GLN 30 1HB GLN 30 -13.096 2.679 -4.490 83 HB3 GLN 30 2HB GLN 30 -13.980 3.901 -3.584 84 HG2 GLN 30 1HG GLN 30 -14.170 5.248 -5.726 85 HG3 GLN 30 2HG GLN 30 -13.489 3.862 -6.592 86 HE21 GLN 30 2HE2 GLN 30 -14.745 1.618 -5.774 87 HE22 GLN 30 1HE2 GLN 30 -16.489 1.811 -5.902 88 H THR 31 H THR 31 -9.658 3.285 -4.053 89 HA THR 31 HA THR 31 -10.012 2.014 -1.480 90 HB THR 31 HB THR 31 -7.472 2.388 -3.123 91 HG1 THR 31 1HG THR 31 -9.348 0.249 -3.003 92 HG21 THR 31 3HG2 THR 31 -6.821 0.251 -1.926 93 HG22 THR 31 1HG2 THR 31 -6.876 1.675 -0.885 94 HG23 THR 31 2HG2 THR 31 -8.202 0.491 -0.842 95 H THR 32 H THR 32 -9.293 2.565 0.488 96 HA THR 32 HA THR 32 -7.723 5.076 0.890 97 HB THR 32 HB THR 32 -8.890 5.398 3.000 98 HG1 THR 32 1HG THR 32 -10.745 4.005 3.384 99 HG21 THR 32 3HG2 THR 32 -11.087 6.036 2.228 100 HG22 THR 32 1HG2 THR 32 -9.925 6.369 0.932 101 HG23 THR 32 2HG2 THR 32 -10.984 4.944 0.831 102 H GLN 33 H GLN 33 -6.428 5.039 2.894 103 HA GLN 33 HA GLN 33 -4.927 2.585 3.161 104 HB2 GLN 33 1HB GLN 33 -3.677 3.822 4.911 105 HB3 GLN 33 2HB GLN 33 -3.768 4.563 3.324 106 HG2 GLN 33 1HG GLN 33 -5.642 6.064 4.255 107 HG3 GLN 33 2HG GLN 33 -5.165 5.468 5.849 108 HE21 GLN 33 2HE2 GLN 33 -3.787 7.011 6.828 109 HE22 GLN 33 1HE2 GLN 33 -2.616 7.967 5.935 110 H GLU 34 H GLU 34 -7.700 3.786 4.894 111 HA GLU 34 HA GLU 34 -7.551 1.850 7.071 112 HB2 GLU 34 1HB GLU 34 -9.925 3.299 5.826 113 HB3 GLU 34 2HB GLU 34 -9.996 2.316 7.284 114 HG2 GLU 34 1HG GLU 34 -8.368 4.873 6.939 115 HG3 GLU 34 2HG GLU 34 -9.905 4.729 7.780 116 H GLY 35 H GLY 35 -8.930 1.889 3.756 117 HA2 GLY 35 1HA GLY 35 -10.093 -0.749 3.821 118 HA3 GLY 35 2HA GLY 35 -9.676 0.207 2.380 119 H LEU 36 H LEU 36 -6.827 0.464 2.916 120 HA LEU 36 HA LEU 36 -5.788 -2.098 2.152 121 HB2 LEU 36 1HB LEU 36 -4.248 0.160 3.538 122 HB3 LEU 36 2HB LEU 36 -3.561 -1.216 2.704 123 HG LEU 36 HG LEU 36 -5.005 1.137 1.467 124 HD11 LEU 36 1HD1 LEU 36 -2.611 1.409 2.064 125 HD12 LEU 36 2HD1 LEU 36 -2.212 0.000 1.058 126 HD13 LEU 36 3HD1 LEU 36 -2.877 1.462 0.310 127 HD21 LEU 36 3HD2 LEU 36 -4.602 0.032 -0.724 128 HD22 LEU 36 1HD2 LEU 36 -4.171 -1.466 0.131 129 HD23 LEU 36 2HD2 LEU 36 -5.814 -0.782 0.263 130 H ARG 37 H ARG 37 -5.718 -0.522 5.408 131 HA ARG 37 HA ARG 37 -4.629 -2.755 6.765 132 HB2 ARG 37 1HB ARG 37 -4.862 -0.544 7.764 133 HB3 ARG 37 2HB ARG 37 -6.625 -0.659 7.719 134 HG2 ARG 37 1HG ARG 37 -6.573 -2.547 9.322 135 HG3 ARG 37 2HG ARG 37 -4.802 -2.504 9.323 136 HD2 ARG 37 1HD ARG 37 -4.960 -0.103 10.103 137 HD3 ARG 37 2HD ARG 37 -6.706 -0.306 10.221 138 HE ARG 37 HE ARG 37 -4.644 -1.338 12.032 139 HH11 ARG 37 1HH1 ARG 37 -8.043 -1.733 11.112 140 HH12 ARG 37 2HH1 ARG 37 -8.447 -2.511 12.612 141 HH21 ARG 37 1HH2 ARG 37 -5.241 -2.343 13.938 142 HH22 ARG 37 2HH2 ARG 37 -6.883 -2.849 14.184 143 H GLU 38 H GLU 38 -8.032 -2.100 5.951 144 HA GLU 38 HA GLU 38 -9.195 -4.261 7.277 145 HB2 GLU 38 1HB GLU 38 -10.164 -2.200 5.803 146 HB3 GLU 38 2HB GLU 38 -10.328 -3.481 4.598 147 HG2 GLU 38 1HG GLU 38 -11.557 -4.835 6.327 148 HG3 GLU 38 2HG GLU 38 -11.383 -3.473 7.446 149 H TYR 39 H TYR 39 -7.623 -4.227 4.072 150 HA TYR 39 HA TYR 39 -8.275 -7.042 3.509 151 HB2 TYR 39 1HB TYR 39 -8.183 -5.274 1.771 152 HB3 TYR 39 2HB TYR 39 -6.457 -5.082 2.059 153 HD1 TYR 39 2HD TYR 39 -9.074 -7.589 1.098 154 HD2 TYR 39 1HD TYR 39 -4.894 -6.542 0.968 155 HE1 TYR 39 2HE TYR 39 -8.633 -9.555 -0.349 156 HE2 TYR 39 1HE TYR 39 -4.447 -8.493 -0.495 157 HH TYR 39 HH TYR 39 -7.057 -10.809 -1.417 158 H PHE 40 H PHE 40 -5.403 -5.166 4.477 159 HA PHE 40 HA PHE 40 -3.673 -7.469 4.266 160 HB2 PHE 40 1HB PHE 40 -3.259 -4.565 4.918 161 HB3 PHE 40 2HB PHE 40 -1.967 -5.702 5.177 162 HD1 PHE 40 1HD PHE 40 -1.598 -7.459 3.119 163 HD2 PHE 40 2HD PHE 40 -3.455 -3.591 2.739 164 HE1 PHE 40 1HE PHE 40 -1.256 -7.527 0.666 165 HE2 PHE 40 2HE PHE 40 -3.136 -3.674 0.296 166 HZ PHE 40 HZ PHE 40 -2.034 -5.638 -0.755 167 H GLY 41 H GLY 41 -5.489 -6.194 6.920 168 HA2 GLY 41 1HA GLY 41 -4.069 -7.399 9.087 169 HA3 GLY 41 2HA GLY 41 -5.804 -7.027 9.037 170 H GLN 42 H GLN 42 -5.662 -8.971 6.492 171 HA GLN 42 HA GLN 42 -6.418 -11.444 7.839 172 HB2 GLN 42 1HB GLN 42 -5.738 -10.908 4.912 173 HB3 GLN 42 2HB GLN 42 -6.558 -12.334 5.548 174 HG2 GLN 42 1HG GLN 42 -8.459 -10.903 6.291 175 HG3 GLN 42 2HG GLN 42 -7.646 -9.490 5.616 176 HE21 GLN 42 2HE2 GLN 42 -7.150 -9.550 3.223 177 HE22 GLN 42 1HE2 GLN 42 -8.289 -10.410 2.185 178 H PHE 43 H PHE 43 -3.418 -10.132 6.574 179 HA PHE 43 HA PHE 43 -2.063 -12.781 6.615 180 HB2 PHE 43 1HB PHE 43 -1.098 -10.106 5.539 181 HB3 PHE 43 2HB PHE 43 -0.361 -11.673 5.286 182 HD1 PHE 43 2HD PHE 43 -1.468 -13.361 3.785 183 HD2 PHE 43 1HD PHE 43 -3.067 -9.417 4.292 184 HE1 PHE 43 2HE PHE 43 -2.871 -13.677 1.763 185 HE2 PHE 43 1HE PHE 43 -4.472 -9.708 2.266 186 HZ PHE 43 HZ PHE 43 -4.384 -11.852 1.005 187 H GLY 44 H GLY 44 -1.845 -9.519 8.046 188 HA2 GLY 44 1HA GLY 44 -0.811 -10.496 10.534 189 HA3 GLY 44 2HA GLY 44 0.486 -9.753 9.613 190 H GLU 45 H GLU 45 -0.441 -8.742 12.088 191 HA GLU 45 HA GLU 45 -2.230 -6.512 11.778 192 HB2 GLU 45 1HB GLU 45 -1.690 -7.557 13.941 193 HB3 GLU 45 2HB GLU 45 -0.023 -6.974 13.829 194 HG2 GLU 45 1HG GLU 45 -0.772 -4.654 13.953 195 HG3 GLU 45 2HG GLU 45 -2.462 -5.143 13.788 196 H VAL 46 H VAL 46 -1.874 -4.517 10.891 197 HA VAL 46 HA VAL 46 0.724 -4.037 9.662 198 HB VAL 46 HB VAL 46 -0.211 -2.348 8.369 199 HG11 VAL 46 1HG1 VAL 46 -0.813 -4.682 7.730 200 HG12 VAL 46 2HG1 VAL 46 -2.366 -4.488 8.579 201 HG13 VAL 46 3HG1 VAL 46 -1.994 -3.481 7.176 202 HG21 VAL 46 3HG2 VAL 46 -2.553 -1.566 8.522 203 HG22 VAL 46 1HG2 VAL 46 -2.677 -2.363 10.115 204 HG23 VAL 46 2HG2 VAL 46 -1.531 -1.023 9.854 205 H LYS 47 H LYS 47 2.144 -2.512 10.089 206 HA LYS 47 HA LYS 47 2.069 -1.107 12.699 207 HB2 LYS 47 1HB LYS 47 3.930 -2.597 11.979 208 HB3 LYS 47 2HB LYS 47 4.284 -1.508 10.640 209 HG2 LYS 47 1HG LYS 47 4.914 0.275 12.178 210 HG3 LYS 47 2HG LYS 47 4.336 -0.665 13.567 211 HD2 LYS 47 1HD LYS 47 6.067 -2.395 13.105 212 HD3 LYS 47 2HD LYS 47 6.659 -1.426 11.736 213 HE2 LYS 47 1HE LYS 47 7.152 0.455 13.286 214 HE3 LYS 47 2HE LYS 47 6.534 -0.491 14.644 215 HZ1 LYS 47 3HZ LYS 47 8.947 -0.613 14.512 216 HZ2 LYS 47 1HZ LYS 47 8.319 -2.098 14.258 217 HZ3 LYS 47 2HZ LYS 47 8.894 -1.224 12.998 218 H GLU 48 H GLU 48 1.760 -0.414 9.334 219 HA GLU 48 HA GLU 48 1.005 2.352 9.687 220 HB2 GLU 48 1HB GLU 48 3.392 2.746 9.789 221 HB3 GLU 48 2HB GLU 48 3.693 1.670 8.435 222 HG2 GLU 48 1HG GLU 48 2.626 3.244 6.882 223 HG3 GLU 48 2HG GLU 48 2.228 4.319 8.231 224 H CYS 49 H CYS 49 -0.232 2.982 7.903 225 HA CYS 49 HA CYS 49 -0.052 1.472 5.388 226 HB2 CYS 49 1HB CYS 49 -2.508 1.190 5.245 227 HB3 CYS 49 2HB CYS 49 -1.786 0.240 6.552 228 HG CYS 49 HG CYS 49 -4.273 1.553 6.906 229 H LEU 50 H LEU 50 -0.590 2.673 3.589 230 HA LEU 50 HA LEU 50 -1.258 5.557 3.911 231 HB2 LEU 50 1HB LEU 50 1.306 4.337 2.866 232 HB3 LEU 50 2HB LEU 50 0.794 5.938 2.379 233 HG LEU 50 HG LEU 50 1.438 5.128 5.241 234 HD11 LEU 50 1HD1 LEU 50 3.409 5.127 3.739 235 HD12 LEU 50 2HD1 LEU 50 3.019 6.778 3.207 236 HD13 LEU 50 3HD1 LEU 50 3.479 6.468 4.894 237 HD21 LEU 50 3HD2 LEU 50 1.414 7.599 5.638 238 HD22 LEU 50 1HD2 LEU 50 0.820 7.846 3.981 239 HD23 LEU 50 2HD2 LEU 50 -0.182 6.997 5.180 240 H VAL 51 H VAL 51 -2.193 6.465 2.165 241 HA VAL 51 HA VAL 51 -1.980 5.120 -0.507 242 HB VAL 51 HB VAL 51 -4.517 6.280 0.708 243 HG11 VAL 51 1HG1 VAL 51 -4.352 7.162 -1.586 244 HG12 VAL 51 2HG1 VAL 51 -3.967 5.541 -2.205 245 HG13 VAL 51 3HG1 VAL 51 -5.570 5.890 -1.524 246 HG21 VAL 51 3HG2 VAL 51 -5.457 4.073 0.048 247 HG22 VAL 51 1HG2 VAL 51 -3.865 3.571 -0.550 248 HG23 VAL 51 2HG2 VAL 51 -4.112 3.885 1.179 249 H MET 52 H MET 52 -1.209 6.386 -1.992 250 HA MET 52 HA MET 52 -0.278 9.063 -1.183 251 HB2 MET 52 1HB MET 52 0.459 7.105 -3.379 252 HB3 MET 52 2HB MET 52 1.239 8.693 -3.172 253 HG2 MET 52 1HG MET 52 1.223 6.620 -0.980 254 HG3 MET 52 2HG MET 52 2.500 6.801 -2.170 255 HE1 MET 52 3HE MET 52 2.139 8.971 1.672 256 HE2 MET 52 1HE MET 52 0.695 8.320 0.857 257 HE3 MET 52 2HE MET 52 2.083 7.255 1.199 258 H ARG 53 H ARG 53 -2.938 9.198 -1.650 259 HA ARG 53 HA ARG 53 -3.695 9.786 -4.308 260 HB2 ARG 53 1HB ARG 53 -5.788 10.594 -3.387 261 HB3 ARG 53 2HB ARG 53 -5.296 9.118 -2.564 262 HG2 ARG 53 1HG ARG 53 -4.495 10.476 -0.628 263 HG3 ARG 53 2HG ARG 53 -5.006 11.954 -1.475 264 HD2 ARG 53 1HD ARG 53 -7.335 11.083 -1.558 265 HD3 ARG 53 2HD ARG 53 -6.819 9.652 -0.641 266 HE ARG 53 HE ARG 53 -6.000 11.892 0.843 267 HH11 ARG 53 1HH1 ARG 53 -9.106 10.510 -0.151 268 HH12 ARG 53 2HH1 ARG 53 -9.944 11.187 1.212 269 HH21 ARG 53 1HH2 ARG 53 -7.146 12.730 2.579 270 HH22 ARG 53 2HH2 ARG 53 -8.847 12.420 2.735 271 H ASP 54 H ASP 54 -4.395 11.707 -5.296 272 HA ASP 54 HA ASP 54 -2.727 14.086 -4.839 273 HB2 ASP 54 1HB ASP 54 -3.193 13.334 -7.113 274 HB3 ASP 54 2HB ASP 54 -4.930 13.397 -6.798 275 HA PRO 55 HA PRO 55 -5.944 15.571 -2.107 276 HB2 PRO 55 1HB PRO 55 -4.941 17.990 -1.330 277 HB3 PRO 55 2HB PRO 55 -4.191 16.434 -0.864 278 HG2 PRO 55 1HG PRO 55 -3.406 18.262 -3.155 279 HG3 PRO 55 2HG PRO 55 -2.344 17.534 -1.910 280 HD2 PRO 55 1HD PRO 55 -2.668 16.418 -4.385 281 HD3 PRO 55 2HD PRO 55 -2.453 15.413 -2.920 282 H LEU 56 H LEU 56 -5.374 17.105 -5.182 283 HA LEU 56 HA LEU 56 -7.548 19.090 -4.835 284 HB2 LEU 56 1HB LEU 56 -5.538 18.438 -7.012 285 HB3 LEU 56 2HB LEU 56 -6.990 19.348 -7.376 286 HG LEU 56 HG LEU 56 -6.395 21.080 -5.740 287 HD11 LEU 56 1HD1 LEU 56 -5.037 19.889 -4.107 288 HD12 LEU 56 2HD1 LEU 56 -3.824 19.484 -5.350 289 HD13 LEU 56 3HD1 LEU 56 -4.060 21.167 -4.829 290 HD21 LEU 56 3HD2 LEU 56 -4.540 22.048 -7.045 291 HD22 LEU 56 1HD2 LEU 56 -4.188 20.456 -7.752 292 HD23 LEU 56 2HD2 LEU 56 -5.725 21.276 -8.109 293 H THR 57 H THR 57 -6.901 16.092 -6.671 294 HA THR 57 HA THR 57 -9.744 16.051 -7.618 295 HB THR 57 HB THR 57 -8.970 14.641 -9.418 296 HG1 THR 57 1HG THR 57 -6.386 14.974 -8.281 297 HG21 THR 57 3HG2 THR 57 -7.545 16.183 -10.635 298 HG22 THR 57 1HG2 THR 57 -8.760 17.099 -9.721 299 HG23 THR 57 2HG2 THR 57 -7.080 17.013 -9.140 300 H LYS 58 H LYS 58 -7.781 14.513 -5.374 301 HA LYS 58 HA LYS 58 -8.071 12.852 -3.923 302 HB2 LYS 58 1HB LYS 58 -10.949 12.995 -4.891 303 HB3 LYS 58 2HB LYS 58 -10.422 11.902 -3.631 304 HG2 LYS 58 1HG LYS 58 -11.392 13.877 -2.673 305 HG3 LYS 58 2HG LYS 58 -9.702 13.720 -2.202 306 HD2 LYS 58 1HD LYS 58 -9.040 15.523 -3.659 307 HD3 LYS 58 2HD LYS 58 -10.641 15.561 -4.441 308 HE2 LYS 58 1HE LYS 58 -11.677 16.297 -2.348 309 HE3 LYS 58 2HE LYS 58 -10.136 16.146 -1.489 310 HZ1 LYS 58 3HZ LYS 58 -10.621 18.446 -2.176 311 HZ2 LYS 58 1HZ LYS 58 -9.231 17.900 -2.845 312 HZ3 LYS 58 2HZ LYS 58 -10.593 18.010 -3.756 313 H ARG 59 H ARG 59 -7.825 12.194 -7.110 314 HA ARG 59 HA ARG 59 -8.281 9.378 -7.269 315 HB2 ARG 59 1HB ARG 59 -6.732 9.350 -9.114 316 HB3 ARG 59 2HB ARG 59 -7.792 10.758 -9.239 317 HG2 ARG 59 1HG ARG 59 -5.852 12.122 -8.284 318 HG3 ARG 59 2HG ARG 59 -4.859 10.666 -8.409 319 HD2 ARG 59 1HD ARG 59 -4.385 11.912 -10.349 320 HD3 ARG 59 2HD ARG 59 -5.442 10.589 -10.874 321 HE ARG 59 HE ARG 59 -6.790 13.105 -10.151 322 HH11 ARG 59 1HH1 ARG 59 -5.239 11.451 -12.871 323 HH12 ARG 59 2HH1 ARG 59 -6.130 12.364 -14.052 324 HH21 ARG 59 1HH2 ARG 59 -7.958 14.178 -11.719 325 HH22 ARG 59 2HH2 ARG 59 -7.645 13.897 -13.406 326 H SER 60 H SER 60 -7.161 7.609 -6.527 327 HA SER 60 HA SER 60 -5.045 7.962 -4.529 328 HB2 SER 60 1HB SER 60 -5.188 5.560 -4.296 329 HB3 SER 60 2HB SER 60 -6.832 6.217 -4.389 330 HG SER 60 HG SER 60 -6.714 4.459 -5.766 331 H ARG 61 H ARG 61 -5.012 7.808 -7.910 332 HA ARG 61 HA ARG 61 -3.545 7.336 -9.546 333 HB2 ARG 61 1HB ARG 61 -1.430 7.620 -7.364 334 HB3 ARG 61 2HB ARG 61 -1.084 7.402 -9.079 335 HG2 ARG 61 1HG ARG 61 -2.413 9.447 -9.607 336 HG3 ARG 61 2HG ARG 61 -2.617 9.747 -7.876 337 HD2 ARG 61 1HD ARG 61 0.103 9.389 -9.218 338 HD3 ARG 61 2HD ARG 61 -0.665 10.956 -9.044 339 HE ARG 61 HE ARG 61 -0.758 10.366 -6.531 340 HH11 ARG 61 1HH1 ARG 61 1.995 9.734 -8.672 341 HH12 ARG 61 2HH1 ARG 61 3.113 9.558 -7.351 342 HH21 ARG 61 1HH2 ARG 61 0.726 10.211 -4.893 343 HH22 ARG 61 2HH2 ARG 61 2.437 10.068 -5.255 344 H GLY 62 H GLY 62 -4.641 5.185 -7.580 345 HA2 GLY 62 1HA GLY 62 -4.827 2.914 -7.720 346 HA3 GLY 62 2HA GLY 62 -3.696 2.924 -9.093 347 H PHE 63 H PHE 63 -2.599 4.292 -5.992 348 HA PHE 63 HA PHE 63 -1.479 1.742 -5.195 349 HB2 PHE 63 1HB PHE 63 0.768 2.068 -5.584 350 HB3 PHE 63 2HB PHE 63 0.045 2.648 -7.061 351 HD1 PHE 63 2HD PHE 63 -0.190 5.214 -7.383 352 HD2 PHE 63 1HD PHE 63 2.058 3.444 -4.159 353 HE1 PHE 63 2HE PHE 63 0.938 7.390 -6.988 354 HE2 PHE 63 1HE PHE 63 3.253 5.583 -3.829 355 HZ PHE 63 HZ PHE 63 2.674 7.553 -5.151 356 H GLY 64 H GLY 64 -0.224 1.684 -3.340 357 HA2 GLY 64 1HA GLY 64 0.044 4.000 -1.552 358 HA3 GLY 64 2HA GLY 64 -1.095 2.780 -1.008 359 H PHE 65 H PHE 65 0.289 2.485 0.809 360 HA PHE 65 HA PHE 65 2.479 0.526 0.415 361 HB2 PHE 65 1HB PHE 65 2.761 3.225 1.786 362 HB3 PHE 65 2HB PHE 65 3.798 1.878 2.162 363 HD1 PHE 65 2HD PHE 65 2.906 4.363 -0.517 364 HD2 PHE 65 1HD PHE 65 5.574 1.188 0.747 365 HE1 PHE 65 2HE PHE 65 4.557 5.057 -2.187 366 HE2 PHE 65 1HE PHE 65 7.236 1.937 -0.921 367 HZ PHE 65 HZ PHE 65 6.732 3.895 -2.390 368 H VAL 66 H VAL 66 2.773 -0.849 2.172 369 HA VAL 66 HA VAL 66 1.325 -0.306 4.715 370 HB VAL 66 HB VAL 66 0.991 -2.900 3.154 371 HG11 VAL 66 1HG1 VAL 66 1.211 -3.427 5.560 372 HG12 VAL 66 2HG1 VAL 66 0.008 -2.176 5.952 373 HG13 VAL 66 3HG1 VAL 66 -0.461 -3.627 5.042 374 HG21 VAL 66 3HG2 VAL 66 -1.424 -2.382 3.261 375 HG22 VAL 66 1HG2 VAL 66 -1.077 -0.845 4.077 376 HG23 VAL 66 2HG2 VAL 66 -0.556 -1.116 2.403 377 H THR 67 H THR 67 2.505 -0.722 6.406 378 HA THR 67 HA THR 67 4.970 -2.430 6.285 379 HB THR 67 HB THR 67 4.217 -0.439 8.440 380 HG1 THR 67 1HG THR 67 5.484 1.046 7.351 381 HG21 THR 67 3HG2 THR 67 6.613 -0.448 8.941 382 HG22 THR 67 1HG2 THR 67 6.011 -2.112 8.993 383 HG23 THR 67 2HG2 THR 67 6.926 -1.549 7.586 384 H PHE 68 H PHE 68 5.151 -4.090 7.785 385 HA PHE 68 HA PHE 68 2.653 -4.818 9.282 386 HB2 PHE 68 1HB PHE 68 4.782 -6.546 7.987 387 HB3 PHE 68 2HB PHE 68 3.480 -7.152 9.002 388 HD1 PHE 68 1HD PHE 68 4.239 -5.514 5.742 389 HD2 PHE 68 2HD PHE 68 1.217 -7.388 8.183 390 HE1 PHE 68 1HE PHE 68 2.748 -5.688 3.766 391 HE2 PHE 68 2HE PHE 68 -0.269 -7.558 6.205 392 HZ PHE 68 HZ PHE 68 0.499 -6.711 3.992 393 H MET 69 H MET 69 2.804 -5.692 11.343 394 HA MET 69 HA MET 69 4.958 -4.819 13.057 395 HB2 MET 69 1HB MET 69 2.667 -6.778 13.481 396 HB3 MET 69 2HB MET 69 3.760 -6.249 14.760 397 HG2 MET 69 1HG MET 69 1.974 -4.386 13.148 398 HG3 MET 69 2HG MET 69 1.614 -5.038 14.741 399 HE1 MET 69 3HE MET 69 2.121 -1.397 15.733 400 HE2 MET 69 1HE MET 69 1.183 -2.189 14.443 401 HE3 MET 69 2HE MET 69 1.231 -2.898 16.067 402 H ASP 70 H ASP 70 4.721 -7.588 11.050 403 HA ASP 70 HA ASP 70 7.336 -8.523 11.893 404 HB2 ASP 70 1HB ASP 70 5.665 -9.735 13.426 405 HB3 ASP 70 2HB ASP 70 5.049 -10.522 11.968 406 H GLN 71 H GLN 71 8.259 -10.009 10.380 407 HA GLN 71 HA GLN 71 7.663 -9.501 7.640 408 HB2 GLN 71 1HB GLN 71 9.887 -10.098 8.728 409 HB3 GLN 71 2HB GLN 71 9.291 -11.738 8.909 410 HG2 GLN 71 1HG GLN 71 10.771 -11.565 6.968 411 HG3 GLN 71 2HG GLN 71 9.150 -11.977 6.441 412 HE21 GLN 71 2HE2 GLN 71 10.203 -11.192 4.311 413 HE22 GLN 71 1HE2 GLN 71 10.075 -9.470 3.986 414 H ALA 72 H ALA 72 6.479 -12.006 9.826 415 HA ALA 72 HA ALA 72 5.784 -14.005 7.977 416 HB1 ALA 72 1HB ALA 72 5.751 -14.272 10.431 417 HB2 ALA 72 2HB ALA 72 4.351 -13.175 10.540 418 HB3 ALA 72 3HB ALA 72 4.196 -14.743 9.715 419 H GLY 73 H GLY 73 4.117 -10.917 8.478 420 HA2 GLY 73 1HA GLY 73 1.796 -11.757 6.867 421 HA3 GLY 73 2HA GLY 73 2.146 -10.109 7.423 422 H VAL 74 H VAL 74 4.834 -10.044 6.330 423 HA VAL 74 HA VAL 74 4.305 -9.158 3.626 424 HB VAL 74 HB VAL 74 6.939 -9.722 5.048 425 HG11 VAL 74 1HG1 VAL 74 7.382 -9.916 2.670 426 HG12 VAL 74 2HG1 VAL 74 6.497 -8.412 2.338 427 HG13 VAL 74 3HG1 VAL 74 8.015 -8.376 3.251 428 HG21 VAL 74 3HG2 VAL 74 7.125 -7.275 5.192 429 HG22 VAL 74 1HG2 VAL 74 5.540 -7.100 4.410 430 HG23 VAL 74 2HG2 VAL 74 5.675 -7.844 6.022 431 H ASP 75 H ASP 75 5.934 -12.053 5.012 432 HA ASP 75 HA ASP 75 6.629 -13.420 2.692 433 HB2 ASP 75 1HB ASP 75 7.181 -14.018 5.073 434 HB3 ASP 75 2HB ASP 75 5.540 -14.600 5.287 435 H LYS 76 H LYS 76 3.463 -13.602 4.404 436 HA LYS 76 HA LYS 76 2.288 -15.522 2.635 437 HB2 LYS 76 1HB LYS 76 1.034 -13.366 4.374 438 HB3 LYS 76 2HB LYS 76 0.152 -14.703 3.598 439 HG2 LYS 76 1HG LYS 76 1.164 -16.359 4.950 440 HG3 LYS 76 2HG LYS 76 2.410 -15.248 5.540 441 HD2 LYS 76 1HD LYS 76 0.582 -13.832 6.559 442 HD3 LYS 76 2HD LYS 76 -0.602 -15.066 6.079 443 HE2 LYS 76 1HE LYS 76 0.573 -16.726 7.481 444 HE3 LYS 76 2HE LYS 76 1.804 -15.514 7.889 445 HZ1 LYS 76 3HZ LYS 76 0.184 -15.622 9.653 446 HZ2 LYS 76 1HZ LYS 76 0.002 -14.174 8.897 447 HZ3 LYS 76 2HZ LYS 76 -1.066 -15.384 8.627 448 H VAL 77 H VAL 77 2.358 -11.965 2.470 449 HA VAL 77 HA VAL 77 0.412 -11.792 0.343 450 HB VAL 77 HB VAL 77 2.489 -9.789 1.269 451 HG11 VAL 77 1HG1 VAL 77 1.836 -9.169 -1.032 452 HG12 VAL 77 2HG1 VAL 77 0.120 -9.318 -0.600 453 HG13 VAL 77 3HG1 VAL 77 1.125 -8.048 0.126 454 HG21 VAL 77 3HG2 VAL 77 0.596 -8.707 2.415 455 HG22 VAL 77 1HG2 VAL 77 -0.548 -9.868 1.706 456 HG23 VAL 77 2HG2 VAL 77 0.623 -10.404 2.909 457 H LEU 78 H LEU 78 3.955 -12.219 0.378 458 HA LEU 78 HA LEU 78 4.264 -11.975 -2.521 459 HB2 LEU 78 1HB LEU 78 6.002 -13.309 -0.412 460 HB3 LEU 78 2HB LEU 78 6.511 -12.867 -2.037 461 HG LEU 78 HG LEU 78 5.592 -10.824 0.038 462 HD11 LEU 78 1HD1 LEU 78 7.467 -12.092 0.866 463 HD12 LEU 78 2HD1 LEU 78 8.365 -11.857 -0.649 464 HD13 LEU 78 3HD1 LEU 78 8.021 -10.461 0.409 465 HD21 LEU 78 3HD2 LEU 78 6.813 -9.228 -1.405 466 HD22 LEU 78 1HD2 LEU 78 7.085 -10.517 -2.597 467 HD23 LEU 78 2HD2 LEU 78 5.430 -9.966 -2.223 468 H ALA 79 H ALA 79 3.916 -14.657 -0.198 469 HA ALA 79 HA ALA 79 4.341 -16.735 -2.059 470 HB1 ALA 79 1HB ALA 79 4.589 -16.966 0.381 471 HB2 ALA 79 2HB ALA 79 2.833 -16.764 0.594 472 HB3 ALA 79 3HB ALA 79 3.472 -18.188 -0.251 473 H GLN 80 H GLN 80 1.369 -14.965 -1.357 474 HA GLN 80 HA GLN 80 -0.353 -16.871 -2.793 475 HB2 GLN 80 1HB GLN 80 -1.145 -15.692 -0.793 476 HB3 GLN 80 2HB GLN 80 -0.916 -14.132 -1.587 477 HG2 GLN 80 1HG GLN 80 -2.620 -14.678 -3.255 478 HG3 GLN 80 2HG GLN 80 -2.772 -16.322 -2.635 479 HE21 GLN 80 2HE2 GLN 80 -4.509 -13.591 -2.741 480 HE22 GLN 80 1HE2 GLN 80 -5.316 -13.713 -1.174 481 H SER 81 H SER 81 -0.971 -16.734 -4.912 482 HA SER 81 HA SER 81 0.661 -15.136 -6.629 483 HB2 SER 81 1HB SER 81 -1.676 -16.925 -7.363 484 HB3 SER 81 2HB SER 81 -0.344 -16.419 -8.414 485 HG SER 81 HG SER 81 -0.017 -18.540 -7.573 486 H ARG 82 H ARG 82 -2.390 -14.273 -5.336 487 HA ARG 82 HA ARG 82 -2.735 -12.019 -7.150 488 HB2 ARG 82 1HB ARG 82 -3.660 -13.966 -8.444 489 HB3 ARG 82 2HB ARG 82 -4.830 -14.239 -7.155 490 HG2 ARG 82 1HG ARG 82 -5.852 -12.045 -7.567 491 HG3 ARG 82 2HG ARG 82 -4.598 -11.641 -8.751 492 HD2 ARG 82 1HD ARG 82 -6.534 -13.977 -9.008 493 HD3 ARG 82 2HD ARG 82 -6.811 -12.373 -9.712 494 HE ARG 82 HE ARG 82 -4.280 -13.176 -10.606 495 HH11 ARG 82 1HH1 ARG 82 -7.600 -14.312 -11.051 496 HH12 ARG 82 2HH1 ARG 82 -7.254 -14.993 -12.613 497 HH21 ARG 82 1HH2 ARG 82 -3.898 -14.081 -12.621 498 HH22 ARG 82 2HH2 ARG 82 -5.187 -14.859 -13.487 499 H HIS 83 H HIS 83 -4.178 -10.474 -6.385 500 HA HIS 83 HA HIS 83 -5.628 -10.893 -3.825 501 HB2 HIS 83 1HB HIS 83 -3.462 -8.832 -4.393 502 HB3 HIS 83 2HB HIS 83 -4.561 -8.742 -3.015 503 HD1 HIS 83 1HD HIS 83 -4.229 -10.760 -1.145 504 HD2 HIS 83 2HD HIS 83 -1.326 -10.351 -4.157 505 HE1 HIS 83 1HE HIS 83 -2.166 -12.052 -0.344 506 H GLU 84 H GLU 84 -7.231 -9.158 -3.419 507 HA GLU 84 HA GLU 84 -7.920 -7.366 -5.656 508 HB2 GLU 84 1HB GLU 84 -8.798 -9.681 -6.233 509 HB3 GLU 84 2HB GLU 84 -9.834 -9.567 -4.807 510 HG2 GLU 84 1HG GLU 84 -10.803 -7.430 -5.810 511 HG3 GLU 84 2HG GLU 84 -9.853 -7.759 -7.261 512 H LEU 85 H LEU 85 -8.891 -5.591 -4.963 513 HA LEU 85 HA LEU 85 -10.423 -5.465 -2.446 514 HB2 LEU 85 1HB LEU 85 -8.118 -5.180 -1.698 515 HB3 LEU 85 2HB LEU 85 -7.815 -3.987 -2.966 516 HG LEU 85 HG LEU 85 -9.377 -2.406 -1.865 517 HD11 LEU 85 1HD1 LEU 85 -10.928 -3.900 -0.712 518 HD12 LEU 85 2HD1 LEU 85 -9.610 -4.597 0.248 519 HD13 LEU 85 3HD1 LEU 85 -10.100 -2.911 0.501 520 HD21 LEU 85 3HD2 LEU 85 -7.930 -1.917 0.067 521 HD22 LEU 85 1HD2 LEU 85 -7.219 -3.542 -0.030 522 HD23 LEU 85 2HD2 LEU 85 -6.966 -2.377 -1.347 523 H ASP 86 H ASP 86 -12.076 -4.074 -2.658 524 HA ASP 86 HA ASP 86 -13.682 -2.892 -3.688 525 HB2 ASP 86 1HB ASP 86 -12.043 -1.048 -3.186 526 HB3 ASP 86 2HB ASP 86 -11.493 -1.144 -4.857 527 H SER 87 H SER 87 -12.884 -5.226 -4.996 528 HA SER 87 HA SER 87 -13.185 -6.454 -6.878 529 HB2 SER 87 1HB SER 87 -14.740 -4.085 -7.962 530 HB3 SER 87 2HB SER 87 -14.782 -5.751 -8.546 531 HG SER 87 HG SER 87 -16.538 -5.271 -7.120 532 H LYS 88 H LYS 88 -10.846 -4.472 -6.729 533 HA LYS 88 HA LYS 88 -10.005 -4.574 -9.605 534 HB2 LYS 88 1HB LYS 88 -9.591 -2.545 -7.397 535 HB3 LYS 88 2HB LYS 88 -8.299 -2.777 -8.559 536 HG2 LYS 88 1HG LYS 88 -11.141 -2.259 -9.495 537 HG3 LYS 88 2HG LYS 88 -10.065 -0.935 -9.012 538 HD2 LYS 88 1HD LYS 88 -8.384 -1.645 -10.663 539 HD3 LYS 88 2HD LYS 88 -9.439 -2.969 -11.199 540 HE2 LYS 88 1HE LYS 88 -11.148 -1.374 -11.933 541 HE3 LYS 88 2HE LYS 88 -10.234 -0.024 -11.258 542 HZ1 LYS 88 3HZ LYS 88 -9.810 -0.159 -13.611 543 HZ2 LYS 88 1HZ LYS 88 -8.425 -0.598 -12.845 544 HZ3 LYS 88 2HZ LYS 88 -9.378 -1.733 -13.526 545 H THR 89 H THR 89 -8.301 -5.822 -10.046 546 HA THR 89 HA THR 89 -7.137 -7.550 -8.037 547 HB THR 89 HB THR 89 -6.215 -7.117 -10.903 548 HG1 THR 89 1HG THR 89 -7.672 -8.805 -11.345 549 HG21 THR 89 3HG2 THR 89 -5.460 -9.472 -10.691 550 HG22 THR 89 1HG2 THR 89 -4.661 -8.454 -9.485 551 HG23 THR 89 2HG2 THR 89 -6.008 -9.504 -9.000 552 H ILE 90 H ILE 90 -5.486 -7.071 -6.721 553 HA ILE 90 HA ILE 90 -3.786 -4.694 -7.374 554 HB ILE 90 HB ILE 90 -3.385 -4.370 -5.039 555 HG12 ILE 90 1HG1 ILE 90 -5.235 -6.684 -4.411 556 HG13 ILE 90 2HG1 ILE 90 -3.474 -6.643 -4.201 557 HG21 ILE 90 1HG2 ILE 90 -5.403 -3.362 -6.171 558 HG22 ILE 90 2HG2 ILE 90 -6.385 -4.709 -5.560 559 HG23 ILE 90 3HG2 ILE 90 -5.661 -3.580 -4.437 560 HD11 ILE 90 3HD1 ILE 90 -4.371 -6.186 -2.062 561 HD12 ILE 90 1HD1 ILE 90 -3.796 -4.618 -2.689 562 HD13 ILE 90 2HD1 ILE 90 -5.531 -5.011 -2.700 563 H ASP 91 H ASP 91 -1.610 -4.697 -6.962 564 HA ASP 91 HA ASP 91 -0.275 -7.376 -7.116 565 HB2 ASP 91 1HB ASP 91 -0.650 -6.411 -9.334 566 HB3 ASP 91 2HB ASP 91 0.149 -4.923 -8.831 567 HA PRO 92 HA PRO 92 1.783 -4.715 -3.930 568 HB2 PRO 92 1HB PRO 92 1.549 -6.388 -1.752 569 HB3 PRO 92 2HB PRO 92 0.315 -5.198 -2.248 570 HG2 PRO 92 1HG PRO 92 0.346 -8.167 -2.786 571 HG3 PRO 92 2HG PRO 92 -1.047 -7.100 -2.348 572 HD2 PRO 92 1HD PRO 92 -0.517 -7.912 -4.905 573 HD3 PRO 92 2HD PRO 92 -1.314 -6.370 -4.467 574 H LYS 93 H LYS 93 3.841 -4.879 -3.143 575 HA LYS 93 HA LYS 93 5.525 -7.254 -3.537 576 HB2 LYS 93 1HB LYS 93 6.906 -6.143 -5.287 577 HB3 LYS 93 2HB LYS 93 5.264 -6.486 -5.826 578 HG2 LYS 93 1HG LYS 93 4.616 -4.134 -5.464 579 HG3 LYS 93 2HG LYS 93 6.218 -3.763 -4.820 580 HD2 LYS 93 1HD LYS 93 6.084 -2.963 -7.097 581 HD3 LYS 93 2HD LYS 93 7.232 -4.298 -7.009 582 HE2 LYS 93 1HE LYS 93 5.928 -4.572 -9.013 583 HE3 LYS 93 2HE LYS 93 5.472 -5.849 -7.886 584 HZ1 LYS 93 3HZ LYS 93 3.521 -4.902 -8.879 585 HZ2 LYS 93 1HZ LYS 93 3.490 -4.497 -7.311 586 HZ3 LYS 93 2HZ LYS 93 3.907 -3.378 -8.449 587 H VAL 94 H VAL 94 7.888 -6.682 -3.093 588 HA VAL 94 HA VAL 94 8.030 -5.478 -0.505 589 HB VAL 94 HB VAL 94 10.316 -6.174 -2.394 590 HG11 VAL 94 1HG1 VAL 94 11.150 -4.645 -0.662 591 HG12 VAL 94 2HG1 VAL 94 10.340 -5.592 0.607 592 HG13 VAL 94 3HG1 VAL 94 11.699 -6.280 -0.306 593 HG21 VAL 94 3HG2 VAL 94 10.492 -8.226 -0.975 594 HG22 VAL 94 1HG2 VAL 94 9.014 -7.742 -0.117 595 HG23 VAL 94 2HG2 VAL 94 8.962 -8.149 -1.846 596 H ALA 95 H ALA 95 8.576 -3.502 0.230 597 HA ALA 95 HA ALA 95 8.432 -1.267 -1.654 598 HB1 ALA 95 1HB ALA 95 7.169 -1.256 0.463 599 HB2 ALA 95 2HB ALA 95 8.682 -1.376 1.383 600 HB3 ALA 95 3HB ALA 95 8.331 0.078 0.428 601 H PHE 96 H PHE 96 9.996 0.115 -2.264 602 HA PHE 96 HA PHE 96 12.787 -0.233 -1.707 603 HB2 PHE 96 1HB PHE 96 11.320 2.275 -2.611 604 HB3 PHE 96 2HB PHE 96 13.037 1.976 -2.774 605 HD1 PHE 96 1HD PHE 96 12.501 -1.088 -3.768 606 HD2 PHE 96 2HD PHE 96 11.160 2.840 -4.963 607 HE1 PHE 96 1HE PHE 96 12.102 -1.915 -6.060 608 HE2 PHE 96 2HE PHE 96 10.768 2.000 -7.261 609 HZ PHE 96 HZ PHE 96 11.229 -0.381 -7.814 610 HA PRO 97 HA PRO 97 13.065 1.408 2.343 611 HB2 PRO 97 1HB PRO 97 15.612 2.445 2.477 612 HB3 PRO 97 2HB PRO 97 15.252 0.696 2.368 613 HG2 PRO 97 1HG PRO 97 15.943 2.598 0.102 614 HG3 PRO 97 2HG PRO 97 16.679 1.001 0.468 615 HD2 PRO 97 1HD PRO 97 14.723 1.236 -1.379 616 HD3 PRO 97 2HD PRO 97 14.736 -0.157 -0.256 617 H ARG 98 H ARG 98 13.402 3.346 3.694 618 HA ARG 98 HA ARG 98 12.099 5.662 2.592 619 HB2 ARG 98 1HB ARG 98 13.509 5.221 5.259 620 HB3 ARG 98 2HB ARG 98 12.583 6.664 4.839 621 HG2 ARG 98 1HG ARG 98 10.555 5.197 4.463 622 HG3 ARG 98 2HG ARG 98 11.502 3.824 5.079 623 HD2 ARG 98 1HD ARG 98 11.941 5.212 7.169 624 HD3 ARG 98 2HD ARG 98 10.770 6.384 6.566 625 HE ARG 98 HE ARG 98 10.277 3.740 7.722 626 HH11 ARG 98 1HH1 ARG 98 8.704 6.248 5.741 627 HH12 ARG 98 2HH1 ARG 98 7.127 5.786 6.326 628 HH21 ARG 98 1HH2 ARG 98 8.209 3.186 8.314 629 HH22 ARG 98 2HH2 ARG 98 6.838 4.009 7.608 630 H ARG 99 H ARG 99 12.872 7.619 2.031 631 HA ARG 99 HA ARG 99 15.764 7.933 1.470 632 HB2 ARG 99 1HB ARG 99 13.935 8.497 -0.175 633 HB3 ARG 99 2HB ARG 99 13.490 9.858 0.847 634 HG2 ARG 99 1HG ARG 99 16.264 9.446 -0.351 635 HG3 ARG 99 2HG ARG 99 14.966 10.343 -1.144 636 HD2 ARG 99 1HD ARG 99 14.888 11.922 0.790 637 HD3 ARG 99 2HD ARG 99 16.296 11.092 1.489 638 HE ARG 99 HE ARG 99 16.959 11.779 -1.160 639 HH11 ARG 99 1HH1 ARG 99 16.287 13.508 1.856 640 HH12 ARG 99 2HH1 ARG 99 17.305 14.848 1.418 641 HH21 ARG 99 1HH2 ARG 99 18.247 13.542 -1.663 642 HH22 ARG 99 2HH2 ARG 99 18.393 14.866 -0.548 643 H ALA 100 H ALA 100 16.864 8.364 3.252 644 HA ALA 100 HA ALA 100 17.649 9.251 5.187 645 HB1 ALA 100 1HB ALA 100 17.496 11.393 3.885 646 HB2 ALA 100 2HB ALA 100 15.915 11.696 4.643 647 HB3 ALA 100 3HB ALA 100 17.381 11.602 5.634 648 H GLN 101 H GLN 101 16.473 10.703 7.277 649 HA GLN 101 HA GLN 101 14.826 8.619 8.498 650 HB2 GLN 101 1HB GLN 101 15.816 11.309 9.530 651 HB3 GLN 101 2HB GLN 101 14.875 10.150 10.480 652 HG2 GLN 101 1HG GLN 101 16.653 8.437 10.174 653 HG3 GLN 101 2HG GLN 101 17.611 9.591 9.246 654 HE21 GLN 101 2HE2 GLN 101 19.152 8.810 11.120 655 HE22 GLN 101 1HE2 GLN 101 19.130 9.840 12.544 656 HA PRO 102 HA PRO 102 11.014 10.610 7.285 657 HB2 PRO 102 1HB PRO 102 9.174 9.151 8.664 658 HB3 PRO 102 2HB PRO 102 10.155 8.454 7.341 659 HG2 PRO 102 1HG PRO 102 10.691 8.315 10.332 660 HG3 PRO 102 2HG PRO 102 10.663 6.960 9.159 661 HD2 PRO 102 1HD PRO 102 12.986 8.185 9.908 662 HD3 PRO 102 2HD PRO 102 12.738 7.596 8.235 663 H LYS 103 H LYS 103 9.119 11.720 8.154 664 HA LYS 103 HA LYS 103 9.136 12.724 10.917 665 HB2 LYS 103 1HB LYS 103 10.822 14.120 9.719 666 HB3 LYS 103 2HB LYS 103 9.575 14.613 8.566 667 HG2 LYS 103 1HG LYS 103 8.260 15.614 10.430 668 HG3 LYS 103 2HG LYS 103 9.508 15.121 11.581 669 HD2 LYS 103 1HD LYS 103 9.911 17.047 9.247 670 HD3 LYS 103 2HD LYS 103 9.630 17.520 10.929 671 HE2 LYS 103 1HE LYS 103 11.704 16.313 11.610 672 HE3 LYS 103 2HE LYS 103 12.011 15.901 9.918 673 HZ1 LYS 103 3HZ LYS 103 13.243 17.881 10.578 674 HZ2 LYS 103 1HZ LYS 103 12.155 18.286 9.432 675 HZ3 LYS 103 2HZ LYS 103 11.877 18.666 10.997 676 H5' G 104 H5' G 104 -4.809 -0.433 -11.503 677 H5'' G 104 H5" G 104 -6.251 0.467 -11.016 678 H4' G 104 H4' G 104 -4.775 0.872 -13.659 679 H3' G 104 H3' G 104 -3.728 1.650 -11.246 680 H2' G 104 H2' G 104 -5.598 2.805 -10.413 681 HO2' G 104 HO2 G 104 -3.958 4.563 -11.875 682 H1' G 104 H1' G 104 -6.178 4.078 -13.079 683 H8 G 104 8H G 104 -7.798 2.158 -10.087 684 H1 G 104 1H G 104 -11.513 6.531 -13.012 685 H21 G 104 1H2 G 104 -10.373 7.390 -14.758 686 H22 G 104 2H2 G 104 -8.755 6.809 -15.106 687 HO5' G 104 H5T G 104 -5.948 -1.318 -13.240 688 H5' U 105 H5' U 105 -1.930 2.692 -10.384 689 H5'' U 105 H5" U 105 -0.846 3.706 -11.335 690 H4' U 105 H4' U 105 0.123 2.961 -9.205 691 H3' U 105 H3' U 105 1.457 3.106 -11.588 692 H2' U 105 H2' U 105 1.195 0.837 -12.143 693 HO2' U 105 HO2 U 105 3.677 1.415 -11.275 694 H1' U 105 H1' U 105 1.847 0.067 -9.294 695 H3 U 105 3H U 105 1.694 -4.308 -10.582 696 H5 U 105 5H U 105 -1.606 -2.649 -12.542 697 H6 U 105 6H U 105 -1.037 -0.480 -11.595 698 H5' A 106 H5' A 106 3.252 4.408 -7.345 699 H5'' A 106 H5" A 106 3.486 5.804 -8.390 700 H4' A 106 H4' A 106 4.519 6.256 -6.296 701 H3' A 106 H3' A 106 5.909 6.614 -8.621 702 H2' A 106 H2' A 106 6.958 4.489 -8.624 703 HO2' A 106 HO2 A 106 8.623 6.408 -7.428 704 H1' A 106 H1' A 106 7.579 4.745 -5.679 705 H8 A 106 8H A 106 6.590 2.261 -8.514 706 H61 A 106 1H6 A 106 8.699 -1.950 -4.342 707 H62 A 106 2H6 A 106 8.145 -1.801 -6.012 708 H2 A 106 2H A 106 8.814 1.917 -2.484 709 H5' G 107 H5' G 107 7.518 8.419 -4.123 710 H5'' G 107 H5" G 107 6.839 6.809 -3.873 711 H4' G 107 H4' G 107 5.410 9.049 -2.489 712 H3' G 107 H3' G 107 8.207 8.168 -1.723 713 H2' G 107 H2' G 107 7.582 8.600 0.516 714 HO2' G 107 HO2 G 107 6.405 10.665 -0.257 715 H1' G 107 H1' G 107 4.877 7.826 0.114 716 H8 G 107 8H G 107 4.568 6.031 1.764 717 H1 G 107 1H G 107 10.654 3.973 1.348 718 H21 G 107 1H2 G 107 11.703 5.090 -0.256 719 H22 G 107 2H2 G 107 10.824 6.253 -1.247 720 H5' U 108 H5' U 108 10.980 11.570 0.486 721 H5'' U 108 H5" U 108 11.388 9.912 0.024 722 H4' U 108 H4' U 108 11.668 10.138 2.398 723 H3' U 108 H3' U 108 9.824 8.195 1.331 724 HO3' U 108 H3T U 108 10.522 7.481 3.673 725 H2' U 108 H2' U 108 7.982 8.975 2.511 726 HO2' U 108 HO2 U 108 7.806 8.023 4.559 727 H1' U 108 H1' U 108 9.815 10.099 4.637 728 H3 U 108 3H U 108 6.673 12.524 6.812 729 H5 U 108 5H U 108 5.064 12.205 2.941 730 H6 U 108 6H U 108 7.053 10.987 2.254 Start of MODEL 8 1 H CYS 20 1H CYS 20 10.466 -4.417 6.647 2 HA CYS 20 HA CYS 20 9.000 -6.316 6.485 3 HB2 CYS 20 1HB CYS 20 7.663 -5.234 9.013 4 HB3 CYS 20 2HB CYS 20 7.244 -6.696 8.128 5 HG CYS 20 HG CYS 20 8.437 -7.229 10.453 6 H LYS 21 H LYS 21 8.909 -4.554 4.656 7 HA LYS 21 HA LYS 21 6.298 -3.142 4.759 8 HB2 LYS 21 1HB LYS 21 8.071 -1.636 5.674 9 HB3 LYS 21 2HB LYS 21 8.926 -1.728 4.131 10 HG2 LYS 21 1HG LYS 21 7.111 -0.621 2.972 11 HG3 LYS 21 2HG LYS 21 6.029 -0.813 4.358 12 HD2 LYS 21 1HD LYS 21 7.438 0.745 5.679 13 HD3 LYS 21 2HD LYS 21 8.505 0.961 4.275 14 HE2 LYS 21 1HE LYS 21 6.711 1.883 2.945 15 HE3 LYS 21 2HE LYS 21 5.493 1.460 4.163 16 HZ1 LYS 21 3HZ LYS 21 6.341 3.844 4.038 17 HZ2 LYS 21 1HZ LYS 21 6.170 3.188 5.531 18 HZ3 LYS 21 2HZ LYS 21 7.667 3.322 4.830 19 H MET 22 H MET 22 5.346 -2.597 2.879 20 HA MET 22 HA MET 22 6.410 -3.734 0.334 21 HB2 MET 22 1HB MET 22 3.684 -4.274 1.586 22 HB3 MET 22 2HB MET 22 4.217 -4.804 -0.013 23 HG2 MET 22 1HG MET 22 6.098 -6.071 1.111 24 HG3 MET 22 2HG MET 22 5.409 -5.612 2.662 25 HE1 MET 22 3HE MET 22 3.927 -8.714 -0.339 26 HE2 MET 22 1HE MET 22 3.725 -7.006 -0.784 27 HE3 MET 22 2HE MET 22 5.343 -7.653 -0.428 28 H PHE 23 H PHE 23 5.844 -2.763 -1.439 29 HA PHE 23 HA PHE 23 4.250 -0.258 -1.511 30 HB2 PHE 23 1HB PHE 23 6.326 -0.190 -2.733 31 HB3 PHE 23 2HB PHE 23 6.055 -1.780 -3.433 32 HD1 PHE 23 1HD PHE 23 4.394 -2.123 -5.244 33 HD2 PHE 23 2HD PHE 23 5.312 1.807 -3.743 34 HE1 PHE 23 1HE PHE 23 3.368 -1.112 -7.265 35 HE2 PHE 23 2HE PHE 23 4.311 2.801 -5.772 36 HZ PHE 23 HZ PHE 23 3.335 1.366 -7.535 37 H ILE 24 H ILE 24 2.232 -0.233 -2.470 38 HA ILE 24 HA ILE 24 1.055 -2.874 -3.313 39 HB ILE 24 HB ILE 24 -0.491 -0.650 -1.959 40 HG12 ILE 24 1HG1 ILE 24 1.130 -1.249 -0.281 41 HG13 ILE 24 2HG1 ILE 24 -0.481 -1.786 0.130 42 HG21 ILE 24 1HG2 ILE 24 -1.741 -2.298 -3.301 43 HG22 ILE 24 2HG2 ILE 24 -1.049 -3.620 -2.357 44 HG23 ILE 24 3HG2 ILE 24 -2.121 -2.443 -1.577 45 HD11 ILE 24 3HD1 ILE 24 1.329 -3.401 0.740 46 HD12 ILE 24 1HD1 ILE 24 0.086 -4.099 -0.300 47 HD13 ILE 24 2HD1 ILE 24 1.664 -3.649 -0.978 48 H GLY 25 H GLY 25 1.164 -2.653 -5.524 49 HA2 GLY 25 1HA GLY 25 0.261 -0.148 -6.846 50 HA3 GLY 25 2HA GLY 25 0.971 -1.584 -7.610 51 H GLY 26 H GLY 26 -1.165 -0.415 -8.789 52 HA2 GLY 26 1HA GLY 26 -2.974 -1.210 -9.970 53 HA3 GLY 26 2HA GLY 26 -2.835 -2.750 -9.101 54 H LEU 27 H LEU 27 -3.274 0.105 -7.164 55 HA LEU 27 HA LEU 27 -5.737 -0.906 -6.008 56 HB2 LEU 27 1HB LEU 27 -4.381 1.812 -5.730 57 HB3 LEU 27 2HB LEU 27 -5.697 1.227 -4.736 58 HG LEU 27 HG LEU 27 -2.872 0.088 -4.790 59 HD11 LEU 27 1HD1 LEU 27 -3.237 2.292 -3.640 60 HD12 LEU 27 2HD1 LEU 27 -4.458 1.536 -2.619 61 HD13 LEU 27 3HD1 LEU 27 -2.766 0.996 -2.522 62 HD21 LEU 27 3HD2 LEU 27 -3.788 -1.224 -2.764 63 HD22 LEU 27 1HD2 LEU 27 -5.391 -0.932 -3.463 64 HD23 LEU 27 2HD2 LEU 27 -4.145 -1.796 -4.393 65 H SER 28 H SER 28 -7.681 0.467 -5.741 66 HA SER 28 HA SER 28 -8.689 1.502 -8.336 67 HB2 SER 28 1HB SER 28 -10.146 0.054 -6.989 68 HB3 SER 28 2HB SER 28 -9.973 1.135 -5.603 69 HG SER 28 HG SER 28 -11.907 1.450 -6.751 70 H TRP 29 H TRP 29 -9.380 3.676 -8.600 71 HA TRP 29 HA TRP 29 -8.104 5.775 -7.101 72 HB2 TRP 29 1HB TRP 29 -10.411 5.689 -9.048 73 HB3 TRP 29 2HB TRP 29 -9.838 7.185 -8.310 74 HD1 TRP 29 HD TRP 29 -6.766 5.400 -8.925 75 HE1 TRP 29 1HE TRP 29 -5.694 5.999 -11.146 76 HE3 TRP 29 3HE TRP 29 -10.776 7.684 -11.150 77 HZ2 TRP 29 2HZ TRP 29 -6.418 7.455 -13.552 78 HZ3 TRP 29 3HZ TRP 29 -10.556 8.653 -13.425 79 HH2 TRP 29 HH TRP 29 -8.385 8.553 -14.629 80 H GLN 30 H GLN 30 -10.771 3.811 -6.253 81 HA GLN 30 HA GLN 30 -11.811 5.781 -4.271 82 HB2 GLN 30 1HB GLN 30 -12.786 2.963 -4.773 83 HB3 GLN 30 2HB GLN 30 -13.617 4.262 -3.927 84 HG2 GLN 30 1HG GLN 30 -13.725 5.530 -6.119 85 HG3 GLN 30 2HG GLN 30 -13.092 4.084 -6.924 86 HE21 GLN 30 2HE2 GLN 30 -14.442 1.927 -6.064 87 HE22 GLN 30 1HE2 GLN 30 -16.178 2.182 -6.212 88 H THR 31 H THR 31 -9.308 3.437 -4.330 89 HA THR 31 HA THR 31 -9.753 2.208 -1.758 90 HB THR 31 HB THR 31 -7.162 2.524 -3.332 91 HG1 THR 31 1HG THR 31 -9.066 0.409 -3.217 92 HG21 THR 31 3HG2 THR 31 -6.575 0.395 -2.082 93 HG22 THR 31 1HG2 THR 31 -6.623 1.840 -1.072 94 HG23 THR 31 2HG2 THR 31 -7.973 0.681 -1.034 95 H THR 32 H THR 32 -9.084 2.749 0.230 96 HA THR 32 HA THR 32 -7.483 5.233 0.670 97 HB THR 32 HB THR 32 -8.702 5.583 2.748 98 HG1 THR 32 1HG THR 32 -10.587 4.228 3.092 99 HG21 THR 32 3HG2 THR 32 -10.863 6.261 1.911 100 HG22 THR 32 1HG2 THR 32 -9.659 6.566 0.646 101 HG23 THR 32 2HG2 THR 32 -10.742 5.162 0.522 102 H GLN 33 H GLN 33 -6.251 5.184 2.702 103 HA GLN 33 HA GLN 33 -4.793 2.705 3.013 104 HB2 GLN 33 1HB GLN 33 -3.569 3.955 4.796 105 HB3 GLN 33 2HB GLN 33 -3.581 4.632 3.178 106 HG2 GLN 33 1HG GLN 33 -5.404 6.245 3.952 107 HG3 GLN 33 2HG GLN 33 -5.064 5.684 5.595 108 HE21 GLN 33 2HE2 GLN 33 -3.691 7.219 6.609 109 HE22 GLN 33 1HE2 GLN 33 -2.413 8.075 5.762 110 H GLU 34 H GLU 34 -7.572 3.961 4.677 111 HA GLU 34 HA GLU 34 -7.456 2.021 6.870 112 HB2 GLU 34 1HB GLU 34 -9.781 3.597 5.685 113 HB3 GLU 34 2HB GLU 34 -9.878 2.560 7.115 114 HG2 GLU 34 1HG GLU 34 -8.150 3.956 8.243 115 HG3 GLU 34 2HG GLU 34 -8.112 5.032 6.843 116 H GLY 35 H GLY 35 -8.804 2.104 3.547 117 HA2 GLY 35 1HA GLY 35 -10.051 -0.496 3.598 118 HA3 GLY 35 2HA GLY 35 -9.567 0.439 2.163 119 H LEU 36 H LEU 36 -6.729 0.618 2.761 120 HA LEU 36 HA LEU 36 -5.751 -1.982 2.054 121 HB2 LEU 36 1HB LEU 36 -4.167 0.243 3.441 122 HB3 LEU 36 2HB LEU 36 -3.511 -1.167 2.645 123 HG LEU 36 HG LEU 36 -4.844 1.211 1.329 124 HD11 LEU 36 1HD1 LEU 36 -2.448 1.394 1.975 125 HD12 LEU 36 2HD1 LEU 36 -2.091 -0.049 1.001 126 HD13 LEU 36 3HD1 LEU 36 -2.676 1.426 0.215 127 HD21 LEU 36 3HD2 LEU 36 -4.434 0.048 -0.829 128 HD22 LEU 36 1HD2 LEU 36 -4.085 -1.449 0.064 129 HD23 LEU 36 2HD2 LEU 36 -5.699 -0.694 0.146 130 H ARG 37 H ARG 37 -5.759 -0.387 5.308 131 HA ARG 37 HA ARG 37 -4.726 -2.653 6.676 132 HB2 ARG 37 1HB ARG 37 -4.988 -0.402 7.676 133 HB3 ARG 37 2HB ARG 37 -6.747 -0.586 7.669 134 HG2 ARG 37 1HG ARG 37 -6.583 -2.502 9.229 135 HG3 ARG 37 2HG ARG 37 -4.816 -2.413 9.162 136 HD2 ARG 37 1HD ARG 37 -5.035 -0.026 10.018 137 HD3 ARG 37 2HD ARG 37 -6.753 -0.351 10.248 138 HE ARG 37 HE ARG 37 -6.172 -2.145 11.827 139 HH11 ARG 37 1HH1 ARG 37 -3.613 0.253 11.297 140 HH12 ARG 37 2HH1 ARG 37 -2.801 -0.173 12.774 141 HH21 ARG 37 1HH2 ARG 37 -5.087 -2.604 13.718 142 HH22 ARG 37 2HH2 ARG 37 -3.637 -1.741 14.129 143 H GLU 38 H GLU 38 -8.090 -1.910 5.793 144 HA GLU 38 HA GLU 38 -9.344 -4.049 7.072 145 HB2 GLU 38 1HB GLU 38 -10.210 -1.960 5.566 146 HB3 GLU 38 2HB GLU 38 -10.380 -3.241 4.363 147 HG2 GLU 38 1HG GLU 38 -11.695 -4.553 6.059 148 HG3 GLU 38 2HG GLU 38 -11.513 -3.194 7.179 149 H TYR 39 H TYR 39 -7.656 -4.054 3.930 150 HA TYR 39 HA TYR 39 -8.357 -6.857 3.344 151 HB2 TYR 39 1HB TYR 39 -8.200 -5.089 1.612 152 HB3 TYR 39 2HB TYR 39 -6.479 -4.924 1.939 153 HD1 TYR 39 2HD TYR 39 -9.104 -7.405 0.930 154 HD2 TYR 39 1HD TYR 39 -4.915 -6.387 0.864 155 HE1 TYR 39 2HE TYR 39 -8.656 -9.371 -0.518 156 HE2 TYR 39 1HE TYR 39 -4.459 -8.337 -0.597 157 HH TYR 39 HH TYR 39 -7.072 -10.628 -1.570 158 H PHE 40 H PHE 40 -5.491 -5.035 4.412 159 HA PHE 40 HA PHE 40 -3.800 -7.383 4.250 160 HB2 PHE 40 1HB PHE 40 -3.322 -4.479 4.866 161 HB3 PHE 40 2HB PHE 40 -2.072 -5.650 5.160 162 HD1 PHE 40 2HD PHE 40 -1.715 -7.443 3.135 163 HD2 PHE 40 1HD PHE 40 -3.451 -3.529 2.660 164 HE1 PHE 40 2HE PHE 40 -1.300 -7.547 0.697 165 HE2 PHE 40 1HE PHE 40 -3.034 -3.638 0.229 166 HZ PHE 40 HZ PHE 40 -1.961 -5.648 -0.765 167 H GLY 41 H GLY 41 -5.670 -6.066 6.832 168 HA2 GLY 41 1HA GLY 41 -4.315 -7.246 9.050 169 HA3 GLY 41 2HA GLY 41 -6.049 -6.882 8.946 170 H GLN 42 H GLN 42 -5.794 -8.850 6.422 171 HA GLN 42 HA GLN 42 -6.627 -11.300 7.760 172 HB2 GLN 42 1HB GLN 42 -5.829 -10.807 4.855 173 HB3 GLN 42 2HB GLN 42 -6.701 -12.209 5.479 174 HG2 GLN 42 1HG GLN 42 -8.598 -10.719 6.136 175 HG3 GLN 42 2HG GLN 42 -7.731 -9.343 5.453 176 HE21 GLN 42 2HE2 GLN 42 -7.219 -9.418 3.082 177 HE22 GLN 42 1HE2 GLN 42 -8.320 -10.308 2.031 178 H PHE 43 H PHE 43 -3.561 -10.039 6.603 179 HA PHE 43 HA PHE 43 -2.253 -12.714 6.703 180 HB2 PHE 43 1HB PHE 43 -1.208 -10.065 5.638 181 HB3 PHE 43 2HB PHE 43 -0.501 -11.650 5.408 182 HD1 PHE 43 2HD PHE 43 -1.639 -13.332 3.908 183 HD2 PHE 43 1HD PHE 43 -3.099 -9.320 4.314 184 HE1 PHE 43 2HE PHE 43 -3.018 -13.633 1.868 185 HE2 PHE 43 1HE PHE 43 -4.479 -9.599 2.269 186 HZ PHE 43 HZ PHE 43 -4.457 -11.773 1.054 187 H GLY 44 H GLY 44 -2.145 -9.521 8.255 188 HA2 GLY 44 1HA GLY 44 -1.112 -10.525 10.705 189 HA3 GLY 44 2HA GLY 44 0.216 -9.801 9.815 190 H GLU 45 H GLU 45 -0.511 -8.732 12.234 191 HA GLU 45 HA GLU 45 -2.307 -6.476 11.986 192 HB2 GLU 45 1HB GLU 45 -1.735 -7.523 14.141 193 HB3 GLU 45 2HB GLU 45 -0.059 -6.976 13.981 194 HG2 GLU 45 1HG GLU 45 -0.749 -4.642 14.107 195 HG3 GLU 45 2HG GLU 45 -2.452 -5.087 13.971 196 H VAL 46 H VAL 46 -1.929 -4.539 11.019 197 HA VAL 46 HA VAL 46 0.668 -4.092 9.775 198 HB VAL 46 HB VAL 46 -0.281 -2.378 8.485 199 HG11 VAL 46 1HG1 VAL 46 -0.826 -4.720 7.817 200 HG12 VAL 46 2HG1 VAL 46 -2.387 -4.567 8.660 201 HG13 VAL 46 3HG1 VAL 46 -2.026 -3.536 7.270 202 HG21 VAL 46 3HG2 VAL 46 -2.678 -1.701 8.675 203 HG22 VAL 46 1HG2 VAL 46 -2.720 -2.479 10.269 204 HG23 VAL 46 2HG2 VAL 46 -1.633 -1.094 9.953 205 H LYS 47 H LYS 47 2.087 -2.558 10.175 206 HA LYS 47 HA LYS 47 2.019 -1.054 12.727 207 HB2 LYS 47 1HB LYS 47 3.931 -2.472 11.999 208 HB3 LYS 47 2HB LYS 47 4.177 -1.423 10.602 209 HG2 LYS 47 1HG LYS 47 4.664 0.488 12.102 210 HG3 LYS 47 2HG LYS 47 4.366 -0.532 13.514 211 HD2 LYS 47 1HD LYS 47 6.578 -0.920 11.445 212 HD3 LYS 47 2HD LYS 47 6.768 -0.212 13.055 213 HE2 LYS 47 1HE LYS 47 5.972 -2.379 14.061 214 HE3 LYS 47 2HE LYS 47 5.933 -3.079 12.434 215 HZ1 LYS 47 3HZ LYS 47 8.008 -3.597 13.568 216 HZ2 LYS 47 1HZ LYS 47 8.322 -2.660 12.266 217 HZ3 LYS 47 2HZ LYS 47 8.359 -2.016 13.770 218 H GLU 48 H GLU 48 1.662 -0.484 9.303 219 HA GLU 48 HA GLU 48 0.825 2.279 9.589 220 HB2 GLU 48 1HB GLU 48 3.229 2.669 9.736 221 HB3 GLU 48 2HB GLU 48 3.535 1.618 8.362 222 HG2 GLU 48 1HG GLU 48 2.394 3.219 6.855 223 HG3 GLU 48 2HG GLU 48 2.071 4.276 8.236 224 H CYS 49 H CYS 49 -0.519 2.748 7.900 225 HA CYS 49 HA CYS 49 -0.270 1.252 5.334 226 HB2 CYS 49 1HB CYS 49 -2.813 1.837 6.902 227 HB3 CYS 49 2HB CYS 49 -2.807 1.565 5.152 228 HG CYS 49 HG CYS 49 -3.555 -0.631 6.281 229 H LEU 50 H LEU 50 -0.419 2.571 3.518 230 HA LEU 50 HA LEU 50 -1.063 5.465 3.822 231 HB2 LEU 50 1HB LEU 50 1.512 4.215 2.827 232 HB3 LEU 50 2HB LEU 50 1.022 5.824 2.330 233 HG LEU 50 HG LEU 50 1.604 5.003 5.200 234 HD11 LEU 50 1HD1 LEU 50 3.599 5.039 3.733 235 HD12 LEU 50 2HD1 LEU 50 3.185 6.678 3.183 236 HD13 LEU 50 3HD1 LEU 50 3.633 6.387 4.881 237 HD21 LEU 50 3HD2 LEU 50 1.560 7.477 5.614 238 HD22 LEU 50 1HD2 LEU 50 0.958 7.724 3.959 239 HD23 LEU 50 2HD2 LEU 50 -0.026 6.853 5.157 240 H VAL 51 H VAL 51 -1.969 6.394 2.069 241 HA VAL 51 HA VAL 51 -1.705 5.088 -0.614 242 HB VAL 51 HB VAL 51 -4.280 6.189 0.586 243 HG11 VAL 51 1HG1 VAL 51 -4.105 7.086 -1.697 244 HG12 VAL 51 2HG1 VAL 51 -3.687 5.477 -2.326 245 HG13 VAL 51 3HG1 VAL 51 -5.302 5.798 -1.656 246 HG21 VAL 51 3HG2 VAL 51 -5.184 3.978 -0.102 247 HG22 VAL 51 1HG2 VAL 51 -3.573 3.494 -0.665 248 HG23 VAL 51 2HG2 VAL 51 -3.865 3.808 1.060 249 H MET 52 H MET 52 -1.011 6.427 -2.110 250 HA MET 52 HA MET 52 -0.157 9.112 -1.242 251 HB2 MET 52 1HB MET 52 0.574 7.321 -3.584 252 HB3 MET 52 2HB MET 52 1.295 8.912 -3.283 253 HG2 MET 52 1HG MET 52 1.415 6.663 -1.241 254 HG3 MET 52 2HG MET 52 2.636 6.953 -2.458 255 HE1 MET 52 3HE MET 52 2.322 8.848 1.559 256 HE2 MET 52 1HE MET 52 0.871 8.273 0.704 257 HE3 MET 52 2HE MET 52 2.232 7.161 0.998 258 H ARG 53 H ARG 53 -2.843 9.205 -1.569 259 HA ARG 53 HA ARG 53 -3.694 9.784 -4.216 260 HB2 ARG 53 1HB ARG 53 -5.814 10.420 -3.280 261 HB3 ARG 53 2HB ARG 53 -5.221 8.988 -2.449 262 HG2 ARG 53 1HG ARG 53 -4.494 10.417 -0.531 263 HG3 ARG 53 2HG ARG 53 -5.155 11.836 -1.374 264 HD2 ARG 53 1HD ARG 53 -7.394 10.778 -1.406 265 HD3 ARG 53 2HD ARG 53 -6.741 9.378 -0.528 266 HE ARG 53 HE ARG 53 -6.089 11.667 0.976 267 HH11 ARG 53 1HH1 ARG 53 -9.067 9.994 0.041 268 HH12 ARG 53 2HH1 ARG 53 -9.923 10.543 1.450 269 HH21 ARG 53 1HH2 ARG 53 -7.256 12.337 2.770 270 HH22 ARG 53 2HH2 ARG 53 -8.910 11.847 2.972 271 H ASP 54 H ASP 54 -4.416 11.658 -5.206 272 HA ASP 54 HA ASP 54 -2.931 14.124 -4.714 273 HB2 ASP 54 1HB ASP 54 -3.465 13.275 -6.974 274 HB3 ASP 54 2HB ASP 54 -5.188 13.436 -6.635 275 HA PRO 55 HA PRO 55 -6.167 15.369 -1.873 276 HB2 PRO 55 1HB PRO 55 -5.246 17.791 -1.018 277 HB3 PRO 55 2HB PRO 55 -4.409 16.254 -0.639 278 HG2 PRO 55 1HG PRO 55 -3.779 18.211 -2.874 279 HG3 PRO 55 2HG PRO 55 -2.648 17.490 -1.688 280 HD2 PRO 55 1HD PRO 55 -3.001 16.458 -4.203 281 HD3 PRO 55 2HD PRO 55 -2.671 15.413 -2.788 282 H LEU 56 H LEU 56 -5.702 17.018 -4.902 283 HA LEU 56 HA LEU 56 -8.018 18.845 -4.479 284 HB2 LEU 56 1HB LEU 56 -5.883 18.537 -6.616 285 HB3 LEU 56 2HB LEU 56 -7.403 19.326 -6.970 286 HG LEU 56 HG LEU 56 -7.025 20.987 -5.191 287 HD11 LEU 56 1HD1 LEU 56 -5.578 19.816 -3.617 288 HD12 LEU 56 2HD1 LEU 56 -4.311 19.635 -4.856 289 HD13 LEU 56 3HD1 LEU 56 -4.731 21.239 -4.218 290 HD21 LEU 56 3HD2 LEU 56 -5.254 22.227 -6.379 291 HD22 LEU 56 1HD2 LEU 56 -4.733 20.733 -7.189 292 HD23 LEU 56 2HD2 LEU 56 -6.338 21.421 -7.524 293 H THR 57 H THR 57 -7.016 16.016 -6.474 294 HA THR 57 HA THR 57 -9.784 15.869 -7.592 295 HB THR 57 HB THR 57 -8.864 14.591 -9.378 296 HG1 THR 57 1HG THR 57 -6.566 14.165 -9.355 297 HG21 THR 57 3HG2 THR 57 -7.344 16.145 -10.416 298 HG22 THR 57 1HG2 THR 57 -8.533 17.074 -9.487 299 HG23 THR 57 2HG2 THR 57 -6.887 16.849 -8.852 300 H LYS 58 H LYS 58 -7.935 14.369 -5.233 301 HA LYS 58 HA LYS 58 -8.236 12.687 -3.819 302 HB2 LYS 58 1HB LYS 58 -11.052 12.736 -4.960 303 HB3 LYS 58 2HB LYS 58 -10.569 11.607 -3.714 304 HG2 LYS 58 1HG LYS 58 -11.668 13.526 -2.755 305 HG3 LYS 58 2HG LYS 58 -10.015 13.375 -2.164 306 HD2 LYS 58 1HD LYS 58 -9.280 15.246 -3.504 307 HD3 LYS 58 2HD LYS 58 -10.830 15.298 -4.383 308 HE2 LYS 58 1HE LYS 58 -12.006 15.925 -2.327 309 HE3 LYS 58 2HE LYS 58 -10.519 15.755 -1.382 310 HZ1 LYS 58 3HZ LYS 58 -10.997 18.077 -1.994 311 HZ2 LYS 58 1HZ LYS 58 -9.558 17.580 -2.594 312 HZ3 LYS 58 2HZ LYS 58 -10.861 17.713 -3.587 313 H ARG 59 H ARG 59 -7.792 12.105 -6.967 314 HA ARG 59 HA ARG 59 -8.108 9.245 -7.261 315 HB2 ARG 59 1HB ARG 59 -6.405 11.361 -8.614 316 HB3 ARG 59 2HB ARG 59 -6.100 9.654 -8.906 317 HG2 ARG 59 1HG ARG 59 -7.528 10.501 -10.646 318 HG3 ARG 59 2HG ARG 59 -8.380 9.294 -9.678 319 HD2 ARG 59 1HD ARG 59 -9.632 11.027 -8.513 320 HD3 ARG 59 2HD ARG 59 -8.720 12.292 -9.370 321 HE ARG 59 HE ARG 59 -9.875 10.639 -11.327 322 HH11 ARG 59 1HH1 ARG 59 -11.052 12.817 -8.787 323 HH12 ARG 59 2HH1 ARG 59 -12.513 13.188 -9.661 324 HH21 ARG 59 1HH2 ARG 59 -11.779 11.175 -12.402 325 HH22 ARG 59 2HH2 ARG 59 -12.915 12.271 -11.677 326 H SER 60 H SER 60 -7.000 7.614 -6.467 327 HA SER 60 HA SER 60 -5.040 7.916 -4.378 328 HB2 SER 60 1HB SER 60 -5.118 5.492 -4.329 329 HB3 SER 60 2HB SER 60 -6.765 6.111 -4.582 330 HG SER 60 HG SER 60 -6.445 4.486 -6.048 331 H ARG 61 H ARG 61 -4.583 8.105 -7.695 332 HA ARG 61 HA ARG 61 -2.897 7.880 -9.176 333 HB2 ARG 61 1HB ARG 61 -1.014 7.622 -6.791 334 HB3 ARG 61 2HB ARG 61 -0.534 7.784 -8.472 335 HG2 ARG 61 1HG ARG 61 -1.619 10.003 -8.611 336 HG3 ARG 61 2HG ARG 61 -2.129 9.862 -6.922 337 HD2 ARG 61 1HD ARG 61 -0.134 11.240 -7.035 338 HD3 ARG 61 2HD ARG 61 0.226 9.723 -6.204 339 HE ARG 61 HE ARG 61 0.823 9.868 -9.104 340 HH11 ARG 61 1HH1 ARG 61 2.256 10.065 -5.839 341 HH12 ARG 61 2HH1 ARG 61 3.806 9.499 -6.462 342 HH21 ARG 61 1HH2 ARG 61 2.938 9.199 -9.712 343 HH22 ARG 61 2HH2 ARG 61 4.155 9.073 -8.445 344 H GLY 62 H GLY 62 -4.162 5.432 -7.524 345 HA2 GLY 62 1HA GLY 62 -4.378 3.210 -8.047 346 HA3 GLY 62 2HA GLY 62 -3.118 3.376 -9.288 347 H PHE 63 H PHE 63 -2.135 4.412 -6.083 348 HA PHE 63 HA PHE 63 -1.219 1.772 -5.317 349 HB2 PHE 63 1HB PHE 63 1.068 1.956 -5.652 350 HB3 PHE 63 2HB PHE 63 0.420 2.602 -7.138 351 HD1 PHE 63 1HD PHE 63 0.355 5.164 -7.428 352 HD2 PHE 63 2HD PHE 63 2.400 3.241 -4.157 353 HE1 PHE 63 1HE PHE 63 1.563 7.267 -6.941 354 HE2 PHE 63 2HE PHE 63 3.641 5.333 -3.711 355 HZ PHE 63 HZ PHE 63 3.204 7.358 -5.048 356 H GLY 64 H GLY 64 0.071 1.665 -3.425 357 HA2 GLY 64 1HA GLY 64 0.409 3.989 -1.661 358 HA3 GLY 64 2HA GLY 64 -0.775 2.819 -1.108 359 H PHE 65 H PHE 65 0.553 2.461 0.721 360 HA PHE 65 HA PHE 65 2.655 0.414 0.354 361 HB2 PHE 65 1HB PHE 65 3.059 3.062 1.793 362 HB3 PHE 65 2HB PHE 65 4.023 1.650 2.138 363 HD1 PHE 65 2HD PHE 65 3.313 4.274 -0.397 364 HD2 PHE 65 1HD PHE 65 5.730 0.843 0.644 365 HE1 PHE 65 2HE PHE 65 4.988 4.924 -2.086 366 HE2 PHE 65 1HE PHE 65 7.388 1.499 -1.072 367 HZ PHE 65 HZ PHE 65 7.020 3.562 -2.435 368 H VAL 66 H VAL 66 2.914 -0.944 2.137 369 HA VAL 66 HA VAL 66 1.349 -0.407 4.609 370 HB VAL 66 HB VAL 66 1.069 -2.991 3.027 371 HG11 VAL 66 1HG1 VAL 66 1.177 -3.579 5.400 372 HG12 VAL 66 2HG1 VAL 66 0.031 -2.283 5.808 373 HG13 VAL 66 3HG1 VAL 66 -0.498 -3.685 4.858 374 HG21 VAL 66 3HG2 VAL 66 -1.357 -2.416 3.059 375 HG22 VAL 66 1HG2 VAL 66 -0.972 -0.869 3.837 376 HG23 VAL 66 2HG2 VAL 66 -0.408 -1.206 2.203 377 H THR 67 H THR 67 2.327 -1.014 6.392 378 HA THR 67 HA THR 67 4.877 -2.603 6.326 379 HB THR 67 HB THR 67 4.117 -0.505 8.386 380 HG1 THR 67 1HG THR 67 4.309 0.535 6.417 381 HG21 THR 67 3HG2 THR 67 6.522 -0.467 8.852 382 HG22 THR 67 1HG2 THR 67 5.906 -2.118 9.042 383 HG23 THR 67 2HG2 THR 67 6.815 -1.674 7.588 384 H PHE 68 H PHE 68 5.035 -4.230 7.845 385 HA PHE 68 HA PHE 68 2.568 -4.857 9.431 386 HB2 PHE 68 1HB PHE 68 4.667 -6.646 8.175 387 HB3 PHE 68 2HB PHE 68 3.450 -7.205 9.313 388 HD1 PHE 68 2HD PHE 68 3.953 -5.861 5.884 389 HD2 PHE 68 1HD PHE 68 1.126 -7.464 8.718 390 HE1 PHE 68 2HE PHE 68 2.329 -6.253 4.045 391 HE2 PHE 68 1HE PHE 68 -0.499 -7.837 6.883 392 HZ PHE 68 HZ PHE 68 0.104 -7.244 4.545 393 H MET 69 H MET 69 2.743 -5.717 11.508 394 HA MET 69 HA MET 69 4.936 -4.830 13.190 395 HB2 MET 69 1HB MET 69 2.651 -6.777 13.684 396 HB3 MET 69 2HB MET 69 3.761 -6.200 14.926 397 HG2 MET 69 1HG MET 69 1.890 -4.435 13.300 398 HG3 MET 69 2HG MET 69 1.625 -5.000 14.942 399 HE1 MET 69 3HE MET 69 2.090 -1.292 15.679 400 HE2 MET 69 1HE MET 69 1.124 -2.173 14.471 401 HE3 MET 69 2HE MET 69 1.241 -2.785 16.131 402 H ASP 70 H ASP 70 4.506 -7.654 11.255 403 HA ASP 70 HA ASP 70 7.058 -8.828 12.171 404 HB2 ASP 70 1HB ASP 70 4.374 -10.277 12.185 405 HB3 ASP 70 2HB ASP 70 5.922 -11.110 12.156 406 H GLN 71 H GLN 71 8.110 -10.000 10.582 407 HA GLN 71 HA GLN 71 7.501 -9.471 7.842 408 HB2 GLN 71 1HB GLN 71 9.756 -9.922 8.892 409 HB3 GLN 71 2HB GLN 71 9.311 -11.611 9.041 410 HG2 GLN 71 1HG GLN 71 10.746 -11.319 7.121 411 HG3 GLN 71 2HG GLN 71 9.159 -11.822 6.579 412 HE21 GLN 71 2HE2 GLN 71 10.359 -10.940 4.511 413 HE22 GLN 71 1HE2 GLN 71 10.060 -9.244 4.166 414 H ALA 72 H ALA 72 6.430 -12.015 9.953 415 HA ALA 72 HA ALA 72 5.764 -14.052 8.107 416 HB1 ALA 72 1HB ALA 72 5.766 -14.313 10.569 417 HB2 ALA 72 2HB ALA 72 4.348 -13.237 10.685 418 HB3 ALA 72 3HB ALA 72 4.213 -14.806 9.866 419 H GLY 73 H GLY 73 4.086 -10.972 8.633 420 HA2 GLY 73 1HA GLY 73 1.737 -11.807 7.045 421 HA3 GLY 73 2HA GLY 73 2.101 -10.165 7.612 422 H VAL 74 H VAL 74 4.755 -10.053 6.496 423 HA VAL 74 HA VAL 74 4.223 -9.212 3.786 424 HB VAL 74 HB VAL 74 6.852 -9.751 5.222 425 HG11 VAL 74 1HG1 VAL 74 7.340 -10.015 2.872 426 HG12 VAL 74 2HG1 VAL 74 6.437 -8.544 2.461 427 HG13 VAL 74 3HG1 VAL 74 7.940 -8.441 3.394 428 HG21 VAL 74 3HG2 VAL 74 7.031 -7.289 5.282 429 HG22 VAL 74 1HG2 VAL 74 5.436 -7.154 4.518 430 HG23 VAL 74 2HG2 VAL 74 5.602 -7.856 6.145 431 H ASP 75 H ASP 75 5.841 -12.112 5.180 432 HA ASP 75 HA ASP 75 6.521 -13.492 2.867 433 HB2 ASP 75 1HB ASP 75 7.047 -14.098 5.256 434 HB3 ASP 75 2HB ASP 75 5.401 -14.667 5.451 435 H LYS 76 H LYS 76 3.351 -13.660 4.573 436 HA LYS 76 HA LYS 76 2.139 -15.546 2.800 437 HB2 LYS 76 1HB LYS 76 0.920 -13.346 4.511 438 HB3 LYS 76 2HB LYS 76 0.015 -14.669 3.745 439 HG2 LYS 76 1HG LYS 76 0.993 -16.334 5.123 440 HG3 LYS 76 2HG LYS 76 2.248 -15.231 5.715 441 HD2 LYS 76 1HD LYS 76 0.440 -13.779 6.697 442 HD3 LYS 76 2HD LYS 76 -0.767 -14.989 6.210 443 HE2 LYS 76 1HE LYS 76 0.348 -16.662 7.643 444 HE3 LYS 76 2HE LYS 76 1.598 -15.474 8.065 445 HZ1 LYS 76 3HZ LYS 76 -0.053 -15.534 9.801 446 HZ2 LYS 76 1HZ LYS 76 -0.197 -14.091 9.028 447 HZ3 LYS 76 2HZ LYS 76 -1.282 -15.284 8.752 448 H VAL 77 H VAL 77 2.277 -11.993 2.639 449 HA VAL 77 HA VAL 77 0.343 -11.784 0.505 450 HB VAL 77 HB VAL 77 2.433 -9.803 1.454 451 HG11 VAL 77 1HG1 VAL 77 1.780 -9.169 -0.843 452 HG12 VAL 77 2HG1 VAL 77 0.064 -9.318 -0.410 453 HG13 VAL 77 3HG1 VAL 77 1.073 -8.056 0.328 454 HG21 VAL 77 3HG2 VAL 77 0.543 -8.719 2.602 455 HG22 VAL 77 1HG2 VAL 77 -0.603 -9.875 1.891 456 HG23 VAL 77 2HG2 VAL 77 0.568 -10.417 3.091 457 H LEU 78 H LEU 78 3.880 -12.249 0.547 458 HA LEU 78 HA LEU 78 4.194 -11.985 -2.350 459 HB2 LEU 78 1HB LEU 78 5.919 -13.352 -0.252 460 HB3 LEU 78 2HB LEU 78 6.435 -12.898 -1.873 461 HG LEU 78 HG LEU 78 5.531 -10.868 0.222 462 HD11 LEU 78 1HD1 LEU 78 7.391 -12.162 1.038 463 HD12 LEU 78 2HD1 LEU 78 8.295 -11.917 -0.474 464 HD13 LEU 78 3HD1 LEU 78 7.959 -10.530 0.600 465 HD21 LEU 78 3HD2 LEU 78 6.750 -9.263 -1.198 466 HD22 LEU 78 1HD2 LEU 78 7.034 -10.540 -2.402 467 HD23 LEU 78 2HD2 LEU 78 5.375 -9.993 -2.037 468 H ALA 79 H ALA 79 3.811 -14.679 -0.050 469 HA ALA 79 HA ALA 79 4.224 -16.749 -1.923 470 HB1 ALA 79 1HB ALA 79 4.459 -16.999 0.517 471 HB2 ALA 79 2HB ALA 79 2.703 -16.784 0.722 472 HB3 ALA 79 3HB ALA 79 3.336 -18.207 -0.131 473 H GLN 80 H GLN 80 1.284 -14.925 -1.285 474 HA GLN 80 HA GLN 80 -0.457 -16.822 -2.717 475 HB2 GLN 80 1HB GLN 80 -1.270 -15.631 -0.745 476 HB3 GLN 80 2HB GLN 80 -0.976 -14.071 -1.521 477 HG2 GLN 80 1HG GLN 80 -2.659 -14.547 -3.229 478 HG3 GLN 80 2HG GLN 80 -2.876 -16.192 -2.632 479 HE21 GLN 80 2HE2 GLN 80 -4.554 -13.445 -2.765 480 HE22 GLN 80 1HE2 GLN 80 -5.387 -13.540 -1.211 481 H SER 81 H SER 81 -1.052 -16.692 -4.842 482 HA SER 81 HA SER 81 0.632 -15.133 -6.553 483 HB2 SER 81 1HB SER 81 -1.699 -16.927 -7.298 484 HB3 SER 81 2HB SER 81 -0.347 -16.442 -8.335 485 HG SER 81 HG SER 81 -0.044 -18.551 -7.453 486 H ARG 82 H ARG 82 -2.408 -14.201 -5.310 487 HA ARG 82 HA ARG 82 -2.726 -12.006 -7.204 488 HB2 ARG 82 1HB ARG 82 -3.687 -13.979 -8.425 489 HB3 ARG 82 2HB ARG 82 -4.850 -14.196 -7.117 490 HG2 ARG 82 1HG ARG 82 -5.839 -11.992 -7.588 491 HG3 ARG 82 2HG ARG 82 -4.606 -11.662 -8.815 492 HD2 ARG 82 1HD ARG 82 -6.599 -13.962 -8.924 493 HD3 ARG 82 2HD ARG 82 -6.844 -12.389 -9.705 494 HE ARG 82 HE ARG 82 -4.359 -13.291 -10.609 495 HH11 ARG 82 1HH1 ARG 82 -7.700 -14.417 -10.904 496 HH12 ARG 82 2HH1 ARG 82 -7.398 -15.201 -12.425 497 HH21 ARG 82 1HH2 ARG 82 -4.034 -14.329 -12.569 498 HH22 ARG 82 2HH2 ARG 82 -5.351 -15.146 -13.354 499 H HIS 83 H HIS 83 -4.098 -10.398 -6.469 500 HA HIS 83 HA HIS 83 -5.593 -10.716 -3.926 501 HB2 HIS 83 1HB HIS 83 -3.329 -8.747 -4.459 502 HB3 HIS 83 2HB HIS 83 -4.460 -8.606 -3.110 503 HD1 HIS 83 1HD HIS 83 -4.244 -10.563 -1.188 504 HD2 HIS 83 2HD HIS 83 -1.290 -10.417 -4.173 505 HE1 HIS 83 1HE HIS 83 -2.265 -11.935 -0.316 506 H GLU 84 H GLU 84 -7.165 -8.979 -3.586 507 HA GLU 84 HA GLU 84 -7.739 -7.149 -5.826 508 HB2 GLU 84 1HB GLU 84 -8.641 -9.444 -6.450 509 HB3 GLU 84 2HB GLU 84 -9.718 -9.324 -5.054 510 HG2 GLU 84 1HG GLU 84 -10.615 -7.160 -6.073 511 HG3 GLU 84 2HG GLU 84 -9.636 -7.509 -7.502 512 H LEU 85 H LEU 85 -8.714 -5.363 -5.149 513 HA LEU 85 HA LEU 85 -10.313 -5.241 -2.674 514 HB2 LEU 85 1HB LEU 85 -8.027 -4.989 -1.857 515 HB3 LEU 85 2HB LEU 85 -7.676 -3.785 -3.105 516 HG LEU 85 HG LEU 85 -9.262 -2.204 -2.032 517 HD11 LEU 85 1HD1 LEU 85 -10.852 -3.691 -0.931 518 HD12 LEU 85 2HD1 LEU 85 -9.565 -4.418 0.046 519 HD13 LEU 85 3HD1 LEU 85 -10.038 -2.731 0.316 520 HD21 LEU 85 3HD2 LEU 85 -7.860 -1.735 -0.066 521 HD22 LEU 85 1HD2 LEU 85 -7.161 -3.367 -0.151 522 HD23 LEU 85 2HD2 LEU 85 -6.864 -2.198 -1.457 523 H ASP 86 H ASP 86 -11.934 -3.818 -2.900 524 HA ASP 86 HA ASP 86 -13.507 -2.618 -3.960 525 HB2 ASP 86 1HB ASP 86 -11.878 -0.794 -3.382 526 HB3 ASP 86 2HB ASP 86 -11.265 -0.875 -5.032 527 H SER 87 H SER 87 -12.725 -4.938 -5.266 528 HA SER 87 HA SER 87 -13.005 -6.141 -7.168 529 HB2 SER 87 1HB SER 87 -14.493 -3.728 -8.250 530 HB3 SER 87 2HB SER 87 -14.558 -5.385 -8.858 531 HG SER 87 HG SER 87 -16.328 -4.889 -7.454 532 H LYS 88 H LYS 88 -10.610 -4.235 -6.956 533 HA LYS 88 HA LYS 88 -9.733 -4.377 -9.817 534 HB2 LYS 88 1HB LYS 88 -9.183 -2.345 -7.623 535 HB3 LYS 88 2HB LYS 88 -8.065 -2.548 -8.964 536 HG2 LYS 88 1HG LYS 88 -11.010 -2.077 -9.454 537 HG3 LYS 88 2HG LYS 88 -9.907 -0.725 -9.136 538 HD2 LYS 88 1HD LYS 88 -8.497 -1.454 -11.062 539 HD3 LYS 88 2HD LYS 88 -9.684 -2.706 -11.450 540 HE2 LYS 88 1HE LYS 88 -10.241 0.300 -11.338 541 HE3 LYS 88 2HE LYS 88 -9.902 -0.608 -12.814 542 HZ1 LYS 88 3HZ LYS 88 -12.275 -0.341 -12.505 543 HZ2 LYS 88 1HZ LYS 88 -11.907 -1.927 -12.390 544 HZ3 LYS 88 2HZ LYS 88 -12.239 -1.060 -11.041 545 H THR 89 H THR 89 -8.019 -5.547 -10.219 546 HA THR 89 HA THR 89 -6.917 -7.326 -8.195 547 HB THR 89 HB THR 89 -5.969 -6.940 -11.059 548 HG1 THR 89 1HG THR 89 -7.465 -8.594 -11.493 549 HG21 THR 89 3HG2 THR 89 -5.272 -9.309 -10.821 550 HG22 THR 89 1HG2 THR 89 -4.456 -8.300 -9.617 551 HG23 THR 89 2HG2 THR 89 -5.833 -9.315 -9.133 552 H ILE 90 H ILE 90 -5.297 -6.850 -6.851 553 HA ILE 90 HA ILE 90 -3.621 -4.446 -7.449 554 HB ILE 90 HB ILE 90 -3.252 -4.160 -5.125 555 HG12 ILE 90 1HG1 ILE 90 -4.912 -6.618 -4.529 556 HG13 ILE 90 2HG1 ILE 90 -3.150 -6.486 -4.384 557 HG21 ILE 90 1HG2 ILE 90 -5.395 -3.308 -6.190 558 HG22 ILE 90 2HG2 ILE 90 -6.230 -4.722 -5.513 559 HG23 ILE 90 3HG2 ILE 90 -5.519 -3.526 -4.443 560 HD11 ILE 90 3HD1 ILE 90 -4.005 -6.170 -2.198 561 HD12 ILE 90 1HD1 ILE 90 -3.507 -4.559 -2.773 562 HD13 ILE 90 2HD1 ILE 90 -5.228 -5.012 -2.746 563 H ASP 91 H ASP 91 -1.425 -4.407 -6.770 564 HA ASP 91 HA ASP 91 0.006 -7.016 -7.135 565 HB2 ASP 91 1HB ASP 91 -0.154 -5.773 -9.236 566 HB3 ASP 91 2HB ASP 91 0.537 -4.346 -8.465 567 HA PRO 92 HA PRO 92 1.825 -4.879 -3.508 568 HB2 PRO 92 1HB PRO 92 1.334 -6.720 -1.574 569 HB3 PRO 92 2HB PRO 92 0.140 -5.520 -2.115 570 HG2 PRO 92 1HG PRO 92 0.170 -8.439 -2.700 571 HG3 PRO 92 2HG PRO 92 -1.207 -7.276 -2.651 572 HD2 PRO 92 1HD PRO 92 0.235 -8.223 -4.954 573 HD3 PRO 92 2HD PRO 92 -1.087 -7.038 -4.872 574 H LYS 93 H LYS 93 3.909 -5.014 -3.006 575 HA LYS 93 HA LYS 93 5.513 -7.466 -3.230 576 HB2 LYS 93 1HB LYS 93 6.812 -6.579 -5.181 577 HB3 LYS 93 2HB LYS 93 5.123 -6.926 -5.554 578 HG2 LYS 93 1HG LYS 93 4.602 -4.494 -5.287 579 HG3 LYS 93 2HG LYS 93 6.342 -4.176 -5.154 580 HD2 LYS 93 1HD LYS 93 6.733 -4.955 -7.406 581 HD3 LYS 93 2HD LYS 93 5.142 -5.758 -7.480 582 HE2 LYS 93 1HE LYS 93 4.045 -3.575 -7.149 583 HE3 LYS 93 2HE LYS 93 5.621 -2.765 -7.297 584 HZ1 LYS 93 3HZ LYS 93 4.401 -2.792 -9.399 585 HZ2 LYS 93 1HZ LYS 93 5.757 -3.718 -9.569 586 HZ3 LYS 93 2HZ LYS 93 4.264 -4.405 -9.371 587 H VAL 94 H VAL 94 7.889 -6.979 -2.948 588 HA VAL 94 HA VAL 94 8.137 -5.719 -0.420 589 HB VAL 94 HB VAL 94 10.377 -6.531 -2.320 590 HG11 VAL 94 1HG1 VAL 94 11.290 -5.060 -0.586 591 HG12 VAL 94 2HG1 VAL 94 10.426 -5.961 0.683 592 HG13 VAL 94 3HG1 VAL 94 11.749 -6.722 -0.229 593 HG21 VAL 94 3HG2 VAL 94 10.455 -8.594 -0.904 594 HG22 VAL 94 1HG2 VAL 94 8.992 -8.048 -0.058 595 HG23 VAL 94 2HG2 VAL 94 8.942 -8.445 -1.791 596 H ALA 95 H ALA 95 8.742 -3.754 0.290 597 HA ALA 95 HA ALA 95 8.831 -1.523 -1.593 598 HB1 ALA 95 1HB ALA 95 7.617 -1.380 0.547 599 HB2 ALA 95 2HB ALA 95 9.131 -1.646 1.438 600 HB3 ALA 95 3HB ALA 95 8.911 -0.170 0.477 601 H PHE 96 H PHE 96 10.580 -0.376 -2.281 602 HA PHE 96 HA PHE 96 13.193 -1.349 -2.184 603 HB2 PHE 96 1HB PHE 96 12.290 1.529 -2.561 604 HB3 PHE 96 2HB PHE 96 13.867 0.902 -2.999 605 HD1 PHE 96 1HD PHE 96 12.635 -1.818 -4.240 606 HD2 PHE 96 2HD PHE 96 11.918 2.408 -4.776 607 HE1 PHE 96 1HE PHE 96 11.847 -2.238 -6.541 608 HE2 PHE 96 2HE PHE 96 11.133 1.974 -7.085 609 HZ PHE 96 HZ PHE 96 11.088 -0.351 -7.972 610 HA PRO 97 HA PRO 97 14.590 -0.355 1.874 611 HB2 PRO 97 1HB PRO 97 17.301 -0.598 1.637 612 HB3 PRO 97 2HB PRO 97 16.185 -1.988 1.472 613 HG2 PRO 97 1HG PRO 97 17.380 -0.292 -0.750 614 HG3 PRO 97 2HG PRO 97 17.375 -2.081 -0.608 615 HD2 PRO 97 1HD PRO 97 15.509 -0.771 -2.083 616 HD3 PRO 97 2HD PRO 97 15.069 -2.208 -1.109 617 H ARG 98 H ARG 98 15.894 1.118 3.167 618 HA ARG 98 HA ARG 98 16.769 3.664 2.001 619 HB2 ARG 98 1HB ARG 98 15.170 4.945 3.219 620 HB3 ARG 98 2HB ARG 98 14.306 3.811 2.195 621 HG2 ARG 98 1HG ARG 98 13.991 2.318 4.230 622 HG3 ARG 98 2HG ARG 98 14.721 3.591 5.217 623 HD2 ARG 98 1HD ARG 98 12.161 3.770 3.580 624 HD3 ARG 98 2HD ARG 98 12.275 3.712 5.336 625 HE ARG 98 HE ARG 98 12.681 6.013 3.574 626 HH11 ARG 98 1HH1 ARG 98 13.237 4.893 6.892 627 HH12 ARG 98 2HH1 ARG 98 13.590 6.503 7.446 628 HH21 ARG 98 1HH2 ARG 98 13.295 7.933 4.279 629 HH22 ARG 98 2HH2 ARG 98 13.631 8.240 5.970 630 H ARG 99 H ARG 99 17.105 5.205 4.128 631 HA ARG 99 HA ARG 99 18.507 3.713 6.286 632 HB2 ARG 99 1HB ARG 99 19.765 5.870 4.532 633 HB3 ARG 99 2HB ARG 99 20.469 5.280 6.032 634 HG2 ARG 99 1HG ARG 99 19.993 3.583 3.542 635 HG3 ARG 99 2HG ARG 99 21.523 4.304 4.033 636 HD2 ARG 99 1HD ARG 99 21.517 2.981 6.119 637 HD3 ARG 99 2HD ARG 99 19.996 2.221 5.664 638 HE ARG 99 HE ARG 99 22.671 1.739 4.526 639 HH11 ARG 99 1HH1 ARG 99 19.206 1.053 4.126 640 HH12 ARG 99 2HH1 ARG 99 19.528 -0.356 3.153 641 HH21 ARG 99 1HH2 ARG 99 22.984 -0.057 3.245 642 HH22 ARG 99 2HH2 ARG 99 21.627 -0.957 2.645 643 H ALA 100 H ALA 100 18.809 4.836 8.179 644 HA ALA 100 HA ALA 100 17.939 7.557 8.665 645 HB1 ALA 100 1HB ALA 100 15.724 6.468 8.438 646 HB2 ALA 100 2HB ALA 100 16.192 5.237 9.633 647 HB3 ALA 100 3HB ALA 100 16.009 6.934 10.120 648 H GLN 101 H GLN 101 18.050 8.074 11.023 649 HA GLN 101 HA GLN 101 20.332 6.711 12.293 650 HB2 GLN 101 1HB GLN 101 20.319 8.559 13.853 651 HB3 GLN 101 2HB GLN 101 20.260 9.179 12.213 652 HG2 GLN 101 1HG GLN 101 17.977 9.866 12.442 653 HG3 GLN 101 2HG GLN 101 17.718 8.873 13.875 654 HE21 GLN 101 2HE2 GLN 101 18.696 9.510 15.936 655 HE22 GLN 101 1HE2 GLN 101 19.131 11.201 16.168 656 HA PRO 102 HA PRO 102 17.794 4.647 15.438 657 HB2 PRO 102 1HB PRO 102 19.476 4.546 17.583 658 HB3 PRO 102 2HB PRO 102 19.726 3.547 16.118 659 HG2 PRO 102 1HG PRO 102 21.032 6.203 16.805 660 HG3 PRO 102 2HG PRO 102 21.825 4.691 16.257 661 HD2 PRO 102 1HD PRO 102 21.224 6.697 14.531 662 HD3 PRO 102 2HD PRO 102 21.068 4.987 14.041 663 H LYS 103 H LYS 103 16.619 5.174 17.344 664 HA LYS 103 HA LYS 103 16.869 7.727 18.719 665 HB2 LYS 103 1HB LYS 103 15.831 8.393 16.538 666 HB3 LYS 103 2HB LYS 103 14.486 7.295 16.866 667 HG2 LYS 103 1HG LYS 103 13.907 8.605 18.893 668 HG3 LYS 103 2HG LYS 103 15.304 9.665 18.612 669 HD2 LYS 103 1HD LYS 103 14.325 10.381 16.447 670 HD3 LYS 103 2HD LYS 103 12.932 9.311 16.723 671 HE2 LYS 103 1HE LYS 103 12.391 10.562 18.803 672 HE3 LYS 103 2HE LYS 103 13.776 11.627 18.526 673 HZ1 LYS 103 3HZ LYS 103 11.715 12.628 17.723 674 HZ2 LYS 103 1HZ LYS 103 12.710 12.362 16.458 675 HZ3 LYS 103 2HZ LYS 103 11.430 11.377 16.715 676 H5' G 104 H5' G 104 -4.570 -0.477 -13.904 677 H5'' G 104 H5" G 104 -2.964 -0.103 -13.267 678 H4' G 104 H4' G 104 -3.919 1.837 -14.396 679 H3' G 104 H3' G 104 -2.965 1.907 -11.672 680 H2' G 104 H2' G 104 -4.960 2.630 -10.771 681 HO2' G 104 HO2 G 104 -3.622 4.803 -11.893 682 H1' G 104 H1' G 104 -5.678 3.940 -13.413 683 H8 G 104 8H G 104 -7.065 2.496 -10.119 684 H1 G 104 1H G 104 -11.457 5.088 -14.043 685 H21 G 104 1H2 G 104 -10.458 5.613 -15.996 686 H22 G 104 2H2 G 104 -8.751 5.269 -16.216 687 HO5' G 104 H5T G 104 -5.415 -0.236 -11.797 688 H5' U 105 H5' U 105 -1.353 3.221 -10.553 689 H5'' U 105 H5" U 105 -0.197 4.323 -11.299 690 H4' U 105 H4' U 105 0.691 3.450 -9.237 691 H3' U 105 H3' U 105 2.138 3.511 -11.561 692 H2' U 105 H2' U 105 1.690 1.265 -12.159 693 HO2' U 105 HO2 U 105 4.188 1.621 -11.196 694 H1' U 105 H1' U 105 2.182 0.436 -9.302 695 H3 U 105 3H U 105 1.713 -3.895 -10.554 696 H5 U 105 5H U 105 -1.534 -2.025 -12.434 697 H6 U 105 6H U 105 -0.722 0.129 -11.611 698 H5' A 106 H5' A 106 3.852 4.449 -7.185 699 H5'' A 106 H5" A 106 4.149 5.864 -8.188 700 H4' A 106 H4' A 106 5.161 6.257 -6.087 701 H3' A 106 H3' A 106 6.615 6.515 -8.402 702 H2' A 106 H2' A 106 7.614 4.383 -8.346 703 HO2' A 106 HO2 A 106 9.276 6.263 -7.093 704 H1' A 106 H1' A 106 8.136 4.596 -5.385 705 H8 A 106 8H A 106 6.944 2.193 -8.227 706 H61 A 106 1H6 A 106 8.972 -2.173 -4.183 707 H62 A 106 2H6 A 106 8.331 -1.972 -5.815 708 H2 A 106 2H A 106 9.468 1.674 -2.324 709 H5' G 107 H5' G 107 8.013 8.553 -3.911 710 H5'' G 107 H5" G 107 7.356 6.923 -3.739 711 H4' G 107 H4' G 107 5.859 9.168 -2.400 712 H3' G 107 H3' G 107 8.562 8.123 -1.522 713 H2' G 107 H2' G 107 7.822 8.378 0.724 714 HO2' G 107 HO2 G 107 6.845 10.552 0.227 715 H1' G 107 H1' G 107 5.111 7.756 0.160 716 H8 G 107 8H G 107 4.938 6.006 1.952 717 H1 G 107 1H G 107 10.484 3.163 0.317 718 H21 G 107 1H2 G 107 11.404 4.305 -1.405 719 H22 G 107 2H2 G 107 10.560 5.690 -2.071 720 H5' U 108 H5' U 108 11.197 11.452 0.953 721 H5'' U 108 H5" U 108 12.091 10.310 -0.054 722 H4' U 108 H4' U 108 12.575 9.936 2.288 723 H3' U 108 H3' U 108 11.779 7.852 0.564 724 HO3' U 108 H3T U 108 13.669 7.692 1.728 725 H2' U 108 H2' U 108 9.636 7.698 1.528 726 HO2' U 108 HO2 U 108 10.899 5.658 1.903 727 H1' U 108 H1' U 108 10.980 8.189 4.205 728 H3 U 108 3H U 108 7.346 10.182 6.453 729 H5 U 108 5H U 108 5.854 7.136 4.020 730 H6 U 108 6H U 108 8.033 6.949 2.956 Start of MODEL 9 1 H CYS 20 1H CYS 20 11.302 -5.120 6.574 2 HA CYS 20 HA CYS 20 9.236 -6.059 5.793 3 HB2 CYS 20 1HB CYS 20 7.147 -5.597 7.130 4 HB3 CYS 20 2HB CYS 20 8.235 -6.752 7.900 5 HG CYS 20 HG CYS 20 7.030 -5.082 9.650 6 H LYS 21 H LYS 21 7.723 -4.853 4.676 7 HA LYS 21 HA LYS 21 6.399 -2.752 4.645 8 HB2 LYS 21 1HB LYS 21 8.066 -1.219 5.505 9 HB3 LYS 21 2HB LYS 21 9.058 -1.415 4.044 10 HG2 LYS 21 1HG LYS 21 7.374 -0.318 2.700 11 HG3 LYS 21 2HG LYS 21 6.157 -0.479 3.969 12 HD2 LYS 21 1HD LYS 21 7.458 1.092 5.404 13 HD3 LYS 21 2HD LYS 21 8.623 1.305 4.079 14 HE2 LYS 21 1HE LYS 21 6.893 2.188 2.617 15 HE3 LYS 21 2HE LYS 21 5.620 1.797 3.787 16 HZ1 LYS 21 3HZ LYS 21 6.418 4.167 3.710 17 HZ2 LYS 21 1HZ LYS 21 6.339 3.495 5.211 18 HZ3 LYS 21 2HZ LYS 21 7.794 3.677 4.432 19 H MET 22 H MET 22 5.367 -2.329 2.771 20 HA MET 22 HA MET 22 6.413 -3.483 0.227 21 HB2 MET 22 1HB MET 22 3.754 -4.121 1.581 22 HB3 MET 22 2HB MET 22 4.223 -4.622 -0.045 23 HG2 MET 22 1HG MET 22 6.216 -5.816 0.977 24 HG3 MET 22 2HG MET 22 5.561 -5.414 2.560 25 HE1 MET 22 3HE MET 22 4.078 -8.550 -0.431 26 HE2 MET 22 1HE MET 22 4.011 -6.833 -0.881 27 HE3 MET 22 2HE MET 22 5.570 -7.590 -0.474 28 H PHE 23 H PHE 23 5.765 -2.572 -1.562 29 HA PHE 23 HA PHE 23 4.092 -0.115 -1.629 30 HB2 PHE 23 1HB PHE 23 6.123 0.005 -2.909 31 HB3 PHE 23 2HB PHE 23 5.890 -1.599 -3.587 32 HD1 PHE 23 1HD PHE 23 4.164 -2.001 -5.363 33 HD2 PHE 23 2HD PHE 23 5.064 1.959 -3.928 34 HE1 PHE 23 1HE PHE 23 3.133 -1.041 -7.391 35 HE2 PHE 23 2HE PHE 23 4.025 2.907 -5.961 36 HZ PHE 23 HZ PHE 23 3.060 1.431 -7.698 37 H ILE 24 H ILE 24 2.058 -0.151 -2.532 38 HA ILE 24 HA ILE 24 0.918 -2.828 -3.307 39 HB ILE 24 HB ILE 24 -0.621 -0.607 -1.937 40 HG12 ILE 24 1HG1 ILE 24 1.043 -1.164 -0.296 41 HG13 ILE 24 2HG1 ILE 24 -0.536 -1.751 0.174 42 HG21 ILE 24 1HG2 ILE 24 -1.881 -2.282 -3.243 43 HG22 ILE 24 2HG2 ILE 24 -1.169 -3.585 -2.282 44 HG23 ILE 24 3HG2 ILE 24 -2.237 -2.389 -1.515 45 HD11 ILE 24 3HD1 ILE 24 1.341 -3.306 0.716 46 HD12 ILE 24 1HD1 ILE 24 0.080 -4.042 -0.276 47 HD13 ILE 24 2HD1 ILE 24 1.620 -3.549 -1.009 48 H GLY 25 H GLY 25 0.982 -2.640 -5.531 49 HA2 GLY 25 1HA GLY 25 0.063 -0.147 -6.858 50 HA3 GLY 25 2HA GLY 25 0.798 -1.574 -7.616 51 H GLY 26 H GLY 26 -1.362 -0.340 -8.765 52 HA2 GLY 26 1HA GLY 26 -3.149 -1.130 -10.008 53 HA3 GLY 26 2HA GLY 26 -3.031 -2.685 -9.158 54 H LEU 27 H LEU 27 -3.462 0.133 -7.170 55 HA LEU 27 HA LEU 27 -5.926 -0.886 -6.053 56 HB2 LEU 27 1HB LEU 27 -4.589 1.838 -5.736 57 HB3 LEU 27 2HB LEU 27 -5.903 1.239 -4.755 58 HG LEU 27 HG LEU 27 -3.077 0.113 -4.802 59 HD11 LEU 27 1HD1 LEU 27 -3.452 2.316 -3.645 60 HD12 LEU 27 2HD1 LEU 27 -4.673 1.551 -2.629 61 HD13 LEU 27 3HD1 LEU 27 -2.979 1.018 -2.529 62 HD21 LEU 27 3HD2 LEU 27 -3.958 -1.219 -2.797 63 HD22 LEU 27 1HD2 LEU 27 -5.585 -0.882 -3.419 64 HD23 LEU 27 2HD2 LEU 27 -4.400 -1.764 -4.416 65 H SER 28 H SER 28 -7.904 0.275 -5.833 66 HA SER 28 HA SER 28 -8.966 1.534 -8.291 67 HB2 SER 28 1HB SER 28 -10.399 0.006 -7.067 68 HB3 SER 28 2HB SER 28 -10.120 0.875 -5.555 69 HG SER 28 HG SER 28 -12.115 1.382 -6.493 70 H TRP 29 H TRP 29 -9.606 3.736 -8.441 71 HA TRP 29 HA TRP 29 -8.327 5.721 -6.799 72 HB2 TRP 29 1HB TRP 29 -10.527 5.790 -8.861 73 HB3 TRP 29 2HB TRP 29 -10.002 7.232 -7.998 74 HD1 TRP 29 HD TRP 29 -7.001 5.212 -8.707 75 HE1 TRP 29 1HE TRP 29 -5.758 6.060 -10.757 76 HE3 TRP 29 3HE TRP 29 -10.640 8.251 -10.646 77 HZ2 TRP 29 2HZ TRP 29 -6.215 7.934 -12.915 78 HZ3 TRP 29 3HZ TRP 29 -10.226 9.505 -12.745 79 HH2 TRP 29 HH TRP 29 -8.021 9.364 -13.883 80 H GLN 30 H GLN 30 -10.960 3.768 -5.990 81 HA GLN 30 HA GLN 30 -12.127 5.762 -4.100 82 HB2 GLN 30 1HB GLN 30 -12.977 2.892 -4.563 83 HB3 GLN 30 2HB GLN 30 -13.872 4.162 -3.735 84 HG2 GLN 30 1HG GLN 30 -13.986 5.414 -5.941 85 HG3 GLN 30 2HG GLN 30 -13.312 3.977 -6.723 86 HE21 GLN 30 2HE2 GLN 30 -14.623 1.795 -5.855 87 HE22 GLN 30 1HE2 GLN 30 -16.362 2.012 -6.013 88 H THR 31 H THR 31 -9.494 3.693 -4.050 89 HA THR 31 HA THR 31 -9.929 2.259 -1.596 90 HB THR 31 HB THR 31 -7.249 2.882 -2.890 91 HG1 THR 31 1HG THR 31 -8.350 2.013 -4.459 92 HG21 THR 31 3HG2 THR 31 -6.752 0.552 -2.003 93 HG22 THR 31 1HG2 THR 31 -6.965 1.770 -0.744 94 HG23 THR 31 2HG2 THR 31 -8.275 0.619 -1.106 95 H THR 32 H THR 32 -9.242 2.625 0.458 96 HA THR 32 HA THR 32 -7.825 5.168 1.124 97 HB THR 32 HB THR 32 -9.033 5.250 3.237 98 HG1 THR 32 1HG THR 32 -10.852 3.791 3.455 99 HG21 THR 32 3HG2 THR 32 -11.232 5.907 2.467 100 HG22 THR 32 1HG2 THR 32 -10.042 6.399 1.251 101 HG23 THR 32 2HG2 THR 32 -11.056 4.967 0.972 102 H GLN 33 H GLN 33 -6.480 5.026 3.024 103 HA GLN 33 HA GLN 33 -4.947 2.575 3.125 104 HB2 GLN 33 1HB GLN 33 -3.650 3.773 4.905 105 HB3 GLN 33 2HB GLN 33 -3.745 4.487 3.306 106 HG2 GLN 33 1HG GLN 33 -5.577 6.048 4.230 107 HG3 GLN 33 2HG GLN 33 -5.080 5.481 5.829 108 HE21 GLN 33 2HE2 GLN 33 -3.580 6.960 6.743 109 HE22 GLN 33 1HE2 GLN 33 -2.444 7.897 5.788 110 H GLU 34 H GLU 34 -7.601 3.746 5.081 111 HA GLU 34 HA GLU 34 -7.363 1.677 7.119 112 HB2 GLU 34 1HB GLU 34 -9.766 3.278 6.142 113 HB3 GLU 34 2HB GLU 34 -9.777 2.170 7.521 114 HG2 GLU 34 1HG GLU 34 -8.007 3.530 8.627 115 HG3 GLU 34 2HG GLU 34 -8.048 4.672 7.282 116 H GLY 35 H GLY 35 -8.863 1.883 3.873 117 HA2 GLY 35 1HA GLY 35 -10.090 -0.725 3.862 118 HA3 GLY 35 2HA GLY 35 -9.666 0.274 2.451 119 H LEU 36 H LEU 36 -6.806 0.440 2.943 120 HA LEU 36 HA LEU 36 -5.855 -2.131 2.087 121 HB2 LEU 36 1HB LEU 36 -4.215 0.050 3.475 122 HB3 LEU 36 2HB LEU 36 -3.594 -1.321 2.582 123 HG LEU 36 HG LEU 36 -4.997 1.112 1.468 124 HD11 LEU 36 1HD1 LEU 36 -2.571 1.267 1.994 125 HD12 LEU 36 2HD1 LEU 36 -2.264 -0.113 0.918 126 HD13 LEU 36 3HD1 LEU 36 -2.895 1.404 0.255 127 HD21 LEU 36 3HD2 LEU 36 -4.683 0.063 -0.780 128 HD22 LEU 36 1HD2 LEU 36 -4.299 -1.476 0.020 129 HD23 LEU 36 2HD2 LEU 36 -5.907 -0.728 0.215 130 H ARG 37 H ARG 37 -5.724 -0.635 5.380 131 HA ARG 37 HA ARG 37 -4.654 -2.937 6.652 132 HB2 ARG 37 1HB ARG 37 -4.808 -0.757 7.744 133 HB3 ARG 37 2HB ARG 37 -6.575 -0.826 7.725 134 HG2 ARG 37 1HG ARG 37 -6.559 -2.769 9.254 135 HG3 ARG 37 2HG ARG 37 -4.789 -2.805 9.210 136 HD2 ARG 37 1HD ARG 37 -4.834 -0.432 10.099 137 HD3 ARG 37 2HD ARG 37 -6.592 -0.593 10.240 138 HE ARG 37 HE ARG 37 -4.887 -2.607 11.641 139 HH11 ARG 37 1HH1 ARG 37 -6.798 0.363 12.039 140 HH12 ARG 37 2HH1 ARG 37 -7.054 0.065 13.732 141 HH21 ARG 37 1HH2 ARG 37 -5.357 -2.974 13.774 142 HH22 ARG 37 2HH2 ARG 37 -6.218 -1.776 14.713 143 H GLU 38 H GLU 38 -8.054 -2.174 5.915 144 HA GLU 38 HA GLU 38 -9.234 -4.356 7.183 145 HB2 GLU 38 1HB GLU 38 -10.194 -2.260 5.769 146 HB3 GLU 38 2HB GLU 38 -10.363 -3.502 4.521 147 HG2 GLU 38 1HG GLU 38 -11.592 -4.908 6.209 148 HG3 GLU 38 2HG GLU 38 -11.418 -3.577 7.365 149 H TYR 39 H TYR 39 -7.692 -4.272 3.965 150 HA TYR 39 HA TYR 39 -8.370 -7.053 3.329 151 HB2 TYR 39 1HB TYR 39 -8.227 -5.264 1.637 152 HB3 TYR 39 2HB TYR 39 -6.511 -5.068 1.970 153 HD1 TYR 39 2HD TYR 39 -9.056 -7.646 0.972 154 HD2 TYR 39 1HD TYR 39 -4.931 -6.404 0.782 155 HE1 TYR 39 2HE TYR 39 -8.553 -9.567 -0.516 156 HE2 TYR 39 1HE TYR 39 -4.422 -8.310 -0.721 157 HH TYR 39 HH TYR 39 -6.946 -10.723 -1.635 158 H PHE 40 H PHE 40 -5.428 -5.271 4.292 159 HA PHE 40 HA PHE 40 -3.772 -7.639 4.135 160 HB2 PHE 40 1HB PHE 40 -3.292 -4.751 4.854 161 HB3 PHE 40 2HB PHE 40 -2.037 -5.929 5.091 162 HD1 PHE 40 1HD PHE 40 -1.797 -7.667 2.931 163 HD2 PHE 40 2HD PHE 40 -3.312 -3.638 2.758 164 HE1 PHE 40 1HE PHE 40 -1.368 -7.607 0.492 165 HE2 PHE 40 2HE PHE 40 -2.907 -3.590 0.321 166 HZ PHE 40 HZ PHE 40 -1.940 -5.575 -0.823 167 H GLY 41 H GLY 41 -5.517 -6.142 6.769 168 HA2 GLY 41 1HA GLY 41 -4.216 -7.385 8.978 169 HA3 GLY 41 2HA GLY 41 -5.898 -6.835 8.913 170 H GLN 42 H GLN 42 -6.069 -8.862 6.477 171 HA GLN 42 HA GLN 42 -6.973 -11.188 7.983 172 HB2 GLN 42 1HB GLN 42 -6.562 -10.940 4.982 173 HB3 GLN 42 2HB GLN 42 -7.623 -12.055 5.837 174 HG2 GLN 42 1HG GLN 42 -7.964 -9.042 5.547 175 HG3 GLN 42 2HG GLN 42 -8.925 -10.281 4.777 176 HE21 GLN 42 2HE2 GLN 42 -9.663 -7.992 6.627 177 HE22 GLN 42 1HE2 GLN 42 -10.550 -8.781 7.933 178 H PHE 43 H PHE 43 -3.941 -10.228 6.538 179 HA PHE 43 HA PHE 43 -2.794 -12.973 6.734 180 HB2 PHE 43 1HB PHE 43 -1.547 -10.392 5.706 181 HB3 PHE 43 2HB PHE 43 -0.881 -12.004 5.582 182 HD1 PHE 43 2HD PHE 43 -1.792 -13.632 3.906 183 HD2 PHE 43 1HD PHE 43 -3.362 -9.650 4.267 184 HE1 PHE 43 2HE PHE 43 -2.929 -13.878 1.716 185 HE2 PHE 43 1HE PHE 43 -4.515 -9.887 2.083 186 HZ PHE 43 HZ PHE 43 -4.310 -12.012 0.811 187 H GLY 44 H GLY 44 -2.391 -9.646 8.005 188 HA2 GLY 44 1HA GLY 44 -1.791 -10.468 10.666 189 HA3 GLY 44 2HA GLY 44 -0.282 -10.090 9.854 190 H GLU 45 H GLU 45 -1.401 -8.644 12.093 191 HA GLU 45 HA GLU 45 -2.741 -6.266 11.292 192 HB2 GLU 45 1HB GLU 45 -2.696 -7.106 13.605 193 HB3 GLU 45 2HB GLU 45 -0.966 -6.775 13.711 194 HG2 GLU 45 1HG GLU 45 -2.295 -5.057 14.844 195 HG3 GLU 45 2HG GLU 45 -1.372 -4.362 13.524 196 H VAL 46 H VAL 46 -2.008 -4.127 11.021 197 HA VAL 46 HA VAL 46 0.650 -4.042 9.703 198 HB VAL 46 HB VAL 46 -0.150 -2.333 8.295 199 HG11 VAL 46 1HG1 VAL 46 -0.616 -4.686 7.655 200 HG12 VAL 46 2HG1 VAL 46 -2.236 -4.551 8.377 201 HG13 VAL 46 3HG1 VAL 46 -1.801 -3.554 6.982 202 HG21 VAL 46 3HG2 VAL 46 -2.550 -1.642 8.240 203 HG22 VAL 46 1HG2 VAL 46 -2.720 -2.351 9.864 204 HG23 VAL 46 2HG2 VAL 46 -1.608 -0.994 9.590 205 H LYS 47 H LYS 47 2.118 -2.690 10.173 206 HA LYS 47 HA LYS 47 2.129 -1.111 12.659 207 HB2 LYS 47 1HB LYS 47 3.902 -2.699 11.981 208 HB3 LYS 47 2HB LYS 47 4.224 -1.752 10.528 209 HG2 LYS 47 1HG LYS 47 4.940 0.166 11.932 210 HG3 LYS 47 2HG LYS 47 4.596 -0.773 13.389 211 HD2 LYS 47 1HD LYS 47 6.665 -1.451 11.250 212 HD3 LYS 47 2HD LYS 47 7.003 -0.732 12.831 213 HE2 LYS 47 1HE LYS 47 6.066 -2.770 13.942 214 HE3 LYS 47 2HE LYS 47 5.795 -3.492 12.349 215 HZ1 LYS 47 3HZ LYS 47 7.875 -4.254 13.313 216 HZ2 LYS 47 1HZ LYS 47 8.181 -3.403 11.951 217 HZ3 LYS 47 2HZ LYS 47 8.450 -2.729 13.420 218 H GLU 48 H GLU 48 1.861 -0.570 9.218 219 HA GLU 48 HA GLU 48 1.254 2.256 9.513 220 HB2 GLU 48 1HB GLU 48 3.751 2.295 9.488 221 HB3 GLU 48 2HB GLU 48 3.744 1.413 7.963 222 HG2 GLU 48 1HG GLU 48 2.656 3.295 6.828 223 HG3 GLU 48 2HG GLU 48 2.518 4.167 8.360 224 H CYS 49 H CYS 49 0.097 2.996 7.700 225 HA CYS 49 HA CYS 49 0.031 1.455 5.232 226 HB2 CYS 49 1HB CYS 49 -2.463 1.209 5.236 227 HB3 CYS 49 2HB CYS 49 -1.639 0.213 6.444 228 HG CYS 49 HG CYS 49 -2.001 1.844 8.472 229 H LEU 50 H LEU 50 -0.511 2.647 3.485 230 HA LEU 50 HA LEU 50 -1.222 5.524 3.768 231 HB2 LEU 50 1HB LEU 50 1.256 4.318 2.510 232 HB3 LEU 50 2HB LEU 50 0.702 5.934 2.129 233 HG LEU 50 HG LEU 50 1.631 5.044 4.882 234 HD11 LEU 50 1HD1 LEU 50 3.434 5.070 3.181 235 HD12 LEU 50 2HD1 LEU 50 2.981 6.715 2.694 236 HD13 LEU 50 3HD1 LEU 50 3.629 6.404 4.324 237 HD21 LEU 50 3HD2 LEU 50 1.647 7.496 5.354 238 HD22 LEU 50 1HD2 LEU 50 0.911 7.803 3.765 239 HD23 LEU 50 2HD2 LEU 50 0.010 6.917 5.018 240 H VAL 51 H VAL 51 -2.264 6.342 2.035 241 HA VAL 51 HA VAL 51 -2.126 4.904 -0.597 242 HB VAL 51 HB VAL 51 -4.599 6.176 0.644 243 HG11 VAL 51 1HG1 VAL 51 -4.436 7.009 -1.658 244 HG12 VAL 51 2HG1 VAL 51 -4.077 5.371 -2.253 245 HG13 VAL 51 3HG1 VAL 51 -5.679 5.761 -1.581 246 HG21 VAL 51 3HG2 VAL 51 -5.613 3.985 0.053 247 HG22 VAL 51 1HG2 VAL 51 -4.055 3.424 -0.580 248 HG23 VAL 51 2HG2 VAL 51 -4.240 3.774 1.151 249 H MET 52 H MET 52 -1.188 6.120 -2.056 250 HA MET 52 HA MET 52 -0.267 8.774 -1.203 251 HB2 MET 52 1HB MET 52 0.561 7.039 -3.547 252 HB3 MET 52 2HB MET 52 1.391 8.493 -2.985 253 HG2 MET 52 1HG MET 52 1.142 5.817 -1.574 254 HG3 MET 52 2HG MET 52 2.593 6.596 -2.155 255 HE1 MET 52 3HE MET 52 3.026 9.507 0.463 256 HE2 MET 52 1HE MET 52 3.333 8.982 -1.207 257 HE3 MET 52 2HE MET 52 1.769 9.713 -0.778 258 H ARG 53 H ARG 53 -2.725 9.237 -1.564 259 HA ARG 53 HA ARG 53 -3.593 9.634 -4.268 260 HB2 ARG 53 1HB ARG 53 -5.665 10.444 -3.336 261 HB3 ARG 53 2HB ARG 53 -5.147 8.998 -2.482 262 HG2 ARG 53 1HG ARG 53 -4.345 10.412 -0.589 263 HG3 ARG 53 2HG ARG 53 -4.899 11.853 -1.467 264 HD2 ARG 53 1HD ARG 53 -7.208 10.857 -1.536 265 HD3 ARG 53 2HD ARG 53 -6.623 9.529 -0.514 266 HE ARG 53 HE ARG 53 -5.934 11.914 0.801 267 HH11 ARG 53 1HH1 ARG 53 -8.949 10.287 -0.097 268 HH12 ARG 53 2HH1 ARG 53 -9.840 11.033 1.195 269 HH21 ARG 53 1HH2 ARG 53 -7.144 12.830 2.452 270 HH22 ARG 53 2HH2 ARG 53 -8.829 12.443 2.621 271 H ASP 54 H ASP 54 -4.328 11.500 -5.293 272 HA ASP 54 HA ASP 54 -2.701 13.908 -5.055 273 HB2 ASP 54 1HB ASP 54 -3.463 13.094 -7.223 274 HB3 ASP 54 2HB ASP 54 -5.144 13.150 -6.701 275 HA PRO 55 HA PRO 55 -5.522 15.426 -1.948 276 HB2 PRO 55 1HB PRO 55 -4.448 17.859 -1.335 277 HB3 PRO 55 2HB PRO 55 -3.642 16.307 -0.956 278 HG2 PRO 55 1HG PRO 55 -3.146 18.136 -3.317 279 HG3 PRO 55 2HG PRO 55 -1.941 17.379 -2.233 280 HD2 PRO 55 1HD PRO 55 -2.617 16.298 -4.667 281 HD3 PRO 55 2HD PRO 55 -2.175 15.284 -3.260 282 H LEU 56 H LEU 56 -5.432 16.928 -5.109 283 HA LEU 56 HA LEU 56 -7.562 18.863 -4.458 284 HB2 LEU 56 1HB LEU 56 -6.257 18.138 -7.124 285 HB3 LEU 56 2HB LEU 56 -7.381 19.426 -6.811 286 HG LEU 56 HG LEU 56 -5.430 20.569 -6.962 287 HD11 LEU 56 1HD1 LEU 56 -6.536 21.153 -4.815 288 HD12 LEU 56 2HD1 LEU 56 -5.444 20.032 -3.966 289 HD13 LEU 56 3HD1 LEU 56 -4.788 21.448 -4.804 290 HD21 LEU 56 3HD2 LEU 56 -3.246 19.920 -6.066 291 HD22 LEU 56 1HD2 LEU 56 -3.941 18.430 -5.405 292 HD23 LEU 56 2HD2 LEU 56 -3.904 18.691 -7.156 293 H THR 57 H THR 57 -7.098 15.823 -6.255 294 HA THR 57 HA THR 57 -10.018 15.700 -6.909 295 HB THR 57 HB THR 57 -9.359 14.109 -8.639 296 HG1 THR 57 1HG THR 57 -6.695 14.670 -7.823 297 HG21 THR 57 3HG2 THR 57 -8.145 15.579 -10.133 298 HG22 THR 57 1HG2 THR 57 -9.319 16.527 -9.199 299 HG23 THR 57 2HG2 THR 57 -7.592 16.588 -8.781 300 H LYS 58 H LYS 58 -7.776 14.262 -4.808 301 HA LYS 58 HA LYS 58 -7.796 12.592 -3.340 302 HB2 LYS 58 1HB LYS 58 -10.792 12.676 -3.820 303 HB3 LYS 58 2HB LYS 58 -10.045 11.564 -2.694 304 HG2 LYS 58 1HG LYS 58 -10.865 13.500 -1.533 305 HG3 LYS 58 2HG LYS 58 -9.117 13.369 -1.364 306 HD2 LYS 58 1HD LYS 58 -8.754 15.219 -2.881 307 HD3 LYS 58 2HD LYS 58 -10.474 15.241 -3.351 308 HE2 LYS 58 1HE LYS 58 -11.102 15.884 -1.058 309 HE3 LYS 58 2HE LYS 58 -9.414 15.774 -0.536 310 HZ1 LYS 58 3HZ LYS 58 -10.076 18.065 -1.034 311 HZ2 LYS 58 1HZ LYS 58 -8.870 17.584 -2.028 312 HZ3 LYS 58 2HZ LYS 58 -10.411 17.676 -2.588 313 H ARG 59 H ARG 59 -8.002 12.040 -6.481 314 HA ARG 59 HA ARG 59 -8.349 9.226 -6.863 315 HB2 ARG 59 1HB ARG 59 -6.488 11.227 -8.211 316 HB3 ARG 59 2HB ARG 59 -6.817 9.591 -8.802 317 HG2 ARG 59 1HG ARG 59 -9.181 10.116 -9.130 318 HG3 ARG 59 2HG ARG 59 -8.970 11.723 -8.425 319 HD2 ARG 59 1HD ARG 59 -7.368 12.315 -10.221 320 HD3 ARG 59 2HD ARG 59 -7.617 10.719 -10.956 321 HE ARG 59 HE ARG 59 -10.153 11.939 -10.612 322 HH11 ARG 59 1HH1 ARG 59 -7.277 12.431 -12.608 323 HH12 ARG 59 2HH1 ARG 59 -8.180 13.173 -13.896 324 HH21 ARG 59 1HH2 ARG 59 -11.263 12.908 -12.307 325 HH22 ARG 59 2HH2 ARG 59 -10.408 13.435 -13.723 326 H SER 60 H SER 60 -7.233 7.552 -6.155 327 HA SER 60 HA SER 60 -5.083 7.760 -4.275 328 HB2 SER 60 1HB SER 60 -5.184 5.341 -4.277 329 HB3 SER 60 2HB SER 60 -6.839 5.972 -4.398 330 HG SER 60 HG SER 60 -6.622 4.363 -5.912 331 H ARG 61 H ARG 61 -4.871 8.046 -7.613 332 HA ARG 61 HA ARG 61 -3.293 7.805 -9.223 333 HB2 ARG 61 1HB ARG 61 -1.263 7.597 -6.955 334 HB3 ARG 61 2HB ARG 61 -0.887 7.770 -8.662 335 HG2 ARG 61 1HG ARG 61 -2.029 9.965 -8.729 336 HG3 ARG 61 2HG ARG 61 -2.434 9.810 -7.013 337 HD2 ARG 61 1HD ARG 61 -0.480 11.235 -7.251 338 HD3 ARG 61 2HD ARG 61 -0.045 9.733 -6.430 339 HE ARG 61 HE ARG 61 0.390 9.895 -9.362 340 HH11 ARG 61 1HH1 ARG 61 1.991 10.028 -6.173 341 HH12 ARG 61 2HH1 ARG 61 3.510 9.493 -6.892 342 HH21 ARG 61 1HH2 ARG 61 2.470 9.255 -10.096 343 HH22 ARG 61 2HH2 ARG 61 3.754 9.111 -8.899 344 H GLY 62 H GLY 62 -4.441 5.373 -7.527 345 HA2 GLY 62 1HA GLY 62 -4.626 3.140 -7.941 346 HA3 GLY 62 2HA GLY 62 -3.438 3.278 -9.254 347 H PHE 63 H PHE 63 -2.381 4.416 -6.072 348 HA PHE 63 HA PHE 63 -1.407 1.797 -5.315 349 HB2 PHE 63 1HB PHE 63 0.878 2.016 -5.630 350 HB3 PHE 63 2HB PHE 63 0.216 2.611 -7.131 351 HD1 PHE 63 1HD PHE 63 0.097 5.166 -7.486 352 HD2 PHE 63 2HD PHE 63 2.218 3.358 -4.198 353 HE1 PHE 63 1HE PHE 63 1.320 7.283 -7.103 354 HE2 PHE 63 2HE PHE 63 3.492 5.457 -3.875 355 HZ PHE 63 HZ PHE 63 3.023 7.431 -5.265 356 H GLY 64 H GLY 64 -0.185 1.655 -3.433 357 HA2 GLY 64 1HA GLY 64 -0.031 3.946 -1.554 358 HA3 GLY 64 2HA GLY 64 -1.061 2.602 -1.100 359 H PHE 65 H PHE 65 0.374 2.505 0.723 360 HA PHE 65 HA PHE 65 2.563 0.556 0.323 361 HB2 PHE 65 1HB PHE 65 2.893 3.267 1.648 362 HB3 PHE 65 2HB PHE 65 3.887 1.908 2.099 363 HD1 PHE 65 1HD PHE 65 5.586 1.001 0.645 364 HD2 PHE 65 2HD PHE 65 3.199 4.404 -0.575 365 HE1 PHE 65 1HE PHE 65 7.261 1.568 -1.089 366 HE2 PHE 65 2HE PHE 65 4.875 4.925 -2.308 367 HZ PHE 65 HZ PHE 65 6.904 3.560 -2.554 368 H VAL 66 H VAL 66 2.880 -0.807 2.089 369 HA VAL 66 HA VAL 66 1.388 -0.319 4.615 370 HB VAL 66 HB VAL 66 1.026 -2.830 2.934 371 HG11 VAL 66 1HG1 VAL 66 1.281 -3.580 5.249 372 HG12 VAL 66 2HG1 VAL 66 0.134 -2.336 5.804 373 HG13 VAL 66 3HG1 VAL 66 -0.413 -3.684 4.783 374 HG21 VAL 66 3HG2 VAL 66 -1.393 -2.306 3.146 375 HG22 VAL 66 1HG2 VAL 66 -0.997 -0.819 4.031 376 HG23 VAL 66 2HG2 VAL 66 -0.528 -1.010 2.329 377 H THR 67 H THR 67 2.375 -1.099 6.395 378 HA THR 67 HA THR 67 4.799 -2.850 6.131 379 HB THR 67 HB THR 67 4.432 -0.686 8.246 380 HG1 THR 67 1HG THR 67 4.705 0.265 6.216 381 HG21 THR 67 3HG2 THR 67 6.874 -1.008 8.548 382 HG22 THR 67 1HG2 THR 67 5.967 -2.484 8.911 383 HG23 THR 67 2HG2 THR 67 6.842 -2.336 7.371 384 H PHE 68 H PHE 68 4.824 -4.564 7.537 385 HA PHE 68 HA PHE 68 2.344 -5.053 9.092 386 HB2 PHE 68 1HB PHE 68 4.529 -6.857 8.018 387 HB3 PHE 68 2HB PHE 68 3.253 -7.410 9.094 388 HD1 PHE 68 2HD PHE 68 0.913 -7.509 8.399 389 HD2 PHE 68 1HD PHE 68 3.990 -6.221 5.669 390 HE1 PHE 68 2HE PHE 68 -0.656 -7.779 6.499 391 HE2 PHE 68 1HE PHE 68 2.415 -6.490 3.769 392 HZ PHE 68 HZ PHE 68 0.091 -7.258 4.186 393 H MET 69 H MET 69 2.368 -5.890 11.210 394 HA MET 69 HA MET 69 4.311 -4.821 13.045 395 HB2 MET 69 1HB MET 69 2.113 -6.895 13.337 396 HB3 MET 69 2HB MET 69 3.113 -6.355 14.688 397 HG2 MET 69 1HG MET 69 1.394 -4.516 12.979 398 HG3 MET 69 2HG MET 69 0.957 -5.164 14.558 399 HE1 MET 69 3HE MET 69 1.446 -1.485 15.538 400 HE2 MET 69 1HE MET 69 0.609 -2.226 14.158 401 HE3 MET 69 2HE MET 69 0.477 -2.954 15.772 402 H ASP 70 H ASP 70 4.476 -7.655 11.131 403 HA ASP 70 HA ASP 70 7.139 -8.224 12.147 404 HB2 ASP 70 1HB ASP 70 5.583 -9.654 13.579 405 HB3 ASP 70 2HB ASP 70 5.105 -10.483 12.092 406 H GLN 71 H GLN 71 8.338 -9.578 10.678 407 HA GLN 71 HA GLN 71 7.889 -9.106 7.904 408 HB2 GLN 71 1HB GLN 71 10.076 -9.543 9.100 409 HB3 GLN 71 2HB GLN 71 9.598 -11.227 9.265 410 HG2 GLN 71 1HG GLN 71 11.145 -10.974 7.396 411 HG3 GLN 71 2HG GLN 71 9.577 -11.475 6.792 412 HE21 GLN 71 2HE2 GLN 71 10.445 -10.648 4.672 413 HE22 GLN 71 1HE2 GLN 71 10.347 -8.922 4.363 414 H ALA 72 H ALA 72 6.827 -11.781 9.986 415 HA ALA 72 HA ALA 72 6.151 -13.691 8.022 416 HB1 ALA 72 1HB ALA 72 6.113 -14.088 10.459 417 HB2 ALA 72 2HB ALA 72 4.718 -12.998 10.627 418 HB3 ALA 72 3HB ALA 72 4.559 -14.519 9.722 419 H GLY 73 H GLY 73 4.455 -10.642 8.755 420 HA2 GLY 73 1HA GLY 73 2.078 -11.326 7.196 421 HA3 GLY 73 2HA GLY 73 2.563 -9.706 7.748 422 H VAL 74 H VAL 74 5.236 -9.988 6.435 423 HA VAL 74 HA VAL 74 4.519 -9.100 3.728 424 HB VAL 74 HB VAL 74 7.231 -9.614 5.014 425 HG11 VAL 74 1HG1 VAL 74 7.528 -9.996 2.654 426 HG12 VAL 74 2HG1 VAL 74 6.628 -8.522 2.244 427 HG13 VAL 74 3HG1 VAL 74 8.200 -8.419 3.060 428 HG21 VAL 74 3HG2 VAL 74 7.443 -7.162 4.945 429 HG22 VAL 74 1HG2 VAL 74 5.797 -7.031 4.299 430 HG23 VAL 74 2HG2 VAL 74 6.071 -7.661 5.940 431 H ASP 75 H ASP 75 6.088 -11.979 5.240 432 HA ASP 75 HA ASP 75 6.624 -13.464 2.922 433 HB2 ASP 75 1HB ASP 75 7.292 -13.957 5.335 434 HB3 ASP 75 2HB ASP 75 5.675 -14.566 5.604 435 H LYS 76 H LYS 76 3.618 -13.408 4.867 436 HA LYS 76 HA LYS 76 2.183 -15.384 3.397 437 HB2 LYS 76 1HB LYS 76 1.349 -13.009 5.107 438 HB3 LYS 76 2HB LYS 76 0.194 -14.172 4.443 439 HG2 LYS 76 1HG LYS 76 1.083 -15.993 5.670 440 HG3 LYS 76 2HG LYS 76 2.524 -15.077 6.161 441 HD2 LYS 76 1HD LYS 76 1.203 -13.585 7.540 442 HD3 LYS 76 2HD LYS 76 -0.318 -14.217 6.880 443 HE2 LYS 76 1HE LYS 76 -0.028 -16.337 7.935 444 HE3 LYS 76 2HE LYS 76 1.625 -15.946 8.450 445 HZ1 LYS 76 3HZ LYS 76 -0.090 -15.670 10.225 446 HZ2 LYS 76 1HZ LYS 76 0.753 -14.297 9.941 447 HZ3 LYS 76 2HZ LYS 76 -0.763 -14.440 9.366 448 H VAL 77 H VAL 77 2.505 -11.903 2.810 449 HA VAL 77 HA VAL 77 0.430 -11.848 0.777 450 HB VAL 77 HB VAL 77 2.602 -9.847 1.445 451 HG11 VAL 77 1HG1 VAL 77 2.015 -9.503 -0.934 452 HG12 VAL 77 2HG1 VAL 77 0.286 -9.521 -0.516 453 HG13 VAL 77 3HG1 VAL 77 1.338 -8.216 0.068 454 HG21 VAL 77 3HG2 VAL 77 0.691 -8.571 2.372 455 HG22 VAL 77 1HG2 VAL 77 -0.439 -9.837 1.841 456 HG23 VAL 77 2HG2 VAL 77 0.732 -10.177 3.117 457 H LEU 78 H LEU 78 4.013 -12.082 0.638 458 HA LEU 78 HA LEU 78 4.203 -12.153 -2.237 459 HB2 LEU 78 1HB LEU 78 5.980 -13.416 -0.118 460 HB3 LEU 78 2HB LEU 78 6.452 -13.069 -1.780 461 HG LEU 78 HG LEU 78 5.635 -10.907 0.213 462 HD11 LEU 78 1HD1 LEU 78 7.521 -12.194 1.034 463 HD12 LEU 78 2HD1 LEU 78 8.354 -12.067 -0.527 464 HD13 LEU 78 3HD1 LEU 78 8.112 -10.607 0.469 465 HD21 LEU 78 3HD2 LEU 78 6.833 -9.401 -1.336 466 HD22 LEU 78 1HD2 LEU 78 7.084 -10.753 -2.463 467 HD23 LEU 78 2HD2 LEU 78 5.439 -10.169 -2.106 468 H ALA 79 H ALA 79 3.820 -14.685 0.211 469 HA ALA 79 HA ALA 79 4.124 -16.890 -1.507 470 HB1 ALA 79 1HB ALA 79 4.315 -17.001 0.940 471 HB2 ALA 79 2HB ALA 79 2.574 -16.668 1.112 472 HB3 ALA 79 3HB ALA 79 3.127 -18.180 0.363 473 H GLN 80 H GLN 80 1.495 -14.713 -1.592 474 HA GLN 80 HA GLN 80 -0.336 -16.737 -2.815 475 HB2 GLN 80 1HB GLN 80 -1.208 -15.573 -0.833 476 HB3 GLN 80 2HB GLN 80 -0.948 -14.009 -1.613 477 HG2 GLN 80 1HG GLN 80 -2.573 -14.556 -3.357 478 HG3 GLN 80 2HG GLN 80 -2.748 -16.202 -2.747 479 HE21 GLN 80 2HE2 GLN 80 -4.428 -13.402 -2.881 480 HE22 GLN 80 1HE2 GLN 80 -5.319 -13.554 -1.364 481 H SER 81 H SER 81 -0.875 -16.559 -4.950 482 HA SER 81 HA SER 81 0.857 -14.927 -6.565 483 HB2 SER 81 1HB SER 81 -1.369 -16.799 -7.430 484 HB3 SER 81 2HB SER 81 0.002 -16.241 -8.405 485 HG SER 81 HG SER 81 0.359 -18.351 -7.543 486 H ARG 82 H ARG 82 -2.237 -14.111 -5.412 487 HA ARG 82 HA ARG 82 -2.574 -11.901 -7.281 488 HB2 ARG 82 1HB ARG 82 -3.448 -13.886 -8.553 489 HB3 ARG 82 2HB ARG 82 -4.637 -14.150 -7.279 490 HG2 ARG 82 1HG ARG 82 -5.674 -11.968 -7.751 491 HG3 ARG 82 2HG ARG 82 -4.416 -11.589 -8.939 492 HD2 ARG 82 1HD ARG 82 -6.342 -13.941 -9.130 493 HD3 ARG 82 2HD ARG 82 -6.610 -12.365 -9.898 494 HE ARG 82 HE ARG 82 -4.077 -13.185 -10.745 495 HH11 ARG 82 1HH1 ARG 82 -7.376 -14.401 -11.144 496 HH12 ARG 82 2HH1 ARG 82 -7.009 -15.159 -12.665 497 HH21 ARG 82 1HH2 ARG 82 -3.669 -14.191 -12.707 498 HH22 ARG 82 2HH2 ARG 82 -4.940 -15.036 -13.536 499 H HIS 83 H HIS 83 -4.046 -10.355 -6.558 500 HA HIS 83 HA HIS 83 -5.520 -10.759 -4.011 501 HB2 HIS 83 1HB HIS 83 -3.344 -8.697 -4.551 502 HB3 HIS 83 2HB HIS 83 -4.457 -8.618 -3.184 503 HD1 HIS 83 1HD HIS 83 -4.114 -10.573 -1.279 504 HD2 HIS 83 2HD HIS 83 -1.234 -10.277 -4.328 505 HE1 HIS 83 1HE HIS 83 -2.055 -11.855 -0.457 506 H GLU 84 H GLU 84 -7.122 -9.029 -3.620 507 HA GLU 84 HA GLU 84 -7.781 -7.212 -5.843 508 HB2 GLU 84 1HB GLU 84 -8.654 -9.523 -6.462 509 HB3 GLU 84 2HB GLU 84 -9.709 -9.423 -5.050 510 HG2 GLU 84 1HG GLU 84 -10.647 -7.262 -6.047 511 HG3 GLU 84 2HG GLU 84 -9.693 -7.603 -7.494 512 H LEU 85 H LEU 85 -8.783 -5.450 -5.136 513 HA LEU 85 HA LEU 85 -10.364 -5.396 -2.650 514 HB2 LEU 85 1HB LEU 85 -8.083 -5.081 -1.837 515 HB3 LEU 85 2HB LEU 85 -7.775 -3.852 -3.070 516 HG LEU 85 HG LEU 85 -9.420 -2.341 -1.977 517 HD11 LEU 85 1HD1 LEU 85 -10.940 -3.911 -0.885 518 HD12 LEU 85 2HD1 LEU 85 -9.617 -4.580 0.088 519 HD13 LEU 85 3HD1 LEU 85 -10.171 -2.918 0.364 520 HD21 LEU 85 3HD2 LEU 85 -8.030 -1.839 -0.010 521 HD22 LEU 85 1HD2 LEU 85 -7.263 -3.438 -0.119 522 HD23 LEU 85 2HD2 LEU 85 -7.023 -2.243 -1.411 523 H ASP 86 H ASP 86 -12.035 -4.043 -2.873 524 HA ASP 86 HA ASP 86 -13.633 -2.844 -3.894 525 HB2 ASP 86 1HB ASP 86 -12.041 -1.010 -3.249 526 HB3 ASP 86 2HB ASP 86 -11.430 -1.016 -4.902 527 H SER 87 H SER 87 -12.852 -5.099 -5.271 528 HA SER 87 HA SER 87 -13.151 -6.246 -7.204 529 HB2 SER 87 1HB SER 87 -14.617 -3.787 -8.213 530 HB3 SER 87 2HB SER 87 -14.702 -5.426 -8.867 531 HG SER 87 HG SER 87 -16.462 -4.950 -7.445 532 H LYS 88 H LYS 88 -10.745 -4.378 -6.949 533 HA LYS 88 HA LYS 88 -9.863 -4.421 -9.813 534 HB2 LYS 88 1HB LYS 88 -9.525 -2.392 -7.595 535 HB3 LYS 88 2HB LYS 88 -8.188 -2.616 -8.707 536 HG2 LYS 88 1HG LYS 88 -10.995 -2.111 -9.751 537 HG3 LYS 88 2HG LYS 88 -9.939 -0.787 -9.235 538 HD2 LYS 88 1HD LYS 88 -8.199 -1.495 -10.820 539 HD3 LYS 88 2HD LYS 88 -9.225 -2.826 -11.389 540 HE2 LYS 88 1HE LYS 88 -10.909 -1.253 -12.205 541 HE3 LYS 88 2HE LYS 88 -10.045 0.110 -11.489 542 HZ1 LYS 88 3HZ LYS 88 -9.511 -0.018 -13.820 543 HZ2 LYS 88 1HZ LYS 88 -8.155 -0.444 -12.993 544 HZ3 LYS 88 2HZ LYS 88 -9.066 -1.588 -13.716 545 H THR 89 H THR 89 -8.171 -5.689 -10.226 546 HA THR 89 HA THR 89 -7.010 -7.396 -8.203 547 HB THR 89 HB THR 89 -6.062 -6.964 -11.060 548 HG1 THR 89 1HG THR 89 -7.507 -8.659 -11.515 549 HG21 THR 89 3HG2 THR 89 -5.292 -9.308 -10.844 550 HG22 THR 89 1HG2 THR 89 -4.519 -8.295 -9.617 551 HG23 THR 89 2HG2 THR 89 -5.870 -9.357 -9.163 552 H ILE 90 H ILE 90 -5.376 -6.903 -6.873 553 HA ILE 90 HA ILE 90 -3.715 -4.489 -7.487 554 HB ILE 90 HB ILE 90 -3.373 -4.144 -5.177 555 HG12 ILE 90 1HG1 ILE 90 -4.952 -6.646 -4.544 556 HG13 ILE 90 2HG1 ILE 90 -3.194 -6.453 -4.405 557 HG21 ILE 90 1HG2 ILE 90 -5.540 -3.353 -6.227 558 HG22 ILE 90 2HG2 ILE 90 -6.338 -4.782 -5.531 559 HG23 ILE 90 3HG2 ILE 90 -5.647 -3.563 -4.474 560 HD11 ILE 90 3HD1 ILE 90 -4.044 -6.167 -2.228 561 HD12 ILE 90 1HD1 ILE 90 -3.600 -4.543 -2.805 562 HD13 ILE 90 2HD1 ILE 90 -5.309 -5.047 -2.767 563 H ASP 91 H ASP 91 -1.519 -4.471 -6.818 564 HA ASP 91 HA ASP 91 -0.130 -7.113 -7.093 565 HB2 ASP 91 1HB ASP 91 -0.357 -6.013 -9.263 566 HB3 ASP 91 2HB ASP 91 0.371 -4.545 -8.611 567 HA PRO 92 HA PRO 92 1.834 -4.797 -3.675 568 HB2 PRO 92 1HB PRO 92 1.521 -6.678 -1.683 569 HB3 PRO 92 2HB PRO 92 0.337 -5.413 -2.099 570 HG2 PRO 92 1HG PRO 92 0.126 -8.312 -2.602 571 HG3 PRO 92 2HG PRO 92 -1.145 -7.040 -2.615 572 HD2 PRO 92 1HD PRO 92 0.258 -8.225 -4.861 573 HD3 PRO 92 2HD PRO 92 -1.090 -7.067 -4.850 574 H LYS 93 H LYS 93 3.921 -4.894 -3.071 575 HA LYS 93 HA LYS 93 5.606 -7.287 -3.437 576 HB2 LYS 93 1HB LYS 93 6.903 -6.298 -5.261 577 HB3 LYS 93 2HB LYS 93 5.207 -6.410 -5.715 578 HG2 LYS 93 1HG LYS 93 5.012 -3.938 -4.935 579 HG3 LYS 93 2HG LYS 93 6.770 -3.930 -4.864 580 HD2 LYS 93 1HD LYS 93 6.069 -2.958 -6.949 581 HD3 LYS 93 2HD LYS 93 6.828 -4.522 -7.306 582 HE2 LYS 93 1HE LYS 93 4.614 -5.576 -7.529 583 HE3 LYS 93 2HE LYS 93 3.810 -4.090 -7.020 584 HZ1 LYS 93 3HZ LYS 93 3.839 -4.478 -9.436 585 HZ2 LYS 93 1HZ LYS 93 4.482 -3.033 -9.038 586 HZ3 LYS 93 2HZ LYS 93 5.466 -4.285 -9.474 587 H VAL 94 H VAL 94 7.945 -6.786 -2.977 588 HA VAL 94 HA VAL 94 8.157 -5.450 -0.451 589 HB VAL 94 HB VAL 94 10.388 -6.369 -2.306 590 HG11 VAL 94 1HG1 VAL 94 11.308 -4.768 -0.687 591 HG12 VAL 94 2HG1 VAL 94 10.471 -5.593 0.649 592 HG13 VAL 94 3HG1 VAL 94 11.789 -6.400 -0.229 593 HG21 VAL 94 3HG2 VAL 94 10.484 -8.330 -0.757 594 HG22 VAL 94 1HG2 VAL 94 9.043 -7.720 0.082 595 HG23 VAL 94 2HG2 VAL 94 8.948 -8.238 -1.616 596 H ALA 95 H ALA 95 8.790 -3.455 0.151 597 HA ALA 95 HA ALA 95 8.662 -1.347 -1.855 598 HB1 ALA 95 1HB ALA 95 7.502 -1.147 0.295 599 HB2 ALA 95 2HB ALA 95 9.045 -1.294 1.167 600 HB3 ALA 95 3HB ALA 95 8.729 0.124 0.154 601 H PHE 96 H PHE 96 10.217 -0.049 -2.627 602 HA PHE 96 HA PHE 96 13.025 -0.456 -2.273 603 HB2 PHE 96 1HB PHE 96 11.537 2.051 -3.155 604 HB3 PHE 96 2HB PHE 96 13.234 1.726 -3.431 605 HD1 PHE 96 1HD PHE 96 12.553 -1.373 -4.269 606 HD2 PHE 96 2HD PHE 96 11.260 2.556 -5.513 607 HE1 PHE 96 1HE PHE 96 11.997 -2.258 -6.506 608 HE2 PHE 96 2HE PHE 96 10.709 1.659 -7.755 609 HZ PHE 96 HZ PHE 96 11.070 -0.753 -8.257 610 HA PRO 97 HA PRO 97 13.789 1.293 1.654 611 HB2 PRO 97 1HB PRO 97 16.311 2.407 1.425 612 HB3 PRO 97 2HB PRO 97 15.976 0.651 1.471 613 HG2 PRO 97 1HG PRO 97 16.355 2.411 -0.972 614 HG3 PRO 97 2HG PRO 97 17.144 0.841 -0.606 615 HD2 PRO 97 1HD PRO 97 14.991 0.945 -2.212 616 HD3 PRO 97 2HD PRO 97 15.128 -0.361 -0.999 617 H ARG 98 H ARG 98 14.320 3.251 2.910 618 HA ARG 98 HA ARG 98 13.281 5.717 1.619 619 HB2 ARG 98 1HB ARG 98 11.678 5.956 3.457 620 HB3 ARG 98 2HB ARG 98 11.410 4.563 2.434 621 HG2 ARG 98 1HG ARG 98 10.891 3.803 4.544 622 HG3 ARG 98 2HG ARG 98 12.464 3.101 4.216 623 HD2 ARG 98 1HD ARG 98 12.225 3.876 6.543 624 HD3 ARG 98 2HD ARG 98 13.528 4.725 5.723 625 HE ARG 98 HE ARG 98 10.919 6.075 5.606 626 HH11 ARG 98 1HH1 ARG 98 13.905 5.896 7.538 627 HH12 ARG 98 2HH1 ARG 98 13.629 7.493 8.190 628 HH21 ARG 98 1HH2 ARG 98 10.636 7.997 6.529 629 HH22 ARG 98 2HH2 ARG 98 11.811 8.636 7.674 630 H ARG 99 H ARG 99 13.750 7.656 2.499 631 HA ARG 99 HA ARG 99 15.685 7.904 4.756 632 HB2 ARG 99 1HB ARG 99 16.116 8.871 1.901 633 HB3 ARG 99 2HB ARG 99 17.039 9.463 3.270 634 HG2 ARG 99 1HG ARG 99 17.053 6.556 2.339 635 HG3 ARG 99 2HG ARG 99 18.193 7.796 1.849 636 HD2 ARG 99 1HD ARG 99 19.352 6.696 3.514 637 HD3 ARG 99 2HD ARG 99 18.736 8.137 4.338 638 HE ARG 99 HE ARG 99 16.923 5.889 4.575 639 HH11 ARG 99 1HH1 ARG 99 19.942 7.089 5.988 640 HH12 ARG 99 2HH1 ARG 99 19.718 6.173 7.448 641 HH21 ARG 99 1HH2 ARG 99 16.717 4.728 6.429 642 HH22 ARG 99 2HH2 ARG 99 17.900 4.852 7.703 643 H ALA 100 H ALA 100 14.361 9.026 6.028 644 HA ALA 100 HA ALA 100 13.993 11.831 5.697 645 HB1 ALA 100 1HB ALA 100 12.118 11.277 4.233 646 HB2 ALA 100 2HB ALA 100 11.473 10.118 5.409 647 HB3 ALA 100 3HB ALA 100 11.467 11.857 5.762 648 H GLN 101 H GLN 101 12.800 12.770 7.612 649 HA GLN 101 HA GLN 101 12.944 11.022 10.034 650 HB2 GLN 101 1HB GLN 101 13.943 13.886 9.714 651 HB3 GLN 101 2HB GLN 101 13.808 13.027 11.253 652 HG2 GLN 101 1HG GLN 101 15.414 11.309 10.431 653 HG3 GLN 101 2HG GLN 101 15.615 12.214 8.929 654 HE21 GLN 101 2HE2 GLN 101 17.813 11.607 10.666 655 HE22 GLN 101 1HE2 GLN 101 18.385 13.135 11.319 656 HA PRO 102 HA PRO 102 8.885 12.833 10.719 657 HB2 PRO 102 1HB PRO 102 8.440 12.192 13.333 658 HB3 PRO 102 2HB PRO 102 8.448 10.976 12.020 659 HG2 PRO 102 1HG PRO 102 10.695 11.659 13.939 660 HG3 PRO 102 2HG PRO 102 10.096 10.042 13.458 661 HD2 PRO 102 1HD PRO 102 12.287 11.228 12.306 662 HD3 PRO 102 2HD PRO 102 11.197 10.142 11.393 663 H LYS 103 H LYS 103 8.727 14.975 10.710 664 HA LYS 103 HA LYS 103 9.711 16.688 12.922 665 HB2 LYS 103 1HB LYS 103 10.540 16.996 10.001 666 HB3 LYS 103 2HB LYS 103 10.760 18.218 11.256 667 HG2 LYS 103 1HG LYS 103 12.219 16.618 12.529 668 HG3 LYS 103 2HG LYS 103 12.038 15.450 11.220 669 HD2 LYS 103 1HD LYS 103 14.154 16.557 10.956 670 HD3 LYS 103 2HD LYS 103 13.086 16.986 9.628 671 HE2 LYS 103 1HE LYS 103 14.296 18.952 10.294 672 HE3 LYS 103 2HE LYS 103 12.600 19.176 10.718 673 HZ1 LYS 103 3HZ LYS 103 14.093 19.863 12.517 674 HZ2 LYS 103 1HZ LYS 103 13.178 18.615 13.026 675 HZ3 LYS 103 2HZ LYS 103 14.744 18.372 12.620 676 H5' G 104 H5' G 104 -4.545 -0.253 -11.618 677 H5'' G 104 H5" G 104 -6.010 0.607 -11.125 678 H4' G 104 H4' G 104 -4.548 1.048 -13.771 679 H3' G 104 H3' G 104 -3.540 1.873 -11.356 680 H2' G 104 H2' G 104 -5.445 2.957 -10.527 681 HO2' G 104 HO2 G 104 -3.861 4.764 -11.976 682 H1' G 104 H1' G 104 -6.083 4.205 -13.196 683 H8 G 104 8H G 104 -7.564 2.351 -10.115 684 H1 G 104 1H G 104 -11.670 6.077 -13.388 685 H21 G 104 1H2 G 104 -10.633 6.833 -15.242 686 H22 G 104 2H2 G 104 -8.969 6.373 -15.552 687 HO5' G 104 H5T G 104 -5.668 -1.178 -13.341 688 H5' U 105 H5' U 105 -1.751 2.975 -10.485 689 H5'' U 105 H5" U 105 -0.641 3.958 -11.436 690 H4' U 105 H4' U 105 0.341 3.163 -9.325 691 H3' U 105 H3' U 105 1.626 3.253 -11.743 692 H2' U 105 H2' U 105 1.237 0.990 -12.288 693 HO2' U 105 HO2 U 105 3.776 1.449 -11.473 694 H1' U 105 H1' U 105 1.943 0.217 -9.456 695 H3 U 105 3H U 105 1.598 -4.154 -10.674 696 H5 U 105 5H U 105 -1.721 -2.413 -12.538 697 H6 U 105 6H U 105 -1.021 -0.243 -11.677 698 H5' A 106 H5' A 106 3.510 4.425 -7.530 699 H5'' A 106 H5" A 106 3.750 5.805 -8.597 700 H4' A 106 H4' A 106 4.838 6.288 -6.553 701 H3' A 106 H3' A 106 6.211 6.477 -8.923 702 H2' A 106 H2' A 106 7.217 4.350 -8.848 703 HO2' A 106 HO2 A 106 8.919 6.264 -7.708 704 H1' A 106 H1' A 106 7.847 4.641 -5.913 705 H8 A 106 8H A 106 6.698 2.160 -8.693 706 H61 A 106 1H6 A 106 8.778 -2.051 -4.504 707 H62 A 106 2H6 A 106 8.201 -1.913 -6.165 708 H2 A 106 2H A 106 8.998 1.829 -2.689 709 H5' G 107 H5' G 107 7.732 8.571 -4.485 710 H5'' G 107 H5" G 107 7.072 6.943 -4.300 711 H4' G 107 H4' G 107 5.502 9.121 -2.992 712 H3' G 107 H3' G 107 8.310 8.404 -2.107 713 H2' G 107 H2' G 107 7.519 8.694 0.129 714 HO2' G 107 HO2 G 107 6.305 10.730 -0.583 715 H1' G 107 H1' G 107 4.892 7.786 -0.376 716 H8 G 107 8H G 107 5.015 6.464 1.730 717 H1 G 107 1H G 107 10.405 3.385 -0.023 718 H21 G 107 1H2 G 107 11.192 4.311 -1.894 719 H22 G 107 2H2 G 107 10.257 5.533 -2.739 720 H5' U 108 H5' U 108 10.482 12.198 0.486 721 H5'' U 108 H5" U 108 11.418 11.468 -0.817 722 H4' U 108 H4' U 108 12.401 10.727 1.196 723 H3' U 108 H3' U 108 11.475 8.844 -0.625 724 HO3' U 108 H3T U 108 13.494 8.596 0.305 725 H2' U 108 H2' U 108 9.467 8.421 0.545 726 HO2' U 108 HO2 U 108 11.480 6.645 1.051 727 H1' U 108 H1' U 108 11.052 8.468 3.126 728 H3 U 108 3H U 108 7.362 7.359 5.544 729 H5 U 108 5H U 108 5.833 10.014 2.693 730 H6 U 108 6H U 108 8.072 10.213 1.731 Start of MODEL 10 1 H CYS 20 1H CYS 20 10.288 -5.260 5.973 2 HA CYS 20 HA CYS 20 8.321 -6.556 6.328 3 HB2 CYS 20 1HB CYS 20 6.793 -5.997 8.227 4 HB3 CYS 20 2HB CYS 20 8.327 -6.674 8.746 5 HG CYS 20 HG CYS 20 7.163 -4.590 10.186 6 H LYS 21 H LYS 21 9.106 -3.905 4.867 7 HA LYS 21 HA LYS 21 6.367 -2.729 4.725 8 HB2 LYS 21 1HB LYS 21 8.142 -1.247 5.567 9 HB3 LYS 21 2HB LYS 21 9.029 -1.431 4.048 10 HG2 LYS 21 1HG LYS 21 7.295 -0.313 2.800 11 HG3 LYS 21 2HG LYS 21 6.142 -0.459 4.128 12 HD2 LYS 21 1HD LYS 21 7.533 1.095 5.496 13 HD3 LYS 21 2HD LYS 21 8.644 1.283 4.123 14 HE2 LYS 21 1HE LYS 21 6.894 2.221 2.738 15 HE3 LYS 21 2HE LYS 21 5.643 1.832 3.932 16 HZ1 LYS 21 3HZ LYS 21 6.508 4.194 3.842 17 HZ2 LYS 21 1HZ LYS 21 6.378 3.522 5.336 18 HZ3 LYS 21 2HZ LYS 21 7.854 3.662 4.590 19 H MET 22 H MET 22 5.359 -2.362 2.845 20 HA MET 22 HA MET 22 6.428 -3.529 0.317 21 HB2 MET 22 1HB MET 22 3.750 -4.134 1.647 22 HB3 MET 22 2HB MET 22 4.217 -4.629 0.018 23 HG2 MET 22 1HG MET 22 6.185 -5.861 1.031 24 HG3 MET 22 2HG MET 22 5.546 -5.454 2.617 25 HE1 MET 22 3HE MET 22 4.022 -8.567 -0.377 26 HE2 MET 22 1HE MET 22 3.946 -6.852 -0.831 27 HE3 MET 22 2HE MET 22 5.509 -7.605 -0.429 28 H PHE 23 H PHE 23 5.816 -2.616 -1.480 29 HA PHE 23 HA PHE 23 4.171 -0.141 -1.579 30 HB2 PHE 23 1HB PHE 23 6.216 -0.058 -2.850 31 HB3 PHE 23 2HB PHE 23 5.960 -1.663 -3.517 32 HD1 PHE 23 1HD PHE 23 4.202 -2.052 -5.281 33 HD2 PHE 23 2HD PHE 23 5.208 1.900 -3.895 34 HE1 PHE 23 1HE PHE 23 3.175 -1.090 -7.307 35 HE2 PHE 23 2HE PHE 23 4.174 2.850 -5.929 36 HZ PHE 23 HZ PHE 23 3.160 1.381 -7.642 37 H ILE 24 H ILE 24 2.137 -0.167 -2.506 38 HA ILE 24 HA ILE 24 0.986 -2.841 -3.271 39 HB ILE 24 HB ILE 24 -0.565 -0.618 -1.923 40 HG12 ILE 24 1HG1 ILE 24 1.092 -1.165 -0.267 41 HG13 ILE 24 2HG1 ILE 24 -0.497 -1.729 0.192 42 HG21 ILE 24 1HG2 ILE 24 -1.801 -2.315 -3.234 43 HG22 ILE 24 2HG2 ILE 24 -1.098 -3.603 -2.249 44 HG23 ILE 24 3HG2 ILE 24 -2.179 -2.402 -1.509 45 HD11 ILE 24 3HD1 ILE 24 1.352 -3.297 0.783 46 HD12 ILE 24 1HD1 ILE 24 0.110 -4.036 -0.229 47 HD13 ILE 24 2HD1 ILE 24 1.666 -3.559 -0.936 48 H GLY 25 H GLY 25 1.033 -2.667 -5.489 49 HA2 GLY 25 1HA GLY 25 0.096 -0.189 -6.832 50 HA3 GLY 25 2HA GLY 25 0.814 -1.628 -7.584 51 H GLY 26 H GLY 26 -1.365 -0.430 -8.718 52 HA2 GLY 26 1HA GLY 26 -3.142 -1.272 -9.926 53 HA3 GLY 26 2HA GLY 26 -3.001 -2.803 -9.039 54 H LEU 27 H LEU 27 -3.471 0.042 -7.113 55 HA LEU 27 HA LEU 27 -5.954 -0.952 -5.990 56 HB2 LEU 27 1HB LEU 27 -4.601 1.767 -5.708 57 HB3 LEU 27 2HB LEU 27 -5.887 1.151 -4.695 58 HG LEU 27 HG LEU 27 -3.049 0.047 -4.820 59 HD11 LEU 27 1HD1 LEU 27 -3.387 2.241 -3.657 60 HD12 LEU 27 2HD1 LEU 27 -4.592 1.488 -2.615 61 HD13 LEU 27 3HD1 LEU 27 -2.898 0.944 -2.548 62 HD21 LEU 27 3HD2 LEU 27 -3.882 -1.292 -2.794 63 HD22 LEU 27 1HD2 LEU 27 -5.516 -1.000 -3.419 64 HD23 LEU 27 2HD2 LEU 27 -4.306 -1.846 -4.412 65 H SER 28 H SER 28 -7.871 0.542 -5.707 66 HA SER 28 HA SER 28 -8.853 1.532 -8.326 67 HB2 SER 28 1HB SER 28 -10.412 0.223 -7.038 68 HB3 SER 28 2HB SER 28 -10.152 1.226 -5.602 69 HG SER 28 HG SER 28 -12.091 1.700 -6.909 70 H TRP 29 H TRP 29 -9.438 3.722 -8.668 71 HA TRP 29 HA TRP 29 -7.999 5.817 -7.374 72 HB2 TRP 29 1HB TRP 29 -10.497 5.885 -9.075 73 HB3 TRP 29 2HB TRP 29 -9.590 7.305 -8.570 74 HD1 TRP 29 HD TRP 29 -6.683 5.737 -9.180 75 HE1 TRP 29 1HE TRP 29 -5.878 5.665 -11.584 76 HE3 TRP 29 3HE TRP 29 -11.135 6.683 -11.535 77 HZ2 TRP 29 2HZ TRP 29 -6.986 6.109 -14.234 78 HZ3 TRP 29 3HZ TRP 29 -11.225 6.850 -14.009 79 HH2 TRP 29 HH TRP 29 -9.163 6.567 -15.365 80 H GLN 30 H GLN 30 -10.603 4.089 -6.102 81 HA GLN 30 HA GLN 30 -11.132 6.238 -4.076 82 HB2 GLN 30 1HB GLN 30 -13.018 4.128 -5.199 83 HB3 GLN 30 2HB GLN 30 -13.405 5.185 -3.843 84 HG2 GLN 30 1HG GLN 30 -12.753 6.204 -6.649 85 HG3 GLN 30 2HG GLN 30 -14.369 5.919 -6.027 86 HE21 GLN 30 2HE2 GLN 30 -11.470 8.043 -5.634 87 HE22 GLN 30 1HE2 GLN 30 -12.379 9.287 -4.792 88 H THR 31 H THR 31 -9.245 3.615 -4.296 89 HA THR 31 HA THR 31 -9.901 2.231 -1.822 90 HB THR 31 HB THR 31 -7.258 2.496 -3.319 91 HG1 THR 31 1HG THR 31 -9.276 0.502 -3.219 92 HG21 THR 31 3HG2 THR 31 -6.741 0.332 -2.092 93 HG22 THR 31 1HG2 THR 31 -6.753 1.764 -1.063 94 HG23 THR 31 2HG2 THR 31 -8.137 0.645 -1.051 95 H THR 32 H THR 32 -9.183 2.616 0.227 96 HA THR 32 HA THR 32 -7.648 5.121 0.786 97 HB THR 32 HB THR 32 -8.869 5.337 2.878 98 HG1 THR 32 1HG THR 32 -10.716 3.922 3.160 99 HG21 THR 32 3HG2 THR 32 -11.049 5.992 2.064 100 HG22 THR 32 1HG2 THR 32 -9.848 6.392 0.825 101 HG23 THR 32 2HG2 THR 32 -10.891 4.966 0.625 102 H GLN 33 H GLN 33 -6.346 5.049 2.730 103 HA GLN 33 HA GLN 33 -4.833 2.597 2.967 104 HB2 GLN 33 1HB GLN 33 -3.548 3.845 4.688 105 HB3 GLN 33 2HB GLN 33 -3.664 4.576 3.098 106 HG2 GLN 33 1HG GLN 33 -5.510 6.087 4.028 107 HG3 GLN 33 2HG GLN 33 -5.031 5.506 5.630 108 HE21 GLN 33 2HE2 GLN 33 -3.442 6.864 6.597 109 HE22 GLN 33 1HE2 GLN 33 -2.352 7.878 5.667 110 H GLU 34 H GLU 34 -7.551 3.827 4.788 111 HA GLU 34 HA GLU 34 -7.329 1.864 6.939 112 HB2 GLU 34 1HB GLU 34 -9.717 3.420 5.858 113 HB3 GLU 34 2HB GLU 34 -9.747 2.372 7.284 114 HG2 GLU 34 1HG GLU 34 -7.991 3.779 8.354 115 HG3 GLU 34 2HG GLU 34 -8.016 4.864 6.960 116 H GLY 35 H GLY 35 -8.819 1.949 3.678 117 HA2 GLY 35 1HA GLY 35 -10.025 -0.666 3.751 118 HA3 GLY 35 2HA GLY 35 -9.599 0.285 2.307 119 H LEU 36 H LEU 36 -6.743 0.488 2.821 120 HA LEU 36 HA LEU 36 -5.767 -2.093 2.052 121 HB2 LEU 36 1HB LEU 36 -4.162 0.144 3.394 122 HB3 LEU 36 2HB LEU 36 -3.515 -1.252 2.563 123 HG LEU 36 HG LEU 36 -4.922 1.120 1.320 124 HD11 LEU 36 1HD1 LEU 36 -2.507 1.326 1.880 125 HD12 LEU 36 2HD1 LEU 36 -2.169 -0.104 0.878 126 HD13 LEU 36 3HD1 LEU 36 -2.800 1.373 0.130 127 HD21 LEU 36 3HD2 LEU 36 -4.570 -0.024 -0.864 128 HD22 LEU 36 1HD2 LEU 36 -4.193 -1.525 0.008 129 HD23 LEU 36 2HD2 LEU 36 -5.804 -0.769 0.147 130 H ARG 37 H ARG 37 -5.656 -0.532 5.321 131 HA ARG 37 HA ARG 37 -4.586 -2.815 6.633 132 HB2 ARG 37 1HB ARG 37 -4.762 -0.629 7.706 133 HB3 ARG 37 2HB ARG 37 -6.528 -0.701 7.666 134 HG2 ARG 37 1HG ARG 37 -6.536 -2.623 9.211 135 HG3 ARG 37 2HG ARG 37 -4.766 -2.684 9.174 136 HD2 ARG 37 1HD ARG 37 -4.763 -0.327 10.075 137 HD3 ARG 37 2HD ARG 37 -6.527 -0.429 10.190 138 HE ARG 37 HE ARG 37 -4.884 -2.487 11.610 139 HH11 ARG 37 1HH1 ARG 37 -6.800 0.481 11.987 140 HH12 ARG 37 2HH1 ARG 37 -7.109 0.163 13.667 141 HH21 ARG 37 1HH2 ARG 37 -5.420 -2.881 13.721 142 HH22 ARG 37 2HH2 ARG 37 -6.307 -1.692 14.650 143 H GLU 38 H GLU 38 -7.977 -2.052 5.880 144 HA GLU 38 HA GLU 38 -9.185 -4.207 7.174 145 HB2 GLU 38 1HB GLU 38 -10.113 -2.107 5.733 146 HB3 GLU 38 2HB GLU 38 -10.320 -3.368 4.514 147 HG2 GLU 38 1HG GLU 38 -11.563 -4.714 6.241 148 HG3 GLU 38 2HG GLU 38 -11.350 -3.366 7.369 149 H TYR 39 H TYR 39 -7.629 -4.177 3.964 150 HA TYR 39 HA TYR 39 -8.334 -6.971 3.377 151 HB2 TYR 39 1HB TYR 39 -8.186 -5.220 1.645 152 HB3 TYR 39 2HB TYR 39 -6.469 -5.022 1.975 153 HD1 TYR 39 1HD TYR 39 -9.036 -7.565 0.970 154 HD2 TYR 39 2HD TYR 39 -4.876 -6.438 0.889 155 HE1 TYR 39 1HE TYR 39 -8.540 -9.529 -0.465 156 HE2 TYR 39 2HE TYR 39 -4.372 -8.386 -0.562 157 HH TYR 39 HH TYR 39 -6.927 -10.747 -1.520 158 H PHE 40 H PHE 40 -5.394 -5.180 4.335 159 HA PHE 40 HA PHE 40 -3.747 -7.542 4.148 160 HB2 PHE 40 1HB PHE 40 -3.247 -4.659 4.846 161 HB3 PHE 40 2HB PHE 40 -1.994 -5.836 5.097 162 HD1 PHE 40 2HD PHE 40 -1.747 -7.603 2.975 163 HD2 PHE 40 1HD PHE 40 -3.289 -3.589 2.721 164 HE1 PHE 40 2HE PHE 40 -1.332 -7.593 0.533 165 HE2 PHE 40 1HE PHE 40 -2.896 -3.590 0.285 166 HZ PHE 40 HZ PHE 40 -1.916 -5.589 -0.822 167 H GLY 41 H GLY 41 -5.515 -6.159 6.801 168 HA2 GLY 41 1HA GLY 41 -4.158 -7.415 8.972 169 HA3 GLY 41 2HA GLY 41 -5.859 -6.930 8.930 170 H GLN 42 H GLN 42 -5.852 -8.933 6.416 171 HA GLN 42 HA GLN 42 -6.697 -11.365 7.780 172 HB2 GLN 42 1HB GLN 42 -5.950 -10.886 4.860 173 HB3 GLN 42 2HB GLN 42 -6.816 -12.283 5.498 174 HG2 GLN 42 1HG GLN 42 -8.699 -10.802 6.183 175 HG3 GLN 42 2HG GLN 42 -7.842 -9.414 5.505 176 HE21 GLN 42 2HE2 GLN 42 -7.295 -9.518 3.126 177 HE22 GLN 42 1HE2 GLN 42 -8.428 -10.365 2.076 178 H PHE 43 H PHE 43 -3.651 -10.163 6.509 179 HA PHE 43 HA PHE 43 -2.323 -12.820 6.698 180 HB2 PHE 43 1HB PHE 43 -1.293 -10.182 5.584 181 HB3 PHE 43 2HB PHE 43 -0.561 -11.762 5.400 182 HD1 PHE 43 1HD PHE 43 -1.594 -13.459 3.869 183 HD2 PHE 43 2HD PHE 43 -3.240 -9.520 4.269 184 HE1 PHE 43 1HE PHE 43 -2.905 -13.798 1.788 185 HE2 PHE 43 2HE PHE 43 -4.556 -9.837 2.191 186 HZ PHE 43 HZ PHE 43 -4.398 -11.989 0.952 187 H GLY 44 H GLY 44 -2.216 -9.533 8.034 188 HA2 GLY 44 1HA GLY 44 -1.464 -10.329 10.634 189 HA3 GLY 44 2HA GLY 44 0.000 -9.794 9.823 190 H GLU 45 H GLU 45 -1.337 -8.508 12.091 191 HA GLU 45 HA GLU 45 -2.741 -6.157 11.275 192 HB2 GLU 45 1HB GLU 45 -2.730 -7.010 13.586 193 HB3 GLU 45 2HB GLU 45 -1.007 -6.657 13.728 194 HG2 GLU 45 1HG GLU 45 -2.389 -4.972 14.852 195 HG3 GLU 45 2HG GLU 45 -1.437 -4.252 13.566 196 H VAL 46 H VAL 46 -2.000 -3.980 11.081 197 HA VAL 46 HA VAL 46 0.664 -3.895 9.771 198 HB VAL 46 HB VAL 46 -0.147 -2.272 8.295 199 HG11 VAL 46 1HG1 VAL 46 -0.666 -4.652 7.770 200 HG12 VAL 46 2HG1 VAL 46 -2.283 -4.441 8.483 201 HG13 VAL 46 3HG1 VAL 46 -1.822 -3.522 7.045 202 HG21 VAL 46 3HG2 VAL 46 -2.533 -1.551 8.219 203 HG22 VAL 46 1HG2 VAL 46 -2.712 -2.192 9.872 204 HG23 VAL 46 2HG2 VAL 46 -1.586 -0.858 9.543 205 H LYS 47 H LYS 47 2.124 -2.509 10.216 206 HA LYS 47 HA LYS 47 2.121 -0.930 12.693 207 HB2 LYS 47 1HB LYS 47 3.945 -2.457 11.877 208 HB3 LYS 47 2HB LYS 47 4.217 -1.380 10.511 209 HG2 LYS 47 1HG LYS 47 4.833 0.452 12.069 210 HG3 LYS 47 2HG LYS 47 4.527 -0.615 13.445 211 HD2 LYS 47 1HD LYS 47 6.648 -1.023 11.289 212 HD3 LYS 47 2HD LYS 47 6.929 -0.404 12.922 213 HE2 LYS 47 1HE LYS 47 6.061 -2.572 13.856 214 HE3 LYS 47 2HE LYS 47 5.909 -3.191 12.205 215 HZ1 LYS 47 3HZ LYS 47 7.998 -3.879 13.206 216 HZ2 LYS 47 1HZ LYS 47 8.312 -2.886 11.943 217 HZ3 LYS 47 2HZ LYS 47 8.448 -2.332 13.478 218 H GLU 48 H GLU 48 1.806 -0.377 9.252 219 HA GLU 48 HA GLU 48 1.120 2.435 9.510 220 HB2 GLU 48 1HB GLU 48 3.595 2.580 9.557 221 HB3 GLU 48 2HB GLU 48 3.694 1.613 8.087 222 HG2 GLU 48 1HG GLU 48 2.601 3.393 6.794 223 HG3 GLU 48 2HG GLU 48 2.382 4.351 8.266 224 H CYS 49 H CYS 49 -0.053 3.100 7.684 225 HA CYS 49 HA CYS 49 0.070 1.561 5.203 226 HB2 CYS 49 1HB CYS 49 -2.386 1.269 5.062 227 HB3 CYS 49 2HB CYS 49 -1.671 0.335 6.382 228 HG CYS 49 HG CYS 49 -4.154 1.612 6.737 229 H LEU 50 H LEU 50 -0.454 2.744 3.406 230 HA LEU 50 HA LEU 50 -1.160 5.626 3.676 231 HB2 LEU 50 1HB LEU 50 1.340 4.465 2.401 232 HB3 LEU 50 2HB LEU 50 0.805 6.117 2.172 233 HG LEU 50 HG LEU 50 1.662 4.960 4.848 234 HD11 LEU 50 1HD1 LEU 50 3.502 5.059 3.184 235 HD12 LEU 50 2HD1 LEU 50 3.144 6.771 2.877 236 HD13 LEU 50 3HD1 LEU 50 3.729 6.242 4.475 237 HD21 LEU 50 3HD2 LEU 50 1.747 7.345 5.546 238 HD22 LEU 50 1HD2 LEU 50 1.093 7.835 3.968 239 HD23 LEU 50 2HD2 LEU 50 0.102 6.882 5.092 240 H VAL 51 H VAL 51 -2.063 6.492 1.875 241 HA VAL 51 HA VAL 51 -1.871 5.058 -0.745 242 HB VAL 51 HB VAL 51 -4.435 6.185 0.449 243 HG11 VAL 51 1HG1 VAL 51 -4.293 6.984 -1.872 244 HG12 VAL 51 2HG1 VAL 51 -3.879 5.347 -2.431 245 HG13 VAL 51 3HG1 VAL 51 -5.485 5.695 -1.755 246 HG21 VAL 51 3HG2 VAL 51 -5.339 3.942 -0.123 247 HG22 VAL 51 1HG2 VAL 51 -3.742 3.444 -0.709 248 HG23 VAL 51 2HG2 VAL 51 -3.990 3.818 1.009 249 H MET 52 H MET 52 -1.123 6.347 -2.268 250 HA MET 52 HA MET 52 -0.292 9.056 -1.493 251 HB2 MET 52 1HB MET 52 0.393 7.219 -3.809 252 HB3 MET 52 2HB MET 52 1.099 8.829 -3.578 253 HG2 MET 52 1HG MET 52 1.295 6.645 -1.474 254 HG3 MET 52 2HG MET 52 2.491 6.923 -2.716 255 HE1 MET 52 3HE MET 52 2.201 8.961 1.243 256 HE2 MET 52 1HE MET 52 0.745 8.340 0.431 257 HE3 MET 52 2HE MET 52 2.118 7.252 0.755 258 H ARG 53 H ARG 53 -2.836 9.323 -1.630 259 HA ARG 53 HA ARG 53 -3.922 9.845 -4.227 260 HB2 ARG 53 1HB ARG 53 -5.963 10.506 -3.030 261 HB3 ARG 53 2HB ARG 53 -5.309 8.982 -2.443 262 HG2 ARG 53 1HG ARG 53 -4.203 10.345 -0.545 263 HG3 ARG 53 2HG ARG 53 -5.233 11.689 -1.064 264 HD2 ARG 53 1HD ARG 53 -7.242 10.345 -0.682 265 HD3 ARG 53 2HD ARG 53 -6.279 8.918 -0.308 266 HE ARG 53 HE ARG 53 -6.905 11.127 1.464 267 HH11 ARG 53 1HH1 ARG 53 -4.390 8.688 0.931 268 HH12 ARG 53 2HH1 ARG 53 -4.016 8.559 2.618 269 HH21 ARG 53 1HH2 ARG 53 -6.305 10.989 3.618 270 HH22 ARG 53 2HH2 ARG 53 -5.035 9.908 4.105 271 H ASP 54 H ASP 54 -4.634 11.683 -5.178 272 HA ASP 54 HA ASP 54 -3.215 14.193 -4.721 273 HB2 ASP 54 1HB ASP 54 -3.738 13.424 -6.975 274 HB3 ASP 54 2HB ASP 54 -5.454 13.340 -6.593 275 HA PRO 55 HA PRO 55 -6.404 15.406 -1.836 276 HB2 PRO 55 1HB PRO 55 -5.536 17.872 -1.049 277 HB3 PRO 55 2HB PRO 55 -4.653 16.364 -0.666 278 HG2 PRO 55 1HG PRO 55 -4.123 18.304 -2.939 279 HG3 PRO 55 2HG PRO 55 -2.947 17.618 -1.776 280 HD2 PRO 55 1HD PRO 55 -3.345 16.557 -4.273 281 HD3 PRO 55 2HD PRO 55 -2.948 15.536 -2.857 282 H LEU 56 H LEU 56 -6.134 17.014 -4.910 283 HA LEU 56 HA LEU 56 -8.442 18.815 -4.398 284 HB2 LEU 56 1HB LEU 56 -6.507 18.371 -6.709 285 HB3 LEU 56 2HB LEU 56 -8.000 19.233 -6.940 286 HG LEU 56 HG LEU 56 -6.147 20.751 -6.677 287 HD11 LEU 56 1HD1 LEU 56 -8.409 21.456 -5.931 288 HD12 LEU 56 2HD1 LEU 56 -7.997 20.981 -4.267 289 HD13 LEU 56 3HD1 LEU 56 -7.106 22.287 -5.066 290 HD21 LEU 56 3HD2 LEU 56 -4.900 21.074 -4.642 291 HD22 LEU 56 1HD2 LEU 56 -5.818 19.813 -3.804 292 HD23 LEU 56 2HD2 LEU 56 -4.728 19.384 -5.147 293 H THR 57 H THR 57 -7.622 15.849 -6.140 294 HA THR 57 HA THR 57 -10.446 15.591 -7.120 295 HB THR 57 HB THR 57 -9.527 14.208 -8.887 296 HG1 THR 57 1HG THR 57 -6.992 14.837 -7.775 297 HG21 THR 57 3HG2 THR 57 -8.281 15.850 -10.152 298 HG22 THR 57 1HG2 THR 57 -9.576 16.665 -9.256 299 HG23 THR 57 2HG2 THR 57 -7.896 16.773 -8.686 300 H LYS 58 H LYS 58 -8.301 14.213 -4.893 301 HA LYS 58 HA LYS 58 -8.318 12.451 -3.523 302 HB2 LYS 58 1HB LYS 58 -11.259 12.419 -4.268 303 HB3 LYS 58 2HB LYS 58 -10.561 11.245 -3.171 304 HG2 LYS 58 1HG LYS 58 -11.560 13.032 -1.931 305 HG3 LYS 58 2HG LYS 58 -9.828 12.968 -1.629 306 HD2 LYS 58 1HD LYS 58 -9.448 14.934 -3.011 307 HD3 LYS 58 2HD LYS 58 -11.139 14.968 -3.532 308 HE2 LYS 58 1HE LYS 58 -10.174 15.289 -0.648 309 HE3 LYS 58 2HE LYS 58 -10.464 16.638 -1.746 310 HZ1 LYS 58 3HZ LYS 58 -12.388 16.247 -0.354 311 HZ2 LYS 58 1HZ LYS 58 -12.788 15.942 -1.907 312 HZ3 LYS 58 2HZ LYS 58 -12.534 14.704 -0.866 313 H ARG 59 H ARG 59 -8.149 12.079 -6.678 314 HA ARG 59 HA ARG 59 -8.302 9.270 -7.228 315 HB2 ARG 59 1HB ARG 59 -6.502 11.479 -8.313 316 HB3 ARG 59 2HB ARG 59 -6.566 9.841 -8.970 317 HG2 ARG 59 1HG ARG 59 -8.921 10.090 -9.564 318 HG3 ARG 59 2HG ARG 59 -9.006 11.664 -8.770 319 HD2 ARG 59 1HD ARG 59 -8.840 12.020 -11.154 320 HD3 ARG 59 2HD ARG 59 -7.384 12.605 -10.363 321 HE ARG 59 HE ARG 59 -6.121 11.060 -11.503 322 HH11 ARG 59 1HH1 ARG 59 -9.491 10.032 -11.855 323 HH12 ARG 59 2HH1 ARG 59 -9.082 8.793 -13.006 324 HH21 ARG 59 1HH2 ARG 59 -5.679 9.481 -13.022 325 HH22 ARG 59 2HH2 ARG 59 -6.970 8.517 -13.677 326 H SER 60 H SER 60 -7.217 7.660 -6.359 327 HA SER 60 HA SER 60 -5.130 7.948 -4.416 328 HB2 SER 60 1HB SER 60 -5.234 5.545 -4.315 329 HB3 SER 60 2HB SER 60 -6.886 6.143 -4.573 330 HG SER 60 HG SER 60 -6.581 4.509 -6.024 331 H ARG 61 H ARG 61 -4.818 8.064 -7.770 332 HA ARG 61 HA ARG 61 -3.193 7.794 -9.313 333 HB2 ARG 61 1HB ARG 61 -1.218 7.609 -6.997 334 HB3 ARG 61 2HB ARG 61 -0.804 7.729 -8.699 335 HG2 ARG 61 1HG ARG 61 -1.897 9.939 -8.856 336 HG3 ARG 61 2HG ARG 61 -2.363 9.841 -7.154 337 HD2 ARG 61 1HD ARG 61 -0.366 11.216 -7.355 338 HD3 ARG 61 2HD ARG 61 0.010 9.724 -6.487 339 HE ARG 61 HE ARG 61 0.538 9.796 -9.406 340 HH11 ARG 61 1HH1 ARG 61 2.055 10.027 -6.180 341 HH12 ARG 61 2HH1 ARG 61 3.586 9.455 -6.838 342 HH21 ARG 61 1HH2 ARG 61 2.631 9.112 -10.058 343 HH22 ARG 61 2HH2 ARG 61 3.881 9.003 -8.824 344 H GLY 62 H GLY 62 -4.362 5.381 -7.532 345 HA2 GLY 62 1HA GLY 62 -4.608 3.153 -8.045 346 HA3 GLY 62 2HA GLY 62 -3.360 3.298 -9.307 347 H PHE 63 H PHE 63 -2.342 4.378 -6.125 348 HA PHE 63 HA PHE 63 -1.397 1.751 -5.338 349 HB2 PHE 63 1HB PHE 63 0.874 1.934 -5.739 350 HB3 PHE 63 2HB PHE 63 0.190 2.562 -7.216 351 HD1 PHE 63 1HD PHE 63 0.108 5.129 -7.525 352 HD2 PHE 63 2HD PHE 63 2.254 3.227 -4.308 353 HE1 PHE 63 1HE PHE 63 1.349 7.230 -7.101 354 HE2 PHE 63 2HE PHE 63 3.543 5.305 -3.942 355 HZ PHE 63 HZ PHE 63 3.069 7.321 -5.279 356 H GLY 64 H GLY 64 -0.064 1.683 -3.471 357 HA2 GLY 64 1HA GLY 64 0.253 4.037 -1.733 358 HA3 GLY 64 2HA GLY 64 -0.894 2.840 -1.160 359 H PHE 65 H PHE 65 0.457 2.549 0.662 360 HA PHE 65 HA PHE 65 2.587 0.529 0.302 361 HB2 PHE 65 1HB PHE 65 2.971 3.200 1.700 362 HB3 PHE 65 2HB PHE 65 3.941 1.803 2.080 363 HD1 PHE 65 1HD PHE 65 3.209 4.334 -0.562 364 HD2 PHE 65 2HD PHE 65 5.695 1.011 0.658 365 HE1 PHE 65 1HE PHE 65 4.889 4.946 -2.259 366 HE2 PHE 65 2HE PHE 65 7.365 1.643 -1.058 367 HZ PHE 65 HZ PHE 65 6.965 3.636 -2.508 368 H VAL 66 H VAL 66 2.884 -0.796 2.110 369 HA VAL 66 HA VAL 66 1.378 -0.232 4.608 370 HB VAL 66 HB VAL 66 1.042 -2.817 3.034 371 HG11 VAL 66 1HG1 VAL 66 1.288 -3.433 5.401 372 HG12 VAL 66 2HG1 VAL 66 0.107 -2.185 5.865 373 HG13 VAL 66 3HG1 VAL 66 -0.395 -3.597 4.912 374 HG21 VAL 66 3HG2 VAL 66 -1.381 -2.299 3.207 375 HG22 VAL 66 1HG2 VAL 66 -1.003 -0.772 4.024 376 HG23 VAL 66 2HG2 VAL 66 -0.521 -1.035 2.337 377 H THR 67 H THR 67 2.405 -0.887 6.402 378 HA THR 67 HA THR 67 4.838 -2.633 6.198 379 HB THR 67 HB THR 67 4.388 -0.492 8.311 380 HG1 THR 67 1HG THR 67 4.682 0.496 6.311 381 HG21 THR 67 3HG2 THR 67 6.823 -0.786 8.676 382 HG22 THR 67 1HG2 THR 67 5.942 -2.294 8.970 383 HG23 THR 67 2HG2 THR 67 6.852 -2.082 7.463 384 H PHE 68 H PHE 68 4.820 -4.375 7.528 385 HA PHE 68 HA PHE 68 2.331 -4.875 9.068 386 HB2 PHE 68 1HB PHE 68 4.518 -6.685 8.015 387 HB3 PHE 68 2HB PHE 68 3.193 -7.232 9.033 388 HD1 PHE 68 2HD PHE 68 4.011 -5.762 5.702 389 HD2 PHE 68 1HD PHE 68 0.952 -7.511 8.188 390 HE1 PHE 68 2HE PHE 68 2.533 -5.988 3.725 391 HE2 PHE 68 1HE PHE 68 -0.517 -7.749 6.206 392 HZ PHE 68 HZ PHE 68 0.274 -6.980 3.972 393 H MET 69 H MET 69 2.312 -5.709 11.190 394 HA MET 69 HA MET 69 4.320 -4.711 13.022 395 HB2 MET 69 1HB MET 69 2.031 -6.675 13.415 396 HB3 MET 69 2HB MET 69 3.023 -6.023 14.720 397 HG2 MET 69 1HG MET 69 1.292 -4.391 12.830 398 HG3 MET 69 2HG MET 69 0.881 -4.812 14.482 399 HE1 MET 69 3HE MET 69 3.113 -2.496 16.615 400 HE2 MET 69 1HE MET 69 1.710 -3.584 16.581 401 HE3 MET 69 2HE MET 69 3.348 -4.228 16.290 402 H ASP 70 H ASP 70 4.253 -7.557 11.128 403 HA ASP 70 HA ASP 70 6.874 -8.307 12.114 404 HB2 ASP 70 1HB ASP 70 5.209 -9.616 13.578 405 HB3 ASP 70 2HB ASP 70 4.740 -10.466 12.100 406 H GLN 71 H GLN 71 7.972 -9.710 10.646 407 HA GLN 71 HA GLN 71 7.461 -9.275 7.867 408 HB2 GLN 71 1HB GLN 71 9.670 -9.680 9.051 409 HB3 GLN 71 2HB GLN 71 9.194 -11.360 9.250 410 HG2 GLN 71 1HG GLN 71 10.725 -11.141 7.365 411 HG3 GLN 71 2HG GLN 71 9.153 -11.642 6.772 412 HE21 GLN 71 2HE2 GLN 71 10.192 -10.827 4.670 413 HE22 GLN 71 1HE2 GLN 71 10.023 -9.114 4.327 414 H ALA 72 H ALA 72 6.397 -11.845 10.049 415 HA ALA 72 HA ALA 72 5.830 -13.890 8.198 416 HB1 ALA 72 1HB ALA 72 5.775 -14.134 10.660 417 HB2 ALA 72 2HB ALA 72 4.321 -13.106 10.733 418 HB3 ALA 72 3HB ALA 72 4.257 -14.687 9.925 419 H GLY 73 H GLY 73 4.047 -10.867 8.630 420 HA2 GLY 73 1HA GLY 73 1.745 -11.801 7.047 421 HA3 GLY 73 2HA GLY 73 2.071 -10.133 7.555 422 H VAL 74 H VAL 74 4.798 -10.151 6.418 423 HA VAL 74 HA VAL 74 4.193 -9.351 3.682 424 HB VAL 74 HB VAL 74 6.847 -9.754 5.120 425 HG11 VAL 74 1HG1 VAL 74 7.347 -10.169 2.814 426 HG12 VAL 74 2HG1 VAL 74 6.381 -8.780 2.280 427 HG13 VAL 74 3HG1 VAL 74 7.883 -8.533 3.193 428 HG21 VAL 74 3HG2 VAL 74 6.959 -7.282 4.962 429 HG22 VAL 74 1HG2 VAL 74 5.324 -7.262 4.289 430 HG23 VAL 74 2HG2 VAL 74 5.602 -7.841 5.948 431 H ASP 75 H ASP 75 5.877 -12.151 5.204 432 HA ASP 75 HA ASP 75 6.568 -13.619 2.952 433 HB2 ASP 75 1HB ASP 75 7.079 -14.135 5.365 434 HB3 ASP 75 2HB ASP 75 5.435 -14.712 5.565 435 H LYS 76 H LYS 76 3.382 -13.703 4.620 436 HA LYS 76 HA LYS 76 2.179 -15.644 2.884 437 HB2 LYS 76 1HB LYS 76 0.944 -13.413 4.540 438 HB3 LYS 76 2HB LYS 76 0.060 -14.772 3.811 439 HG2 LYS 76 1HG LYS 76 1.052 -16.377 5.244 440 HG3 LYS 76 2HG LYS 76 2.276 -15.236 5.824 441 HD2 LYS 76 1HD LYS 76 0.439 -13.792 6.751 442 HD3 LYS 76 2HD LYS 76 -0.748 -15.019 6.257 443 HE2 LYS 76 1HE LYS 76 0.363 -16.668 7.725 444 HE3 LYS 76 2HE LYS 76 1.579 -15.453 8.171 445 HZ1 LYS 76 3HZ LYS 76 -0.115 -15.530 9.863 446 HZ2 LYS 76 1HZ LYS 76 -0.272 -14.098 9.075 447 HZ3 LYS 76 2HZ LYS 76 -1.321 -15.318 8.782 448 H VAL 77 H VAL 77 2.338 -12.094 2.654 449 HA VAL 77 HA VAL 77 0.416 -11.905 0.503 450 HB VAL 77 HB VAL 77 2.496 -9.924 1.476 451 HG11 VAL 77 1HG1 VAL 77 1.948 -9.325 -0.861 452 HG12 VAL 77 2HG1 VAL 77 0.214 -9.433 -0.487 453 HG13 VAL 77 3HG1 VAL 77 1.220 -8.180 0.267 454 HG21 VAL 77 3HG2 VAL 77 0.567 -8.819 2.526 455 HG22 VAL 77 1HG2 VAL 77 -0.558 -9.969 1.776 456 HG23 VAL 77 2HG2 VAL 77 0.551 -10.513 3.032 457 H LEU 78 H LEU 78 3.966 -12.324 0.574 458 HA LEU 78 HA LEU 78 4.295 -12.109 -2.316 459 HB2 LEU 78 1HB LEU 78 5.994 -13.487 -0.207 460 HB3 LEU 78 2HB LEU 78 6.524 -13.037 -1.824 461 HG LEU 78 HG LEU 78 5.623 -11.008 0.273 462 HD11 LEU 78 1HD1 LEU 78 7.478 -12.307 1.081 463 HD12 LEU 78 2HD1 LEU 78 8.374 -12.084 -0.438 464 HD13 LEU 78 3HD1 LEU 78 8.070 -10.685 0.627 465 HD21 LEU 78 3HD2 LEU 78 6.840 -9.394 -1.135 466 HD22 LEU 78 1HD2 LEU 78 7.127 -10.661 -2.349 467 HD23 LEU 78 2HD2 LEU 78 5.467 -10.117 -1.982 468 H ALA 79 H ALA 79 3.867 -14.797 -0.023 469 HA ALA 79 HA ALA 79 4.276 -16.866 -1.902 470 HB1 ALA 79 1HB ALA 79 4.526 -17.117 0.535 471 HB2 ALA 79 2HB ALA 79 2.772 -16.906 0.752 472 HB3 ALA 79 3HB ALA 79 3.401 -18.326 -0.106 473 H GLN 80 H GLN 80 1.434 -14.918 -1.549 474 HA GLN 80 HA GLN 80 -0.357 -16.940 -2.773 475 HB2 GLN 80 1HB GLN 80 -1.117 -15.672 -0.812 476 HB3 GLN 80 2HB GLN 80 -0.906 -14.151 -1.686 477 HG2 GLN 80 1HG GLN 80 -2.636 -14.785 -3.298 478 HG3 GLN 80 2HG GLN 80 -2.770 -16.395 -2.592 479 HE21 GLN 80 2HE2 GLN 80 -4.397 -13.528 -2.735 480 HE22 GLN 80 1HE2 GLN 80 -5.224 -13.635 -1.178 481 H SER 81 H SER 81 -1.072 -16.861 -4.867 482 HA SER 81 HA SER 81 0.558 -15.414 -6.711 483 HB2 SER 81 1HB SER 81 -1.875 -17.135 -7.278 484 HB3 SER 81 2HB SER 81 -0.559 -16.739 -8.395 485 HG SER 81 HG SER 81 -0.293 -18.829 -7.457 486 H ARG 82 H ARG 82 -2.384 -14.345 -5.355 487 HA ARG 82 HA ARG 82 -2.623 -12.114 -7.192 488 HB2 ARG 82 1HB ARG 82 -3.764 -13.867 -8.525 489 HB3 ARG 82 2HB ARG 82 -4.862 -14.194 -7.177 490 HG2 ARG 82 1HG ARG 82 -5.814 -11.945 -7.353 491 HG3 ARG 82 2HG ARG 82 -4.600 -11.490 -8.563 492 HD2 ARG 82 1HD ARG 82 -5.570 -13.098 -10.149 493 HD3 ARG 82 2HD ARG 82 -6.744 -13.625 -8.939 494 HE ARG 82 HE ARG 82 -6.700 -11.061 -10.424 495 HH11 ARG 82 1HH1 ARG 82 -8.408 -12.891 -7.865 496 HH12 ARG 82 2HH1 ARG 82 -9.671 -11.663 -7.824 497 HH21 ARG 82 1HH2 ARG 82 -8.369 -9.559 -10.127 498 HH22 ARG 82 2HH2 ARG 82 -9.685 -9.994 -9.031 499 H HIS 83 H HIS 83 -3.919 -10.458 -6.412 500 HA HIS 83 HA HIS 83 -5.437 -10.803 -3.886 501 HB2 HIS 83 1HB HIS 83 -3.235 -8.768 -4.412 502 HB3 HIS 83 2HB HIS 83 -4.374 -8.668 -3.065 503 HD1 HIS 83 1HD HIS 83 -4.102 -10.634 -1.155 504 HD2 HIS 83 2HD HIS 83 -1.166 -10.407 -4.155 505 HE1 HIS 83 1HE HIS 83 -2.106 -12.008 -0.322 506 H GLU 84 H GLU 84 -7.040 -9.091 -3.563 507 HA GLU 84 HA GLU 84 -7.690 -7.338 -5.845 508 HB2 GLU 84 1HB GLU 84 -8.559 -9.632 -6.418 509 HB3 GLU 84 2HB GLU 84 -9.568 -9.565 -4.968 510 HG2 GLU 84 1HG GLU 84 -10.612 -7.438 -5.923 511 HG3 GLU 84 2HG GLU 84 -9.700 -7.740 -7.406 512 H LEU 85 H LEU 85 -8.651 -5.548 -5.175 513 HA LEU 85 HA LEU 85 -10.260 -5.386 -2.723 514 HB2 LEU 85 1HB LEU 85 -7.972 -5.219 -1.855 515 HB3 LEU 85 2HB LEU 85 -7.574 -3.996 -3.067 516 HG LEU 85 HG LEU 85 -9.144 -2.411 -2.002 517 HD11 LEU 85 1HD1 LEU 85 -10.799 -3.871 -0.971 518 HD12 LEU 85 2HD1 LEU 85 -9.556 -4.662 0.015 519 HD13 LEU 85 3HD1 LEU 85 -9.991 -2.970 0.320 520 HD21 LEU 85 3HD2 LEU 85 -7.790 -2.014 0.015 521 HD22 LEU 85 1HD2 LEU 85 -7.104 -3.648 -0.107 522 HD23 LEU 85 2HD2 LEU 85 -6.774 -2.446 -1.373 523 H ASP 86 H ASP 86 -11.804 -3.872 -2.956 524 HA ASP 86 HA ASP 86 -13.259 -2.489 -3.994 525 HB2 ASP 86 1HB ASP 86 -10.748 -0.953 -4.746 526 HB3 ASP 86 2HB ASP 86 -12.393 -0.337 -4.863 527 H SER 87 H SER 87 -12.743 -4.778 -5.397 528 HA SER 87 HA SER 87 -13.209 -5.837 -7.346 529 HB2 SER 87 1HB SER 87 -14.331 -3.174 -8.278 530 HB3 SER 87 2HB SER 87 -14.647 -4.766 -8.977 531 HG SER 87 HG SER 87 -16.310 -4.098 -7.515 532 H LYS 88 H LYS 88 -10.556 -4.470 -7.076 533 HA LYS 88 HA LYS 88 -9.687 -4.541 -9.937 534 HB2 LYS 88 1HB LYS 88 -9.278 -2.461 -7.781 535 HB3 LYS 88 2HB LYS 88 -7.933 -2.786 -8.855 536 HG2 LYS 88 1HG LYS 88 -10.677 -2.192 -10.011 537 HG3 LYS 88 2HG LYS 88 -9.618 -0.887 -9.455 538 HD2 LYS 88 1HD LYS 88 -7.841 -1.557 -10.947 539 HD3 LYS 88 2HD LYS 88 -8.737 -2.989 -11.485 540 HE2 LYS 88 1HE LYS 88 -10.404 -1.663 -12.596 541 HE3 LYS 88 2HE LYS 88 -9.852 -0.180 -11.828 542 HZ1 LYS 88 3HZ LYS 88 -8.971 -0.250 -14.057 543 HZ2 LYS 88 1HZ LYS 88 -7.691 -0.523 -13.062 544 HZ3 LYS 88 2HZ LYS 88 -8.372 -1.759 -13.862 545 H THR 89 H THR 89 -7.961 -5.818 -10.322 546 HA THR 89 HA THR 89 -6.806 -7.548 -8.314 547 HB THR 89 HB THR 89 -5.733 -6.882 -11.090 548 HG1 THR 89 1HG THR 89 -7.078 -8.393 -11.845 549 HG21 THR 89 3HG2 THR 89 -4.852 -9.226 -10.933 550 HG22 THR 89 1HG2 THR 89 -4.144 -8.156 -9.714 551 HG23 THR 89 2HG2 THR 89 -5.419 -9.297 -9.245 552 H ILE 90 H ILE 90 -5.292 -6.966 -6.841 553 HA ILE 90 HA ILE 90 -3.649 -4.525 -7.395 554 HB ILE 90 HB ILE 90 -3.335 -4.208 -5.083 555 HG12 ILE 90 1HG1 ILE 90 -4.939 -6.702 -4.484 556 HG13 ILE 90 2HG1 ILE 90 -3.182 -6.518 -4.322 557 HG21 ILE 90 1HG2 ILE 90 -5.476 -3.402 -6.178 558 HG22 ILE 90 2HG2 ILE 90 -6.300 -4.828 -5.513 559 HG23 ILE 90 3HG2 ILE 90 -5.624 -3.617 -4.432 560 HD11 ILE 90 3HD1 ILE 90 -4.053 -6.205 -2.154 561 HD12 ILE 90 1HD1 ILE 90 -3.610 -4.583 -2.745 562 HD13 ILE 90 2HD1 ILE 90 -5.315 -5.099 -2.724 563 H ASP 91 H ASP 91 -1.469 -4.486 -6.757 564 HA ASP 91 HA ASP 91 -0.050 -7.109 -7.053 565 HB2 ASP 91 1HB ASP 91 -0.289 -5.973 -9.205 566 HB3 ASP 91 2HB ASP 91 0.432 -4.512 -8.527 567 HA PRO 92 HA PRO 92 1.875 -4.818 -3.591 568 HB2 PRO 92 1HB PRO 92 1.533 -6.684 -1.604 569 HB3 PRO 92 2HB PRO 92 0.337 -5.443 -2.052 570 HG2 PRO 92 1HG PRO 92 0.222 -8.356 -2.597 571 HG3 PRO 92 2HG PRO 92 -1.099 -7.135 -2.543 572 HD2 PRO 92 1HD PRO 92 0.243 -8.216 -4.851 573 HD3 PRO 92 2HD PRO 92 -1.066 -7.016 -4.766 574 H LYS 93 H LYS 93 3.960 -4.922 -3.009 575 HA LYS 93 HA LYS 93 5.628 -7.330 -3.365 576 HB2 LYS 93 1HB LYS 93 6.939 -6.358 -5.179 577 HB3 LYS 93 2HB LYS 93 5.243 -6.425 -5.643 578 HG2 LYS 93 1HG LYS 93 5.113 -3.953 -4.826 579 HG3 LYS 93 2HG LYS 93 6.871 -3.994 -4.777 580 HD2 LYS 93 1HD LYS 93 6.180 -2.984 -6.844 581 HD3 LYS 93 2HD LYS 93 6.884 -4.569 -7.223 582 HE2 LYS 93 1HE LYS 93 4.631 -5.547 -7.431 583 HE3 LYS 93 2HE LYS 93 3.885 -4.037 -6.906 584 HZ1 LYS 93 3HZ LYS 93 3.876 -4.403 -9.325 585 HZ2 LYS 93 1HZ LYS 93 4.589 -2.990 -8.923 586 HZ3 LYS 93 2HZ LYS 93 5.509 -4.283 -9.375 587 H VAL 94 H VAL 94 7.965 -6.847 -2.873 588 HA VAL 94 HA VAL 94 8.156 -5.519 -0.342 589 HB VAL 94 HB VAL 94 10.408 -6.428 -2.179 590 HG11 VAL 94 1HG1 VAL 94 11.305 -4.844 -0.534 591 HG12 VAL 94 2HG1 VAL 94 10.449 -5.678 0.784 592 HG13 VAL 94 3HG1 VAL 94 11.778 -6.480 -0.080 593 HG21 VAL 94 3HG2 VAL 94 10.485 -8.403 -0.645 594 HG22 VAL 94 1HG2 VAL 94 9.026 -7.803 0.175 595 HG23 VAL 94 2HG2 VAL 94 8.965 -8.305 -1.531 596 H ALA 95 H ALA 95 8.748 -3.511 0.265 597 HA ALA 95 HA ALA 95 8.743 -1.393 -1.743 598 HB1 ALA 95 1HB ALA 95 7.541 -1.167 0.396 599 HB2 ALA 95 2HB ALA 95 9.066 -1.350 1.290 600 HB3 ALA 95 3HB ALA 95 8.801 0.073 0.262 601 H PHE 96 H PHE 96 10.429 -0.139 -2.450 602 HA PHE 96 HA PHE 96 13.149 -0.846 -2.144 603 HB2 PHE 96 1HB PHE 96 12.030 1.911 -2.734 604 HB3 PHE 96 2HB PHE 96 13.657 1.353 -3.079 605 HD1 PHE 96 1HD PHE 96 12.674 -1.479 -4.231 606 HD2 PHE 96 2HD PHE 96 11.641 2.647 -4.989 607 HE1 PHE 96 1HE PHE 96 11.977 -2.068 -6.526 608 HE2 PHE 96 2HE PHE 96 10.952 2.046 -7.290 609 HZ PHE 96 HZ PHE 96 11.111 -0.314 -8.064 610 HA PRO 97 HA PRO 97 13.540 0.341 2.085 611 HB2 PRO 97 1HB PRO 97 16.207 -0.043 2.541 612 HB3 PRO 97 2HB PRO 97 15.072 -1.386 2.202 613 HG2 PRO 97 1HG PRO 97 16.885 0.054 0.237 614 HG3 PRO 97 2HG PRO 97 16.706 -1.715 0.482 615 HD2 PRO 97 1HD PRO 97 15.355 -0.407 -1.486 616 HD3 PRO 97 2HD PRO 97 14.588 -1.739 -0.568 617 H ARG 98 H ARG 98 13.809 2.095 3.285 618 HA ARG 98 HA ARG 98 15.584 4.335 2.469 619 HB2 ARG 98 1HB ARG 98 12.591 4.497 3.044 620 HB3 ARG 98 2HB ARG 98 13.643 5.896 2.887 621 HG2 ARG 98 1HG ARG 98 13.079 3.896 0.657 622 HG3 ARG 98 2HG ARG 98 12.313 5.463 0.854 623 HD2 ARG 98 1HD ARG 98 14.495 6.596 0.634 624 HD3 ARG 98 2HD ARG 98 15.298 5.049 0.404 625 HE ARG 98 HE ARG 98 13.533 6.475 -1.485 626 HH11 ARG 98 1HH1 ARG 98 15.319 3.464 -0.912 627 HH12 ARG 98 2HH1 ARG 98 15.420 3.109 -2.614 628 HH21 ARG 98 1HH2 ARG 98 13.639 5.906 -3.644 629 HH22 ARG 98 2HH2 ARG 98 14.418 4.432 -4.126 630 H ARG 99 H ARG 99 15.490 2.276 4.693 631 HA ARG 99 HA ARG 99 14.853 3.603 7.169 632 HB2 ARG 99 1HB ARG 99 14.844 1.140 6.831 633 HB3 ARG 99 2HB ARG 99 16.585 1.169 6.593 634 HG2 ARG 99 1HG ARG 99 16.157 0.363 8.770 635 HG3 ARG 99 2HG ARG 99 16.876 1.950 8.969 636 HD2 ARG 99 1HD ARG 99 13.861 1.506 9.035 637 HD3 ARG 99 2HD ARG 99 14.867 1.235 10.452 638 HE ARG 99 HE ARG 99 15.601 3.589 10.356 639 HH11 ARG 99 1HH1 ARG 99 12.426 2.811 8.970 640 HH12 ARG 99 2HH1 ARG 99 11.845 4.429 9.221 641 HH21 ARG 99 1HH2 ARG 99 14.821 5.612 10.588 642 HH22 ARG 99 2HH2 ARG 99 13.176 5.998 10.147 643 H ALA 100 H ALA 100 16.034 4.842 8.445 644 HA ALA 100 HA ALA 100 18.979 4.872 8.434 645 HB1 ALA 100 1HB ALA 100 18.357 6.628 6.791 646 HB2 ALA 100 2HB ALA 100 17.295 7.389 7.997 647 HB3 ALA 100 3HB ALA 100 19.053 7.348 8.253 648 H GLN 101 H GLN 101 19.843 6.004 10.362 649 HA GLN 101 HA GLN 101 18.119 6.501 12.638 650 HB2 GLN 101 1HB GLN 101 18.887 4.665 13.915 651 HB3 GLN 101 2HB GLN 101 18.204 3.994 12.454 652 HG2 GLN 101 1HG GLN 101 21.172 4.261 13.150 653 HG3 GLN 101 2HG GLN 101 20.218 2.793 13.181 654 HE21 GLN 101 2HE2 GLN 101 21.985 5.010 11.101 655 HE22 GLN 101 1HE2 GLN 101 21.862 3.995 9.661 656 HA PRO 102 HA PRO 102 21.841 8.798 13.715 657 HB2 PRO 102 1HB PRO 102 21.586 9.120 16.419 658 HB3 PRO 102 2HB PRO 102 20.549 9.972 15.234 659 HG2 PRO 102 1HG PRO 102 19.921 7.429 16.766 660 HG3 PRO 102 2HG PRO 102 18.893 8.882 16.563 661 HD2 PRO 102 1HD PRO 102 18.599 6.669 15.002 662 HD3 PRO 102 2HD PRO 102 18.364 8.313 14.337 663 H LYS 103 H LYS 103 23.915 8.285 14.199 664 HA LYS 103 HA LYS 103 24.741 6.115 15.958 665 HB2 LYS 103 1HB LYS 103 23.945 4.890 13.925 666 HB3 LYS 103 2HB LYS 103 25.107 5.801 12.950 667 HG2 LYS 103 1HG LYS 103 26.980 4.799 14.227 668 HG3 LYS 103 2HG LYS 103 25.831 4.006 15.313 669 HD2 LYS 103 1HD LYS 103 26.680 2.391 13.736 670 HD3 LYS 103 2HD LYS 103 24.961 2.661 13.414 671 HE2 LYS 103 1HE LYS 103 25.543 4.171 11.533 672 HE3 LYS 103 2HE LYS 103 27.263 3.970 11.891 673 HZ1 LYS 103 3HZ LYS 103 26.553 2.500 10.093 674 HZ2 LYS 103 1HZ LYS 103 27.030 1.602 11.367 675 HZ3 LYS 103 2HZ LYS 103 25.438 1.782 11.043 676 H5' G 104 H5' G 104 -3.945 -0.731 -11.888 677 H5'' G 104 H5" G 104 -5.412 0.031 -11.248 678 H4' G 104 H4' G 104 -4.125 0.622 -13.958 679 H3' G 104 H3' G 104 -3.189 1.553 -11.550 680 H2' G 104 H2' G 104 -5.156 2.427 -10.690 681 HO2' G 104 HO2 G 104 -3.799 4.369 -12.157 682 H1' G 104 H1' G 104 -6.006 3.563 -13.363 683 H8 G 104 8H G 104 -7.145 2.703 -9.934 684 H1 G 104 1H G 104 -11.984 3.212 -14.154 685 H21 G 104 1H2 G 104 -11.123 3.210 -16.242 686 H22 G 104 2H2 G 104 -9.389 3.061 -16.461 687 HO5' G 104 H5T G 104 -5.163 -1.695 -13.524 688 H5' U 105 H5' U 105 -1.625 2.996 -10.709 689 H5'' U 105 H5" U 105 -0.449 3.970 -11.595 690 H4' U 105 H4' U 105 0.402 3.255 -9.411 691 H3' U 105 H3' U 105 1.846 3.211 -11.739 692 H2' U 105 H2' U 105 1.463 0.940 -12.222 693 HO2' U 105 HO2 U 105 3.935 1.400 -11.302 694 H1' U 105 H1' U 105 1.938 0.232 -9.329 695 H3 U 105 3H U 105 1.606 -4.125 -10.616 696 H5 U 105 5H U 105 -1.704 -2.349 -12.463 697 H6 U 105 6H U 105 -0.980 -0.187 -11.595 698 H5' A 106 H5' A 106 3.629 4.395 -7.423 699 H5'' A 106 H5" A 106 3.888 5.772 -8.487 700 H4' A 106 H4' A 106 4.954 6.253 -6.437 701 H3' A 106 H3' A 106 6.350 6.428 -8.795 702 H2' A 106 H2' A 106 7.359 4.304 -8.684 703 HO2' A 106 HO2 A 106 9.045 6.238 -7.554 704 H1' A 106 H1' A 106 7.955 4.634 -5.744 705 H8 A 106 8H A 106 6.801 2.114 -8.490 706 H61 A 106 1H6 A 106 8.943 -2.053 -4.295 707 H62 A 106 2H6 A 106 8.329 -1.924 -5.943 708 H2 A 106 2H A 106 9.238 1.856 -2.534 709 H5' G 107 H5' G 107 7.833 8.472 -4.377 710 H5'' G 107 H5" G 107 7.117 6.872 -4.164 711 H4' G 107 H4' G 107 5.637 9.128 -2.873 712 H3' G 107 H3' G 107 8.414 8.282 -1.995 713 H2' G 107 H2' G 107 7.652 8.695 0.236 714 HO2' G 107 HO2 G 107 6.505 10.744 -0.548 715 H1' G 107 H1' G 107 4.998 7.849 -0.234 716 H8 G 107 8H G 107 5.062 6.421 1.835 717 H1 G 107 1H G 107 10.512 3.437 0.119 718 H21 G 107 1H2 G 107 11.252 4.326 -1.814 719 H22 G 107 2H2 G 107 10.344 5.619 -2.580 720 H5' U 108 H5' U 108 10.511 11.987 0.692 721 H5'' U 108 H5" U 108 11.594 11.012 -0.300 722 H4' U 108 H4' U 108 12.076 10.577 1.992 723 H3' U 108 H3' U 108 11.454 8.473 0.231 724 HO3' U 108 H3T U 108 13.332 8.649 1.612 725 H2' U 108 H2' U 108 9.322 8.067 1.154 726 HO2' U 108 HO2 U 108 11.247 6.606 2.597 727 H1' U 108 H1' U 108 10.482 8.655 3.893 728 H3 U 108 3H U 108 6.521 7.555 5.853 729 H5 U 108 5H U 108 5.372 10.088 2.724 730 H6 U 108 6H U 108 7.692 10.152 1.969 Start of MODEL 11 1 H CYS 20 1H CYS 20 10.491 -4.586 6.775 2 HA CYS 20 HA CYS 20 8.985 -6.442 6.472 3 HB2 CYS 20 1HB CYS 20 7.703 -5.475 9.077 4 HB3 CYS 20 2HB CYS 20 7.132 -6.786 8.065 5 HG CYS 20 HG CYS 20 9.322 -8.260 8.255 6 H LYS 21 H LYS 21 8.809 -4.812 4.655 7 HA LYS 21 HA LYS 21 6.304 -3.240 4.841 8 HB2 LYS 21 1HB LYS 21 8.149 -1.792 5.684 9 HB3 LYS 21 2HB LYS 21 8.994 -1.981 4.147 10 HG2 LYS 21 1HG LYS 21 7.174 -0.823 2.962 11 HG3 LYS 21 2HG LYS 21 6.189 -0.797 4.426 12 HD2 LYS 21 1HD LYS 21 7.817 0.660 5.537 13 HD3 LYS 21 2HD LYS 21 8.877 0.630 4.122 14 HE2 LYS 21 1HE LYS 21 5.961 1.457 3.849 15 HE3 LYS 21 2HE LYS 21 7.116 2.600 4.503 16 HZ1 LYS 21 3HZ LYS 21 6.922 2.871 2.120 17 HZ2 LYS 21 1HZ LYS 21 8.442 2.437 2.497 18 HZ3 LYS 21 2HZ LYS 21 7.428 1.328 1.856 19 H MET 22 H MET 22 5.317 -2.707 2.972 20 HA MET 22 HA MET 22 6.363 -3.824 0.418 21 HB2 MET 22 1HB MET 22 3.599 -4.320 1.603 22 HB3 MET 22 2HB MET 22 4.158 -4.831 0.004 23 HG2 MET 22 1HG MET 22 6.022 -6.119 1.184 24 HG3 MET 22 2HG MET 22 5.228 -5.727 2.702 25 HE1 MET 22 3HE MET 22 4.028 -8.777 -0.469 26 HE2 MET 22 1HE MET 22 3.952 -7.057 -0.913 27 HE3 MET 22 2HE MET 22 5.486 -7.778 -0.366 28 H PHE 23 H PHE 23 5.888 -2.794 -1.335 29 HA PHE 23 HA PHE 23 4.406 -0.213 -1.355 30 HB2 PHE 23 1HB PHE 23 6.486 -0.079 -2.507 31 HB3 PHE 23 2HB PHE 23 6.303 -1.673 -3.222 32 HD1 PHE 23 2HD PHE 23 4.749 1.768 -3.288 33 HD2 PHE 23 1HD PHE 23 5.455 -1.922 -5.390 34 HE1 PHE 23 2HE PHE 23 3.782 2.731 -5.360 35 HE2 PHE 23 1HE PHE 23 4.465 -0.948 -7.448 36 HZ PHE 23 HZ PHE 23 3.622 1.393 -7.425 37 H ILE 24 H ILE 24 2.397 -0.104 -2.236 38 HA ILE 24 HA ILE 24 1.153 -2.687 -3.143 39 HB ILE 24 HB ILE 24 -0.301 -0.394 -1.809 40 HG12 ILE 24 1HG1 ILE 24 1.256 -1.030 -0.113 41 HG13 ILE 24 2HG1 ILE 24 -0.350 -1.602 0.281 42 HG21 ILE 24 1HG2 ILE 24 -1.595 -2.025 -3.161 43 HG22 ILE 24 2HG2 ILE 24 -0.995 -3.343 -2.149 44 HG23 ILE 24 3HG2 ILE 24 -2.015 -2.077 -1.442 45 HD11 ILE 24 3HD1 ILE 24 1.431 -3.214 0.882 46 HD12 ILE 24 1HD1 ILE 24 0.278 -3.905 -0.260 47 HD13 ILE 24 2HD1 ILE 24 1.879 -3.375 -0.820 48 H GLY 25 H GLY 25 1.429 -2.449 -5.345 49 HA2 GLY 25 1HA GLY 25 0.540 0.038 -6.706 50 HA3 GLY 25 2HA GLY 25 1.362 -1.357 -7.431 51 H GLY 26 H GLY 26 -0.820 -0.111 -8.615 52 HA2 GLY 26 1HA GLY 26 -2.515 -0.898 -9.965 53 HA3 GLY 26 2HA GLY 26 -2.389 -2.490 -9.188 54 H LEU 27 H LEU 27 -2.993 0.278 -7.149 55 HA LEU 27 HA LEU 27 -5.459 -0.849 -6.124 56 HB2 LEU 27 1HB LEU 27 -4.212 1.905 -5.726 57 HB3 LEU 27 2HB LEU 27 -5.550 1.261 -4.805 58 HG LEU 27 HG LEU 27 -2.703 0.183 -4.766 59 HD11 LEU 27 1HD1 LEU 27 -3.140 2.365 -3.604 60 HD12 LEU 27 2HD1 LEU 27 -4.391 1.580 -2.640 61 HD13 LEU 27 3HD1 LEU 27 -2.694 1.062 -2.485 62 HD21 LEU 27 3HD2 LEU 27 -3.732 -1.148 -2.768 63 HD22 LEU 27 1HD2 LEU 27 -5.269 -0.913 -3.614 64 HD23 LEU 27 2HD2 LEU 27 -3.913 -1.735 -4.421 65 H SER 28 H SER 28 -7.452 0.469 -5.863 66 HA SER 28 HA SER 28 -8.444 1.530 -8.456 67 HB2 SER 28 1HB SER 28 -9.875 0.024 -7.087 68 HB3 SER 28 2HB SER 28 -9.777 1.165 -5.744 69 HG SER 28 HG SER 28 -11.679 1.398 -6.938 70 H TRP 29 H TRP 29 -9.115 3.732 -8.692 71 HA TRP 29 HA TRP 29 -7.860 5.789 -7.160 72 HB2 TRP 29 1HB TRP 29 -10.304 5.808 -8.940 73 HB3 TRP 29 2HB TRP 29 -9.570 7.252 -8.257 74 HD1 TRP 29 HD TRP 29 -6.529 5.775 -8.985 75 HE1 TRP 29 1HE TRP 29 -5.666 6.136 -11.340 76 HE3 TRP 29 3HE TRP 29 -10.933 7.100 -11.241 77 HZ2 TRP 29 2HZ TRP 29 -6.715 7.054 -13.891 78 HZ3 TRP 29 3HZ TRP 29 -10.978 7.654 -13.658 79 HH2 TRP 29 HH TRP 29 -8.875 7.656 -14.989 80 H GLN 30 H GLN 30 -10.601 3.864 -6.383 81 HA GLN 30 HA GLN 30 -11.625 5.739 -4.321 82 HB2 GLN 30 1HB GLN 30 -13.156 4.650 -5.891 83 HB3 GLN 30 2HB GLN 30 -12.594 3.062 -5.380 84 HG2 GLN 30 1HG GLN 30 -13.612 3.316 -3.197 85 HG3 GLN 30 2HG GLN 30 -13.968 5.024 -3.509 86 HE21 GLN 30 2HE2 GLN 30 -14.822 1.650 -4.497 87 HE22 GLN 30 1HE2 GLN 30 -16.399 2.116 -5.133 88 H THR 31 H THR 31 -9.185 3.316 -4.418 89 HA THR 31 HA THR 31 -9.656 2.077 -1.854 90 HB THR 31 HB THR 31 -7.035 2.429 -3.371 91 HG1 THR 31 1HG THR 31 -8.918 0.293 -3.352 92 HG21 THR 31 3HG2 THR 31 -6.471 0.279 -2.144 93 HG22 THR 31 1HG2 THR 31 -6.560 1.703 -1.108 94 HG23 THR 31 2HG2 THR 31 -7.903 0.536 -1.134 95 H THR 32 H THR 32 -8.981 2.603 0.152 96 HA THR 32 HA THR 32 -7.434 5.116 0.622 97 HB THR 32 HB THR 32 -8.709 5.459 2.668 98 HG1 THR 32 1HG THR 32 -10.582 4.085 2.979 99 HG21 THR 32 3HG2 THR 32 -10.854 6.112 1.774 100 HG22 THR 32 1HG2 THR 32 -9.623 6.423 0.537 101 HG23 THR 32 2HG2 THR 32 -10.690 5.007 0.394 102 H GLN 33 H GLN 33 -6.249 5.093 2.695 103 HA GLN 33 HA GLN 33 -4.749 2.650 3.028 104 HB2 GLN 33 1HB GLN 33 -3.575 3.899 4.827 105 HB3 GLN 33 2HB GLN 33 -3.604 4.639 3.238 106 HG2 GLN 33 1HG GLN 33 -5.488 6.146 4.045 107 HG3 GLN 33 2HG GLN 33 -5.173 5.524 5.671 108 HE21 GLN 33 2HE2 GLN 33 -3.827 6.989 6.810 109 HE22 GLN 33 1HE2 GLN 33 -2.583 7.957 6.038 110 H GLU 34 H GLU 34 -7.574 3.859 4.698 111 HA GLU 34 HA GLU 34 -7.447 1.906 6.866 112 HB2 GLU 34 1HB GLU 34 -9.793 3.425 5.647 113 HB3 GLU 34 2HB GLU 34 -9.887 2.383 7.075 114 HG2 GLU 34 1HG GLU 34 -8.212 3.819 8.232 115 HG3 GLU 34 2HG GLU 34 -8.174 4.896 6.833 116 H GLY 35 H GLY 35 -8.776 1.964 3.535 117 HA2 GLY 35 1HA GLY 35 -9.932 -0.679 3.565 118 HA3 GLY 35 2HA GLY 35 -9.474 0.279 2.137 119 H LEU 36 H LEU 36 -6.641 0.546 2.762 120 HA LEU 36 HA LEU 36 -5.581 -2.009 2.026 121 HB2 LEU 36 1HB LEU 36 -4.068 0.248 3.443 122 HB3 LEU 36 2HB LEU 36 -3.367 -1.129 2.631 123 HG LEU 36 HG LEU 36 -4.764 1.224 1.340 124 HD11 LEU 36 1HD1 LEU 36 -2.384 1.484 1.991 125 HD12 LEU 36 2HD1 LEU 36 -1.973 0.051 1.026 126 HD13 LEU 36 3HD1 LEU 36 -2.594 1.504 0.230 127 HD21 LEU 36 3HD2 LEU 36 -4.322 0.108 -0.831 128 HD22 LEU 36 1HD2 LEU 36 -3.924 -1.389 0.038 129 HD23 LEU 36 2HD2 LEU 36 -5.562 -0.692 0.132 130 H ARG 37 H ARG 37 -5.567 -0.454 5.310 131 HA ARG 37 HA ARG 37 -4.538 -2.717 6.658 132 HB2 ARG 37 1HB ARG 37 -4.760 -0.567 7.749 133 HB3 ARG 37 2HB ARG 37 -6.510 -0.552 7.510 134 HG2 ARG 37 1HG ARG 37 -6.765 -2.478 9.054 135 HG3 ARG 37 2HG ARG 37 -5.006 -2.519 9.286 136 HD2 ARG 37 1HD ARG 37 -5.116 -0.215 10.204 137 HD3 ARG 37 2HD ARG 37 -6.843 -0.177 9.888 138 HE ARG 37 HE ARG 37 -7.288 -1.557 11.711 139 HH11 ARG 37 1HH1 ARG 37 -3.785 -1.345 11.374 140 HH12 ARG 37 2HH1 ARG 37 -3.547 -2.752 12.384 141 HH21 ARG 37 1HH2 ARG 37 -6.815 -3.159 13.288 142 HH22 ARG 37 2HH2 ARG 37 -5.141 -3.584 13.583 143 H GLU 38 H GLU 38 -7.924 -2.029 5.773 144 HA GLU 38 HA GLU 38 -9.138 -4.199 7.041 145 HB2 GLU 38 1HB GLU 38 -10.054 -2.135 5.539 146 HB3 GLU 38 2HB GLU 38 -10.171 -3.411 4.324 147 HG2 GLU 38 1HG GLU 38 -11.455 -4.776 6.004 148 HG3 GLU 38 2HG GLU 38 -11.329 -3.415 7.129 149 H TYR 39 H TYR 39 -7.459 -4.173 3.901 150 HA TYR 39 HA TYR 39 -8.111 -6.985 3.334 151 HB2 TYR 39 1HB TYR 39 -8.032 -5.231 1.592 152 HB3 TYR 39 2HB TYR 39 -6.313 -5.001 1.893 153 HD1 TYR 39 1HD TYR 39 -8.840 -7.637 1.017 154 HD2 TYR 39 2HD TYR 39 -4.740 -6.339 0.698 155 HE1 TYR 39 1HE TYR 39 -8.346 -9.579 -0.445 156 HE2 TYR 39 2HE TYR 39 -4.240 -8.268 -0.778 157 HH TYR 39 HH TYR 39 -6.751 -10.732 -1.583 158 H PHE 40 H PHE 40 -5.221 -5.092 4.250 159 HA PHE 40 HA PHE 40 -3.478 -7.389 4.066 160 HB2 PHE 40 1HB PHE 40 -3.111 -4.474 4.732 161 HB3 PHE 40 2HB PHE 40 -1.808 -5.592 4.977 162 HD1 PHE 40 2HD PHE 40 -1.475 -7.345 2.869 163 HD2 PHE 40 1HD PHE 40 -3.271 -3.440 2.589 164 HE1 PHE 40 2HE PHE 40 -1.104 -7.342 0.420 165 HE2 PHE 40 1HE PHE 40 -2.914 -3.451 0.146 166 HZ PHE 40 HZ PHE 40 -1.823 -5.389 -0.948 167 H GLY 41 H GLY 41 -5.192 -5.909 6.745 168 HA2 GLY 41 1HA GLY 41 -3.759 -7.104 8.907 169 HA3 GLY 41 2HA GLY 41 -5.456 -6.587 8.918 170 H GLN 42 H GLN 42 -5.674 -8.635 6.491 171 HA GLN 42 HA GLN 42 -6.531 -10.939 8.065 172 HB2 GLN 42 1HB GLN 42 -6.272 -10.722 5.045 173 HB3 GLN 42 2HB GLN 42 -7.304 -11.813 5.962 174 HG2 GLN 42 1HG GLN 42 -7.622 -8.796 5.670 175 HG3 GLN 42 2HG GLN 42 -8.617 -10.026 4.926 176 HE21 GLN 42 2HE2 GLN 42 -9.424 -7.781 6.666 177 HE22 GLN 42 1HE2 GLN 42 -10.226 -8.532 8.050 178 H PHE 43 H PHE 43 -3.566 -10.033 6.455 179 HA PHE 43 HA PHE 43 -2.534 -12.823 6.401 180 HB2 PHE 43 1HB PHE 43 -1.304 -10.223 5.401 181 HB3 PHE 43 2HB PHE 43 -0.671 -11.833 5.146 182 HD1 PHE 43 1HD PHE 43 -3.297 -9.435 4.180 183 HD2 PHE 43 2HD PHE 43 -1.701 -13.354 3.481 184 HE1 PHE 43 1HE PHE 43 -4.592 -9.576 2.068 185 HE2 PHE 43 2HE PHE 43 -2.992 -13.515 1.378 186 HZ PHE 43 HZ PHE 43 -4.444 -11.625 0.664 187 H GLY 44 H GLY 44 -2.027 -9.713 7.989 188 HA2 GLY 44 1HA GLY 44 -1.031 -10.727 10.438 189 HA3 GLY 44 2HA GLY 44 0.344 -10.188 9.481 190 H GLU 45 H GLU 45 -0.566 -8.925 11.954 191 HA GLU 45 HA GLU 45 -2.246 -6.683 11.407 192 HB2 GLU 45 1HB GLU 45 -1.959 -7.576 13.656 193 HB3 GLU 45 2HB GLU 45 -0.249 -7.148 13.647 194 HG2 GLU 45 1HG GLU 45 -1.562 -5.591 14.988 195 HG3 GLU 45 2HG GLU 45 -0.789 -4.772 13.636 196 H VAL 46 H VAL 46 -1.809 -4.537 10.992 197 HA VAL 46 HA VAL 46 0.739 -4.081 9.564 198 HB VAL 46 HB VAL 46 -0.210 -2.448 8.293 199 HG11 VAL 46 1HG1 VAL 46 -0.917 -4.764 7.660 200 HG12 VAL 46 2HG1 VAL 46 -2.450 -4.492 8.532 201 HG13 VAL 46 3HG1 VAL 46 -2.054 -3.509 7.122 202 HG21 VAL 46 3HG2 VAL 46 -2.473 -1.549 8.419 203 HG22 VAL 46 1HG2 VAL 46 -2.729 -2.435 9.936 204 HG23 VAL 46 2HG2 VAL 46 -1.526 -1.116 9.842 205 H LYS 47 H LYS 47 2.191 -2.714 10.207 206 HA LYS 47 HA LYS 47 2.025 -1.273 12.781 207 HB2 LYS 47 1HB LYS 47 3.986 -2.659 12.058 208 HB3 LYS 47 2HB LYS 47 4.250 -1.565 10.704 209 HG2 LYS 47 1HG LYS 47 4.761 0.278 12.232 210 HG3 LYS 47 2HG LYS 47 4.312 -0.720 13.631 211 HD2 LYS 47 1HD LYS 47 6.170 -2.284 13.108 212 HD3 LYS 47 2HD LYS 47 6.615 -1.284 11.707 213 HE2 LYS 47 1HE LYS 47 7.015 0.652 13.215 214 HE3 LYS 47 2HE LYS 47 6.551 -0.330 14.610 215 HZ1 LYS 47 3HZ LYS 47 8.956 -0.243 14.353 216 HZ2 LYS 47 1HZ LYS 47 8.449 -1.779 14.140 217 HZ3 LYS 47 2HZ LYS 47 8.881 -0.870 12.847 218 H GLU 48 H GLU 48 1.793 -0.603 9.350 219 HA GLU 48 HA GLU 48 1.003 2.179 9.759 220 HB2 GLU 48 1HB GLU 48 3.607 2.126 9.705 221 HB3 GLU 48 2HB GLU 48 3.436 1.610 8.027 222 HG2 GLU 48 1HG GLU 48 2.077 3.746 7.637 223 HG3 GLU 48 2HG GLU 48 2.583 4.252 9.252 224 H CYS 49 H CYS 49 -0.170 2.929 7.938 225 HA CYS 49 HA CYS 49 0.029 1.496 5.391 226 HB2 CYS 49 1HB CYS 49 -2.428 1.293 5.147 227 HB3 CYS 49 2HB CYS 49 -1.785 0.278 6.444 228 HG CYS 49 HG CYS 49 -4.243 1.612 6.775 229 H LEU 50 H LEU 50 -0.343 2.779 3.626 230 HA LEU 50 HA LEU 50 -1.076 5.642 3.995 231 HB2 LEU 50 1HB LEU 50 1.520 4.536 2.877 232 HB3 LEU 50 2HB LEU 50 0.963 6.162 2.542 233 HG LEU 50 HG LEU 50 1.668 5.118 5.311 234 HD11 LEU 50 1HD1 LEU 50 3.613 5.320 3.792 235 HD12 LEU 50 2HD1 LEU 50 3.141 6.985 3.387 236 HD13 LEU 50 3HD1 LEU 50 3.656 6.581 5.037 237 HD21 LEU 50 3HD2 LEU 50 1.578 7.529 5.949 238 HD22 LEU 50 1HD2 LEU 50 0.964 7.932 4.332 239 HD23 LEU 50 2HD2 LEU 50 -0.009 6.941 5.443 240 H VAL 51 H VAL 51 -2.016 6.554 2.257 241 HA VAL 51 HA VAL 51 -1.685 5.330 -0.450 242 HB VAL 51 HB VAL 51 -4.339 6.198 0.769 243 HG11 VAL 51 1HG1 VAL 51 -4.231 7.205 -1.468 244 HG12 VAL 51 2HG1 VAL 51 -3.671 5.665 -2.162 245 HG13 VAL 51 3HG1 VAL 51 -5.314 5.818 -1.502 246 HG21 VAL 51 3HG2 VAL 51 -5.075 3.958 -0.029 247 HG22 VAL 51 1HG2 VAL 51 -3.428 3.622 -0.595 248 HG23 VAL 51 2HG2 VAL 51 -3.757 3.833 1.139 249 H MET 52 H MET 52 -1.110 6.744 -1.915 250 HA MET 52 HA MET 52 -0.417 9.456 -0.982 251 HB2 MET 52 1HB MET 52 0.450 7.746 -3.340 252 HB3 MET 52 2HB MET 52 1.087 9.364 -2.993 253 HG2 MET 52 1HG MET 52 1.241 7.117 -0.955 254 HG3 MET 52 2HG MET 52 2.469 7.404 -2.156 255 HE1 MET 52 3HE MET 52 2.132 9.341 1.829 256 HE2 MET 52 1HE MET 52 0.690 8.709 0.996 257 HE3 MET 52 2HE MET 52 2.096 7.648 1.285 258 H ARG 53 H ARG 53 -3.120 9.345 -1.401 259 HA ARG 53 HA ARG 53 -3.943 9.893 -4.044 260 HB2 ARG 53 1HB ARG 53 -6.112 10.436 -3.148 261 HB3 ARG 53 2HB ARG 53 -5.457 9.036 -2.307 262 HG2 ARG 53 1HG ARG 53 -4.829 10.509 -0.382 263 HG3 ARG 53 2HG ARG 53 -5.578 11.880 -1.232 264 HD2 ARG 53 1HD ARG 53 -7.735 10.640 -1.296 265 HD3 ARG 53 2HD ARG 53 -6.985 9.315 -0.383 266 HE ARG 53 HE ARG 53 -6.540 11.667 1.092 267 HH11 ARG 53 1HH1 ARG 53 -9.372 9.770 0.132 268 HH12 ARG 53 2HH1 ARG 53 -10.289 10.273 1.520 269 HH21 ARG 53 1HH2 ARG 53 -7.782 12.273 2.857 270 HH22 ARG 53 2HH2 ARG 53 -9.400 11.667 3.039 271 H ASP 54 H ASP 54 -4.617 11.698 -5.137 272 HA ASP 54 HA ASP 54 -3.267 14.240 -4.508 273 HB2 ASP 54 1HB ASP 54 -5.047 13.316 -6.788 274 HB3 ASP 54 2HB ASP 54 -4.485 14.978 -6.627 275 HA PRO 55 HA PRO 55 -6.975 15.622 -2.355 276 HB2 PRO 55 1HB PRO 55 -6.245 18.159 -1.653 277 HB3 PRO 55 2HB PRO 55 -5.550 16.694 -0.898 278 HG2 PRO 55 1HG PRO 55 -4.381 18.364 -3.142 279 HG3 PRO 55 2HG PRO 55 -3.566 17.775 -1.661 280 HD2 PRO 55 1HD PRO 55 -3.373 16.478 -4.066 281 HD3 PRO 55 2HD PRO 55 -3.393 15.591 -2.512 282 H LEU 56 H LEU 56 -5.822 17.030 -5.334 283 HA LEU 56 HA LEU 56 -8.005 18.922 -5.692 284 HB2 LEU 56 1HB LEU 56 -5.810 17.768 -7.462 285 HB3 LEU 56 2HB LEU 56 -7.081 18.750 -8.140 286 HG LEU 56 HG LEU 56 -5.068 20.033 -7.783 287 HD11 LEU 56 1HD1 LEU 56 -7.278 21.160 -7.690 288 HD12 LEU 56 2HD1 LEU 56 -7.273 21.006 -5.918 289 HD13 LEU 56 3HD1 LEU 56 -6.042 21.989 -6.730 290 HD21 LEU 56 3HD2 LEU 56 -4.184 20.637 -5.626 291 HD22 LEU 56 1HD2 LEU 56 -5.440 19.715 -4.783 292 HD23 LEU 56 2HD2 LEU 56 -4.203 18.869 -5.749 293 H THR 57 H THR 57 -7.592 15.527 -6.414 294 HA THR 57 HA THR 57 -10.221 15.422 -7.860 295 HB THR 57 HB THR 57 -9.208 13.764 -9.359 296 HG1 THR 57 1HG THR 57 -6.810 13.696 -9.207 297 HG21 THR 57 3HG2 THR 57 -7.813 15.210 -10.698 298 HG22 THR 57 1HG2 THR 57 -9.101 16.196 -9.987 299 HG23 THR 57 2HG2 THR 57 -7.456 16.260 -9.316 300 H LYS 58 H LYS 58 -8.403 14.175 -5.296 301 HA LYS 58 HA LYS 58 -8.588 12.532 -3.817 302 HB2 LYS 58 1HB LYS 58 -11.450 12.480 -4.826 303 HB3 LYS 58 2HB LYS 58 -10.878 11.382 -3.587 304 HG2 LYS 58 1HG LYS 58 -11.942 13.257 -2.558 305 HG3 LYS 58 2HG LYS 58 -10.235 13.219 -2.122 306 HD2 LYS 58 1HD LYS 58 -9.762 15.091 -3.620 307 HD3 LYS 58 2HD LYS 58 -11.423 15.045 -4.260 308 HE2 LYS 58 1HE LYS 58 -12.288 15.597 -1.996 309 HE3 LYS 58 2HE LYS 58 -10.636 15.601 -1.360 310 HZ1 LYS 58 3HZ LYS 58 -11.365 17.846 -1.865 311 HZ2 LYS 58 1HZ LYS 58 -10.134 17.450 -2.868 312 HZ3 LYS 58 2HZ LYS 58 -11.675 17.465 -3.423 313 H ARG 59 H ARG 59 -8.154 11.863 -6.938 314 HA ARG 59 HA ARG 59 -8.313 8.983 -7.072 315 HB2 ARG 59 1HB ARG 59 -6.487 10.988 -8.465 316 HB3 ARG 59 2HB ARG 59 -6.468 9.248 -8.771 317 HG2 ARG 59 1HG ARG 59 -8.893 9.351 -9.398 318 HG3 ARG 59 2HG ARG 59 -8.823 11.118 -9.259 319 HD2 ARG 59 1HD ARG 59 -7.086 11.208 -11.013 320 HD3 ARG 59 2HD ARG 59 -7.012 9.449 -11.061 321 HE ARG 59 HE ARG 59 -9.008 9.316 -12.225 322 HH11 ARG 59 1HH1 ARG 59 -8.404 12.720 -11.483 323 HH12 ARG 59 2HH1 ARG 59 -9.633 13.270 -12.585 324 HH21 ARG 59 1HH2 ARG 59 -10.558 10.086 -13.622 325 HH22 ARG 59 2HH2 ARG 59 -10.835 11.794 -13.779 326 H SER 60 H SER 60 -7.148 7.477 -6.144 327 HA SER 60 HA SER 60 -5.162 7.883 -4.129 328 HB2 SER 60 1HB SER 60 -5.083 5.464 -4.102 329 HB3 SER 60 2HB SER 60 -6.767 5.962 -4.379 330 HG SER 60 HG SER 60 -6.369 4.432 -5.896 331 H ARG 61 H ARG 61 -4.736 8.064 -7.476 332 HA ARG 61 HA ARG 61 -3.027 8.005 -8.943 333 HB2 ARG 61 1HB ARG 61 -1.090 7.742 -6.602 334 HB3 ARG 61 2HB ARG 61 -0.686 8.097 -8.274 335 HG2 ARG 61 1HG ARG 61 -1.975 10.209 -8.173 336 HG3 ARG 61 2HG ARG 61 -2.394 9.875 -6.484 337 HD2 ARG 61 1HD ARG 61 -0.553 11.402 -6.465 338 HD3 ARG 61 2HD ARG 61 0.036 9.824 -5.916 339 HE ARG 61 HE ARG 61 0.381 10.261 -8.778 340 HH11 ARG 61 1HH1 ARG 61 1.891 10.946 -5.659 341 HH12 ARG 61 2HH1 ARG 61 3.483 11.073 -6.349 342 HH21 ARG 61 1HH2 ARG 61 2.462 10.425 -9.608 343 HH22 ARG 61 2HH2 ARG 61 3.795 10.789 -8.558 344 H GLY 62 H GLY 62 -4.151 5.456 -7.351 345 HA2 GLY 62 1HA GLY 62 -4.212 3.230 -7.914 346 HA3 GLY 62 2HA GLY 62 -2.962 3.505 -9.149 347 H PHE 63 H PHE 63 -2.098 4.559 -5.909 348 HA PHE 63 HA PHE 63 -0.986 1.983 -5.199 349 HB2 PHE 63 1HB PHE 63 1.268 2.340 -5.477 350 HB3 PHE 63 2HB PHE 63 0.613 3.008 -6.945 351 HD1 PHE 63 1HD PHE 63 0.558 5.550 -7.242 352 HD2 PHE 63 2HD PHE 63 2.362 3.675 -3.802 353 HE1 PHE 63 1HE PHE 63 1.698 7.685 -6.662 354 HE2 PHE 63 2HE PHE 63 3.519 5.781 -3.258 355 HZ PHE 63 HZ PHE 63 3.174 7.794 -4.638 356 H GLY 64 H GLY 64 0.213 1.877 -3.280 357 HA2 GLY 64 1HA GLY 64 0.502 4.170 -1.492 358 HA3 GLY 64 2HA GLY 64 -0.692 3.012 -0.946 359 H PHE 65 H PHE 65 0.634 2.662 0.885 360 HA PHE 65 HA PHE 65 2.771 0.629 0.523 361 HB2 PHE 65 1HB PHE 65 3.098 3.240 2.060 362 HB3 PHE 65 2HB PHE 65 4.121 1.853 2.283 363 HD1 PHE 65 1HD PHE 65 5.640 1.060 0.562 364 HD2 PHE 65 2HD PHE 65 3.395 4.715 0.042 365 HE1 PHE 65 1HE PHE 65 7.238 1.810 -1.182 366 HE2 PHE 65 2HE PHE 65 5.013 5.459 -1.663 367 HZ PHE 65 HZ PHE 65 6.924 4.009 -2.304 368 H VAL 66 H VAL 66 2.992 -0.785 2.258 369 HA VAL 66 HA VAL 66 1.484 -0.233 4.762 370 HB VAL 66 HB VAL 66 1.177 -2.822 3.186 371 HG11 VAL 66 1HG1 VAL 66 1.345 -3.339 5.614 372 HG12 VAL 66 2HG1 VAL 66 0.093 -2.120 5.952 373 HG13 VAL 66 3HG1 VAL 66 -0.300 -3.578 5.025 374 HG21 VAL 66 3HG2 VAL 66 -1.240 -2.296 3.252 375 HG22 VAL 66 1HG2 VAL 66 -0.899 -0.762 4.077 376 HG23 VAL 66 2HG2 VAL 66 -0.348 -1.031 2.414 377 H THR 67 H THR 67 2.614 -0.672 6.496 378 HA THR 67 HA THR 67 5.065 -2.409 6.380 379 HB THR 67 HB THR 67 4.400 -0.350 8.508 380 HG1 THR 67 1HG THR 67 5.902 0.957 7.418 381 HG21 THR 67 3HG2 THR 67 6.767 -0.544 9.083 382 HG22 THR 67 1HG2 THR 67 6.047 -2.161 9.124 383 HG23 THR 67 2HG2 THR 67 7.041 -1.676 7.744 384 H PHE 68 H PHE 68 5.133 -4.115 7.794 385 HA PHE 68 HA PHE 68 2.609 -4.778 9.254 386 HB2 PHE 68 1HB PHE 68 4.738 -6.536 8.013 387 HB3 PHE 68 2HB PHE 68 3.416 -7.123 9.012 388 HD1 PHE 68 2HD PHE 68 4.165 -5.373 5.783 389 HD2 PHE 68 1HD PHE 68 1.246 -7.520 8.124 390 HE1 PHE 68 2HE PHE 68 2.710 -5.577 3.785 391 HE2 PHE 68 1HE PHE 68 -0.202 -7.727 6.123 392 HZ PHE 68 HZ PHE 68 0.533 -6.760 3.948 393 H MET 69 H MET 69 2.703 -5.720 11.303 394 HA MET 69 HA MET 69 4.917 -4.905 13.040 395 HB2 MET 69 1HB MET 69 2.448 -6.610 13.595 396 HB3 MET 69 2HB MET 69 3.592 -6.013 14.797 397 HG2 MET 69 1HG MET 69 3.047 -3.645 13.841 398 HG3 MET 69 2HG MET 69 1.659 -4.433 13.092 399 HE1 MET 69 3HE MET 69 2.358 -3.618 17.583 400 HE2 MET 69 1HE MET 69 3.479 -4.636 16.660 401 HE3 MET 69 2HE MET 69 3.269 -2.923 16.228 402 H ASP 70 H ASP 70 4.549 -7.504 11.009 403 HA ASP 70 HA ASP 70 6.780 -9.018 12.135 404 HB2 ASP 70 1HB ASP 70 5.541 -11.138 12.214 405 HB3 ASP 70 2HB ASP 70 4.928 -9.982 13.383 406 H GLN 71 H GLN 71 7.688 -10.536 10.655 407 HA GLN 71 HA GLN 71 7.346 -9.817 7.854 408 HB2 GLN 71 1HB GLN 71 9.518 -10.399 9.032 409 HB3 GLN 71 2HB GLN 71 8.980 -12.064 9.107 410 HG2 GLN 71 1HG GLN 71 10.533 -11.760 7.256 411 HG3 GLN 71 2HG GLN 71 8.954 -12.219 6.650 412 HE21 GLN 71 2HE2 GLN 71 10.011 -11.353 4.578 413 HE22 GLN 71 1HE2 GLN 71 9.851 -9.627 4.289 414 H ALA 72 H ALA 72 6.015 -12.281 9.913 415 HA ALA 72 HA ALA 72 5.502 -14.300 7.974 416 HB1 ALA 72 1HB ALA 72 5.429 -14.644 10.432 417 HB2 ALA 72 2HB ALA 72 3.946 -13.654 10.514 418 HB3 ALA 72 3HB ALA 72 3.944 -15.194 9.630 419 H GLY 73 H GLY 73 3.638 -11.325 8.621 420 HA2 GLY 73 1HA GLY 73 1.475 -12.125 6.796 421 HA3 GLY 73 2HA GLY 73 1.756 -10.507 7.464 422 H VAL 74 H VAL 74 4.491 -10.301 6.477 423 HA VAL 74 HA VAL 74 4.087 -9.377 3.771 424 HB VAL 74 HB VAL 74 6.665 -9.980 5.276 425 HG11 VAL 74 1HG1 VAL 74 7.195 -10.128 2.909 426 HG12 VAL 74 2HG1 VAL 74 6.324 -8.617 2.578 427 HG13 VAL 74 3HG1 VAL 74 7.809 -8.601 3.546 428 HG21 VAL 74 3HG2 VAL 74 6.852 -7.545 5.495 429 HG22 VAL 74 1HG2 VAL 74 5.318 -7.334 4.627 430 HG23 VAL 74 2HG2 VAL 74 5.352 -8.114 6.228 431 H ASP 75 H ASP 75 5.612 -12.335 5.144 432 HA ASP 75 HA ASP 75 6.374 -13.682 2.844 433 HB2 ASP 75 1HB ASP 75 6.740 -14.353 5.247 434 HB3 ASP 75 2HB ASP 75 5.077 -14.898 5.319 435 H LYS 76 H LYS 76 3.112 -13.845 4.377 436 HA LYS 76 HA LYS 76 1.997 -15.651 2.464 437 HB2 LYS 76 1HB LYS 76 0.652 -13.565 4.221 438 HB3 LYS 76 2HB LYS 76 -0.177 -14.874 3.343 439 HG2 LYS 76 1HG LYS 76 0.969 -16.569 4.667 440 HG3 LYS 76 2HG LYS 76 1.889 -15.320 5.514 441 HD2 LYS 76 1HD LYS 76 -0.450 -14.291 6.125 442 HD3 LYS 76 2HD LYS 76 -1.124 -15.811 5.532 443 HE2 LYS 76 1HE LYS 76 -0.965 -16.191 7.817 444 HE3 LYS 76 2HE LYS 76 0.506 -16.961 7.198 445 HZ1 LYS 76 3HZ LYS 76 0.980 -15.556 9.123 446 HZ2 LYS 76 1HZ LYS 76 1.702 -14.900 7.796 447 HZ3 LYS 76 2HZ LYS 76 0.323 -14.241 8.391 448 H VAL 77 H VAL 77 2.189 -12.105 2.416 449 HA VAL 77 HA VAL 77 0.367 -11.807 0.181 450 HB VAL 77 HB VAL 77 2.439 -9.881 1.270 451 HG11 VAL 77 1HG1 VAL 77 1.889 -9.188 -1.044 452 HG12 VAL 77 2HG1 VAL 77 0.156 -9.301 -0.677 453 HG13 VAL 77 3HG1 VAL 77 1.171 -8.081 0.119 454 HG21 VAL 77 3HG2 VAL 77 0.525 -8.784 2.360 455 HG22 VAL 77 1HG2 VAL 77 -0.610 -9.914 1.589 456 HG23 VAL 77 2HG2 VAL 77 0.513 -10.488 2.821 457 H LEU 78 H LEU 78 3.868 -12.405 0.406 458 HA LEU 78 HA LEU 78 4.326 -12.085 -2.477 459 HB2 LEU 78 1HB LEU 78 5.926 -13.530 -0.335 460 HB3 LEU 78 2HB LEU 78 6.517 -13.057 -1.924 461 HG LEU 78 HG LEU 78 5.572 -11.040 0.169 462 HD11 LEU 78 1HD1 LEU 78 7.359 -12.397 1.042 463 HD12 LEU 78 2HD1 LEU 78 8.341 -12.132 -0.417 464 HD13 LEU 78 3HD1 LEU 78 7.974 -10.766 0.674 465 HD21 LEU 78 3HD2 LEU 78 6.843 -9.432 -1.161 466 HD22 LEU 78 1HD2 LEU 78 7.215 -10.689 -2.365 467 HD23 LEU 78 2HD2 LEU 78 5.534 -10.151 -2.101 468 H ALA 79 H ALA 79 3.757 -14.783 -0.233 469 HA ALA 79 HA ALA 79 4.198 -16.843 -2.113 470 HB1 ALA 79 1HB ALA 79 4.364 -17.099 0.335 471 HB2 ALA 79 2HB ALA 79 2.604 -16.870 0.488 472 HB3 ALA 79 3HB ALA 79 3.249 -18.297 -0.350 473 H GLN 80 H GLN 80 1.236 -15.013 -1.505 474 HA GLN 80 HA GLN 80 -0.501 -16.962 -2.833 475 HB2 GLN 80 1HB GLN 80 -1.224 -15.640 -0.879 476 HB3 GLN 80 2HB GLN 80 -1.061 -14.149 -1.809 477 HG2 GLN 80 1HG GLN 80 -2.826 -14.879 -3.354 478 HG3 GLN 80 2HG GLN 80 -2.911 -16.457 -2.571 479 HE21 GLN 80 2HE2 GLN 80 -4.383 -13.411 -2.677 480 HE22 GLN 80 1HE2 GLN 80 -5.227 -13.531 -1.130 481 H SER 81 H SER 81 -1.281 -16.910 -4.907 482 HA SER 81 HA SER 81 0.304 -15.482 -6.822 483 HB2 SER 81 1HB SER 81 -2.093 -17.283 -7.291 484 HB3 SER 81 2HB SER 81 -0.811 -16.883 -8.447 485 HG SER 81 HG SER 81 -0.470 -18.939 -7.463 486 H ARG 82 H ARG 82 -2.469 -14.313 -5.352 487 HA ARG 82 HA ARG 82 -2.951 -12.262 -7.359 488 HB2 ARG 82 1HB ARG 82 -4.248 -14.060 -8.386 489 HB3 ARG 82 2HB ARG 82 -5.073 -14.400 -6.858 490 HG2 ARG 82 1HG ARG 82 -6.205 -12.240 -6.923 491 HG3 ARG 82 2HG ARG 82 -5.267 -11.743 -8.344 492 HD2 ARG 82 1HD ARG 82 -6.378 -13.437 -9.706 493 HD3 ARG 82 2HD ARG 82 -7.205 -14.092 -8.283 494 HE ARG 82 HE ARG 82 -8.671 -12.262 -8.243 495 HH11 ARG 82 1HH1 ARG 82 -6.326 -11.749 -10.859 496 HH12 ARG 82 2HH1 ARG 82 -7.035 -10.198 -11.254 497 HH21 ARG 82 1HH2 ARG 82 -9.560 -10.312 -8.922 498 HH22 ARG 82 2HH2 ARG 82 -8.756 -9.424 -10.207 499 H HIS 83 H HIS 83 -4.021 -10.498 -6.536 500 HA HIS 83 HA HIS 83 -5.339 -10.639 -3.892 501 HB2 HIS 83 1HB HIS 83 -3.079 -8.742 -4.643 502 HB3 HIS 83 2HB HIS 83 -4.136 -8.517 -3.244 503 HD1 HIS 83 1HD HIS 83 -3.942 -10.507 -1.315 504 HD2 HIS 83 2HD HIS 83 -1.049 -10.417 -4.363 505 HE1 HIS 83 1HE HIS 83 -2.002 -11.968 -0.513 506 H GLU 84 H GLU 84 -6.915 -8.981 -3.555 507 HA GLU 84 HA GLU 84 -7.652 -7.245 -5.817 508 HB2 GLU 84 1HB GLU 84 -8.475 -9.575 -6.344 509 HB3 GLU 84 2HB GLU 84 -9.482 -9.490 -4.894 510 HG2 GLU 84 1HG GLU 84 -10.570 -7.415 -5.881 511 HG3 GLU 84 2HG GLU 84 -9.633 -7.695 -7.355 512 H LEU 85 H LEU 85 -8.602 -5.465 -5.139 513 HA LEU 85 HA LEU 85 -10.158 -5.294 -2.648 514 HB2 LEU 85 1HB LEU 85 -7.859 -5.055 -1.847 515 HB3 LEU 85 2HB LEU 85 -7.509 -3.864 -3.106 516 HG LEU 85 HG LEU 85 -9.058 -2.257 -2.040 517 HD11 LEU 85 1HD1 LEU 85 -10.684 -3.714 -0.945 518 HD12 LEU 85 2HD1 LEU 85 -9.420 -4.448 0.054 519 HD13 LEU 85 3HD1 LEU 85 -9.874 -2.750 0.295 520 HD21 LEU 85 3HD2 LEU 85 -7.664 -1.806 -0.065 521 HD22 LEU 85 1HD2 LEU 85 -6.994 -3.450 -0.136 522 HD23 LEU 85 2HD2 LEU 85 -6.665 -2.295 -1.446 523 H ASP 86 H ASP 86 -11.713 -3.759 -2.823 524 HA ASP 86 HA ASP 86 -13.250 -2.481 -3.858 525 HB2 ASP 86 1HB ASP 86 -11.407 -0.788 -3.474 526 HB3 ASP 86 2HB ASP 86 -10.964 -0.975 -5.168 527 H SER 87 H SER 87 -12.491 -4.932 -5.123 528 HA SER 87 HA SER 87 -12.871 -6.214 -6.947 529 HB2 SER 87 1HB SER 87 -14.438 -3.888 -8.107 530 HB3 SER 87 2HB SER 87 -14.502 -5.583 -8.594 531 HG SER 87 HG SER 87 -15.229 -4.554 -6.031 532 H LYS 88 H LYS 88 -10.493 -4.277 -6.907 533 HA LYS 88 HA LYS 88 -9.745 -4.493 -9.801 534 HB2 LYS 88 1HB LYS 88 -9.012 -2.472 -7.648 535 HB3 LYS 88 2HB LYS 88 -7.984 -2.715 -9.051 536 HG2 LYS 88 1HG LYS 88 -10.931 -2.105 -9.333 537 HG3 LYS 88 2HG LYS 88 -9.719 -0.821 -9.141 538 HD2 LYS 88 1HD LYS 88 -8.530 -1.747 -11.169 539 HD3 LYS 88 2HD LYS 88 -9.917 -2.812 -11.439 540 HE2 LYS 88 1HE LYS 88 -9.987 0.245 -11.303 541 HE3 LYS 88 2HE LYS 88 -9.981 -0.707 -12.790 542 HZ1 LYS 88 3HZ LYS 88 -12.222 -0.043 -12.201 543 HZ2 LYS 88 1HZ LYS 88 -12.112 -1.670 -12.108 544 HZ3 LYS 88 2HZ LYS 88 -12.128 -0.766 -10.742 545 H THR 89 H THR 89 -7.925 -5.526 -10.282 546 HA THR 89 HA THR 89 -6.754 -7.392 -8.342 547 HB THR 89 HB THR 89 -5.734 -6.790 -11.147 548 HG1 THR 89 1HG THR 89 -7.673 -7.512 -11.622 549 HG21 THR 89 3HG2 THR 89 -4.916 -9.131 -10.977 550 HG22 THR 89 1HG2 THR 89 -4.203 -8.112 -9.721 551 HG23 THR 89 2HG2 THR 89 -5.521 -9.226 -9.308 552 H ILE 90 H ILE 90 -5.172 -6.853 -6.937 553 HA ILE 90 HA ILE 90 -3.505 -4.434 -7.537 554 HB ILE 90 HB ILE 90 -3.133 -4.159 -5.185 555 HG12 ILE 90 1HG1 ILE 90 -5.040 -6.449 -4.624 556 HG13 ILE 90 2HG1 ILE 90 -3.280 -6.497 -4.442 557 HG21 ILE 90 1HG2 ILE 90 -5.131 -3.128 -6.338 558 HG22 ILE 90 2HG2 ILE 90 -6.128 -4.477 -5.767 559 HG23 ILE 90 3HG2 ILE 90 -5.411 -3.367 -4.611 560 HD11 ILE 90 3HD1 ILE 90 -4.147 -6.061 -2.277 561 HD12 ILE 90 1HD1 ILE 90 -3.470 -4.518 -2.857 562 HD13 ILE 90 2HD1 ILE 90 -5.227 -4.792 -2.872 563 H ASP 91 H ASP 91 -1.314 -4.407 -6.965 564 HA ASP 91 HA ASP 91 0.038 -7.066 -7.232 565 HB2 ASP 91 1HB ASP 91 -0.284 -5.951 -9.394 566 HB3 ASP 91 2HB ASP 91 0.523 -4.510 -8.776 567 HA PRO 92 HA PRO 92 2.039 -4.618 -3.836 568 HB2 PRO 92 1HB PRO 92 1.634 -6.333 -1.731 569 HB3 PRO 92 2HB PRO 92 0.451 -5.104 -2.258 570 HG2 PRO 92 1HG PRO 92 0.453 -8.060 -2.878 571 HG3 PRO 92 2HG PRO 92 -0.939 -6.983 -2.467 572 HD2 PRO 92 1HD PRO 92 -0.303 -7.713 -5.030 573 HD3 PRO 92 2HD PRO 92 -1.105 -6.180 -4.567 574 H LYS 93 H LYS 93 4.093 -4.892 -3.063 575 HA LYS 93 HA LYS 93 5.590 -7.401 -3.379 576 HB2 LYS 93 1HB LYS 93 7.098 -6.478 -5.103 577 HB3 LYS 93 2HB LYS 93 5.440 -6.613 -5.679 578 HG2 LYS 93 1HG LYS 93 5.103 -4.170 -5.288 579 HG3 LYS 93 2HG LYS 93 6.758 -4.041 -4.687 580 HD2 LYS 93 1HD LYS 93 6.742 -3.258 -6.961 581 HD3 LYS 93 2HD LYS 93 7.615 -4.783 -6.898 582 HE2 LYS 93 1HE LYS 93 6.248 -4.810 -8.866 583 HE3 LYS 93 2HE LYS 93 5.561 -5.969 -7.729 584 HZ1 LYS 93 3HZ LYS 93 3.855 -4.620 -8.752 585 HZ2 LYS 93 1HZ LYS 93 3.868 -4.300 -7.161 586 HZ3 LYS 93 2HZ LYS 93 4.518 -3.224 -8.234 587 H VAL 94 H VAL 94 7.954 -7.083 -2.863 588 HA VAL 94 HA VAL 94 8.177 -5.924 -0.270 589 HB VAL 94 HB VAL 94 10.457 -6.746 -2.120 590 HG11 VAL 94 1HG1 VAL 94 11.321 -5.392 -0.261 591 HG12 VAL 94 2HG1 VAL 94 10.381 -6.348 0.910 592 HG13 VAL 94 3HG1 VAL 94 11.728 -7.084 0.013 593 HG21 VAL 94 3HG2 VAL 94 10.415 -8.879 -0.804 594 HG22 VAL 94 1HG2 VAL 94 8.914 -8.337 -0.024 595 HG23 VAL 94 2HG2 VAL 94 8.968 -8.642 -1.778 596 H ALA 95 H ALA 95 8.871 -3.992 0.496 597 HA ALA 95 HA ALA 95 9.079 -1.803 -1.431 598 HB1 ALA 95 1HB ALA 95 7.618 -1.633 0.542 599 HB2 ALA 95 2HB ALA 95 9.033 -1.807 1.607 600 HB3 ALA 95 3HB ALA 95 8.873 -0.381 0.561 601 H PHE 96 H PHE 96 10.771 -0.450 -1.793 602 HA PHE 96 HA PHE 96 13.479 -1.042 -1.137 603 HB2 PHE 96 1HB PHE 96 12.280 1.692 -1.719 604 HB3 PHE 96 2HB PHE 96 13.953 1.218 -1.942 605 HD1 PHE 96 2HD PHE 96 13.364 -1.510 -3.396 606 HD2 PHE 96 1HD PHE 96 11.883 2.514 -3.902 607 HE1 PHE 96 2HE PHE 96 12.865 -1.984 -5.773 608 HE2 PHE 96 1HE PHE 96 11.378 2.030 -6.275 609 HZ PHE 96 HZ PHE 96 11.867 -0.222 -7.220 610 HA PRO 97 HA PRO 97 13.608 0.328 3.095 611 HB2 PRO 97 1HB PRO 97 16.250 0.925 3.483 612 HB3 PRO 97 2HB PRO 97 15.650 -0.744 3.238 613 HG2 PRO 97 1HG PRO 97 16.827 1.133 1.164 614 HG3 PRO 97 2HG PRO 97 17.266 -0.577 1.480 615 HD2 PRO 97 1HD PRO 97 15.532 0.107 -0.500 616 HD3 PRO 97 2HD PRO 97 15.272 -1.368 0.479 617 H ARG 98 H ARG 98 13.336 2.160 4.275 618 HA ARG 98 HA ARG 98 13.243 4.754 2.952 619 HB2 ARG 98 1HB ARG 98 12.688 3.806 5.793 620 HB3 ARG 98 2HB ARG 98 12.626 5.510 5.322 621 HG2 ARG 98 1HG ARG 98 10.925 5.044 3.633 622 HG3 ARG 98 2HG ARG 98 10.945 3.317 4.030 623 HD2 ARG 98 1HD ARG 98 10.046 3.693 6.201 624 HD3 ARG 98 2HD ARG 98 10.351 5.435 6.126 625 HE ARG 98 HE ARG 98 8.669 5.034 3.999 626 HH11 ARG 98 1HH1 ARG 98 8.327 4.356 7.480 627 HH12 ARG 98 2HH1 ARG 98 6.583 4.499 7.404 628 HH21 ARG 98 1HH2 ARG 98 6.446 5.171 4.018 629 HH22 ARG 98 2HH2 ARG 98 5.563 4.855 5.517 630 H ARG 99 H ARG 99 14.533 6.490 3.219 631 HA ARG 99 HA ARG 99 17.291 6.269 3.963 632 HB2 ARG 99 1HB ARG 99 16.136 7.943 2.387 633 HB3 ARG 99 2HB ARG 99 15.783 8.863 3.861 634 HG2 ARG 99 1HG ARG 99 18.359 8.603 4.362 635 HG3 ARG 99 2HG ARG 99 18.489 8.067 2.678 636 HD2 ARG 99 1HD ARG 99 17.387 10.179 1.978 637 HD3 ARG 99 2HD ARG 99 17.313 10.680 3.674 638 HE ARG 99 HE ARG 99 19.619 10.739 1.885 639 HH11 ARG 99 1HH1 ARG 99 18.822 10.644 5.370 640 HH12 ARG 99 2HH1 ARG 99 20.328 11.398 5.783 641 HH21 ARG 99 1HH2 ARG 99 21.528 11.658 2.545 642 HH22 ARG 99 2HH2 ARG 99 21.837 11.936 4.232 643 H ALA 100 H ALA 100 18.390 6.833 5.834 644 HA ALA 100 HA ALA 100 17.104 7.084 8.398 645 HB1 ALA 100 1HB ALA 100 19.420 6.258 8.099 646 HB2 ALA 100 2HB ALA 100 19.920 7.851 7.478 647 HB3 ALA 100 3HB ALA 100 19.388 7.676 9.163 648 H GLN 101 H GLN 101 16.635 8.906 9.623 649 HA GLN 101 HA GLN 101 16.710 11.599 8.367 650 HB2 GLN 101 1HB GLN 101 14.259 9.954 9.122 651 HB3 GLN 101 2HB GLN 101 14.192 11.710 9.015 652 HG2 GLN 101 1HG GLN 101 14.592 11.733 6.678 653 HG3 GLN 101 2HG GLN 101 15.162 10.072 6.651 654 HE21 GLN 101 2HE2 GLN 101 13.696 8.358 6.455 655 HE22 GLN 101 1HE2 GLN 101 11.955 8.626 6.290 656 HA PRO 102 HA PRO 102 17.249 12.668 12.679 657 HB2 PRO 102 1HB PRO 102 16.836 15.354 12.664 658 HB3 PRO 102 2HB PRO 102 18.227 14.599 11.825 659 HG2 PRO 102 1HG PRO 102 15.573 15.456 10.623 660 HG3 PRO 102 2HG PRO 102 17.224 15.817 10.028 661 HD2 PRO 102 1HD PRO 102 15.723 13.746 9.045 662 HD3 PRO 102 2HD PRO 102 17.504 13.643 9.192 663 H LYS 103 H LYS 103 16.111 13.020 14.548 664 HA LYS 103 HA LYS 103 13.590 14.213 14.850 665 HB2 LYS 103 1HB LYS 103 12.107 12.469 15.367 666 HB3 LYS 103 2HB LYS 103 12.676 12.186 13.746 667 HG2 LYS 103 1HG LYS 103 13.608 10.664 16.233 668 HG3 LYS 103 2HG LYS 103 12.346 10.169 15.124 669 HD2 LYS 103 1HD LYS 103 13.990 8.927 14.228 670 HD3 LYS 103 2HD LYS 103 14.271 10.394 13.289 671 HE2 LYS 103 1HE LYS 103 16.018 11.057 14.994 672 HE3 LYS 103 2HE LYS 103 15.730 9.538 15.840 673 HZ1 LYS 103 3HZ LYS 103 17.626 9.404 14.296 674 HZ2 LYS 103 1HZ LYS 103 16.458 8.352 13.856 675 HZ3 LYS 103 2HZ LYS 103 16.651 9.747 13.021 676 H5' G 104 H5' G 104 -3.956 -0.240 -14.011 677 H5'' G 104 H5" G 104 -2.415 0.184 -13.254 678 H4' G 104 H4' G 104 -3.431 2.132 -14.319 679 H3' G 104 H3' G 104 -2.647 2.081 -11.533 680 H2' G 104 H2' G 104 -4.695 2.695 -10.721 681 HO2' G 104 HO2 G 104 -3.409 4.963 -11.666 682 H1' G 104 H1' G 104 -5.386 4.061 -13.339 683 H8 G 104 8H G 104 -6.737 2.827 -10.039 684 H1 G 104 1H G 104 -11.298 4.054 -14.412 685 H21 G 104 1H2 G 104 -10.305 4.442 -16.400 686 H22 G 104 2H2 G 104 -8.557 4.339 -16.530 687 HO5' G 104 H5T G 104 -4.935 -0.183 -11.946 688 H5' U 105 H5' U 105 -1.008 3.204 -10.232 689 H5'' U 105 H5" U 105 0.101 4.406 -10.892 690 H4' U 105 H4' U 105 1.093 3.418 -8.972 691 H3' U 105 H3' U 105 2.457 3.578 -11.340 692 H2' U 105 H2' U 105 2.054 1.352 -11.999 693 HO2' U 105 HO2 U 105 4.551 1.708 -11.024 694 H1' U 105 H1' U 105 2.576 0.412 -9.179 695 H3 U 105 3H U 105 1.989 -3.886 -10.551 696 H5 U 105 5H U 105 -1.057 -1.843 -12.572 697 H6 U 105 6H U 105 -0.250 0.250 -11.604 698 H5' A 106 H5' A 106 3.912 4.471 -7.195 699 H5'' A 106 H5" A 106 4.489 5.981 -7.896 700 H4' A 106 H4' A 106 5.041 5.859 -5.562 701 H3' A 106 H3' A 106 6.921 6.692 -7.332 702 H2' A 106 H2' A 106 7.789 4.436 -7.631 703 HO2' A 106 HO2 A 106 9.429 5.892 -5.826 704 H1' A 106 H1' A 106 7.793 4.249 -4.614 705 H8 A 106 8H A 106 7.185 2.072 -7.818 706 H61 A 106 1H6 A 106 9.497 -2.407 -4.055 707 H62 A 106 2H6 A 106 8.946 -2.132 -5.710 708 H2 A 106 2H A 106 9.490 1.279 -1.860 709 H5' G 107 H5' G 107 5.762 8.620 -4.015 710 H5'' G 107 H5" G 107 6.542 10.205 -3.936 711 H4' G 107 H4' G 107 5.279 9.989 -1.938 712 H3' G 107 H3' G 107 8.204 9.405 -1.371 713 H2' G 107 H2' G 107 7.615 9.176 0.880 714 HO2' G 107 HO2 G 107 6.208 11.244 0.643 715 H1' G 107 H1' G 107 4.953 8.272 0.424 716 H8 G 107 8H G 107 5.387 6.560 2.316 717 H1 G 107 1H G 107 10.692 4.286 -0.562 718 H21 G 107 1H2 G 107 10.955 5.343 -2.535 719 H22 G 107 2H2 G 107 9.834 6.592 -3.033 720 H5' U 108 H5' U 108 10.695 12.634 1.195 721 H5'' U 108 H5" U 108 11.470 11.797 -0.150 722 H4' U 108 H4' U 108 12.480 11.076 1.897 723 H3' U 108 H3' U 108 11.437 9.211 0.072 724 HO3' U 108 H3T U 108 13.547 9.027 0.877 725 H2' U 108 H2' U 108 9.540 8.730 1.398 726 HO2' U 108 HO2 U 108 11.672 7.022 1.989 727 H1' U 108 H1' U 108 11.367 8.914 3.813 728 H3 U 108 3H U 108 8.125 7.625 6.705 729 H5 U 108 5H U 108 5.981 9.848 3.880 730 H6 U 108 6H U 108 8.070 10.284 2.692 Start of MODEL 12 1 H CYS 20 1H CYS 20 10.420 -4.385 6.577 2 HA CYS 20 HA CYS 20 8.918 -6.263 6.542 3 HB2 CYS 20 1HB CYS 20 7.686 -5.042 9.055 4 HB3 CYS 20 2HB CYS 20 7.193 -6.517 8.255 5 HG CYS 20 HG CYS 20 8.483 -6.951 10.577 6 H LYS 21 H LYS 21 8.739 -4.666 4.618 7 HA LYS 21 HA LYS 21 6.156 -3.235 4.739 8 HB2 LYS 21 1HB LYS 21 7.928 -1.675 5.592 9 HB3 LYS 21 2HB LYS 21 8.745 -1.783 4.030 10 HG2 LYS 21 1HG LYS 21 6.847 -0.764 2.895 11 HG3 LYS 21 2HG LYS 21 5.834 -0.931 4.335 12 HD2 LYS 21 1HD LYS 21 7.294 0.687 5.527 13 HD3 LYS 21 2HD LYS 21 8.251 0.890 4.045 14 HE2 LYS 21 1HE LYS 21 6.314 1.705 2.821 15 HE3 LYS 21 2HE LYS 21 5.219 1.276 4.155 16 HZ1 LYS 21 3HZ LYS 21 5.864 3.678 3.955 17 HZ2 LYS 21 1HZ LYS 21 6.066 3.016 5.456 18 HZ3 LYS 21 2HZ LYS 21 7.360 3.276 4.433 19 H MET 22 H MET 22 5.192 -2.703 2.865 20 HA MET 22 HA MET 22 6.271 -3.819 0.327 21 HB2 MET 22 1HB MET 22 3.511 -4.334 1.526 22 HB3 MET 22 2HB MET 22 4.078 -4.876 -0.058 23 HG2 MET 22 1HG MET 22 5.961 -6.102 1.164 24 HG3 MET 22 2HG MET 22 5.138 -5.689 2.666 25 HE1 MET 22 3HE MET 22 4.002 -8.771 -0.506 26 HE2 MET 22 1HE MET 22 4.012 -7.050 -0.953 27 HE3 MET 22 2HE MET 22 5.490 -7.822 -0.338 28 H PHE 23 H PHE 23 5.731 -2.834 -1.452 29 HA PHE 23 HA PHE 23 4.163 -0.305 -1.525 30 HB2 PHE 23 1HB PHE 23 6.201 -0.215 -2.764 31 HB3 PHE 23 2HB PHE 23 5.998 -1.837 -3.405 32 HD1 PHE 23 1HD PHE 23 4.366 -2.321 -5.225 33 HD2 PHE 23 2HD PHE 23 5.149 1.703 -3.882 34 HE1 PHE 23 1HE PHE 23 3.314 -1.427 -7.284 35 HE2 PHE 23 2HE PHE 23 4.136 2.575 -5.968 36 HZ PHE 23 HZ PHE 23 3.216 1.033 -7.667 37 H ILE 24 H ILE 24 2.139 -0.258 -2.546 38 HA ILE 24 HA ILE 24 0.963 -2.910 -3.361 39 HB ILE 24 HB ILE 24 -0.598 -0.699 -2.004 40 HG12 ILE 24 1HG1 ILE 24 1.037 -1.293 -0.330 41 HG13 ILE 24 2HG1 ILE 24 -0.577 -1.813 0.085 42 HG21 ILE 24 1HG2 ILE 24 -1.845 -2.352 -3.333 43 HG22 ILE 24 2HG2 ILE 24 -1.115 -3.677 -2.410 44 HG23 ILE 24 3HG2 ILE 24 -2.199 -2.521 -1.606 45 HD11 ILE 24 3HD1 ILE 24 1.169 -3.456 0.724 46 HD12 ILE 24 1HD1 ILE 24 -0.010 -4.147 -0.396 47 HD13 ILE 24 2HD1 ILE 24 1.597 -3.671 -0.976 48 H GLY 25 H GLY 25 1.070 -2.674 -5.583 49 HA2 GLY 25 1HA GLY 25 0.134 -0.170 -6.885 50 HA3 GLY 25 2HA GLY 25 0.871 -1.586 -7.661 51 H GLY 26 H GLY 26 -1.332 -0.366 -8.769 52 HA2 GLY 26 1HA GLY 26 -3.108 -1.201 -9.994 53 HA3 GLY 26 2HA GLY 26 -2.961 -2.748 -9.136 54 H LEU 27 H LEU 27 -3.425 0.080 -7.171 55 HA LEU 27 HA LEU 27 -5.891 -0.941 -6.043 56 HB2 LEU 27 1HB LEU 27 -4.553 1.787 -5.762 57 HB3 LEU 27 2HB LEU 27 -5.864 1.199 -4.769 58 HG LEU 27 HG LEU 27 -3.043 0.051 -4.816 59 HD11 LEU 27 1HD1 LEU 27 -3.376 2.291 -3.715 60 HD12 LEU 27 2HD1 LEU 27 -4.595 1.570 -2.666 61 HD13 LEU 27 3HD1 LEU 27 -2.907 1.017 -2.571 62 HD21 LEU 27 3HD2 LEU 27 -3.906 -1.225 -2.780 63 HD22 LEU 27 1HD2 LEU 27 -5.545 -0.857 -3.356 64 HD23 LEU 27 2HD2 LEU 27 -4.419 -1.790 -4.370 65 H SER 28 H SER 28 -7.859 0.306 -5.817 66 HA SER 28 HA SER 28 -8.912 1.439 -8.331 67 HB2 SER 28 1HB SER 28 -10.293 -0.040 -6.935 68 HB3 SER 28 2HB SER 28 -10.120 1.069 -5.566 69 HG SER 28 HG SER 28 -12.062 1.403 -6.580 70 H TRP 29 H TRP 29 -9.532 3.632 -8.607 71 HA TRP 29 HA TRP 29 -7.924 5.633 -7.481 72 HB2 TRP 29 1HB TRP 29 -10.536 5.737 -8.991 73 HB3 TRP 29 2HB TRP 29 -9.677 7.181 -8.497 74 HD1 TRP 29 HD TRP 29 -6.704 5.927 -9.243 75 HE1 TRP 29 1HE TRP 29 -6.006 5.844 -11.680 76 HE3 TRP 29 3HE TRP 29 -11.328 6.374 -11.417 77 HZ2 TRP 29 2HZ TRP 29 -7.260 6.122 -14.285 78 HZ3 TRP 29 3HZ TRP 29 -11.538 6.462 -13.886 79 HH2 TRP 29 HH TRP 29 -9.518 6.331 -15.329 80 H GLN 30 H GLN 30 -10.677 4.275 -5.998 81 HA GLN 30 HA GLN 30 -10.986 6.607 -4.144 82 HB2 GLN 30 1HB GLN 30 -13.232 5.821 -3.714 83 HB3 GLN 30 2HB GLN 30 -12.990 6.081 -5.442 84 HG2 GLN 30 1HG GLN 30 -12.732 3.651 -5.800 85 HG3 GLN 30 2HG GLN 30 -12.895 3.356 -4.068 86 HE21 GLN 30 2HE2 GLN 30 -14.587 1.883 -5.269 87 HE22 GLN 30 1HE2 GLN 30 -16.214 2.576 -5.351 88 H THR 31 H THR 31 -9.136 3.994 -4.157 89 HA THR 31 HA THR 31 -9.773 2.629 -1.700 90 HB THR 31 HB THR 31 -7.032 2.935 -2.989 91 HG1 THR 31 1HG THR 31 -8.284 2.145 -4.525 92 HG21 THR 31 3HG2 THR 31 -6.748 0.610 -2.026 93 HG22 THR 31 1HG2 THR 31 -6.870 1.874 -0.798 94 HG23 THR 31 2HG2 THR 31 -8.270 0.829 -1.148 95 H THR 32 H THR 32 -9.081 2.977 0.376 96 HA THR 32 HA THR 32 -7.495 5.437 0.990 97 HB THR 32 HB THR 32 -8.715 5.635 3.085 98 HG1 THR 32 1HG THR 32 -10.606 4.259 3.317 99 HG21 THR 32 3HG2 THR 32 -10.874 6.364 2.281 100 HG22 THR 32 1HG2 THR 32 -9.660 6.762 1.054 101 HG23 THR 32 2HG2 THR 32 -10.738 5.368 0.819 102 H GLN 33 H GLN 33 -6.198 5.285 2.927 103 HA GLN 33 HA GLN 33 -4.780 2.765 3.137 104 HB2 GLN 33 1HB GLN 33 -3.465 3.963 4.900 105 HB3 GLN 33 2HB GLN 33 -3.509 4.650 3.287 106 HG2 GLN 33 1HG GLN 33 -5.286 6.291 4.138 107 HG3 GLN 33 2HG GLN 33 -4.856 5.738 5.764 108 HE21 GLN 33 2HE2 GLN 33 -3.240 7.087 6.699 109 HE22 GLN 33 1HE2 GLN 33 -2.076 7.990 5.745 110 H GLU 34 H GLU 34 -7.476 4.065 4.895 111 HA GLU 34 HA GLU 34 -7.369 2.085 7.047 112 HB2 GLU 34 1HB GLU 34 -9.676 3.732 5.927 113 HB3 GLU 34 2HB GLU 34 -9.775 2.674 7.341 114 HG2 GLU 34 1HG GLU 34 -8.000 4.013 8.464 115 HG3 GLU 34 2HG GLU 34 -7.955 5.108 7.079 116 H GLY 35 H GLY 35 -8.771 2.246 3.749 117 HA2 GLY 35 1HA GLY 35 -10.055 -0.337 3.784 118 HA3 GLY 35 2HA GLY 35 -9.593 0.617 2.355 119 H LEU 36 H LEU 36 -6.730 0.741 2.892 120 HA LEU 36 HA LEU 36 -5.826 -1.874 2.122 121 HB2 LEU 36 1HB LEU 36 -4.156 0.302 3.483 122 HB3 LEU 36 2HB LEU 36 -3.559 -1.122 2.664 123 HG LEU 36 HG LEU 36 -4.830 1.315 1.412 124 HD11 LEU 36 1HD1 LEU 36 -2.411 1.368 1.972 125 HD12 LEU 36 2HD1 LEU 36 -2.158 -0.083 0.978 126 HD13 LEU 36 3HD1 LEU 36 -2.687 1.426 0.219 127 HD21 LEU 36 3HD2 LEU 36 -4.553 0.163 -0.784 128 HD22 LEU 36 1HD2 LEU 36 -4.242 -1.360 0.077 129 HD23 LEU 36 2HD2 LEU 36 -5.820 -0.537 0.222 130 H ARG 37 H ARG 37 -5.681 -0.290 5.380 131 HA ARG 37 HA ARG 37 -4.708 -2.553 6.752 132 HB2 ARG 37 1HB ARG 37 -4.904 -0.327 7.748 133 HB3 ARG 37 2HB ARG 37 -6.666 -0.408 7.679 134 HG2 ARG 37 1HG ARG 37 -6.672 -2.303 9.277 135 HG3 ARG 37 2HG ARG 37 -4.901 -2.281 9.310 136 HD2 ARG 37 1HD ARG 37 -5.029 0.110 10.103 137 HD3 ARG 37 2HD ARG 37 -6.783 -0.053 10.174 138 HE ARG 37 HE ARG 37 -4.793 -1.141 12.031 139 HH11 ARG 37 1HH1 ARG 37 -8.175 -1.460 11.022 140 HH12 ARG 37 2HH1 ARG 37 -8.635 -2.230 12.511 141 HH21 ARG 37 1HH2 ARG 37 -5.461 -2.135 13.918 142 HH22 ARG 37 2HH2 ARG 37 -7.120 -2.606 14.120 143 H GLU 38 H GLU 38 -8.084 -1.795 5.902 144 HA GLU 38 HA GLU 38 -9.319 -3.943 7.189 145 HB2 GLU 38 1HB GLU 38 -10.214 -1.831 5.732 146 HB3 GLU 38 2HB GLU 38 -10.404 -3.093 4.510 147 HG2 GLU 38 1HG GLU 38 -11.688 -4.432 6.210 148 HG3 GLU 38 2HG GLU 38 -11.486 -3.091 7.348 149 H TYR 39 H TYR 39 -7.727 -3.899 3.993 150 HA TYR 39 HA TYR 39 -8.454 -6.676 3.359 151 HB2 TYR 39 1HB TYR 39 -8.286 -4.818 1.701 152 HB3 TYR 39 2HB TYR 39 -6.549 -4.756 1.976 153 HD1 TYR 39 1HD TYR 39 -9.346 -6.990 0.883 154 HD2 TYR 39 2HD TYR 39 -5.084 -6.334 0.889 155 HE1 TYR 39 1HE TYR 39 -9.048 -8.917 -0.661 156 HE2 TYR 39 2HE TYR 39 -4.780 -8.243 -0.654 157 HH TYR 39 HH TYR 39 -5.829 -10.019 -1.756 158 H PHE 40 H PHE 40 -5.570 -4.932 4.480 159 HA PHE 40 HA PHE 40 -3.903 -7.295 4.210 160 HB2 PHE 40 1HB PHE 40 -3.381 -4.401 4.815 161 HB3 PHE 40 2HB PHE 40 -2.146 -5.581 5.131 162 HD1 PHE 40 2HD PHE 40 -1.667 -7.339 3.177 163 HD2 PHE 40 1HD PHE 40 -3.654 -3.569 2.552 164 HE1 PHE 40 2HE PHE 40 -1.222 -7.498 0.744 165 HE2 PHE 40 1HE PHE 40 -3.214 -3.734 0.128 166 HZ PHE 40 HZ PHE 40 -1.995 -5.702 -0.787 167 H GLY 41 H GLY 41 -5.729 -6.016 6.829 168 HA2 GLY 41 1HA GLY 41 -4.359 -7.249 9.014 169 HA3 GLY 41 2HA GLY 41 -6.094 -6.879 8.930 170 H GLN 42 H GLN 42 -5.872 -8.770 6.352 171 HA GLN 42 HA GLN 42 -6.669 -11.274 7.597 172 HB2 GLN 42 1HB GLN 42 -5.841 -10.677 4.720 173 HB3 GLN 42 2HB GLN 42 -6.697 -12.112 5.287 174 HG2 GLN 42 1HG GLN 42 -8.623 -10.663 5.971 175 HG3 GLN 42 2HG GLN 42 -7.771 -9.264 5.321 176 HE21 GLN 42 2HE2 GLN 42 -7.278 -9.261 2.949 177 HE22 GLN 42 1HE2 GLN 42 -8.352 -10.159 1.878 178 H PHE 43 H PHE 43 -3.604 -9.934 6.523 179 HA PHE 43 HA PHE 43 -2.280 -12.598 6.552 180 HB2 PHE 43 1HB PHE 43 -1.278 -9.922 5.516 181 HB3 PHE 43 2HB PHE 43 -0.536 -11.487 5.271 182 HD1 PHE 43 2HD PHE 43 -1.684 -13.207 3.789 183 HD2 PHE 43 1HD PHE 43 -3.141 -9.190 4.168 184 HE1 PHE 43 2HE PHE 43 -3.024 -13.506 1.730 185 HE2 PHE 43 1HE PHE 43 -4.495 -9.472 2.106 186 HZ PHE 43 HZ PHE 43 -4.446 -11.650 0.888 187 H GLY 44 H GLY 44 -2.241 -9.488 8.223 188 HA2 GLY 44 1HA GLY 44 -1.097 -10.488 10.606 189 HA3 GLY 44 2HA GLY 44 0.200 -9.744 9.688 190 H GLU 45 H GLU 45 -0.480 -8.711 12.143 191 HA GLU 45 HA GLU 45 -2.327 -6.490 11.965 192 HB2 GLU 45 1HB GLU 45 -1.698 -7.583 14.085 193 HB3 GLU 45 2HB GLU 45 -0.046 -6.971 13.925 194 HG2 GLU 45 1HG GLU 45 -0.827 -4.665 14.107 195 HG3 GLU 45 2HG GLU 45 -2.512 -5.177 13.990 196 H VAL 46 H VAL 46 -2.015 -4.562 10.979 197 HA VAL 46 HA VAL 46 0.563 -4.028 9.732 198 HB VAL 46 HB VAL 46 -0.418 -2.452 8.372 199 HG11 VAL 46 1HG1 VAL 46 -1.103 -4.801 7.884 200 HG12 VAL 46 2HG1 VAL 46 -2.631 -4.501 8.749 201 HG13 VAL 46 3HG1 VAL 46 -2.244 -3.586 7.286 202 HG21 VAL 46 3HG2 VAL 46 -2.787 -1.656 8.630 203 HG22 VAL 46 1HG2 VAL 46 -2.733 -2.258 10.300 204 HG23 VAL 46 2HG2 VAL 46 -1.610 -0.977 9.747 205 H LYS 47 H LYS 47 1.789 -2.232 9.927 206 HA LYS 47 HA LYS 47 1.820 -0.934 12.602 207 HB2 LYS 47 1HB LYS 47 3.606 -2.439 11.756 208 HB3 LYS 47 2HB LYS 47 3.958 -1.306 10.459 209 HG2 LYS 47 1HG LYS 47 4.724 0.376 12.030 210 HG3 LYS 47 2HG LYS 47 4.127 -0.568 13.407 211 HD2 LYS 47 1HD LYS 47 5.761 -2.368 12.869 212 HD3 LYS 47 2HD LYS 47 6.367 -1.400 11.506 213 HE2 LYS 47 1HE LYS 47 6.992 0.420 13.080 214 HE3 LYS 47 2HE LYS 47 6.358 -0.522 14.435 215 HZ1 LYS 47 3HZ LYS 47 8.759 -0.763 14.240 216 HZ2 LYS 47 1HZ LYS 47 8.050 -2.208 13.972 217 HZ3 LYS 47 2HZ LYS 47 8.640 -1.339 12.717 218 H GLU 48 H GLU 48 1.214 -0.117 9.350 219 HA GLU 48 HA GLU 48 1.334 2.798 9.909 220 HB2 GLU 48 1HB GLU 48 3.578 2.018 9.168 221 HB3 GLU 48 2HB GLU 48 2.874 1.541 7.623 222 HG2 GLU 48 1HG GLU 48 2.381 3.839 7.066 223 HG3 GLU 48 2HG GLU 48 2.761 4.373 8.711 224 H CYS 49 H CYS 49 1.143 1.234 6.779 225 HA CYS 49 HA CYS 49 -0.354 1.185 5.092 226 HB2 CYS 49 1HB CYS 49 -2.467 1.827 7.159 227 HB3 CYS 49 2HB CYS 49 -2.795 1.696 5.427 228 HG CYS 49 HG CYS 49 -1.305 -0.536 7.348 229 H LEU 50 H LEU 50 -0.427 2.572 3.443 230 HA LEU 50 HA LEU 50 -1.024 5.459 3.816 231 HB2 LEU 50 1HB LEU 50 1.546 4.255 2.742 232 HB3 LEU 50 2HB LEU 50 1.020 5.853 2.257 233 HG LEU 50 HG LEU 50 1.689 5.057 5.113 234 HD11 LEU 50 1HD1 LEU 50 3.647 5.064 3.599 235 HD12 LEU 50 2HD1 LEU 50 3.243 6.708 3.055 236 HD13 LEU 50 3HD1 LEU 50 3.721 6.411 4.743 237 HD21 LEU 50 3HD2 LEU 50 1.640 7.523 5.511 238 HD22 LEU 50 1HD2 LEU 50 1.046 7.769 3.854 239 HD23 LEU 50 2HD2 LEU 50 0.050 6.910 5.052 240 H VAL 51 H VAL 51 -1.922 6.409 2.039 241 HA VAL 51 HA VAL 51 -1.737 5.022 -0.613 242 HB VAL 51 HB VAL 51 -4.274 6.228 0.563 243 HG11 VAL 51 1HG1 VAL 51 -4.086 6.975 -1.773 244 HG12 VAL 51 2HG1 VAL 51 -3.716 5.318 -2.298 245 HG13 VAL 51 3HG1 VAL 51 -5.314 5.724 -1.644 246 HG21 VAL 51 3HG2 VAL 51 -5.240 4.005 0.028 247 HG22 VAL 51 1HG2 VAL 51 -3.652 3.446 -0.528 248 HG23 VAL 51 2HG2 VAL 51 -3.908 3.869 1.181 249 H MET 52 H MET 52 -0.989 6.300 -2.128 250 HA MET 52 HA MET 52 -0.119 9.005 -1.369 251 HB2 MET 52 1HB MET 52 0.534 7.139 -3.671 252 HB3 MET 52 2HB MET 52 1.266 8.741 -3.455 253 HG2 MET 52 1HG MET 52 1.433 6.559 -1.340 254 HG3 MET 52 2HG MET 52 2.637 6.828 -2.580 255 HE1 MET 52 3HE MET 52 2.321 8.890 1.377 256 HE2 MET 52 1HE MET 52 0.861 8.297 0.552 257 HE3 MET 52 2HE MET 52 2.205 7.181 0.900 258 H ARG 53 H ARG 53 -2.702 9.216 -1.528 259 HA ARG 53 HA ARG 53 -3.758 9.798 -4.121 260 HB2 ARG 53 1HB ARG 53 -5.795 10.463 -2.935 261 HB3 ARG 53 2HB ARG 53 -5.153 8.947 -2.314 262 HG2 ARG 53 1HG ARG 53 -4.031 10.387 -0.456 263 HG3 ARG 53 2HG ARG 53 -5.111 11.683 -1.001 264 HD2 ARG 53 1HD ARG 53 -7.068 10.311 -0.542 265 HD3 ARG 53 2HD ARG 53 -6.073 8.906 -0.165 266 HE ARG 53 HE ARG 53 -6.705 11.135 1.581 267 HH11 ARG 53 1HH1 ARG 53 -4.157 8.729 1.050 268 HH12 ARG 53 2HH1 ARG 53 -3.744 8.648 2.730 269 HH21 ARG 53 1HH2 ARG 53 -6.062 11.057 3.722 270 HH22 ARG 53 2HH2 ARG 53 -4.764 10.011 4.209 271 H ASP 54 H ASP 54 -4.456 11.706 -5.024 272 HA ASP 54 HA ASP 54 -2.932 14.156 -4.370 273 HB2 ASP 54 1HB ASP 54 -4.869 13.440 -6.597 274 HB3 ASP 54 2HB ASP 54 -4.179 15.047 -6.385 275 HA PRO 55 HA PRO 55 -6.447 15.418 -1.876 276 HB2 PRO 55 1HB PRO 55 -5.622 17.876 -1.008 277 HB3 PRO 55 2HB PRO 55 -4.903 16.339 -0.440 278 HG2 PRO 55 1HG PRO 55 -3.871 18.186 -2.613 279 HG3 PRO 55 2HG PRO 55 -2.960 17.463 -1.251 280 HD2 PRO 55 1HD PRO 55 -2.955 16.369 -3.756 281 HD3 PRO 55 2HD PRO 55 -2.904 15.350 -2.285 282 H LEU 56 H LEU 56 -5.510 17.082 -4.795 283 HA LEU 56 HA LEU 56 -7.673 19.031 -4.806 284 HB2 LEU 56 1HB LEU 56 -5.661 17.994 -6.847 285 HB3 LEU 56 2HB LEU 56 -6.961 19.049 -7.333 286 HG LEU 56 HG LEU 56 -4.898 20.267 -7.044 287 HD11 LEU 56 1HD1 LEU 56 -7.067 21.415 -6.667 288 HD12 LEU 56 2HD1 LEU 56 -6.916 21.111 -4.922 289 HD13 LEU 56 3HD1 LEU 56 -5.736 22.141 -5.750 290 HD21 LEU 56 3HD2 LEU 56 -3.824 20.672 -4.925 291 HD22 LEU 56 1HD2 LEU 56 -5.024 19.700 -4.059 292 HD23 LEU 56 2HD2 LEU 56 -3.890 18.922 -5.195 293 H THR 57 H THR 57 -7.407 15.706 -5.818 294 HA THR 57 HA THR 57 -10.143 15.750 -7.054 295 HB THR 57 HB THR 57 -9.263 14.183 -8.748 296 HG1 THR 57 1HG THR 57 -6.930 14.023 -8.830 297 HG21 THR 57 3HG2 THR 57 -8.005 15.729 -10.098 298 HG22 THR 57 1HG2 THR 57 -9.230 16.653 -9.213 299 HG23 THR 57 2HG2 THR 57 -7.533 16.692 -8.684 300 H LYS 58 H LYS 58 -8.154 14.287 -4.742 301 HA LYS 58 HA LYS 58 -8.238 12.519 -3.397 302 HB2 LYS 58 1HB LYS 58 -11.177 12.551 -4.180 303 HB3 LYS 58 2HB LYS 58 -10.510 11.385 -3.056 304 HG2 LYS 58 1HG LYS 58 -11.486 13.164 -1.829 305 HG3 LYS 58 2HG LYS 58 -9.750 13.152 -1.546 306 HD2 LYS 58 1HD LYS 58 -9.444 15.104 -2.969 307 HD3 LYS 58 2HD LYS 58 -11.140 15.076 -3.474 308 HE2 LYS 58 1HE LYS 58 -10.157 15.483 -0.607 309 HE3 LYS 58 2HE LYS 58 -10.499 16.801 -1.728 310 HZ1 LYS 58 3HZ LYS 58 -12.398 16.376 -0.309 311 HZ2 LYS 58 1HZ LYS 58 -12.802 16.028 -1.852 312 HZ3 LYS 58 2HZ LYS 58 -12.500 14.820 -0.789 313 H ARG 59 H ARG 59 -8.021 12.148 -6.557 314 HA ARG 59 HA ARG 59 -8.256 9.318 -7.040 315 HB2 ARG 59 1HB ARG 59 -6.387 11.440 -8.179 316 HB3 ARG 59 2HB ARG 59 -6.447 9.779 -8.763 317 HG2 ARG 59 1HG ARG 59 -8.809 11.698 -8.790 318 HG3 ARG 59 2HG ARG 59 -7.741 11.348 -10.161 319 HD2 ARG 59 1HD ARG 59 -8.422 8.898 -9.919 320 HD3 ARG 59 2HD ARG 59 -9.637 9.438 -8.756 321 HE ARG 59 HE ARG 59 -10.900 10.408 -10.445 322 HH11 ARG 59 1HH1 ARG 59 -7.879 9.247 -11.883 323 HH12 ARG 59 2HH1 ARG 59 -8.511 9.349 -13.499 324 HH21 ARG 59 1HH2 ARG 59 -11.637 10.524 -12.553 325 HH22 ARG 59 2HH2 ARG 59 -10.593 10.081 -13.869 326 H SER 60 H SER 60 -7.196 7.702 -6.312 327 HA SER 60 HA SER 60 -5.146 7.900 -4.295 328 HB2 SER 60 1HB SER 60 -5.301 5.510 -4.201 329 HB3 SER 60 2HB SER 60 -6.938 6.131 -4.498 330 HG SER 60 HG SER 60 -6.566 4.446 -5.916 331 H ARG 61 H ARG 61 -4.759 8.127 -7.613 332 HA ARG 61 HA ARG 61 -3.118 7.856 -9.142 333 HB2 ARG 61 1HB ARG 61 -1.209 7.621 -6.772 334 HB3 ARG 61 2HB ARG 61 -0.726 7.677 -8.460 335 HG2 ARG 61 1HG ARG 61 -1.774 9.904 -8.724 336 HG3 ARG 61 2HG ARG 61 -2.250 9.876 -7.020 337 HD2 ARG 61 1HD ARG 61 -0.227 11.207 -7.281 338 HD3 ARG 61 2HD ARG 61 0.115 9.751 -6.341 339 HE ARG 61 HE ARG 61 0.663 9.666 -9.253 340 HH11 ARG 61 1HH1 ARG 61 2.160 10.046 -6.033 341 HH12 ARG 61 2HH1 ARG 61 3.684 9.404 -6.643 342 HH21 ARG 61 1HH2 ARG 61 2.748 8.892 -9.845 343 HH22 ARG 61 2HH2 ARG 61 3.986 8.833 -8.595 344 H GLY 62 H GLY 62 -4.346 5.401 -7.440 345 HA2 GLY 62 1HA GLY 62 -4.589 3.183 -7.985 346 HA3 GLY 62 2HA GLY 62 -3.369 3.359 -9.267 347 H PHE 63 H PHE 63 -2.303 4.366 -6.078 348 HA PHE 63 HA PHE 63 -1.367 1.729 -5.350 349 HB2 PHE 63 1HB PHE 63 0.904 1.883 -5.759 350 HB3 PHE 63 2HB PHE 63 0.229 2.563 -7.219 351 HD1 PHE 63 2HD PHE 63 0.141 5.149 -7.418 352 HD2 PHE 63 1HD PHE 63 2.333 3.105 -4.319 353 HE1 PHE 63 2HE PHE 63 1.386 7.227 -6.917 354 HE2 PHE 63 1HE PHE 63 3.623 5.169 -3.877 355 HZ PHE 63 HZ PHE 63 3.131 7.242 -5.122 356 H GLY 64 H GLY 64 -0.056 1.614 -3.474 357 HA2 GLY 64 1HA GLY 64 0.332 3.942 -1.723 358 HA3 GLY 64 2HA GLY 64 -0.864 2.792 -1.152 359 H PHE 65 H PHE 65 0.436 2.374 0.660 360 HA PHE 65 HA PHE 65 2.527 0.320 0.282 361 HB2 PHE 65 1HB PHE 65 2.939 2.949 1.750 362 HB3 PHE 65 2HB PHE 65 3.886 1.527 2.092 363 HD1 PHE 65 2HD PHE 65 3.171 4.123 -0.494 364 HD2 PHE 65 1HD PHE 65 5.669 0.798 0.691 365 HE1 PHE 65 2HE PHE 65 4.877 4.796 -2.146 366 HE2 PHE 65 1HE PHE 65 7.374 1.500 -0.956 367 HZ PHE 65 HZ PHE 65 6.982 3.522 -2.373 368 H VAL 66 H VAL 66 2.785 -1.036 2.080 369 HA VAL 66 HA VAL 66 1.227 -0.475 4.555 370 HB VAL 66 HB VAL 66 0.959 -3.093 3.017 371 HG11 VAL 66 1HG1 VAL 66 1.111 -3.615 5.411 372 HG12 VAL 66 2HG1 VAL 66 -0.046 -2.326 5.796 373 HG13 VAL 66 3HG1 VAL 66 -0.567 -3.761 4.895 374 HG21 VAL 66 3HG2 VAL 66 -1.476 -2.536 3.085 375 HG22 VAL 66 1HG2 VAL 66 -1.083 -0.964 3.803 376 HG23 VAL 66 2HG2 VAL 66 -0.545 -1.350 2.172 377 H THR 67 H THR 67 2.274 -0.910 6.296 378 HA THR 67 HA THR 67 4.821 -2.482 6.298 379 HB THR 67 HB THR 67 3.999 -0.330 8.278 380 HG1 THR 67 1HG THR 67 5.049 1.128 6.982 381 HG21 THR 67 3HG2 THR 67 6.397 -0.238 8.769 382 HG22 THR 67 1HG2 THR 67 5.837 -1.911 8.965 383 HG23 THR 67 2HG2 THR 67 6.733 -1.449 7.514 384 H PHE 68 H PHE 68 5.020 -4.035 7.918 385 HA PHE 68 HA PHE 68 2.524 -4.693 9.451 386 HB2 PHE 68 1HB PHE 68 4.629 -6.493 8.214 387 HB3 PHE 68 2HB PHE 68 3.366 -7.044 9.304 388 HD1 PHE 68 1HD PHE 68 4.018 -5.670 5.914 389 HD2 PHE 68 2HD PHE 68 1.067 -7.293 8.607 390 HE1 PHE 68 1HE PHE 68 2.473 -6.035 4.003 391 HE2 PHE 68 2HE PHE 68 -0.483 -7.634 6.700 392 HZ PHE 68 HZ PHE 68 0.226 -7.016 4.395 393 H MET 69 H MET 69 2.693 -5.570 11.518 394 HA MET 69 HA MET 69 4.846 -4.625 13.209 395 HB2 MET 69 1HB MET 69 2.570 -6.585 13.703 396 HB3 MET 69 2HB MET 69 3.654 -5.982 14.958 397 HG2 MET 69 1HG MET 69 1.813 -4.244 13.269 398 HG3 MET 69 2HG MET 69 1.511 -4.795 14.911 399 HE1 MET 69 3HE MET 69 1.972 -1.092 15.667 400 HE2 MET 69 1HE MET 69 1.018 -1.968 14.448 401 HE3 MET 69 2HE MET 69 1.119 -2.586 16.107 402 H ASP 70 H ASP 70 4.606 -7.430 11.266 403 HA ASP 70 HA ASP 70 7.233 -8.331 12.117 404 HB2 ASP 70 1HB ASP 70 5.556 -9.558 13.640 405 HB3 ASP 70 2HB ASP 70 4.979 -10.363 12.174 406 H GLN 71 H GLN 71 8.180 -9.785 10.590 407 HA GLN 71 HA GLN 71 7.558 -9.256 7.851 408 HB2 GLN 71 1HB GLN 71 9.804 -9.773 8.888 409 HB3 GLN 71 2HB GLN 71 9.267 -11.428 9.123 410 HG2 GLN 71 1HG GLN 71 10.705 -11.279 7.160 411 HG3 GLN 71 2HG GLN 71 9.088 -11.733 6.661 412 HE21 GLN 71 2HE2 GLN 71 10.214 -10.981 4.524 413 HE22 GLN 71 1HE2 GLN 71 10.008 -9.281 4.137 414 H ALA 72 H ALA 72 6.489 -11.816 10.035 415 HA ALA 72 HA ALA 72 5.831 -13.810 8.160 416 HB1 ALA 72 1HB ALA 72 5.887 -14.119 10.616 417 HB2 ALA 72 2HB ALA 72 4.425 -13.109 10.771 418 HB3 ALA 72 3HB ALA 72 4.349 -14.667 9.918 419 H GLY 73 H GLY 73 4.119 -10.769 8.643 420 HA2 GLY 73 1HA GLY 73 1.820 -11.758 7.032 421 HA3 GLY 73 2HA GLY 73 1.987 -10.135 7.715 422 H VAL 74 H VAL 74 4.852 -10.150 6.511 423 HA VAL 74 HA VAL 74 4.201 -9.091 3.847 424 HB VAL 74 HB VAL 74 6.872 -9.642 5.202 425 HG11 VAL 74 1HG1 VAL 74 7.249 -9.860 2.821 426 HG12 VAL 74 2HG1 VAL 74 6.371 -8.353 2.499 427 HG13 VAL 74 3HG1 VAL 74 7.909 -8.321 3.378 428 HG21 VAL 74 3HG2 VAL 74 7.061 -7.193 5.330 429 HG22 VAL 74 1HG2 VAL 74 5.459 -7.023 4.589 430 HG23 VAL 74 2HG2 VAL 74 5.639 -7.754 6.204 431 H ASP 75 H ASP 75 5.799 -11.982 5.256 432 HA ASP 75 HA ASP 75 6.474 -13.440 3.008 433 HB2 ASP 75 1HB ASP 75 6.921 -13.983 5.428 434 HB3 ASP 75 2HB ASP 75 5.260 -14.520 5.588 435 H LYS 76 H LYS 76 3.269 -13.549 4.656 436 HA LYS 76 HA LYS 76 2.105 -15.464 2.894 437 HB2 LYS 76 1HB LYS 76 0.809 -13.276 4.571 438 HB3 LYS 76 2HB LYS 76 -0.049 -14.631 3.798 439 HG2 LYS 76 1HG LYS 76 1.195 -16.249 5.160 440 HG3 LYS 76 2HG LYS 76 2.085 -14.926 5.929 441 HD2 LYS 76 1HD LYS 76 -0.269 -13.947 6.521 442 HD3 LYS 76 2HD LYS 76 -0.911 -15.510 6.011 443 HE2 LYS 76 1HE LYS 76 -0.724 -15.771 8.310 444 HE3 LYS 76 2HE LYS 76 0.759 -16.536 7.717 445 HZ1 LYS 76 3HZ LYS 76 1.195 -15.015 9.574 446 HZ2 LYS 76 1HZ LYS 76 1.921 -14.440 8.213 447 HZ3 LYS 76 2HZ LYS 76 0.533 -13.755 8.750 448 H VAL 77 H VAL 77 2.269 -11.941 2.609 449 HA VAL 77 HA VAL 77 0.368 -11.781 0.416 450 HB VAL 77 HB VAL 77 2.452 -9.789 1.332 451 HG11 VAL 77 1HG1 VAL 77 1.832 -9.239 -0.996 452 HG12 VAL 77 2HG1 VAL 77 0.108 -9.361 -0.581 453 HG13 VAL 77 3HG1 VAL 77 1.113 -8.072 0.112 454 HG21 VAL 77 3HG2 VAL 77 0.553 -8.643 2.415 455 HG22 VAL 77 1HG2 VAL 77 -0.588 -9.830 1.746 456 HG23 VAL 77 2HG2 VAL 77 0.577 -10.319 2.977 457 H LEU 78 H LEU 78 3.899 -12.269 0.575 458 HA LEU 78 HA LEU 78 4.291 -12.102 -2.319 459 HB2 LEU 78 1HB LEU 78 5.940 -13.430 -0.135 460 HB3 LEU 78 2HB LEU 78 6.503 -13.037 -1.755 461 HG LEU 78 HG LEU 78 5.578 -10.921 0.245 462 HD11 LEU 78 1HD1 LEU 78 7.394 -12.221 1.160 463 HD12 LEU 78 2HD1 LEU 78 8.339 -12.049 -0.336 464 HD13 LEU 78 3HD1 LEU 78 8.008 -10.618 0.679 465 HD21 LEU 78 3HD2 LEU 78 6.881 -9.394 -1.199 466 HD22 LEU 78 1HD2 LEU 78 7.160 -10.722 -2.348 467 HD23 LEU 78 2HD2 LEU 78 5.507 -10.120 -2.043 468 H ALA 79 H ALA 79 3.799 -14.711 0.052 469 HA ALA 79 HA ALA 79 4.215 -16.845 -1.751 470 HB1 ALA 79 1HB ALA 79 4.412 -17.012 0.703 471 HB2 ALA 79 2HB ALA 79 2.655 -16.785 0.870 472 HB3 ALA 79 3HB ALA 79 3.295 -18.235 0.073 473 H GLN 80 H GLN 80 1.343 -14.905 -1.311 474 HA GLN 80 HA GLN 80 -0.442 -16.843 -2.653 475 HB2 GLN 80 1HB GLN 80 -1.243 -15.613 -0.707 476 HB3 GLN 80 2HB GLN 80 -0.920 -14.068 -1.497 477 HG2 GLN 80 1HG GLN 80 -2.614 -14.511 -3.190 478 HG3 GLN 80 2HG GLN 80 -2.849 -16.160 -2.605 479 HE21 GLN 80 2HE2 GLN 80 -4.505 -13.404 -2.718 480 HE22 GLN 80 1HE2 GLN 80 -5.329 -13.496 -1.158 481 H SER 81 H SER 81 -1.137 -16.703 -4.756 482 HA SER 81 HA SER 81 0.588 -15.241 -6.536 483 HB2 SER 81 1HB SER 81 -1.804 -16.979 -7.216 484 HB3 SER 81 2HB SER 81 -0.432 -16.593 -8.260 485 HG SER 81 HG SER 81 0.913 -17.823 -6.884 486 H ARG 82 H ARG 82 -2.455 -14.271 -5.289 487 HA ARG 82 HA ARG 82 -2.698 -12.046 -7.140 488 HB2 ARG 82 1HB ARG 82 -3.672 -13.960 -8.461 489 HB3 ARG 82 2HB ARG 82 -4.898 -14.160 -7.206 490 HG2 ARG 82 1HG ARG 82 -5.777 -11.902 -7.676 491 HG3 ARG 82 2HG ARG 82 -4.447 -11.601 -8.814 492 HD2 ARG 82 1HD ARG 82 -5.272 -13.444 -10.247 493 HD3 ARG 82 2HD ARG 82 -6.607 -13.729 -9.109 494 HE ARG 82 HE ARG 82 -6.735 -11.009 -9.804 495 HH11 ARG 82 1HH1 ARG 82 -7.120 -14.078 -11.532 496 HH12 ARG 82 2HH1 ARG 82 -8.142 -13.361 -12.741 497 HH21 ARG 82 1HH2 ARG 82 -8.004 -10.159 -11.374 498 HH22 ARG 82 2HH2 ARG 82 -8.655 -11.159 -12.650 499 H HIS 83 H HIS 83 -4.116 -10.450 -6.440 500 HA HIS 83 HA HIS 83 -5.652 -10.789 -3.924 501 HB2 HIS 83 1HB HIS 83 -3.426 -8.769 -4.433 502 HB3 HIS 83 2HB HIS 83 -4.523 -8.692 -3.060 503 HD1 HIS 83 1HD HIS 83 -3.852 -10.317 -0.975 504 HD2 HIS 83 2HD HIS 83 -1.512 -10.654 -4.453 505 HE1 HIS 83 1HE HIS 83 -1.867 -11.771 -0.362 506 H GLU 84 H GLU 84 -7.305 -9.097 -3.670 507 HA GLU 84 HA GLU 84 -7.753 -7.228 -5.916 508 HB2 GLU 84 1HB GLU 84 -8.654 -9.499 -6.607 509 HB3 GLU 84 2HB GLU 84 -9.775 -9.397 -5.245 510 HG2 GLU 84 1HG GLU 84 -10.582 -7.171 -6.262 511 HG3 GLU 84 2HG GLU 84 -9.611 -7.579 -7.680 512 H LEU 85 H LEU 85 -8.607 -5.407 -5.191 513 HA LEU 85 HA LEU 85 -10.259 -5.317 -2.728 514 HB2 LEU 85 1HB LEU 85 -7.981 -5.068 -1.924 515 HB3 LEU 85 2HB LEU 85 -7.621 -3.872 -3.177 516 HG LEU 85 HG LEU 85 -9.187 -2.270 -2.107 517 HD11 LEU 85 1HD1 LEU 85 -10.808 -3.700 -1.013 518 HD12 LEU 85 2HD1 LEU 85 -9.546 -4.503 -0.063 519 HD13 LEU 85 3HD1 LEU 85 -9.956 -2.808 0.259 520 HD21 LEU 85 3HD2 LEU 85 -7.794 -1.825 -0.119 521 HD22 LEU 85 1HD2 LEU 85 -7.091 -3.453 -0.234 522 HD23 LEU 85 2HD2 LEU 85 -6.800 -2.263 -1.521 523 H ASP 86 H ASP 86 -11.939 -4.057 -3.022 524 HA ASP 86 HA ASP 86 -13.516 -2.808 -4.008 525 HB2 ASP 86 1HB ASP 86 -11.970 -1.026 -3.160 526 HB3 ASP 86 2HB ASP 86 -11.295 -0.890 -4.782 527 H SER 87 H SER 87 -12.836 -4.936 -5.494 528 HA SER 87 HA SER 87 -13.187 -5.943 -7.493 529 HB2 SER 87 1HB SER 87 -14.420 -3.313 -8.374 530 HB3 SER 87 2HB SER 87 -14.632 -4.896 -9.128 531 HG SER 87 HG SER 87 -16.370 -4.361 -7.702 532 H LYS 88 H LYS 88 -10.633 -4.348 -7.102 533 HA LYS 88 HA LYS 88 -9.683 -4.365 -9.943 534 HB2 LYS 88 1HB LYS 88 -9.436 -2.299 -7.768 535 HB3 LYS 88 2HB LYS 88 -7.986 -2.608 -8.703 536 HG2 LYS 88 1HG LYS 88 -10.580 -2.151 -10.190 537 HG3 LYS 88 2HG LYS 88 -9.746 -0.772 -9.465 538 HD2 LYS 88 1HD LYS 88 -7.792 -1.068 -10.748 539 HD3 LYS 88 2HD LYS 88 -8.236 -2.706 -11.258 540 HE2 LYS 88 1HE LYS 88 -9.922 -1.951 -12.733 541 HE3 LYS 88 2HE LYS 88 -9.978 -0.342 -12.025 542 HZ1 LYS 88 3HZ LYS 88 -8.742 -0.411 -14.164 543 HZ2 LYS 88 1HZ LYS 88 -7.758 0.090 -12.959 544 HZ3 LYS 88 2HZ LYS 88 -7.629 -1.423 -13.512 545 H THR 89 H THR 89 -8.044 -5.718 -10.300 546 HA THR 89 HA THR 89 -6.968 -7.423 -8.175 547 HB THR 89 HB THR 89 -6.264 -7.183 -11.128 548 HG1 THR 89 1HG THR 89 -8.364 -7.993 -10.499 549 HG21 THR 89 3HG2 THR 89 -5.185 -9.405 -10.802 550 HG22 THR 89 1HG2 THR 89 -4.339 -8.134 -9.912 551 HG23 THR 89 2HG2 THR 89 -5.415 -9.249 -9.043 552 H ILE 90 H ILE 90 -5.289 -6.960 -6.930 553 HA ILE 90 HA ILE 90 -3.670 -4.530 -7.580 554 HB ILE 90 HB ILE 90 -3.260 -4.218 -5.269 555 HG12 ILE 90 1HG1 ILE 90 -4.825 -6.727 -4.630 556 HG13 ILE 90 2HG1 ILE 90 -3.062 -6.553 -4.553 557 HG21 ILE 90 1HG2 ILE 90 -5.450 -3.414 -6.249 558 HG22 ILE 90 2HG2 ILE 90 -6.230 -4.861 -5.575 559 HG23 ILE 90 3HG2 ILE 90 -5.520 -3.668 -4.501 560 HD11 ILE 90 3HD1 ILE 90 -3.839 -6.298 -2.339 561 HD12 ILE 90 1HD1 ILE 90 -3.386 -4.674 -2.901 562 HD13 ILE 90 2HD1 ILE 90 -5.100 -5.147 -2.815 563 H ASP 91 H ASP 91 -1.452 -4.490 -6.971 564 HA ASP 91 HA ASP 91 -0.033 -7.107 -7.326 565 HB2 ASP 91 1HB ASP 91 -0.300 -5.975 -9.473 566 HB3 ASP 91 2HB ASP 91 0.400 -4.501 -8.802 567 HA PRO 92 HA PRO 92 1.910 -4.810 -3.898 568 HB2 PRO 92 1HB PRO 92 1.804 -6.833 -1.996 569 HB3 PRO 92 2HB PRO 92 0.592 -5.553 -2.238 570 HG2 PRO 92 1HG PRO 92 0.322 -8.411 -2.872 571 HG3 PRO 92 2HG PRO 92 -0.927 -7.123 -2.818 572 HD2 PRO 92 1HD PRO 92 0.434 -8.258 -5.128 573 HD3 PRO 92 2HD PRO 92 -0.940 -7.135 -5.059 574 H LYS 93 H LYS 93 3.989 -4.844 -3.238 575 HA LYS 93 HA LYS 93 5.856 -6.979 -4.186 576 HB2 LYS 93 1HB LYS 93 6.083 -3.984 -4.732 577 HB3 LYS 93 2HB LYS 93 7.195 -5.234 -5.298 578 HG2 LYS 93 1HG LYS 93 5.401 -6.119 -6.783 579 HG3 LYS 93 2HG LYS 93 4.315 -4.852 -6.174 580 HD2 LYS 93 1HD LYS 93 6.208 -3.181 -6.883 581 HD3 LYS 93 2HD LYS 93 6.801 -4.529 -7.884 582 HE2 LYS 93 1HE LYS 93 4.586 -4.694 -8.960 583 HE3 LYS 93 2HE LYS 93 3.947 -3.485 -7.843 584 HZ1 LYS 93 3HZ LYS 93 4.416 -2.402 -9.871 585 HZ2 LYS 93 1HZ LYS 93 5.563 -1.889 -8.831 586 HZ3 LYS 93 2HZ LYS 93 5.946 -3.003 -9.977 587 H VAL 94 H VAL 94 8.060 -6.703 -3.266 588 HA VAL 94 HA VAL 94 8.149 -5.771 -0.512 589 HB VAL 94 HB VAL 94 10.446 -6.459 -2.393 590 HG11 VAL 94 1HG1 VAL 94 11.286 -5.059 -0.555 591 HG12 VAL 94 2HG1 VAL 94 10.417 -6.055 0.637 592 HG13 VAL 94 3HG1 VAL 94 11.775 -6.732 -0.288 593 HG21 VAL 94 3HG2 VAL 94 10.509 -8.596 -1.105 594 HG22 VAL 94 1HG2 VAL 94 9.039 -8.104 -0.237 595 HG23 VAL 94 2HG2 VAL 94 8.997 -8.403 -1.989 596 H ALA 95 H ALA 95 8.703 -3.797 0.299 597 HA ALA 95 HA ALA 95 8.670 -1.536 -1.542 598 HB1 ALA 95 1HB ALA 95 7.407 -1.513 0.565 599 HB2 ALA 95 2HB ALA 95 8.914 -1.692 1.491 600 HB3 ALA 95 3HB ALA 95 8.612 -0.216 0.554 601 H PHE 96 H PHE 96 10.263 -0.171 -2.114 602 HA PHE 96 HA PHE 96 13.041 -0.664 -1.678 603 HB2 PHE 96 1HB PHE 96 11.635 1.924 -2.440 604 HB3 PHE 96 2HB PHE 96 13.339 1.598 -2.658 605 HD1 PHE 96 1HD PHE 96 12.625 -1.443 -3.724 606 HD2 PHE 96 2HD PHE 96 11.537 2.600 -4.788 607 HE1 PHE 96 1HE PHE 96 12.176 -2.167 -6.041 608 HE2 PHE 96 2HE PHE 96 11.092 1.862 -7.110 609 HZ PHE 96 HZ PHE 96 11.402 -0.525 -7.742 610 HA PRO 97 HA PRO 97 14.097 0.969 2.261 611 HB2 PRO 97 1HB PRO 97 16.057 2.802 0.862 612 HB3 PRO 97 2HB PRO 97 16.312 1.778 2.312 613 HG2 PRO 97 1HG PRO 97 17.177 0.914 -0.091 614 HG3 PRO 97 2HG PRO 97 16.295 -0.223 0.985 615 HD2 PRO 97 1HD PRO 97 15.233 1.345 -1.377 616 HD3 PRO 97 2HD PRO 97 14.978 -0.374 -0.949 617 H ARG 98 H ARG 98 14.273 2.861 3.693 618 HA ARG 98 HA ARG 98 12.750 5.233 2.787 619 HB2 ARG 98 1HB ARG 98 11.178 5.000 4.523 620 HB3 ARG 98 2HB ARG 98 11.219 3.470 3.654 621 HG2 ARG 98 1HG ARG 98 12.619 2.512 5.500 622 HG3 ARG 98 2HG ARG 98 12.493 4.047 6.373 623 HD2 ARG 98 1HD ARG 98 10.180 2.227 5.605 624 HD3 ARG 98 2HD ARG 98 10.887 2.395 7.220 625 HE ARG 98 HE ARG 98 10.089 4.978 6.382 626 HH11 ARG 98 1HH1 ARG 98 8.492 1.963 7.366 627 HH12 ARG 98 2HH1 ARG 98 6.943 2.774 7.532 628 HH21 ARG 98 1HH2 ARG 98 8.099 5.936 6.815 629 HH22 ARG 98 2HH2 ARG 98 6.755 4.941 7.334 630 H ARG 99 H ARG 99 12.653 6.982 4.343 631 HA ARG 99 HA ARG 99 14.719 7.071 6.466 632 HB2 ARG 99 1HB ARG 99 15.744 8.014 4.437 633 HB3 ARG 99 2HB ARG 99 14.356 9.071 4.196 634 HG2 ARG 99 1HG ARG 99 16.168 10.351 5.096 635 HG3 ARG 99 2HG ARG 99 14.887 10.264 6.303 636 HD2 ARG 99 1HD ARG 99 16.152 8.517 7.532 637 HD3 ARG 99 2HD ARG 99 17.408 8.532 6.298 638 HE ARG 99 HE ARG 99 16.940 10.504 8.430 639 HH11 ARG 99 1HH1 ARG 99 18.678 9.977 5.387 640 HH12 ARG 99 2HH1 ARG 99 19.855 11.202 5.757 641 HH21 ARG 99 1HH2 ARG 99 18.469 12.044 8.839 642 HH22 ARG 99 2HH2 ARG 99 19.742 12.355 7.685 643 H ALA 100 H ALA 100 13.900 7.810 8.260 644 HA ALA 100 HA ALA 100 11.986 10.004 8.452 645 HB1 ALA 100 1HB ALA 100 10.459 8.073 8.177 646 HB2 ALA 100 2HB ALA 100 11.292 7.209 9.490 647 HB3 ALA 100 3HB ALA 100 10.380 8.694 9.833 648 H GLN 101 H GLN 101 12.259 11.099 10.417 649 HA GLN 101 HA GLN 101 13.979 10.056 12.542 650 HB2 GLN 101 1HB GLN 101 15.575 10.554 10.760 651 HB3 GLN 101 2HB GLN 101 14.869 12.160 10.523 652 HG2 GLN 101 1HG GLN 101 15.641 12.814 12.785 653 HG3 GLN 101 2HG GLN 101 16.348 11.206 13.006 654 HE21 GLN 101 2HE2 GLN 101 18.186 13.062 13.383 655 HE22 GLN 101 1HE2 GLN 101 19.182 13.302 11.955 656 HA PRO 102 HA PRO 102 11.561 13.358 14.509 657 HB2 PRO 102 1HB PRO 102 12.658 13.345 17.007 658 HB3 PRO 102 2HB PRO 102 11.593 12.035 16.410 659 HG2 PRO 102 1HG PRO 102 14.626 12.079 16.486 660 HG3 PRO 102 2HG PRO 102 13.521 10.773 17.020 661 HD2 PRO 102 1HD PRO 102 14.724 10.775 14.556 662 HD3 PRO 102 2HD PRO 102 13.085 10.108 14.808 663 H LYS 103 H LYS 103 11.818 15.506 14.403 664 HA LYS 103 HA LYS 103 14.429 16.857 14.773 665 HB2 LYS 103 1HB LYS 103 12.805 16.973 12.194 666 HB3 LYS 103 2HB LYS 103 14.121 18.070 12.615 667 HG2 LYS 103 1HG LYS 103 15.692 16.120 12.718 668 HG3 LYS 103 2HG LYS 103 14.374 15.068 12.158 669 HD2 LYS 103 1HD LYS 103 14.159 16.420 10.094 670 HD3 LYS 103 2HD LYS 103 15.489 17.465 10.643 671 HE2 LYS 103 1HE LYS 103 17.001 15.482 10.702 672 HE3 LYS 103 2HE LYS 103 15.677 14.461 10.123 673 HZ1 LYS 103 3HZ LYS 103 17.112 15.167 8.297 674 HZ2 LYS 103 1HZ LYS 103 15.624 15.805 8.086 675 HZ3 LYS 103 2HZ LYS 103 16.850 16.744 8.622 676 H5' G 104 H5' G 104 -3.669 -0.735 -12.075 677 H5'' G 104 H5" G 104 -5.147 -0.223 -11.234 678 H4' G 104 H4' G 104 -4.210 0.723 -13.983 679 H3' G 104 H3' G 104 -3.221 1.574 -11.521 680 H2' G 104 H2' G 104 -5.257 2.286 -10.619 681 HO2' G 104 HO2 G 104 -3.998 4.368 -12.005 682 H1' G 104 H1' G 104 -6.049 3.421 -13.324 683 H8 G 104 8H G 104 -7.249 2.855 -9.868 684 H1 G 104 1H G 104 -12.072 2.866 -14.142 685 H21 G 104 1H2 G 104 -11.194 2.731 -16.216 686 H22 G 104 2H2 G 104 -9.453 2.626 -16.413 687 HO5' G 104 H5T G 104 -5.243 -2.283 -12.479 688 H5' U 105 H5' U 105 -1.713 3.117 -10.723 689 H5'' U 105 H5" U 105 -0.548 4.122 -11.586 690 H4' U 105 H4' U 105 0.304 3.363 -9.409 691 H3' U 105 H3' U 105 1.761 3.411 -11.728 692 H2' U 105 H2' U 105 1.403 1.145 -12.285 693 HO2' U 105 HO2 U 105 3.864 1.625 -11.393 694 H1' U 105 H1' U 105 1.891 0.382 -9.410 695 H3 U 105 3H U 105 1.673 -3.954 -10.760 696 H5 U 105 5H U 105 -1.667 -2.235 -12.615 697 H6 U 105 6H U 105 -1.005 -0.066 -11.709 698 H5' A 106 H5' A 106 3.627 4.324 -7.342 699 H5'' A 106 H5" A 106 3.879 5.794 -8.279 700 H4' A 106 H4' A 106 5.019 6.095 -6.242 701 H3' A 106 H3' A 106 6.396 6.364 -8.609 702 H2' A 106 H2' A 106 7.319 4.186 -8.599 703 HO2' A 106 HO2 A 106 9.097 6.015 -7.412 704 H1' A 106 H1' A 106 7.930 4.461 -5.653 705 H8 A 106 8H A 106 6.910 1.953 -8.460 706 H61 A 106 1H6 A 106 8.933 -2.242 -4.226 707 H62 A 106 2H6 A 106 8.379 -2.110 -5.898 708 H2 A 106 2H A 106 9.111 1.646 -2.419 709 H5' G 107 H5' G 107 7.929 8.571 -4.100 710 H5'' G 107 H5" G 107 7.421 6.886 -3.947 711 H4' G 107 H4' G 107 5.743 8.981 -2.574 712 H3' G 107 H3' G 107 8.486 8.087 -1.642 713 H2' G 107 H2' G 107 7.690 8.340 0.543 714 HO2' G 107 HO2 G 107 6.614 10.464 0.018 715 H1' G 107 H1' G 107 5.016 7.615 -0.127 716 H8 G 107 8H G 107 4.631 5.848 1.537 717 H1 G 107 1H G 107 10.661 3.600 1.251 718 H21 G 107 1H2 G 107 11.803 4.762 -0.214 719 H22 G 107 2H2 G 107 11.015 5.982 -1.217 720 H5' U 108 H5' U 108 10.440 11.590 1.496 721 H5'' U 108 H5" U 108 11.429 10.391 0.656 722 H4' U 108 H4' U 108 11.496 9.854 2.956 723 H3' U 108 H3' U 108 10.294 7.947 1.136 724 HO3' U 108 H3T U 108 12.317 7.620 2.046 725 H2' U 108 H2' U 108 8.312 7.779 2.347 726 HO2' U 108 HO2 U 108 10.268 6.253 3.488 727 H1' U 108 H1' U 108 9.779 8.597 4.856 728 H3 U 108 3H U 108 5.864 7.992 7.104 729 H5 U 108 5H U 108 4.652 10.046 3.666 730 H6 U 108 6H U 108 6.953 9.955 2.839 Start of MODEL 13 1 H CYS 20 1H CYS 20 10.501 -4.404 6.703 2 HA CYS 20 HA CYS 20 9.054 -6.306 6.398 3 HB2 CYS 20 1HB CYS 20 7.816 -5.413 9.049 4 HB3 CYS 20 2HB CYS 20 7.217 -6.698 8.022 5 HG CYS 20 HG CYS 20 9.434 -8.163 8.106 6 H LYS 21 H LYS 21 8.793 -4.669 4.603 7 HA LYS 21 HA LYS 21 6.205 -3.269 4.816 8 HB2 LYS 21 1HB LYS 21 8.027 -1.731 5.690 9 HB3 LYS 21 2HB LYS 21 8.736 -1.735 4.078 10 HG2 LYS 21 1HG LYS 21 6.742 -0.690 3.133 11 HG3 LYS 21 2HG LYS 21 5.842 -0.941 4.634 12 HD2 LYS 21 1HD LYS 21 7.365 0.628 5.811 13 HD3 LYS 21 2HD LYS 21 8.239 0.904 4.285 14 HE2 LYS 21 1HE LYS 21 6.182 1.742 3.227 15 HE3 LYS 21 2HE LYS 21 5.242 1.376 4.688 16 HZ1 LYS 21 3HZ LYS 21 5.960 3.738 4.416 17 HZ2 LYS 21 1HZ LYS 21 6.389 3.088 5.864 18 HZ3 LYS 21 2HZ LYS 21 7.499 3.274 4.630 19 H MET 22 H MET 22 5.190 -2.744 2.957 20 HA MET 22 HA MET 22 6.291 -3.777 0.387 21 HB2 MET 22 1HB MET 22 3.560 -4.412 1.586 22 HB3 MET 22 2HB MET 22 4.145 -4.902 -0.009 23 HG2 MET 22 1HG MET 22 6.075 -6.084 1.183 24 HG3 MET 22 2HG MET 22 5.250 -5.726 2.698 25 HE1 MET 22 3HE MET 22 4.172 -8.799 -0.502 26 HE2 MET 22 1HE MET 22 4.031 -7.078 -0.919 27 HE3 MET 22 2HE MET 22 5.594 -7.748 -0.395 28 H PHE 23 H PHE 23 5.785 -2.714 -1.348 29 HA PHE 23 HA PHE 23 4.140 -0.240 -1.326 30 HB2 PHE 23 1HB PHE 23 6.238 -0.001 -2.458 31 HB3 PHE 23 2HB PHE 23 6.088 -1.561 -3.253 32 HD1 PHE 23 2HD PHE 23 4.485 -1.880 -5.147 33 HD2 PHE 23 1HD PHE 23 5.228 1.997 -3.428 34 HE1 PHE 23 2HE PHE 23 3.524 -0.811 -7.163 35 HE2 PHE 23 1HE PHE 23 4.282 3.050 -5.456 36 HZ PHE 23 HZ PHE 23 3.423 1.672 -7.321 37 H ILE 24 H ILE 24 2.146 -0.217 -2.286 38 HA ILE 24 HA ILE 24 1.037 -2.856 -3.213 39 HB ILE 24 HB ILE 24 -0.569 -0.669 -1.872 40 HG12 ILE 24 1HG1 ILE 24 1.037 -1.227 -0.176 41 HG13 ILE 24 2HG1 ILE 24 -0.552 -1.834 0.217 42 HG21 ILE 24 1HG2 ILE 24 -1.754 -2.349 -3.239 43 HG22 ILE 24 2HG2 ILE 24 -1.054 -3.654 -2.276 44 HG23 ILE 24 3HG2 ILE 24 -2.163 -2.495 -1.520 45 HD11 ILE 24 3HD1 ILE 24 1.277 -3.394 0.838 46 HD12 ILE 24 1HD1 ILE 24 0.138 -4.129 -0.293 47 HD13 ILE 24 2HD1 ILE 24 1.723 -3.562 -0.862 48 H GLY 25 H GLY 25 1.198 -2.617 -5.416 49 HA2 GLY 25 1HA GLY 25 0.339 -0.104 -6.735 50 HA3 GLY 25 2HA GLY 25 1.083 -1.528 -7.490 51 H GLY 26 H GLY 26 -1.084 -0.205 -8.619 52 HA2 GLY 26 1HA GLY 26 -2.876 -0.917 -9.895 53 HA3 GLY 26 2HA GLY 26 -2.742 -2.524 -9.152 54 H LEU 27 H LEU 27 -3.189 0.155 -6.975 55 HA LEU 27 HA LEU 27 -5.654 -0.891 -5.896 56 HB2 LEU 27 1HB LEU 27 -4.389 1.866 -5.578 57 HB3 LEU 27 2HB LEU 27 -5.701 1.229 -4.612 58 HG LEU 27 HG LEU 27 -2.835 0.222 -4.613 59 HD11 LEU 27 1HD1 LEU 27 -3.366 2.376 -3.422 60 HD12 LEU 27 2HD1 LEU 27 -4.566 1.520 -2.456 61 HD13 LEU 27 3HD1 LEU 27 -2.847 1.084 -2.321 62 HD21 LEU 27 3HD2 LEU 27 -3.736 -1.180 -2.639 63 HD22 LEU 27 1HD2 LEU 27 -5.329 -0.970 -3.388 64 HD23 LEU 27 2HD2 LEU 27 -4.002 -1.743 -4.289 65 H SER 28 H SER 28 -7.629 0.441 -5.617 66 HA SER 28 HA SER 28 -8.649 1.454 -8.209 67 HB2 SER 28 1HB SER 28 -9.965 -0.011 -6.529 68 HB3 SER 28 2HB SER 28 -10.057 1.432 -5.523 69 HG SER 28 HG SER 28 -11.861 1.265 -6.834 70 H TRP 29 H TRP 29 -9.338 3.654 -8.492 71 HA TRP 29 HA TRP 29 -8.031 5.732 -7.010 72 HB2 TRP 29 1HB TRP 29 -10.419 5.725 -8.858 73 HB3 TRP 29 2HB TRP 29 -9.744 7.189 -8.147 74 HD1 TRP 29 HD TRP 29 -6.713 5.486 -8.818 75 HE1 TRP 29 1HE TRP 29 -5.737 5.961 -11.107 76 HE3 TRP 29 3HE TRP 29 -10.884 7.436 -11.070 77 HZ2 TRP 29 2HZ TRP 29 -6.602 7.160 -13.603 78 HZ3 TRP 29 3HZ TRP 29 -10.781 8.200 -13.428 79 HH2 TRP 29 HH TRP 29 -8.652 8.071 -14.702 80 H GLN 30 H GLN 30 -10.751 3.847 -6.137 81 HA GLN 30 HA GLN 30 -11.615 5.802 -4.051 82 HB2 GLN 30 1HB GLN 30 -12.930 3.212 -4.948 83 HB3 GLN 30 2HB GLN 30 -13.604 4.404 -3.844 84 HG2 GLN 30 1HG GLN 30 -13.092 4.762 -6.824 85 HG3 GLN 30 2HG GLN 30 -14.650 4.608 -6.033 86 HE21 GLN 30 2HE2 GLN 30 -13.549 6.852 -7.747 87 HE22 GLN 30 1HE2 GLN 30 -13.706 8.273 -6.726 88 H THR 31 H THR 31 -9.285 3.400 -4.200 89 HA THR 31 HA THR 31 -9.835 2.037 -1.688 90 HB THR 31 HB THR 31 -7.208 2.358 -3.200 91 HG1 THR 31 1HG THR 31 -9.144 0.270 -3.210 92 HG21 THR 31 3HG2 THR 31 -6.683 0.178 -2.012 93 HG22 THR 31 1HG2 THR 31 -6.743 1.585 -0.949 94 HG23 THR 31 2HG2 THR 31 -8.108 0.444 -0.995 95 H THR 32 H THR 32 -9.145 2.517 0.334 96 HA THR 32 HA THR 32 -7.598 5.028 0.826 97 HB THR 32 HB THR 32 -8.844 5.320 2.894 98 HG1 THR 32 1HG THR 32 -10.692 3.913 3.208 99 HG21 THR 32 3HG2 THR 32 -11.015 5.950 2.045 100 HG22 THR 32 1HG2 THR 32 -9.808 6.302 0.796 101 HG23 THR 32 2HG2 THR 32 -10.853 4.872 0.643 102 H GLN 33 H GLN 33 -6.360 4.992 2.848 103 HA GLN 33 HA GLN 33 -4.845 2.548 3.135 104 HB2 GLN 33 1HB GLN 33 -3.620 3.801 4.898 105 HB3 GLN 33 2HB GLN 33 -3.697 4.529 3.303 106 HG2 GLN 33 1HG GLN 33 -5.530 6.063 4.145 107 HG3 GLN 33 2HG GLN 33 -5.195 5.442 5.768 108 HE21 GLN 33 2HE2 GLN 33 -3.898 6.989 6.859 109 HE22 GLN 33 1HE2 GLN 33 -2.614 7.894 6.075 110 H GLU 34 H GLU 34 -7.646 3.722 4.827 111 HA GLU 34 HA GLU 34 -7.460 1.775 7.008 112 HB2 GLU 34 1HB GLU 34 -9.829 3.312 5.859 113 HB3 GLU 34 2HB GLU 34 -9.890 2.263 7.283 114 HG2 GLU 34 1HG GLU 34 -8.179 3.687 8.403 115 HG3 GLU 34 2HG GLU 34 -8.176 4.771 7.009 116 H GLY 35 H GLY 35 -8.846 1.856 3.702 117 HA2 GLY 35 1HA GLY 35 -10.041 -0.769 3.749 118 HA3 GLY 35 2HA GLY 35 -9.594 0.185 2.315 119 H LEU 36 H LEU 36 -6.748 0.413 2.885 120 HA LEU 36 HA LEU 36 -5.731 -2.157 2.134 121 HB2 LEU 36 1HB LEU 36 -4.162 0.061 3.549 122 HB3 LEU 36 2HB LEU 36 -3.504 -1.319 2.704 123 HG LEU 36 HG LEU 36 -4.898 1.064 1.463 124 HD11 LEU 36 1HD1 LEU 36 -2.508 1.299 2.099 125 HD12 LEU 36 2HD1 LEU 36 -2.114 -0.108 1.089 126 HD13 LEU 36 3HD1 LEU 36 -2.747 1.367 0.341 127 HD21 LEU 36 3HD2 LEU 36 -4.490 -0.029 -0.723 128 HD22 LEU 36 1HD2 LEU 36 -4.069 -1.536 0.122 129 HD23 LEU 36 2HD2 LEU 36 -5.710 -0.846 0.247 130 H ARG 37 H ARG 37 -5.657 -0.596 5.405 131 HA ARG 37 HA ARG 37 -4.631 -2.851 6.756 132 HB2 ARG 37 1HB ARG 37 -4.880 -0.635 7.769 133 HB3 ARG 37 2HB ARG 37 -6.641 -0.763 7.708 134 HG2 ARG 37 1HG ARG 37 -6.592 -2.663 9.293 135 HG3 ARG 37 2HG ARG 37 -4.821 -2.616 9.305 136 HD2 ARG 37 1HD ARG 37 -4.981 -0.231 10.116 137 HD3 ARG 37 2HD ARG 37 -6.729 -0.433 10.223 138 HE ARG 37 HE ARG 37 -4.675 -1.503 12.023 139 HH11 ARG 37 1HH1 ARG 37 -8.074 -1.869 11.091 140 HH12 ARG 37 2HH1 ARG 37 -8.483 -2.665 12.581 141 HH21 ARG 37 1HH2 ARG 37 -5.278 -2.532 13.912 142 HH22 ARG 37 2HH2 ARG 37 -6.923 -3.035 14.148 143 H GLU 38 H GLU 38 -8.019 -2.159 5.906 144 HA GLU 38 HA GLU 38 -9.225 -4.317 7.200 145 HB2 GLU 38 1HB GLU 38 -10.145 -2.235 5.719 146 HB3 GLU 38 2HB GLU 38 -10.314 -3.511 4.511 147 HG2 GLU 38 1HG GLU 38 -11.582 -4.851 6.222 148 HG3 GLU 38 2HG GLU 38 -11.403 -3.494 7.345 149 H TYR 39 H TYR 39 -7.595 -4.288 4.030 150 HA TYR 39 HA TYR 39 -8.278 -7.097 3.445 151 HB2 TYR 39 1HB TYR 39 -8.221 -5.357 1.705 152 HB3 TYR 39 2HB TYR 39 -6.507 -5.091 2.004 153 HD1 TYR 39 1HD TYR 39 -8.990 -7.731 1.034 154 HD2 TYR 39 2HD TYR 39 -4.880 -6.441 0.892 155 HE1 TYR 39 1HE TYR 39 -8.442 -9.658 -0.430 156 HE2 TYR 39 2HE TYR 39 -4.325 -8.347 -0.588 157 HH TYR 39 HH TYR 39 -6.802 -10.793 -1.539 158 H PHE 40 H PHE 40 -5.406 -5.230 4.422 159 HA PHE 40 HA PHE 40 -3.670 -7.532 4.183 160 HB2 PHE 40 1HB PHE 40 -3.249 -4.624 4.828 161 HB3 PHE 40 2HB PHE 40 -1.971 -5.770 5.087 162 HD1 PHE 40 2HD PHE 40 -1.512 -7.487 3.067 163 HD2 PHE 40 1HD PHE 40 -3.533 -3.711 2.602 164 HE1 PHE 40 2HE PHE 40 -1.100 -7.557 0.626 165 HE2 PHE 40 1HE PHE 40 -3.123 -3.788 0.171 166 HZ PHE 40 HZ PHE 40 -1.903 -5.708 -0.831 167 H GLY 41 H GLY 41 -5.500 -6.282 6.830 168 HA2 GLY 41 1HA GLY 41 -4.056 -7.463 8.998 169 HA3 GLY 41 2HA GLY 41 -5.795 -7.106 8.954 170 H GLN 42 H GLN 42 -5.583 -9.060 6.398 171 HA GLN 42 HA GLN 42 -6.393 -11.510 7.760 172 HB2 GLN 42 1HB GLN 42 -5.711 -10.993 4.829 173 HB3 GLN 42 2HB GLN 42 -6.543 -12.410 5.472 174 HG2 GLN 42 1HG GLN 42 -8.425 -10.959 6.223 175 HG3 GLN 42 2HG GLN 42 -7.603 -9.557 5.531 176 HE21 GLN 42 2HE2 GLN 42 -7.140 -9.625 3.137 177 HE22 GLN 42 1HE2 GLN 42 -8.284 -10.493 2.114 178 H PHE 43 H PHE 43 -3.372 -10.270 6.464 179 HA PHE 43 HA PHE 43 -2.129 -12.963 6.386 180 HB2 PHE 43 1HB PHE 43 -1.061 -10.274 5.446 181 HB3 PHE 43 2HB PHE 43 -0.372 -11.847 5.115 182 HD1 PHE 43 1HD PHE 43 -1.504 -13.416 3.512 183 HD2 PHE 43 2HD PHE 43 -3.020 -9.472 4.239 184 HE1 PHE 43 1HE PHE 43 -2.869 -13.574 1.457 185 HE2 PHE 43 2HE PHE 43 -4.394 -9.608 2.173 186 HZ PHE 43 HZ PHE 43 -4.322 -11.675 0.779 187 H GLY 44 H GLY 44 -1.784 -9.861 8.060 188 HA2 GLY 44 1HA GLY 44 -0.518 -10.989 10.385 189 HA3 GLY 44 2HA GLY 44 0.650 -10.105 9.418 190 H GLU 45 H GLU 45 0.312 -9.049 11.831 191 HA GLU 45 HA GLU 45 -1.886 -7.092 11.901 192 HB2 GLU 45 1HB GLU 45 -1.115 -8.218 13.942 193 HB3 GLU 45 2HB GLU 45 0.481 -7.474 13.776 194 HG2 GLU 45 1HG GLU 45 -0.465 -5.247 14.090 195 HG3 GLU 45 2HG GLU 45 -2.110 -5.878 13.982 196 H VAL 46 H VAL 46 -1.773 -5.158 10.841 197 HA VAL 46 HA VAL 46 0.732 -4.341 9.650 198 HB VAL 46 HB VAL 46 -0.335 -2.748 8.410 199 HG11 VAL 46 1HG1 VAL 46 -0.996 -5.066 7.790 200 HG12 VAL 46 2HG1 VAL 46 -2.501 -4.853 8.722 201 HG13 VAL 46 3HG1 VAL 46 -2.176 -3.831 7.312 202 HG21 VAL 46 3HG2 VAL 46 -2.701 -2.012 8.756 203 HG22 VAL 46 1HG2 VAL 46 -2.615 -2.709 10.386 204 HG23 VAL 46 2HG2 VAL 46 -1.518 -1.380 9.889 205 H LYS 47 H LYS 47 1.928 -2.535 9.992 206 HA LYS 47 HA LYS 47 1.743 -1.231 12.676 207 HB2 LYS 47 1HB LYS 47 3.705 -2.595 12.139 208 HB3 LYS 47 2HB LYS 47 4.062 -1.631 10.725 209 HG2 LYS 47 1HG LYS 47 3.856 -0.183 13.363 210 HG3 LYS 47 2HG LYS 47 5.235 -1.256 13.146 211 HD2 LYS 47 1HD LYS 47 6.126 -0.048 11.345 212 HD3 LYS 47 2HD LYS 47 4.606 0.780 11.005 213 HE2 LYS 47 1HE LYS 47 4.770 2.030 13.131 214 HE3 LYS 47 2HE LYS 47 6.304 1.225 13.489 215 HZ1 LYS 47 3HZ LYS 47 6.638 3.417 12.497 216 HZ2 LYS 47 1HZ LYS 47 7.241 2.269 11.505 217 HZ3 LYS 47 2HZ LYS 47 5.827 3.013 11.137 218 H GLU 48 H GLU 48 1.720 -0.492 9.265 219 HA GLU 48 HA GLU 48 1.057 2.336 9.598 220 HB2 GLU 48 1HB GLU 48 3.320 2.569 10.162 221 HB3 GLU 48 2HB GLU 48 3.860 1.430 8.954 222 HG2 GLU 48 1HG GLU 48 3.396 3.105 7.173 223 HG3 GLU 48 2HG GLU 48 2.953 4.265 8.440 224 H CYS 49 H CYS 49 -0.588 2.199 8.203 225 HA CYS 49 HA CYS 49 -0.201 1.101 5.457 226 HB2 CYS 49 1HB CYS 49 -2.686 1.641 7.137 227 HB3 CYS 49 2HB CYS 49 -2.750 1.356 5.390 228 HG CYS 49 HG CYS 49 -1.292 -0.569 7.642 229 H LEU 50 H LEU 50 -0.427 2.483 3.673 230 HA LEU 50 HA LEU 50 -1.174 5.340 4.088 231 HB2 LEU 50 1HB LEU 50 1.399 4.316 2.856 232 HB3 LEU 50 2HB LEU 50 0.821 5.956 2.664 233 HG LEU 50 HG LEU 50 1.594 4.732 5.339 234 HD11 LEU 50 1HD1 LEU 50 3.506 4.939 3.794 235 HD12 LEU 50 2HD1 LEU 50 3.098 6.641 3.477 236 HD13 LEU 50 3HD1 LEU 50 3.619 6.125 5.099 237 HD21 LEU 50 3HD2 LEU 50 1.571 7.100 6.110 238 HD22 LEU 50 1HD2 LEU 50 0.964 7.614 4.520 239 HD23 LEU 50 2HD2 LEU 50 -0.037 6.594 5.577 240 H VAL 51 H VAL 51 -2.056 6.332 2.331 241 HA VAL 51 HA VAL 51 -1.808 5.071 -0.373 242 HB VAL 51 HB VAL 51 -4.379 6.097 0.889 243 HG11 VAL 51 1HG1 VAL 51 -4.269 7.146 -1.324 244 HG12 VAL 51 2HG1 VAL 51 -3.807 5.597 -2.068 245 HG13 VAL 51 3HG1 VAL 51 -5.425 5.819 -1.367 246 HG21 VAL 51 3HG2 VAL 51 -5.261 3.920 0.073 247 HG22 VAL 51 1HG2 VAL 51 -3.652 3.498 -0.544 248 HG23 VAL 51 2HG2 VAL 51 -3.922 3.696 1.202 249 H MET 52 H MET 52 -1.163 6.421 -1.868 250 HA MET 52 HA MET 52 -0.322 9.122 -0.998 251 HB2 MET 52 1HB MET 52 0.487 7.275 -3.266 252 HB3 MET 52 2HB MET 52 1.185 8.883 -3.005 253 HG2 MET 52 1HG MET 52 1.279 6.702 -0.890 254 HG3 MET 52 2HG MET 52 2.527 6.968 -2.087 255 HE1 MET 52 3HE MET 52 2.080 9.051 1.846 256 HE2 MET 52 1HE MET 52 0.655 8.432 0.982 257 HE3 MET 52 2HE MET 52 2.002 7.338 1.382 258 H ARG 53 H ARG 53 -2.996 9.198 -1.406 259 HA ARG 53 HA ARG 53 -3.789 9.669 -4.084 260 HB2 ARG 53 1HB ARG 53 -5.906 10.370 -3.236 261 HB3 ARG 53 2HB ARG 53 -5.348 9.006 -2.273 262 HG2 ARG 53 1HG ARG 53 -4.690 10.553 -0.446 263 HG3 ARG 53 2HG ARG 53 -5.220 11.928 -1.435 264 HD2 ARG 53 1HD ARG 53 -7.527 10.885 -1.542 265 HD3 ARG 53 2HD ARG 53 -6.961 9.644 -0.428 266 HE ARG 53 HE ARG 53 -7.140 11.106 1.329 267 HH11 ARG 53 1HH1 ARG 53 -7.152 13.135 -1.583 268 HH12 ARG 53 2HH1 ARG 53 -7.680 14.534 -0.693 269 HH21 ARG 53 1HH2 ARG 53 -7.759 12.959 2.393 270 HH22 ARG 53 2HH2 ARG 53 -7.978 14.444 1.523 271 H ASP 54 H ASP 54 -4.507 11.501 -5.166 272 HA ASP 54 HA ASP 54 -2.942 13.941 -4.852 273 HB2 ASP 54 1HB ASP 54 -3.515 12.912 -7.036 274 HB3 ASP 54 2HB ASP 54 -5.227 13.173 -6.707 275 HA PRO 55 HA PRO 55 -6.126 15.640 -2.199 276 HB2 PRO 55 1HB PRO 55 -5.185 18.147 -1.725 277 HB3 PRO 55 2HB PRO 55 -4.306 16.687 -1.175 278 HG2 PRO 55 1HG PRO 55 -3.818 18.309 -3.700 279 HG3 PRO 55 2HG PRO 55 -2.617 17.795 -2.471 280 HD2 PRO 55 1HD PRO 55 -3.051 16.383 -4.779 281 HD3 PRO 55 2HD PRO 55 -2.640 15.573 -3.237 282 H LEU 56 H LEU 56 -5.666 16.894 -5.438 283 HA LEU 56 HA LEU 56 -7.909 18.813 -5.241 284 HB2 LEU 56 1HB LEU 56 -6.108 18.040 -7.576 285 HB3 LEU 56 2HB LEU 56 -7.238 19.369 -7.511 286 HG LEU 56 HG LEU 56 -4.679 19.114 -5.873 287 HD11 LEU 56 1HD1 LEU 56 -4.326 19.603 -8.264 288 HD12 LEU 56 2HD1 LEU 56 -5.432 20.991 -8.154 289 HD13 LEU 56 3HD1 LEU 56 -3.900 20.993 -7.252 290 HD21 LEU 56 3HD2 LEU 56 -5.125 21.464 -5.166 291 HD22 LEU 56 1HD2 LEU 56 -6.727 21.380 -5.931 292 HD23 LEU 56 2HD2 LEU 56 -6.337 20.343 -4.539 293 H THR 57 H THR 57 -6.999 15.763 -6.923 294 HA THR 57 HA THR 57 -9.757 15.559 -8.053 295 HB THR 57 HB THR 57 -8.843 13.946 -9.581 296 HG1 THR 57 1HG THR 57 -6.524 13.558 -9.443 297 HG21 THR 57 3HG2 THR 57 -7.291 15.291 -10.843 298 HG22 THR 57 1HG2 THR 57 -8.487 16.372 -10.108 299 HG23 THR 57 2HG2 THR 57 -6.853 16.248 -9.414 300 H LYS 58 H LYS 58 -7.976 14.345 -5.476 301 HA LYS 58 HA LYS 58 -8.294 12.839 -3.868 302 HB2 LYS 58 1HB LYS 58 -11.121 12.777 -4.979 303 HB3 LYS 58 2HB LYS 58 -10.624 11.821 -3.601 304 HG2 LYS 58 1HG LYS 58 -11.716 13.860 -2.905 305 HG3 LYS 58 2HG LYS 58 -10.066 13.771 -2.297 306 HD2 LYS 58 1HD LYS 58 -9.313 15.445 -3.867 307 HD3 LYS 58 2HD LYS 58 -10.862 15.400 -4.746 308 HE2 LYS 58 1HE LYS 58 -12.032 16.316 -2.808 309 HE3 LYS 58 2HE LYS 58 -10.562 16.232 -1.826 310 HZ1 LYS 58 3HZ LYS 58 -10.969 18.469 -2.729 311 HZ2 LYS 58 1HZ LYS 58 -9.539 17.864 -3.250 312 HZ3 LYS 58 2HZ LYS 58 -10.832 17.905 -4.262 313 H ARG 59 H ARG 59 -8.017 11.895 -6.990 314 HA ARG 59 HA ARG 59 -8.326 9.049 -6.966 315 HB2 ARG 59 1HB ARG 59 -6.374 10.827 -8.490 316 HB3 ARG 59 2HB ARG 59 -6.647 9.110 -8.809 317 HG2 ARG 59 1HG ARG 59 -9.031 9.555 -9.320 318 HG3 ARG 59 2HG ARG 59 -8.774 11.287 -9.026 319 HD2 ARG 59 1HD ARG 59 -7.081 11.336 -10.842 320 HD3 ARG 59 2HD ARG 59 -7.392 9.617 -11.164 321 HE ARG 59 HE ARG 59 -9.874 10.950 -11.251 322 HH11 ARG 59 1HH1 ARG 59 -6.904 10.917 -13.171 323 HH12 ARG 59 2HH1 ARG 59 -7.728 11.391 -14.625 324 HH21 ARG 59 1HH2 ARG 59 -10.879 11.552 -13.164 325 HH22 ARG 59 2HH2 ARG 59 -9.950 11.735 -14.620 326 H SER 60 H SER 60 -7.182 7.471 -6.101 327 HA SER 60 HA SER 60 -5.152 7.828 -4.123 328 HB2 SER 60 1HB SER 60 -5.155 5.416 -4.067 329 HB3 SER 60 2HB SER 60 -6.823 5.971 -4.330 330 HG SER 60 HG SER 60 -6.485 4.393 -5.819 331 H ARG 61 H ARG 61 -4.751 8.076 -7.444 332 HA ARG 61 HA ARG 61 -3.088 7.913 -8.960 333 HB2 ARG 61 1HB ARG 61 -1.173 7.730 -6.592 334 HB3 ARG 61 2HB ARG 61 -0.702 7.875 -8.277 335 HG2 ARG 61 1HG ARG 61 -1.842 10.056 -8.461 336 HG3 ARG 61 2HG ARG 61 -2.366 9.933 -6.776 337 HD2 ARG 61 1HD ARG 61 -0.395 11.361 -6.907 338 HD3 ARG 61 2HD ARG 61 -0.023 9.879 -6.025 339 HE ARG 61 HE ARG 61 0.634 9.965 -8.916 340 HH11 ARG 61 1HH1 ARG 61 1.972 10.205 -5.612 341 HH12 ARG 61 2HH1 ARG 61 3.546 9.653 -6.188 342 HH21 ARG 61 1HH2 ARG 61 2.775 9.311 -9.457 343 HH22 ARG 61 2HH2 ARG 61 3.955 9.215 -8.154 344 H GLY 62 H GLY 62 -4.251 5.418 -7.329 345 HA2 GLY 62 1HA GLY 62 -4.404 3.199 -7.888 346 HA3 GLY 62 2HA GLY 62 -3.143 3.422 -9.125 347 H PHE 63 H PHE 63 -2.249 4.426 -5.872 348 HA PHE 63 HA PHE 63 -1.257 1.804 -5.161 349 HB2 PHE 63 1HB PHE 63 1.026 2.049 -5.448 350 HB3 PHE 63 2HB PHE 63 0.391 2.714 -6.929 351 HD1 PHE 63 1HD PHE 63 0.244 5.302 -7.132 352 HD2 PHE 63 2HD PHE 63 2.317 3.313 -3.919 353 HE1 PHE 63 1HE PHE 63 1.404 7.415 -6.563 354 HE2 PHE 63 2HE PHE 63 3.535 5.402 -3.414 355 HZ PHE 63 HZ PHE 63 3.059 7.464 -4.676 356 H GLY 64 H GLY 64 -0.008 1.678 -3.255 357 HA2 GLY 64 1HA GLY 64 0.287 3.971 -1.452 358 HA3 GLY 64 2HA GLY 64 -0.898 2.791 -0.921 359 H PHE 65 H PHE 65 0.402 2.380 0.903 360 HA PHE 65 HA PHE 65 2.540 0.367 0.497 361 HB2 PHE 65 1HB PHE 65 2.849 2.929 2.103 362 HB3 PHE 65 2HB PHE 65 3.836 1.520 2.368 363 HD1 PHE 65 1HD PHE 65 3.056 4.227 -0.112 364 HD2 PHE 65 2HD PHE 65 5.673 0.958 0.980 365 HE1 PHE 65 1HE PHE 65 4.773 5.062 -1.668 366 HE2 PHE 65 2HE PHE 65 7.385 1.822 -0.579 367 HZ PHE 65 HZ PHE 65 6.940 3.892 -1.904 368 H VAL 66 H VAL 66 2.757 -1.076 2.213 369 HA VAL 66 HA VAL 66 1.221 -0.594 4.713 370 HB VAL 66 HB VAL 66 0.965 -3.183 3.131 371 HG11 VAL 66 1HG1 VAL 66 1.161 -3.759 5.498 372 HG12 VAL 66 2HG1 VAL 66 0.017 -2.479 5.943 373 HG13 VAL 66 3HG1 VAL 66 -0.532 -3.891 5.024 374 HG21 VAL 66 3HG2 VAL 66 -1.483 -2.650 3.269 375 HG22 VAL 66 1HG2 VAL 66 -1.080 -1.077 3.975 376 HG23 VAL 66 2HG2 VAL 66 -0.580 -1.461 2.331 377 H THR 67 H THR 67 2.368 -0.934 6.391 378 HA THR 67 HA THR 67 4.888 -2.564 6.348 379 HB THR 67 HB THR 67 4.040 -0.650 8.519 380 HG1 THR 67 1HG THR 67 4.029 0.557 6.666 381 HG21 THR 67 3HG2 THR 67 6.466 -0.432 8.880 382 HG22 THR 67 1HG2 THR 67 5.975 -2.135 8.997 383 HG23 THR 67 2HG2 THR 67 6.777 -1.543 7.536 384 H PHE 68 H PHE 68 5.154 -4.139 7.941 385 HA PHE 68 HA PHE 68 2.707 -4.915 9.493 386 HB2 PHE 68 1HB PHE 68 4.811 -6.635 8.153 387 HB3 PHE 68 2HB PHE 68 3.597 -7.239 9.270 388 HD1 PHE 68 1HD PHE 68 4.064 -5.685 5.906 389 HD2 PHE 68 2HD PHE 68 1.361 -7.715 8.585 390 HE1 PHE 68 1HE PHE 68 2.487 -6.068 4.029 391 HE2 PHE 68 2HE PHE 68 -0.222 -8.073 6.712 392 HZ PHE 68 HZ PHE 68 0.343 -7.260 4.431 393 H MET 69 H MET 69 2.965 -5.772 11.531 394 HA MET 69 HA MET 69 5.241 -4.972 13.170 395 HB2 MET 69 1HB MET 69 2.869 -6.821 13.676 396 HB3 MET 69 2HB MET 69 4.012 -6.303 14.910 397 HG2 MET 69 1HG MET 69 2.201 -4.432 13.335 398 HG3 MET 69 2HG MET 69 1.894 -5.053 14.950 399 HE1 MET 69 3HE MET 69 2.500 -1.399 15.859 400 HE2 MET 69 1HE MET 69 1.494 -2.208 14.635 401 HE3 MET 69 2HE MET 69 1.605 -2.876 16.274 402 H ASP 70 H ASP 70 4.850 -7.518 11.021 403 HA ASP 70 HA ASP 70 7.033 -9.157 12.100 404 HB2 ASP 70 1HB ASP 70 5.679 -11.183 12.164 405 HB3 ASP 70 2HB ASP 70 5.059 -9.995 13.298 406 H GLN 71 H GLN 71 7.964 -10.558 10.575 407 HA GLN 71 HA GLN 71 7.580 -9.812 7.789 408 HB2 GLN 71 1HB GLN 71 9.772 -10.358 8.928 409 HB3 GLN 71 2HB GLN 71 9.272 -12.036 9.006 410 HG2 GLN 71 1HG GLN 71 10.797 -11.691 7.138 411 HG3 GLN 71 2HG GLN 71 9.224 -12.192 6.552 412 HE21 GLN 71 2HE2 GLN 71 10.231 -11.302 4.467 413 HE22 GLN 71 1HE2 GLN 71 10.024 -9.581 4.178 414 H ALA 72 H ALA 72 6.322 -12.334 9.821 415 HA ALA 72 HA ALA 72 5.810 -14.329 7.860 416 HB1 ALA 72 1HB ALA 72 5.765 -14.709 10.311 417 HB2 ALA 72 2HB ALA 72 4.277 -13.733 10.426 418 HB3 ALA 72 3HB ALA 72 4.275 -15.261 9.521 419 H GLY 73 H GLY 73 3.907 -11.395 8.584 420 HA2 GLY 73 1HA GLY 73 1.737 -12.175 6.772 421 HA3 GLY 73 2HA GLY 73 2.016 -10.566 7.457 422 H VAL 74 H VAL 74 4.717 -10.304 6.437 423 HA VAL 74 HA VAL 74 4.264 -9.356 3.750 424 HB VAL 74 HB VAL 74 6.861 -9.929 5.228 425 HG11 VAL 74 1HG1 VAL 74 7.383 -10.059 2.856 426 HG12 VAL 74 2HG1 VAL 74 6.497 -8.555 2.538 427 HG13 VAL 74 3HG1 VAL 74 7.982 -8.530 3.503 428 HG21 VAL 74 3HG2 VAL 74 7.005 -7.484 5.445 429 HG22 VAL 74 1HG2 VAL 74 5.452 -7.308 4.601 430 HG23 VAL 74 2HG2 VAL 74 5.531 -8.091 6.198 431 H ASP 75 H ASP 75 5.844 -12.320 5.053 432 HA ASP 75 HA ASP 75 6.581 -13.614 2.711 433 HB2 ASP 75 1HB ASP 75 7.006 -14.323 5.092 434 HB3 ASP 75 2HB ASP 75 5.352 -14.893 5.189 435 H LYS 76 H LYS 76 3.351 -13.845 4.302 436 HA LYS 76 HA LYS 76 2.226 -15.641 2.385 437 HB2 LYS 76 1HB LYS 76 0.887 -13.603 4.204 438 HB3 LYS 76 2HB LYS 76 0.056 -14.905 3.321 439 HG2 LYS 76 1HG LYS 76 1.246 -16.611 4.587 440 HG3 LYS 76 2HG LYS 76 2.176 -15.369 5.435 441 HD2 LYS 76 1HD LYS 76 -0.155 -14.372 6.117 442 HD3 LYS 76 2HD LYS 76 -0.831 -15.888 5.518 443 HE2 LYS 76 1HE LYS 76 -0.611 -16.298 7.794 444 HE3 LYS 76 2HE LYS 76 0.849 -17.047 7.126 445 HZ1 LYS 76 3HZ LYS 76 1.360 -15.663 9.059 446 HZ2 LYS 76 1HZ LYS 76 2.045 -14.986 7.722 447 HZ3 LYS 76 2HZ LYS 76 0.677 -14.344 8.359 448 H VAL 77 H VAL 77 2.366 -12.094 2.382 449 HA VAL 77 HA VAL 77 0.486 -11.776 0.199 450 HB VAL 77 HB VAL 77 2.587 -9.866 1.253 451 HG11 VAL 77 1HG1 VAL 77 1.981 -9.149 -1.034 452 HG12 VAL 77 2HG1 VAL 77 0.255 -9.279 -0.630 453 HG13 VAL 77 3HG1 VAL 77 1.274 -8.055 0.152 454 HG21 VAL 77 3HG2 VAL 77 0.691 -8.774 2.398 455 HG22 VAL 77 1HG2 VAL 77 -0.456 -9.908 1.653 456 HG23 VAL 77 2HG2 VAL 77 0.700 -10.479 2.855 457 H LEU 78 H LEU 78 4.008 -12.321 0.332 458 HA LEU 78 HA LEU 78 4.412 -11.954 -2.546 459 HB2 LEU 78 1HB LEU 78 6.052 -13.431 -0.455 460 HB3 LEU 78 2HB LEU 78 6.619 -12.931 -2.042 461 HG LEU 78 HG LEU 78 5.694 -10.947 0.089 462 HD11 LEU 78 1HD1 LEU 78 7.496 -12.321 0.929 463 HD12 LEU 78 2HD1 LEU 78 8.461 -12.033 -0.535 464 HD13 LEU 78 3HD1 LEU 78 8.106 -10.684 0.581 465 HD21 LEU 78 3HD2 LEU 78 7.008 -9.335 -1.234 466 HD22 LEU 78 1HD2 LEU 78 7.304 -10.583 -2.466 467 HD23 LEU 78 2HD2 LEU 78 5.647 -10.004 -2.144 468 H ALA 79 H ALA 79 3.895 -14.706 -0.351 469 HA ALA 79 HA ALA 79 4.318 -16.720 -2.285 470 HB1 ALA 79 1HB ALA 79 4.514 -17.038 0.153 471 HB2 ALA 79 2HB ALA 79 2.756 -16.826 0.332 472 HB3 ALA 79 3HB ALA 79 3.401 -18.224 -0.552 473 H GLN 80 H GLN 80 1.369 -14.911 -1.588 474 HA GLN 80 HA GLN 80 -0.411 -16.771 -2.990 475 HB2 GLN 80 1HB GLN 80 -1.117 -15.481 -1.024 476 HB3 GLN 80 2HB GLN 80 -0.884 -13.973 -1.908 477 HG2 GLN 80 1HG GLN 80 -2.651 -14.552 -3.479 478 HG3 GLN 80 2HG GLN 80 -2.784 -16.183 -2.819 479 HE21 GLN 80 2HE2 GLN 80 -4.414 -13.324 -2.860 480 HE22 GLN 80 1HE2 GLN 80 -5.211 -13.465 -1.289 481 H SER 81 H SER 81 -1.378 -16.545 -4.994 482 HA SER 81 HA SER 81 0.358 -15.440 -7.007 483 HB2 SER 81 1HB SER 81 -1.399 -16.498 -8.494 484 HB3 SER 81 2HB SER 81 -0.602 -17.584 -7.335 485 HG SER 81 HG SER 81 -2.899 -17.879 -7.390 486 H ARG 82 H ARG 82 -2.655 -14.353 -5.652 487 HA ARG 82 HA ARG 82 -2.636 -11.899 -7.278 488 HB2 ARG 82 1HB ARG 82 -3.947 -13.815 -8.518 489 HB3 ARG 82 2HB ARG 82 -5.191 -13.537 -7.295 490 HG2 ARG 82 1HG ARG 82 -5.182 -11.071 -8.019 491 HG3 ARG 82 2HG ARG 82 -4.036 -11.527 -9.278 492 HD2 ARG 82 1HD ARG 82 -6.028 -11.536 -10.428 493 HD3 ARG 82 2HD ARG 82 -5.875 -13.240 -10.021 494 HE ARG 82 HE ARG 82 -7.732 -11.211 -8.853 495 HH11 ARG 82 1HH1 ARG 82 -6.831 -14.641 -8.884 496 HH12 ARG 82 2HH1 ARG 82 -8.312 -15.110 -8.107 497 HH21 ARG 82 1HH2 ARG 82 -9.619 -11.881 -7.930 498 HH22 ARG 82 2HH2 ARG 82 -9.858 -13.570 -7.560 499 H HIS 83 H HIS 83 -3.920 -10.232 -6.459 500 HA HIS 83 HA HIS 83 -5.379 -10.623 -3.897 501 HB2 HIS 83 1HB HIS 83 -3.185 -8.599 -4.484 502 HB3 HIS 83 2HB HIS 83 -4.272 -8.501 -3.092 503 HD1 HIS 83 1HD HIS 83 -3.964 -10.522 -1.235 504 HD2 HIS 83 2HD HIS 83 -1.115 -10.236 -4.313 505 HE1 HIS 83 1HE HIS 83 -1.947 -11.908 -0.485 506 H GLU 84 H GLU 84 -6.991 -8.957 -3.491 507 HA GLU 84 HA GLU 84 -7.749 -7.191 -5.717 508 HB2 GLU 84 1HB GLU 84 -8.400 -9.612 -6.283 509 HB3 GLU 84 2HB GLU 84 -9.568 -9.504 -4.963 510 HG2 GLU 84 1HG GLU 84 -10.599 -7.519 -6.114 511 HG3 GLU 84 2HG GLU 84 -9.438 -7.719 -7.436 512 H LEU 85 H LEU 85 -8.813 -5.494 -5.014 513 HA LEU 85 HA LEU 85 -10.363 -5.433 -2.503 514 HB2 LEU 85 1HB LEU 85 -8.065 -5.167 -1.729 515 HB3 LEU 85 2HB LEU 85 -7.738 -3.965 -2.982 516 HG LEU 85 HG LEU 85 -9.276 -2.370 -1.886 517 HD11 LEU 85 1HD1 LEU 85 -10.881 -3.834 -0.773 518 HD12 LEU 85 2HD1 LEU 85 -9.600 -4.576 0.197 519 HD13 LEU 85 3HD1 LEU 85 -10.049 -2.880 0.464 520 HD21 LEU 85 3HD2 LEU 85 -7.851 -1.923 0.067 521 HD22 LEU 85 1HD2 LEU 85 -7.178 -3.565 -0.021 522 HD23 LEU 85 2HD2 LEU 85 -6.873 -2.403 -1.331 523 H ASP 86 H ASP 86 -11.970 -3.931 -2.641 524 HA ASP 86 HA ASP 86 -13.543 -2.679 -3.653 525 HB2 ASP 86 1HB ASP 86 -11.808 -0.908 -3.249 526 HB3 ASP 86 2HB ASP 86 -11.272 -1.100 -4.916 527 H SER 87 H SER 87 -12.734 -5.092 -4.931 528 HA SER 87 HA SER 87 -13.038 -6.373 -6.773 529 HB2 SER 87 1HB SER 87 -14.689 -4.095 -7.914 530 HB3 SER 87 2HB SER 87 -14.681 -5.784 -8.431 531 HG SER 87 HG SER 87 -15.470 -4.827 -5.858 532 H LYS 88 H LYS 88 -10.752 -4.348 -6.675 533 HA LYS 88 HA LYS 88 -9.987 -4.357 -9.573 534 HB2 LYS 88 1HB LYS 88 -9.363 -2.438 -7.292 535 HB3 LYS 88 2HB LYS 88 -8.427 -2.464 -8.774 536 HG2 LYS 88 1HG LYS 88 -11.421 -2.258 -9.049 537 HG3 LYS 88 2HG LYS 88 -10.561 -0.867 -8.400 538 HD2 LYS 88 1HD LYS 88 -9.085 -0.825 -10.405 539 HD3 LYS 88 2HD LYS 88 -9.968 -2.215 -11.053 540 HE2 LYS 88 1HE LYS 88 -10.861 -0.198 -12.080 541 HE3 LYS 88 2HE LYS 88 -12.083 -0.868 -10.999 542 HZ1 LYS 88 3HZ LYS 88 -11.912 1.522 -10.715 543 HZ2 LYS 88 1HZ LYS 88 -11.393 0.821 -9.332 544 HZ3 LYS 88 2HZ LYS 88 -10.318 1.450 -10.394 545 H THR 89 H THR 89 -8.124 -5.296 -10.099 546 HA THR 89 HA THR 89 -6.955 -7.196 -8.192 547 HB THR 89 HB THR 89 -6.182 -6.649 -11.083 548 HG1 THR 89 1HG THR 89 -7.593 -8.372 -11.475 549 HG21 THR 89 3HG2 THR 89 -5.325 -8.994 -10.963 550 HG22 THR 89 1HG2 THR 89 -4.454 -7.928 -9.853 551 HG23 THR 89 2HG2 THR 89 -5.699 -9.027 -9.222 552 H ILE 90 H ILE 90 -5.294 -6.781 -6.886 553 HA ILE 90 HA ILE 90 -3.579 -4.397 -7.470 554 HB ILE 90 HB ILE 90 -3.204 -4.108 -5.141 555 HG12 ILE 90 1HG1 ILE 90 -4.942 -6.513 -4.564 556 HG13 ILE 90 2HG1 ILE 90 -3.186 -6.387 -4.352 557 HG21 ILE 90 1HG2 ILE 90 -5.294 -3.167 -6.236 558 HG22 ILE 90 2HG2 ILE 90 -6.205 -4.542 -5.585 559 HG23 ILE 90 3HG2 ILE 90 -5.471 -3.380 -4.491 560 HD11 ILE 90 3HD1 ILE 90 -4.131 -6.067 -2.204 561 HD12 ILE 90 1HD1 ILE 90 -3.596 -4.462 -2.760 562 HD13 ILE 90 2HD1 ILE 90 -5.320 -4.902 -2.804 563 H ASP 91 H ASP 91 -1.391 -4.438 -6.947 564 HA ASP 91 HA ASP 91 -0.083 -7.117 -7.253 565 HB2 ASP 91 1HB ASP 91 -0.409 -6.039 -9.417 566 HB3 ASP 91 2HB ASP 91 0.371 -4.573 -8.824 567 HA PRO 92 HA PRO 92 2.003 -4.728 -3.928 568 HB2 PRO 92 1HB PRO 92 1.732 -6.526 -1.856 569 HB3 PRO 92 2HB PRO 92 0.529 -5.290 -2.304 570 HG2 PRO 92 1HG PRO 92 0.426 -8.226 -2.818 571 HG3 PRO 92 2HG PRO 92 -0.917 -7.035 -2.622 572 HD2 PRO 92 1HD PRO 92 0.097 -8.076 -5.055 573 HD3 PRO 92 2HD PRO 92 -1.045 -6.731 -4.814 574 H LYS 93 H LYS 93 4.038 -4.922 -3.077 575 HA LYS 93 HA LYS 93 5.756 -7.257 -3.546 576 HB2 LYS 93 1HB LYS 93 7.167 -6.053 -5.209 577 HB3 LYS 93 2HB LYS 93 5.540 -6.376 -5.801 578 HG2 LYS 93 1HG LYS 93 4.876 -4.035 -5.305 579 HG3 LYS 93 2HG LYS 93 6.487 -3.703 -4.661 580 HD2 LYS 93 1HD LYS 93 6.354 -2.801 -6.894 581 HD3 LYS 93 2HD LYS 93 7.472 -4.162 -6.886 582 HE2 LYS 93 1HE LYS 93 6.152 -4.325 -8.882 583 HE3 LYS 93 2HE LYS 93 5.654 -5.630 -7.808 584 HZ1 LYS 93 3HZ LYS 93 3.740 -4.575 -8.764 585 HZ2 LYS 93 1HZ LYS 93 3.715 -4.236 -7.177 586 HZ3 LYS 93 2HZ LYS 93 4.175 -3.087 -8.271 587 H VAL 94 H VAL 94 8.093 -6.710 -2.999 588 HA VAL 94 HA VAL 94 8.163 -5.588 -0.365 589 HB VAL 94 HB VAL 94 10.502 -6.255 -2.197 590 HG11 VAL 94 1HG1 VAL 94 11.292 -4.796 -0.388 591 HG12 VAL 94 2HG1 VAL 94 10.426 -5.774 0.820 592 HG13 VAL 94 3HG1 VAL 94 11.810 -6.449 -0.068 593 HG21 VAL 94 3HG2 VAL 94 10.607 -8.355 -0.842 594 HG22 VAL 94 1HG2 VAL 94 9.103 -7.883 -0.023 595 HG23 VAL 94 2HG2 VAL 94 9.111 -8.233 -1.767 596 H ALA 95 H ALA 95 8.739 -3.635 0.444 597 HA ALA 95 HA ALA 95 8.748 -1.368 -1.437 598 HB1 ALA 95 1HB ALA 95 7.229 -1.383 0.518 599 HB2 ALA 95 2HB ALA 95 8.624 -1.497 1.605 600 HB3 ALA 95 3HB ALA 95 8.376 -0.046 0.623 601 H PHE 96 H PHE 96 10.268 0.217 -1.606 602 HA PHE 96 HA PHE 96 12.993 -0.104 -0.707 603 HB2 PHE 96 1HB PHE 96 11.545 2.466 -1.455 604 HB3 PHE 96 2HB PHE 96 13.279 2.208 -1.454 605 HD1 PHE 96 2HD PHE 96 13.019 -0.658 -2.925 606 HD2 PHE 96 1HD PHE 96 11.547 3.326 -3.706 607 HE1 PHE 96 2HE PHE 96 12.863 -1.182 -5.335 608 HE2 PHE 96 1HE PHE 96 11.397 2.791 -6.119 609 HZ PHE 96 HZ PHE 96 12.044 0.533 -6.940 610 HA PRO 97 HA PRO 97 12.425 0.660 3.507 611 HB2 PRO 97 1HB PRO 97 14.745 1.910 4.360 612 HB3 PRO 97 2HB PRO 97 14.625 0.189 3.883 613 HG2 PRO 97 1HG PRO 97 15.498 2.541 2.172 614 HG3 PRO 97 2HG PRO 97 16.316 0.956 2.379 615 HD2 PRO 97 1HD PRO 97 14.725 1.414 0.250 616 HD3 PRO 97 2HD PRO 97 14.656 -0.164 1.092 617 H ARG 98 H ARG 98 11.901 2.064 5.181 618 HA ARG 98 HA ARG 98 11.078 4.775 4.423 619 HB2 ARG 98 1HB ARG 98 9.784 4.805 6.386 620 HB3 ARG 98 2HB ARG 98 9.579 3.206 5.685 621 HG2 ARG 98 1HG ARG 98 11.287 2.322 7.313 622 HG3 ARG 98 2HG ARG 98 11.330 3.907 8.074 623 HD2 ARG 98 1HD ARG 98 8.988 1.985 7.902 624 HD3 ARG 98 2HD ARG 98 9.877 2.448 9.347 625 HE ARG 98 HE ARG 98 7.564 3.705 8.313 626 HH11 ARG 98 1HH1 ARG 98 10.694 5.001 9.491 627 HH12 ARG 98 2HH1 ARG 98 9.891 6.313 10.279 628 HH21 ARG 98 1HH2 ARG 98 6.686 5.258 9.486 629 HH22 ARG 98 2HH2 ARG 98 7.653 6.518 10.223 630 H ARG 99 H ARG 99 11.464 6.553 6.153 631 HA ARG 99 HA ARG 99 14.309 6.939 6.560 632 HB2 ARG 99 1HB ARG 99 11.899 8.412 7.699 633 HB3 ARG 99 2HB ARG 99 13.566 8.920 7.935 634 HG2 ARG 99 1HG ARG 99 12.178 8.657 5.242 635 HG3 ARG 99 2HG ARG 99 12.424 10.168 6.112 636 HD2 ARG 99 1HD ARG 99 14.585 8.364 4.950 637 HD3 ARG 99 2HD ARG 99 14.026 9.898 4.281 638 HE ARG 99 HE ARG 99 14.794 10.642 6.788 639 HH11 ARG 99 1HH1 ARG 99 16.530 8.955 4.208 640 HH12 ARG 99 2HH1 ARG 99 18.078 9.531 4.750 641 HH21 ARG 99 1HH2 ARG 99 16.820 11.345 7.436 642 HH22 ARG 99 2HH2 ARG 99 18.234 10.873 6.544 643 H ALA 100 H ALA 100 15.587 6.599 8.253 644 HA ALA 100 HA ALA 100 14.754 5.877 10.936 645 HB1 ALA 100 1HB ALA 100 14.201 3.762 9.753 646 HB2 ALA 100 2HB ALA 100 15.840 3.707 9.070 647 HB3 ALA 100 3HB ALA 100 15.592 3.529 10.818 648 H GLN 101 H GLN 101 16.705 5.175 12.251 649 HA GLN 101 HA GLN 101 19.334 6.045 11.223 650 HB2 GLN 101 1HB GLN 101 17.902 7.217 13.652 651 HB3 GLN 101 2HB GLN 101 19.640 7.343 13.389 652 HG2 GLN 101 1HG GLN 101 19.208 8.513 11.218 653 HG3 GLN 101 2HG GLN 101 17.480 8.509 11.581 654 HE21 GLN 101 2HE2 GLN 101 19.554 10.791 11.312 655 HE22 GLN 101 1HE2 GLN 101 19.309 11.702 12.793 656 HA PRO 102 HA PRO 102 20.443 2.389 13.384 657 HB2 PRO 102 1HB PRO 102 23.139 2.671 13.772 658 HB3 PRO 102 2HB PRO 102 22.397 2.488 12.155 659 HG2 PRO 102 1HG PRO 102 23.172 5.068 13.560 660 HG3 PRO 102 2HG PRO 102 23.606 4.543 11.899 661 HD2 PRO 102 1HD PRO 102 21.504 6.191 12.345 662 HD3 PRO 102 2HD PRO 102 21.400 4.894 11.115 663 H LYS 103 H LYS 103 21.471 1.476 15.335 664 HA LYS 103 HA LYS 103 21.397 3.157 17.784 665 HB2 LYS 103 1HB LYS 103 19.704 0.662 17.311 666 HB3 LYS 103 2HB LYS 103 19.859 1.502 18.846 667 HG2 LYS 103 1HG LYS 103 18.634 2.696 16.323 668 HG3 LYS 103 2HG LYS 103 17.732 1.972 17.644 669 HD2 LYS 103 1HD LYS 103 18.424 3.651 19.213 670 HD3 LYS 103 2HD LYS 103 19.577 4.364 18.085 671 HE2 LYS 103 1HE LYS 103 16.576 4.238 17.576 672 HE3 LYS 103 2HE LYS 103 17.386 5.602 18.354 673 HZ1 LYS 103 3HZ LYS 103 17.166 6.025 16.003 674 HZ2 LYS 103 1HZ LYS 103 18.758 5.842 16.346 675 HZ3 LYS 103 2HZ LYS 103 17.948 4.646 15.590 676 H5' G 104 H5' G 104 -2.913 -0.162 -12.319 677 H5'' G 104 H5" G 104 -4.508 -0.097 -11.544 678 H4' G 104 H4' G 104 -3.737 1.528 -14.011 679 H3' G 104 H3' G 104 -2.879 1.967 -11.316 680 H2' G 104 H2' G 104 -4.942 2.654 -10.519 681 HO2' G 104 HO2 G 104 -3.620 4.799 -11.724 682 H1' G 104 H1' G 104 -5.601 3.809 -13.250 683 H8 G 104 8H G 104 -7.029 2.551 -9.907 684 H1 G 104 1H G 104 -11.458 4.505 -14.141 685 H21 G 104 1H2 G 104 -10.427 5.015 -16.081 686 H22 G 104 2H2 G 104 -8.689 4.806 -16.222 687 HO5' G 104 H5T G 104 -5.397 -0.756 -13.612 688 H5' U 105 H5' U 105 -1.283 3.205 -10.277 689 H5'' U 105 H5" U 105 -0.141 4.323 -11.024 690 H4' U 105 H4' U 105 0.753 3.400 -8.972 691 H3' U 105 H3' U 105 2.177 3.574 -11.311 692 H2' U 105 H2' U 105 1.864 1.339 -11.959 693 HO2' U 105 HO2 U 105 4.317 1.776 -10.945 694 H1' U 105 H1' U 105 2.323 0.429 -9.118 695 H3 U 105 3H U 105 1.928 -3.887 -10.533 696 H5 U 105 5H U 105 -1.155 -1.949 -12.593 697 H6 U 105 6H U 105 -0.445 0.164 -11.598 698 H5' A 106 H5' A 106 3.782 4.630 -6.961 699 H5'' A 106 H5" A 106 4.066 6.054 -7.956 700 H4' A 106 H4' A 106 5.008 6.464 -5.817 701 H3' A 106 H3' A 106 6.508 6.798 -8.093 702 H2' A 106 H2' A 106 7.583 4.710 -8.046 703 HO2' A 106 HO2 A 106 9.142 6.616 -6.710 704 H1' A 106 H1' A 106 8.013 4.866 -5.064 705 H8 A 106 8H A 106 7.114 2.509 -8.035 706 H61 A 106 1H6 A 106 9.119 -1.866 -3.988 707 H62 A 106 2H6 A 106 8.619 -1.640 -5.665 708 H2 A 106 2H A 106 9.132 1.925 -1.951 709 H5' G 107 H5' G 107 7.738 9.079 -3.520 710 H5'' G 107 H5" G 107 7.386 7.350 -3.452 711 H4' G 107 H4' G 107 5.479 9.182 -2.023 712 H3' G 107 H3' G 107 8.319 8.648 -1.097 713 H2' G 107 H2' G 107 7.523 8.609 1.087 714 HO2' G 107 HO2 G 107 6.084 10.639 0.437 715 H1' G 107 H1' G 107 4.887 7.730 0.333 716 H8 G 107 8H G 107 4.587 5.975 1.987 717 H1 G 107 1H G 107 10.721 4.051 1.826 718 H21 G 107 1H2 G 107 11.812 5.231 0.288 719 H22 G 107 2H2 G 107 10.962 6.397 -0.714 720 H5' U 108 H5' U 108 8.156 10.855 1.457 721 H5'' U 108 H5" U 108 9.268 12.216 1.541 722 H4' U 108 H4' U 108 10.796 11.089 2.827 723 H3' U 108 H3' U 108 10.415 8.777 1.125 724 HO3' U 108 H3T U 108 12.454 9.474 1.799 725 H2' U 108 H2' U 108 8.889 7.741 2.538 726 HO2' U 108 HO2 U 108 11.491 7.258 3.313 727 H1' U 108 H1' U 108 10.200 9.103 4.899 728 H3 U 108 3H U 108 7.504 6.701 7.640 729 H5 U 108 5H U 108 4.836 8.337 4.864 730 H6 U 108 6H U 108 6.737 9.197 3.590 Start of MODEL 14 1 H CYS 20 1H CYS 20 11.273 -5.900 5.650 2 HA CYS 20 HA CYS 20 8.961 -6.559 5.747 3 HB2 CYS 20 1HB CYS 20 7.446 -5.423 7.384 4 HB3 CYS 20 2HB CYS 20 8.625 -6.433 8.183 5 HG CYS 20 HG CYS 20 8.698 -3.124 7.717 6 H LYS 21 H LYS 21 7.084 -4.786 5.489 7 HA LYS 21 HA LYS 21 6.184 -2.980 4.592 8 HB2 LYS 21 1HB LYS 21 8.051 -1.579 5.477 9 HB3 LYS 21 2HB LYS 21 8.864 -1.733 3.910 10 HG2 LYS 21 1HG LYS 21 7.043 -0.632 2.761 11 HG3 LYS 21 2HG LYS 21 5.986 -0.779 4.160 12 HD2 LYS 21 1HD LYS 21 7.488 0.789 5.410 13 HD3 LYS 21 2HD LYS 21 8.427 1.019 3.919 14 HE2 LYS 21 1HE LYS 21 6.499 1.884 2.741 15 HE3 LYS 21 2HE LYS 21 5.393 1.376 4.038 16 HZ1 LYS 21 3HZ LYS 21 5.995 3.792 3.964 17 HZ2 LYS 21 1HZ LYS 21 6.190 3.058 5.433 18 HZ3 LYS 21 2HZ LYS 21 7.495 3.392 4.447 19 H MET 22 H MET 22 5.209 -2.582 2.769 20 HA MET 22 HA MET 22 6.252 -3.666 0.203 21 HB2 MET 22 1HB MET 22 3.561 -4.303 1.496 22 HB3 MET 22 2HB MET 22 4.047 -4.750 -0.143 23 HG2 MET 22 1HG MET 22 6.025 -5.990 0.886 24 HG3 MET 22 2HG MET 22 5.314 -5.662 2.461 25 HE1 MET 22 3HE MET 22 3.991 -8.652 -0.729 26 HE2 MET 22 1HE MET 22 3.834 -6.921 -1.099 27 HE3 MET 22 2HE MET 22 5.424 -7.611 -0.695 28 H PHE 23 H PHE 23 5.658 -2.653 -1.534 29 HA PHE 23 HA PHE 23 4.028 -0.166 -1.501 30 HB2 PHE 23 1HB PHE 23 6.086 0.025 -2.710 31 HB3 PHE 23 2HB PHE 23 5.893 -1.551 -3.464 32 HD1 PHE 23 1HD PHE 23 4.224 -1.900 -5.292 33 HD2 PHE 23 2HD PHE 23 5.071 2.010 -3.702 34 HE1 PHE 23 1HE PHE 23 3.225 -0.872 -7.309 35 HE2 PHE 23 2HE PHE 23 4.083 3.023 -5.731 36 HZ PHE 23 HZ PHE 23 3.154 1.607 -7.533 37 H ILE 24 H ILE 24 1.993 -0.163 -2.399 38 HA ILE 24 HA ILE 24 0.848 -2.824 -3.221 39 HB ILE 24 HB ILE 24 -0.679 -0.583 -1.875 40 HG12 ILE 24 1HG1 ILE 24 0.937 -1.156 -0.211 41 HG13 ILE 24 2HG1 ILE 24 -0.639 -1.781 0.221 42 HG21 ILE 24 1HG2 ILE 24 -1.946 -2.260 -3.197 43 HG22 ILE 24 2HG2 ILE 24 -1.275 -3.556 -2.201 44 HG23 ILE 24 3HG2 ILE 24 -2.326 -2.327 -1.471 45 HD11 ILE 24 3HD1 ILE 24 1.205 -3.327 0.793 46 HD12 ILE 24 1HD1 ILE 24 0.054 -4.063 -0.323 47 HD13 ILE 24 2HD1 ILE 24 1.624 -3.483 -0.915 48 H GLY 25 H GLY 25 0.949 -2.649 -5.436 49 HA2 GLY 25 1HA GLY 25 0.091 -0.151 -6.789 50 HA3 GLY 25 2HA GLY 25 0.875 -1.564 -7.519 51 H GLY 26 H GLY 26 -1.352 -0.165 -8.579 52 HA2 GLY 26 1HA GLY 26 -3.050 -0.892 -9.975 53 HA3 GLY 26 2HA GLY 26 -2.965 -2.511 -9.244 54 H LEU 27 H LEU 27 -3.450 0.144 -7.061 55 HA LEU 27 HA LEU 27 -5.962 -0.868 -6.064 56 HB2 LEU 27 1HB LEU 27 -4.654 1.864 -5.687 57 HB3 LEU 27 2HB LEU 27 -5.970 1.220 -4.730 58 HG LEU 27 HG LEU 27 -3.116 0.156 -4.760 59 HD11 LEU 27 1HD1 LEU 27 -3.538 2.340 -3.593 60 HD12 LEU 27 2HD1 LEU 27 -4.770 1.554 -2.604 61 HD13 LEU 27 3HD1 LEU 27 -3.068 1.044 -2.476 62 HD21 LEU 27 3HD2 LEU 27 -4.004 -1.208 -2.776 63 HD22 LEU 27 1HD2 LEU 27 -5.620 -0.924 -3.448 64 HD23 LEU 27 2HD2 LEU 27 -4.371 -1.753 -4.409 65 H SER 28 H SER 28 -7.924 0.512 -5.829 66 HA SER 28 HA SER 28 -8.778 1.678 -8.428 67 HB2 SER 28 1HB SER 28 -10.311 0.158 -7.200 68 HB3 SER 28 2HB SER 28 -10.302 1.283 -5.836 69 HG SER 28 HG SER 28 -12.087 1.516 -7.393 70 H TRP 29 H TRP 29 -9.436 3.874 -8.620 71 HA TRP 29 HA TRP 29 -8.148 5.868 -6.996 72 HB2 TRP 29 1HB TRP 29 -10.372 5.959 -9.032 73 HB3 TRP 29 2HB TRP 29 -9.780 7.394 -8.199 74 HD1 TRP 29 HD TRP 29 -6.783 5.432 -8.810 75 HE1 TRP 29 1HE TRP 29 -5.570 6.122 -10.932 76 HE3 TRP 29 3HE TRP 29 -10.528 8.137 -11.023 77 HZ2 TRP 29 2HZ TRP 29 -6.093 7.759 -13.262 78 HZ3 TRP 29 3HZ TRP 29 -10.154 9.206 -13.230 79 HH2 TRP 29 HH TRP 29 -7.947 9.028 -14.358 80 H GLN 30 H GLN 30 -10.900 3.993 -6.324 81 HA GLN 30 HA GLN 30 -12.079 5.873 -4.370 82 HB2 GLN 30 1HB GLN 30 -13.500 4.531 -5.815 83 HB3 GLN 30 2HB GLN 30 -12.737 3.040 -5.276 84 HG2 GLN 30 1HG GLN 30 -13.704 3.283 -3.046 85 HG3 GLN 30 2HG GLN 30 -14.325 4.891 -3.452 86 HE21 GLN 30 2HE2 GLN 30 -14.720 1.364 -4.072 87 HE22 GLN 30 1HE2 GLN 30 -16.335 1.544 -4.756 88 H THR 31 H THR 31 -9.501 3.530 -4.321 89 HA THR 31 HA THR 31 -10.071 2.344 -1.788 90 HB THR 31 HB THR 31 -7.406 2.478 -3.253 91 HG1 THR 31 1HG THR 31 -9.787 1.150 -3.665 92 HG21 THR 31 3HG2 THR 31 -7.083 0.233 -2.140 93 HG22 THR 31 1HG2 THR 31 -7.078 1.586 -1.008 94 HG23 THR 31 2HG2 THR 31 -8.520 0.551 -1.156 95 H THR 32 H THR 32 -9.333 2.658 0.225 96 HA THR 32 HA THR 32 -7.803 5.138 0.883 97 HB THR 32 HB THR 32 -9.049 5.164 3.004 98 HG1 THR 32 1HG THR 32 -10.907 3.750 3.109 99 HG21 THR 32 3HG2 THR 32 -11.198 5.912 2.186 100 HG22 THR 32 1HG2 THR 32 -9.945 6.428 1.044 101 HG23 THR 32 2HG2 THR 32 -10.985 5.041 0.653 102 H GLN 33 H GLN 33 -6.563 5.006 2.900 103 HA GLN 33 HA GLN 33 -4.969 2.572 2.991 104 HB2 GLN 33 1HB GLN 33 -3.699 3.783 4.760 105 HB3 GLN 33 2HB GLN 33 -3.785 4.532 3.179 106 HG2 GLN 33 1HG GLN 33 -5.623 6.056 4.092 107 HG3 GLN 33 2HG GLN 33 -5.211 5.426 5.694 108 HE21 GLN 33 2HE2 GLN 33 -3.809 6.892 6.747 109 HE22 GLN 33 1HE2 GLN 33 -2.601 7.850 5.906 110 H GLU 34 H GLU 34 -7.606 3.841 4.972 111 HA GLU 34 HA GLU 34 -7.488 1.819 7.000 112 HB2 GLU 34 1HB GLU 34 -9.985 3.140 5.846 113 HB3 GLU 34 2HB GLU 34 -9.807 2.341 7.404 114 HG2 GLU 34 1HG GLU 34 -9.597 4.461 8.150 115 HG3 GLU 34 2HG GLU 34 -7.903 4.215 7.754 116 H GLY 35 H GLY 35 -8.903 1.877 3.710 117 HA2 GLY 35 1HA GLY 35 -10.096 -0.750 3.775 118 HA3 GLY 35 2HA GLY 35 -9.692 0.213 2.335 119 H LEU 36 H LEU 36 -6.826 0.438 2.831 120 HA LEU 36 HA LEU 36 -5.839 -2.140 2.023 121 HB2 LEU 36 1HB LEU 36 -4.223 0.081 3.373 122 HB3 LEU 36 2HB LEU 36 -3.594 -1.297 2.502 123 HG LEU 36 HG LEU 36 -5.017 1.103 1.345 124 HD11 LEU 36 1HD1 LEU 36 -2.601 1.296 1.861 125 HD12 LEU 36 2HD1 LEU 36 -2.276 -0.115 0.831 126 HD13 LEU 36 3HD1 LEU 36 -2.916 1.376 0.117 127 HD21 LEU 36 3HD2 LEU 36 -4.739 0.028 -0.876 128 HD22 LEU 36 1HD2 LEU 36 -4.302 -1.495 -0.073 129 HD23 LEU 36 2HD2 LEU 36 -5.926 -0.783 0.134 130 H ARG 37 H ARG 37 -5.707 -0.552 5.264 131 HA ARG 37 HA ARG 37 -4.587 -2.768 6.624 132 HB2 ARG 37 1HB ARG 37 -4.796 -0.554 7.606 133 HB3 ARG 37 2HB ARG 37 -6.560 -0.657 7.591 134 HG2 ARG 37 1HG ARG 37 -6.493 -2.526 9.217 135 HG3 ARG 37 2HG ARG 37 -4.723 -2.497 9.184 136 HD2 ARG 37 1HD ARG 37 -4.867 -0.071 9.921 137 HD3 ARG 37 2HD ARG 37 -6.606 -0.293 10.100 138 HE ARG 37 HE ARG 37 -4.477 -1.252 11.866 139 HH11 ARG 37 1HH1 ARG 37 -7.884 -1.770 11.040 140 HH12 ARG 37 2HH1 ARG 37 -8.225 -2.528 12.566 141 HH21 ARG 37 1HH2 ARG 37 -4.994 -2.237 13.804 142 HH22 ARG 37 2HH2 ARG 37 -6.613 -2.790 14.101 143 H GLU 38 H GLU 38 -8.011 -2.151 5.858 144 HA GLU 38 HA GLU 38 -9.139 -4.287 7.246 145 HB2 GLU 38 1HB GLU 38 -10.134 -2.296 5.693 146 HB3 GLU 38 2HB GLU 38 -10.274 -3.623 4.534 147 HG2 GLU 38 1HG GLU 38 -11.489 -4.937 6.301 148 HG3 GLU 38 2HG GLU 38 -11.342 -3.537 7.375 149 H TYR 39 H TYR 39 -7.559 -4.346 4.056 150 HA TYR 39 HA TYR 39 -8.187 -7.181 3.559 151 HB2 TYR 39 1HB TYR 39 -8.208 -5.446 1.798 152 HB3 TYR 39 2HB TYR 39 -6.487 -5.173 2.040 153 HD1 TYR 39 1HD TYR 39 -8.974 -7.863 1.211 154 HD2 TYR 39 2HD TYR 39 -4.916 -6.467 0.802 155 HE1 TYR 39 1HE TYR 39 -8.493 -9.736 -0.347 156 HE2 TYR 39 2HE TYR 39 -4.429 -8.326 -0.767 157 HH TYR 39 HH TYR 39 -6.922 -10.795 -1.606 158 H PHE 40 H PHE 40 -5.303 -5.209 4.336 159 HA PHE 40 HA PHE 40 -3.526 -7.482 4.186 160 HB2 PHE 40 1HB PHE 40 -3.186 -4.550 4.777 161 HB3 PHE 40 2HB PHE 40 -1.865 -5.656 5.022 162 HD1 PHE 40 1HD PHE 40 -1.487 -7.413 2.962 163 HD2 PHE 40 2HD PHE 40 -3.474 -3.611 2.596 164 HE1 PHE 40 1HE PHE 40 -1.178 -7.479 0.505 165 HE2 PHE 40 2HE PHE 40 -3.187 -3.690 0.148 166 HZ PHE 40 HZ PHE 40 -2.033 -5.620 -0.911 167 H GLY 41 H GLY 41 -5.282 -5.998 6.820 168 HA2 GLY 41 1HA GLY 41 -3.866 -7.093 9.033 169 HA3 GLY 41 2HA GLY 41 -5.585 -6.666 8.985 170 H GLN 42 H GLN 42 -5.680 -8.760 6.612 171 HA GLN 42 HA GLN 42 -6.409 -11.078 8.235 172 HB2 GLN 42 1HB GLN 42 -6.231 -10.895 5.209 173 HB3 GLN 42 2HB GLN 42 -7.202 -12.005 6.170 174 HG2 GLN 42 1HG GLN 42 -7.632 -9.009 5.820 175 HG3 GLN 42 2HG GLN 42 -8.615 -10.290 5.155 176 HE21 GLN 42 2HE2 GLN 42 -9.339 -7.980 6.940 177 HE22 GLN 42 1HE2 GLN 42 -10.085 -8.739 8.347 178 H PHE 43 H PHE 43 -3.519 -10.049 6.582 179 HA PHE 43 HA PHE 43 -2.302 -12.775 6.620 180 HB2 PHE 43 1HB PHE 43 -1.226 -10.144 5.528 181 HB3 PHE 43 2HB PHE 43 -0.526 -11.731 5.317 182 HD1 PHE 43 1HD PHE 43 -3.280 -9.494 4.322 183 HD2 PHE 43 2HD PHE 43 -1.476 -13.327 3.682 184 HE1 PHE 43 1HE PHE 43 -4.586 -9.742 2.223 185 HE2 PHE 43 2HE PHE 43 -2.777 -13.601 1.591 186 HZ PHE 43 HZ PHE 43 -4.340 -11.805 0.859 187 H GLY 44 H GLY 44 -1.982 -9.533 8.077 188 HA2 GLY 44 1HA GLY 44 -1.001 -10.547 10.556 189 HA3 GLY 44 2HA GLY 44 0.350 -9.894 9.645 190 H GLU 45 H GLU 45 -0.633 -8.836 12.127 191 HA GLU 45 HA GLU 45 -2.292 -6.536 11.785 192 HB2 GLU 45 1HB GLU 45 -1.804 -7.615 13.952 193 HB3 GLU 45 2HB GLU 45 -0.127 -7.058 13.868 194 HG2 GLU 45 1HG GLU 45 -0.846 -4.725 13.990 195 HG3 GLU 45 2HG GLU 45 -2.540 -5.193 13.813 196 H VAL 46 H VAL 46 -1.864 -4.509 10.994 197 HA VAL 46 HA VAL 46 0.761 -4.099 9.776 198 HB VAL 46 HB VAL 46 -0.138 -2.449 8.415 199 HG11 VAL 46 1HG1 VAL 46 -0.726 -4.795 7.822 200 HG12 VAL 46 2HG1 VAL 46 -2.299 -4.580 8.629 201 HG13 VAL 46 3HG1 VAL 46 -1.893 -3.610 7.210 202 HG21 VAL 46 3HG2 VAL 46 -2.479 -1.661 8.483 203 HG22 VAL 46 1HG2 VAL 46 -2.648 -2.413 10.094 204 HG23 VAL 46 2HG2 VAL 46 -1.494 -1.081 9.828 205 H LYS 47 H LYS 47 2.189 -2.615 10.228 206 HA LYS 47 HA LYS 47 2.155 -1.111 12.764 207 HB2 LYS 47 1HB LYS 47 4.056 -2.452 12.004 208 HB3 LYS 47 2HB LYS 47 4.217 -1.458 10.556 209 HG2 LYS 47 1HG LYS 47 4.794 0.504 11.873 210 HG3 LYS 47 2HG LYS 47 4.453 -0.343 13.387 211 HD2 LYS 47 1HD LYS 47 6.610 -1.137 11.381 212 HD3 LYS 47 2HD LYS 47 6.911 -0.131 12.793 213 HE2 LYS 47 1HE LYS 47 5.779 -2.965 12.944 214 HE3 LYS 47 2HE LYS 47 7.492 -2.596 13.015 215 HZ1 LYS 47 3HZ LYS 47 6.573 -2.791 15.235 216 HZ2 LYS 47 1HZ LYS 47 7.086 -1.259 15.001 217 HZ3 LYS 47 2HZ LYS 47 5.485 -1.604 14.961 218 H GLU 48 H GLU 48 1.696 -0.507 9.354 219 HA GLU 48 HA GLU 48 0.968 2.306 9.620 220 HB2 GLU 48 1HB GLU 48 3.394 2.544 9.736 221 HB3 GLU 48 2HB GLU 48 3.605 1.414 8.415 222 HG2 GLU 48 1HG GLU 48 2.569 3.076 6.850 223 HG3 GLU 48 2HG GLU 48 2.520 4.230 8.195 224 H CYS 49 H CYS 49 -0.269 2.895 7.842 225 HA CYS 49 HA CYS 49 -0.057 1.399 5.327 226 HB2 CYS 49 1HB CYS 49 -2.503 1.126 5.117 227 HB3 CYS 49 2HB CYS 49 -1.835 0.177 6.453 228 HG CYS 49 HG CYS 49 -4.320 1.493 6.726 229 H LEU 50 H LEU 50 -0.547 2.629 3.529 230 HA LEU 50 HA LEU 50 -1.247 5.503 3.875 231 HB2 LEU 50 1HB LEU 50 1.278 4.376 2.633 232 HB3 LEU 50 2HB LEU 50 0.740 6.026 2.400 233 HG LEU 50 HG LEU 50 1.535 4.855 5.091 234 HD11 LEU 50 1HD1 LEU 50 3.413 5.000 3.478 235 HD12 LEU 50 2HD1 LEU 50 3.040 6.713 3.182 236 HD13 LEU 50 3HD1 LEU 50 3.592 6.172 4.787 237 HD21 LEU 50 3HD2 LEU 50 1.563 7.232 5.815 238 HD22 LEU 50 1HD2 LEU 50 0.953 7.730 4.221 239 HD23 LEU 50 2HD2 LEU 50 -0.060 6.756 5.306 240 H VAL 51 H VAL 51 -2.164 6.426 2.119 241 HA VAL 51 HA VAL 51 -1.952 5.097 -0.557 242 HB VAL 51 HB VAL 51 -4.507 6.185 0.690 243 HG11 VAL 51 1HG1 VAL 51 -4.379 7.149 -1.561 244 HG12 VAL 51 2HG1 VAL 51 -3.926 5.569 -2.243 245 HG13 VAL 51 3HG1 VAL 51 -5.547 5.835 -1.563 246 HG21 VAL 51 3HG2 VAL 51 -5.421 3.992 -0.029 247 HG22 VAL 51 1HG2 VAL 51 -3.830 3.530 -0.668 248 HG23 VAL 51 2HG2 VAL 51 -4.059 3.776 1.075 249 H MET 52 H MET 52 -1.257 6.414 -2.065 250 HA MET 52 HA MET 52 -0.375 9.099 -1.221 251 HB2 MET 52 1HB MET 52 0.340 7.260 -3.530 252 HB3 MET 52 2HB MET 52 1.061 8.861 -3.281 253 HG2 MET 52 1HG MET 52 1.186 6.675 -1.177 254 HG3 MET 52 2HG MET 52 2.413 6.941 -2.394 255 HE1 MET 52 3HE MET 52 2.068 8.980 1.556 256 HE2 MET 52 1HE MET 52 0.625 8.351 0.726 257 HE3 MET 52 2HE MET 52 2.002 7.272 1.063 258 H ARG 53 H ARG 53 -3.034 9.257 -1.514 259 HA ARG 53 HA ARG 53 -3.908 9.781 -4.158 260 HB2 ARG 53 1HB ARG 53 -5.993 10.526 -3.213 261 HB3 ARG 53 2HB ARG 53 -5.440 9.078 -2.378 262 HG2 ARG 53 1HG ARG 53 -4.639 10.497 -0.479 263 HG3 ARG 53 2HG ARG 53 -5.274 11.928 -1.323 264 HD2 ARG 53 1HD ARG 53 -7.537 10.851 -1.354 265 HD3 ARG 53 2HD ARG 53 -6.881 9.510 -0.395 266 HE ARG 53 HE ARG 53 -6.239 11.871 0.987 267 HH11 ARG 53 1HH1 ARG 53 -9.222 10.177 0.112 268 HH12 ARG 53 2HH1 ARG 53 -10.088 10.813 1.479 269 HH21 ARG 53 1HH2 ARG 53 -7.416 12.652 2.727 270 HH22 ARG 53 2HH2 ARG 53 -9.078 12.190 2.937 271 H ASP 54 H ASP 54 -4.517 11.606 -5.244 272 HA ASP 54 HA ASP 54 -2.921 14.019 -4.904 273 HB2 ASP 54 1HB ASP 54 -3.465 13.150 -7.115 274 HB3 ASP 54 2HB ASP 54 -5.191 13.219 -6.765 275 HA PRO 55 HA PRO 55 -5.992 15.662 -2.115 276 HB2 PRO 55 1HB PRO 55 -4.994 18.142 -1.566 277 HB3 PRO 55 2HB PRO 55 -4.153 16.639 -1.071 278 HG2 PRO 55 1HG PRO 55 -3.639 18.327 -3.547 279 HG3 PRO 55 2HG PRO 55 -2.443 17.747 -2.342 280 HD2 PRO 55 1HD PRO 55 -2.903 16.412 -4.679 281 HD3 PRO 55 2HD PRO 55 -2.555 15.537 -3.157 282 H LEU 56 H LEU 56 -5.601 17.041 -5.311 283 HA LEU 56 HA LEU 56 -7.763 19.020 -4.959 284 HB2 LEU 56 1HB LEU 56 -6.129 18.186 -7.396 285 HB3 LEU 56 2HB LEU 56 -7.219 19.550 -7.286 286 HG LEU 56 HG LEU 56 -4.599 19.227 -5.760 287 HD11 LEU 56 1HD1 LEU 56 -4.331 19.684 -8.169 288 HD12 LEU 56 2HD1 LEU 56 -5.388 21.107 -8.027 289 HD13 LEU 56 3HD1 LEU 56 -3.820 21.069 -7.189 290 HD21 LEU 56 3HD2 LEU 56 -4.941 21.599 -5.063 291 HD22 LEU 56 1HD2 LEU 56 -6.578 21.553 -5.753 292 HD23 LEU 56 2HD2 LEU 56 -6.154 20.519 -4.368 293 H THR 57 H THR 57 -7.155 15.923 -6.575 294 HA THR 57 HA THR 57 -9.998 15.791 -7.517 295 HB THR 57 HB THR 57 -9.184 14.236 -9.207 296 HG1 THR 57 1HG THR 57 -6.624 14.800 -8.088 297 HG21 THR 57 3HG2 THR 57 -7.925 15.756 -10.591 298 HG22 THR 57 1HG2 THR 57 -9.139 16.682 -9.693 299 HG23 THR 57 2HG2 THR 57 -7.434 16.729 -9.188 300 H LYS 58 H LYS 58 -7.984 14.426 -5.188 301 HA LYS 58 HA LYS 58 -8.204 12.832 -3.647 302 HB2 LYS 58 1HB LYS 58 -11.101 12.881 -4.555 303 HB3 LYS 58 2HB LYS 58 -10.529 11.827 -3.280 304 HG2 LYS 58 1HG LYS 58 -11.504 13.823 -2.354 305 HG3 LYS 58 2HG LYS 58 -9.803 13.690 -1.915 306 HD2 LYS 58 1HD LYS 58 -9.192 15.456 -3.456 307 HD3 LYS 58 2HD LYS 58 -10.825 15.475 -4.166 308 HE2 LYS 58 1HE LYS 58 -11.765 16.240 -2.027 309 HE3 LYS 58 2HE LYS 58 -10.176 16.121 -1.255 310 HZ1 LYS 58 3HZ LYS 58 -10.699 18.400 -1.939 311 HZ2 LYS 58 1HZ LYS 58 -9.370 17.851 -2.721 312 HZ3 LYS 58 2HZ LYS 58 -10.809 17.948 -3.508 313 H ARG 59 H ARG 59 -8.116 12.061 -6.803 314 HA ARG 59 HA ARG 59 -8.417 9.219 -6.960 315 HB2 ARG 59 1HB ARG 59 -6.489 11.105 -8.373 316 HB3 ARG 59 2HB ARG 59 -6.773 9.420 -8.827 317 HG2 ARG 59 1HG ARG 59 -9.144 9.895 -9.290 318 HG3 ARG 59 2HG ARG 59 -8.931 11.587 -8.827 319 HD2 ARG 59 1HD ARG 59 -7.422 10.220 -11.086 320 HD3 ARG 59 2HD ARG 59 -8.882 11.205 -11.300 321 HE ARG 59 HE ARG 59 -7.224 12.874 -9.888 322 HH11 ARG 59 1HH2 ARG 59 -6.786 11.187 -12.967 323 HH12 ARG 59 2HH2 ARG 59 -5.672 12.386 -13.561 324 HH21 ARG 59 1HH1 ARG 59 -5.810 14.341 -10.675 325 HH22 ARG 59 2HH1 ARG 59 -5.124 14.172 -12.268 326 H SER 60 H SER 60 -7.291 7.605 -6.130 327 HA SER 60 HA SER 60 -5.195 7.899 -4.206 328 HB2 SER 60 1HB SER 60 -5.252 5.489 -4.155 329 HB3 SER 60 2HB SER 60 -6.916 6.071 -4.379 330 HG SER 60 HG SER 60 -6.626 4.478 -5.871 331 H ARG 61 H ARG 61 -4.894 8.110 -7.553 332 HA ARG 61 HA ARG 61 -3.263 7.911 -9.106 333 HB2 ARG 61 1HB ARG 61 -1.283 7.686 -6.796 334 HB3 ARG 61 2HB ARG 61 -0.872 7.860 -8.494 335 HG2 ARG 61 1HG ARG 61 -1.976 10.061 -8.592 336 HG3 ARG 61 2HG ARG 61 -2.453 9.910 -6.895 337 HD2 ARG 61 1HD ARG 61 -0.468 11.309 -7.046 338 HD3 ARG 61 2HD ARG 61 -0.088 9.796 -6.216 339 HE ARG 61 HE ARG 61 0.473 9.940 -9.123 340 HH11 ARG 61 1HH1 ARG 61 1.934 10.129 -5.869 341 HH12 ARG 61 2HH1 ARG 61 3.485 9.592 -6.512 342 HH21 ARG 61 1HH2 ARG 61 2.591 9.301 -9.755 343 HH22 ARG 61 2HH2 ARG 61 3.821 9.187 -8.501 344 H GLY 62 H GLY 62 -4.425 5.452 -7.419 345 HA2 GLY 62 1HA GLY 62 -4.628 3.231 -7.942 346 HA3 GLY 62 2HA GLY 62 -3.394 3.408 -9.210 347 H PHE 63 H PHE 63 -2.425 4.442 -5.980 348 HA PHE 63 HA PHE 63 -1.465 1.814 -5.251 349 HB2 PHE 63 1HB PHE 63 0.822 2.022 -5.568 350 HB3 PHE 63 2HB PHE 63 0.171 2.653 -7.057 351 HD1 PHE 63 1HD PHE 63 0.068 5.227 -7.347 352 HD2 PHE 63 2HD PHE 63 2.154 3.316 -4.094 353 HE1 PHE 63 1HE PHE 63 1.285 7.333 -6.881 354 HE2 PHE 63 2HE PHE 63 3.423 5.398 -3.689 355 HZ PHE 63 HZ PHE 63 2.965 7.421 -5.022 356 H GLY 64 H GLY 64 -0.176 1.696 -3.363 357 HA2 GLY 64 1HA GLY 64 0.138 4.020 -1.586 358 HA3 GLY 64 2HA GLY 64 -1.011 2.816 -1.030 359 H PHE 65 H PHE 65 0.340 2.485 0.779 360 HA PHE 65 HA PHE 65 2.481 0.478 0.378 361 HB2 PHE 65 1HB PHE 65 2.838 3.114 1.848 362 HB3 PHE 65 2HB PHE 65 3.817 1.715 2.188 363 HD1 PHE 65 1HD PHE 65 3.066 4.319 -0.377 364 HD2 PHE 65 2HD PHE 65 5.584 0.989 0.753 365 HE1 PHE 65 1HE PHE 65 4.771 5.033 -2.011 366 HE2 PHE 65 2HE PHE 65 7.288 1.732 -0.878 367 HZ PHE 65 HZ PHE 65 6.886 3.779 -2.255 368 H VAL 66 H VAL 66 2.774 -0.898 2.142 369 HA VAL 66 HA VAL 66 1.293 -0.373 4.664 370 HB VAL 66 HB VAL 66 0.968 -2.962 3.091 371 HG11 VAL 66 1HG1 VAL 66 1.182 -3.525 5.478 372 HG12 VAL 66 2HG1 VAL 66 0.003 -2.259 5.900 373 HG13 VAL 66 3HG1 VAL 66 -0.498 -3.688 4.978 374 HG21 VAL 66 3HG2 VAL 66 -1.453 -2.449 3.208 375 HG22 VAL 66 1HG2 VAL 66 -1.102 -0.910 4.018 376 HG23 VAL 66 2HG2 VAL 66 -0.588 -1.187 2.344 377 H THR 67 H THR 67 2.380 -0.957 6.415 378 HA THR 67 HA THR 67 4.852 -2.645 6.207 379 HB THR 67 HB THR 67 4.338 -0.484 8.264 380 HG1 THR 67 1HG THR 67 5.212 0.940 6.907 381 HG21 THR 67 3HG2 THR 67 6.832 -0.581 8.493 382 HG22 THR 67 1HG2 THR 67 6.037 -2.092 8.956 383 HG23 THR 67 2HG2 THR 67 6.847 -1.972 7.386 384 H PHE 68 H PHE 68 5.079 -4.231 7.770 385 HA PHE 68 HA PHE 68 2.614 -4.882 9.321 386 HB2 PHE 68 1HB PHE 68 4.803 -6.587 8.097 387 HB3 PHE 68 2HB PHE 68 3.600 -7.204 9.210 388 HD1 PHE 68 1HD PHE 68 4.076 -5.773 5.806 389 HD2 PHE 68 2HD PHE 68 1.296 -7.557 8.575 390 HE1 PHE 68 1HE PHE 68 2.494 -6.200 3.942 391 HE2 PHE 68 2HE PHE 68 -0.285 -7.974 6.714 392 HZ PHE 68 HZ PHE 68 0.314 -7.307 4.394 393 H MET 69 H MET 69 2.749 -5.765 11.403 394 HA MET 69 HA MET 69 4.866 -4.826 13.156 395 HB2 MET 69 1HB MET 69 2.587 -6.796 13.576 396 HB3 MET 69 2HB MET 69 3.657 -6.223 14.856 397 HG2 MET 69 1HG MET 69 1.834 -4.448 13.186 398 HG3 MET 69 2HG MET 69 1.515 -5.033 14.813 399 HE1 MET 69 3HE MET 69 1.954 -1.357 15.667 400 HE2 MET 69 1HE MET 69 1.016 -2.202 14.413 401 HE3 MET 69 2HE MET 69 1.107 -2.869 16.054 402 H ASP 70 H ASP 70 4.653 -7.599 11.152 403 HA ASP 70 HA ASP 70 7.287 -8.484 11.992 404 HB2 ASP 70 1HB ASP 70 5.653 -9.744 13.515 405 HB3 ASP 70 2HB ASP 70 5.038 -10.523 12.054 406 H GLN 71 H GLN 71 8.253 -9.903 10.463 407 HA GLN 71 HA GLN 71 7.681 -9.368 7.720 408 HB2 GLN 71 1HB GLN 71 9.892 -9.934 8.801 409 HB3 GLN 71 2HB GLN 71 9.328 -11.585 9.004 410 HG2 GLN 71 1HG GLN 71 10.808 -11.427 7.069 411 HG3 GLN 71 2HG GLN 71 9.193 -11.858 6.541 412 HE21 GLN 71 2HE2 GLN 71 10.081 -11.106 4.384 413 HE22 GLN 71 1HE2 GLN 71 10.017 -9.386 4.043 414 H ALA 72 H ALA 72 6.531 -11.949 9.847 415 HA ALA 72 HA ALA 72 5.894 -13.926 7.956 416 HB1 ALA 72 1HB ALA 72 5.874 -14.239 10.405 417 HB2 ALA 72 2HB ALA 72 4.440 -13.190 10.537 418 HB3 ALA 72 3HB ALA 72 4.334 -14.746 9.684 419 H GLY 73 H GLY 73 4.153 -10.892 8.486 420 HA2 GLY 73 1HA GLY 73 1.848 -11.784 6.870 421 HA3 GLY 73 2HA GLY 73 2.138 -10.140 7.473 422 H VAL 74 H VAL 74 4.908 -10.170 6.301 423 HA VAL 74 HA VAL 74 4.269 -9.208 3.610 424 HB VAL 74 HB VAL 74 6.936 -9.678 5.004 425 HG11 VAL 74 1HG1 VAL 74 7.371 -9.950 2.642 426 HG12 VAL 74 2HG1 VAL 74 6.446 -8.486 2.252 427 HG13 VAL 74 3HG1 VAL 74 7.966 -8.371 3.156 428 HG21 VAL 74 3HG2 VAL 74 7.051 -7.212 5.032 429 HG22 VAL 74 1HG2 VAL 74 5.432 -7.130 4.312 430 HG23 VAL 74 2HG2 VAL 74 5.662 -7.812 5.940 431 H ASP 75 H ASP 75 5.941 -12.058 5.034 432 HA ASP 75 HA ASP 75 6.641 -13.465 2.747 433 HB2 ASP 75 1HB ASP 75 7.151 -14.030 5.152 434 HB3 ASP 75 2HB ASP 75 5.510 -14.620 5.333 435 H LYS 76 H LYS 76 3.454 -13.595 4.413 436 HA LYS 76 HA LYS 76 2.276 -15.530 2.666 437 HB2 LYS 76 1HB LYS 76 1.026 -13.325 4.351 438 HB3 LYS 76 2HB LYS 76 0.141 -14.667 3.586 439 HG2 LYS 76 1HG LYS 76 1.137 -16.311 4.971 440 HG3 LYS 76 2HG LYS 76 2.355 -15.182 5.587 441 HD2 LYS 76 1HD LYS 76 0.519 -13.779 6.560 442 HD3 LYS 76 2HD LYS 76 -0.674 -14.975 6.008 443 HE2 LYS 76 1HE LYS 76 0.419 -16.692 7.420 444 HE3 LYS 76 2HE LYS 76 1.623 -15.491 7.936 445 HZ1 LYS 76 3HZ LYS 76 -0.100 -15.651 9.592 446 HZ2 LYS 76 1HZ LYS 76 -0.243 -14.185 8.865 447 HZ3 LYS 76 2HZ LYS 76 -1.287 -15.390 8.499 448 H VAL 77 H VAL 77 2.363 -11.974 2.448 449 HA VAL 77 HA VAL 77 0.460 -11.834 0.274 450 HB VAL 77 HB VAL 77 2.503 -9.804 1.211 451 HG11 VAL 77 1HG1 VAL 77 1.867 -9.232 -1.119 452 HG12 VAL 77 2HG1 VAL 77 0.150 -9.366 -0.689 453 HG13 VAL 77 3HG1 VAL 77 1.158 -8.089 0.020 454 HG21 VAL 77 3HG2 VAL 77 0.587 -8.723 2.312 455 HG22 VAL 77 1HG2 VAL 77 -0.538 -9.908 1.611 456 HG23 VAL 77 2HG2 VAL 77 0.627 -10.411 2.834 457 H LEU 78 H LEU 78 4.001 -12.252 0.385 458 HA LEU 78 HA LEU 78 4.357 -12.045 -2.511 459 HB2 LEU 78 1HB LEU 78 6.058 -13.365 -0.365 460 HB3 LEU 78 2HB LEU 78 6.594 -12.934 -1.985 461 HG LEU 78 HG LEU 78 5.648 -10.879 0.069 462 HD11 LEU 78 1HD1 LEU 78 7.509 -12.141 0.925 463 HD12 LEU 78 2HD1 LEU 78 8.422 -11.932 -0.586 464 HD13 LEU 78 3HD1 LEU 78 8.082 -10.519 0.451 465 HD21 LEU 78 3HD2 LEU 78 6.859 -9.281 -1.358 466 HD22 LEU 78 1HD2 LEU 78 7.191 -10.570 -2.538 467 HD23 LEU 78 2HD2 LEU 78 5.516 -10.046 -2.215 468 H ALA 79 H ALA 79 3.964 -14.706 -0.169 469 HA ALA 79 HA ALA 79 4.399 -16.798 -2.014 470 HB1 ALA 79 1HB ALA 79 4.615 -17.026 0.428 471 HB2 ALA 79 2HB ALA 79 2.859 -16.808 0.620 472 HB3 ALA 79 3HB ALA 79 3.495 -18.239 -0.214 473 H GLN 80 H GLN 80 1.439 -14.989 -1.375 474 HA GLN 80 HA GLN 80 -0.279 -16.875 -2.843 475 HB2 GLN 80 1HB GLN 80 -1.099 -15.676 -0.862 476 HB3 GLN 80 2HB GLN 80 -0.831 -14.123 -1.659 477 HG2 GLN 80 1HG GLN 80 -2.500 -14.661 -3.367 478 HG3 GLN 80 2HG GLN 80 -2.692 -16.296 -2.734 479 HE21 GLN 80 2HE2 GLN 80 -4.381 -13.540 -2.906 480 HE22 GLN 80 1HE2 GLN 80 -5.225 -13.632 -1.356 481 H SER 81 H SER 81 -0.813 -16.745 -4.986 482 HA SER 81 HA SER 81 0.880 -15.151 -6.649 483 HB2 SER 81 1HB SER 81 -1.442 -16.930 -7.458 484 HB3 SER 81 2HB SER 81 -0.075 -16.427 -8.466 485 HG SER 81 HG SER 81 0.217 -18.551 -7.618 486 H ARG 82 H ARG 82 -2.236 -14.310 -5.477 487 HA ARG 82 HA ARG 82 -2.524 -12.055 -7.317 488 HB2 ARG 82 1HB ARG 82 -3.419 -14.043 -8.570 489 HB3 ARG 82 2HB ARG 82 -4.602 -14.290 -7.284 490 HG2 ARG 82 1HG ARG 82 -5.638 -12.095 -7.801 491 HG3 ARG 82 2HG ARG 82 -4.346 -11.751 -8.965 492 HD2 ARG 82 1HD ARG 82 -6.250 -12.463 -10.214 493 HD3 ARG 82 2HD ARG 82 -5.046 -13.766 -10.269 494 HE ARG 82 HE ARG 82 -6.921 -14.130 -8.095 495 HH11 ARG 82 1HH2 ARG 82 -6.710 -14.556 -11.601 496 HH12 ARG 82 2HH2 ARG 82 -7.913 -15.811 -11.611 497 HH21 ARG 82 1HH1 ARG 82 -8.457 -15.762 -8.179 498 HH22 ARG 82 2HH1 ARG 82 -8.890 -16.476 -9.701 499 H HIS 83 H HIS 83 -3.972 -10.491 -6.584 500 HA HIS 83 HA HIS 83 -5.438 -10.897 -4.027 501 HB2 HIS 83 1HB HIS 83 -3.275 -8.836 -4.604 502 HB3 HIS 83 2HB HIS 83 -4.404 -8.710 -3.252 503 HD1 HIS 83 1HD HIS 83 -4.108 -10.632 -1.300 504 HD2 HIS 83 2HD HIS 83 -1.183 -10.434 -4.313 505 HE1 HIS 83 1HE HIS 83 -2.092 -11.960 -0.443 506 H GLU 84 H GLU 84 -7.076 -9.260 -3.642 507 HA GLU 84 HA GLU 84 -7.871 -7.460 -5.848 508 HB2 GLU 84 1HB GLU 84 -8.655 -9.747 -6.515 509 HB3 GLU 84 2HB GLU 84 -9.577 -9.837 -5.010 510 HG2 GLU 84 1HG GLU 84 -10.852 -7.780 -5.742 511 HG3 GLU 84 2HG GLU 84 -9.956 -7.815 -7.264 512 H LEU 85 H LEU 85 -8.798 -5.740 -5.072 513 HA LEU 85 HA LEU 85 -10.336 -5.665 -2.572 514 HB2 LEU 85 1HB LEU 85 -8.054 -5.523 -1.715 515 HB3 LEU 85 2HB LEU 85 -7.630 -4.323 -2.944 516 HG LEU 85 HG LEU 85 -9.130 -2.669 -1.881 517 HD11 LEU 85 1HD1 LEU 85 -10.831 -4.074 -0.840 518 HD12 LEU 85 2HD1 LEU 85 -9.619 -4.876 0.168 519 HD13 LEU 85 3HD1 LEU 85 -10.010 -3.161 0.429 520 HD21 LEU 85 3HD2 LEU 85 -7.754 -2.305 0.128 521 HD22 LEU 85 1HD2 LEU 85 -7.111 -3.956 -0.003 522 HD23 LEU 85 2HD2 LEU 85 -6.765 -2.763 -1.270 523 H ASP 86 H ASP 86 -11.867 -4.141 -2.722 524 HA ASP 86 HA ASP 86 -13.182 -2.472 -3.475 525 HB2 ASP 86 1HB ASP 86 -11.147 -1.301 -2.528 526 HB3 ASP 86 2HB ASP 86 -10.586 -1.068 -4.181 527 H SER 87 H SER 87 -12.920 -4.498 -5.294 528 HA SER 87 HA SER 87 -13.526 -5.141 -7.374 529 HB2 SER 87 1HB SER 87 -14.208 -2.236 -7.929 530 HB3 SER 87 2HB SER 87 -14.730 -3.656 -8.838 531 HG SER 87 HG SER 87 -15.348 -3.102 -6.106 532 H LYS 88 H LYS 88 -10.669 -4.382 -6.887 533 HA LYS 88 HA LYS 88 -9.820 -4.333 -9.723 534 HB2 LYS 88 1HB LYS 88 -9.153 -2.327 -7.566 535 HB3 LYS 88 2HB LYS 88 -7.834 -2.847 -8.592 536 HG2 LYS 88 1HG LYS 88 -10.429 -1.725 -9.712 537 HG3 LYS 88 2HG LYS 88 -9.016 -0.739 -9.316 538 HD2 LYS 88 1HD LYS 88 -7.624 -2.020 -10.913 539 HD3 LYS 88 2HD LYS 88 -8.990 -3.065 -11.293 540 HE2 LYS 88 1HE LYS 88 -8.810 -1.517 -13.070 541 HE3 LYS 88 2HE LYS 88 -10.263 -1.102 -12.158 542 HZ1 LYS 88 3HZ LYS 88 -8.875 0.832 -12.772 543 HZ2 LYS 88 1HZ LYS 88 -9.056 0.722 -11.151 544 HZ3 LYS 88 2HZ LYS 88 -7.639 0.275 -11.855 545 H THR 89 H THR 89 -8.186 -5.686 -10.167 546 HA THR 89 HA THR 89 -7.099 -7.504 -8.146 547 HB THR 89 HB THR 89 -6.232 -7.110 -11.038 548 HG1 THR 89 1HG THR 89 -7.712 -8.787 -11.440 549 HG21 THR 89 3HG2 THR 89 -5.480 -9.456 -10.836 550 HG22 THR 89 1HG2 THR 89 -4.667 -8.453 -9.626 551 HG23 THR 89 2HG2 THR 89 -6.017 -9.503 -9.144 552 H ILE 90 H ILE 90 -5.333 -7.082 -6.933 553 HA ILE 90 HA ILE 90 -3.701 -4.662 -7.625 554 HB ILE 90 HB ILE 90 -3.285 -4.337 -5.270 555 HG12 ILE 90 1HG1 ILE 90 -5.238 -6.573 -4.649 556 HG13 ILE 90 2HG1 ILE 90 -3.475 -6.651 -4.483 557 HG21 ILE 90 1HG2 ILE 90 -5.224 -3.244 -6.408 558 HG22 ILE 90 2HG2 ILE 90 -6.274 -4.583 -5.911 559 HG23 ILE 90 3HG2 ILE 90 -5.581 -3.523 -4.700 560 HD11 ILE 90 3HD1 ILE 90 -4.329 -6.166 -2.320 561 HD12 ILE 90 1HD1 ILE 90 -3.589 -4.664 -2.929 562 HD13 ILE 90 2HD1 ILE 90 -5.353 -4.858 -2.928 563 H ASP 91 H ASP 91 -1.527 -4.607 -7.101 564 HA ASP 91 HA ASP 91 -0.137 -7.255 -7.301 565 HB2 ASP 91 1HB ASP 91 -0.490 -6.214 -9.491 566 HB3 ASP 91 2HB ASP 91 0.268 -4.730 -8.918 567 HA PRO 92 HA PRO 92 1.822 -4.669 -3.988 568 HB2 PRO 92 1HB PRO 92 1.547 -6.398 -1.862 569 HB3 PRO 92 2HB PRO 92 0.319 -5.199 -2.348 570 HG2 PRO 92 1HG PRO 92 0.366 -8.154 -2.944 571 HG3 PRO 92 2HG PRO 92 -1.037 -7.094 -2.529 572 HD2 PRO 92 1HD PRO 92 -0.420 -7.864 -5.090 573 HD3 PRO 92 2HD PRO 92 -1.266 -6.352 -4.644 574 H LYS 93 H LYS 93 3.884 -4.844 -3.219 575 HA LYS 93 HA LYS 93 5.546 -7.232 -3.666 576 HB2 LYS 93 1HB LYS 93 6.945 -6.077 -5.371 577 HB3 LYS 93 2HB LYS 93 5.299 -6.376 -5.924 578 HG2 LYS 93 1HG LYS 93 4.685 -4.030 -5.482 579 HG3 LYS 93 2HG LYS 93 6.288 -3.705 -4.815 580 HD2 LYS 93 1HD LYS 93 6.175 -2.821 -7.064 581 HD3 LYS 93 2HD LYS 93 7.313 -4.165 -7.009 582 HE2 LYS 93 1HE LYS 93 6.032 -4.361 -9.036 583 HE3 LYS 93 2HE LYS 93 5.556 -5.675 -7.961 584 HZ1 LYS 93 3HZ LYS 93 3.626 -4.677 -8.948 585 HZ2 LYS 93 1HZ LYS 93 3.573 -4.336 -7.364 586 HZ3 LYS 93 2HZ LYS 93 4.012 -3.176 -8.452 587 H VAL 94 H VAL 94 7.890 -6.755 -3.177 588 HA VAL 94 HA VAL 94 8.087 -5.594 -0.571 589 HB VAL 94 HB VAL 94 10.348 -6.323 -2.480 590 HG11 VAL 94 1HG1 VAL 94 11.219 -4.873 -0.701 591 HG12 VAL 94 2HG1 VAL 94 10.376 -5.834 0.537 592 HG13 VAL 94 3HG1 VAL 94 11.719 -6.534 -0.393 593 HG21 VAL 94 3HG2 VAL 94 10.460 -8.420 -1.117 594 HG22 VAL 94 1HG2 VAL 94 8.984 -7.921 -0.263 595 HG23 VAL 94 2HG2 VAL 94 8.947 -8.276 -2.007 596 H ALA 95 H ALA 95 8.717 -3.637 0.179 597 HA ALA 95 HA ALA 95 8.640 -1.400 -1.701 598 HB1 ALA 95 1HB ALA 95 7.378 -1.350 0.403 599 HB2 ALA 95 2HB ALA 95 8.886 -1.521 1.331 600 HB3 ALA 95 3HB ALA 95 8.586 -0.055 0.380 601 H PHE 96 H PHE 96 10.199 0.018 -2.224 602 HA PHE 96 HA PHE 96 13.000 -0.435 -1.809 603 HB2 PHE 96 1HB PHE 96 11.528 2.118 -2.573 604 HB3 PHE 96 2HB PHE 96 13.233 1.821 -2.820 605 HD1 PHE 96 1HD PHE 96 12.579 -1.231 -3.861 606 HD2 PHE 96 2HD PHE 96 11.357 2.775 -4.917 607 HE1 PHE 96 1HE PHE 96 12.107 -1.977 -6.166 608 HE2 PHE 96 2HE PHE 96 10.894 2.015 -7.230 609 HZ PHE 96 HZ PHE 96 11.258 -0.364 -7.858 610 HA PRO 97 HA PRO 97 14.066 1.249 2.093 611 HB2 PRO 97 1HB PRO 97 15.793 3.293 0.674 612 HB3 PRO 97 2HB PRO 97 16.186 2.291 2.111 613 HG2 PRO 97 1HG PRO 97 17.066 1.517 -0.315 614 HG3 PRO 97 2HG PRO 97 16.313 0.300 0.769 615 HD2 PRO 97 1HD PRO 97 15.070 1.782 -1.555 616 HD3 PRO 97 2HD PRO 97 14.966 0.045 -1.138 617 H ARG 98 H ARG 98 13.988 3.016 3.602 618 HA ARG 98 HA ARG 98 12.056 5.153 2.840 619 HB2 ARG 98 1HB ARG 98 10.663 4.600 4.620 620 HB3 ARG 98 2HB ARG 98 11.037 3.065 3.854 621 HG2 ARG 98 1HG ARG 98 12.577 2.457 5.630 622 HG3 ARG 98 2HG ARG 98 12.451 4.050 6.379 623 HD2 ARG 98 1HD ARG 98 10.184 2.061 6.107 624 HD3 ARG 98 2HD ARG 98 11.109 2.393 7.583 625 HE ARG 98 HE ARG 98 10.210 4.882 6.954 626 HH11 ARG 98 1HH1 ARG 98 8.490 1.852 7.580 627 HH12 ARG 98 2HH1 ARG 98 6.930 2.658 7.597 628 HH21 ARG 98 1HH2 ARG 98 8.140 5.828 7.031 629 HH22 ARG 98 2HH2 ARG 98 6.767 4.839 7.506 630 H ARG 99 H ARG 99 11.763 6.850 4.449 631 HA ARG 99 HA ARG 99 14.194 7.904 5.644 632 HB2 ARG 99 1HB ARG 99 12.284 9.240 4.762 633 HB3 ARG 99 2HB ARG 99 11.377 8.783 6.222 634 HG2 ARG 99 1HG ARG 99 13.142 9.795 7.634 635 HG3 ARG 99 2HG ARG 99 14.109 10.179 6.187 636 HD2 ARG 99 1HD ARG 99 12.353 11.647 5.346 637 HD3 ARG 99 2HD ARG 99 11.291 11.129 6.670 638 HE ARG 99 HE ARG 99 13.675 12.206 7.791 639 HH11 ARG 99 1HH1 ARG 99 10.843 13.415 6.045 640 HH12 ARG 99 2HH1 ARG 99 10.966 14.997 6.758 641 HH21 ARG 99 1HH2 ARG 99 13.773 14.265 8.675 642 HH22 ARG 99 2HH2 ARG 99 12.603 15.468 8.225 643 H ALA 100 H ALA 100 15.045 7.409 7.561 644 HA ALA 100 HA ALA 100 13.622 6.563 9.941 645 HB1 ALA 100 1HB ALA 100 13.485 4.452 8.648 646 HB2 ALA 100 2HB ALA 100 15.237 4.502 8.351 647 HB3 ALA 100 3HB ALA 100 14.610 4.262 9.994 648 H GLN 101 H GLN 101 15.272 5.849 11.655 649 HA GLN 101 HA GLN 101 17.459 7.747 11.773 650 HB2 GLN 101 1HB GLN 101 16.108 7.060 13.727 651 HB3 GLN 101 2HB GLN 101 16.747 5.413 13.591 652 HG2 GLN 101 1HG GLN 101 19.050 6.325 14.017 653 HG3 GLN 101 2HG GLN 101 18.346 7.936 14.211 654 HE21 GLN 101 2HE2 GLN 101 16.953 8.327 16.135 655 HE22 GLN 101 1HE2 GLN 101 17.067 7.224 17.497 656 HA PRO 102 HA PRO 102 20.383 4.973 9.783 657 HB2 PRO 102 1HB PRO 102 22.726 6.312 10.184 658 HB3 PRO 102 2HB PRO 102 21.444 6.893 9.080 659 HG2 PRO 102 1HG PRO 102 21.968 7.764 11.939 660 HG3 PRO 102 2HG PRO 102 21.667 8.790 10.502 661 HD2 PRO 102 1HD PRO 102 19.684 8.120 12.279 662 HD3 PRO 102 2HD PRO 102 19.364 8.322 10.532 663 H LYS 103 H LYS 103 20.541 3.074 10.765 664 HA LYS 103 HA LYS 103 22.483 2.564 12.919 665 HB2 LYS 103 1HB LYS 103 19.506 1.918 13.121 666 HB3 LYS 103 2HB LYS 103 20.727 1.122 14.097 667 HG2 LYS 103 1HG LYS 103 20.122 4.106 14.186 668 HG3 LYS 103 2HG LYS 103 19.521 2.892 15.305 669 HD2 LYS 103 1HD LYS 103 21.801 2.359 16.056 670 HD3 LYS 103 2HD LYS 103 22.483 3.479 14.879 671 HE2 LYS 103 1HE LYS 103 22.518 4.496 17.054 672 HE3 LYS 103 2HE LYS 103 21.436 5.390 15.983 673 HZ1 LYS 103 3HZ LYS 103 20.540 4.980 18.258 674 HZ2 LYS 103 1HZ LYS 103 19.556 4.443 17.079 675 HZ3 LYS 103 2HZ LYS 103 20.470 3.378 17.948 676 H5' G 104 H5' G 104 -5.506 -0.391 -13.287 677 H5'' G 104 H5" G 104 -4.035 -0.269 -12.320 678 H4' G 104 H4' G 104 -4.144 1.412 -14.123 679 H3' G 104 H3' G 104 -3.272 1.889 -11.541 680 H2' G 104 H2' G 104 -5.189 2.873 -10.706 681 HO2' G 104 HO2 G 104 -3.584 4.824 -11.910 682 H1' G 104 H1' G 104 -5.778 4.330 -13.279 683 H8 G 104 8H G 104 -7.187 2.638 -10.136 684 H1 G 104 1H G 104 -11.536 5.704 -13.760 685 H21 G 104 1H2 G 104 -10.542 6.367 -15.673 686 H22 G 104 2H2 G 104 -8.850 5.989 -15.945 687 HO5' G 104 H5T G 104 -5.620 -0.456 -10.810 688 H5' U 105 H5' U 105 -1.592 3.016 -10.419 689 H5'' U 105 H5" U 105 -0.471 4.102 -11.244 690 H4' U 105 H4' U 105 0.462 3.277 -9.157 691 H3' U 105 H3' U 105 1.840 3.381 -11.527 692 H2' U 105 H2' U 105 1.545 1.125 -12.095 693 HO2' U 105 HO2 U 105 4.005 1.626 -11.168 694 H1' U 105 H1' U 105 2.065 0.299 -9.241 695 H3 U 105 3H U 105 1.751 -4.030 -10.654 696 H5 U 105 5H U 105 -1.479 -2.187 -12.570 697 H6 U 105 6H U 105 -0.808 -0.062 -11.584 698 H5' A 106 H5' A 106 3.582 4.579 -7.253 699 H5'' A 106 H5" A 106 3.856 5.987 -8.276 700 H4' A 106 H4' A 106 4.873 6.412 -6.177 701 H3' A 106 H3' A 106 6.313 6.690 -8.497 702 H2' A 106 H2' A 106 7.335 4.570 -8.458 703 HO2' A 106 HO2 A 106 8.986 6.458 -7.204 704 H1' A 106 H1' A 106 7.875 4.772 -5.498 705 H8 A 106 8H A 106 6.813 2.379 -8.388 706 H61 A 106 1H6 A 106 8.805 -1.976 -4.309 707 H62 A 106 2H6 A 106 8.257 -1.771 -5.975 708 H2 A 106 2H A 106 9.002 1.847 -2.357 709 H5' G 107 H5' G 107 7.706 8.811 -3.970 710 H5'' G 107 H5" G 107 7.153 7.140 -3.828 711 H4' G 107 H4' G 107 5.467 9.226 -2.478 712 H3' G 107 H3' G 107 8.252 8.464 -1.551 713 H2' G 107 H2' G 107 7.448 8.710 0.662 714 HO2' G 107 HO2 G 107 6.246 10.767 0.000 715 H1' G 107 H1' G 107 4.816 7.836 0.038 716 H8 G 107 8H G 107 4.603 6.125 1.776 717 H1 G 107 1H G 107 10.601 3.903 1.040 718 H21 G 107 1H2 G 107 11.636 5.085 -0.472 719 H22 G 107 2H2 G 107 10.793 6.329 -1.398 720 H5' U 108 H5' U 108 10.201 12.041 1.402 721 H5'' U 108 H5" U 108 11.244 11.025 0.401 722 H4' U 108 H4' U 108 11.587 10.411 2.666 723 H3' U 108 H3' U 108 10.567 8.475 0.787 724 HO3' U 108 H3T U 108 12.029 7.175 2.007 725 H2' U 108 H2' U 108 8.755 7.826 2.013 726 HO2' U 108 HO2 U 108 9.249 6.373 3.788 727 H1' U 108 H1' U 108 9.921 8.753 4.613 728 H3 U 108 3H U 108 5.913 7.548 6.417 729 H5 U 108 5H U 108 4.853 10.142 3.309 730 H6 U 108 6H U 108 7.187 10.196 2.597 Start of MODEL 15 1 H CYS 20 1H CYS 20 10.490 -4.429 6.743 2 HA CYS 20 HA CYS 20 8.997 -6.298 6.469 3 HB2 CYS 20 1HB CYS 20 7.722 -5.314 9.074 4 HB3 CYS 20 2HB CYS 20 7.151 -6.635 8.074 5 HG CYS 20 HG CYS 20 9.360 -8.094 8.261 6 H LYS 21 H LYS 21 8.828 -4.643 4.645 7 HA LYS 21 HA LYS 21 6.265 -3.177 4.814 8 HB2 LYS 21 1HB LYS 21 8.076 -1.662 5.682 9 HB3 LYS 21 2HB LYS 21 8.863 -1.745 4.103 10 HG2 LYS 21 1HG LYS 21 6.931 -0.696 3.031 11 HG3 LYS 21 2HG LYS 21 5.975 -0.855 4.506 12 HD2 LYS 21 1HD LYS 21 7.509 0.744 5.648 13 HD3 LYS 21 2HD LYS 21 8.402 0.939 4.124 14 HE2 LYS 21 1HE LYS 21 6.413 1.754 2.983 15 HE3 LYS 21 2HE LYS 21 5.382 1.361 4.377 16 HZ1 LYS 21 3HZ LYS 21 6.062 3.753 4.096 17 HZ2 LYS 21 1HZ LYS 21 6.300 3.111 5.600 18 HZ3 LYS 21 2HZ LYS 21 7.567 3.327 4.539 19 H MET 22 H MET 22 5.272 -2.644 2.955 20 HA MET 22 HA MET 22 6.339 -3.716 0.389 21 HB2 MET 22 1HB MET 22 3.606 -4.293 1.608 22 HB3 MET 22 2HB MET 22 4.158 -4.786 0.003 23 HG2 MET 22 1HG MET 22 6.070 -6.025 1.148 24 HG3 MET 22 2HG MET 22 5.299 -5.645 2.682 25 HE1 MET 22 3HE MET 22 4.066 -8.688 -0.485 26 HE2 MET 22 1HE MET 22 3.925 -6.964 -0.897 27 HE3 MET 22 2HE MET 22 5.498 -7.645 -0.424 28 H PHE 23 H PHE 23 5.803 -2.700 -1.361 29 HA PHE 23 HA PHE 23 4.212 -0.187 -1.376 30 HB2 PHE 23 1HB PHE 23 6.304 -0.024 -2.540 31 HB3 PHE 23 2HB PHE 23 6.103 -1.596 -3.298 32 HD1 PHE 23 2HD PHE 23 4.516 -1.918 -5.185 33 HD2 PHE 23 1HD PHE 23 5.270 1.975 -3.514 34 HE1 PHE 23 2HE PHE 23 3.557 -0.869 -7.213 35 HE2 PHE 23 1HE PHE 23 4.324 3.012 -5.548 36 HZ PHE 23 HZ PHE 23 3.459 1.613 -7.398 37 H ILE 24 H ILE 24 2.200 -0.164 -2.304 38 HA ILE 24 HA ILE 24 1.043 -2.813 -3.144 39 HB ILE 24 HB ILE 24 -0.490 -0.544 -1.856 40 HG12 ILE 24 1HG1 ILE 24 1.092 -1.122 -0.154 41 HG13 ILE 24 2HG1 ILE 24 -0.506 -1.711 0.245 42 HG21 ILE 24 1HG2 ILE 24 -1.754 -2.217 -3.176 43 HG22 ILE 24 2HG2 ILE 24 -1.097 -3.516 -2.174 44 HG23 ILE 24 3HG2 ILE 24 -2.150 -2.288 -1.451 45 HD11 ILE 24 3HD1 ILE 24 1.301 -3.295 0.869 46 HD12 ILE 24 1HD1 ILE 24 0.158 -4.017 -0.266 47 HD13 ILE 24 2HD1 ILE 24 1.751 -3.468 -0.828 48 H GLY 25 H GLY 25 1.272 -2.630 -5.353 49 HA2 GLY 25 1HA GLY 25 0.447 -0.165 -6.765 50 HA3 GLY 25 2HA GLY 25 1.181 -1.621 -7.464 51 H GLY 26 H GLY 26 -0.972 -0.248 -8.616 52 HA2 GLY 26 1HA GLY 26 -2.740 -0.932 -9.917 53 HA3 GLY 26 2HA GLY 26 -2.625 -2.555 -9.200 54 H LEU 27 H LEU 27 -3.116 0.174 -7.069 55 HA LEU 27 HA LEU 27 -5.590 -0.883 -6.000 56 HB2 LEU 27 1HB LEU 27 -4.297 1.861 -5.681 57 HB3 LEU 27 2HB LEU 27 -5.653 1.272 -4.748 58 HG LEU 27 HG LEU 27 -2.820 0.171 -4.650 59 HD11 LEU 27 1HD1 LEU 27 -3.303 2.375 -3.522 60 HD12 LEU 27 2HD1 LEU 27 -4.546 1.577 -2.559 61 HD13 LEU 27 3HD1 LEU 27 -2.842 1.092 -2.387 62 HD21 LEU 27 3HD2 LEU 27 -3.835 -1.137 -2.655 63 HD22 LEU 27 1HD2 LEU 27 -5.388 -0.902 -3.478 64 HD23 LEU 27 2HD2 LEU 27 -4.048 -1.739 -4.299 65 H SER 28 H SER 28 -7.567 0.465 -5.763 66 HA SER 28 HA SER 28 -8.573 1.394 -8.385 67 HB2 SER 28 1HB SER 28 -9.867 0.027 -6.573 68 HB3 SER 28 2HB SER 28 -9.995 1.563 -5.715 69 HG SER 28 HG SER 28 -11.778 1.208 -7.022 70 H TRP 29 H TRP 29 -9.204 3.600 -8.771 71 HA TRP 29 HA TRP 29 -7.655 5.653 -7.585 72 HB2 TRP 29 1HB TRP 29 -10.227 5.760 -9.161 73 HB3 TRP 29 2HB TRP 29 -9.324 7.188 -8.667 74 HD1 TRP 29 HD TRP 29 -6.400 5.763 -9.358 75 HE1 TRP 29 1HE TRP 29 -5.657 5.717 -11.782 76 HE3 TRP 29 3HE TRP 29 -10.958 6.460 -11.607 77 HZ2 TRP 29 2HZ TRP 29 -6.841 6.165 -14.397 78 HZ3 TRP 29 3HZ TRP 29 -11.112 6.653 -14.075 79 HH2 TRP 29 HH TRP 29 -9.064 6.516 -15.478 80 H GLN 30 H GLN 30 -10.449 4.183 -6.287 81 HA GLN 30 HA GLN 30 -10.816 6.366 -4.280 82 HB2 GLN 30 1HB GLN 30 -13.090 5.578 -4.021 83 HB3 GLN 30 2HB GLN 30 -12.760 5.948 -5.712 84 HG2 GLN 30 1HG GLN 30 -12.463 3.520 -6.190 85 HG3 GLN 30 2HG GLN 30 -12.769 3.147 -4.494 86 HE21 GLN 30 2HE2 GLN 30 -14.387 1.739 -5.777 87 HE22 GLN 30 1HE2 GLN 30 -15.988 2.458 -6.013 88 H THR 31 H THR 31 -9.021 3.620 -4.374 89 HA THR 31 HA THR 31 -9.797 2.299 -1.917 90 HB THR 31 HB THR 31 -7.075 2.466 -3.282 91 HG1 THR 31 1HG THR 31 -9.121 0.489 -3.377 92 HG21 THR 31 3HG2 THR 31 -6.717 0.261 -2.086 93 HG22 THR 31 1HG2 THR 31 -6.755 1.658 -1.013 94 HG23 THR 31 2HG2 THR 31 -8.173 0.590 -1.133 95 H THR 32 H THR 32 -9.171 2.673 0.174 96 HA THR 32 HA THR 32 -7.659 5.178 0.790 97 HB THR 32 HB THR 32 -8.953 5.333 2.848 98 HG1 THR 32 1HG THR 32 -10.769 3.867 3.045 99 HG21 THR 32 3HG2 THR 32 -11.116 5.944 1.962 100 HG22 THR 32 1HG2 THR 32 -9.881 6.389 0.771 101 HG23 THR 32 2HG2 THR 32 -10.879 4.940 0.516 102 H GLN 33 H GLN 33 -6.414 5.155 2.756 103 HA GLN 33 HA GLN 33 -4.841 2.746 3.059 104 HB2 GLN 33 1HB GLN 33 -3.628 4.056 4.791 105 HB3 GLN 33 2HB GLN 33 -3.709 4.724 3.171 106 HG2 GLN 33 1HG GLN 33 -5.551 6.281 3.967 107 HG3 GLN 33 2HG GLN 33 -5.192 5.726 5.609 108 HE21 GLN 33 2HE2 GLN 33 -3.910 7.344 6.613 109 HE22 GLN 33 1HE2 GLN 33 -2.632 8.213 5.779 110 H GLU 34 H GLU 34 -7.628 3.914 4.787 111 HA GLU 34 HA GLU 34 -7.380 2.002 6.990 112 HB2 GLU 34 1HB GLU 34 -9.799 3.452 5.833 113 HB3 GLU 34 2HB GLU 34 -9.821 2.428 7.276 114 HG2 GLU 34 1HG GLU 34 -8.143 3.918 8.357 115 HG3 GLU 34 2HG GLU 34 -8.177 4.976 6.943 116 H GLY 35 H GLY 35 -8.839 2.003 3.716 117 HA2 GLY 35 1HA GLY 35 -9.966 -0.637 3.787 118 HA3 GLY 35 2HA GLY 35 -9.539 0.311 2.343 119 H LEU 36 H LEU 36 -6.679 0.561 2.945 120 HA LEU 36 HA LEU 36 -5.664 -2.002 2.168 121 HB2 LEU 36 1HB LEU 36 -4.105 0.223 3.578 122 HB3 LEU 36 2HB LEU 36 -3.431 -1.159 2.744 123 HG LEU 36 HG LEU 36 -4.820 1.224 1.510 124 HD11 LEU 36 1HD1 LEU 36 -2.422 1.430 2.115 125 HD12 LEU 36 2HD1 LEU 36 -2.057 0.019 1.100 126 HD13 LEU 36 3HD1 LEU 36 -2.680 1.503 0.360 127 HD21 LEU 36 3HD2 LEU 36 -4.445 0.140 -0.693 128 HD22 LEU 36 1HD2 LEU 36 -4.043 -1.377 0.140 129 HD23 LEU 36 2HD2 LEU 36 -5.671 -0.663 0.282 130 H ARG 37 H ARG 37 -5.589 -0.487 5.465 131 HA ARG 37 HA ARG 37 -4.538 -2.787 6.740 132 HB2 ARG 37 1HB ARG 37 -4.770 -0.591 7.836 133 HB3 ARG 37 2HB ARG 37 -6.535 -0.751 7.840 134 HG2 ARG 37 1HG ARG 37 -6.389 -2.727 9.322 135 HG3 ARG 37 2HG ARG 37 -4.621 -2.677 9.216 136 HD2 ARG 37 1HD ARG 37 -4.718 -0.374 10.223 137 HD3 ARG 37 2HD ARG 37 -6.462 -0.595 10.427 138 HE ARG 37 HE ARG 37 -4.699 -2.668 11.641 139 HH11 ARG 37 1HH1 ARG 37 -6.486 0.327 12.296 140 HH12 ARG 37 2HH1 ARG 37 -6.649 -0.047 13.985 141 HH21 ARG 37 1HH2 ARG 37 -5.043 -3.131 13.788 142 HH22 ARG 37 2HH2 ARG 37 -5.814 -1.955 14.823 143 H GLU 38 H GLU 38 -7.918 -2.015 5.975 144 HA GLU 38 HA GLU 38 -9.164 -4.175 7.223 145 HB2 GLU 38 1HB GLU 38 -10.042 -2.055 5.782 146 HB3 GLU 38 2HB GLU 38 -10.237 -3.303 4.549 147 HG2 GLU 38 1HG GLU 38 -11.532 -4.650 6.235 148 HG3 GLU 38 2HG GLU 38 -11.328 -3.317 7.383 149 H TYR 39 H TYR 39 -7.532 -4.142 4.056 150 HA TYR 39 HA TYR 39 -8.248 -6.942 3.465 151 HB2 TYR 39 1HB TYR 39 -8.145 -5.206 1.720 152 HB3 TYR 39 2HB TYR 39 -6.428 -4.974 2.030 153 HD1 TYR 39 1HD TYR 39 -8.958 -7.578 1.083 154 HD2 TYR 39 2HD TYR 39 -4.828 -6.356 0.916 155 HE1 TYR 39 1HE TYR 39 -8.441 -9.540 -0.346 156 HE2 TYR 39 2HE TYR 39 -4.306 -8.299 -0.536 157 HH TYR 39 HH TYR 39 -6.820 -10.731 -1.415 158 H PHE 40 H PHE 40 -5.322 -5.120 4.405 159 HA PHE 40 HA PHE 40 -3.644 -7.459 4.174 160 HB2 PHE 40 1HB PHE 40 -3.179 -4.567 4.861 161 HB3 PHE 40 2HB PHE 40 -1.907 -5.730 5.103 162 HD1 PHE 40 2HD PHE 40 -1.572 -7.463 3.021 163 HD2 PHE 40 1HD PHE 40 -3.359 -3.557 2.694 164 HE1 PHE 40 2HE PHE 40 -1.203 -7.490 0.571 165 HE2 PHE 40 1HE PHE 40 -2.997 -3.592 0.253 166 HZ PHE 40 HZ PHE 40 -1.918 -5.558 -0.821 167 H GLY 41 H GLY 41 -5.398 -6.132 6.859 168 HA2 GLY 41 1HA GLY 41 -3.991 -7.374 9.008 169 HA3 GLY 41 2HA GLY 41 -5.713 -6.949 8.981 170 H GLN 42 H GLN 42 -5.698 -8.899 6.450 171 HA GLN 42 HA GLN 42 -6.503 -11.344 7.812 172 HB2 GLN 42 1HB GLN 42 -5.848 -10.833 4.874 173 HB3 GLN 42 2HB GLN 42 -6.698 -12.236 5.524 174 HG2 GLN 42 1HG GLN 42 -8.550 -10.757 6.295 175 HG3 GLN 42 2HG GLN 42 -7.710 -9.364 5.607 176 HE21 GLN 42 2HE2 GLN 42 -7.225 -9.461 3.205 177 HE22 GLN 42 1HE2 GLN 42 -8.406 -10.281 2.184 178 H PHE 43 H PHE 43 -3.485 -10.145 6.454 179 HA PHE 43 HA PHE 43 -2.201 -12.823 6.557 180 HB2 PHE 43 1HB PHE 43 -1.111 -10.197 5.479 181 HB3 PHE 43 2HB PHE 43 -0.451 -11.797 5.245 182 HD1 PHE 43 1HD PHE 43 -1.481 -13.374 3.650 183 HD2 PHE 43 2HD PHE 43 -3.143 -9.469 4.265 184 HE1 PHE 43 1HE PHE 43 -2.848 -13.638 1.595 185 HE2 PHE 43 2HE PHE 43 -4.511 -9.709 2.209 186 HZ PHE 43 HZ PHE 43 -4.374 -11.807 0.876 187 H GLY 44 H GLY 44 -2.008 -9.595 8.010 188 HA2 GLY 44 1HA GLY 44 -1.115 -10.490 10.540 189 HA3 GLY 44 2HA GLY 44 0.292 -9.898 9.671 190 H GLU 45 H GLU 45 -0.900 -8.705 12.063 191 HA GLU 45 HA GLU 45 -2.442 -6.386 11.372 192 HB2 GLU 45 1HB GLU 45 -2.378 -7.320 13.640 193 HB3 GLU 45 2HB GLU 45 -0.665 -6.920 13.782 194 HG2 GLU 45 1HG GLU 45 -2.073 -5.326 14.984 195 HG3 GLU 45 2HG GLU 45 -1.168 -4.524 13.712 196 H VAL 46 H VAL 46 -1.806 -4.192 11.234 197 HA VAL 46 HA VAL 46 0.825 -3.932 9.878 198 HB VAL 46 HB VAL 46 -0.124 -2.251 8.506 199 HG11 VAL 46 1HG1 VAL 46 -0.458 -4.629 7.843 200 HG12 VAL 46 2HG1 VAL 46 -2.066 -4.597 8.604 201 HG13 VAL 46 3HG1 VAL 46 -1.722 -3.557 7.215 202 HG21 VAL 46 3HG2 VAL 46 -2.622 -1.806 8.588 203 HG22 VAL 46 1HG2 VAL 46 -2.580 -2.435 10.239 204 HG23 VAL 46 2HG2 VAL 46 -1.616 -1.002 9.796 205 H LYS 47 H LYS 47 2.189 -2.405 10.271 206 HA LYS 47 HA LYS 47 2.094 -0.901 12.808 207 HB2 LYS 47 1HB LYS 47 3.966 -2.372 12.066 208 HB3 LYS 47 2HB LYS 47 4.259 -1.307 10.692 209 HG2 LYS 47 1HG LYS 47 4.835 0.546 12.207 210 HG3 LYS 47 2HG LYS 47 4.438 -0.450 13.611 211 HD2 LYS 47 1HD LYS 47 6.675 -0.991 11.605 212 HD3 LYS 47 2HD LYS 47 6.871 -0.278 13.213 213 HE2 LYS 47 1HE LYS 47 5.907 -2.382 14.217 214 HE3 LYS 47 2HE LYS 47 5.869 -3.097 12.597 215 HZ1 LYS 47 3HZ LYS 47 7.875 -3.729 13.796 216 HZ2 LYS 47 1HZ LYS 47 8.284 -2.832 12.492 217 HZ3 LYS 47 2HZ LYS 47 8.321 -2.171 13.988 218 H GLU 48 H GLU 48 1.707 -0.309 9.417 219 HA GLU 48 HA GLU 48 1.016 2.495 9.650 220 HB2 GLU 48 1HB GLU 48 3.366 2.878 9.793 221 HB3 GLU 48 2HB GLU 48 3.726 1.637 8.619 222 HG2 GLU 48 1HG GLU 48 2.787 3.070 6.809 223 HG3 GLU 48 2HG GLU 48 2.516 4.344 8.012 224 H CYS 49 H CYS 49 -0.198 3.072 7.870 225 HA CYS 49 HA CYS 49 -0.195 1.430 5.405 226 HB2 CYS 49 1HB CYS 49 -2.554 1.786 7.287 227 HB3 CYS 49 2HB CYS 49 -2.817 1.647 5.536 228 HG CYS 49 HG CYS 49 -0.754 -0.354 7.089 229 H LEU 50 H LEU 50 -0.451 2.685 3.603 230 HA LEU 50 HA LEU 50 -1.182 5.566 3.882 231 HB2 LEU 50 1HB LEU 50 1.409 4.377 2.853 232 HB3 LEU 50 2HB LEU 50 0.894 5.999 2.434 233 HG LEU 50 HG LEU 50 1.500 5.065 5.266 234 HD11 LEU 50 1HD1 LEU 50 3.484 5.140 3.778 235 HD12 LEU 50 2HD1 LEU 50 3.085 6.814 3.322 236 HD13 LEU 50 3HD1 LEU 50 3.541 6.421 4.997 237 HD21 LEU 50 3HD2 LEU 50 1.458 7.518 5.769 238 HD22 LEU 50 1HD2 LEU 50 0.884 7.834 4.116 239 HD23 LEU 50 2HD2 LEU 50 -0.129 6.929 5.265 240 H VAL 51 H VAL 51 -2.072 6.474 2.118 241 HA VAL 51 HA VAL 51 -1.779 5.157 -0.554 242 HB VAL 51 HB VAL 51 -4.374 6.240 0.619 243 HG11 VAL 51 1HG1 VAL 51 -4.178 7.139 -1.662 244 HG12 VAL 51 2HG1 VAL 51 -3.731 5.534 -2.284 245 HG13 VAL 51 3HG1 VAL 51 -5.359 5.837 -1.643 246 HG21 VAL 51 3HG2 VAL 51 -5.260 4.024 -0.060 247 HG22 VAL 51 1HG2 VAL 51 -3.649 3.548 -0.631 248 HG23 VAL 51 2HG2 VAL 51 -3.935 3.855 1.095 249 H MET 52 H MET 52 -1.093 6.498 -2.050 250 HA MET 52 HA MET 52 -0.269 9.193 -1.180 251 HB2 MET 52 1HB MET 52 0.514 7.382 -3.490 252 HB3 MET 52 2HB MET 52 1.211 8.988 -3.205 253 HG2 MET 52 1HG MET 52 1.318 6.786 -1.113 254 HG3 MET 52 2HG MET 52 2.561 7.060 -2.312 255 HE1 MET 52 3HE MET 52 2.163 9.044 1.648 256 HE2 MET 52 1HE MET 52 0.734 8.410 0.796 257 HE3 MET 52 2HE MET 52 2.125 7.344 1.120 258 H ARG 53 H ARG 53 -2.944 9.274 -1.539 259 HA ARG 53 HA ARG 53 -3.762 9.793 -4.201 260 HB2 ARG 53 1HB ARG 53 -5.897 10.447 -3.312 261 HB3 ARG 53 2HB ARG 53 -5.313 9.024 -2.458 262 HG2 ARG 53 1HG ARG 53 -4.631 10.465 -0.537 263 HG3 ARG 53 2HG ARG 53 -5.270 11.880 -1.404 264 HD2 ARG 53 1HD ARG 53 -7.507 10.773 -1.506 265 HD3 ARG 53 2HD ARG 53 -6.860 9.427 -0.546 266 HE ARG 53 HE ARG 53 -6.300 11.781 0.885 267 HH11 ARG 53 1HH1 ARG 53 -9.221 10.035 -0.094 268 HH12 ARG 53 2HH1 ARG 53 -10.139 10.639 1.253 269 HH21 ARG 53 1HH2 ARG 53 -7.544 12.515 2.600 270 HH22 ARG 53 2HH2 ARG 53 -9.200 12.018 2.756 271 H ASP 54 H ASP 54 -4.455 11.620 -5.267 272 HA ASP 54 HA ASP 54 -2.979 14.099 -4.869 273 HB2 ASP 54 1HB ASP 54 -3.481 13.256 -7.098 274 HB3 ASP 54 2HB ASP 54 -5.207 13.226 -6.747 275 HA PRO 55 HA PRO 55 -6.134 15.507 -2.045 276 HB2 PRO 55 1HB PRO 55 -5.244 18.011 -1.407 277 HB3 PRO 55 2HB PRO 55 -4.373 16.520 -0.935 278 HG2 PRO 55 1HG PRO 55 -3.834 18.309 -3.328 279 HG3 PRO 55 2HG PRO 55 -2.660 17.695 -2.122 280 HD2 PRO 55 1HD PRO 55 -3.049 16.470 -4.535 281 HD3 PRO 55 2HD PRO 55 -2.693 15.534 -3.050 282 H LEU 56 H LEU 56 -5.822 16.987 -5.189 283 HA LEU 56 HA LEU 56 -8.119 18.823 -4.783 284 HB2 LEU 56 1HB LEU 56 -6.175 18.248 -7.045 285 HB3 LEU 56 2HB LEU 56 -7.702 19.048 -7.353 286 HG LEU 56 HG LEU 56 -7.141 20.865 -5.796 287 HD11 LEU 56 1HD1 LEU 56 -5.618 19.816 -4.211 288 HD12 LEU 56 2HD1 LEU 56 -4.449 19.458 -5.509 289 HD13 LEU 56 3HD1 LEU 56 -4.773 21.136 -5.019 290 HD21 LEU 56 3HD2 LEU 56 -5.430 21.917 -7.227 291 HD22 LEU 56 1HD2 LEU 56 -5.008 20.330 -7.911 292 HD23 LEU 56 2HD2 LEU 56 -6.615 21.034 -8.204 293 H THR 57 H THR 57 -7.313 15.820 -6.533 294 HA THR 57 HA THR 57 -10.146 15.555 -7.456 295 HB THR 57 HB THR 57 -9.256 14.029 -9.126 296 HG1 THR 57 1HG THR 57 -6.709 14.654 -8.038 297 HG21 THR 57 3HG2 THR 57 -7.942 15.559 -10.470 298 HG22 THR 57 1HG2 THR 57 -9.232 16.457 -9.650 299 HG23 THR 57 2HG2 THR 57 -7.559 16.561 -9.057 300 H LYS 58 H LYS 58 -8.065 14.238 -5.140 301 HA LYS 58 HA LYS 58 -8.155 12.584 -3.657 302 HB2 LYS 58 1HB LYS 58 -11.077 12.478 -4.472 303 HB3 LYS 58 2HB LYS 58 -10.395 11.426 -3.252 304 HG2 LYS 58 1HG LYS 58 -11.470 13.331 -2.237 305 HG3 LYS 58 2HG LYS 58 -9.752 13.286 -1.846 306 HD2 LYS 58 1HD LYS 58 -9.287 15.136 -3.332 307 HD3 LYS 58 2HD LYS 58 -10.932 15.074 -4.015 308 HE2 LYS 58 1HE LYS 58 -11.876 15.720 -1.840 309 HE3 LYS 58 2HE LYS 58 -10.270 15.683 -1.100 310 HZ1 LYS 58 3HZ LYS 58 -10.950 17.941 -1.722 311 HZ2 LYS 58 1HZ LYS 58 -9.600 17.495 -2.533 312 HZ3 LYS 58 2HZ LYS 58 -11.050 17.517 -3.301 313 H ARG 59 H ARG 59 -8.017 11.999 -6.815 314 HA ARG 59 HA ARG 59 -8.165 9.183 -7.206 315 HB2 ARG 59 1HB ARG 59 -6.328 11.327 -8.356 316 HB3 ARG 59 2HB ARG 59 -6.343 9.653 -8.918 317 HG2 ARG 59 1HG ARG 59 -8.668 9.813 -9.607 318 HG3 ARG 59 2HG ARG 59 -8.808 11.454 -8.947 319 HD2 ARG 59 1HD ARG 59 -7.178 12.309 -10.536 320 HD3 ARG 59 2HD ARG 59 -6.832 10.690 -11.142 321 HE ARG 59 HE ARG 59 -9.179 12.373 -11.726 322 HH11 ARG 59 1HH1 ARG 59 -7.835 9.117 -12.019 323 HH12 ARG 59 2HH1 ARG 59 -8.954 8.661 -13.266 324 HH21 ARG 59 1HH2 ARG 59 -10.586 11.731 -13.356 325 HH22 ARG 59 2HH2 ARG 59 -10.473 10.132 -14.027 326 H SER 60 H SER 60 -7.138 7.605 -6.206 327 HA SER 60 HA SER 60 -5.059 7.864 -4.306 328 HB2 SER 60 1HB SER 60 -5.110 5.472 -4.234 329 HB3 SER 60 2HB SER 60 -6.767 6.021 -4.566 330 HG SER 60 HG SER 60 -6.368 4.430 -6.024 331 H ARG 61 H ARG 61 -4.633 8.093 -7.638 332 HA ARG 61 HA ARG 61 -2.949 7.916 -9.127 333 HB2 ARG 61 1HB ARG 61 -1.052 7.684 -6.750 334 HB3 ARG 61 2HB ARG 61 -0.579 7.857 -8.431 335 HG2 ARG 61 1HG ARG 61 -1.691 10.057 -8.568 336 HG3 ARG 61 2HG ARG 61 -2.216 9.906 -6.888 337 HD2 ARG 61 1HD ARG 61 -0.230 11.307 -6.977 338 HD3 ARG 61 2HD ARG 61 0.133 9.792 -6.142 339 HE ARG 61 HE ARG 61 0.771 9.941 -9.031 340 HH11 ARG 61 1HH1 ARG 61 2.148 10.158 -5.744 341 HH12 ARG 61 2HH1 ARG 61 3.717 9.619 -6.343 342 HH21 ARG 61 1HH2 ARG 61 2.907 9.302 -9.604 343 HH22 ARG 61 2HH2 ARG 61 4.105 9.198 -8.319 344 H GLY 62 H GLY 62 -4.131 5.421 -7.466 345 HA2 GLY 62 1HA GLY 62 -4.306 3.204 -8.038 346 HA3 GLY 62 2HA GLY 62 -3.034 3.408 -9.264 347 H PHE 63 H PHE 63 -2.160 4.428 -6.008 348 HA PHE 63 HA PHE 63 -1.212 1.806 -5.249 349 HB2 PHE 63 1HB PHE 63 1.090 2.029 -5.496 350 HB3 PHE 63 2HB PHE 63 0.471 2.628 -7.012 351 HD1 PHE 63 1HD PHE 63 0.356 5.191 -7.357 352 HD2 PHE 63 2HD PHE 63 2.356 3.370 -4.000 353 HE1 PHE 63 1HE PHE 63 1.518 7.326 -6.883 354 HE2 PHE 63 2HE PHE 63 3.560 5.487 -3.575 355 HZ PHE 63 HZ PHE 63 3.122 7.477 -4.959 356 H GLY 64 H GLY 64 0.043 1.704 -3.329 357 HA2 GLY 64 1HA GLY 64 0.355 4.043 -1.585 358 HA3 GLY 64 2HA GLY 64 -0.830 2.883 -1.020 359 H PHE 65 H PHE 65 0.480 2.519 0.819 360 HA PHE 65 HA PHE 65 2.638 0.518 0.473 361 HB2 PHE 65 1HB PHE 65 2.949 3.187 1.894 362 HB3 PHE 65 2HB PHE 65 3.948 1.808 2.263 363 HD1 PHE 65 1HD PHE 65 3.199 4.394 -0.301 364 HD2 PHE 65 2HD PHE 65 5.689 1.033 0.798 365 HE1 PHE 65 1HE PHE 65 4.906 5.102 -1.937 366 HE2 PHE 65 2HE PHE 65 7.384 1.758 -0.845 367 HZ PHE 65 HZ PHE 65 6.999 3.819 -2.210 368 H VAL 66 H VAL 66 2.903 -0.842 2.232 369 HA VAL 66 HA VAL 66 1.350 -0.336 4.725 370 HB VAL 66 HB VAL 66 1.149 -2.922 3.127 371 HG11 VAL 66 1HG1 VAL 66 1.290 -3.509 5.497 372 HG12 VAL 66 2HG1 VAL 66 0.115 -2.250 5.915 373 HG13 VAL 66 3HG1 VAL 66 -0.386 -3.668 4.969 374 HG21 VAL 66 3HG2 VAL 66 -1.291 -2.434 3.154 375 HG22 VAL 66 1HG2 VAL 66 -0.962 -0.870 3.924 376 HG23 VAL 66 2HG2 VAL 66 -0.377 -1.191 2.301 377 H THR 67 H THR 67 2.475 -0.752 6.463 378 HA THR 67 HA THR 67 4.976 -2.413 6.377 379 HB THR 67 HB THR 67 4.229 -0.359 8.469 380 HG1 THR 67 1HG THR 67 5.292 1.149 7.243 381 HG21 THR 67 3HG2 THR 67 6.622 -0.366 8.966 382 HG22 THR 67 1HG2 THR 67 6.009 -2.029 9.059 383 HG23 THR 67 2HG2 THR 67 6.928 -1.507 7.642 384 H PHE 68 H PHE 68 5.079 -4.117 7.795 385 HA PHE 68 HA PHE 68 2.552 -4.799 9.235 386 HB2 PHE 68 1HB PHE 68 4.742 -6.516 8.057 387 HB3 PHE 68 2HB PHE 68 3.433 -7.129 9.058 388 HD1 PHE 68 2HD PHE 68 4.174 -5.454 5.797 389 HD2 PHE 68 1HD PHE 68 1.237 -7.511 8.195 390 HE1 PHE 68 2HE PHE 68 2.711 -5.690 3.807 391 HE2 PHE 68 1HE PHE 68 -0.227 -7.734 6.205 392 HZ PHE 68 HZ PHE 68 0.515 -6.829 4.006 393 H MET 69 H MET 69 2.596 -5.760 11.274 394 HA MET 69 HA MET 69 4.669 -4.929 13.147 395 HB2 MET 69 1HB MET 69 2.282 -6.805 13.395 396 HB3 MET 69 2HB MET 69 3.313 -6.327 14.742 397 HG2 MET 69 1HG MET 69 1.660 -4.409 13.053 398 HG3 MET 69 2HG MET 69 1.231 -5.032 14.642 399 HE1 MET 69 3HE MET 69 1.842 -1.422 15.688 400 HE2 MET 69 1HE MET 69 0.900 -2.156 14.371 401 HE3 MET 69 2HE MET 69 0.900 -2.898 15.983 402 H ASP 70 H ASP 70 4.604 -7.468 10.954 403 HA ASP 70 HA ASP 70 6.874 -8.878 12.106 404 HB2 ASP 70 1HB ASP 70 5.737 -11.069 12.175 405 HB3 ASP 70 2HB ASP 70 5.095 -9.949 13.363 406 H GLN 71 H GLN 71 7.769 -10.484 10.646 407 HA GLN 71 HA GLN 71 7.475 -9.714 7.848 408 HB2 GLN 71 1HB GLN 71 9.633 -10.278 9.050 409 HB3 GLN 71 2HB GLN 71 9.121 -11.953 9.098 410 HG2 GLN 71 1HG GLN 71 10.702 -11.592 7.275 411 HG3 GLN 71 2HG GLN 71 9.143 -12.088 6.646 412 HE21 GLN 71 2HE2 GLN 71 10.164 -11.187 4.585 413 HE22 GLN 71 1HE2 GLN 71 9.981 -9.462 4.308 414 H ALA 72 H ALA 72 6.142 -12.237 9.838 415 HA ALA 72 HA ALA 72 5.639 -14.213 7.856 416 HB1 ALA 72 1HB ALA 72 5.495 -14.619 10.289 417 HB2 ALA 72 2HB ALA 72 4.051 -13.581 10.383 418 HB3 ALA 72 3HB ALA 72 4.000 -15.096 9.462 419 H GLY 73 H GLY 73 3.698 -11.294 8.655 420 HA2 GLY 73 1HA GLY 73 1.584 -11.911 6.775 421 HA3 GLY 73 2HA GLY 73 1.974 -10.303 7.424 422 H VAL 74 H VAL 74 4.656 -10.164 6.435 423 HA VAL 74 HA VAL 74 4.243 -9.231 3.739 424 HB VAL 74 HB VAL 74 6.826 -9.821 5.239 425 HG11 VAL 74 1HG1 VAL 74 7.369 -9.969 2.874 426 HG12 VAL 74 2HG1 VAL 74 6.476 -8.473 2.532 427 HG13 VAL 74 3HG1 VAL 74 7.960 -8.430 3.504 428 HG21 VAL 74 3HG2 VAL 74 6.993 -7.382 5.445 429 HG22 VAL 74 1HG2 VAL 74 5.457 -7.190 4.576 430 HG23 VAL 74 2HG2 VAL 74 5.498 -7.962 6.180 431 H ASP 75 H ASP 75 5.831 -12.189 5.053 432 HA ASP 75 HA ASP 75 6.580 -13.443 2.674 433 HB2 ASP 75 1HB ASP 75 7.108 -14.153 5.025 434 HB3 ASP 75 2HB ASP 75 5.470 -14.760 5.187 435 H LYS 76 H LYS 76 3.383 -13.673 4.316 436 HA LYS 76 HA LYS 76 2.255 -15.536 2.453 437 HB2 LYS 76 1HB LYS 76 0.960 -13.513 4.320 438 HB3 LYS 76 2HB LYS 76 0.093 -14.788 3.434 439 HG2 LYS 76 1HG LYS 76 1.166 -16.545 4.611 440 HG3 LYS 76 2HG LYS 76 2.347 -15.456 5.350 441 HD2 LYS 76 1HD LYS 76 0.428 -14.230 6.463 442 HD3 LYS 76 2HD LYS 76 -0.679 -15.463 5.848 443 HE2 LYS 76 1HE LYS 76 1.711 -15.941 7.682 444 HE3 LYS 76 2HE LYS 76 0.035 -15.768 8.222 445 HZ1 LYS 76 3HZ LYS 76 0.634 -18.099 8.033 446 HZ2 LYS 76 1HZ LYS 76 -0.522 -17.758 6.933 447 HZ3 LYS 76 2HZ LYS 76 1.035 -17.938 6.460 448 H VAL 77 H VAL 77 2.337 -11.981 2.412 449 HA VAL 77 HA VAL 77 0.425 -11.734 0.259 450 HB VAL 77 HB VAL 77 2.506 -9.773 1.269 451 HG11 VAL 77 1HG1 VAL 77 1.907 -9.087 -1.025 452 HG12 VAL 77 2HG1 VAL 77 0.180 -9.233 -0.635 453 HG13 VAL 77 3HG1 VAL 77 1.181 -7.990 0.145 454 HG21 VAL 77 3HG2 VAL 77 0.600 -8.697 2.402 455 HG22 VAL 77 1HG2 VAL 77 -0.540 -9.835 1.649 456 HG23 VAL 77 2HG2 VAL 77 0.606 -10.403 2.861 457 H LEU 78 H LEU 78 3.956 -12.216 0.352 458 HA LEU 78 HA LEU 78 4.324 -11.873 -2.535 459 HB2 LEU 78 1HB LEU 78 6.012 -13.284 -0.436 460 HB3 LEU 78 2HB LEU 78 6.555 -12.806 -2.039 461 HG LEU 78 HG LEU 78 5.609 -10.797 0.063 462 HD11 LEU 78 1HD1 LEU 78 7.453 -12.118 0.903 463 HD12 LEU 78 2HD1 LEU 78 8.394 -11.829 -0.577 464 HD13 LEU 78 3HD1 LEU 78 8.017 -10.472 0.522 465 HD21 LEU 78 3HD2 LEU 78 6.879 -9.189 -1.315 466 HD22 LEU 78 1HD2 LEU 78 7.167 -10.456 -2.528 467 HD23 LEU 78 2HD2 LEU 78 5.508 -9.894 -2.178 468 H ALA 79 H ALA 79 3.899 -14.613 -0.306 469 HA ALA 79 HA ALA 79 4.352 -16.639 -2.215 470 HB1 ALA 79 1HB ALA 79 4.576 -16.920 0.223 471 HB2 ALA 79 2HB ALA 79 2.816 -16.732 0.420 472 HB3 ALA 79 3HB ALA 79 3.473 -18.136 -0.446 473 H GLN 80 H GLN 80 1.362 -14.887 -1.553 474 HA GLN 80 HA GLN 80 -0.356 -16.881 -2.846 475 HB2 GLN 80 1HB GLN 80 -1.075 -15.616 -0.867 476 HB3 GLN 80 2HB GLN 80 -0.946 -14.100 -1.762 477 HG2 GLN 80 1HG GLN 80 -2.730 -14.804 -3.292 478 HG3 GLN 80 2HG GLN 80 -2.785 -16.405 -2.555 479 HE21 GLN 80 2HE2 GLN 80 -4.360 -13.435 -2.582 480 HE22 GLN 80 1HE2 GLN 80 -5.154 -13.594 -1.014 481 H SER 81 H SER 81 -1.200 -16.825 -4.896 482 HA SER 81 HA SER 81 0.309 -15.351 -6.841 483 HB2 SER 81 1HB SER 81 -2.078 -17.170 -7.285 484 HB3 SER 81 2HB SER 81 -0.798 -16.785 -8.441 485 HG SER 81 HG SER 81 0.677 -17.939 -7.133 486 H ARG 82 H ARG 82 -2.469 -14.269 -5.299 487 HA ARG 82 HA ARG 82 -3.021 -12.197 -7.263 488 HB2 ARG 82 1HB ARG 82 -4.292 -14.011 -8.304 489 HB3 ARG 82 2HB ARG 82 -5.099 -14.380 -6.773 490 HG2 ARG 82 1HG ARG 82 -6.263 -12.235 -6.807 491 HG3 ARG 82 2HG ARG 82 -5.346 -11.711 -8.231 492 HD2 ARG 82 1HD ARG 82 -6.441 -13.415 -9.597 493 HD3 ARG 82 2HD ARG 82 -7.253 -14.086 -8.172 494 HE ARG 82 HE ARG 82 -8.735 -12.267 -8.109 495 HH11 ARG 82 1HH1 ARG 82 -6.427 -11.733 -10.754 496 HH12 ARG 82 2HH1 ARG 82 -7.158 -10.192 -11.143 497 HH21 ARG 82 1HH2 ARG 82 -9.655 -10.331 -8.783 498 HH22 ARG 82 2HH2 ARG 82 -8.877 -9.436 -10.081 499 H HIS 83 H HIS 83 -4.106 -10.469 -6.399 500 HA HIS 83 HA HIS 83 -5.417 -10.672 -3.754 501 HB2 HIS 83 1HB HIS 83 -3.180 -8.741 -4.483 502 HB3 HIS 83 2HB HIS 83 -4.240 -8.539 -3.082 503 HD1 HIS 83 1HD HIS 83 -4.003 -10.525 -1.157 504 HD2 HIS 83 2HD HIS 83 -1.133 -10.388 -4.225 505 HE1 HIS 83 1HE HIS 83 -2.030 -11.950 -0.366 506 H GLU 84 H GLU 84 -7.001 -9.013 -3.392 507 HA GLU 84 HA GLU 84 -7.763 -7.287 -5.656 508 HB2 GLU 84 1HB GLU 84 -8.575 -9.623 -6.162 509 HB3 GLU 84 2HB GLU 84 -9.570 -9.537 -4.705 510 HG2 GLU 84 1HG GLU 84 -10.692 -7.487 -5.690 511 HG3 GLU 84 2HG GLU 84 -9.755 -7.747 -7.167 512 H LEU 85 H LEU 85 -8.706 -5.500 -4.983 513 HA LEU 85 HA LEU 85 -10.243 -5.318 -2.475 514 HB2 LEU 85 1HB LEU 85 -7.937 -5.044 -1.714 515 HB3 LEU 85 2HB LEU 85 -7.615 -3.868 -2.992 516 HG LEU 85 HG LEU 85 -9.152 -2.255 -1.930 517 HD11 LEU 85 1HD1 LEU 85 -10.773 -3.693 -0.806 518 HD12 LEU 85 2HD1 LEU 85 -9.502 -4.421 0.190 519 HD13 LEU 85 3HD1 LEU 85 -9.950 -2.720 0.421 520 HD21 LEU 85 3HD2 LEU 85 -7.750 -1.776 0.032 521 HD22 LEU 85 1HD2 LEU 85 -7.078 -3.419 -0.020 522 HD23 LEU 85 2HD2 LEU 85 -6.756 -2.280 -1.346 523 H ASP 86 H ASP 86 -11.828 -3.808 -2.657 524 HA ASP 86 HA ASP 86 -13.406 -2.603 -3.714 525 HB2 ASP 86 1HB ASP 86 -11.668 -0.818 -3.370 526 HB3 ASP 86 2HB ASP 86 -11.153 -1.056 -5.038 527 H SER 87 H SER 87 -12.637 -5.053 -4.902 528 HA SER 87 HA SER 87 -12.969 -6.401 -6.690 529 HB2 SER 87 1HB SER 87 -14.547 -4.119 -7.916 530 HB3 SER 87 2HB SER 87 -14.581 -5.820 -8.386 531 HG SER 87 HG SER 87 -16.332 -5.257 -6.983 532 H LYS 88 H LYS 88 -10.642 -4.353 -6.709 533 HA LYS 88 HA LYS 88 -9.906 -4.522 -9.609 534 HB2 LYS 88 1HB LYS 88 -9.096 -2.608 -7.381 535 HB3 LYS 88 2HB LYS 88 -8.245 -2.694 -8.913 536 HG2 LYS 88 1HG LYS 88 -11.233 -2.331 -8.980 537 HG3 LYS 88 2HG LYS 88 -10.226 -0.968 -8.473 538 HD2 LYS 88 1HD LYS 88 -8.973 -1.071 -10.597 539 HD3 LYS 88 2HD LYS 88 -9.941 -2.465 -11.100 540 HE2 LYS 88 1HE LYS 88 -10.844 -0.462 -12.147 541 HE3 LYS 88 2HE LYS 88 -12.008 -1.083 -10.974 542 HZ1 LYS 88 3HZ LYS 88 -11.738 1.337 -10.833 543 HZ2 LYS 88 1HZ LYS 88 -11.266 0.656 -9.415 544 HZ3 LYS 88 2HZ LYS 88 -10.158 1.197 -10.494 545 H THR 89 H THR 89 -8.056 -5.499 -10.148 546 HA THR 89 HA THR 89 -6.855 -7.408 -8.259 547 HB THR 89 HB THR 89 -5.895 -6.766 -11.077 548 HG1 THR 89 1HG THR 89 -7.856 -7.494 -11.485 549 HG21 THR 89 3HG2 THR 89 -5.054 -9.107 -10.942 550 HG22 THR 89 1HG2 THR 89 -4.308 -8.079 -9.715 551 HG23 THR 89 2HG2 THR 89 -5.601 -9.205 -9.251 552 H ILE 90 H ILE 90 -5.267 -6.891 -6.860 553 HA ILE 90 HA ILE 90 -3.568 -4.496 -7.464 554 HB ILE 90 HB ILE 90 -3.176 -4.219 -5.121 555 HG12 ILE 90 1HG1 ILE 90 -5.065 -6.516 -4.550 556 HG13 ILE 90 2HG1 ILE 90 -3.305 -6.519 -4.340 557 HG21 ILE 90 1HG2 ILE 90 -5.172 -3.168 -6.250 558 HG22 ILE 90 2HG2 ILE 90 -6.178 -4.514 -5.683 559 HG23 ILE 90 3HG2 ILE 90 -5.449 -3.415 -4.524 560 HD11 ILE 90 3HD1 ILE 90 -4.208 -6.096 -2.190 561 HD12 ILE 90 1HD1 ILE 90 -3.575 -4.534 -2.773 562 HD13 ILE 90 2HD1 ILE 90 -5.322 -4.867 -2.805 563 H ASP 91 H ASP 91 -1.387 -4.504 -6.998 564 HA ASP 91 HA ASP 91 -0.056 -7.178 -7.229 565 HB2 ASP 91 1HB ASP 91 -0.394 -6.123 -9.414 566 HB3 ASP 91 2HB ASP 91 0.408 -4.661 -8.844 567 HA PRO 92 HA PRO 92 1.988 -4.669 -3.926 568 HB2 PRO 92 1HB PRO 92 1.680 -6.380 -1.798 569 HB3 PRO 92 2HB PRO 92 0.463 -5.180 -2.309 570 HG2 PRO 92 1HG PRO 92 0.492 -8.139 -2.875 571 HG3 PRO 92 2HG PRO 92 -0.905 -7.060 -2.482 572 HD2 PRO 92 1HD PRO 92 -0.251 -7.864 -5.032 573 HD3 PRO 92 2HD PRO 92 -1.118 -6.358 -4.605 574 H LYS 93 H LYS 93 4.021 -4.886 -3.073 575 HA LYS 93 HA LYS 93 5.687 -7.267 -3.491 576 HB2 LYS 93 1HB LYS 93 7.123 -6.130 -5.180 577 HB3 LYS 93 2HB LYS 93 5.491 -6.439 -5.765 578 HG2 LYS 93 1HG LYS 93 4.867 -4.082 -5.348 579 HG3 LYS 93 2HG LYS 93 6.468 -3.754 -4.679 580 HD2 LYS 93 1HD LYS 93 6.380 -2.903 -6.938 581 HD3 LYS 93 2HD LYS 93 7.495 -4.265 -6.869 582 HE2 LYS 93 1HE LYS 93 6.217 -4.470 -8.891 583 HE3 LYS 93 2HE LYS 93 5.705 -5.755 -7.799 584 HZ1 LYS 93 3HZ LYS 93 3.803 -4.727 -8.815 585 HZ2 LYS 93 1HZ LYS 93 3.749 -4.361 -7.236 586 HZ3 LYS 93 2HZ LYS 93 4.223 -3.228 -8.338 587 H VAL 94 H VAL 94 8.044 -6.745 -2.979 588 HA VAL 94 HA VAL 94 8.148 -5.593 -0.360 589 HB VAL 94 HB VAL 94 10.467 -6.310 -2.200 590 HG11 VAL 94 1HG1 VAL 94 11.285 -4.850 -0.406 591 HG12 VAL 94 2HG1 VAL 94 10.410 -5.805 0.815 592 HG13 VAL 94 3HG1 VAL 94 11.780 -6.508 -0.073 593 HG21 VAL 94 3HG2 VAL 94 10.551 -8.400 -0.824 594 HG22 VAL 94 1HG2 VAL 94 9.050 -7.904 -0.013 595 HG23 VAL 94 2HG2 VAL 94 9.060 -8.267 -1.754 596 H ALA 95 H ALA 95 8.760 -3.639 0.424 597 HA ALA 95 HA ALA 95 8.772 -1.383 -1.450 598 HB1 ALA 95 1HB ALA 95 7.399 -1.339 0.598 599 HB2 ALA 95 2HB ALA 95 8.862 -1.510 1.591 600 HB3 ALA 95 3HB ALA 95 8.607 -0.045 0.624 601 H PHE 96 H PHE 96 10.391 0.007 -1.890 602 HA PHE 96 HA PHE 96 13.145 -0.492 -1.270 603 HB2 PHE 96 1HB PHE 96 11.818 2.110 -2.118 604 HB3 PHE 96 2HB PHE 96 13.521 1.733 -2.267 605 HD1 PHE 96 1HD PHE 96 12.886 -1.258 -3.374 606 HD2 PHE 96 2HD PHE 96 11.700 2.753 -4.448 607 HE1 PHE 96 1HE PHE 96 12.488 -1.992 -5.698 608 HE2 PHE 96 2HE PHE 96 11.308 2.007 -6.778 609 HZ PHE 96 HZ PHE 96 11.691 -0.370 -7.408 610 HA PRO 97 HA PRO 97 13.876 1.074 2.748 611 HB2 PRO 97 1HB PRO 97 15.867 3.019 1.553 612 HB3 PRO 97 2HB PRO 97 16.048 1.969 2.997 613 HG2 PRO 97 1HG PRO 97 17.118 1.186 0.651 614 HG3 PRO 97 2HG PRO 97 16.193 -0.001 1.632 615 HD2 PRO 97 1HD PRO 97 15.272 1.580 -0.777 616 HD3 PRO 97 2HD PRO 97 15.027 -0.151 -0.395 617 H ARG 98 H ARG 98 13.754 2.833 4.284 618 HA ARG 98 HA ARG 98 12.278 5.216 3.365 619 HB2 ARG 98 1HB ARG 98 10.451 4.754 4.835 620 HB3 ARG 98 2HB ARG 98 10.709 3.429 3.730 621 HG2 ARG 98 1HG ARG 98 10.200 2.300 5.632 622 HG3 ARG 98 2HG ARG 98 11.952 2.253 5.681 623 HD2 ARG 98 1HD ARG 98 10.937 2.683 7.902 624 HD3 ARG 98 2HD ARG 98 11.985 3.994 7.411 625 HE ARG 98 HE ARG 98 10.212 5.446 7.399 626 HH11 ARG 98 1HH1 ARG 98 8.797 2.191 7.704 627 HH12 ARG 98 2HH1 ARG 98 7.167 2.853 7.710 628 HH21 ARG 98 1HH2 ARG 98 8.086 6.130 7.323 629 HH22 ARG 98 2HH2 ARG 98 6.782 4.997 7.645 630 H ARG 99 H ARG 99 12.259 6.979 4.635 631 HA ARG 99 HA ARG 99 14.374 7.577 6.409 632 HB2 ARG 99 1HB ARG 99 13.029 9.145 5.038 633 HB3 ARG 99 2HB ARG 99 11.730 9.008 6.240 634 HG2 ARG 99 1HG ARG 99 13.270 9.838 7.998 635 HG3 ARG 99 2HG ARG 99 14.609 9.899 6.822 636 HD2 ARG 99 1HD ARG 99 13.422 11.557 5.488 637 HD3 ARG 99 2HD ARG 99 11.986 11.347 6.509 638 HE ARG 99 HE ARG 99 14.209 12.133 8.131 639 HH11 ARG 99 1HH1 ARG 99 12.029 13.588 5.753 640 HH12 ARG 99 2HH1 ARG 99 12.227 15.184 6.413 641 HH21 ARG 99 1HH2 ARG 99 14.417 14.218 8.934 642 HH22 ARG 99 2HH2 ARG 99 13.561 15.532 8.187 643 H ALA 100 H ALA 100 14.698 7.237 8.495 644 HA ALA 100 HA ALA 100 12.721 7.173 10.587 645 HB1 ALA 100 1HB ALA 100 12.306 4.896 9.732 646 HB2 ALA 100 2HB ALA 100 14.047 4.535 9.776 647 HB3 ALA 100 3HB ALA 100 13.145 4.800 11.283 648 H GLN 101 H GLN 101 13.759 6.931 12.722 649 HA GLN 101 HA GLN 101 16.704 7.104 12.839 650 HB2 GLN 101 1HB GLN 101 14.769 9.252 13.823 651 HB3 GLN 101 2HB GLN 101 16.439 9.114 14.362 652 HG2 GLN 101 1HG GLN 101 17.204 9.370 11.986 653 HG3 GLN 101 2HG GLN 101 15.531 9.678 11.508 654 HE21 GLN 101 2HE2 GLN 101 18.174 11.410 11.694 655 HE22 GLN 101 1HE2 GLN 101 17.570 12.867 12.470 656 HA PRO 102 HA PRO 102 15.784 4.792 16.564 657 HB2 PRO 102 1HB PRO 102 18.150 4.915 17.908 658 HB3 PRO 102 2HB PRO 102 17.961 4.007 16.376 659 HG2 PRO 102 1HG PRO 102 19.055 6.815 16.751 660 HG3 PRO 102 2HG PRO 102 19.769 5.465 15.811 661 HD2 PRO 102 1HD PRO 102 18.255 7.421 14.646 662 HD3 PRO 102 2HD PRO 102 18.210 5.727 14.071 663 H LYS 103 H LYS 103 15.066 5.130 18.630 664 HA LYS 103 HA LYS 103 15.626 7.419 20.281 665 HB2 LYS 103 1HB LYS 103 13.429 8.463 20.233 666 HB3 LYS 103 2HB LYS 103 14.220 8.591 18.668 667 HG2 LYS 103 1HG LYS 103 12.840 6.652 17.843 668 HG3 LYS 103 2HG LYS 103 11.988 6.633 19.393 669 HD2 LYS 103 1HD LYS 103 12.069 8.972 17.433 670 HD3 LYS 103 2HD LYS 103 10.745 7.808 17.596 671 HE2 LYS 103 1HE LYS 103 10.425 8.508 19.969 672 HE3 LYS 103 2HE LYS 103 11.712 9.706 19.782 673 HZ1 LYS 103 3HZ LYS 103 9.529 10.706 19.457 674 HZ2 LYS 103 1HZ LYS 103 10.369 10.790 18.061 675 HZ3 LYS 103 2HZ LYS 103 9.176 9.685 18.236 676 H5' G 104 H5' G 104 -4.068 -0.697 -14.286 677 H5'' G 104 H5" G 104 -2.464 -0.293 -13.662 678 H4' G 104 H4' G 104 -3.485 1.688 -14.568 679 H3' G 104 H3' G 104 -2.680 1.587 -11.794 680 H2' G 104 H2' G 104 -4.757 2.120 -10.957 681 HO2' G 104 HO2 G 104 -3.499 4.437 -11.829 682 H1' G 104 H1' G 104 -5.443 3.570 -13.533 683 H8 G 104 8H G 104 -6.800 2.573 -10.229 684 H1 G 104 1H G 104 -11.373 3.122 -14.732 685 H21 G 104 1H2 G 104 -10.380 3.279 -16.754 686 H22 G 104 2H2 G 104 -8.630 3.206 -16.868 687 HO5' G 104 H5T G 104 -3.864 -1.675 -12.274 688 H5' U 105 H5' U 105 -1.214 2.946 -10.443 689 H5'' U 105 H5" U 105 -0.121 4.177 -11.078 690 H4' U 105 H4' U 105 0.811 3.299 -9.073 691 H3' U 105 H3' U 105 2.264 3.418 -11.398 692 H2' U 105 H2' U 105 2.002 1.169 -11.993 693 HO2' U 105 HO2 U 105 4.417 1.658 -10.973 694 H1' U 105 H1' U 105 2.390 0.297 -9.135 695 H3 U 105 3H U 105 1.974 -4.014 -10.562 696 H5 U 105 5H U 105 -1.102 -2.054 -12.610 697 H6 U 105 6H U 105 -0.384 0.053 -11.610 698 H5' A 106 H5' A 106 3.878 4.587 -7.065 699 H5'' A 106 H5" A 106 4.170 6.001 -8.072 700 H4' A 106 H4' A 106 5.134 6.422 -5.947 701 H3' A 106 H3' A 106 6.624 6.708 -8.235 702 H2' A 106 H2' A 106 7.668 4.604 -8.175 703 HO2' A 106 HO2 A 106 9.263 6.502 -6.866 704 H1' A 106 H1' A 106 8.124 4.782 -5.200 705 H8 A 106 8H A 106 7.091 2.412 -8.125 706 H61 A 106 1H6 A 106 9.040 -1.976 -4.063 707 H62 A 106 2H6 A 106 8.494 -1.760 -5.727 708 H2 A 106 2H A 106 9.290 1.841 -2.102 709 H5' G 107 H5' G 107 7.898 8.965 -3.700 710 H5'' G 107 H5" G 107 7.420 7.268 -3.569 711 H4' G 107 H4' G 107 5.673 9.345 -2.253 712 H3' G 107 H3' G 107 8.385 8.452 -1.223 713 H2' G 107 H2' G 107 7.438 8.701 0.960 714 HO2' G 107 HO2 G 107 6.324 10.787 0.215 715 H1' G 107 H1' G 107 4.861 7.866 0.192 716 H8 G 107 8H G 107 4.616 6.125 1.939 717 H1 G 107 1H G 107 10.461 3.609 0.960 718 H21 G 107 1H2 G 107 11.590 4.921 -0.425 719 H22 G 107 2H2 G 107 10.790 6.254 -1.248 720 H5' U 108 H5' U 108 10.562 11.834 1.744 721 H5'' U 108 H5" U 108 11.562 10.849 0.678 722 H4' U 108 H4' U 108 12.062 10.170 2.870 723 H3' U 108 H3' U 108 11.092 8.268 1.059 724 HO3' U 108 H3T U 108 12.978 7.909 2.231 725 H2' U 108 H2' U 108 8.966 8.099 2.014 726 HO2' U 108 HO2 U 108 10.709 6.259 2.919 727 H1' U 108 H1' U 108 10.150 8.376 4.772 728 H3 U 108 3H U 108 6.012 7.880 6.583 729 H5 U 108 5H U 108 5.284 10.340 3.278 730 H6 U 108 6H U 108 7.657 10.217 2.704 Start of MODEL 16 1 H CYS 20 1H CYS 20 11.213 -5.539 6.286 2 HA CYS 20 HA CYS 20 9.005 -6.457 6.023 3 HB2 CYS 20 1HB CYS 20 7.146 -5.616 7.420 4 HB3 CYS 20 2HB CYS 20 8.359 -6.375 8.433 5 HG CYS 20 HG CYS 20 7.355 -4.283 9.644 6 H LYS 21 H LYS 21 6.999 -4.906 5.492 7 HA LYS 21 HA LYS 21 6.044 -3.061 4.707 8 HB2 LYS 21 1HB LYS 21 7.884 -1.613 5.650 9 HB3 LYS 21 2HB LYS 21 8.654 -1.668 4.057 10 HG2 LYS 21 1HG LYS 21 6.663 -0.650 3.019 11 HG3 LYS 21 2HG LYS 21 5.774 -0.784 4.535 12 HD2 LYS 21 1HD LYS 21 7.431 0.784 5.580 13 HD3 LYS 21 2HD LYS 21 8.158 1.005 3.973 14 HE2 LYS 21 1HE LYS 21 6.057 1.848 3.074 15 HE3 LYS 21 2HE LYS 21 5.180 1.401 4.555 16 HZ1 LYS 21 3HZ LYS 21 5.780 3.801 4.341 17 HZ2 LYS 21 1HZ LYS 21 6.278 3.102 5.748 18 HZ3 LYS 21 2HZ LYS 21 7.345 3.396 4.494 19 H MET 22 H MET 22 5.102 -2.624 2.879 20 HA MET 22 HA MET 22 6.229 -3.624 0.316 21 HB2 MET 22 1HB MET 22 3.500 -4.301 1.499 22 HB3 MET 22 2HB MET 22 4.056 -4.719 -0.127 23 HG2 MET 22 1HG MET 22 6.006 -5.953 0.968 24 HG3 MET 22 2HG MET 22 5.227 -5.654 2.515 25 HE1 MET 22 3HE MET 22 4.089 -8.622 -0.758 26 HE2 MET 22 1HE MET 22 3.959 -6.886 -1.115 27 HE3 MET 22 2HE MET 22 5.521 -7.584 -0.628 28 H PHE 23 H PHE 23 5.724 -2.545 -1.398 29 HA PHE 23 HA PHE 23 4.108 -0.054 -1.365 30 HB2 PHE 23 1HB PHE 23 6.186 0.173 -2.525 31 HB3 PHE 23 2HB PHE 23 6.042 -1.407 -3.282 32 HD1 PHE 23 2HD PHE 23 4.530 -1.783 -5.199 33 HD2 PHE 23 1HD PHE 23 5.058 2.134 -3.497 34 HE1 PHE 23 2HE PHE 23 3.538 -0.776 -7.234 35 HE2 PHE 23 1HE PHE 23 4.081 3.129 -5.538 36 HZ PHE 23 HZ PHE 23 3.309 1.698 -7.404 37 H ILE 24 H ILE 24 2.068 -0.065 -2.206 38 HA ILE 24 HA ILE 24 0.960 -2.730 -3.055 39 HB ILE 24 HB ILE 24 -0.583 -0.479 -1.742 40 HG12 ILE 24 1HG1 ILE 24 1.030 -1.060 -0.072 41 HG13 ILE 24 2HG1 ILE 24 -0.545 -1.681 0.363 42 HG21 ILE 24 1HG2 ILE 24 -1.849 -2.147 -3.066 43 HG22 ILE 24 2HG2 ILE 24 -1.174 -3.453 -2.089 44 HG23 ILE 24 3HG2 ILE 24 -2.228 -2.238 -1.340 45 HD11 ILE 24 3HD1 ILE 24 1.296 -3.245 0.911 46 HD12 ILE 24 1HD1 ILE 24 0.145 -3.966 -0.214 47 HD13 ILE 24 2HD1 ILE 24 1.717 -3.375 -0.797 48 H GLY 25 H GLY 25 1.198 -2.542 -5.266 49 HA2 GLY 25 1HA GLY 25 0.213 -0.137 -6.692 50 HA3 GLY 25 2HA GLY 25 1.029 -1.553 -7.388 51 H GLY 26 H GLY 26 -1.173 -0.408 -8.596 52 HA2 GLY 26 1HA GLY 26 -2.930 -1.246 -9.838 53 HA3 GLY 26 2HA GLY 26 -2.763 -2.802 -9.000 54 H LEU 27 H LEU 27 -3.262 -0.050 -6.950 55 HA LEU 27 HA LEU 27 -5.731 -1.086 -5.858 56 HB2 LEU 27 1HB LEU 27 -4.434 1.665 -5.596 57 HB3 LEU 27 2HB LEU 27 -5.784 1.103 -4.644 58 HG LEU 27 HG LEU 27 -2.964 -0.025 -4.541 59 HD11 LEU 27 1HD1 LEU 27 -3.391 2.225 -3.492 60 HD12 LEU 27 2HD1 LEU 27 -4.644 1.495 -2.491 61 HD13 LEU 27 3HD1 LEU 27 -2.950 0.977 -2.310 62 HD21 LEU 27 3HD2 LEU 27 -3.992 -1.250 -2.495 63 HD22 LEU 27 1HD2 LEU 27 -5.552 -0.981 -3.288 64 HD23 LEU 27 2HD2 LEU 27 -4.264 -1.895 -4.112 65 H SER 28 H SER 28 -7.728 0.130 -5.673 66 HA SER 28 HA SER 28 -8.699 1.235 -8.239 67 HB2 SER 28 1HB SER 28 -10.032 -0.241 -6.570 68 HB3 SER 28 2HB SER 28 -10.150 1.209 -5.575 69 HG SER 28 HG SER 28 -11.923 1.095 -6.896 70 H TRP 29 H TRP 29 -9.249 3.443 -8.564 71 HA TRP 29 HA TRP 29 -7.822 5.467 -7.212 72 HB2 TRP 29 1HB TRP 29 -10.157 5.424 -9.091 73 HB3 TRP 29 2HB TRP 29 -9.632 6.938 -8.354 74 HD1 TRP 29 HD TRP 29 -6.558 5.080 -8.950 75 HE1 TRP 29 1HE TRP 29 -5.440 5.721 -11.132 76 HE3 TRP 29 3HE TRP 29 -10.454 7.588 -11.143 77 HZ2 TRP 29 2HZ TRP 29 -6.084 7.240 -13.510 78 HZ3 TRP 29 3HZ TRP 29 -10.173 8.602 -13.390 79 HH2 TRP 29 HH TRP 29 -7.999 8.439 -14.583 80 H GLN 30 H GLN 30 -10.605 3.911 -6.019 81 HA GLN 30 HA GLN 30 -11.283 6.174 -4.181 82 HB2 GLN 30 1HB GLN 30 -12.861 3.681 -4.951 83 HB3 GLN 30 2HB GLN 30 -13.401 4.941 -3.835 84 HG2 GLN 30 1HG GLN 30 -13.268 6.624 -5.677 85 HG3 GLN 30 2HG GLN 30 -12.824 5.339 -6.803 86 HE21 GLN 30 2HE2 GLN 30 -14.522 4.185 -7.800 87 HE22 GLN 30 1HE2 GLN 30 -16.197 4.341 -7.295 88 H THR 31 H THR 31 -9.134 3.746 -4.055 89 HA THR 31 HA THR 31 -9.834 2.336 -1.635 90 HB THR 31 HB THR 31 -7.060 2.721 -2.825 91 HG1 THR 31 1HG THR 31 -8.228 1.921 -4.413 92 HG21 THR 31 3HG2 THR 31 -6.764 0.382 -1.886 93 HG22 THR 31 1HG2 THR 31 -6.939 1.628 -0.648 94 HG23 THR 31 2HG2 THR 31 -8.313 0.567 -1.050 95 H THR 32 H THR 32 -9.112 2.613 0.468 96 HA THR 32 HA THR 32 -7.725 5.162 1.185 97 HB THR 32 HB THR 32 -9.029 5.236 3.240 98 HG1 THR 32 1HG THR 32 -10.831 3.749 3.387 99 HG21 THR 32 3HG2 THR 32 -11.198 5.855 2.368 100 HG22 THR 32 1HG2 THR 32 -9.963 6.355 1.200 101 HG23 THR 32 2HG2 THR 32 -10.945 4.907 0.889 102 H GLN 33 H GLN 33 -6.475 5.070 3.149 103 HA GLN 33 HA GLN 33 -4.828 2.715 3.351 104 HB2 GLN 33 1HB GLN 33 -3.808 3.932 5.299 105 HB3 GLN 33 2HB GLN 33 -3.799 4.792 3.762 106 HG2 GLN 33 1HG GLN 33 -5.605 6.238 4.439 107 HG3 GLN 33 2HG GLN 33 -5.878 5.307 5.923 108 HE21 GLN 33 2HE2 GLN 33 -3.809 7.753 4.371 109 HE22 GLN 33 1HE2 GLN 33 -2.914 8.124 5.834 110 H GLU 34 H GLU 34 -7.699 3.680 5.152 111 HA GLU 34 HA GLU 34 -7.440 1.600 7.181 112 HB2 GLU 34 1HB GLU 34 -9.861 3.141 6.156 113 HB3 GLU 34 2HB GLU 34 -9.876 2.014 7.519 114 HG2 GLU 34 1HG GLU 34 -8.185 3.413 8.695 115 HG3 GLU 34 2HG GLU 34 -8.222 4.571 7.364 116 H GLY 35 H GLY 35 -8.883 1.827 3.910 117 HA2 GLY 35 1HA GLY 35 -10.058 -0.801 3.835 118 HA3 GLY 35 2HA GLY 35 -9.615 0.220 2.444 119 H LEU 36 H LEU 36 -6.769 0.422 3.064 120 HA LEU 36 HA LEU 36 -5.748 -2.113 2.180 121 HB2 LEU 36 1HB LEU 36 -4.204 0.081 3.651 122 HB3 LEU 36 2HB LEU 36 -3.521 -1.264 2.761 123 HG LEU 36 HG LEU 36 -4.950 1.151 1.638 124 HD11 LEU 36 1HD1 LEU 36 -2.540 1.346 2.218 125 HD12 LEU 36 2HD1 LEU 36 -2.185 -0.010 1.125 126 HD13 LEU 36 3HD1 LEU 36 -2.836 1.504 0.475 127 HD21 LEU 36 3HD2 LEU 36 -4.590 0.147 -0.608 128 HD22 LEU 36 1HD2 LEU 36 -4.157 -1.394 0.166 129 HD23 LEU 36 2HD2 LEU 36 -5.794 -0.712 0.347 130 H ARG 37 H ARG 37 -5.698 -0.692 5.513 131 HA ARG 37 HA ARG 37 -4.606 -3.007 6.735 132 HB2 ARG 37 1HB ARG 37 -4.856 -0.842 7.875 133 HB3 ARG 37 2HB ARG 37 -6.617 -1.013 7.874 134 HG2 ARG 37 1HG ARG 37 -6.467 -3.010 9.323 135 HG3 ARG 37 2HG ARG 37 -4.698 -2.955 9.233 136 HD2 ARG 37 1HD ARG 37 -4.816 -0.653 10.256 137 HD3 ARG 37 2HD ARG 37 -6.564 -0.880 10.430 138 HE ARG 37 HE ARG 37 -4.789 -2.937 11.660 139 HH11 ARG 37 1HH1 ARG 37 -6.679 0.001 12.304 140 HH12 ARG 37 2HH1 ARG 37 -6.892 -0.408 13.979 141 HH21 ARG 37 1HH2 ARG 37 -5.211 -3.450 13.775 142 HH22 ARG 37 2HH2 ARG 37 -6.038 -2.312 14.814 143 H GLU 38 H GLU 38 -7.996 -2.270 5.983 144 HA GLU 38 HA GLU 38 -9.221 -4.461 7.190 145 HB2 GLU 38 1HB GLU 38 -10.116 -2.340 5.748 146 HB3 GLU 38 2HB GLU 38 -10.287 -3.589 4.514 147 HG2 GLU 38 1HG GLU 38 -11.578 -4.954 6.189 148 HG3 GLU 38 2HG GLU 38 -11.398 -3.622 7.341 149 H TYR 39 H TYR 39 -7.535 -4.370 4.061 150 HA TYR 39 HA TYR 39 -8.209 -7.175 3.428 151 HB2 TYR 39 1HB TYR 39 -8.148 -5.404 1.705 152 HB3 TYR 39 2HB TYR 39 -6.432 -5.158 2.009 153 HD1 TYR 39 2HD TYR 39 -8.953 -7.751 1.028 154 HD2 TYR 39 1HD TYR 39 -4.817 -6.540 0.889 155 HE1 TYR 39 2HE TYR 39 -8.440 -9.697 -0.423 156 HE2 TYR 39 1HE TYR 39 -4.298 -8.469 -0.580 157 HH TYR 39 HH TYR 39 -6.817 -10.886 -1.493 158 H PHE 40 H PHE 40 -5.320 -5.290 4.371 159 HA PHE 40 HA PHE 40 -3.593 -7.583 4.117 160 HB2 PHE 40 1HB PHE 40 -3.189 -4.700 4.870 161 HB3 PHE 40 2HB PHE 40 -1.891 -5.842 5.079 162 HD1 PHE 40 2HD PHE 40 -1.542 -7.522 2.948 163 HD2 PHE 40 1HD PHE 40 -3.375 -3.629 2.742 164 HE1 PHE 40 2HE PHE 40 -1.169 -7.468 0.499 165 HE2 PHE 40 1HE PHE 40 -3.029 -3.592 0.301 166 HZ PHE 40 HZ PHE 40 -1.921 -5.505 -0.835 167 H GLY 41 H GLY 41 -5.379 -6.341 6.824 168 HA2 GLY 41 1HA GLY 41 -3.936 -7.582 8.952 169 HA3 GLY 41 2HA GLY 41 -5.665 -7.181 8.941 170 H GLN 42 H GLN 42 -5.617 -9.114 6.388 171 HA GLN 42 HA GLN 42 -6.370 -11.590 7.727 172 HB2 GLN 42 1HB GLN 42 -5.722 -11.037 4.797 173 HB3 GLN 42 2HB GLN 42 -6.542 -12.464 5.431 174 HG2 GLN 42 1HG GLN 42 -8.432 -11.039 6.201 175 HG3 GLN 42 2HG GLN 42 -7.620 -9.617 5.540 176 HE21 GLN 42 2HE2 GLN 42 -7.121 -9.662 3.142 177 HE22 GLN 42 1HE2 GLN 42 -8.273 -10.495 2.101 178 H PHE 43 H PHE 43 -3.384 -10.293 6.422 179 HA PHE 43 HA PHE 43 -2.023 -12.939 6.455 180 HB2 PHE 43 1HB PHE 43 -1.059 -10.248 5.411 181 HB3 PHE 43 2HB PHE 43 -0.317 -11.810 5.144 182 HD1 PHE 43 2HD PHE 43 -1.368 -13.459 3.583 183 HD2 PHE 43 1HD PHE 43 -3.059 -9.565 4.180 184 HE1 PHE 43 2HE PHE 43 -2.748 -13.753 1.546 185 HE2 PHE 43 1HE PHE 43 -4.442 -9.835 2.139 186 HZ PHE 43 HZ PHE 43 -4.297 -11.944 0.822 187 H GLY 44 H GLY 44 -1.816 -9.683 7.873 188 HA2 GLY 44 1HA GLY 44 -0.926 -10.573 10.425 189 HA3 GLY 44 2HA GLY 44 0.457 -9.937 9.548 190 H GLU 45 H GLU 45 -0.745 -8.744 11.941 191 HA GLU 45 HA GLU 45 -2.412 -6.524 11.213 192 HB2 GLU 45 1HB GLU 45 -2.263 -7.406 13.511 193 HB3 GLU 45 2HB GLU 45 -0.584 -6.878 13.620 194 HG2 GLU 45 1HG GLU 45 -2.116 -5.352 14.773 195 HG3 GLU 45 2HG GLU 45 -1.259 -4.533 13.477 196 H VAL 46 H VAL 46 -1.895 -4.314 10.966 197 HA VAL 46 HA VAL 46 0.734 -3.969 9.646 198 HB VAL 46 HB VAL 46 -0.177 -2.302 8.305 199 HG11 VAL 46 1HG1 VAL 46 -0.642 -4.657 7.640 200 HG12 VAL 46 2HG1 VAL 46 -2.236 -4.547 8.420 201 HG13 VAL 46 3HG1 VAL 46 -1.861 -3.524 7.029 202 HG21 VAL 46 3HG2 VAL 46 -2.586 -1.661 8.339 203 HG22 VAL 46 1HG2 VAL 46 -2.684 -2.394 9.962 204 HG23 VAL 46 2HG2 VAL 46 -1.611 -1.008 9.662 205 H LYS 47 H LYS 47 2.154 -2.571 10.225 206 HA LYS 47 HA LYS 47 2.019 -1.204 12.830 207 HB2 LYS 47 1HB LYS 47 3.929 -2.610 12.022 208 HB3 LYS 47 2HB LYS 47 4.213 -1.465 10.714 209 HG2 LYS 47 1HG LYS 47 4.827 0.284 12.304 210 HG3 LYS 47 2HG LYS 47 4.332 -0.741 13.664 211 HD2 LYS 47 1HD LYS 47 6.106 -2.390 13.040 212 HD3 LYS 47 2HD LYS 47 6.618 -1.314 11.721 213 HE2 LYS 47 1HE LYS 47 7.090 0.482 13.380 214 HE3 LYS 47 2HE LYS 47 6.555 -0.581 14.689 215 HZ1 LYS 47 3HZ LYS 47 8.968 -0.596 14.468 216 HZ2 LYS 47 1HZ LYS 47 8.384 -2.084 14.137 217 HZ3 LYS 47 2HZ LYS 47 8.882 -1.108 12.920 218 H GLU 48 H GLU 48 1.688 -0.399 9.488 219 HA GLU 48 HA GLU 48 1.013 2.387 9.827 220 HB2 GLU 48 1HB GLU 48 3.273 2.899 10.067 221 HB3 GLU 48 2HB GLU 48 3.814 1.571 9.070 222 HG2 GLU 48 1HG GLU 48 3.104 2.780 7.024 223 HG3 GLU 48 2HG GLU 48 2.588 4.142 8.034 224 H CYS 49 H CYS 49 -0.132 3.041 8.004 225 HA CYS 49 HA CYS 49 0.117 1.572 5.480 226 HB2 CYS 49 1HB CYS 49 -2.315 1.138 5.316 227 HB3 CYS 49 2HB CYS 49 -1.557 0.221 6.624 228 HG CYS 49 HG CYS 49 -4.121 1.391 6.952 229 H LEU 50 H LEU 50 -0.532 2.745 3.688 230 HA LEU 50 HA LEU 50 -1.337 5.589 4.031 231 HB2 LEU 50 1HB LEU 50 1.307 4.544 2.955 232 HB3 LEU 50 2HB LEU 50 0.710 6.135 2.543 233 HG LEU 50 HG LEU 50 1.383 5.242 5.374 234 HD11 LEU 50 1HD1 LEU 50 3.372 5.351 3.909 235 HD12 LEU 50 2HD1 LEU 50 2.949 7.011 3.432 236 HD13 LEU 50 3HD1 LEU 50 3.378 6.645 5.116 237 HD21 LEU 50 3HD2 LEU 50 1.268 7.687 5.865 238 HD22 LEU 50 1HD2 LEU 50 0.705 7.986 4.205 239 HD23 LEU 50 2HD2 LEU 50 -0.301 7.060 5.343 240 H VAL 51 H VAL 51 -1.953 6.602 2.140 241 HA VAL 51 HA VAL 51 -1.950 5.133 -0.430 242 HB VAL 51 HB VAL 51 -4.427 6.386 0.825 243 HG11 VAL 51 1HG1 VAL 51 -4.306 7.200 -1.482 244 HG12 VAL 51 2HG1 VAL 51 -3.992 5.552 -2.076 245 HG13 VAL 51 3HG1 VAL 51 -5.559 5.973 -1.346 246 HG21 VAL 51 3HG2 VAL 51 -5.449 4.186 0.249 247 HG22 VAL 51 1HG2 VAL 51 -3.875 3.613 -0.331 248 HG23 VAL 51 2HG2 VAL 51 -4.107 4.019 1.386 249 H MET 52 H MET 52 -1.171 6.395 -1.949 250 HA MET 52 HA MET 52 -0.271 9.108 -1.163 251 HB2 MET 52 1HB MET 52 0.602 7.053 -3.207 252 HB3 MET 52 2HB MET 52 1.351 8.661 -3.064 253 HG2 MET 52 1HG MET 52 1.264 6.718 -0.756 254 HG3 MET 52 2HG MET 52 2.582 6.838 -1.911 255 HE1 MET 52 3HE MET 52 2.048 9.275 1.774 256 HE2 MET 52 1HE MET 52 0.637 8.583 0.936 257 HE3 MET 52 2HE MET 52 1.985 7.529 1.438 258 H ARG 53 H ARG 53 -2.909 9.140 -1.766 259 HA ARG 53 HA ARG 53 -3.642 9.482 -4.446 260 HB2 ARG 53 1HB ARG 53 -5.732 10.350 -3.630 261 HB3 ARG 53 2HB ARG 53 -5.216 9.023 -2.599 262 HG2 ARG 53 1HG ARG 53 -4.427 10.699 -0.898 263 HG3 ARG 53 2HG ARG 53 -5.046 11.994 -1.949 264 HD2 ARG 53 1HD ARG 53 -7.309 10.891 -1.867 265 HD3 ARG 53 2HD ARG 53 -6.664 9.747 -0.676 266 HE ARG 53 HE ARG 53 -6.073 12.307 0.300 267 HH11 ARG 53 1HH1 ARG 53 -9.032 10.485 -0.382 268 HH12 ARG 53 2HH1 ARG 53 -9.954 11.370 0.796 269 HH21 ARG 53 1HH2 ARG 53 -7.323 13.400 1.810 270 HH22 ARG 53 2HH2 ARG 53 -8.996 12.990 2.022 271 H ASP 54 H ASP 54 -4.359 11.248 -5.652 272 HA ASP 54 HA ASP 54 -2.713 13.640 -5.660 273 HB2 ASP 54 1HB ASP 54 -3.540 12.645 -7.722 274 HB3 ASP 54 2HB ASP 54 -5.207 12.769 -7.168 275 HA PRO 55 HA PRO 55 -5.398 15.501 -2.621 276 HB2 PRO 55 1HB PRO 55 -4.264 17.968 -2.302 277 HB3 PRO 55 2HB PRO 55 -3.456 16.452 -1.800 278 HG2 PRO 55 1HG PRO 55 -3.063 18.004 -4.379 279 HG3 PRO 55 2HG PRO 55 -1.808 17.381 -3.261 280 HD2 PRO 55 1HD PRO 55 -2.568 16.022 -5.511 281 HD3 PRO 55 2HD PRO 55 -2.110 15.171 -4.004 282 H LEU 56 H LEU 56 -5.362 16.711 -5.894 283 HA LEU 56 HA LEU 56 -7.477 18.724 -5.382 284 HB2 LEU 56 1HB LEU 56 -5.902 17.805 -7.819 285 HB3 LEU 56 2HB LEU 56 -7.354 18.753 -7.988 286 HG LEU 56 HG LEU 56 -5.381 20.126 -8.176 287 HD11 LEU 56 1HD1 LEU 56 -7.474 21.115 -7.272 288 HD12 LEU 56 2HD1 LEU 56 -6.878 20.841 -5.620 289 HD13 LEU 56 3HD1 LEU 56 -6.014 21.942 -6.704 290 HD21 LEU 56 3HD2 LEU 56 -3.859 20.612 -6.372 291 HD22 LEU 56 1HD2 LEU 56 -4.743 19.559 -5.256 292 HD23 LEU 56 2HD2 LEU 56 -3.870 18.860 -6.645 293 H THR 57 H THR 57 -7.088 15.532 -6.917 294 HA THR 57 HA THR 57 -10.028 15.415 -7.463 295 HB THR 57 HB THR 57 -9.482 13.722 -9.109 296 HG1 THR 57 1HG THR 57 -6.779 14.233 -8.380 297 HG21 THR 57 3HG2 THR 57 -8.293 15.066 -10.737 298 HG22 THR 57 1HG2 THR 57 -9.390 16.103 -9.807 299 HG23 THR 57 2HG2 THR 57 -7.645 16.126 -9.470 300 H LYS 58 H LYS 58 -7.765 14.123 -5.316 301 HA LYS 58 HA LYS 58 -7.795 12.614 -3.686 302 HB2 LYS 58 1HB LYS 58 -10.797 12.712 -4.138 303 HB3 LYS 58 2HB LYS 58 -10.057 11.707 -2.910 304 HG2 LYS 58 1HG LYS 58 -10.825 13.770 -1.948 305 HG3 LYS 58 2HG LYS 58 -9.077 13.622 -1.786 306 HD2 LYS 58 1HD LYS 58 -8.699 15.293 -3.491 307 HD3 LYS 58 2HD LYS 58 -10.421 15.301 -3.946 308 HE2 LYS 58 1HE LYS 58 -11.017 16.202 -1.736 309 HE3 LYS 58 2HE LYS 58 -9.331 16.104 -1.211 310 HZ1 LYS 58 3HZ LYS 58 -9.944 18.346 -1.949 311 HZ2 LYS 58 1HZ LYS 58 -8.747 17.733 -2.880 312 HZ3 LYS 58 2HZ LYS 58 -10.283 17.799 -3.455 313 H ARG 59 H ARG 59 -8.150 11.747 -6.755 314 HA ARG 59 HA ARG 59 -8.496 8.906 -6.829 315 HB2 ARG 59 1HB ARG 59 -6.903 10.896 -8.469 316 HB3 ARG 59 2HB ARG 59 -6.968 9.175 -8.867 317 HG2 ARG 59 1HG ARG 59 -9.298 9.210 -9.291 318 HG3 ARG 59 2HG ARG 59 -9.533 10.769 -8.513 319 HD2 ARG 59 1HD ARG 59 -9.663 10.783 -11.024 320 HD3 ARG 59 2HD ARG 59 -8.603 11.976 -10.306 321 HE ARG 59 HE ARG 59 -7.804 9.553 -11.828 322 HH11 ARG 59 1HH1 ARG 59 -6.711 12.528 -10.207 323 HH12 ARG 59 2HH1 ARG 59 -5.179 12.502 -11.033 324 HH21 ARG 59 1HH2 ARG 59 -5.806 9.579 -12.806 325 HH22 ARG 59 2HH2 ARG 59 -4.664 10.844 -12.463 326 H SER 60 H SER 60 -7.367 7.359 -5.953 327 HA SER 60 HA SER 60 -5.088 7.650 -4.325 328 HB2 SER 60 1HB SER 60 -5.150 5.297 -4.112 329 HB3 SER 60 2HB SER 60 -6.832 5.794 -4.397 330 HG SER 60 HG SER 60 -6.475 4.115 -5.765 331 H ARG 61 H ARG 61 -5.012 7.796 -7.689 332 HA ARG 61 HA ARG 61 -3.495 7.498 -9.347 333 HB2 ARG 61 1HB ARG 61 -1.451 7.737 -7.089 334 HB3 ARG 61 2HB ARG 61 -1.016 7.533 -8.779 335 HG2 ARG 61 1HG ARG 61 -2.378 9.570 -9.345 336 HG3 ARG 61 2HG ARG 61 -2.541 9.882 -7.608 337 HD2 ARG 61 1HD ARG 61 0.136 9.481 -9.033 338 HD3 ARG 61 2HD ARG 61 -0.605 11.058 -8.831 339 HE ARG 61 HE ARG 61 -0.619 10.445 -6.318 340 HH11 ARG 61 1HH1 ARG 61 2.080 9.835 -8.552 341 HH12 ARG 61 2HH1 ARG 61 3.232 9.679 -7.251 342 HH21 ARG 61 1HH2 ARG 61 0.915 10.266 -4.738 343 HH22 ARG 61 2HH2 ARG 61 2.617 10.138 -5.154 344 H GLY 62 H GLY 62 -4.469 5.127 -7.522 345 HA2 GLY 62 1HA GLY 62 -4.552 2.872 -7.912 346 HA3 GLY 62 2HA GLY 62 -3.307 3.028 -9.176 347 H PHE 63 H PHE 63 -2.455 4.338 -6.000 348 HA PHE 63 HA PHE 63 -1.338 1.810 -5.153 349 HB2 PHE 63 1HB PHE 63 0.922 2.142 -5.487 350 HB3 PHE 63 2HB PHE 63 0.238 2.714 -6.986 351 HD1 PHE 63 2HD PHE 63 -0.036 5.286 -7.298 352 HD2 PHE 63 1HD PHE 63 2.182 3.520 -4.049 353 HE1 PHE 63 2HE PHE 63 1.056 7.473 -6.865 354 HE2 PHE 63 1HE PHE 63 3.342 5.673 -3.679 355 HZ PHE 63 HZ PHE 63 2.762 7.643 -4.998 356 H GLY 64 H GLY 64 -0.155 1.750 -3.257 357 HA2 GLY 64 1HA GLY 64 0.045 4.077 -1.462 358 HA3 GLY 64 2HA GLY 64 -1.074 2.827 -0.940 359 H PHE 65 H PHE 65 0.279 2.535 0.903 360 HA PHE 65 HA PHE 65 2.524 0.634 0.513 361 HB2 PHE 65 1HB PHE 65 2.730 3.304 1.953 362 HB3 PHE 65 2HB PHE 65 3.796 1.973 2.289 363 HD1 PHE 65 1HD PHE 65 2.896 4.555 -0.287 364 HD2 PHE 65 2HD PHE 65 5.561 1.320 0.825 365 HE1 PHE 65 1HE PHE 65 4.556 5.339 -1.908 366 HE2 PHE 65 2HE PHE 65 7.216 2.139 -0.813 367 HZ PHE 65 HZ PHE 65 6.721 4.171 -2.182 368 H VAL 66 H VAL 66 2.793 -0.786 2.231 369 HA VAL 66 HA VAL 66 1.316 -0.304 4.780 370 HB VAL 66 HB VAL 66 1.060 -2.858 3.141 371 HG11 VAL 66 1HG1 VAL 66 1.308 -3.480 5.515 372 HG12 VAL 66 2HG1 VAL 66 0.086 -2.272 5.968 373 HG13 VAL 66 3HG1 VAL 66 -0.364 -3.697 5.003 374 HG21 VAL 66 3HG2 VAL 66 -1.365 -2.411 3.262 375 HG22 VAL 66 1HG2 VAL 66 -1.065 -0.907 4.159 376 HG23 VAL 66 2HG2 VAL 66 -0.538 -1.072 2.476 377 H THR 67 H THR 67 2.548 -0.636 6.446 378 HA THR 67 HA THR 67 4.988 -2.374 6.360 379 HB THR 67 HB THR 67 4.213 -0.403 8.524 380 HG1 THR 67 1HG THR 67 5.411 1.127 7.421 381 HG21 THR 67 3HG2 THR 67 6.650 -0.433 8.986 382 HG22 THR 67 1HG2 THR 67 5.961 -2.058 9.124 383 HG23 THR 67 2HG2 THR 67 6.886 -1.617 7.685 384 H PHE 68 H PHE 68 5.064 -4.126 7.731 385 HA PHE 68 HA PHE 68 2.533 -4.827 9.155 386 HB2 PHE 68 1HB PHE 68 4.719 -6.536 7.946 387 HB3 PHE 68 2HB PHE 68 3.402 -7.152 8.939 388 HD1 PHE 68 2HD PHE 68 4.167 -5.481 5.686 389 HD2 PHE 68 1HD PHE 68 1.200 -7.497 8.078 390 HE1 PHE 68 2HE PHE 68 2.724 -5.731 3.683 391 HE2 PHE 68 1HE PHE 68 -0.242 -7.744 6.074 392 HZ PHE 68 HZ PHE 68 0.527 -6.868 3.872 393 H MET 69 H MET 69 2.575 -5.679 11.223 394 HA MET 69 HA MET 69 4.740 -4.857 13.006 395 HB2 MET 69 1HB MET 69 2.270 -6.577 13.510 396 HB3 MET 69 2HB MET 69 3.367 -5.944 14.736 397 HG2 MET 69 1HG MET 69 2.821 -3.601 13.744 398 HG3 MET 69 2HG MET 69 1.482 -4.412 12.934 399 HE1 MET 69 3HE MET 69 1.935 -3.578 17.451 400 HE2 MET 69 1HE MET 69 3.098 -4.614 16.605 401 HE3 MET 69 2HE MET 69 2.933 -2.903 16.148 402 H ASP 70 H ASP 70 4.441 -7.478 11.000 403 HA ASP 70 HA ASP 70 6.660 -8.956 12.208 404 HB2 ASP 70 1HB ASP 70 5.476 -11.098 12.191 405 HB3 ASP 70 2HB ASP 70 4.741 -9.975 13.323 406 H GLN 71 H GLN 71 7.712 -10.372 10.713 407 HA GLN 71 HA GLN 71 7.518 -9.478 7.955 408 HB2 GLN 71 1HB GLN 71 9.626 -10.060 9.209 409 HB3 GLN 71 2HB GLN 71 9.148 -11.750 9.166 410 HG2 GLN 71 1HG GLN 71 10.788 -11.290 7.421 411 HG3 GLN 71 2HG GLN 71 9.259 -11.765 6.708 412 HE21 GLN 71 2HE2 GLN 71 10.130 -10.769 4.698 413 HE22 GLN 71 1HE2 GLN 71 10.047 -9.027 4.518 414 H ALA 72 H ALA 72 6.213 -12.210 9.718 415 HA ALA 72 HA ALA 72 5.824 -14.033 7.584 416 HB1 ALA 72 1HB ALA 72 5.607 -14.614 9.977 417 HB2 ALA 72 2HB ALA 72 4.129 -13.627 10.090 418 HB3 ALA 72 3HB ALA 72 4.159 -15.075 9.064 419 H GLY 73 H GLY 73 3.752 -11.236 8.523 420 HA2 GLY 73 1HA GLY 73 1.687 -11.798 6.611 421 HA3 GLY 73 2HA GLY 73 2.064 -10.205 7.287 422 H VAL 74 H VAL 74 4.836 -10.232 6.227 423 HA VAL 74 HA VAL 74 4.315 -9.217 3.531 424 HB VAL 74 HB VAL 74 6.947 -9.728 4.973 425 HG11 VAL 74 1HG1 VAL 74 7.402 -9.884 2.592 426 HG12 VAL 74 2HG1 VAL 74 6.488 -8.395 2.279 427 HG13 VAL 74 3HG1 VAL 74 8.000 -8.342 3.203 428 HG21 VAL 74 3HG2 VAL 74 7.055 -7.278 5.139 429 HG22 VAL 74 1HG2 VAL 74 5.468 -7.146 4.356 430 HG23 VAL 74 2HG2 VAL 74 5.621 -7.902 5.960 431 H ASP 75 H ASP 75 5.958 -12.110 4.922 432 HA ASP 75 HA ASP 75 6.706 -13.407 2.564 433 HB2 ASP 75 1HB ASP 75 7.247 -14.046 4.952 434 HB3 ASP 75 2HB ASP 75 5.641 -14.735 5.089 435 H LYS 76 H LYS 76 3.527 -13.642 4.241 436 HA LYS 76 HA LYS 76 2.405 -15.579 2.450 437 HB2 LYS 76 1HB LYS 76 1.105 -13.466 4.203 438 HB3 LYS 76 2HB LYS 76 0.246 -14.803 3.403 439 HG2 LYS 76 1HG LYS 76 1.219 -16.461 4.749 440 HG3 LYS 76 2HG LYS 76 2.496 -15.389 5.340 441 HD2 LYS 76 1HD LYS 76 0.732 -13.947 6.413 442 HD3 LYS 76 2HD LYS 76 -0.505 -15.113 5.897 443 HE2 LYS 76 1HE LYS 76 0.605 -16.865 7.245 444 HE3 LYS 76 2HE LYS 76 1.870 -15.710 7.707 445 HZ1 LYS 76 3HZ LYS 76 0.229 -15.816 9.450 446 HZ2 LYS 76 1HZ LYS 76 0.084 -14.344 8.733 447 HZ3 LYS 76 2HZ LYS 76 -1.004 -15.522 8.420 448 H VAL 77 H VAL 77 2.433 -12.025 2.283 449 HA VAL 77 HA VAL 77 0.492 -11.867 0.149 450 HB VAL 77 HB VAL 77 2.532 -9.852 1.126 451 HG11 VAL 77 1HG1 VAL 77 1.956 -9.220 -1.191 452 HG12 VAL 77 2HG1 VAL 77 0.227 -9.368 -0.815 453 HG13 VAL 77 3HG1 VAL 77 1.210 -8.107 -0.046 454 HG21 VAL 77 3HG2 VAL 77 0.608 -8.803 2.235 455 HG22 VAL 77 1HG2 VAL 77 -0.521 -9.925 1.445 456 HG23 VAL 77 2HG2 VAL 77 0.588 -10.517 2.677 457 H LEU 78 H LEU 78 4.040 -12.228 0.212 458 HA LEU 78 HA LEU 78 4.373 -11.957 -2.680 459 HB2 LEU 78 1HB LEU 78 6.098 -13.314 -0.577 460 HB3 LEU 78 2HB LEU 78 6.621 -12.844 -2.190 461 HG LEU 78 HG LEU 78 5.668 -10.835 -0.095 462 HD11 LEU 78 1HD1 LEU 78 7.544 -12.118 0.725 463 HD12 LEU 78 2HD1 LEU 78 8.455 -11.834 -0.775 464 HD13 LEU 78 3HD1 LEU 78 8.084 -10.468 0.317 465 HD21 LEU 78 3HD2 LEU 78 6.881 -9.209 -1.497 466 HD22 LEU 78 1HD2 LEU 78 7.177 -10.476 -2.710 467 HD23 LEU 78 2HD2 LEU 78 5.513 -9.946 -2.338 468 H ALA 79 H ALA 79 3.998 -14.666 -0.403 469 HA ALA 79 HA ALA 79 4.442 -16.707 -2.305 470 HB1 ALA 79 1HB ALA 79 4.732 -16.967 0.128 471 HB2 ALA 79 2HB ALA 79 2.975 -16.810 0.368 472 HB3 ALA 79 3HB ALA 79 3.636 -18.205 -0.510 473 H GLN 80 H GLN 80 1.503 -14.902 -1.739 474 HA GLN 80 HA GLN 80 -0.245 -16.938 -2.965 475 HB2 GLN 80 1HB GLN 80 -0.967 -15.701 -0.974 476 HB3 GLN 80 2HB GLN 80 -0.835 -14.171 -1.844 477 HG2 GLN 80 1HG GLN 80 -2.617 -14.841 -3.384 478 HG3 GLN 80 2HG GLN 80 -2.675 -16.459 -2.684 479 HE21 GLN 80 2HE2 GLN 80 -4.319 -13.558 -2.688 480 HE22 GLN 80 1HE2 GLN 80 -5.093 -13.727 -1.111 481 H SER 81 H SER 81 -1.087 -16.870 -5.014 482 HA SER 81 HA SER 81 0.401 -15.354 -6.942 483 HB2 SER 81 1HB SER 81 -1.927 -17.247 -7.384 484 HB3 SER 81 2HB SER 81 -0.694 -16.772 -8.564 485 HG SER 81 HG SER 81 -0.239 -18.827 -7.625 486 H ARG 82 H ARG 82 -2.421 -14.352 -5.408 487 HA ARG 82 HA ARG 82 -2.983 -12.260 -7.348 488 HB2 ARG 82 1HB ARG 82 -4.218 -14.070 -8.433 489 HB3 ARG 82 2HB ARG 82 -5.031 -14.483 -6.918 490 HG2 ARG 82 1HG ARG 82 -6.229 -12.356 -6.916 491 HG3 ARG 82 2HG ARG 82 -5.309 -11.788 -8.321 492 HD2 ARG 82 1HD ARG 82 -6.374 -13.470 -9.735 493 HD3 ARG 82 2HD ARG 82 -7.180 -14.191 -8.332 494 HE ARG 82 HE ARG 82 -8.689 -12.396 -8.224 495 HH11 ARG 82 1HH1 ARG 82 -6.390 -11.765 -10.853 496 HH12 ARG 82 2HH1 ARG 82 -7.143 -10.226 -11.207 497 HH21 ARG 82 1HH2 ARG 82 -9.637 -10.448 -8.850 498 HH22 ARG 82 2HH2 ARG 82 -8.868 -9.518 -10.126 499 H HIS 83 H HIS 83 -4.111 -10.563 -6.475 500 HA HIS 83 HA HIS 83 -5.437 -10.818 -3.842 501 HB2 HIS 83 1HB HIS 83 -3.227 -8.844 -4.533 502 HB3 HIS 83 2HB HIS 83 -4.289 -8.691 -3.125 503 HD1 HIS 83 1HD HIS 83 -4.004 -10.697 -1.236 504 HD2 HIS 83 2HD HIS 83 -1.137 -10.434 -4.300 505 HE1 HIS 83 1HE HIS 83 -1.987 -12.072 -0.461 506 H GLU 84 H GLU 84 -7.031 -9.165 -3.464 507 HA GLU 84 HA GLU 84 -7.781 -7.397 -5.701 508 HB2 GLU 84 1HB GLU 84 -8.594 -9.728 -6.248 509 HB3 GLU 84 2HB GLU 84 -9.604 -9.655 -4.800 510 HG2 GLU 84 1HG GLU 84 -10.703 -7.584 -5.773 511 HG3 GLU 84 2HG GLU 84 -9.753 -7.836 -7.244 512 H LEU 85 H LEU 85 -8.744 -5.626 -5.003 513 HA LEU 85 HA LEU 85 -10.274 -5.499 -2.488 514 HB2 LEU 85 1HB LEU 85 -7.979 -5.199 -1.722 515 HB3 LEU 85 2HB LEU 85 -7.665 -4.016 -2.993 516 HG LEU 85 HG LEU 85 -9.233 -2.423 -1.928 517 HD11 LEU 85 1HD1 LEU 85 -10.816 -3.908 -0.800 518 HD12 LEU 85 2HD1 LEU 85 -9.525 -4.590 0.202 519 HD13 LEU 85 3HD1 LEU 85 -10.022 -2.900 0.417 520 HD21 LEU 85 3HD2 LEU 85 -7.832 -1.920 0.028 521 HD22 LEU 85 1HD2 LEU 85 -7.124 -3.548 -0.033 522 HD23 LEU 85 2HD2 LEU 85 -6.835 -2.398 -1.356 523 H ASP 86 H ASP 86 -11.895 -4.049 -2.655 524 HA ASP 86 HA ASP 86 -13.493 -2.835 -3.664 525 HB2 ASP 86 1HB ASP 86 -11.794 -1.045 -3.197 526 HB3 ASP 86 2HB ASP 86 -11.255 -1.173 -4.868 527 H SER 87 H SER 87 -12.715 -5.198 -4.965 528 HA SER 87 HA SER 87 -13.086 -6.462 -6.808 529 HB2 SER 87 1HB SER 87 -14.610 -4.102 -7.958 530 HB3 SER 87 2HB SER 87 -14.689 -5.790 -8.468 531 HG SER 87 HG SER 87 -15.438 -4.783 -5.903 532 H LYS 88 H LYS 88 -10.706 -4.502 -6.733 533 HA LYS 88 HA LYS 88 -9.959 -4.593 -9.637 534 HB2 LYS 88 1HB LYS 88 -9.251 -2.664 -7.391 535 HB3 LYS 88 2HB LYS 88 -8.342 -2.732 -8.889 536 HG2 LYS 88 1HG LYS 88 -11.330 -2.451 -9.134 537 HG3 LYS 88 2HG LYS 88 -10.437 -1.081 -8.488 538 HD2 LYS 88 1HD LYS 88 -8.981 -1.049 -10.500 539 HD3 LYS 88 2HD LYS 88 -9.880 -2.430 -11.146 540 HE2 LYS 88 1HE LYS 88 -10.759 -0.407 -12.168 541 HE3 LYS 88 2HE LYS 88 -11.983 -1.063 -11.080 542 HZ1 LYS 88 3HZ LYS 88 -11.792 1.322 -10.799 543 HZ2 LYS 88 1HZ LYS 88 -11.270 0.622 -9.418 544 HZ3 LYS 88 2HZ LYS 88 -10.195 1.242 -10.491 545 H THR 89 H THR 89 -8.046 -5.504 -10.167 546 HA THR 89 HA THR 89 -6.907 -7.456 -8.279 547 HB THR 89 HB THR 89 -5.926 -6.791 -11.085 548 HG1 THR 89 1HG THR 89 -7.902 -7.516 -11.469 549 HG21 THR 89 3HG2 THR 89 -5.066 -9.123 -10.970 550 HG22 THR 89 1HG2 THR 89 -4.330 -8.105 -9.728 551 HG23 THR 89 2HG2 THR 89 -5.616 -9.245 -9.282 552 H ILE 90 H ILE 90 -5.359 -6.950 -6.834 553 HA ILE 90 HA ILE 90 -3.670 -4.537 -7.360 554 HB ILE 90 HB ILE 90 -3.303 -4.303 -5.022 555 HG12 ILE 90 1HG1 ILE 90 -5.074 -6.702 -4.504 556 HG13 ILE 90 2HG1 ILE 90 -3.315 -6.633 -4.308 557 HG21 ILE 90 1HG2 ILE 90 -5.375 -3.339 -6.115 558 HG22 ILE 90 2HG2 ILE 90 -6.295 -4.737 -5.532 559 HG23 ILE 90 3HG2 ILE 90 -5.588 -3.611 -4.384 560 HD11 ILE 90 3HD1 ILE 90 -4.218 -6.321 -2.142 561 HD12 ILE 90 1HD1 ILE 90 -3.657 -4.717 -2.674 562 HD13 ILE 90 2HD1 ILE 90 -5.390 -5.124 -2.705 563 H ASP 91 H ASP 91 -1.488 -4.528 -6.914 564 HA ASP 91 HA ASP 91 -0.108 -7.172 -7.176 565 HB2 ASP 91 1HB ASP 91 -0.514 -6.154 -9.369 566 HB3 ASP 91 2HB ASP 91 0.271 -4.669 -8.833 567 HA PRO 92 HA PRO 92 1.920 -4.544 -3.929 568 HB2 PRO 92 1HB PRO 92 1.692 -6.259 -1.785 569 HB3 PRO 92 2HB PRO 92 0.446 -5.074 -2.261 570 HG2 PRO 92 1HG PRO 92 0.525 -8.029 -2.883 571 HG3 PRO 92 2HG PRO 92 -0.882 -7.010 -2.387 572 HD2 PRO 92 1HD PRO 92 -0.400 -7.711 -4.972 573 HD3 PRO 92 2HD PRO 92 -1.169 -6.172 -4.475 574 H LYS 93 H LYS 93 3.983 -4.711 -3.157 575 HA LYS 93 HA LYS 93 5.661 -7.091 -3.542 576 HB2 LYS 93 1HB LYS 93 7.078 -5.975 -5.261 577 HB3 LYS 93 2HB LYS 93 5.443 -6.309 -5.827 578 HG2 LYS 93 1HG LYS 93 4.802 -3.950 -5.450 579 HG3 LYS 93 2HG LYS 93 6.409 -3.596 -4.807 580 HD2 LYS 93 1HD LYS 93 6.281 -2.794 -7.083 581 HD3 LYS 93 2HD LYS 93 7.414 -4.140 -6.998 582 HE2 LYS 93 1HE LYS 93 6.104 -4.392 -9.002 583 HE3 LYS 93 2HE LYS 93 5.646 -5.673 -7.882 584 HZ1 LYS 93 3HZ LYS 93 3.697 -4.701 -8.874 585 HZ2 LYS 93 1HZ LYS 93 3.666 -4.325 -7.298 586 HZ3 LYS 93 2HZ LYS 93 4.089 -3.189 -8.416 587 H VAL 94 H VAL 94 8.015 -6.553 -3.027 588 HA VAL 94 HA VAL 94 8.060 -5.409 -0.411 589 HB VAL 94 HB VAL 94 10.423 -6.115 -2.195 590 HG11 VAL 94 1HG1 VAL 94 11.198 -4.660 -0.374 591 HG12 VAL 94 2HG1 VAL 94 10.294 -5.622 0.820 592 HG13 VAL 94 3HG1 VAL 94 11.685 -6.320 -0.038 593 HG21 VAL 94 3HG2 VAL 94 10.469 -8.211 -0.826 594 HG22 VAL 94 1HG2 VAL 94 8.954 -7.712 -0.043 595 HG23 VAL 94 2HG2 VAL 94 8.996 -8.069 -1.783 596 H ALA 95 H ALA 95 8.632 -3.474 0.410 597 HA ALA 95 HA ALA 95 8.698 -1.187 -1.448 598 HB1 ALA 95 1HB ALA 95 7.173 -1.216 0.507 599 HB2 ALA 95 2HB ALA 95 8.568 -1.342 1.592 600 HB3 ALA 95 3HB ALA 95 8.324 0.119 0.617 601 H PHE 96 H PHE 96 10.234 0.411 -1.551 602 HA PHE 96 HA PHE 96 12.956 -0.039 -0.704 603 HB2 PHE 96 1HB PHE 96 11.617 2.586 -1.444 604 HB3 PHE 96 2HB PHE 96 13.340 2.257 -1.457 605 HD1 PHE 96 2HD PHE 96 12.986 -0.595 -2.903 606 HD2 PHE 96 1HD PHE 96 11.600 3.416 -3.701 607 HE1 PHE 96 2HE PHE 96 12.794 -1.133 -5.307 608 HE2 PHE 96 1HE PHE 96 11.414 2.866 -6.109 609 HZ PHE 96 HZ PHE 96 12.000 0.587 -6.918 610 HA PRO 97 HA PRO 97 12.945 0.810 3.525 611 HB2 PRO 97 1HB PRO 97 15.046 2.949 3.080 612 HB3 PRO 97 2HB PRO 97 15.003 1.659 4.326 613 HG2 PRO 97 1HG PRO 97 16.489 1.310 2.100 614 HG3 PRO 97 2HG PRO 97 15.454 -0.034 2.687 615 HD2 PRO 97 1HD PRO 97 14.920 1.913 0.436 616 HD3 PRO 97 2HD PRO 97 14.638 0.148 0.510 617 H ARG 98 H ARG 98 12.043 1.980 5.164 618 HA ARG 98 HA ARG 98 10.625 4.463 4.454 619 HB2 ARG 98 1HB ARG 98 9.248 4.096 6.345 620 HB3 ARG 98 2HB ARG 98 9.377 2.584 5.453 621 HG2 ARG 98 1HG ARG 98 11.020 1.733 7.108 622 HG3 ARG 98 2HG ARG 98 10.872 3.234 8.028 623 HD2 ARG 98 1HD ARG 98 8.613 1.264 7.471 624 HD3 ARG 98 2HD ARG 98 9.514 1.370 8.973 625 HE ARG 98 HE ARG 98 7.304 3.048 8.128 626 HH11 ARG 98 1HH1 ARG 98 10.163 3.097 10.236 627 HH12 ARG 98 2HH1 ARG 98 9.493 4.349 11.236 628 HH21 ARG 98 1HH2 ARG 98 6.554 4.679 9.384 629 HH22 ARG 98 2HH2 ARG 98 7.459 5.214 10.779 630 H ARG 99 H ARG 99 10.703 6.355 5.617 631 HA ARG 99 HA ARG 99 12.657 6.712 7.833 632 HB2 ARG 99 1HB ARG 99 12.524 8.490 5.356 633 HB3 ARG 99 2HB ARG 99 13.457 8.838 6.803 634 HG2 ARG 99 1HG ARG 99 13.936 6.466 4.946 635 HG3 ARG 99 2HG ARG 99 14.816 7.988 4.912 636 HD2 ARG 99 1HD ARG 99 15.714 7.608 7.157 637 HD3 ARG 99 2HD ARG 99 14.737 6.157 7.344 638 HE ARG 99 HE ARG 99 16.175 4.941 6.040 639 HH11 ARG 99 1HH1 ARG 99 17.115 8.337 5.672 640 HH12 ARG 99 2HH1 ARG 99 18.597 7.929 4.862 641 HH21 ARG 99 1HH2 ARG 99 18.099 4.493 4.993 642 HH22 ARG 99 2HH2 ARG 99 19.140 5.784 4.479 643 H ALA 100 H ALA 100 11.720 7.750 9.453 644 HA ALA 100 HA ALA 100 9.891 9.969 9.230 645 HB1 ALA 100 1HB ALA 100 8.282 8.174 8.643 646 HB2 ALA 100 2HB ALA 100 8.760 7.258 10.089 647 HB3 ALA 100 3HB ALA 100 7.919 8.814 10.250 648 H GLN 101 H GLN 101 9.374 10.885 11.308 649 HA GLN 101 HA GLN 101 10.533 9.701 13.741 650 HB2 GLN 101 1HB GLN 101 11.307 12.424 12.599 651 HB3 GLN 101 2HB GLN 101 11.536 11.963 14.283 652 HG2 GLN 101 1HG GLN 101 12.964 10.039 13.535 653 HG3 GLN 101 2HG GLN 101 12.856 10.638 11.877 654 HE21 GLN 101 2HE2 GLN 101 15.138 10.447 14.074 655 HE22 GLN 101 1HE2 GLN 101 15.867 12.041 13.939 656 HA PRO 102 HA PRO 102 6.643 11.515 15.090 657 HB2 PRO 102 1HB PRO 102 6.746 11.033 17.767 658 HB3 PRO 102 2HB PRO 102 6.584 9.715 16.565 659 HG2 PRO 102 1HG PRO 102 9.124 10.709 17.903 660 HG3 PRO 102 2HG PRO 102 8.541 9.018 17.758 661 HD2 PRO 102 1HD PRO 102 10.354 10.086 16.021 662 HD3 PRO 102 2HD PRO 102 9.110 8.918 15.477 663 H LYS 103 H LYS 103 5.803 13.296 16.316 664 HA LYS 103 HA LYS 103 7.715 15.401 17.190 665 HB2 LYS 103 1HB LYS 103 5.693 15.757 14.936 666 HB3 LYS 103 2HB LYS 103 6.735 17.011 15.619 667 HG2 LYS 103 1HG LYS 103 8.746 15.762 14.826 668 HG3 LYS 103 2HG LYS 103 7.677 14.535 14.122 669 HD2 LYS 103 1HD LYS 103 6.643 16.308 12.673 670 HD3 LYS 103 2HD LYS 103 7.833 17.453 13.310 671 HE2 LYS 103 1HE LYS 103 8.668 16.647 11.208 672 HE3 LYS 103 2HE LYS 103 9.672 15.960 12.488 673 HZ1 LYS 103 3HZ LYS 103 9.052 14.296 10.821 674 HZ2 LYS 103 1HZ LYS 103 8.404 13.869 12.262 675 HZ3 LYS 103 2HZ LYS 103 7.463 14.531 11.097 676 H5' G 104 H5' G 104 -4.538 -0.688 -14.016 677 H5'' G 104 H5" G 104 -2.907 -0.348 -13.428 678 H4' G 104 H4' G 104 -3.846 1.635 -14.467 679 H3' G 104 H3' G 104 -2.861 1.612 -11.757 680 H2' G 104 H2' G 104 -4.824 2.346 -10.804 681 HO2' G 104 HO2 G 104 -3.443 4.496 -11.890 682 H1' G 104 H1' G 104 -5.586 3.736 -13.391 683 H8 G 104 8H G 104 -6.900 2.139 -10.132 684 H1 G 104 1H G 104 -11.399 4.897 -13.806 685 H21 G 104 1H2 G 104 -10.438 5.593 -15.725 686 H22 G 104 2H2 G 104 -8.729 5.299 -15.994 687 HO5' G 104 H5T G 104 -5.305 -0.532 -11.884 688 H5' U 105 H5' U 105 -1.406 2.972 -10.531 689 H5'' U 105 H5" U 105 -0.281 4.143 -11.221 690 H4' U 105 H4' U 105 0.576 3.352 -9.133 691 H3' U 105 H3' U 105 2.092 3.390 -11.418 692 H2' U 105 H2' U 105 1.834 1.127 -11.955 693 HO2' U 105 HO2 U 105 4.224 1.635 -10.883 694 H1' U 105 H1' U 105 2.149 0.317 -9.071 695 H3 U 105 3H U 105 1.792 -3.991 -10.544 696 H5 U 105 5H U 105 -1.391 -2.069 -12.464 697 H6 U 105 6H U 105 -0.668 0.041 -11.480 698 H5' A 106 H5' A 106 3.585 4.638 -7.069 699 H5'' A 106 H5" A 106 3.857 6.032 -8.106 700 H4' A 106 H4' A 106 4.747 6.511 -5.954 701 H3' A 106 H3' A 106 6.236 6.861 -8.234 702 H2' A 106 H2' A 106 7.392 4.817 -8.136 703 HO2' A 106 HO2 A 106 8.874 6.821 -6.862 704 H1' A 106 H1' A 106 7.819 5.061 -5.158 705 H8 A 106 8H A 106 6.947 2.597 -8.054 706 H61 A 106 1H6 A 106 9.101 -1.637 -3.944 707 H62 A 106 2H6 A 106 8.549 -1.456 -5.609 708 H2 A 106 2H A 106 9.144 2.217 -2.013 709 H5' G 107 H5' G 107 7.609 8.619 -3.805 710 H5'' G 107 H5" G 107 6.865 7.041 -3.540 711 H4' G 107 H4' G 107 5.576 9.376 -2.161 712 H3' G 107 H3' G 107 8.299 8.276 -1.422 713 H2' G 107 H2' G 107 7.727 8.712 0.841 714 HO2' G 107 HO2 G 107 6.801 10.882 0.313 715 H1' G 107 H1' G 107 4.963 8.150 0.455 716 H8 G 107 8H G 107 4.549 6.330 2.052 717 H1 G 107 1H G 107 10.499 3.941 1.569 718 H21 G 107 1H2 G 107 11.595 5.038 -0.052 719 H22 G 107 2H2 G 107 10.764 6.246 -1.021 720 H5' U 108 H5' U 108 10.941 11.818 0.844 721 H5'' U 108 H5" U 108 11.868 10.523 0.070 722 H4' U 108 H4' U 108 12.105 10.479 2.510 723 H3' U 108 H3' U 108 11.324 8.186 0.951 724 HO3' U 108 H3T U 108 13.311 8.292 2.045 725 H2' U 108 H2' U 108 9.300 7.931 2.039 726 HO2' U 108 HO2 U 108 11.336 6.685 3.346 727 H1' U 108 H1' U 108 10.527 9.149 4.530 728 H3 U 108 3H U 108 6.555 11.112 6.203 729 H5 U 108 5H U 108 5.655 7.359 4.605 730 H6 U 108 6H U 108 7.847 7.288 3.588 Start of MODEL 17 1 H CYS 20 1H CYS 20 10.098 -5.803 5.530 2 HA CYS 20 HA CYS 20 8.076 -6.674 6.500 3 HB2 CYS 20 1HB CYS 20 7.103 -5.569 8.494 4 HB3 CYS 20 2HB CYS 20 8.583 -6.458 8.841 5 HG CYS 20 HG CYS 20 8.435 -4.209 10.253 6 H LYS 21 H LYS 21 9.218 -3.697 5.155 7 HA LYS 21 HA LYS 21 6.453 -2.689 4.837 8 HB2 LYS 21 1HB LYS 21 8.242 -1.184 5.629 9 HB3 LYS 21 2HB LYS 21 9.081 -1.372 4.081 10 HG2 LYS 21 1HG LYS 21 7.278 -0.302 2.881 11 HG3 LYS 21 2HG LYS 21 6.179 -0.451 4.255 12 HD2 LYS 21 1HD LYS 21 7.586 1.147 5.547 13 HD3 LYS 21 2HD LYS 21 8.642 1.339 4.132 14 HE2 LYS 21 1HE LYS 21 6.820 2.220 2.801 15 HE3 LYS 21 2HE LYS 21 5.624 1.816 4.049 16 HZ1 LYS 21 3HZ LYS 21 6.415 4.197 3.904 17 HZ2 LYS 21 1HZ LYS 21 6.389 3.533 5.410 18 HZ3 LYS 21 2HZ LYS 21 7.815 3.710 4.577 19 H MET 22 H MET 22 5.426 -2.362 2.967 20 HA MET 22 HA MET 22 6.472 -3.556 0.446 21 HB2 MET 22 1HB MET 22 3.784 -4.117 1.776 22 HB3 MET 22 2HB MET 22 4.260 -4.645 0.161 23 HG2 MET 22 1HG MET 22 6.220 -5.864 1.230 24 HG3 MET 22 2HG MET 22 5.532 -5.447 2.795 25 HE1 MET 22 3HE MET 22 4.109 -8.575 -0.230 26 HE2 MET 22 1HE MET 22 4.059 -6.863 -0.699 27 HE3 MET 22 2HE MET 22 5.602 -7.619 -0.229 28 H PHE 23 H PHE 23 5.850 -2.653 -1.356 29 HA PHE 23 HA PHE 23 4.234 -0.157 -1.447 30 HB2 PHE 23 1HB PHE 23 6.279 -0.062 -2.691 31 HB3 PHE 23 2HB PHE 23 6.044 -1.666 -3.373 32 HD1 PHE 23 2HD PHE 23 4.400 -2.047 -5.216 33 HD2 PHE 23 1HD PHE 23 5.165 1.893 -3.657 34 HE1 PHE 23 2HE PHE 23 3.362 -1.062 -7.230 35 HE2 PHE 23 1HE PHE 23 4.121 2.864 -5.664 36 HZ PHE 23 HZ PHE 23 3.219 1.416 -7.467 37 H ILE 24 H ILE 24 2.229 -0.140 -2.433 38 HA ILE 24 HA ILE 24 1.061 -2.790 -3.252 39 HB ILE 24 HB ILE 24 -0.494 -0.570 -1.902 40 HG12 ILE 24 1HG1 ILE 24 1.138 -1.139 -0.221 41 HG13 ILE 24 2HG1 ILE 24 -0.463 -1.688 0.209 42 HG21 ILE 24 1HG2 ILE 24 -1.728 -2.229 -3.229 43 HG22 ILE 24 2HG2 ILE 24 -1.020 -3.548 -2.287 44 HG23 ILE 24 3HG2 ILE 24 -2.102 -2.380 -1.504 45 HD11 ILE 24 3HD1 ILE 24 1.361 -3.277 0.820 46 HD12 ILE 24 1HD1 ILE 24 0.117 -3.997 -0.205 47 HD13 ILE 24 2HD1 ILE 24 1.688 -3.543 -0.895 48 H GLY 25 H GLY 25 1.058 -2.619 -5.460 49 HA2 GLY 25 1HA GLY 25 0.204 -0.094 -6.785 50 HA3 GLY 25 2HA GLY 25 0.923 -1.527 -7.545 51 H GLY 26 H GLY 26 -1.243 -0.243 -8.661 52 HA2 GLY 26 1HA GLY 26 -3.056 -0.975 -9.895 53 HA3 GLY 26 2HA GLY 26 -2.959 -2.551 -9.078 54 H LEU 27 H LEU 27 -3.295 0.158 -6.959 55 HA LEU 27 HA LEU 27 -5.758 -0.813 -5.838 56 HB2 LEU 27 1HB LEU 27 -4.381 1.892 -5.529 57 HB3 LEU 27 2HB LEU 27 -5.687 1.298 -4.527 58 HG LEU 27 HG LEU 27 -2.871 0.144 -4.647 59 HD11 LEU 27 1HD1 LEU 27 -3.200 2.319 -3.442 60 HD12 LEU 27 2HD1 LEU 27 -4.422 1.558 -2.428 61 HD13 LEU 27 3HD1 LEU 27 -2.735 0.996 -2.355 62 HD21 LEU 27 3HD2 LEU 27 -3.784 -1.200 -2.628 63 HD22 LEU 27 1HD2 LEU 27 -5.380 -0.913 -3.341 64 HD23 LEU 27 2HD2 LEU 27 -4.113 -1.748 -4.269 65 H SER 28 H SER 28 -7.718 0.473 -5.534 66 HA SER 28 HA SER 28 -8.791 1.484 -8.099 67 HB2 SER 28 1HB SER 28 -10.180 0.006 -6.749 68 HB3 SER 28 2HB SER 28 -10.016 1.069 -5.349 69 HG SER 28 HG SER 28 -11.978 1.360 -6.413 70 H TRP 29 H TRP 29 -9.596 3.583 -8.397 71 HA TRP 29 HA TRP 29 -8.416 5.820 -7.017 72 HB2 TRP 29 1HB TRP 29 -10.693 5.465 -8.972 73 HB3 TRP 29 2HB TRP 29 -10.272 7.039 -8.304 74 HD1 TRP 29 HD TRP 29 -7.084 5.335 -8.855 75 HE1 TRP 29 1HE TRP 29 -6.003 6.002 -11.056 76 HE3 TRP 29 3HE TRP 29 -11.143 7.505 -11.099 77 HZ2 TRP 29 2HZ TRP 29 -6.748 7.473 -13.445 78 HZ3 TRP 29 3HZ TRP 29 -10.937 8.490 -13.366 79 HH2 TRP 29 HH TRP 29 -8.744 8.500 -14.540 80 H GLN 30 H GLN 30 -10.842 3.730 -5.942 81 HA GLN 30 HA GLN 30 -11.747 5.734 -3.901 82 HB2 GLN 30 1HB GLN 30 -13.172 3.249 -4.924 83 HB3 GLN 30 2HB GLN 30 -13.739 4.305 -3.623 84 HG2 GLN 30 1HG GLN 30 -13.783 6.228 -5.235 85 HG3 GLN 30 2HG GLN 30 -13.346 5.115 -6.534 86 HE21 GLN 30 2HE2 GLN 30 -15.434 5.989 -7.489 87 HE22 GLN 30 1HE2 GLN 30 -16.918 5.187 -6.999 88 H THR 31 H THR 31 -9.396 3.433 -4.107 89 HA THR 31 HA THR 31 -9.837 2.017 -1.597 90 HB THR 31 HB THR 31 -7.270 2.518 -3.166 91 HG1 THR 31 1HG THR 31 -9.029 0.283 -3.045 92 HG21 THR 31 3HG2 THR 31 -6.540 0.408 -1.951 93 HG22 THR 31 1HG2 THR 31 -6.638 1.843 -0.934 94 HG23 THR 31 2HG2 THR 31 -7.925 0.614 -0.869 95 H THR 32 H THR 32 -9.049 2.478 0.416 96 HA THR 32 HA THR 32 -7.647 5.066 0.912 97 HB THR 32 HB THR 32 -8.876 5.311 2.999 98 HG1 THR 32 1HG THR 32 -10.688 3.864 3.324 99 HG21 THR 32 3HG2 THR 32 -11.069 5.901 2.176 100 HG22 THR 32 1HG2 THR 32 -9.881 6.293 0.921 101 HG23 THR 32 2HG2 THR 32 -10.895 4.842 0.762 102 H GLN 33 H GLN 33 -6.387 5.055 2.924 103 HA GLN 33 HA GLN 33 -4.747 2.701 3.168 104 HB2 GLN 33 1HB GLN 33 -3.718 3.935 5.098 105 HB3 GLN 33 2HB GLN 33 -3.704 4.778 3.551 106 HG2 GLN 33 1HG GLN 33 -5.514 6.233 4.216 107 HG3 GLN 33 2HG GLN 33 -5.768 5.329 5.719 108 HE21 GLN 33 2HE2 GLN 33 -3.694 7.728 4.089 109 HE22 GLN 33 1HE2 GLN 33 -2.789 8.131 5.537 110 H GLU 34 H GLU 34 -7.593 3.737 4.999 111 HA GLU 34 HA GLU 34 -7.339 1.690 7.051 112 HB2 GLU 34 1HB GLU 34 -9.762 3.213 6.005 113 HB3 GLU 34 2HB GLU 34 -9.773 2.113 7.391 114 HG2 GLU 34 1HG GLU 34 -8.072 3.531 8.530 115 HG3 GLU 34 2HG GLU 34 -8.115 4.665 7.177 116 H GLY 35 H GLY 35 -8.799 1.849 3.787 117 HA2 GLY 35 1HA GLY 35 -9.986 -0.772 3.771 118 HA3 GLY 35 2HA GLY 35 -9.539 0.212 2.357 119 H LEU 36 H LEU 36 -6.685 0.402 2.952 120 HA LEU 36 HA LEU 36 -5.705 -2.159 2.115 121 HB2 LEU 36 1HB LEU 36 -4.113 0.035 3.542 122 HB3 LEU 36 2HB LEU 36 -3.460 -1.330 2.664 123 HG LEU 36 HG LEU 36 -4.874 1.079 1.503 124 HD11 LEU 36 1HD1 LEU 36 -2.461 1.274 2.089 125 HD12 LEU 36 2HD1 LEU 36 -2.111 -0.105 1.024 126 HD13 LEU 36 3HD1 LEU 36 -2.751 1.399 0.342 127 HD21 LEU 36 3HD2 LEU 36 -4.497 0.019 -0.717 128 HD22 LEU 36 1HD2 LEU 36 -4.093 -1.506 0.098 129 HD23 LEU 36 2HD2 LEU 36 -5.722 -0.793 0.253 130 H ARG 37 H ARG 37 -5.616 -0.689 5.429 131 HA ARG 37 HA ARG 37 -4.551 -3.021 6.661 132 HB2 ARG 37 1HB ARG 37 -4.713 -0.848 7.793 133 HB3 ARG 37 2HB ARG 37 -6.480 -0.943 7.794 134 HG2 ARG 37 1HG ARG 37 -6.420 -2.920 9.272 135 HG3 ARG 37 2HG ARG 37 -4.651 -2.953 9.184 136 HD2 ARG 37 1HD ARG 37 -4.668 -0.624 10.164 137 HD3 ARG 37 2HD ARG 37 -6.422 -0.778 10.345 138 HE ARG 37 HE ARG 37 -4.679 -2.850 11.622 139 HH11 ARG 37 1HH1 ARG 37 -6.635 0.062 12.185 140 HH12 ARG 37 2HH1 ARG 37 -6.870 -0.326 13.863 141 HH21 ARG 37 1HH2 ARG 37 -5.119 -3.332 13.741 142 HH22 ARG 37 2HH2 ARG 37 -5.995 -2.198 14.742 143 H GLU 38 H GLU 38 -7.932 -2.202 5.939 144 HA GLU 38 HA GLU 38 -9.182 -4.359 7.184 145 HB2 GLU 38 1HB GLU 38 -10.064 -2.237 5.739 146 HB3 GLU 38 2HB GLU 38 -10.270 -3.491 4.514 147 HG2 GLU 38 1HG GLU 38 -11.554 -4.825 6.220 148 HG3 GLU 38 2HG GLU 38 -11.341 -3.484 7.356 149 H TYR 39 H TYR 39 -7.540 -4.320 4.031 150 HA TYR 39 HA TYR 39 -8.269 -7.110 3.413 151 HB2 TYR 39 1HB TYR 39 -8.172 -5.360 1.684 152 HB3 TYR 39 2HB TYR 39 -6.457 -5.120 1.998 153 HD1 TYR 39 2HD TYR 39 -8.957 -7.756 1.057 154 HD2 TYR 39 1HD TYR 39 -4.853 -6.452 0.840 155 HE1 TYR 39 2HE TYR 39 -8.426 -9.693 -0.397 156 HE2 TYR 39 1HE TYR 39 -4.317 -8.371 -0.633 157 HH TYR 39 HH TYR 39 -6.803 -10.833 -1.523 158 H PHE 40 H PHE 40 -5.320 -5.298 4.325 159 HA PHE 40 HA PHE 40 -3.662 -7.647 4.111 160 HB2 PHE 40 1HB PHE 40 -3.163 -4.774 4.853 161 HB3 PHE 40 2HB PHE 40 -1.908 -5.965 5.041 162 HD1 PHE 40 2HD PHE 40 -1.702 -7.665 2.868 163 HD2 PHE 40 1HD PHE 40 -3.233 -3.640 2.765 164 HE1 PHE 40 2HE PHE 40 -1.313 -7.576 0.424 165 HE2 PHE 40 1HE PHE 40 -2.866 -3.562 0.325 166 HZ PHE 40 HZ PHE 40 -1.910 -5.525 -0.857 167 H GLY 41 H GLY 41 -5.418 -6.289 6.787 168 HA2 GLY 41 1HA GLY 41 -4.030 -7.529 8.947 169 HA3 GLY 41 2HA GLY 41 -5.738 -7.064 8.919 170 H GLN 42 H GLN 42 -5.748 -9.062 6.410 171 HA GLN 42 HA GLN 42 -6.578 -11.488 7.794 172 HB2 GLN 42 1HB GLN 42 -5.883 -11.012 4.860 173 HB3 GLN 42 2HB GLN 42 -6.741 -12.408 5.514 174 HG2 GLN 42 1HG GLN 42 -8.607 -10.926 6.235 175 HG3 GLN 42 2HG GLN 42 -7.758 -9.536 5.547 176 HE21 GLN 42 2HE2 GLN 42 -7.243 -9.646 3.158 177 HE22 GLN 42 1HE2 GLN 42 -8.401 -10.484 2.125 178 H PHE 43 H PHE 43 -3.544 -10.300 6.477 179 HA PHE 43 HA PHE 43 -2.268 -12.982 6.577 180 HB2 PHE 43 1HB PHE 43 -1.217 -10.347 5.485 181 HB3 PHE 43 2HB PHE 43 -0.513 -11.931 5.258 182 HD1 PHE 43 1HD PHE 43 -1.582 -13.579 3.698 183 HD2 PHE 43 2HD PHE 43 -3.189 -9.638 4.222 184 HE1 PHE 43 1HE PHE 43 -2.897 -13.847 1.619 185 HE2 PHE 43 2HE PHE 43 -4.514 -9.887 2.138 186 HZ PHE 43 HZ PHE 43 -4.367 -12.005 0.830 187 H GLY 44 H GLY 44 -2.153 -9.822 8.109 188 HA2 GLY 44 1HA GLY 44 -1.163 -10.628 10.600 189 HA3 GLY 44 2HA GLY 44 0.239 -10.092 9.684 190 H GLU 45 H GLU 45 -0.787 -8.744 12.048 191 HA GLU 45 HA GLU 45 -2.405 -6.488 11.307 192 HB2 GLU 45 1HB GLU 45 -2.211 -7.320 13.624 193 HB3 GLU 45 2HB GLU 45 -0.516 -6.836 13.666 194 HG2 GLU 45 1HG GLU 45 -1.978 -5.243 14.826 195 HG3 GLU 45 2HG GLU 45 -1.130 -4.478 13.493 196 H VAL 46 H VAL 46 -1.814 -4.295 11.020 197 HA VAL 46 HA VAL 46 0.825 -4.023 9.690 198 HB VAL 46 HB VAL 46 -0.064 -2.419 8.268 199 HG11 VAL 46 1HG1 VAL 46 -0.520 -4.795 7.682 200 HG12 VAL 46 2HG1 VAL 46 -2.132 -4.654 8.426 201 HG13 VAL 46 3HG1 VAL 46 -1.723 -3.684 7.006 202 HG21 VAL 46 3HG2 VAL 46 -2.473 -1.764 8.240 203 HG22 VAL 46 1HG2 VAL 46 -2.603 -2.450 9.882 204 HG23 VAL 46 2HG2 VAL 46 -1.523 -1.075 9.559 205 H LYS 47 H LYS 47 2.227 -2.619 10.235 206 HA LYS 47 HA LYS 47 2.048 -1.063 12.724 207 HB2 LYS 47 1HB LYS 47 3.951 -2.582 12.052 208 HB3 LYS 47 2HB LYS 47 4.321 -1.494 10.716 209 HG2 LYS 47 1HG LYS 47 4.895 0.303 12.249 210 HG3 LYS 47 2HG LYS 47 4.236 -0.607 13.617 211 HD2 LYS 47 1HD LYS 47 6.004 -2.368 13.234 212 HD3 LYS 47 2HD LYS 47 6.707 -1.319 11.979 213 HE2 LYS 47 1HE LYS 47 6.966 0.495 13.679 214 HE3 LYS 47 2HE LYS 47 6.253 -0.560 14.907 215 HZ1 LYS 47 3HZ LYS 47 8.676 -0.585 15.013 216 HZ2 LYS 47 1HZ LYS 47 8.138 -2.071 14.608 217 HZ3 LYS 47 2HZ LYS 47 8.795 -1.098 13.467 218 H GLU 48 H GLU 48 1.865 -0.498 9.292 219 HA GLU 48 HA GLU 48 1.210 2.323 9.588 220 HB2 GLU 48 1HB GLU 48 3.702 2.385 9.613 221 HB3 GLU 48 2HB GLU 48 3.733 1.502 8.088 222 HG2 GLU 48 1HG GLU 48 2.688 3.370 6.917 223 HG3 GLU 48 2HG GLU 48 2.478 4.244 8.441 224 H CYS 49 H CYS 49 0.125 3.079 7.726 225 HA CYS 49 HA CYS 49 0.041 1.500 5.282 226 HB2 CYS 49 1HB CYS 49 -2.449 1.255 5.315 227 HB3 CYS 49 2HB CYS 49 -1.616 0.280 6.529 228 HG CYS 49 HG CYS 49 -1.966 1.943 8.535 229 H LEU 50 H LEU 50 -0.482 2.709 3.514 230 HA LEU 50 HA LEU 50 -1.182 5.593 3.800 231 HB2 LEU 50 1HB LEU 50 1.324 4.418 2.526 232 HB3 LEU 50 2HB LEU 50 0.796 6.066 2.272 233 HG LEU 50 HG LEU 50 1.691 4.945 4.952 234 HD11 LEU 50 1HD1 LEU 50 3.514 5.078 3.277 235 HD12 LEU 50 2HD1 LEU 50 3.110 6.774 2.943 236 HD13 LEU 50 3HD1 LEU 50 3.719 6.292 4.544 237 HD21 LEU 50 3HD2 LEU 50 1.741 7.335 5.637 238 HD22 LEU 50 1HD2 LEU 50 1.052 7.805 4.069 239 HD23 LEU 50 2HD2 LEU 50 0.098 6.838 5.215 240 H VAL 51 H VAL 51 -1.855 6.554 1.890 241 HA VAL 51 HA VAL 51 -1.878 5.068 -0.659 242 HB VAL 51 HB VAL 51 -4.388 6.261 0.603 243 HG11 VAL 51 1HG1 VAL 51 -4.309 7.035 -1.717 244 HG12 VAL 51 2HG1 VAL 51 -3.941 5.387 -2.285 245 HG13 VAL 51 3HG1 VAL 51 -5.520 5.768 -1.558 246 HG21 VAL 51 3HG2 VAL 51 -5.361 4.027 0.063 247 HG22 VAL 51 1HG2 VAL 51 -3.766 3.479 -0.485 248 HG23 VAL 51 2HG2 VAL 51 -4.028 3.925 1.218 249 H MET 52 H MET 52 -1.173 6.400 -2.214 250 HA MET 52 HA MET 52 -0.348 9.104 -1.360 251 HB2 MET 52 1HB MET 52 0.411 7.328 -3.702 252 HB3 MET 52 2HB MET 52 1.085 8.945 -3.409 253 HG2 MET 52 1HG MET 52 1.277 6.706 -1.374 254 HG3 MET 52 2HG MET 52 2.497 7.053 -2.573 255 HE1 MET 52 3HE MET 52 2.157 8.860 1.443 256 HE2 MET 52 1HE MET 52 0.716 8.244 0.595 257 HE3 MET 52 2HE MET 52 2.134 7.186 0.828 258 H ARG 53 H ARG 53 -2.962 9.297 -1.569 259 HA ARG 53 HA ARG 53 -3.819 9.934 -4.236 260 HB2 ARG 53 1HB ARG 53 -5.985 10.358 -3.362 261 HB3 ARG 53 2HB ARG 53 -5.335 8.945 -2.539 262 HG2 ARG 53 1HG ARG 53 -4.752 10.442 -0.579 263 HG3 ARG 53 2HG ARG 53 -5.591 11.762 -1.435 264 HD2 ARG 53 1HD ARG 53 -7.668 10.439 -1.477 265 HD3 ARG 53 2HD ARG 53 -6.849 9.111 -0.626 266 HE ARG 53 HE ARG 53 -6.503 11.445 0.924 267 HH11 ARG 53 1HH1 ARG 53 -9.217 9.387 -0.038 268 HH12 ARG 53 2HH1 ARG 53 -10.132 9.776 1.388 269 HH21 ARG 53 1HH2 ARG 53 -7.737 11.900 2.737 270 HH22 ARG 53 2HH2 ARG 53 -9.303 11.175 2.936 271 H ASP 54 H ASP 54 -4.441 11.844 -5.152 272 HA ASP 54 HA ASP 54 -2.987 14.262 -4.386 273 HB2 ASP 54 1HB ASP 54 -3.257 13.504 -6.726 274 HB3 ASP 54 2HB ASP 54 -5.004 13.693 -6.590 275 HA PRO 55 HA PRO 55 -6.495 15.534 -1.914 276 HB2 PRO 55 1HB PRO 55 -5.688 17.974 -1.002 277 HB3 PRO 55 2HB PRO 55 -4.855 16.458 -0.536 278 HG2 PRO 55 1HG PRO 55 -4.086 18.398 -2.748 279 HG3 PRO 55 2HG PRO 55 -3.040 17.738 -1.449 280 HD2 PRO 55 1HD PRO 55 -3.128 16.630 -3.947 281 HD3 PRO 55 2HD PRO 55 -2.928 15.623 -2.479 282 H LEU 56 H LEU 56 -5.726 17.193 -4.893 283 HA LEU 56 HA LEU 56 -8.046 19.027 -4.709 284 HB2 LEU 56 1HB LEU 56 -5.946 18.624 -6.881 285 HB3 LEU 56 2HB LEU 56 -7.140 19.896 -6.793 286 HG LEU 56 HG LEU 56 -4.794 19.513 -4.882 287 HD11 LEU 56 1HD1 LEU 56 -4.168 20.318 -7.128 288 HD12 LEU 56 2HD1 LEU 56 -5.344 21.644 -6.991 289 HD13 LEU 56 3HD1 LEU 56 -3.940 21.579 -5.904 290 HD21 LEU 56 3HD2 LEU 56 -5.437 21.738 -3.955 291 HD22 LEU 56 1HD2 LEU 56 -6.925 21.700 -4.926 292 HD23 LEU 56 2HD2 LEU 56 -6.661 20.507 -3.632 293 H THR 57 H THR 57 -6.830 16.245 -6.628 294 HA THR 57 HA THR 57 -9.439 16.092 -8.080 295 HB THR 57 HB THR 57 -8.268 14.775 -9.722 296 HG1 THR 57 1HG THR 57 -6.000 14.438 -9.433 297 HG21 THR 57 3HG2 THR 57 -6.720 16.394 -10.615 298 HG22 THR 57 1HG2 THR 57 -8.066 17.269 -9.865 299 HG23 THR 57 2HG2 THR 57 -6.499 17.157 -9.028 300 H LYS 58 H LYS 58 -7.910 14.633 -5.493 301 HA LYS 58 HA LYS 58 -8.354 12.913 -4.138 302 HB2 LYS 58 1HB LYS 58 -11.012 13.000 -5.619 303 HB3 LYS 58 2HB LYS 58 -10.696 11.850 -4.337 304 HG2 LYS 58 1HG LYS 58 -11.898 13.756 -3.488 305 HG3 LYS 58 2HG LYS 58 -10.325 13.599 -2.707 306 HD2 LYS 58 1HD LYS 58 -9.438 15.481 -3.935 307 HD3 LYS 58 2HD LYS 58 -10.876 15.547 -4.985 308 HE2 LYS 58 1HE LYS 58 -12.279 16.155 -3.072 309 HE3 LYS 58 2HE LYS 58 -10.914 15.962 -1.962 310 HZ1 LYS 58 3HZ LYS 58 -11.303 18.295 -2.585 311 HZ2 LYS 58 1HZ LYS 58 -9.810 17.797 -3.030 312 HZ3 LYS 58 2HZ LYS 58 -10.995 17.957 -4.158 313 H ARG 59 H ARG 59 -7.606 12.355 -7.265 314 HA ARG 59 HA ARG 59 -7.949 9.514 -7.590 315 HB2 ARG 59 1HB ARG 59 -5.718 11.285 -8.679 316 HB3 ARG 59 2HB ARG 59 -6.150 9.672 -9.236 317 HG2 ARG 59 1HG ARG 59 -7.746 12.223 -9.542 318 HG3 ARG 59 2HG ARG 59 -7.036 11.191 -10.793 319 HD2 ARG 59 1HD ARG 59 -8.645 9.369 -9.983 320 HD3 ARG 59 2HD ARG 59 -9.478 10.625 -9.065 321 HE ARG 59 HE ARG 59 -9.485 10.177 -11.948 322 HH11 ARG 59 1HH1 ARG 59 -10.174 12.694 -9.504 323 HH12 ARG 59 2HH1 ARG 59 -11.235 13.531 -10.592 324 HH21 ARG 59 1HH2 ARG 59 -10.822 11.365 -13.264 325 HH22 ARG 59 2HH2 ARG 59 -11.582 12.811 -12.677 326 H SER 60 H SER 60 -6.864 7.847 -6.918 327 HA SER 60 HA SER 60 -5.082 8.119 -4.592 328 HB2 SER 60 1HB SER 60 -5.334 5.711 -4.425 329 HB3 SER 60 2HB SER 60 -6.920 6.439 -4.735 330 HG SER 60 HG SER 60 -6.613 4.658 -6.081 331 H ARG 61 H ARG 61 -4.433 8.262 -7.828 332 HA ARG 61 HA ARG 61 -2.707 7.837 -9.243 333 HB2 ARG 61 1HB ARG 61 -1.159 7.713 -6.629 334 HB3 ARG 61 2HB ARG 61 -0.396 7.296 -8.137 335 HG2 ARG 61 1HG ARG 61 -1.877 9.894 -8.091 336 HG3 ARG 61 2HG ARG 61 -0.399 9.785 -7.133 337 HD2 ARG 61 1HD ARG 61 -0.556 9.103 -10.102 338 HD3 ARG 61 2HD ARG 61 -0.032 10.644 -9.431 339 HE ARG 61 HE ARG 61 1.918 9.672 -8.502 340 HH11 ARG 61 1HH1 ARG 61 0.284 7.306 -10.644 341 HH12 ARG 61 2HH1 ARG 61 1.790 6.406 -10.793 342 HH21 ARG 61 1HH2 ARG 61 3.734 8.286 -8.777 343 HH22 ARG 61 2HH2 ARG 61 3.534 6.938 -9.891 344 H GLY 62 H GLY 62 -4.214 5.511 -7.549 345 HA2 GLY 62 1HA GLY 62 -4.499 3.272 -7.821 346 HA3 GLY 62 2HA GLY 62 -3.358 3.293 -9.178 347 H PHE 63 H PHE 63 -2.246 4.487 -6.005 348 HA PHE 63 HA PHE 63 -1.225 1.881 -5.245 349 HB2 PHE 63 1HB PHE 63 1.035 2.114 -5.624 350 HB3 PHE 63 2HB PHE 63 0.362 2.766 -7.093 351 HD1 PHE 63 2HD PHE 63 0.327 5.308 -7.399 352 HD2 PHE 63 1HD PHE 63 2.338 3.407 -4.103 353 HE1 PHE 63 2HE PHE 63 1.550 7.438 -6.907 354 HE2 PHE 63 1HE PHE 63 3.628 5.477 -3.699 355 HZ PHE 63 HZ PHE 63 3.199 7.502 -5.040 356 H GLY 64 H GLY 64 0.042 1.788 -3.372 357 HA2 GLY 64 1HA GLY 64 0.343 4.096 -1.582 358 HA3 GLY 64 2HA GLY 64 -0.836 2.911 -1.051 359 H PHE 65 H PHE 65 0.483 2.569 0.786 360 HA PHE 65 HA PHE 65 2.624 0.553 0.420 361 HB2 PHE 65 1HB PHE 65 2.998 3.224 1.818 362 HB3 PHE 65 2HB PHE 65 3.953 1.827 2.232 363 HD1 PHE 65 1HD PHE 65 3.286 4.336 -0.443 364 HD2 PHE 65 2HD PHE 65 5.725 1.005 0.845 365 HE1 PHE 65 1HE PHE 65 4.998 4.921 -2.117 366 HE2 PHE 65 2HE PHE 65 7.434 1.617 -0.838 367 HZ PHE 65 HZ PHE 65 7.074 3.599 -2.314 368 H VAL 66 H VAL 66 2.949 -0.769 2.216 369 HA VAL 66 HA VAL 66 1.424 -0.268 4.715 370 HB VAL 66 HB VAL 66 1.142 -2.822 3.076 371 HG11 VAL 66 1HG1 VAL 66 1.413 -3.492 5.429 372 HG12 VAL 66 2HG1 VAL 66 0.195 -2.291 5.921 373 HG13 VAL 66 3HG1 VAL 66 -0.264 -3.692 4.931 374 HG21 VAL 66 3HG2 VAL 66 -1.295 -2.365 3.278 375 HG22 VAL 66 1HG2 VAL 66 -0.939 -0.840 4.114 376 HG23 VAL 66 2HG2 VAL 66 -0.459 -1.074 2.419 377 H THR 67 H THR 67 2.543 -0.836 6.485 378 HA THR 67 HA THR 67 4.969 -2.596 6.244 379 HB THR 67 HB THR 67 4.462 -0.562 8.451 380 HG1 THR 67 1HG THR 67 5.891 0.755 7.322 381 HG21 THR 67 3HG2 THR 67 6.897 -0.831 8.823 382 HG22 THR 67 1HG2 THR 67 6.043 -2.364 9.028 383 HG23 THR 67 2HG2 THR 67 6.961 -2.057 7.539 384 H PHE 68 H PHE 68 4.903 -4.439 7.400 385 HA PHE 68 HA PHE 68 2.507 -4.983 9.061 386 HB2 PHE 68 1HB PHE 68 4.686 -6.723 7.891 387 HB3 PHE 68 2HB PHE 68 3.490 -7.311 9.037 388 HD1 PHE 68 1HD PHE 68 3.869 -5.843 5.618 389 HD2 PHE 68 2HD PHE 68 1.231 -7.770 8.431 390 HE1 PHE 68 1HE PHE 68 2.226 -6.248 3.802 391 HE2 PHE 68 2HE PHE 68 -0.403 -8.180 6.614 392 HZ PHE 68 HZ PHE 68 0.093 -7.424 4.299 393 H MET 69 H MET 69 2.582 -5.770 11.176 394 HA MET 69 HA MET 69 4.759 -4.859 12.907 395 HB2 MET 69 1HB MET 69 2.303 -6.588 13.466 396 HB3 MET 69 2HB MET 69 3.439 -5.990 14.684 397 HG2 MET 69 1HG MET 69 2.963 -3.646 13.752 398 HG3 MET 69 2HG MET 69 1.556 -4.368 12.955 399 HE1 MET 69 3HE MET 69 0.415 -2.140 16.090 400 HE2 MET 69 1HE MET 69 1.936 -1.932 15.198 401 HE3 MET 69 2HE MET 69 0.418 -2.247 14.319 402 H ASP 70 H ASP 70 4.435 -7.572 10.971 403 HA ASP 70 HA ASP 70 6.778 -8.888 12.114 404 HB2 ASP 70 1HB ASP 70 5.692 -11.073 12.358 405 HB3 ASP 70 2HB ASP 70 5.053 -9.892 13.486 406 H GLN 71 H GLN 71 7.904 -10.118 10.647 407 HA GLN 71 HA GLN 71 7.425 -9.602 7.859 408 HB2 GLN 71 1HB GLN 71 9.647 -9.895 9.029 409 HB3 GLN 71 2HB GLN 71 9.307 -11.613 9.165 410 HG2 GLN 71 1HG GLN 71 10.806 -11.215 7.297 411 HG3 GLN 71 2HG GLN 71 9.277 -11.834 6.701 412 HE21 GLN 71 2HE2 GLN 71 10.169 -10.925 4.602 413 HE22 GLN 71 1HE2 GLN 71 9.882 -9.222 4.283 414 H ALA 72 H ALA 72 6.450 -12.222 9.953 415 HA ALA 72 HA ALA 72 5.982 -14.243 7.998 416 HB1 ALA 72 1HB ALA 72 6.050 -14.619 10.457 417 HB2 ALA 72 2HB ALA 72 4.512 -13.729 10.615 418 HB3 ALA 72 3HB ALA 72 4.567 -15.256 9.715 419 H GLY 73 H GLY 73 4.077 -11.330 8.633 420 HA2 GLY 73 1HA GLY 73 1.800 -12.300 7.010 421 HA3 GLY 73 2HA GLY 73 2.043 -10.664 7.659 422 H VAL 74 H VAL 74 4.726 -10.392 6.493 423 HA VAL 74 HA VAL 74 4.121 -9.555 3.781 424 HB VAL 74 HB VAL 74 6.785 -9.965 5.193 425 HG11 VAL 74 1HG1 VAL 74 7.297 -10.298 2.885 426 HG12 VAL 74 2HG1 VAL 74 6.283 -8.933 2.382 427 HG13 VAL 74 3HG1 VAL 74 7.780 -8.653 3.292 428 HG21 VAL 74 3HG2 VAL 74 6.866 -7.498 5.130 429 HG22 VAL 74 1HG2 VAL 74 5.237 -7.466 4.440 430 HG23 VAL 74 2HG2 VAL 74 5.502 -8.101 6.080 431 H ASP 75 H ASP 75 5.836 -12.398 5.186 432 HA ASP 75 HA ASP 75 6.522 -13.802 2.907 433 HB2 ASP 75 1HB ASP 75 6.964 -14.408 5.322 434 HB3 ASP 75 2HB ASP 75 5.316 -14.992 5.442 435 H LYS 76 H LYS 76 3.314 -13.982 4.539 436 HA LYS 76 HA LYS 76 2.134 -15.794 2.668 437 HB2 LYS 76 1HB LYS 76 0.817 -13.687 4.425 438 HB3 LYS 76 2HB LYS 76 -0.001 -15.048 3.622 439 HG2 LYS 76 1HG LYS 76 1.247 -16.656 4.984 440 HG3 LYS 76 2HG LYS 76 2.117 -15.332 5.769 441 HD2 LYS 76 1HD LYS 76 -0.269 -14.388 6.354 442 HD3 LYS 76 2HD LYS 76 -0.862 -15.973 5.857 443 HE2 LYS 76 1HE LYS 76 -0.655 -16.190 8.164 444 HE3 LYS 76 2HE LYS 76 0.830 -16.943 7.560 445 HZ1 LYS 76 3HZ LYS 76 1.271 -15.403 9.397 446 HZ2 LYS 76 1HZ LYS 76 1.977 -14.833 8.027 447 HZ3 LYS 76 2HZ LYS 76 0.586 -14.155 8.579 448 H VAL 77 H VAL 77 2.348 -12.248 2.602 449 HA VAL 77 HA VAL 77 0.462 -11.935 0.416 450 HB VAL 77 HB VAL 77 2.552 -10.017 1.496 451 HG11 VAL 77 1HG1 VAL 77 2.036 -9.333 -0.821 452 HG12 VAL 77 2HG1 VAL 77 0.296 -9.439 -0.474 453 HG13 VAL 77 3HG1 VAL 77 1.303 -8.219 0.332 454 HG21 VAL 77 3HG2 VAL 77 0.615 -8.910 2.546 455 HG22 VAL 77 1HG2 VAL 77 -0.502 -10.063 1.783 456 HG23 VAL 77 2HG2 VAL 77 0.617 -10.608 3.034 457 H LEU 78 H LEU 78 4.006 -12.417 0.556 458 HA LEU 78 HA LEU 78 4.391 -12.085 -2.321 459 HB2 LEU 78 1HB LEU 78 6.049 -13.541 -0.230 460 HB3 LEU 78 2HB LEU 78 6.608 -13.038 -1.823 461 HG LEU 78 HG LEU 78 5.676 -11.072 0.322 462 HD11 LEU 78 1HD1 LEU 78 7.505 -12.407 1.132 463 HD12 LEU 78 2HD1 LEU 78 8.435 -12.149 -0.361 464 HD13 LEU 78 3HD1 LEU 78 8.119 -10.779 0.736 465 HD21 LEU 78 3HD2 LEU 78 6.933 -9.423 -1.006 466 HD22 LEU 78 1HD2 LEU 78 7.249 -10.655 -2.251 467 HD23 LEU 78 2HD2 LEU 78 5.583 -10.113 -1.913 468 H ALA 79 H ALA 79 3.912 -14.847 -0.134 469 HA ALA 79 HA ALA 79 4.354 -16.859 -2.063 470 HB1 ALA 79 1HB ALA 79 4.542 -17.179 0.372 471 HB2 ALA 79 2HB ALA 79 2.783 -16.960 0.550 472 HB3 ALA 79 3HB ALA 79 3.426 -18.364 -0.328 473 H GLN 80 H GLN 80 1.501 -14.924 -1.686 474 HA GLN 80 HA GLN 80 -0.274 -16.908 -2.989 475 HB2 GLN 80 1HB GLN 80 -1.039 -15.692 -0.993 476 HB3 GLN 80 2HB GLN 80 -0.838 -14.150 -1.831 477 HG2 GLN 80 1HG GLN 80 -2.565 -14.767 -3.459 478 HG3 GLN 80 2HG GLN 80 -2.689 -16.390 -2.778 479 HE21 GLN 80 2HE2 GLN 80 -4.291 -13.485 -2.846 480 HE22 GLN 80 1HE2 GLN 80 -5.128 -13.637 -1.298 481 H SER 81 H SER 81 -0.971 -16.775 -5.086 482 HA SER 81 HA SER 81 0.662 -15.273 -6.878 483 HB2 SER 81 1HB SER 81 -1.771 -16.973 -7.506 484 HB3 SER 81 2HB SER 81 -0.449 -16.548 -8.605 485 HG SER 81 HG SER 81 -0.191 -18.664 -7.727 486 H ARG 82 H ARG 82 -2.273 -14.235 -5.496 487 HA ARG 82 HA ARG 82 -2.517 -11.953 -7.266 488 HB2 ARG 82 1HB ARG 82 -3.659 -13.657 -8.653 489 HB3 ARG 82 2HB ARG 82 -4.745 -14.045 -7.312 490 HG2 ARG 82 1HG ARG 82 -5.721 -11.804 -7.398 491 HG3 ARG 82 2HG ARG 82 -4.519 -11.287 -8.595 492 HD2 ARG 82 1HD ARG 82 -5.479 -12.831 -10.242 493 HD3 ARG 82 2HD ARG 82 -6.631 -13.440 -9.048 494 HE ARG 82 HE ARG 82 -6.659 -10.809 -10.411 495 HH11 ARG 82 1HH1 ARG 82 -8.292 -12.792 -7.918 496 HH12 ARG 82 2HH1 ARG 82 -9.585 -11.601 -7.812 497 HH21 ARG 82 1HH2 ARG 82 -8.366 -9.375 -10.044 498 HH22 ARG 82 2HH2 ARG 82 -9.657 -9.885 -8.948 499 H HIS 83 H HIS 83 -3.815 -10.322 -6.427 500 HA HIS 83 HA HIS 83 -5.300 -10.759 -3.894 501 HB2 HIS 83 1HB HIS 83 -3.121 -8.698 -4.406 502 HB3 HIS 83 2HB HIS 83 -4.255 -8.609 -3.056 503 HD1 HIS 83 1HD HIS 83 -3.990 -10.618 -1.177 504 HD2 HIS 83 2HD HIS 83 -1.058 -10.354 -4.177 505 HE1 HIS 83 1HE HIS 83 -2.010 -12.030 -0.379 506 H GLU 84 H GLU 84 -6.926 -9.099 -3.491 507 HA GLU 84 HA GLU 84 -7.668 -7.320 -5.722 508 HB2 GLU 84 1HB GLU 84 -8.495 -9.625 -6.309 509 HB3 GLU 84 2HB GLU 84 -9.473 -9.602 -4.838 510 HG2 GLU 84 1HG GLU 84 -10.591 -7.490 -5.735 511 HG3 GLU 84 2HG GLU 84 -9.699 -7.738 -7.240 512 H LEU 85 H LEU 85 -8.657 -5.563 -5.012 513 HA LEU 85 HA LEU 85 -10.208 -5.494 -2.505 514 HB2 LEU 85 1HB LEU 85 -7.929 -5.128 -1.728 515 HB3 LEU 85 2HB LEU 85 -7.639 -3.939 -3.000 516 HG LEU 85 HG LEU 85 -9.248 -2.384 -1.948 517 HD11 LEU 85 1HD1 LEU 85 -10.816 -3.881 -0.833 518 HD12 LEU 85 2HD1 LEU 85 -9.523 -4.569 0.164 519 HD13 LEU 85 3HD1 LEU 85 -10.032 -2.886 0.403 520 HD21 LEU 85 3HD2 LEU 85 -7.871 -1.848 0.016 521 HD22 LEU 85 1HD2 LEU 85 -7.138 -3.466 -0.028 522 HD23 LEU 85 2HD2 LEU 85 -6.854 -2.319 -1.357 523 H ASP 86 H ASP 86 -11.902 -4.158 -2.729 524 HA ASP 86 HA ASP 86 -13.504 -2.944 -3.725 525 HB2 ASP 86 1HB ASP 86 -11.859 -1.136 -3.142 526 HB3 ASP 86 2HB ASP 86 -11.291 -1.169 -4.809 527 H SER 87 H SER 87 -12.718 -5.232 -5.102 528 HA SER 87 HA SER 87 -13.056 -6.411 -7.009 529 HB2 SER 87 1HB SER 87 -14.525 -3.983 -8.088 530 HB3 SER 87 2HB SER 87 -14.613 -5.646 -8.675 531 HG SER 87 HG SER 87 -15.409 -4.743 -6.084 532 H LYS 88 H LYS 88 -10.667 -4.514 -6.786 533 HA LYS 88 HA LYS 88 -9.801 -4.503 -9.659 534 HB2 LYS 88 1HB LYS 88 -9.512 -2.548 -7.377 535 HB3 LYS 88 2HB LYS 88 -8.144 -2.718 -8.453 536 HG2 LYS 88 1HG LYS 88 -10.896 -2.272 -9.651 537 HG3 LYS 88 2HG LYS 88 -10.024 -0.923 -8.909 538 HD2 LYS 88 1HD LYS 88 -8.076 -1.320 -10.327 539 HD3 LYS 88 2HD LYS 88 -8.890 -2.675 -11.134 540 HE2 LYS 88 1HE LYS 88 -10.518 -1.237 -12.139 541 HE3 LYS 88 2HE LYS 88 -10.130 0.100 -11.059 542 HZ1 LYS 88 3HZ LYS 88 -9.110 0.477 -13.209 543 HZ2 LYS 88 1HZ LYS 88 -7.899 0.190 -12.135 544 HZ3 LYS 88 2HZ LYS 88 -8.358 -0.972 -13.190 545 H THR 89 H THR 89 -8.065 -5.728 -10.135 546 HA THR 89 HA THR 89 -6.753 -7.454 -8.234 547 HB THR 89 HB THR 89 -5.800 -6.635 -11.011 548 HG1 THR 89 1HG THR 89 -7.091 -8.193 -11.783 549 HG21 THR 89 3HG2 THR 89 -4.814 -8.947 -10.969 550 HG22 THR 89 1HG2 THR 89 -4.110 -7.885 -9.742 551 HG23 THR 89 2HG2 THR 89 -5.316 -9.095 -9.266 552 H ILE 90 H ILE 90 -5.179 -6.910 -6.829 553 HA ILE 90 HA ILE 90 -3.559 -4.442 -7.374 554 HB ILE 90 HB ILE 90 -3.214 -4.162 -5.031 555 HG12 ILE 90 1HG1 ILE 90 -4.986 -6.557 -4.494 556 HG13 ILE 90 2HG1 ILE 90 -3.227 -6.470 -4.281 557 HG21 ILE 90 1HG2 ILE 90 -5.254 -3.189 -6.162 558 HG22 ILE 90 2HG2 ILE 90 -6.199 -4.573 -5.576 559 HG23 ILE 90 3HG2 ILE 90 -5.502 -3.443 -4.431 560 HD11 ILE 90 3HD1 ILE 90 -4.149 -6.127 -2.136 561 HD12 ILE 90 1HD1 ILE 90 -3.596 -4.526 -2.696 562 HD13 ILE 90 2HD1 ILE 90 -5.326 -4.946 -2.733 563 H ASP 91 H ASP 91 -1.388 -4.414 -6.756 564 HA ASP 91 HA ASP 91 0.006 -7.057 -7.004 565 HB2 ASP 91 1HB ASP 91 -0.196 -5.928 -9.161 566 HB3 ASP 91 2HB ASP 91 0.532 -4.472 -8.484 567 HA PRO 92 HA PRO 92 1.933 -4.787 -3.527 568 HB2 PRO 92 1HB PRO 92 1.546 -6.620 -1.530 569 HB3 PRO 92 2HB PRO 92 0.347 -5.398 -2.025 570 HG2 PRO 92 1HG PRO 92 0.311 -8.323 -2.588 571 HG3 PRO 92 2HG PRO 92 -1.052 -7.146 -2.470 572 HD2 PRO 92 1HD PRO 92 0.184 -8.134 -4.842 573 HD3 PRO 92 2HD PRO 92 -1.052 -6.863 -4.671 574 H LYS 93 H LYS 93 4.008 -4.928 -2.894 575 HA LYS 93 HA LYS 93 5.655 -7.349 -3.239 576 HB2 LYS 93 1HB LYS 93 6.982 -6.411 -5.059 577 HB3 LYS 93 2HB LYS 93 5.287 -6.449 -5.529 578 HG2 LYS 93 1HG LYS 93 5.191 -3.976 -4.723 579 HG3 LYS 93 2HG LYS 93 6.948 -4.045 -4.656 580 HD2 LYS 93 1HD LYS 93 6.303 -3.029 -6.731 581 HD3 LYS 93 2HD LYS 93 6.975 -4.630 -7.102 582 HE2 LYS 93 1HE LYS 93 4.704 -5.556 -7.336 583 HE3 LYS 93 2HE LYS 93 3.986 -4.032 -6.811 584 HZ1 LYS 93 3HZ LYS 93 3.989 -4.383 -9.231 585 HZ2 LYS 93 1HZ LYS 93 4.742 -2.991 -8.818 586 HZ3 LYS 93 2HZ LYS 93 5.624 -4.309 -9.268 587 H VAL 94 H VAL 94 8.024 -6.834 -2.818 588 HA VAL 94 HA VAL 94 8.261 -5.536 -0.272 589 HB VAL 94 HB VAL 94 10.473 -6.402 -2.179 590 HG11 VAL 94 1HG1 VAL 94 11.402 -4.826 -0.540 591 HG12 VAL 94 2HG1 VAL 94 10.590 -5.685 0.790 592 HG13 VAL 94 3HG1 VAL 94 11.902 -6.463 -0.122 593 HG21 VAL 94 3HG2 VAL 94 10.609 -8.393 -0.674 594 HG22 VAL 94 1HG2 VAL 94 9.174 -7.815 0.199 595 HG23 VAL 94 2HG2 VAL 94 9.060 -8.298 -1.507 596 H ALA 95 H ALA 95 8.886 -3.540 0.351 597 HA ALA 95 HA ALA 95 8.735 -1.402 -1.621 598 HB1 ALA 95 1HB ALA 95 7.601 -1.245 0.547 599 HB2 ALA 95 2HB ALA 95 9.155 -1.390 1.398 600 HB3 ALA 95 3HB ALA 95 8.815 0.038 0.403 601 H PHE 96 H PHE 96 10.269 -0.073 -2.371 602 HA PHE 96 HA PHE 96 13.085 -0.486 -2.080 603 HB2 PHE 96 1HB PHE 96 11.547 1.993 -2.954 604 HB3 PHE 96 2HB PHE 96 13.247 1.718 -3.238 605 HD1 PHE 96 2HD PHE 96 12.575 -1.427 -4.036 606 HD2 PHE 96 1HD PHE 96 11.351 2.504 -5.339 607 HE1 PHE 96 2HE PHE 96 12.070 -2.322 -6.281 608 HE2 PHE 96 1HE PHE 96 10.853 1.597 -7.590 609 HZ PHE 96 HZ PHE 96 11.206 -0.821 -8.066 610 HA PRO 97 HA PRO 97 14.358 1.527 1.609 611 HB2 PRO 97 1HB PRO 97 16.098 3.331 -0.090 612 HB3 PRO 97 2HB PRO 97 16.519 2.459 1.420 613 HG2 PRO 97 1HG PRO 97 17.249 1.415 -0.953 614 HG3 PRO 97 2HG PRO 97 16.506 0.343 0.282 615 HD2 PRO 97 1HD PRO 97 15.201 1.643 -2.118 616 HD3 PRO 97 2HD PRO 97 15.063 -0.040 -1.527 617 H ARG 98 H ARG 98 14.622 3.545 2.840 618 HA ARG 98 HA ARG 98 12.918 5.785 2.012 619 HB2 ARG 98 1HB ARG 98 11.355 5.479 3.694 620 HB3 ARG 98 2HB ARG 98 11.531 3.883 2.998 621 HG2 ARG 98 1HG ARG 98 12.662 4.885 5.645 622 HG3 ARG 98 2HG ARG 98 11.276 3.831 5.431 623 HD2 ARG 98 1HD ARG 98 12.664 2.023 4.593 624 HD3 ARG 98 2HD ARG 98 14.104 3.038 4.612 625 HE ARG 98 HE ARG 98 12.833 1.746 6.891 626 HH11 ARG 98 1HH1 ARG 98 15.079 4.361 5.996 627 HH12 ARG 98 2HH1 ARG 98 15.862 4.312 7.550 628 HH21 ARG 98 1HH2 ARG 98 13.886 1.779 8.861 629 HH22 ARG 98 2HH2 ARG 98 15.188 2.894 9.144 630 H ARG 99 H ARG 99 13.282 7.691 3.030 631 HA ARG 99 HA ARG 99 15.468 7.835 5.083 632 HB2 ARG 99 1HB ARG 99 14.727 9.837 2.910 633 HB3 ARG 99 2HB ARG 99 15.997 10.040 4.107 634 HG2 ARG 99 1HG ARG 99 15.917 7.949 1.887 635 HG3 ARG 99 2HG ARG 99 16.912 9.397 1.921 636 HD2 ARG 99 1HD ARG 99 17.146 7.052 3.854 637 HD3 ARG 99 2HD ARG 99 18.188 7.355 2.461 638 HE ARG 99 HE ARG 99 18.397 9.695 3.867 639 HH11 ARG 99 1HH1 ARG 99 18.997 6.325 4.761 640 HH12 ARG 99 2HH1 ARG 99 20.209 6.757 5.929 641 HH21 ARG 99 1HH2 ARG 99 19.968 10.182 5.386 642 HH22 ARG 99 2HH2 ARG 99 20.752 8.910 6.271 643 H ALA 100 H ALA 100 14.979 8.677 6.952 644 HA ALA 100 HA ALA 100 13.050 10.773 7.467 645 HB1 ALA 100 1HB ALA 100 11.481 8.869 7.170 646 HB2 ALA 100 2HB ALA 100 12.399 7.916 8.356 647 HB3 ALA 100 3HB ALA 100 11.526 9.377 8.863 648 H GLN 101 H GLN 101 12.934 11.250 9.843 649 HA GLN 101 HA GLN 101 15.105 10.167 11.525 650 HB2 GLN 101 1HB GLN 101 14.729 13.109 10.786 651 HB3 GLN 101 2HB GLN 101 15.702 12.560 12.137 652 HG2 GLN 101 1HG GLN 101 16.241 11.942 9.202 653 HG3 GLN 101 2HG GLN 101 17.071 13.140 10.173 654 HE21 GLN 101 2HE2 GLN 101 18.547 11.155 8.845 655 HE22 GLN 101 1HE2 GLN 101 19.222 10.079 10.062 656 HA PRO 102 HA PRO 102 11.796 10.742 14.498 657 HB2 PRO 102 1HB PRO 102 13.110 10.452 16.866 658 HB3 PRO 102 2HB PRO 102 12.872 9.092 15.726 659 HG2 PRO 102 1HG PRO 102 15.328 10.847 16.044 660 HG3 PRO 102 2HG PRO 102 15.248 9.058 15.957 661 HD2 PRO 102 1HD PRO 102 15.814 10.623 13.782 662 HD3 PRO 102 2HD PRO 102 14.896 9.093 13.635 663 H LYS 103 H LYS 103 10.845 12.411 15.559 664 HA LYS 103 HA LYS 103 12.318 14.806 16.475 665 HB2 LYS 103 1HB LYS 103 10.164 14.844 14.315 666 HB3 LYS 103 2HB LYS 103 10.731 16.269 15.171 667 HG2 LYS 103 1HG LYS 103 12.456 14.533 13.352 668 HG3 LYS 103 2HG LYS 103 11.672 16.043 12.905 669 HD2 LYS 103 1HD LYS 103 13.011 17.289 14.570 670 HD3 LYS 103 2HD LYS 103 13.761 15.789 15.112 671 HE2 LYS 103 1HE LYS 103 15.331 16.837 13.683 672 HE3 LYS 103 2HE LYS 103 14.697 15.429 12.829 673 HZ1 LYS 103 3HZ LYS 103 14.812 17.402 11.397 674 HZ2 LYS 103 1HZ LYS 103 13.257 16.941 11.559 675 HZ3 LYS 103 2HZ LYS 103 13.819 18.238 12.383 676 H5' G 104 H5' G 104 -5.546 -0.641 -13.062 677 H5'' G 104 H5" G 104 -4.150 -0.353 -12.024 678 H4' G 104 H4' G 104 -4.348 1.194 -13.982 679 H3' G 104 H3' G 104 -3.457 1.821 -11.439 680 H2' G 104 H2' G 104 -5.336 2.819 -10.580 681 HO2' G 104 HO2 G 104 -3.894 4.734 -11.997 682 H1' G 104 H1' G 104 -6.167 4.075 -13.189 683 H8 G 104 8H G 104 -7.325 2.309 -9.975 684 H1 G 104 1H G 104 -12.029 4.885 -13.536 685 H21 G 104 1H2 G 104 -11.162 5.531 -15.516 686 H22 G 104 2H2 G 104 -9.451 5.290 -15.831 687 HO5' G 104 H5T G 104 -5.841 -0.581 -10.618 688 H5' U 105 H5' U 105 -1.736 2.868 -10.435 689 H5'' U 105 H5" U 105 -0.674 3.969 -11.311 690 H4' U 105 H4' U 105 0.346 3.187 -9.250 691 H3' U 105 H3' U 105 1.639 3.328 -11.658 692 H2' U 105 H2' U 105 1.363 1.051 -12.216 693 HO2' U 105 HO2 U 105 3.833 1.674 -11.481 694 H1' U 105 H1' U 105 2.054 0.290 -9.377 695 H3 U 105 3H U 105 1.780 -4.094 -10.564 696 H5 U 105 5H U 105 -1.533 -2.409 -12.490 697 H6 U 105 6H U 105 -0.869 -0.221 -11.638 698 H5' A 106 H5' A 106 3.696 4.112 -7.323 699 H5'' A 106 H5" A 106 3.656 5.631 -8.182 700 H4' A 106 H4' A 106 4.920 6.135 -6.334 701 H3' A 106 H3' A 106 6.226 6.365 -8.740 702 H2' A 106 H2' A 106 7.279 4.266 -8.687 703 HO2' A 106 HO2 A 106 8.964 6.211 -7.566 704 H1' A 106 H1' A 106 7.958 4.555 -5.760 705 H8 A 106 8H A 106 6.889 2.062 -8.552 706 H61 A 106 1H6 A 106 8.896 -2.131 -4.309 707 H62 A 106 2H6 A 106 8.367 -1.997 -5.986 708 H2 A 106 2H A 106 9.038 1.751 -2.492 709 H5' G 107 H5' G 107 7.718 8.606 -4.356 710 H5'' G 107 H5" G 107 7.135 6.956 -4.123 711 H4' G 107 H4' G 107 5.508 9.117 -2.832 712 H3' G 107 H3' G 107 8.335 8.443 -1.970 713 H2' G 107 H2' G 107 7.592 8.762 0.262 714 HO2' G 107 HO2 G 107 6.354 10.786 -0.474 715 H1' G 107 H1' G 107 4.946 7.850 -0.202 716 H8 G 107 8H G 107 5.017 6.480 1.865 717 H1 G 107 1H G 107 10.603 3.643 0.371 718 H21 G 107 1H2 G 107 11.499 4.686 -1.341 719 H22 G 107 2H2 G 107 10.577 5.865 -2.267 720 H5' U 108 H5' U 108 10.533 12.279 0.445 721 H5'' U 108 H5" U 108 11.487 11.416 -0.761 722 H4' U 108 H4' U 108 12.369 10.849 1.372 723 H3' U 108 H3' U 108 11.490 8.846 -0.377 724 HO3' U 108 H3T U 108 13.515 8.699 0.565 725 H2' U 108 H2' U 108 9.499 8.437 0.808 726 HO2' U 108 HO2 U 108 11.501 6.729 1.331 727 H1' U 108 H1' U 108 11.067 8.769 3.381 728 H3 U 108 3H U 108 7.428 7.419 5.756 729 H5 U 108 5H U 108 5.778 10.005 2.908 730 H6 U 108 6H U 108 8.004 10.305 1.943 Start of MODEL 18 1 H CYS 20 1H CYS 20 10.242 -5.404 5.917 2 HA CYS 20 HA CYS 20 8.293 -6.649 6.484 3 HB2 CYS 20 1HB CYS 20 6.927 -6.009 8.461 4 HB3 CYS 20 2HB CYS 20 8.512 -6.632 8.908 5 HG CYS 20 HG CYS 20 7.362 -4.453 10.260 6 H LYS 21 H LYS 21 9.014 -4.038 4.885 7 HA LYS 21 HA LYS 21 6.239 -2.940 4.802 8 HB2 LYS 21 1HB LYS 21 7.945 -1.379 5.674 9 HB3 LYS 21 2HB LYS 21 8.844 -1.508 4.155 10 HG2 LYS 21 1HG LYS 21 7.018 -0.504 2.912 11 HG3 LYS 21 2HG LYS 21 5.918 -0.663 4.279 12 HD2 LYS 21 1HD LYS 21 7.252 1.002 5.549 13 HD3 LYS 21 2HD LYS 21 8.345 1.171 4.159 14 HE2 LYS 21 1HE LYS 21 6.541 1.933 2.734 15 HE3 LYS 21 2HE LYS 21 5.315 1.547 3.959 16 HZ1 LYS 21 3HZ LYS 21 6.040 3.942 3.708 17 HZ2 LYS 21 1HZ LYS 21 5.953 3.368 5.242 18 HZ3 LYS 21 2HZ LYS 21 7.419 3.537 4.464 19 H MET 22 H MET 22 5.250 -2.513 2.914 20 HA MET 22 HA MET 22 6.381 -3.575 0.368 21 HB2 MET 22 1HB MET 22 3.655 -4.216 1.574 22 HB3 MET 22 2HB MET 22 4.200 -4.674 -0.041 23 HG2 MET 22 1HG MET 22 6.125 -5.922 1.051 24 HG3 MET 22 2HG MET 22 5.388 -5.556 2.607 25 HE1 MET 22 3HE MET 22 4.088 -8.591 -0.560 26 HE2 MET 22 1HE MET 22 4.074 -6.864 -0.976 27 HE3 MET 22 2HE MET 22 5.586 -7.647 -0.459 28 H PHE 23 H PHE 23 5.781 -2.619 -1.413 29 HA PHE 23 HA PHE 23 4.145 -0.137 -1.468 30 HB2 PHE 23 1HB PHE 23 6.225 -0.017 -2.697 31 HB3 PHE 23 2HB PHE 23 5.980 -1.602 -3.416 32 HD1 PHE 23 1HD PHE 23 4.143 -1.919 -5.164 33 HD2 PHE 23 2HD PHE 23 5.328 1.958 -3.724 34 HE1 PHE 23 1HE PHE 23 3.071 -0.866 -7.126 35 HE2 PHE 23 2HE PHE 23 4.263 2.990 -5.684 36 HZ PHE 23 HZ PHE 23 3.141 1.607 -7.407 37 H ILE 24 H ILE 24 2.127 -0.145 -2.463 38 HA ILE 24 HA ILE 24 1.008 -2.811 -3.304 39 HB ILE 24 HB ILE 24 -0.592 -0.643 -1.926 40 HG12 ILE 24 1HG1 ILE 24 1.066 -1.186 -0.262 41 HG13 ILE 24 2HG1 ILE 24 -0.526 -1.760 0.165 42 HG21 ILE 24 1HG2 ILE 24 -1.790 -2.341 -3.259 43 HG22 ILE 24 2HG2 ILE 24 -1.051 -3.633 -2.304 44 HG23 ILE 24 3HG2 ILE 24 -2.159 -2.478 -1.533 45 HD11 ILE 24 3HD1 ILE 24 1.291 -3.337 0.786 46 HD12 ILE 24 1HD1 ILE 24 0.108 -4.071 -0.300 47 HD13 ILE 24 2HD1 ILE 24 1.687 -3.556 -0.922 48 H GLY 25 H GLY 25 0.983 -2.608 -5.517 49 HA2 GLY 25 1HA GLY 25 0.031 -0.091 -6.798 50 HA3 GLY 25 2HA GLY 25 0.775 -1.492 -7.591 51 H GLY 26 H GLY 26 -1.401 -0.352 -8.734 52 HA2 GLY 26 1HA GLY 26 -3.197 -1.172 -9.927 53 HA3 GLY 26 2HA GLY 26 -3.012 -2.727 -9.092 54 H LEU 27 H LEU 27 -3.523 0.096 -7.119 55 HA LEU 27 HA LEU 27 -5.964 -0.982 -5.964 56 HB2 LEU 27 1HB LEU 27 -4.694 1.771 -5.647 57 HB3 LEU 27 2HB LEU 27 -5.942 1.091 -4.631 58 HG LEU 27 HG LEU 27 -3.072 0.080 -4.808 59 HD11 LEU 27 1HD1 LEU 27 -3.449 2.262 -3.635 60 HD12 LEU 27 2HD1 LEU 27 -4.624 1.480 -2.581 61 HD13 LEU 27 3HD1 LEU 27 -2.916 0.978 -2.533 62 HD21 LEU 27 3HD2 LEU 27 -3.840 -1.283 -2.770 63 HD22 LEU 27 1HD2 LEU 27 -5.491 -1.027 -3.365 64 HD23 LEU 27 2HD2 LEU 27 -4.282 -1.846 -4.382 65 H SER 28 H SER 28 -7.902 0.463 -5.635 66 HA SER 28 HA SER 28 -8.926 1.523 -8.221 67 HB2 SER 28 1HB SER 28 -10.370 0.042 -6.883 68 HB3 SER 28 2HB SER 28 -10.210 1.123 -5.494 69 HG SER 28 HG SER 28 -12.133 1.463 -6.613 70 H TRP 29 H TRP 29 -9.562 3.731 -8.449 71 HA TRP 29 HA TRP 29 -8.256 5.764 -6.884 72 HB2 TRP 29 1HB TRP 29 -10.500 5.783 -8.894 73 HB3 TRP 29 2HB TRP 29 -9.934 7.248 -8.094 74 HD1 TRP 29 HD TRP 29 -6.938 5.252 -8.730 75 HE1 TRP 29 1HE TRP 29 -5.766 5.898 -10.884 76 HE3 TRP 29 3HE TRP 29 -10.665 8.052 -10.858 77 HZ2 TRP 29 2HZ TRP 29 -6.296 7.557 -13.199 78 HZ3 TRP 29 3HZ TRP 29 -10.312 9.120 -13.069 79 HH2 TRP 29 HH TRP 29 -8.137 8.881 -14.250 80 H GLN 30 H GLN 30 -10.935 3.856 -6.121 81 HA GLN 30 HA GLN 30 -11.992 5.734 -4.064 82 HB2 GLN 30 1HB GLN 30 -13.565 4.736 -5.598 83 HB3 GLN 30 2HB GLN 30 -12.945 3.125 -5.279 84 HG2 GLN 30 1HG GLN 30 -13.889 3.128 -3.039 85 HG3 GLN 30 2HG GLN 30 -14.369 4.830 -3.206 86 HE21 GLN 30 2HE2 GLN 30 -14.804 1.629 -4.908 87 HE22 GLN 30 1HE2 GLN 30 -16.495 1.944 -5.301 88 H THR 31 H THR 31 -9.542 3.330 -4.224 89 HA THR 31 HA THR 31 -9.950 2.088 -1.639 90 HB THR 31 HB THR 31 -7.389 2.414 -3.262 91 HG1 THR 31 1HG THR 31 -9.275 0.287 -3.124 92 HG21 THR 31 3HG2 THR 31 -6.761 0.286 -2.035 93 HG22 THR 31 1HG2 THR 31 -6.805 1.724 -1.016 94 HG23 THR 31 2HG2 THR 31 -8.145 0.554 -0.960 95 H THR 32 H THR 32 -9.159 2.612 0.332 96 HA THR 32 HA THR 32 -7.624 5.147 0.719 97 HB THR 32 HB THR 32 -8.832 5.513 2.797 98 HG1 THR 32 1HG THR 32 -10.677 4.114 3.191 99 HG21 THR 32 3HG2 THR 32 -11.018 6.116 1.978 100 HG22 THR 32 1HG2 THR 32 -9.846 6.417 0.685 101 HG23 THR 32 2HG2 THR 32 -10.896 4.985 0.617 102 H GLN 33 H GLN 33 -6.408 5.159 2.799 103 HA GLN 33 HA GLN 33 -4.826 2.767 3.118 104 HB2 GLN 33 1HB GLN 33 -3.789 4.000 5.018 105 HB3 GLN 33 2HB GLN 33 -3.779 4.868 3.484 106 HG2 GLN 33 1HG GLN 33 -5.586 6.313 4.187 107 HG3 GLN 33 2HG GLN 33 -5.824 5.386 5.677 108 HE21 GLN 33 2HE2 GLN 33 -3.767 7.812 4.068 109 HE22 GLN 33 1HE2 GLN 33 -2.843 8.187 5.513 110 H GLU 34 H GLU 34 -7.748 3.835 4.744 111 HA GLU 34 HA GLU 34 -7.590 1.851 6.885 112 HB2 GLU 34 1HB GLU 34 -9.947 3.391 5.719 113 HB3 GLU 34 2HB GLU 34 -10.025 2.318 7.124 114 HG2 GLU 34 1HG GLU 34 -8.342 3.736 8.296 115 HG3 GLU 34 2HG GLU 34 -8.326 4.845 6.921 116 H GLY 35 H GLY 35 -8.912 1.972 3.557 117 HA2 GLY 35 1HA GLY 35 -10.113 -0.650 3.557 118 HA3 GLY 35 2HA GLY 35 -9.629 0.307 2.137 119 H LEU 36 H LEU 36 -6.800 0.522 2.777 120 HA LEU 36 HA LEU 36 -5.770 -2.056 2.040 121 HB2 LEU 36 1HB LEU 36 -4.254 0.195 3.456 122 HB3 LEU 36 2HB LEU 36 -3.555 -1.201 2.667 123 HG LEU 36 HG LEU 36 -4.899 1.169 1.359 124 HD11 LEU 36 1HD1 LEU 36 -2.494 1.307 2.011 125 HD12 LEU 36 2HD1 LEU 36 -2.159 -0.100 0.980 126 HD13 LEU 36 3HD1 LEU 36 -2.743 1.407 0.254 127 HD21 LEU 36 3HD2 LEU 36 -4.486 0.017 -0.817 128 HD22 LEU 36 1HD2 LEU 36 -4.140 -1.484 0.066 129 HD23 LEU 36 2HD2 LEU 36 -5.755 -0.733 0.146 130 H ARG 37 H ARG 37 -5.763 -0.474 5.296 131 HA ARG 37 HA ARG 37 -4.749 -2.718 6.674 132 HB2 ARG 37 1HB ARG 37 -5.016 -0.464 7.636 133 HB3 ARG 37 2HB ARG 37 -6.776 -0.643 7.620 134 HG2 ARG 37 1HG ARG 37 -6.617 -2.538 9.219 135 HG3 ARG 37 2HG ARG 37 -4.850 -2.411 9.190 136 HD2 ARG 37 1HD ARG 37 -5.122 -0.009 9.963 137 HD3 ARG 37 2HD ARG 37 -6.845 -0.326 10.152 138 HE ARG 37 HE ARG 37 -4.654 -1.202 11.882 139 HH11 ARG 37 1HH1 ARG 37 -8.033 -1.893 11.070 140 HH12 ARG 37 2HH1 ARG 37 -8.319 -2.699 12.582 141 HH21 ARG 37 1HH2 ARG 37 -5.100 -2.248 13.806 142 HH22 ARG 37 2HH2 ARG 37 -6.682 -2.897 14.102 143 H GLU 38 H GLU 38 -8.122 -2.029 5.770 144 HA GLU 38 HA GLU 38 -9.354 -4.162 7.079 145 HB2 GLU 38 1HB GLU 38 -10.250 -2.111 5.534 146 HB3 GLU 38 2HB GLU 38 -10.394 -3.414 4.354 147 HG2 GLU 38 1HG GLU 38 -11.690 -4.719 6.073 148 HG3 GLU 38 2HG GLU 38 -11.533 -3.335 7.168 149 H TYR 39 H TYR 39 -7.662 -4.190 3.940 150 HA TYR 39 HA TYR 39 -8.336 -7.010 3.400 151 HB2 TYR 39 1HB TYR 39 -8.231 -5.285 1.630 152 HB3 TYR 39 2HB TYR 39 -6.517 -5.047 1.950 153 HD1 TYR 39 1HD TYR 39 -9.048 -7.631 0.970 154 HD2 TYR 39 2HD TYR 39 -4.897 -6.466 0.890 155 HE1 TYR 39 1HE TYR 39 -8.533 -9.590 -0.461 156 HE2 TYR 39 2HE TYR 39 -4.375 -8.409 -0.556 157 HH TYR 39 HH TYR 39 -6.909 -10.798 -1.506 158 H PHE 40 H PHE 40 -5.469 -5.121 4.381 159 HA PHE 40 HA PHE 40 -3.755 -7.440 4.251 160 HB2 PHE 40 1HB PHE 40 -3.315 -4.538 4.892 161 HB3 PHE 40 2HB PHE 40 -2.057 -5.696 5.192 162 HD1 PHE 40 1HD PHE 40 -1.655 -7.468 3.149 163 HD2 PHE 40 2HD PHE 40 -3.448 -3.579 2.693 164 HE1 PHE 40 1HE PHE 40 -1.194 -7.538 0.720 165 HE2 PHE 40 2HE PHE 40 -3.006 -3.661 0.265 166 HZ PHE 40 HZ PHE 40 -1.878 -5.641 -0.734 167 H GLY 41 H GLY 41 -5.664 -6.125 6.817 168 HA2 GLY 41 1HA GLY 41 -4.351 -7.282 9.059 169 HA3 GLY 41 2HA GLY 41 -6.087 -6.954 8.914 170 H GLN 42 H GLN 42 -5.801 -8.929 6.421 171 HA GLN 42 HA GLN 42 -6.583 -11.386 7.779 172 HB2 GLN 42 1HB GLN 42 -5.827 -10.882 4.865 173 HB3 GLN 42 2HB GLN 42 -6.662 -12.303 5.496 174 HG2 GLN 42 1HG GLN 42 -8.587 -10.874 6.172 175 HG3 GLN 42 2HG GLN 42 -7.760 -9.461 5.513 176 HE21 GLN 42 2HE2 GLN 42 -7.199 -9.526 3.136 177 HE22 GLN 42 1HE2 GLN 42 -8.300 -10.396 2.070 178 H PHE 43 H PHE 43 -3.551 -10.091 6.566 179 HA PHE 43 HA PHE 43 -2.213 -12.742 6.654 180 HB2 PHE 43 1HB PHE 43 -1.210 -10.078 5.596 181 HB3 PHE 43 2HB PHE 43 -0.470 -11.644 5.359 182 HD1 PHE 43 2HD PHE 43 -1.544 -13.330 3.817 183 HD2 PHE 43 1HD PHE 43 -3.150 -9.384 4.306 184 HE1 PHE 43 2HE PHE 43 -2.870 -13.621 1.746 185 HE2 PHE 43 1HE PHE 43 -4.485 -9.654 2.230 186 HZ PHE 43 HZ PHE 43 -4.351 -11.787 0.948 187 H GLY 44 H GLY 44 -2.402 -9.794 8.459 188 HA2 GLY 44 1HA GLY 44 -1.223 -10.640 10.809 189 HA3 GLY 44 2HA GLY 44 0.116 -9.959 9.895 190 H GLU 45 H GLU 45 -0.618 -8.803 12.289 191 HA GLU 45 HA GLU 45 -2.421 -6.559 11.955 192 HB2 GLU 45 1HB GLU 45 -1.885 -7.556 14.142 193 HB3 GLU 45 2HB GLU 45 -0.206 -7.013 13.998 194 HG2 GLU 45 1HG GLU 45 -0.893 -4.678 14.073 195 HG3 GLU 45 2HG GLU 45 -2.595 -5.122 13.909 196 H VAL 46 H VAL 46 -2.018 -4.586 11.026 197 HA VAL 46 HA VAL 46 0.595 -4.165 9.796 198 HB VAL 46 HB VAL 46 -0.302 -2.449 8.505 199 HG11 VAL 46 1HG1 VAL 46 -0.918 -4.765 7.829 200 HG12 VAL 46 2HG1 VAL 46 -2.482 -4.561 8.656 201 HG13 VAL 46 3HG1 VAL 46 -2.071 -3.537 7.274 202 HG21 VAL 46 3HG2 VAL 46 -2.684 -1.701 8.661 203 HG22 VAL 46 1HG2 VAL 46 -2.750 -2.437 10.276 204 HG23 VAL 46 2HG2 VAL 46 -1.619 -1.096 9.923 205 H LYS 47 H LYS 47 2.053 -2.723 10.269 206 HA LYS 47 HA LYS 47 1.994 -1.154 12.774 207 HB2 LYS 47 1HB LYS 47 3.893 -2.614 12.061 208 HB3 LYS 47 2HB LYS 47 4.141 -1.589 10.648 209 HG2 LYS 47 1HG LYS 47 4.628 0.343 12.161 210 HG3 LYS 47 2HG LYS 47 4.400 -0.713 13.560 211 HD2 LYS 47 1HD LYS 47 6.534 -0.999 11.396 212 HD3 LYS 47 2HD LYS 47 6.775 -0.359 13.027 213 HE2 LYS 47 1HE LYS 47 6.051 -2.583 13.963 214 HE3 LYS 47 2HE LYS 47 5.959 -3.209 12.308 215 HZ1 LYS 47 3HZ LYS 47 8.083 -3.748 13.326 216 HZ2 LYS 47 1HZ LYS 47 8.336 -2.733 12.068 217 HZ3 LYS 47 2HZ LYS 47 8.419 -2.174 13.605 218 H GLU 48 H GLU 48 1.635 -0.669 9.323 219 HA GLU 48 HA GLU 48 1.003 2.179 9.588 220 HB2 GLU 48 1HB GLU 48 3.568 1.992 9.512 221 HB3 GLU 48 2HB GLU 48 3.377 1.314 7.897 222 HG2 GLU 48 1HG GLU 48 2.282 3.435 7.163 223 HG3 GLU 48 2HG GLU 48 2.578 4.107 8.774 224 H CYS 49 H CYS 49 -0.183 2.894 7.792 225 HA CYS 49 HA CYS 49 -0.296 1.298 5.315 226 HB2 CYS 49 1HB CYS 49 -2.674 1.862 7.109 227 HB3 CYS 49 2HB CYS 49 -2.873 1.691 5.354 228 HG CYS 49 HG CYS 49 -1.031 -0.441 6.997 229 H LEU 50 H LEU 50 -0.515 2.640 3.511 230 HA LEU 50 HA LEU 50 -1.151 5.540 3.830 231 HB2 LEU 50 1HB LEU 50 1.334 4.342 2.543 232 HB3 LEU 50 2HB LEU 50 0.832 6.001 2.308 233 HG LEU 50 HG LEU 50 1.742 4.828 4.957 234 HD11 LEU 50 1HD1 LEU 50 3.542 5.014 3.265 235 HD12 LEU 50 2HD1 LEU 50 3.124 6.712 2.960 236 HD13 LEU 50 3HD1 LEU 50 3.761 6.211 4.544 237 HD21 LEU 50 3HD2 LEU 50 1.780 7.190 5.712 238 HD22 LEU 50 1HD2 LEU 50 1.086 7.708 4.159 239 HD23 LEU 50 2HD2 LEU 50 0.137 6.705 5.279 240 H VAL 51 H VAL 51 -1.761 6.559 1.902 241 HA VAL 51 HA VAL 51 -1.831 5.059 -0.641 242 HB VAL 51 HB VAL 51 -4.298 6.343 0.606 243 HG11 VAL 51 1HG1 VAL 51 -4.197 7.130 -1.712 244 HG12 VAL 51 2HG1 VAL 51 -3.877 5.476 -2.286 245 HG13 VAL 51 3HG1 VAL 51 -5.446 5.899 -1.562 246 HG21 VAL 51 3HG2 VAL 51 -5.336 4.141 0.031 247 HG22 VAL 51 1HG2 VAL 51 -3.751 3.550 -0.496 248 HG23 VAL 51 2HG2 VAL 51 -4.026 3.997 1.206 249 H MET 52 H MET 52 -1.157 6.328 -2.251 250 HA MET 52 HA MET 52 -0.204 9.031 -1.495 251 HB2 MET 52 1HB MET 52 0.490 7.101 -3.723 252 HB3 MET 52 2HB MET 52 1.227 8.704 -3.534 253 HG2 MET 52 1HG MET 52 1.336 6.566 -1.375 254 HG3 MET 52 2HG MET 52 2.570 6.812 -2.586 255 HE1 MET 52 3HE MET 52 2.192 8.937 1.329 256 HE2 MET 52 1HE MET 52 0.736 8.379 0.476 257 HE3 MET 52 2HE MET 52 2.036 7.225 0.868 258 H ARG 53 H ARG 53 -2.766 9.311 -1.692 259 HA ARG 53 HA ARG 53 -3.773 9.734 -4.327 260 HB2 ARG 53 1HB ARG 53 -5.795 10.548 -3.281 261 HB3 ARG 53 2HB ARG 53 -5.228 9.096 -2.462 262 HG2 ARG 53 1HG ARG 53 -4.294 10.503 -0.623 263 HG3 ARG 53 2HG ARG 53 -4.918 11.947 -1.448 264 HD2 ARG 53 1HD ARG 53 -7.220 10.962 -1.346 265 HD3 ARG 53 2HD ARG 53 -6.564 9.602 -0.413 266 HE ARG 53 HE ARG 53 -5.757 11.954 0.905 267 HH11 ARG 53 1HH1 ARG 53 -8.838 10.342 0.234 268 HH12 ARG 53 2HH1 ARG 53 -9.599 11.016 1.645 269 HH21 ARG 53 1HH2 ARG 53 -6.802 12.785 2.706 270 HH22 ARG 53 2HH2 ARG 53 -8.459 12.376 3.023 271 H ASP 54 H ASP 54 -4.442 11.561 -5.389 272 HA ASP 54 HA ASP 54 -2.810 13.974 -5.147 273 HB2 ASP 54 1HB ASP 54 -3.427 13.088 -7.332 274 HB3 ASP 54 2HB ASP 54 -5.140 13.175 -6.928 275 HA PRO 55 HA PRO 55 -5.832 15.654 -2.314 276 HB2 PRO 55 1HB PRO 55 -4.747 18.087 -1.726 277 HB3 PRO 55 2HB PRO 55 -3.988 16.542 -1.240 278 HG2 PRO 55 1HG PRO 55 -3.334 18.257 -3.656 279 HG3 PRO 55 2HG PRO 55 -2.201 17.558 -2.458 280 HD2 PRO 55 1HD PRO 55 -2.731 16.358 -4.866 281 HD3 PRO 55 2HD PRO 55 -2.398 15.411 -3.383 282 H LEU 56 H LEU 56 -5.482 17.005 -5.503 283 HA LEU 56 HA LEU 56 -7.630 19.020 -5.097 284 HB2 LEU 56 1HB LEU 56 -5.757 18.272 -7.380 285 HB3 LEU 56 2HB LEU 56 -7.180 19.234 -7.665 286 HG LEU 56 HG LEU 56 -5.213 20.616 -7.508 287 HD11 LEU 56 1HD1 LEU 56 -7.407 21.542 -6.797 288 HD12 LEU 56 2HD1 LEU 56 -7.015 21.146 -5.108 289 HD13 LEU 56 3HD1 LEU 56 -6.033 22.324 -5.997 290 HD21 LEU 56 3HD2 LEU 56 -3.925 20.971 -5.503 291 HD22 LEU 56 1HD2 LEU 56 -4.930 19.840 -4.583 292 HD23 LEU 56 2HD2 LEU 56 -3.889 19.243 -5.901 293 H THR 57 H THR 57 -7.076 15.887 -6.624 294 HA THR 57 HA THR 57 -9.927 15.792 -7.560 295 HB THR 57 HB THR 57 -9.149 14.250 -9.269 296 HG1 THR 57 1HG THR 57 -6.571 14.778 -8.180 297 HG21 THR 57 3HG2 THR 57 -7.888 15.759 -10.659 298 HG22 THR 57 1HG2 THR 57 -9.076 16.698 -9.739 299 HG23 THR 57 2HG2 THR 57 -7.364 16.716 -9.257 300 H LYS 58 H LYS 58 -7.875 14.405 -5.276 301 HA LYS 58 HA LYS 58 -8.064 12.796 -3.745 302 HB2 LYS 58 1HB LYS 58 -10.988 12.980 -4.530 303 HB3 LYS 58 2HB LYS 58 -10.422 11.850 -3.319 304 HG2 LYS 58 1HG LYS 58 -11.241 13.833 -2.261 305 HG3 LYS 58 2HG LYS 58 -9.524 13.630 -1.931 306 HD2 LYS 58 1HD LYS 58 -8.946 15.406 -3.490 307 HD3 LYS 58 2HD LYS 58 -10.623 15.556 -4.035 308 HE2 LYS 58 1HE LYS 58 -9.645 16.056 -1.180 309 HE3 LYS 58 2HE LYS 58 -9.792 17.315 -2.406 310 HZ1 LYS 58 3HZ LYS 58 -11.754 17.252 -1.012 311 HZ2 LYS 58 1HZ LYS 58 -12.173 16.842 -2.535 312 HZ3 LYS 58 2HZ LYS 58 -12.051 15.689 -1.378 313 H ARG 59 H ARG 59 -8.057 12.043 -6.886 314 HA ARG 59 HA ARG 59 -8.399 9.205 -7.050 315 HB2 ARG 59 1HB ARG 59 -6.434 11.068 -8.448 316 HB3 ARG 59 2HB ARG 59 -6.729 9.386 -8.902 317 HG2 ARG 59 1HG ARG 59 -9.094 9.879 -9.383 318 HG3 ARG 59 2HG ARG 59 -8.872 11.569 -8.920 319 HD2 ARG 59 1HD ARG 59 -7.350 10.196 -11.167 320 HD3 ARG 59 2HD ARG 59 -8.811 11.176 -11.393 321 HE ARG 59 HE ARG 59 -7.174 12.852 -9.968 322 HH11 ARG 59 1HH1 ARG 59 -6.704 11.182 -13.053 323 HH12 ARG 59 2HH1 ARG 59 -5.596 12.392 -13.631 324 HH21 ARG 59 1HH2 ARG 59 -5.769 14.332 -10.738 325 HH22 ARG 59 2HH2 ARG 59 -5.071 14.175 -12.327 326 H SER 60 H SER 60 -7.277 7.569 -6.214 327 HA SER 60 HA SER 60 -5.174 7.910 -4.283 328 HB2 SER 60 1HB SER 60 -5.275 5.500 -4.135 329 HB3 SER 60 2HB SER 60 -6.929 6.114 -4.336 330 HG SER 60 HG SER 60 -6.692 4.442 -5.771 331 H ARG 61 H ARG 61 -4.890 8.064 -7.609 332 HA ARG 61 HA ARG 61 -3.317 7.713 -9.194 333 HB2 ARG 61 1HB ARG 61 -1.390 7.729 -6.831 334 HB3 ARG 61 2HB ARG 61 -0.870 7.442 -8.480 335 HG2 ARG 61 1HG ARG 61 -1.835 9.615 -9.195 336 HG3 ARG 61 2HG ARG 61 -2.303 9.943 -7.521 337 HD2 ARG 61 1HD ARG 61 -0.182 11.070 -8.083 338 HD3 ARG 61 2HD ARG 61 0.049 9.858 -6.815 339 HE ARG 61 HE ARG 61 0.570 8.876 -9.532 340 HH11 ARG 61 1HH1 ARG 61 2.197 10.499 -6.800 341 HH12 ARG 61 2HH1 ARG 61 3.700 9.657 -7.179 342 HH21 ARG 61 1HH2 ARG 61 2.609 7.787 -9.761 343 HH22 ARG 61 2HH2 ARG 61 3.906 8.321 -8.713 344 H GLY 62 H GLY 62 -4.536 5.354 -7.402 345 HA2 GLY 62 1HA GLY 62 -4.753 3.105 -7.773 346 HA3 GLY 62 2HA GLY 62 -3.589 3.212 -9.111 347 H PHE 63 H PHE 63 -2.468 4.402 -5.967 348 HA PHE 63 HA PHE 63 -1.442 1.808 -5.202 349 HB2 PHE 63 1HB PHE 63 0.795 1.987 -5.677 350 HB3 PHE 63 2HB PHE 63 0.087 2.671 -7.115 351 HD1 PHE 63 1HD PHE 63 0.010 5.254 -7.321 352 HD2 PHE 63 2HD PHE 63 2.229 3.205 -4.247 353 HE1 PHE 63 1HE PHE 63 1.319 7.308 -6.876 354 HE2 PHE 63 2HE PHE 63 3.618 5.224 -3.906 355 HZ PHE 63 HZ PHE 63 3.149 7.290 -5.171 356 H GLY 64 H GLY 64 -0.111 1.724 -3.368 357 HA2 GLY 64 1HA GLY 64 0.214 4.039 -1.583 358 HA3 GLY 64 2HA GLY 64 -0.948 2.842 -1.037 359 H PHE 65 H PHE 65 0.396 2.491 0.784 360 HA PHE 65 HA PHE 65 2.515 0.470 0.384 361 HB2 PHE 65 1HB PHE 65 2.943 3.122 1.804 362 HB3 PHE 65 2HB PHE 65 3.900 1.712 2.150 363 HD1 PHE 65 2HD PHE 65 3.135 4.262 -0.475 364 HD2 PHE 65 1HD PHE 65 5.664 0.968 0.737 365 HE1 PHE 65 2HE PHE 65 4.830 4.923 -2.147 366 HE2 PHE 65 1HE PHE 65 7.352 1.660 -0.936 367 HZ PHE 65 HZ PHE 65 6.937 3.669 -2.363 368 H VAL 66 H VAL 66 2.847 -0.856 2.203 369 HA VAL 66 HA VAL 66 1.283 -0.340 4.684 370 HB VAL 66 HB VAL 66 1.038 -2.923 3.082 371 HG11 VAL 66 1HG1 VAL 66 1.132 -3.530 5.448 372 HG12 VAL 66 2HG1 VAL 66 -0.039 -2.255 5.855 373 HG13 VAL 66 3HG1 VAL 66 -0.535 -3.657 4.889 374 HG21 VAL 66 3HG2 VAL 66 -1.399 -2.392 3.102 375 HG22 VAL 66 1HG2 VAL 66 -1.039 -0.829 3.858 376 HG23 VAL 66 2HG2 VAL 66 -0.457 -1.183 2.235 377 H THR 67 H THR 67 2.264 -1.059 6.501 378 HA THR 67 HA THR 67 4.744 -2.745 6.292 379 HB THR 67 HB THR 67 4.252 -0.645 8.433 380 HG1 THR 67 1HG THR 67 4.519 0.315 6.375 381 HG21 THR 67 3HG2 THR 67 6.702 -0.872 8.774 382 HG22 THR 67 1HG2 THR 67 5.857 -2.397 9.078 383 HG23 THR 67 2HG2 THR 67 6.747 -2.168 7.563 384 H PHE 68 H PHE 68 4.809 -4.465 7.649 385 HA PHE 68 HA PHE 68 2.420 -5.010 9.348 386 HB2 PHE 68 1HB PHE 68 4.575 -6.771 8.150 387 HB3 PHE 68 2HB PHE 68 3.418 -7.337 9.348 388 HD1 PHE 68 1HD PHE 68 1.050 -7.592 8.867 389 HD2 PHE 68 2HD PHE 68 3.800 -6.232 5.838 390 HE1 PHE 68 1HE PHE 68 -0.631 -8.085 7.118 391 HE2 PHE 68 2HE PHE 68 2.116 -6.742 4.083 392 HZ PHE 68 HZ PHE 68 -0.105 -7.665 4.727 393 H MET 69 H MET 69 2.627 -5.831 11.476 394 HA MET 69 HA MET 69 4.707 -4.729 13.144 395 HB2 MET 69 1HB MET 69 2.603 -6.863 13.639 396 HB3 MET 69 2HB MET 69 3.683 -6.243 14.889 397 HG2 MET 69 1HG MET 69 1.731 -4.542 13.291 398 HG3 MET 69 2HG MET 69 1.472 -5.166 14.915 399 HE1 MET 69 3HE MET 69 1.767 -1.447 15.743 400 HE2 MET 69 1HE MET 69 0.883 -2.301 14.458 401 HE3 MET 69 2HE MET 69 0.940 -2.979 16.096 402 H ASP 70 H ASP 70 4.679 -7.591 11.235 403 HA ASP 70 HA ASP 70 7.439 -8.151 11.942 404 HB2 ASP 70 1HB ASP 70 6.131 -9.507 13.628 405 HB3 ASP 70 2HB ASP 70 5.380 -10.366 12.275 406 H GLN 71 H GLN 71 8.445 -9.594 10.424 407 HA GLN 71 HA GLN 71 7.733 -9.188 7.702 408 HB2 GLN 71 1HB GLN 71 10.010 -9.637 8.739 409 HB3 GLN 71 2HB GLN 71 9.522 -11.311 8.954 410 HG2 GLN 71 1HG GLN 71 10.927 -11.106 6.979 411 HG3 GLN 71 2HG GLN 71 9.310 -11.565 6.479 412 HE21 GLN 71 2HE2 GLN 71 10.316 -10.737 4.335 413 HE22 GLN 71 1HE2 GLN 71 10.129 -9.019 4.020 414 H ALA 72 H ALA 72 6.777 -11.775 9.924 415 HA ALA 72 HA ALA 72 6.153 -13.793 8.062 416 HB1 ALA 72 1HB ALA 72 6.258 -14.088 10.520 417 HB2 ALA 72 2HB ALA 72 4.766 -13.123 10.692 418 HB3 ALA 72 3HB ALA 72 4.727 -14.687 9.848 419 H GLY 73 H GLY 73 4.370 -10.804 8.543 420 HA2 GLY 73 1HA GLY 73 2.027 -11.864 7.054 421 HA3 GLY 73 2HA GLY 73 2.225 -10.210 7.654 422 H VAL 74 H VAL 74 5.001 -10.164 6.366 423 HA VAL 74 HA VAL 74 4.245 -9.282 3.671 424 HB VAL 74 HB VAL 74 6.965 -9.663 4.990 425 HG11 VAL 74 1HG1 VAL 74 7.364 -10.075 2.666 426 HG12 VAL 74 2HG1 VAL 74 6.376 -8.686 2.176 427 HG13 VAL 74 3HG1 VAL 74 7.912 -8.440 3.029 428 HG21 VAL 74 3HG2 VAL 74 7.040 -7.181 4.810 429 HG22 VAL 74 1HG2 VAL 74 5.359 -7.196 4.248 430 HG23 VAL 74 2HG2 VAL 74 5.760 -7.766 5.884 431 H ASP 75 H ASP 75 5.982 -12.073 5.134 432 HA ASP 75 HA ASP 75 6.600 -13.586 2.907 433 HB2 ASP 75 1HB ASP 75 7.100 -14.083 5.332 434 HB3 ASP 75 2HB ASP 75 5.447 -14.632 5.531 435 H LYS 76 H LYS 76 3.431 -13.656 4.621 436 HA LYS 76 HA LYS 76 2.202 -15.552 2.868 437 HB2 LYS 76 1HB LYS 76 0.943 -13.362 4.567 438 HB3 LYS 76 2HB LYS 76 0.092 -14.743 3.835 439 HG2 LYS 76 1HG LYS 76 1.385 -16.316 5.208 440 HG3 LYS 76 2HG LYS 76 2.264 -14.964 5.937 441 HD2 LYS 76 1HD LYS 76 -0.096 -14.010 6.546 442 HD3 LYS 76 2HD LYS 76 -0.716 -15.598 6.089 443 HE2 LYS 76 1HE LYS 76 -0.472 -15.780 8.395 444 HE3 LYS 76 2HE LYS 76 0.998 -16.554 7.781 445 HZ1 LYS 76 3HZ LYS 76 1.475 -14.979 9.583 446 HZ2 LYS 76 1HZ LYS 76 2.168 -14.445 8.191 447 HZ3 LYS 76 2HZ LYS 76 0.789 -13.746 8.742 448 H VAL 77 H VAL 77 2.406 -12.015 2.623 449 HA VAL 77 HA VAL 77 0.468 -11.817 0.466 450 HB VAL 77 HB VAL 77 2.575 -9.840 1.381 451 HG11 VAL 77 1HG1 VAL 77 1.971 -9.283 -0.952 452 HG12 VAL 77 2HG1 VAL 77 0.246 -9.377 -0.541 453 HG13 VAL 77 3HG1 VAL 77 1.269 -8.109 0.162 454 HG21 VAL 77 3HG2 VAL 77 0.680 -8.689 2.455 455 HG22 VAL 77 1HG2 VAL 77 -0.467 -9.862 1.776 456 HG23 VAL 77 2HG2 VAL 77 0.686 -10.367 3.011 457 H LEU 78 H LEU 78 4.009 -12.303 0.551 458 HA LEU 78 HA LEU 78 4.332 -12.128 -2.347 459 HB2 LEU 78 1HB LEU 78 6.026 -13.484 -0.217 460 HB3 LEU 78 2HB LEU 78 6.553 -13.072 -1.845 461 HG LEU 78 HG LEU 78 5.684 -10.988 0.211 462 HD11 LEU 78 1HD1 LEU 78 7.523 -12.288 1.048 463 HD12 LEU 78 2HD1 LEU 78 8.417 -12.123 -0.479 464 HD13 LEU 78 3HD1 LEU 78 8.140 -10.691 0.547 465 HD21 LEU 78 3HD2 LEU 78 6.916 -9.421 -1.236 466 HD22 LEU 78 1HD2 LEU 78 7.196 -10.721 -2.418 467 HD23 LEU 78 2HD2 LEU 78 5.540 -10.152 -2.072 468 H ALA 79 H ALA 79 3.892 -14.771 -0.005 469 HA ALA 79 HA ALA 79 4.269 -16.882 -1.840 470 HB1 ALA 79 1HB ALA 79 4.505 -17.084 0.604 471 HB2 ALA 79 2HB ALA 79 2.752 -16.845 0.806 472 HB3 ALA 79 3HB ALA 79 3.368 -18.292 -0.019 473 H GLN 80 H GLN 80 1.455 -14.892 -1.498 474 HA GLN 80 HA GLN 80 -0.353 -16.880 -2.761 475 HB2 GLN 80 1HB GLN 80 -1.126 -15.641 -0.787 476 HB3 GLN 80 2HB GLN 80 -0.881 -14.105 -1.625 477 HG2 GLN 80 1HG GLN 80 -2.593 -14.682 -3.278 478 HG3 GLN 80 2HG GLN 80 -2.762 -16.304 -2.606 479 HE21 GLN 80 2HE2 GLN 80 -4.415 -13.493 -2.763 480 HE22 GLN 80 1HE2 GLN 80 -5.240 -13.584 -1.204 481 H SER 81 H SER 81 -1.006 -16.762 -4.873 482 HA SER 81 HA SER 81 0.667 -15.267 -6.642 483 HB2 SER 81 1HB SER 81 -1.737 -16.993 -7.310 484 HB3 SER 81 2HB SER 81 -0.397 -16.563 -8.384 485 HG SER 81 HG SER 81 -0.139 -18.671 -7.484 486 H ARG 82 H ARG 82 -2.331 -14.256 -5.347 487 HA ARG 82 HA ARG 82 -2.586 -12.016 -7.178 488 HB2 ARG 82 1HB ARG 82 -3.613 -13.906 -8.489 489 HB3 ARG 82 2HB ARG 82 -4.800 -14.117 -7.201 490 HG2 ARG 82 1HG ARG 82 -5.694 -11.856 -7.622 491 HG3 ARG 82 2HG ARG 82 -4.399 -11.545 -8.799 492 HD2 ARG 82 1HD ARG 82 -5.268 -13.378 -10.219 493 HD3 ARG 82 2HD ARG 82 -6.563 -13.677 -9.040 494 HE ARG 82 HE ARG 82 -6.712 -10.949 -9.719 495 HH11 ARG 82 1HH1 ARG 82 -7.189 -14.023 -11.415 496 HH12 ARG 82 2HH1 ARG 82 -8.269 -13.308 -12.575 497 HH21 ARG 82 1HH2 ARG 82 -8.055 -10.098 -11.233 498 HH22 ARG 82 2HH2 ARG 82 -8.770 -11.105 -12.469 499 H HIS 83 H HIS 83 -3.990 -10.415 -6.431 500 HA HIS 83 HA HIS 83 -5.469 -10.793 -3.883 501 HB2 HIS 83 1HB HIS 83 -3.276 -8.750 -4.433 502 HB3 HIS 83 2HB HIS 83 -4.391 -8.658 -3.066 503 HD1 HIS 83 1HD HIS 83 -4.090 -10.652 -1.181 504 HD2 HIS 83 2HD HIS 83 -1.173 -10.337 -4.191 505 HE1 HIS 83 1HE HIS 83 -2.060 -11.979 -0.362 506 H GLU 84 H GLU 84 -7.098 -9.118 -3.531 507 HA GLU 84 HA GLU 84 -7.732 -7.295 -5.759 508 HB2 GLU 84 1HB GLU 84 -8.606 -9.616 -6.361 509 HB3 GLU 84 2HB GLU 84 -9.678 -9.488 -4.961 510 HG2 GLU 84 1HG GLU 84 -10.564 -7.315 -6.006 511 HG3 GLU 84 2HG GLU 84 -9.617 -7.719 -7.442 512 H LEU 85 H LEU 85 -8.725 -5.528 -5.068 513 HA LEU 85 HA LEU 85 -10.277 -5.435 -2.562 514 HB2 LEU 85 1HB LEU 85 -7.996 -5.128 -1.779 515 HB3 LEU 85 2HB LEU 85 -7.669 -3.945 -3.048 516 HG LEU 85 HG LEU 85 -9.225 -2.344 -2.001 517 HD11 LEU 85 1HD1 LEU 85 -10.860 -3.783 -0.906 518 HD12 LEU 85 2HD1 LEU 85 -9.607 -4.517 0.107 519 HD13 LEU 85 3HD1 LEU 85 -10.058 -2.815 0.335 520 HD21 LEU 85 3HD2 LEU 85 -7.855 -1.858 -0.024 521 HD22 LEU 85 1HD2 LEU 85 -7.175 -3.498 -0.061 522 HD23 LEU 85 2HD2 LEU 85 -6.838 -2.363 -1.386 523 H ASP 86 H ASP 86 -11.915 -4.046 -2.737 524 HA ASP 86 HA ASP 86 -13.503 -2.781 -3.681 525 HB2 ASP 86 1HB ASP 86 -11.726 -1.050 -3.103 526 HB3 ASP 86 2HB ASP 86 -11.315 -1.011 -4.817 527 H SER 87 H SER 87 -12.760 -5.046 -5.135 528 HA SER 87 HA SER 87 -13.144 -6.166 -7.065 529 HB2 SER 87 1HB SER 87 -14.609 -3.697 -8.053 530 HB3 SER 87 2HB SER 87 -14.718 -5.341 -8.686 531 HG SER 87 HG SER 87 -15.466 -4.511 -6.058 532 H LYS 88 H LYS 88 -10.673 -4.418 -6.814 533 HA LYS 88 HA LYS 88 -9.859 -4.508 -9.688 534 HB2 LYS 88 1HB LYS 88 -9.259 -2.471 -7.509 535 HB3 LYS 88 2HB LYS 88 -8.176 -2.682 -8.875 536 HG2 LYS 88 1HG LYS 88 -11.132 -2.184 -9.265 537 HG3 LYS 88 2HG LYS 88 -9.993 -0.845 -9.026 538 HD2 LYS 88 1HD LYS 88 -8.706 -1.571 -11.004 539 HD3 LYS 88 2HD LYS 88 -9.846 -2.890 -11.294 540 HE2 LYS 88 1HE LYS 88 -10.572 0.078 -11.251 541 HE3 LYS 88 2HE LYS 88 -10.225 -0.849 -12.713 542 HZ1 LYS 88 3HZ LYS 88 -12.599 -0.724 -12.327 543 HZ2 LYS 88 1HZ LYS 88 -12.123 -2.280 -12.185 544 HZ3 LYS 88 2HZ LYS 88 -12.465 -1.400 -10.848 545 H THR 89 H THR 89 -8.075 -5.578 -10.121 546 HA THR 89 HA THR 89 -6.956 -7.406 -8.090 547 HB THR 89 HB THR 89 -6.301 -7.062 -11.041 548 HG1 THR 89 1HG THR 89 -8.391 -7.881 -10.466 549 HG21 THR 89 3HG2 THR 89 -5.230 -9.302 -10.795 550 HG22 THR 89 1HG2 THR 89 -4.369 -8.060 -9.881 551 HG23 THR 89 2HG2 THR 89 -5.437 -9.194 -9.029 552 H ILE 90 H ILE 90 -5.295 -6.924 -6.825 553 HA ILE 90 HA ILE 90 -3.700 -4.474 -7.453 554 HB ILE 90 HB ILE 90 -3.306 -4.168 -5.142 555 HG12 ILE 90 1HG1 ILE 90 -4.836 -6.698 -4.508 556 HG13 ILE 90 2HG1 ILE 90 -3.077 -6.491 -4.414 557 HG21 ILE 90 1HG2 ILE 90 -5.509 -3.405 -6.142 558 HG22 ILE 90 2HG2 ILE 90 -6.266 -4.859 -5.458 559 HG23 ILE 90 3HG2 ILE 90 -5.579 -3.640 -4.394 560 HD11 ILE 90 3HD1 ILE 90 -3.877 -6.223 -2.206 561 HD12 ILE 90 1HD1 ILE 90 -3.466 -4.590 -2.786 562 HD13 ILE 90 2HD1 ILE 90 -5.165 -5.115 -2.709 563 H ASP 91 H ASP 91 -1.482 -4.396 -6.829 564 HA ASP 91 HA ASP 91 -0.026 -6.979 -7.273 565 HB2 ASP 91 1HB ASP 91 -0.390 -5.793 -9.380 566 HB3 ASP 91 2HB ASP 91 0.336 -4.333 -8.705 567 HA PRO 92 HA PRO 92 1.979 -4.713 -3.832 568 HB2 PRO 92 1HB PRO 92 1.757 -6.644 -1.865 569 HB3 PRO 92 2HB PRO 92 0.544 -5.388 -2.218 570 HG2 PRO 92 1HG PRO 92 0.387 -8.283 -2.803 571 HG3 PRO 92 2HG PRO 92 -0.919 -7.050 -2.706 572 HD2 PRO 92 1HD PRO 92 0.368 -8.123 -5.061 573 HD3 PRO 92 2HD PRO 92 -0.960 -6.948 -4.936 574 H LYS 93 H LYS 93 4.043 -4.866 -3.062 575 HA LYS 93 HA LYS 93 5.781 -7.183 -3.543 576 HB2 LYS 93 1HB LYS 93 7.185 -5.999 -5.201 577 HB3 LYS 93 2HB LYS 93 5.547 -6.258 -5.795 578 HG2 LYS 93 1HG LYS 93 4.973 -3.899 -5.196 579 HG3 LYS 93 2HG LYS 93 6.625 -3.648 -4.629 580 HD2 LYS 93 1HD LYS 93 6.450 -2.692 -6.824 581 HD3 LYS 93 2HD LYS 93 7.467 -4.127 -6.920 582 HE2 LYS 93 1HE LYS 93 6.043 -4.155 -8.836 583 HE3 LYS 93 2HE LYS 93 5.474 -5.431 -7.762 584 HZ1 LYS 93 3HZ LYS 93 3.645 -4.161 -8.642 585 HZ2 LYS 93 1HZ LYS 93 3.690 -3.912 -7.038 586 HZ3 LYS 93 2HZ LYS 93 4.234 -2.746 -8.081 587 H VAL 94 H VAL 94 8.083 -6.683 -2.914 588 HA VAL 94 HA VAL 94 8.104 -5.465 -0.312 589 HB VAL 94 HB VAL 94 10.469 -6.315 -2.031 590 HG11 VAL 94 1HG1 VAL 94 11.262 -4.795 -0.271 591 HG12 VAL 94 2HG1 VAL 94 10.321 -5.677 0.955 592 HG13 VAL 94 3HG1 VAL 94 11.702 -6.450 0.146 593 HG21 VAL 94 3HG2 VAL 94 10.441 -8.345 -0.569 594 HG22 VAL 94 1HG2 VAL 94 8.934 -7.768 0.177 595 HG23 VAL 94 2HG2 VAL 94 8.980 -8.207 -1.545 596 H ALA 95 H ALA 95 8.736 -3.501 0.428 597 HA ALA 95 HA ALA 95 8.757 -1.311 -1.507 598 HB1 ALA 95 1HB ALA 95 7.413 -1.205 0.548 599 HB2 ALA 95 2HB ALA 95 8.884 -1.357 1.535 600 HB3 ALA 95 3HB ALA 95 8.625 0.087 0.537 601 H PHE 96 H PHE 96 10.376 0.076 -2.020 602 HA PHE 96 HA PHE 96 13.129 -0.430 -1.469 603 HB2 PHE 96 1HB PHE 96 11.819 2.195 -2.260 604 HB3 PHE 96 2HB PHE 96 13.519 1.794 -2.432 605 HD1 PHE 96 2HD PHE 96 12.832 -1.174 -3.561 606 HD2 PHE 96 1HD PHE 96 11.653 2.855 -4.577 607 HE1 PHE 96 2HE PHE 96 12.372 -1.886 -5.880 608 HE2 PHE 96 1HE PHE 96 11.199 2.129 -6.901 609 HZ PHE 96 HZ PHE 96 11.549 -0.246 -7.558 610 HA PRO 97 HA PRO 97 13.295 0.790 2.706 611 HB2 PRO 97 1HB PRO 97 15.968 1.290 3.122 612 HB3 PRO 97 2HB PRO 97 15.299 -0.334 2.779 613 HG2 PRO 97 1HG PRO 97 16.513 1.629 0.803 614 HG3 PRO 97 2HG PRO 97 16.918 -0.106 1.028 615 HD2 PRO 97 1HD PRO 97 15.190 0.678 -0.897 616 HD3 PRO 97 2HD PRO 97 14.866 -0.801 0.059 617 H ARG 98 H ARG 98 13.988 2.435 4.298 618 HA ARG 98 HA ARG 98 14.083 5.221 3.320 619 HB2 ARG 98 1HB ARG 98 12.098 5.796 4.563 620 HB3 ARG 98 2HB ARG 98 11.726 4.571 3.349 621 HG2 ARG 98 1HG ARG 98 11.590 2.835 5.063 622 HG3 ARG 98 2HG ARG 98 12.135 3.969 6.317 623 HD2 ARG 98 1HD ARG 98 10.136 5.349 5.995 624 HD3 ARG 98 2HD ARG 98 9.588 4.287 4.686 625 HE ARG 98 HE ARG 98 9.923 2.581 6.837 626 HH11 ARG 98 1HH1 ARG 98 7.978 5.574 6.509 627 HH12 ARG 98 2HH1 ARG 98 6.669 4.825 7.431 628 HH21 ARG 98 1HH2 ARG 98 8.146 1.881 8.132 629 HH22 ARG 98 2HH2 ARG 98 6.786 2.985 8.315 630 H ARG 99 H ARG 99 14.089 6.771 5.190 631 HA ARG 99 HA ARG 99 15.455 5.794 7.655 632 HB2 ARG 99 1HB ARG 99 17.142 6.515 6.055 633 HB3 ARG 99 2HB ARG 99 16.383 8.117 5.971 634 HG2 ARG 99 1HG ARG 99 16.796 8.480 8.360 635 HG3 ARG 99 2HG ARG 99 17.414 6.820 8.552 636 HD2 ARG 99 1HD ARG 99 19.308 7.282 7.132 637 HD3 ARG 99 2HD ARG 99 18.574 8.813 6.622 638 HE ARG 99 HE ARG 99 18.941 8.829 9.471 639 HH11 ARG 99 1HH1 ARG 99 20.941 9.103 6.554 640 HH12 ARG 99 2HH1 ARG 99 22.147 10.042 7.383 641 HH21 ARG 99 1HH2 ARG 99 20.458 9.991 10.439 642 HH22 ARG 99 2HH2 ARG 99 21.888 10.551 9.591 643 H ALA 100 H ALA 100 14.656 6.653 9.449 644 HA ALA 100 HA ALA 100 13.433 9.303 9.620 645 HB1 ALA 100 1HB ALA 100 11.515 7.950 8.835 646 HB2 ALA 100 2HB ALA 100 11.788 6.776 10.142 647 HB3 ALA 100 3HB ALA 100 11.281 8.434 10.523 648 H GLN 101 H GLN 101 13.663 10.139 11.668 649 HA GLN 101 HA GLN 101 14.570 8.458 13.923 650 HB2 GLN 101 1HB GLN 101 16.205 10.645 12.546 651 HB3 GLN 101 2HB GLN 101 16.531 10.077 14.180 652 HG2 GLN 101 1HG GLN 101 16.913 7.771 13.313 653 HG3 GLN 101 2HG GLN 101 16.643 8.357 11.666 654 HE21 GLN 101 2HE2 GLN 101 18.855 8.718 14.499 655 HE22 GLN 101 1HE2 GLN 101 20.202 9.265 13.516 656 HA PRO 102 HA PRO 102 12.282 11.616 16.094 657 HB2 PRO 102 1HB PRO 102 13.159 11.335 18.656 658 HB3 PRO 102 2HB PRO 102 12.227 10.055 17.819 659 HG2 PRO 102 1HG PRO 102 15.245 10.265 18.112 660 HG3 PRO 102 2HG PRO 102 14.196 8.856 18.480 661 HD2 PRO 102 1HD PRO 102 15.502 9.096 16.102 662 HD3 PRO 102 2HD PRO 102 13.861 8.390 16.193 663 H LYS 103 H LYS 103 12.505 13.595 17.391 664 HA LYS 103 HA LYS 103 15.043 14.923 17.699 665 HB2 LYS 103 1HB LYS 103 14.884 16.645 16.128 666 HB3 LYS 103 2HB LYS 103 14.692 15.165 15.225 667 HG2 LYS 103 1HG LYS 103 12.496 17.137 16.011 668 HG3 LYS 103 2HG LYS 103 13.225 16.971 14.431 669 HD2 LYS 103 1HD LYS 103 11.415 14.960 15.815 670 HD3 LYS 103 2HD LYS 103 11.006 15.973 14.444 671 HE2 LYS 103 1HE LYS 103 13.134 13.785 14.418 672 HE3 LYS 103 2HE LYS 103 11.475 13.578 13.865 673 HZ1 LYS 103 3HZ LYS 103 12.950 14.048 12.022 674 HZ2 LYS 103 1HZ LYS 103 11.885 15.276 12.171 675 HZ3 LYS 103 2HZ LYS 103 13.432 15.464 12.670 676 H5' G 104 H5' G 104 -5.264 -0.666 -13.733 677 H5'' G 104 H5" G 104 -3.600 -0.375 -13.211 678 H4' G 104 H4' G 104 -4.461 1.580 -14.367 679 H3' G 104 H3' G 104 -3.366 1.689 -11.722 680 H2' G 104 H2' G 104 -5.316 2.470 -10.723 681 HO2' G 104 HO2 G 104 -3.933 4.606 -11.897 682 H1' G 104 H1' G 104 -6.021 3.843 -13.342 683 H8 G 104 8H G 104 -7.453 2.364 -10.061 684 H1 G 104 1H G 104 -11.608 5.730 -13.642 685 H21 G 104 1H2 G 104 -10.606 6.277 -15.586 686 H22 G 104 2H2 G 104 -8.956 5.760 -15.886 687 HO5' G 104 H5T G 104 -5.957 -0.288 -11.592 688 H5' U 105 H5' U 105 -1.966 3.001 -10.605 689 H5'' U 105 H5" U 105 -0.975 4.262 -11.339 690 H4' U 105 H4' U 105 -0.045 3.583 -9.226 691 H3' U 105 H3' U 105 1.387 3.788 -11.576 692 H2' U 105 H2' U 105 1.603 1.539 -12.034 693 HO2' U 105 HO2 U 105 3.784 2.505 -11.081 694 H1' U 105 H1' U 105 1.904 0.757 -9.155 695 H3 U 105 3H U 105 1.941 -3.589 -10.553 696 H5 U 105 5H U 105 -1.396 -1.991 -12.501 697 H6 U 105 6H U 105 -0.850 0.191 -11.580 698 H5' A 106 H5' A 106 5.105 3.885 -8.399 699 H5'' A 106 H5" A 106 3.753 4.276 -7.324 700 H4' A 106 H4' A 106 4.948 6.214 -6.434 701 H3' A 106 H3' A 106 6.426 6.383 -8.713 702 H2' A 106 H2' A 106 7.365 4.226 -8.562 703 HO2' A 106 HO2 A 106 9.139 6.152 -7.529 704 H1' A 106 H1' A 106 8.057 4.656 -5.636 705 H8 A 106 8H A 106 6.998 2.045 -8.328 706 H61 A 106 1H6 A 106 9.075 -1.977 -3.978 707 H62 A 106 2H6 A 106 8.519 -1.883 -5.648 708 H2 A 106 2H A 106 9.230 1.986 -2.291 709 H5' G 107 H5' G 107 7.924 8.481 -4.284 710 H5'' G 107 H5" G 107 7.254 6.860 -4.082 711 H4' G 107 H4' G 107 5.779 9.124 -2.760 712 H3' G 107 H3' G 107 8.489 8.102 -1.865 713 H2' G 107 H2' G 107 7.740 8.462 0.343 714 HO2' G 107 HO2 G 107 6.629 10.592 -0.489 715 H1' G 107 H1' G 107 5.035 7.799 -0.176 716 H8 G 107 8H G 107 4.781 6.178 1.627 717 H1 G 107 1H G 107 10.507 3.392 0.638 718 H21 G 107 1H2 G 107 11.561 4.482 -1.022 719 H22 G 107 2H2 G 107 10.731 5.748 -1.909 720 H5' U 108 H5' U 108 8.722 10.305 0.832 721 H5'' U 108 H5" U 108 10.030 11.475 0.775 722 H4' U 108 H4' U 108 11.494 10.151 2.000 723 H3' U 108 H3' U 108 10.603 7.847 0.737 724 HO3' U 108 H3T U 108 12.018 8.249 3.198 725 H2' U 108 H2' U 108 8.567 7.619 1.921 726 HO2' U 108 HO2 U 108 10.655 6.242 3.030 727 H1' U 108 H1' U 108 9.868 8.441 4.496 728 H3 U 108 3H U 108 5.802 7.681 6.377 729 H5 U 108 5H U 108 4.904 10.197 3.159 730 H6 U 108 6H U 108 7.232 10.078 2.456 Start of MODEL 19 1 H CYS 20 1H CYS 20 10.480 -4.465 6.592 2 HA CYS 20 HA CYS 20 8.915 -6.285 6.468 3 HB2 CYS 20 1HB CYS 20 7.686 -5.124 9.017 4 HB3 CYS 20 2HB CYS 20 7.171 -6.563 8.148 5 HG CYS 20 HG CYS 20 8.391 -7.143 10.454 6 H LYS 21 H LYS 21 8.828 -4.592 4.607 7 HA LYS 21 HA LYS 21 6.331 -2.994 4.772 8 HB2 LYS 21 1HB LYS 21 8.244 -1.628 5.653 9 HB3 LYS 21 2HB LYS 21 9.025 -1.760 4.074 10 HG2 LYS 21 1HG LYS 21 7.141 -0.553 3.020 11 HG3 LYS 21 2HG LYS 21 6.256 -0.553 4.552 12 HD2 LYS 21 1HD LYS 21 8.084 0.810 5.578 13 HD3 LYS 21 2HD LYS 21 8.920 0.825 4.006 14 HE2 LYS 21 1HE LYS 21 6.857 1.879 2.999 15 HE3 LYS 21 2HE LYS 21 6.157 1.981 4.625 16 HZ1 LYS 21 3HZ LYS 21 7.271 4.037 3.894 17 HZ2 LYS 21 1HZ LYS 21 8.011 3.438 5.242 18 HZ3 LYS 21 2HZ LYS 21 8.681 3.261 3.744 19 H MET 22 H MET 22 5.357 -2.462 2.898 20 HA MET 22 HA MET 22 6.374 -3.626 0.348 21 HB2 MET 22 1HB MET 22 3.669 -4.165 1.646 22 HB3 MET 22 2HB MET 22 4.159 -4.677 0.027 23 HG2 MET 22 1HG MET 22 6.077 -5.950 1.091 24 HG3 MET 22 2HG MET 22 5.410 -5.527 2.662 25 HE1 MET 22 3HE MET 22 3.894 -8.590 -0.369 26 HE2 MET 22 1HE MET 22 3.674 -6.875 -0.779 27 HE3 MET 22 2HE MET 22 5.302 -7.520 -0.469 28 H PHE 23 H PHE 23 5.794 -2.680 -1.428 29 HA PHE 23 HA PHE 23 4.236 -0.150 -1.517 30 HB2 PHE 23 1HB PHE 23 6.291 -0.153 -2.790 31 HB3 PHE 23 2HB PHE 23 5.961 -1.743 -3.459 32 HD1 PHE 23 1HD PHE 23 4.249 -2.067 -5.237 33 HD2 PHE 23 2HD PHE 23 5.265 1.855 -3.789 34 HE1 PHE 23 1HE PHE 23 3.214 -1.064 -7.239 35 HE2 PHE 23 2HE PHE 23 4.211 2.851 -5.789 36 HZ PHE 23 HZ PHE 23 3.180 1.417 -7.520 37 H ILE 24 H ILE 24 2.190 -0.112 -2.415 38 HA ILE 24 HA ILE 24 0.967 -2.748 -3.200 39 HB ILE 24 HB ILE 24 -0.506 -0.500 -1.808 40 HG12 ILE 24 1HG1 ILE 24 1.154 -1.107 -0.173 41 HG13 ILE 24 2HG1 ILE 24 -0.438 -1.653 0.297 42 HG21 ILE 24 1HG2 ILE 24 -1.792 -2.164 -3.119 43 HG22 ILE 24 2HG2 ILE 24 -1.117 -3.467 -2.135 44 HG23 ILE 24 3HG2 ILE 24 -2.158 -2.237 -1.389 45 HD11 ILE 24 3HD1 ILE 24 1.371 -3.265 0.847 46 HD12 ILE 24 1HD1 ILE 24 0.120 -3.963 -0.180 47 HD13 ILE 24 2HD1 ILE 24 1.683 -3.499 -0.876 48 H GLY 25 H GLY 25 1.026 -2.552 -5.411 49 HA2 GLY 25 1HA GLY 25 0.212 -0.015 -6.724 50 HA3 GLY 25 2HA GLY 25 0.953 -1.440 -7.479 51 H GLY 26 H GLY 26 -1.154 -0.086 -8.630 52 HA2 GLY 26 1HA GLY 26 -2.915 -0.735 -9.968 53 HA3 GLY 26 2HA GLY 26 -2.814 -2.366 -9.267 54 H LEU 27 H LEU 27 -3.322 0.220 -7.013 55 HA LEU 27 HA LEU 27 -5.757 -0.888 -5.984 56 HB2 LEU 27 1HB LEU 27 -4.570 1.902 -5.638 57 HB3 LEU 27 2HB LEU 27 -5.852 1.218 -4.664 58 HG LEU 27 HG LEU 27 -2.968 0.241 -4.727 59 HD11 LEU 27 1HD1 LEU 27 -3.420 2.419 -3.565 60 HD12 LEU 27 2HD1 LEU 27 -4.617 1.611 -2.551 61 HD13 LEU 27 3HD1 LEU 27 -2.903 1.142 -2.450 62 HD21 LEU 27 3HD2 LEU 27 -3.826 -1.112 -2.693 63 HD22 LEU 27 1HD2 LEU 27 -5.435 -0.903 -3.403 64 HD23 LEU 27 2HD2 LEU 27 -4.137 -1.707 -4.321 65 H SER 28 H SER 28 -7.816 0.182 -5.776 66 HA SER 28 HA SER 28 -8.880 1.348 -8.277 67 HB2 SER 28 1HB SER 28 -10.303 -0.156 -6.954 68 HB3 SER 28 2HB SER 28 -10.082 0.857 -5.524 69 HG SER 28 HG SER 28 -12.053 1.245 -6.569 70 H TRP 29 H TRP 29 -9.431 3.552 -8.534 71 HA TRP 29 HA TRP 29 -8.171 5.570 -6.960 72 HB2 TRP 29 1HB TRP 29 -10.381 5.564 -8.996 73 HB3 TRP 29 2HB TRP 29 -9.933 7.037 -8.141 74 HD1 TRP 29 HD TRP 29 -6.785 5.269 -8.658 75 HE1 TRP 29 1HE TRP 29 -5.556 6.049 -10.747 76 HE3 TRP 29 3HE TRP 29 -10.591 7.855 -10.918 77 HZ2 TRP 29 2HZ TRP 29 -6.075 7.755 -13.022 78 HZ3 TRP 29 3HZ TRP 29 -10.193 9.035 -13.064 79 HH2 TRP 29 HH TRP 29 -7.947 8.995 -14.126 80 H GLN 30 H GLN 30 -10.921 3.709 -6.138 81 HA GLN 30 HA GLN 30 -11.939 5.695 -4.180 82 HB2 GLN 30 1HB GLN 30 -12.841 2.833 -4.615 83 HB3 GLN 30 2HB GLN 30 -13.694 4.115 -3.761 84 HG2 GLN 30 1HG GLN 30 -13.853 5.368 -5.967 85 HG3 GLN 30 2HG GLN 30 -13.225 3.917 -6.764 86 HE21 GLN 30 2HE2 GLN 30 -14.545 1.757 -5.861 87 HE22 GLN 30 1HE2 GLN 30 -16.285 2.005 -5.962 88 H THR 31 H THR 31 -9.449 3.302 -4.171 89 HA THR 31 HA THR 31 -9.889 2.161 -1.575 90 HB THR 31 HB THR 31 -7.319 2.398 -3.195 91 HG1 THR 31 1HG THR 31 -9.275 0.336 -2.999 92 HG21 THR 31 3HG2 THR 31 -6.729 0.284 -1.939 93 HG22 THR 31 1HG2 THR 31 -6.738 1.736 -0.935 94 HG23 THR 31 2HG2 THR 31 -8.099 0.592 -0.856 95 H THR 32 H THR 32 -9.158 2.665 0.404 96 HA THR 32 HA THR 32 -7.550 5.146 0.838 97 HB THR 32 HB THR 32 -8.730 5.456 2.947 98 HG1 THR 32 1HG THR 32 -10.592 4.085 3.314 99 HG21 THR 32 3HG2 THR 32 -10.910 6.132 2.159 100 HG22 THR 32 1HG2 THR 32 -9.732 6.463 0.878 101 HG23 THR 32 2HG2 THR 32 -10.808 5.054 0.753 102 H GLN 33 H GLN 33 -6.273 5.088 2.842 103 HA GLN 33 HA GLN 33 -4.769 2.635 3.082 104 HB2 GLN 33 1HB GLN 33 -3.514 3.867 4.843 105 HB3 GLN 33 2HB GLN 33 -3.596 4.600 3.253 106 HG2 GLN 33 1HG GLN 33 -5.457 6.119 4.159 107 HG3 GLN 33 2HG GLN 33 -5.004 5.527 5.762 108 HE21 GLN 33 2HE2 GLN 33 -3.622 7.067 6.748 109 HE22 GLN 33 1HE2 GLN 33 -2.436 8.009 5.862 110 H GLU 34 H GLU 34 -7.501 3.852 4.900 111 HA GLU 34 HA GLU 34 -7.299 1.860 7.026 112 HB2 GLU 34 1HB GLU 34 -9.681 3.422 5.942 113 HB3 GLU 34 2HB GLU 34 -9.720 2.360 7.356 114 HG2 GLU 34 1HG GLU 34 -7.979 3.760 8.456 115 HG3 GLU 34 2HG GLU 34 -7.994 4.858 7.073 116 H GLY 35 H GLY 35 -8.771 1.984 3.762 117 HA2 GLY 35 1HA GLY 35 -9.970 -0.635 3.793 118 HA3 GLY 35 2HA GLY 35 -9.538 0.333 2.363 119 H LEU 36 H LEU 36 -6.677 0.524 2.917 120 HA LEU 36 HA LEU 36 -5.708 -2.050 2.110 121 HB2 LEU 36 1HB LEU 36 -4.100 0.161 3.491 122 HB3 LEU 36 2HB LEU 36 -3.453 -1.223 2.642 123 HG LEU 36 HG LEU 36 -4.851 1.171 1.435 124 HD11 LEU 36 1HD1 LEU 36 -2.440 1.367 1.997 125 HD12 LEU 36 2HD1 LEU 36 -2.100 -0.056 0.989 126 HD13 LEU 36 3HD1 LEU 36 -2.722 1.427 0.246 127 HD21 LEU 36 3HD2 LEU 36 -4.522 0.079 -0.768 128 HD22 LEU 36 1HD2 LEU 36 -4.112 -1.439 0.061 129 HD23 LEU 36 2HD2 LEU 36 -5.733 -0.718 0.235 130 H ARG 37 H ARG 37 -5.617 -0.539 5.405 131 HA ARG 37 HA ARG 37 -4.546 -2.844 6.682 132 HB2 ARG 37 1HB ARG 37 -4.743 -0.675 7.797 133 HB3 ARG 37 2HB ARG 37 -6.509 -0.765 7.753 134 HG2 ARG 37 1HG ARG 37 -6.501 -2.721 9.253 135 HG3 ARG 37 2HG ARG 37 -4.731 -2.771 9.212 136 HD2 ARG 37 1HD ARG 37 -4.743 -0.436 10.175 137 HD3 ARG 37 2HD ARG 37 -6.507 -0.561 10.295 138 HE ARG 37 HE ARG 37 -4.849 -2.652 11.643 139 HH11 ARG 37 1HH1 ARG 37 -6.741 0.317 12.124 140 HH12 ARG 37 2HH1 ARG 37 -7.030 -0.043 13.799 141 HH21 ARG 37 1HH2 ARG 37 -5.358 -3.097 13.752 142 HH22 ARG 37 2HH2 ARG 37 -6.227 -1.929 14.722 143 H GLU 38 H GLU 38 -7.933 -2.067 5.928 144 HA GLU 38 HA GLU 38 -9.155 -4.251 7.160 145 HB2 GLU 38 1HB GLU 38 -10.061 -2.119 5.744 146 HB3 GLU 38 2HB GLU 38 -10.258 -3.361 4.504 147 HG2 GLU 38 1HG GLU 38 -11.527 -4.729 6.193 148 HG3 GLU 38 2HG GLU 38 -11.322 -3.402 7.348 149 H TYR 39 H TYR 39 -7.531 -4.155 3.993 150 HA TYR 39 HA TYR 39 -8.235 -6.932 3.324 151 HB2 TYR 39 1HB TYR 39 -8.066 -5.124 1.644 152 HB3 TYR 39 2HB TYR 39 -6.347 -4.967 1.982 153 HD1 TYR 39 1HD TYR 39 -8.951 -7.471 0.956 154 HD2 TYR 39 2HD TYR 39 -4.787 -6.360 0.833 155 HE1 TYR 39 1HE TYR 39 -8.481 -9.419 -0.509 156 HE2 TYR 39 2HE TYR 39 -4.311 -8.287 -0.650 157 HH TYR 39 HH TYR 39 -6.888 -10.632 -1.595 158 H PHE 40 H PHE 40 -5.319 -5.163 4.375 159 HA PHE 40 HA PHE 40 -3.658 -7.517 4.139 160 HB2 PHE 40 1HB PHE 40 -3.176 -4.643 4.901 161 HB3 PHE 40 2HB PHE 40 -1.913 -5.817 5.118 162 HD1 PHE 40 1HD PHE 40 -1.691 -7.536 2.940 163 HD2 PHE 40 2HD PHE 40 -3.197 -3.504 2.821 164 HE1 PHE 40 1HE PHE 40 -1.361 -7.480 0.485 165 HE2 PHE 40 2HE PHE 40 -2.878 -3.455 0.374 166 HZ PHE 40 HZ PHE 40 -1.973 -5.444 -0.809 167 H GLY 41 H GLY 41 -5.430 -6.189 6.818 168 HA2 GLY 41 1HA GLY 41 -4.056 -7.478 8.964 169 HA3 GLY 41 2HA GLY 41 -5.763 -7.004 8.936 170 H GLN 42 H GLN 42 -5.755 -8.948 6.382 171 HA GLN 42 HA GLN 42 -6.606 -11.402 7.696 172 HB2 GLN 42 1HB GLN 42 -5.860 -10.874 4.785 173 HB3 GLN 42 2HB GLN 42 -6.741 -12.271 5.399 174 HG2 GLN 42 1HG GLN 42 -8.602 -10.770 6.120 175 HG3 GLN 42 2HG GLN 42 -7.727 -9.390 5.448 176 HE21 GLN 42 2HE2 GLN 42 -7.209 -9.477 3.062 177 HE22 GLN 42 1HE2 GLN 42 -8.359 -10.306 2.016 178 H PHE 43 H PHE 43 -3.547 -10.190 6.468 179 HA PHE 43 HA PHE 43 -2.250 -12.866 6.591 180 HB2 PHE 43 1HB PHE 43 -1.196 -10.222 5.513 181 HB3 PHE 43 2HB PHE 43 -0.486 -11.809 5.298 182 HD1 PHE 43 2HD PHE 43 -1.561 -13.477 3.771 183 HD2 PHE 43 1HD PHE 43 -3.126 -9.506 4.213 184 HE1 PHE 43 2HE PHE 43 -2.915 -13.779 1.707 185 HE2 PHE 43 1HE PHE 43 -4.478 -9.786 2.151 186 HZ PHE 43 HZ PHE 43 -4.388 -11.933 0.905 187 H GLY 44 H GLY 44 -2.128 -9.625 8.001 188 HA2 GLY 44 1HA GLY 44 -1.245 -10.439 10.556 189 HA3 GLY 44 2HA GLY 44 0.169 -9.872 9.676 190 H GLU 45 H GLU 45 -1.171 -8.636 12.023 191 HA GLU 45 HA GLU 45 -2.639 -6.323 11.232 192 HB2 GLU 45 1HB GLU 45 -2.601 -7.175 13.536 193 HB3 GLU 45 2HB GLU 45 -0.886 -6.785 13.677 194 HG2 GLU 45 1HG GLU 45 -2.292 -5.129 14.803 195 HG3 GLU 45 2HG GLU 45 -1.372 -4.386 13.507 196 H VAL 46 H VAL 46 -1.995 -4.148 10.976 197 HA VAL 46 HA VAL 46 0.675 -3.956 9.696 198 HB VAL 46 HB VAL 46 -0.132 -2.275 8.308 199 HG11 VAL 46 1HG1 VAL 46 -0.667 -4.618 7.666 200 HG12 VAL 46 2HG1 VAL 46 -2.281 -4.435 8.392 201 HG13 VAL 46 3HG1 VAL 46 -1.817 -3.448 6.998 202 HG21 VAL 46 3HG2 VAL 46 -2.523 -1.540 8.273 203 HG22 VAL 46 1HG2 VAL 46 -2.686 -2.244 9.901 204 HG23 VAL 46 2HG2 VAL 46 -1.554 -0.906 9.612 205 H LYS 47 H LYS 47 2.137 -2.613 10.295 206 HA LYS 47 HA LYS 47 2.014 -1.159 12.844 207 HB2 LYS 47 1HB LYS 47 3.907 -2.577 12.133 208 HB3 LYS 47 2HB LYS 47 4.198 -1.528 10.742 209 HG2 LYS 47 1HG LYS 47 4.739 0.353 12.239 210 HG3 LYS 47 2HG LYS 47 4.360 -0.638 13.651 211 HD2 LYS 47 1HD LYS 47 6.607 -1.148 11.650 212 HD3 LYS 47 2HD LYS 47 6.787 -0.431 13.258 213 HE2 LYS 47 1HE LYS 47 5.857 -2.553 14.258 214 HE3 LYS 47 2HE LYS 47 5.845 -3.267 12.638 215 HZ1 LYS 47 3HZ LYS 47 7.853 -3.862 13.844 216 HZ2 LYS 47 1HZ LYS 47 8.252 -2.952 12.547 217 HZ3 LYS 47 2HZ LYS 47 8.268 -2.295 14.047 218 H GLU 48 H GLU 48 1.846 -0.428 9.410 219 HA GLU 48 HA GLU 48 0.823 2.217 9.882 220 HB2 GLU 48 1HB GLU 48 3.302 2.638 10.102 221 HB3 GLU 48 2HB GLU 48 3.531 1.981 8.488 222 HG2 GLU 48 1HG GLU 48 3.599 4.410 8.471 223 HG3 GLU 48 2HG GLU 48 2.241 3.843 7.517 224 H CYS 49 H CYS 49 -0.115 3.105 7.944 225 HA CYS 49 HA CYS 49 0.123 1.600 5.433 226 HB2 CYS 49 1HB CYS 49 -2.328 1.284 5.192 227 HB3 CYS 49 2HB CYS 49 -1.640 0.326 6.510 228 HG CYS 49 HG CYS 49 -4.155 1.566 6.812 229 H LEU 50 H LEU 50 -0.338 2.746 3.629 230 HA LEU 50 HA LEU 50 -1.025 5.635 3.866 231 HB2 LEU 50 1HB LEU 50 1.493 4.365 2.748 232 HB3 LEU 50 2HB LEU 50 0.994 5.992 2.328 233 HG LEU 50 HG LEU 50 1.715 5.084 5.142 234 HD11 LEU 50 1HD1 LEU 50 3.630 5.089 3.578 235 HD12 LEU 50 2HD1 LEU 50 3.239 6.749 3.076 236 HD13 LEU 50 3HD1 LEU 50 3.766 6.413 4.742 237 HD21 LEU 50 3HD2 LEU 50 1.733 7.531 5.629 238 HD22 LEU 50 1HD2 LEU 50 1.114 7.858 3.994 239 HD23 LEU 50 2HD2 LEU 50 0.118 6.982 5.180 240 H VAL 51 H VAL 51 -1.976 6.488 2.110 241 HA VAL 51 HA VAL 51 -1.777 5.095 -0.535 242 HB VAL 51 HB VAL 51 -4.320 6.201 0.723 243 HG11 VAL 51 1HG1 VAL 51 -4.185 7.089 -1.584 244 HG12 VAL 51 2HG1 VAL 51 -3.856 5.458 -2.203 245 HG13 VAL 51 3HG1 VAL 51 -5.424 5.846 -1.456 246 HG21 VAL 51 3HG2 VAL 51 -5.232 3.985 0.058 247 HG22 VAL 51 1HG2 VAL 51 -3.642 3.515 -0.568 248 HG23 VAL 51 2HG2 VAL 51 -3.869 3.813 1.167 249 H MET 52 H MET 52 -1.093 6.392 -2.077 250 HA MET 52 HA MET 52 -0.254 9.118 -1.308 251 HB2 MET 52 1HB MET 52 0.450 7.266 -3.600 252 HB3 MET 52 2HB MET 52 1.147 8.881 -3.377 253 HG2 MET 52 1HG MET 52 1.373 6.689 -1.280 254 HG3 MET 52 2HG MET 52 2.556 6.980 -2.534 255 HE1 MET 52 3HE MET 52 2.290 8.977 1.444 256 HE2 MET 52 1HE MET 52 0.831 8.365 0.630 257 HE3 MET 52 2HE MET 52 2.206 7.274 0.938 258 H ARG 53 H ARG 53 -2.842 9.263 -1.465 259 HA ARG 53 HA ARG 53 -4.005 9.574 -4.025 260 HB2 ARG 53 1HB ARG 53 -5.984 10.356 -2.865 261 HB3 ARG 53 2HB ARG 53 -5.294 8.960 -2.054 262 HG2 ARG 53 1HG ARG 53 -4.283 10.524 -0.343 263 HG3 ARG 53 2HG ARG 53 -5.131 11.858 -1.159 264 HD2 ARG 53 1HD ARG 53 -7.284 10.523 -0.856 265 HD3 ARG 53 2HD ARG 53 -6.366 9.410 0.173 266 HE ARG 53 HE ARG 53 -5.839 11.937 1.214 267 HH11 ARG 53 1HH1 ARG 53 -8.789 10.025 0.771 268 HH12 ARG 53 2HH1 ARG 53 -9.586 10.785 2.114 269 HH21 ARG 53 1HH2 ARG 53 -6.931 12.871 2.933 270 HH22 ARG 53 2HH2 ARG 53 -8.548 12.368 3.320 271 H ASP 54 H ASP 54 -4.850 11.299 -5.104 272 HA ASP 54 HA ASP 54 -3.267 13.753 -5.204 273 HB2 ASP 54 1HB ASP 54 -4.077 12.682 -7.230 274 HB3 ASP 54 2HB ASP 54 -5.742 12.768 -6.667 275 HA PRO 55 HA PRO 55 -6.122 15.622 -2.196 276 HB2 PRO 55 1HB PRO 55 -4.969 18.084 -1.890 277 HB3 PRO 55 2HB PRO 55 -4.265 16.585 -1.209 278 HG2 PRO 55 1HG PRO 55 -3.551 17.950 -3.830 279 HG3 PRO 55 2HG PRO 55 -2.439 17.407 -2.529 280 HD2 PRO 55 1HD PRO 55 -2.915 15.874 -4.714 281 HD3 PRO 55 2HD PRO 55 -2.738 15.130 -3.097 282 H LEU 56 H LEU 56 -5.591 16.737 -5.492 283 HA LEU 56 HA LEU 56 -7.552 18.900 -5.375 284 HB2 LEU 56 1HB LEU 56 -6.212 17.455 -7.703 285 HB3 LEU 56 2HB LEU 56 -7.157 18.919 -7.820 286 HG LEU 56 HG LEU 56 -4.499 18.628 -6.344 287 HD11 LEU 56 1HD1 LEU 56 -4.302 18.540 -8.802 288 HD12 LEU 56 2HD1 LEU 56 -5.202 20.067 -8.938 289 HD13 LEU 56 3HD1 LEU 56 -3.608 20.035 -8.154 290 HD21 LEU 56 3HD2 LEU 56 -4.563 21.116 -6.164 291 HD22 LEU 56 1HD2 LEU 56 -6.230 21.105 -6.781 292 HD23 LEU 56 2HD2 LEU 56 -5.840 20.345 -5.219 293 H THR 57 H THR 57 -7.589 15.530 -6.309 294 HA THR 57 HA THR 57 -10.498 15.661 -7.063 295 HB THR 57 HB THR 57 -10.030 13.847 -8.635 296 HG1 THR 57 1HG THR 57 -7.272 14.234 -8.186 297 HG21 THR 57 3HG2 THR 57 -8.723 15.019 -10.307 298 HG22 THR 57 1HG2 THR 57 -9.779 16.175 -9.476 299 HG23 THR 57 2HG2 THR 57 -8.045 16.121 -9.091 300 H LYS 58 H LYS 58 -8.319 14.233 -4.879 301 HA LYS 58 HA LYS 58 -8.416 12.684 -3.298 302 HB2 LYS 58 1HB LYS 58 -11.408 12.930 -3.732 303 HB3 LYS 58 2HB LYS 58 -10.717 11.823 -2.565 304 HG2 LYS 58 1HG LYS 58 -11.354 13.848 -1.473 305 HG3 LYS 58 2HG LYS 58 -9.612 13.623 -1.362 306 HD2 LYS 58 1HD LYS 58 -9.228 15.378 -3.011 307 HD3 LYS 58 2HD LYS 58 -10.973 15.498 -3.348 308 HE2 LYS 58 1HE LYS 58 -11.360 16.225 -1.007 309 HE3 LYS 58 2HE LYS 58 -9.633 16.060 -0.661 310 HZ1 LYS 58 3HZ LYS 58 -10.208 18.356 -1.155 311 HZ2 LYS 58 1HZ LYS 58 -9.198 17.790 -2.312 312 HZ3 LYS 58 2HZ LYS 58 -10.799 17.956 -2.625 313 H ARG 59 H ARG 59 -8.527 11.898 -6.367 314 HA ARG 59 HA ARG 59 -9.028 9.078 -6.497 315 HB2 ARG 59 1HB ARG 59 -6.886 10.803 -7.842 316 HB3 ARG 59 2HB ARG 59 -7.187 9.123 -8.251 317 HG2 ARG 59 1HG ARG 59 -9.477 9.617 -8.962 318 HG3 ARG 59 2HG ARG 59 -9.298 11.315 -8.514 319 HD2 ARG 59 1HD ARG 59 -7.629 9.859 -10.603 320 HD3 ARG 59 2HD ARG 59 -9.000 10.927 -10.956 321 HE ARG 59 HE ARG 59 -7.428 12.546 -9.461 322 HH11 ARG 59 1HH1 ARG 59 -6.680 10.679 -12.365 323 HH12 ARG 59 2HH1 ARG 59 -5.374 11.735 -12.820 324 HH21 ARG 59 1HH2 ARG 59 -5.686 13.814 -10.026 325 HH22 ARG 59 2HH2 ARG 59 -4.846 13.518 -11.526 326 H SER 60 H SER 60 -7.957 7.379 -5.526 327 HA SER 60 HA SER 60 -5.794 7.599 -3.712 328 HB2 SER 60 1HB SER 60 -5.717 5.253 -3.721 329 HB3 SER 60 2HB SER 60 -7.400 5.647 -4.112 330 HG SER 60 HG SER 60 -6.833 4.183 -5.625 331 H ARG 61 H ARG 61 -5.668 7.750 -7.126 332 HA ARG 61 HA ARG 61 -4.118 7.987 -8.667 333 HB2 ARG 61 1HB ARG 61 -2.863 9.143 -6.476 334 HB3 ARG 61 2HB ARG 61 -1.676 7.958 -6.951 335 HG2 ARG 61 1HG ARG 61 -2.681 9.363 -9.331 336 HG3 ARG 61 2HG ARG 61 -2.306 10.532 -8.086 337 HD2 ARG 61 1HD ARG 61 -0.352 10.178 -9.511 338 HD3 ARG 61 2HD ARG 61 -0.008 9.593 -7.872 339 HE ARG 61 HE ARG 61 -1.060 7.443 -9.410 340 HH11 ARG 61 1HH1 ARG 61 2.018 9.227 -9.219 341 HH12 ARG 61 2HH1 ARG 61 2.899 7.836 -9.800 342 HH21 ARG 61 1HH2 ARG 61 0.138 5.811 -10.173 343 HH22 ARG 61 2HH2 ARG 61 1.888 5.961 -10.317 344 H GLY 62 H GLY 62 -4.637 5.306 -7.072 345 HA2 GLY 62 1HA GLY 62 -4.539 3.175 -7.942 346 HA3 GLY 62 2HA GLY 62 -3.283 3.681 -9.094 347 H PHE 63 H PHE 63 -2.402 4.518 -5.852 348 HA PHE 63 HA PHE 63 -1.342 1.927 -5.175 349 HB2 PHE 63 1HB PHE 63 0.929 2.181 -5.542 350 HB3 PHE 63 2HB PHE 63 0.227 2.772 -7.018 351 HD1 PHE 63 2HD PHE 63 -0.111 5.434 -7.158 352 HD2 PHE 63 1HD PHE 63 2.443 3.446 -4.308 353 HE1 PHE 63 2HE PHE 63 1.088 7.569 -6.733 354 HE2 PHE 63 1HE PHE 63 3.714 5.546 -3.995 355 HZ PHE 63 HZ PHE 63 3.028 7.605 -5.139 356 H GLY 64 H GLY 64 -0.029 1.819 -3.330 357 HA2 GLY 64 1HA GLY 64 0.311 4.122 -1.535 358 HA3 GLY 64 2HA GLY 64 -0.843 2.918 -0.985 359 H PHE 65 H PHE 65 0.562 2.614 0.810 360 HA PHE 65 HA PHE 65 2.669 0.584 0.401 361 HB2 PHE 65 1HB PHE 65 3.125 3.276 1.745 362 HB3 PHE 65 2HB PHE 65 4.119 1.882 2.067 363 HD1 PHE 65 1HD PHE 65 3.256 4.446 -0.511 364 HD2 PHE 65 2HD PHE 65 5.735 1.045 0.506 365 HE1 PHE 65 1HE PHE 65 4.854 5.062 -2.271 366 HE2 PHE 65 2HE PHE 65 7.308 1.666 -1.296 367 HZ PHE 65 HZ PHE 65 6.874 3.700 -2.684 368 H VAL 66 H VAL 66 3.000 -0.728 2.211 369 HA VAL 66 HA VAL 66 1.492 -0.136 4.718 370 HB VAL 66 HB VAL 66 1.198 -2.724 3.140 371 HG11 VAL 66 1HG1 VAL 66 1.427 -3.296 5.542 372 HG12 VAL 66 2HG1 VAL 66 0.196 -2.080 5.949 373 HG13 VAL 66 3HG1 VAL 66 -0.236 -3.520 5.003 374 HG21 VAL 66 3HG2 VAL 66 -1.225 -2.218 3.269 375 HG22 VAL 66 1HG2 VAL 66 -0.873 -0.696 4.111 376 HG23 VAL 66 2HG2 VAL 66 -0.360 -0.934 2.431 377 H THR 67 H THR 67 2.540 -0.632 6.493 378 HA THR 67 HA THR 67 5.057 -2.273 6.411 379 HB THR 67 HB THR 67 4.339 -0.208 8.525 380 HG1 THR 67 1HG THR 67 4.628 0.824 6.519 381 HG21 THR 67 3HG2 THR 67 6.724 -0.330 9.052 382 HG22 THR 67 1HG2 THR 67 6.032 -1.962 9.131 383 HG23 THR 67 2HG2 THR 67 6.997 -1.476 7.724 384 H PHE 68 H PHE 68 5.052 -4.051 7.734 385 HA PHE 68 HA PHE 68 2.489 -4.693 9.119 386 HB2 PHE 68 1HB PHE 68 4.695 -6.416 7.973 387 HB3 PHE 68 2HB PHE 68 3.390 -7.042 8.966 388 HD1 PHE 68 1HD PHE 68 4.103 -5.326 5.719 389 HD2 PHE 68 2HD PHE 68 1.197 -7.431 8.113 390 HE1 PHE 68 1HE PHE 68 2.627 -5.552 3.737 391 HE2 PHE 68 2HE PHE 68 -0.271 -7.659 6.132 392 HZ PHE 68 HZ PHE 68 0.445 -6.718 3.937 393 H MET 69 H MET 69 2.435 -5.686 11.162 394 HA MET 69 HA MET 69 4.386 -4.836 13.123 395 HB2 MET 69 1HB MET 69 2.100 -6.838 13.239 396 HB3 MET 69 2HB MET 69 3.068 -6.368 14.635 397 HG2 MET 69 1HG MET 69 1.412 -4.440 12.963 398 HG3 MET 69 2HG MET 69 0.927 -5.160 14.494 399 HE1 MET 69 3HE MET 69 1.344 -1.568 15.704 400 HE2 MET 69 1HE MET 69 0.529 -2.262 14.285 401 HE3 MET 69 2HE MET 69 0.418 -3.075 15.859 402 H ASP 70 H ASP 70 4.310 -7.590 11.032 403 HA ASP 70 HA ASP 70 6.900 -8.475 12.013 404 HB2 ASP 70 1HB ASP 70 5.125 -9.710 13.433 405 HB3 ASP 70 2HB ASP 70 4.679 -10.541 11.938 406 H GLN 71 H GLN 71 7.951 -9.919 10.556 407 HA GLN 71 HA GLN 71 7.470 -9.452 7.773 408 HB2 GLN 71 1HB GLN 71 9.668 -9.886 8.937 409 HB3 GLN 71 2HB GLN 71 9.165 -11.549 9.181 410 HG2 GLN 71 1HG GLN 71 10.708 -11.371 7.285 411 HG3 GLN 71 2HG GLN 71 9.141 -11.933 6.741 412 HE21 GLN 71 2HE2 GLN 71 10.112 -11.232 4.583 413 HE22 GLN 71 1HE2 GLN 71 9.909 -9.543 4.141 414 H ALA 72 H ALA 72 6.343 -11.985 9.960 415 HA ALA 72 HA ALA 72 5.746 -14.016 8.092 416 HB1 ALA 72 1HB ALA 72 5.692 -14.293 10.545 417 HB2 ALA 72 2HB ALA 72 4.258 -13.239 10.639 418 HB3 ALA 72 3HB ALA 72 4.161 -14.807 9.806 419 H GLY 73 H GLY 73 3.987 -10.983 8.603 420 HA2 GLY 73 1HA GLY 73 1.694 -11.848 6.966 421 HA3 GLY 73 2HA GLY 73 2.027 -10.195 7.529 422 H VAL 74 H VAL 74 4.675 -10.007 6.487 423 HA VAL 74 HA VAL 74 4.212 -9.165 3.775 424 HB VAL 74 HB VAL 74 6.815 -9.698 5.261 425 HG11 VAL 74 1HG1 VAL 74 7.348 -9.898 2.908 426 HG12 VAL 74 2HG1 VAL 74 6.446 -8.417 2.527 427 HG13 VAL 74 3HG1 VAL 74 7.930 -8.339 3.493 428 HG21 VAL 74 3HG2 VAL 74 6.968 -7.253 5.410 429 HG22 VAL 74 1HG2 VAL 74 5.410 -7.093 4.575 430 HG23 VAL 74 2HG2 VAL 74 5.498 -7.838 6.189 431 H ASP 75 H ASP 75 5.866 -12.055 5.154 432 HA ASP 75 HA ASP 75 6.612 -13.380 2.823 433 HB2 ASP 75 1HB ASP 75 7.153 -14.006 5.194 434 HB3 ASP 75 2HB ASP 75 5.515 -14.605 5.392 435 H LYS 76 H LYS 76 3.431 -13.639 4.497 436 HA LYS 76 HA LYS 76 2.308 -15.541 2.672 437 HB2 LYS 76 1HB LYS 76 1.010 -13.483 4.494 438 HB3 LYS 76 2HB LYS 76 0.144 -14.785 3.646 439 HG2 LYS 76 1HG LYS 76 1.294 -16.500 4.858 440 HG3 LYS 76 2HG LYS 76 2.405 -15.335 5.597 441 HD2 LYS 76 1HD LYS 76 0.382 -14.174 6.610 442 HD3 LYS 76 2HD LYS 76 -0.629 -15.500 6.021 443 HE2 LYS 76 1HE LYS 76 1.741 -15.743 7.922 444 HE3 LYS 76 2HE LYS 76 0.045 -15.657 8.420 445 HZ1 LYS 76 3HZ LYS 76 0.800 -17.952 8.345 446 HZ2 LYS 76 1HZ LYS 76 -0.351 -17.734 7.208 447 HZ3 LYS 76 2HZ LYS 76 1.225 -17.829 6.775 448 H VAL 77 H VAL 77 2.344 -11.987 2.583 449 HA VAL 77 HA VAL 77 0.419 -11.788 0.433 450 HB VAL 77 HB VAL 77 2.449 -9.771 1.435 451 HG11 VAL 77 1HG1 VAL 77 1.785 -9.125 -0.861 452 HG12 VAL 77 2HG1 VAL 77 0.074 -9.312 -0.427 453 HG13 VAL 77 3HG1 VAL 77 1.061 -8.043 0.328 454 HG21 VAL 77 3HG2 VAL 77 0.528 -8.759 2.590 455 HG22 VAL 77 1HG2 VAL 77 -0.590 -9.918 1.840 456 HG23 VAL 77 2HG2 VAL 77 0.574 -10.466 3.042 457 H LEU 78 H LEU 78 3.965 -12.171 0.513 458 HA LEU 78 HA LEU 78 4.303 -11.842 -2.376 459 HB2 LEU 78 1HB LEU 78 6.039 -13.207 -0.287 460 HB3 LEU 78 2HB LEU 78 6.559 -12.717 -1.895 461 HG LEU 78 HG LEU 78 5.585 -10.737 0.217 462 HD11 LEU 78 1HD1 LEU 78 7.467 -12.008 1.033 463 HD12 LEU 78 2HD1 LEU 78 8.380 -11.712 -0.463 464 HD13 LEU 78 3HD1 LEU 78 8.000 -10.354 0.632 465 HD21 LEU 78 3HD2 LEU 78 6.777 -9.085 -1.163 466 HD22 LEU 78 1HD2 LEU 78 7.108 -10.337 -2.385 467 HD23 LEU 78 2HD2 LEU 78 5.432 -9.837 -2.028 468 H ALA 79 H ALA 79 3.957 -14.594 -0.142 469 HA ALA 79 HA ALA 79 4.441 -16.609 -2.055 470 HB1 ALA 79 1HB ALA 79 4.644 -16.909 0.381 471 HB2 ALA 79 2HB ALA 79 2.881 -16.742 0.563 472 HB3 ALA 79 3HB ALA 79 3.561 -18.129 -0.311 473 H GLN 80 H GLN 80 1.469 -14.843 -1.468 474 HA GLN 80 HA GLN 80 -0.255 -16.773 -2.871 475 HB2 GLN 80 1HB GLN 80 -1.052 -15.539 -0.921 476 HB3 GLN 80 2HB GLN 80 -0.794 -14.002 -1.747 477 HG2 GLN 80 1HG GLN 80 -2.505 -14.529 -3.394 478 HG3 GLN 80 2HG GLN 80 -2.658 -16.183 -2.797 479 HE21 GLN 80 2HE2 GLN 80 -4.371 -13.417 -2.849 480 HE22 GLN 80 1HE2 GLN 80 -5.192 -13.577 -1.293 481 H SER 81 H SER 81 -1.164 -16.555 -4.905 482 HA SER 81 HA SER 81 0.599 -15.375 -6.852 483 HB2 SER 81 1HB SER 81 -1.080 -16.475 -8.401 484 HB3 SER 81 2HB SER 81 -0.281 -17.545 -7.230 485 HG SER 81 HG SER 81 -2.565 -17.915 -7.358 486 H ARG 82 H ARG 82 -2.473 -14.390 -5.574 487 HA ARG 82 HA ARG 82 -2.551 -11.954 -7.241 488 HB2 ARG 82 1HB ARG 82 -3.645 -13.650 -8.661 489 HB3 ARG 82 2HB ARG 82 -4.777 -14.040 -7.357 490 HG2 ARG 82 1HG ARG 82 -5.739 -11.787 -7.465 491 HG3 ARG 82 2HG ARG 82 -4.514 -11.287 -8.645 492 HD2 ARG 82 1HD ARG 82 -5.453 -12.840 -10.295 493 HD3 ARG 82 2HD ARG 82 -6.622 -13.440 -9.114 494 HE ARG 82 HE ARG 82 -6.634 -10.826 -10.506 495 HH11 ARG 82 1HH1 ARG 82 -8.289 -12.767 -7.993 496 HH12 ARG 82 2HH1 ARG 82 -9.580 -11.570 -7.914 497 HH21 ARG 82 1HH2 ARG 82 -8.340 -9.381 -10.171 498 HH22 ARG 82 2HH2 ARG 82 -9.639 -9.871 -9.077 499 H HIS 83 H HIS 83 -3.826 -10.319 -6.457 500 HA HIS 83 HA HIS 83 -5.369 -10.687 -3.943 501 HB2 HIS 83 1HB HIS 83 -3.163 -8.659 -4.472 502 HB3 HIS 83 2HB HIS 83 -4.304 -8.541 -3.130 503 HD1 HIS 83 1HD HIS 83 -4.058 -10.497 -1.206 504 HD2 HIS 83 2HD HIS 83 -1.133 -10.363 -4.222 505 HE1 HIS 83 1HE HIS 83 -2.093 -11.913 -0.374 506 H GLU 84 H GLU 84 -6.979 -9.016 -3.594 507 HA GLU 84 HA GLU 84 -7.681 -7.255 -5.850 508 HB2 GLU 84 1HB GLU 84 -8.508 -9.559 -6.434 509 HB3 GLU 84 2HB GLU 84 -9.499 -9.531 -4.973 510 HG2 GLU 84 1HG GLU 84 -10.613 -7.426 -5.891 511 HG3 GLU 84 2HG GLU 84 -9.709 -7.683 -7.387 512 H LEU 85 H LEU 85 -8.667 -5.480 -5.148 513 HA LEU 85 HA LEU 85 -10.221 -5.403 -2.640 514 HB2 LEU 85 1HB LEU 85 -7.918 -5.080 -1.887 515 HB3 LEU 85 2HB LEU 85 -7.650 -3.848 -3.128 516 HG LEU 85 HG LEU 85 -9.254 -2.341 -1.989 517 HD11 LEU 85 1HD1 LEU 85 -10.781 -3.875 -0.883 518 HD12 LEU 85 2HD1 LEU 85 -9.456 -4.616 0.033 519 HD13 LEU 85 3HD1 LEU 85 -9.948 -2.948 0.378 520 HD21 LEU 85 3HD2 LEU 85 -7.827 -1.869 -0.035 521 HD22 LEU 85 1HD2 LEU 85 -7.077 -3.473 -0.173 522 HD23 LEU 85 2HD2 LEU 85 -6.846 -2.268 -1.457 523 H ASP 86 H ASP 86 -11.929 -4.117 -2.902 524 HA ASP 86 HA ASP 86 -13.549 -2.964 -3.940 525 HB2 ASP 86 1HB ASP 86 -12.033 -1.081 -3.283 526 HB3 ASP 86 2HB ASP 86 -11.380 -1.080 -4.919 527 H SER 87 H SER 87 -12.736 -5.201 -5.287 528 HA SER 87 HA SER 87 -13.026 -6.375 -7.205 529 HB2 SER 87 1HB SER 87 -14.482 -3.929 -8.254 530 HB3 SER 87 2HB SER 87 -14.566 -5.576 -8.887 531 HG SER 87 HG SER 87 -16.333 -5.080 -7.479 532 H LYS 88 H LYS 88 -10.647 -4.444 -6.979 533 HA LYS 88 HA LYS 88 -9.751 -4.458 -9.844 534 HB2 LYS 88 1HB LYS 88 -9.463 -2.511 -7.557 535 HB3 LYS 88 2HB LYS 88 -8.078 -2.702 -8.606 536 HG2 LYS 88 1HG LYS 88 -10.779 -2.232 -9.893 537 HG3 LYS 88 2HG LYS 88 -9.960 -0.890 -9.086 538 HD2 LYS 88 1HD LYS 88 -7.940 -1.236 -10.424 539 HD3 LYS 88 2HD LYS 88 -8.714 -2.573 -11.300 540 HE2 LYS 88 1HE LYS 88 -10.340 -1.100 -12.294 541 HE3 LYS 88 2HE LYS 88 -9.939 0.214 -11.190 542 HZ1 LYS 88 3HZ LYS 88 -8.894 0.607 -13.321 543 HZ2 LYS 88 1HZ LYS 88 -7.698 0.281 -12.242 544 HZ3 LYS 88 2HZ LYS 88 -8.168 -0.857 -13.320 545 H THR 89 H THR 89 -8.026 -5.714 -10.298 546 HA THR 89 HA THR 89 -6.739 -7.431 -8.364 547 HB THR 89 HB THR 89 -5.759 -6.663 -11.147 548 HG1 THR 89 1HG THR 89 -7.061 -8.211 -11.911 549 HG21 THR 89 3HG2 THR 89 -4.802 -8.988 -11.056 550 HG22 THR 89 1HG2 THR 89 -4.096 -7.911 -9.842 551 HG23 THR 89 2HG2 THR 89 -5.320 -9.098 -9.355 552 H ILE 90 H ILE 90 -5.154 -6.882 -6.974 553 HA ILE 90 HA ILE 90 -3.547 -4.409 -7.535 554 HB ILE 90 HB ILE 90 -3.232 -4.103 -5.184 555 HG12 ILE 90 1HG1 ILE 90 -5.028 -6.483 -4.653 556 HG13 ILE 90 2HG1 ILE 90 -3.274 -6.416 -4.414 557 HG21 ILE 90 1HG2 ILE 90 -5.249 -3.149 -6.372 558 HG22 ILE 90 2HG2 ILE 90 -6.204 -4.518 -5.773 559 HG23 ILE 90 3HG2 ILE 90 -5.523 -3.369 -4.637 560 HD11 ILE 90 3HD1 ILE 90 -4.245 -6.050 -2.284 561 HD12 ILE 90 1HD1 ILE 90 -3.635 -4.469 -2.837 562 HD13 ILE 90 2HD1 ILE 90 -5.374 -4.841 -2.913 563 H ASP 91 H ASP 91 -1.380 -4.352 -6.903 564 HA ASP 91 HA ASP 91 0.036 -6.993 -7.025 565 HB2 ASP 91 1HB ASP 91 0.020 -5.896 -9.200 566 HB3 ASP 91 2HB ASP 91 0.672 -4.420 -8.486 567 HA PRO 92 HA PRO 92 1.794 -4.753 -3.451 568 HB2 PRO 92 1HB PRO 92 1.326 -6.601 -1.503 569 HB3 PRO 92 2HB PRO 92 0.142 -5.380 -2.027 570 HG2 PRO 92 1HG PRO 92 0.127 -8.300 -2.615 571 HG3 PRO 92 2HG PRO 92 -1.235 -7.122 -2.553 572 HD2 PRO 92 1HD PRO 92 0.150 -8.094 -4.869 573 HD3 PRO 92 2HD PRO 92 -1.135 -6.865 -4.767 574 H LYS 93 H LYS 93 3.898 -4.867 -3.025 575 HA LYS 93 HA LYS 93 5.478 -7.347 -3.295 576 HB2 LYS 93 1HB LYS 93 6.720 -6.549 -5.221 577 HB3 LYS 93 2HB LYS 93 5.003 -6.528 -5.594 578 HG2 LYS 93 1HG LYS 93 5.298 -3.963 -4.686 579 HG3 LYS 93 2HG LYS 93 6.929 -4.247 -5.278 580 HD2 LYS 93 1HD LYS 93 4.327 -4.504 -6.848 581 HD3 LYS 93 2HD LYS 93 5.504 -3.194 -6.984 582 HE2 LYS 93 1HE LYS 93 7.204 -4.776 -7.840 583 HE3 LYS 93 2HE LYS 93 6.053 -6.113 -7.675 584 HZ1 LYS 93 3HZ LYS 93 6.085 -5.261 -9.942 585 HZ2 LYS 93 1HZ LYS 93 4.610 -5.012 -9.274 586 HZ3 LYS 93 2HZ LYS 93 5.654 -3.761 -9.439 587 H VAL 94 H VAL 94 7.872 -6.883 -2.972 588 HA VAL 94 HA VAL 94 8.153 -5.665 -0.414 589 HB VAL 94 HB VAL 94 10.364 -6.436 -2.365 590 HG11 VAL 94 1HG1 VAL 94 11.293 -4.975 -0.634 591 HG12 VAL 94 2HG1 VAL 94 10.463 -5.898 0.641 592 HG13 VAL 94 3HG1 VAL 94 11.777 -6.635 -0.302 593 HG21 VAL 94 3HG2 VAL 94 10.492 -8.514 -0.970 594 HG22 VAL 94 1HG2 VAL 94 9.033 -7.993 -0.101 595 HG23 VAL 94 2HG2 VAL 94 8.966 -8.371 -1.838 596 H ALA 95 H ALA 95 8.710 -3.676 0.288 597 HA ALA 95 HA ALA 95 8.827 -1.455 -1.613 598 HB1 ALA 95 1HB ALA 95 7.574 -1.278 0.505 599 HB2 ALA 95 2HB ALA 95 9.071 -1.552 1.425 600 HB3 ALA 95 3HB ALA 95 8.882 -0.084 0.445 601 H PHE 96 H PHE 96 10.612 -0.339 -2.281 602 HA PHE 96 HA PHE 96 13.227 -1.306 -2.066 603 HB2 PHE 96 1HB PHE 96 12.369 1.581 -2.468 604 HB3 PHE 96 2HB PHE 96 13.937 0.912 -2.884 605 HD1 PHE 96 1HD PHE 96 12.736 -1.759 -4.169 606 HD2 PHE 96 2HD PHE 96 11.951 2.459 -4.662 607 HE1 PHE 96 1HE PHE 96 11.939 -2.170 -6.469 608 HE2 PHE 96 2HE PHE 96 11.158 2.036 -6.969 609 HZ PHE 96 HZ PHE 96 11.142 -0.281 -7.877 610 HA PRO 97 HA PRO 97 14.225 -0.446 2.124 611 HB2 PRO 97 1HB PRO 97 16.956 -0.688 2.158 612 HB3 PRO 97 2HB PRO 97 15.850 -2.070 1.886 613 HG2 PRO 97 1HG PRO 97 17.270 -0.387 -0.208 614 HG3 PRO 97 2HG PRO 97 17.220 -2.177 -0.075 615 HD2 PRO 97 1HD PRO 97 15.527 -0.843 -1.720 616 HD3 PRO 97 2HD PRO 97 14.960 -2.258 -0.780 617 H ARG 98 H ARG 98 15.082 1.081 3.586 618 HA ARG 98 HA ARG 98 15.673 3.742 2.372 619 HB2 ARG 98 1HB ARG 98 14.470 3.299 5.111 620 HB3 ARG 98 2HB ARG 98 14.468 4.762 4.135 621 HG2 ARG 98 1HG ARG 98 12.797 2.258 3.776 622 HG3 ARG 98 2HG ARG 98 12.250 3.879 4.167 623 HD2 ARG 98 1HD ARG 98 13.350 2.938 1.492 624 HD3 ARG 98 2HD ARG 98 11.682 3.276 1.887 625 HE ARG 98 HE ARG 98 12.305 5.656 2.215 626 HH11 ARG 98 1HH1 ARG 98 14.611 3.774 0.248 627 HH12 ARG 98 2HH1 ARG 98 15.073 5.192 -0.644 628 HH21 ARG 98 1HH2 ARG 98 12.987 7.345 1.133 629 HH22 ARG 98 2HH2 ARG 98 14.186 7.223 -0.139 630 H ARG 99 H ARG 99 17.494 1.518 3.421 631 HA ARG 99 HA ARG 99 19.588 3.078 4.715 632 HB2 ARG 99 1HB ARG 99 18.090 2.659 6.588 633 HB3 ARG 99 2HB ARG 99 18.163 0.914 6.278 634 HG2 ARG 99 1HG ARG 99 20.518 0.852 6.771 635 HG3 ARG 99 2HG ARG 99 20.638 2.629 6.790 636 HD2 ARG 99 1HD ARG 99 19.289 2.772 8.799 637 HD3 ARG 99 2HD ARG 99 18.832 1.081 8.631 638 HE ARG 99 HE ARG 99 20.803 0.414 9.645 639 HH11 ARG 99 1HH1 ARG 99 21.184 3.845 8.851 640 HH12 ARG 99 2HH1 ARG 99 22.661 3.979 9.756 641 HH21 ARG 99 1HH2 ARG 99 22.702 0.662 10.795 642 HH22 ARG 99 2HH2 ARG 99 23.504 2.203 10.841 643 H ALA 100 H ALA 100 21.576 2.040 4.500 644 HA ALA 100 HA ALA 100 21.815 -0.772 3.697 645 HB1 ALA 100 1HB ALA 100 21.344 0.353 1.540 646 HB2 ALA 100 2HB ALA 100 22.672 1.498 1.836 647 HB3 ALA 100 3HB ALA 100 23.016 -0.228 1.593 648 H GLN 101 H GLN 101 24.031 -1.515 3.686 649 HA GLN 101 HA GLN 101 26.076 0.158 5.011 650 HB2 GLN 101 1HB GLN 101 24.908 -2.446 6.112 651 HB3 GLN 101 2HB GLN 101 26.449 -1.771 6.630 652 HG2 GLN 101 1HG GLN 101 25.274 0.317 7.370 653 HG3 GLN 101 2HG GLN 101 23.729 -0.434 6.956 654 HE21 GLN 101 2HE2 GLN 101 26.158 -0.160 9.438 655 HE22 GLN 101 1HE2 GLN 101 25.456 -1.368 10.504 656 HA PRO 102 HA PRO 102 28.594 -2.157 2.190 657 HB2 PRO 102 1HB PRO 102 31.098 -1.938 3.254 658 HB3 PRO 102 2HB PRO 102 30.202 -0.538 2.588 659 HG2 PRO 102 1HG PRO 102 30.402 -1.406 5.492 660 HG3 PRO 102 2HG PRO 102 30.675 0.229 4.807 661 HD2 PRO 102 1HD PRO 102 28.291 -0.484 5.904 662 HD3 PRO 102 2HD PRO 102 28.366 0.571 4.461 663 H LYS 103 H LYS 103 29.632 -4.124 1.833 664 HA LYS 103 HA LYS 103 30.240 -6.047 3.938 665 HB2 LYS 103 1HB LYS 103 27.746 -6.139 3.804 666 HB3 LYS 103 2HB LYS 103 27.867 -6.565 2.092 667 HG2 LYS 103 1HG LYS 103 29.137 -8.622 2.704 668 HG3 LYS 103 2HG LYS 103 29.013 -8.192 4.415 669 HD2 LYS 103 1HD LYS 103 26.659 -8.762 2.555 670 HD3 LYS 103 2HD LYS 103 27.376 -9.919 3.686 671 HE2 LYS 103 1HE LYS 103 26.817 -8.402 5.586 672 HE3 LYS 103 2HE LYS 103 26.045 -7.283 4.455 673 HZ1 LYS 103 3HZ LYS 103 24.418 -8.761 5.479 674 HZ2 LYS 103 1HZ LYS 103 24.475 -9.057 3.876 675 HZ3 LYS 103 2HZ LYS 103 25.186 -10.089 4.925 676 H5' G 104 H5' G 104 -5.363 -0.437 -13.251 677 H5'' G 104 H5" G 104 -3.981 -0.267 -12.170 678 H4' G 104 H4' G 104 -4.054 1.401 -14.020 679 H3' G 104 H3' G 104 -3.267 1.858 -11.401 680 H2' G 104 H2' G 104 -5.139 2.907 -10.585 681 HO2' G 104 HO2 G 104 -3.559 4.803 -11.883 682 H1' G 104 H1' G 104 -5.807 4.296 -13.168 683 H8 G 104 8H G 104 -7.170 2.308 -10.153 684 H1 G 104 1H G 104 -11.574 5.546 -13.555 685 H21 G 104 1H2 G 104 -10.595 6.343 -15.424 686 H22 G 104 2H2 G 104 -8.891 6.030 -15.710 687 HO5' G 104 H5T G 104 -5.687 -0.504 -10.799 688 H5' U 105 H5' U 105 -1.530 2.736 -10.159 689 H5'' U 105 H5" U 105 -0.577 3.948 -11.018 690 H4' U 105 H4' U 105 0.587 3.170 -9.043 691 H3' U 105 H3' U 105 1.816 3.432 -11.463 692 H2' U 105 H2' U 105 1.609 1.164 -12.091 693 HO2' U 105 HO2 U 105 4.082 1.836 -11.337 694 H1' U 105 H1' U 105 2.395 0.328 -9.301 695 H3 U 105 3H U 105 2.178 -4.039 -10.481 696 H5 U 105 5H U 105 -1.214 -2.422 -12.327 697 H6 U 105 6H U 105 -0.574 -0.223 -11.490 698 H5' A 106 H5' A 106 3.762 4.510 -7.198 699 H5'' A 106 H5" A 106 4.004 5.995 -8.107 700 H4' A 106 H4' A 106 5.159 6.302 -6.100 701 H3' A 106 H3' A 106 6.561 6.513 -8.466 702 H2' A 106 H2' A 106 7.452 4.329 -8.418 703 HO2' A 106 HO2 A 106 9.248 6.147 -7.243 704 H1' A 106 H1' A 106 8.057 4.618 -5.471 705 H8 A 106 8H A 106 6.825 2.137 -8.225 706 H61 A 106 1H6 A 106 8.993 -2.133 -4.158 707 H62 A 106 2H6 A 106 8.304 -1.959 -5.774 708 H2 A 106 2H A 106 9.512 1.756 -2.384 709 H5' G 107 H5' G 107 8.041 8.882 -3.985 710 H5'' G 107 H5" G 107 7.576 7.184 -3.849 711 H4' G 107 H4' G 107 5.893 9.300 -2.477 712 H3' G 107 H3' G 107 8.591 8.247 -1.593 713 H2' G 107 H2' G 107 7.795 8.312 0.624 714 HO2' G 107 HO2 G 107 6.650 10.520 0.019 715 H1' G 107 H1' G 107 5.095 7.714 -0.022 716 H8 G 107 8H G 107 5.060 5.953 1.841 717 H1 G 107 1H G 107 10.570 3.247 -0.128 718 H21 G 107 1H2 G 107 11.393 4.447 -1.869 719 H22 G 107 2H2 G 107 10.489 5.826 -2.459 720 H5' U 108 H5' U 108 8.624 10.171 1.381 721 H5'' U 108 H5" U 108 9.951 11.316 1.510 722 H4' U 108 H4' U 108 11.364 9.789 2.586 723 H3' U 108 H3' U 108 10.270 7.656 1.145 724 HO3' U 108 H3T U 108 11.798 7.757 3.581 725 H2' U 108 H2' U 108 8.301 7.419 2.423 726 HO2' U 108 HO2 U 108 10.335 5.936 3.740 727 H1' U 108 H1' U 108 9.823 8.057 4.944 728 H3 U 108 3H U 108 6.085 7.952 7.479 729 H5 U 108 5H U 108 4.679 9.564 3.883 730 H6 U 108 6H U 108 6.921 9.348 2.945 Start of MODEL 20 1 H CYS 20 1H CYS 20 11.338 -5.636 6.221 2 HA CYS 20 HA CYS 20 9.138 -6.535 5.852 3 HB2 CYS 20 1HB CYS 20 7.248 -5.767 7.262 4 HB3 CYS 20 2HB CYS 20 8.432 -6.629 8.224 5 HG CYS 20 HG CYS 20 7.407 -4.591 9.569 6 H LYS 21 H LYS 21 7.108 -4.778 5.542 7 HA LYS 21 HA LYS 21 6.272 -2.911 4.678 8 HB2 LYS 21 1HB LYS 21 8.136 -1.558 5.648 9 HB3 LYS 21 2HB LYS 21 8.981 -1.692 4.096 10 HG2 LYS 21 1HG LYS 21 7.200 -0.541 2.934 11 HG3 LYS 21 2HG LYS 21 6.121 -0.672 4.323 12 HD2 LYS 21 1HD LYS 21 7.639 0.846 5.614 13 HD3 LYS 21 2HD LYS 21 8.635 1.035 4.160 14 HE2 LYS 21 1HE LYS 21 6.731 1.922 2.907 15 HE3 LYS 21 2HE LYS 21 5.626 1.597 4.255 16 HZ1 LYS 21 3HZ LYS 21 6.523 3.946 3.938 17 HZ2 LYS 21 1HZ LYS 21 6.493 3.352 5.469 18 HZ3 LYS 21 2HZ LYS 21 7.911 3.415 4.608 19 H MET 22 H MET 22 5.363 -2.500 2.823 20 HA MET 22 HA MET 22 6.423 -3.682 0.306 21 HB2 MET 22 1HB MET 22 3.724 -4.264 1.608 22 HB3 MET 22 2HB MET 22 4.209 -4.760 -0.016 23 HG2 MET 22 1HG MET 22 6.157 -6.008 1.038 24 HG3 MET 22 2HG MET 22 5.469 -5.618 2.609 25 HE1 MET 22 3HE MET 22 3.989 -8.636 -0.503 26 HE2 MET 22 1HE MET 22 3.900 -6.905 -0.890 27 HE3 MET 22 2HE MET 22 5.467 -7.656 -0.513 28 H PHE 23 H PHE 23 5.793 -2.777 -1.487 29 HA PHE 23 HA PHE 23 4.214 -0.264 -1.587 30 HB2 PHE 23 1HB PHE 23 6.269 -0.295 -2.864 31 HB3 PHE 23 2HB PHE 23 5.908 -1.875 -3.545 32 HD1 PHE 23 1HD PHE 23 4.213 -2.142 -5.345 33 HD2 PHE 23 2HD PHE 23 5.189 1.729 -3.758 34 HE1 PHE 23 1HE PHE 23 3.106 -1.069 -7.281 35 HE2 PHE 23 2HE PHE 23 4.080 2.788 -5.673 36 HZ PHE 23 HZ PHE 23 3.037 1.412 -7.461 37 H ILE 24 H ILE 24 2.172 -0.233 -2.501 38 HA ILE 24 HA ILE 24 0.956 -2.868 -3.296 39 HB ILE 24 HB ILE 24 -0.537 -0.635 -1.901 40 HG12 ILE 24 1HG1 ILE 24 1.109 -1.246 -0.255 41 HG13 ILE 24 2HG1 ILE 24 -0.488 -1.795 0.192 42 HG21 ILE 24 1HG2 ILE 24 -1.825 -2.272 -3.220 43 HG22 ILE 24 2HG2 ILE 24 -1.127 -3.601 -2.286 44 HG23 ILE 24 3HG2 ILE 24 -2.172 -2.407 -1.489 45 HD11 ILE 24 3HD1 ILE 24 1.292 -3.413 0.771 46 HD12 ILE 24 1HD1 ILE 24 0.086 -4.106 -0.314 47 HD13 ILE 24 2HD1 ILE 24 1.671 -3.621 -0.939 48 H GLY 25 H GLY 25 0.971 -2.670 -5.509 49 HA2 GLY 25 1HA GLY 25 0.091 -0.148 -6.816 50 HA3 GLY 25 2HA GLY 25 0.785 -1.584 -7.593 51 H GLY 26 H GLY 26 -1.404 -0.285 -8.665 52 HA2 GLY 26 1HA GLY 26 -3.248 -0.996 -9.848 53 HA3 GLY 26 2HA GLY 26 -3.090 -2.597 -9.093 54 H LEU 27 H LEU 27 -3.474 0.173 -7.010 55 HA LEU 27 HA LEU 27 -5.914 -0.860 -5.814 56 HB2 LEU 27 1HB LEU 27 -4.544 1.849 -5.505 57 HB3 LEU 27 2HB LEU 27 -5.830 1.236 -4.488 58 HG LEU 27 HG LEU 27 -3.005 0.110 -4.649 59 HD11 LEU 27 1HD1 LEU 27 -3.332 2.282 -3.440 60 HD12 LEU 27 2HD1 LEU 27 -4.538 1.513 -2.411 61 HD13 LEU 27 3HD1 LEU 27 -2.846 0.963 -2.358 62 HD21 LEU 27 3HD2 LEU 27 -3.865 -1.253 -2.632 63 HD22 LEU 27 1HD2 LEU 27 -5.486 -0.947 -3.279 64 HD23 LEU 27 2HD2 LEU 27 -4.263 -1.784 -4.264 65 H SER 28 H SER 28 -7.828 0.570 -5.451 66 HA SER 28 HA SER 28 -8.860 1.696 -8.001 67 HB2 SER 28 1HB SER 28 -10.311 0.189 -6.749 68 HB3 SER 28 2HB SER 28 -10.141 1.179 -5.297 69 HG SER 28 HG SER 28 -12.073 1.542 -6.445 70 H TRP 29 H TRP 29 -9.578 3.878 -8.151 71 HA TRP 29 HA TRP 29 -8.281 5.895 -6.531 72 HB2 TRP 29 1HB TRP 29 -10.623 6.043 -8.442 73 HB3 TRP 29 2HB TRP 29 -9.789 7.431 -7.742 74 HD1 TRP 29 HD TRP 29 -6.939 5.493 -8.451 75 HE1 TRP 29 1HE TRP 29 -5.997 5.778 -10.801 76 HE3 TRP 29 3HE TRP 29 -11.026 7.607 -10.693 77 HZ2 TRP 29 2HZ TRP 29 -6.837 6.954 -13.310 78 HZ3 TRP 29 3HZ TRP 29 -10.941 8.253 -13.088 79 HH2 TRP 29 HH TRP 29 -8.851 7.948 -14.400 80 H GLN 30 H GLN 30 -10.962 3.893 -5.882 81 HA GLN 30 HA GLN 30 -12.078 5.720 -3.807 82 HB2 GLN 30 1HB GLN 30 -12.980 2.915 -4.484 83 HB3 GLN 30 2HB GLN 30 -13.854 4.147 -3.585 84 HG2 GLN 30 1HG GLN 30 -13.960 5.526 -5.709 85 HG3 GLN 30 2HG GLN 30 -13.277 4.143 -6.577 86 HE21 GLN 30 2HE2 GLN 30 -14.592 1.904 -5.818 87 HE22 GLN 30 1HE2 GLN 30 -16.328 2.129 -6.002 88 H THR 31 H THR 31 -9.538 3.418 -3.981 89 HA THR 31 HA THR 31 -9.942 2.065 -1.461 90 HB THR 31 HB THR 31 -7.372 2.534 -3.037 91 HG1 THR 31 1HG THR 31 -9.187 0.341 -2.974 92 HG21 THR 31 3HG2 THR 31 -6.688 0.384 -1.886 93 HG22 THR 31 1HG2 THR 31 -6.770 1.785 -0.818 94 HG23 THR 31 2HG2 THR 31 -8.076 0.576 -0.801 95 H THR 32 H THR 32 -9.153 2.499 0.539 96 HA THR 32 HA THR 32 -7.690 5.052 1.036 97 HB THR 32 HB THR 32 -8.857 5.315 3.136 98 HG1 THR 32 1HG THR 32 -10.646 3.853 3.549 99 HG21 THR 32 3HG2 THR 32 -11.071 5.897 2.400 100 HG22 THR 32 1HG2 THR 32 -9.967 6.218 1.050 101 HG23 THR 32 2HG2 THR 32 -10.993 4.770 1.030 102 H GLN 33 H GLN 33 -6.352 4.975 2.979 103 HA GLN 33 HA GLN 33 -4.819 2.529 3.151 104 HB2 GLN 33 1HB GLN 33 -3.547 3.777 4.923 105 HB3 GLN 33 2HB GLN 33 -3.615 4.444 3.304 106 HG2 GLN 33 1HG GLN 33 -5.463 6.027 4.150 107 HG3 GLN 33 2HG GLN 33 -4.988 5.512 5.775 108 HE21 GLN 33 2HE2 GLN 33 -3.462 6.979 6.666 109 HE22 GLN 33 1HE2 GLN 33 -2.336 7.908 5.692 110 H GLU 34 H GLU 34 -7.498 3.732 5.047 111 HA GLU 34 HA GLU 34 -7.263 1.709 7.138 112 HB2 GLU 34 1HB GLU 34 -9.659 3.299 6.130 113 HB3 GLU 34 2HB GLU 34 -9.673 2.218 7.531 114 HG2 GLU 34 1HG GLU 34 -7.898 3.593 8.608 115 HG3 GLU 34 2HG GLU 34 -7.937 4.709 7.241 116 H GLY 35 H GLY 35 -8.782 1.864 3.896 117 HA2 GLY 35 1HA GLY 35 -9.996 -0.751 3.935 118 HA3 GLY 35 2HA GLY 35 -9.587 0.227 2.504 119 H LEU 36 H LEU 36 -6.719 0.416 2.996 120 HA LEU 36 HA LEU 36 -5.761 -2.159 2.169 121 HB2 LEU 36 1HB LEU 36 -4.137 0.055 3.532 122 HB3 LEU 36 2HB LEU 36 -3.499 -1.339 2.691 123 HG LEU 36 HG LEU 36 -4.872 1.065 1.482 124 HD11 LEU 36 1HD1 LEU 36 -2.447 1.205 2.011 125 HD12 LEU 36 2HD1 LEU 36 -2.159 -0.230 1.003 126 HD13 LEU 36 3HD1 LEU 36 -2.750 1.264 0.264 127 HD21 LEU 36 3HD2 LEU 36 -4.582 -0.056 -0.719 128 HD22 LEU 36 1HD2 LEU 36 -4.209 -1.576 0.122 129 HD23 LEU 36 2HD2 LEU 36 -5.809 -0.805 0.298 130 H ARG 37 H ARG 37 -5.636 -0.635 5.454 131 HA ARG 37 HA ARG 37 -4.552 -2.927 6.731 132 HB2 ARG 37 1HB ARG 37 -4.753 -0.737 7.821 133 HB3 ARG 37 2HB ARG 37 -6.517 -0.858 7.817 134 HG2 ARG 37 1HG ARG 37 -6.430 -2.817 9.324 135 HG3 ARG 37 2HG ARG 37 -4.661 -2.804 9.251 136 HD2 ARG 37 1HD ARG 37 -4.747 -0.460 10.197 137 HD3 ARG 37 2HD ARG 37 -6.501 -0.659 10.358 138 HE ARG 37 HE ARG 37 -4.766 -2.698 11.670 139 HH11 ARG 37 1HH1 ARG 37 -6.615 0.288 12.204 140 HH12 ARG 37 2HH1 ARG 37 -6.845 -0.061 13.891 141 HH21 ARG 37 1HH2 ARG 37 -5.211 -3.135 13.793 142 HH22 ARG 37 2HH2 ARG 37 -6.025 -1.952 14.794 143 H GLU 38 H GLU 38 -7.957 -2.190 5.998 144 HA GLU 38 HA GLU 38 -9.126 -4.389 7.252 145 HB2 GLU 38 1HB GLU 38 -10.092 -2.282 5.849 146 HB3 GLU 38 2HB GLU 38 -10.262 -3.520 4.599 147 HG2 GLU 38 1HG GLU 38 -11.485 -4.934 6.283 148 HG3 GLU 38 2HG GLU 38 -11.311 -3.610 7.446 149 H TYR 39 H TYR 39 -7.600 -4.267 4.024 150 HA TYR 39 HA TYR 39 -8.261 -7.045 3.368 151 HB2 TYR 39 1HB TYR 39 -8.122 -5.209 1.708 152 HB3 TYR 39 2HB TYR 39 -6.397 -5.063 2.016 153 HD1 TYR 39 1HD TYR 39 -9.038 -7.522 0.984 154 HD2 TYR 39 2HD TYR 39 -4.861 -6.465 0.827 155 HE1 TYR 39 1HE TYR 39 -8.616 -9.441 -0.533 156 HE2 TYR 39 2HE TYR 39 -4.432 -8.370 -0.702 157 HH TYR 39 HH TYR 39 -7.057 -10.656 -1.659 158 H PHE 40 H PHE 40 -5.360 -5.262 4.409 159 HA PHE 40 HA PHE 40 -3.672 -7.606 4.166 160 HB2 PHE 40 1HB PHE 40 -3.200 -4.712 4.849 161 HB3 PHE 40 2HB PHE 40 -1.932 -5.874 5.086 162 HD1 PHE 40 1HD PHE 40 -1.675 -7.633 2.969 163 HD2 PHE 40 2HD PHE 40 -3.302 -3.653 2.717 164 HE1 PHE 40 1HE PHE 40 -1.289 -7.626 0.522 165 HE2 PHE 40 2HE PHE 40 -2.933 -3.656 0.275 166 HZ PHE 40 HZ PHE 40 -1.927 -5.641 -0.834 167 H GLY 41 H GLY 41 -5.355 -6.152 6.857 168 HA2 GLY 41 1HA GLY 41 -3.972 -7.398 9.017 169 HA3 GLY 41 2HA GLY 41 -5.668 -6.883 9.003 170 H GLN 42 H GLN 42 -5.827 -8.877 6.536 171 HA GLN 42 HA GLN 42 -6.677 -11.243 8.012 172 HB2 GLN 42 1HB GLN 42 -6.300 -10.944 5.012 173 HB3 GLN 42 2HB GLN 42 -7.345 -12.078 5.861 174 HG2 GLN 42 1HG GLN 42 -7.713 -9.066 5.607 175 HG3 GLN 42 2HG GLN 42 -8.671 -10.305 4.832 176 HE21 GLN 42 2HE2 GLN 42 -9.450 -8.048 6.685 177 HE22 GLN 42 1HE2 GLN 42 -10.304 -8.856 8.000 178 H PHE 43 H PHE 43 -3.673 -10.206 6.557 179 HA PHE 43 HA PHE 43 -2.495 -12.946 6.681 180 HB2 PHE 43 1HB PHE 43 -1.330 -10.374 5.550 181 HB3 PHE 43 2HB PHE 43 -0.691 -11.991 5.378 182 HD1 PHE 43 1HD PHE 43 -1.861 -13.658 3.844 183 HD2 PHE 43 2HD PHE 43 -3.118 -9.567 4.173 184 HE1 PHE 43 1HE PHE 43 -3.163 -13.888 1.746 185 HE2 PHE 43 2HE PHE 43 -4.432 -9.785 2.079 186 HZ PHE 43 HZ PHE 43 -4.469 -11.957 0.870 187 H GLY 44 H GLY 44 -2.105 -9.612 7.931 188 HA2 GLY 44 1HA GLY 44 -1.295 -10.449 10.535 189 HA3 GLY 44 2HA GLY 44 0.133 -9.963 9.637 190 H GLU 45 H GLU 45 -1.018 -8.629 11.986 191 HA GLU 45 HA GLU 45 -2.499 -6.312 11.217 192 HB2 GLU 45 1HB GLU 45 -2.415 -7.193 13.522 193 HB3 GLU 45 2HB GLU 45 -0.712 -6.751 13.642 194 HG2 GLU 45 1HG GLU 45 -2.169 -5.139 14.779 195 HG3 GLU 45 2HG GLU 45 -1.270 -4.373 13.479 196 H VAL 46 H VAL 46 -1.868 -4.139 10.982 197 HA VAL 46 HA VAL 46 0.785 -3.921 9.675 198 HB VAL 46 HB VAL 46 -0.077 -2.244 8.280 199 HG11 VAL 46 1HG1 VAL 46 -0.511 -4.606 7.639 200 HG12 VAL 46 2HG1 VAL 46 -2.124 -4.498 8.384 201 HG13 VAL 46 3HG1 VAL 46 -1.725 -3.492 6.986 202 HG21 VAL 46 3HG2 VAL 46 -2.495 -1.613 8.255 203 HG22 VAL 46 1HG2 VAL 46 -2.617 -2.316 9.889 204 HG23 VAL 46 2HG2 VAL 46 -1.546 -0.932 9.585 205 H LYS 47 H LYS 47 2.215 -2.510 10.168 206 HA LYS 47 HA LYS 47 2.107 -0.986 12.690 207 HB2 LYS 47 1HB LYS 47 3.978 -2.514 11.986 208 HB3 LYS 47 2HB LYS 47 4.320 -1.443 10.631 209 HG2 LYS 47 1HG LYS 47 4.934 0.370 12.167 210 HG3 LYS 47 2HG LYS 47 4.422 -0.610 13.555 211 HD2 LYS 47 1HD LYS 47 6.180 -2.295 12.984 212 HD3 LYS 47 2HD LYS 47 6.704 -1.263 11.634 213 HE2 LYS 47 1HE LYS 47 7.178 0.580 13.251 214 HE3 LYS 47 2HE LYS 47 6.657 -0.459 14.583 215 HZ1 LYS 47 3HZ LYS 47 9.068 -0.473 14.339 216 HZ2 LYS 47 1HZ LYS 47 8.487 -1.968 14.036 217 HZ3 LYS 47 2HZ LYS 47 8.969 -1.008 12.800 218 H GLU 48 H GLU 48 1.863 -0.393 9.273 219 HA GLU 48 HA GLU 48 1.216 2.419 9.547 220 HB2 GLU 48 1HB GLU 48 3.687 2.551 9.633 221 HB3 GLU 48 2HB GLU 48 3.801 1.601 8.156 222 HG2 GLU 48 1HG GLU 48 2.766 3.399 6.857 223 HG3 GLU 48 2HG GLU 48 2.508 4.341 8.332 224 H CYS 49 H CYS 49 0.154 3.151 7.656 225 HA CYS 49 HA CYS 49 0.094 1.510 5.241 226 HB2 CYS 49 1HB CYS 49 -2.403 1.284 5.276 227 HB3 CYS 49 2HB CYS 49 -1.584 0.341 6.526 228 HG CYS 49 HG CYS 49 -1.922 2.059 8.479 229 H LEU 50 H LEU 50 -0.435 2.658 3.435 230 HA LEU 50 HA LEU 50 -1.098 5.554 3.649 231 HB2 LEU 50 1HB LEU 50 1.382 4.258 2.481 232 HB3 LEU 50 2HB LEU 50 0.844 5.840 1.960 233 HG LEU 50 HG LEU 50 1.709 5.160 4.794 234 HD11 LEU 50 1HD1 LEU 50 3.549 5.102 3.146 235 HD12 LEU 50 2HD1 LEU 50 3.086 6.700 2.530 236 HD13 LEU 50 3HD1 LEU 50 3.698 6.522 4.190 237 HD21 LEU 50 3HD2 LEU 50 1.680 7.641 5.099 238 HD22 LEU 50 1HD2 LEU 50 0.954 7.823 3.487 239 HD23 LEU 50 2HD2 LEU 50 0.064 7.009 4.793 240 H VAL 51 H VAL 51 -2.170 6.357 1.935 241 HA VAL 51 HA VAL 51 -2.002 4.989 -0.716 242 HB VAL 51 HB VAL 51 -4.599 5.977 0.546 243 HG11 VAL 51 1HG1 VAL 51 -4.509 6.674 -1.828 244 HG12 VAL 51 2HG1 VAL 51 -4.055 5.026 -2.308 245 HG13 VAL 51 3HG1 VAL 51 -5.657 5.355 -1.618 246 HG21 VAL 51 3HG2 VAL 51 -5.388 3.670 0.069 247 HG22 VAL 51 1HG2 VAL 51 -3.769 3.237 -0.512 248 HG23 VAL 51 2HG2 VAL 51 -4.026 3.667 1.193 249 H MET 52 H MET 52 -1.504 6.376 -2.288 250 HA MET 52 HA MET 52 -0.736 9.075 -1.439 251 HB2 MET 52 1HB MET 52 -0.169 7.444 -3.936 252 HB3 MET 52 2HB MET 52 0.508 9.048 -3.600 253 HG2 MET 52 1HG MET 52 0.910 6.705 -1.707 254 HG3 MET 52 2HG MET 52 1.978 7.078 -3.035 255 HE1 MET 52 3HE MET 52 2.137 8.712 1.072 256 HE2 MET 52 1HE MET 52 0.611 8.127 0.364 257 HE3 MET 52 2HE MET 52 2.045 7.064 0.403 258 H ARG 53 H ARG 53 -3.272 9.393 -1.321 259 HA ARG 53 HA ARG 53 -4.533 10.277 -3.792 260 HB2 ARG 53 1HB ARG 53 -5.330 10.238 -0.915 261 HB3 ARG 53 2HB ARG 53 -6.156 11.356 -2.019 262 HG2 ARG 53 1HG ARG 53 -6.699 9.523 -3.541 263 HG3 ARG 53 2HG ARG 53 -5.945 8.358 -2.433 264 HD2 ARG 53 1HD ARG 53 -8.359 10.123 -1.866 265 HD3 ARG 53 2HD ARG 53 -8.399 8.389 -2.227 266 HE ARG 53 HE ARG 53 -6.705 8.649 -0.018 267 HH11 ARG 53 1HH1 ARG 53 -10.126 9.267 -0.657 268 HH12 ARG 53 2HH1 ARG 53 -10.562 9.126 1.019 269 HH21 ARG 53 1HH2 ARG 53 -7.325 8.537 2.140 270 HH22 ARG 53 2HH2 ARG 53 -8.999 8.697 2.573 271 H ASP 54 H ASP 54 -4.322 12.035 -4.835 272 HA ASP 54 HA ASP 54 -2.913 14.398 -3.918 273 HB2 ASP 54 1HB ASP 54 -2.967 13.655 -6.267 274 HB3 ASP 54 2HB ASP 54 -4.717 13.860 -6.310 275 HA PRO 55 HA PRO 55 -6.556 15.816 -1.801 276 HB2 PRO 55 1HB PRO 55 -5.754 18.251 -0.836 277 HB3 PRO 55 2HB PRO 55 -5.055 16.703 -0.271 278 HG2 PRO 55 1HG PRO 55 -3.945 18.584 -2.378 279 HG3 PRO 55 2HG PRO 55 -3.086 17.856 -0.986 280 HD2 PRO 55 1HD PRO 55 -2.980 16.779 -3.501 281 HD3 PRO 55 2HD PRO 55 -2.977 15.753 -2.033 282 H LEU 56 H LEU 56 -5.528 17.437 -4.711 283 HA LEU 56 HA LEU 56 -7.858 19.297 -4.715 284 HB2 LEU 56 1HB LEU 56 -5.359 18.958 -6.417 285 HB3 LEU 56 2HB LEU 56 -6.764 19.790 -7.038 286 HG LEU 56 HG LEU 56 -6.686 21.430 -5.197 287 HD11 LEU 56 1HD1 LEU 56 -5.578 20.211 -3.399 288 HD12 LEU 56 2HD1 LEU 56 -4.109 20.011 -4.389 289 HD13 LEU 56 3HD1 LEU 56 -4.603 21.620 -3.818 290 HD21 LEU 56 3HD2 LEU 56 -4.699 22.634 -6.025 291 HD22 LEU 56 1HD2 LEU 56 -4.074 21.135 -6.745 292 HD23 LEU 56 2HD2 LEU 56 -5.573 21.865 -7.359 293 H THR 57 H THR 57 -6.551 16.456 -6.473 294 HA THR 57 HA THR 57 -9.051 16.346 -8.115 295 HB THR 57 HB THR 57 -7.842 15.011 -9.641 296 HG1 THR 57 1HG THR 57 -5.613 14.537 -9.229 297 HG21 THR 57 3HG2 THR 57 -6.143 16.542 -10.443 298 HG22 THR 57 1HG2 THR 57 -7.490 17.485 -9.784 299 HG23 THR 57 2HG2 THR 57 -5.990 17.298 -8.845 300 H LYS 58 H LYS 58 -7.681 14.831 -5.455 301 HA LYS 58 HA LYS 58 -8.335 13.186 -4.096 302 HB2 LYS 58 1HB LYS 58 -10.796 12.533 -5.690 303 HB3 LYS 58 2HB LYS 58 -10.557 12.540 -3.957 304 HG2 LYS 58 1HG LYS 58 -11.112 14.865 -5.814 305 HG3 LYS 58 2HG LYS 58 -12.081 14.272 -4.486 306 HD2 LYS 58 1HD LYS 58 -9.479 15.843 -4.270 307 HD3 LYS 58 2HD LYS 58 -11.110 16.414 -3.959 308 HE2 LYS 58 1HE LYS 58 -11.296 14.638 -2.129 309 HE3 LYS 58 2HE LYS 58 -9.567 14.330 -2.353 310 HZ1 LYS 58 3HZ LYS 58 -9.891 15.925 -0.585 311 HZ2 LYS 58 1HZ LYS 58 -9.202 16.727 -1.842 312 HZ3 LYS 58 2HZ LYS 58 -10.794 16.905 -1.528 313 H ARG 59 H ARG 59 -7.318 12.581 -7.128 314 HA ARG 59 HA ARG 59 -7.739 9.707 -7.329 315 HB2 ARG 59 1HB ARG 59 -5.681 11.453 -8.742 316 HB3 ARG 59 2HB ARG 59 -6.133 9.801 -9.162 317 HG2 ARG 59 1HG ARG 59 -7.780 12.317 -9.465 318 HG3 ARG 59 2HG ARG 59 -7.191 11.203 -10.707 319 HD2 ARG 59 1HD ARG 59 -8.697 9.435 -9.590 320 HD3 ARG 59 2HD ARG 59 -9.461 10.772 -8.727 321 HE ARG 59 HE ARG 59 -9.720 10.042 -11.536 322 HH11 ARG 59 1HH1 ARG 59 -10.125 12.841 -9.351 323 HH12 ARG 59 2HH1 ARG 59 -11.279 13.573 -10.419 324 HH21 ARG 59 1HH2 ARG 59 -11.172 11.101 -12.844 325 HH22 ARG 59 2HH2 ARG 59 -11.844 12.627 -12.360 326 H SER 60 H SER 60 -6.539 8.114 -6.698 327 HA SER 60 HA SER 60 -4.391 8.518 -4.689 328 HB2 SER 60 1HB SER 60 -4.763 6.167 -4.243 329 HB3 SER 60 2HB SER 60 -6.324 7.011 -4.313 330 HG SER 60 HG SER 60 -6.357 5.045 -5.535 331 H ARG 61 H ARG 61 -4.361 8.323 -7.970 332 HA ARG 61 HA ARG 61 -3.005 7.596 -9.627 333 HB2 ARG 61 1HB ARG 61 -0.917 7.723 -7.416 334 HB3 ARG 61 2HB ARG 61 -0.527 7.240 -9.063 335 HG2 ARG 61 1HG ARG 61 -1.341 9.370 -9.955 336 HG3 ARG 61 2HG ARG 61 -1.823 9.892 -8.332 337 HD2 ARG 61 1HD ARG 61 0.337 10.885 -9.012 338 HD3 ARG 61 2HD ARG 61 0.477 9.868 -7.569 339 HE ARG 61 HE ARG 61 1.068 8.509 -10.113 340 HH11 ARG 61 1HH1 ARG 61 2.610 10.351 -7.472 341 HH12 ARG 61 2HH1 ARG 61 4.073 9.380 -7.633 342 HH21 ARG 61 1HH2 ARG 61 3.027 7.307 -10.083 343 HH22 ARG 61 2HH2 ARG 61 4.294 7.869 -9.007 344 H GLY 62 H GLY 62 -4.325 5.580 -7.574 345 HA2 GLY 62 1HA GLY 62 -4.738 3.327 -7.648 346 HA3 GLY 62 2HA GLY 62 -3.711 3.211 -9.094 347 H PHE 63 H PHE 63 -2.359 4.463 -6.022 348 HA PHE 63 HA PHE 63 -1.400 1.821 -5.280 349 HB2 PHE 63 1HB PHE 63 0.856 2.000 -5.702 350 HB3 PHE 63 2HB PHE 63 0.159 2.646 -7.163 351 HD1 PHE 63 1HD PHE 63 0.194 5.177 -7.536 352 HD2 PHE 63 2HD PHE 63 2.191 3.304 -4.205 353 HE1 PHE 63 1HE PHE 63 1.514 7.242 -7.147 354 HE2 PHE 63 2HE PHE 63 3.550 5.347 -3.877 355 HZ PHE 63 HZ PHE 63 3.212 7.317 -5.313 356 H GLY 64 H GLY 64 -0.038 1.718 -3.460 357 HA2 GLY 64 1HA GLY 64 0.251 3.999 -1.627 358 HA3 GLY 64 2HA GLY 64 -0.900 2.774 -1.123 359 H PHE 65 H PHE 65 0.490 2.479 0.706 360 HA PHE 65 HA PHE 65 2.608 0.454 0.310 361 HB2 PHE 65 1HB PHE 65 3.044 3.161 1.619 362 HB3 PHE 65 2HB PHE 65 4.002 1.770 2.051 363 HD1 PHE 65 1HD PHE 65 3.301 4.230 -0.655 364 HD2 PHE 65 2HD PHE 65 5.679 0.841 0.601 365 HE1 PHE 65 1HE PHE 65 4.981 4.737 -2.398 366 HE2 PHE 65 2HE PHE 65 7.333 1.357 -1.170 367 HZ PHE 65 HZ PHE 65 6.990 3.344 -2.644 368 H VAL 66 H VAL 66 2.959 -0.847 2.125 369 HA VAL 66 HA VAL 66 1.437 -0.304 4.629 370 HB VAL 66 HB VAL 66 1.169 -2.879 3.023 371 HG11 VAL 66 1HG1 VAL 66 1.391 -3.504 5.391 372 HG12 VAL 66 2HG1 VAL 66 0.186 -2.276 5.844 373 HG13 VAL 66 3HG1 VAL 66 -0.283 -3.693 4.879 374 HG21 VAL 66 3HG2 VAL 66 -1.256 -2.414 3.132 375 HG22 VAL 66 1HG2 VAL 66 -0.941 -0.895 3.996 376 HG23 VAL 66 2HG2 VAL 66 -0.405 -1.108 2.318 377 H THR 67 H THR 67 2.544 -0.807 6.396 378 HA THR 67 HA THR 67 4.970 -2.574 6.254 379 HB THR 67 HB THR 67 4.374 -0.519 8.409 380 HG1 THR 67 1HG THR 67 5.793 0.816 7.301 381 HG21 THR 67 3HG2 THR 67 6.824 -0.735 8.818 382 HG22 THR 67 1HG2 THR 67 5.986 -2.273 9.053 383 HG23 THR 67 2HG2 THR 67 6.913 -1.995 7.570 384 H PHE 68 H PHE 68 4.991 -4.320 7.607 385 HA PHE 68 HA PHE 68 2.494 -4.901 9.126 386 HB2 PHE 68 1HB PHE 68 4.661 -6.675 7.974 387 HB3 PHE 68 2HB PHE 68 3.371 -7.246 9.025 388 HD1 PHE 68 2HD PHE 68 4.067 -5.746 5.677 389 HD2 PHE 68 1HD PHE 68 1.123 -7.561 8.249 390 HE1 PHE 68 2HE PHE 68 2.540 -6.010 3.741 391 HE2 PHE 68 1HE PHE 68 -0.403 -7.825 6.311 392 HZ PHE 68 HZ PHE 68 0.307 -7.045 4.057 393 H MET 69 H MET 69 2.557 -5.663 11.244 394 HA MET 69 HA MET 69 4.698 -4.682 12.957 395 HB2 MET 69 1HB MET 69 2.303 -6.472 13.564 396 HB3 MET 69 2HB MET 69 3.390 -5.757 14.754 397 HG2 MET 69 1HG MET 69 2.771 -3.474 13.654 398 HG3 MET 69 2HG MET 69 1.441 -4.357 12.912 399 HE1 MET 69 3HE MET 69 1.962 -3.281 17.370 400 HE2 MET 69 1HE MET 69 3.138 -4.324 16.550 401 HE3 MET 69 2HE MET 69 2.911 -2.646 16.010 402 H ASP 70 H ASP 70 4.558 -7.410 11.097 403 HA ASP 70 HA ASP 70 6.902 -8.638 12.315 404 HB2 ASP 70 1HB ASP 70 5.894 -10.882 12.474 405 HB3 ASP 70 2HB ASP 70 5.179 -9.749 13.609 406 H GLN 71 H GLN 71 7.922 -10.205 10.891 407 HA GLN 71 HA GLN 71 7.687 -9.433 8.110 408 HB2 GLN 71 1HB GLN 71 9.807 -10.007 9.330 409 HB3 GLN 71 2HB GLN 71 9.291 -11.686 9.391 410 HG2 GLN 71 1HG GLN 71 10.900 -11.352 7.585 411 HG3 GLN 71 2HG GLN 71 9.347 -11.844 6.939 412 HE21 GLN 71 2HE2 GLN 71 10.134 -10.983 4.847 413 HE22 GLN 71 1HE2 GLN 71 10.089 -9.251 4.569 414 H ALA 72 H ALA 72 6.399 -12.128 9.976 415 HA ALA 72 HA ALA 72 5.885 -13.946 7.857 416 HB1 ALA 72 1HB ALA 72 5.750 -14.528 10.255 417 HB2 ALA 72 2HB ALA 72 4.299 -13.512 10.426 418 HB3 ALA 72 3HB ALA 72 4.259 -14.954 9.395 419 H GLY 73 H GLY 73 3.955 -11.088 8.865 420 HA2 GLY 73 1HA GLY 73 1.755 -11.570 7.079 421 HA3 GLY 73 2HA GLY 73 2.258 -9.994 7.724 422 H VAL 74 H VAL 74 4.959 -10.208 6.494 423 HA VAL 74 HA VAL 74 4.333 -9.226 3.796 424 HB VAL 74 HB VAL 74 6.998 -9.735 5.174 425 HG11 VAL 74 1HG1 VAL 74 7.409 -10.051 2.816 426 HG12 VAL 74 2HG1 VAL 74 6.507 -8.578 2.409 427 HG13 VAL 74 3HG1 VAL 74 8.037 -8.477 3.301 428 HG21 VAL 74 3HG2 VAL 74 7.162 -7.281 5.180 429 HG22 VAL 74 1HG2 VAL 74 5.550 -7.165 4.450 430 HG23 VAL 74 2HG2 VAL 74 5.750 -7.833 6.088 431 H ASP 75 H ASP 75 5.928 -12.131 5.232 432 HA ASP 75 HA ASP 75 6.553 -13.505 2.866 433 HB2 ASP 75 1HB ASP 75 7.177 -14.081 5.273 434 HB3 ASP 75 2HB ASP 75 5.574 -14.754 5.468 435 H LYS 76 H LYS 76 3.490 -13.564 4.724 436 HA LYS 76 HA LYS 76 2.151 -15.528 3.137 437 HB2 LYS 76 1HB LYS 76 1.212 -13.255 4.919 438 HB3 LYS 76 2HB LYS 76 0.107 -14.427 4.186 439 HG2 LYS 76 1HG LYS 76 0.999 -16.258 5.387 440 HG3 LYS 76 2HG LYS 76 2.419 -15.338 5.933 441 HD2 LYS 76 1HD LYS 76 1.042 -13.886 7.304 442 HD3 LYS 76 2HD LYS 76 -0.457 -14.546 6.616 443 HE2 LYS 76 1HE LYS 76 -0.053 -16.704 7.626 444 HE3 LYS 76 2HE LYS 76 1.533 -16.181 8.231 445 HZ1 LYS 76 3HZ LYS 76 -0.157 -16.037 9.968 446 HZ2 LYS 76 1HZ LYS 76 0.365 -14.527 9.602 447 HZ3 LYS 76 2HZ LYS 76 -1.082 -15.038 9.057 448 H VAL 77 H VAL 77 2.375 -12.006 2.713 449 HA VAL 77 HA VAL 77 0.346 -11.911 0.643 450 HB VAL 77 HB VAL 77 2.490 -9.912 1.403 451 HG11 VAL 77 1HG1 VAL 77 1.918 -9.495 -0.969 452 HG12 VAL 77 2HG1 VAL 77 0.188 -9.526 -0.566 453 HG13 VAL 77 3HG1 VAL 77 1.235 -8.239 0.066 454 HG21 VAL 77 3HG2 VAL 77 0.591 -8.686 2.387 455 HG22 VAL 77 1HG2 VAL 77 -0.556 -9.892 1.763 456 HG23 VAL 77 2HG2 VAL 77 0.580 -10.332 3.037 457 H LEU 78 H LEU 78 3.924 -12.166 0.589 458 HA LEU 78 HA LEU 78 4.188 -12.126 -2.291 459 HB2 LEU 78 1HB LEU 78 5.927 -13.416 -0.156 460 HB3 LEU 78 2HB LEU 78 6.437 -13.033 -1.797 461 HG LEU 78 HG LEU 78 5.543 -10.911 0.207 462 HD11 LEU 78 1HD1 LEU 78 7.421 -12.205 1.057 463 HD12 LEU 78 2HD1 LEU 78 8.299 -12.018 -0.472 464 HD13 LEU 78 3HD1 LEU 78 7.995 -10.591 0.559 465 HD21 LEU 78 3HD2 LEU 78 6.772 -9.378 -1.286 466 HD22 LEU 78 1HD2 LEU 78 7.062 -10.710 -2.426 467 HD23 LEU 78 2HD2 LEU 78 5.402 -10.143 -2.101 468 H ALA 79 H ALA 79 3.792 -14.733 0.084 469 HA ALA 79 HA ALA 79 4.161 -16.877 -1.700 470 HB1 ALA 79 1HB ALA 79 4.324 -17.063 0.745 471 HB2 ALA 79 2HB ALA 79 2.575 -16.770 0.904 472 HB3 ALA 79 3HB ALA 79 3.167 -18.245 0.114 473 H GLN 80 H GLN 80 1.481 -14.753 -1.670 474 HA GLN 80 HA GLN 80 -0.325 -16.721 -3.005 475 HB2 GLN 80 1HB GLN 80 -1.210 -15.624 -0.998 476 HB3 GLN 80 2HB GLN 80 -0.917 -14.032 -1.705 477 HG2 GLN 80 1HG GLN 80 -2.545 -14.457 -3.470 478 HG3 GLN 80 2HG GLN 80 -2.742 -16.136 -2.961 479 HE21 GLN 80 2HE2 GLN 80 -4.497 -13.445 -3.013 480 HE22 GLN 80 1HE2 GLN 80 -5.357 -13.626 -1.481 481 H SER 81 H SER 81 -0.994 -16.362 -5.127 482 HA SER 81 HA SER 81 0.857 -14.666 -6.647 483 HB2 SER 81 1HB SER 81 0.361 -17.129 -7.038 484 HB3 SER 81 2HB SER 81 -1.187 -16.623 -7.729 485 HG SER 81 HG SER 81 0.065 -15.320 -9.230 486 H ARG 82 H ARG 82 -2.265 -14.016 -5.535 487 HA ARG 82 HA ARG 82 -2.648 -11.779 -7.355 488 HB2 ARG 82 1HB ARG 82 -3.485 -13.741 -8.676 489 HB3 ARG 82 2HB ARG 82 -4.669 -14.065 -7.410 490 HG2 ARG 82 1HG ARG 82 -5.762 -11.909 -7.822 491 HG3 ARG 82 2HG ARG 82 -4.499 -11.438 -8.972 492 HD2 ARG 82 1HD ARG 82 -6.329 -13.848 -9.306 493 HD3 ARG 82 2HD ARG 82 -6.660 -12.247 -9.993 494 HE ARG 82 HE ARG 82 -4.079 -12.917 -10.842 495 HH11 ARG 82 1HH1 ARG 82 -7.322 -14.226 -11.371 496 HH12 ARG 82 2HH1 ARG 82 -6.904 -14.877 -12.928 497 HH21 ARG 82 1HH2 ARG 82 -3.604 -13.784 -12.852 498 HH22 ARG 82 2HH2 ARG 82 -4.829 -14.624 -13.753 499 H HIS 83 H HIS 83 -4.110 -10.266 -6.589 500 HA HIS 83 HA HIS 83 -5.600 -10.732 -4.062 501 HB2 HIS 83 1HB HIS 83 -3.399 -8.682 -4.532 502 HB3 HIS 83 2HB HIS 83 -4.522 -8.623 -3.171 503 HD1 HIS 83 1HD HIS 83 -4.222 -10.649 -1.323 504 HD2 HIS 83 2HD HIS 83 -1.294 -10.255 -4.314 505 HE1 HIS 83 1HE HIS 83 -2.179 -11.965 -0.514 506 H GLU 84 H GLU 84 -7.185 -8.986 -3.633 507 HA GLU 84 HA GLU 84 -7.814 -7.114 -5.821 508 HB2 GLU 84 1HB GLU 84 -8.697 -9.399 -6.504 509 HB3 GLU 84 2HB GLU 84 -9.758 -9.334 -5.093 510 HG2 GLU 84 1HG GLU 84 -10.699 -7.156 -6.029 511 HG3 GLU 84 2HG GLU 84 -9.724 -7.432 -7.475 512 H LEU 85 H LEU 85 -8.799 -5.361 -5.086 513 HA LEU 85 HA LEU 85 -10.380 -5.328 -2.595 514 HB2 LEU 85 1HB LEU 85 -8.074 -5.072 -1.805 515 HB3 LEU 85 2HB LEU 85 -7.771 -3.811 -3.008 516 HG LEU 85 HG LEU 85 -9.393 -2.322 -1.842 517 HD11 LEU 85 1HD1 LEU 85 -10.896 -3.906 -0.754 518 HD12 LEU 85 2HD1 LEU 85 -9.552 -4.626 0.154 519 HD13 LEU 85 3HD1 LEU 85 -10.076 -2.970 0.508 520 HD21 LEU 85 3HD2 LEU 85 -7.951 -1.882 0.103 521 HD22 LEU 85 1HD2 LEU 85 -7.194 -3.480 -0.071 522 HD23 LEU 85 2HD2 LEU 85 -6.983 -2.249 -1.336 523 H ASP 86 H ASP 86 -12.030 -3.929 -2.793 524 HA ASP 86 HA ASP 86 -13.617 -2.719 -3.821 525 HB2 ASP 86 1HB ASP 86 -12.010 -0.888 -3.201 526 HB3 ASP 86 2HB ASP 86 -11.403 -0.919 -4.855 527 H SER 87 H SER 87 -12.788 -4.997 -5.193 528 HA SER 87 HA SER 87 -13.056 -6.154 -7.126 529 HB2 SER 87 1HB SER 87 -14.582 -3.739 -8.147 530 HB3 SER 87 2HB SER 87 -14.621 -5.382 -8.793 531 HG SER 87 HG SER 87 -16.398 -4.948 -7.379 532 H LYS 88 H LYS 88 -10.712 -4.189 -6.869 533 HA LYS 88 HA LYS 88 -9.820 -4.196 -9.733 534 HB2 LYS 88 1HB LYS 88 -9.435 -2.239 -7.452 535 HB3 LYS 88 2HB LYS 88 -8.164 -2.401 -8.651 536 HG2 LYS 88 1HG LYS 88 -11.017 -1.952 -9.576 537 HG3 LYS 88 2HG LYS 88 -10.057 -0.604 -8.954 538 HD2 LYS 88 1HD LYS 88 -8.326 -0.929 -10.597 539 HD3 LYS 88 2HD LYS 88 -9.099 -2.403 -11.216 540 HE2 LYS 88 1HE LYS 88 -10.981 -1.179 -12.077 541 HE3 LYS 88 2HE LYS 88 -10.526 0.290 -11.220 542 HZ1 LYS 88 3HZ LYS 88 -9.873 0.420 -13.550 543 HZ2 LYS 88 1HZ LYS 88 -8.514 0.395 -12.636 544 HZ3 LYS 88 2HZ LYS 88 -8.986 -0.946 -13.443 545 H THR 89 H THR 89 -8.102 -5.425 -10.172 546 HA THR 89 HA THR 89 -7.016 -7.228 -8.184 547 HB THR 89 HB THR 89 -6.038 -6.763 -11.025 548 HG1 THR 89 1HG THR 89 -7.536 -8.402 -11.524 549 HG21 THR 89 3HG2 THR 89 -5.347 -9.135 -10.857 550 HG22 THR 89 1HG2 THR 89 -4.550 -8.176 -9.601 551 HG23 THR 89 2HG2 THR 89 -5.938 -9.203 -9.181 552 H ILE 90 H ILE 90 -5.402 -6.792 -6.816 553 HA ILE 90 HA ILE 90 -3.678 -4.413 -7.362 554 HB ILE 90 HB ILE 90 -3.318 -4.151 -5.042 555 HG12 ILE 90 1HG1 ILE 90 -4.969 -6.619 -4.477 556 HG13 ILE 90 2HG1 ILE 90 -3.210 -6.458 -4.304 557 HG21 ILE 90 1HG2 ILE 90 -5.464 -3.272 -6.082 558 HG22 ILE 90 2HG2 ILE 90 -6.303 -4.696 -5.434 559 HG23 ILE 90 3HG2 ILE 90 -5.592 -3.523 -4.339 560 HD11 ILE 90 3HD1 ILE 90 -4.084 -6.180 -2.131 561 HD12 ILE 90 1HD1 ILE 90 -3.630 -4.549 -2.684 562 HD13 ILE 90 2HD1 ILE 90 -5.338 -5.055 -2.678 563 H ASP 91 H ASP 91 -1.481 -4.448 -6.855 564 HA ASP 91 HA ASP 91 -0.162 -7.120 -7.200 565 HB2 ASP 91 1HB ASP 91 -0.489 -5.993 -9.345 566 HB3 ASP 91 2HB ASP 91 0.320 -4.552 -8.730 567 HA PRO 92 HA PRO 92 1.943 -4.806 -3.855 568 HB2 PRO 92 1HB PRO 92 1.621 -6.579 -1.780 569 HB3 PRO 92 2HB PRO 92 0.419 -5.353 -2.262 570 HG2 PRO 92 1HG PRO 92 0.342 -8.296 -2.744 571 HG3 PRO 92 2HG PRO 92 -1.008 -7.110 -2.596 572 HD2 PRO 92 1HD PRO 92 0.106 -8.167 -4.996 573 HD3 PRO 92 2HD PRO 92 -1.097 -6.869 -4.806 574 H LYS 93 H LYS 93 3.996 -5.005 -3.061 575 HA LYS 93 HA LYS 93 5.658 -7.393 -3.465 576 HB2 LYS 93 1HB LYS 93 7.072 -6.311 -5.190 577 HB3 LYS 93 2HB LYS 93 5.421 -6.568 -5.750 578 HG2 LYS 93 1HG LYS 93 4.890 -4.181 -5.273 579 HG3 LYS 93 2HG LYS 93 6.540 -3.928 -4.703 580 HD2 LYS 93 1HD LYS 93 6.411 -3.064 -6.935 581 HD3 LYS 93 2HD LYS 93 7.390 -4.529 -6.970 582 HE2 LYS 93 1HE LYS 93 5.976 -4.602 -8.888 583 HE3 LYS 93 2HE LYS 93 5.354 -5.806 -7.762 584 HZ1 LYS 93 3HZ LYS 93 3.583 -4.506 -8.718 585 HZ2 LYS 93 1HZ LYS 93 3.620 -4.197 -7.125 586 HZ3 LYS 93 2HZ LYS 93 4.216 -3.091 -8.203 587 H VAL 94 H VAL 94 8.000 -6.918 -2.921 588 HA VAL 94 HA VAL 94 8.108 -5.648 -0.350 589 HB VAL 94 HB VAL 94 10.422 -6.548 -2.114 590 HG11 VAL 94 1HG1 VAL 94 11.269 -5.026 -0.382 591 HG12 VAL 94 2HG1 VAL 94 10.345 -5.889 0.870 592 HG13 VAL 94 3HG1 VAL 94 11.700 -6.683 0.038 593 HG21 VAL 94 3HG2 VAL 94 10.404 -8.565 -0.629 594 HG22 VAL 94 1HG2 VAL 94 8.911 -7.970 0.128 595 HG23 VAL 94 2HG2 VAL 94 8.936 -8.424 -1.591 596 H ALA 95 H ALA 95 8.798 -3.679 0.342 597 HA ALA 95 HA ALA 95 8.784 -1.527 -1.617 598 HB1 ALA 95 1HB ALA 95 7.561 -1.348 0.493 599 HB2 ALA 95 2HB ALA 95 9.072 -1.524 1.413 600 HB3 ALA 95 3HB ALA 95 8.804 -0.090 0.403 601 H PHE 96 H PHE 96 10.439 -0.405 -2.451 602 HA PHE 96 HA PHE 96 13.206 -0.883 -1.928 603 HB2 PHE 96 1HB PHE 96 11.945 1.638 -3.063 604 HB3 PHE 96 2HB PHE 96 13.602 1.111 -3.280 605 HD1 PHE 96 2HD PHE 96 12.822 -1.910 -3.953 606 HD2 PHE 96 1HD PHE 96 11.502 1.947 -5.374 607 HE1 PHE 96 2HE PHE 96 12.173 -2.920 -6.117 608 HE2 PHE 96 1HE PHE 96 10.852 0.930 -7.533 609 HZ PHE 96 HZ PHE 96 11.185 -1.511 -7.912 610 HA PRO 97 HA PRO 97 13.585 1.260 1.904 611 HB2 PRO 97 1HB PRO 97 16.280 1.726 2.097 612 HB3 PRO 97 2HB PRO 97 15.558 0.089 2.164 613 HG2 PRO 97 1HG PRO 97 16.745 1.497 -0.254 614 HG3 PRO 97 2HG PRO 97 17.106 -0.154 0.350 615 HD2 PRO 97 1HD PRO 97 15.320 0.253 -1.648 616 HD3 PRO 97 2HD PRO 97 15.012 -0.980 -0.386 617 H ARG 98 H ARG 98 14.066 3.215 2.963 618 HA ARG 98 HA ARG 98 14.608 5.685 1.396 619 HB2 ARG 98 1HB ARG 98 12.215 5.161 3.216 620 HB3 ARG 98 2HB ARG 98 12.690 6.758 2.668 621 HG2 ARG 98 1HG ARG 98 11.821 4.523 0.802 622 HG3 ARG 98 2HG ARG 98 10.761 5.757 1.472 623 HD2 ARG 98 1HD ARG 98 11.210 6.614 -0.615 624 HD3 ARG 98 2HD ARG 98 12.363 7.494 0.399 625 HE ARG 98 HE ARG 98 13.662 5.168 -0.527 626 HH11 ARG 98 1HH2 ARG 98 12.309 8.093 -2.036 627 HH12 ARG 98 2HH2 ARG 98 13.440 8.012 -3.360 628 HH21 ARG 98 1HH1 ARG 98 15.057 5.138 -2.228 629 HH22 ARG 98 2HH1 ARG 98 14.976 6.350 -3.475 630 H ARG 99 H ARG 99 14.988 7.546 2.865 631 HA ARG 99 HA ARG 99 16.112 6.797 5.540 632 HB2 ARG 99 1HB ARG 99 17.366 8.659 3.481 633 HB3 ARG 99 2HB ARG 99 17.962 8.386 5.115 634 HG2 ARG 99 1HG ARG 99 17.826 6.292 2.899 635 HG3 ARG 99 2HG ARG 99 19.262 7.169 3.423 636 HD2 ARG 99 1HD ARG 99 19.094 6.146 5.672 637 HD3 ARG 99 2HD ARG 99 17.654 5.247 5.153 638 HE ARG 99 HE ARG 99 19.864 4.789 3.365 639 HH11 ARG 99 1HH1 ARG 99 18.671 3.773 6.538 640 HH12 ARG 99 2HH1 ARG 99 19.500 2.247 6.463 641 HH21 ARG 99 1HH2 ARG 99 20.905 2.805 3.332 642 HH22 ARG 99 2HH2 ARG 99 20.748 1.710 4.672 643 H ALA 100 H ALA 100 15.158 7.823 7.079 644 HA ALA 100 HA ALA 100 14.560 10.655 7.158 645 HB1 ALA 100 1HB ALA 100 12.616 9.882 5.821 646 HB2 ALA 100 2HB ALA 100 12.249 8.648 7.045 647 HB3 ALA 100 3HB ALA 100 12.095 10.373 7.438 648 H GLN 101 H GLN 101 13.522 11.218 9.311 649 HA GLN 101 HA GLN 101 13.903 9.233 11.472 650 HB2 GLN 101 1HB GLN 101 15.307 11.941 11.272 651 HB3 GLN 101 2HB GLN 101 15.155 11.017 12.763 652 HG2 GLN 101 1HG GLN 101 16.375 9.111 11.677 653 HG3 GLN 101 2HG GLN 101 16.659 10.135 10.265 654 HE21 GLN 101 2HE2 GLN 101 18.778 8.969 11.833 655 HE22 GLN 101 1HE2 GLN 101 19.638 10.303 12.588 656 HA PRO 102 HA PRO 102 10.434 11.669 13.083 657 HB2 PRO 102 1HB PRO 102 10.175 10.660 15.576 658 HB3 PRO 102 2HB PRO 102 9.902 9.648 14.131 659 HG2 PRO 102 1HG PRO 102 12.437 9.833 15.798 660 HG3 PRO 102 2HG PRO 102 11.559 8.358 15.282 661 HD2 PRO 102 1HD PRO 102 13.714 9.385 13.911 662 HD3 PRO 102 2HD PRO 102 12.375 8.521 13.098 663 H LYS 103 H LYS 103 12.223 13.381 12.699 664 HA LYS 103 HA LYS 103 12.785 14.948 15.141 665 HB2 LYS 103 1HB LYS 103 14.627 13.275 14.949 666 HB3 LYS 103 2HB LYS 103 14.991 13.877 13.327 667 HG2 LYS 103 1HG LYS 103 15.534 16.109 14.284 668 HG3 LYS 103 2HG LYS 103 15.131 15.508 15.906 669 HD2 LYS 103 1HD LYS 103 16.940 13.818 15.727 670 HD3 LYS 103 2HD LYS 103 17.333 14.409 14.097 671 HE2 LYS 103 1HE LYS 103 17.829 16.657 15.040 672 HE3 LYS 103 2HE LYS 103 17.449 16.062 16.661 673 HZ1 LYS 103 3HZ LYS 103 19.840 16.015 16.235 674 HZ2 LYS 103 1HZ LYS 103 19.301 14.489 16.445 675 HZ3 LYS 103 2HZ LYS 103 19.648 15.036 14.943 676 H5' G 104 H5' G 104 -5.692 -0.878 -13.445 677 H5'' G 104 H5" G 104 -4.017 -0.641 -12.926 678 H4' G 104 H4' G 104 -4.831 1.294 -14.179 679 H3' G 104 H3' G 104 -3.663 1.480 -11.566 680 H2' G 104 H2' G 104 -5.474 2.446 -10.545 681 HO2' G 104 HO2 G 104 -4.128 4.441 -11.959 682 H1' G 104 H1' G 104 -6.342 3.661 -13.198 683 H8 G 104 8H G 104 -7.475 2.680 -9.684 684 H1 G 104 1H G 104 -12.168 4.875 -13.503 685 H21 G 104 1H2 G 104 -11.349 5.100 -15.594 686 H22 G 104 2H2 G 104 -9.681 4.658 -15.921 687 HO5' G 104 H5T G 104 -5.438 -1.507 -11.254 688 H5' U 105 H5' U 105 -2.079 2.672 -10.569 689 H5'' U 105 H5" U 105 -1.086 3.862 -11.409 690 H4' U 105 H4' U 105 -0.110 3.199 -9.294 691 H3' U 105 H3' U 105 1.253 3.422 -11.674 692 H2' U 105 H2' U 105 1.426 1.166 -12.150 693 HO2' U 105 HO2 U 105 3.664 2.121 -11.205 694 H1' U 105 H1' U 105 1.858 0.401 -9.277 695 H3 U 105 3H U 105 1.909 -3.959 -10.637 696 H5 U 105 5H U 105 -1.464 -2.410 -12.560 697 H6 U 105 6H U 105 -0.947 -0.224 -11.635 698 H5' A 106 H5' A 106 4.960 3.419 -8.416 699 H5'' A 106 H5" A 106 3.658 4.018 -7.381 700 H4' A 106 H4' A 106 5.012 5.849 -6.568 701 H3' A 106 H3' A 106 6.395 5.979 -8.900 702 H2' A 106 H2' A 106 7.171 3.732 -8.819 703 HO2' A 106 HO2 A 106 9.152 5.534 -7.935 704 H1' A 106 H1' A 106 8.109 4.182 -5.969 705 H8 A 106 8H A 106 6.834 1.551 -8.537 706 H61 A 106 1H6 A 106 8.979 -2.429 -4.175 707 H62 A 106 2H6 A 106 8.380 -2.365 -5.835 708 H2 A 106 2H A 106 9.258 1.546 -2.574 709 H5' G 107 H5' G 107 8.248 7.953 -4.491 710 H5'' G 107 H5" G 107 7.460 6.400 -4.203 711 H4' G 107 H4' G 107 6.208 8.838 -2.956 712 H3' G 107 H3' G 107 8.837 7.636 -2.060 713 H2' G 107 H2' G 107 8.153 8.083 0.169 714 HO2' G 107 HO2 G 107 7.395 10.275 -0.261 715 H1' G 107 H1' G 107 5.379 7.657 -0.321 716 H8 G 107 8H G 107 5.249 6.188 1.749 717 H1 G 107 1H G 107 10.305 2.598 -0.003 718 H21 G 107 1H2 G 107 11.166 3.411 -1.870 719 H22 G 107 2H2 G 107 10.414 4.778 -2.681 720 H5' U 108 H5' U 108 9.846 12.387 0.762 721 H5'' U 108 H5" U 108 11.291 11.485 0.307 722 H4' U 108 H4' U 108 11.204 11.495 2.662 723 H3' U 108 H3' U 108 11.102 9.001 1.267 724 HO3' U 108 H3T U 108 12.792 9.730 2.719 725 H2' U 108 H2' U 108 8.947 8.496 2.095 726 HO2' U 108 HO2 U 108 10.873 7.706 4.009 727 H1' U 108 H1' U 108 9.812 9.973 4.601 728 H3 U 108 3H U 108 6.093 9.079 7.006 729 H5 U 108 5H U 108 4.597 9.309 3.104 730 H6 U 108 6H U 108 6.871 9.725 2.298
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