NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
580101 | 2mqc | 25027 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -34.244 14.562 -5.916 2 HA2 GLY 1 1HA GLY 1 -35.351 13.591 -7.822 3 HA3 GLY 1 2HA GLY 1 -33.692 12.950 -7.732 4 H HIS 2 H HIS 2 -33.583 10.749 -7.886 5 HA HIS 2 HA HIS 2 -35.620 9.032 -6.692 6 HB2 HIS 2 1HB HIS 2 -35.990 7.727 -8.635 7 HB3 HIS 2 2HB HIS 2 -36.257 9.385 -9.128 8 HD1 HIS 2 1HD HIS 2 -34.230 6.356 -10.014 9 HD2 HIS 2 2HD HIS 2 -34.047 10.543 -10.564 10 HE1 HIS 2 1HE HIS 2 -32.565 6.770 -11.880 11 H MET 3 H MET 3 -34.604 6.609 -7.339 12 HA MET 3 HA MET 3 -31.674 6.606 -7.077 13 HB2 MET 3 1HB MET 3 -33.661 4.953 -5.448 14 HB3 MET 3 2HB MET 3 -31.958 4.533 -5.634 15 HG2 MET 3 1HG MET 3 -31.247 6.562 -4.533 16 HG3 MET 3 2HG MET 3 -32.890 7.196 -4.510 17 HE1 MET 3 3HE MET 3 -30.573 4.328 -3.242 18 HE2 MET 3 1HE MET 3 -31.479 3.643 -1.872 19 HE3 MET 3 2HE MET 3 -32.034 3.362 -3.537 20 H GLY 4 H GLY 4 -30.871 4.446 -7.930 21 HA2 GLY 4 1HA GLY 4 -31.806 2.400 -9.197 22 HA3 GLY 4 2HA GLY 4 -32.541 3.604 -10.252 23 H SER 5 H SER 5 -29.395 4.557 -8.992 24 HA SER 5 HA SER 5 -28.242 4.242 -11.676 25 HB2 SER 5 1HB SER 5 -27.230 5.478 -9.077 26 HB3 SER 5 2HB SER 5 -26.347 5.496 -10.612 27 HG SER 5 HG SER 5 -27.493 7.113 -11.202 28 HA PRO 6 HA PRO 6 -25.884 0.617 -10.426 29 HB2 PRO 6 1HB PRO 6 -23.534 0.873 -11.817 30 HB3 PRO 6 2HB PRO 6 -25.095 0.505 -12.604 31 HG2 PRO 6 1HG PRO 6 -23.782 3.211 -12.281 32 HG3 PRO 6 2HG PRO 6 -24.413 2.465 -13.790 33 HD2 PRO 6 1HD PRO 6 -25.913 4.218 -12.367 34 HD3 PRO 6 2HD PRO 6 -26.665 2.766 -13.097 35 H VAL 7 H VAL 7 -23.687 0.052 -9.460 36 HA VAL 7 HA VAL 7 -22.946 1.779 -7.305 37 HB VAL 7 HB VAL 7 -22.727 -0.604 -7.048 38 HG11 VAL 7 1HG1 VAL 7 -21.202 -2.007 -8.315 39 HG12 VAL 7 2HG1 VAL 7 -22.434 -1.332 -9.371 40 HG13 VAL 7 3HG1 VAL 7 -20.795 -0.644 -9.388 41 HG21 VAL 7 3HG2 VAL 7 -20.555 -0.887 -6.214 42 HG22 VAL 7 1HG2 VAL 7 -19.906 0.406 -7.253 43 HG23 VAL 7 2HG2 VAL 7 -21.011 0.802 -5.919 44 H SER 8 H SER 8 -21.065 3.033 -7.078 45 HA SER 8 HA SER 8 -19.323 3.390 -9.474 46 HB2 SER 8 1HB SER 8 -20.260 5.611 -7.619 47 HB3 SER 8 2HB SER 8 -19.193 5.774 -9.024 48 HG SER 8 HG SER 8 -20.956 5.029 -10.322 49 H TYR 9 H TYR 9 -17.246 2.932 -8.880 50 HA TYR 9 HA TYR 9 -16.523 2.969 -6.000 51 HB2 TYR 9 1HB TYR 9 -15.280 1.748 -8.453 52 HB3 TYR 9 2HB TYR 9 -14.294 2.122 -7.053 53 HD1 TYR 9 1HD TYR 9 -17.747 0.612 -7.449 54 HD2 TYR 9 2HD TYR 9 -13.851 0.321 -5.643 55 HE1 TYR 9 1HE TYR 9 -18.414 -1.530 -6.387 56 HE2 TYR 9 2HE TYR 9 -14.422 -1.875 -4.756 57 HH TYR 9 HH TYR 9 -17.251 -3.656 -5.555 58 H TYR 10 H TYR 10 -14.722 4.111 -5.288 59 HA TYR 10 HA TYR 10 -13.979 6.556 -6.805 60 HB2 TYR 10 1HB TYR 10 -14.736 6.159 -3.875 61 HB3 TYR 10 2HB TYR 10 -13.869 7.551 -4.501 62 HD1 TYR 10 1HD TYR 10 -17.110 5.678 -5.236 63 HD2 TYR 10 2HD TYR 10 -15.077 9.465 -4.874 64 HE1 TYR 10 1HE TYR 10 -19.232 6.881 -5.759 65 HE2 TYR 10 2HE TYR 10 -17.143 10.650 -5.399 66 HH TYR 10 HH TYR 10 -19.542 10.229 -5.269 67 H PHE 11 H PHE 11 -11.793 6.541 -7.166 68 HA PHE 11 HA PHE 11 -9.957 5.103 -5.388 69 HB2 PHE 11 1HB PHE 11 -9.198 3.641 -7.273 70 HB3 PHE 11 2HB PHE 11 -10.802 3.281 -6.685 71 HD1 PHE 11 1HD PHE 11 -12.815 3.865 -8.078 72 HD2 PHE 11 2HD PHE 11 -8.791 4.252 -9.581 73 HE1 PHE 11 1HE PHE 11 -13.684 3.972 -10.385 74 HE2 PHE 11 2HE PHE 11 -9.663 4.339 -11.892 75 HZ PHE 11 HZ PHE 11 -12.094 4.207 -12.312 76 H SER 12 H SER 12 -9.595 7.596 -5.297 77 HA SER 12 HA SER 12 -7.268 8.232 -6.966 78 HB2 SER 12 1HB SER 12 -8.493 10.550 -7.297 79 HB3 SER 12 2HB SER 12 -8.957 9.191 -8.334 80 HG SER 12 HG SER 12 -10.778 10.258 -7.431 81 H TYR 13 H TYR 13 -6.838 10.860 -6.033 82 HA TYR 13 HA TYR 13 -6.417 10.378 -3.144 83 HB2 TYR 13 1HB TYR 13 -5.600 12.471 -5.157 84 HB3 TYR 13 2HB TYR 13 -5.796 12.967 -3.507 85 HD1 TYR 13 1HD TYR 13 -4.552 11.763 -1.632 86 HD2 TYR 13 2HD TYR 13 -3.562 11.399 -5.800 87 HE1 TYR 13 1HE TYR 13 -2.421 10.683 -1.010 88 HE2 TYR 13 2HE TYR 13 -1.366 10.374 -5.166 89 HH TYR 13 HH TYR 13 -0.801 9.198 -1.926 90 H ALA 14 H ALA 14 -7.450 13.470 -4.140 91 HA ALA 14 HA ALA 14 -10.393 13.055 -4.002 92 HB1 ALA 14 1HB ALA 14 -10.602 14.751 -2.204 93 HB2 ALA 14 2HB ALA 14 -9.683 13.363 -1.638 94 HB3 ALA 14 3HB ALA 14 -8.845 14.871 -2.087 95 H ASP 15 H ASP 15 -7.609 15.309 -4.566 96 HA ASP 15 HA ASP 15 -9.377 17.120 -6.053 97 HB2 ASP 15 1HB ASP 15 -8.271 18.249 -4.093 98 HB3 ASP 15 2HB ASP 15 -6.716 17.899 -4.833 99 H GLY 16 H GLY 16 -9.099 15.242 -7.399 100 HA2 GLY 16 1HA GLY 16 -8.840 15.209 -9.593 101 HA3 GLY 16 2HA GLY 16 -7.898 16.704 -9.492 102 H GLY 17 H GLY 17 -6.772 13.776 -7.874 103 HA2 GLY 17 1HA GLY 17 -4.849 13.197 -10.031 104 HA3 GLY 17 2HA GLY 17 -4.234 13.873 -8.513 105 H THR 18 H THR 18 -3.322 11.639 -9.409 106 HA THR 18 HA THR 18 -4.200 9.618 -7.444 107 HB THR 18 HB THR 18 -3.537 7.932 -9.401 108 HG1 THR 18 1HG THR 18 -3.002 9.467 -10.954 109 HG21 THR 18 3HG2 THR 18 -5.682 7.845 -8.400 110 HG22 THR 18 1HG2 THR 18 -5.971 7.992 -10.131 111 HG23 THR 18 2HG2 THR 18 -6.164 9.404 -9.088 112 H SER 19 H SER 19 -1.817 11.724 -7.885 113 HA SER 19 HA SER 19 0.178 9.780 -7.023 114 HB2 SER 19 1HB SER 19 1.693 10.976 -8.799 115 HB3 SER 19 2HB SER 19 0.635 9.605 -9.173 116 HG SER 19 HG SER 19 0.837 11.701 -10.518 117 H HIS 20 H HIS 20 1.404 10.613 -5.484 118 HA HIS 20 HA HIS 20 1.542 13.580 -5.066 119 HB2 HIS 20 1HB HIS 20 1.270 11.290 -3.144 120 HB3 HIS 20 2HB HIS 20 2.318 12.596 -2.680 121 HD1 HIS 20 1HD HIS 20 -1.069 13.256 -4.524 122 HD2 HIS 20 2HD HIS 20 0.883 13.632 -0.793 123 HE1 HIS 20 1HE HIS 20 -2.565 14.679 -3.072 124 H THR 21 H THR 21 3.558 14.409 -4.337 125 HA THR 21 HA THR 21 5.966 12.813 -4.384 126 HB THR 21 HB THR 21 5.618 15.241 -6.220 127 HG1 THR 21 1HG THR 21 4.526 13.602 -7.161 128 HG21 THR 21 3HG2 THR 21 7.710 14.679 -7.190 129 HG22 THR 21 1HG2 THR 21 7.886 13.218 -6.223 130 HG23 THR 21 2HG2 THR 21 7.960 14.810 -5.434 131 H GLU 22 H GLU 22 7.420 13.831 -2.868 132 HA GLU 22 HA GLU 22 6.892 16.672 -2.172 133 HB2 GLU 22 1HB GLU 22 5.972 14.929 -0.458 134 HB3 GLU 22 2HB GLU 22 7.660 14.646 -0.047 135 HG2 GLU 22 1HG GLU 22 7.663 16.508 1.257 136 HG3 GLU 22 2HG GLU 22 7.169 17.515 -0.106 137 H TYR 23 H TYR 23 8.810 17.825 -1.395 138 HA TYR 23 HA TYR 23 11.357 16.454 -2.002 139 HB2 TYR 23 1HB TYR 23 10.458 19.126 -3.099 140 HB3 TYR 23 2HB TYR 23 12.076 18.450 -3.232 141 HD1 TYR 23 2HD TYR 23 8.571 18.156 -4.402 142 HD2 TYR 23 1HD TYR 23 12.606 16.714 -4.810 143 HE1 TYR 23 2HE TYR 23 7.989 17.175 -6.621 144 HE2 TYR 23 1HE TYR 23 12.070 15.748 -7.009 145 HH TYR 23 HH TYR 23 10.428 15.521 -8.676 146 HA PRO 24 HA PRO 24 11.180 19.052 1.903 147 HB2 PRO 24 1HB PRO 24 12.166 17.204 3.709 148 HB3 PRO 24 2HB PRO 24 10.446 17.429 3.291 149 HG2 PRO 24 1HG PRO 24 12.410 15.438 2.189 150 HG3 PRO 24 2HG PRO 24 10.733 15.132 2.752 151 HD2 PRO 24 1HD PRO 24 11.314 15.406 0.118 152 HD3 PRO 24 2HD PRO 24 9.814 16.073 0.809 153 H ASP 25 H ASP 25 13.247 19.104 3.683 154 HA ASP 25 HA ASP 25 15.758 19.047 2.308 155 HB2 ASP 25 1HB ASP 25 14.552 21.229 1.511 156 HB3 ASP 25 2HB ASP 25 14.868 21.817 3.135 157 H ASP 26 H ASP 26 17.309 20.181 3.936 158 HA ASP 26 HA ASP 26 18.377 20.197 5.902 159 HB2 ASP 26 1HB ASP 26 16.770 22.130 5.919 160 HB3 ASP 26 2HB ASP 26 15.701 21.203 6.955 161 H SER 27 H SER 27 15.309 19.399 7.530 162 HA SER 27 HA SER 27 15.697 16.582 7.432 163 HB2 SER 27 1HB SER 27 15.825 17.911 10.178 164 HB3 SER 27 2HB SER 27 15.746 16.167 9.849 165 HG SER 27 HG SER 27 17.717 17.398 8.447 166 H SER 28 H SER 28 13.549 16.549 6.464 167 HA SER 28 HA SER 28 11.472 17.061 8.528 168 HB2 SER 28 1HB SER 28 11.092 17.668 5.591 169 HB3 SER 28 2HB SER 28 9.936 17.926 6.912 170 HG SER 28 HG SER 28 12.195 19.052 7.641 171 H ALA 29 H ALA 29 10.899 15.125 9.170 172 HA ALA 29 HA ALA 29 9.646 13.273 7.288 173 HB1 ALA 29 1HB ALA 29 11.912 12.335 7.458 174 HB2 ALA 29 2HB ALA 29 11.850 12.462 9.234 175 HB3 ALA 29 3HB ALA 29 10.793 11.323 8.390 176 H GLY 30 H GLY 30 7.882 12.056 8.440 177 HA2 GLY 30 1HA GLY 30 7.648 11.580 11.059 178 HA3 GLY 30 2HA GLY 30 6.967 13.221 10.891 179 H SER 31 H SER 31 5.019 12.011 11.595 180 HA SER 31 HA SER 31 3.713 10.319 9.575 181 HB2 SER 31 1HB SER 31 2.199 9.826 11.516 182 HB3 SER 31 2HB SER 31 3.878 9.299 11.718 183 HG SER 31 HG SER 31 3.901 10.400 13.486 184 H PHE 32 H PHE 32 2.344 11.326 8.267 185 HA PHE 32 HA PHE 32 0.429 13.264 9.477 186 HB2 PHE 32 1HB PHE 32 0.320 14.576 7.410 187 HB3 PHE 32 2HB PHE 32 1.804 14.680 8.308 188 HD1 PHE 32 1HD PHE 32 0.259 13.258 5.218 189 HD2 PHE 32 2HD PHE 32 3.921 14.047 7.373 190 HE1 PHE 32 1HE PHE 32 1.557 12.991 3.144 191 HE2 PHE 32 2HE PHE 32 5.211 13.777 5.272 192 HZ PHE 32 HZ PHE 32 4.030 13.326 3.144 193 H ILE 33 H ILE 33 -1.431 13.623 7.502 194 HA ILE 33 HA ILE 33 -2.534 10.943 6.884 195 HB ILE 33 HB ILE 33 -3.992 13.267 8.226 196 HG12 ILE 33 1HG1 ILE 33 -3.044 10.568 9.271 197 HG13 ILE 33 2HG1 ILE 33 -2.608 12.166 9.853 198 HG21 ILE 33 1HG2 ILE 33 -5.468 12.042 6.646 199 HG22 ILE 33 2HG2 ILE 33 -5.060 10.513 7.468 200 HG23 ILE 33 3HG2 ILE 33 -5.958 11.801 8.302 201 HD11 ILE 33 3HD1 ILE 33 -4.064 11.240 11.468 202 HD12 ILE 33 1HD1 ILE 33 -5.008 12.478 10.604 203 HD13 ILE 33 2HD1 ILE 33 -5.249 10.744 10.247 204 H LEU 34 H LEU 34 -4.093 11.129 4.960 205 HA LEU 34 HA LEU 34 -3.562 13.580 3.333 206 HB2 LEU 34 1HB LEU 34 -3.089 10.658 2.654 207 HB3 LEU 34 2HB LEU 34 -3.289 11.882 1.395 208 HG LEU 34 HG LEU 34 -1.135 12.054 3.529 209 HD11 LEU 34 1HD1 LEU 34 0.394 11.173 1.897 210 HD12 LEU 34 2HD1 LEU 34 -0.861 11.134 0.646 211 HD13 LEU 34 3HD1 LEU 34 -0.954 10.031 2.042 212 HD21 LEU 34 3HD2 LEU 34 -1.591 14.238 2.613 213 HD22 LEU 34 1HD2 LEU 34 -1.666 13.589 0.962 214 HD23 LEU 34 2HD2 LEU 34 -0.129 13.649 1.832 215 H ASP 35 H ASP 35 -5.019 14.101 1.796 216 HA ASP 35 HA ASP 35 -7.744 13.215 2.114 217 HB2 ASP 35 1HB ASP 35 -6.359 15.219 0.304 218 HB3 ASP 35 2HB ASP 35 -8.102 14.894 0.244 219 H ILE 36 H ILE 36 -7.699 11.018 1.542 220 HA ILE 36 HA ILE 36 -7.333 10.475 -1.348 221 HB ILE 36 HB ILE 36 -6.865 8.616 1.057 222 HG12 ILE 36 1HG1 ILE 36 -4.676 9.431 -0.875 223 HG13 ILE 36 2HG1 ILE 36 -5.036 10.409 0.549 224 HG21 ILE 36 1HG2 ILE 36 -5.925 6.961 -0.577 225 HG22 ILE 36 2HG2 ILE 36 -7.627 7.256 -0.838 226 HG23 ILE 36 3HG2 ILE 36 -6.412 8.035 -1.900 227 HD11 ILE 36 3HD1 ILE 36 -4.641 8.439 2.011 228 HD12 ILE 36 1HD1 ILE 36 -4.130 7.522 0.576 229 HD13 ILE 36 2HD1 ILE 36 -3.237 8.954 1.103 230 H THR 37 H THR 37 -8.959 9.000 -2.240 231 HA THR 37 HA THR 37 -11.311 8.501 -0.517 232 HB THR 37 HB THR 37 -11.413 8.843 -3.514 233 HG1 THR 37 1HG THR 37 -10.520 10.766 -2.573 234 HG21 THR 37 3HG2 THR 37 -13.757 9.465 -2.971 235 HG22 THR 37 1HG2 THR 37 -13.383 9.341 -1.255 236 HG23 THR 37 2HG2 THR 37 -13.383 7.888 -2.252 237 H SER 38 H SER 38 -12.040 6.460 -0.365 238 HA SER 38 HA SER 38 -11.376 4.412 -2.340 239 HB2 SER 38 1HB SER 38 -9.384 4.604 -0.785 240 HB3 SER 38 2HB SER 38 -10.431 4.098 0.534 241 HG SER 38 HG SER 38 -10.273 2.160 -0.104 242 H TYR 39 H TYR 39 -13.765 4.505 -2.528 243 HA TYR 39 HA TYR 39 -14.949 2.640 -0.699 244 HB2 TYR 39 1HB TYR 39 -16.906 4.001 -0.070 245 HB3 TYR 39 2HB TYR 39 -15.428 4.670 0.583 246 HD1 TYR 39 2HD TYR 39 -18.028 5.173 -2.064 247 HD2 TYR 39 1HD TYR 39 -14.767 6.910 0.183 248 HE1 TYR 39 2HE TYR 39 -18.696 7.431 -2.823 249 HE2 TYR 39 1HE TYR 39 -15.457 9.130 -0.511 250 HH TYR 39 HH TYR 39 -18.327 9.750 -2.651 251 H LYS 40 H LYS 40 -17.239 2.124 -1.427 252 HA LYS 40 HA LYS 40 -17.696 2.773 -4.301 253 HB2 LYS 40 1HB LYS 40 -18.599 0.696 -4.708 254 HB3 LYS 40 2HB LYS 40 -16.940 0.536 -4.125 255 HG2 LYS 40 1HG LYS 40 -17.798 -1.189 -3.015 256 HG3 LYS 40 2HG LYS 40 -18.203 0.025 -1.807 257 HD2 LYS 40 1HD LYS 40 -20.431 -0.293 -2.128 258 HD3 LYS 40 2HD LYS 40 -20.307 -0.179 -3.865 259 HE2 LYS 40 1HE LYS 40 -21.114 -2.371 -3.442 260 HE3 LYS 40 2HE LYS 40 -19.403 -2.582 -3.857 261 HZ1 LYS 40 3HZ LYS 40 -20.598 -2.564 -1.162 262 HZ2 LYS 40 1HZ LYS 40 -18.963 -2.684 -1.444 263 HZ3 LYS 40 2HZ LYS 40 -19.986 -3.867 -1.924 264 H LYS 41 H LYS 41 -19.595 3.713 -4.643 265 HA LYS 41 HA LYS 41 -21.468 4.134 -2.361 266 HB2 LYS 41 1HB LYS 41 -20.458 6.182 -3.378 267 HB3 LYS 41 2HB LYS 41 -21.035 5.650 -4.969 268 HG2 LYS 41 1HG LYS 41 -23.326 5.918 -4.344 269 HG3 LYS 41 2HG LYS 41 -22.926 6.199 -2.644 270 HD2 LYS 41 1HD LYS 41 -21.686 8.037 -4.707 271 HD3 LYS 41 2HD LYS 41 -23.431 8.158 -4.421 272 HE2 LYS 41 1HE LYS 41 -22.525 8.104 -1.826 273 HE3 LYS 41 2HE LYS 41 -21.171 8.924 -2.625 274 HZ1 LYS 41 3HZ LYS 41 -22.860 10.471 -3.551 275 HZ2 LYS 41 1HZ LYS 41 -22.826 10.535 -1.915 276 HZ3 LYS 41 2HZ LYS 41 -24.020 9.695 -2.651 277 H THR 42 H THR 42 -23.507 3.251 -2.569 278 HA THR 42 HA THR 42 -24.789 2.737 -4.983 279 HB THR 42 HB THR 42 -23.161 0.976 -5.317 280 HG1 THR 42 1HG THR 42 -25.306 0.562 -5.929 281 HG21 THR 42 3HG2 THR 42 -23.976 -0.218 -2.664 282 HG22 THR 42 1HG2 THR 42 -22.408 0.536 -3.059 283 HG23 THR 42 2HG2 THR 42 -22.900 -0.949 -3.875 284 H GLY 43 H GLY 43 -26.919 1.622 -4.446 285 HA2 GLY 43 1HA GLY 43 -28.847 1.805 -3.266 286 HA3 GLY 43 2HA GLY 43 -27.932 1.322 -1.827 287 H ASN 44 H ASN 44 -27.635 2.820 -0.315 288 HA ASN 44 HA ASN 44 -27.568 5.716 -0.887 289 HB2 ASN 44 1HB ASN 44 -29.970 5.275 -0.529 290 HB3 ASN 44 2HB ASN 44 -29.546 4.446 0.984 291 HD21 ASN 44 1HD2 ASN 44 -30.701 5.898 2.386 292 HD22 ASN 44 2HD2 ASN 44 -30.214 7.576 2.581 293 H SER 45 H SER 45 -25.505 4.204 -0.442 294 HA SER 45 HA SER 45 -24.538 4.718 2.290 295 HB2 SER 45 1HB SER 45 -25.729 2.600 2.442 296 HB3 SER 45 2HB SER 45 -24.906 1.986 1.004 297 HG SER 45 HG SER 45 -23.938 2.372 3.628 298 H THR 46 H THR 46 -22.269 4.084 2.434 299 HA THR 46 HA THR 46 -20.835 3.646 -0.085 300 HB THR 46 HB THR 46 -19.035 5.225 0.475 301 HG1 THR 46 1HG THR 46 -19.712 5.461 2.737 302 HG21 THR 46 3HG2 THR 46 -21.703 6.671 0.190 303 HG22 THR 46 1HG2 THR 46 -20.824 5.868 -1.126 304 HG23 THR 46 2HG2 THR 46 -20.105 7.260 -0.310 305 H LYS 47 H LYS 47 -20.181 1.566 0.422 306 HA LYS 47 HA LYS 47 -19.008 1.006 3.089 307 HB2 LYS 47 1HB LYS 47 -19.345 -0.632 0.555 308 HB3 LYS 47 2HB LYS 47 -18.059 -1.026 1.713 309 HG2 LYS 47 1HG LYS 47 -19.759 -1.098 3.553 310 HG3 LYS 47 2HG LYS 47 -21.021 -0.862 2.353 311 HD2 LYS 47 1HD LYS 47 -20.947 -3.175 2.862 312 HD3 LYS 47 2HD LYS 47 -20.284 -3.031 1.242 313 HE2 LYS 47 1HE LYS 47 -18.351 -2.952 3.546 314 HE3 LYS 47 2HE LYS 47 -19.159 -4.486 3.227 315 HZ1 LYS 47 3HZ LYS 47 -17.637 -3.035 1.152 316 HZ2 LYS 47 1HZ LYS 47 -18.278 -4.532 1.034 317 HZ3 LYS 47 2HZ LYS 47 -17.047 -4.262 2.062 318 H ALA 48 H ALA 48 -17.075 1.831 3.573 319 HA ALA 48 HA ALA 48 -15.215 2.827 1.592 320 HB1 ALA 48 1HB ALA 48 -13.641 2.969 3.470 321 HB2 ALA 48 2HB ALA 48 -15.194 3.703 3.886 322 HB3 ALA 48 3HB ALA 48 -14.771 2.081 4.501 323 H LEU 49 H LEU 49 -13.065 1.950 1.360 324 HA LEU 49 HA LEU 49 -12.771 -0.938 1.844 325 HB2 LEU 49 1HB LEU 49 -12.384 0.464 -0.849 326 HB3 LEU 49 2HB LEU 49 -11.598 -1.059 -0.459 327 HG LEU 49 HG LEU 49 -14.592 -0.611 -0.476 328 HD11 LEU 49 1HD1 LEU 49 -13.878 -0.494 -2.701 329 HD12 LEU 49 2HD1 LEU 49 -14.682 -2.038 -2.436 330 HD13 LEU 49 3HD1 LEU 49 -12.905 -1.979 -2.539 331 HD21 LEU 49 3HD2 LEU 49 -13.814 -2.479 1.071 332 HD22 LEU 49 1HD2 LEU 49 -13.038 -3.229 -0.305 333 HD23 LEU 49 2HD2 LEU 49 -14.790 -3.063 -0.262 334 H SER 50 H SER 50 -10.965 -1.300 2.920 335 HA SER 50 HA SER 50 -8.811 0.479 3.212 336 HB2 SER 50 1HB SER 50 -8.910 -2.571 3.298 337 HB3 SER 50 2HB SER 50 -7.622 -1.560 3.963 338 HG SER 50 HG SER 50 -8.975 -2.054 5.615 339 H TRP 51 H TRP 51 -6.644 0.108 2.405 340 HA TRP 51 HA TRP 51 -6.377 -1.291 -0.167 341 HB2 TRP 51 1HB TRP 51 -5.126 0.563 -1.130 342 HB3 TRP 51 2HB TRP 51 -6.746 1.061 -0.735 343 HD1 TRP 51 HD TRP 51 -3.090 1.607 0.250 344 HE1 TRP 51 1HE TRP 51 -2.877 3.906 1.407 345 HE3 TRP 51 3HE TRP 51 -8.057 2.695 0.909 346 HZ2 TRP 51 2HZ TRP 51 -4.602 5.935 2.420 347 HZ3 TRP 51 3HZ TRP 51 -8.731 4.851 1.950 348 HH2 TRP 51 HH TRP 51 -7.003 6.487 2.672 349 H ASN 52 H ASN 52 -3.995 -1.605 -0.625 350 HA ASN 52 HA ASN 52 -2.324 -1.636 1.822 351 HB2 ASN 52 1HB ASN 52 -1.507 -3.785 1.492 352 HB3 ASN 52 2HB ASN 52 -3.256 -3.954 1.459 353 HD21 ASN 52 1HD2 ASN 52 -4.158 -3.783 -1.041 354 HD22 ASN 52 2HD2 ASN 52 -3.279 -4.836 -2.103 355 H ALA 53 H ALA 53 0.072 -1.943 1.161 356 HA ALA 53 HA ALA 53 0.731 -0.541 -1.339 357 HB1 ALA 53 1HB ALA 53 1.398 0.574 1.418 358 HB2 ALA 53 2HB ALA 53 1.761 1.310 -0.133 359 HB3 ALA 53 3HB ALA 53 0.075 1.197 0.394 360 H SER 54 H SER 54 3.210 -0.283 -1.428 361 HA SER 54 HA SER 54 4.940 -0.921 0.523 362 HB2 SER 54 1HB SER 54 6.027 -3.054 -0.309 363 HB3 SER 54 2HB SER 54 4.561 -3.238 0.638 364 HG SER 54 HG SER 54 4.691 -4.556 -1.192 365 H GLY 55 H GLY 55 7.280 -1.173 -0.323 366 HA2 GLY 55 1HA GLY 55 8.061 -0.784 -2.967 367 HA3 GLY 55 2HA GLY 55 7.683 0.811 -2.317 368 H ASP 56 H ASP 56 9.276 1.827 -1.240 369 HA ASP 56 HA ASP 56 11.775 0.610 -0.394 370 HB2 ASP 56 1HB ASP 56 10.451 3.299 -0.104 371 HB3 ASP 56 2HB ASP 56 11.746 2.886 1.001 372 H SER 57 H SER 57 12.519 0.635 1.920 373 HA SER 57 HA SER 57 10.790 -0.956 3.561 374 HB2 SER 57 1HB SER 57 12.824 -0.458 5.200 375 HB3 SER 57 2HB SER 57 13.037 -1.512 3.801 376 HG SER 57 HG SER 57 14.480 0.563 4.327 377 H TRP 58 H TRP 58 11.800 2.436 3.599 378 HA TRP 58 HA TRP 58 11.182 2.772 6.396 379 HB2 TRP 58 1HB TRP 58 12.216 5.044 5.824 380 HB3 TRP 58 2HB TRP 58 13.206 3.618 5.658 381 HD1 TRP 58 HD TRP 58 14.013 2.937 3.259 382 HE1 TRP 58 1HE TRP 58 14.074 4.124 1.006 383 HE3 TRP 58 3HE TRP 58 11.006 6.950 4.352 384 HZ2 TRP 58 2HZ TRP 58 13.477 6.806 0.037 385 HZ3 TRP 58 3HZ TRP 58 10.834 8.841 2.767 386 HH2 TRP 58 HH TRP 58 12.104 8.794 0.614 387 H ILE 59 H ILE 59 8.820 2.447 4.494 388 HA ILE 59 HA ILE 59 7.461 5.054 4.982 389 HB ILE 59 HB ILE 59 7.406 3.432 2.413 390 HG12 ILE 59 1HG1 ILE 59 8.638 6.174 2.974 391 HG13 ILE 59 2HG1 ILE 59 9.547 4.690 2.755 392 HG21 ILE 59 1HG2 ILE 59 5.874 5.839 3.460 393 HG22 ILE 59 2HG2 ILE 59 6.034 5.566 1.721 394 HG23 ILE 59 3HG2 ILE 59 5.246 4.352 2.736 395 HD11 ILE 59 3HD1 ILE 59 9.672 5.891 0.726 396 HD12 ILE 59 1HD1 ILE 59 8.714 4.422 0.485 397 HD13 ILE 59 2HD1 ILE 59 7.902 5.989 0.600 398 H HIS 60 H HIS 60 5.412 4.766 5.801 399 HA HIS 60 HA HIS 60 4.561 1.951 6.362 400 HB2 HIS 60 1HB HIS 60 4.862 4.357 8.207 401 HB3 HIS 60 2HB HIS 60 4.097 2.842 8.658 402 HD1 HIS 60 1HD HIS 60 5.611 1.031 9.583 403 HD2 HIS 60 2HD HIS 60 7.670 4.154 7.654 404 HE1 HIS 60 1HE HIS 60 8.108 0.637 10.015 405 H VAL 61 H VAL 61 2.394 1.602 6.148 406 HA VAL 61 HA VAL 61 0.593 3.982 6.033 407 HB VAL 61 HB VAL 61 1.035 3.205 3.729 408 HG11 VAL 61 1HG1 VAL 61 -0.088 1.120 2.941 409 HG12 VAL 61 2HG1 VAL 61 1.385 0.855 3.898 410 HG13 VAL 61 3HG1 VAL 61 -0.218 0.598 4.615 411 HG21 VAL 61 3HG2 VAL 61 -1.822 2.750 4.691 412 HG22 VAL 61 1HG2 VAL 61 -1.061 4.310 4.330 413 HG23 VAL 61 2HG2 VAL 61 -1.321 3.126 3.040 414 H ASN 62 H ASN 62 -1.182 3.897 7.252 415 HA ASN 62 HA ASN 62 -2.261 1.268 8.037 416 HB2 ASN 62 1HB ASN 62 -0.761 2.878 9.849 417 HB3 ASN 62 2HB ASN 62 -2.432 3.108 10.313 418 HD21 ASN 62 1HD2 ASN 62 -0.358 0.370 9.124 419 HD22 ASN 62 2HD2 ASN 62 -1.024 -0.768 10.296 420 H GLY 63 H GLY 63 -3.631 1.831 6.213 421 HA2 GLY 63 1HA GLY 63 -5.520 2.607 5.267 422 HA3 GLY 63 2HA GLY 63 -6.165 2.809 6.907 423 H SER 64 H SER 64 -6.719 4.890 7.387 424 HA SER 64 HA SER 64 -5.763 7.152 5.819 425 HB2 SER 64 1HB SER 64 -7.511 7.090 8.312 426 HB3 SER 64 2HB SER 64 -7.310 8.431 7.174 427 HG SER 64 HG SER 64 -9.091 7.502 6.517 428 H SER 65 H SER 65 -3.451 6.118 6.812 429 HA SER 65 HA SER 65 -2.507 8.296 8.479 430 HB2 SER 65 1HB SER 65 -3.166 5.912 9.816 431 HB3 SER 65 2HB SER 65 -1.443 5.715 9.484 432 HG SER 65 HG SER 65 -1.104 7.755 10.474 433 H VAL 66 H VAL 66 -0.167 8.559 8.165 434 HA VAL 66 HA VAL 66 1.098 6.823 6.141 435 HB VAL 66 HB VAL 66 1.244 9.826 5.854 436 HG11 VAL 66 1HG1 VAL 66 1.268 7.515 3.883 437 HG12 VAL 66 2HG1 VAL 66 1.432 9.221 3.456 438 HG13 VAL 66 3HG1 VAL 66 2.660 8.425 4.477 439 HG21 VAL 66 3HG2 VAL 66 -1.083 8.379 4.599 440 HG22 VAL 66 1HG2 VAL 66 -1.186 9.550 5.942 441 HG23 VAL 66 2HG2 VAL 66 -0.583 10.080 4.391 442 H SER 67 H SER 67 3.359 6.766 6.560 443 HA SER 67 HA SER 67 4.570 9.044 7.902 444 HB2 SER 67 1HB SER 67 5.191 6.288 9.033 445 HB3 SER 67 2HB SER 67 5.742 7.860 9.611 446 HG SER 67 HG SER 67 3.467 6.497 10.194 447 H TYR 68 H TYR 68 6.798 9.182 7.407 448 HA TYR 68 HA TYR 68 8.022 7.136 5.704 449 HB2 TYR 68 1HB TYR 68 8.360 10.000 4.836 450 HB3 TYR 68 2HB TYR 68 8.696 8.544 3.982 451 HD1 TYR 68 2HD TYR 68 5.859 10.737 5.182 452 HD2 TYR 68 1HD TYR 68 7.098 7.656 2.419 453 HE1 TYR 68 2HE TYR 68 3.745 10.942 3.960 454 HE2 TYR 68 1HE TYR 68 4.976 7.802 1.297 455 HH TYR 68 HH TYR 68 2.871 10.532 1.645 456 H ASP 69 H ASP 69 9.880 6.748 6.697 457 HA ASP 69 HA ASP 69 10.709 8.238 9.009 458 HB2 ASP 69 1HB ASP 69 10.756 5.650 8.367 459 HB3 ASP 69 2HB ASP 69 12.294 6.097 7.617 460 H GLU 70 H GLU 70 13.024 8.977 9.314 461 HA GLU 70 HA GLU 70 13.790 10.666 7.059 462 HB2 GLU 70 1HB GLU 70 13.671 11.175 9.651 463 HB3 GLU 70 2HB GLU 70 15.287 10.471 9.670 464 HG2 GLU 70 1HG GLU 70 15.871 12.138 7.800 465 HG3 GLU 70 2HG GLU 70 14.294 12.899 8.108 466 H ASN 71 H ASN 71 15.830 10.709 6.085 467 HA ASN 71 HA ASN 71 16.393 8.208 5.107 468 HB2 ASN 71 1HB ASN 71 16.720 10.729 4.227 469 HB3 ASN 71 2HB ASN 71 18.387 10.385 4.670 470 HD21 ASN 71 1HD2 ASN 71 19.565 9.590 2.707 471 HD22 ASN 71 2HD2 ASN 71 18.812 8.441 1.706 472 HA PRO 72 HA PRO 72 19.678 6.688 7.634 473 HB2 PRO 72 1HB PRO 72 20.394 4.430 6.269 474 HB3 PRO 72 2HB PRO 72 18.774 4.612 6.970 475 HG2 PRO 72 1HG PRO 72 19.677 5.230 4.142 476 HG3 PRO 72 2HG PRO 72 18.299 4.191 4.639 477 HD2 PRO 72 1HD PRO 72 17.929 6.747 3.933 478 HD3 PRO 72 2HD PRO 72 17.034 6.059 5.317 479 H ALA 73 H ALA 73 20.559 8.033 4.607 480 HA ALA 73 HA ALA 73 23.322 8.250 5.409 481 HB1 ALA 73 1HB ALA 73 23.417 6.078 4.190 482 HB2 ALA 73 2HB ALA 73 22.623 6.840 2.792 483 HB3 ALA 73 3HB ALA 73 24.259 7.343 3.274 484 H LYS 74 H LYS 74 24.475 9.750 3.559 485 HA LYS 74 HA LYS 74 22.765 12.000 3.645 486 HB2 LYS 74 1HB LYS 74 25.533 11.943 2.435 487 HB3 LYS 74 2HB LYS 74 24.665 13.273 3.192 488 HG2 LYS 74 1HG LYS 74 25.817 12.753 5.070 489 HG3 LYS 74 2HG LYS 74 24.641 11.536 5.274 490 HD2 LYS 74 1HD LYS 74 26.183 9.829 4.635 491 HD3 LYS 74 2HD LYS 74 27.100 10.941 3.600 492 HE2 LYS 74 1HE LYS 74 27.986 12.131 5.541 493 HE3 LYS 74 2HE LYS 74 27.055 11.104 6.631 494 HZ1 LYS 74 3HZ LYS 74 28.304 9.209 5.800 495 HZ2 LYS 74 1HZ LYS 74 29.278 10.342 6.492 496 HZ3 LYS 74 2HZ LYS 74 29.201 10.192 4.828 497 H GLU 75 H GLU 75 23.260 9.690 1.249 498 HA GLU 75 HA GLU 75 23.334 11.263 -1.097 499 HB2 GLU 75 1HB GLU 75 22.236 8.471 -0.490 500 HB3 GLU 75 2HB GLU 75 22.197 9.160 -2.126 501 HG2 GLU 75 1HG GLU 75 24.682 9.378 -2.084 502 HG3 GLU 75 2HG GLU 75 24.690 8.623 -0.478 503 H ARG 76 H ARG 76 21.357 11.478 -2.684 504 HA ARG 76 HA ARG 76 18.792 11.755 -1.219 505 HB2 ARG 76 1HB ARG 76 19.997 13.714 -2.583 506 HB3 ARG 76 2HB ARG 76 19.401 12.795 -3.977 507 HG2 ARG 76 1HG ARG 76 17.097 12.994 -3.058 508 HG3 ARG 76 2HG ARG 76 17.750 14.046 -1.803 509 HD2 ARG 76 1HD ARG 76 17.786 14.591 -4.794 510 HD3 ARG 76 2HD ARG 76 16.767 15.396 -3.601 511 HE ARG 76 HE ARG 76 19.601 15.814 -4.151 512 HH11 ARG 76 1HH1 ARG 76 16.793 16.824 -2.165 513 HH12 ARG 76 2HH1 ARG 76 17.686 18.044 -1.337 514 HH21 ARG 76 1HH2 ARG 76 20.653 17.640 -3.139 515 HH22 ARG 76 2HH2 ARG 76 19.933 18.404 -1.762 516 H ARG 77 H ARG 77 17.473 10.193 -1.649 517 HA ARG 77 HA ARG 77 17.516 8.555 -4.196 518 HB2 ARG 77 1HB ARG 77 16.349 7.911 -1.443 519 HB3 ARG 77 2HB ARG 77 16.151 6.897 -2.855 520 HG2 ARG 77 1HG ARG 77 18.990 7.491 -2.200 521 HG3 ARG 77 2HG ARG 77 18.116 6.625 -0.929 522 HD2 ARG 77 1HD ARG 77 17.461 4.921 -2.714 523 HD3 ARG 77 2HD ARG 77 18.462 5.838 -3.854 524 HE ARG 77 HE ARG 77 20.420 5.199 -2.765 525 HH11 ARG 77 1HH1 ARG 77 17.602 3.775 -1.076 526 HH12 ARG 77 2HH1 ARG 77 18.561 2.604 -0.247 527 HH21 ARG 77 1HH2 ARG 77 21.677 3.783 -1.439 528 HH22 ARG 77 2HH2 ARG 77 20.872 2.777 -0.282 529 H THR 78 H THR 78 15.289 7.894 -4.864 530 HA THR 78 HA THR 78 13.158 9.746 -3.970 531 HB THR 78 HB THR 78 13.376 7.974 -6.450 532 HG1 THR 78 1HG THR 78 14.700 9.789 -6.564 533 HG21 THR 78 3HG2 THR 78 11.036 8.241 -5.735 534 HG22 THR 78 1HG2 THR 78 11.315 9.202 -7.191 535 HG23 THR 78 2HG2 THR 78 11.241 9.998 -5.600 536 H GLY 79 H GLY 79 12.230 8.663 -2.252 537 HA2 GLY 79 1HA GLY 79 12.145 5.728 -2.009 538 HA3 GLY 79 2HA GLY 79 11.247 6.927 -1.041 539 H LEU 80 H LEU 80 10.407 4.463 -2.835 540 HA LEU 80 HA LEU 80 8.240 5.932 -4.255 541 HB2 LEU 80 1HB LEU 80 10.340 5.127 -5.688 542 HB3 LEU 80 2HB LEU 80 9.639 3.530 -5.468 543 HG LEU 80 HG LEU 80 7.397 4.690 -6.282 544 HD11 LEU 80 1HD1 LEU 80 8.290 6.986 -6.194 545 HD12 LEU 80 2HD1 LEU 80 7.884 6.577 -7.889 546 HD13 LEU 80 3HD1 LEU 80 9.562 6.574 -7.350 547 HD21 LEU 80 3HD2 LEU 80 9.575 4.336 -8.348 548 HD22 LEU 80 1HD2 LEU 80 7.824 4.173 -8.571 549 HD23 LEU 80 2HD2 LEU 80 8.696 2.985 -7.589 550 H VAL 81 H VAL 81 6.198 4.982 -3.978 551 HA VAL 81 HA VAL 81 6.072 2.142 -3.136 552 HB VAL 81 HB VAL 81 4.467 4.257 -1.688 553 HG11 VAL 81 1HG1 VAL 81 5.353 1.609 -0.559 554 HG12 VAL 81 2HG1 VAL 81 4.095 2.687 0.029 555 HG13 VAL 81 3HG1 VAL 81 3.832 1.791 -1.467 556 HG21 VAL 81 3HG2 VAL 81 6.069 3.992 0.233 557 HG22 VAL 81 1HG2 VAL 81 7.188 3.193 -0.869 558 HG23 VAL 81 2HG2 VAL 81 6.727 4.901 -1.132 559 H THR 82 H THR 82 4.179 1.161 -3.687 560 HA THR 82 HA THR 82 2.283 2.626 -5.470 561 HB THR 82 HB THR 82 2.550 -0.392 -5.223 562 HG1 THR 82 1HG THR 82 4.101 -0.415 -6.684 563 HG21 THR 82 3HG2 THR 82 0.635 0.243 -6.569 564 HG22 THR 82 1HG2 THR 82 1.899 -0.225 -7.693 565 HG23 THR 82 2HG2 THR 82 1.573 1.498 -7.419 566 H LEU 83 H LEU 83 -0.067 1.397 -5.284 567 HA LEU 83 HA LEU 83 -0.582 0.111 -2.863 568 HB2 LEU 83 1HB LEU 83 -2.655 1.549 -2.297 569 HB3 LEU 83 2HB LEU 83 -1.106 2.040 -1.687 570 HG LEU 83 HG LEU 83 -2.261 3.434 -4.023 571 HD11 LEU 83 1HD1 LEU 83 -3.755 3.575 -2.013 572 HD12 LEU 83 2HD1 LEU 83 -2.927 5.118 -2.260 573 HD13 LEU 83 3HD1 LEU 83 -2.353 4.020 -1.017 574 HD21 LEU 83 3HD2 LEU 83 0.066 3.820 -2.100 575 HD22 LEU 83 1HD2 LEU 83 -0.661 5.237 -2.848 576 HD23 LEU 83 2HD2 LEU 83 0.079 3.992 -3.856 577 H LYS 84 H LYS 84 -2.890 -0.766 -2.868 578 HA LYS 84 HA LYS 84 -4.428 -0.586 -5.358 579 HB2 LYS 84 1HB LYS 84 -2.597 -2.431 -5.592 580 HB3 LYS 84 2HB LYS 84 -3.542 -3.338 -4.416 581 HG2 LYS 84 1HG LYS 84 -5.262 -2.276 -6.540 582 HG3 LYS 84 2HG LYS 84 -3.879 -3.098 -7.258 583 HD2 LYS 84 1HD LYS 84 -4.406 -5.052 -5.690 584 HD3 LYS 84 2HD LYS 84 -5.946 -4.256 -5.360 585 HE2 LYS 84 1HE LYS 84 -6.542 -4.356 -7.757 586 HE3 LYS 84 2HE LYS 84 -4.953 -5.060 -8.127 587 HZ1 LYS 84 3HZ LYS 84 -5.582 -6.940 -6.665 588 HZ2 LYS 84 1HZ LYS 84 -6.567 -6.814 -7.965 589 HZ3 LYS 84 2HZ LYS 84 -7.084 -6.306 -6.503 590 H GLN 85 H GLN 85 -6.605 -1.849 -4.964 591 HA GLN 85 HA GLN 85 -7.420 -1.217 -2.163 592 HB2 GLN 85 1HB GLN 85 -8.485 -0.082 -4.323 593 HB3 GLN 85 2HB GLN 85 -9.337 -1.593 -4.477 594 HG2 GLN 85 1HG GLN 85 -10.467 -1.245 -2.323 595 HG3 GLN 85 2HG GLN 85 -9.449 0.175 -2.001 596 HE21 GLN 85 1HE2 GLN 85 -10.132 2.116 -2.899 597 HE22 GLN 85 2HE2 GLN 85 -11.509 2.320 -3.981 598 H ASP 86 H ASP 86 -8.940 -2.640 -1.158 599 HA ASP 86 HA ASP 86 -8.653 -5.389 -1.362 600 HB2 ASP 86 1HB ASP 86 -9.601 -4.262 0.548 601 HB3 ASP 86 2HB ASP 86 -11.007 -3.769 -0.391 602 H GLU 87 H GLU 87 -11.809 -3.912 -2.433 603 HA GLU 87 HA GLU 87 -12.241 -6.236 -4.142 604 HB2 GLU 87 1HB GLU 87 -13.981 -3.774 -3.815 605 HB3 GLU 87 2HB GLU 87 -14.437 -5.305 -4.564 606 HG2 GLU 87 1HG GLU 87 -13.906 -6.408 -2.328 607 HG3 GLU 87 2HG GLU 87 -13.812 -4.776 -1.651 608 H SER 88 H SER 88 -10.741 -3.268 -4.689 609 HA SER 88 HA SER 88 -11.240 -3.328 -7.617 610 HB2 SER 88 1HB SER 88 -12.594 -1.593 -6.216 611 HB3 SER 88 2HB SER 88 -11.037 -0.724 -6.157 612 HG SER 88 HG SER 88 -12.749 -1.202 -8.294 613 H GLY 89 H GLY 89 -9.511 -0.754 -7.652 614 HA2 GLY 89 1HA GLY 89 -6.892 -2.080 -7.604 615 HA3 GLY 89 2HA GLY 89 -7.562 -1.603 -9.144 616 H LYS 90 H LYS 90 -7.715 0.016 -5.900 617 HA LYS 90 HA LYS 90 -7.255 2.570 -7.172 618 HB2 LYS 90 1HB LYS 90 -7.748 3.678 -5.399 619 HB3 LYS 90 2HB LYS 90 -8.762 2.274 -5.211 620 HG2 LYS 90 1HG LYS 90 -7.384 1.478 -3.392 621 HG3 LYS 90 2HG LYS 90 -6.147 2.627 -3.778 622 HD2 LYS 90 1HD LYS 90 -8.818 3.708 -2.993 623 HD3 LYS 90 2HD LYS 90 -7.714 3.040 -1.779 624 HE2 LYS 90 1HE LYS 90 -7.334 5.324 -1.724 625 HE3 LYS 90 2HE LYS 90 -5.934 4.611 -2.526 626 HZ1 LYS 90 3HZ LYS 90 -6.731 6.630 -3.604 627 HZ2 LYS 90 1HZ LYS 90 -8.183 5.994 -3.859 628 HZ3 LYS 90 2HZ LYS 90 -6.818 5.361 -4.631 629 H THR 91 H THR 91 -5.386 2.537 -8.314 630 HA THR 91 HA THR 91 -2.951 2.176 -6.654 631 HB THR 91 HB THR 91 -1.642 1.975 -8.578 632 HG1 THR 91 1HG THR 91 -2.591 3.361 -9.978 633 HG21 THR 91 3HG2 THR 91 -3.127 -0.006 -7.771 634 HG22 THR 91 1HG2 THR 91 -2.357 -0.124 -9.342 635 HG23 THR 91 2HG2 THR 91 -4.086 0.290 -9.227 636 H LEU 92 H LEU 92 -1.683 3.764 -6.038 637 HA LEU 92 HA LEU 92 -1.898 6.441 -7.263 638 HB2 LEU 92 1HB LEU 92 -2.245 5.626 -4.419 639 HB3 LEU 92 2HB LEU 92 -1.061 6.870 -4.668 640 HG LEU 92 HG LEU 92 -2.577 8.433 -5.284 641 HD11 LEU 92 1HD1 LEU 92 -3.918 7.272 -6.992 642 HD12 LEU 92 2HD1 LEU 92 -4.880 8.244 -5.868 643 HD13 LEU 92 3HD1 LEU 92 -4.843 6.498 -5.698 644 HD21 LEU 92 3HD2 LEU 92 -4.305 8.378 -3.506 645 HD22 LEU 92 1HD2 LEU 92 -2.784 7.654 -2.890 646 HD23 LEU 92 2HD2 LEU 92 -4.117 6.611 -3.361 647 H SER 93 H SER 93 0.184 7.491 -7.110 648 HA SER 93 HA SER 93 2.461 5.634 -6.544 649 HB2 SER 93 1HB SER 93 3.312 7.861 -8.108 650 HB3 SER 93 2HB SER 93 3.439 6.148 -8.424 651 HG SER 93 HG SER 93 2.345 6.618 -10.050 652 H LEU 94 H LEU 94 3.580 6.203 -4.806 653 HA LEU 94 HA LEU 94 3.426 9.010 -3.774 654 HB2 LEU 94 1HB LEU 94 2.713 6.800 -2.429 655 HB3 LEU 94 2HB LEU 94 4.444 6.603 -2.239 656 HG LEU 94 HG LEU 94 3.656 7.648 -0.320 657 HD11 LEU 94 1HD1 LEU 94 5.734 8.696 -1.298 658 HD12 LEU 94 2HD1 LEU 94 4.888 9.700 -0.146 659 HD13 LEU 94 3HD1 LEU 94 4.697 10.056 -1.850 660 HD21 LEU 94 3HD2 LEU 94 2.387 9.970 -0.556 661 HD22 LEU 94 1HD2 LEU 94 1.564 8.432 -0.561 662 HD23 LEU 94 2HD2 LEU 94 1.889 9.269 -2.103 663 H LYS 95 H LYS 95 5.363 10.166 -3.836 664 HA LYS 95 HA LYS 95 7.953 8.736 -4.089 665 HB2 LYS 95 1HB LYS 95 7.051 11.244 -5.555 666 HB3 LYS 95 2HB LYS 95 8.729 10.725 -5.478 667 HG2 LYS 95 1HG LYS 95 8.482 9.114 -7.076 668 HG3 LYS 95 2HG LYS 95 6.825 8.719 -6.570 669 HD2 LYS 95 1HD LYS 95 6.582 9.640 -8.705 670 HD3 LYS 95 2HD LYS 95 6.076 10.874 -7.543 671 HE2 LYS 95 1HE LYS 95 8.433 11.870 -7.795 672 HE3 LYS 95 2HE LYS 95 8.598 10.806 -9.202 673 HZ1 LYS 95 3HZ LYS 95 6.536 11.842 -10.062 674 HZ2 LYS 95 1HZ LYS 95 7.754 12.910 -9.908 675 HZ3 LYS 95 2HZ LYS 95 6.512 12.876 -8.793 676 H ILE 96 H ILE 96 9.530 9.584 -2.800 677 HA ILE 96 HA ILE 96 9.102 12.254 -1.593 678 HB ILE 96 HB ILE 96 10.292 9.963 -0.031 679 HG12 ILE 96 1HG1 ILE 96 8.027 10.336 1.382 680 HG13 ILE 96 2HG1 ILE 96 7.384 10.595 -0.230 681 HG21 ILE 96 1HG2 ILE 96 9.209 12.679 0.852 682 HG22 ILE 96 2HG2 ILE 96 10.008 11.487 1.891 683 HG23 ILE 96 3HG2 ILE 96 10.928 12.287 0.619 684 HD11 ILE 96 3HD1 ILE 96 7.238 8.222 0.266 685 HD12 ILE 96 1HD1 ILE 96 8.579 8.363 -0.867 686 HD13 ILE 96 2HD1 ILE 96 8.899 8.199 0.876 687 H VAL 97 H VAL 97 10.834 13.412 -2.453 688 HA VAL 97 HA VAL 97 13.439 12.000 -2.750 689 HB VAL 97 HB VAL 97 12.354 14.520 -4.076 690 HG11 VAL 97 1HG1 VAL 97 15.012 13.052 -4.408 691 HG12 VAL 97 2HG1 VAL 97 14.442 14.396 -5.430 692 HG13 VAL 97 3HG1 VAL 97 14.762 14.673 -3.721 693 HG21 VAL 97 3HG2 VAL 97 11.372 12.459 -5.077 694 HG22 VAL 97 1HG2 VAL 97 12.488 13.260 -6.177 695 HG23 VAL 97 2HG2 VAL 97 13.003 11.817 -5.267 696 H GLN 98 H GLN 98 14.174 12.160 -0.633 697 HA GLN 98 HA GLN 98 14.204 14.920 0.530 698 HB2 GLN 98 1HB GLN 98 14.342 14.066 2.727 699 HB3 GLN 98 2HB GLN 98 12.976 13.273 1.940 700 HG2 GLN 98 1HG GLN 98 14.375 11.268 1.594 701 HG3 GLN 98 2HG GLN 98 15.700 12.035 2.459 702 HE21 GLN 98 1HE2 GLN 98 12.866 10.054 2.944 703 HE22 GLN 98 2HE2 GLN 98 12.825 10.248 4.679 704 HA PRO 99 HA PRO 99 18.721 14.491 0.094 705 HB2 PRO 99 1HB PRO 99 19.546 16.358 1.912 706 HB3 PRO 99 2HB PRO 99 18.951 16.805 0.300 707 HG2 PRO 99 1HG PRO 99 17.473 16.845 2.931 708 HG3 PRO 99 2HG PRO 99 17.445 18.042 1.605 709 HD2 PRO 99 1HD PRO 99 15.502 16.086 1.997 710 HD3 PRO 99 2HD PRO 99 15.890 16.778 0.381 711 H GLY 100 H GLY 100 20.392 13.635 1.504 712 HA2 GLY 100 1HA GLY 100 19.114 11.863 3.412 713 HA3 GLY 100 2HA GLY 100 20.713 11.755 2.680 714 H LYS 101 H LYS 101 20.372 11.153 5.345 715 HA LYS 101 HA LYS 101 21.685 13.392 6.798 716 HB2 LYS 101 1HB LYS 101 19.460 13.554 7.451 717 HB3 LYS 101 2HB LYS 101 19.181 11.827 7.431 718 HG2 LYS 101 1HG LYS 101 21.063 12.873 9.522 719 HG3 LYS 101 2HG LYS 101 19.382 13.295 9.677 720 HD2 LYS 101 1HD LYS 101 20.128 10.404 9.181 721 HD3 LYS 101 2HD LYS 101 20.222 11.080 10.810 722 HE2 LYS 101 1HE LYS 101 17.734 11.451 9.168 723 HE3 LYS 101 2HE LYS 101 18.009 9.934 10.042 724 HZ1 LYS 101 3HZ LYS 101 18.158 12.552 11.391 725 HZ2 LYS 101 1HZ LYS 101 17.921 11.025 12.081 726 HZ3 LYS 101 2HZ LYS 101 16.756 11.807 11.218 727 H THR 102 H THR 102 22.943 12.679 8.654 728 HA THR 102 HA THR 102 23.180 9.884 9.262 729 HB THR 102 HB THR 102 25.670 10.200 9.567 730 HG1 THR 102 1HG THR 102 25.762 12.335 9.109 731 HG21 THR 102 3HG2 THR 102 24.867 10.031 6.645 732 HG22 THR 102 1HG2 THR 102 24.634 8.693 7.792 733 HG23 THR 102 2HG2 THR 102 26.271 9.273 7.423 734 H SER 103 H SER 103 22.071 10.539 11.157 735 HA SER 103 HA SER 103 23.632 12.068 13.039 736 HB2 SER 103 1HB SER 103 20.840 12.922 12.438 737 HB3 SER 103 2HB SER 103 21.935 13.703 13.581 738 HG SER 103 HG SER 103 22.924 14.702 11.959 739 H ILE 104 H ILE 104 22.804 11.696 15.256 740 HA ILE 104 HA ILE 104 21.771 9.028 15.547 741 HB ILE 104 HB ILE 104 22.070 9.429 17.961 742 HG12 ILE 104 1HG1 ILE 104 22.958 12.259 17.202 743 HG13 ILE 104 2HG1 ILE 104 21.474 11.859 18.046 744 HG21 ILE 104 1HG2 ILE 104 24.458 10.332 16.297 745 HG22 ILE 104 2HG2 ILE 104 24.486 9.510 17.868 746 HG23 ILE 104 3HG2 ILE 104 23.885 8.652 16.457 747 HD11 ILE 104 3HD1 ILE 104 22.854 10.825 19.884 748 HD12 ILE 104 1HD1 ILE 104 24.301 11.474 19.079 749 HD13 ILE 104 2HD1 ILE 104 23.054 12.576 19.683 750 H ASP 105 H ASP 105 19.676 10.129 14.226 751 HA ASP 105 HA ASP 105 17.504 10.401 16.251 752 HB2 ASP 105 1HB ASP 105 18.309 12.365 14.151 753 HB3 ASP 105 2HB ASP 105 16.591 11.978 14.216 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -37.189 9.610 -12.414 2 HA2 GLY 1 1HA GLY 1 -38.813 9.440 -10.548 3 HA3 GLY 1 2HA GLY 1 -39.876 8.560 -11.682 4 H HIS 2 H HIS 2 -39.559 6.885 -9.793 5 HA HIS 2 HA HIS 2 -38.589 5.223 -8.746 6 HB2 HIS 2 1HB HIS 2 -37.744 3.360 -9.992 7 HB3 HIS 2 2HB HIS 2 -39.139 4.048 -10.790 8 HD1 HIS 2 1HD HIS 2 -35.333 3.596 -11.344 9 HD2 HIS 2 2HD HIS 2 -38.834 4.987 -13.266 10 HE1 HIS 2 1HE HIS 2 -34.723 4.040 -13.769 11 H MET 3 H MET 3 -36.035 3.903 -9.099 12 HA MET 3 HA MET 3 -34.031 5.966 -8.825 13 HB2 MET 3 1HB MET 3 -34.918 5.564 -6.492 14 HB3 MET 3 2HB MET 3 -34.523 3.862 -6.673 15 HG2 MET 3 1HG MET 3 -32.881 4.774 -5.328 16 HG3 MET 3 2HG MET 3 -32.081 4.519 -6.850 17 HE1 MET 3 3HE MET 3 -32.704 7.485 -8.546 18 HE2 MET 3 1HE MET 3 -31.197 8.177 -7.965 19 HE3 MET 3 2HE MET 3 -31.236 6.467 -8.428 20 H GLY 4 H GLY 4 -31.769 4.638 -8.805 21 HA2 GLY 4 1HA GLY 4 -31.140 2.182 -9.165 22 HA3 GLY 4 2HA GLY 4 -32.012 2.382 -10.697 23 H SER 5 H SER 5 -29.039 2.050 -9.882 24 HA SER 5 HA SER 5 -28.014 3.315 -12.167 25 HB2 SER 5 1HB SER 5 -26.284 4.719 -10.961 26 HB3 SER 5 2HB SER 5 -27.913 5.367 -10.902 27 HG SER 5 HG SER 5 -28.144 4.553 -8.805 28 HA PRO 6 HA PRO 6 -25.070 0.006 -11.087 29 HB2 PRO 6 1HB PRO 6 -22.694 0.872 -12.184 30 HB3 PRO 6 2HB PRO 6 -24.036 0.200 -13.150 31 HG2 PRO 6 1HG PRO 6 -23.357 3.096 -12.682 32 HG3 PRO 6 2HG PRO 6 -23.799 2.296 -14.222 33 HD2 PRO 6 1HD PRO 6 -25.606 3.710 -12.741 34 HD3 PRO 6 2HD PRO 6 -26.083 2.251 -13.647 35 H VAL 7 H VAL 7 -23.282 -0.339 -9.534 36 HA VAL 7 HA VAL 7 -23.155 1.587 -7.420 37 HB VAL 7 HB VAL 7 -22.821 -0.717 -6.903 38 HG11 VAL 7 1HG1 VAL 7 -20.891 -2.038 -7.548 39 HG12 VAL 7 2HG1 VAL 7 -21.858 -1.611 -8.967 40 HG13 VAL 7 3HG1 VAL 7 -20.337 -0.736 -8.644 41 HG21 VAL 7 3HG2 VAL 7 -20.195 0.751 -6.529 42 HG22 VAL 7 1HG2 VAL 7 -21.559 0.765 -5.431 43 HG23 VAL 7 2HG2 VAL 7 -20.688 -0.725 -5.673 44 H SER 8 H SER 8 -21.661 3.183 -6.968 45 HA SER 8 HA SER 8 -19.792 3.930 -9.178 46 HB2 SER 8 1HB SER 8 -20.870 5.620 -6.897 47 HB3 SER 8 2HB SER 8 -19.809 6.151 -8.214 48 HG SER 8 HG SER 8 -21.495 5.543 -9.665 49 H TYR 9 H TYR 9 -17.909 2.752 -8.691 50 HA TYR 9 HA TYR 9 -16.779 2.774 -5.970 51 HB2 TYR 9 1HB TYR 9 -15.842 1.793 -8.659 52 HB3 TYR 9 2HB TYR 9 -14.711 2.041 -7.347 53 HD1 TYR 9 2HD TYR 9 -18.204 0.681 -7.174 54 HD2 TYR 9 1HD TYR 9 -14.031 -0.040 -6.572 55 HE1 TYR 9 2HE TYR 9 -18.736 -1.585 -6.318 56 HE2 TYR 9 1HE TYR 9 -14.515 -2.334 -5.835 57 HH TYR 9 HH TYR 9 -16.927 -4.026 -6.338 58 H TYR 10 H TYR 10 -14.948 3.915 -5.378 59 HA TYR 10 HA TYR 10 -14.022 6.242 -6.964 60 HB2 TYR 10 1HB TYR 10 -14.798 6.194 -4.007 61 HB3 TYR 10 2HB TYR 10 -13.975 7.481 -4.852 62 HD1 TYR 10 2HD TYR 10 -17.260 5.658 -4.697 63 HD2 TYR 10 1HD TYR 10 -15.125 9.148 -6.023 64 HE1 TYR 10 2HE TYR 10 -19.428 6.752 -5.227 65 HE2 TYR 10 1HE TYR 10 -17.243 10.254 -6.570 66 HH TYR 10 HH TYR 10 -20.318 8.719 -6.691 67 H PHE 11 H PHE 11 -11.814 5.980 -7.151 68 HA PHE 11 HA PHE 11 -10.240 4.764 -4.999 69 HB2 PHE 11 1HB PHE 11 -9.215 3.155 -6.713 70 HB3 PHE 11 2HB PHE 11 -10.737 2.758 -5.968 71 HD1 PHE 11 1HD PHE 11 -9.562 4.531 -9.104 72 HD2 PHE 11 2HD PHE 11 -12.372 1.808 -7.306 73 HE1 PHE 11 1HE PHE 11 -10.558 4.084 -11.326 74 HE2 PHE 11 2HE PHE 11 -13.349 1.351 -9.529 75 HZ PHE 11 HZ PHE 11 -12.414 2.473 -11.561 76 H SER 12 H SER 12 -10.222 7.403 -5.607 77 HA SER 12 HA SER 12 -7.563 7.805 -6.700 78 HB2 SER 12 1HB SER 12 -8.486 9.771 -8.085 79 HB3 SER 12 2HB SER 12 -8.627 8.141 -8.750 80 HG SER 12 HG SER 12 -10.789 8.118 -8.297 81 H TYR 13 H TYR 13 -7.374 10.593 -6.474 82 HA TYR 13 HA TYR 13 -7.402 10.851 -3.598 83 HB2 TYR 13 1HB TYR 13 -6.149 12.077 -5.877 84 HB3 TYR 13 2HB TYR 13 -6.802 13.337 -4.879 85 HD1 TYR 13 1HD TYR 13 -4.417 10.505 -5.055 86 HD2 TYR 13 2HD TYR 13 -5.893 13.787 -2.652 87 HE1 TYR 13 1HE TYR 13 -2.374 10.411 -3.654 88 HE2 TYR 13 2HE TYR 13 -3.942 13.625 -1.203 89 HH TYR 13 HH TYR 13 -1.828 12.749 -1.028 90 H ALA 14 H ALA 14 -8.159 13.240 -2.814 91 HA ALA 14 HA ALA 14 -10.687 14.002 -4.215 92 HB1 ALA 14 1HB ALA 14 -11.181 13.077 -1.962 93 HB2 ALA 14 2HB ALA 14 -10.077 14.262 -1.245 94 HB3 ALA 14 3HB ALA 14 -11.546 14.811 -2.082 95 H ASP 15 H ASP 15 -7.535 15.013 -3.101 96 HA ASP 15 HA ASP 15 -8.419 17.714 -2.575 97 HB2 ASP 15 1HB ASP 15 -6.729 16.449 -1.220 98 HB3 ASP 15 2HB ASP 15 -5.578 16.670 -2.541 99 H GLY 16 H GLY 16 -7.653 16.293 -5.491 100 HA2 GLY 16 1HA GLY 16 -7.842 17.662 -7.467 101 HA3 GLY 16 2HA GLY 16 -6.850 18.907 -6.700 102 H GLY 17 H GLY 17 -6.620 15.388 -7.429 103 HA2 GLY 17 1HA GLY 17 -4.590 15.434 -9.307 104 HA3 GLY 17 2HA GLY 17 -3.759 15.401 -7.749 105 H THR 18 H THR 18 -3.078 13.189 -8.524 106 HA THR 18 HA THR 18 -4.684 11.209 -7.215 107 HB THR 18 HB THR 18 -4.588 9.540 -9.067 108 HG1 THR 18 1HG THR 18 -3.374 11.538 -10.361 109 HG21 THR 18 3HG2 THR 18 -6.652 10.789 -8.411 110 HG22 THR 18 1HG2 THR 18 -6.639 10.034 -10.022 111 HG23 THR 18 2HG2 THR 18 -6.426 11.787 -9.854 112 H SER 19 H SER 19 -2.202 12.259 -6.447 113 HA SER 19 HA SER 19 -0.918 9.774 -5.984 114 HB2 SER 19 1HB SER 19 -0.001 10.720 -8.349 115 HB3 SER 19 2HB SER 19 1.064 11.636 -7.302 116 HG SER 19 HG SER 19 1.743 9.532 -6.412 117 H HIS 20 H HIS 20 1.308 10.276 -4.762 118 HA HIS 20 HA HIS 20 1.242 12.837 -3.338 119 HB2 HIS 20 1HB HIS 20 2.144 11.215 -1.400 120 HB3 HIS 20 2HB HIS 20 0.505 11.753 -1.580 121 HD1 HIS 20 1HD HIS 20 2.142 8.738 -3.396 122 HD2 HIS 20 2HD HIS 20 -0.921 9.776 -0.704 123 HE1 HIS 20 1HE HIS 20 0.877 6.579 -2.872 124 H THR 21 H THR 21 3.067 13.855 -3.804 125 HA THR 21 HA THR 21 5.570 12.362 -3.885 126 HB THR 21 HB THR 21 5.043 14.527 -5.945 127 HG1 THR 21 1HG THR 21 3.691 12.907 -6.448 128 HG21 THR 21 3HG2 THR 21 7.162 12.346 -5.966 129 HG22 THR 21 1HG2 THR 21 7.418 13.955 -5.281 130 HG23 THR 21 2HG2 THR 21 7.044 13.789 -6.991 131 H GLU 22 H GLU 22 7.073 13.509 -2.626 132 HA GLU 22 HA GLU 22 6.513 16.361 -2.182 133 HB2 GLU 22 1HB GLU 22 5.619 14.906 -0.241 134 HB3 GLU 22 2HB GLU 22 7.312 14.545 0.134 135 HG2 GLU 22 1HG GLU 22 6.562 16.333 1.554 136 HG3 GLU 22 2HG GLU 22 7.639 17.086 0.345 137 H TYR 23 H TYR 23 8.339 17.547 -1.815 138 HA TYR 23 HA TYR 23 10.941 16.224 -2.441 139 HB2 TYR 23 1HB TYR 23 9.776 18.786 -3.560 140 HB3 TYR 23 2HB TYR 23 11.451 18.279 -3.761 141 HD1 TYR 23 1HD TYR 23 7.923 17.582 -4.774 142 HD2 TYR 23 2HD TYR 23 12.055 16.500 -5.242 143 HE1 TYR 23 1HE TYR 23 7.338 16.356 -6.836 144 HE2 TYR 23 2HE TYR 23 11.508 15.252 -7.305 145 HH TYR 23 HH TYR 23 8.230 15.148 -8.723 146 HA PRO 24 HA PRO 24 10.843 18.887 1.399 147 HB2 PRO 24 1HB PRO 24 11.788 17.132 3.234 148 HB3 PRO 24 2HB PRO 24 10.064 17.142 2.731 149 HG2 PRO 24 1HG PRO 24 12.346 15.492 1.643 150 HG3 PRO 24 2HG PRO 24 10.790 14.857 2.302 151 HD2 PRO 24 1HD PRO 24 11.107 15.209 -0.354 152 HD3 PRO 24 2HD PRO 24 9.592 15.734 0.435 153 H ASP 25 H ASP 25 12.841 19.094 3.024 154 HA ASP 25 HA ASP 25 15.370 18.919 1.656 155 HB2 ASP 25 1HB ASP 25 15.830 21.256 1.584 156 HB3 ASP 25 2HB ASP 25 14.257 21.071 0.843 157 H ASP 26 H ASP 26 17.015 19.927 3.269 158 HA ASP 26 HA ASP 26 18.051 19.960 5.268 159 HB2 ASP 26 1HB ASP 26 16.723 22.009 5.150 160 HB3 ASP 26 2HB ASP 26 15.438 21.241 6.065 161 H SER 27 H SER 27 14.938 19.352 6.838 162 HA SER 27 HA SER 27 15.119 16.529 6.798 163 HB2 SER 27 1HB SER 27 15.369 17.875 9.519 164 HB3 SER 27 2HB SER 27 14.908 16.189 9.277 165 HG SER 27 HG SER 27 16.902 15.693 8.564 166 H SER 28 H SER 28 12.968 16.614 5.858 167 HA SER 28 HA SER 28 10.861 17.497 7.768 168 HB2 SER 28 1HB SER 28 10.811 18.045 4.793 169 HB3 SER 28 2HB SER 28 9.489 18.276 5.924 170 HG SER 28 HG SER 28 10.290 20.059 6.459 171 H ALA 29 H ALA 29 10.693 15.361 8.419 172 HA ALA 29 HA ALA 29 8.864 13.787 6.745 173 HB1 ALA 29 1HB ALA 29 11.376 12.659 8.067 174 HB2 ALA 29 2HB ALA 29 10.072 11.688 7.358 175 HB3 ALA 29 3HB ALA 29 11.023 12.749 6.319 176 H GLY 30 H GLY 30 7.656 12.121 8.147 177 HA2 GLY 30 1HA GLY 30 7.827 11.647 10.780 178 HA3 GLY 30 2HA GLY 30 6.975 13.210 10.718 179 H SER 31 H SER 31 5.155 12.005 11.593 180 HA SER 31 HA SER 31 3.661 10.324 9.667 181 HB2 SER 31 1HB SER 31 2.224 9.930 11.739 182 HB3 SER 31 2HB SER 31 3.876 9.297 11.785 183 HG SER 31 HG SER 31 2.717 11.451 13.147 184 H PHE 32 H PHE 32 2.152 11.280 8.441 185 HA PHE 32 HA PHE 32 0.558 13.516 9.500 186 HB2 PHE 32 1HB PHE 32 0.811 14.880 7.562 187 HB3 PHE 32 2HB PHE 32 2.397 14.548 8.222 188 HD1 PHE 32 1HD PHE 32 3.656 12.404 7.124 189 HD2 PHE 32 2HD PHE 32 0.599 14.809 5.184 190 HE1 PHE 32 1HE PHE 32 4.486 11.715 4.944 191 HE2 PHE 32 2HE PHE 32 1.625 14.274 3.015 192 HZ PHE 32 HZ PHE 32 3.502 12.693 2.846 193 H ILE 33 H ILE 33 -1.060 13.958 7.249 194 HA ILE 33 HA ILE 33 -2.166 11.340 6.477 195 HB ILE 33 HB ILE 33 -3.818 13.574 7.727 196 HG12 ILE 33 1HG1 ILE 33 -2.869 10.912 8.860 197 HG13 ILE 33 2HG1 ILE 33 -2.513 12.527 9.469 198 HG21 ILE 33 1HG2 ILE 33 -4.555 10.873 6.517 199 HG22 ILE 33 2HG2 ILE 33 -5.661 11.757 7.577 200 HG23 ILE 33 3HG2 ILE 33 -5.143 12.473 6.067 201 HD11 ILE 33 3HD1 ILE 33 -5.034 12.765 9.891 202 HD12 ILE 33 1HD1 ILE 33 -5.057 10.994 9.686 203 HD13 ILE 33 2HD1 ILE 33 -4.069 11.720 10.962 204 H LEU 34 H LEU 34 -3.179 11.438 4.448 205 HA LEU 34 HA LEU 34 -3.437 14.057 3.102 206 HB2 LEU 34 1HB LEU 34 -2.290 11.476 1.961 207 HB3 LEU 34 2HB LEU 34 -2.785 12.844 0.970 208 HG LEU 34 HG LEU 34 -0.657 13.069 3.147 209 HD11 LEU 34 1HD1 LEU 34 -0.029 11.422 1.342 210 HD12 LEU 34 2HD1 LEU 34 1.029 12.832 1.435 211 HD13 LEU 34 3HD1 LEU 34 -0.189 12.763 0.174 212 HD21 LEU 34 3HD2 LEU 34 -1.688 15.215 2.469 213 HD22 LEU 34 1HD2 LEU 34 -1.356 14.845 0.761 214 HD23 LEU 34 2HD2 LEU 34 -0.030 15.123 1.894 215 H ASP 35 H ASP 35 -5.176 13.841 1.338 216 HA ASP 35 HA ASP 35 -7.281 12.093 2.478 217 HB2 ASP 35 1HB ASP 35 -7.363 14.882 1.345 218 HB3 ASP 35 2HB ASP 35 -8.805 13.916 1.694 219 H ILE 36 H ILE 36 -7.586 10.373 1.352 220 HA ILE 36 HA ILE 36 -7.721 10.487 -1.609 221 HB ILE 36 HB ILE 36 -6.666 8.331 0.262 222 HG12 ILE 36 1HG1 ILE 36 -4.674 8.764 -1.567 223 HG13 ILE 36 2HG1 ILE 36 -5.385 10.374 -1.527 224 HG21 ILE 36 1HG2 ILE 36 -7.025 8.207 -2.749 225 HG22 ILE 36 2HG2 ILE 36 -6.144 7.022 -1.750 226 HG23 ILE 36 3HG2 ILE 36 -7.866 7.234 -1.514 227 HD11 ILE 36 3HD1 ILE 36 -3.505 10.130 0.054 228 HD12 ILE 36 1HD1 ILE 36 -5.004 10.434 0.919 229 HD13 ILE 36 2HD1 ILE 36 -4.349 8.791 0.880 230 H THR 37 H THR 37 -9.408 9.421 -2.628 231 HA THR 37 HA THR 37 -11.736 8.796 -0.953 232 HB THR 37 HB THR 37 -11.740 8.933 -3.994 233 HG1 THR 37 1HG THR 37 -10.964 10.896 -3.627 234 HG21 THR 37 3HG2 THR 37 -13.708 8.121 -2.567 235 HG22 THR 37 1HG2 THR 37 -14.059 9.556 -3.577 236 HG23 THR 37 2HG2 THR 37 -13.715 9.723 -1.839 237 H SER 38 H SER 38 -11.837 6.695 -0.395 238 HA SER 38 HA SER 38 -11.266 4.579 -2.429 239 HB2 SER 38 1HB SER 38 -10.165 4.758 0.396 240 HB3 SER 38 2HB SER 38 -10.048 3.320 -0.652 241 HG SER 38 HG SER 38 -8.166 4.645 -0.794 242 H TYR 39 H TYR 39 -13.645 4.500 -2.618 243 HA TYR 39 HA TYR 39 -14.812 2.658 -0.776 244 HB2 TYR 39 1HB TYR 39 -16.654 4.045 0.061 245 HB3 TYR 39 2HB TYR 39 -15.141 4.730 0.579 246 HD1 TYR 39 2HD TYR 39 -18.003 5.141 -1.767 247 HD2 TYR 39 1HD TYR 39 -14.529 7.019 -0.026 248 HE1 TYR 39 2HE TYR 39 -18.765 7.333 -2.594 249 HE2 TYR 39 1HE TYR 39 -15.364 9.195 -0.677 250 HH TYR 39 HH TYR 39 -16.853 10.082 -2.803 251 H LYS 40 H LYS 40 -17.057 2.060 -1.423 252 HA LYS 40 HA LYS 40 -17.745 2.903 -4.207 253 HB2 LYS 40 1HB LYS 40 -18.790 0.783 -4.577 254 HB3 LYS 40 2HB LYS 40 -17.082 0.630 -4.172 255 HG2 LYS 40 1HG LYS 40 -18.028 -1.141 -3.092 256 HG3 LYS 40 2HG LYS 40 -17.896 0.031 -1.770 257 HD2 LYS 40 1HD LYS 40 -20.276 0.499 -1.866 258 HD3 LYS 40 2HD LYS 40 -20.419 -0.308 -3.447 259 HE2 LYS 40 1HE LYS 40 -19.806 -2.424 -2.538 260 HE3 LYS 40 2HE LYS 40 -19.609 -1.753 -0.903 261 HZ1 LYS 40 3HZ LYS 40 -22.027 -1.254 -0.993 262 HZ2 LYS 40 1HZ LYS 40 -21.686 -2.870 -1.135 263 HZ3 LYS 40 2HZ LYS 40 -22.096 -2.016 -2.458 264 H LYS 41 H LYS 41 -19.914 3.449 -4.590 265 HA LYS 41 HA LYS 41 -21.686 3.897 -2.232 266 HB2 LYS 41 1HB LYS 41 -20.794 5.974 -3.330 267 HB3 LYS 41 2HB LYS 41 -21.419 5.395 -4.866 268 HG2 LYS 41 1HG LYS 41 -23.695 5.569 -4.165 269 HG3 LYS 41 2HG LYS 41 -23.226 5.846 -2.483 270 HD2 LYS 41 1HD LYS 41 -21.973 7.806 -4.289 271 HD3 LYS 41 2HD LYS 41 -23.748 7.788 -4.478 272 HE2 LYS 41 1HE LYS 41 -24.038 7.997 -2.014 273 HE3 LYS 41 2HE LYS 41 -22.285 8.010 -1.814 274 HZ1 LYS 41 3HZ LYS 41 -23.859 10.109 -3.173 275 HZ2 LYS 41 1HZ LYS 41 -22.210 10.028 -3.133 276 HZ3 LYS 41 2HZ LYS 41 -23.012 10.188 -1.737 277 H THR 42 H THR 42 -23.629 2.880 -2.332 278 HA THR 42 HA THR 42 -25.121 2.556 -4.648 279 HB THR 42 HB THR 42 -23.629 0.835 -5.369 280 HG1 THR 42 1HG THR 42 -25.521 0.161 -5.953 281 HG21 THR 42 3HG2 THR 42 -22.590 0.192 -3.221 282 HG22 THR 42 1HG2 THR 42 -23.161 -1.222 -4.135 283 HG23 THR 42 2HG2 THR 42 -24.096 -0.615 -2.743 284 H GLY 43 H GLY 43 -27.121 1.326 -4.213 285 HA2 GLY 43 1HA GLY 43 -29.050 1.210 -3.059 286 HA3 GLY 43 2HA GLY 43 -28.105 0.631 -1.670 287 H ASN 44 H ASN 44 -27.641 2.028 -0.030 288 HA ASN 44 HA ASN 44 -28.296 4.902 -0.254 289 HB2 ASN 44 1HB ASN 44 -30.314 3.378 0.499 290 HB3 ASN 44 2HB ASN 44 -29.433 3.267 2.027 291 HD21 ASN 44 1HD2 ASN 44 -31.954 4.383 1.761 292 HD22 ASN 44 2HD2 ASN 44 -31.927 6.119 1.495 293 H SER 45 H SER 45 -25.717 3.595 -0.073 294 HA SER 45 HA SER 45 -24.706 4.813 2.350 295 HB2 SER 45 1HB SER 45 -23.940 1.931 1.907 296 HB3 SER 45 2HB SER 45 -23.816 2.897 3.383 297 HG SER 45 HG SER 45 -26.197 2.761 3.391 298 H THR 46 H THR 46 -22.224 4.521 2.407 299 HA THR 46 HA THR 46 -21.051 3.649 -0.040 300 HB THR 46 HB THR 46 -19.107 5.192 0.637 301 HG1 THR 46 1HG THR 46 -19.732 7.030 1.808 302 HG21 THR 46 3HG2 THR 46 -20.420 5.645 -1.292 303 HG22 THR 46 1HG2 THR 46 -20.194 7.190 -0.478 304 HG23 THR 46 2HG2 THR 46 -21.752 6.351 -0.361 305 H LYS 47 H LYS 47 -19.176 2.573 0.447 306 HA LYS 47 HA LYS 47 -18.549 1.754 3.236 307 HB2 LYS 47 1HB LYS 47 -20.036 -0.007 2.513 308 HB3 LYS 47 2HB LYS 47 -19.180 -0.198 0.975 309 HG2 LYS 47 1HG LYS 47 -17.225 -1.059 2.117 310 HG3 LYS 47 2HG LYS 47 -17.922 -0.730 3.710 311 HD2 LYS 47 1HD LYS 47 -19.255 -2.594 1.701 312 HD3 LYS 47 2HD LYS 47 -17.955 -3.135 2.762 313 HE2 LYS 47 1HE LYS 47 -19.296 -2.386 4.750 314 HE3 LYS 47 2HE LYS 47 -20.650 -2.012 3.659 315 HZ1 LYS 47 3HZ LYS 47 -20.662 -4.363 3.022 316 HZ2 LYS 47 1HZ LYS 47 -20.857 -4.250 4.627 317 HZ3 LYS 47 2HZ LYS 47 -19.401 -4.678 4.009 318 H ALA 48 H ALA 48 -16.422 2.082 3.508 319 HA ALA 48 HA ALA 48 -14.664 2.721 1.311 320 HB1 ALA 48 1HB ALA 48 -14.392 3.727 3.562 321 HB2 ALA 48 2HB ALA 48 -14.027 2.115 4.221 322 HB3 ALA 48 3HB ALA 48 -12.937 2.854 3.043 323 H LEU 49 H LEU 49 -12.637 1.531 0.893 324 HA LEU 49 HA LEU 49 -12.787 -1.379 1.459 325 HB2 LEU 49 1HB LEU 49 -11.764 -0.186 -1.145 326 HB3 LEU 49 2HB LEU 49 -11.664 -1.848 -0.671 327 HG LEU 49 HG LEU 49 -14.261 -0.364 -1.222 328 HD11 LEU 49 1HD1 LEU 49 -12.616 -2.170 -2.955 329 HD12 LEU 49 2HD1 LEU 49 -13.101 -0.468 -3.212 330 HD13 LEU 49 3HD1 LEU 49 -14.323 -1.745 -3.256 331 HD21 LEU 49 3HD2 LEU 49 -13.654 -3.326 -0.716 332 HD22 LEU 49 1HD2 LEU 49 -15.236 -2.682 -1.210 333 HD23 LEU 49 2HD2 LEU 49 -14.557 -2.264 0.372 334 H SER 50 H SER 50 -10.915 -2.179 2.140 335 HA SER 50 HA SER 50 -8.782 -0.448 2.987 336 HB2 SER 50 1HB SER 50 -9.082 -3.477 2.792 337 HB3 SER 50 2HB SER 50 -7.715 -2.657 3.579 338 HG SER 50 HG SER 50 -10.399 -2.071 4.324 339 H TRP 51 H TRP 51 -6.485 -1.064 2.389 340 HA TRP 51 HA TRP 51 -6.091 -2.068 -0.317 341 HB2 TRP 51 1HB TRP 51 -4.510 -0.210 -0.837 342 HB3 TRP 51 2HB TRP 51 -6.164 0.308 -0.739 343 HD1 TRP 51 HD TRP 51 -2.820 0.822 0.962 344 HE1 TRP 51 1HE TRP 51 -2.925 2.994 2.321 345 HE3 TRP 51 3HE TRP 51 -7.878 1.614 0.836 346 HZ2 TRP 51 2HZ TRP 51 -4.865 5.140 2.644 347 HZ3 TRP 51 3HZ TRP 51 -8.824 3.705 1.744 348 HH2 TRP 51 HH TRP 51 -7.329 5.533 2.521 349 H ASN 52 H ASN 52 -3.699 -2.311 -0.649 350 HA ASN 52 HA ASN 52 -2.180 -2.695 1.897 351 HB2 ASN 52 1HB ASN 52 -2.044 -4.157 -0.761 352 HB3 ASN 52 2HB ASN 52 -0.540 -3.832 0.106 353 HD21 ASN 52 1HD2 ASN 52 -3.775 -5.261 0.530 354 HD22 ASN 52 2HD2 ASN 52 -3.279 -6.340 1.834 355 H ALA 53 H ALA 53 -0.237 -1.667 1.951 356 HA ALA 53 HA ALA 53 0.745 -0.312 -0.471 357 HB1 ALA 53 1HB ALA 53 0.977 0.815 2.362 358 HB2 ALA 53 2HB ALA 53 1.759 1.475 0.907 359 HB3 ALA 53 3HB ALA 53 -0.013 1.500 1.050 360 H SER 54 H SER 54 3.062 -0.575 -0.640 361 HA SER 54 HA SER 54 4.398 -2.336 1.272 362 HB2 SER 54 1HB SER 54 3.866 -3.413 -1.501 363 HB3 SER 54 2HB SER 54 4.755 -4.195 -0.194 364 HG SER 54 HG SER 54 2.971 -4.833 0.664 365 H GLY 55 H GLY 55 6.497 -1.791 1.196 366 HA2 GLY 55 1HA GLY 55 7.507 -0.142 -1.064 367 HA3 GLY 55 2HA GLY 55 7.209 0.543 0.553 368 H ASP 56 H ASP 56 9.452 1.099 0.462 369 HA ASP 56 HA ASP 56 11.363 -1.142 0.573 370 HB2 ASP 56 1HB ASP 56 11.350 1.337 -0.648 371 HB3 ASP 56 2HB ASP 56 12.443 1.622 0.683 372 H SER 57 H SER 57 9.589 -0.183 2.683 373 HA SER 57 HA SER 57 9.397 -0.782 4.849 374 HB2 SER 57 1HB SER 57 12.364 -1.390 4.776 375 HB3 SER 57 2HB SER 57 11.205 -1.901 6.014 376 HG SER 57 HG SER 57 11.833 -3.312 4.083 377 H TRP 58 H TRP 58 10.799 1.961 3.874 378 HA TRP 58 HA TRP 58 11.008 2.999 6.679 379 HB2 TRP 58 1HB TRP 58 12.286 4.833 5.812 380 HB3 TRP 58 2HB TRP 58 13.046 3.310 5.415 381 HD1 TRP 58 HD TRP 58 12.398 2.436 2.754 382 HE1 TRP 58 1HE TRP 58 12.549 3.858 0.610 383 HE3 TRP 58 3HE TRP 58 11.528 7.080 4.716 384 HZ2 TRP 58 2HZ TRP 58 12.827 6.658 -0.074 385 HZ3 TRP 58 3HZ TRP 58 11.633 9.093 3.269 386 HH2 TRP 58 HH TRP 58 12.351 8.893 0.895 387 H ILE 59 H ILE 59 8.613 2.562 4.578 388 HA ILE 59 HA ILE 59 7.400 5.243 4.911 389 HB ILE 59 HB ILE 59 7.276 3.672 2.304 390 HG12 ILE 59 1HG1 ILE 59 9.009 6.153 2.702 391 HG13 ILE 59 2HG1 ILE 59 9.641 4.511 2.689 392 HG21 ILE 59 1HG2 ILE 59 5.385 5.155 2.668 393 HG22 ILE 59 2HG2 ILE 59 6.441 6.485 3.159 394 HG23 ILE 59 3HG2 ILE 59 6.433 5.935 1.486 395 HD11 ILE 59 3HD1 ILE 59 9.984 5.456 0.523 396 HD12 ILE 59 1HD1 ILE 59 8.825 4.122 0.411 397 HD13 ILE 59 2HD1 ILE 59 8.276 5.816 0.338 398 H HIS 60 H HIS 60 5.202 5.131 5.252 399 HA HIS 60 HA HIS 60 3.873 2.475 5.469 400 HB2 HIS 60 1HB HIS 60 4.120 4.720 7.516 401 HB3 HIS 60 2HB HIS 60 3.002 3.375 7.663 402 HD1 HIS 60 1HD HIS 60 3.969 1.130 8.681 403 HD2 HIS 60 2HD HIS 60 6.887 4.038 7.697 404 HE1 HIS 60 1HE HIS 60 6.134 0.340 9.673 405 H VAL 61 H VAL 61 1.604 2.644 5.063 406 HA VAL 61 HA VAL 61 0.377 5.235 4.721 407 HB VAL 61 HB VAL 61 0.223 3.315 2.369 408 HG11 VAL 61 1HG1 VAL 61 -1.822 4.619 2.785 409 HG12 VAL 61 2HG1 VAL 61 -0.888 6.110 2.839 410 HG13 VAL 61 3HG1 VAL 61 -1.023 5.186 1.311 411 HG21 VAL 61 3HG2 VAL 61 1.745 5.935 2.544 412 HG22 VAL 61 1HG2 VAL 61 2.433 4.326 2.264 413 HG23 VAL 61 2HG2 VAL 61 1.394 5.052 1.036 414 H ASN 62 H ASN 62 -1.255 4.973 5.995 415 HA ASN 62 HA ASN 62 -2.453 2.300 6.490 416 HB2 ASN 62 1HB ASN 62 -1.620 4.384 8.226 417 HB3 ASN 62 2HB ASN 62 -3.361 4.531 8.193 418 HD21 ASN 62 1HD2 ASN 62 -0.832 2.977 9.693 419 HD22 ASN 62 2HD2 ASN 62 -1.689 1.645 10.429 420 H GLY 63 H GLY 63 -4.819 2.443 6.911 421 HA2 GLY 63 1HA GLY 63 -6.236 3.096 4.668 422 HA3 GLY 63 2HA GLY 63 -6.977 2.800 6.235 423 H SER 64 H SER 64 -5.301 5.443 6.996 424 HA SER 64 HA SER 64 -6.581 7.528 5.487 425 HB2 SER 64 1HB SER 64 -7.235 7.637 8.414 426 HB3 SER 64 2HB SER 64 -7.940 8.540 7.075 427 HG SER 64 HG SER 64 -8.865 6.400 6.477 428 H SER 65 H SER 65 -3.741 6.760 6.056 429 HA SER 65 HA SER 65 -2.821 9.147 7.419 430 HB2 SER 65 1HB SER 65 -3.621 7.468 9.233 431 HB3 SER 65 2HB SER 65 -2.256 6.465 8.734 432 HG SER 65 HG SER 65 -1.101 7.643 9.940 433 H VAL 66 H VAL 66 -0.352 9.217 7.352 434 HA VAL 66 HA VAL 66 0.964 7.191 5.695 435 HB VAL 66 HB VAL 66 0.055 8.577 3.993 436 HG11 VAL 66 1HG1 VAL 66 -0.614 10.585 5.165 437 HG12 VAL 66 2HG1 VAL 66 1.067 11.024 5.488 438 HG13 VAL 66 3HG1 VAL 66 0.440 11.030 3.828 439 HG21 VAL 66 3HG2 VAL 66 2.910 9.547 4.393 440 HG22 VAL 66 1HG2 VAL 66 2.442 7.968 3.713 441 HG23 VAL 66 2HG2 VAL 66 1.988 9.473 2.881 442 H SER 67 H SER 67 3.215 7.070 6.144 443 HA SER 67 HA SER 67 4.426 9.326 7.571 444 HB2 SER 67 1HB SER 67 4.651 6.512 8.715 445 HB3 SER 67 2HB SER 67 5.328 7.998 9.384 446 HG SER 67 HG SER 67 3.296 7.145 10.323 447 H TYR 68 H TYR 68 6.740 9.294 7.402 448 HA TYR 68 HA TYR 68 8.034 6.940 6.393 449 HB2 TYR 68 1HB TYR 68 9.458 8.381 4.794 450 HB3 TYR 68 2HB TYR 68 7.976 7.689 4.251 451 HD1 TYR 68 2HD TYR 68 9.633 10.859 5.171 452 HD2 TYR 68 1HD TYR 68 6.079 9.025 3.589 453 HE1 TYR 68 2HE TYR 68 8.931 13.056 4.258 454 HE2 TYR 68 1HE TYR 68 5.370 11.158 2.616 455 HH TYR 68 HH TYR 68 7.166 14.230 3.207 456 H ASP 69 H ASP 69 10.213 7.024 6.881 457 HA ASP 69 HA ASP 69 11.004 9.021 8.967 458 HB2 ASP 69 1HB ASP 69 12.202 6.327 8.232 459 HB3 ASP 69 2HB ASP 69 12.908 7.430 9.400 460 H GLU 70 H GLU 70 13.748 8.952 8.491 461 HA GLU 70 HA GLU 70 14.064 9.605 5.594 462 HB2 GLU 70 1HB GLU 70 14.880 11.189 8.000 463 HB3 GLU 70 2HB GLU 70 16.007 11.137 6.633 464 HG2 GLU 70 1HG GLU 70 14.274 11.960 5.123 465 HG3 GLU 70 2HG GLU 70 13.075 11.841 6.382 466 H ASN 71 H ASN 71 16.448 9.558 5.107 467 HA ASN 71 HA ASN 71 17.244 6.752 5.499 468 HB2 ASN 71 1HB ASN 71 18.760 7.135 3.625 469 HB3 ASN 71 2HB ASN 71 17.101 7.611 3.246 470 HD21 ASN 71 1HD2 ASN 71 19.464 8.524 1.784 471 HD22 ASN 71 2HD2 ASN 71 19.536 10.244 1.988 472 HA PRO 72 HA PRO 72 20.640 7.793 8.159 473 HB2 PRO 72 1HB PRO 72 22.053 5.466 8.148 474 HB3 PRO 72 2HB PRO 72 20.343 5.491 8.666 475 HG2 PRO 72 1HG PRO 72 21.363 4.858 5.872 476 HG3 PRO 72 2HG PRO 72 20.321 3.834 6.926 477 HD2 PRO 72 1HD PRO 72 19.293 5.462 5.047 478 HD3 PRO 72 2HD PRO 72 18.494 5.278 6.637 479 H ALA 73 H ALA 73 21.207 7.687 4.848 480 HA ALA 73 HA ALA 73 24.108 8.377 5.184 481 HB1 ALA 73 1HB ALA 73 23.903 6.294 3.884 482 HB2 ALA 73 2HB ALA 73 22.763 7.088 2.771 483 HB3 ALA 73 3HB ALA 73 24.469 7.609 2.843 484 H LYS 74 H LYS 74 24.821 10.010 3.465 485 HA LYS 74 HA LYS 74 22.947 12.189 3.612 486 HB2 LYS 74 1HB LYS 74 25.745 12.356 2.514 487 HB3 LYS 74 2HB LYS 74 24.772 13.561 3.342 488 HG2 LYS 74 1HG LYS 74 25.949 12.992 5.184 489 HG3 LYS 74 2HG LYS 74 24.833 11.690 5.307 490 HD2 LYS 74 1HD LYS 74 26.421 10.099 4.757 491 HD3 LYS 74 2HD LYS 74 27.222 11.123 3.572 492 HE2 LYS 74 1HE LYS 74 27.493 11.384 6.592 493 HE3 LYS 74 2HE LYS 74 28.679 10.675 5.486 494 HZ1 LYS 74 3HZ LYS 74 28.786 12.895 4.411 495 HZ2 LYS 74 1HZ LYS 74 29.297 12.864 6.000 496 HZ3 LYS 74 2HZ LYS 74 27.825 13.492 5.601 497 H GLU 75 H GLU 75 23.313 9.906 1.296 498 HA GLU 75 HA GLU 75 23.410 11.656 -1.055 499 HB2 GLU 75 1HB GLU 75 23.070 8.642 -0.780 500 HB3 GLU 75 2HB GLU 75 23.027 9.511 -2.324 501 HG2 GLU 75 1HG GLU 75 25.295 10.573 -1.464 502 HG3 GLU 75 2HG GLU 75 25.345 9.151 -0.438 503 H ARG 76 H ARG 76 21.658 11.446 -2.744 504 HA ARG 76 HA ARG 76 18.964 11.586 -1.512 505 HB2 ARG 76 1HB ARG 76 20.412 12.991 -3.701 506 HB3 ARG 76 2HB ARG 76 18.949 12.236 -4.269 507 HG2 ARG 76 1HG ARG 76 17.827 13.397 -2.208 508 HG3 ARG 76 2HG ARG 76 19.235 14.434 -2.205 509 HD2 ARG 76 1HD ARG 76 17.637 14.003 -4.769 510 HD3 ARG 76 2HD ARG 76 16.979 15.026 -3.510 511 HE ARG 76 HE ARG 76 19.317 15.592 -5.204 512 HH11 ARG 76 1HH1 ARG 76 17.143 16.772 -2.704 513 HH12 ARG 76 2HH1 ARG 76 17.996 18.230 -2.419 514 HH21 ARG 76 1HH2 ARG 76 20.169 17.668 -5.158 515 HH22 ARG 76 2HH2 ARG 76 19.694 18.819 -3.934 516 H ARG 77 H ARG 77 17.487 9.959 -2.012 517 HA ARG 77 HA ARG 77 17.794 8.373 -4.480 518 HB2 ARG 77 1HB ARG 77 17.194 7.018 -1.827 519 HB3 ARG 77 2HB ARG 77 17.408 6.275 -3.400 520 HG2 ARG 77 1HG ARG 77 19.855 6.851 -3.271 521 HG3 ARG 77 2HG ARG 77 19.564 7.500 -1.641 522 HD2 ARG 77 1HD ARG 77 18.392 5.126 -1.259 523 HD3 ARG 77 2HD ARG 77 19.415 4.622 -2.601 524 HE ARG 77 HE ARG 77 20.098 5.119 0.124 525 HH11 ARG 77 1HH1 ARG 77 21.526 5.321 -3.120 526 HH12 ARG 77 2HH1 ARG 77 23.164 5.174 -2.549 527 HH21 ARG 77 1HH2 ARG 77 22.297 4.810 0.837 528 HH22 ARG 77 2HH2 ARG 77 23.589 5.207 -0.270 529 H THR 78 H THR 78 15.810 8.688 -5.425 530 HA THR 78 HA THR 78 13.510 9.697 -4.061 531 HB THR 78 HB THR 78 13.803 8.152 -6.672 532 HG1 THR 78 1HG THR 78 14.928 9.953 -6.866 533 HG21 THR 78 3HG2 THR 78 11.505 8.017 -6.194 534 HG22 THR 78 1HG2 THR 78 11.656 9.413 -7.265 535 HG23 THR 78 2HG2 THR 78 11.432 9.654 -5.518 536 H GLY 79 H GLY 79 12.185 8.628 -2.651 537 HA2 GLY 79 1HA GLY 79 12.308 5.762 -2.280 538 HA3 GLY 79 2HA GLY 79 11.155 6.898 -1.546 539 H LEU 80 H LEU 80 10.549 4.342 -2.683 540 HA LEU 80 HA LEU 80 8.415 5.120 -4.512 541 HB2 LEU 80 1HB LEU 80 10.364 4.439 -5.991 542 HB3 LEU 80 2HB LEU 80 10.336 2.855 -5.218 543 HG LEU 80 HG LEU 80 7.883 2.659 -5.981 544 HD11 LEU 80 1HD1 LEU 80 8.692 5.074 -7.662 545 HD12 LEU 80 2HD1 LEU 80 7.391 5.024 -6.457 546 HD13 LEU 80 3HD1 LEU 80 7.253 4.086 -7.955 547 HD21 LEU 80 3HD2 LEU 80 8.466 1.979 -8.260 548 HD22 LEU 80 1HD2 LEU 80 9.719 1.472 -7.116 549 HD23 LEU 80 2HD2 LEU 80 9.993 2.880 -8.160 550 H VAL 81 H VAL 81 6.708 4.375 -3.494 551 HA VAL 81 HA VAL 81 6.519 1.528 -2.847 552 HB VAL 81 HB VAL 81 6.823 2.281 -0.663 553 HG11 VAL 81 1HG1 VAL 81 5.004 4.616 -1.286 554 HG12 VAL 81 2HG1 VAL 81 5.607 4.223 0.334 555 HG13 VAL 81 3HG1 VAL 81 6.747 4.697 -0.931 556 HG21 VAL 81 3HG2 VAL 81 3.826 2.552 -0.664 557 HG22 VAL 81 1HG2 VAL 81 4.627 1.003 -0.879 558 HG23 VAL 81 2HG2 VAL 81 4.898 1.935 0.593 559 H THR 82 H THR 82 4.143 0.958 -2.817 560 HA THR 82 HA THR 82 2.613 2.566 -4.788 561 HB THR 82 HB THR 82 2.610 -0.449 -4.581 562 HG1 THR 82 1HG THR 82 4.350 1.037 -6.268 563 HG21 THR 82 3HG2 THR 82 2.038 -0.331 -6.999 564 HG22 THR 82 1HG2 THR 82 1.956 1.439 -6.871 565 HG23 THR 82 2HG2 THR 82 0.826 0.410 -5.967 566 H LEU 83 H LEU 83 0.178 1.838 -4.614 567 HA LEU 83 HA LEU 83 -0.392 0.078 -2.458 568 HB2 LEU 83 1HB LEU 83 -2.366 1.332 -1.604 569 HB3 LEU 83 2HB LEU 83 -0.835 1.970 -1.110 570 HG LEU 83 HG LEU 83 -2.111 3.330 -3.420 571 HD11 LEU 83 1HD1 LEU 83 -3.451 4.663 -1.886 572 HD12 LEU 83 2HD1 LEU 83 -2.884 3.733 -0.494 573 HD13 LEU 83 3HD1 LEU 83 -3.919 2.983 -1.734 574 HD21 LEU 83 3HD2 LEU 83 -1.068 5.250 -1.945 575 HD22 LEU 83 1HD2 LEU 83 0.034 4.149 -2.809 576 HD23 LEU 83 2HD2 LEU 83 -0.247 3.971 -1.061 577 H LYS 84 H LYS 84 -2.520 -0.888 -2.724 578 HA LYS 84 HA LYS 84 -4.038 -0.220 -5.149 579 HB2 LYS 84 1HB LYS 84 -2.207 -1.912 -5.780 580 HB3 LYS 84 2HB LYS 84 -2.970 -3.039 -4.676 581 HG2 LYS 84 1HG LYS 84 -5.013 -3.078 -5.974 582 HG3 LYS 84 2HG LYS 84 -4.478 -1.711 -6.963 583 HD2 LYS 84 1HD LYS 84 -2.671 -3.047 -7.935 584 HD3 LYS 84 2HD LYS 84 -3.103 -4.432 -6.895 585 HE2 LYS 84 1HE LYS 84 -5.317 -4.561 -7.909 586 HE3 LYS 84 2HE LYS 84 -4.997 -3.124 -8.903 587 HZ1 LYS 84 3HZ LYS 84 -4.730 -5.361 -9.956 588 HZ2 LYS 84 1HZ LYS 84 -3.329 -5.528 -9.113 589 HZ3 LYS 84 2HZ LYS 84 -3.492 -4.293 -10.201 590 H GLN 85 H GLN 85 -6.192 -0.581 -4.714 591 HA GLN 85 HA GLN 85 -6.986 -1.166 -2.028 592 HB2 GLN 85 1HB GLN 85 -8.124 0.028 -4.362 593 HB3 GLN 85 2HB GLN 85 -9.219 -1.244 -3.874 594 HG2 GLN 85 1HG GLN 85 -9.759 -0.219 -1.871 595 HG3 GLN 85 2HG GLN 85 -8.212 0.627 -1.742 596 HE21 GLN 85 1HE2 GLN 85 -11.353 0.733 -3.557 597 HE22 GLN 85 2HE2 GLN 85 -11.140 2.449 -3.921 598 H ASP 86 H ASP 86 -8.822 -2.581 -1.586 599 HA ASP 86 HA ASP 86 -8.349 -5.317 -1.879 600 HB2 ASP 86 1HB ASP 86 -9.555 -4.027 -0.076 601 HB3 ASP 86 2HB ASP 86 -10.957 -3.896 -1.118 602 H GLU 87 H GLU 87 -11.551 -4.165 -2.856 603 HA GLU 87 HA GLU 87 -11.751 -6.082 -4.966 604 HB2 GLU 87 1HB GLU 87 -13.394 -3.579 -4.527 605 HB3 GLU 87 2HB GLU 87 -13.919 -4.983 -5.426 606 HG2 GLU 87 1HG GLU 87 -13.271 -5.234 -2.466 607 HG3 GLU 87 2HG GLU 87 -14.756 -4.455 -2.981 608 H SER 88 H SER 88 -10.734 -2.735 -4.867 609 HA SER 88 HA SER 88 -11.261 -2.182 -7.697 610 HB2 SER 88 1HB SER 88 -9.760 -0.353 -5.809 611 HB3 SER 88 2HB SER 88 -10.719 0.058 -7.225 612 HG SER 88 HG SER 88 -12.416 -1.129 -5.818 613 H GLY 89 H GLY 89 -8.771 -0.474 -8.038 614 HA2 GLY 89 1HA GLY 89 -6.513 -2.018 -8.011 615 HA3 GLY 89 2HA GLY 89 -7.367 -2.613 -9.425 616 H LYS 90 H LYS 90 -7.657 0.839 -8.714 617 HA LYS 90 HA LYS 90 -5.497 1.604 -10.575 618 HB2 LYS 90 1HB LYS 90 -7.317 3.132 -8.643 619 HB3 LYS 90 2HB LYS 90 -5.803 3.815 -9.228 620 HG2 LYS 90 1HG LYS 90 -6.688 3.192 -11.608 621 HG3 LYS 90 2HG LYS 90 -8.257 3.142 -10.834 622 HD2 LYS 90 1HD LYS 90 -8.376 5.407 -10.909 623 HD3 LYS 90 2HD LYS 90 -6.961 5.564 -9.897 624 HE2 LYS 90 1HE LYS 90 -7.049 5.360 -12.935 625 HE3 LYS 90 2HE LYS 90 -6.664 6.787 -11.986 626 HZ1 LYS 90 3HZ LYS 90 -4.718 5.681 -12.905 627 HZ2 LYS 90 1HZ LYS 90 -4.994 4.329 -12.074 628 HZ3 LYS 90 2HZ LYS 90 -4.620 5.722 -11.272 629 H THR 91 H THR 91 -3.725 2.967 -9.397 630 HA THR 91 HA THR 91 -3.169 1.950 -6.724 631 HB THR 91 HB THR 91 -0.743 1.657 -7.440 632 HG1 THR 91 1HG THR 91 -1.795 1.410 -10.047 633 HG21 THR 91 3HG2 THR 91 -2.302 -0.290 -7.201 634 HG22 THR 91 1HG2 THR 91 -1.008 -0.560 -8.371 635 HG23 THR 91 2HG2 THR 91 -2.658 -0.220 -8.921 636 H LEU 92 H LEU 92 -1.703 3.428 -5.515 637 HA LEU 92 HA LEU 92 -1.212 6.004 -6.976 638 HB2 LEU 92 1HB LEU 92 -1.522 5.643 -4.009 639 HB3 LEU 92 2HB LEU 92 -1.149 7.144 -4.810 640 HG LEU 92 HG LEU 92 -3.770 5.625 -5.048 641 HD11 LEU 92 1HD1 LEU 92 -3.059 8.136 -3.468 642 HD12 LEU 92 2HD1 LEU 92 -3.222 6.521 -2.783 643 HD13 LEU 92 3HD1 LEU 92 -4.633 7.304 -3.523 644 HD21 LEU 92 3HD2 LEU 92 -3.040 8.446 -5.971 645 HD22 LEU 92 1HD2 LEU 92 -4.658 7.713 -6.023 646 HD23 LEU 92 2HD2 LEU 92 -3.372 7.054 -7.034 647 H SER 93 H SER 93 0.830 6.995 -6.167 648 HA SER 93 HA SER 93 2.903 4.977 -5.487 649 HB2 SER 93 1HB SER 93 3.113 7.213 -7.536 650 HB3 SER 93 2HB SER 93 4.220 5.836 -7.318 651 HG SER 93 HG SER 93 2.685 4.484 -8.218 652 H LEU 94 H LEU 94 3.959 5.710 -3.653 653 HA LEU 94 HA LEU 94 3.895 8.605 -2.994 654 HB2 LEU 94 1HB LEU 94 3.594 6.424 -1.329 655 HB3 LEU 94 2HB LEU 94 5.306 6.829 -1.135 656 HG LEU 94 HG LEU 94 2.904 8.613 -0.613 657 HD11 LEU 94 1HD1 LEU 94 3.589 8.482 1.665 658 HD12 LEU 94 2HD1 LEU 94 5.085 7.650 1.251 659 HD13 LEU 94 3HD1 LEU 94 3.508 6.830 1.061 660 HD21 LEU 94 3HD2 LEU 94 4.633 10.189 0.358 661 HD22 LEU 94 1HD2 LEU 94 4.555 10.163 -1.406 662 HD23 LEU 94 2HD2 LEU 94 5.864 9.295 -0.559 663 H LYS 95 H LYS 95 5.541 9.792 -3.639 664 HA LYS 95 HA LYS 95 8.233 8.541 -3.984 665 HB2 LYS 95 1HB LYS 95 6.636 10.289 -5.879 666 HB3 LYS 95 2HB LYS 95 8.423 10.282 -5.918 667 HG2 LYS 95 1HG LYS 95 8.411 7.874 -6.264 668 HG3 LYS 95 2HG LYS 95 6.645 7.832 -6.197 669 HD2 LYS 95 1HD LYS 95 7.151 7.696 -8.461 670 HD3 LYS 95 2HD LYS 95 6.653 9.373 -8.254 671 HE2 LYS 95 1HE LYS 95 9.580 8.820 -7.921 672 HE3 LYS 95 2HE LYS 95 8.953 8.442 -9.518 673 HZ1 LYS 95 3HZ LYS 95 9.834 10.676 -9.251 674 HZ2 LYS 95 1HZ LYS 95 8.515 11.095 -8.311 675 HZ3 LYS 95 2HZ LYS 95 8.323 10.642 -9.867 676 H ILE 96 H ILE 96 9.004 9.211 -2.056 677 HA ILE 96 HA ILE 96 8.984 12.108 -1.427 678 HB ILE 96 HB ILE 96 10.515 9.928 0.048 679 HG12 ILE 96 1HG1 ILE 96 8.590 10.288 1.795 680 HG13 ILE 96 2HG1 ILE 96 7.595 10.643 0.391 681 HG21 ILE 96 1HG2 ILE 96 9.434 12.662 0.924 682 HG22 ILE 96 2HG2 ILE 96 10.493 11.585 1.863 683 HG23 ILE 96 3HG2 ILE 96 11.096 12.357 0.396 684 HD11 ILE 96 3HD1 ILE 96 7.477 8.274 1.155 685 HD12 ILE 96 1HD1 ILE 96 8.155 8.339 -0.481 686 HD13 ILE 96 2HD1 ILE 96 9.226 8.103 0.921 687 H VAL 97 H VAL 97 10.594 13.326 -2.495 688 HA VAL 97 HA VAL 97 13.158 11.907 -3.104 689 HB VAL 97 HB VAL 97 12.022 14.481 -4.245 690 HG11 VAL 97 1HG1 VAL 97 14.530 12.909 -4.991 691 HG12 VAL 97 2HG1 VAL 97 13.919 14.376 -5.812 692 HG13 VAL 97 3HG1 VAL 97 14.496 14.482 -4.159 693 HG21 VAL 97 3HG2 VAL 97 11.915 13.157 -6.393 694 HG22 VAL 97 1HG2 VAL 97 12.261 11.712 -5.441 695 HG23 VAL 97 2HG2 VAL 97 10.764 12.634 -5.165 696 H GLN 98 H GLN 98 14.078 11.999 -1.000 697 HA GLN 98 HA GLN 98 14.088 14.690 0.263 698 HB2 GLN 98 1HB GLN 98 14.352 13.475 2.465 699 HB3 GLN 98 2HB GLN 98 12.789 13.450 1.699 700 HG2 GLN 98 1HG GLN 98 12.948 11.353 2.566 701 HG3 GLN 98 2HG GLN 98 13.216 11.205 0.831 702 HE21 GLN 98 1HE2 GLN 98 15.329 11.981 3.633 703 HE22 GLN 98 2HE2 GLN 98 16.574 10.852 3.253 704 HA PRO 99 HA PRO 99 18.596 14.252 0.065 705 HB2 PRO 99 1HB PRO 99 19.319 16.198 1.830 706 HB3 PRO 99 2HB PRO 99 18.567 16.594 0.258 707 HG2 PRO 99 1HG PRO 99 17.231 16.395 2.974 708 HG3 PRO 99 2HG PRO 99 17.085 17.688 1.759 709 HD2 PRO 99 1HD PRO 99 15.264 15.575 1.976 710 HD3 PRO 99 2HD PRO 99 15.627 16.413 0.437 711 H GLY 100 H GLY 100 20.442 14.014 1.847 712 HA2 GLY 100 1HA GLY 100 19.412 11.986 3.713 713 HA3 GLY 100 2HA GLY 100 20.971 11.997 2.973 714 H LYS 101 H LYS 101 20.936 11.425 5.500 715 HA LYS 101 HA LYS 101 22.020 13.755 6.915 716 HB2 LYS 101 1HB LYS 101 20.695 13.407 8.893 717 HB3 LYS 101 2HB LYS 101 19.636 13.672 7.505 718 HG2 LYS 101 1HG LYS 101 18.908 11.463 7.438 719 HG3 LYS 101 2HG LYS 101 20.285 10.820 8.322 720 HD2 LYS 101 1HD LYS 101 19.331 11.064 10.304 721 HD3 LYS 101 2HD LYS 101 18.757 12.716 9.953 722 HE2 LYS 101 1HE LYS 101 17.032 11.498 8.406 723 HE3 LYS 101 2HE LYS 101 17.407 10.064 9.377 724 HZ1 LYS 101 3HZ LYS 101 15.514 11.236 10.305 725 HZ2 LYS 101 1HZ LYS 101 16.345 12.651 10.379 726 HZ3 LYS 101 2HZ LYS 101 16.742 11.414 11.352 727 H THR 102 H THR 102 22.647 12.823 9.279 728 HA THR 102 HA THR 102 23.471 10.104 9.443 729 HB THR 102 HB THR 102 25.915 11.052 10.013 730 HG1 THR 102 1HG THR 102 25.541 13.116 9.435 731 HG21 THR 102 3HG2 THR 102 26.825 10.204 8.068 732 HG22 THR 102 1HG2 THR 102 25.322 10.447 7.130 733 HG23 THR 102 2HG2 THR 102 25.384 9.220 8.411 734 H SER 103 H SER 103 22.196 10.186 11.407 735 HA SER 103 HA SER 103 23.592 11.438 13.648 736 HB2 SER 103 1HB SER 103 20.800 12.059 12.841 737 HB3 SER 103 2HB SER 103 21.262 12.087 14.546 738 HG SER 103 HG SER 103 21.580 14.073 13.857 739 H ILE 104 H ILE 104 22.811 10.549 15.717 740 HA ILE 104 HA ILE 104 22.204 7.699 15.617 741 HB ILE 104 HB ILE 104 22.269 7.880 18.095 742 HG12 ILE 104 1HG1 ILE 104 23.361 10.709 17.803 743 HG13 ILE 104 2HG1 ILE 104 21.666 10.441 18.133 744 HG21 ILE 104 1HG2 ILE 104 24.710 8.986 16.633 745 HG22 ILE 104 2HG2 ILE 104 24.712 8.128 18.189 746 HG23 ILE 104 3HG2 ILE 104 24.229 7.279 16.714 747 HD11 ILE 104 3HD1 ILE 104 23.985 9.538 19.872 748 HD12 ILE 104 1HD1 ILE 104 22.819 10.832 20.200 749 HD13 ILE 104 2HD1 ILE 104 22.268 9.139 20.166 750 H ASP 105 H ASP 105 20.249 8.248 14.326 751 HA ASP 105 HA ASP 105 17.925 9.186 15.974 752 HB2 ASP 105 1HB ASP 105 19.054 10.859 14.470 753 HB3 ASP 105 2HB ASP 105 18.636 9.844 13.090 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -38.093 11.549 -9.086 2 HA2 GLY 1 1HA GLY 1 -35.933 12.454 -7.247 3 HA3 GLY 1 2HA GLY 1 -37.395 11.577 -6.719 4 H HIS 2 H HIS 2 -36.825 9.458 -6.268 5 HA HIS 2 HA HIS 2 -36.565 7.340 -6.748 6 HB2 HIS 2 1HB HIS 2 -35.828 7.798 -9.623 7 HB3 HIS 2 2HB HIS 2 -36.744 6.479 -8.902 8 HD1 HIS 2 1HD HIS 2 -39.350 7.440 -7.925 9 HD2 HIS 2 2HD HIS 2 -37.136 9.694 -10.711 10 HE1 HIS 2 1HE HIS 2 -40.860 9.364 -8.661 11 H MET 3 H MET 3 -34.859 5.746 -8.068 12 HA MET 3 HA MET 3 -32.126 6.357 -7.318 13 HB2 MET 3 1HB MET 3 -32.160 4.489 -5.655 14 HB3 MET 3 2HB MET 3 -33.109 5.867 -5.131 15 HG2 MET 3 1HG MET 3 -34.351 3.436 -6.469 16 HG3 MET 3 2HG MET 3 -34.015 3.486 -4.749 17 HE1 MET 3 3HE MET 3 -34.806 6.176 -3.561 18 HE2 MET 3 1HE MET 3 -36.538 5.936 -3.242 19 HE3 MET 3 2HE MET 3 -35.394 4.609 -2.955 20 H GLY 4 H GLY 4 -30.898 4.157 -7.662 21 HA2 GLY 4 1HA GLY 4 -31.183 1.877 -8.586 22 HA3 GLY 4 2HA GLY 4 -32.142 2.582 -9.886 23 H SER 5 H SER 5 -29.776 4.872 -9.365 24 HA SER 5 HA SER 5 -28.264 4.259 -11.691 25 HB2 SER 5 1HB SER 5 -26.713 6.048 -10.538 26 HB3 SER 5 2HB SER 5 -28.313 6.499 -11.128 27 HG SER 5 HG SER 5 -27.542 5.981 -8.445 28 HA PRO 6 HA PRO 6 -25.618 1.182 -10.248 29 HB2 PRO 6 1HB PRO 6 -23.213 1.579 -11.572 30 HB3 PRO 6 2HB PRO 6 -24.725 1.028 -12.350 31 HG2 PRO 6 1HG PRO 6 -23.633 3.852 -12.209 32 HG3 PRO 6 2HG PRO 6 -24.251 2.975 -13.641 33 HD2 PRO 6 1HD PRO 6 -25.826 4.702 -12.271 34 HD3 PRO 6 2HD PRO 6 -26.492 3.168 -12.907 35 H VAL 7 H VAL 7 -23.609 0.579 -9.118 36 HA VAL 7 HA VAL 7 -22.777 2.262 -6.991 37 HB VAL 7 HB VAL 7 -22.619 -0.152 -6.886 38 HG11 VAL 7 1HG1 VAL 7 -20.470 -0.024 -9.033 39 HG12 VAL 7 2HG1 VAL 7 -20.960 -1.459 -8.097 40 HG13 VAL 7 3HG1 VAL 7 -22.097 -0.718 -9.224 41 HG21 VAL 7 3HG2 VAL 7 -20.484 -0.449 -5.905 42 HG22 VAL 7 1HG2 VAL 7 -19.786 0.902 -6.826 43 HG23 VAL 7 2HG2 VAL 7 -20.960 1.211 -5.549 44 H SER 8 H SER 8 -20.856 3.403 -6.659 45 HA SER 8 HA SER 8 -19.257 4.190 -9.045 46 HB2 SER 8 1HB SER 8 -21.146 5.763 -8.381 47 HB3 SER 8 2HB SER 8 -20.303 6.045 -6.858 48 HG SER 8 HG SER 8 -20.013 7.277 -9.081 49 H TYR 9 H TYR 9 -17.281 3.288 -8.526 50 HA TYR 9 HA TYR 9 -16.304 3.342 -5.726 51 HB2 TYR 9 1HB TYR 9 -15.301 2.109 -8.292 52 HB3 TYR 9 2HB TYR 9 -14.197 2.422 -6.974 53 HD1 TYR 9 1HD TYR 9 -17.663 0.995 -7.244 54 HD2 TYR 9 2HD TYR 9 -13.741 0.654 -5.540 55 HE1 TYR 9 1HE TYR 9 -18.344 -1.106 -6.107 56 HE2 TYR 9 2HE TYR 9 -14.348 -1.466 -4.504 57 HH TYR 9 HH TYR 9 -16.125 -3.148 -4.167 58 H TYR 10 H TYR 10 -14.494 4.465 -5.106 59 HA TYR 10 HA TYR 10 -13.439 6.605 -6.879 60 HB2 TYR 10 1HB TYR 10 -14.224 6.675 -3.929 61 HB3 TYR 10 2HB TYR 10 -13.351 7.949 -4.769 62 HD1 TYR 10 2HD TYR 10 -14.421 9.190 -6.660 63 HD2 TYR 10 1HD TYR 10 -16.640 6.416 -4.241 64 HE1 TYR 10 2HE TYR 10 -16.529 10.236 -7.427 65 HE2 TYR 10 1HE TYR 10 -18.797 7.504 -4.947 66 HH TYR 10 HH TYR 10 -19.766 9.142 -6.424 67 H PHE 11 H PHE 11 -11.229 7.104 -6.517 68 HA PHE 11 HA PHE 11 -9.473 5.279 -5.106 69 HB2 PHE 11 1HB PHE 11 -8.737 4.132 -7.290 70 HB3 PHE 11 2HB PHE 11 -10.182 3.593 -6.504 71 HD1 PHE 11 1HD PHE 11 -9.121 5.911 -9.316 72 HD2 PHE 11 2HD PHE 11 -12.198 3.381 -7.663 73 HE1 PHE 11 1HE PHE 11 -10.495 6.270 -11.326 74 HE2 PHE 11 2HE PHE 11 -13.571 3.729 -9.701 75 HZ PHE 11 HZ PHE 11 -12.714 5.163 -11.544 76 H SER 12 H SER 12 -9.405 8.116 -5.191 77 HA SER 12 HA SER 12 -6.832 8.522 -6.532 78 HB2 SER 12 1HB SER 12 -7.570 10.595 -7.643 79 HB3 SER 12 2HB SER 12 -8.480 9.204 -8.239 80 HG SER 12 HG SER 12 -9.284 11.322 -6.613 81 H TYR 13 H TYR 13 -6.121 10.948 -5.982 82 HA TYR 13 HA TYR 13 -6.524 11.406 -3.091 83 HB2 TYR 13 1HB TYR 13 -4.727 12.767 -5.143 84 HB3 TYR 13 2HB TYR 13 -4.814 13.160 -3.433 85 HD1 TYR 13 2HD TYR 13 -3.801 10.552 -5.858 86 HD2 TYR 13 1HD TYR 13 -3.604 11.883 -1.781 87 HE1 TYR 13 2HE TYR 13 -2.146 8.771 -5.365 88 HE2 TYR 13 1HE TYR 13 -1.952 10.121 -1.281 89 HH TYR 13 HH TYR 13 -0.693 8.281 -2.128 90 H ALA 14 H ALA 14 -7.164 13.578 -2.495 91 HA ALA 14 HA ALA 14 -9.392 14.546 -4.090 92 HB1 ALA 14 1HB ALA 14 -8.134 15.743 -1.591 93 HB2 ALA 14 2HB ALA 14 -9.702 16.173 -2.289 94 HB3 ALA 14 3HB ALA 14 -9.453 14.548 -1.620 95 H ASP 15 H ASP 15 -6.022 15.452 -3.751 96 HA ASP 15 HA ASP 15 -6.167 18.146 -4.531 97 HB2 ASP 15 1HB ASP 15 -3.852 18.110 -4.655 98 HB3 ASP 15 2HB ASP 15 -4.224 16.935 -3.398 99 H GLY 16 H GLY 16 -6.794 15.489 -6.417 100 HA2 GLY 16 1HA GLY 16 -7.775 15.962 -8.560 101 HA3 GLY 16 2HA GLY 16 -6.476 17.090 -8.929 102 H GLY 17 H GLY 17 -5.114 14.323 -7.429 103 HA2 GLY 17 1HA GLY 17 -4.425 13.215 -10.137 104 HA3 GLY 17 2HA GLY 17 -3.276 13.504 -8.837 105 H THR 18 H THR 18 -3.209 11.091 -9.849 106 HA THR 18 HA THR 18 -4.387 9.414 -7.693 107 HB THR 18 HB THR 18 -4.187 7.518 -9.358 108 HG1 THR 18 1HG THR 18 -3.044 8.610 -11.007 109 HG21 THR 18 3HG2 THR 18 -6.412 8.126 -10.402 110 HG22 THR 18 1HG2 THR 18 -6.233 9.752 -9.743 111 HG23 THR 18 2HG2 THR 18 -6.328 8.339 -8.663 112 H SER 19 H SER 19 -1.888 11.100 -7.721 113 HA SER 19 HA SER 19 -0.238 8.953 -6.697 114 HB2 SER 19 1HB SER 19 0.556 9.272 -9.037 115 HB3 SER 19 2HB SER 19 0.754 11.008 -8.694 116 HG SER 19 HG SER 19 2.090 9.260 -7.009 117 H HIS 20 H HIS 20 1.062 9.692 -5.051 118 HA HIS 20 HA HIS 20 0.814 12.504 -4.077 119 HB2 HIS 20 1HB HIS 20 0.209 10.748 -2.463 120 HB3 HIS 20 2HB HIS 20 1.672 9.859 -2.831 121 HD1 HIS 20 1HD HIS 20 1.728 13.682 -1.911 122 HD2 HIS 20 2HD HIS 20 2.387 9.813 -0.372 123 HE1 HIS 20 1HE HIS 20 2.698 13.971 0.396 124 H THR 21 H THR 21 2.767 13.704 -4.044 125 HA THR 21 HA THR 21 5.287 12.276 -4.207 126 HB THR 21 HB THR 21 4.706 14.581 -6.106 127 HG1 THR 21 1HG THR 21 3.728 12.669 -6.789 128 HG21 THR 21 3HG2 THR 21 7.107 14.303 -5.236 129 HG22 THR 21 1HG2 THR 21 6.882 14.228 -7.000 130 HG23 THR 21 2HG2 THR 21 7.134 12.735 -6.081 131 H GLU 22 H GLU 22 5.683 12.920 -1.980 132 HA GLU 22 HA GLU 22 5.201 15.737 -1.318 133 HB2 GLU 22 1HB GLU 22 6.094 15.246 0.820 134 HB3 GLU 22 2HB GLU 22 4.810 14.121 0.447 135 HG2 GLU 22 1HG GLU 22 6.331 12.313 0.079 136 HG3 GLU 22 2HG GLU 22 7.729 13.386 0.154 137 H TYR 23 H TYR 23 6.833 17.190 -0.781 138 HA TYR 23 HA TYR 23 9.621 16.431 -1.372 139 HB2 TYR 23 1HB TYR 23 8.288 19.018 -2.193 140 HB3 TYR 23 2HB TYR 23 10.008 18.690 -2.246 141 HD1 TYR 23 2HD TYR 23 6.725 17.769 -3.765 142 HD2 TYR 23 1HD TYR 23 10.981 17.203 -3.914 143 HE1 TYR 23 2HE TYR 23 6.503 16.950 -6.070 144 HE2 TYR 23 1HE TYR 23 10.779 16.322 -6.230 145 HH TYR 23 HH TYR 23 9.336 15.658 -7.870 146 HA PRO 24 HA PRO 24 9.265 18.260 2.886 147 HB2 PRO 24 1HB PRO 24 10.668 16.376 4.261 148 HB3 PRO 24 2HB PRO 24 8.966 16.099 3.834 149 HG2 PRO 24 1HG PRO 24 11.422 15.191 2.351 150 HG3 PRO 24 2HG PRO 24 10.010 14.191 2.839 151 HD2 PRO 24 1HD PRO 24 10.232 15.222 0.326 152 HD3 PRO 24 2HD PRO 24 8.654 15.157 1.151 153 H ASP 25 H ASP 25 11.157 18.835 4.331 154 HA ASP 25 HA ASP 25 13.840 18.756 3.249 155 HB2 ASP 25 1HB ASP 25 12.852 20.660 2.015 156 HB3 ASP 25 2HB ASP 25 12.241 21.326 3.526 157 H ASP 26 H ASP 26 15.269 19.731 4.871 158 HA ASP 26 HA ASP 26 16.096 20.333 6.839 159 HB2 ASP 26 1HB ASP 26 14.770 22.246 6.247 160 HB3 ASP 26 2HB ASP 26 13.357 21.600 7.079 161 H SER 27 H SER 27 12.808 19.737 8.241 162 HA SER 27 HA SER 27 13.977 17.870 10.195 163 HB2 SER 27 1HB SER 27 11.101 18.703 9.732 164 HB3 SER 27 2HB SER 27 11.654 17.598 11.006 165 HG SER 27 HG SER 27 12.108 20.334 10.640 166 H SER 28 H SER 28 13.410 17.547 7.017 167 HA SER 28 HA SER 28 13.195 15.816 5.603 168 HB2 SER 28 1HB SER 28 13.885 13.524 6.507 169 HB3 SER 28 2HB SER 28 15.070 14.806 6.395 170 HG SER 28 HG SER 28 13.673 14.270 8.780 171 H ALA 29 H ALA 29 12.135 13.152 5.924 172 HA ALA 29 HA ALA 29 9.395 13.656 5.525 173 HB1 ALA 29 1HB ALA 29 11.018 11.160 6.075 174 HB2 ALA 29 2HB ALA 29 9.262 11.101 5.873 175 HB3 ALA 29 3HB ALA 29 10.251 11.710 4.554 176 H GLY 30 H GLY 30 7.606 12.297 6.859 177 HA2 GLY 30 1HA GLY 30 7.994 12.233 9.693 178 HA3 GLY 30 2HA GLY 30 7.134 13.696 9.141 179 H SER 31 H SER 31 5.347 12.878 10.371 180 HA SER 31 HA SER 31 3.848 10.680 9.040 181 HB2 SER 31 1HB SER 31 3.512 11.386 11.945 182 HB3 SER 31 2HB SER 31 3.218 9.851 11.128 183 HG SER 31 HG SER 31 5.724 9.974 10.869 184 H PHE 32 H PHE 32 2.186 11.578 7.947 185 HA PHE 32 HA PHE 32 0.550 13.699 9.227 186 HB2 PHE 32 1HB PHE 32 0.332 14.785 6.936 187 HB3 PHE 32 2HB PHE 32 1.817 15.007 7.807 188 HD1 PHE 32 2HD PHE 32 0.334 12.909 5.031 189 HD2 PHE 32 1HD PHE 32 3.909 14.530 6.834 190 HE1 PHE 32 2HE PHE 32 1.695 12.092 3.118 191 HE2 PHE 32 1HE PHE 32 5.212 13.869 4.815 192 HZ PHE 32 HZ PHE 32 4.107 12.691 2.957 193 H ILE 33 H ILE 33 -1.418 13.961 7.265 194 HA ILE 33 HA ILE 33 -2.560 11.271 6.918 195 HB ILE 33 HB ILE 33 -4.030 13.648 8.123 196 HG12 ILE 33 1HG1 ILE 33 -2.976 11.090 9.396 197 HG13 ILE 33 2HG1 ILE 33 -2.498 12.738 9.781 198 HG21 ILE 33 1HG2 ILE 33 -4.860 10.813 7.409 199 HG22 ILE 33 2HG2 ILE 33 -5.871 11.915 8.374 200 HG23 ILE 33 3HG2 ILE 33 -5.485 12.318 6.711 201 HD11 ILE 33 3HD1 ILE 33 -5.163 11.462 10.450 202 HD12 ILE 33 1HD1 ILE 33 -3.887 11.994 11.550 203 HD13 ILE 33 2HD1 ILE 33 -4.802 13.200 10.629 204 H LEU 34 H LEU 34 -2.849 11.115 4.836 205 HA LEU 34 HA LEU 34 -2.975 13.464 3.052 206 HB2 LEU 34 1HB LEU 34 -2.956 10.450 2.587 207 HB3 LEU 34 2HB LEU 34 -3.037 11.624 1.274 208 HG LEU 34 HG LEU 34 -0.749 11.590 3.291 209 HD11 LEU 34 1HD1 LEU 34 -0.849 9.439 2.085 210 HD12 LEU 34 2HD1 LEU 34 0.557 10.419 1.622 211 HD13 LEU 34 3HD1 LEU 34 -0.844 10.344 0.539 212 HD21 LEU 34 3HD2 LEU 34 -1.084 12.849 0.512 213 HD22 LEU 34 1HD2 LEU 34 0.389 12.895 1.491 214 HD23 LEU 34 2HD2 LEU 34 -1.049 13.713 2.059 215 H ASP 35 H ASP 35 -4.632 13.720 1.465 216 HA ASP 35 HA ASP 35 -7.350 12.862 2.296 217 HB2 ASP 35 1HB ASP 35 -6.325 14.961 0.351 218 HB3 ASP 35 2HB ASP 35 -8.008 14.426 0.403 219 H ILE 36 H ILE 36 -7.004 10.607 1.721 220 HA ILE 36 HA ILE 36 -6.881 10.061 -1.207 221 HB ILE 36 HB ILE 36 -6.336 8.170 1.125 222 HG12 ILE 36 1HG1 ILE 36 -4.550 9.516 -0.929 223 HG13 ILE 36 2HG1 ILE 36 -4.493 9.710 0.820 224 HG21 ILE 36 1HG2 ILE 36 -5.757 6.518 -0.637 225 HG22 ILE 36 2HG2 ILE 36 -7.431 7.006 -0.760 226 HG23 ILE 36 3HG2 ILE 36 -6.230 7.698 -1.891 227 HD11 ILE 36 3HD1 ILE 36 -3.580 7.332 -0.821 228 HD12 ILE 36 1HD1 ILE 36 -2.645 8.341 0.291 229 HD13 ILE 36 2HD1 ILE 36 -3.856 7.214 0.934 230 H THR 37 H THR 37 -8.705 9.438 -2.150 231 HA THR 37 HA THR 37 -11.085 8.873 -0.517 232 HB THR 37 HB THR 37 -10.915 9.174 -3.537 233 HG1 THR 37 1HG THR 37 -10.892 11.176 -1.558 234 HG21 THR 37 3HG2 THR 37 -13.071 9.962 -1.573 235 HG22 THR 37 1HG2 THR 37 -13.054 8.392 -2.386 236 HG23 THR 37 2HG2 THR 37 -13.216 9.890 -3.342 237 H SER 38 H SER 38 -11.576 6.699 -0.165 238 HA SER 38 HA SER 38 -11.347 4.885 -2.438 239 HB2 SER 38 1HB SER 38 -10.208 3.094 -1.180 240 HB3 SER 38 2HB SER 38 -9.179 4.470 -1.578 241 HG SER 38 HG SER 38 -9.951 3.449 0.815 242 H TYR 39 H TYR 39 -13.500 4.667 -2.531 243 HA TYR 39 HA TYR 39 -14.761 3.003 -0.606 244 HB2 TYR 39 1HB TYR 39 -16.616 4.414 0.099 245 HB3 TYR 39 2HB TYR 39 -15.104 5.057 0.674 246 HD1 TYR 39 2HD TYR 39 -17.980 5.650 -1.577 247 HD2 TYR 39 1HD TYR 39 -14.238 7.178 -0.087 248 HE1 TYR 39 2HE TYR 39 -18.601 7.942 -2.333 249 HE2 TYR 39 1HE TYR 39 -14.894 9.435 -0.683 250 HH TYR 39 HH TYR 39 -16.405 10.745 -1.845 251 H LYS 40 H LYS 40 -17.039 2.551 -1.271 252 HA LYS 40 HA LYS 40 -17.602 3.168 -4.126 253 HB2 LYS 40 1HB LYS 40 -18.502 1.012 -4.446 254 HB3 LYS 40 2HB LYS 40 -16.790 0.966 -3.975 255 HG2 LYS 40 1HG LYS 40 -17.473 -0.750 -2.681 256 HG3 LYS 40 2HG LYS 40 -17.831 0.555 -1.575 257 HD2 LYS 40 1HD LYS 40 -19.952 -0.405 -1.532 258 HD3 LYS 40 2HD LYS 40 -20.168 0.499 -3.027 259 HE2 LYS 40 1HE LYS 40 -20.835 -1.704 -3.576 260 HE3 LYS 40 2HE LYS 40 -19.201 -1.564 -4.228 261 HZ1 LYS 40 3HZ LYS 40 -19.506 -3.613 -3.074 262 HZ2 LYS 40 1HZ LYS 40 -19.910 -2.865 -1.666 263 HZ3 LYS 40 2HZ LYS 40 -18.384 -2.732 -2.263 264 H LYS 41 H LYS 41 -19.433 4.243 -4.321 265 HA LYS 41 HA LYS 41 -21.308 4.502 -2.019 266 HB2 LYS 41 1HB LYS 41 -20.257 6.515 -3.106 267 HB3 LYS 41 2HB LYS 41 -21.064 6.090 -4.624 268 HG2 LYS 41 1HG LYS 41 -23.267 6.297 -3.439 269 HG3 LYS 41 2HG LYS 41 -22.403 6.736 -1.961 270 HD2 LYS 41 1HD LYS 41 -21.255 8.511 -3.712 271 HD3 LYS 41 2HD LYS 41 -22.852 8.310 -4.457 272 HE2 LYS 41 1HE LYS 41 -23.962 8.904 -2.337 273 HE3 LYS 41 2HE LYS 41 -22.382 9.067 -1.547 274 HZ1 LYS 41 3HZ LYS 41 -23.108 11.233 -2.221 275 HZ2 LYS 41 1HZ LYS 41 -23.403 10.735 -3.767 276 HZ3 LYS 41 2HZ LYS 41 -21.868 10.812 -3.195 277 H THR 42 H THR 42 -23.329 3.594 -2.247 278 HA THR 42 HA THR 42 -24.544 3.116 -4.761 279 HB THR 42 HB THR 42 -22.988 1.322 -5.052 280 HG1 THR 42 1HG THR 42 -24.751 -0.475 -4.564 281 HG21 THR 42 3HG2 THR 42 -22.710 -0.576 -3.606 282 HG22 THR 42 1HG2 THR 42 -23.872 0.099 -2.429 283 HG23 THR 42 2HG2 THR 42 -22.313 0.897 -2.712 284 H GLY 43 H GLY 43 -26.685 2.316 -4.474 285 HA2 GLY 43 1HA GLY 43 -28.709 2.146 -3.402 286 HA3 GLY 43 2HA GLY 43 -27.820 1.221 -2.180 287 H ASN 44 H ASN 44 -27.347 2.164 -0.234 288 HA ASN 44 HA ASN 44 -27.565 5.059 0.114 289 HB2 ASN 44 1HB ASN 44 -29.902 3.920 0.468 290 HB3 ASN 44 2HB ASN 44 -29.164 3.338 1.967 291 HD21 ASN 44 1HD2 ASN 44 -31.189 5.702 0.927 292 HD22 ASN 44 2HD2 ASN 44 -30.685 6.912 2.083 293 H SER 45 H SER 45 -25.326 3.676 0.063 294 HA SER 45 HA SER 45 -24.282 4.169 2.736 295 HB2 SER 45 1HB SER 45 -24.023 1.422 1.431 296 HB3 SER 45 2HB SER 45 -23.070 1.952 2.821 297 HG SER 45 HG SER 45 -25.788 2.299 3.143 298 H THR 46 H THR 46 -21.919 4.084 2.779 299 HA THR 46 HA THR 46 -20.551 4.051 0.162 300 HB THR 46 HB THR 46 -18.981 5.769 1.386 301 HG1 THR 46 1HG THR 46 -20.467 5.762 3.278 302 HG21 THR 46 3HG2 THR 46 -20.199 6.095 -0.755 303 HG22 THR 46 1HG2 THR 46 -20.090 7.563 0.204 304 HG23 THR 46 2HG2 THR 46 -21.621 6.654 0.163 305 H LYS 47 H LYS 47 -19.860 1.971 0.456 306 HA LYS 47 HA LYS 47 -18.707 1.035 3.005 307 HB2 LYS 47 1HB LYS 47 -19.920 -0.421 1.221 308 HB3 LYS 47 2HB LYS 47 -18.506 -0.186 0.230 309 HG2 LYS 47 1HG LYS 47 -17.893 -2.150 1.078 310 HG3 LYS 47 2HG LYS 47 -17.216 -1.164 2.371 311 HD2 LYS 47 1HD LYS 47 -20.035 -2.358 2.417 312 HD3 LYS 47 2HD LYS 47 -18.617 -3.190 3.041 313 HE2 LYS 47 1HE LYS 47 -18.179 -1.180 4.517 314 HE3 LYS 47 2HE LYS 47 -19.763 -0.557 4.042 315 HZ1 LYS 47 3HZ LYS 47 -20.717 -2.605 5.006 316 HZ2 LYS 47 1HZ LYS 47 -19.877 -1.728 6.084 317 HZ3 LYS 47 2HZ LYS 47 -19.192 -3.085 5.452 318 H ALA 48 H ALA 48 -16.670 1.709 3.596 319 HA ALA 48 HA ALA 48 -14.931 3.107 1.697 320 HB1 ALA 48 1HB ALA 48 -14.948 3.705 4.113 321 HB2 ALA 48 2HB ALA 48 -14.340 2.070 4.497 322 HB3 ALA 48 3HB ALA 48 -13.350 3.190 3.550 323 H LEU 49 H LEU 49 -12.898 2.246 0.934 324 HA LEU 49 HA LEU 49 -12.491 -0.677 1.266 325 HB2 LEU 49 1HB LEU 49 -11.935 1.204 -1.074 326 HB3 LEU 49 2HB LEU 49 -11.137 -0.322 -0.870 327 HG LEU 49 HG LEU 49 -12.751 -0.841 -2.342 328 HD11 LEU 49 1HD1 LEU 49 -14.382 -2.309 -1.440 329 HD12 LEU 49 2HD1 LEU 49 -14.303 -1.532 0.152 330 HD13 LEU 49 3HD1 LEU 49 -12.908 -2.437 -0.475 331 HD21 LEU 49 3HD2 LEU 49 -15.037 -0.107 -2.430 332 HD22 LEU 49 1HD2 LEU 49 -13.914 1.256 -2.355 333 HD23 LEU 49 2HD2 LEU 49 -14.845 0.765 -0.899 334 H SER 50 H SER 50 -10.527 -1.222 2.026 335 HA SER 50 HA SER 50 -8.596 0.907 2.664 336 HB2 SER 50 1HB SER 50 -8.586 -2.090 3.230 337 HB3 SER 50 2HB SER 50 -7.420 -0.907 3.864 338 HG SER 50 HG SER 50 -9.119 0.147 4.914 339 H TRP 51 H TRP 51 -6.181 0.051 2.206 340 HA TRP 51 HA TRP 51 -5.946 -1.338 -0.357 341 HB2 TRP 51 1HB TRP 51 -4.175 0.222 -1.112 342 HB3 TRP 51 2HB TRP 51 -5.719 1.030 -1.028 343 HD1 TRP 51 HD TRP 51 -2.342 0.850 0.793 344 HE1 TRP 51 1HE TRP 51 -2.032 2.896 2.259 345 HE3 TRP 51 3HE TRP 51 -6.962 3.006 0.168 346 HZ2 TRP 51 2HZ TRP 51 -3.684 5.013 3.331 347 HZ3 TRP 51 3HZ TRP 51 -7.569 5.029 1.488 348 HH2 TRP 51 HH TRP 51 -6.007 5.981 3.106 349 H ASN 52 H ASN 52 -3.560 -2.009 -0.559 350 HA ASN 52 HA ASN 52 -2.247 -2.324 2.107 351 HB2 ASN 52 1HB ASN 52 -2.541 -4.552 0.045 352 HB3 ASN 52 2HB ASN 52 -1.583 -4.615 1.517 353 HD21 ASN 52 1HD2 ASN 52 -2.762 -4.529 3.637 354 HD22 ASN 52 2HD2 ASN 52 -4.483 -4.878 3.670 355 H ALA 53 H ALA 53 -0.037 -2.000 2.012 356 HA ALA 53 HA ALA 53 0.994 -1.033 -0.603 357 HB1 ALA 53 1HB ALA 53 0.447 0.808 0.979 358 HB2 ALA 53 2HB ALA 53 1.523 0.072 2.194 359 HB3 ALA 53 3HB ALA 53 2.176 0.694 0.679 360 H SER 54 H SER 54 3.294 -1.355 -0.963 361 HA SER 54 HA SER 54 4.908 -2.841 0.912 362 HB2 SER 54 1HB SER 54 5.081 -4.925 -0.514 363 HB3 SER 54 2HB SER 54 3.593 -4.755 0.416 364 HG SER 54 HG SER 54 3.338 -5.439 -1.785 365 H GLY 55 H GLY 55 7.010 -3.031 0.349 366 HA2 GLY 55 1HA GLY 55 8.517 -3.013 -1.677 367 HA3 GLY 55 2HA GLY 55 7.945 -1.343 -1.879 368 H ASP 56 H ASP 56 9.142 0.145 -0.804 369 HA ASP 56 HA ASP 56 11.420 -0.210 0.643 370 HB2 ASP 56 1HB ASP 56 9.378 2.018 0.590 371 HB3 ASP 56 2HB ASP 56 10.879 2.176 1.475 372 H SER 57 H SER 57 12.077 -0.173 2.770 373 HA SER 57 HA SER 57 10.344 -1.220 4.828 374 HB2 SER 57 1HB SER 57 13.192 -0.130 4.751 375 HB3 SER 57 2HB SER 57 12.468 -0.760 6.215 376 HG SER 57 HG SER 57 12.778 -2.226 3.788 377 H TRP 58 H TRP 58 10.836 2.044 3.811 378 HA TRP 58 HA TRP 58 10.544 3.148 6.563 379 HB2 TRP 58 1HB TRP 58 11.705 5.108 5.482 380 HB3 TRP 58 2HB TRP 58 12.652 3.672 5.702 381 HD1 TRP 58 HD TRP 58 13.252 2.297 3.362 382 HE1 TRP 58 1HE TRP 58 13.358 3.083 0.910 383 HE3 TRP 58 3HE TRP 58 10.817 6.782 3.778 384 HZ2 TRP 58 2HZ TRP 58 13.089 5.618 -0.487 385 HZ3 TRP 58 3HZ TRP 58 10.794 8.371 1.902 386 HH2 TRP 58 HH TRP 58 11.974 7.854 -0.204 387 H ILE 59 H ILE 59 8.363 2.310 4.660 388 HA ILE 59 HA ILE 59 6.983 4.913 4.300 389 HB ILE 59 HB ILE 59 7.295 2.710 2.210 390 HG12 ILE 59 1HG1 ILE 59 8.446 5.517 2.445 391 HG13 ILE 59 2HG1 ILE 59 9.305 3.988 2.295 392 HG21 ILE 59 1HG2 ILE 59 5.037 3.556 2.149 393 HG22 ILE 59 2HG2 ILE 59 5.583 5.219 2.292 394 HG23 ILE 59 3HG2 ILE 59 5.884 4.300 0.795 395 HD11 ILE 59 3HD1 ILE 59 9.506 5.013 0.200 396 HD12 ILE 59 1HD1 ILE 59 8.244 3.779 -0.039 397 HD13 ILE 59 2HD1 ILE 59 7.795 5.468 0.180 398 H HIS 60 H HIS 60 5.385 4.688 5.739 399 HA HIS 60 HA HIS 60 4.383 1.963 6.294 400 HB2 HIS 60 1HB HIS 60 4.511 4.295 8.204 401 HB3 HIS 60 2HB HIS 60 4.229 2.593 8.574 402 HD1 HIS 60 1HD HIS 60 6.565 0.970 8.044 403 HD2 HIS 60 2HD HIS 60 6.959 5.154 8.199 404 HE1 HIS 60 1HE HIS 60 9.025 1.456 8.544 405 H VAL 61 H VAL 61 2.110 1.770 6.644 406 HA VAL 61 HA VAL 61 0.519 4.222 6.262 407 HB VAL 61 HB VAL 61 1.207 3.198 3.977 408 HG11 VAL 61 1HG1 VAL 61 0.739 0.871 4.434 409 HG12 VAL 61 2HG1 VAL 61 -1.000 1.220 4.612 410 HG13 VAL 61 3HG1 VAL 61 -0.196 1.488 3.057 411 HG21 VAL 61 3HG2 VAL 61 -1.758 3.678 4.422 412 HG22 VAL 61 1HG2 VAL 61 -0.530 4.962 4.399 413 HG23 VAL 61 2HG2 VAL 61 -0.770 3.986 2.957 414 H ASN 62 H ASN 62 -1.451 4.211 7.165 415 HA ASN 62 HA ASN 62 -2.817 1.752 7.917 416 HB2 ASN 62 1HB ASN 62 -1.136 3.194 9.825 417 HB3 ASN 62 2HB ASN 62 -2.808 3.416 10.280 418 HD21 ASN 62 1HD2 ASN 62 -0.815 0.671 8.984 419 HD22 ASN 62 2HD2 ASN 62 -1.384 -0.461 10.202 420 H GLY 63 H GLY 63 -4.396 2.498 6.416 421 HA2 GLY 63 1HA GLY 63 -6.126 3.705 5.599 422 HA3 GLY 63 2HA GLY 63 -6.481 3.991 7.303 423 H SER 64 H SER 64 -6.748 6.099 7.775 424 HA SER 64 HA SER 64 -5.576 8.247 6.127 425 HB2 SER 64 1HB SER 64 -7.004 9.684 7.576 426 HB3 SER 64 2HB SER 64 -7.890 8.484 6.626 427 HG SER 64 HG SER 64 -7.136 8.161 9.343 428 H SER 65 H SER 65 -3.539 6.886 7.116 429 HA SER 65 HA SER 65 -2.289 8.904 8.792 430 HB2 SER 65 1HB SER 65 -1.981 5.962 9.493 431 HB3 SER 65 2HB SER 65 -1.337 7.350 10.370 432 HG SER 65 HG SER 65 -3.403 7.907 10.973 433 H VAL 66 H VAL 66 -0.039 8.992 8.232 434 HA VAL 66 HA VAL 66 1.130 6.694 6.826 435 HB VAL 66 HB VAL 66 2.597 8.605 5.668 436 HG11 VAL 66 1HG1 VAL 66 1.214 8.382 3.628 437 HG12 VAL 66 2HG1 VAL 66 1.751 6.897 4.432 438 HG13 VAL 66 3HG1 VAL 66 0.045 7.435 4.586 439 HG21 VAL 66 3HG2 VAL 66 1.246 10.378 4.687 440 HG22 VAL 66 1HG2 VAL 66 -0.104 9.989 5.749 441 HG23 VAL 66 2HG2 VAL 66 1.442 10.556 6.432 442 H SER 67 H SER 67 3.427 6.615 7.114 443 HA SER 67 HA SER 67 4.592 8.884 8.387 444 HB2 SER 67 1HB SER 67 5.372 6.124 9.378 445 HB3 SER 67 2HB SER 67 6.033 7.684 9.865 446 HG SER 67 HG SER 67 4.678 6.798 11.386 447 H TYR 68 H TYR 68 6.684 9.180 7.420 448 HA TYR 68 HA TYR 68 7.676 6.858 5.965 449 HB2 TYR 68 1HB TYR 68 8.128 9.618 4.836 450 HB3 TYR 68 2HB TYR 68 8.465 8.067 4.108 451 HD1 TYR 68 1HD TYR 68 5.748 10.375 5.227 452 HD2 TYR 68 2HD TYR 68 6.768 7.052 2.672 453 HE1 TYR 68 1HE TYR 68 3.585 10.547 4.116 454 HE2 TYR 68 2HE TYR 68 4.621 7.230 1.562 455 HH TYR 68 HH TYR 68 2.829 10.126 1.778 456 H ASP 69 H ASP 69 10.240 7.172 5.860 457 HA ASP 69 HA ASP 69 11.288 8.837 8.118 458 HB2 ASP 69 1HB ASP 69 11.165 6.347 8.682 459 HB3 ASP 69 2HB ASP 69 12.193 6.062 7.296 460 H GLU 70 H GLU 70 13.747 9.062 7.804 461 HA GLU 70 HA GLU 70 14.391 9.371 4.905 462 HB2 GLU 70 1HB GLU 70 13.754 11.483 6.154 463 HB3 GLU 70 2HB GLU 70 15.315 11.377 6.966 464 HG2 GLU 70 1HG GLU 70 15.280 11.142 3.960 465 HG3 GLU 70 2HG GLU 70 14.812 12.709 4.614 466 H ASN 71 H ASN 71 16.855 9.701 4.622 467 HA ASN 71 HA ASN 71 17.751 7.075 5.606 468 HB2 ASN 71 1HB ASN 71 18.444 6.682 3.528 469 HB3 ASN 71 2HB ASN 71 17.351 7.962 3.084 470 HD21 ASN 71 1HD2 ASN 71 18.570 10.354 3.276 471 HD22 ASN 71 2HD2 ASN 71 20.141 10.294 2.531 472 HA PRO 72 HA PRO 72 21.078 8.618 7.814 473 HB2 PRO 72 1HB PRO 72 23.057 6.760 7.565 474 HB3 PRO 72 2HB PRO 72 21.462 6.371 8.288 475 HG2 PRO 72 1HG PRO 72 22.424 5.839 5.463 476 HG3 PRO 72 2HG PRO 72 21.529 4.738 6.561 477 HD2 PRO 72 1HD PRO 72 20.323 6.212 4.618 478 HD3 PRO 72 2HD PRO 72 19.516 5.746 6.145 479 H ALA 73 H ALA 73 21.906 8.006 4.402 480 HA ALA 73 HA ALA 73 24.450 9.438 4.704 481 HB1 ALA 73 1HB ALA 73 24.797 8.760 2.334 482 HB2 ALA 73 2HB ALA 73 24.388 7.363 3.346 483 HB3 ALA 73 3HB ALA 73 23.153 8.081 2.287 484 H LYS 74 H LYS 74 24.937 11.187 3.144 485 HA LYS 74 HA LYS 74 22.621 12.954 2.748 486 HB2 LYS 74 1HB LYS 74 24.251 14.613 1.976 487 HB3 LYS 74 2HB LYS 74 24.532 14.057 3.617 488 HG2 LYS 74 1HG LYS 74 26.527 13.017 3.115 489 HG3 LYS 74 2HG LYS 74 25.969 12.506 1.526 490 HD2 LYS 74 1HD LYS 74 26.143 14.902 0.752 491 HD3 LYS 74 2HD LYS 74 26.955 15.275 2.301 492 HE2 LYS 74 1HE LYS 74 28.809 13.893 1.783 493 HE3 LYS 74 2HE LYS 74 27.873 12.944 0.623 494 HZ1 LYS 74 3HZ LYS 74 28.802 15.693 0.168 495 HZ2 LYS 74 1HZ LYS 74 27.822 14.832 -0.847 496 HZ3 LYS 74 2HZ LYS 74 29.345 14.285 -0.551 497 H GLU 75 H GLU 75 23.161 10.327 1.275 498 HA GLU 75 HA GLU 75 23.087 11.156 -1.519 499 HB2 GLU 75 1HB GLU 75 22.643 8.510 -0.102 500 HB3 GLU 75 2HB GLU 75 22.359 8.731 -1.837 501 HG2 GLU 75 1HG GLU 75 24.713 9.410 -2.168 502 HG3 GLU 75 2HG GLU 75 25.031 9.205 -0.440 503 H ARG 76 H ARG 76 20.927 10.588 -2.686 504 HA ARG 76 HA ARG 76 18.701 11.534 -0.935 505 HB2 ARG 76 1HB ARG 76 19.908 13.211 -2.548 506 HB3 ARG 76 2HB ARG 76 19.064 12.314 -3.836 507 HG2 ARG 76 1HG ARG 76 16.952 12.669 -2.600 508 HG3 ARG 76 2HG ARG 76 17.834 13.626 -1.402 509 HD2 ARG 76 1HD ARG 76 16.451 14.937 -3.007 510 HD3 ARG 76 2HD ARG 76 18.174 15.402 -3.003 511 HE ARG 76 HE ARG 76 17.853 13.452 -4.984 512 HH11 ARG 76 1HH1 ARG 76 16.551 16.740 -4.409 513 HH12 ARG 76 2HH1 ARG 76 16.322 17.055 -6.092 514 HH21 ARG 76 1HH2 ARG 76 17.455 13.849 -7.106 515 HH22 ARG 76 2HH2 ARG 76 16.847 15.397 -7.677 516 H ARG 77 H ARG 77 16.703 10.512 -1.202 517 HA ARG 77 HA ARG 77 16.911 7.958 -2.755 518 HB2 ARG 77 1HB ARG 77 15.975 8.450 0.093 519 HB3 ARG 77 2HB ARG 77 16.073 6.879 -0.693 520 HG2 ARG 77 1HG ARG 77 18.500 8.664 -0.147 521 HG3 ARG 77 2HG ARG 77 17.874 7.489 0.980 522 HD2 ARG 77 1HD ARG 77 18.676 6.636 -1.803 523 HD3 ARG 77 2HD ARG 77 19.853 6.815 -0.507 524 HE ARG 77 HE ARG 77 17.777 4.763 -0.762 525 HH11 ARG 77 1HH1 ARG 77 20.196 6.193 1.474 526 HH12 ARG 77 2HH1 ARG 77 20.299 4.779 2.447 527 HH21 ARG 77 1HH2 ARG 77 17.751 3.064 0.630 528 HH22 ARG 77 2HH2 ARG 77 18.704 3.001 2.092 529 H THR 78 H THR 78 15.380 8.582 -4.409 530 HA THR 78 HA THR 78 12.697 9.327 -3.695 531 HB THR 78 HB THR 78 13.712 8.005 -6.240 532 HG1 THR 78 1HG THR 78 13.651 10.257 -6.959 533 HG21 THR 78 3HG2 THR 78 11.237 8.043 -6.042 534 HG22 THR 78 1HG2 THR 78 11.779 9.172 -7.293 535 HG23 THR 78 2HG2 THR 78 11.282 9.781 -5.693 536 H GLY 79 H GLY 79 11.573 7.873 -2.351 537 HA2 GLY 79 1HA GLY 79 11.792 4.943 -2.641 538 HA3 GLY 79 2HA GLY 79 10.753 5.834 -1.521 539 H LEU 80 H LEU 80 9.753 3.602 -3.019 540 HA LEU 80 HA LEU 80 7.717 4.913 -4.700 541 HB2 LEU 80 1HB LEU 80 9.921 4.629 -6.068 542 HB3 LEU 80 2HB LEU 80 9.585 2.892 -5.936 543 HG LEU 80 HG LEU 80 7.292 3.383 -6.981 544 HD11 LEU 80 1HD1 LEU 80 8.631 6.050 -7.650 545 HD12 LEU 80 2HD1 LEU 80 7.216 5.841 -6.598 546 HD13 LEU 80 3HD1 LEU 80 7.084 5.458 -8.313 547 HD21 LEU 80 3HD2 LEU 80 8.256 3.519 -9.266 548 HD22 LEU 80 1HD2 LEU 80 9.174 2.410 -8.228 549 HD23 LEU 80 2HD2 LEU 80 9.812 4.032 -8.566 550 H VAL 81 H VAL 81 6.528 3.772 -2.899 551 HA VAL 81 HA VAL 81 6.297 0.868 -3.227 552 HB VAL 81 HB VAL 81 5.290 2.921 -1.217 553 HG11 VAL 81 1HG1 VAL 81 4.330 0.098 -1.352 554 HG12 VAL 81 2HG1 VAL 81 4.363 1.068 0.142 555 HG13 VAL 81 3HG1 VAL 81 3.390 1.593 -1.242 556 HG21 VAL 81 3HG2 VAL 81 6.650 1.624 0.327 557 HG22 VAL 81 1HG2 VAL 81 6.861 0.341 -0.869 558 HG23 VAL 81 2HG2 VAL 81 7.639 1.913 -1.114 559 H THR 82 H THR 82 4.233 -0.165 -3.716 560 HA THR 82 HA THR 82 2.360 1.458 -5.371 561 HB THR 82 HB THR 82 2.597 -1.547 -4.895 562 HG1 THR 82 1HG THR 82 3.262 -0.082 -7.221 563 HG21 THR 82 3HG2 THR 82 0.335 -1.098 -5.604 564 HG22 THR 82 1HG2 THR 82 1.198 -1.708 -7.014 565 HG23 THR 82 2HG2 THR 82 0.871 0.030 -6.845 566 H LEU 83 H LEU 83 0.151 1.575 -4.691 567 HA LEU 83 HA LEU 83 -0.696 -0.199 -2.530 568 HB2 LEU 83 1HB LEU 83 -2.176 1.621 -1.608 569 HB3 LEU 83 2HB LEU 83 -0.518 1.569 -1.090 570 HG LEU 83 HG LEU 83 -1.285 3.407 -3.330 571 HD11 LEU 83 1HD1 LEU 83 -1.787 5.194 -1.685 572 HD12 LEU 83 2HD1 LEU 83 -1.597 4.035 -0.361 573 HD13 LEU 83 3HD1 LEU 83 -2.932 3.852 -1.516 574 HD21 LEU 83 3HD2 LEU 83 1.130 3.249 -2.779 575 HD22 LEU 83 1HD2 LEU 83 0.761 3.611 -1.082 576 HD23 LEU 83 2HD2 LEU 83 0.497 4.834 -2.353 577 H LYS 84 H LYS 84 -1.997 -1.413 -3.737 578 HA LYS 84 HA LYS 84 -4.082 -0.214 -5.503 579 HB2 LYS 84 1HB LYS 84 -2.602 -2.213 -6.140 580 HB3 LYS 84 2HB LYS 84 -3.457 -3.140 -4.906 581 HG2 LYS 84 1HG LYS 84 -5.616 -2.693 -6.123 582 HG3 LYS 84 2HG LYS 84 -4.675 -1.805 -7.348 583 HD2 LYS 84 1HD LYS 84 -3.298 -3.875 -7.696 584 HD3 LYS 84 2HD LYS 84 -4.381 -4.740 -6.585 585 HE2 LYS 84 1HE LYS 84 -6.288 -4.242 -8.128 586 HE3 LYS 84 2HE LYS 84 -5.145 -3.458 -9.249 587 HZ1 LYS 84 3HZ LYS 84 -5.585 -5.784 -9.825 588 HZ2 LYS 84 1HZ LYS 84 -5.123 -6.262 -8.361 589 HZ3 LYS 84 2HZ LYS 84 -3.978 -5.604 -9.371 590 H GLN 85 H GLN 85 -6.256 -0.344 -4.968 591 HA GLN 85 HA GLN 85 -7.061 -0.468 -2.228 592 HB2 GLN 85 1HB GLN 85 -8.069 0.834 -4.142 593 HB3 GLN 85 2HB GLN 85 -8.756 -0.669 -4.750 594 HG2 GLN 85 1HG GLN 85 -10.162 -0.800 -2.728 595 HG3 GLN 85 2HG GLN 85 -9.346 0.629 -2.054 596 HE21 GLN 85 1HE2 GLN 85 -9.558 2.648 -3.526 597 HE22 GLN 85 2HE2 GLN 85 -11.127 2.925 -4.262 598 H ASP 86 H ASP 86 -8.640 -1.957 -1.315 599 HA ASP 86 HA ASP 86 -8.255 -4.704 -1.561 600 HB2 ASP 86 1HB ASP 86 -9.381 -3.724 0.350 601 HB3 ASP 86 2HB ASP 86 -10.680 -3.112 -0.670 602 H GLU 87 H GLU 87 -10.499 -2.668 -3.348 603 HA GLU 87 HA GLU 87 -11.469 -5.012 -4.938 604 HB2 GLU 87 1HB GLU 87 -12.989 -2.795 -3.564 605 HB3 GLU 87 2HB GLU 87 -13.691 -3.755 -4.868 606 HG2 GLU 87 1HG GLU 87 -12.632 -5.652 -3.041 607 HG3 GLU 87 2HG GLU 87 -13.391 -4.381 -2.060 608 H SER 88 H SER 88 -10.657 -1.591 -5.022 609 HA SER 88 HA SER 88 -11.346 -1.454 -7.894 610 HB2 SER 88 1HB SER 88 -11.680 0.568 -6.517 611 HB3 SER 88 2HB SER 88 -9.938 0.616 -6.169 612 HG SER 88 HG SER 88 -11.243 0.891 -8.684 613 H GLY 89 H GLY 89 -8.824 0.026 -8.390 614 HA2 GLY 89 1HA GLY 89 -6.782 -2.062 -8.244 615 HA3 GLY 89 2HA GLY 89 -7.505 -1.939 -9.847 616 H LYS 90 H LYS 90 -7.643 1.252 -8.936 617 HA LYS 90 HA LYS 90 -5.449 1.988 -10.493 618 HB2 LYS 90 1HB LYS 90 -7.708 3.181 -9.190 619 HB3 LYS 90 2HB LYS 90 -6.267 4.027 -8.614 620 HG2 LYS 90 1HG LYS 90 -6.523 3.502 -11.586 621 HG3 LYS 90 2HG LYS 90 -7.559 4.706 -10.824 622 HD2 LYS 90 1HD LYS 90 -5.670 5.945 -9.975 623 HD3 LYS 90 2HD LYS 90 -4.565 4.626 -10.297 624 HE2 LYS 90 1HE LYS 90 -4.089 6.326 -11.846 625 HE3 LYS 90 2HE LYS 90 -4.762 4.957 -12.722 626 HZ1 LYS 90 3HZ LYS 90 -6.664 6.164 -13.219 627 HZ2 LYS 90 1HZ LYS 90 -5.537 7.349 -13.249 628 HZ3 LYS 90 2HZ LYS 90 -6.513 7.211 -11.962 629 H THR 91 H THR 91 -3.408 1.695 -10.014 630 HA THR 91 HA THR 91 -2.479 1.381 -7.257 631 HB THR 91 HB THR 91 -0.236 1.218 -8.391 632 HG1 THR 91 1HG THR 91 -0.065 1.642 -10.408 633 HG21 THR 91 3HG2 THR 91 -0.681 -1.016 -9.331 634 HG22 THR 91 1HG2 THR 91 -2.412 -0.641 -9.467 635 HG23 THR 91 2HG2 THR 91 -1.663 -0.770 -7.866 636 H LEU 92 H LEU 92 -2.027 3.120 -5.939 637 HA LEU 92 HA LEU 92 -1.798 5.761 -7.274 638 HB2 LEU 92 1HB LEU 92 -1.736 5.166 -4.310 639 HB3 LEU 92 2HB LEU 92 -1.799 6.716 -5.074 640 HG LEU 92 HG LEU 92 -3.986 4.596 -5.179 641 HD11 LEU 92 1HD1 LEU 92 -3.761 5.654 -2.971 642 HD12 LEU 92 2HD1 LEU 92 -5.254 6.149 -3.769 643 HD13 LEU 92 3HD1 LEU 92 -3.882 7.264 -3.707 644 HD21 LEU 92 3HD2 LEU 92 -4.034 7.443 -6.264 645 HD22 LEU 92 1HD2 LEU 92 -5.417 6.330 -6.184 646 HD23 LEU 92 2HD2 LEU 92 -4.055 5.949 -7.237 647 H SER 93 H SER 93 0.194 6.460 -7.897 648 HA SER 93 HA SER 93 2.566 5.021 -6.932 649 HB2 SER 93 1HB SER 93 2.576 7.545 -8.605 650 HB3 SER 93 2HB SER 93 3.848 6.340 -8.450 651 HG SER 93 HG SER 93 2.880 5.117 -9.879 652 H LEU 94 H LEU 94 4.156 5.991 -5.533 653 HA LEU 94 HA LEU 94 3.285 8.409 -4.028 654 HB2 LEU 94 1HB LEU 94 2.474 6.160 -3.108 655 HB3 LEU 94 2HB LEU 94 4.150 5.773 -2.774 656 HG LEU 94 HG LEU 94 2.459 8.032 -1.654 657 HD11 LEU 94 1HD1 LEU 94 2.080 5.752 -0.750 658 HD12 LEU 94 2HD1 LEU 94 2.706 6.854 0.477 659 HD13 LEU 94 3HD1 LEU 94 3.790 5.665 -0.286 660 HD21 LEU 94 3HD2 LEU 94 4.375 8.606 -0.140 661 HD22 LEU 94 1HD2 LEU 94 4.661 9.014 -1.807 662 HD23 LEU 94 2HD2 LEU 94 5.407 7.547 -1.086 663 H LYS 95 H LYS 95 4.989 9.749 -4.498 664 HA LYS 95 HA LYS 95 7.749 8.568 -4.578 665 HB2 LYS 95 1HB LYS 95 6.331 10.635 -6.285 666 HB3 LYS 95 2HB LYS 95 8.110 10.567 -6.192 667 HG2 LYS 95 1HG LYS 95 8.101 8.256 -6.831 668 HG3 LYS 95 2HG LYS 95 6.322 8.217 -6.913 669 HD2 LYS 95 1HD LYS 95 6.863 8.482 -9.136 670 HD3 LYS 95 2HD LYS 95 6.588 10.159 -8.634 671 HE2 LYS 95 1HE LYS 95 9.149 10.265 -8.219 672 HE3 LYS 95 2HE LYS 95 9.241 8.706 -9.073 673 HZ1 LYS 95 3HZ LYS 95 7.941 9.969 -10.863 674 HZ2 LYS 95 1HZ LYS 95 9.538 10.305 -10.743 675 HZ3 LYS 95 2HZ LYS 95 8.400 11.330 -10.079 676 H ILE 96 H ILE 96 8.249 9.004 -2.429 677 HA ILE 96 HA ILE 96 8.180 11.772 -1.395 678 HB ILE 96 HB ILE 96 9.849 9.367 -0.521 679 HG12 ILE 96 1HG1 ILE 96 7.818 9.878 1.403 680 HG13 ILE 96 2HG1 ILE 96 6.987 10.002 -0.125 681 HG21 ILE 96 1HG2 ILE 96 10.124 10.554 1.616 682 HG22 ILE 96 2HG2 ILE 96 10.848 11.425 0.264 683 HG23 ILE 96 3HG2 ILE 96 9.302 11.969 0.958 684 HD11 ILE 96 3HD1 ILE 96 6.929 7.693 0.538 685 HD12 ILE 96 1HD1 ILE 96 8.063 7.789 -0.811 686 HD13 ILE 96 2HD1 ILE 96 8.670 7.672 0.860 687 H VAL 97 H VAL 97 9.590 13.322 -2.265 688 HA VAL 97 HA VAL 97 12.268 12.340 -3.095 689 HB VAL 97 HB VAL 97 10.584 14.566 -4.264 690 HG11 VAL 97 1HG1 VAL 97 13.597 14.106 -4.524 691 HG12 VAL 97 2HG1 VAL 97 12.638 15.181 -5.604 692 HG13 VAL 97 3HG1 VAL 97 12.792 15.555 -3.918 693 HG21 VAL 97 3HG2 VAL 97 10.376 12.319 -5.277 694 HG22 VAL 97 1HG2 VAL 97 11.151 13.468 -6.381 695 HG23 VAL 97 2HG2 VAL 97 12.145 12.265 -5.494 696 H GLN 98 H GLN 98 13.111 12.445 -1.083 697 HA GLN 98 HA GLN 98 12.882 15.010 0.406 698 HB2 GLN 98 1HB GLN 98 13.435 13.701 2.388 699 HB3 GLN 98 2HB GLN 98 11.976 13.119 1.587 700 HG2 GLN 98 1HG GLN 98 13.334 11.242 0.583 701 HG3 GLN 98 2HG GLN 98 14.701 11.777 1.579 702 HE21 GLN 98 1HE2 GLN 98 13.700 9.147 2.025 703 HE22 GLN 98 2HE2 GLN 98 12.756 9.189 3.513 704 HA PRO 99 HA PRO 99 17.339 15.462 -0.235 705 HB2 PRO 99 1HB PRO 99 18.063 16.970 1.921 706 HB3 PRO 99 2HB PRO 99 17.005 17.588 0.625 707 HG2 PRO 99 1HG PRO 99 16.131 16.304 3.243 708 HG3 PRO 99 2HG PRO 99 15.694 17.935 2.613 709 HD2 PRO 99 1HD PRO 99 14.083 15.826 2.232 710 HD3 PRO 99 2HD PRO 99 14.369 16.968 0.888 711 H GLY 100 H GLY 100 19.325 15.454 1.831 712 HA2 GLY 100 1HA GLY 100 19.178 12.678 2.857 713 HA3 GLY 100 2HA GLY 100 20.510 13.193 1.823 714 H LYS 101 H LYS 101 20.319 12.328 4.667 715 HA LYS 101 HA LYS 101 20.789 14.657 6.368 716 HB2 LYS 101 1HB LYS 101 19.444 12.251 6.576 717 HB3 LYS 101 2HB LYS 101 20.928 11.845 7.418 718 HG2 LYS 101 1HG LYS 101 20.546 13.713 8.987 719 HG3 LYS 101 2HG LYS 101 19.128 14.229 8.063 720 HD2 LYS 101 1HD LYS 101 19.420 11.632 9.624 721 HD3 LYS 101 2HD LYS 101 18.447 13.040 10.052 722 HE2 LYS 101 1HE LYS 101 17.136 12.627 7.892 723 HE3 LYS 101 2HE LYS 101 18.000 11.095 7.764 724 HZ1 LYS 101 3HZ LYS 101 16.210 11.927 9.980 725 HZ2 LYS 101 1HZ LYS 101 17.086 10.552 10.022 726 HZ3 LYS 101 2HZ LYS 101 15.906 10.750 8.885 727 H THR 102 H THR 102 22.638 14.643 7.999 728 HA THR 102 HA THR 102 24.723 12.732 7.751 729 HB THR 102 HB THR 102 26.289 15.044 7.457 730 HG1 THR 102 1HG THR 102 24.450 15.996 6.392 731 HG21 THR 102 3HG2 THR 102 27.138 13.947 5.438 732 HG22 THR 102 1HG2 THR 102 25.735 12.849 5.429 733 HG23 THR 102 2HG2 THR 102 26.911 12.787 6.759 734 H SER 103 H SER 103 24.318 12.426 9.987 735 HA SER 103 HA SER 103 25.100 14.659 11.709 736 HB2 SER 103 1HB SER 103 22.408 13.392 11.583 737 HB3 SER 103 2HB SER 103 22.992 14.074 13.100 738 HG SER 103 HG SER 103 23.245 16.030 12.119 739 H ILE 104 H ILE 104 25.044 13.851 14.050 740 HA ILE 104 HA ILE 104 26.355 11.220 14.276 741 HB ILE 104 HB ILE 104 25.640 13.279 16.404 742 HG12 ILE 104 1HG1 ILE 104 28.318 12.681 15.055 743 HG13 ILE 104 2HG1 ILE 104 27.326 14.110 14.764 744 HG21 ILE 104 1HG2 ILE 104 25.830 10.930 17.273 745 HG22 ILE 104 2HG2 ILE 104 27.458 10.831 16.585 746 HG23 ILE 104 3HG2 ILE 104 27.090 11.976 17.899 747 HD11 ILE 104 3HD1 ILE 104 28.743 13.416 17.356 748 HD12 ILE 104 1HD1 ILE 104 29.073 14.755 16.249 749 HD13 ILE 104 2HD1 ILE 104 27.561 14.740 17.180 750 H ASP 105 H ASP 105 24.508 10.084 13.347 751 HA ASP 105 HA ASP 105 22.345 9.573 15.361 752 HB2 ASP 105 1HB ASP 105 21.590 10.571 13.174 753 HB3 ASP 105 2HB ASP 105 22.203 9.126 12.371 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -38.457 3.009 -17.137 2 HA2 GLY 1 1HA GLY 1 -40.377 0.935 -16.197 3 HA3 GLY 1 2HA GLY 1 -38.890 0.593 -17.131 4 H HIS 2 H HIS 2 -37.517 -0.435 -15.594 5 HA HIS 2 HA HIS 2 -36.913 0.778 -13.039 6 HB2 HIS 2 1HB HIS 2 -35.064 -0.784 -14.886 7 HB3 HIS 2 2HB HIS 2 -34.921 -0.586 -13.142 8 HD1 HIS 2 1HD HIS 2 -35.415 -3.394 -15.052 9 HD2 HIS 2 2HD HIS 2 -37.907 -1.446 -12.255 10 HE1 HIS 2 1HE HIS 2 -37.158 -5.096 -14.302 11 H MET 3 H MET 3 -34.754 1.889 -12.751 12 HA MET 3 HA MET 3 -33.338 2.955 -14.981 13 HB2 MET 3 1HB MET 3 -34.689 4.792 -12.937 14 HB3 MET 3 2HB MET 3 -33.194 5.247 -13.753 15 HG2 MET 3 1HG MET 3 -35.818 4.639 -15.144 16 HG3 MET 3 2HG MET 3 -35.128 6.232 -14.846 17 HE1 MET 3 3HE MET 3 -35.348 6.942 -17.362 18 HE2 MET 3 1HE MET 3 -34.738 5.975 -18.723 19 HE3 MET 3 2HE MET 3 -36.087 5.364 -17.738 20 H GLY 4 H GLY 4 -31.155 3.799 -13.973 21 HA2 GLY 4 1HA GLY 4 -30.418 3.645 -11.347 22 HA3 GLY 4 2HA GLY 4 -30.319 1.966 -11.921 23 H SER 5 H SER 5 -27.950 2.815 -11.205 24 HA SER 5 HA SER 5 -26.485 3.170 -13.693 25 HB2 SER 5 1HB SER 5 -25.004 4.878 -12.372 26 HB3 SER 5 2HB SER 5 -26.474 5.418 -13.190 27 HG SER 5 HG SER 5 -26.680 6.309 -11.251 28 HA PRO 6 HA PRO 6 -24.270 0.005 -11.598 29 HB2 PRO 6 1HB PRO 6 -21.786 0.043 -12.749 30 HB3 PRO 6 2HB PRO 6 -23.264 -0.412 -13.653 31 HG2 PRO 6 1HG PRO 6 -21.923 2.299 -13.551 32 HG3 PRO 6 2HG PRO 6 -22.444 1.352 -14.993 33 HD2 PRO 6 1HD PRO 6 -23.978 3.328 -13.937 34 HD3 PRO 6 2HD PRO 6 -24.713 1.832 -14.605 35 H VAL 7 H VAL 7 -22.217 -0.434 -10.352 36 HA VAL 7 HA VAL 7 -22.118 1.457 -8.219 37 HB VAL 7 HB VAL 7 -20.330 -0.976 -8.656 38 HG11 VAL 7 1HG1 VAL 7 -20.407 -1.030 -6.171 39 HG12 VAL 7 2HG1 VAL 7 -19.658 0.450 -6.816 40 HG13 VAL 7 3HG1 VAL 7 -21.286 0.508 -6.174 41 HG21 VAL 7 3HG2 VAL 7 -23.192 -0.892 -7.642 42 HG22 VAL 7 1HG2 VAL 7 -22.544 -1.843 -8.985 43 HG23 VAL 7 2HG2 VAL 7 -22.080 -2.239 -7.338 44 H SER 8 H SER 8 -20.909 3.296 -8.257 45 HA SER 8 HA SER 8 -18.534 3.418 -9.997 46 HB2 SER 8 1HB SER 8 -20.094 5.372 -9.812 47 HB3 SER 8 2HB SER 8 -19.645 5.527 -8.122 48 HG SER 8 HG SER 8 -17.644 5.470 -10.120 49 H TYR 9 H TYR 9 -16.448 3.428 -9.192 50 HA TYR 9 HA TYR 9 -16.031 2.906 -6.279 51 HB2 TYR 9 1HB TYR 9 -14.915 1.578 -8.722 52 HB3 TYR 9 2HB TYR 9 -13.840 1.843 -7.363 53 HD1 TYR 9 1HD TYR 9 -17.451 0.728 -7.719 54 HD2 TYR 9 2HD TYR 9 -13.671 0.231 -5.774 55 HE1 TYR 9 1HE TYR 9 -18.261 -1.406 -6.680 56 HE2 TYR 9 2HE TYR 9 -14.520 -1.735 -4.597 57 HH TYR 9 HH TYR 9 -16.570 -3.130 -4.189 58 H TYR 10 H TYR 10 -15.354 4.666 -5.423 59 HA TYR 10 HA TYR 10 -13.800 6.702 -6.896 60 HB2 TYR 10 1HB TYR 10 -15.017 6.679 -4.099 61 HB3 TYR 10 2HB TYR 10 -14.123 8.011 -4.831 62 HD1 TYR 10 1HD TYR 10 -17.163 5.864 -5.426 63 HD2 TYR 10 2HD TYR 10 -15.277 9.711 -5.939 64 HE1 TYR 10 1HE TYR 10 -19.213 6.715 -6.442 65 HE2 TYR 10 2HE TYR 10 -17.378 10.608 -6.905 66 HH TYR 10 HH TYR 10 -20.124 8.506 -7.745 67 H PHE 11 H PHE 11 -11.603 6.425 -6.843 68 HA PHE 11 HA PHE 11 -10.354 5.731 -4.312 69 HB2 PHE 11 1HB PHE 11 -10.732 3.489 -5.344 70 HB3 PHE 11 2HB PHE 11 -9.818 3.996 -6.747 71 HD1 PHE 11 2HD PHE 11 -8.390 5.301 -3.571 72 HD2 PHE 11 1HD PHE 11 -8.565 1.867 -6.207 73 HE1 PHE 11 2HE PHE 11 -6.458 4.351 -2.483 74 HE2 PHE 11 1HE PHE 11 -6.613 0.901 -5.012 75 HZ PHE 11 HZ PHE 11 -5.595 2.129 -3.106 76 H SER 12 H SER 12 -9.785 8.042 -4.621 77 HA SER 12 HA SER 12 -7.350 8.400 -6.181 78 HB2 SER 12 1HB SER 12 -9.734 10.236 -6.647 79 HB3 SER 12 2HB SER 12 -8.186 10.220 -7.509 80 HG SER 12 HG SER 12 -9.196 9.009 -8.885 81 H TYR 13 H TYR 13 -6.541 10.738 -5.670 82 HA TYR 13 HA TYR 13 -6.951 11.489 -2.870 83 HB2 TYR 13 1HB TYR 13 -5.484 12.825 -5.193 84 HB3 TYR 13 2HB TYR 13 -5.572 13.466 -3.561 85 HD1 TYR 13 1HD TYR 13 -4.177 10.669 -5.585 86 HD2 TYR 13 2HD TYR 13 -4.186 12.704 -1.781 87 HE1 TYR 13 1HE TYR 13 -2.232 9.313 -4.843 88 HE2 TYR 13 2HE TYR 13 -2.287 11.320 -1.037 89 HH TYR 13 HH TYR 13 -0.985 9.322 -1.543 90 H ALA 14 H ALA 14 -7.586 13.785 -2.444 91 HA ALA 14 HA ALA 14 -9.843 14.758 -4.146 92 HB1 ALA 14 1HB ALA 14 -10.213 16.357 -2.281 93 HB2 ALA 14 2HB ALA 14 -10.331 14.682 -1.756 94 HB3 ALA 14 3HB ALA 14 -8.861 15.631 -1.390 95 H ASP 15 H ASP 15 -6.444 15.213 -3.673 96 HA ASP 15 HA ASP 15 -6.588 18.096 -4.157 97 HB2 ASP 15 1HB ASP 15 -4.415 18.201 -3.185 98 HB3 ASP 15 2HB ASP 15 -5.505 17.296 -2.147 99 H GLY 16 H GLY 16 -6.102 15.449 -6.135 100 HA2 GLY 16 1HA GLY 16 -5.095 17.086 -8.260 101 HA3 GLY 16 2HA GLY 16 -3.796 16.070 -7.625 102 H GLY 17 H GLY 17 -4.955 13.589 -7.152 103 HA2 GLY 17 1HA GLY 17 -6.560 12.603 -9.269 104 HA3 GLY 17 2HA GLY 17 -4.913 12.726 -9.879 105 H THR 18 H THR 18 -3.641 10.986 -9.569 106 HA THR 18 HA THR 18 -4.453 8.986 -7.509 107 HB THR 18 HB THR 18 -4.159 7.203 -9.193 108 HG1 THR 18 1HG THR 18 -3.443 9.258 -10.834 109 HG21 THR 18 3HG2 THR 18 -6.293 9.266 -9.919 110 HG22 THR 18 1HG2 THR 18 -6.401 8.127 -8.562 111 HG23 THR 18 2HG2 THR 18 -6.341 7.531 -10.229 112 H SER 19 H SER 19 -2.111 11.042 -7.752 113 HA SER 19 HA SER 19 -0.327 9.198 -6.369 114 HB2 SER 19 1HB SER 19 0.594 11.017 -8.642 115 HB3 SER 19 2HB SER 19 1.643 10.101 -7.556 116 HG SER 19 HG SER 19 -0.260 8.522 -8.678 117 H HIS 20 H HIS 20 1.088 10.356 -4.920 118 HA HIS 20 HA HIS 20 0.770 13.312 -4.791 119 HB2 HIS 20 1HB HIS 20 -0.287 11.856 -2.878 120 HB3 HIS 20 2HB HIS 20 1.360 11.603 -2.350 121 HD1 HIS 20 1HD HIS 20 -1.358 14.372 -2.717 122 HD2 HIS 20 2HD HIS 20 2.468 13.662 -1.017 123 HE1 HIS 20 1HE HIS 20 -0.897 16.265 -1.134 124 H THR 21 H THR 21 2.824 14.375 -4.193 125 HA THR 21 HA THR 21 5.186 12.694 -3.967 126 HB THR 21 HB THR 21 4.919 14.810 -6.147 127 HG1 THR 21 1HG THR 21 3.936 12.941 -6.755 128 HG21 THR 21 3HG2 THR 21 7.212 13.971 -6.800 129 HG22 THR 21 1HG2 THR 21 7.284 13.094 -5.256 130 HG23 THR 21 2HG2 THR 21 7.171 14.838 -5.249 131 H GLU 22 H GLU 22 6.588 13.662 -2.501 132 HA GLU 22 HA GLU 22 6.006 16.444 -1.652 133 HB2 GLU 22 1HB GLU 22 5.318 14.189 -0.198 134 HB3 GLU 22 2HB GLU 22 6.941 14.509 0.411 135 HG2 GLU 22 1HG GLU 22 4.601 16.470 0.313 136 HG3 GLU 22 2HG GLU 22 5.109 15.576 1.743 137 H TYR 23 H TYR 23 7.890 17.445 -0.628 138 HA TYR 23 HA TYR 23 10.515 16.551 -1.692 139 HB2 TYR 23 1HB TYR 23 9.042 19.178 -2.154 140 HB3 TYR 23 2HB TYR 23 10.713 18.897 -2.610 141 HD1 TYR 23 1HD TYR 23 11.349 17.486 -4.419 142 HD2 TYR 23 2HD TYR 23 7.191 18.138 -3.509 143 HE1 TYR 23 1HE TYR 23 10.767 16.551 -6.578 144 HE2 TYR 23 2HE TYR 23 6.573 17.359 -5.773 145 HH TYR 23 HH TYR 23 9.034 16.231 -8.139 146 HA PRO 24 HA PRO 24 10.426 18.891 2.440 147 HB2 PRO 24 1HB PRO 24 11.321 17.077 4.238 148 HB3 PRO 24 2HB PRO 24 9.604 17.165 3.726 149 HG2 PRO 24 1HG PRO 24 11.791 15.364 2.667 150 HG3 PRO 24 2HG PRO 24 10.161 14.873 3.218 151 HD2 PRO 24 1HD PRO 24 10.742 15.270 0.571 152 HD3 PRO 24 2HD PRO 24 9.155 15.715 1.254 153 H ASP 25 H ASP 25 12.362 19.387 3.889 154 HA ASP 25 HA ASP 25 14.951 18.649 2.966 155 HB2 ASP 25 1HB ASP 25 15.666 20.533 1.839 156 HB3 ASP 25 2HB ASP 25 14.052 20.361 1.179 157 H ASP 26 H ASP 26 16.587 19.755 4.156 158 HA ASP 26 HA ASP 26 17.625 20.479 6.007 159 HB2 ASP 26 1HB ASP 26 16.456 22.588 5.918 160 HB3 ASP 26 2HB ASP 26 15.070 21.916 6.778 161 H SER 27 H SER 27 14.348 19.873 7.376 162 HA SER 27 HA SER 27 14.950 17.182 8.100 163 HB2 SER 27 1HB SER 27 16.337 18.345 9.816 164 HB3 SER 27 2HB SER 27 14.914 19.221 10.373 165 HG SER 27 HG SER 27 15.396 17.400 11.654 166 H SER 28 H SER 28 12.842 17.090 6.817 167 HA SER 28 HA SER 28 10.608 17.418 8.734 168 HB2 SER 28 1HB SER 28 9.693 17.791 6.038 169 HB3 SER 28 2HB SER 28 9.447 18.810 7.456 170 HG SER 28 HG SER 28 11.484 19.797 6.915 171 H ALA 29 H ALA 29 10.357 15.242 9.245 172 HA ALA 29 HA ALA 29 8.998 13.702 7.169 173 HB1 ALA 29 1HB ALA 29 11.306 12.486 8.762 174 HB2 ALA 29 2HB ALA 29 10.197 11.609 7.687 175 HB3 ALA 29 3HB ALA 29 11.307 12.805 7.012 176 H GLY 30 H GLY 30 7.607 11.865 8.318 177 HA2 GLY 30 1HA GLY 30 7.790 11.019 10.828 178 HA3 GLY 30 2HA GLY 30 6.904 12.540 11.056 179 H SER 31 H SER 31 5.189 11.000 11.774 180 HA SER 31 HA SER 31 3.711 9.763 9.553 181 HB2 SER 31 1HB SER 31 2.081 9.049 11.196 182 HB3 SER 31 2HB SER 31 3.720 8.589 11.670 183 HG SER 31 HG SER 31 3.717 10.123 13.249 184 H PHE 32 H PHE 32 2.142 10.725 8.438 185 HA PHE 32 HA PHE 32 0.533 12.844 9.660 186 HB2 PHE 32 1HB PHE 32 0.706 14.369 7.755 187 HB3 PHE 32 2HB PHE 32 2.238 14.173 8.567 188 HD1 PHE 32 1HD PHE 32 3.995 12.569 7.547 189 HD2 PHE 32 2HD PHE 32 0.577 14.067 5.351 190 HE1 PHE 32 1HE PHE 32 5.136 12.080 5.425 191 HE2 PHE 32 2HE PHE 32 1.781 13.662 3.244 192 HZ PHE 32 HZ PHE 32 4.038 12.683 3.248 193 H ILE 33 H ILE 33 -1.254 13.434 7.776 194 HA ILE 33 HA ILE 33 -2.162 10.891 6.552 195 HB ILE 33 HB ILE 33 -3.914 12.884 8.031 196 HG12 ILE 33 1HG1 ILE 33 -2.960 10.139 8.979 197 HG13 ILE 33 2HG1 ILE 33 -2.353 11.636 9.626 198 HG21 ILE 33 1HG2 ILE 33 -5.074 11.543 6.262 199 HG22 ILE 33 2HG2 ILE 33 -4.467 10.055 7.022 200 HG23 ILE 33 3HG2 ILE 33 -5.627 11.103 7.852 201 HD11 ILE 33 3HD1 ILE 33 -3.923 10.662 11.153 202 HD12 ILE 33 1HD1 ILE 33 -4.499 12.228 10.566 203 HD13 ILE 33 2HD1 ILE 33 -5.217 10.718 9.956 204 H LEU 34 H LEU 34 -3.702 11.322 4.744 205 HA LEU 34 HA LEU 34 -3.404 13.904 3.352 206 HB2 LEU 34 1HB LEU 34 -2.738 11.118 2.287 207 HB3 LEU 34 2HB LEU 34 -3.000 12.499 1.236 208 HG LEU 34 HG LEU 34 -0.829 12.467 3.386 209 HD11 LEU 34 1HD1 LEU 34 -0.556 11.767 0.440 210 HD12 LEU 34 2HD1 LEU 34 -0.478 10.621 1.802 211 HD13 LEU 34 3HD1 LEU 34 0.751 11.887 1.634 212 HD21 LEU 34 3HD2 LEU 34 0.118 14.291 1.963 213 HD22 LEU 34 1HD2 LEU 34 -1.476 14.714 2.575 214 HD23 LEU 34 2HD2 LEU 34 -1.272 14.155 0.884 215 H ASP 35 H ASP 35 -5.192 14.245 1.890 216 HA ASP 35 HA ASP 35 -7.587 12.826 2.799 217 HB2 ASP 35 1HB ASP 35 -7.039 15.396 1.338 218 HB3 ASP 35 2HB ASP 35 -8.567 14.580 0.997 219 H ILE 36 H ILE 36 -7.495 10.810 1.964 220 HA ILE 36 HA ILE 36 -7.516 10.517 -1.009 221 HB ILE 36 HB ILE 36 -6.520 8.567 1.097 222 HG12 ILE 36 1HG1 ILE 36 -5.056 10.272 -0.966 223 HG13 ILE 36 2HG1 ILE 36 -5.024 10.544 0.771 224 HG21 ILE 36 1HG2 ILE 36 -5.761 7.229 -0.835 225 HG22 ILE 36 2HG2 ILE 36 -7.497 7.395 -0.843 226 HG23 ILE 36 3HG2 ILE 36 -6.516 8.388 -1.955 227 HD11 ILE 36 3HD1 ILE 36 -3.695 8.315 -0.748 228 HD12 ILE 36 1HD1 ILE 36 -2.993 9.534 0.339 229 HD13 ILE 36 2HD1 ILE 36 -3.998 8.233 1.007 230 H THR 37 H THR 37 -9.195 9.580 -1.906 231 HA THR 37 HA THR 37 -11.534 8.888 -0.243 232 HB THR 37 HB THR 37 -11.196 9.204 -3.270 233 HG1 THR 37 1HG THR 37 -10.957 11.175 -1.723 234 HG21 THR 37 3HG2 THR 37 -13.602 9.117 -1.437 235 HG22 THR 37 1HG2 THR 37 -13.195 7.906 -2.670 236 HG23 THR 37 2HG2 THR 37 -13.685 9.542 -3.161 237 H SER 38 H SER 38 -12.388 6.763 -0.160 238 HA SER 38 HA SER 38 -11.269 4.648 -1.873 239 HB2 SER 38 1HB SER 38 -10.527 3.390 0.216 240 HB3 SER 38 2HB SER 38 -9.516 4.750 -0.293 241 HG SER 38 HG SER 38 -10.758 4.365 2.056 242 H TYR 39 H TYR 39 -13.644 4.690 -2.462 243 HA TYR 39 HA TYR 39 -15.039 2.787 -0.768 244 HB2 TYR 39 1HB TYR 39 -17.013 4.205 -0.251 245 HB3 TYR 39 2HB TYR 39 -15.588 4.964 0.390 246 HD1 TYR 39 2HD TYR 39 -18.193 5.142 -2.272 247 HD2 TYR 39 1HD TYR 39 -14.997 7.202 -0.244 248 HE1 TYR 39 2HE TYR 39 -18.901 7.313 -3.309 249 HE2 TYR 39 1HE TYR 39 -15.711 9.324 -1.268 250 HH TYR 39 HH TYR 39 -17.010 10.270 -3.063 251 H LYS 40 H LYS 40 -17.362 2.344 -1.638 252 HA LYS 40 HA LYS 40 -17.526 2.818 -4.576 253 HB2 LYS 40 1HB LYS 40 -18.433 0.630 -4.893 254 HB3 LYS 40 2HB LYS 40 -16.796 0.592 -4.229 255 HG2 LYS 40 1HG LYS 40 -17.564 -0.975 -2.806 256 HG3 LYS 40 2HG LYS 40 -18.259 0.369 -1.916 257 HD2 LYS 40 1HD LYS 40 -20.125 -0.925 -2.108 258 HD3 LYS 40 2HD LYS 40 -20.301 -0.019 -3.602 259 HE2 LYS 40 1HE LYS 40 -20.696 -2.284 -4.185 260 HE3 LYS 40 2HE LYS 40 -19.039 -1.985 -4.714 261 HZ1 LYS 40 3HZ LYS 40 -19.138 -4.045 -3.606 262 HZ2 LYS 40 1HZ LYS 40 -19.902 -3.450 -2.294 263 HZ3 LYS 40 2HZ LYS 40 -18.312 -3.084 -2.615 264 H LYS 41 H LYS 41 -19.504 3.521 -5.327 265 HA LYS 41 HA LYS 41 -21.557 4.129 -3.252 266 HB2 LYS 41 1HB LYS 41 -20.179 5.941 -4.343 267 HB3 LYS 41 2HB LYS 41 -20.938 5.528 -5.887 268 HG2 LYS 41 1HG LYS 41 -23.123 6.202 -5.032 269 HG3 LYS 41 2HG LYS 41 -22.456 6.438 -3.414 270 HD2 LYS 41 1HD LYS 41 -20.876 8.182 -4.374 271 HD3 LYS 41 2HD LYS 41 -21.740 8.024 -5.917 272 HE2 LYS 41 1HE LYS 41 -23.853 8.636 -4.764 273 HE3 LYS 41 2HE LYS 41 -22.958 8.791 -3.240 274 HZ1 LYS 41 3HZ LYS 41 -21.700 10.575 -4.190 275 HZ2 LYS 41 1HZ LYS 41 -23.286 10.944 -4.285 276 HZ3 LYS 41 2HZ LYS 41 -22.458 10.465 -5.637 277 H THR 42 H THR 42 -23.555 3.360 -3.550 278 HA THR 42 HA THR 42 -24.744 2.899 -6.078 279 HB THR 42 HB THR 42 -23.305 1.060 -6.370 280 HG1 THR 42 1HG THR 42 -25.419 0.668 -6.916 281 HG21 THR 42 3HG2 THR 42 -24.038 0.062 -3.594 282 HG22 THR 42 1HG2 THR 42 -22.452 0.676 -4.112 283 HG23 THR 42 2HG2 THR 42 -23.055 -0.826 -4.789 284 H GLY 43 H GLY 43 -26.906 1.986 -5.861 285 HA2 GLY 43 1HA GLY 43 -28.977 1.889 -4.915 286 HA3 GLY 43 2HA GLY 43 -28.185 1.328 -3.431 287 H ASN 44 H ASN 44 -27.601 2.843 -1.854 288 HA ASN 44 HA ASN 44 -27.997 5.676 -2.163 289 HB2 ASN 44 1HB ASN 44 -30.384 4.860 -1.718 290 HB3 ASN 44 2HB ASN 44 -29.792 4.236 -0.173 291 HD21 ASN 44 1HD2 ASN 44 -31.328 5.627 0.890 292 HD22 ASN 44 2HD2 ASN 44 -31.241 7.357 0.796 293 H SER 45 H SER 45 -25.756 3.935 -1.554 294 HA SER 45 HA SER 45 -24.999 4.928 1.084 295 HB2 SER 45 1HB SER 45 -26.149 2.843 1.640 296 HB3 SER 45 2HB SER 45 -25.171 1.956 0.468 297 HG SER 45 HG SER 45 -24.115 3.355 2.730 298 H THR 46 H THR 46 -22.775 4.493 1.569 299 HA THR 46 HA THR 46 -21.057 3.678 -0.661 300 HB THR 46 HB THR 46 -19.416 5.462 0.138 301 HG1 THR 46 1HG THR 46 -20.290 7.236 1.090 302 HG21 THR 46 3HG2 THR 46 -20.625 5.639 -1.987 303 HG22 THR 46 1HG2 THR 46 -20.475 7.232 -1.247 304 HG23 THR 46 2HG2 THR 46 -22.020 6.380 -1.163 305 H LYS 47 H LYS 47 -20.019 1.915 0.014 306 HA LYS 47 HA LYS 47 -19.281 1.617 2.902 307 HB2 LYS 47 1HB LYS 47 -19.660 -0.350 0.647 308 HB3 LYS 47 2HB LYS 47 -18.261 -0.604 1.701 309 HG2 LYS 47 1HG LYS 47 -19.648 -0.617 3.694 310 HG3 LYS 47 2HG LYS 47 -21.075 -0.204 2.751 311 HD2 LYS 47 1HD LYS 47 -21.127 -2.553 3.320 312 HD3 LYS 47 2HD LYS 47 -20.925 -2.392 1.565 313 HE2 LYS 47 1HE LYS 47 -18.562 -2.907 1.715 314 HE3 LYS 47 2HE LYS 47 -18.575 -2.772 3.473 315 HZ1 LYS 47 3HZ LYS 47 -20.022 -4.858 1.957 316 HZ2 LYS 47 1HZ LYS 47 -19.923 -4.706 3.603 317 HZ3 LYS 47 2HZ LYS 47 -18.578 -5.059 2.730 318 H ALA 48 H ALA 48 -17.193 2.127 3.439 319 HA ALA 48 HA ALA 48 -15.339 2.992 1.379 320 HB1 ALA 48 1HB ALA 48 -13.784 3.327 3.159 321 HB2 ALA 48 2HB ALA 48 -15.345 3.898 3.771 322 HB3 ALA 48 3HB ALA 48 -14.713 2.294 4.245 323 H LEU 49 H LEU 49 -13.235 1.916 1.190 324 HA LEU 49 HA LEU 49 -13.222 -1.014 1.722 325 HB2 LEU 49 1HB LEU 49 -12.292 0.630 -0.692 326 HB3 LEU 49 2HB LEU 49 -11.763 -0.991 -0.316 327 HG LEU 49 HG LEU 49 -13.181 -1.324 -1.935 328 HD11 LEU 49 1HD1 LEU 49 -14.969 -2.679 -1.032 329 HD12 LEU 49 2HD1 LEU 49 -14.923 -1.802 0.484 330 HD13 LEU 49 3HD1 LEU 49 -13.550 -2.829 -0.001 331 HD21 LEU 49 3HD2 LEU 49 -14.286 0.864 -2.045 332 HD22 LEU 49 1HD2 LEU 49 -15.385 0.356 -0.729 333 HD23 LEU 49 2HD2 LEU 49 -15.394 -0.499 -2.285 334 H SER 50 H SER 50 -11.472 -1.616 2.898 335 HA SER 50 HA SER 50 -9.334 0.327 3.482 336 HB2 SER 50 1HB SER 50 -9.639 -2.604 4.224 337 HB3 SER 50 2HB SER 50 -8.324 -1.560 4.728 338 HG SER 50 HG SER 50 -9.782 -1.558 6.336 339 H TRP 51 H TRP 51 -7.089 -0.392 3.125 340 HA TRP 51 HA TRP 51 -6.575 -1.878 0.652 341 HB2 TRP 51 1HB TRP 51 -5.343 0.019 -0.278 342 HB3 TRP 51 2HB TRP 51 -6.935 0.600 0.118 343 HD1 TRP 51 HD TRP 51 -3.300 0.929 1.077 344 HE1 TRP 51 1HE TRP 51 -2.947 3.186 2.286 345 HE3 TRP 51 3HE TRP 51 -8.199 2.232 1.921 346 HZ2 TRP 51 2HZ TRP 51 -4.536 5.384 3.099 347 HZ3 TRP 51 3HZ TRP 51 -8.718 4.434 2.942 348 HH2 TRP 51 HH TRP 51 -6.908 6.062 3.426 349 H ASN 52 H ASN 52 -4.113 -1.976 0.339 350 HA ASN 52 HA ASN 52 -2.627 -1.462 2.804 351 HB2 ASN 52 1HB ASN 52 -3.522 -4.006 2.642 352 HB3 ASN 52 2HB ASN 52 -2.072 -4.175 1.642 353 HD21 ASN 52 1HD2 ASN 52 -3.344 -3.474 4.891 354 HD22 ASN 52 2HD2 ASN 52 -1.817 -3.459 5.702 355 H ALA 53 H ALA 53 -0.200 -1.811 2.370 356 HA ALA 53 HA ALA 53 0.428 -0.695 -0.338 357 HB1 ALA 53 1HB ALA 53 1.609 0.114 2.326 358 HB2 ALA 53 2HB ALA 53 1.926 0.842 0.736 359 HB3 ALA 53 3HB ALA 53 0.326 1.007 1.472 360 H SER 54 H SER 54 2.981 -0.697 -0.472 361 HA SER 54 HA SER 54 4.671 -1.750 1.234 362 HB2 SER 54 1HB SER 54 3.774 -4.029 -0.518 363 HB3 SER 54 2HB SER 54 5.498 -3.872 -0.155 364 HG SER 54 HG SER 54 4.447 -5.153 1.362 365 H GLY 55 H GLY 55 6.754 -1.170 0.670 366 HA2 GLY 55 1HA GLY 55 7.716 -1.555 -1.985 367 HA3 GLY 55 2HA GLY 55 7.383 0.157 -1.708 368 H ASP 56 H ASP 56 8.909 1.341 -0.639 369 HA ASP 56 HA ASP 56 11.508 0.218 -0.064 370 HB2 ASP 56 1HB ASP 56 10.138 2.906 0.227 371 HB3 ASP 56 2HB ASP 56 11.699 2.630 0.937 372 H SER 57 H SER 57 12.389 -0.249 2.003 373 HA SER 57 HA SER 57 10.635 -0.961 4.087 374 HB2 SER 57 1HB SER 57 13.609 -0.379 4.380 375 HB3 SER 57 2HB SER 57 12.629 -1.486 5.351 376 HG SER 57 HG SER 57 12.331 -2.764 3.457 377 H TRP 58 H TRP 58 11.542 2.220 3.350 378 HA TRP 58 HA TRP 58 11.403 3.131 6.165 379 HB2 TRP 58 1HB TRP 58 12.682 5.100 5.347 380 HB3 TRP 58 2HB TRP 58 13.548 3.584 5.236 381 HD1 TRP 58 HD TRP 58 14.040 2.595 2.813 382 HE1 TRP 58 1HE TRP 58 13.941 3.600 0.412 383 HE3 TRP 58 3HE TRP 58 11.479 6.918 3.777 384 HZ2 TRP 58 2HZ TRP 58 13.250 6.061 -0.792 385 HZ3 TRP 58 3HZ TRP 58 11.026 8.523 1.965 386 HH2 TRP 58 HH TRP 58 11.890 8.120 -0.330 387 H ILE 59 H ILE 59 9.160 2.565 4.079 388 HA ILE 59 HA ILE 59 7.764 5.145 4.499 389 HB ILE 59 HB ILE 59 7.577 3.433 1.991 390 HG12 ILE 59 1HG1 ILE 59 8.885 6.171 2.279 391 HG13 ILE 59 2HG1 ILE 59 9.749 4.655 2.055 392 HG21 ILE 59 1HG2 ILE 59 6.125 5.302 1.164 393 HG22 ILE 59 2HG2 ILE 59 5.460 4.606 2.627 394 HG23 ILE 59 3HG2 ILE 59 6.341 6.142 2.712 395 HD11 ILE 59 3HD1 ILE 59 8.621 4.341 -0.164 396 HD12 ILE 59 1HD1 ILE 59 7.895 5.937 0.010 397 HD13 ILE 59 2HD1 ILE 59 9.652 5.775 -0.068 398 H HIS 60 H HIS 60 5.754 4.810 5.378 399 HA HIS 60 HA HIS 60 4.828 2.002 5.759 400 HB2 HIS 60 1HB HIS 60 4.852 4.206 7.849 401 HB3 HIS 60 2HB HIS 60 4.346 2.540 8.080 402 HD1 HIS 60 1HD HIS 60 6.435 0.670 7.853 403 HD2 HIS 60 2HD HIS 60 7.439 4.757 8.170 404 HE1 HIS 60 1HE HIS 60 8.877 0.770 8.561 405 H VAL 61 H VAL 61 2.591 1.762 5.816 406 HA VAL 61 HA VAL 61 0.896 4.197 5.561 407 HB VAL 61 HB VAL 61 0.732 1.700 3.829 408 HG11 VAL 61 1HG1 VAL 61 -0.794 4.330 3.747 409 HG12 VAL 61 2HG1 VAL 61 -0.934 3.013 2.561 410 HG13 VAL 61 3HG1 VAL 61 -1.449 2.750 4.234 411 HG21 VAL 61 3HG2 VAL 61 2.663 2.973 3.057 412 HG22 VAL 61 1HG2 VAL 61 1.340 3.277 1.937 413 HG23 VAL 61 2HG2 VAL 61 1.759 4.497 3.154 414 H ASN 62 H ASN 62 -0.034 4.103 7.578 415 HA ASN 62 HA ASN 62 -1.181 1.632 8.646 416 HB2 ASN 62 1HB ASN 62 0.247 3.518 9.855 417 HB3 ASN 62 2HB ASN 62 -1.265 4.403 9.876 418 HD21 ASN 62 1HD2 ASN 62 0.631 2.000 11.362 419 HD22 ASN 62 2HD2 ASN 62 -0.588 1.378 12.427 420 H GLY 63 H GLY 63 -2.543 1.724 6.586 421 HA2 GLY 63 1HA GLY 63 -4.369 2.332 5.324 422 HA3 GLY 63 2HA GLY 63 -5.157 2.881 6.821 423 H SER 64 H SER 64 -5.635 5.110 6.770 424 HA SER 64 HA SER 64 -4.543 6.763 4.754 425 HB2 SER 64 1HB SER 64 -5.791 8.560 6.084 426 HB3 SER 64 2HB SER 64 -6.713 7.220 5.418 427 HG SER 64 HG SER 64 -7.316 7.674 7.502 428 H SER 65 H SER 65 -3.269 6.086 8.015 429 HA SER 65 HA SER 65 -1.810 8.581 8.074 430 HB2 SER 65 1HB SER 65 -0.912 6.528 9.937 431 HB3 SER 65 2HB SER 65 -1.487 8.162 10.226 432 HG SER 65 HG SER 65 -3.661 7.315 9.978 433 H VAL 66 H VAL 66 -0.398 8.808 6.492 434 HA VAL 66 HA VAL 66 1.396 6.704 5.521 435 HB VAL 66 HB VAL 66 0.564 8.293 3.929 436 HG11 VAL 66 1HG1 VAL 66 -0.049 10.222 5.221 437 HG12 VAL 66 2HG1 VAL 66 1.649 10.534 5.654 438 HG13 VAL 66 3HG1 VAL 66 1.097 10.718 3.983 439 HG21 VAL 66 3HG2 VAL 66 2.586 9.138 2.919 440 HG22 VAL 66 1HG2 VAL 66 3.462 9.073 4.455 441 HG23 VAL 66 2HG2 VAL 66 2.939 7.566 3.658 442 H SER 67 H SER 67 3.716 6.724 5.983 443 HA SER 67 HA SER 67 4.761 8.949 7.493 444 HB2 SER 67 1HB SER 67 5.238 6.170 8.640 445 HB3 SER 67 2HB SER 67 5.685 7.732 9.343 446 HG SER 67 HG SER 67 3.090 7.781 8.903 447 H TYR 68 H TYR 68 7.120 8.976 7.407 448 HA TYR 68 HA TYR 68 8.512 6.752 6.252 449 HB2 TYR 68 1HB TYR 68 9.655 8.256 4.502 450 HB3 TYR 68 2HB TYR 68 8.112 7.538 4.129 451 HD1 TYR 68 2HD TYR 68 9.752 10.763 5.115 452 HD2 TYR 68 1HD TYR 68 6.219 8.847 3.479 453 HE1 TYR 68 2HE TYR 68 8.908 12.950 4.345 454 HE2 TYR 68 1HE TYR 68 5.421 11.014 2.680 455 HH TYR 68 HH TYR 68 7.073 14.096 3.349 456 H ASP 69 H ASP 69 10.871 7.152 6.374 457 HA ASP 69 HA ASP 69 11.610 9.224 8.416 458 HB2 ASP 69 1HB ASP 69 12.733 6.419 7.981 459 HB3 ASP 69 2HB ASP 69 13.593 7.683 8.835 460 H GLU 70 H GLU 70 13.721 10.163 8.065 461 HA GLU 70 HA GLU 70 14.453 10.594 5.320 462 HB2 GLU 70 1HB GLU 70 15.140 11.682 7.897 463 HB3 GLU 70 2HB GLU 70 16.622 11.241 7.025 464 HG2 GLU 70 1HG GLU 70 15.757 12.514 5.030 465 HG3 GLU 70 2HG GLU 70 14.395 13.030 6.012 466 H ASN 71 H ASN 71 16.091 9.751 4.177 467 HA ASN 71 HA ASN 71 17.033 7.103 4.794 468 HB2 ASN 71 1HB ASN 71 18.516 7.476 2.741 469 HB3 ASN 71 2HB ASN 71 16.766 7.572 2.506 470 HD21 ASN 71 1HD2 ASN 71 19.807 9.574 2.190 471 HD22 ASN 71 2HD2 ASN 71 18.832 10.890 1.632 472 HA PRO 72 HA PRO 72 20.726 8.388 6.969 473 HB2 PRO 72 1HB PRO 72 21.967 5.988 7.252 474 HB3 PRO 72 2HB PRO 72 20.347 6.270 7.935 475 HG2 PRO 72 1HG PRO 72 20.999 4.978 5.268 476 HG3 PRO 72 2HG PRO 72 19.998 4.313 6.609 477 HD2 PRO 72 1HD PRO 72 18.907 5.652 4.511 478 HD3 PRO 72 2HD PRO 72 18.255 5.809 6.171 479 H ALA 73 H ALA 73 20.755 7.555 3.699 480 HA ALA 73 HA ALA 73 23.691 7.625 3.304 481 HB1 ALA 73 1HB ALA 73 22.366 6.053 1.958 482 HB2 ALA 73 2HB ALA 73 21.355 7.396 1.352 483 HB3 ALA 73 3HB ALA 73 23.076 7.312 0.939 484 H LYS 74 H LYS 74 24.478 9.305 1.650 485 HA LYS 74 HA LYS 74 23.335 11.894 2.455 486 HB2 LYS 74 1HB LYS 74 25.439 12.882 1.646 487 HB3 LYS 74 2HB LYS 74 25.470 11.874 3.065 488 HG2 LYS 74 1HG LYS 74 27.407 11.309 1.966 489 HG3 LYS 74 2HG LYS 74 26.293 9.987 1.626 490 HD2 LYS 74 1HD LYS 74 25.875 10.971 -0.649 491 HD3 LYS 74 2HD LYS 74 26.946 12.327 -0.234 492 HE2 LYS 74 1HE LYS 74 28.797 10.618 0.156 493 HE3 LYS 74 2HE LYS 74 27.710 9.375 -0.461 494 HZ1 LYS 74 3HZ LYS 74 27.598 10.664 -2.545 495 HZ2 LYS 74 1HZ LYS 74 29.122 10.161 -2.223 496 HZ3 LYS 74 2HZ LYS 74 28.700 11.719 -1.969 497 H GLU 75 H GLU 75 23.164 9.856 -0.233 498 HA GLU 75 HA GLU 75 22.820 11.984 -2.227 499 HB2 GLU 75 1HB GLU 75 22.034 9.036 -2.260 500 HB3 GLU 75 2HB GLU 75 21.900 10.147 -3.631 501 HG2 GLU 75 1HG GLU 75 24.385 10.579 -3.424 502 HG3 GLU 75 2HG GLU 75 24.462 9.284 -2.249 503 H ARG 76 H ARG 76 20.753 12.345 -3.277 504 HA ARG 76 HA ARG 76 18.389 12.224 -1.498 505 HB2 ARG 76 1HB ARG 76 19.247 13.997 -3.606 506 HB3 ARG 76 2HB ARG 76 17.864 13.119 -4.261 507 HG2 ARG 76 1HG ARG 76 16.457 13.797 -2.484 508 HG3 ARG 76 2HG ARG 76 17.834 14.415 -1.523 509 HD2 ARG 76 1HD ARG 76 18.132 16.189 -3.285 510 HD3 ARG 76 2HD ARG 76 16.637 15.633 -4.018 511 HE ARG 76 HE ARG 76 15.401 16.589 -2.376 512 HH11 ARG 76 1HH1 ARG 76 18.811 17.100 -1.457 513 HH12 ARG 76 2HH1 ARG 76 18.440 18.011 -0.034 514 HH21 ARG 76 1HH2 ARG 76 14.913 17.859 -0.505 515 HH22 ARG 76 2HH2 ARG 76 16.173 18.370 0.543 516 H ARG 77 H ARG 77 16.659 10.734 -1.911 517 HA ARG 77 HA ARG 77 17.067 8.682 -4.007 518 HB2 ARG 77 1HB ARG 77 17.248 8.290 -0.982 519 HB3 ARG 77 2HB ARG 77 16.777 6.971 -2.045 520 HG2 ARG 77 1HG ARG 77 19.424 8.456 -2.312 521 HG3 ARG 77 2HG ARG 77 19.196 6.970 -1.400 522 HD2 ARG 77 1HD ARG 77 18.532 5.724 -3.343 523 HD3 ARG 77 2HD ARG 77 18.421 7.189 -4.334 524 HE ARG 77 HE ARG 77 21.054 7.046 -3.426 525 HH11 ARG 77 1HH1 ARG 77 18.816 5.396 -5.629 526 HH12 ARG 77 2HH1 ARG 77 20.034 4.908 -6.754 527 HH21 ARG 77 1HH2 ARG 77 22.661 6.511 -4.944 528 HH22 ARG 77 2HH2 ARG 77 22.273 5.664 -6.404 529 H THR 78 H THR 78 15.154 9.650 -4.852 530 HA THR 78 HA THR 78 12.732 9.742 -3.356 531 HB THR 78 HB THR 78 13.035 9.406 -6.358 532 HG1 THR 78 1HG THR 78 14.262 11.187 -5.507 533 HG21 THR 78 3HG2 THR 78 10.728 9.141 -5.601 534 HG22 THR 78 1HG2 THR 78 10.899 10.727 -6.370 535 HG23 THR 78 2HG2 THR 78 10.852 10.608 -4.602 536 H GLY 79 H GLY 79 12.068 7.981 -2.261 537 HA2 GLY 79 1HA GLY 79 12.052 5.281 -3.327 538 HA3 GLY 79 2HA GLY 79 11.269 5.848 -1.850 539 H LEU 80 H LEU 80 9.881 4.083 -3.336 540 HA LEU 80 HA LEU 80 7.484 5.615 -3.887 541 HB2 LEU 80 1HB LEU 80 8.655 5.766 -6.088 542 HB3 LEU 80 2HB LEU 80 8.663 4.005 -6.166 543 HG LEU 80 HG LEU 80 5.972 5.276 -5.763 544 HD11 LEU 80 1HD1 LEU 80 7.425 5.421 -8.437 545 HD12 LEU 80 2HD1 LEU 80 6.998 6.791 -7.401 546 HD13 LEU 80 3HD1 LEU 80 5.716 5.826 -8.143 547 HD21 LEU 80 3HD2 LEU 80 6.163 2.808 -6.097 548 HD22 LEU 80 1HD2 LEU 80 6.993 3.085 -7.638 549 HD23 LEU 80 2HD2 LEU 80 5.303 3.560 -7.437 550 H VAL 81 H VAL 81 5.827 4.375 -3.046 551 HA VAL 81 HA VAL 81 6.219 1.429 -3.075 552 HB VAL 81 HB VAL 81 4.911 1.203 -1.141 553 HG11 VAL 81 1HG1 VAL 81 7.243 2.169 -0.796 554 HG12 VAL 81 2HG1 VAL 81 6.458 3.737 -0.546 555 HG13 VAL 81 3HG1 VAL 81 6.103 2.381 0.539 556 HG21 VAL 81 3HG2 VAL 81 3.045 2.646 -1.491 557 HG22 VAL 81 1HG2 VAL 81 3.788 3.068 0.046 558 HG23 VAL 81 2HG2 VAL 81 4.078 4.110 -1.371 559 H THR 82 H THR 82 4.058 0.181 -3.168 560 HA THR 82 HA THR 82 2.163 1.539 -5.006 561 HB THR 82 HB THR 82 2.305 -1.454 -4.861 562 HG1 THR 82 1HG THR 82 4.213 -1.441 -5.487 563 HG21 THR 82 3HG2 THR 82 1.671 0.504 -7.121 564 HG22 THR 82 1HG2 THR 82 0.474 -0.339 -6.119 565 HG23 THR 82 2HG2 THR 82 1.527 -1.267 -7.199 566 H LEU 83 H LEU 83 -0.090 0.756 -4.625 567 HA LEU 83 HA LEU 83 -0.611 -0.515 -2.093 568 HB2 LEU 83 1HB LEU 83 -2.137 2.025 -2.839 569 HB3 LEU 83 2HB LEU 83 -2.288 1.048 -1.392 570 HG LEU 83 HG LEU 83 0.233 1.753 -1.009 571 HD11 LEU 83 1HD1 LEU 83 1.065 3.611 -2.064 572 HD12 LEU 83 2HD1 LEU 83 -0.521 4.353 -2.280 573 HD13 LEU 83 3HD1 LEU 83 0.029 3.093 -3.384 574 HD21 LEU 83 3HD2 LEU 83 -0.551 3.762 0.226 575 HD22 LEU 83 1HD2 LEU 83 -1.571 2.333 0.474 576 HD23 LEU 83 2HD2 LEU 83 -2.117 3.632 -0.610 577 H LYS 84 H LYS 84 -2.746 -1.552 -2.169 578 HA LYS 84 HA LYS 84 -4.366 -1.067 -4.560 579 HB2 LYS 84 1HB LYS 84 -2.968 -3.236 -4.962 580 HB3 LYS 84 2HB LYS 84 -3.931 -3.938 -3.647 581 HG2 LYS 84 1HG LYS 84 -6.002 -3.100 -5.019 582 HG3 LYS 84 2HG LYS 84 -4.862 -2.854 -6.337 583 HD2 LYS 84 1HD LYS 84 -4.358 -5.248 -6.360 584 HD3 LYS 84 2HD LYS 84 -5.362 -5.513 -4.915 585 HE2 LYS 84 1HE LYS 84 -7.373 -4.885 -6.053 586 HE3 LYS 84 2HE LYS 84 -6.473 -4.238 -7.441 587 HZ1 LYS 84 3HZ LYS 84 -6.008 -6.343 -8.218 588 HZ2 LYS 84 1HZ LYS 84 -7.539 -6.556 -7.653 589 HZ3 LYS 84 2HZ LYS 84 -6.255 -7.095 -6.803 590 H GLN 85 H GLN 85 -6.551 -1.371 -4.067 591 HA GLN 85 HA GLN 85 -7.239 -1.402 -1.197 592 HB2 GLN 85 1HB GLN 85 -8.113 0.143 -3.298 593 HB3 GLN 85 2HB GLN 85 -9.325 -1.113 -3.265 594 HG2 GLN 85 1HG GLN 85 -10.325 -0.181 -1.557 595 HG3 GLN 85 2HG GLN 85 -8.878 -0.071 -0.576 596 HE21 GLN 85 1HE2 GLN 85 -10.795 1.549 -3.038 597 HE22 GLN 85 2HE2 GLN 85 -10.079 3.151 -2.840 598 H ASP 86 H ASP 86 -9.228 -2.714 -0.646 599 HA ASP 86 HA ASP 86 -9.039 -5.466 -1.195 600 HB2 ASP 86 1HB ASP 86 -10.105 -4.397 0.790 601 HB3 ASP 86 2HB ASP 86 -11.434 -3.824 -0.234 602 H GLU 87 H GLU 87 -12.040 -3.742 -1.984 603 HA GLU 87 HA GLU 87 -12.446 -5.394 -4.349 604 HB2 GLU 87 1HB GLU 87 -14.019 -3.109 -3.173 605 HB3 GLU 87 2HB GLU 87 -14.547 -4.142 -4.518 606 HG2 GLU 87 1HG GLU 87 -14.395 -6.079 -2.860 607 HG3 GLU 87 2HG GLU 87 -14.199 -4.844 -1.596 608 H SER 88 H SER 88 -11.115 -2.218 -3.747 609 HA SER 88 HA SER 88 -11.563 -1.328 -6.530 610 HB2 SER 88 1HB SER 88 -9.885 0.361 -4.779 611 HB3 SER 88 2HB SER 88 -11.171 0.786 -5.900 612 HG SER 88 HG SER 88 -12.346 1.055 -4.219 613 H GLY 89 H GLY 89 -9.154 -0.137 -7.241 614 HA2 GLY 89 1HA GLY 89 -6.919 -1.902 -6.862 615 HA3 GLY 89 2HA GLY 89 -7.879 -2.485 -8.209 616 H LYS 90 H LYS 90 -7.976 0.966 -7.989 617 HA LYS 90 HA LYS 90 -5.889 1.376 -9.998 618 HB2 LYS 90 1HB LYS 90 -7.192 3.250 -7.958 619 HB3 LYS 90 2HB LYS 90 -5.823 3.685 -8.986 620 HG2 LYS 90 1HG LYS 90 -7.334 2.919 -10.969 621 HG3 LYS 90 2HG LYS 90 -8.672 3.158 -9.822 622 HD2 LYS 90 1HD LYS 90 -7.851 5.474 -9.378 623 HD3 LYS 90 2HD LYS 90 -6.493 5.215 -10.464 624 HE2 LYS 90 1HE LYS 90 -9.421 5.358 -11.257 625 HE3 LYS 90 2HE LYS 90 -8.164 6.568 -11.542 626 HZ1 LYS 90 3HZ LYS 90 -8.394 3.915 -12.791 627 HZ2 LYS 90 1HZ LYS 90 -6.981 4.741 -12.798 628 HZ3 LYS 90 2HZ LYS 90 -8.304 5.398 -13.512 629 H THR 91 H THR 91 -3.780 2.284 -9.484 630 HA THR 91 HA THR 91 -2.731 1.353 -6.872 631 HB THR 91 HB THR 91 -0.661 0.920 -8.102 632 HG1 THR 91 1HG THR 91 -0.715 1.696 -10.067 633 HG21 THR 91 3HG2 THR 91 -1.411 -1.266 -8.819 634 HG22 THR 91 1HG2 THR 91 -3.082 -0.717 -9.042 635 HG23 THR 91 2HG2 THR 91 -2.385 -0.829 -7.420 636 H LEU 92 H LEU 92 -2.344 2.934 -5.641 637 HA LEU 92 HA LEU 92 -1.966 5.690 -6.628 638 HB2 LEU 92 1HB LEU 92 -2.097 4.460 -3.845 639 HB3 LEU 92 2HB LEU 92 -1.725 6.160 -4.114 640 HG LEU 92 HG LEU 92 -4.336 4.779 -4.888 641 HD11 LEU 92 1HD1 LEU 92 -5.231 6.196 -3.041 642 HD12 LEU 92 2HD1 LEU 92 -3.578 6.725 -2.659 643 HD13 LEU 92 3HD1 LEU 92 -4.032 5.000 -2.486 644 HD21 LEU 92 3HD2 LEU 92 -3.847 6.721 -6.382 645 HD22 LEU 92 1HD2 LEU 92 -3.612 7.725 -4.942 646 HD23 LEU 92 2HD2 LEU 92 -5.200 7.055 -5.276 647 H SER 93 H SER 93 -0.110 6.975 -5.722 648 HA SER 93 HA SER 93 2.379 5.429 -5.423 649 HB2 SER 93 1HB SER 93 2.102 7.700 -7.413 650 HB3 SER 93 2HB SER 93 3.448 6.570 -7.235 651 HG SER 93 HG SER 93 1.827 6.214 -9.024 652 H LEU 94 H LEU 94 3.992 6.638 -4.389 653 HA LEU 94 HA LEU 94 3.421 9.292 -3.256 654 HB2 LEU 94 1HB LEU 94 2.608 7.918 -1.495 655 HB3 LEU 94 2HB LEU 94 3.855 6.697 -1.755 656 HG LEU 94 HG LEU 94 5.568 8.194 -0.826 657 HD11 LEU 94 1HD1 LEU 94 3.254 10.123 -0.304 658 HD12 LEU 94 2HD1 LEU 94 4.681 10.437 -1.319 659 HD13 LEU 94 3HD1 LEU 94 4.871 10.231 0.431 660 HD21 LEU 94 3HD2 LEU 94 4.786 8.064 1.504 661 HD22 LEU 94 1HD2 LEU 94 4.291 6.620 0.604 662 HD23 LEU 94 2HD2 LEU 94 3.111 7.888 0.944 663 H LYS 95 H LYS 95 5.241 10.393 -3.856 664 HA LYS 95 HA LYS 95 7.848 8.928 -3.950 665 HB2 LYS 95 1HB LYS 95 6.731 11.095 -5.739 666 HB3 LYS 95 2HB LYS 95 8.478 10.979 -5.470 667 HG2 LYS 95 1HG LYS 95 8.385 8.614 -6.303 668 HG3 LYS 95 2HG LYS 95 6.658 8.870 -6.647 669 HD2 LYS 95 1HD LYS 95 7.461 10.947 -7.999 670 HD3 LYS 95 2HD LYS 95 9.069 10.229 -7.927 671 HE2 LYS 95 1HE LYS 95 8.485 8.422 -9.295 672 HE3 LYS 95 2HE LYS 95 6.788 8.470 -8.782 673 HZ1 LYS 95 3HZ LYS 95 8.013 10.372 -10.672 674 HZ2 LYS 95 1HZ LYS 95 6.474 10.452 -10.038 675 HZ3 LYS 95 2HZ LYS 95 6.912 9.201 -10.990 676 H ILE 96 H ILE 96 9.507 9.938 -2.851 677 HA ILE 96 HA ILE 96 8.830 12.332 -1.200 678 HB ILE 96 HB ILE 96 10.076 9.691 -0.353 679 HG12 ILE 96 1HG1 ILE 96 7.519 10.775 0.852 680 HG13 ILE 96 2HG1 ILE 96 7.429 9.866 -0.644 681 HG21 ILE 96 1HG2 ILE 96 9.535 12.221 1.262 682 HG22 ILE 96 2HG2 ILE 96 10.011 10.664 1.963 683 HG23 ILE 96 3HG2 ILE 96 11.110 11.484 0.872 684 HD11 ILE 96 3HD1 ILE 96 8.700 8.802 1.882 685 HD12 ILE 96 1HD1 ILE 96 7.144 8.315 1.177 686 HD13 ILE 96 2HD1 ILE 96 8.660 8.002 0.311 687 H VAL 97 H VAL 97 10.217 13.783 -2.264 688 HA VAL 97 HA VAL 97 12.961 12.845 -2.905 689 HB VAL 97 HB VAL 97 11.743 15.512 -3.692 690 HG11 VAL 97 1HG1 VAL 97 13.901 13.777 -4.974 691 HG12 VAL 97 2HG1 VAL 97 13.438 15.441 -5.416 692 HG13 VAL 97 3HG1 VAL 97 14.227 15.119 -3.868 693 HG21 VAL 97 3HG2 VAL 97 10.152 14.057 -4.626 694 HG22 VAL 97 1HG2 VAL 97 11.292 14.407 -5.927 695 HG23 VAL 97 2HG2 VAL 97 11.379 12.859 -5.076 696 H GLN 98 H GLN 98 13.278 12.611 -0.558 697 HA GLN 98 HA GLN 98 13.416 15.110 1.048 698 HB2 GLN 98 1HB GLN 98 13.615 13.602 2.953 699 HB3 GLN 98 2HB GLN 98 12.218 13.170 1.983 700 HG2 GLN 98 1HG GLN 98 13.559 11.300 0.973 701 HG3 GLN 98 2HG GLN 98 14.888 11.765 2.057 702 HE21 GLN 98 1HE2 GLN 98 14.138 9.191 2.315 703 HE22 GLN 98 2HE2 GLN 98 13.211 9.017 3.817 704 HA PRO 99 HA PRO 99 17.794 15.376 0.587 705 HB2 PRO 99 1HB PRO 99 18.831 15.937 3.106 706 HB3 PRO 99 2HB PRO 99 17.876 17.060 2.103 707 HG2 PRO 99 1HG PRO 99 16.890 15.242 4.298 708 HG3 PRO 99 2HG PRO 99 16.622 17.007 4.113 709 HD2 PRO 99 1HD PRO 99 14.753 15.324 3.274 710 HD3 PRO 99 2HD PRO 99 15.223 16.663 2.214 711 H GLY 100 H GLY 100 20.031 14.877 1.974 712 HA2 GLY 100 1HA GLY 100 19.874 12.075 2.681 713 HA3 GLY 100 2HA GLY 100 21.262 12.592 1.732 714 H LYS 101 H LYS 101 21.369 11.493 4.352 715 HA LYS 101 HA LYS 101 21.973 13.795 6.164 716 HB2 LYS 101 1HB LYS 101 19.834 12.602 6.541 717 HB3 LYS 101 2HB LYS 101 20.721 11.081 6.735 718 HG2 LYS 101 1HG LYS 101 21.977 12.150 8.649 719 HG3 LYS 101 2HG LYS 101 20.875 13.530 8.526 720 HD2 LYS 101 1HD LYS 101 20.060 10.635 9.098 721 HD3 LYS 101 2HD LYS 101 20.297 11.896 10.310 722 HE2 LYS 101 1HE LYS 101 18.563 13.262 8.847 723 HE3 LYS 101 2HE LYS 101 18.151 11.671 8.194 724 HZ1 LYS 101 3HZ LYS 101 16.800 12.371 10.107 725 HZ2 LYS 101 1HZ LYS 101 18.106 12.371 11.087 726 HZ3 LYS 101 2HZ LYS 101 17.571 10.955 10.421 727 H THR 102 H THR 102 24.048 13.782 6.931 728 HA THR 102 HA THR 102 25.254 11.297 7.804 729 HB THR 102 HB THR 102 27.444 12.152 6.603 730 HG1 THR 102 1HG THR 102 26.070 13.892 5.559 731 HG21 THR 102 3HG2 THR 102 26.444 9.902 6.226 732 HG22 THR 102 1HG2 THR 102 27.161 10.619 4.764 733 HG23 THR 102 2HG2 THR 102 25.415 10.581 4.948 734 H SER 103 H SER 103 24.885 12.288 9.878 735 HA SER 103 HA SER 103 27.276 13.749 10.618 736 HB2 SER 103 1HB SER 103 26.257 15.446 11.926 737 HB3 SER 103 2HB SER 103 25.527 15.555 10.320 738 HG SER 103 HG SER 103 24.147 15.589 12.344 739 H ILE 104 H ILE 104 26.613 13.999 13.357 740 HA ILE 104 HA ILE 104 26.678 11.162 14.197 741 HB ILE 104 HB ILE 104 27.934 11.994 16.117 742 HG12 ILE 104 1HG1 ILE 104 27.877 14.767 14.824 743 HG13 ILE 104 2HG1 ILE 104 26.872 14.301 16.195 744 HG21 ILE 104 1HG2 ILE 104 29.164 13.035 13.523 745 HG22 ILE 104 2HG2 ILE 104 30.007 12.444 14.972 746 HG23 ILE 104 3HG2 ILE 104 29.070 11.322 13.995 747 HD11 ILE 104 3HD1 ILE 104 28.787 15.499 17.019 748 HD12 ILE 104 1HD1 ILE 104 28.918 13.805 17.525 749 HD13 ILE 104 2HD1 ILE 104 29.910 14.418 16.178 750 H ASP 105 H ASP 105 24.178 12.978 13.808 751 HA ASP 105 HA ASP 105 23.214 13.831 16.344 752 HB2 ASP 105 1HB ASP 105 22.381 14.639 14.142 753 HB3 ASP 105 2HB ASP 105 21.636 13.067 13.860 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -27.781 -10.188 0.854 2 HA2 GLY 1 1HA GLY 1 -29.191 -9.740 -1.173 3 HA3 GLY 1 2HA GLY 1 -30.117 -10.022 0.325 4 H HIS 2 H HIS 2 -31.316 -8.612 -1.730 5 HA HIS 2 HA HIS 2 -32.501 -6.809 -2.200 6 HB2 HIS 2 1HB HIS 2 -32.009 -5.757 0.587 7 HB3 HIS 2 2HB HIS 2 -33.387 -5.470 -0.469 8 HD1 HIS 2 1HD HIS 2 -35.123 -7.683 -0.719 9 HD2 HIS 2 2HD HIS 2 -31.977 -7.909 2.082 10 HE1 HIS 2 1HE HIS 2 -35.554 -9.757 0.704 11 H MET 3 H MET 3 -30.777 -6.332 -3.746 12 HA MET 3 HA MET 3 -30.019 -3.547 -3.435 13 HB2 MET 3 1HB MET 3 -28.079 -5.556 -4.657 14 HB3 MET 3 2HB MET 3 -27.872 -3.823 -4.484 15 HG2 MET 3 1HG MET 3 -26.541 -4.589 -2.779 16 HG3 MET 3 2HG MET 3 -28.038 -4.240 -1.921 17 HE1 MET 3 3HE MET 3 -26.648 -7.169 -4.177 18 HE2 MET 3 1HE MET 3 -25.373 -6.925 -2.958 19 HE3 MET 3 2HE MET 3 -26.316 -8.428 -2.974 20 H GLY 4 H GLY 4 -29.825 -2.609 -5.684 21 HA2 GLY 4 1HA GLY 4 -30.420 -3.977 -8.079 22 HA3 GLY 4 2HA GLY 4 -31.946 -3.443 -7.340 23 H SER 5 H SER 5 -28.597 -2.190 -7.925 24 HA SER 5 HA SER 5 -29.564 0.309 -9.029 25 HB2 SER 5 1HB SER 5 -28.494 1.653 -7.145 26 HB3 SER 5 2HB SER 5 -29.962 0.783 -6.687 27 HG SER 5 HG SER 5 -27.293 0.307 -6.004 28 HA PRO 6 HA PRO 6 -25.209 0.094 -10.440 29 HB2 PRO 6 1HB PRO 6 -24.440 2.724 -10.571 30 HB3 PRO 6 2HB PRO 6 -25.577 2.002 -11.752 31 HG2 PRO 6 1HG PRO 6 -26.257 3.586 -9.249 32 HG3 PRO 6 2HG PRO 6 -26.869 3.835 -10.911 33 HD2 PRO 6 1HD PRO 6 -28.306 2.441 -9.114 34 HD3 PRO 6 2HD PRO 6 -28.233 1.908 -10.818 35 H VAL 7 H VAL 7 -23.006 0.552 -9.530 36 HA VAL 7 HA VAL 7 -22.991 1.498 -6.738 37 HB VAL 7 HB VAL 7 -21.598 -1.016 -7.739 38 HG11 VAL 7 1HG1 VAL 7 -20.330 0.191 -6.036 39 HG12 VAL 7 2HG1 VAL 7 -21.789 0.407 -5.059 40 HG13 VAL 7 3HG1 VAL 7 -21.074 -1.220 -5.271 41 HG21 VAL 7 3HG2 VAL 7 -24.002 -0.722 -5.892 42 HG22 VAL 7 1HG2 VAL 7 -23.945 -1.558 -7.459 43 HG23 VAL 7 2HG2 VAL 7 -23.046 -2.197 -6.077 44 H SER 8 H SER 8 -21.861 3.273 -6.800 45 HA SER 8 HA SER 8 -19.888 3.775 -8.939 46 HB2 SER 8 1HB SER 8 -21.054 5.595 -6.787 47 HB3 SER 8 2HB SER 8 -20.045 6.093 -8.158 48 HG SER 8 HG SER 8 -21.729 4.991 -9.483 49 H TYR 9 H TYR 9 -17.786 3.437 -8.507 50 HA TYR 9 HA TYR 9 -16.860 3.200 -5.682 51 HB2 TYR 9 1HB TYR 9 -16.001 1.936 -8.273 52 HB3 TYR 9 2HB TYR 9 -14.757 2.401 -7.129 53 HD1 TYR 9 1HD TYR 9 -18.204 0.907 -6.586 54 HD2 TYR 9 2HD TYR 9 -13.951 0.599 -5.985 55 HE1 TYR 9 1HE TYR 9 -18.582 -1.027 -5.169 56 HE2 TYR 9 2HE TYR 9 -14.302 -1.356 -4.512 57 HH TYR 9 HH TYR 9 -17.324 -3.004 -4.092 58 H TYR 10 H TYR 10 -15.543 4.736 -4.907 59 HA TYR 10 HA TYR 10 -14.576 6.902 -6.707 60 HB2 TYR 10 1HB TYR 10 -14.996 6.810 -3.687 61 HB3 TYR 10 2HB TYR 10 -14.278 8.131 -4.603 62 HD1 TYR 10 2HD TYR 10 -17.466 6.243 -4.098 63 HD2 TYR 10 1HD TYR 10 -15.602 9.802 -5.665 64 HE1 TYR 10 2HE TYR 10 -19.702 7.245 -4.467 65 HE2 TYR 10 1HE TYR 10 -17.796 10.809 -6.033 66 HH TYR 10 HH TYR 10 -20.078 10.458 -6.051 67 H PHE 11 H PHE 11 -12.389 6.820 -7.110 68 HA PHE 11 HA PHE 11 -10.544 5.463 -5.321 69 HB2 PHE 11 1HB PHE 11 -9.872 3.738 -6.975 70 HB3 PHE 11 2HB PHE 11 -11.462 3.489 -6.332 71 HD1 PHE 11 1HD PHE 11 -13.455 4.061 -7.783 72 HD2 PHE 11 2HD PHE 11 -9.458 3.865 -9.335 73 HE1 PHE 11 1HE PHE 11 -14.376 3.656 -10.035 74 HE2 PHE 11 2HE PHE 11 -10.364 3.449 -11.590 75 HZ PHE 11 HZ PHE 11 -12.801 3.286 -11.971 76 H SER 12 H SER 12 -10.140 7.889 -5.530 77 HA SER 12 HA SER 12 -7.592 7.726 -6.580 78 HB2 SER 12 1HB SER 12 -7.600 9.865 -7.954 79 HB3 SER 12 2HB SER 12 -8.253 8.429 -8.711 80 HG SER 12 HG SER 12 -10.324 9.102 -8.249 81 H TYR 13 H TYR 13 -7.022 10.662 -6.317 82 HA TYR 13 HA TYR 13 -7.373 10.993 -3.401 83 HB2 TYR 13 1HB TYR 13 -5.878 12.476 -5.598 84 HB3 TYR 13 2HB TYR 13 -6.131 13.152 -4.018 85 HD1 TYR 13 1HD TYR 13 -5.038 12.380 -2.027 86 HD2 TYR 13 2HD TYR 13 -4.088 10.728 -5.885 87 HE1 TYR 13 1HE TYR 13 -2.898 11.603 -1.159 88 HE2 TYR 13 2HE TYR 13 -1.842 10.019 -5.029 89 HH TYR 13 HH TYR 13 -0.666 10.971 -1.975 90 H ALA 14 H ALA 14 -8.501 12.837 -2.627 91 HA ALA 14 HA ALA 14 -10.758 13.692 -4.238 92 HB1 ALA 14 1HB ALA 14 -9.842 14.588 -1.468 93 HB2 ALA 14 2HB ALA 14 -11.426 14.876 -2.179 94 HB3 ALA 14 3HB ALA 14 -10.955 13.232 -1.806 95 H ASP 15 H ASP 15 -7.595 14.948 -3.462 96 HA ASP 15 HA ASP 15 -7.995 17.620 -4.448 97 HB2 ASP 15 1HB ASP 15 -5.589 17.721 -4.761 98 HB3 ASP 15 2HB ASP 15 -6.016 17.121 -3.167 99 H GLY 16 H GLY 16 -8.452 14.671 -6.018 100 HA2 GLY 16 1HA GLY 16 -9.360 14.481 -8.089 101 HA3 GLY 16 2HA GLY 16 -8.903 16.153 -8.454 102 H GLY 17 H GLY 17 -6.224 14.353 -7.282 103 HA2 GLY 17 1HA GLY 17 -5.171 14.004 -10.061 104 HA3 GLY 17 2HA GLY 17 -4.242 14.233 -8.591 105 H THR 18 H THR 18 -3.239 12.286 -9.808 106 HA THR 18 HA THR 18 -4.210 9.843 -8.475 107 HB THR 18 HB THR 18 -3.540 8.479 -10.473 108 HG1 THR 18 1HG THR 18 -2.456 10.017 -11.708 109 HG21 THR 18 3HG2 THR 18 -5.688 8.733 -11.561 110 HG22 THR 18 1HG2 THR 18 -5.918 10.337 -10.841 111 HG23 THR 18 2HG2 THR 18 -5.875 8.889 -9.811 112 H SER 19 H SER 19 -2.027 11.838 -7.766 113 HA SER 19 HA SER 19 -0.173 9.762 -7.081 114 HB2 SER 19 1HB SER 19 0.367 10.589 -9.592 115 HB3 SER 19 2HB SER 19 1.158 11.921 -8.742 116 HG SER 19 HG SER 19 1.556 9.119 -8.379 117 H HIS 20 H HIS 20 1.899 10.792 -6.157 118 HA HIS 20 HA HIS 20 1.620 13.567 -5.270 119 HB2 HIS 20 1HB HIS 20 0.544 11.922 -3.544 120 HB3 HIS 20 2HB HIS 20 2.197 11.541 -3.086 121 HD1 HIS 20 1HD HIS 20 -0.217 14.654 -3.315 122 HD2 HIS 20 2HD HIS 20 3.196 13.173 -1.255 123 HE1 HIS 20 1HE HIS 20 0.273 16.255 -1.431 124 H THR 21 H THR 21 3.719 14.529 -5.210 125 HA THR 21 HA THR 21 6.061 12.823 -4.797 126 HB THR 21 HB THR 21 6.157 14.823 -7.043 127 HG1 THR 21 1HG THR 21 5.162 13.489 -8.161 128 HG21 THR 21 3HG2 THR 21 8.242 13.584 -7.578 129 HG22 THR 21 1HG2 THR 21 7.982 12.556 -6.153 130 HG23 THR 21 2HG2 THR 21 8.295 14.292 -5.954 131 H GLU 22 H GLU 22 6.793 13.736 -2.940 132 HA GLU 22 HA GLU 22 6.856 16.710 -2.783 133 HB2 GLU 22 1HB GLU 22 5.778 15.108 -0.956 134 HB3 GLU 22 2HB GLU 22 7.470 14.893 -0.469 135 HG2 GLU 22 1HG GLU 22 6.612 16.655 0.859 136 HG3 GLU 22 2HG GLU 22 7.627 17.431 -0.337 137 H TYR 23 H TYR 23 8.738 17.691 -1.875 138 HA TYR 23 HA TYR 23 11.316 16.323 -2.367 139 HB2 TYR 23 1HB TYR 23 10.363 18.983 -3.508 140 HB3 TYR 23 2HB TYR 23 12.005 18.382 -3.588 141 HD1 TYR 23 2HD TYR 23 8.551 17.875 -4.893 142 HD2 TYR 23 1HD TYR 23 12.674 16.653 -5.119 143 HE1 TYR 23 2HE TYR 23 8.113 16.867 -7.092 144 HE2 TYR 23 1HE TYR 23 12.244 15.600 -7.315 145 HH TYR 23 HH TYR 23 10.751 15.571 -9.103 146 HA PRO 24 HA PRO 24 10.988 19.191 1.439 147 HB2 PRO 24 1HB PRO 24 11.147 17.449 3.517 148 HB3 PRO 24 2HB PRO 24 9.611 17.746 2.644 149 HG2 PRO 24 1HG PRO 24 11.581 15.482 2.238 150 HG3 PRO 24 2HG PRO 24 9.801 15.391 2.414 151 HD2 PRO 24 1HD PRO 24 11.023 15.380 -0.038 152 HD3 PRO 24 2HD PRO 24 9.422 16.111 0.262 153 H ASP 25 H ASP 25 12.779 19.264 3.400 154 HA ASP 25 HA ASP 25 15.127 17.799 2.984 155 HB2 ASP 25 1HB ASP 25 16.659 19.470 2.349 156 HB3 ASP 25 2HB ASP 25 15.323 19.631 1.217 157 H ASP 26 H ASP 26 16.894 18.727 4.457 158 HA ASP 26 HA ASP 26 17.721 19.069 6.441 159 HB2 ASP 26 1HB ASP 26 17.067 21.303 6.503 160 HB3 ASP 26 2HB ASP 26 15.386 20.912 6.890 161 H SER 27 H SER 27 14.373 18.995 7.759 162 HA SER 27 HA SER 27 14.795 16.245 8.704 163 HB2 SER 27 1HB SER 27 14.388 17.005 10.996 164 HB3 SER 27 2HB SER 27 15.840 17.732 10.271 165 HG SER 27 HG SER 27 14.876 19.664 10.093 166 H SER 28 H SER 28 12.730 18.017 6.943 167 HA SER 28 HA SER 28 10.281 17.693 8.499 168 HB2 SER 28 1HB SER 28 10.662 18.559 5.627 169 HB3 SER 28 2HB SER 28 9.188 18.696 6.607 170 HG SER 28 HG SER 28 10.396 20.096 8.023 171 H ALA 29 H ALA 29 10.296 15.483 8.818 172 HA ALA 29 HA ALA 29 8.809 14.014 6.752 173 HB1 ALA 29 1HB ALA 29 11.141 13.217 6.495 174 HB2 ALA 29 2HB ALA 29 11.219 12.859 8.226 175 HB3 ALA 29 3HB ALA 29 10.117 11.946 7.186 176 H GLY 30 H GLY 30 7.322 12.367 7.780 177 HA2 GLY 30 1HA GLY 30 7.246 11.405 10.203 178 HA3 GLY 30 2HA GLY 30 6.755 13.076 10.556 179 H SER 31 H SER 31 5.064 10.912 11.013 180 HA SER 31 HA SER 31 3.582 10.106 8.811 181 HB2 SER 31 1HB SER 31 1.970 9.231 10.551 182 HB3 SER 31 2HB SER 31 3.640 8.756 10.782 183 HG SER 31 HG SER 31 3.272 9.426 12.727 184 H PHE 32 H PHE 32 1.945 10.870 7.689 185 HA PHE 32 HA PHE 32 0.095 12.810 8.980 186 HB2 PHE 32 1HB PHE 32 -0.107 14.071 6.863 187 HB3 PHE 32 2HB PHE 32 1.414 14.225 7.705 188 HD1 PHE 32 1HD PHE 32 -0.150 12.475 4.736 189 HD2 PHE 32 2HD PHE 32 3.424 13.912 6.642 190 HE1 PHE 32 1HE PHE 32 1.110 12.176 2.636 191 HE2 PHE 32 2HE PHE 32 4.623 13.816 4.476 192 HZ PHE 32 HZ PHE 32 3.450 13.007 2.455 193 H ILE 33 H ILE 33 -1.760 13.141 7.061 194 HA ILE 33 HA ILE 33 -2.748 10.498 6.269 195 HB ILE 33 HB ILE 33 -4.406 12.728 7.545 196 HG12 ILE 33 1HG1 ILE 33 -3.488 10.049 8.684 197 HG13 ILE 33 2HG1 ILE 33 -3.025 11.649 9.252 198 HG21 ILE 33 1HG2 ILE 33 -6.248 11.003 7.482 199 HG22 ILE 33 2HG2 ILE 33 -5.735 11.512 5.904 200 HG23 ILE 33 3HG2 ILE 33 -5.175 9.947 6.543 201 HD11 ILE 33 3HD1 ILE 33 -5.748 10.386 9.548 202 HD12 ILE 33 1HD1 ILE 33 -4.602 10.869 10.801 203 HD13 ILE 33 2HD1 ILE 33 -5.419 12.110 9.818 204 H LEU 34 H LEU 34 -4.292 10.850 4.371 205 HA LEU 34 HA LEU 34 -3.823 13.388 2.905 206 HB2 LEU 34 1HB LEU 34 -3.370 10.535 1.961 207 HB3 LEU 34 2HB LEU 34 -3.572 11.897 0.853 208 HG LEU 34 HG LEU 34 -1.356 11.781 2.930 209 HD11 LEU 34 1HD1 LEU 34 -1.309 10.840 0.046 210 HD12 LEU 34 2HD1 LEU 34 -1.098 9.855 1.502 211 HD13 LEU 34 3HD1 LEU 34 0.120 11.055 1.053 212 HD21 LEU 34 3HD2 LEU 34 -0.295 13.471 1.415 213 HD22 LEU 34 1HD2 LEU 34 -1.808 14.030 2.094 214 HD23 LEU 34 2HD2 LEU 34 -1.759 13.470 0.409 215 H ASP 35 H ASP 35 -5.425 13.725 1.281 216 HA ASP 35 HA ASP 35 -8.052 12.903 2.153 217 HB2 ASP 35 1HB ASP 35 -7.105 14.822 -0.000 218 HB3 ASP 35 2HB ASP 35 -8.799 14.561 0.456 219 H ILE 36 H ILE 36 -6.851 10.672 1.340 220 HA ILE 36 HA ILE 36 -7.237 9.995 -1.444 221 HB ILE 36 HB ILE 36 -6.678 8.319 1.056 222 HG12 ILE 36 1HG1 ILE 36 -4.842 9.277 -1.208 223 HG13 ILE 36 2HG1 ILE 36 -4.954 10.053 0.358 224 HG21 ILE 36 1HG2 ILE 36 -5.994 6.545 -0.512 225 HG22 ILE 36 2HG2 ILE 36 -7.687 6.937 -0.730 226 HG23 ILE 36 3HG2 ILE 36 -6.506 7.574 -1.895 227 HD11 ILE 36 3HD1 ILE 36 -4.243 7.873 1.430 228 HD12 ILE 36 1HD1 ILE 36 -3.850 7.319 -0.220 229 HD13 ILE 36 2HD1 ILE 36 -3.026 8.729 0.454 230 H THR 37 H THR 37 -8.937 8.860 -2.407 231 HA THR 37 HA THR 37 -11.422 8.672 -0.825 232 HB THR 37 HB THR 37 -11.309 8.794 -3.831 233 HG1 THR 37 1HG THR 37 -11.029 11.035 -2.096 234 HG21 THR 37 3HG2 THR 37 -13.410 9.957 -3.519 235 HG22 THR 37 1HG2 THR 37 -13.104 10.157 -1.790 236 HG23 THR 37 2HG2 THR 37 -13.425 8.531 -2.445 237 H SER 38 H SER 38 -11.637 6.608 -0.122 238 HA SER 38 HA SER 38 -11.184 4.366 -2.027 239 HB2 SER 38 1HB SER 38 -10.363 4.619 0.887 240 HB3 SER 38 2HB SER 38 -10.141 3.166 -0.123 241 HG SER 38 HG SER 38 -8.289 4.526 0.085 242 H TYR 39 H TYR 39 -13.655 4.773 -2.219 243 HA TYR 39 HA TYR 39 -14.937 2.925 -0.365 244 HB2 TYR 39 1HB TYR 39 -16.657 4.435 0.449 245 HB3 TYR 39 2HB TYR 39 -15.085 5.012 0.914 246 HD1 TYR 39 2HD TYR 39 -14.146 7.174 -0.099 247 HD2 TYR 39 1HD TYR 39 -18.136 5.766 -0.914 248 HE1 TYR 39 2HE TYR 39 -14.840 9.439 -0.720 249 HE2 TYR 39 1HE TYR 39 -18.774 8.013 -1.706 250 HH TYR 39 HH TYR 39 -16.472 10.700 -2.025 251 H LYS 40 H LYS 40 -17.358 2.661 -0.912 252 HA LYS 40 HA LYS 40 -17.907 3.215 -3.784 253 HB2 LYS 40 1HB LYS 40 -19.334 1.347 -3.901 254 HB3 LYS 40 2HB LYS 40 -17.824 0.746 -3.216 255 HG2 LYS 40 1HG LYS 40 -18.779 0.323 -1.116 256 HG3 LYS 40 2HG LYS 40 -20.061 1.498 -1.313 257 HD2 LYS 40 1HD LYS 40 -21.090 0.120 -3.067 258 HD3 LYS 40 2HD LYS 40 -19.947 -1.201 -2.674 259 HE2 LYS 40 1HE LYS 40 -20.748 -1.076 -0.306 260 HE3 LYS 40 2HE LYS 40 -21.905 0.193 -0.782 261 HZ1 LYS 40 3HZ LYS 40 -22.871 -1.998 -0.540 262 HZ2 LYS 40 1HZ LYS 40 -21.963 -2.588 -1.764 263 HZ3 LYS 40 2HZ LYS 40 -23.109 -1.429 -2.038 264 H LYS 41 H LYS 41 -20.194 3.899 -4.166 265 HA LYS 41 HA LYS 41 -21.763 4.411 -1.695 266 HB2 LYS 41 1HB LYS 41 -20.601 6.514 -2.550 267 HB3 LYS 41 2HB LYS 41 -21.607 6.370 -4.001 268 HG2 LYS 41 1HG LYS 41 -23.636 6.618 -2.692 269 HG3 LYS 41 2HG LYS 41 -22.735 6.507 -1.179 270 HD2 LYS 41 1HD LYS 41 -21.465 8.621 -2.559 271 HD3 LYS 41 2HD LYS 41 -23.172 8.801 -2.972 272 HE2 LYS 41 1HE LYS 41 -23.640 8.513 -0.413 273 HE3 LYS 41 2HE LYS 41 -21.904 8.770 -0.192 274 HZ1 LYS 41 3HZ LYS 41 -23.894 10.591 -1.334 275 HZ2 LYS 41 1HZ LYS 41 -22.281 10.907 -1.462 276 HZ3 LYS 41 2HZ LYS 41 -23.024 10.833 0.033 277 H THR 42 H THR 42 -23.839 3.756 -1.923 278 HA THR 42 HA THR 42 -25.298 3.713 -4.301 279 HB THR 42 HB THR 42 -23.797 1.842 -4.930 280 HG1 THR 42 1HG THR 42 -25.502 1.345 -5.873 281 HG21 THR 42 3HG2 THR 42 -23.213 1.022 -2.685 282 HG22 THR 42 1HG2 THR 42 -23.784 -0.277 -3.743 283 HG23 THR 42 2HG2 THR 42 -24.858 0.385 -2.499 284 H GLY 43 H GLY 43 -27.440 2.968 -3.908 285 HA2 GLY 43 1HA GLY 43 -29.341 2.577 -2.710 286 HA3 GLY 43 2HA GLY 43 -28.352 1.676 -1.542 287 H ASN 44 H ASN 44 -27.490 2.771 0.270 288 HA ASN 44 HA ASN 44 -27.898 5.613 0.606 289 HB2 ASN 44 1HB ASN 44 -30.172 4.356 1.187 290 HB3 ASN 44 2HB ASN 44 -29.315 3.934 2.679 291 HD21 ASN 44 1HD2 ASN 44 -30.333 6.641 0.564 292 HD22 ASN 44 2HD2 ASN 44 -30.442 7.837 1.853 293 H SER 45 H SER 45 -25.574 3.879 0.598 294 HA SER 45 HA SER 45 -24.495 4.768 3.145 295 HB2 SER 45 1HB SER 45 -25.346 2.387 3.562 296 HB3 SER 45 2HB SER 45 -24.120 1.846 2.416 297 HG SER 45 HG SER 45 -23.063 1.719 4.293 298 H THR 46 H THR 46 -22.149 4.346 3.231 299 HA THR 46 HA THR 46 -20.864 3.967 0.630 300 HB THR 46 HB THR 46 -18.963 5.441 1.394 301 HG1 THR 46 1HG THR 46 -19.646 5.576 3.565 302 HG21 THR 46 3HG2 THR 46 -20.627 6.104 -0.303 303 HG22 THR 46 1HG2 THR 46 -19.965 7.482 0.570 304 HG23 THR 46 2HG2 THR 46 -21.600 6.882 0.960 305 H LYS 47 H LYS 47 -20.309 1.827 0.917 306 HA LYS 47 HA LYS 47 -19.111 0.951 3.446 307 HB2 LYS 47 1HB LYS 47 -20.468 -0.429 1.590 308 HB3 LYS 47 2HB LYS 47 -18.842 -0.705 0.946 309 HG2 LYS 47 1HG LYS 47 -19.765 -1.276 3.801 310 HG3 LYS 47 2HG LYS 47 -19.812 -2.454 2.511 311 HD2 LYS 47 1HD LYS 47 -17.246 -1.195 3.545 312 HD3 LYS 47 2HD LYS 47 -17.917 -2.731 4.074 313 HE2 LYS 47 1HE LYS 47 -17.841 -3.566 1.702 314 HE3 LYS 47 2HE LYS 47 -16.981 -2.072 1.250 315 HZ1 LYS 47 3HZ LYS 47 -15.217 -2.711 2.769 316 HZ2 LYS 47 1HZ LYS 47 -15.473 -3.944 1.710 317 HZ3 LYS 47 2HZ LYS 47 -16.026 -4.066 3.221 318 H ALA 48 H ALA 48 -17.000 1.440 3.897 319 HA ALA 48 HA ALA 48 -15.278 2.722 1.942 320 HB1 ALA 48 1HB ALA 48 -15.109 3.122 4.412 321 HB2 ALA 48 2HB ALA 48 -14.538 1.444 4.606 322 HB3 ALA 48 3HB ALA 48 -13.574 2.616 3.681 323 H LEU 49 H LEU 49 -13.099 1.804 1.337 324 HA LEU 49 HA LEU 49 -12.991 -1.160 1.231 325 HB2 LEU 49 1HB LEU 49 -12.080 0.967 -0.773 326 HB3 LEU 49 2HB LEU 49 -11.452 -0.654 -0.734 327 HG LEU 49 HG LEU 49 -12.959 -0.678 -2.419 328 HD11 LEU 49 1HD1 LEU 49 -13.247 -2.661 -0.937 329 HD12 LEU 49 2HD1 LEU 49 -14.690 -2.281 -1.868 330 HD13 LEU 49 3HD1 LEU 49 -14.606 -1.856 -0.147 331 HD21 LEU 49 3HD2 LEU 49 -15.231 0.112 -2.448 332 HD22 LEU 49 1HD2 LEU 49 -14.125 1.389 -1.936 333 HD23 LEU 49 2HD2 LEU 49 -15.144 0.562 -0.732 334 H SER 50 H SER 50 -11.254 -1.990 2.219 335 HA SER 50 HA SER 50 -9.381 -0.476 3.702 336 HB2 SER 50 1HB SER 50 -8.504 -3.148 3.452 337 HB3 SER 50 2HB SER 50 -9.543 -2.487 4.716 338 HG SER 50 HG SER 50 -10.668 -4.195 3.887 339 H TRP 51 H TRP 51 -6.932 -1.047 3.378 340 HA TRP 51 HA TRP 51 -6.010 -1.938 0.884 341 HB2 TRP 51 1HB TRP 51 -4.878 -0.011 -0.021 342 HB3 TRP 51 2HB TRP 51 -6.564 0.303 0.043 343 HD1 TRP 51 HD TRP 51 -3.269 1.628 1.163 344 HE1 TRP 51 1HE TRP 51 -3.563 3.924 2.336 345 HE3 TRP 51 3HE TRP 51 -8.357 1.635 1.794 346 HZ2 TRP 51 2HZ TRP 51 -5.735 5.698 2.947 347 HZ3 TRP 51 3HZ TRP 51 -9.492 3.611 2.731 348 HH2 TRP 51 HH TRP 51 -8.207 5.694 3.243 349 H ASN 52 H ASN 52 -3.641 -1.806 0.705 350 HA ASN 52 HA ASN 52 -2.045 -0.733 2.834 351 HB2 ASN 52 1HB ASN 52 -2.664 -3.594 2.902 352 HB3 ASN 52 2HB ASN 52 -0.947 -3.357 2.620 353 HD21 ASN 52 1HD2 ASN 52 -3.001 -3.916 5.114 354 HD22 ASN 52 2HD2 ASN 52 -2.157 -3.003 6.349 355 H ALA 53 H ALA 53 0.310 -0.784 2.167 356 HA ALA 53 HA ALA 53 0.523 -0.507 -0.806 357 HB1 ALA 53 1HB ALA 53 2.243 1.116 -0.305 358 HB2 ALA 53 2HB ALA 53 0.731 1.533 0.514 359 HB3 ALA 53 3HB ALA 53 2.073 0.805 1.431 360 H SER 54 H SER 54 2.941 -0.702 -1.526 361 HA SER 54 HA SER 54 4.640 -2.404 0.107 362 HB2 SER 54 1HB SER 54 4.958 -4.078 -1.715 363 HB3 SER 54 2HB SER 54 3.413 -4.207 -0.852 364 HG SER 54 HG SER 54 3.812 -2.908 -3.355 365 H GLY 55 H GLY 55 6.690 -1.744 -0.189 366 HA2 GLY 55 1HA GLY 55 8.090 -1.543 -2.498 367 HA3 GLY 55 2HA GLY 55 7.507 0.110 -2.260 368 H ASP 56 H ASP 56 9.244 1.208 -1.479 369 HA ASP 56 HA ASP 56 11.521 0.243 -0.260 370 HB2 ASP 56 1HB ASP 56 10.217 2.954 -0.376 371 HB3 ASP 56 2HB ASP 56 11.627 2.712 0.617 372 H SER 57 H SER 57 12.413 0.211 1.721 373 HA SER 57 HA SER 57 10.845 -0.769 3.804 374 HB2 SER 57 1HB SER 57 13.682 0.136 4.227 375 HB3 SER 57 2HB SER 57 12.881 -1.370 4.712 376 HG SER 57 HG SER 57 14.134 -1.995 3.163 377 H TRP 58 H TRP 58 10.875 2.381 3.135 378 HA TRP 58 HA TRP 58 10.827 3.335 5.952 379 HB2 TRP 58 1HB TRP 58 11.989 5.398 5.180 380 HB3 TRP 58 2HB TRP 58 12.979 3.961 5.134 381 HD1 TRP 58 HD TRP 58 13.383 2.829 2.671 382 HE1 TRP 58 1HE TRP 58 13.598 3.911 0.357 383 HE3 TRP 58 3HE TRP 58 11.131 7.339 3.594 384 HZ2 TRP 58 2HZ TRP 58 13.485 6.587 -0.712 385 HZ3 TRP 58 3HZ TRP 58 11.198 9.139 1.896 386 HH2 TRP 58 HH TRP 58 12.450 8.804 -0.241 387 H ILE 59 H ILE 59 8.814 2.678 3.556 388 HA ILE 59 HA ILE 59 7.306 5.230 3.821 389 HB ILE 59 HB ILE 59 7.680 3.439 1.411 390 HG12 ILE 59 1HG1 ILE 59 8.166 6.426 1.798 391 HG13 ILE 59 2HG1 ILE 59 9.413 5.187 1.886 392 HG21 ILE 59 1HG2 ILE 59 5.380 3.838 1.301 393 HG22 ILE 59 2HG2 ILE 59 5.471 5.411 2.064 394 HG23 ILE 59 3HG2 ILE 59 5.991 5.233 0.387 395 HD11 ILE 59 3HD1 ILE 59 9.580 6.129 -0.272 396 HD12 ILE 59 1HD1 ILE 59 8.857 4.537 -0.494 397 HD13 ILE 59 2HD1 ILE 59 7.841 5.974 -0.588 398 H HIS 60 H HIS 60 5.722 4.802 5.172 399 HA HIS 60 HA HIS 60 4.677 2.042 5.552 400 HB2 HIS 60 1HB HIS 60 4.795 4.477 7.397 401 HB3 HIS 60 2HB HIS 60 4.014 2.954 7.791 402 HD1 HIS 60 1HD HIS 60 5.538 1.212 9.031 403 HD2 HIS 60 2HD HIS 60 7.646 4.139 6.818 404 HE1 HIS 60 1HE HIS 60 7.971 0.796 9.443 405 H VAL 61 H VAL 61 2.419 1.774 5.543 406 HA VAL 61 HA VAL 61 0.657 4.094 5.305 407 HB VAL 61 HB VAL 61 0.509 1.769 3.324 408 HG11 VAL 61 1HG1 VAL 61 -1.248 3.139 2.238 409 HG12 VAL 61 2HG1 VAL 61 -1.703 2.724 3.898 410 HG13 VAL 61 3HG1 VAL 61 -1.104 4.353 3.527 411 HG21 VAL 61 3HG2 VAL 61 2.372 3.164 2.624 412 HG22 VAL 61 1HG2 VAL 61 0.993 3.520 1.578 413 HG23 VAL 61 2HG2 VAL 61 1.407 4.637 2.883 414 H ASN 62 H ASN 62 -1.062 3.717 6.679 415 HA ASN 62 HA ASN 62 -1.748 0.955 7.509 416 HB2 ASN 62 1HB ASN 62 -0.955 3.373 9.150 417 HB3 ASN 62 2HB ASN 62 -2.249 2.344 9.696 418 HD21 ASN 62 1HD2 ASN 62 0.420 0.831 7.893 419 HD22 ASN 62 2HD2 ASN 62 1.186 0.081 9.240 420 H GLY 63 H GLY 63 -3.095 1.404 5.607 421 HA2 GLY 63 1HA GLY 63 -4.927 2.166 4.486 422 HA3 GLY 63 2HA GLY 63 -5.716 2.221 6.073 423 H SER 64 H SER 64 -6.519 4.186 6.592 424 HA SER 64 HA SER 64 -5.792 6.603 5.242 425 HB2 SER 64 1HB SER 64 -7.462 7.524 6.968 426 HB3 SER 64 2HB SER 64 -8.014 6.356 5.776 427 HG SER 64 HG SER 64 -7.135 5.428 8.300 428 H SER 65 H SER 65 -3.423 5.520 6.592 429 HA SER 65 HA SER 65 -2.596 8.023 7.831 430 HB2 SER 65 1HB SER 65 -3.333 6.703 9.775 431 HB3 SER 65 2HB SER 65 -2.347 5.338 9.238 432 HG SER 65 HG SER 65 -0.500 6.502 9.668 433 H VAL 66 H VAL 66 -0.267 8.295 7.442 434 HA VAL 66 HA VAL 66 1.096 6.214 5.904 435 HB VAL 66 HB VAL 66 -0.371 7.246 4.295 436 HG11 VAL 66 1HG1 VAL 66 -0.199 9.676 3.688 437 HG12 VAL 66 2HG1 VAL 66 -0.972 9.360 5.238 438 HG13 VAL 66 3HG1 VAL 66 0.708 9.932 5.189 439 HG21 VAL 66 3HG2 VAL 66 1.950 6.736 3.555 440 HG22 VAL 66 1HG2 VAL 66 1.109 7.961 2.586 441 HG23 VAL 66 2HG2 VAL 66 2.329 8.455 3.781 442 H SER 67 H SER 67 3.420 6.776 5.617 443 HA SER 67 HA SER 67 4.492 9.110 6.963 444 HB2 SER 67 1HB SER 67 4.070 6.880 8.590 445 HB3 SER 67 2HB SER 67 5.720 6.615 8.022 446 HG SER 67 HG SER 67 6.304 8.631 8.881 447 H TYR 68 H TYR 68 6.448 9.595 5.921 448 HA TYR 68 HA TYR 68 7.952 7.368 4.648 449 HB2 TYR 68 1HB TYR 68 8.234 10.176 3.655 450 HB3 TYR 68 2HB TYR 68 8.648 8.674 2.846 451 HD1 TYR 68 2HD TYR 68 6.162 7.149 2.976 452 HD2 TYR 68 1HD TYR 68 6.753 11.309 2.212 453 HE1 TYR 68 2HE TYR 68 3.835 7.304 2.132 454 HE2 TYR 68 1HE TYR 68 4.474 11.486 1.306 455 HH TYR 68 HH TYR 68 2.358 10.450 1.598 456 H ASP 69 H ASP 69 9.928 7.153 5.580 457 HA ASP 69 HA ASP 69 10.530 9.039 7.789 458 HB2 ASP 69 1HB ASP 69 10.461 6.186 7.518 459 HB3 ASP 69 2HB ASP 69 12.146 6.633 7.769 460 H GLU 70 H GLU 70 12.602 9.932 8.146 461 HA GLU 70 HA GLU 70 14.192 10.261 5.734 462 HB2 GLU 70 1HB GLU 70 14.319 11.268 8.548 463 HB3 GLU 70 2HB GLU 70 15.763 11.372 7.535 464 HG2 GLU 70 1HG GLU 70 14.779 12.717 5.906 465 HG3 GLU 70 2HG GLU 70 13.141 12.255 6.346 466 H ASN 71 H ASN 71 16.436 9.856 5.657 467 HA ASN 71 HA ASN 71 17.026 7.101 6.487 468 HB2 ASN 71 1HB ASN 71 18.616 7.161 4.505 469 HB3 ASN 71 2HB ASN 71 16.905 7.221 4.121 470 HD21 ASN 71 1HD2 ASN 71 19.650 8.388 2.801 471 HD22 ASN 71 2HD2 ASN 71 19.160 9.997 2.431 472 HA PRO 72 HA PRO 72 19.994 8.584 9.137 473 HB2 PRO 72 1HB PRO 72 21.447 6.381 9.724 474 HB3 PRO 72 2HB PRO 72 19.677 6.350 9.878 475 HG2 PRO 72 1HG PRO 72 21.316 5.487 7.444 476 HG3 PRO 72 2HG PRO 72 20.126 4.509 8.349 477 HD2 PRO 72 1HD PRO 72 19.387 5.857 6.155 478 HD3 PRO 72 2HD PRO 72 18.309 5.773 7.582 479 H ALA 73 H ALA 73 21.057 8.187 6.048 480 HA ALA 73 HA ALA 73 23.773 9.247 6.703 481 HB1 ALA 73 1HB ALA 73 24.060 7.169 5.402 482 HB2 ALA 73 2HB ALA 73 22.936 7.771 4.159 483 HB3 ALA 73 3HB ALA 73 24.492 8.576 4.415 484 H LYS 74 H LYS 74 24.352 11.097 5.402 485 HA LYS 74 HA LYS 74 22.070 12.830 4.872 486 HB2 LYS 74 1HB LYS 74 23.713 14.596 4.626 487 HB3 LYS 74 2HB LYS 74 23.923 13.712 6.121 488 HG2 LYS 74 1HG LYS 74 26.054 13.364 5.635 489 HG3 LYS 74 2HG LYS 74 25.581 12.366 4.247 490 HD2 LYS 74 1HD LYS 74 25.392 14.531 2.894 491 HD3 LYS 74 2HD LYS 74 26.181 15.340 4.247 492 HE2 LYS 74 1HE LYS 74 27.291 13.114 2.480 493 HE3 LYS 74 2HE LYS 74 27.819 14.800 2.552 494 HZ1 LYS 74 3HZ LYS 74 28.425 14.294 4.936 495 HZ2 LYS 74 1HZ LYS 74 29.345 13.540 3.781 496 HZ3 LYS 74 2HZ LYS 74 28.214 12.694 4.588 497 H GLU 75 H GLU 75 23.134 10.436 3.017 498 HA GLU 75 HA GLU 75 23.556 11.864 0.505 499 HB2 GLU 75 1HB GLU 75 23.060 8.958 1.241 500 HB3 GLU 75 2HB GLU 75 23.049 9.515 -0.430 501 HG2 GLU 75 1HG GLU 75 25.374 10.439 -0.064 502 HG3 GLU 75 2HG GLU 75 25.395 9.569 1.473 503 H ARG 76 H ARG 76 21.914 11.750 -1.213 504 HA ARG 76 HA ARG 76 19.139 11.769 -0.212 505 HB2 ARG 76 1HB ARG 76 20.092 13.369 -2.067 506 HB3 ARG 76 2HB ARG 76 20.131 11.951 -3.127 507 HG2 ARG 76 1HG ARG 76 17.599 11.713 -2.553 508 HG3 ARG 76 2HG ARG 76 17.772 13.340 -1.894 509 HD2 ARG 76 1HD ARG 76 18.552 12.923 -4.748 510 HD3 ARG 76 2HD ARG 76 16.856 12.858 -4.318 511 HE ARG 76 HE ARG 76 16.805 15.067 -3.745 512 HH11 ARG 76 1HH1 ARG 76 20.160 14.191 -4.576 513 HH12 ARG 76 2HH1 ARG 76 20.833 15.579 -3.789 514 HH21 ARG 76 1HH2 ARG 76 17.709 17.206 -3.278 515 HH22 ARG 76 2HH2 ARG 76 19.405 17.328 -3.083 516 H ARG 77 H ARG 77 17.576 10.210 -0.764 517 HA ARG 77 HA ARG 77 18.326 8.269 -2.841 518 HB2 ARG 77 1HB ARG 77 17.259 6.428 -1.696 519 HB3 ARG 77 2HB ARG 77 18.502 7.089 -0.617 520 HG2 ARG 77 1HG ARG 77 16.572 8.458 0.472 521 HG3 ARG 77 2HG ARG 77 15.488 7.437 -0.438 522 HD2 ARG 77 1HD ARG 77 17.500 6.570 1.653 523 HD3 ARG 77 2HD ARG 77 15.739 6.670 1.846 524 HE ARG 77 HE ARG 77 16.118 4.902 -0.277 525 HH11 ARG 77 1HH1 ARG 77 16.635 5.115 3.158 526 HH12 ARG 77 2HH1 ARG 77 16.789 3.428 3.482 527 HH21 ARG 77 1HH2 ARG 77 16.076 2.634 0.036 528 HH22 ARG 77 2HH2 ARG 77 16.384 1.921 1.573 529 H THR 78 H THR 78 16.582 7.918 -4.224 530 HA THR 78 HA THR 78 14.061 9.395 -3.720 531 HB THR 78 HB THR 78 15.043 7.675 -6.040 532 HG1 THR 78 1HG THR 78 16.025 9.764 -5.757 533 HG21 THR 78 3HG2 THR 78 12.605 7.547 -5.973 534 HG22 THR 78 1HG2 THR 78 13.088 8.635 -7.283 535 HG23 THR 78 2HG2 THR 78 12.467 9.289 -5.749 536 H GLY 79 H GLY 79 12.137 8.176 -3.275 537 HA2 GLY 79 1HA GLY 79 12.423 5.254 -2.720 538 HA3 GLY 79 2HA GLY 79 11.410 6.332 -1.752 539 H LEU 80 H LEU 80 10.459 4.005 -3.263 540 HA LEU 80 HA LEU 80 8.322 5.385 -4.692 541 HB2 LEU 80 1HB LEU 80 10.222 4.903 -6.351 542 HB3 LEU 80 2HB LEU 80 9.927 3.193 -6.043 543 HG LEU 80 HG LEU 80 7.535 3.542 -6.825 544 HD11 LEU 80 1HD1 LEU 80 7.318 5.981 -6.531 545 HD12 LEU 80 2HD1 LEU 80 7.123 5.574 -8.233 546 HD13 LEU 80 3HD1 LEU 80 8.662 6.265 -7.660 547 HD21 LEU 80 3HD2 LEU 80 8.193 3.635 -9.220 548 HD22 LEU 80 1HD2 LEU 80 9.253 2.580 -8.287 549 HD23 LEU 80 2HD2 LEU 80 9.815 4.199 -8.749 550 H VAL 81 H VAL 81 6.373 4.328 -3.989 551 HA VAL 81 HA VAL 81 6.584 1.400 -3.730 552 HB VAL 81 HB VAL 81 5.333 1.217 -1.860 553 HG11 VAL 81 1HG1 VAL 81 7.654 2.141 -1.444 554 HG12 VAL 81 2HG1 VAL 81 6.854 3.648 -1.040 555 HG13 VAL 81 3HG1 VAL 81 6.506 2.173 -0.093 556 HG21 VAL 81 3HG2 VAL 81 4.399 4.064 -1.956 557 HG22 VAL 81 1HG2 VAL 81 3.441 2.562 -2.094 558 HG23 VAL 81 2HG2 VAL 81 4.175 2.977 -0.560 559 H THR 82 H THR 82 4.584 0.314 -4.076 560 HA THR 82 HA THR 82 2.769 1.740 -5.928 561 HB THR 82 HB THR 82 3.033 -1.255 -5.486 562 HG1 THR 82 1HG THR 82 4.332 0.189 -7.555 563 HG21 THR 82 3HG2 THR 82 2.165 -1.316 -7.866 564 HG22 THR 82 1HG2 THR 82 1.807 0.425 -7.736 565 HG23 THR 82 2HG2 THR 82 1.006 -0.737 -6.671 566 H LEU 83 H LEU 83 0.532 1.369 -5.555 567 HA LEU 83 HA LEU 83 -0.330 0.314 -2.944 568 HB2 LEU 83 1HB LEU 83 -1.080 2.957 -4.262 569 HB3 LEU 83 2HB LEU 83 -1.961 2.225 -2.938 570 HG LEU 83 HG LEU 83 0.492 2.155 -1.860 571 HD11 LEU 83 1HD1 LEU 83 1.646 3.410 -3.645 572 HD12 LEU 83 2HD1 LEU 83 1.653 4.281 -2.113 573 HD13 LEU 83 3HD1 LEU 83 0.542 4.771 -3.396 574 HD21 LEU 83 3HD2 LEU 83 -1.305 4.585 -1.712 575 HD22 LEU 83 1HD2 LEU 83 -0.133 4.025 -0.494 576 HD23 LEU 83 2HD2 LEU 83 -1.574 3.064 -0.826 577 H LYS 84 H LYS 84 -2.781 0.004 -3.001 578 HA LYS 84 HA LYS 84 -4.057 -0.336 -5.567 579 HB2 LYS 84 1HB LYS 84 -2.683 -2.544 -5.027 580 HB3 LYS 84 2HB LYS 84 -3.961 -2.829 -3.848 581 HG2 LYS 84 1HG LYS 84 -5.073 -3.804 -5.580 582 HG3 LYS 84 2HG LYS 84 -5.441 -2.158 -6.117 583 HD2 LYS 84 1HD LYS 84 -3.432 -2.146 -7.526 584 HD3 LYS 84 2HD LYS 84 -3.043 -3.789 -7.038 585 HE2 LYS 84 1HE LYS 84 -5.617 -2.956 -8.472 586 HE3 LYS 84 2HE LYS 84 -4.174 -3.600 -9.275 587 HZ1 LYS 84 3HZ LYS 84 -5.653 -5.369 -8.954 588 HZ2 LYS 84 1HZ LYS 84 -5.935 -5.035 -7.395 589 HZ3 LYS 84 2HZ LYS 84 -4.448 -5.596 -7.852 590 H GLN 85 H GLN 85 -6.183 -1.981 -4.403 591 HA GLN 85 HA GLN 85 -7.019 -0.575 -1.955 592 HB2 GLN 85 1HB GLN 85 -8.044 0.354 -4.268 593 HB3 GLN 85 2HB GLN 85 -8.983 -1.113 -4.155 594 HG2 GLN 85 1HG GLN 85 -10.481 -0.016 -2.923 595 HG3 GLN 85 2HG GLN 85 -9.297 0.071 -1.616 596 HE21 GLN 85 1HE2 GLN 85 -11.228 2.057 -3.729 597 HE22 GLN 85 2HE2 GLN 85 -10.239 3.471 -3.579 598 H ASP 86 H ASP 86 -8.788 -1.896 -0.916 599 HA ASP 86 HA ASP 86 -8.562 -4.613 -0.735 600 HB2 ASP 86 1HB ASP 86 -9.894 -3.207 0.745 601 HB3 ASP 86 2HB ASP 86 -11.079 -2.915 -0.531 602 H GLU 87 H GLU 87 -11.181 -3.069 -2.553 603 HA GLU 87 HA GLU 87 -11.465 -5.451 -4.318 604 HB2 GLU 87 1HB GLU 87 -13.232 -3.101 -3.602 605 HB3 GLU 87 2HB GLU 87 -13.680 -4.269 -4.840 606 HG2 GLU 87 1HG GLU 87 -12.969 -5.121 -2.008 607 HG3 GLU 87 2HG GLU 87 -14.592 -4.627 -2.473 608 H SER 88 H SER 88 -10.577 -2.088 -4.428 609 HA SER 88 HA SER 88 -10.896 -1.957 -7.365 610 HB2 SER 88 1HB SER 88 -12.010 -0.296 -5.833 611 HB3 SER 88 2HB SER 88 -10.405 0.350 -5.466 612 HG SER 88 HG SER 88 -11.515 0.114 -8.094 613 H GLY 89 H GLY 89 -9.111 0.097 -7.869 614 HA2 GLY 89 1HA GLY 89 -6.418 -1.058 -7.576 615 HA3 GLY 89 2HA GLY 89 -7.130 -1.003 -9.187 616 H LYS 90 H LYS 90 -7.230 1.235 -6.375 617 HA LYS 90 HA LYS 90 -6.260 3.573 -7.861 618 HB2 LYS 90 1HB LYS 90 -6.401 2.839 -4.892 619 HB3 LYS 90 2HB LYS 90 -5.536 4.254 -5.512 620 HG2 LYS 90 1HG LYS 90 -7.836 4.758 -6.650 621 HG3 LYS 90 2HG LYS 90 -8.457 3.765 -5.309 622 HD2 LYS 90 1HD LYS 90 -6.761 6.307 -5.080 623 HD3 LYS 90 2HD LYS 90 -8.474 6.141 -4.731 624 HE2 LYS 90 1HE LYS 90 -7.722 6.065 -2.648 625 HE3 LYS 90 2HE LYS 90 -7.808 4.363 -3.010 626 HZ1 LYS 90 3HZ LYS 90 -5.395 4.395 -3.447 627 HZ2 LYS 90 1HZ LYS 90 -5.733 4.838 -1.965 628 HZ3 LYS 90 2HZ LYS 90 -5.331 5.996 -3.047 629 H THR 91 H THR 91 -4.351 2.958 -9.005 630 HA THR 91 HA THR 91 -2.244 1.707 -7.306 631 HB THR 91 HB THR 91 -1.002 1.303 -9.328 632 HG1 THR 91 1HG THR 91 -1.756 2.573 -10.895 633 HG21 THR 91 3HG2 THR 91 -2.466 -0.597 -10.066 634 HG22 THR 91 1HG2 THR 91 -3.837 0.118 -9.205 635 HG23 THR 91 2HG2 THR 91 -2.410 -0.414 -8.305 636 H LEU 92 H LEU 92 -1.173 3.150 -6.247 637 HA LEU 92 HA LEU 92 -0.737 5.892 -7.369 638 HB2 LEU 92 1HB LEU 92 -1.440 5.039 -4.572 639 HB3 LEU 92 2HB LEU 92 -0.421 6.445 -4.835 640 HG LEU 92 HG LEU 92 -2.121 7.685 -5.880 641 HD11 LEU 92 1HD1 LEU 92 -4.481 6.636 -6.215 642 HD12 LEU 92 2HD1 LEU 92 -3.629 5.086 -6.223 643 HD13 LEU 92 3HD1 LEU 92 -3.252 6.339 -7.432 644 HD21 LEU 92 3HD2 LEU 92 -2.331 7.480 -3.461 645 HD22 LEU 92 1HD2 LEU 92 -3.297 6.010 -3.612 646 HD23 LEU 92 2HD2 LEU 92 -3.945 7.594 -4.176 647 H SER 93 H SER 93 1.299 6.711 -6.901 648 HA SER 93 HA SER 93 3.444 4.651 -6.888 649 HB2 SER 93 1HB SER 93 3.005 7.132 -8.573 650 HB3 SER 93 2HB SER 93 4.180 5.839 -8.894 651 HG SER 93 HG SER 93 2.324 4.415 -9.210 652 H LEU 94 H LEU 94 3.555 5.460 -4.651 653 HA LEU 94 HA LEU 94 3.839 8.273 -4.101 654 HB2 LEU 94 1HB LEU 94 3.117 6.214 -2.516 655 HB3 LEU 94 2HB LEU 94 4.809 6.290 -2.052 656 HG LEU 94 HG LEU 94 3.737 7.620 -0.490 657 HD11 LEU 94 1HD1 LEU 94 5.698 8.806 -1.411 658 HD12 LEU 94 2HD1 LEU 94 4.493 9.919 -0.787 659 HD13 LEU 94 3HD1 LEU 94 4.619 9.684 -2.527 660 HD21 LEU 94 3HD2 LEU 94 2.092 8.867 -2.735 661 HD22 LEU 94 1HD2 LEU 94 2.041 9.365 -1.034 662 HD23 LEU 94 2HD2 LEU 94 1.553 7.738 -1.463 663 H LYS 95 H LYS 95 5.592 9.410 -4.780 664 HA LYS 95 HA LYS 95 8.272 8.135 -4.719 665 HB2 LYS 95 1HB LYS 95 7.399 8.612 -6.945 666 HB3 LYS 95 2HB LYS 95 7.094 10.297 -6.499 667 HG2 LYS 95 1HG LYS 95 9.546 10.650 -6.247 668 HG3 LYS 95 2HG LYS 95 9.831 8.959 -6.717 669 HD2 LYS 95 1HD LYS 95 8.808 9.348 -8.910 670 HD3 LYS 95 2HD LYS 95 8.333 10.988 -8.438 671 HE2 LYS 95 1HE LYS 95 10.725 11.621 -8.220 672 HE3 LYS 95 2HE LYS 95 11.202 9.989 -8.719 673 HZ1 LYS 95 3HZ LYS 95 11.248 11.612 -10.527 674 HZ2 LYS 95 1HZ LYS 95 9.600 11.827 -10.399 675 HZ3 LYS 95 2HZ LYS 95 10.187 10.382 -10.844 676 H ILE 96 H ILE 96 9.804 9.186 -3.476 677 HA ILE 96 HA ILE 96 9.269 11.981 -2.568 678 HB ILE 96 HB ILE 96 10.519 9.809 -0.834 679 HG12 ILE 96 1HG1 ILE 96 8.313 10.642 0.586 680 HG13 ILE 96 2HG1 ILE 96 7.654 10.637 -1.047 681 HG21 ILE 96 1HG2 ILE 96 10.387 11.534 0.941 682 HG22 ILE 96 2HG2 ILE 96 11.374 12.080 -0.410 683 HG23 ILE 96 3HG2 ILE 96 9.714 12.689 -0.221 684 HD11 ILE 96 3HD1 ILE 96 8.370 8.259 -1.292 685 HD12 ILE 96 1HD1 ILE 96 9.073 8.327 0.344 686 HD13 ILE 96 2HD1 ILE 96 7.329 8.467 0.132 687 H VAL 97 H VAL 97 11.121 13.243 -2.848 688 HA VAL 97 HA VAL 97 13.674 11.884 -3.567 689 HB VAL 97 HB VAL 97 12.498 14.287 -5.004 690 HG11 VAL 97 1HG1 VAL 97 14.958 14.211 -5.050 691 HG12 VAL 97 2HG1 VAL 97 14.908 12.537 -5.655 692 HG13 VAL 97 3HG1 VAL 97 14.301 13.880 -6.652 693 HG21 VAL 97 3HG2 VAL 97 12.619 11.451 -6.053 694 HG22 VAL 97 1HG2 VAL 97 11.137 12.366 -5.659 695 HG23 VAL 97 2HG2 VAL 97 12.169 12.895 -6.986 696 H GLN 98 H GLN 98 14.068 12.267 -1.242 697 HA GLN 98 HA GLN 98 14.168 15.130 -0.437 698 HB2 GLN 98 1HB GLN 98 13.802 14.368 1.848 699 HB3 GLN 98 2HB GLN 98 12.493 13.836 0.788 700 HG2 GLN 98 1HG GLN 98 13.558 11.565 0.706 701 HG3 GLN 98 2HG GLN 98 14.780 12.126 1.848 702 HE21 GLN 98 1HE2 GLN 98 13.707 10.067 2.903 703 HE22 GLN 98 2HE2 GLN 98 12.458 10.448 4.063 704 HA PRO 99 HA PRO 99 18.606 14.227 0.087 705 HB2 PRO 99 1HB PRO 99 19.251 16.158 1.961 706 HB3 PRO 99 2HB PRO 99 19.024 16.480 0.222 707 HG2 PRO 99 1HG PRO 99 17.101 17.012 2.481 708 HG3 PRO 99 2HG PRO 99 17.414 17.937 0.980 709 HD2 PRO 99 1HD PRO 99 15.328 16.112 1.436 710 HD3 PRO 99 2HD PRO 99 15.859 16.720 -0.172 711 H GLY 100 H GLY 100 20.100 13.815 2.094 712 HA2 GLY 100 1HA GLY 100 18.602 11.974 3.863 713 HA3 GLY 100 2HA GLY 100 20.348 12.052 3.659 714 H LYS 101 H LYS 101 19.489 11.900 6.207 715 HA LYS 101 HA LYS 101 19.399 14.702 7.230 716 HB2 LYS 101 1HB LYS 101 17.212 13.747 7.250 717 HB3 LYS 101 2HB LYS 101 17.796 12.245 7.966 718 HG2 LYS 101 1HG LYS 101 18.319 14.762 9.521 719 HG3 LYS 101 2HG LYS 101 16.646 14.335 9.355 720 HD2 LYS 101 1HD LYS 101 18.680 12.260 10.279 721 HD3 LYS 101 2HD LYS 101 18.016 13.423 11.407 722 HE2 LYS 101 1HE LYS 101 16.397 11.436 9.753 723 HE3 LYS 101 2HE LYS 101 16.812 11.284 11.464 724 HZ1 LYS 101 3HZ LYS 101 14.627 12.162 11.352 725 HZ2 LYS 101 1HZ LYS 101 15.024 13.263 10.221 726 HZ3 LYS 101 2HZ LYS 101 15.577 13.463 11.736 727 H THR 102 H THR 102 20.494 15.139 9.077 728 HA THR 102 HA THR 102 21.958 13.173 10.633 729 HB THR 102 HB THR 102 24.032 14.733 10.229 730 HG1 THR 102 1HG THR 102 23.073 16.083 8.813 731 HG21 THR 102 3HG2 THR 102 24.995 13.242 8.519 732 HG22 THR 102 1HG2 THR 102 23.391 12.560 8.181 733 HG23 THR 102 2HG2 THR 102 24.147 12.325 9.771 734 H SER 103 H SER 103 20.616 14.019 12.308 735 HA SER 103 HA SER 103 21.253 16.791 13.025 736 HB2 SER 103 1HB SER 103 18.564 15.760 13.741 737 HB3 SER 103 2HB SER 103 19.057 17.413 13.386 738 HG SER 103 HG SER 103 18.677 17.133 11.321 739 H ILE 104 H ILE 104 20.376 17.064 15.498 740 HA ILE 104 HA ILE 104 21.333 14.682 17.014 741 HB ILE 104 HB ILE 104 20.434 17.344 18.156 742 HG12 ILE 104 1HG1 ILE 104 22.364 17.886 16.800 743 HG13 ILE 104 2HG1 ILE 104 22.786 17.935 18.498 744 HG21 ILE 104 1HG2 ILE 104 22.032 15.000 19.305 745 HG22 ILE 104 2HG2 ILE 104 21.658 16.514 20.156 746 HG23 ILE 104 3HG2 ILE 104 20.360 15.411 19.669 747 HD11 ILE 104 3HD1 ILE 104 23.488 15.663 16.583 748 HD12 ILE 104 1HD1 ILE 104 24.578 16.938 17.142 749 HD13 ILE 104 2HD1 ILE 104 23.953 15.757 18.297 750 H ASP 105 H ASP 105 19.687 13.355 16.234 751 HA ASP 105 HA ASP 105 16.874 13.945 16.776 752 HB2 ASP 105 1HB ASP 105 16.426 11.828 15.812 753 HB3 ASP 105 2HB ASP 105 17.595 12.631 14.772 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -31.193 -8.139 0.032 2 HA2 GLY 1 1HA GLY 1 -28.640 -6.821 -0.653 3 HA3 GLY 1 2HA GLY 1 -29.219 -8.266 -1.524 4 H HIS 2 H HIS 2 -28.777 -5.537 -2.631 5 HA HIS 2 HA HIS 2 -31.207 -5.463 -4.134 6 HB2 HIS 2 1HB HIS 2 -31.713 -3.834 -2.247 7 HB3 HIS 2 2HB HIS 2 -30.341 -2.862 -2.785 8 HD1 HIS 2 1HD HIS 2 -30.752 -2.360 -5.817 9 HD2 HIS 2 2HD HIS 2 -33.949 -2.926 -3.088 10 HE1 HIS 2 1HE HIS 2 -32.795 -1.364 -6.880 11 H MET 3 H MET 3 -30.375 -5.324 -6.196 12 HA MET 3 HA MET 3 -27.751 -4.083 -6.643 13 HB2 MET 3 1HB MET 3 -27.948 -6.816 -6.205 14 HB3 MET 3 2HB MET 3 -28.110 -6.752 -7.951 15 HG2 MET 3 1HG MET 3 -25.966 -5.701 -8.193 16 HG3 MET 3 2HG MET 3 -25.926 -5.229 -6.493 17 HE1 MET 3 3HE MET 3 -22.875 -7.575 -6.594 18 HE2 MET 3 1HE MET 3 -23.411 -6.422 -7.833 19 HE3 MET 3 2HE MET 3 -23.510 -5.989 -6.112 20 H GLY 4 H GLY 4 -27.565 -4.826 -9.390 21 HA2 GLY 4 1HA GLY 4 -28.575 -4.464 -11.456 22 HA3 GLY 4 2HA GLY 4 -30.106 -4.071 -10.665 23 H SER 5 H SER 5 -29.439 -2.049 -8.887 24 HA SER 5 HA SER 5 -29.335 0.285 -10.237 25 HB2 SER 5 1HB SER 5 -27.936 -0.094 -7.566 26 HB3 SER 5 2HB SER 5 -28.859 1.307 -8.124 27 HG SER 5 HG SER 5 -29.827 -0.275 -6.581 28 HA PRO 6 HA PRO 6 -25.105 0.648 -11.668 29 HB2 PRO 6 1HB PRO 6 -24.869 3.335 -12.107 30 HB3 PRO 6 2HB PRO 6 -25.864 2.245 -13.112 31 HG2 PRO 6 1HG PRO 6 -26.737 3.971 -10.761 32 HG3 PRO 6 2HG PRO 6 -27.488 3.907 -12.394 33 HD2 PRO 6 1HD PRO 6 -28.470 2.496 -10.286 34 HD3 PRO 6 2HD PRO 6 -28.460 1.791 -11.935 35 H VAL 7 H VAL 7 -23.365 0.477 -10.461 36 HA VAL 7 HA VAL 7 -23.135 2.012 -7.926 37 HB VAL 7 HB VAL 7 -21.308 -0.191 -8.979 38 HG11 VAL 7 1HG1 VAL 7 -21.762 1.008 -6.208 39 HG12 VAL 7 2HG1 VAL 7 -20.802 -0.442 -6.527 40 HG13 VAL 7 3HG1 VAL 7 -20.290 1.113 -7.188 41 HG21 VAL 7 3HG2 VAL 7 -23.507 -1.187 -8.798 42 HG22 VAL 7 1HG2 VAL 7 -22.595 -1.677 -7.367 43 HG23 VAL 7 2HG2 VAL 7 -23.823 -0.386 -7.264 44 H SER 8 H SER 8 -21.342 3.398 -7.541 45 HA SER 8 HA SER 8 -19.487 3.918 -9.813 46 HB2 SER 8 1HB SER 8 -20.777 5.946 -7.934 47 HB3 SER 8 2HB SER 8 -19.369 6.288 -8.949 48 HG SER 8 HG SER 8 -21.895 5.372 -9.920 49 H TYR 9 H TYR 9 -17.325 4.264 -9.120 50 HA TYR 9 HA TYR 9 -16.750 3.706 -6.244 51 HB2 TYR 9 1HB TYR 9 -15.644 2.476 -8.750 52 HB3 TYR 9 2HB TYR 9 -14.572 2.729 -7.388 53 HD1 TYR 9 1HD TYR 9 -18.030 1.363 -7.892 54 HD2 TYR 9 2HD TYR 9 -14.295 1.054 -5.873 55 HE1 TYR 9 1HE TYR 9 -18.664 -0.888 -7.106 56 HE2 TYR 9 2HE TYR 9 -14.857 -1.227 -5.069 57 HH TYR 9 HH TYR 9 -16.739 -2.853 -4.810 58 H TYR 10 H TYR 10 -14.779 4.445 -5.474 59 HA TYR 10 HA TYR 10 -13.765 6.944 -6.701 60 HB2 TYR 10 1HB TYR 10 -14.572 6.344 -3.836 61 HB3 TYR 10 2HB TYR 10 -13.781 7.803 -4.422 62 HD1 TYR 10 2HD TYR 10 -17.008 5.825 -4.616 63 HD2 TYR 10 1HD TYR 10 -14.991 9.546 -5.520 64 HE1 TYR 10 2HE TYR 10 -19.131 6.809 -5.352 65 HE2 TYR 10 1HE TYR 10 -17.134 10.504 -6.268 66 HH TYR 10 HH TYR 10 -19.436 10.248 -6.235 67 H PHE 11 H PHE 11 -11.680 6.628 -7.183 68 HA PHE 11 HA PHE 11 -9.883 5.271 -5.318 69 HB2 PHE 11 1HB PHE 11 -8.899 4.045 -7.424 70 HB3 PHE 11 2HB PHE 11 -10.167 3.357 -6.458 71 HD1 PHE 11 1HD PHE 11 -9.735 5.385 -9.638 72 HD2 PHE 11 2HD PHE 11 -12.121 2.550 -7.430 73 HE1 PHE 11 1HE PHE 11 -11.159 5.045 -11.614 74 HE2 PHE 11 2HE PHE 11 -13.476 2.125 -9.474 75 HZ PHE 11 HZ PHE 11 -13.036 3.409 -11.544 76 H SER 12 H SER 12 -9.524 7.670 -5.094 77 HA SER 12 HA SER 12 -7.335 8.519 -6.796 78 HB2 SER 12 1HB SER 12 -8.457 10.663 -7.410 79 HB3 SER 12 2HB SER 12 -9.233 9.262 -8.151 80 HG SER 12 HG SER 12 -10.078 10.955 -6.110 81 H TYR 13 H TYR 13 -6.631 10.744 -5.904 82 HA TYR 13 HA TYR 13 -6.984 11.149 -3.016 83 HB2 TYR 13 1HB TYR 13 -5.630 12.657 -5.265 84 HB3 TYR 13 2HB TYR 13 -5.991 13.437 -3.729 85 HD1 TYR 13 1HD TYR 13 -4.916 12.874 -1.666 86 HD2 TYR 13 2HD TYR 13 -3.952 10.739 -5.288 87 HE1 TYR 13 1HE TYR 13 -3.172 11.620 -0.466 88 HE2 TYR 13 2HE TYR 13 -2.123 9.538 -4.089 89 HH TYR 13 HH TYR 13 -1.202 9.061 -1.958 90 H ALA 14 H ALA 14 -8.015 13.325 -2.433 91 HA ALA 14 HA ALA 14 -10.567 13.599 -3.908 92 HB1 ALA 14 1HB ALA 14 -9.534 15.137 -1.490 93 HB2 ALA 14 2HB ALA 14 -11.189 15.140 -2.129 94 HB3 ALA 14 3HB ALA 14 -10.535 13.650 -1.416 95 H ASP 15 H ASP 15 -7.470 15.160 -3.721 96 HA ASP 15 HA ASP 15 -8.342 17.359 -5.505 97 HB2 ASP 15 1HB ASP 15 -8.622 17.907 -3.048 98 HB3 ASP 15 2HB ASP 15 -6.881 17.719 -2.882 99 H GLY 16 H GLY 16 -6.761 14.993 -6.071 100 HA2 GLY 16 1HA GLY 16 -4.240 16.224 -6.882 101 HA3 GLY 16 2HA GLY 16 -4.049 15.131 -5.516 102 H GLY 17 H GLY 17 -6.456 13.765 -7.581 103 HA2 GLY 17 1HA GLY 17 -6.310 12.475 -9.489 104 HA3 GLY 17 2HA GLY 17 -4.582 12.815 -9.633 105 H THR 18 H THR 18 -3.366 10.979 -9.335 106 HA THR 18 HA THR 18 -4.388 8.839 -7.518 107 HB THR 18 HB THR 18 -3.767 7.237 -9.408 108 HG1 THR 18 1HG THR 18 -2.999 9.442 -10.619 109 HG21 THR 18 3HG2 THR 18 -5.944 7.512 -10.533 110 HG22 THR 18 1HG2 THR 18 -6.140 9.109 -9.817 111 HG23 THR 18 2HG2 THR 18 -6.095 7.670 -8.778 112 H SER 19 H SER 19 -2.151 10.828 -7.245 113 HA SER 19 HA SER 19 -0.282 8.939 -6.133 114 HB2 SER 19 1HB SER 19 0.571 8.926 -8.429 115 HB3 SER 19 2HB SER 19 0.424 10.671 -8.533 116 HG SER 19 HG SER 19 2.139 10.915 -7.174 117 H HIS 20 H HIS 20 1.316 10.198 -4.801 118 HA HIS 20 HA HIS 20 0.850 13.091 -4.720 119 HB2 HIS 20 1HB HIS 20 0.175 11.359 -2.545 120 HB3 HIS 20 2HB HIS 20 1.694 12.132 -2.113 121 HD1 HIS 20 1HD HIS 20 -2.016 12.977 -2.543 122 HD2 HIS 20 2HD HIS 20 1.732 14.860 -2.293 123 HE1 HIS 20 1HE HIS 20 -2.485 15.439 -2.177 124 H THR 21 H THR 21 2.791 14.247 -4.159 125 HA THR 21 HA THR 21 5.305 12.772 -4.111 126 HB THR 21 HB THR 21 4.874 15.082 -6.055 127 HG1 THR 21 1HG THR 21 4.141 13.823 -7.466 128 HG21 THR 21 3HG2 THR 21 6.889 14.209 -7.149 129 HG22 THR 21 1HG2 THR 21 7.035 12.916 -5.963 130 HG23 THR 21 2HG2 THR 21 7.227 14.604 -5.462 131 H GLU 22 H GLU 22 6.494 13.762 -2.429 132 HA GLU 22 HA GLU 22 6.044 16.661 -1.900 133 HB2 GLU 22 1HB GLU 22 5.312 14.978 -0.041 134 HB3 GLU 22 2HB GLU 22 7.016 14.628 0.140 135 HG2 GLU 22 1HG GLU 22 6.630 16.204 1.803 136 HG3 GLU 22 2HG GLU 22 7.272 17.215 0.512 137 H TYR 23 H TYR 23 8.021 17.828 -1.662 138 HA TYR 23 HA TYR 23 10.546 16.361 -2.294 139 HB2 TYR 23 1HB TYR 23 9.580 19.058 -3.293 140 HB3 TYR 23 2HB TYR 23 11.194 18.411 -3.513 141 HD1 TYR 23 1HD TYR 23 11.656 16.558 -5.001 142 HD2 TYR 23 2HD TYR 23 7.685 18.180 -4.634 143 HE1 TYR 23 1HE TYR 23 11.049 15.506 -7.149 144 HE2 TYR 23 2HE TYR 23 7.042 17.127 -6.797 145 HH TYR 23 HH TYR 23 8.969 16.240 -9.072 146 HA PRO 24 HA PRO 24 10.660 18.741 1.745 147 HB2 PRO 24 1HB PRO 24 11.711 16.716 3.304 148 HB3 PRO 24 2HB PRO 24 9.958 16.998 3.061 149 HG2 PRO 24 1HG PRO 24 11.760 15.050 1.630 150 HG3 PRO 24 2HG PRO 24 10.138 14.748 2.321 151 HD2 PRO 24 1HD PRO 24 10.554 15.238 -0.321 152 HD3 PRO 24 2HD PRO 24 9.115 15.857 0.532 153 H ASP 25 H ASP 25 12.817 18.913 3.224 154 HA ASP 25 HA ASP 25 15.229 18.371 1.945 155 HB2 ASP 25 1HB ASP 25 14.179 20.453 0.573 156 HB3 ASP 25 2HB ASP 25 14.859 21.362 1.929 157 H ASP 26 H ASP 26 16.897 20.088 3.190 158 HA ASP 26 HA ASP 26 17.881 20.590 5.133 159 HB2 ASP 26 1HB ASP 26 16.432 22.499 4.680 160 HB3 ASP 26 2HB ASP 26 15.158 21.802 5.686 161 H SER 27 H SER 27 14.715 19.954 6.543 162 HA SER 27 HA SER 27 15.242 17.344 7.309 163 HB2 SER 27 1HB SER 27 16.398 18.076 9.273 164 HB3 SER 27 2HB SER 27 15.268 19.409 9.540 165 HG SER 27 HG SER 27 14.633 16.625 9.808 166 H SER 28 H SER 28 13.230 16.786 6.332 167 HA SER 28 HA SER 28 10.884 17.649 7.817 168 HB2 SER 28 1HB SER 28 11.054 18.164 4.840 169 HB3 SER 28 2HB SER 28 9.567 18.199 5.813 170 HG SER 28 HG SER 28 11.643 19.639 6.863 171 H ALA 29 H ALA 29 10.827 15.568 8.544 172 HA ALA 29 HA ALA 29 9.511 13.651 6.712 173 HB1 ALA 29 1HB ALA 29 11.624 12.918 8.798 174 HB2 ALA 29 2HB ALA 29 10.683 11.778 7.819 175 HB3 ALA 29 3HB ALA 29 11.835 12.862 7.037 176 H GLY 30 H GLY 30 8.144 11.955 8.254 177 HA2 GLY 30 1HA GLY 30 7.960 11.839 10.821 178 HA3 GLY 30 2HA GLY 30 7.064 13.362 10.552 179 H SER 31 H SER 31 5.176 12.279 11.256 180 HA SER 31 HA SER 31 4.004 10.232 9.462 181 HB2 SER 31 1HB SER 31 2.916 9.470 11.642 182 HB3 SER 31 2HB SER 31 4.658 9.191 11.495 183 HG SER 31 HG SER 31 4.119 10.000 13.492 184 H PHE 32 H PHE 32 2.600 11.196 8.260 185 HA PHE 32 HA PHE 32 0.559 12.957 9.582 186 HB2 PHE 32 1HB PHE 32 0.457 14.389 7.589 187 HB3 PHE 32 2HB PHE 32 1.983 14.423 8.421 188 HD1 PHE 32 1HD PHE 32 0.289 12.981 5.363 189 HD2 PHE 32 2HD PHE 32 4.003 14.035 7.284 190 HE1 PHE 32 1HE PHE 32 1.505 12.615 3.243 191 HE2 PHE 32 2HE PHE 32 5.157 13.881 5.095 192 HZ PHE 32 HZ PHE 32 3.914 13.137 3.086 193 H ILE 33 H ILE 33 -1.226 13.409 7.568 194 HA ILE 33 HA ILE 33 -2.162 10.802 6.575 195 HB ILE 33 HB ILE 33 -3.893 12.796 8.096 196 HG12 ILE 33 1HG1 ILE 33 -2.752 10.117 8.968 197 HG13 ILE 33 2HG1 ILE 33 -2.475 11.691 9.702 198 HG21 ILE 33 1HG2 ILE 33 -4.497 10.176 6.697 199 HG22 ILE 33 2HG2 ILE 33 -5.576 10.880 7.907 200 HG23 ILE 33 3HG2 ILE 33 -5.243 11.777 6.440 201 HD11 ILE 33 3HD1 ILE 33 -4.899 11.769 10.362 202 HD12 ILE 33 1HD1 ILE 33 -5.017 10.062 9.848 203 HD13 ILE 33 2HD1 ILE 33 -3.922 10.510 11.146 204 H LEU 34 H LEU 34 -3.806 11.211 4.744 205 HA LEU 34 HA LEU 34 -3.638 13.881 3.496 206 HB2 LEU 34 1HB LEU 34 -3.023 11.241 2.142 207 HB3 LEU 34 2HB LEU 34 -3.223 12.788 1.309 208 HG LEU 34 HG LEU 34 -1.010 12.291 3.336 209 HD11 LEU 34 1HD1 LEU 34 0.452 11.861 1.395 210 HD12 LEU 34 2HD1 LEU 34 -0.936 11.965 0.309 211 HD13 LEU 34 3HD1 LEU 34 -0.846 10.655 1.505 212 HD21 LEU 34 3HD2 LEU 34 0.039 14.221 2.250 213 HD22 LEU 34 1HD2 LEU 34 -1.576 14.675 2.789 214 HD23 LEU 34 2HD2 LEU 34 -1.292 14.323 1.072 215 H ASP 35 H ASP 35 -5.275 14.113 1.784 216 HA ASP 35 HA ASP 35 -7.839 12.884 2.394 217 HB2 ASP 35 1HB ASP 35 -6.890 15.019 0.450 218 HB3 ASP 35 2HB ASP 35 -8.521 14.377 0.396 219 H ILE 36 H ILE 36 -7.639 10.621 1.707 220 HA ILE 36 HA ILE 36 -7.453 10.246 -1.246 221 HB ILE 36 HB ILE 36 -7.177 8.221 0.994 222 HG12 ILE 36 1HG1 ILE 36 -4.989 7.774 -0.252 223 HG13 ILE 36 2HG1 ILE 36 -5.263 9.269 -1.146 224 HG21 ILE 36 1HG2 ILE 36 -6.781 6.533 -0.759 225 HG22 ILE 36 2HG2 ILE 36 -8.419 7.147 -0.820 226 HG23 ILE 36 3HG2 ILE 36 -7.213 7.718 -2.005 227 HD11 ILE 36 3HD1 ILE 36 -3.691 9.407 0.835 228 HD12 ILE 36 1HD1 ILE 36 -4.996 10.570 0.886 229 HD13 ILE 36 2HD1 ILE 36 -5.077 9.100 1.895 230 H THR 37 H THR 37 -9.149 9.104 -2.284 231 HA THR 37 HA THR 37 -11.765 9.092 -0.890 232 HB THR 37 HB THR 37 -11.580 9.260 -3.891 233 HG1 THR 37 1HG THR 37 -10.286 10.981 -3.203 234 HG21 THR 37 3HG2 THR 37 -13.733 10.319 -3.635 235 HG22 THR 37 1HG2 THR 37 -13.466 10.593 -1.901 236 HG23 THR 37 2HG2 THR 37 -13.705 8.948 -2.508 237 H SER 38 H SER 38 -12.412 7.024 -0.578 238 HA SER 38 HA SER 38 -11.433 4.782 -2.256 239 HB2 SER 38 1HB SER 38 -10.526 3.899 0.072 240 HB3 SER 38 2HB SER 38 -9.560 4.956 -0.952 241 HG SER 38 HG SER 38 -10.951 5.661 1.409 242 H TYR 39 H TYR 39 -13.840 4.799 -2.636 243 HA TYR 39 HA TYR 39 -15.080 2.910 -0.900 244 HB2 TYR 39 1HB TYR 39 -16.922 4.196 -0.053 245 HB3 TYR 39 2HB TYR 39 -15.484 5.076 0.375 246 HD1 TYR 39 1HD TYR 39 -14.845 7.142 -1.078 247 HD2 TYR 39 2HD TYR 39 -18.690 5.216 -1.207 248 HE1 TYR 39 1HE TYR 39 -15.842 9.211 -2.016 249 HE2 TYR 39 2HE TYR 39 -19.686 7.297 -2.128 250 HH TYR 39 HH TYR 39 -18.632 10.186 -1.953 251 H LYS 40 H LYS 40 -17.521 2.576 -1.687 252 HA LYS 40 HA LYS 40 -17.887 3.340 -4.527 253 HB2 LYS 40 1HB LYS 40 -18.850 1.213 -5.021 254 HB3 LYS 40 2HB LYS 40 -17.161 1.137 -4.528 255 HG2 LYS 40 1HG LYS 40 -17.934 -0.717 -3.536 256 HG3 LYS 40 2HG LYS 40 -18.063 0.407 -2.198 257 HD2 LYS 40 1HD LYS 40 -20.460 0.575 -2.476 258 HD3 LYS 40 2HD LYS 40 -20.399 -0.244 -4.061 259 HE2 LYS 40 1HE LYS 40 -19.658 -2.302 -3.137 260 HE3 LYS 40 2HE LYS 40 -19.367 -1.604 -1.549 261 HZ1 LYS 40 3HZ LYS 40 -21.922 -2.185 -2.841 262 HZ2 LYS 40 1HZ LYS 40 -21.840 -1.219 -1.484 263 HZ3 LYS 40 2HZ LYS 40 -21.326 -2.808 -1.442 264 H LYS 41 H LYS 41 -20.070 3.620 -5.085 265 HA LYS 41 HA LYS 41 -21.913 4.290 -2.825 266 HB2 LYS 41 1HB LYS 41 -20.509 6.142 -3.770 267 HB3 LYS 41 2HB LYS 41 -21.330 5.958 -5.327 268 HG2 LYS 41 1HG LYS 41 -23.431 6.689 -4.369 269 HG3 LYS 41 2HG LYS 41 -22.802 6.510 -2.733 270 HD2 LYS 41 1HD LYS 41 -20.990 8.316 -3.643 271 HD3 LYS 41 2HD LYS 41 -22.320 8.750 -4.695 272 HE2 LYS 41 1HE LYS 41 -22.750 8.372 -1.703 273 HE3 LYS 41 2HE LYS 41 -22.005 9.860 -2.295 274 HZ1 LYS 41 3HZ LYS 41 -24.587 8.987 -3.412 275 HZ2 LYS 41 1HZ LYS 41 -23.898 10.480 -3.365 276 HZ3 LYS 41 2HZ LYS 41 -24.499 9.829 -1.998 277 H THR 42 H THR 42 -24.015 3.731 -3.106 278 HA THR 42 HA THR 42 -25.385 3.302 -5.516 279 HB THR 42 HB THR 42 -24.018 1.476 -6.055 280 HG1 THR 42 1HG THR 42 -25.456 -0.387 -5.492 281 HG21 THR 42 3HG2 THR 42 -22.773 1.066 -3.978 282 HG22 THR 42 1HG2 THR 42 -23.479 -0.415 -4.589 283 HG23 THR 42 2HG2 THR 42 -24.257 0.411 -3.223 284 H GLY 43 H GLY 43 -27.551 2.954 -5.060 285 HA2 GLY 43 1HA GLY 43 -29.443 2.421 -4.047 286 HA3 GLY 43 2HA GLY 43 -28.499 1.371 -2.980 287 H ASN 44 H ASN 44 -27.690 2.238 -1.030 288 HA ASN 44 HA ASN 44 -28.301 4.859 -0.054 289 HB2 ASN 44 1HB ASN 44 -30.595 3.809 0.124 290 HB3 ASN 44 2HB ASN 44 -29.902 2.610 1.226 291 HD21 ASN 44 1HD2 ASN 44 -31.715 3.598 2.683 292 HD22 ASN 44 2HD2 ASN 44 -31.272 5.036 3.566 293 H SER 45 H SER 45 -25.972 3.072 -0.383 294 HA SER 45 HA SER 45 -25.006 3.264 2.370 295 HB2 SER 45 1HB SER 45 -24.525 0.681 0.873 296 HB3 SER 45 2HB SER 45 -24.189 1.028 2.563 297 HG SER 45 HG SER 45 -26.371 0.932 3.008 298 H THR 46 H THR 46 -22.640 3.385 2.433 299 HA THR 46 HA THR 46 -21.302 3.565 -0.192 300 HB THR 46 HB THR 46 -20.083 5.567 1.038 301 HG1 THR 46 1HG THR 46 -21.354 6.631 2.439 302 HG21 THR 46 3HG2 THR 46 -22.733 5.857 -0.428 303 HG22 THR 46 1HG2 THR 46 -21.142 5.611 -1.189 304 HG23 THR 46 2HG2 THR 46 -21.474 7.097 -0.295 305 H LYS 47 H LYS 47 -20.449 1.656 0.178 306 HA LYS 47 HA LYS 47 -19.085 0.869 2.622 307 HB2 LYS 47 1HB LYS 47 -20.225 -0.652 0.817 308 HB3 LYS 47 2HB LYS 47 -18.762 -0.378 -0.125 309 HG2 LYS 47 1HG LYS 47 -18.387 -2.424 0.921 310 HG3 LYS 47 2HG LYS 47 -17.431 -1.284 1.843 311 HD2 LYS 47 1HD LYS 47 -18.483 -2.745 3.412 312 HD3 LYS 47 2HD LYS 47 -19.346 -1.203 3.546 313 HE2 LYS 47 1HE LYS 47 -21.107 -2.114 2.003 314 HE3 LYS 47 2HE LYS 47 -20.221 -3.648 1.941 315 HZ1 LYS 47 3HZ LYS 47 -20.588 -3.740 4.416 316 HZ2 LYS 47 1HZ LYS 47 -21.952 -3.850 3.489 317 HZ3 LYS 47 2HZ LYS 47 -21.618 -2.455 4.251 318 H ALA 48 H ALA 48 -17.093 1.642 3.186 319 HA ALA 48 HA ALA 48 -15.262 2.907 1.288 320 HB1 ALA 48 1HB ALA 48 -14.859 1.959 4.151 321 HB2 ALA 48 2HB ALA 48 -13.668 2.862 3.199 322 HB3 ALA 48 3HB ALA 48 -15.209 3.627 3.616 323 H LEU 49 H LEU 49 -13.161 2.002 0.666 324 HA LEU 49 HA LEU 49 -12.904 -0.948 0.897 325 HB2 LEU 49 1HB LEU 49 -12.236 0.934 -1.418 326 HB3 LEU 49 2HB LEU 49 -11.618 -0.687 -1.255 327 HG LEU 49 HG LEU 49 -13.253 -0.924 -2.757 328 HD11 LEU 49 1HD1 LEU 49 -15.004 -2.324 -1.822 329 HD12 LEU 49 2HD1 LEU 49 -14.769 -1.638 -0.220 330 HD13 LEU 49 3HD1 LEU 49 -13.485 -2.626 -0.949 331 HD21 LEU 49 3HD2 LEU 49 -14.320 1.254 -2.575 332 HD22 LEU 49 1HD2 LEU 49 -15.257 0.667 -1.169 333 HD23 LEU 49 2HD2 LEU 49 -15.494 -0.059 -2.764 334 H SER 50 H SER 50 -11.086 -1.557 1.833 335 HA SER 50 HA SER 50 -9.069 0.389 2.648 336 HB2 SER 50 1HB SER 50 -10.034 -1.641 3.985 337 HB3 SER 50 2HB SER 50 -8.890 -2.609 3.036 338 HG SER 50 HG SER 50 -8.162 -1.742 5.121 339 H TRP 51 H TRP 51 -6.732 -0.747 2.482 340 HA TRP 51 HA TRP 51 -6.037 -1.731 -0.165 341 HB2 TRP 51 1HB TRP 51 -4.510 0.188 -0.642 342 HB3 TRP 51 2HB TRP 51 -6.169 0.664 -0.664 343 HD1 TRP 51 HD TRP 51 -2.934 1.399 1.111 344 HE1 TRP 51 1HE TRP 51 -3.186 3.508 2.514 345 HE3 TRP 51 3HE TRP 51 -8.046 1.858 0.951 346 HZ2 TRP 51 2HZ TRP 51 -5.340 5.261 3.373 347 HZ3 TRP 51 3HZ TRP 51 -9.153 3.776 2.035 348 HH2 TRP 51 HH TRP 51 -7.815 5.497 3.233 349 H ASN 52 H ASN 52 -3.288 -1.175 0.000 350 HA ASN 52 HA ASN 52 -2.336 -2.071 2.584 351 HB2 ASN 52 1HB ASN 52 -2.781 -4.093 0.776 352 HB3 ASN 52 2HB ASN 52 -1.187 -3.574 0.256 353 HD21 ASN 52 1HD2 ASN 52 -2.885 -5.534 2.430 354 HD22 ASN 52 2HD2 ASN 52 -1.587 -5.753 3.605 355 H ALA 53 H ALA 53 0.312 -2.220 2.074 356 HA ALA 53 HA ALA 53 1.095 -0.367 -0.039 357 HB1 ALA 53 1HB ALA 53 2.640 0.871 1.444 358 HB2 ALA 53 2HB ALA 53 0.951 1.169 1.884 359 HB3 ALA 53 3HB ALA 53 1.958 0.055 2.856 360 H SER 54 H SER 54 3.274 -0.809 -0.681 361 HA SER 54 HA SER 54 5.092 -2.282 0.912 362 HB2 SER 54 1HB SER 54 5.316 -4.124 -1.025 363 HB3 SER 54 2HB SER 54 4.392 -4.372 0.448 364 HG SER 54 HG SER 54 3.571 -4.231 -2.149 365 H GLY 55 H GLY 55 7.155 -2.205 0.119 366 HA2 GLY 55 1HA GLY 55 8.170 -2.066 -2.291 367 HA3 GLY 55 2HA GLY 55 7.707 -0.365 -2.115 368 H ASP 56 H ASP 56 8.950 0.971 -0.795 369 HA ASP 56 HA ASP 56 11.481 0.100 0.321 370 HB2 ASP 56 1HB ASP 56 9.807 2.636 0.428 371 HB3 ASP 56 2HB ASP 56 11.272 2.454 1.382 372 H SER 57 H SER 57 12.003 -0.056 2.586 373 HA SER 57 HA SER 57 9.784 -0.916 4.281 374 HB2 SER 57 1HB SER 57 12.803 -0.969 4.562 375 HB3 SER 57 2HB SER 57 11.710 -1.423 5.883 376 HG SER 57 HG SER 57 10.837 -2.992 4.705 377 H TRP 58 H TRP 58 11.969 1.900 4.155 378 HA TRP 58 HA TRP 58 11.475 2.807 6.830 379 HB2 TRP 58 1HB TRP 58 12.712 4.826 6.007 380 HB3 TRP 58 2HB TRP 58 13.544 3.308 5.774 381 HD1 TRP 58 HD TRP 58 13.730 2.370 3.253 382 HE1 TRP 58 1HE TRP 58 13.505 3.464 0.947 383 HE3 TRP 58 3HE TRP 58 11.689 6.872 4.609 384 HZ2 TRP 58 2HZ TRP 58 13.126 6.065 -0.075 385 HZ3 TRP 58 3HZ TRP 58 11.379 8.644 2.924 386 HH2 TRP 58 HH TRP 58 12.064 8.270 0.553 387 H ILE 59 H ILE 59 9.023 2.422 5.135 388 HA ILE 59 HA ILE 59 7.756 5.056 5.449 389 HB ILE 59 HB ILE 59 7.401 3.247 3.014 390 HG12 ILE 59 1HG1 ILE 59 8.854 5.926 3.236 391 HG13 ILE 59 2HG1 ILE 59 9.589 4.372 2.870 392 HG21 ILE 59 1HG2 ILE 59 5.384 4.583 3.822 393 HG22 ILE 59 2HG2 ILE 59 6.305 6.055 3.502 394 HG23 ILE 59 3HG2 ILE 59 5.894 4.927 2.184 395 HD11 ILE 59 3HD1 ILE 59 8.334 4.244 0.754 396 HD12 ILE 59 1HD1 ILE 59 7.633 5.839 1.070 397 HD13 ILE 59 2HD1 ILE 59 9.385 5.669 0.858 398 H HIS 60 H HIS 60 5.834 4.740 6.497 399 HA HIS 60 HA HIS 60 5.057 1.973 7.293 400 HB2 HIS 60 1HB HIS 60 4.551 4.675 8.594 401 HB3 HIS 60 2HB HIS 60 3.836 3.173 9.135 402 HD1 HIS 60 1HD HIS 60 4.943 2.521 11.329 403 HD2 HIS 60 2HD HIS 60 7.609 4.186 8.500 404 HE1 HIS 60 1HE HIS 60 7.282 2.415 12.358 405 H VAL 61 H VAL 61 2.639 1.770 7.594 406 HA VAL 61 HA VAL 61 0.964 3.764 6.306 407 HB VAL 61 HB VAL 61 1.423 2.121 4.546 408 HG11 VAL 61 1HG1 VAL 61 2.001 0.125 5.803 409 HG12 VAL 61 2HG1 VAL 61 0.348 -0.010 6.438 410 HG13 VAL 61 3HG1 VAL 61 0.656 -0.234 4.711 411 HG21 VAL 61 3HG2 VAL 61 -1.404 1.689 5.551 412 HG22 VAL 61 1HG2 VAL 61 -0.826 3.168 4.755 413 HG23 VAL 61 2HG2 VAL 61 -0.816 1.626 3.882 414 H ASN 62 H ASN 62 -1.103 3.778 7.385 415 HA ASN 62 HA ASN 62 -1.841 1.534 9.073 416 HB2 ASN 62 1HB ASN 62 -0.623 3.857 10.289 417 HB3 ASN 62 2HB ASN 62 -2.331 3.940 10.661 418 HD21 ASN 62 1HD2 ASN 62 0.121 1.289 10.331 419 HD22 ASN 62 2HD2 ASN 62 -0.274 0.595 11.901 420 H GLY 63 H GLY 63 -3.102 1.503 7.007 421 HA2 GLY 63 1HA GLY 63 -4.888 2.000 5.678 422 HA3 GLY 63 2HA GLY 63 -5.709 2.490 7.171 423 H SER 64 H SER 64 -6.382 4.577 7.178 424 HA SER 64 HA SER 64 -5.476 6.590 5.321 425 HB2 SER 64 1HB SER 64 -7.188 7.912 6.734 426 HB3 SER 64 2HB SER 64 -7.766 6.541 5.784 427 HG SER 64 HG SER 64 -8.634 6.421 7.820 428 H SER 65 H SER 65 -3.178 5.825 6.639 429 HA SER 65 HA SER 65 -2.383 8.364 7.785 430 HB2 SER 65 1HB SER 65 -1.890 5.770 9.305 431 HB3 SER 65 2HB SER 65 -1.225 7.348 9.713 432 HG SER 65 HG SER 65 -2.939 7.055 11.008 433 H VAL 66 H VAL 66 -0.077 8.710 7.431 434 HA VAL 66 HA VAL 66 1.419 6.609 6.041 435 HB VAL 66 HB VAL 66 0.136 7.642 4.286 436 HG11 VAL 66 1HG1 VAL 66 0.203 10.042 3.739 437 HG12 VAL 66 2HG1 VAL 66 -0.543 9.769 5.319 438 HG13 VAL 66 3HG1 VAL 66 1.120 10.359 5.221 439 HG21 VAL 66 3HG2 VAL 66 1.875 8.525 2.833 440 HG22 VAL 66 1HG2 VAL 66 2.941 8.821 4.208 441 HG23 VAL 66 2HG2 VAL 66 2.497 7.150 3.783 442 H SER 67 H SER 67 3.610 6.689 6.534 443 HA SER 67 HA SER 67 4.672 9.180 7.670 444 HB2 SER 67 1HB SER 67 5.064 6.585 9.174 445 HB3 SER 67 2HB SER 67 5.365 8.226 9.709 446 HG SER 67 HG SER 67 3.243 6.779 10.163 447 H TYR 68 H TYR 68 7.001 9.229 7.552 448 HA TYR 68 HA TYR 68 8.411 6.891 6.579 449 HB2 TYR 68 1HB TYR 68 9.426 8.186 4.658 450 HB3 TYR 68 2HB TYR 68 7.798 7.605 4.439 451 HD1 TYR 68 2HD TYR 68 9.776 10.726 5.126 452 HD2 TYR 68 1HD TYR 68 5.992 9.034 3.927 453 HE1 TYR 68 2HE TYR 68 9.079 12.926 4.226 454 HE2 TYR 68 1HE TYR 68 5.308 11.173 2.977 455 HH TYR 68 HH TYR 68 7.297 14.148 3.241 456 H ASP 69 H ASP 69 10.620 7.075 6.851 457 HA ASP 69 HA ASP 69 11.629 9.243 8.617 458 HB2 ASP 69 1HB ASP 69 12.505 6.460 7.766 459 HB3 ASP 69 2HB ASP 69 13.755 7.607 8.192 460 H GLU 70 H GLU 70 13.979 9.893 7.898 461 HA GLU 70 HA GLU 70 14.192 10.390 4.948 462 HB2 GLU 70 1HB GLU 70 15.291 11.666 7.439 463 HB3 GLU 70 2HB GLU 70 16.379 11.597 6.052 464 HG2 GLU 70 1HG GLU 70 14.986 12.913 4.682 465 HG3 GLU 70 2HG GLU 70 13.578 12.680 5.706 466 H ASN 71 H ASN 71 16.597 10.072 4.330 467 HA ASN 71 HA ASN 71 17.344 7.299 4.680 468 HB2 ASN 71 1HB ASN 71 19.300 7.968 3.236 469 HB3 ASN 71 2HB ASN 71 17.723 8.431 2.600 470 HD21 ASN 71 1HD2 ASN 71 18.264 10.179 1.392 471 HD22 ASN 71 2HD2 ASN 71 18.791 11.643 2.113 472 HA PRO 72 HA PRO 72 20.536 7.848 7.846 473 HB2 PRO 72 1HB PRO 72 21.915 5.559 7.611 474 HB3 PRO 72 2HB PRO 72 20.146 5.513 7.906 475 HG2 PRO 72 1HG PRO 72 21.564 5.285 5.222 476 HG3 PRO 72 2HG PRO 72 20.367 4.159 5.927 477 HD2 PRO 72 1HD PRO 72 19.645 6.141 4.223 478 HD3 PRO 72 2HD PRO 72 18.591 5.605 5.563 479 H ALA 73 H ALA 73 21.264 8.270 4.550 480 HA ALA 73 HA ALA 73 24.134 8.827 5.036 481 HB1 ALA 73 1HB ALA 73 23.908 6.558 4.014 482 HB2 ALA 73 2HB ALA 73 22.987 7.287 2.673 483 HB3 ALA 73 3HB ALA 73 24.693 7.720 2.916 484 H LYS 74 H LYS 74 24.978 10.365 3.345 485 HA LYS 74 HA LYS 74 22.810 12.238 2.881 486 HB2 LYS 74 1HB LYS 74 24.486 14.015 2.862 487 HB3 LYS 74 2HB LYS 74 24.287 13.113 4.347 488 HG2 LYS 74 1HG LYS 74 26.566 13.387 4.202 489 HG3 LYS 74 2HG LYS 74 26.285 11.712 3.724 490 HD2 LYS 74 1HD LYS 74 26.782 12.131 1.458 491 HD3 LYS 74 2HD LYS 74 26.402 13.860 1.608 492 HE2 LYS 74 1HE LYS 74 28.393 14.195 3.024 493 HE3 LYS 74 2HE LYS 74 28.831 12.486 2.813 494 HZ1 LYS 74 3HZ LYS 74 28.480 14.399 0.591 495 HZ2 LYS 74 1HZ LYS 74 29.073 12.843 0.499 496 HZ3 LYS 74 2HZ LYS 74 29.946 14.015 1.245 497 H GLU 75 H GLU 75 22.701 10.276 1.175 498 HA GLU 75 HA GLU 75 23.649 11.339 -1.404 499 HB2 GLU 75 1HB GLU 75 22.331 8.674 -0.701 500 HB3 GLU 75 2HB GLU 75 22.573 9.247 -2.359 501 HG2 GLU 75 1HG GLU 75 25.058 9.509 -1.761 502 HG3 GLU 75 2HG GLU 75 24.698 8.544 -0.323 503 H ARG 76 H ARG 76 21.754 11.342 -3.104 504 HA ARG 76 HA ARG 76 19.232 12.286 -1.822 505 HB2 ARG 76 1HB ARG 76 20.684 13.031 -4.247 506 HB3 ARG 76 2HB ARG 76 19.147 12.328 -4.677 507 HG2 ARG 76 1HG ARG 76 18.146 13.964 -2.870 508 HG3 ARG 76 2HG ARG 76 19.686 14.784 -3.016 509 HD2 ARG 76 1HD ARG 76 19.205 14.758 -5.591 510 HD3 ARG 76 2HD ARG 76 17.549 14.295 -5.144 511 HE ARG 76 HE ARG 76 17.429 16.356 -3.777 512 HH11 ARG 76 1HH1 ARG 76 19.864 16.495 -6.402 513 HH12 ARG 76 2HH1 ARG 76 20.672 17.829 -5.636 514 HH21 ARG 76 1HH2 ARG 76 18.205 18.264 -3.147 515 HH22 ARG 76 2HH2 ARG 76 19.440 19.125 -4.014 516 H ARG 77 H ARG 77 17.405 10.987 -2.003 517 HA ARG 77 HA ARG 77 17.232 8.947 -4.062 518 HB2 ARG 77 1HB ARG 77 16.677 7.112 -2.371 519 HB3 ARG 77 2HB ARG 77 18.375 7.544 -2.548 520 HG2 ARG 77 1HG ARG 77 18.231 8.939 -0.476 521 HG3 ARG 77 2HG ARG 77 16.557 8.417 -0.252 522 HD2 ARG 77 1HD ARG 77 18.862 6.438 -0.534 523 HD3 ARG 77 2HD ARG 77 18.534 7.238 0.980 524 HE ARG 77 HE ARG 77 16.394 6.268 1.155 525 HH11 ARG 77 1HH1 ARG 77 18.403 4.762 -1.377 526 HH12 ARG 77 2HH1 ARG 77 17.679 3.189 -1.214 527 HH21 ARG 77 1HH2 ARG 77 15.562 4.152 1.464 528 HH22 ARG 77 2HH2 ARG 77 16.034 2.840 0.439 529 H THR 78 H THR 78 15.023 8.000 -4.155 530 HA THR 78 HA THR 78 13.131 9.347 -2.365 531 HB THR 78 HB THR 78 12.719 10.263 -4.545 532 HG1 THR 78 1HG THR 78 10.669 8.370 -3.994 533 HG21 THR 78 3HG2 THR 78 12.212 7.430 -5.532 534 HG22 THR 78 1HG2 THR 78 13.445 8.581 -6.111 535 HG23 THR 78 2HG2 THR 78 11.745 8.922 -6.377 536 H GLY 79 H GLY 79 11.321 7.982 -1.816 537 HA2 GLY 79 1HA GLY 79 11.797 5.058 -2.033 538 HA3 GLY 79 2HA GLY 79 10.678 5.842 -0.911 539 H LEU 80 H LEU 80 9.840 3.849 -2.715 540 HA LEU 80 HA LEU 80 7.603 5.307 -3.885 541 HB2 LEU 80 1HB LEU 80 9.498 5.174 -5.697 542 HB3 LEU 80 2HB LEU 80 9.178 3.441 -5.688 543 HG LEU 80 HG LEU 80 6.711 4.056 -6.172 544 HD11 LEU 80 1HD1 LEU 80 6.860 6.488 -5.596 545 HD12 LEU 80 2HD1 LEU 80 6.350 6.248 -7.270 546 HD13 LEU 80 3HD1 LEU 80 8.029 6.708 -6.906 547 HD21 LEU 80 3HD2 LEU 80 8.122 3.095 -7.847 548 HD22 LEU 80 1HD2 LEU 80 8.917 4.647 -8.170 549 HD23 LEU 80 2HD2 LEU 80 7.186 4.398 -8.594 550 H VAL 81 H VAL 81 6.178 4.142 -2.612 551 HA VAL 81 HA VAL 81 6.391 1.186 -2.636 552 HB VAL 81 HB VAL 81 4.468 1.259 -1.014 553 HG11 VAL 81 1HG1 VAL 81 6.957 2.792 -0.181 554 HG12 VAL 81 2HG1 VAL 81 5.802 2.012 0.915 555 HG13 VAL 81 3HG1 VAL 81 6.764 1.030 -0.195 556 HG21 VAL 81 3HG2 VAL 81 3.822 3.235 0.096 557 HG22 VAL 81 1HG2 VAL 81 4.986 4.243 -0.811 558 HG23 VAL 81 2HG2 VAL 81 3.577 3.507 -1.631 559 H THR 82 H THR 82 3.656 0.463 -2.754 560 HA THR 82 HA THR 82 2.285 2.205 -4.629 561 HB THR 82 HB THR 82 2.827 -0.730 -5.277 562 HG1 THR 82 1HG THR 82 4.241 1.171 -5.886 563 HG21 THR 82 3HG2 THR 82 0.959 1.229 -6.688 564 HG22 THR 82 1HG2 THR 82 0.465 -0.250 -5.822 565 HG23 THR 82 2HG2 THR 82 1.427 -0.377 -7.296 566 H LEU 83 H LEU 83 -0.016 2.023 -4.233 567 HA LEU 83 HA LEU 83 -0.811 0.004 -2.207 568 HB2 LEU 83 1HB LEU 83 -2.639 1.585 -1.513 569 HB3 LEU 83 2HB LEU 83 -1.077 1.855 -0.814 570 HG LEU 83 HG LEU 83 -1.870 3.466 -3.217 571 HD11 LEU 83 1HD1 LEU 83 -2.915 5.132 -1.648 572 HD12 LEU 83 2HD1 LEU 83 -2.745 3.972 -0.326 573 HD13 LEU 83 3HD1 LEU 83 -3.818 3.615 -1.697 574 HD21 LEU 83 3HD2 LEU 83 -0.520 5.190 -2.025 575 HD22 LEU 83 1HD2 LEU 83 0.425 3.731 -2.328 576 HD23 LEU 83 2HD2 LEU 83 -0.218 4.035 -0.704 577 H LYS 84 H LYS 84 -2.483 -1.144 -2.783 578 HA LYS 84 HA LYS 84 -4.086 -0.370 -5.186 579 HB2 LYS 84 1HB LYS 84 -2.430 -2.252 -5.503 580 HB3 LYS 84 2HB LYS 84 -3.277 -3.169 -4.261 581 HG2 LYS 84 1HG LYS 84 -5.114 -2.113 -6.300 582 HG3 LYS 84 2HG LYS 84 -3.834 -3.082 -7.031 583 HD2 LYS 84 1HD LYS 84 -4.408 -5.014 -5.712 584 HD3 LYS 84 2HD LYS 84 -5.545 -4.083 -4.711 585 HE2 LYS 84 1HE LYS 84 -7.036 -3.704 -6.543 586 HE3 LYS 84 2HE LYS 84 -5.850 -4.313 -7.719 587 HZ1 LYS 84 3HZ LYS 84 -7.599 -5.915 -7.212 588 HZ2 LYS 84 1HZ LYS 84 -7.168 -5.934 -5.652 589 HZ3 LYS 84 2HZ LYS 84 -6.113 -6.514 -6.766 590 H GLN 85 H GLN 85 -6.071 0.109 -4.671 591 HA GLN 85 HA GLN 85 -7.353 -0.463 -2.209 592 HB2 GLN 85 1HB GLN 85 -7.827 1.345 -4.056 593 HB3 GLN 85 2HB GLN 85 -8.725 0.087 -4.860 594 HG2 GLN 85 1HG GLN 85 -10.387 0.005 -3.177 595 HG3 GLN 85 2HG GLN 85 -9.318 0.710 -1.957 596 HE21 GLN 85 1HE2 GLN 85 -11.563 1.496 -4.592 597 HE22 GLN 85 2HE2 GLN 85 -11.475 3.233 -4.346 598 H ASP 86 H ASP 86 -8.870 -1.955 -1.692 599 HA ASP 86 HA ASP 86 -8.668 -4.579 -2.281 600 HB2 ASP 86 1HB ASP 86 -9.773 -3.635 -0.333 601 HB3 ASP 86 2HB ASP 86 -11.072 -3.004 -1.310 602 H GLU 87 H GLU 87 -11.897 -3.322 -3.091 603 HA GLU 87 HA GLU 87 -12.169 -5.339 -5.152 604 HB2 GLU 87 1HB GLU 87 -13.947 -3.006 -4.350 605 HB3 GLU 87 2HB GLU 87 -14.436 -4.365 -5.378 606 HG2 GLU 87 1HG GLU 87 -13.962 -5.900 -3.446 607 HG3 GLU 87 2HG GLU 87 -13.672 -4.479 -2.435 608 H SER 88 H SER 88 -11.024 -2.186 -5.134 609 HA SER 88 HA SER 88 -11.465 -1.686 -8.011 610 HB2 SER 88 1HB SER 88 -10.107 0.365 -6.319 611 HB3 SER 88 2HB SER 88 -11.217 0.525 -7.682 612 HG SER 88 HG SER 88 -12.744 -0.501 -6.079 613 H GLY 89 H GLY 89 -8.880 -0.076 -8.006 614 HA2 GLY 89 1HA GLY 89 -6.683 -1.711 -7.590 615 HA3 GLY 89 2HA GLY 89 -7.354 -2.248 -9.127 616 H LYS 90 H LYS 90 -8.005 1.127 -8.897 617 HA LYS 90 HA LYS 90 -5.774 1.766 -10.624 618 HB2 LYS 90 1HB LYS 90 -8.293 3.029 -9.806 619 HB3 LYS 90 2HB LYS 90 -6.941 4.130 -9.611 620 HG2 LYS 90 1HG LYS 90 -6.809 2.707 -12.196 621 HG3 LYS 90 2HG LYS 90 -8.320 3.553 -11.968 622 HD2 LYS 90 1HD LYS 90 -6.608 4.969 -13.093 623 HD3 LYS 90 2HD LYS 90 -7.218 5.654 -11.605 624 HE2 LYS 90 1HE LYS 90 -4.881 6.078 -11.663 625 HE3 LYS 90 2HE LYS 90 -5.131 4.850 -10.422 626 HZ1 LYS 90 3HZ LYS 90 -3.248 4.390 -11.811 627 HZ2 LYS 90 1HZ LYS 90 -4.143 4.387 -13.177 628 HZ3 LYS 90 2HZ LYS 90 -4.332 3.199 -12.038 629 H THR 91 H THR 91 -3.840 1.695 -9.656 630 HA THR 91 HA THR 91 -3.622 1.769 -6.803 631 HB THR 91 HB THR 91 -1.138 1.680 -7.333 632 HG1 THR 91 1HG THR 91 -0.700 1.148 -9.532 633 HG21 THR 91 3HG2 THR 91 -2.927 -0.406 -8.670 634 HG22 THR 91 1HG2 THR 91 -2.560 -0.314 -6.933 635 HG23 THR 91 2HG2 THR 91 -1.262 -0.649 -8.077 636 H LEU 92 H LEU 92 -2.500 3.218 -5.470 637 HA LEU 92 HA LEU 92 -2.062 5.952 -6.551 638 HB2 LEU 92 1HB LEU 92 -3.240 4.945 -4.046 639 HB3 LEU 92 2HB LEU 92 -1.972 6.135 -3.790 640 HG LEU 92 HG LEU 92 -3.150 7.767 -5.158 641 HD11 LEU 92 1HD1 LEU 92 -5.281 5.626 -5.555 642 HD12 LEU 92 2HD1 LEU 92 -4.301 6.377 -6.821 643 HD13 LEU 92 3HD1 LEU 92 -5.490 7.343 -5.928 644 HD21 LEU 92 3HD2 LEU 92 -4.942 6.379 -3.114 645 HD22 LEU 92 1HD2 LEU 92 -5.079 8.080 -3.622 646 HD23 LEU 92 2HD2 LEU 92 -3.649 7.521 -2.733 647 H SER 93 H SER 93 -0.186 7.039 -5.218 648 HA SER 93 HA SER 93 2.130 5.266 -5.002 649 HB2 SER 93 1HB SER 93 1.643 5.781 -7.472 650 HB3 SER 93 2HB SER 93 1.949 7.475 -7.100 651 HG SER 93 HG SER 93 3.955 7.058 -7.370 652 H LEU 94 H LEU 94 3.876 6.391 -3.950 653 HA LEU 94 HA LEU 94 3.342 8.985 -2.627 654 HB2 LEU 94 1HB LEU 94 2.448 7.336 -1.114 655 HB3 LEU 94 2HB LEU 94 3.761 6.215 -1.433 656 HG LEU 94 HG LEU 94 5.358 7.680 -0.242 657 HD11 LEU 94 1HD1 LEU 94 4.371 9.872 -0.580 658 HD12 LEU 94 2HD1 LEU 94 4.494 9.574 1.149 659 HD13 LEU 94 3HD1 LEU 94 2.920 9.427 0.328 660 HD21 LEU 94 3HD2 LEU 94 2.855 6.969 1.327 661 HD22 LEU 94 1HD2 LEU 94 4.471 7.265 2.013 662 HD23 LEU 94 2HD2 LEU 94 4.197 5.887 0.942 663 H LYS 95 H LYS 95 5.109 10.096 -3.256 664 HA LYS 95 HA LYS 95 7.704 8.626 -3.544 665 HB2 LYS 95 1HB LYS 95 6.362 9.078 -5.647 666 HB3 LYS 95 2HB LYS 95 6.649 10.802 -5.391 667 HG2 LYS 95 1HG LYS 95 9.082 10.438 -5.552 668 HG3 LYS 95 2HG LYS 95 8.836 8.675 -5.577 669 HD2 LYS 95 1HD LYS 95 7.459 8.977 -7.683 670 HD3 LYS 95 2HD LYS 95 7.987 10.678 -7.686 671 HE2 LYS 95 1HE LYS 95 10.276 10.068 -7.978 672 HE3 LYS 95 2HE LYS 95 9.970 8.377 -7.547 673 HZ1 LYS 95 3HZ LYS 95 10.294 8.804 -9.913 674 HZ2 LYS 95 1HZ LYS 95 8.836 9.599 -9.988 675 HZ3 LYS 95 2HZ LYS 95 8.930 7.998 -9.592 676 H ILE 96 H ILE 96 9.438 9.619 -2.607 677 HA ILE 96 HA ILE 96 8.986 12.196 -1.181 678 HB ILE 96 HB ILE 96 10.000 9.621 0.056 679 HG12 ILE 96 1HG1 ILE 96 7.395 10.768 1.016 680 HG13 ILE 96 2HG1 ILE 96 7.334 9.830 -0.456 681 HG21 ILE 96 1HG2 ILE 96 10.861 11.765 1.057 682 HG22 ILE 96 2HG2 ILE 96 9.197 12.258 1.371 683 HG23 ILE 96 3HG2 ILE 96 9.888 10.824 2.175 684 HD11 ILE 96 3HD1 ILE 96 8.390 7.930 0.545 685 HD12 ILE 96 1HD1 ILE 96 8.612 8.786 2.079 686 HD13 ILE 96 2HD1 ILE 96 6.970 8.403 1.506 687 H VAL 97 H VAL 97 10.414 12.953 -2.913 688 HA VAL 97 HA VAL 97 13.153 11.998 -3.123 689 HB VAL 97 HB VAL 97 11.611 14.410 -4.191 690 HG11 VAL 97 1HG1 VAL 97 14.088 14.789 -4.160 691 HG12 VAL 97 2HG1 VAL 97 14.287 13.340 -5.159 692 HG13 VAL 97 3HG1 VAL 97 13.399 14.749 -5.791 693 HG21 VAL 97 3HG2 VAL 97 10.987 11.982 -5.049 694 HG22 VAL 97 1HG2 VAL 97 11.165 13.320 -6.154 695 HG23 VAL 97 2HG2 VAL 97 12.497 12.129 -5.961 696 H GLN 98 H GLN 98 14.202 12.237 -1.131 697 HA GLN 98 HA GLN 98 14.292 14.972 -0.026 698 HB2 GLN 98 1HB GLN 98 15.211 13.622 2.106 699 HB3 GLN 98 2HB GLN 98 13.612 14.195 1.886 700 HG2 GLN 98 1HG GLN 98 13.255 12.137 2.731 701 HG3 GLN 98 2HG GLN 98 13.038 11.828 1.029 702 HE21 GLN 98 1HE2 GLN 98 13.764 9.890 0.571 703 HE22 GLN 98 2HE2 GLN 98 15.053 9.019 1.423 704 HA PRO 99 HA PRO 99 18.831 14.747 -0.494 705 HB2 PRO 99 1HB PRO 99 19.600 16.592 1.315 706 HB3 PRO 99 2HB PRO 99 18.640 17.124 -0.105 707 HG2 PRO 99 1HG PRO 99 17.612 16.432 2.677 708 HG3 PRO 99 2HG PRO 99 17.363 17.943 1.761 709 HD2 PRO 99 1HD PRO 99 15.563 15.887 1.716 710 HD3 PRO 99 2HD PRO 99 15.853 16.882 0.268 711 H GLY 100 H GLY 100 20.647 14.754 1.619 712 HA2 GLY 100 1HA GLY 100 19.402 12.934 3.509 713 HA3 GLY 100 2HA GLY 100 20.759 12.283 2.578 714 H LYS 101 H LYS 101 20.894 12.148 5.187 715 HA LYS 101 HA LYS 101 22.857 14.214 5.954 716 HB2 LYS 101 1HB LYS 101 21.840 14.876 7.906 717 HB3 LYS 101 2HB LYS 101 20.566 14.941 6.700 718 HG2 LYS 101 1HG LYS 101 20.928 12.821 8.853 719 HG3 LYS 101 2HG LYS 101 19.789 14.155 8.828 720 HD2 LYS 101 1HD LYS 101 18.715 13.132 6.770 721 HD3 LYS 101 2HD LYS 101 19.752 11.715 7.029 722 HE2 LYS 101 1HE LYS 101 17.587 11.306 8.033 723 HE3 LYS 101 2HE LYS 101 18.800 11.448 9.315 724 HZ1 LYS 101 3HZ LYS 101 16.983 13.614 8.471 725 HZ2 LYS 101 1HZ LYS 101 18.025 13.691 9.756 726 HZ3 LYS 101 2HZ LYS 101 16.713 12.685 9.761 727 H THR 102 H THR 102 23.783 13.706 8.175 728 HA THR 102 HA THR 102 24.261 10.923 8.845 729 HB THR 102 HB THR 102 26.792 11.452 8.378 730 HG1 THR 102 1HG THR 102 25.606 13.496 7.125 731 HG21 THR 102 3HG2 THR 102 25.477 9.627 7.208 732 HG22 THR 102 1HG2 THR 102 26.813 10.326 6.262 733 HG23 THR 102 2HG2 THR 102 25.150 10.796 5.907 734 H SER 103 H SER 103 23.601 11.741 10.963 735 HA SER 103 HA SER 103 25.761 13.160 12.340 736 HB2 SER 103 1HB SER 103 24.232 14.801 13.322 737 HB3 SER 103 2HB SER 103 24.201 14.927 11.562 738 HG SER 103 HG SER 103 22.135 14.973 12.529 739 H ILE 104 H ILE 104 24.345 13.464 14.767 740 HA ILE 104 HA ILE 104 23.818 10.652 15.573 741 HB ILE 104 HB ILE 104 24.660 11.156 17.740 742 HG12 ILE 104 1HG1 ILE 104 25.271 13.997 16.793 743 HG13 ILE 104 2HG1 ILE 104 23.970 13.551 17.899 744 HG21 ILE 104 1HG2 ILE 104 26.248 10.573 15.799 745 HG22 ILE 104 2HG2 ILE 104 26.748 12.269 15.815 746 HG23 ILE 104 3HG2 ILE 104 26.990 11.247 17.249 747 HD11 ILE 104 3HD1 ILE 104 25.811 14.404 19.185 748 HD12 ILE 104 1HD1 ILE 104 25.650 12.665 19.512 749 HD13 ILE 104 2HD1 ILE 104 26.944 13.265 18.441 750 H ASP 105 H ASP 105 22.095 13.080 14.516 751 HA ASP 105 HA ASP 105 20.194 13.676 16.672 752 HB2 ASP 105 1HB ASP 105 20.473 15.327 14.946 753 HB3 ASP 105 2HB ASP 105 20.249 14.119 13.676 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -40.637 -2.952 -12.331 2 HA2 GLY 1 1HA GLY 1 -38.659 -3.063 -13.791 3 HA3 GLY 1 2HA GLY 1 -38.955 -1.350 -14.198 4 H HIS 2 H HIS 2 -36.699 -2.969 -12.531 5 HA HIS 2 HA HIS 2 -36.838 -1.352 -10.062 6 HB2 HIS 2 1HB HIS 2 -36.467 -4.379 -10.148 7 HB3 HIS 2 2HB HIS 2 -36.581 -3.347 -8.721 8 HD1 HIS 2 1HD HIS 2 -39.150 -2.241 -8.314 9 HD2 HIS 2 2HD HIS 2 -38.689 -5.080 -11.394 10 HE1 HIS 2 1HE HIS 2 -41.484 -2.703 -9.224 11 H MET 3 H MET 3 -35.027 -0.156 -10.482 12 HA MET 3 HA MET 3 -32.442 -1.300 -10.607 13 HB2 MET 3 1HB MET 3 -31.795 -0.496 -12.820 14 HB3 MET 3 2HB MET 3 -33.128 -1.627 -13.002 15 HG2 MET 3 1HG MET 3 -34.690 0.397 -13.112 16 HG3 MET 3 2HG MET 3 -33.239 1.404 -13.179 17 HE1 MET 3 3HE MET 3 -34.316 1.795 -16.839 18 HE2 MET 3 1HE MET 3 -35.274 1.893 -15.344 19 HE3 MET 3 2HE MET 3 -33.636 2.588 -15.402 20 H GLY 4 H GLY 4 -30.975 0.870 -11.214 21 HA2 GLY 4 1HA GLY 4 -32.325 3.364 -10.626 22 HA3 GLY 4 2HA GLY 4 -31.126 2.904 -9.395 23 H SER 5 H SER 5 -28.891 2.823 -9.979 24 HA SER 5 HA SER 5 -28.059 3.435 -12.717 25 HB2 SER 5 1HB SER 5 -26.769 5.429 -11.786 26 HB3 SER 5 2HB SER 5 -28.526 5.642 -11.879 27 HG SER 5 HG SER 5 -27.748 6.361 -9.938 28 HA PRO 6 HA PRO 6 -24.691 1.014 -11.230 29 HB2 PRO 6 1HB PRO 6 -22.434 1.996 -12.437 30 HB3 PRO 6 2HB PRO 6 -23.725 1.121 -13.319 31 HG2 PRO 6 1HG PRO 6 -23.357 4.124 -13.060 32 HG3 PRO 6 2HG PRO 6 -23.642 3.169 -14.552 33 HD2 PRO 6 1HD PRO 6 -25.674 4.411 -13.263 34 HD3 PRO 6 2HD PRO 6 -25.914 2.796 -13.986 35 H VAL 7 H VAL 7 -22.652 1.010 -10.007 36 HA VAL 7 HA VAL 7 -22.684 2.983 -7.892 37 HB VAL 7 HB VAL 7 -22.435 0.605 -7.484 38 HG11 VAL 7 1HG1 VAL 7 -19.638 0.722 -8.670 39 HG12 VAL 7 2HG1 VAL 7 -20.480 -0.685 -7.994 40 HG13 VAL 7 3HG1 VAL 7 -21.009 0.027 -9.519 41 HG21 VAL 7 3HG2 VAL 7 -21.521 2.202 -5.854 42 HG22 VAL 7 1HG2 VAL 7 -20.641 0.669 -5.897 43 HG23 VAL 7 2HG2 VAL 7 -19.950 2.125 -6.649 44 H SER 8 H SER 8 -21.165 4.585 -7.440 45 HA SER 8 HA SER 8 -19.103 5.144 -9.503 46 HB2 SER 8 1HB SER 8 -20.398 6.835 -7.332 47 HB3 SER 8 2HB SER 8 -18.780 7.216 -7.950 48 HG SER 8 HG SER 8 -21.229 7.182 -9.417 49 H TYR 9 H TYR 9 -17.074 4.464 -9.051 50 HA TYR 9 HA TYR 9 -16.335 3.740 -6.258 51 HB2 TYR 9 1HB TYR 9 -15.581 2.656 -8.956 52 HB3 TYR 9 2HB TYR 9 -14.316 2.789 -7.755 53 HD1 TYR 9 2HD TYR 9 -17.941 1.787 -7.463 54 HD2 TYR 9 1HD TYR 9 -13.833 0.715 -6.880 55 HE1 TYR 9 2HE TYR 9 -18.650 -0.324 -6.339 56 HE2 TYR 9 1HE TYR 9 -14.528 -1.256 -5.511 57 HH TYR 9 HH TYR 9 -16.888 -2.822 -5.690 58 H TYR 10 H TYR 10 -14.363 4.450 -5.468 59 HA TYR 10 HA TYR 10 -13.119 6.848 -6.683 60 HB2 TYR 10 1HB TYR 10 -13.985 6.408 -3.786 61 HB3 TYR 10 2HB TYR 10 -13.046 7.757 -4.399 62 HD1 TYR 10 2HD TYR 10 -14.045 9.485 -5.814 63 HD2 TYR 10 1HD TYR 10 -16.473 6.240 -4.275 64 HE1 TYR 10 2HE TYR 10 -16.098 10.758 -6.330 65 HE2 TYR 10 1HE TYR 10 -18.481 7.459 -4.901 66 HH TYR 10 HH TYR 10 -18.375 10.871 -5.928 67 H PHE 11 H PHE 11 -11.098 6.254 -7.102 68 HA PHE 11 HA PHE 11 -9.508 4.682 -5.214 69 HB2 PHE 11 1HB PHE 11 -8.713 3.346 -7.283 70 HB3 PHE 11 2HB PHE 11 -10.159 2.871 -6.437 71 HD1 PHE 11 2HD PHE 11 -9.385 5.205 -9.354 72 HD2 PHE 11 1HD PHE 11 -11.852 2.050 -7.745 73 HE1 PHE 11 2HE PHE 11 -10.634 5.096 -11.470 74 HE2 PHE 11 1HE PHE 11 -13.074 1.920 -9.902 75 HZ PHE 11 HZ PHE 11 -12.478 3.445 -11.769 76 H SER 12 H SER 12 -9.349 7.338 -5.353 77 HA SER 12 HA SER 12 -6.893 8.027 -6.658 78 HB2 SER 12 1HB SER 12 -8.202 9.932 -7.878 79 HB3 SER 12 2HB SER 12 -8.101 8.339 -8.627 80 HG SER 12 HG SER 12 -10.272 9.698 -7.660 81 H TYR 13 H TYR 13 -6.358 10.283 -5.999 82 HA TYR 13 HA TYR 13 -7.064 10.688 -3.196 83 HB2 TYR 13 1HB TYR 13 -5.284 12.203 -5.149 84 HB3 TYR 13 2HB TYR 13 -5.473 12.653 -3.467 85 HD1 TYR 13 2HD TYR 13 -4.139 10.029 -5.729 86 HD2 TYR 13 1HD TYR 13 -4.324 11.511 -1.686 87 HE1 TYR 13 2HE TYR 13 -2.211 8.580 -5.094 88 HE2 TYR 13 1HE TYR 13 -2.369 10.131 -1.085 89 HH TYR 13 HH TYR 13 -1.023 8.043 -1.933 90 H ALA 14 H ALA 14 -7.560 12.955 -2.498 91 HA ALA 14 HA ALA 14 -9.903 13.978 -3.895 92 HB1 ALA 14 1HB ALA 14 -8.364 15.032 -1.475 93 HB2 ALA 14 2HB ALA 14 -9.937 15.614 -2.016 94 HB3 ALA 14 3HB ALA 14 -9.781 13.951 -1.411 95 H ASP 15 H ASP 15 -6.550 15.004 -3.519 96 HA ASP 15 HA ASP 15 -6.981 17.167 -5.509 97 HB2 ASP 15 1HB ASP 15 -7.181 17.841 -2.945 98 HB3 ASP 15 2HB ASP 15 -5.423 17.798 -3.003 99 H GLY 16 H GLY 16 -6.008 14.857 -6.195 100 HA2 GLY 16 1HA GLY 16 -3.158 15.284 -6.698 101 HA3 GLY 16 2HA GLY 16 -3.422 14.023 -5.496 102 H GLY 17 H GLY 17 -6.060 13.632 -7.637 103 HA2 GLY 17 1HA GLY 17 -6.342 12.269 -9.492 104 HA3 GLY 17 2HA GLY 17 -4.639 12.504 -9.886 105 H THR 18 H THR 18 -3.373 10.698 -9.661 106 HA THR 18 HA THR 18 -4.322 8.508 -7.845 107 HB THR 18 HB THR 18 -3.248 6.965 -9.522 108 HG1 THR 18 1HG THR 18 -2.028 8.183 -10.743 109 HG21 THR 18 3HG2 THR 18 -5.613 8.635 -10.477 110 HG22 THR 18 1HG2 THR 18 -5.678 7.244 -9.370 111 HG23 THR 18 2HG2 THR 18 -5.156 7.021 -11.056 112 H SER 19 H SER 19 -2.048 10.846 -7.678 113 HA SER 19 HA SER 19 -0.248 8.961 -6.352 114 HB2 SER 19 1HB SER 19 0.617 9.535 -8.700 115 HB3 SER 19 2HB SER 19 0.740 11.213 -8.170 116 HG SER 19 HG SER 19 2.225 10.398 -6.501 117 H HIS 20 H HIS 20 0.918 10.048 -4.606 118 HA HIS 20 HA HIS 20 0.437 12.985 -4.372 119 HB2 HIS 20 1HB HIS 20 0.214 11.158 -2.294 120 HB3 HIS 20 2HB HIS 20 1.894 11.679 -2.150 121 HD1 HIS 20 1HD HIS 20 2.213 14.421 -1.568 122 HD2 HIS 20 2HD HIS 20 -1.715 12.964 -2.142 123 HE1 HIS 20 1HE HIS 20 0.649 16.289 -0.908 124 H THR 21 H THR 21 2.502 14.216 -3.898 125 HA THR 21 HA THR 21 4.868 12.616 -3.846 126 HB THR 21 HB THR 21 4.703 14.945 -5.817 127 HG1 THR 21 1HG THR 21 3.994 12.511 -6.111 128 HG21 THR 21 3HG2 THR 21 6.962 14.886 -4.903 129 HG22 THR 21 1HG2 THR 21 6.991 14.212 -6.531 130 HG23 THR 21 2HG2 THR 21 7.064 13.133 -5.132 131 H GLU 22 H GLU 22 6.656 13.915 -2.763 132 HA GLU 22 HA GLU 22 5.881 16.579 -1.866 133 HB2 GLU 22 1HB GLU 22 5.066 15.077 -0.127 134 HB3 GLU 22 2HB GLU 22 6.673 14.402 0.109 135 HG2 GLU 22 1HG GLU 22 7.344 16.142 1.417 136 HG3 GLU 22 2HG GLU 22 6.697 17.340 0.282 137 H TYR 23 H TYR 23 7.677 17.826 -1.321 138 HA TYR 23 HA TYR 23 10.400 16.822 -1.894 139 HB2 TYR 23 1HB TYR 23 9.198 19.402 -2.982 140 HB3 TYR 23 2HB TYR 23 10.864 18.879 -3.143 141 HD1 TYR 23 1HD TYR 23 7.353 18.257 -4.196 142 HD2 TYR 23 2HD TYR 23 11.493 17.280 -4.840 143 HE1 TYR 23 1HE TYR 23 6.751 17.182 -6.322 144 HE2 TYR 23 2HE TYR 23 10.921 16.237 -7.018 145 HH TYR 23 HH TYR 23 9.233 16.052 -8.606 146 HA PRO 24 HA PRO 24 9.947 19.312 2.018 147 HB2 PRO 24 1HB PRO 24 11.207 17.649 3.762 148 HB3 PRO 24 2HB PRO 24 9.515 17.345 3.240 149 HG2 PRO 24 1HG PRO 24 12.058 16.115 2.124 150 HG3 PRO 24 2HG PRO 24 10.601 15.291 2.677 151 HD2 PRO 24 1HD PRO 24 11.050 15.910 0.040 152 HD3 PRO 24 2HD PRO 24 9.406 15.904 0.729 153 H ASP 25 H ASP 25 11.943 19.934 3.533 154 HA ASP 25 HA ASP 25 14.527 19.518 2.386 155 HB2 ASP 25 1HB ASP 25 15.140 21.668 1.850 156 HB3 ASP 25 2HB ASP 25 13.594 21.475 1.057 157 H ASP 26 H ASP 26 16.193 20.471 3.828 158 HA ASP 26 HA ASP 26 17.228 20.236 5.664 159 HB2 ASP 26 1HB ASP 26 14.924 21.665 6.986 160 HB3 ASP 26 2HB ASP 26 16.569 21.417 7.592 161 H SER 27 H SER 27 14.048 19.874 7.257 162 HA SER 27 HA SER 27 14.113 17.071 6.946 163 HB2 SER 27 1HB SER 27 15.642 17.388 8.948 164 HB3 SER 27 2HB SER 27 14.211 17.910 9.855 165 HG SER 27 HG SER 27 14.436 15.455 8.384 166 H SER 28 H SER 28 12.116 17.126 6.042 167 HA SER 28 HA SER 28 9.993 17.356 8.059 168 HB2 SER 28 1HB SER 28 9.840 18.613 5.339 169 HB3 SER 28 2HB SER 28 8.403 17.815 6.028 170 HG SER 28 HG SER 28 8.130 19.507 7.143 171 H ALA 29 H ALA 29 10.294 15.348 8.508 172 HA ALA 29 HA ALA 29 8.900 13.470 6.795 173 HB1 ALA 29 1HB ALA 29 11.546 12.876 8.208 174 HB2 ALA 29 2HB ALA 29 10.459 11.632 7.555 175 HB3 ALA 29 3HB ALA 29 11.246 12.802 6.464 176 H GLY 30 H GLY 30 7.452 12.158 8.157 177 HA2 GLY 30 1HA GLY 30 7.888 11.615 10.843 178 HA3 GLY 30 2HA GLY 30 6.912 13.108 10.754 179 H SER 31 H SER 31 4.977 12.362 11.286 180 HA SER 31 HA SER 31 3.723 10.101 9.785 181 HB2 SER 31 1HB SER 31 2.677 9.444 11.943 182 HB3 SER 31 2HB SER 31 4.440 9.295 11.930 183 HG SER 31 HG SER 31 4.417 11.469 12.976 184 H PHE 32 H PHE 32 2.057 10.795 8.626 185 HA PHE 32 HA PHE 32 0.097 12.699 9.764 186 HB2 PHE 32 1HB PHE 32 0.204 14.181 7.820 187 HB3 PHE 32 2HB PHE 32 1.731 14.138 8.668 188 HD1 PHE 32 1HD PHE 32 3.658 12.733 7.752 189 HD2 PHE 32 2HD PHE 32 0.104 13.628 5.425 190 HE1 PHE 32 1HE PHE 32 4.850 12.159 5.689 191 HE2 PHE 32 2HE PHE 32 1.374 13.157 3.377 192 HZ PHE 32 HZ PHE 32 3.714 12.395 3.472 193 H ILE 33 H ILE 33 -1.546 13.135 7.642 194 HA ILE 33 HA ILE 33 -2.402 10.469 6.656 195 HB ILE 33 HB ILE 33 -4.072 12.649 7.995 196 HG12 ILE 33 1HG1 ILE 33 -3.240 9.880 8.965 197 HG13 ILE 33 2HG1 ILE 33 -2.747 11.424 9.643 198 HG21 ILE 33 1HG2 ILE 33 -5.310 11.498 6.179 199 HG22 ILE 33 2HG2 ILE 33 -4.961 9.932 6.954 200 HG23 ILE 33 3HG2 ILE 33 -5.982 11.142 7.756 201 HD11 ILE 33 3HD1 ILE 33 -5.105 11.893 10.281 202 HD12 ILE 33 1HD1 ILE 33 -5.518 10.225 9.788 203 HD13 ILE 33 2HD1 ILE 33 -4.356 10.513 11.098 204 H LEU 34 H LEU 34 -2.887 10.522 4.511 205 HA LEU 34 HA LEU 34 -2.930 13.084 3.013 206 HB2 LEU 34 1HB LEU 34 -2.929 10.147 2.169 207 HB3 LEU 34 2HB LEU 34 -2.929 11.492 1.041 208 HG LEU 34 HG LEU 34 -0.730 11.092 3.116 209 HD11 LEU 34 1HD1 LEU 34 -0.592 10.292 0.190 210 HD12 LEU 34 2HD1 LEU 34 -0.806 9.148 1.539 211 HD13 LEU 34 3HD1 LEU 34 0.670 10.126 1.411 212 HD21 LEU 34 3HD2 LEU 34 -1.068 12.861 0.687 213 HD22 LEU 34 1HD2 LEU 34 0.513 12.553 1.411 214 HD23 LEU 34 2HD2 LEU 34 -0.754 13.341 2.373 215 H ASP 35 H ASP 35 -4.683 13.300 1.327 216 HA ASP 35 HA ASP 35 -7.315 12.330 2.362 217 HB2 ASP 35 1HB ASP 35 -6.536 14.747 0.750 218 HB3 ASP 35 2HB ASP 35 -8.151 14.033 0.595 219 H ILE 36 H ILE 36 -6.821 10.273 1.705 220 HA ILE 36 HA ILE 36 -6.728 9.585 -1.178 221 HB ILE 36 HB ILE 36 -6.299 8.128 1.457 222 HG12 ILE 36 1HG1 ILE 36 -4.666 8.433 -1.101 223 HG13 ILE 36 2HG1 ILE 36 -4.514 9.486 0.301 224 HG21 ILE 36 1HG2 ILE 36 -7.671 6.547 0.202 225 HG22 ILE 36 2HG2 ILE 36 -6.564 6.638 -1.176 226 HG23 ILE 36 3HG2 ILE 36 -6.017 5.982 0.371 227 HD11 ILE 36 3HD1 ILE 36 -2.730 7.997 0.394 228 HD12 ILE 36 1HD1 ILE 36 -3.864 7.485 1.667 229 HD13 ILE 36 2HD1 ILE 36 -3.769 6.575 0.125 230 H THR 37 H THR 37 -8.548 8.870 -2.225 231 HA THR 37 HA THR 37 -11.040 8.742 -0.576 232 HB THR 37 HB THR 37 -11.023 9.315 -3.530 233 HG1 THR 37 1HG THR 37 -10.570 11.123 -1.367 234 HG21 THR 37 3HG2 THR 37 -13.138 10.297 -3.103 235 HG22 THR 37 1HG2 THR 37 -12.870 10.272 -1.350 236 HG23 THR 37 2HG2 THR 37 -13.125 8.747 -2.230 237 H SER 38 H SER 38 -11.560 6.707 -0.171 238 HA SER 38 HA SER 38 -10.892 4.558 -2.148 239 HB2 SER 38 1HB SER 38 -9.090 4.906 -0.493 240 HB3 SER 38 2HB SER 38 -10.234 4.653 0.830 241 HG SER 38 HG SER 38 -10.353 2.549 0.348 242 H TYR 39 H TYR 39 -13.331 4.875 -2.520 243 HA TYR 39 HA TYR 39 -14.750 3.026 -0.824 244 HB2 TYR 39 1HB TYR 39 -16.472 4.508 0.050 245 HB3 TYR 39 2HB TYR 39 -14.917 5.079 0.574 246 HD1 TYR 39 1HD TYR 39 -17.831 5.790 -1.573 247 HD2 TYR 39 2HD TYR 39 -14.111 7.310 -0.017 248 HE1 TYR 39 1HE TYR 39 -18.447 8.064 -2.305 249 HE2 TYR 39 2HE TYR 39 -14.792 9.564 -0.564 250 HH TYR 39 HH TYR 39 -16.425 10.925 -1.786 251 H LYS 40 H LYS 40 -17.197 3.003 -1.485 252 HA LYS 40 HA LYS 40 -17.556 3.674 -4.350 253 HB2 LYS 40 1HB LYS 40 -18.868 1.673 -4.648 254 HB3 LYS 40 2HB LYS 40 -17.231 1.261 -4.142 255 HG2 LYS 40 1HG LYS 40 -17.945 0.146 -2.323 256 HG3 LYS 40 2HG LYS 40 -18.914 1.496 -1.785 257 HD2 LYS 40 1HD LYS 40 -20.660 0.140 -2.055 258 HD3 LYS 40 2HD LYS 40 -20.581 0.552 -3.748 259 HE2 LYS 40 1HE LYS 40 -19.070 -1.497 -4.056 260 HE3 LYS 40 2HE LYS 40 -19.259 -1.796 -2.325 261 HZ1 LYS 40 3HZ LYS 40 -21.802 -1.736 -3.077 262 HZ2 LYS 40 1HZ LYS 40 -20.886 -3.080 -2.970 263 HZ3 LYS 40 2HZ LYS 40 -21.069 -2.370 -4.444 264 H LYS 41 H LYS 41 -19.703 4.314 -4.867 265 HA LYS 41 HA LYS 41 -21.495 5.038 -2.581 266 HB2 LYS 41 1HB LYS 41 -19.871 6.774 -3.326 267 HB3 LYS 41 2HB LYS 41 -20.610 6.742 -4.939 268 HG2 LYS 41 1HG LYS 41 -22.785 7.459 -3.782 269 HG3 LYS 41 2HG LYS 41 -21.824 7.689 -2.317 270 HD2 LYS 41 1HD LYS 41 -20.298 9.230 -3.571 271 HD3 LYS 41 2HD LYS 41 -21.305 9.021 -5.020 272 HE2 LYS 41 1HE LYS 41 -23.256 9.908 -3.758 273 HE3 LYS 41 2HE LYS 41 -22.220 10.120 -2.334 274 HZ1 LYS 41 3HZ LYS 41 -21.859 11.539 -4.916 275 HZ2 LYS 41 1HZ LYS 41 -20.888 11.693 -3.589 276 HZ3 LYS 41 2HZ LYS 41 -22.416 12.181 -3.499 277 H THR 42 H THR 42 -23.614 4.660 -2.951 278 HA THR 42 HA THR 42 -25.014 4.742 -5.355 279 HB THR 42 HB THR 42 -23.679 2.885 -6.159 280 HG1 THR 42 1HG THR 42 -25.869 2.844 -6.719 281 HG21 THR 42 3HG2 THR 42 -22.878 1.853 -4.101 282 HG22 THR 42 1HG2 THR 42 -23.709 0.652 -5.101 283 HG23 THR 42 2HG2 THR 42 -24.528 1.356 -3.690 284 H GLY 43 H GLY 43 -27.212 3.867 -5.097 285 HA2 GLY 43 1HA GLY 43 -29.169 3.827 -3.937 286 HA3 GLY 43 2HA GLY 43 -28.318 2.886 -2.690 287 H ASN 44 H ASN 44 -27.736 3.879 -0.817 288 HA ASN 44 HA ASN 44 -27.588 6.792 -0.629 289 HB2 ASN 44 1HB ASN 44 -30.037 6.190 -0.151 290 HB3 ASN 44 2HB ASN 44 -29.449 5.219 1.202 291 HD21 ASN 44 1HD2 ASN 44 -30.133 6.476 2.897 292 HD22 ASN 44 2HD2 ASN 44 -29.705 8.172 2.911 293 H SER 45 H SER 45 -25.549 4.673 -0.439 294 HA SER 45 HA SER 45 -24.560 5.313 2.207 295 HB2 SER 45 1HB SER 45 -25.980 3.282 2.558 296 HB3 SER 45 2HB SER 45 -24.903 2.377 1.489 297 HG SER 45 HG SER 45 -24.743 2.706 4.041 298 H THR 46 H THR 46 -22.368 4.333 2.469 299 HA THR 46 HA THR 46 -20.873 4.242 -0.066 300 HB THR 46 HB THR 46 -19.214 5.813 1.244 301 HG1 THR 46 1HG THR 46 -20.943 5.858 3.056 302 HG21 THR 46 3HG2 THR 46 -20.185 7.753 0.129 303 HG22 THR 46 1HG2 THR 46 -21.722 6.892 -0.075 304 HG23 THR 46 2HG2 THR 46 -20.267 6.324 -0.918 305 H LYS 47 H LYS 47 -19.733 2.482 -0.054 306 HA LYS 47 HA LYS 47 -18.844 1.196 2.496 307 HB2 LYS 47 1HB LYS 47 -19.713 0.171 -0.048 308 HB3 LYS 47 2HB LYS 47 -18.025 -0.206 0.088 309 HG2 LYS 47 1HG LYS 47 -18.944 -1.034 2.572 310 HG3 LYS 47 2HG LYS 47 -20.382 -1.228 1.618 311 HD2 LYS 47 1HD LYS 47 -19.062 -3.280 1.737 312 HD3 LYS 47 2HD LYS 47 -19.217 -2.732 0.058 313 HE2 LYS 47 1HE LYS 47 -16.932 -1.822 0.128 314 HE3 LYS 47 2HE LYS 47 -16.787 -2.216 1.843 315 HZ1 LYS 47 3HZ LYS 47 -17.098 -4.201 -0.350 316 HZ2 LYS 47 1HZ LYS 47 -16.888 -4.547 1.243 317 HZ3 LYS 47 2HZ LYS 47 -15.695 -3.821 0.420 318 H ALA 48 H ALA 48 -16.910 2.059 3.232 319 HA ALA 48 HA ALA 48 -14.834 3.134 1.492 320 HB1 ALA 48 1HB ALA 48 -15.047 4.031 3.741 321 HB2 ALA 48 2HB ALA 48 -14.843 2.407 4.442 322 HB3 ALA 48 3HB ALA 48 -13.502 3.181 3.575 323 H LEU 49 H LEU 49 -13.627 1.830 0.261 324 HA LEU 49 HA LEU 49 -13.452 -1.070 0.717 325 HB2 LEU 49 1HB LEU 49 -12.004 0.783 -1.236 326 HB3 LEU 49 2HB LEU 49 -11.666 -0.911 -1.065 327 HG LEU 49 HG LEU 49 -12.920 -0.799 -2.969 328 HD11 LEU 49 1HD1 LEU 49 -14.979 -2.024 -2.551 329 HD12 LEU 49 2HD1 LEU 49 -14.962 -1.556 -0.849 330 HD13 LEU 49 3HD1 LEU 49 -13.690 -2.620 -1.484 331 HD21 LEU 49 3HD2 LEU 49 -14.950 0.380 -3.337 332 HD22 LEU 49 1HD2 LEU 49 -13.776 1.502 -2.604 333 HD23 LEU 49 2HD2 LEU 49 -15.093 0.815 -1.616 334 H SER 50 H SER 50 -11.882 -2.070 1.847 335 HA SER 50 HA SER 50 -9.832 -0.742 3.309 336 HB2 SER 50 1HB SER 50 -10.055 -3.677 2.538 337 HB3 SER 50 2HB SER 50 -9.344 -2.986 4.003 338 HG SER 50 HG SER 50 -11.364 -3.802 4.505 339 H TRP 51 H TRP 51 -7.482 -1.325 2.904 340 HA TRP 51 HA TRP 51 -6.737 -2.186 0.222 341 HB2 TRP 51 1HB TRP 51 -5.479 -0.274 -0.435 342 HB3 TRP 51 2HB TRP 51 -7.101 0.240 -0.105 343 HD1 TRP 51 HD TRP 51 -3.523 0.744 1.031 344 HE1 TRP 51 1HE TRP 51 -3.382 2.856 2.496 345 HE3 TRP 51 3HE TRP 51 -8.514 1.602 1.714 346 HZ2 TRP 51 2HZ TRP 51 -5.196 4.917 3.369 347 HZ3 TRP 51 3HZ TRP 51 -9.278 3.685 2.847 348 HH2 TRP 51 HH TRP 51 -7.616 5.357 3.624 349 H ASN 52 H ASN 52 -4.065 -1.755 0.191 350 HA ASN 52 HA ASN 52 -2.993 -1.361 2.725 351 HB2 ASN 52 1HB ASN 52 -3.274 -4.130 2.304 352 HB3 ASN 52 2HB ASN 52 -1.599 -3.819 1.873 353 HD21 ASN 52 1HD2 ASN 52 -4.033 -3.567 4.399 354 HD22 ASN 52 2HD2 ASN 52 -2.937 -3.569 5.751 355 H ALA 53 H ALA 53 -0.318 -1.905 2.307 356 HA ALA 53 HA ALA 53 0.411 -0.684 -0.297 357 HB1 ALA 53 1HB ALA 53 1.557 0.162 2.373 358 HB2 ALA 53 2HB ALA 53 1.894 0.848 0.772 359 HB3 ALA 53 3HB ALA 53 0.301 1.093 1.505 360 H SER 54 H SER 54 2.784 -1.053 -0.647 361 HA SER 54 HA SER 54 4.314 -2.504 1.227 362 HB2 SER 54 1HB SER 54 4.415 -4.027 -1.339 363 HB3 SER 54 2HB SER 54 4.627 -4.585 0.317 364 HG SER 54 HG SER 54 2.311 -4.222 0.521 365 H GLY 55 H GLY 55 6.609 -2.237 0.617 366 HA2 GLY 55 1HA GLY 55 7.710 -1.402 -1.736 367 HA3 GLY 55 2HA GLY 55 6.983 0.077 -1.097 368 H ASP 56 H ASP 56 8.802 1.198 -0.529 369 HA ASP 56 HA ASP 56 11.170 -0.040 0.302 370 HB2 ASP 56 1HB ASP 56 10.391 2.871 0.708 371 HB3 ASP 56 2HB ASP 56 12.018 2.197 0.649 372 H SER 57 H SER 57 12.228 -0.198 2.207 373 HA SER 57 HA SER 57 10.658 -0.948 4.414 374 HB2 SER 57 1HB SER 57 13.557 -0.838 3.694 375 HB3 SER 57 2HB SER 57 13.209 -0.964 5.416 376 HG SER 57 HG SER 57 12.030 -2.642 3.444 377 H TRP 58 H TRP 58 11.305 2.210 3.732 378 HA TRP 58 HA TRP 58 11.298 3.043 6.588 379 HB2 TRP 58 1HB TRP 58 12.406 5.129 5.770 380 HB3 TRP 58 2HB TRP 58 13.390 3.699 5.638 381 HD1 TRP 58 HD TRP 58 13.794 2.673 3.208 382 HE1 TRP 58 1HE TRP 58 13.842 3.709 0.896 383 HE3 TRP 58 3HE TRP 58 11.186 6.930 4.272 384 HZ2 TRP 58 2HZ TRP 58 12.879 6.146 -0.340 385 HZ3 TRP 58 3HZ TRP 58 10.753 8.616 2.525 386 HH2 TRP 58 HH TRP 58 11.560 8.255 0.203 387 H ILE 59 H ILE 59 9.137 2.462 4.319 388 HA ILE 59 HA ILE 59 7.621 4.947 4.918 389 HB ILE 59 HB ILE 59 7.518 3.291 2.370 390 HG12 ILE 59 1HG1 ILE 59 8.497 6.162 2.768 391 HG13 ILE 59 2HG1 ILE 59 9.559 4.768 2.599 392 HG21 ILE 59 1HG2 ILE 59 5.917 5.097 1.607 393 HG22 ILE 59 2HG2 ILE 59 5.299 4.198 2.984 394 HG23 ILE 59 3HG2 ILE 59 5.998 5.813 3.225 395 HD11 ILE 59 3HD1 ILE 59 8.669 4.317 0.343 396 HD12 ILE 59 1HD1 ILE 59 7.690 5.803 0.454 397 HD13 ILE 59 2HD1 ILE 59 9.454 5.891 0.521 398 H HIS 60 H HIS 60 5.744 4.601 5.877 399 HA HIS 60 HA HIS 60 4.915 1.819 6.518 400 HB2 HIS 60 1HB HIS 60 5.237 4.213 8.380 401 HB3 HIS 60 2HB HIS 60 4.702 2.594 8.831 402 HD1 HIS 60 1HD HIS 60 6.585 0.656 8.717 403 HD2 HIS 60 2HD HIS 60 7.861 4.622 8.079 404 HE1 HIS 60 1HE HIS 60 9.154 0.661 8.992 405 H VAL 61 H VAL 61 2.907 1.611 5.861 406 HA VAL 61 HA VAL 61 1.075 4.012 5.820 407 HB VAL 61 HB VAL 61 1.213 1.686 3.888 408 HG11 VAL 61 1HG1 VAL 61 -0.714 2.906 2.745 409 HG12 VAL 61 2HG1 VAL 61 -1.131 2.118 4.277 410 HG13 VAL 61 3HG1 VAL 61 -0.865 3.866 4.232 411 HG21 VAL 61 3HG2 VAL 61 2.844 3.482 3.411 412 HG22 VAL 61 1HG2 VAL 61 1.565 3.471 2.196 413 HG23 VAL 61 2HG2 VAL 61 1.544 4.694 3.484 414 H ASN 62 H ASN 62 0.093 3.764 7.839 415 HA ASN 62 HA ASN 62 -0.811 1.077 8.573 416 HB2 ASN 62 1HB ASN 62 0.605 2.576 10.082 417 HB3 ASN 62 2HB ASN 62 -0.825 3.609 10.264 418 HD21 ASN 62 1HD2 ASN 62 -2.922 2.355 10.812 419 HD22 ASN 62 2HD2 ASN 62 -2.736 0.870 11.697 420 H GLY 63 H GLY 63 -2.344 1.058 6.874 421 HA2 GLY 63 1HA GLY 63 -4.210 1.469 5.706 422 HA3 GLY 63 2HA GLY 63 -4.970 1.866 7.258 423 H SER 64 H SER 64 -5.581 3.972 7.584 424 HA SER 64 HA SER 64 -5.533 5.798 5.395 425 HB2 SER 64 1HB SER 64 -6.444 6.161 8.270 426 HB3 SER 64 2HB SER 64 -6.946 7.117 6.862 427 HG SER 64 HG SER 64 -8.427 5.378 7.457 428 H SER 65 H SER 65 -3.275 5.349 8.051 429 HA SER 65 HA SER 65 -2.291 8.135 7.935 430 HB2 SER 65 1HB SER 65 -1.647 5.647 9.550 431 HB3 SER 65 2HB SER 65 -0.597 7.065 9.548 432 HG SER 65 HG SER 65 -3.383 7.167 10.211 433 H VAL 66 H VAL 66 -0.029 8.520 7.485 434 HA VAL 66 HA VAL 66 1.481 6.393 6.140 435 HB VAL 66 HB VAL 66 0.605 7.676 4.301 436 HG11 VAL 66 1HG1 VAL 66 1.628 10.175 5.706 437 HG12 VAL 66 2HG1 VAL 66 1.030 10.110 4.046 438 HG13 VAL 66 3HG1 VAL 66 -0.063 9.751 5.403 439 HG21 VAL 66 3HG2 VAL 66 3.477 8.576 4.774 440 HG22 VAL 66 1HG2 VAL 66 2.983 6.981 4.148 441 HG23 VAL 66 2HG2 VAL 66 2.638 8.459 3.228 442 H SER 67 H SER 67 3.709 6.516 6.701 443 HA SER 67 HA SER 67 4.677 8.852 8.075 444 HB2 SER 67 1HB SER 67 4.992 6.173 9.486 445 HB3 SER 67 2HB SER 67 5.302 7.793 10.119 446 HG SER 67 HG SER 67 2.875 8.015 9.628 447 H TYR 68 H TYR 68 7.018 8.902 7.909 448 HA TYR 68 HA TYR 68 8.373 6.562 6.890 449 HB2 TYR 68 1HB TYR 68 9.247 7.971 4.881 450 HB3 TYR 68 2HB TYR 68 7.730 7.118 4.774 451 HD1 TYR 68 1HD TYR 68 8.649 10.525 6.144 452 HD2 TYR 68 2HD TYR 68 6.180 8.242 3.429 453 HE1 TYR 68 1HE TYR 68 7.790 12.593 5.180 454 HE2 TYR 68 2HE TYR 68 5.348 10.351 2.432 455 HH TYR 68 HH TYR 68 6.962 13.411 3.161 456 H ASP 69 H ASP 69 10.756 6.991 6.681 457 HA ASP 69 HA ASP 69 11.608 9.080 8.649 458 HB2 ASP 69 1HB ASP 69 12.629 6.212 8.408 459 HB3 ASP 69 2HB ASP 69 13.351 7.463 9.412 460 H GLU 70 H GLU 70 13.652 9.956 8.201 461 HA GLU 70 HA GLU 70 14.321 10.226 5.494 462 HB2 GLU 70 1HB GLU 70 15.123 11.400 8.028 463 HB3 GLU 70 2HB GLU 70 16.543 11.140 7.012 464 HG2 GLU 70 1HG GLU 70 15.554 12.392 5.188 465 HG3 GLU 70 2HG GLU 70 14.001 12.486 6.024 466 H ASN 71 H ASN 71 16.795 10.193 4.872 467 HA ASN 71 HA ASN 71 17.349 7.337 4.559 468 HB2 ASN 71 1HB ASN 71 19.093 8.213 2.907 469 HB3 ASN 71 2HB ASN 71 17.399 8.505 2.511 470 HD21 ASN 71 1HD2 ASN 71 18.247 10.320 0.987 471 HD22 ASN 71 2HD2 ASN 71 18.468 11.803 1.809 472 HA PRO 72 HA PRO 72 20.739 7.630 7.416 473 HB2 PRO 72 1HB PRO 72 22.186 5.404 6.818 474 HB3 PRO 72 2HB PRO 72 20.475 5.263 7.330 475 HG2 PRO 72 1HG PRO 72 21.557 5.325 4.475 476 HG3 PRO 72 2HG PRO 72 20.459 4.111 5.202 477 HD2 PRO 72 1HD PRO 72 19.502 6.200 3.778 478 HD3 PRO 72 2HD PRO 72 18.640 5.567 5.211 479 H ALA 73 H ALA 73 21.187 8.341 4.132 480 HA ALA 73 HA ALA 73 24.069 8.970 4.446 481 HB1 ALA 73 1HB ALA 73 22.739 7.743 1.990 482 HB2 ALA 73 2HB ALA 73 24.437 8.245 2.112 483 HB3 ALA 73 3HB ALA 73 23.842 6.888 3.089 484 H LYS 74 H LYS 74 24.741 10.708 3.031 485 HA LYS 74 HA LYS 74 22.677 12.743 2.871 486 HB2 LYS 74 1HB LYS 74 24.508 14.356 2.636 487 HB3 LYS 74 2HB LYS 74 24.472 13.430 4.121 488 HG2 LYS 74 1HG LYS 74 26.588 12.975 3.855 489 HG3 LYS 74 2HG LYS 74 26.162 11.885 2.539 490 HD2 LYS 74 1HD LYS 74 26.641 13.502 0.860 491 HD3 LYS 74 2HD LYS 74 26.655 14.822 2.033 492 HE2 LYS 74 1HE LYS 74 28.683 12.554 1.999 493 HE3 LYS 74 2HE LYS 74 28.923 14.132 1.225 494 HZ1 LYS 74 3HZ LYS 74 28.561 13.664 4.130 495 HZ2 LYS 74 1HZ LYS 74 28.607 15.147 3.421 496 HZ3 LYS 74 2HZ LYS 74 29.925 14.173 3.360 497 H GLU 75 H GLU 75 22.159 10.907 1.106 498 HA GLU 75 HA GLU 75 23.059 11.845 -1.558 499 HB2 GLU 75 1HB GLU 75 21.789 9.261 -0.554 500 HB3 GLU 75 2HB GLU 75 21.754 9.705 -2.253 501 HG2 GLU 75 1HG GLU 75 24.464 10.106 -1.493 502 HG3 GLU 75 2HG GLU 75 23.962 8.622 -0.679 503 H ARG 76 H ARG 76 21.156 11.776 -3.206 504 HA ARG 76 HA ARG 76 18.655 12.710 -1.887 505 HB2 ARG 76 1HB ARG 76 20.384 14.163 -3.674 506 HB3 ARG 76 2HB ARG 76 18.988 13.663 -4.618 507 HG2 ARG 76 1HG ARG 76 17.800 14.526 -2.284 508 HG3 ARG 76 2HG ARG 76 19.187 15.581 -2.340 509 HD2 ARG 76 1HD ARG 76 17.105 15.189 -4.561 510 HD3 ARG 76 2HD ARG 76 17.098 16.470 -3.354 511 HE ARG 76 HE ARG 76 19.539 16.209 -4.985 512 HH11 ARG 76 1HH1 ARG 76 16.345 17.666 -4.747 513 HH12 ARG 76 2HH1 ARG 76 16.720 19.073 -5.669 514 HH21 ARG 76 1HH2 ARG 76 20.212 18.284 -5.817 515 HH22 ARG 76 2HH2 ARG 76 19.037 19.403 -6.378 516 H ARG 77 H ARG 77 17.097 11.220 -2.154 517 HA ARG 77 HA ARG 77 17.103 9.564 -4.618 518 HB2 ARG 77 1HB ARG 77 16.832 8.434 -1.793 519 HB3 ARG 77 2HB ARG 77 16.900 7.538 -3.309 520 HG2 ARG 77 1HG ARG 77 19.274 8.621 -3.613 521 HG3 ARG 77 2HG ARG 77 19.139 9.020 -1.891 522 HD2 ARG 77 1HD ARG 77 20.363 6.993 -2.041 523 HD3 ARG 77 2HD ARG 77 18.767 6.551 -1.452 524 HE ARG 77 HE ARG 77 18.179 5.709 -3.619 525 HH11 ARG 77 1HH1 ARG 77 21.744 6.496 -3.430 526 HH12 ARG 77 2HH1 ARG 77 22.065 5.376 -4.688 527 HH21 ARG 77 1HH2 ARG 77 18.729 4.534 -5.407 528 HH22 ARG 77 2HH2 ARG 77 20.358 4.501 -6.024 529 H THR 78 H THR 78 14.876 7.945 -4.145 530 HA THR 78 HA THR 78 12.978 9.384 -2.565 531 HB THR 78 HB THR 78 12.526 10.444 -4.656 532 HG1 THR 78 1HG THR 78 10.476 8.512 -4.307 533 HG21 THR 78 3HG2 THR 78 11.969 7.719 -5.864 534 HG22 THR 78 1HG2 THR 78 13.315 8.806 -6.298 535 HG23 THR 78 2HG2 THR 78 11.650 9.298 -6.620 536 H GLY 79 H GLY 79 11.174 7.975 -2.036 537 HA2 GLY 79 1HA GLY 79 11.607 5.064 -2.411 538 HA3 GLY 79 2HA GLY 79 10.407 5.825 -1.364 539 H LEU 80 H LEU 80 9.431 4.000 -3.019 540 HA LEU 80 HA LEU 80 7.523 5.589 -4.494 541 HB2 LEU 80 1HB LEU 80 9.422 5.301 -6.195 542 HB3 LEU 80 2HB LEU 80 9.213 3.554 -6.024 543 HG LEU 80 HG LEU 80 6.741 3.946 -6.751 544 HD11 LEU 80 1HD1 LEU 80 7.973 6.573 -7.728 545 HD12 LEU 80 2HD1 LEU 80 6.748 6.407 -6.443 546 HD13 LEU 80 3HD1 LEU 80 6.339 5.970 -8.095 547 HD21 LEU 80 3HD2 LEU 80 9.030 4.433 -8.657 548 HD22 LEU 80 1HD2 LEU 80 7.360 4.032 -9.125 549 HD23 LEU 80 2HD2 LEU 80 8.310 2.879 -8.179 550 H VAL 81 H VAL 81 6.245 4.373 -2.747 551 HA VAL 81 HA VAL 81 6.420 1.465 -2.860 552 HB VAL 81 HB VAL 81 5.040 1.337 -0.987 553 HG11 VAL 81 1HG1 VAL 81 6.095 2.698 0.639 554 HG12 VAL 81 2HG1 VAL 81 7.293 2.409 -0.635 555 HG13 VAL 81 3HG1 VAL 81 6.453 3.963 -0.548 556 HG21 VAL 81 3HG2 VAL 81 3.782 3.244 0.015 557 HG22 VAL 81 1HG2 VAL 81 3.992 4.118 -1.523 558 HG23 VAL 81 2HG2 VAL 81 3.091 2.571 -1.452 559 H THR 82 H THR 82 4.023 0.241 -2.842 560 HA THR 82 HA THR 82 2.296 1.570 -4.848 561 HB THR 82 HB THR 82 3.063 -1.370 -5.017 562 HG1 THR 82 1HG THR 82 3.830 0.588 -6.895 563 HG21 THR 82 3HG2 THR 82 1.440 0.501 -6.802 564 HG22 THR 82 1HG2 THR 82 0.857 -0.939 -5.933 565 HG23 THR 82 2HG2 THR 82 1.973 -1.114 -7.287 566 H LEU 83 H LEU 83 0.119 1.211 -4.513 567 HA LEU 83 HA LEU 83 -0.703 -0.335 -2.113 568 HB2 LEU 83 1HB LEU 83 -1.805 2.380 -2.996 569 HB3 LEU 83 2HB LEU 83 -2.272 1.428 -1.603 570 HG LEU 83 HG LEU 83 0.277 1.748 -0.896 571 HD11 LEU 83 1HD1 LEU 83 -0.203 4.226 -2.624 572 HD12 LEU 83 2HD1 LEU 83 1.046 3.013 -2.899 573 HD13 LEU 83 3HD1 LEU 83 1.113 4.020 -1.456 574 HD21 LEU 83 3HD2 LEU 83 -1.830 3.931 -0.682 575 HD22 LEU 83 1HD2 LEU 83 -0.409 3.747 0.386 576 HD23 LEU 83 2HD2 LEU 83 -1.676 2.514 0.376 577 H LYS 84 H LYS 84 -2.905 -1.195 -2.326 578 HA LYS 84 HA LYS 84 -4.296 -0.727 -4.868 579 HB2 LYS 84 1HB LYS 84 -2.725 -2.648 -5.309 580 HB3 LYS 84 2HB LYS 84 -3.488 -3.539 -3.988 581 HG2 LYS 84 1HG LYS 84 -5.679 -3.341 -5.229 582 HG3 LYS 84 2HG LYS 84 -4.794 -2.601 -6.575 583 HD2 LYS 84 1HD LYS 84 -3.532 -4.649 -6.931 584 HD3 LYS 84 2HD LYS 84 -4.182 -5.365 -5.432 585 HE2 LYS 84 1HE LYS 84 -6.485 -5.245 -6.347 586 HE3 LYS 84 2HE LYS 84 -5.850 -4.557 -7.853 587 HZ1 LYS 84 3HZ LYS 84 -6.304 -6.957 -7.895 588 HZ2 LYS 84 1HZ LYS 84 -5.045 -7.220 -6.857 589 HZ3 LYS 84 2HZ LYS 84 -4.767 -6.577 -8.340 590 H GLN 85 H GLN 85 -6.486 -0.797 -4.572 591 HA GLN 85 HA GLN 85 -7.575 -1.152 -1.879 592 HB2 GLN 85 1HB GLN 85 -8.355 0.057 -4.441 593 HB3 GLN 85 2HB GLN 85 -9.686 -0.866 -3.757 594 HG2 GLN 85 1HG GLN 85 -9.808 0.502 -1.844 595 HG3 GLN 85 2HG GLN 85 -8.154 1.079 -2.048 596 HE21 GLN 85 1HE2 GLN 85 -11.269 1.155 -4.076 597 HE22 GLN 85 2HE2 GLN 85 -11.101 2.842 -4.389 598 H ASP 86 H ASP 86 -9.177 -2.586 -1.332 599 HA ASP 86 HA ASP 86 -8.847 -5.263 -1.793 600 HB2 ASP 86 1HB ASP 86 -10.042 -4.233 0.108 601 HB3 ASP 86 2HB ASP 86 -11.398 -3.815 -0.948 602 H GLU 87 H GLU 87 -11.854 -3.685 -2.911 603 HA GLU 87 HA GLU 87 -12.327 -5.845 -4.829 604 HB2 GLU 87 1HB GLU 87 -13.789 -3.292 -4.074 605 HB3 GLU 87 2HB GLU 87 -14.406 -4.385 -5.300 606 HG2 GLU 87 1HG GLU 87 -13.741 -5.429 -2.529 607 HG3 GLU 87 2HG GLU 87 -15.247 -4.587 -2.842 608 H SER 88 H SER 88 -10.911 -2.714 -4.899 609 HA SER 88 HA SER 88 -11.399 -2.206 -7.744 610 HB2 SER 88 1HB SER 88 -9.825 -0.450 -5.881 611 HB3 SER 88 2HB SER 88 -10.724 -0.009 -7.335 612 HG SER 88 HG SER 88 -12.589 -0.863 -6.085 613 H GLY 89 H GLY 89 -8.654 -0.773 -7.847 614 HA2 GLY 89 1HA GLY 89 -6.684 -2.705 -7.695 615 HA3 GLY 89 2HA GLY 89 -7.402 -2.967 -9.279 616 H LYS 90 H LYS 90 -7.760 0.327 -9.044 617 HA LYS 90 HA LYS 90 -5.436 1.019 -10.602 618 HB2 LYS 90 1HB LYS 90 -7.533 2.574 -9.014 619 HB3 LYS 90 2HB LYS 90 -6.141 3.351 -9.749 620 HG2 LYS 90 1HG LYS 90 -7.943 3.634 -11.169 621 HG3 LYS 90 2HG LYS 90 -6.830 2.529 -11.977 622 HD2 LYS 90 1HD LYS 90 -8.436 0.647 -11.397 623 HD3 LYS 90 2HD LYS 90 -9.474 1.848 -10.607 624 HE2 LYS 90 1HE LYS 90 -10.443 1.830 -12.720 625 HE3 LYS 90 2HE LYS 90 -9.271 3.139 -12.911 626 HZ1 LYS 90 3HZ LYS 90 -8.914 1.737 -14.766 627 HZ2 LYS 90 1HZ LYS 90 -9.084 0.366 -13.878 628 HZ3 LYS 90 2HZ LYS 90 -7.741 1.261 -13.732 629 H THR 91 H THR 91 -3.389 1.252 -9.780 630 HA THR 91 HA THR 91 -3.048 1.108 -6.879 631 HB THR 91 HB THR 91 -0.596 1.134 -7.586 632 HG1 THR 91 1HG THR 91 -1.158 2.113 -9.702 633 HG21 THR 91 3HG2 THR 91 -1.812 -1.014 -7.183 634 HG22 THR 91 1HG2 THR 91 -0.632 -1.171 -8.487 635 HG23 THR 91 2HG2 THR 91 -2.371 -1.015 -8.858 636 H LEU 92 H LEU 92 -2.127 2.764 -5.656 637 HA LEU 92 HA LEU 92 -2.104 5.522 -6.828 638 HB2 LEU 92 1HB LEU 92 -1.957 4.606 -3.934 639 HB3 LEU 92 2HB LEU 92 -1.949 6.273 -4.502 640 HG LEU 92 HG LEU 92 -4.252 4.289 -4.739 641 HD11 LEU 92 1HD1 LEU 92 -5.292 5.620 -3.032 642 HD12 LEU 92 2HD1 LEU 92 -3.956 6.815 -3.066 643 HD13 LEU 92 3HD1 LEU 92 -3.688 5.172 -2.468 644 HD21 LEU 92 3HD2 LEU 92 -4.362 5.843 -6.656 645 HD22 LEU 92 1HD2 LEU 92 -4.184 7.234 -5.569 646 HD23 LEU 92 2HD2 LEU 92 -5.630 6.212 -5.492 647 H SER 93 H SER 93 -0.278 6.815 -6.395 648 HA SER 93 HA SER 93 2.238 5.310 -5.970 649 HB2 SER 93 1HB SER 93 1.652 7.554 -7.943 650 HB3 SER 93 2HB SER 93 3.237 6.805 -7.701 651 HG SER 93 HG SER 93 2.533 4.982 -8.591 652 H LEU 94 H LEU 94 4.001 6.561 -5.001 653 HA LEU 94 HA LEU 94 3.250 9.056 -3.591 654 HB2 LEU 94 1HB LEU 94 2.387 6.901 -2.407 655 HB3 LEU 94 2HB LEU 94 4.074 6.584 -2.017 656 HG LEU 94 HG LEU 94 2.448 9.061 -1.258 657 HD11 LEU 94 1HD1 LEU 94 3.443 6.745 0.465 658 HD12 LEU 94 2HD1 LEU 94 1.774 6.965 -0.108 659 HD13 LEU 94 3HD1 LEU 94 2.476 8.145 0.994 660 HD21 LEU 94 3HD2 LEU 94 4.357 9.525 0.323 661 HD22 LEU 94 1HD2 LEU 94 4.760 9.753 -1.369 662 HD23 LEU 94 2HD2 LEU 94 5.299 8.273 -0.521 663 H LYS 95 H LYS 95 5.015 10.280 -4.048 664 HA LYS 95 HA LYS 95 7.717 8.994 -4.109 665 HB2 LYS 95 1HB LYS 95 6.433 11.084 -5.884 666 HB3 LYS 95 2HB LYS 95 8.204 11.000 -5.716 667 HG2 LYS 95 1HG LYS 95 8.311 8.819 -6.596 668 HG3 LYS 95 2HG LYS 95 6.578 8.546 -6.346 669 HD2 LYS 95 1HD LYS 95 6.945 8.770 -8.680 670 HD3 LYS 95 2HD LYS 95 6.018 10.155 -8.082 671 HE2 LYS 95 1HE LYS 95 7.965 11.596 -8.174 672 HE3 LYS 95 2HE LYS 95 9.028 10.226 -8.568 673 HZ1 LYS 95 3HZ LYS 95 7.844 9.953 -10.620 674 HZ2 LYS 95 1HZ LYS 95 8.423 11.502 -10.501 675 HZ3 LYS 95 2HZ LYS 95 6.820 11.212 -10.264 676 H ILE 96 H ILE 96 9.287 9.927 -2.989 677 HA ILE 96 HA ILE 96 8.649 12.401 -1.394 678 HB ILE 96 HB ILE 96 9.901 9.893 -0.268 679 HG12 ILE 96 1HG1 ILE 96 7.035 10.631 0.387 680 HG13 ILE 96 2HG1 ILE 96 7.411 9.505 -0.917 681 HG21 ILE 96 1HG2 ILE 96 9.983 10.937 1.740 682 HG22 ILE 96 2HG2 ILE 96 10.024 12.415 0.749 683 HG23 ILE 96 3HG2 ILE 96 8.520 11.905 1.475 684 HD11 ILE 96 3HD1 ILE 96 7.016 8.278 1.149 685 HD12 ILE 96 1HD1 ILE 96 8.665 8.054 0.533 686 HD13 ILE 96 2HD1 ILE 96 8.384 9.118 1.919 687 H VAL 97 H VAL 97 10.151 13.752 -2.522 688 HA VAL 97 HA VAL 97 12.859 12.655 -3.005 689 HB VAL 97 HB VAL 97 11.495 15.124 -4.123 690 HG11 VAL 97 1HG1 VAL 97 14.001 15.139 -4.250 691 HG12 VAL 97 2HG1 VAL 97 13.931 13.547 -5.017 692 HG13 VAL 97 3HG1 VAL 97 13.269 14.965 -5.862 693 HG21 VAL 97 3HG2 VAL 97 10.272 13.128 -4.904 694 HG22 VAL 97 1HG2 VAL 97 11.230 13.835 -6.213 695 HG23 VAL 97 2HG2 VAL 97 11.820 12.386 -5.392 696 H GLN 98 H GLN 98 13.591 12.817 -0.806 697 HA GLN 98 HA GLN 98 13.366 15.379 0.594 698 HB2 GLN 98 1HB GLN 98 14.570 12.728 1.552 699 HB3 GLN 98 2HB GLN 98 14.040 14.080 2.553 700 HG2 GLN 98 1HG GLN 98 11.700 13.710 1.579 701 HG3 GLN 98 2HG GLN 98 12.296 12.206 0.921 702 HE21 GLN 98 1HE2 GLN 98 13.759 10.982 2.882 703 HE22 GLN 98 2HE2 GLN 98 12.603 10.649 4.183 704 HA PRO 99 HA PRO 99 17.902 16.149 0.291 705 HB2 PRO 99 1HB PRO 99 18.481 16.941 2.887 706 HB3 PRO 99 2HB PRO 99 17.642 17.984 1.713 707 HG2 PRO 99 1HG PRO 99 16.379 16.202 3.811 708 HG3 PRO 99 2HG PRO 99 16.102 17.956 3.529 709 HD2 PRO 99 1HD PRO 99 14.425 16.170 2.459 710 HD3 PRO 99 2HD PRO 99 14.988 17.526 1.462 711 H GLY 100 H GLY 100 19.860 15.554 1.981 712 HA2 GLY 100 1HA GLY 100 19.544 12.713 2.704 713 HA3 GLY 100 2HA GLY 100 20.941 13.362 1.877 714 H LYS 101 H LYS 101 20.302 12.060 4.624 715 HA LYS 101 HA LYS 101 21.339 14.147 6.477 716 HB2 LYS 101 1HB LYS 101 19.030 13.057 6.758 717 HB3 LYS 101 2HB LYS 101 19.894 11.561 7.087 718 HG2 LYS 101 1HG LYS 101 21.103 13.322 8.879 719 HG3 LYS 101 2HG LYS 101 19.478 13.965 8.794 720 HD2 LYS 101 1HD LYS 101 20.256 11.081 9.455 721 HD3 LYS 101 2HD LYS 101 19.780 12.317 10.623 722 HE2 LYS 101 1HE LYS 101 18.020 11.092 8.451 723 HE3 LYS 101 2HE LYS 101 17.953 10.760 10.180 724 HZ1 LYS 101 3HZ LYS 101 16.302 12.321 9.895 725 HZ2 LYS 101 1HZ LYS 101 17.141 13.236 8.804 726 HZ3 LYS 101 2HZ LYS 101 17.527 13.268 10.406 727 H THR 102 H THR 102 23.028 13.525 8.000 728 HA THR 102 HA THR 102 23.774 10.769 8.218 729 HB THR 102 HB THR 102 26.273 11.573 8.202 730 HG1 THR 102 1HG THR 102 25.551 13.730 7.411 731 HG21 THR 102 3HG2 THR 102 25.225 9.756 6.767 732 HG22 THR 102 1HG2 THR 102 26.651 10.544 6.093 733 HG23 THR 102 2HG2 THR 102 25.038 10.983 5.498 734 H SER 103 H SER 103 22.865 11.032 10.334 735 HA SER 103 HA SER 103 24.579 12.536 12.158 736 HB2 SER 103 1HB SER 103 22.557 13.985 11.295 737 HB3 SER 103 2HB SER 103 21.589 12.982 12.385 738 HG SER 103 HG SER 103 22.574 14.985 13.231 739 H ILE 104 H ILE 104 23.754 12.136 14.469 740 HA ILE 104 HA ILE 104 23.294 9.245 14.822 741 HB ILE 104 HB ILE 104 23.838 11.305 17.000 742 HG12 ILE 104 1HG1 ILE 104 26.172 10.022 16.933 743 HG13 ILE 104 2HG1 ILE 104 25.783 9.821 15.232 744 HG21 ILE 104 1HG2 ILE 104 22.812 9.189 17.748 745 HG22 ILE 104 2HG2 ILE 104 24.058 8.266 16.883 746 HG23 ILE 104 3HG2 ILE 104 24.489 9.275 18.277 747 HD11 ILE 104 3HD1 ILE 104 25.667 12.316 14.996 748 HD12 ILE 104 1HD1 ILE 104 25.950 12.474 16.743 749 HD13 ILE 104 2HD1 ILE 104 27.209 11.805 15.697 750 H ASP 105 H ASP 105 21.268 9.553 13.777 751 HA ASP 105 HA ASP 105 19.016 10.712 15.361 752 HB2 ASP 105 1HB ASP 105 19.562 11.971 13.321 753 HB3 ASP 105 2HB ASP 105 19.489 10.495 12.357 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -26.454 -8.504 -0.748 2 HA2 GLY 1 1HA GLY 1 -29.103 -8.679 -2.093 3 HA3 GLY 1 2HA GLY 1 -28.800 -7.800 -0.572 4 H HIS 2 H HIS 2 -29.744 -5.886 -1.964 5 HA HIS 2 HA HIS 2 -29.451 -4.020 -3.256 6 HB2 HIS 2 1HB HIS 2 -26.892 -4.184 -1.633 7 HB3 HIS 2 2HB HIS 2 -27.371 -2.772 -2.555 8 HD1 HIS 2 1HD HIS 2 -27.386 -3.586 0.870 9 HD2 HIS 2 2HD HIS 2 -30.257 -2.137 -1.874 10 HE1 HIS 2 1HE HIS 2 -29.094 -2.248 2.205 11 H MET 3 H MET 3 -29.434 -5.124 -5.410 12 HA MET 3 HA MET 3 -26.896 -4.791 -6.816 13 HB2 MET 3 1HB MET 3 -26.883 -7.052 -7.685 14 HB3 MET 3 2HB MET 3 -26.846 -7.118 -5.924 15 HG2 MET 3 1HG MET 3 -29.428 -7.427 -6.067 16 HG3 MET 3 2HG MET 3 -29.161 -7.719 -7.787 17 HE1 MET 3 3HE MET 3 -29.812 -11.358 -6.865 18 HE2 MET 3 1HE MET 3 -30.714 -9.893 -6.414 19 HE3 MET 3 2HE MET 3 -30.030 -10.054 -8.048 20 H GLY 4 H GLY 4 -27.347 -5.116 -9.250 21 HA2 GLY 4 1HA GLY 4 -28.694 -4.931 -11.127 22 HA3 GLY 4 2HA GLY 4 -30.126 -4.662 -10.112 23 H SER 5 H SER 5 -29.135 -2.712 -8.366 24 HA SER 5 HA SER 5 -29.246 -0.278 -9.790 25 HB2 SER 5 1HB SER 5 -28.423 0.534 -7.449 26 HB3 SER 5 2HB SER 5 -29.978 -0.315 -7.581 27 HG SER 5 HG SER 5 -27.508 -1.356 -6.669 28 HA PRO 6 HA PRO 6 -25.033 0.395 -10.999 29 HB2 PRO 6 1HB PRO 6 -24.684 3.117 -10.595 30 HB3 PRO 6 2HB PRO 6 -25.630 2.430 -11.935 31 HG2 PRO 6 1HG PRO 6 -26.655 3.447 -9.282 32 HG3 PRO 6 2HG PRO 6 -27.280 3.798 -10.927 33 HD2 PRO 6 1HD PRO 6 -28.440 1.917 -9.367 34 HD3 PRO 6 2HD PRO 6 -28.232 1.631 -11.124 35 H VAL 7 H VAL 7 -22.892 1.078 -10.199 36 HA VAL 7 HA VAL 7 -22.596 1.530 -7.314 37 HB VAL 7 HB VAL 7 -21.136 -0.590 -8.968 38 HG11 VAL 7 1HG1 VAL 7 -19.613 0.368 -7.368 39 HG12 VAL 7 2HG1 VAL 7 -20.815 0.266 -6.058 40 HG13 VAL 7 3HG1 VAL 7 -20.123 -1.210 -6.766 41 HG21 VAL 7 3HG2 VAL 7 -23.358 -1.427 -8.329 42 HG22 VAL 7 1HG2 VAL 7 -22.130 -2.216 -7.351 43 HG23 VAL 7 2HG2 VAL 7 -23.096 -0.905 -6.650 44 H SER 8 H SER 8 -20.505 2.632 -6.963 45 HA SER 8 HA SER 8 -19.040 3.507 -9.364 46 HB2 SER 8 1HB SER 8 -20.066 5.630 -7.452 47 HB3 SER 8 2HB SER 8 -19.315 5.829 -9.038 48 HG SER 8 HG SER 8 -21.230 4.764 -9.896 49 H TYR 9 H TYR 9 -17.096 2.635 -8.668 50 HA TYR 9 HA TYR 9 -16.257 2.945 -5.855 51 HB2 TYR 9 1HB TYR 9 -15.002 1.696 -8.274 52 HB3 TYR 9 2HB TYR 9 -14.026 2.088 -6.890 53 HD1 TYR 9 2HD TYR 9 -17.435 0.498 -7.343 54 HD2 TYR 9 1HD TYR 9 -13.569 0.267 -5.470 55 HE1 TYR 9 2HE TYR 9 -18.029 -1.692 -6.372 56 HE2 TYR 9 1HE TYR 9 -14.193 -1.849 -4.414 57 HH TYR 9 HH TYR 9 -15.972 -3.639 -4.249 58 H TYR 10 H TYR 10 -14.484 4.115 -5.201 59 HA TYR 10 HA TYR 10 -13.444 6.342 -6.844 60 HB2 TYR 10 1HB TYR 10 -14.456 6.479 -3.964 61 HB3 TYR 10 2HB TYR 10 -13.551 7.718 -4.823 62 HD1 TYR 10 2HD TYR 10 -16.785 5.848 -4.815 63 HD2 TYR 10 1HD TYR 10 -14.614 9.320 -6.160 64 HE1 TYR 10 2HE TYR 10 -18.894 6.837 -5.582 65 HE2 TYR 10 1HE TYR 10 -16.715 10.374 -6.865 66 HH TYR 10 HH TYR 10 -19.377 9.102 -7.492 67 H PHE 11 H PHE 11 -11.290 5.698 -6.949 68 HA PHE 11 HA PHE 11 -9.949 5.346 -4.373 69 HB2 PHE 11 1HB PHE 11 -10.258 3.002 -5.614 70 HB3 PHE 11 2HB PHE 11 -9.055 3.631 -6.674 71 HD1 PHE 11 2HD PHE 11 -9.601 3.569 -2.906 72 HD2 PHE 11 1HD PHE 11 -6.901 3.121 -6.159 73 HE1 PHE 11 2HE PHE 11 -7.847 2.788 -1.318 74 HE2 PHE 11 1HE PHE 11 -5.084 2.384 -4.589 75 HZ PHE 11 HZ PHE 11 -5.597 2.183 -2.160 76 H SER 12 H SER 12 -9.284 7.480 -4.463 77 HA SER 12 HA SER 12 -7.178 8.191 -6.268 78 HB2 SER 12 1HB SER 12 -8.534 10.242 -7.137 79 HB3 SER 12 2HB SER 12 -8.752 8.679 -7.927 80 HG SER 12 HG SER 12 -10.595 10.210 -6.755 81 H TYR 13 H TYR 13 -6.390 10.448 -5.772 82 HA TYR 13 HA TYR 13 -6.762 11.226 -2.967 83 HB2 TYR 13 1HB TYR 13 -5.353 12.529 -5.330 84 HB3 TYR 13 2HB TYR 13 -5.470 13.254 -3.745 85 HD1 TYR 13 2HD TYR 13 -4.309 12.333 -1.781 86 HD2 TYR 13 1HD TYR 13 -3.770 10.671 -5.718 87 HE1 TYR 13 2HE TYR 13 -2.223 11.265 -1.032 88 HE2 TYR 13 1HE TYR 13 -1.630 9.619 -4.983 89 HH TYR 13 HH TYR 13 -0.764 8.860 -2.228 90 H ALA 14 H ALA 14 -7.481 13.577 -2.614 91 HA ALA 14 HA ALA 14 -9.944 14.122 -4.219 92 HB1 ALA 14 1HB ALA 14 -10.534 13.293 -2.040 93 HB2 ALA 14 2HB ALA 14 -9.413 14.408 -1.242 94 HB3 ALA 14 3HB ALA 14 -10.835 15.036 -2.090 95 H ASP 15 H ASP 15 -6.867 15.261 -3.721 96 HA ASP 15 HA ASP 15 -7.584 18.037 -4.447 97 HB2 ASP 15 1HB ASP 15 -7.356 17.749 -1.917 98 HB3 ASP 15 2HB ASP 15 -5.663 17.398 -2.194 99 H GLY 16 H GLY 16 -6.809 16.230 -6.270 100 HA2 GLY 16 1HA GLY 16 -4.559 17.183 -7.505 101 HA3 GLY 16 2HA GLY 16 -3.914 15.886 -6.485 102 H GLY 17 H GLY 17 -4.383 13.705 -7.011 103 HA2 GLY 17 1HA GLY 17 -6.143 13.011 -9.244 104 HA3 GLY 17 2HA GLY 17 -4.451 13.102 -9.705 105 H THR 18 H THR 18 -3.288 11.252 -9.449 106 HA THR 18 HA THR 18 -4.080 9.261 -7.395 107 HB THR 18 HB THR 18 -3.929 7.396 -9.012 108 HG1 THR 18 1HG THR 18 -2.914 8.428 -10.754 109 HG21 THR 18 3HG2 THR 18 -6.153 9.334 -9.736 110 HG22 THR 18 1HG2 THR 18 -6.109 8.376 -8.237 111 HG23 THR 18 2HG2 THR 18 -6.186 7.559 -9.799 112 H SER 19 H SER 19 -1.646 11.206 -8.059 113 HA SER 19 HA SER 19 0.131 9.195 -6.966 114 HB2 SER 19 1HB SER 19 0.437 9.085 -9.474 115 HB3 SER 19 2HB SER 19 0.931 10.783 -9.416 116 HG SER 19 HG SER 19 2.593 9.195 -9.490 117 H HIS 20 H HIS 20 1.661 10.232 -5.637 118 HA HIS 20 HA HIS 20 1.539 13.225 -5.384 119 HB2 HIS 20 1HB HIS 20 1.352 11.161 -3.381 120 HB3 HIS 20 2HB HIS 20 2.868 11.989 -3.140 121 HD1 HIS 20 1HD HIS 20 -0.646 13.509 -4.029 122 HD2 HIS 20 2HD HIS 20 2.496 13.658 -1.200 123 HE1 HIS 20 1HE HIS 20 -1.321 15.221 -2.285 124 H THR 21 H THR 21 3.538 14.327 -4.990 125 HA THR 21 HA THR 21 5.886 12.842 -4.545 126 HB THR 21 HB THR 21 6.161 14.787 -6.856 127 HG1 THR 21 1HG THR 21 5.178 12.349 -6.987 128 HG21 THR 21 3HG2 THR 21 8.181 14.414 -5.508 129 HG22 THR 21 1HG2 THR 21 8.371 13.600 -7.073 130 HG23 THR 21 2HG2 THR 21 7.982 12.663 -5.616 131 H GLU 22 H GLU 22 6.037 13.895 -2.521 132 HA GLU 22 HA GLU 22 6.118 16.884 -2.691 133 HB2 GLU 22 1HB GLU 22 4.834 15.880 -0.857 134 HB3 GLU 22 2HB GLU 22 6.335 15.212 -0.178 135 HG2 GLU 22 1HG GLU 22 7.208 17.375 0.314 136 HG3 GLU 22 2HG GLU 22 6.143 18.174 -0.834 137 H TYR 23 H TYR 23 7.949 17.986 -1.909 138 HA TYR 23 HA TYR 23 10.560 16.614 -2.315 139 HB2 TYR 23 1HB TYR 23 9.589 19.274 -3.433 140 HB3 TYR 23 2HB TYR 23 11.220 18.646 -3.566 141 HD1 TYR 23 1HD TYR 23 7.699 18.215 -4.714 142 HD2 TYR 23 2HD TYR 23 11.774 16.881 -5.132 143 HE1 TYR 23 1HE TYR 23 7.119 17.172 -6.866 144 HE2 TYR 23 2HE TYR 23 11.208 15.815 -7.307 145 HH TYR 23 HH TYR 23 9.249 16.411 -9.151 146 HA PRO 24 HA PRO 24 10.341 19.181 1.600 147 HB2 PRO 24 1HB PRO 24 11.296 17.293 3.358 148 HB3 PRO 24 2HB PRO 24 9.564 17.448 2.898 149 HG2 PRO 24 1HG PRO 24 11.641 15.535 1.876 150 HG3 PRO 24 2HG PRO 24 9.945 15.201 2.317 151 HD2 PRO 24 1HD PRO 24 10.739 15.578 -0.277 152 HD3 PRO 24 2HD PRO 24 9.123 16.042 0.327 153 H ASP 25 H ASP 25 12.333 19.593 3.209 154 HA ASP 25 HA ASP 25 14.902 19.060 2.025 155 HB2 ASP 25 1HB ASP 25 15.463 20.981 1.067 156 HB3 ASP 25 2HB ASP 25 13.752 21.094 0.728 157 H ASP 26 H ASP 26 16.616 19.856 3.287 158 HA ASP 26 HA ASP 26 17.769 20.057 5.132 159 HB2 ASP 26 1HB ASP 26 16.764 22.265 5.457 160 HB3 ASP 26 2HB ASP 26 15.471 21.545 6.439 161 H SER 27 H SER 27 14.523 19.468 6.565 162 HA SER 27 HA SER 27 15.055 16.720 7.258 163 HB2 SER 27 1HB SER 27 15.399 18.836 9.427 164 HB3 SER 27 2HB SER 27 14.978 17.155 9.790 165 HG SER 27 HG SER 27 17.147 17.715 8.108 166 H SER 28 H SER 28 12.992 17.065 5.923 167 HA SER 28 HA SER 28 10.727 17.384 7.799 168 HB2 SER 28 1HB SER 28 9.867 17.643 5.087 169 HB3 SER 28 2HB SER 28 9.687 18.724 6.439 170 HG SER 28 HG SER 28 11.507 19.795 5.908 171 H ALA 29 H ALA 29 10.484 15.347 8.461 172 HA ALA 29 HA ALA 29 9.240 13.471 6.581 173 HB1 ALA 29 1HB ALA 29 11.545 12.590 6.895 174 HB2 ALA 29 2HB ALA 29 11.380 12.755 8.658 175 HB3 ALA 29 3HB ALA 29 10.387 11.582 7.787 176 H GLY 30 H GLY 30 7.614 12.042 7.987 177 HA2 GLY 30 1HA GLY 30 7.531 11.618 10.502 178 HA3 GLY 30 2HA GLY 30 7.049 13.315 10.597 179 H SER 31 H SER 31 5.276 11.803 11.645 180 HA SER 31 HA SER 31 3.740 10.364 9.700 181 HB2 SER 31 1HB SER 31 2.551 9.574 11.816 182 HB3 SER 31 2HB SER 31 4.288 9.254 11.759 183 HG SER 31 HG SER 31 3.171 11.546 12.972 184 H PHE 32 H PHE 32 2.111 11.326 8.641 185 HA PHE 32 HA PHE 32 0.201 13.042 10.160 186 HB2 PHE 32 1HB PHE 32 -0.147 14.584 8.432 187 HB3 PHE 32 2HB PHE 32 1.545 14.500 8.814 188 HD1 PHE 32 1HD PHE 32 3.028 12.953 7.230 189 HD2 PHE 32 2HD PHE 32 -0.714 14.823 6.129 190 HE1 PHE 32 1HE PHE 32 3.694 12.950 4.803 191 HE2 PHE 32 2HE PHE 32 0.066 14.989 3.837 192 HZ PHE 32 HZ PHE 32 2.224 13.988 3.132 193 H ILE 33 H ILE 33 -1.726 13.406 8.172 194 HA ILE 33 HA ILE 33 -2.803 10.740 7.585 195 HB ILE 33 HB ILE 33 -4.212 13.003 9.094 196 HG12 ILE 33 1HG1 ILE 33 -3.205 10.300 10.018 197 HG13 ILE 33 2HG1 ILE 33 -2.739 11.883 10.611 198 HG21 ILE 33 1HG2 ILE 33 -5.256 10.324 8.100 199 HG22 ILE 33 2HG2 ILE 33 -6.153 11.404 9.187 200 HG23 ILE 33 3HG2 ILE 33 -5.770 11.934 7.564 201 HD11 ILE 33 3HD1 ILE 33 -5.076 12.214 11.478 202 HD12 ILE 33 1HD1 ILE 33 -5.373 10.492 11.121 203 HD13 ILE 33 2HD1 ILE 33 -4.116 10.955 12.276 204 H LEU 34 H LEU 34 -4.094 10.872 5.667 205 HA LEU 34 HA LEU 34 -4.101 13.502 4.250 206 HB2 LEU 34 1HB LEU 34 -3.467 10.698 3.269 207 HB3 LEU 34 2HB LEU 34 -3.886 12.001 2.167 208 HG LEU 34 HG LEU 34 -1.559 12.254 4.120 209 HD11 LEU 34 1HD1 LEU 34 -1.533 11.253 1.252 210 HD12 LEU 34 2HD1 LEU 34 -1.235 10.279 2.726 211 HD13 LEU 34 3HD1 LEU 34 -0.109 11.573 2.278 212 HD21 LEU 34 3HD2 LEU 34 -2.162 14.392 3.275 213 HD22 LEU 34 1HD2 LEU 34 -2.490 13.763 1.633 214 HD23 LEU 34 2HD2 LEU 34 -0.832 13.862 2.228 215 H ASP 35 H ASP 35 -5.726 13.581 2.532 216 HA ASP 35 HA ASP 35 -8.258 12.235 3.327 217 HB2 ASP 35 1HB ASP 35 -7.719 14.920 2.028 218 HB3 ASP 35 2HB ASP 35 -9.307 14.143 2.037 219 H ILE 36 H ILE 36 -7.879 10.338 2.207 220 HA ILE 36 HA ILE 36 -7.571 10.561 -0.744 221 HB ILE 36 HB ILE 36 -6.690 8.173 0.911 222 HG12 ILE 36 1HG1 ILE 36 -4.993 10.518 -0.067 223 HG13 ILE 36 2HG1 ILE 36 -5.290 10.048 1.611 224 HG21 ILE 36 1HG2 ILE 36 -5.541 7.566 -1.201 225 HG22 ILE 36 2HG2 ILE 36 -7.255 7.791 -1.489 226 HG23 ILE 36 3HG2 ILE 36 -6.102 9.062 -1.961 227 HD11 ILE 36 3HD1 ILE 36 -3.105 9.292 1.057 228 HD12 ILE 36 1HD1 ILE 36 -4.145 7.855 1.158 229 HD13 ILE 36 2HD1 ILE 36 -3.659 8.510 -0.429 230 H THR 37 H THR 37 -9.108 9.630 -1.911 231 HA THR 37 HA THR 37 -11.595 8.951 -0.556 232 HB THR 37 HB THR 37 -11.109 8.995 -3.565 233 HG1 THR 37 1HG THR 37 -10.347 10.927 -3.074 234 HG21 THR 37 3HG2 THR 37 -13.416 9.641 -3.639 235 HG22 THR 37 1HG2 THR 37 -13.450 9.938 -1.896 236 HG23 THR 37 2HG2 THR 37 -13.322 8.273 -2.496 237 H SER 38 H SER 38 -11.841 6.809 0.063 238 HA SER 38 HA SER 38 -11.021 4.701 -1.866 239 HB2 SER 38 1HB SER 38 -10.000 3.494 0.113 240 HB3 SER 38 2HB SER 38 -9.138 4.944 -0.436 241 HG SER 38 HG SER 38 -10.929 4.779 1.764 242 H TYR 39 H TYR 39 -13.413 4.688 -2.268 243 HA TYR 39 HA TYR 39 -14.610 2.721 -0.507 244 HB2 TYR 39 1HB TYR 39 -16.590 4.075 0.134 245 HB3 TYR 39 2HB TYR 39 -15.142 4.857 0.711 246 HD1 TYR 39 1HD TYR 39 -17.994 5.101 -1.619 247 HD2 TYR 39 2HD TYR 39 -14.418 7.062 -0.193 248 HE1 TYR 39 1HE TYR 39 -18.746 7.270 -2.608 249 HE2 TYR 39 2HE TYR 39 -15.250 9.194 -1.077 250 HH TYR 39 HH TYR 39 -16.720 10.166 -2.607 251 H LYS 40 H LYS 40 -16.899 2.102 -1.273 252 HA LYS 40 HA LYS 40 -17.296 2.672 -4.184 253 HB2 LYS 40 1HB LYS 40 -18.291 0.544 -4.484 254 HB3 LYS 40 2HB LYS 40 -16.649 0.374 -3.860 255 HG2 LYS 40 1HG LYS 40 -17.622 -1.202 -2.559 256 HG3 LYS 40 2HG LYS 40 -18.073 0.170 -1.537 257 HD2 LYS 40 1HD LYS 40 -20.204 0.353 -2.956 258 HD3 LYS 40 2HD LYS 40 -19.757 -1.170 -3.727 259 HE2 LYS 40 1HE LYS 40 -19.968 -0.797 -0.744 260 HE3 LYS 40 2HE LYS 40 -21.380 -1.192 -1.739 261 HZ1 LYS 40 3HZ LYS 40 -20.283 -3.211 -2.429 262 HZ2 LYS 40 1HZ LYS 40 -20.394 -3.190 -0.780 263 HZ3 LYS 40 2HZ LYS 40 -18.961 -2.891 -1.547 264 H LYS 41 H LYS 41 -19.246 3.587 -4.712 265 HA LYS 41 HA LYS 41 -21.110 4.099 -2.449 266 HB2 LYS 41 1HB LYS 41 -19.911 5.969 -3.775 267 HB3 LYS 41 2HB LYS 41 -20.857 5.490 -5.185 268 HG2 LYS 41 1HG LYS 41 -22.940 6.048 -4.006 269 HG3 LYS 41 2HG LYS 41 -22.044 6.309 -2.508 270 HD2 LYS 41 1HD LYS 41 -20.767 8.178 -3.745 271 HD3 LYS 41 2HD LYS 41 -21.990 8.004 -5.029 272 HE2 LYS 41 1HE LYS 41 -23.756 8.270 -3.201 273 HE3 LYS 41 2HE LYS 41 -22.455 8.633 -2.066 274 HZ1 LYS 41 3HZ LYS 41 -23.260 10.185 -4.435 275 HZ2 LYS 41 1HZ LYS 41 -21.908 10.557 -3.537 276 HZ3 LYS 41 2HZ LYS 41 -23.366 10.618 -2.846 277 H THR 42 H THR 42 -23.174 3.787 -2.627 278 HA THR 42 HA THR 42 -24.206 1.912 -4.629 279 HB THR 42 HB THR 42 -24.472 0.654 -2.158 280 HG1 THR 42 1HG THR 42 -22.790 2.133 -1.398 281 HG21 THR 42 3HG2 THR 42 -22.266 0.147 -4.189 282 HG22 THR 42 1HG2 THR 42 -23.939 -0.408 -4.346 283 HG23 THR 42 2HG2 THR 42 -22.939 -1.032 -3.043 284 H GLY 43 H GLY 43 -25.603 3.753 -4.921 285 HA2 GLY 43 1HA GLY 43 -27.497 4.976 -4.625 286 HA3 GLY 43 2HA GLY 43 -28.006 3.729 -3.475 287 H ASN 44 H ASN 44 -27.684 4.022 -1.276 288 HA ASN 44 HA ASN 44 -27.019 6.813 -0.480 289 HB2 ASN 44 1HB ASN 44 -29.491 5.956 -0.401 290 HB3 ASN 44 2HB ASN 44 -28.976 5.161 1.096 291 HD21 ASN 44 1HD2 ASN 44 -30.259 6.599 2.457 292 HD22 ASN 44 2HD2 ASN 44 -29.943 8.332 2.514 293 H SER 45 H SER 45 -25.489 4.010 -0.413 294 HA SER 45 HA SER 45 -24.334 4.550 2.269 295 HB2 SER 45 1HB SER 45 -24.742 1.813 1.078 296 HB3 SER 45 2HB SER 45 -24.240 2.210 2.717 297 HG SER 45 HG SER 45 -26.467 1.583 2.537 298 H THR 46 H THR 46 -22.186 4.063 2.456 299 HA THR 46 HA THR 46 -20.556 3.724 -0.013 300 HB THR 46 HB THR 46 -19.134 5.580 1.166 301 HG1 THR 46 1HG THR 46 -20.073 6.256 2.925 302 HG21 THR 46 3HG2 THR 46 -20.372 7.340 0.002 303 HG22 THR 46 1HG2 THR 46 -21.801 6.294 -0.124 304 HG23 THR 46 2HG2 THR 46 -20.301 5.874 -0.990 305 H LYS 47 H LYS 47 -19.682 1.691 0.424 306 HA LYS 47 HA LYS 47 -18.684 1.067 3.154 307 HB2 LYS 47 1HB LYS 47 -19.730 -0.566 1.214 308 HB3 LYS 47 2HB LYS 47 -18.012 -0.798 0.900 309 HG2 LYS 47 1HG LYS 47 -19.350 -1.091 3.621 310 HG3 LYS 47 2HG LYS 47 -19.221 -2.419 2.484 311 HD2 LYS 47 1HD LYS 47 -16.807 -1.006 3.681 312 HD3 LYS 47 2HD LYS 47 -17.587 -2.419 4.371 313 HE2 LYS 47 1HE LYS 47 -17.179 -3.665 2.202 314 HE3 LYS 47 2HE LYS 47 -16.156 -2.304 1.714 315 HZ1 LYS 47 3HZ LYS 47 -14.910 -2.729 3.845 316 HZ2 LYS 47 1HZ LYS 47 -14.768 -3.930 2.715 317 HZ3 LYS 47 2HZ LYS 47 -15.745 -4.118 4.016 318 H ALA 48 H ALA 48 -16.691 1.839 3.710 319 HA ALA 48 HA ALA 48 -14.852 2.857 1.668 320 HB1 ALA 48 1HB ALA 48 -14.336 2.303 4.600 321 HB2 ALA 48 2HB ALA 48 -13.322 3.247 3.497 322 HB3 ALA 48 3HB ALA 48 -14.914 3.867 3.949 323 H LEU 49 H LEU 49 -12.817 1.864 1.190 324 HA LEU 49 HA LEU 49 -12.588 -1.037 1.840 325 HB2 LEU 49 1HB LEU 49 -11.824 0.556 -0.653 326 HB3 LEU 49 2HB LEU 49 -11.310 -1.057 -0.302 327 HG LEU 49 HG LEU 49 -12.897 -1.577 -1.709 328 HD11 LEU 49 1HD1 LEU 49 -14.738 -1.401 0.658 329 HD12 LEU 49 2HD1 LEU 49 -13.535 -2.688 0.399 330 HD13 LEU 49 3HD1 LEU 49 -14.875 -2.480 -0.743 331 HD21 LEU 49 3HD2 LEU 49 -13.535 0.748 -2.137 332 HD22 LEU 49 1HD2 LEU 49 -14.717 0.629 -0.790 333 HD23 LEU 49 2HD2 LEU 49 -14.900 -0.385 -2.236 334 H SER 50 H SER 50 -10.441 -1.719 2.342 335 HA SER 50 HA SER 50 -8.557 0.410 3.128 336 HB2 SER 50 1HB SER 50 -7.383 -1.638 4.111 337 HB3 SER 50 2HB SER 50 -8.954 -1.206 4.795 338 HG SER 50 HG SER 50 -9.119 -3.303 4.473 339 H TRP 51 H TRP 51 -6.135 -0.522 2.691 340 HA TRP 51 HA TRP 51 -5.819 -1.789 0.070 341 HB2 TRP 51 1HB TRP 51 -4.297 -0.054 -0.727 342 HB3 TRP 51 2HB TRP 51 -5.911 0.587 -0.529 343 HD1 TRP 51 HD TRP 51 -2.368 0.841 0.796 344 HE1 TRP 51 1HE TRP 51 -2.060 3.047 2.027 345 HE3 TRP 51 3HE TRP 51 -7.279 2.293 1.116 346 HZ2 TRP 51 2HZ TRP 51 -3.691 5.350 2.725 347 HZ3 TRP 51 3HZ TRP 51 -7.855 4.503 2.106 348 HH2 TRP 51 HH TRP 51 -6.080 6.052 2.841 349 H ASN 52 H ASN 52 -3.836 -2.622 -0.212 350 HA ASN 52 HA ASN 52 -2.013 -2.886 2.118 351 HB2 ASN 52 1HB ASN 52 -0.821 -4.532 0.643 352 HB3 ASN 52 2HB ASN 52 -2.461 -5.000 1.077 353 HD21 ASN 52 1HD2 ASN 52 -0.432 -3.845 -1.733 354 HD22 ASN 52 2HD2 ASN 52 -1.748 -4.262 -2.843 355 H ALA 53 H ALA 53 0.275 -2.455 1.660 356 HA ALA 53 HA ALA 53 0.943 -0.756 -0.670 357 HB1 ALA 53 1HB ALA 53 0.698 0.791 1.250 358 HB2 ALA 53 2HB ALA 53 1.746 -0.264 2.235 359 HB3 ALA 53 3HB ALA 53 2.408 0.573 0.833 360 H SER 54 H SER 54 3.439 -1.020 -1.008 361 HA SER 54 HA SER 54 4.949 -2.938 0.455 362 HB2 SER 54 1HB SER 54 3.642 -3.939 -2.080 363 HB3 SER 54 2HB SER 54 5.194 -4.571 -1.524 364 HG SER 54 HG SER 54 3.018 -4.469 0.248 365 H GLY 55 H GLY 55 7.076 -2.771 -0.087 366 HA2 GLY 55 1HA GLY 55 8.547 -2.517 -2.115 367 HA3 GLY 55 2HA GLY 55 7.819 -0.910 -2.289 368 H ASP 56 H ASP 56 9.215 0.553 -1.597 369 HA ASP 56 HA ASP 56 11.525 0.431 -0.221 370 HB2 ASP 56 1HB ASP 56 9.512 2.530 -0.848 371 HB3 ASP 56 2HB ASP 56 10.566 2.931 0.477 372 H SER 57 H SER 57 12.252 0.389 1.838 373 HA SER 57 HA SER 57 10.727 -0.811 3.799 374 HB2 SER 57 1HB SER 57 13.390 0.535 4.253 375 HB3 SER 57 2HB SER 57 12.796 -0.980 4.947 376 HG SER 57 HG SER 57 14.348 -0.750 2.936 377 H TRP 58 H TRP 58 10.318 2.403 3.370 378 HA TRP 58 HA TRP 58 10.380 3.138 6.268 379 HB2 TRP 58 1HB TRP 58 11.535 5.225 5.478 380 HB3 TRP 58 2HB TRP 58 12.482 3.760 5.327 381 HD1 TRP 58 HD TRP 58 12.815 2.794 2.838 382 HE1 TRP 58 1HE TRP 58 12.787 3.907 0.530 383 HE3 TRP 58 3HE TRP 58 10.494 7.207 4.047 384 HZ2 TRP 58 2HZ TRP 58 12.390 6.566 -0.503 385 HZ3 TRP 58 3HZ TRP 58 10.371 9.037 2.398 386 HH2 TRP 58 HH TRP 58 11.321 8.750 0.122 387 H ILE 59 H ILE 59 8.086 2.632 4.246 388 HA ILE 59 HA ILE 59 6.865 5.375 4.318 389 HB ILE 59 HB ILE 59 7.132 3.467 2.000 390 HG12 ILE 59 1HG1 ILE 59 7.605 6.480 2.171 391 HG13 ILE 59 2HG1 ILE 59 8.847 5.280 2.477 392 HG21 ILE 59 1HG2 ILE 59 4.961 5.504 2.524 393 HG22 ILE 59 2HG2 ILE 59 5.515 5.252 0.854 394 HG23 ILE 59 3HG2 ILE 59 4.852 3.906 1.786 395 HD11 ILE 59 3HD1 ILE 59 7.423 5.620 -0.179 396 HD12 ILE 59 1HD1 ILE 59 9.078 6.103 0.233 397 HD13 ILE 59 2HD1 ILE 59 8.651 4.392 0.224 398 H HIS 60 H HIS 60 5.860 4.832 6.141 399 HA HIS 60 HA HIS 60 4.192 2.442 6.502 400 HB2 HIS 60 1HB HIS 60 4.317 5.086 8.042 401 HB3 HIS 60 2HB HIS 60 3.431 3.650 8.525 402 HD1 HIS 60 1HD HIS 60 4.924 1.555 9.397 403 HD2 HIS 60 2HD HIS 60 6.976 5.157 8.584 404 HE1 HIS 60 1HE HIS 60 7.124 1.488 10.722 405 H VAL 61 H VAL 61 2.156 2.354 5.634 406 HA VAL 61 HA VAL 61 0.596 4.877 5.399 407 HB VAL 61 HB VAL 61 0.649 2.873 3.118 408 HG11 VAL 61 1HG1 VAL 61 -0.540 5.670 3.384 409 HG12 VAL 61 2HG1 VAL 61 -0.692 4.570 1.984 410 HG13 VAL 61 3HG1 VAL 61 -1.461 4.175 3.549 411 HG21 VAL 61 3HG2 VAL 61 1.716 4.785 1.821 412 HG22 VAL 61 1HG2 VAL 61 2.044 5.572 3.360 413 HG23 VAL 61 2HG2 VAL 61 2.778 3.990 3.003 414 H ASN 62 H ASN 62 -0.503 4.303 7.201 415 HA ASN 62 HA ASN 62 -1.636 1.567 7.438 416 HB2 ASN 62 1HB ASN 62 -0.176 2.990 9.238 417 HB3 ASN 62 2HB ASN 62 -1.783 3.487 9.736 418 HD21 ASN 62 1HD2 ASN 62 0.252 0.586 9.014 419 HD22 ASN 62 2HD2 ASN 62 -0.744 -0.493 9.983 420 H GLY 63 H GLY 63 -2.908 2.599 5.523 421 HA2 GLY 63 1HA GLY 63 -4.921 3.318 4.666 422 HA3 GLY 63 2HA GLY 63 -5.621 3.115 6.278 423 H SER 64 H SER 64 -6.324 4.937 7.240 424 HA SER 64 HA SER 64 -5.664 7.598 6.276 425 HB2 SER 64 1HB SER 64 -7.313 8.166 8.178 426 HB3 SER 64 2HB SER 64 -7.865 7.328 6.724 427 HG SER 64 HG SER 64 -7.159 5.948 9.089 428 H SER 65 H SER 65 -3.286 6.280 7.259 429 HA SER 65 HA SER 65 -2.424 8.485 8.857 430 HB2 SER 65 1HB SER 65 -1.842 5.692 9.891 431 HB3 SER 65 2HB SER 65 -1.393 7.235 10.627 432 HG SER 65 HG SER 65 -3.960 7.368 10.495 433 H VAL 66 H VAL 66 -0.103 8.787 8.399 434 HA VAL 66 HA VAL 66 1.204 6.760 6.729 435 HB VAL 66 HB VAL 66 -0.069 7.949 5.116 436 HG11 VAL 66 1HG1 VAL 66 0.078 10.423 4.758 437 HG12 VAL 66 2HG1 VAL 66 -0.787 9.967 6.225 438 HG13 VAL 66 3HG1 VAL 66 0.883 10.574 6.323 439 HG21 VAL 66 3HG2 VAL 66 1.533 8.801 3.647 440 HG22 VAL 66 1HG2 VAL 66 2.643 9.289 4.946 441 HG23 VAL 66 2HG2 VAL 66 2.371 7.566 4.589 442 H SER 67 H SER 67 3.463 6.874 6.905 443 HA SER 67 HA SER 67 4.670 9.298 7.941 444 HB2 SER 67 1HB SER 67 4.190 7.727 9.971 445 HB3 SER 67 2HB SER 67 5.568 6.798 9.348 446 HG SER 67 HG SER 67 6.769 8.293 10.297 447 H TYR 68 H TYR 68 5.873 9.642 6.244 448 HA TYR 68 HA TYR 68 7.519 7.459 5.029 449 HB2 TYR 68 1HB TYR 68 7.861 10.317 4.252 450 HB3 TYR 68 2HB TYR 68 8.126 8.876 3.316 451 HD1 TYR 68 2HD TYR 68 5.791 7.448 2.975 452 HD2 TYR 68 1HD TYR 68 6.104 11.694 3.547 453 HE1 TYR 68 2HE TYR 68 3.590 7.743 1.919 454 HE2 TYR 68 1HE TYR 68 3.912 12.014 2.468 455 HH TYR 68 HH TYR 68 2.174 10.930 1.219 456 H ASP 69 H ASP 69 9.183 6.911 6.320 457 HA ASP 69 HA ASP 69 10.298 8.573 8.398 458 HB2 ASP 69 1HB ASP 69 10.158 5.887 7.960 459 HB3 ASP 69 2HB ASP 69 11.791 6.189 7.359 460 H GLU 70 H GLU 70 12.799 8.781 8.468 461 HA GLU 70 HA GLU 70 13.705 10.058 5.947 462 HB2 GLU 70 1HB GLU 70 13.860 11.092 8.393 463 HB3 GLU 70 2HB GLU 70 15.351 10.139 8.438 464 HG2 GLU 70 1HG GLU 70 16.161 11.313 6.408 465 HG3 GLU 70 2HG GLU 70 14.626 12.180 6.290 466 H ASN 71 H ASN 71 16.444 9.603 6.020 467 HA ASN 71 HA ASN 71 16.644 6.679 5.614 468 HB2 ASN 71 1HB ASN 71 18.123 7.162 3.724 469 HB3 ASN 71 2HB ASN 71 16.547 7.892 3.467 470 HD21 ASN 71 1HD2 ASN 71 18.646 8.913 1.833 471 HD22 ASN 71 2HD2 ASN 71 19.135 10.402 2.503 472 HA PRO 72 HA PRO 72 20.041 7.100 8.397 473 HB2 PRO 72 1HB PRO 72 21.566 4.909 7.901 474 HB3 PRO 72 2HB PRO 72 19.869 4.774 8.456 475 HG2 PRO 72 1HG PRO 72 20.899 4.614 5.607 476 HG3 PRO 72 2HG PRO 72 19.772 3.505 6.459 477 HD2 PRO 72 1HD PRO 72 18.875 5.461 4.828 478 HD3 PRO 72 2HD PRO 72 17.991 4.959 6.301 479 H ALA 73 H ALA 73 20.693 7.609 5.074 480 HA ALA 73 HA ALA 73 23.504 8.440 5.613 481 HB1 ALA 73 1HB ALA 73 22.491 7.231 3.020 482 HB2 ALA 73 2HB ALA 73 24.150 7.759 3.401 483 HB3 ALA 73 3HB ALA 73 23.451 6.368 4.244 484 H LYS 74 H LYS 74 24.258 10.120 3.945 485 HA LYS 74 HA LYS 74 22.059 12.030 3.678 486 HB2 LYS 74 1HB LYS 74 23.685 13.829 3.708 487 HB3 LYS 74 2HB LYS 74 23.614 12.823 5.132 488 HG2 LYS 74 1HG LYS 74 25.857 13.125 4.878 489 HG3 LYS 74 2HG LYS 74 25.602 11.527 4.170 490 HD2 LYS 74 1HD LYS 74 25.875 12.418 1.925 491 HD3 LYS 74 2HD LYS 74 25.762 14.092 2.540 492 HE2 LYS 74 1HE LYS 74 27.746 13.692 3.966 493 HE3 LYS 74 2HE LYS 74 27.918 12.061 3.307 494 HZ1 LYS 74 3HZ LYS 74 29.357 13.760 2.321 495 HZ2 LYS 74 1HZ LYS 74 28.049 14.530 1.698 496 HZ3 LYS 74 2HZ LYS 74 28.429 12.986 1.200 497 H GLU 75 H GLU 75 22.801 9.892 1.653 498 HA GLU 75 HA GLU 75 23.168 11.589 -0.728 499 HB2 GLU 75 1HB GLU 75 22.713 8.592 -0.412 500 HB3 GLU 75 2HB GLU 75 22.738 9.444 -1.973 501 HG2 GLU 75 1HG GLU 75 25.028 10.294 -1.453 502 HG3 GLU 75 2HG GLU 75 25.022 9.326 0.024 503 H ARG 76 H ARG 76 21.271 11.156 -2.455 504 HA ARG 76 HA ARG 76 18.755 11.725 -0.969 505 HB2 ARG 76 1HB ARG 76 20.017 13.434 -2.570 506 HB3 ARG 76 2HB ARG 76 19.280 12.476 -3.862 507 HG2 ARG 76 1HG ARG 76 17.052 12.795 -2.588 508 HG3 ARG 76 2HG ARG 76 17.946 13.964 -1.584 509 HD2 ARG 76 1HD ARG 76 17.407 14.131 -4.554 510 HD3 ARG 76 2HD ARG 76 16.624 15.074 -3.290 511 HE ARG 76 HE ARG 76 18.721 16.130 -2.763 512 HH11 ARG 76 1HH1 ARG 76 18.369 14.748 -6.051 513 HH12 ARG 76 2HH1 ARG 76 19.494 15.847 -6.772 514 HH21 ARG 76 1HH2 ARG 76 20.410 17.405 -3.710 515 HH22 ARG 76 2HH2 ARG 76 20.729 17.297 -5.411 516 H ARG 77 H ARG 77 16.794 10.679 -1.662 517 HA ARG 77 HA ARG 77 17.079 8.557 -3.734 518 HB2 ARG 77 1HB ARG 77 16.257 8.332 -0.860 519 HB3 ARG 77 2HB ARG 77 15.210 7.508 -1.989 520 HG2 ARG 77 1HG ARG 77 18.215 7.051 -2.022 521 HG3 ARG 77 2HG ARG 77 17.133 6.210 -0.924 522 HD2 ARG 77 1HD ARG 77 17.274 4.693 -2.660 523 HD3 ARG 77 2HD ARG 77 15.770 5.535 -3.018 524 HE ARG 77 HE ARG 77 18.276 6.493 -4.321 525 HH11 ARG 77 1HH1 ARG 77 15.479 4.295 -4.634 526 HH12 ARG 77 2HH1 ARG 77 15.436 4.355 -6.341 527 HH21 ARG 77 1HH2 ARG 77 18.471 6.294 -6.492 528 HH22 ARG 77 2HH2 ARG 77 17.340 5.358 -7.460 529 H THR 78 H THR 78 14.963 7.873 -4.550 530 HA THR 78 HA THR 78 12.769 9.743 -4.067 531 HB THR 78 HB THR 78 13.412 8.337 -6.688 532 HG1 THR 78 1HG THR 78 13.281 10.741 -7.274 533 HG21 THR 78 3HG2 THR 78 11.013 8.318 -6.393 534 HG22 THR 78 1HG2 THR 78 11.399 9.615 -7.534 535 HG23 THR 78 2HG2 THR 78 10.994 9.996 -5.842 536 H GLY 79 H GLY 79 11.356 8.572 -2.824 537 HA2 GLY 79 1HA GLY 79 11.559 5.641 -2.585 538 HA3 GLY 79 2HA GLY 79 10.378 6.707 -1.795 539 H LEU 80 H LEU 80 9.801 4.183 -3.235 540 HA LEU 80 HA LEU 80 7.572 5.320 -4.777 541 HB2 LEU 80 1HB LEU 80 9.566 4.927 -6.367 542 HB3 LEU 80 2HB LEU 80 9.385 3.212 -5.990 543 HG LEU 80 HG LEU 80 6.993 3.367 -6.845 544 HD11 LEU 80 1HD1 LEU 80 7.939 6.039 -8.000 545 HD12 LEU 80 2HD1 LEU 80 6.737 5.876 -6.705 546 HD13 LEU 80 3HD1 LEU 80 6.366 5.239 -8.296 547 HD21 LEU 80 3HD2 LEU 80 8.853 2.460 -8.170 548 HD22 LEU 80 1HD2 LEU 80 9.243 4.084 -8.772 549 HD23 LEU 80 2HD2 LEU 80 7.690 3.318 -9.201 550 H VAL 81 H VAL 81 5.871 4.352 -3.722 551 HA VAL 81 HA VAL 81 5.993 1.400 -3.290 552 HB VAL 81 HB VAL 81 4.906 3.456 -1.316 553 HG11 VAL 81 1HG1 VAL 81 5.018 0.477 -0.895 554 HG12 VAL 81 2HG1 VAL 81 4.384 1.704 0.194 555 HG13 VAL 81 3HG1 VAL 81 3.536 1.362 -1.324 556 HG21 VAL 81 3HG2 VAL 81 7.349 3.290 -1.230 557 HG22 VAL 81 1HG2 VAL 81 6.670 2.477 0.181 558 HG23 VAL 81 2HG2 VAL 81 7.262 1.522 -1.192 559 H THR 82 H THR 82 4.349 0.426 -4.321 560 HA THR 82 HA THR 82 2.102 2.059 -5.343 561 HB THR 82 HB THR 82 2.545 -0.930 -5.685 562 HG1 THR 82 1HG THR 82 3.630 1.187 -7.270 563 HG21 THR 82 3HG2 THR 82 1.318 -0.561 -7.800 564 HG22 THR 82 1HG2 THR 82 1.188 1.169 -7.410 565 HG23 THR 82 2HG2 THR 82 0.355 -0.047 -6.408 566 H LEU 83 H LEU 83 0.067 1.975 -4.465 567 HA LEU 83 HA LEU 83 -0.537 -0.153 -2.468 568 HB2 LEU 83 1HB LEU 83 -2.451 1.410 -1.798 569 HB3 LEU 83 2HB LEU 83 -0.854 1.720 -1.164 570 HG LEU 83 HG LEU 83 -1.664 3.173 -3.649 571 HD11 LEU 83 1HD1 LEU 83 -2.639 3.842 -0.836 572 HD12 LEU 83 2HD1 LEU 83 -3.637 3.490 -2.259 573 HD13 LEU 83 3HD1 LEU 83 -2.682 4.978 -2.195 574 HD21 LEU 83 3HD2 LEU 83 -0.222 4.913 -2.764 575 HD22 LEU 83 1HD2 LEU 83 0.642 3.387 -2.531 576 HD23 LEU 83 2HD2 LEU 83 -0.179 4.125 -1.164 577 H LYS 84 H LYS 84 -2.485 -1.231 -2.686 578 HA LYS 84 HA LYS 84 -4.172 -0.637 -5.026 579 HB2 LYS 84 1HB LYS 84 -2.439 -2.566 -5.491 580 HB3 LYS 84 2HB LYS 84 -3.458 -3.503 -4.384 581 HG2 LYS 84 1HG LYS 84 -5.441 -2.970 -5.872 582 HG3 LYS 84 2HG LYS 84 -4.322 -2.127 -6.964 583 HD2 LYS 84 1HD LYS 84 -3.020 -4.312 -7.138 584 HD3 LYS 84 2HD LYS 84 -4.350 -5.084 -6.256 585 HE2 LYS 84 1HE LYS 84 -5.927 -4.374 -8.051 586 HE3 LYS 84 2HE LYS 84 -4.575 -3.625 -8.927 587 HZ1 LYS 84 3HZ LYS 84 -5.037 -5.870 -9.755 588 HZ2 LYS 84 1HZ LYS 84 -4.809 -6.497 -8.266 589 HZ3 LYS 84 2HZ LYS 84 -3.544 -5.846 -9.033 590 H GLN 85 H GLN 85 -6.263 -1.113 -4.572 591 HA GLN 85 HA GLN 85 -7.025 -1.029 -1.759 592 HB2 GLN 85 1HB GLN 85 -8.105 0.251 -3.713 593 HB3 GLN 85 2HB GLN 85 -8.709 -1.298 -4.275 594 HG2 GLN 85 1HG GLN 85 -9.959 -1.539 -2.071 595 HG3 GLN 85 2HG GLN 85 -9.465 0.105 -1.661 596 HE21 GLN 85 1HE2 GLN 85 -10.119 1.819 -3.190 597 HE22 GLN 85 2HE2 GLN 85 -11.698 1.621 -3.961 598 H ASP 86 H ASP 86 -8.431 -2.587 -0.757 599 HA ASP 86 HA ASP 86 -8.148 -5.314 -1.061 600 HB2 ASP 86 1HB ASP 86 -9.308 -4.195 0.839 601 HB3 ASP 86 2HB ASP 86 -10.652 -3.770 -0.234 602 H GLU 87 H GLU 87 -10.282 -3.233 -2.933 603 HA GLU 87 HA GLU 87 -11.294 -5.619 -4.411 604 HB2 GLU 87 1HB GLU 87 -12.769 -3.217 -3.347 605 HB3 GLU 87 2HB GLU 87 -13.407 -4.183 -4.664 606 HG2 GLU 87 1HG GLU 87 -12.630 -6.024 -2.595 607 HG3 GLU 87 2HG GLU 87 -13.491 -4.693 -1.819 608 H SER 88 H SER 88 -10.384 -2.241 -4.688 609 HA SER 88 HA SER 88 -10.973 -2.263 -7.567 610 HB2 SER 88 1HB SER 88 -11.577 -0.328 -6.103 611 HB3 SER 88 2HB SER 88 -9.849 0.029 -5.910 612 HG SER 88 HG SER 88 -11.390 -0.034 -8.295 613 H GLY 89 H GLY 89 -8.785 -0.360 -8.125 614 HA2 GLY 89 1HA GLY 89 -6.315 -1.858 -8.038 615 HA3 GLY 89 2HA GLY 89 -7.172 -2.214 -9.534 616 H LYS 90 H LYS 90 -7.685 1.124 -8.452 617 HA LYS 90 HA LYS 90 -5.937 2.165 -10.547 618 HB2 LYS 90 1HB LYS 90 -7.633 3.404 -8.335 619 HB3 LYS 90 2HB LYS 90 -6.537 4.320 -9.366 620 HG2 LYS 90 1HG LYS 90 -8.756 4.494 -10.177 621 HG3 LYS 90 2HG LYS 90 -7.729 3.648 -11.347 622 HD2 LYS 90 1HD LYS 90 -8.816 1.544 -10.841 623 HD3 LYS 90 2HD LYS 90 -9.742 2.270 -9.509 624 HE2 LYS 90 1HE LYS 90 -9.913 3.405 -12.321 625 HE3 LYS 90 2HE LYS 90 -10.810 1.938 -11.924 626 HZ1 LYS 90 3HZ LYS 90 -12.041 3.036 -10.323 627 HZ2 LYS 90 1HZ LYS 90 -12.082 3.970 -11.648 628 HZ3 LYS 90 2HZ LYS 90 -11.133 4.426 -10.355 629 H THR 91 H THR 91 -3.848 1.537 -10.039 630 HA THR 91 HA THR 91 -3.021 1.453 -7.261 631 HB THR 91 HB THR 91 -0.739 1.066 -8.320 632 HG1 THR 91 1HG THR 91 -0.547 0.974 -10.320 633 HG21 THR 91 3HG2 THR 91 -3.031 -0.837 -8.980 634 HG22 THR 91 1HG2 THR 91 -2.158 -0.746 -7.433 635 HG23 THR 91 2HG2 THR 91 -1.304 -1.263 -8.898 636 H LEU 92 H LEU 92 -2.483 3.165 -6.008 637 HA LEU 92 HA LEU 92 -1.886 5.823 -7.242 638 HB2 LEU 92 1HB LEU 92 -2.672 4.814 -4.569 639 HB3 LEU 92 2HB LEU 92 -1.436 6.074 -4.565 640 HG LEU 92 HG LEU 92 -2.923 7.562 -5.827 641 HD11 LEU 92 1HD1 LEU 92 -4.982 5.322 -5.600 642 HD12 LEU 92 2HD1 LEU 92 -4.263 5.916 -7.109 643 HD13 LEU 92 3HD1 LEU 92 -5.317 6.970 -6.146 644 HD21 LEU 92 3HD2 LEU 92 -4.553 7.950 -4.008 645 HD22 LEU 92 1HD2 LEU 92 -2.949 7.566 -3.358 646 HD23 LEU 92 2HD2 LEU 92 -4.220 6.333 -3.363 647 H SER 93 H SER 93 -0.008 6.535 -7.517 648 HA SER 93 HA SER 93 2.378 4.975 -6.725 649 HB2 SER 93 1HB SER 93 2.490 5.451 -9.016 650 HB3 SER 93 2HB SER 93 1.792 7.054 -8.821 651 HG SER 93 HG SER 93 3.694 7.796 -7.998 652 H LEU 94 H LEU 94 4.016 6.128 -5.529 653 HA LEU 94 HA LEU 94 3.179 8.562 -4.084 654 HB2 LEU 94 1HB LEU 94 2.302 6.295 -3.039 655 HB3 LEU 94 2HB LEU 94 3.966 6.082 -2.512 656 HG LEU 94 HG LEU 94 2.110 8.430 -1.902 657 HD11 LEU 94 1HD1 LEU 94 1.604 6.253 -0.790 658 HD12 LEU 94 2HD1 LEU 94 2.096 7.497 0.355 659 HD13 LEU 94 3HD1 LEU 94 3.250 6.230 -0.112 660 HD21 LEU 94 3HD2 LEU 94 3.822 9.273 -0.371 661 HD22 LEU 94 1HD2 LEU 94 4.494 9.251 -1.966 662 HD23 LEU 94 2HD2 LEU 94 4.914 7.962 -0.792 663 H LYS 95 H LYS 95 4.952 9.721 -4.742 664 HA LYS 95 HA LYS 95 7.625 8.463 -4.492 665 HB2 LYS 95 1HB LYS 95 6.628 10.759 -6.202 666 HB3 LYS 95 2HB LYS 95 8.327 10.299 -6.085 667 HG2 LYS 95 1HG LYS 95 8.004 8.296 -7.290 668 HG3 LYS 95 2HG LYS 95 6.281 8.248 -6.949 669 HD2 LYS 95 1HD LYS 95 6.337 8.728 -9.185 670 HD3 LYS 95 2HD LYS 95 5.984 10.283 -8.440 671 HE2 LYS 95 1HE LYS 95 8.377 10.947 -8.747 672 HE3 LYS 95 2HE LYS 95 8.719 9.351 -9.446 673 HZ1 LYS 95 3HZ LYS 95 8.358 10.857 -11.252 674 HZ2 LYS 95 1HZ LYS 95 6.970 11.443 -10.597 675 HZ3 LYS 95 2HZ LYS 95 6.983 9.943 -11.160 676 H ILE 96 H ILE 96 9.144 9.704 -3.320 677 HA ILE 96 HA ILE 96 8.371 12.305 -2.177 678 HB ILE 96 HB ILE 96 9.721 10.139 -0.511 679 HG12 ILE 96 1HG1 ILE 96 7.477 10.600 0.954 680 HG13 ILE 96 2HG1 ILE 96 6.779 10.732 -0.646 681 HG21 ILE 96 1HG2 ILE 96 8.644 12.868 0.301 682 HG22 ILE 96 2HG2 ILE 96 9.450 11.693 1.360 683 HG23 ILE 96 3HG2 ILE 96 10.359 12.449 0.061 684 HD11 ILE 96 3HD1 ILE 96 7.610 8.446 -1.186 685 HD12 ILE 96 1HD1 ILE 96 8.483 8.399 0.366 686 HD13 ILE 96 2HD1 ILE 96 6.727 8.417 0.358 687 H VAL 97 H VAL 97 10.234 13.673 -2.519 688 HA VAL 97 HA VAL 97 12.818 12.258 -3.038 689 HB VAL 97 HB VAL 97 11.929 14.829 -4.367 690 HG11 VAL 97 1HG1 VAL 97 14.229 12.912 -4.963 691 HG12 VAL 97 2HG1 VAL 97 13.859 14.417 -5.845 692 HG13 VAL 97 3HG1 VAL 97 14.387 14.483 -4.158 693 HG21 VAL 97 3HG2 VAL 97 10.485 13.105 -5.267 694 HG22 VAL 97 1HG2 VAL 97 11.719 13.495 -6.467 695 HG23 VAL 97 2HG2 VAL 97 11.875 12.021 -5.488 696 H GLN 98 H GLN 98 13.185 12.379 -0.805 697 HA GLN 98 HA GLN 98 13.176 14.987 0.565 698 HB2 GLN 98 1HB GLN 98 13.789 13.550 2.553 699 HB3 GLN 98 2HB GLN 98 12.264 13.078 1.812 700 HG2 GLN 98 1HG GLN 98 13.221 11.146 0.806 701 HG3 GLN 98 2HG GLN 98 14.877 11.684 1.078 702 HE21 GLN 98 1HE2 GLN 98 15.696 11.771 3.322 703 HE22 GLN 98 2HE2 GLN 98 15.025 10.632 4.475 704 HA PRO 99 HA PRO 99 17.792 15.114 0.503 705 HB2 PRO 99 1HB PRO 99 18.355 16.277 2.890 706 HB3 PRO 99 2HB PRO 99 17.548 17.200 1.582 707 HG2 PRO 99 1HG PRO 99 16.215 15.747 3.908 708 HG3 PRO 99 2HG PRO 99 16.038 17.470 3.454 709 HD2 PRO 99 1HD PRO 99 14.266 15.647 2.578 710 HD3 PRO 99 2HD PRO 99 14.855 16.920 1.484 711 H GLY 100 H GLY 100 19.578 14.407 2.213 712 HA2 GLY 100 1HA GLY 100 18.637 11.993 3.559 713 HA3 GLY 100 2HA GLY 100 20.171 12.105 2.694 714 H LYS 101 H LYS 101 19.601 11.427 5.424 715 HA LYS 101 HA LYS 101 19.966 13.706 7.180 716 HB2 LYS 101 1HB LYS 101 18.456 11.695 7.485 717 HB3 LYS 101 2HB LYS 101 19.903 10.725 7.766 718 HG2 LYS 101 1HG LYS 101 20.346 12.486 9.693 719 HG3 LYS 101 2HG LYS 101 18.626 12.847 9.518 720 HD2 LYS 101 1HD LYS 101 19.862 10.102 10.023 721 HD3 LYS 101 2HD LYS 101 19.175 11.121 11.265 722 HE2 LYS 101 1HE LYS 101 17.483 10.202 8.906 723 HE3 LYS 101 2HE LYS 101 17.816 9.123 10.262 724 HZ1 LYS 101 3HZ LYS 101 15.790 10.191 10.662 725 HZ2 LYS 101 1HZ LYS 101 16.390 11.694 10.426 726 HZ3 LYS 101 2HZ LYS 101 16.861 10.769 11.752 727 H THR 102 H THR 102 21.793 14.310 8.233 728 HA THR 102 HA THR 102 23.586 12.270 9.176 729 HB THR 102 HB THR 102 25.517 14.107 8.806 730 HG1 THR 102 1HG THR 102 23.750 14.357 6.687 731 HG21 THR 102 3HG2 THR 102 25.764 11.684 8.425 732 HG22 THR 102 1HG2 THR 102 26.542 12.634 7.155 733 HG23 THR 102 2HG2 THR 102 24.987 11.847 6.834 734 H SER 103 H SER 103 22.479 12.705 11.061 735 HA SER 103 HA SER 103 23.023 15.343 12.272 736 HB2 SER 103 1HB SER 103 20.453 13.847 12.459 737 HB3 SER 103 2HB SER 103 20.735 15.505 12.978 738 HG SER 103 HG SER 103 19.871 15.803 10.995 739 H ILE 104 H ILE 104 22.575 15.159 14.827 740 HA ILE 104 HA ILE 104 23.833 12.626 15.754 741 HB ILE 104 HB ILE 104 23.213 15.025 17.497 742 HG12 ILE 104 1HG1 ILE 104 25.773 14.423 15.934 743 HG13 ILE 104 2HG1 ILE 104 24.710 15.815 15.706 744 HG21 ILE 104 1HG2 ILE 104 25.252 12.745 17.757 745 HG22 ILE 104 2HG2 ILE 104 24.784 13.922 19.010 746 HG23 ILE 104 3HG2 ILE 104 23.641 12.698 18.487 747 HD11 ILE 104 3HD1 ILE 104 26.446 15.270 18.134 748 HD12 ILE 104 1HD1 ILE 104 26.621 16.554 16.932 749 HD13 ILE 104 2HD1 ILE 104 25.229 16.569 18.037 750 H ASP 105 H ASP 105 21.991 11.628 14.882 751 HA ASP 105 HA ASP 105 19.306 12.104 15.993 752 HB2 ASP 105 1HB ASP 105 19.941 12.074 13.511 753 HB3 ASP 105 2HB ASP 105 20.242 10.356 13.669 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -32.768 -8.879 -4.905 2 HA2 GLY 1 1HA GLY 1 -35.733 -9.108 -5.109 3 HA3 GLY 1 2HA GLY 1 -34.880 -7.848 -4.180 4 H HIS 2 H HIS 2 -36.097 -6.258 -5.654 5 HA HIS 2 HA HIS 2 -35.272 -5.976 -8.395 6 HB2 HIS 2 1HB HIS 2 -36.123 -3.836 -6.397 7 HB3 HIS 2 2HB HIS 2 -36.095 -3.695 -8.153 8 HD1 HIS 2 1HD HIS 2 -38.017 -5.346 -9.460 9 HD2 HIS 2 2HD HIS 2 -38.319 -4.746 -5.290 10 HE1 HIS 2 1HE HIS 2 -40.335 -6.144 -8.762 11 H MET 3 H MET 3 -33.148 -5.625 -8.999 12 HA MET 3 HA MET 3 -31.327 -4.013 -7.398 13 HB2 MET 3 1HB MET 3 -30.869 -6.971 -8.055 14 HB3 MET 3 2HB MET 3 -29.608 -5.857 -7.513 15 HG2 MET 3 1HG MET 3 -30.732 -5.540 -5.370 16 HG3 MET 3 2HG MET 3 -32.095 -6.519 -5.901 17 HE1 MET 3 3HE MET 3 -28.189 -7.366 -6.363 18 HE2 MET 3 1HE MET 3 -28.381 -6.475 -4.842 19 HE3 MET 3 2HE MET 3 -27.934 -8.193 -4.812 20 H GLY 4 H GLY 4 -29.427 -3.512 -8.780 21 HA2 GLY 4 1HA GLY 4 -28.418 -3.710 -11.080 22 HA3 GLY 4 2HA GLY 4 -30.082 -3.679 -11.690 23 H SER 5 H SER 5 -27.409 -1.717 -10.691 24 HA SER 5 HA SER 5 -28.791 0.725 -11.225 25 HB2 SER 5 1HB SER 5 -28.086 1.540 -8.788 26 HB3 SER 5 2HB SER 5 -29.659 0.795 -9.089 27 HG SER 5 HG SER 5 -28.850 -0.186 -7.316 28 HA PRO 6 HA PRO 6 -24.480 1.655 -11.961 29 HB2 PRO 6 1HB PRO 6 -24.352 4.381 -11.747 30 HB3 PRO 6 2HB PRO 6 -25.094 3.490 -13.104 31 HG2 PRO 6 1HG PRO 6 -26.451 4.647 -10.631 32 HG3 PRO 6 2HG PRO 6 -26.943 4.885 -12.334 33 HD2 PRO 6 1HD PRO 6 -28.105 3.037 -10.712 34 HD3 PRO 6 2HD PRO 6 -27.813 2.676 -12.441 35 H VAL 7 H VAL 7 -22.977 1.118 -10.595 36 HA VAL 7 HA VAL 7 -23.022 2.055 -7.776 37 HB VAL 7 HB VAL 7 -21.449 -0.214 -9.051 38 HG11 VAL 7 1HG1 VAL 7 -21.004 -0.878 -6.702 39 HG12 VAL 7 2HG1 VAL 7 -20.345 0.731 -7.047 40 HG13 VAL 7 3HG1 VAL 7 -21.844 0.583 -6.129 41 HG21 VAL 7 3HG2 VAL 7 -23.804 -0.417 -7.146 42 HG22 VAL 7 1HG2 VAL 7 -23.959 -0.619 -8.896 43 HG23 VAL 7 2HG2 VAL 7 -22.942 -1.729 -8.008 44 H SER 8 H SER 8 -21.695 3.676 -7.321 45 HA SER 8 HA SER 8 -19.749 4.577 -9.396 46 HB2 SER 8 1HB SER 8 -20.911 6.098 -7.028 47 HB3 SER 8 2HB SER 8 -19.912 6.752 -8.341 48 HG SER 8 HG SER 8 -21.836 5.697 -9.630 49 H TYR 9 H TYR 9 -17.880 3.429 -8.901 50 HA TYR 9 HA TYR 9 -16.953 3.324 -6.100 51 HB2 TYR 9 1HB TYR 9 -16.008 2.244 -8.727 52 HB3 TYR 9 2HB TYR 9 -14.822 2.601 -7.488 53 HD1 TYR 9 2HD TYR 9 -18.229 1.022 -7.555 54 HD2 TYR 9 1HD TYR 9 -14.248 0.989 -6.008 55 HE1 TYR 9 2HE TYR 9 -18.743 -1.065 -6.412 56 HE2 TYR 9 1HE TYR 9 -14.685 -1.100 -4.816 57 HH TYR 9 HH TYR 9 -17.621 -3.007 -5.205 58 H TYR 10 H TYR 10 -15.055 4.293 -5.379 59 HA TYR 10 HA TYR 10 -14.102 6.700 -6.818 60 HB2 TYR 10 1HB TYR 10 -14.813 6.407 -3.872 61 HB3 TYR 10 2HB TYR 10 -13.938 7.745 -4.598 62 HD1 TYR 10 2HD TYR 10 -17.258 5.955 -4.796 63 HD2 TYR 10 1HD TYR 10 -15.104 9.646 -5.371 64 HE1 TYR 10 2HE TYR 10 -19.384 7.117 -5.306 65 HE2 TYR 10 1HE TYR 10 -17.241 10.820 -5.774 66 HH TYR 10 HH TYR 10 -20.290 9.252 -6.325 67 H PHE 11 H PHE 11 -12.159 6.014 -7.420 68 HA PHE 11 HA PHE 11 -10.240 4.933 -5.443 69 HB2 PHE 11 1HB PHE 11 -9.236 3.577 -7.401 70 HB3 PHE 11 2HB PHE 11 -10.655 2.942 -6.640 71 HD1 PHE 11 1HD PHE 11 -12.786 2.851 -7.719 72 HD2 PHE 11 2HD PHE 11 -9.370 4.359 -9.808 73 HE1 PHE 11 1HE PHE 11 -14.073 2.772 -9.888 74 HE2 PHE 11 2HE PHE 11 -10.592 4.246 -11.951 75 HZ PHE 11 HZ PHE 11 -12.962 3.493 -11.992 76 H SER 12 H SER 12 -10.089 7.419 -5.342 77 HA SER 12 HA SER 12 -7.691 7.906 -6.568 78 HB2 SER 12 1HB SER 12 -8.115 9.931 -7.877 79 HB3 SER 12 2HB SER 12 -9.014 8.599 -8.565 80 HG SER 12 HG SER 12 -10.026 10.789 -7.115 81 H TYR 13 H TYR 13 -7.165 10.616 -6.125 82 HA TYR 13 HA TYR 13 -7.817 11.157 -3.338 83 HB2 TYR 13 1HB TYR 13 -6.583 12.697 -5.638 84 HB3 TYR 13 2HB TYR 13 -6.958 13.474 -4.100 85 HD1 TYR 13 2HD TYR 13 -4.827 10.770 -5.632 86 HD2 TYR 13 1HD TYR 13 -5.635 13.239 -2.172 87 HE1 TYR 13 2HE TYR 13 -2.505 10.365 -4.818 88 HE2 TYR 13 1HE TYR 13 -3.317 12.820 -1.372 89 HH TYR 13 HH TYR 13 -1.197 12.351 -2.304 90 H ALA 14 H ALA 14 -8.967 13.325 -2.867 91 HA ALA 14 HA ALA 14 -11.308 13.678 -4.691 92 HB1 ALA 14 1HB ALA 14 -11.075 14.235 -1.696 93 HB2 ALA 14 2HB ALA 14 -12.504 14.531 -2.695 94 HB3 ALA 14 3HB ALA 14 -11.939 12.867 -2.443 95 H ASP 15 H ASP 15 -8.402 15.183 -3.825 96 HA ASP 15 HA ASP 15 -9.261 17.633 -5.122 97 HB2 ASP 15 1HB ASP 15 -10.026 18.070 -2.813 98 HB3 ASP 15 2HB ASP 15 -8.393 17.753 -2.224 99 H GLY 16 H GLY 16 -7.641 15.996 -6.231 100 HA2 GLY 16 1HA GLY 16 -5.143 17.417 -6.387 101 HA3 GLY 16 2HA GLY 16 -4.897 15.948 -5.455 102 H GLY 17 H GLY 17 -5.092 13.893 -6.490 103 HA2 GLY 17 1HA GLY 17 -5.562 13.595 -9.323 104 HA3 GLY 17 2HA GLY 17 -3.866 13.929 -8.982 105 H THR 18 H THR 18 -2.710 12.154 -8.842 106 HA THR 18 HA THR 18 -3.801 9.629 -7.849 107 HB THR 18 HB THR 18 -3.200 8.398 -9.822 108 HG1 THR 18 1HG THR 18 -1.708 9.166 -10.915 109 HG21 THR 18 3HG2 THR 18 -5.451 9.457 -9.891 110 HG22 THR 18 1HG2 THR 18 -4.737 9.162 -11.480 111 HG23 THR 18 2HG2 THR 18 -4.770 10.807 -10.805 112 H SER 19 H SER 19 -1.509 11.636 -7.128 113 HA SER 19 HA SER 19 -0.137 9.357 -6.054 114 HB2 SER 19 1HB SER 19 1.032 9.603 -8.302 115 HB3 SER 19 2HB SER 19 1.528 11.232 -7.854 116 HG SER 19 HG SER 19 2.767 10.252 -6.122 117 H HIS 20 H HIS 20 1.167 9.755 -4.414 118 HA HIS 20 HA HIS 20 1.269 12.500 -3.364 119 HB2 HIS 20 1HB HIS 20 2.315 11.065 -1.359 120 HB3 HIS 20 2HB HIS 20 0.647 11.569 -1.491 121 HD1 HIS 20 1HD HIS 20 -1.014 9.636 -2.661 122 HD2 HIS 20 2HD HIS 20 2.447 8.543 -0.635 123 HE1 HIS 20 1HE HIS 20 -1.287 7.126 -2.084 124 H THR 21 H THR 21 3.131 13.486 -3.202 125 HA THR 21 HA THR 21 5.656 12.220 -3.863 126 HB THR 21 HB THR 21 4.871 14.928 -5.035 127 HG1 THR 21 1HG THR 21 4.400 14.061 -6.907 128 HG21 THR 21 3HG2 THR 21 6.749 14.511 -6.569 129 HG22 THR 21 1HG2 THR 21 7.109 12.993 -5.762 130 HG23 THR 21 2HG2 THR 21 7.285 14.511 -4.883 131 H GLU 22 H GLU 22 7.392 13.749 -2.693 132 HA GLU 22 HA GLU 22 6.312 16.142 -1.732 133 HB2 GLU 22 1HB GLU 22 5.945 14.144 0.139 134 HB3 GLU 22 2HB GLU 22 7.608 14.603 0.510 135 HG2 GLU 22 1HG GLU 22 6.113 15.911 1.883 136 HG3 GLU 22 2HG GLU 22 6.851 16.983 0.673 137 H TYR 23 H TYR 23 8.093 17.585 -1.099 138 HA TYR 23 HA TYR 23 10.756 16.599 -1.989 139 HB2 TYR 23 1HB TYR 23 9.387 19.195 -2.789 140 HB3 TYR 23 2HB TYR 23 11.047 18.754 -3.158 141 HD1 TYR 23 2HD TYR 23 11.583 17.024 -4.790 142 HD2 TYR 23 1HD TYR 23 7.516 18.156 -4.020 143 HE1 TYR 23 2HE TYR 23 10.910 15.987 -6.932 144 HE2 TYR 23 1HE TYR 23 6.785 17.094 -6.113 145 HH TYR 23 HH TYR 23 7.493 16.088 -8.053 146 HA PRO 24 HA PRO 24 10.764 19.116 1.960 147 HB2 PRO 24 1HB PRO 24 11.511 17.261 3.852 148 HB3 PRO 24 2HB PRO 24 9.811 17.597 3.384 149 HG2 PRO 24 1HG PRO 24 11.615 15.396 2.432 150 HG3 PRO 24 2HG PRO 24 9.908 15.265 2.956 151 HD2 PRO 24 1HD PRO 24 10.633 15.404 0.307 152 HD3 PRO 24 2HD PRO 24 9.121 16.144 0.947 153 H ASP 25 H ASP 25 12.792 19.196 3.598 154 HA ASP 25 HA ASP 25 15.301 18.552 2.419 155 HB2 ASP 25 1HB ASP 25 14.380 20.519 0.979 156 HB3 ASP 25 2HB ASP 25 14.636 21.523 2.408 157 H ASP 26 H ASP 26 17.066 19.663 3.904 158 HA ASP 26 HA ASP 26 17.929 20.185 5.840 159 HB2 ASP 26 1HB ASP 26 16.551 22.220 5.764 160 HB3 ASP 26 2HB ASP 26 15.244 21.415 6.630 161 H SER 27 H SER 27 14.684 19.452 7.101 162 HA SER 27 HA SER 27 14.873 16.722 7.263 163 HB2 SER 27 1HB SER 27 15.453 18.180 9.837 164 HB3 SER 27 2HB SER 27 14.602 16.668 9.874 165 HG SER 27 HG SER 27 16.309 15.651 8.842 166 H SER 28 H SER 28 12.713 16.763 6.496 167 HA SER 28 HA SER 28 10.732 17.646 8.531 168 HB2 SER 28 1HB SER 28 10.401 18.094 5.565 169 HB3 SER 28 2HB SER 28 9.312 18.658 6.837 170 HG SER 28 HG SER 28 11.246 19.990 5.743 171 H ALA 29 H ALA 29 11.792 15.046 7.822 172 HA ALA 29 HA ALA 29 9.582 13.528 6.553 173 HB1 ALA 29 1HB ALA 29 10.796 11.518 7.422 174 HB2 ALA 29 2HB ALA 29 11.787 12.555 6.382 175 HB3 ALA 29 3HB ALA 29 11.996 12.586 8.159 176 H GLY 30 H GLY 30 7.945 12.224 7.653 177 HA2 GLY 30 1HA GLY 30 7.795 11.849 10.400 178 HA3 GLY 30 2HA GLY 30 6.984 13.388 10.004 179 H SER 31 H SER 31 5.002 12.289 10.694 180 HA SER 31 HA SER 31 3.818 10.532 8.627 181 HB2 SER 31 1HB SER 31 2.340 9.894 10.703 182 HB3 SER 31 2HB SER 31 3.896 9.127 10.431 183 HG SER 31 HG SER 31 3.183 10.223 12.582 184 H PHE 32 H PHE 32 2.412 11.545 7.490 185 HA PHE 32 HA PHE 32 0.528 13.479 8.762 186 HB2 PHE 32 1HB PHE 32 0.482 14.682 6.587 187 HB3 PHE 32 2HB PHE 32 2.032 14.737 7.395 188 HD1 PHE 32 1HD PHE 32 3.982 13.553 6.530 189 HD2 PHE 32 2HD PHE 32 0.215 13.474 4.430 190 HE1 PHE 32 1HE PHE 32 5.138 12.783 4.514 191 HE2 PHE 32 2HE PHE 32 1.397 12.670 2.387 192 HZ PHE 32 HZ PHE 32 3.845 12.333 2.405 193 H ILE 33 H ILE 33 -1.350 13.786 6.931 194 HA ILE 33 HA ILE 33 -2.423 11.156 6.165 195 HB ILE 33 HB ILE 33 -3.815 13.315 7.836 196 HG12 ILE 33 1HG1 ILE 33 -2.796 10.523 8.493 197 HG13 ILE 33 2HG1 ILE 33 -2.290 12.045 9.221 198 HG21 ILE 33 1HG2 ILE 33 -5.413 12.282 6.257 199 HG22 ILE 33 2HG2 ILE 33 -4.949 10.660 6.844 200 HG23 ILE 33 3HG2 ILE 33 -5.770 11.824 7.900 201 HD11 ILE 33 3HD1 ILE 33 -4.518 12.307 10.259 202 HD12 ILE 33 1HD1 ILE 33 -4.948 10.674 9.688 203 HD13 ILE 33 2HD1 ILE 33 -3.605 10.893 10.817 204 H LEU 34 H LEU 34 -4.075 11.481 4.451 205 HA LEU 34 HA LEU 34 -3.874 14.038 2.943 206 HB2 LEU 34 1HB LEU 34 -3.544 11.205 1.860 207 HB3 LEU 34 2HB LEU 34 -3.647 12.645 0.866 208 HG LEU 34 HG LEU 34 -1.409 12.231 2.888 209 HD11 LEU 34 1HD1 LEU 34 -1.365 10.413 1.276 210 HD12 LEU 34 2HD1 LEU 34 -0.034 11.534 0.958 211 HD13 LEU 34 3HD1 LEU 34 -1.488 11.559 -0.071 212 HD21 LEU 34 3HD2 LEU 34 -1.757 14.579 2.191 213 HD22 LEU 34 1HD2 LEU 34 -1.721 14.090 0.478 214 HD23 LEU 34 2HD2 LEU 34 -0.273 13.955 1.485 215 H ASP 35 H ASP 35 -5.536 13.779 0.980 216 HA ASP 35 HA ASP 35 -8.106 12.713 2.074 217 HB2 ASP 35 1HB ASP 35 -7.528 15.025 0.201 218 HB3 ASP 35 2HB ASP 35 -9.143 14.346 0.509 219 H ILE 36 H ILE 36 -7.283 10.595 1.343 220 HA ILE 36 HA ILE 36 -7.556 10.145 -1.573 221 HB ILE 36 HB ILE 36 -6.326 8.479 0.644 222 HG12 ILE 36 1HG1 ILE 36 -5.149 9.645 -1.927 223 HG13 ILE 36 2HG1 ILE 36 -5.060 10.463 -0.374 224 HG21 ILE 36 1HG2 ILE 36 -6.787 7.720 -2.283 225 HG22 ILE 36 2HG2 ILE 36 -5.792 6.805 -1.127 226 HG23 ILE 36 3HG2 ILE 36 -7.517 6.939 -0.866 227 HD11 ILE 36 3HD1 ILE 36 -3.782 8.569 0.576 228 HD12 ILE 36 1HD1 ILE 36 -3.736 7.823 -1.041 229 HD13 ILE 36 2HD1 ILE 36 -2.976 9.404 -0.769 230 H THR 37 H THR 37 -9.216 8.891 -2.341 231 HA THR 37 HA THR 37 -11.494 8.511 -0.513 232 HB THR 37 HB THR 37 -11.660 8.447 -3.530 233 HG1 THR 37 1HG THR 37 -10.558 10.269 -3.334 234 HG21 THR 37 3HG2 THR 37 -13.640 8.020 -2.133 235 HG22 THR 37 1HG2 THR 37 -13.826 9.509 -3.072 236 HG23 THR 37 2HG2 THR 37 -13.419 9.601 -1.346 237 H SER 38 H SER 38 -12.193 6.390 -0.169 238 HA SER 38 HA SER 38 -11.610 4.354 -2.218 239 HB2 SER 38 1HB SER 38 -9.606 4.263 -0.848 240 HB3 SER 38 2HB SER 38 -10.573 4.127 0.630 241 HG SER 38 HG SER 38 -10.732 2.065 0.264 242 H TYR 39 H TYR 39 -13.962 4.559 -2.478 243 HA TYR 39 HA TYR 39 -15.299 2.731 -0.741 244 HB2 TYR 39 1HB TYR 39 -17.188 4.152 -0.044 245 HB3 TYR 39 2HB TYR 39 -15.687 4.752 0.608 246 HD1 TYR 39 2HD TYR 39 -18.422 5.450 -1.822 247 HD2 TYR 39 1HD TYR 39 -14.882 6.929 0.123 248 HE1 TYR 39 2HE TYR 39 -18.952 7.764 -2.582 249 HE2 TYR 39 1HE TYR 39 -15.428 9.220 -0.580 250 HH TYR 39 HH TYR 39 -16.673 10.417 -2.277 251 H LYS 40 H LYS 40 -17.679 2.453 -1.495 252 HA LYS 40 HA LYS 40 -18.080 3.149 -4.369 253 HB2 LYS 40 1HB LYS 40 -19.164 1.099 -4.752 254 HB3 LYS 40 2HB LYS 40 -17.498 0.853 -4.187 255 HG2 LYS 40 1HG LYS 40 -18.372 -0.750 -2.884 256 HG3 LYS 40 2HG LYS 40 -19.008 0.557 -1.877 257 HD2 LYS 40 1HD LYS 40 -21.039 0.620 -3.305 258 HD3 LYS 40 2HD LYS 40 -20.438 -0.732 -4.267 259 HE2 LYS 40 1HE LYS 40 -20.889 -0.904 -1.292 260 HE3 LYS 40 2HE LYS 40 -22.180 -1.203 -2.474 261 HZ1 LYS 40 3HZ LYS 40 -21.008 -3.258 -1.742 262 HZ2 LYS 40 1HZ LYS 40 -19.650 -2.752 -2.454 263 HZ3 LYS 40 2HZ LYS 40 -21.008 -3.040 -3.349 264 H LYS 41 H LYS 41 -20.081 4.030 -4.778 265 HA LYS 41 HA LYS 41 -21.971 4.439 -2.505 266 HB2 LYS 41 1HB LYS 41 -20.635 6.385 -3.376 267 HB3 LYS 41 2HB LYS 41 -21.433 6.196 -4.935 268 HG2 LYS 41 1HG LYS 41 -23.604 6.745 -3.889 269 HG3 LYS 41 2HG LYS 41 -22.814 6.832 -2.302 270 HD2 LYS 41 1HD LYS 41 -21.243 8.614 -3.435 271 HD3 LYS 41 2HD LYS 41 -22.480 8.691 -4.695 272 HE2 LYS 41 1HE LYS 41 -24.183 9.204 -2.918 273 HE3 LYS 41 2HE LYS 41 -22.904 9.123 -1.702 274 HZ1 LYS 41 3HZ LYS 41 -23.187 11.165 -3.824 275 HZ2 LYS 41 1HZ LYS 41 -21.814 11.009 -2.913 276 HZ3 LYS 41 2HZ LYS 41 -23.253 11.384 -2.224 277 H THR 42 H THR 42 -24.085 3.829 -2.902 278 HA THR 42 HA THR 42 -25.301 3.517 -5.429 279 HB THR 42 HB THR 42 -23.864 1.638 -5.844 280 HG1 THR 42 1HG THR 42 -26.359 0.653 -4.977 281 HG21 THR 42 3HG2 THR 42 -23.672 -0.332 -4.430 282 HG22 THR 42 1HG2 THR 42 -24.700 0.423 -3.188 283 HG23 THR 42 2HG2 THR 42 -23.110 1.111 -3.573 284 H GLY 43 H GLY 43 -27.562 2.738 -5.077 285 HA2 GLY 43 1HA GLY 43 -29.487 2.861 -3.913 286 HA3 GLY 43 2HA GLY 43 -28.689 1.883 -2.659 287 H ASN 44 H ASN 44 -28.189 2.883 -0.771 288 HA ASN 44 HA ASN 44 -28.371 5.823 -0.533 289 HB2 ASN 44 1HB ASN 44 -30.622 4.517 -0.167 290 HB3 ASN 44 2HB ASN 44 -29.889 4.017 1.370 291 HD21 ASN 44 1HD2 ASN 44 -32.295 5.631 1.014 292 HD22 ASN 44 2HD2 ASN 44 -31.942 7.176 1.768 293 H SER 45 H SER 45 -26.058 3.979 -0.519 294 HA SER 45 HA SER 45 -25.103 4.374 2.241 295 HB2 SER 45 1HB SER 45 -24.970 1.734 0.724 296 HB3 SER 45 2HB SER 45 -24.348 2.049 2.355 297 HG SER 45 HG SER 45 -26.471 2.431 3.031 298 H THR 46 H THR 46 -22.806 4.158 2.404 299 HA THR 46 HA THR 46 -21.273 3.935 -0.099 300 HB THR 46 HB THR 46 -19.567 5.475 1.088 301 HG1 THR 46 1HG THR 46 -21.956 6.536 2.200 302 HG21 THR 46 3HG2 THR 46 -22.101 6.635 -0.114 303 HG22 THR 46 1HG2 THR 46 -20.697 6.013 -1.017 304 HG23 THR 46 2HG2 THR 46 -20.530 7.446 0.006 305 H LYS 47 H LYS 47 -20.424 1.932 0.078 306 HA LYS 47 HA LYS 47 -19.510 0.940 2.734 307 HB2 LYS 47 1HB LYS 47 -20.572 -0.749 1.352 308 HB3 LYS 47 2HB LYS 47 -19.474 -0.394 0.009 309 HG2 LYS 47 1HG LYS 47 -17.561 -1.186 1.172 310 HG3 LYS 47 2HG LYS 47 -18.422 -1.293 2.708 311 HD2 LYS 47 1HD LYS 47 -19.114 -2.942 0.252 312 HD3 LYS 47 2HD LYS 47 -17.978 -3.495 1.472 313 HE2 LYS 47 1HE LYS 47 -20.822 -2.650 2.167 314 HE3 LYS 47 2HE LYS 47 -20.420 -4.298 1.665 315 HZ1 LYS 47 3HZ LYS 47 -19.486 -2.903 4.080 316 HZ2 LYS 47 1HZ LYS 47 -18.809 -4.311 3.560 317 HZ3 LYS 47 2HZ LYS 47 -20.388 -4.264 3.985 318 H ALA 48 H ALA 48 -17.559 1.575 3.372 319 HA ALA 48 HA ALA 48 -15.636 2.804 1.505 320 HB1 ALA 48 1HB ALA 48 -15.283 2.013 4.405 321 HB2 ALA 48 2HB ALA 48 -14.224 3.062 3.457 322 HB3 ALA 48 3HB ALA 48 -15.860 3.611 3.871 323 H LEU 49 H LEU 49 -13.648 1.794 0.915 324 HA LEU 49 HA LEU 49 -13.515 -1.154 1.382 325 HB2 LEU 49 1HB LEU 49 -12.511 0.554 -0.936 326 HB3 LEU 49 2HB LEU 49 -12.044 -1.082 -0.644 327 HG LEU 49 HG LEU 49 -13.580 -1.468 -2.183 328 HD11 LEU 49 1HD1 LEU 49 -15.483 -1.451 0.155 329 HD12 LEU 49 2HD1 LEU 49 -14.373 -2.768 -0.274 330 HD13 LEU 49 3HD1 LEU 49 -15.684 -2.313 -1.373 331 HD21 LEU 49 3HD2 LEU 49 -15.373 0.721 -1.220 332 HD22 LEU 49 1HD2 LEU 49 -15.519 -0.195 -2.732 333 HD23 LEU 49 2HD2 LEU 49 -14.118 0.884 -2.491 334 H SER 50 H SER 50 -11.618 -1.962 2.143 335 HA SER 50 HA SER 50 -9.606 -0.231 3.216 336 HB2 SER 50 1HB SER 50 -8.493 -2.700 3.260 337 HB3 SER 50 2HB SER 50 -9.677 -2.136 4.447 338 HG SER 50 HG SER 50 -10.441 -4.015 3.878 339 H TRP 51 H TRP 51 -7.329 -0.447 2.581 340 HA TRP 51 HA TRP 51 -6.751 -1.531 -0.051 341 HB2 TRP 51 1HB TRP 51 -5.576 0.421 -0.864 342 HB3 TRP 51 2HB TRP 51 -7.187 0.911 -0.448 343 HD1 TRP 51 HD TRP 51 -3.546 1.447 0.324 344 HE1 TRP 51 1HE TRP 51 -3.236 3.691 1.361 345 HE3 TRP 51 3HE TRP 51 -8.442 2.374 1.481 346 HZ2 TRP 51 2HZ TRP 51 -4.982 5.811 2.450 347 HZ3 TRP 51 3HZ TRP 51 -9.097 4.553 2.504 348 HH2 TRP 51 HH TRP 51 -7.377 6.285 2.956 349 H ASN 52 H ASN 52 -4.388 -1.940 -0.287 350 HA ASN 52 HA ASN 52 -2.938 -2.003 2.313 351 HB2 ASN 52 1HB ASN 52 -3.469 -4.392 0.497 352 HB3 ASN 52 2HB ASN 52 -2.251 -4.388 1.767 353 HD21 ASN 52 1HD2 ASN 52 -3.239 -3.607 4.059 354 HD22 ASN 52 2HD2 ASN 52 -4.832 -4.265 4.401 355 H ALA 53 H ALA 53 -0.592 -2.203 1.987 356 HA ALA 53 HA ALA 53 0.311 -1.238 -0.666 357 HB1 ALA 53 1HB ALA 53 1.362 0.662 0.598 358 HB2 ALA 53 2HB ALA 53 -0.413 0.691 0.632 359 HB3 ALA 53 3HB ALA 53 0.481 0.108 2.040 360 H SER 54 H SER 54 2.734 -1.068 -0.767 361 HA SER 54 HA SER 54 4.389 -2.253 1.219 362 HB2 SER 54 1HB SER 54 5.072 -4.257 -0.159 363 HB3 SER 54 2HB SER 54 3.498 -4.397 0.615 364 HG SER 54 HG SER 54 2.490 -4.246 -1.253 365 H GLY 55 H GLY 55 6.696 -2.112 0.546 366 HA2 GLY 55 1HA GLY 55 7.683 -1.421 -1.906 367 HA3 GLY 55 2HA GLY 55 7.056 0.102 -1.271 368 H ASP 56 H ASP 56 8.862 1.185 -0.784 369 HA ASP 56 HA ASP 56 11.315 0.194 0.111 370 HB2 ASP 56 1HB ASP 56 9.917 2.821 0.000 371 HB3 ASP 56 2HB ASP 56 11.295 2.730 1.073 372 H SER 57 H SER 57 12.207 -0.250 2.030 373 HA SER 57 HA SER 57 10.647 -1.157 4.155 374 HB2 SER 57 1HB SER 57 13.643 -0.655 3.901 375 HB3 SER 57 2HB SER 57 12.887 -1.680 5.133 376 HG SER 57 HG SER 57 13.663 -2.833 3.346 377 H TRP 58 H TRP 58 11.177 2.067 3.792 378 HA TRP 58 HA TRP 58 11.425 2.611 6.709 379 HB2 TRP 58 1HB TRP 58 12.661 4.704 5.955 380 HB3 TRP 58 2HB TRP 58 13.516 3.194 5.810 381 HD1 TRP 58 HD TRP 58 13.678 2.132 3.259 382 HE1 TRP 58 1HE TRP 58 13.680 3.226 0.962 383 HE3 TRP 58 3HE TRP 58 11.862 6.732 4.563 384 HZ2 TRP 58 2HZ TRP 58 13.217 5.845 -0.134 385 HZ3 TRP 58 3HZ TRP 58 11.635 8.513 2.864 386 HH2 TRP 58 HH TRP 58 12.268 8.082 0.497 387 H ILE 59 H ILE 59 9.174 2.521 4.482 388 HA ILE 59 HA ILE 59 7.947 5.157 5.110 389 HB ILE 59 HB ILE 59 7.513 3.502 2.608 390 HG12 ILE 59 1HG1 ILE 59 9.215 6.020 2.843 391 HG13 ILE 59 2HG1 ILE 59 9.848 4.382 2.654 392 HG21 ILE 59 1HG2 ILE 59 6.368 5.579 1.839 393 HG22 ILE 59 2HG2 ILE 59 5.618 4.936 3.299 394 HG23 ILE 59 3HG2 ILE 59 6.684 6.340 3.396 395 HD11 ILE 59 3HD1 ILE 59 8.429 4.191 0.535 396 HD12 ILE 59 1HD1 ILE 59 8.169 5.923 0.631 397 HD13 ILE 59 2HD1 ILE 59 9.822 5.296 0.472 398 H HIS 60 H HIS 60 6.878 4.483 6.853 399 HA HIS 60 HA HIS 60 5.554 1.893 7.080 400 HB2 HIS 60 1HB HIS 60 5.746 4.342 8.862 401 HB3 HIS 60 2HB HIS 60 4.816 2.897 9.284 402 HD1 HIS 60 1HD HIS 60 6.167 0.793 9.995 403 HD2 HIS 60 2HD HIS 60 8.526 4.048 8.675 404 HE1 HIS 60 1HE HIS 60 8.571 0.271 10.658 405 H VAL 61 H VAL 61 3.722 1.592 6.019 406 HA VAL 61 HA VAL 61 1.819 3.824 5.568 407 HB VAL 61 HB VAL 61 2.575 2.560 3.624 408 HG11 VAL 61 1HG1 VAL 61 1.260 0.048 4.690 409 HG12 VAL 61 2HG1 VAL 61 2.266 0.262 3.237 410 HG13 VAL 61 3HG1 VAL 61 3.006 0.355 4.813 411 HG21 VAL 61 3HG2 VAL 61 -0.320 1.828 4.074 412 HG22 VAL 61 1HG2 VAL 61 0.212 3.494 3.836 413 HG23 VAL 61 2HG2 VAL 61 0.518 2.311 2.577 414 H ASN 62 H ASN 62 -0.283 3.776 6.477 415 HA ASN 62 HA ASN 62 -1.066 1.404 8.041 416 HB2 ASN 62 1HB ASN 62 0.085 3.764 9.229 417 HB3 ASN 62 2HB ASN 62 -1.617 3.819 9.612 418 HD21 ASN 62 1HD2 ASN 62 0.948 1.264 9.375 419 HD22 ASN 62 2HD2 ASN 62 0.637 0.647 10.984 420 H GLY 63 H GLY 63 -2.088 1.841 5.637 421 HA2 GLY 63 1HA GLY 63 -4.031 2.116 4.514 422 HA3 GLY 63 2HA GLY 63 -4.878 2.332 6.060 423 H SER 64 H SER 64 -5.639 4.383 6.468 424 HA SER 64 HA SER 64 -5.203 6.486 4.568 425 HB2 SER 64 1HB SER 64 -6.723 7.728 6.205 426 HB3 SER 64 2HB SER 64 -7.346 6.347 5.342 427 HG SER 64 HG SER 64 -7.993 6.243 7.389 428 H SER 65 H SER 65 -3.229 5.637 7.224 429 HA SER 65 HA SER 65 -2.304 8.464 7.466 430 HB2 SER 65 1HB SER 65 -1.894 6.135 9.372 431 HB3 SER 65 2HB SER 65 -1.425 7.835 9.630 432 HG SER 65 HG SER 65 -3.481 7.257 10.600 433 H VAL 66 H VAL 66 -0.136 8.963 7.192 434 HA VAL 66 HA VAL 66 1.454 6.993 5.641 435 HB VAL 66 HB VAL 66 1.773 10.020 5.640 436 HG11 VAL 66 1HG1 VAL 66 3.586 8.765 4.586 437 HG12 VAL 66 2HG1 VAL 66 2.431 7.881 3.583 438 HG13 VAL 66 3HG1 VAL 66 2.674 9.635 3.358 439 HG21 VAL 66 3HG2 VAL 66 -0.163 8.502 3.853 440 HG22 VAL 66 1HG2 VAL 66 -0.559 9.793 4.980 441 HG23 VAL 66 2HG2 VAL 66 0.404 10.169 3.561 442 H SER 67 H SER 67 3.823 7.010 6.088 443 HA SER 67 HA SER 67 4.887 8.902 7.931 444 HB2 SER 67 1HB SER 67 5.973 6.445 8.892 445 HB3 SER 67 2HB SER 67 5.143 7.675 9.800 446 HG SER 67 HG SER 67 3.776 5.659 8.325 447 H TYR 68 H TYR 68 7.194 9.054 7.609 448 HA TYR 68 HA TYR 68 8.588 6.771 6.614 449 HB2 TYR 68 1HB TYR 68 9.771 8.051 4.777 450 HB3 TYR 68 2HB TYR 68 8.158 7.520 4.440 451 HD1 TYR 68 1HD TYR 68 10.208 10.523 5.265 452 HD2 TYR 68 2HD TYR 68 6.431 9.015 3.830 453 HE1 TYR 68 1HE TYR 68 9.641 12.778 4.407 454 HE2 TYR 68 2HE TYR 68 5.897 11.231 2.876 455 HH TYR 68 HH TYR 68 7.826 14.132 3.529 456 H ASP 69 H ASP 69 10.951 7.287 6.555 457 HA ASP 69 HA ASP 69 11.722 9.539 8.369 458 HB2 ASP 69 1HB ASP 69 12.766 6.705 8.117 459 HB3 ASP 69 2HB ASP 69 13.861 7.990 8.612 460 H GLU 70 H GLU 70 14.060 10.187 7.931 461 HA GLU 70 HA GLU 70 14.613 10.636 5.013 462 HB2 GLU 70 1HB GLU 70 15.703 11.594 7.682 463 HB3 GLU 70 2HB GLU 70 16.670 11.782 6.221 464 HG2 GLU 70 1HG GLU 70 15.420 13.484 5.397 465 HG3 GLU 70 2HG GLU 70 13.913 12.803 5.958 466 H ASN 71 H ASN 71 16.617 10.059 4.244 467 HA ASN 71 HA ASN 71 17.420 7.385 4.719 468 HB2 ASN 71 1HB ASN 71 18.583 7.559 2.774 469 HB3 ASN 71 2HB ASN 71 17.441 8.839 2.555 470 HD21 ASN 71 1HD2 ASN 71 18.910 9.777 0.991 471 HD22 ASN 71 2HD2 ASN 71 20.363 10.596 1.476 472 HA PRO 72 HA PRO 72 20.769 7.941 7.584 473 HB2 PRO 72 1HB PRO 72 22.283 5.776 7.168 474 HB3 PRO 72 2HB PRO 72 20.535 5.582 7.444 475 HG2 PRO 72 1HG PRO 72 21.967 5.608 4.787 476 HG3 PRO 72 2HG PRO 72 20.757 4.426 5.396 477 HD2 PRO 72 1HD PRO 72 20.148 6.586 3.820 478 HD3 PRO 72 2HD PRO 72 18.992 5.821 4.946 479 H ALA 73 H ALA 73 21.634 8.592 4.267 480 HA ALA 73 HA ALA 73 24.298 9.547 5.032 481 HB1 ALA 73 1HB ALA 73 25.453 8.415 3.236 482 HB2 ALA 73 2HB ALA 73 24.687 7.176 4.256 483 HB3 ALA 73 3HB ALA 73 23.951 7.641 2.689 484 H LYS 74 H LYS 74 25.081 11.118 3.328 485 HA LYS 74 HA LYS 74 22.845 12.834 3.060 486 HB2 LYS 74 1HB LYS 74 24.451 14.558 2.894 487 HB3 LYS 74 2HB LYS 74 24.744 13.498 4.259 488 HG2 LYS 74 1HG LYS 74 26.158 13.206 1.641 489 HG3 LYS 74 2HG LYS 74 26.756 14.275 2.939 490 HD2 LYS 74 1HD LYS 74 26.553 12.052 4.397 491 HD3 LYS 74 2HD LYS 74 26.763 11.271 2.811 492 HE2 LYS 74 1HE LYS 74 28.877 12.413 2.474 493 HE3 LYS 74 2HE LYS 74 28.626 13.384 3.936 494 HZ1 LYS 74 3HZ LYS 74 29.012 10.450 3.850 495 HZ2 LYS 74 1HZ LYS 74 28.625 11.305 5.211 496 HZ3 LYS 74 2HZ LYS 74 30.041 11.600 4.493 497 H GLU 75 H GLU 75 23.528 10.622 1.019 498 HA GLU 75 HA GLU 75 23.761 12.034 -1.447 499 HB2 GLU 75 1HB GLU 75 23.121 9.174 -0.600 500 HB3 GLU 75 2HB GLU 75 22.753 9.697 -2.260 501 HG2 GLU 75 1HG GLU 75 25.207 10.508 -2.373 502 HG3 GLU 75 2HG GLU 75 25.461 9.557 -0.906 503 H ARG 76 H ARG 76 21.670 11.873 -2.989 504 HA ARG 76 HA ARG 76 19.195 12.362 -1.410 505 HB2 ARG 76 1HB ARG 76 20.606 14.321 -2.688 506 HB3 ARG 76 2HB ARG 76 19.633 13.726 -4.028 507 HG2 ARG 76 1HG ARG 76 17.700 13.899 -2.180 508 HG3 ARG 76 2HG ARG 76 18.849 15.113 -1.548 509 HD2 ARG 76 1HD ARG 76 17.574 15.137 -4.311 510 HD3 ARG 76 2HD ARG 76 17.044 16.098 -2.934 511 HE ARG 76 HE ARG 76 19.416 16.510 -4.588 512 HH11 ARG 76 1HH1 ARG 76 17.674 17.650 -1.611 513 HH12 ARG 76 2HH1 ARG 76 18.923 18.761 -1.233 514 HH21 ARG 76 1HH2 ARG 76 20.787 18.268 -4.219 515 HH22 ARG 76 2HH2 ARG 76 20.481 19.340 -2.895 516 H ARG 77 H ARG 77 17.531 11.033 -1.984 517 HA ARG 77 HA ARG 77 17.339 9.925 -4.710 518 HB2 ARG 77 1HB ARG 77 17.479 8.176 -2.207 519 HB3 ARG 77 2HB ARG 77 16.930 7.607 -3.758 520 HG2 ARG 77 1HG ARG 77 19.737 8.574 -3.192 521 HG3 ARG 77 2HG ARG 77 19.171 6.903 -3.362 522 HD2 ARG 77 1HD ARG 77 18.250 8.137 -5.699 523 HD3 ARG 77 2HD ARG 77 19.819 8.893 -5.427 524 HE ARG 77 HE ARG 77 20.815 6.647 -5.343 525 HH11 ARG 77 1HH1 ARG 77 17.638 6.877 -6.919 526 HH12 ARG 77 2HH1 ARG 77 17.980 5.698 -8.119 527 HH21 ARG 77 1HH2 ARG 77 21.206 4.909 -6.767 528 HH22 ARG 77 2HH2 ARG 77 20.058 4.451 -7.969 529 H THR 78 H THR 78 15.250 8.200 -4.361 530 HA THR 78 HA THR 78 13.344 9.463 -2.624 531 HB THR 78 HB THR 78 12.799 10.453 -4.787 532 HG1 THR 78 1HG THR 78 10.860 8.439 -4.225 533 HG21 THR 78 3HG2 THR 78 13.693 8.785 -6.343 534 HG22 THR 78 1HG2 THR 78 11.995 9.123 -6.687 535 HG23 THR 78 2HG2 THR 78 12.428 7.625 -5.847 536 H GLY 79 H GLY 79 11.669 8.035 -1.999 537 HA2 GLY 79 1HA GLY 79 12.187 5.118 -2.371 538 HA3 GLY 79 2HA GLY 79 11.141 5.855 -1.149 539 H LEU 80 H LEU 80 9.936 3.967 -2.498 540 HA LEU 80 HA LEU 80 7.733 5.585 -3.414 541 HB2 LEU 80 1HB LEU 80 9.094 4.537 -5.504 542 HB3 LEU 80 2HB LEU 80 8.209 3.094 -5.041 543 HG LEU 80 HG LEU 80 6.072 4.638 -5.136 544 HD11 LEU 80 1HD1 LEU 80 6.341 6.536 -6.719 545 HD12 LEU 80 2HD1 LEU 80 8.084 6.260 -6.772 546 HD13 LEU 80 3HD1 LEU 80 7.323 6.781 -5.263 547 HD21 LEU 80 3HD2 LEU 80 7.633 3.878 -7.649 548 HD22 LEU 80 1HD2 LEU 80 5.907 4.298 -7.605 549 HD23 LEU 80 2HD2 LEU 80 6.466 2.863 -6.764 550 H VAL 81 H VAL 81 5.696 4.303 -3.210 551 HA VAL 81 HA VAL 81 5.920 1.625 -2.152 552 HB VAL 81 HB VAL 81 3.918 3.501 -0.860 553 HG11 VAL 81 1HG1 VAL 81 3.818 1.833 0.897 554 HG12 VAL 81 2HG1 VAL 81 3.506 1.063 -0.672 555 HG13 VAL 81 3HG1 VAL 81 5.099 0.909 0.119 556 HG21 VAL 81 3HG2 VAL 81 6.659 2.765 0.241 557 HG22 VAL 81 1HG2 VAL 81 6.110 4.412 -0.171 558 HG23 VAL 81 2HG2 VAL 81 5.361 3.536 1.177 559 H THR 82 H THR 82 4.030 0.457 -2.752 560 HA THR 82 HA THR 82 2.262 1.772 -4.740 561 HB THR 82 HB THR 82 3.581 -0.967 -4.873 562 HG1 THR 82 1HG THR 82 5.086 -0.023 -5.979 563 HG21 THR 82 3HG2 THR 82 1.392 -0.957 -6.052 564 HG22 THR 82 1HG2 THR 82 2.735 -1.056 -7.195 565 HG23 THR 82 2HG2 THR 82 1.903 0.491 -6.959 566 H LEU 83 H LEU 83 0.104 0.630 -4.794 567 HA LEU 83 HA LEU 83 -0.575 -0.931 -2.423 568 HB2 LEU 83 1HB LEU 83 -2.429 0.640 -1.825 569 HB3 LEU 83 2HB LEU 83 -0.863 1.325 -1.498 570 HG LEU 83 HG LEU 83 -1.986 2.025 -4.152 571 HD11 LEU 83 1HD1 LEU 83 -3.366 3.778 -3.223 572 HD12 LEU 83 2HD1 LEU 83 -2.931 3.324 -1.553 573 HD13 LEU 83 3HD1 LEU 83 -3.910 2.251 -2.565 574 HD21 LEU 83 3HD2 LEU 83 -0.251 3.493 -3.991 575 HD22 LEU 83 1HD2 LEU 83 0.257 2.748 -2.516 576 HD23 LEU 83 2HD2 LEU 83 -0.838 4.115 -2.412 577 H LYS 84 H LYS 84 -2.944 -1.527 -2.476 578 HA LYS 84 HA LYS 84 -4.230 -1.245 -5.094 579 HB2 LYS 84 1HB LYS 84 -3.044 -3.709 -4.489 580 HB3 LYS 84 2HB LYS 84 -4.646 -3.907 -3.804 581 HG2 LYS 84 1HG LYS 84 -5.371 -2.794 -6.160 582 HG3 LYS 84 2HG LYS 84 -3.815 -3.476 -6.663 583 HD2 LYS 84 1HD LYS 84 -4.681 -5.668 -5.626 584 HD3 LYS 84 2HD LYS 84 -6.285 -4.922 -5.570 585 HE2 LYS 84 1HE LYS 84 -6.215 -4.550 -8.013 586 HE3 LYS 84 2HE LYS 84 -4.559 -5.135 -8.069 587 HZ1 LYS 84 3HZ LYS 84 -6.956 -6.719 -7.480 588 HZ2 LYS 84 1HZ LYS 84 -5.415 -7.312 -7.353 589 HZ3 LYS 84 2HZ LYS 84 -5.981 -6.814 -8.815 590 H GLN 85 H GLN 85 -6.591 -1.702 -4.804 591 HA GLN 85 HA GLN 85 -7.561 -1.026 -2.067 592 HB2 GLN 85 1HB GLN 85 -7.636 0.629 -4.248 593 HB3 GLN 85 2HB GLN 85 -9.066 -0.331 -4.594 594 HG2 GLN 85 1HG GLN 85 -10.023 0.414 -2.344 595 HG3 GLN 85 2HG GLN 85 -8.530 1.311 -2.087 596 HE21 GLN 85 1HE2 GLN 85 -11.487 1.166 -4.117 597 HE22 GLN 85 2HE2 GLN 85 -11.319 2.823 -4.663 598 H ASP 86 H ASP 86 -9.173 -2.447 -1.365 599 HA ASP 86 HA ASP 86 -9.237 -4.979 -1.940 600 HB2 ASP 86 1HB ASP 86 -10.372 -4.023 -0.043 601 HB3 ASP 86 2HB ASP 86 -11.611 -3.317 -1.067 602 H GLU 87 H GLU 87 -12.208 -3.359 -3.002 603 HA GLU 87 HA GLU 87 -12.804 -5.400 -4.959 604 HB2 GLU 87 1HB GLU 87 -14.104 -2.875 -3.866 605 HB3 GLU 87 2HB GLU 87 -14.885 -3.837 -5.124 606 HG2 GLU 87 1HG GLU 87 -13.999 -5.036 -2.470 607 HG3 GLU 87 2HG GLU 87 -15.562 -4.253 -2.685 608 H SER 88 H SER 88 -11.055 -2.628 -5.118 609 HA SER 88 HA SER 88 -11.596 -2.057 -7.969 610 HB2 SER 88 1HB SER 88 -10.041 -0.088 -6.370 611 HB3 SER 88 2HB SER 88 -11.083 0.144 -7.765 612 HG SER 88 HG SER 88 -11.951 -0.589 -5.168 613 H GLY 89 H GLY 89 -8.850 -0.772 -8.143 614 HA2 GLY 89 1HA GLY 89 -7.070 -2.888 -7.311 615 HA3 GLY 89 2HA GLY 89 -7.423 -3.052 -9.014 616 H LYS 90 H LYS 90 -7.421 0.422 -8.426 617 HA LYS 90 HA LYS 90 -5.280 0.940 -9.839 618 HB2 LYS 90 1HB LYS 90 -7.392 2.206 -9.320 619 HB3 LYS 90 2HB LYS 90 -6.878 2.333 -7.617 620 HG2 LYS 90 1HG LYS 90 -4.996 3.528 -8.194 621 HG3 LYS 90 2HG LYS 90 -5.287 3.286 -9.953 622 HD2 LYS 90 1HD LYS 90 -7.240 4.724 -9.856 623 HD3 LYS 90 2HD LYS 90 -7.148 4.746 -8.081 624 HE2 LYS 90 1HE LYS 90 -5.958 6.579 -8.178 625 HE3 LYS 90 2HE LYS 90 -4.616 5.643 -8.849 626 HZ1 LYS 90 3HZ LYS 90 -5.250 7.550 -10.204 627 HZ2 LYS 90 1HZ LYS 90 -6.754 6.940 -10.413 628 HZ3 LYS 90 2HZ LYS 90 -5.459 6.136 -11.051 629 H THR 91 H THR 91 -3.349 1.913 -9.297 630 HA THR 91 HA THR 91 -2.309 1.488 -6.569 631 HB THR 91 HB THR 91 -0.242 0.777 -7.481 632 HG1 THR 91 1HG THR 91 0.201 0.655 -9.595 633 HG21 THR 91 3HG2 THR 91 -0.735 -1.321 -8.523 634 HG22 THR 91 1HG2 THR 91 -2.187 -0.697 -9.324 635 HG23 THR 91 2HG2 THR 91 -2.187 -0.980 -7.583 636 H LEU 92 H LEU 92 -0.905 3.136 -5.844 637 HA LEU 92 HA LEU 92 -0.871 5.717 -7.354 638 HB2 LEU 92 1HB LEU 92 -1.135 5.373 -4.356 639 HB3 LEU 92 2HB LEU 92 -1.031 6.897 -5.241 640 HG LEU 92 HG LEU 92 -3.330 4.914 -5.486 641 HD11 LEU 92 1HD1 LEU 92 -2.996 6.002 -3.212 642 HD12 LEU 92 2HD1 LEU 92 -4.536 6.321 -4.007 643 HD13 LEU 92 3HD1 LEU 92 -3.271 7.574 -4.030 644 HD21 LEU 92 3HD2 LEU 92 -3.080 6.431 -7.488 645 HD22 LEU 92 1HD2 LEU 92 -3.184 7.832 -6.397 646 HD23 LEU 92 2HD2 LEU 92 -4.567 6.761 -6.575 647 H SER 93 H SER 93 0.998 7.020 -5.767 648 HA SER 93 HA SER 93 3.299 5.264 -5.413 649 HB2 SER 93 1HB SER 93 4.302 7.467 -6.716 650 HB3 SER 93 2HB SER 93 4.072 5.861 -7.461 651 HG SER 93 HG SER 93 2.566 8.221 -7.581 652 H LEU 94 H LEU 94 4.998 6.456 -4.257 653 HA LEU 94 HA LEU 94 4.195 8.900 -2.786 654 HB2 LEU 94 1HB LEU 94 3.656 6.961 -1.369 655 HB3 LEU 94 2HB LEU 94 5.253 6.317 -1.570 656 HG LEU 94 HG LEU 94 6.259 7.765 -0.134 657 HD11 LEU 94 1HD1 LEU 94 5.423 9.926 0.739 658 HD12 LEU 94 2HD1 LEU 94 4.028 9.854 -0.340 659 HD13 LEU 94 3HD1 LEU 94 5.665 9.987 -1.001 660 HD21 LEU 94 3HD2 LEU 94 4.481 6.359 0.973 661 HD22 LEU 94 1HD2 LEU 94 3.471 7.799 1.086 662 HD23 LEU 94 2HD2 LEU 94 5.039 7.761 1.905 663 H LYS 95 H LYS 95 5.644 9.877 -4.397 664 HA LYS 95 HA LYS 95 8.487 9.013 -4.355 665 HB2 LYS 95 1HB LYS 95 6.875 10.935 -6.017 666 HB3 LYS 95 2HB LYS 95 8.634 11.186 -5.867 667 HG2 LYS 95 1HG LYS 95 8.919 8.778 -6.532 668 HG3 LYS 95 2HG LYS 95 7.182 8.762 -6.920 669 HD2 LYS 95 1HD LYS 95 8.226 9.156 -8.963 670 HD3 LYS 95 2HD LYS 95 7.677 10.760 -8.452 671 HE2 LYS 95 1HE LYS 95 9.982 11.274 -7.637 672 HE3 LYS 95 2HE LYS 95 10.500 9.646 -8.123 673 HZ1 LYS 95 3HZ LYS 95 11.067 11.162 -9.869 674 HZ2 LYS 95 1HZ LYS 95 9.569 11.820 -9.871 675 HZ3 LYS 95 2HZ LYS 95 9.790 10.268 -10.403 676 H ILE 96 H ILE 96 9.118 9.393 -2.256 677 HA ILE 96 HA ILE 96 8.997 12.119 -1.115 678 HB ILE 96 HB ILE 96 10.459 9.624 -0.123 679 HG12 ILE 96 1HG1 ILE 96 7.809 10.501 1.029 680 HG13 ILE 96 2HG1 ILE 96 7.877 9.379 -0.326 681 HG21 ILE 96 1HG2 ILE 96 11.291 11.691 0.853 682 HG22 ILE 96 2HG2 ILE 96 9.644 12.204 1.297 683 HG23 ILE 96 3HG2 ILE 96 10.402 10.804 2.082 684 HD11 ILE 96 3HD1 ILE 96 9.330 7.850 0.871 685 HD12 ILE 96 1HD1 ILE 96 9.305 8.891 2.291 686 HD13 ILE 96 2HD1 ILE 96 7.804 8.117 1.747 687 H VAL 97 H VAL 97 10.373 13.422 -2.589 688 HA VAL 97 HA VAL 97 13.118 12.345 -3.027 689 HB VAL 97 HB VAL 97 11.909 14.918 -4.096 690 HG11 VAL 97 1HG1 VAL 97 14.433 13.342 -4.781 691 HG12 VAL 97 2HG1 VAL 97 13.861 14.770 -5.662 692 HG13 VAL 97 3HG1 VAL 97 14.371 14.914 -3.968 693 HG21 VAL 97 3HG2 VAL 97 12.230 12.295 -5.582 694 HG22 VAL 97 1HG2 VAL 97 10.684 13.006 -5.074 695 HG23 VAL 97 2HG2 VAL 97 11.697 13.845 -6.262 696 H GLN 98 H GLN 98 13.860 12.406 -0.837 697 HA GLN 98 HA GLN 98 13.904 15.145 0.351 698 HB2 GLN 98 1HB GLN 98 13.495 14.410 2.440 699 HB3 GLN 98 2HB GLN 98 12.414 13.452 1.482 700 HG2 GLN 98 1HG GLN 98 14.611 12.705 3.280 701 HG3 GLN 98 2HG GLN 98 13.058 11.937 3.033 702 HE21 GLN 98 1HE2 GLN 98 16.380 11.766 2.519 703 HE22 GLN 98 2HE2 GLN 98 16.380 10.314 1.543 704 HA PRO 99 HA PRO 99 18.256 14.684 0.279 705 HB2 PRO 99 1HB PRO 99 19.221 16.270 2.207 706 HB3 PRO 99 2HB PRO 99 18.178 16.971 0.930 707 HG2 PRO 99 1HG PRO 99 17.337 16.011 3.696 708 HG3 PRO 99 2HG PRO 99 17.029 17.594 2.946 709 HD2 PRO 99 1HD PRO 99 15.224 15.550 2.843 710 HD3 PRO 99 2HD PRO 99 15.389 16.699 1.482 711 H GLY 100 H GLY 100 20.184 14.136 1.556 712 HA2 GLY 100 1HA GLY 100 19.448 11.973 3.404 713 HA3 GLY 100 2HA GLY 100 21.022 12.187 2.637 714 H LYS 101 H LYS 101 20.920 11.684 5.180 715 HA LYS 101 HA LYS 101 20.545 14.204 6.784 716 HB2 LYS 101 1HB LYS 101 19.032 12.224 7.141 717 HB3 LYS 101 2HB LYS 101 20.431 11.325 7.759 718 HG2 LYS 101 1HG LYS 101 20.668 13.292 9.448 719 HG3 LYS 101 2HG LYS 101 19.051 13.771 8.943 720 HD2 LYS 101 1HD LYS 101 19.827 11.043 10.051 721 HD3 LYS 101 2HD LYS 101 19.143 12.337 11.025 722 HE2 LYS 101 1HE LYS 101 17.699 11.073 8.641 723 HE3 LYS 101 2HE LYS 101 17.558 10.506 10.311 724 HZ1 LYS 101 3HZ LYS 101 16.769 12.761 10.905 725 HZ2 LYS 101 1HZ LYS 101 15.763 11.901 9.941 726 HZ3 LYS 101 2HZ LYS 101 16.641 13.122 9.294 727 H THR 102 H THR 102 22.196 14.992 8.024 728 HA THR 102 HA THR 102 24.509 13.381 8.738 729 HB THR 102 HB THR 102 25.763 15.608 7.611 730 HG1 THR 102 1HG THR 102 24.083 16.023 6.121 731 HG21 THR 102 3HG2 THR 102 25.538 12.777 6.483 732 HG22 THR 102 1HG2 THR 102 26.655 13.328 7.743 733 HG23 THR 102 2HG2 THR 102 26.811 13.969 6.098 734 H SER 103 H SER 103 23.784 13.834 10.821 735 HA SER 103 HA SER 103 24.238 16.636 11.648 736 HB2 SER 103 1HB SER 103 22.402 15.077 13.344 737 HB3 SER 103 2HB SER 103 22.268 16.718 12.693 738 HG SER 103 HG SER 103 21.622 14.260 11.456 739 H ILE 104 H ILE 104 24.206 16.292 14.412 740 HA ILE 104 HA ILE 104 26.488 14.455 14.940 741 HB ILE 104 HB ILE 104 27.151 16.093 16.685 742 HG12 ILE 104 1HG1 ILE 104 25.359 18.120 15.252 743 HG13 ILE 104 2HG1 ILE 104 24.906 17.335 16.760 744 HG21 ILE 104 1HG2 ILE 104 27.194 17.204 13.840 745 HG22 ILE 104 2HG2 ILE 104 28.371 17.530 15.135 746 HG23 ILE 104 3HG2 ILE 104 28.245 15.910 14.450 747 HD11 ILE 104 3HD1 ILE 104 26.939 18.258 17.865 748 HD12 ILE 104 1HD1 ILE 104 27.308 19.152 16.369 749 HD13 ILE 104 2HD1 ILE 104 25.825 19.502 17.263 750 H ASP 105 H ASP 105 24.036 13.439 14.885 751 HA ASP 105 HA ASP 105 22.593 14.067 17.326 752 HB2 ASP 105 1HB ASP 105 20.732 13.245 16.330 753 HB3 ASP 105 2HB ASP 105 21.601 13.898 14.957 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -34.304 13.402 -0.487 2 HA2 GLY 1 1HA GLY 1 -31.983 11.568 -0.253 3 HA3 GLY 1 2HA GLY 1 -33.668 11.037 -0.054 4 H HIS 2 H HIS 2 -31.628 10.229 -2.134 5 HA HIS 2 HA HIS 2 -33.340 10.465 -4.478 6 HB2 HIS 2 1HB HIS 2 -31.249 11.149 -5.869 7 HB3 HIS 2 2HB HIS 2 -32.167 12.396 -5.038 8 HD1 HIS 2 1HD HIS 2 -29.020 10.272 -4.089 9 HD2 HIS 2 2HD HIS 2 -30.773 14.084 -3.705 10 HE1 HIS 2 1HE HIS 2 -27.417 11.656 -2.671 11 H MET 3 H MET 3 -33.220 8.482 -5.572 12 HA MET 3 HA MET 3 -30.858 6.785 -5.276 13 HB2 MET 3 1HB MET 3 -33.678 5.963 -4.425 14 HB3 MET 3 2HB MET 3 -32.349 4.834 -4.706 15 HG2 MET 3 1HG MET 3 -31.019 5.936 -2.937 16 HG3 MET 3 2HG MET 3 -32.356 7.035 -2.603 17 HE1 MET 3 3HE MET 3 -34.997 5.368 -2.542 18 HE2 MET 3 1HE MET 3 -35.010 4.902 -0.829 19 HE3 MET 3 2HE MET 3 -34.465 6.527 -1.301 20 H GLY 4 H GLY 4 -30.809 5.242 -6.982 21 HA2 GLY 4 1HA GLY 4 -31.934 4.203 -8.961 22 HA3 GLY 4 2HA GLY 4 -32.623 5.805 -9.291 23 H SER 5 H SER 5 -29.475 4.058 -8.863 24 HA SER 5 HA SER 5 -28.396 5.219 -11.201 25 HB2 SER 5 1HB SER 5 -26.381 6.259 -9.975 26 HB3 SER 5 2HB SER 5 -27.888 7.174 -9.962 27 HG SER 5 HG SER 5 -28.236 5.961 -7.864 28 HA PRO 6 HA PRO 6 -25.981 1.467 -10.545 29 HB2 PRO 6 1HB PRO 6 -23.663 1.898 -11.948 30 HB3 PRO 6 2HB PRO 6 -25.253 1.697 -12.740 31 HG2 PRO 6 1HG PRO 6 -23.858 4.277 -12.004 32 HG3 PRO 6 2HG PRO 6 -24.546 3.819 -13.594 33 HD2 PRO 6 1HD PRO 6 -25.921 5.350 -11.828 34 HD3 PRO 6 2HD PRO 6 -26.761 4.112 -12.801 35 H VAL 7 H VAL 7 -23.443 0.921 -9.974 36 HA VAL 7 HA VAL 7 -23.134 1.975 -7.277 37 HB VAL 7 HB VAL 7 -21.505 -0.095 -8.819 38 HG11 VAL 7 1HG1 VAL 7 -20.841 -0.914 -6.612 39 HG12 VAL 7 2HG1 VAL 7 -20.359 0.793 -6.795 40 HG13 VAL 7 3HG1 VAL 7 -21.764 0.359 -5.818 41 HG21 VAL 7 3HG2 VAL 7 -23.896 -0.453 -6.965 42 HG22 VAL 7 1HG2 VAL 7 -23.817 -0.844 -8.697 43 HG23 VAL 7 2HG2 VAL 7 -22.855 -1.769 -7.549 44 H SER 8 H SER 8 -22.002 3.762 -6.910 45 HA SER 8 HA SER 8 -20.057 4.817 -8.899 46 HB2 SER 8 1HB SER 8 -21.824 5.955 -6.800 47 HB3 SER 8 2HB SER 8 -20.171 6.577 -6.733 48 HG SER 8 HG SER 8 -21.492 7.799 -8.151 49 H TYR 9 H TYR 9 -17.964 4.012 -8.648 50 HA TYR 9 HA TYR 9 -16.929 3.687 -5.863 51 HB2 TYR 9 1HB TYR 9 -15.767 2.888 -8.535 52 HB3 TYR 9 2HB TYR 9 -14.812 3.059 -7.081 53 HD1 TYR 9 1HD TYR 9 -18.226 1.492 -7.333 54 HD2 TYR 9 2HD TYR 9 -14.001 0.928 -6.588 55 HE1 TYR 9 1HE TYR 9 -18.659 -0.769 -6.643 56 HE2 TYR 9 2HE TYR 9 -14.420 -1.416 -5.960 57 HH TYR 9 HH TYR 9 -17.779 -2.779 -6.142 58 H TYR 10 H TYR 10 -14.894 4.762 -5.458 59 HA TYR 10 HA TYR 10 -14.377 7.323 -6.876 60 HB2 TYR 10 1HB TYR 10 -14.854 6.930 -3.880 61 HB3 TYR 10 2HB TYR 10 -14.263 8.389 -4.677 62 HD1 TYR 10 2HD TYR 10 -17.236 6.178 -4.280 63 HD2 TYR 10 1HD TYR 10 -15.696 9.949 -5.670 64 HE1 TYR 10 2HE TYR 10 -19.574 6.990 -4.567 65 HE2 TYR 10 1HE TYR 10 -18.003 10.809 -5.925 66 HH TYR 10 HH TYR 10 -20.272 10.285 -5.874 67 H PHE 11 H PHE 11 -12.314 6.829 -7.544 68 HA PHE 11 HA PHE 11 -10.398 5.532 -5.660 69 HB2 PHE 11 1HB PHE 11 -9.522 4.342 -7.792 70 HB3 PHE 11 2HB PHE 11 -10.884 3.671 -7.004 71 HD1 PHE 11 2HD PHE 11 -9.777 5.511 -10.061 72 HD2 PHE 11 1HD PHE 11 -13.022 3.542 -8.050 73 HE1 PHE 11 2HE PHE 11 -11.096 5.558 -12.141 74 HE2 PHE 11 1HE PHE 11 -14.377 3.627 -10.154 75 HZ PHE 11 HZ PHE 11 -13.425 4.678 -12.191 76 H SER 12 H SER 12 -10.063 8.065 -5.426 77 HA SER 12 HA SER 12 -7.606 8.534 -6.957 78 HB2 SER 12 1HB SER 12 -9.397 10.935 -6.816 79 HB3 SER 12 2HB SER 12 -8.179 10.516 -8.006 80 HG SER 12 HG SER 12 -10.903 9.849 -7.856 81 H TYR 13 H TYR 13 -6.527 10.713 -5.980 82 HA TYR 13 HA TYR 13 -6.823 10.879 -3.054 83 HB2 TYR 13 1HB TYR 13 -5.510 12.582 -5.181 84 HB3 TYR 13 2HB TYR 13 -5.756 13.197 -3.597 85 HD1 TYR 13 1HD TYR 13 -4.788 12.280 -1.571 86 HD2 TYR 13 2HD TYR 13 -3.638 10.866 -5.473 87 HE1 TYR 13 1HE TYR 13 -2.801 11.209 -0.582 88 HE2 TYR 13 2HE TYR 13 -1.625 9.769 -4.482 89 HH TYR 13 HH TYR 13 -0.475 9.279 -2.531 90 H ALA 14 H ALA 14 -7.980 12.649 -2.012 91 HA ALA 14 HA ALA 14 -10.418 13.083 -3.453 92 HB1 ALA 14 1HB ALA 14 -11.128 14.217 -1.341 93 HB2 ALA 14 2HB ALA 14 -10.390 12.637 -1.018 94 HB3 ALA 14 3HB ALA 14 -9.456 14.129 -0.749 95 H ASP 15 H ASP 15 -7.539 14.977 -2.950 96 HA ASP 15 HA ASP 15 -8.849 17.499 -3.665 97 HB2 ASP 15 1HB ASP 15 -6.022 16.908 -2.888 98 HB3 ASP 15 2HB ASP 15 -6.669 18.520 -3.191 99 H GLY 16 H GLY 16 -8.374 15.171 -5.633 100 HA2 GLY 16 1HA GLY 16 -8.648 15.441 -7.940 101 HA3 GLY 16 2HA GLY 16 -7.915 17.043 -7.856 102 H GLY 17 H GLY 17 -6.798 13.621 -7.098 103 HA2 GLY 17 1HA GLY 17 -5.225 13.570 -9.414 104 HA3 GLY 17 2HA GLY 17 -4.172 14.130 -8.108 105 H THR 18 H THR 18 -3.080 12.260 -8.929 106 HA THR 18 HA THR 18 -4.019 9.653 -7.857 107 HB THR 18 HB THR 18 -3.004 8.825 -10.103 108 HG1 THR 18 1HG THR 18 -2.170 10.787 -10.904 109 HG21 THR 18 3HG2 THR 18 -5.143 9.047 -11.165 110 HG22 THR 18 1HG2 THR 18 -5.600 10.420 -10.136 111 HG23 THR 18 2HG2 THR 18 -5.425 8.804 -9.429 112 H SER 19 H SER 19 -1.631 11.786 -7.234 113 HA SER 19 HA SER 19 0.118 9.696 -6.310 114 HB2 SER 19 1HB SER 19 0.929 9.667 -8.549 115 HB3 SER 19 2HB SER 19 0.811 11.417 -8.696 116 HG SER 19 HG SER 19 2.616 10.029 -7.025 117 H HIS 20 H HIS 20 1.856 10.591 -5.075 118 HA HIS 20 HA HIS 20 1.653 13.447 -4.302 119 HB2 HIS 20 1HB HIS 20 1.345 11.055 -2.632 120 HB3 HIS 20 2HB HIS 20 2.792 11.915 -2.187 121 HD1 HIS 20 1HD HIS 20 -1.037 12.657 -2.526 122 HD2 HIS 20 2HD HIS 20 2.486 13.915 -0.609 123 HE1 HIS 20 1HE HIS 20 -1.724 14.422 -0.844 124 H THR 21 H THR 21 3.613 14.448 -4.688 125 HA THR 21 HA THR 21 6.009 12.842 -4.562 126 HB THR 21 HB THR 21 5.703 14.707 -6.937 127 HG1 THR 21 1HG THR 21 4.676 12.595 -7.092 128 HG21 THR 21 3HG2 THR 21 7.932 13.853 -7.511 129 HG22 THR 21 1HG2 THR 21 8.007 12.998 -5.940 130 HG23 THR 21 2HG2 THR 21 7.926 14.732 -5.975 131 H GLU 22 H GLU 22 7.257 13.785 -3.056 132 HA GLU 22 HA GLU 22 6.984 16.719 -2.656 133 HB2 GLU 22 1HB GLU 22 6.935 14.475 -0.655 134 HB3 GLU 22 2HB GLU 22 7.947 15.859 -0.284 135 HG2 GLU 22 1HG GLU 22 5.966 16.465 0.694 136 HG3 GLU 22 2HG GLU 22 5.970 17.376 -0.796 137 H TYR 23 H TYR 23 8.816 17.825 -2.363 138 HA TYR 23 HA TYR 23 11.425 16.458 -2.755 139 HB2 TYR 23 1HB TYR 23 10.414 18.984 -4.116 140 HB3 TYR 23 2HB TYR 23 12.045 18.348 -4.198 141 HD1 TYR 23 2HD TYR 23 8.551 17.920 -5.379 142 HD2 TYR 23 1HD TYR 23 12.587 16.467 -5.616 143 HE1 TYR 23 2HE TYR 23 7.976 16.740 -7.475 144 HE2 TYR 23 1HE TYR 23 12.075 15.347 -7.766 145 HH TYR 23 HH TYR 23 10.521 15.267 -9.531 146 HA PRO 24 HA PRO 24 11.272 19.440 0.834 147 HB2 PRO 24 1HB PRO 24 12.111 17.858 2.864 148 HB3 PRO 24 2HB PRO 24 10.435 17.787 2.217 149 HG2 PRO 24 1HG PRO 24 12.767 15.997 1.502 150 HG3 PRO 24 2HG PRO 24 11.128 15.498 2.041 151 HD2 PRO 24 1HD PRO 24 11.803 15.653 -0.610 152 HD3 PRO 24 2HD PRO 24 10.171 16.081 -0.027 153 H ASP 25 H ASP 25 13.238 19.983 2.383 154 HA ASP 25 HA ASP 25 15.691 19.828 0.698 155 HB2 ASP 25 1HB ASP 25 15.825 22.137 0.463 156 HB3 ASP 25 2HB ASP 25 14.114 21.812 0.182 157 H ASP 26 H ASP 26 14.638 19.332 3.762 158 HA ASP 26 HA ASP 26 17.344 19.783 4.791 159 HB2 ASP 26 1HB ASP 26 15.096 21.516 5.540 160 HB3 ASP 26 2HB ASP 26 15.766 20.671 6.941 161 H SER 27 H SER 27 14.108 18.941 6.195 162 HA SER 27 HA SER 27 15.074 16.223 6.840 163 HB2 SER 27 1HB SER 27 15.939 17.919 8.516 164 HB3 SER 27 2HB SER 27 14.260 18.336 8.889 165 HG SER 27 HG SER 27 13.965 16.148 9.467 166 H SER 28 H SER 28 12.529 17.905 5.462 167 HA SER 28 HA SER 28 10.420 17.467 7.201 168 HB2 SER 28 1HB SER 28 9.941 17.599 4.250 169 HB3 SER 28 2HB SER 28 9.098 18.398 5.571 170 HG SER 28 HG SER 28 10.483 19.820 4.310 171 H ALA 29 H ALA 29 10.354 15.389 7.987 172 HA ALA 29 HA ALA 29 8.805 13.439 6.416 173 HB1 ALA 29 1HB ALA 29 11.450 12.887 7.876 174 HB2 ALA 29 2HB ALA 29 10.339 11.626 7.336 175 HB3 ALA 29 3HB ALA 29 11.124 12.674 6.145 176 H GLY 30 H GLY 30 7.271 12.168 8.064 177 HA2 GLY 30 1HA GLY 30 7.490 12.327 10.782 178 HA3 GLY 30 2HA GLY 30 6.749 13.861 10.272 179 H SER 31 H SER 31 5.035 12.595 11.686 180 HA SER 31 HA SER 31 3.496 10.641 10.067 181 HB2 SER 31 1HB SER 31 3.413 11.457 13.009 182 HB3 SER 31 2HB SER 31 2.367 10.236 12.267 183 HG SER 31 HG SER 31 5.146 10.139 12.817 184 H PHE 32 H PHE 32 1.811 11.445 8.935 185 HA PHE 32 HA PHE 32 0.040 13.500 10.100 186 HB2 PHE 32 1HB PHE 32 0.014 14.776 7.903 187 HB3 PHE 32 2HB PHE 32 1.389 14.977 8.931 188 HD1 PHE 32 2HD PHE 32 0.221 13.597 5.693 189 HD2 PHE 32 1HD PHE 32 3.593 14.304 8.300 190 HE1 PHE 32 2HE PHE 32 1.779 13.182 3.813 191 HE2 PHE 32 1HE PHE 32 5.138 14.014 6.392 192 HZ PHE 32 HZ PHE 32 4.256 13.461 4.164 193 H ILE 33 H ILE 33 -1.666 13.835 7.918 194 HA ILE 33 HA ILE 33 -2.644 11.112 7.287 195 HB ILE 33 HB ILE 33 -4.297 13.472 8.311 196 HG12 ILE 33 1HG1 ILE 33 -3.464 10.848 9.623 197 HG13 ILE 33 2HG1 ILE 33 -3.058 12.477 10.145 198 HG21 ILE 33 1HG2 ILE 33 -5.147 10.671 7.440 199 HG22 ILE 33 2HG2 ILE 33 -6.204 11.834 8.270 200 HG23 ILE 33 3HG2 ILE 33 -5.602 12.218 6.689 201 HD11 ILE 33 3HD1 ILE 33 -5.770 11.152 10.338 202 HD12 ILE 33 1HD1 ILE 33 -4.681 11.618 11.642 203 HD13 ILE 33 2HD1 ILE 33 -5.473 12.877 10.674 204 H LEU 34 H LEU 34 -4.039 11.112 5.379 205 HA LEU 34 HA LEU 34 -3.816 13.373 3.519 206 HB2 LEU 34 1HB LEU 34 -3.302 10.438 2.883 207 HB3 LEU 34 2HB LEU 34 -3.449 11.710 1.677 208 HG LEU 34 HG LEU 34 -1.282 11.621 3.807 209 HD11 LEU 34 1HD1 LEU 34 -1.123 9.660 2.383 210 HD12 LEU 34 2HD1 LEU 34 0.205 10.787 2.032 211 HD13 LEU 34 3HD1 LEU 34 -1.179 10.685 0.922 212 HD21 LEU 34 3HD2 LEU 34 -0.121 13.164 2.180 213 HD22 LEU 34 1HD2 LEU 34 -1.542 13.828 2.992 214 HD23 LEU 34 2HD2 LEU 34 -1.669 13.290 1.310 215 H ASP 35 H ASP 35 -5.660 13.241 1.998 216 HA ASP 35 HA ASP 35 -7.886 11.497 2.936 217 HB2 ASP 35 1HB ASP 35 -7.839 14.285 1.795 218 HB3 ASP 35 2HB ASP 35 -9.246 13.232 1.609 219 H ILE 36 H ILE 36 -7.685 9.697 1.768 220 HA ILE 36 HA ILE 36 -7.462 9.954 -1.194 221 HB ILE 36 HB ILE 36 -6.966 7.524 0.574 222 HG12 ILE 36 1HG1 ILE 36 -4.631 7.929 -0.812 223 HG13 ILE 36 2HG1 ILE 36 -5.170 9.594 -0.698 224 HG21 ILE 36 1HG2 ILE 36 -7.907 6.936 -1.683 225 HG22 ILE 36 2HG2 ILE 36 -6.559 7.805 -2.437 226 HG23 ILE 36 3HG2 ILE 36 -6.276 6.365 -1.413 227 HD11 ILE 36 3HD1 ILE 36 -4.794 7.677 1.642 228 HD12 ILE 36 1HD1 ILE 36 -3.646 8.929 1.127 229 HD13 ILE 36 2HD1 ILE 36 -5.228 9.391 1.780 230 H THR 37 H THR 37 -9.120 9.129 -2.390 231 HA THR 37 HA THR 37 -11.651 8.555 -1.001 232 HB THR 37 HB THR 37 -11.730 8.554 -3.944 233 HG1 THR 37 1HG THR 37 -10.077 10.127 -3.671 234 HG21 THR 37 3HG2 THR 37 -13.540 10.185 -3.480 235 HG22 THR 37 1HG2 THR 37 -13.030 10.268 -1.782 236 HG23 THR 37 2HG2 THR 37 -13.645 8.732 -2.449 237 H SER 38 H SER 38 -11.861 6.439 -0.475 238 HA SER 38 HA SER 38 -10.926 4.384 -2.407 239 HB2 SER 38 1HB SER 38 -10.365 3.978 0.528 240 HB3 SER 38 2HB SER 38 -9.554 3.307 -0.900 241 HG SER 38 HG SER 38 -8.234 4.773 0.091 242 H TYR 39 H TYR 39 -13.554 4.828 -2.539 243 HA TYR 39 HA TYR 39 -14.678 2.565 -1.045 244 HB2 TYR 39 1HB TYR 39 -16.339 3.859 0.154 245 HB3 TYR 39 2HB TYR 39 -14.805 4.620 0.496 246 HD1 TYR 39 1HD TYR 39 -14.260 6.870 -0.513 247 HD2 TYR 39 2HD TYR 39 -18.099 4.986 -1.083 248 HE1 TYR 39 1HE TYR 39 -15.247 9.035 -1.084 249 HE2 TYR 39 2HE TYR 39 -19.064 7.165 -1.773 250 HH TYR 39 HH TYR 39 -17.008 10.070 -2.145 251 H LYS 40 H LYS 40 -16.987 2.274 -1.409 252 HA LYS 40 HA LYS 40 -17.836 3.142 -4.103 253 HB2 LYS 40 1HB LYS 40 -18.866 1.003 -4.485 254 HB3 LYS 40 2HB LYS 40 -17.129 0.814 -4.237 255 HG2 LYS 40 1HG LYS 40 -17.417 -0.624 -2.525 256 HG3 LYS 40 2HG LYS 40 -18.482 0.475 -1.685 257 HD2 LYS 40 1HD LYS 40 -19.913 -1.246 -1.976 258 HD3 LYS 40 2HD LYS 40 -20.298 -0.309 -3.428 259 HE2 LYS 40 1HE LYS 40 -19.116 -1.866 -4.818 260 HE3 LYS 40 2HE LYS 40 -18.150 -2.476 -3.470 261 HZ1 LYS 40 3HZ LYS 40 -19.786 -4.091 -4.123 262 HZ2 LYS 40 1HZ LYS 40 -21.028 -3.058 -3.836 263 HZ3 LYS 40 2HZ LYS 40 -20.064 -3.593 -2.609 264 H LYS 41 H LYS 41 -19.949 3.618 -4.323 265 HA LYS 41 HA LYS 41 -21.660 3.862 -1.910 266 HB2 LYS 41 1HB LYS 41 -20.908 6.015 -2.830 267 HB3 LYS 41 2HB LYS 41 -21.386 5.533 -4.460 268 HG2 LYS 41 1HG LYS 41 -23.662 5.742 -4.035 269 HG3 LYS 41 2HG LYS 41 -23.466 5.582 -2.289 270 HD2 LYS 41 1HD LYS 41 -22.191 7.927 -3.704 271 HD3 LYS 41 2HD LYS 41 -23.953 7.946 -3.385 272 HE2 LYS 41 1HE LYS 41 -23.541 7.456 -0.984 273 HE3 LYS 41 2HE LYS 41 -21.798 7.496 -1.290 274 HZ1 LYS 41 3HZ LYS 41 -22.589 9.518 -0.350 275 HZ2 LYS 41 1HZ LYS 41 -23.585 9.812 -1.649 276 HZ3 LYS 41 2HZ LYS 41 -21.941 9.750 -1.846 277 H THR 42 H THR 42 -23.748 3.115 -2.140 278 HA THR 42 HA THR 42 -25.071 2.431 -4.479 279 HB THR 42 HB THR 42 -23.613 0.594 -4.804 280 HG1 THR 42 1HG THR 42 -25.636 -0.119 -5.105 281 HG21 THR 42 3HG2 THR 42 -23.923 -0.148 -1.875 282 HG22 THR 42 1HG2 THR 42 -22.438 0.410 -2.689 283 HG23 THR 42 2HG2 THR 42 -23.138 -1.154 -3.115 284 H GLY 43 H GLY 43 -27.079 1.075 -3.656 285 HA2 GLY 43 1HA GLY 43 -29.028 1.246 -2.443 286 HA3 GLY 43 2HA GLY 43 -27.962 0.658 -1.168 287 H ASN 44 H ASN 44 -27.464 1.972 0.508 288 HA ASN 44 HA ASN 44 -27.858 4.877 0.454 289 HB2 ASN 44 1HB ASN 44 -30.129 4.009 1.153 290 HB3 ASN 44 2HB ASN 44 -29.311 3.166 2.488 291 HD21 ASN 44 1HD2 ASN 44 -30.783 4.450 3.903 292 HD22 ASN 44 2HD2 ASN 44 -30.480 6.156 4.081 293 H SER 45 H SER 45 -25.516 3.271 0.504 294 HA SER 45 HA SER 45 -24.404 3.930 3.154 295 HB2 SER 45 1HB SER 45 -23.830 1.236 1.920 296 HB3 SER 45 2HB SER 45 -23.687 1.749 3.609 297 HG SER 45 HG SER 45 -25.714 1.167 3.934 298 H THR 46 H THR 46 -22.006 3.603 3.116 299 HA THR 46 HA THR 46 -20.801 3.363 0.456 300 HB THR 46 HB THR 46 -19.056 5.051 0.951 301 HG1 THR 46 1HG THR 46 -19.696 5.186 3.260 302 HG21 THR 46 3HG2 THR 46 -21.865 6.204 0.790 303 HG22 THR 46 1HG2 THR 46 -20.895 5.580 -0.568 304 HG23 THR 46 2HG2 THR 46 -20.358 7.019 0.323 305 H LYS 47 H LYS 47 -19.734 1.455 0.668 306 HA LYS 47 HA LYS 47 -18.424 0.788 3.237 307 HB2 LYS 47 1HB LYS 47 -19.653 -0.903 1.503 308 HB3 LYS 47 2HB LYS 47 -18.030 -0.927 0.795 309 HG2 LYS 47 1HG LYS 47 -17.173 -1.361 3.211 310 HG3 LYS 47 2HG LYS 47 -18.867 -1.573 3.652 311 HD2 LYS 47 1HD LYS 47 -18.147 -3.748 3.336 312 HD3 LYS 47 2HD LYS 47 -18.927 -3.400 1.785 313 HE2 LYS 47 1HE LYS 47 -16.741 -2.971 0.745 314 HE3 LYS 47 2HE LYS 47 -15.935 -3.038 2.317 315 HZ1 LYS 47 3HZ LYS 47 -17.210 -5.324 0.931 316 HZ2 LYS 47 1HZ LYS 47 -16.537 -5.400 2.444 317 HZ3 LYS 47 2HZ LYS 47 -15.640 -5.074 1.100 318 H ALA 48 H ALA 48 -16.334 1.428 3.570 319 HA ALA 48 HA ALA 48 -14.703 2.549 1.413 320 HB1 ALA 48 1HB ALA 48 -14.445 3.336 3.768 321 HB2 ALA 48 2HB ALA 48 -13.925 1.693 4.229 322 HB3 ALA 48 3HB ALA 48 -12.951 2.657 3.102 323 H LEU 49 H LEU 49 -12.820 1.501 0.617 324 HA LEU 49 HA LEU 49 -12.707 -1.458 0.892 325 HB2 LEU 49 1HB LEU 49 -12.210 0.182 -1.615 326 HB3 LEU 49 2HB LEU 49 -11.794 -1.469 -1.441 327 HG LEU 49 HG LEU 49 -14.473 -0.179 -1.491 328 HD11 LEU 49 1HD1 LEU 49 -13.402 -2.533 -3.058 329 HD12 LEU 49 2HD1 LEU 49 -13.444 -0.868 -3.620 330 HD13 LEU 49 3HD1 LEU 49 -14.962 -1.699 -3.342 331 HD21 LEU 49 3HD2 LEU 49 -14.868 -1.841 0.218 332 HD22 LEU 49 1HD2 LEU 49 -13.895 -3.041 -0.646 333 HD23 LEU 49 2HD2 LEU 49 -15.492 -2.550 -1.274 334 H SER 50 H SER 50 -11.031 -1.919 1.900 335 HA SER 50 HA SER 50 -8.986 -0.019 2.511 336 HB2 SER 50 1HB SER 50 -9.153 -3.029 2.995 337 HB3 SER 50 2HB SER 50 -8.011 -1.922 3.781 338 HG SER 50 HG SER 50 -9.788 -0.765 4.613 339 H TRP 51 H TRP 51 -6.830 -0.075 2.012 340 HA TRP 51 HA TRP 51 -6.069 -1.624 -0.414 341 HB2 TRP 51 1HB TRP 51 -4.838 0.250 -1.258 342 HB3 TRP 51 2HB TRP 51 -6.472 0.777 -0.940 343 HD1 TRP 51 HD TRP 51 -2.872 1.355 0.022 344 HE1 TRP 51 1HE TRP 51 -2.661 3.538 1.332 345 HE3 TRP 51 3HE TRP 51 -7.835 2.238 0.935 346 HZ2 TRP 51 2HZ TRP 51 -4.416 5.480 2.554 347 HZ3 TRP 51 3HZ TRP 51 -8.519 4.258 2.217 348 HH2 TRP 51 HH TRP 51 -6.831 5.936 2.908 349 H ASN 52 H ASN 52 -3.862 -1.942 -0.702 350 HA ASN 52 HA ASN 52 -2.323 -2.403 1.815 351 HB2 ASN 52 1HB ASN 52 -3.058 -4.291 -0.070 352 HB3 ASN 52 2HB ASN 52 -1.526 -3.727 -0.749 353 HD21 ASN 52 1HD2 ASN 52 -2.964 -5.824 1.520 354 HD22 ASN 52 2HD2 ASN 52 -1.559 -6.143 2.502 355 H ALA 53 H ALA 53 0.152 -2.126 1.321 356 HA ALA 53 HA ALA 53 0.962 -0.814 -1.054 357 HB1 ALA 53 1HB ALA 53 0.132 1.221 0.352 358 HB2 ALA 53 2HB ALA 53 1.589 0.912 1.331 359 HB3 ALA 53 3HB ALA 53 1.748 1.265 -0.379 360 H SER 54 H SER 54 3.217 -1.185 -1.325 361 HA SER 54 HA SER 54 4.945 -1.547 0.955 362 HB2 SER 54 1HB SER 54 5.714 -3.872 -0.202 363 HB3 SER 54 2HB SER 54 4.636 -3.762 1.177 364 HG SER 54 HG SER 54 3.957 -4.216 -1.538 365 H GLY 55 H GLY 55 7.117 -1.517 0.434 366 HA2 GLY 55 1HA GLY 55 8.231 -1.825 -2.029 367 HA3 GLY 55 2HA GLY 55 7.850 -0.102 -1.988 368 H ASP 56 H ASP 56 8.418 0.815 0.471 369 HA ASP 56 HA ASP 56 11.355 0.317 0.682 370 HB2 ASP 56 1HB ASP 56 9.601 2.718 0.468 371 HB3 ASP 56 2HB ASP 56 10.896 2.843 1.639 372 H SER 57 H SER 57 12.315 0.372 2.728 373 HA SER 57 HA SER 57 11.015 -0.712 4.944 374 HB2 SER 57 1HB SER 57 13.540 1.001 4.787 375 HB3 SER 57 2HB SER 57 13.129 -0.077 6.122 376 HG SER 57 HG SER 57 13.529 -1.795 4.938 377 H TRP 58 H TRP 58 10.733 2.532 3.953 378 HA TRP 58 HA TRP 58 10.387 3.601 6.715 379 HB2 TRP 58 1HB TRP 58 11.531 5.649 5.820 380 HB3 TRP 58 2HB TRP 58 12.550 4.241 5.948 381 HD1 TRP 58 HD TRP 58 13.248 2.996 3.660 382 HE1 TRP 58 1HE TRP 58 13.503 3.838 1.250 383 HE3 TRP 58 3HE TRP 58 10.600 7.355 3.989 384 HZ2 TRP 58 2HZ TRP 58 13.199 6.347 -0.132 385 HZ3 TRP 58 3HZ TRP 58 10.521 8.916 2.085 386 HH2 TRP 58 HH TRP 58 11.912 8.483 0.040 387 H ILE 59 H ILE 59 8.449 2.705 4.373 388 HA ILE 59 HA ILE 59 6.992 5.284 4.246 389 HB ILE 59 HB ILE 59 7.373 3.353 1.946 390 HG12 ILE 59 1HG1 ILE 59 8.486 6.137 2.526 391 HG13 ILE 59 2HG1 ILE 59 9.408 4.648 2.319 392 HG21 ILE 59 1HG2 ILE 59 6.001 4.854 0.641 393 HG22 ILE 59 2HG2 ILE 59 5.118 4.632 2.157 394 HG23 ILE 59 3HG2 ILE 59 6.064 6.096 1.898 395 HD11 ILE 59 3HD1 ILE 59 8.724 4.591 -0.089 396 HD12 ILE 59 1HD1 ILE 59 7.903 6.141 0.141 397 HD13 ILE 59 2HD1 ILE 59 9.655 6.019 0.366 398 H HIS 60 H HIS 60 5.691 4.678 5.976 399 HA HIS 60 HA HIS 60 4.234 2.115 5.862 400 HB2 HIS 60 1HB HIS 60 4.394 4.015 8.190 401 HB3 HIS 60 2HB HIS 60 3.953 2.306 8.195 402 HD1 HIS 60 1HD HIS 60 6.283 0.651 7.275 403 HD2 HIS 60 2HD HIS 60 6.804 4.616 8.623 404 HE1 HIS 60 1HE HIS 60 8.720 0.879 7.914 405 H VAL 61 H VAL 61 1.934 1.985 6.034 406 HA VAL 61 HA VAL 61 0.469 4.542 5.580 407 HB VAL 61 HB VAL 61 1.019 3.643 3.430 408 HG11 VAL 61 1HG1 VAL 61 0.095 0.953 4.417 409 HG12 VAL 61 2HG1 VAL 61 -0.034 1.398 2.723 410 HG13 VAL 61 3HG1 VAL 61 1.542 1.423 3.553 411 HG21 VAL 61 3HG2 VAL 61 -1.216 4.665 3.789 412 HG22 VAL 61 1HG2 VAL 61 -1.113 3.546 2.425 413 HG23 VAL 61 2HG2 VAL 61 -1.903 3.033 3.937 414 H ASN 62 H ASN 62 -0.760 4.696 7.450 415 HA ASN 62 HA ASN 62 -2.066 2.209 8.409 416 HB2 ASN 62 1HB ASN 62 -0.972 4.663 9.767 417 HB3 ASN 62 2HB ASN 62 -2.334 3.806 10.469 418 HD21 ASN 62 1HD2 ASN 62 1.132 3.764 10.423 419 HD22 ASN 62 2HD2 ASN 62 1.286 2.106 10.876 420 H GLY 63 H GLY 63 -3.160 3.012 6.164 421 HA2 GLY 63 1HA GLY 63 -5.190 3.472 5.198 422 HA3 GLY 63 2HA GLY 63 -5.907 3.469 6.818 423 H SER 64 H SER 64 -6.752 5.459 7.499 424 HA SER 64 HA SER 64 -5.973 7.913 6.129 425 HB2 SER 64 1HB SER 64 -7.604 8.940 7.687 426 HB3 SER 64 2HB SER 64 -8.278 7.656 6.683 427 HG SER 64 HG SER 64 -7.367 7.261 9.339 428 H SER 65 H SER 65 -3.646 6.951 7.028 429 HA SER 65 HA SER 65 -2.645 9.169 8.440 430 HB2 SER 65 1HB SER 65 -2.621 6.481 9.869 431 HB3 SER 65 2HB SER 65 -1.423 7.744 10.184 432 HG SER 65 HG SER 65 -4.177 8.334 10.276 433 H VAL 66 H VAL 66 -0.345 9.271 8.093 434 HA VAL 66 HA VAL 66 0.894 7.152 6.469 435 HB VAL 66 HB VAL 66 -0.338 8.706 4.962 436 HG11 VAL 66 1HG1 VAL 66 -0.412 10.779 6.124 437 HG12 VAL 66 2HG1 VAL 66 1.359 10.884 6.224 438 HG13 VAL 66 3HG1 VAL 66 0.568 11.045 4.669 439 HG21 VAL 66 3HG2 VAL 66 1.464 9.211 3.418 440 HG22 VAL 66 1HG2 VAL 66 2.660 9.057 4.723 441 HG23 VAL 66 2HG2 VAL 66 1.691 7.646 4.209 442 H SER 67 H SER 67 3.226 7.131 6.834 443 HA SER 67 HA SER 67 4.389 9.356 8.286 444 HB2 SER 67 1HB SER 67 3.299 8.229 10.130 445 HB3 SER 67 2HB SER 67 4.107 6.694 9.673 446 HG SER 67 HG SER 67 4.962 8.782 11.161 447 H TYR 68 H TYR 68 5.897 9.549 6.902 448 HA TYR 68 HA TYR 68 7.548 7.175 6.174 449 HB2 TYR 68 1HB TYR 68 7.350 9.675 4.484 450 HB3 TYR 68 2HB TYR 68 8.094 8.152 4.067 451 HD1 TYR 68 1HD TYR 68 5.528 6.495 5.190 452 HD2 TYR 68 2HD TYR 68 6.088 9.717 2.406 453 HE1 TYR 68 1HE TYR 68 3.551 5.751 3.955 454 HE2 TYR 68 2HE TYR 68 4.063 9.038 1.215 455 HH TYR 68 HH TYR 68 2.119 7.501 1.288 456 H ASP 69 H ASP 69 9.757 7.341 6.489 457 HA ASP 69 HA ASP 69 10.599 9.573 8.288 458 HB2 ASP 69 1HB ASP 69 11.245 6.628 8.132 459 HB3 ASP 69 2HB ASP 69 12.469 7.713 8.769 460 H GLU 70 H GLU 70 13.032 9.965 8.294 461 HA GLU 70 HA GLU 70 14.169 10.283 5.624 462 HB2 GLU 70 1HB GLU 70 14.817 11.134 8.372 463 HB3 GLU 70 2HB GLU 70 16.228 10.610 7.464 464 HG2 GLU 70 1HG GLU 70 15.541 12.139 5.583 465 HG3 GLU 70 2HG GLU 70 14.297 12.802 6.651 466 H ASN 71 H ASN 71 16.158 9.364 5.035 467 HA ASN 71 HA ASN 71 16.634 6.535 5.609 468 HB2 ASN 71 1HB ASN 71 18.394 6.781 3.914 469 HB3 ASN 71 2HB ASN 71 16.915 7.497 3.339 470 HD21 ASN 71 1HD2 ASN 71 18.265 8.730 1.774 471 HD22 ASN 71 2HD2 ASN 71 19.344 9.980 2.321 472 HA PRO 72 HA PRO 72 19.570 7.258 8.800 473 HB2 PRO 72 1HB PRO 72 21.175 5.085 8.741 474 HB3 PRO 72 2HB PRO 72 19.405 4.942 8.962 475 HG2 PRO 72 1HG PRO 72 20.966 4.646 6.374 476 HG3 PRO 72 2HG PRO 72 19.730 3.537 7.056 477 HD2 PRO 72 1HD PRO 72 19.120 5.362 5.198 478 HD3 PRO 72 2HD PRO 72 17.976 4.918 6.493 479 H ALA 73 H ALA 73 20.820 7.579 5.611 480 HA ALA 73 HA ALA 73 23.447 8.569 6.629 481 HB1 ALA 73 1HB ALA 73 23.931 6.363 5.741 482 HB2 ALA 73 2HB ALA 73 22.941 6.660 4.286 483 HB3 ALA 73 3HB ALA 73 24.460 7.538 4.528 484 H LYS 74 H LYS 74 24.481 10.062 5.032 485 HA LYS 74 HA LYS 74 22.592 12.006 4.448 486 HB2 LYS 74 1HB LYS 74 24.592 13.311 3.562 487 HB3 LYS 74 2HB LYS 74 24.568 12.795 5.222 488 HG2 LYS 74 1HG LYS 74 26.775 12.444 4.394 489 HG3 LYS 74 2HG LYS 74 26.019 10.873 4.675 490 HD2 LYS 74 1HD LYS 74 25.608 10.666 2.207 491 HD3 LYS 74 2HD LYS 74 26.288 12.272 1.993 492 HE2 LYS 74 1HE LYS 74 28.225 11.240 1.588 493 HE3 LYS 74 2HE LYS 74 28.330 10.983 3.341 494 HZ1 LYS 74 3HZ LYS 74 28.596 8.932 1.961 495 HZ2 LYS 74 1HZ LYS 74 27.080 9.101 1.417 496 HZ3 LYS 74 2HZ LYS 74 27.348 8.819 3.034 497 H GLU 75 H GLU 75 22.748 9.455 2.639 498 HA GLU 75 HA GLU 75 23.616 10.414 0.091 499 HB2 GLU 75 1HB GLU 75 23.035 8.224 -0.740 500 HB3 GLU 75 2HB GLU 75 23.877 8.053 0.800 501 HG2 GLU 75 1HG GLU 75 21.629 7.923 1.928 502 HG3 GLU 75 2HG GLU 75 20.864 7.923 0.334 503 H ARG 76 H ARG 76 21.971 10.244 -1.796 504 HA ARG 76 HA ARG 76 19.333 11.363 -0.955 505 HB2 ARG 76 1HB ARG 76 20.911 12.353 -2.901 506 HB3 ARG 76 2HB ARG 76 20.084 11.109 -3.862 507 HG2 ARG 76 1HG ARG 76 17.896 12.043 -2.938 508 HG3 ARG 76 2HG ARG 76 18.825 13.345 -2.201 509 HD2 ARG 76 1HD ARG 76 18.771 12.750 -5.191 510 HD3 ARG 76 2HD ARG 76 17.709 13.908 -4.403 511 HE ARG 76 HE ARG 76 20.624 14.157 -4.855 512 HH11 ARG 76 1HH1 ARG 76 17.649 15.755 -3.574 513 HH12 ARG 76 2HH1 ARG 76 18.459 17.269 -3.425 514 HH21 ARG 76 1HH2 ARG 76 21.541 16.204 -4.695 515 HH22 ARG 76 2HH2 ARG 76 20.633 17.546 -4.052 516 H ARG 77 H ARG 77 17.391 10.237 -1.545 517 HA ARG 77 HA ARG 77 17.621 7.761 -3.105 518 HB2 ARG 77 1HB ARG 77 16.177 7.880 -0.406 519 HB3 ARG 77 2HB ARG 77 16.067 6.560 -1.570 520 HG2 ARG 77 1HG ARG 77 18.544 6.198 -1.338 521 HG3 ARG 77 2HG ARG 77 18.563 7.426 -0.062 522 HD2 ARG 77 1HD ARG 77 17.023 6.042 1.304 523 HD3 ARG 77 2HD ARG 77 17.024 4.797 0.029 524 HE ARG 77 HE ARG 77 19.691 5.255 0.507 525 HH11 ARG 77 1HH1 ARG 77 17.065 3.939 2.563 526 HH12 ARG 77 2HH1 ARG 77 18.143 3.180 3.625 527 HH21 ARG 77 1HH2 ARG 77 21.090 4.399 1.973 528 HH22 ARG 77 2HH2 ARG 77 20.578 3.449 3.309 529 H THR 78 H THR 78 15.652 7.307 -4.169 530 HA THR 78 HA THR 78 13.479 9.298 -3.814 531 HB THR 78 HB THR 78 14.123 7.698 -6.308 532 HG1 THR 78 1HG THR 78 15.330 9.242 -6.812 533 HG21 THR 78 3HG2 THR 78 11.903 9.678 -5.558 534 HG22 THR 78 1HG2 THR 78 11.732 8.030 -6.159 535 HG23 THR 78 2HG2 THR 78 12.289 9.315 -7.241 536 H GLY 79 H GLY 79 12.156 8.296 -2.398 537 HA2 GLY 79 1HA GLY 79 11.873 5.420 -2.107 538 HA3 GLY 79 2HA GLY 79 10.786 6.669 -1.474 539 H LEU 80 H LEU 80 10.123 4.106 -2.914 540 HA LEU 80 HA LEU 80 8.047 5.265 -4.499 541 HB2 LEU 80 1HB LEU 80 10.103 5.167 -6.130 542 HB3 LEU 80 2HB LEU 80 9.894 3.420 -6.061 543 HG LEU 80 HG LEU 80 7.519 3.728 -6.868 544 HD11 LEU 80 1HD1 LEU 80 8.426 6.619 -7.308 545 HD12 LEU 80 2HD1 LEU 80 7.164 6.108 -6.182 546 HD13 LEU 80 3HD1 LEU 80 6.891 5.911 -7.883 547 HD21 LEU 80 3HD2 LEU 80 9.590 5.002 -8.717 548 HD22 LEU 80 1HD2 LEU 80 8.099 4.140 -9.181 549 HD23 LEU 80 2HD2 LEU 80 9.429 3.267 -8.440 550 H VAL 81 H VAL 81 6.322 4.040 -3.924 551 HA VAL 81 HA VAL 81 6.700 1.112 -3.518 552 HB VAL 81 HB VAL 81 5.370 1.149 -1.570 553 HG11 VAL 81 1HG1 VAL 81 6.597 2.424 -0.010 554 HG12 VAL 81 2HG1 VAL 81 7.738 2.058 -1.313 555 HG13 VAL 81 3HG1 VAL 81 7.004 3.667 -1.213 556 HG21 VAL 81 3HG2 VAL 81 3.531 2.541 -2.036 557 HG22 VAL 81 1HG2 VAL 81 4.326 3.260 -0.645 558 HG23 VAL 81 2HG2 VAL 81 4.564 3.992 -2.241 559 H THR 82 H THR 82 4.501 -0.087 -3.704 560 HA THR 82 HA THR 82 2.611 1.452 -5.441 561 HB THR 82 HB THR 82 3.190 -1.523 -5.677 562 HG1 THR 82 1HG THR 82 4.906 -0.523 -6.435 563 HG21 THR 82 3HG2 THR 82 1.520 0.411 -7.363 564 HG22 THR 82 1HG2 THR 82 0.903 -0.909 -6.366 565 HG23 THR 82 2HG2 THR 82 1.865 -1.298 -7.775 566 H LEU 83 H LEU 83 0.465 1.229 -4.955 567 HA LEU 83 HA LEU 83 -0.346 -0.519 -2.721 568 HB2 LEU 83 1HB LEU 83 -2.069 1.255 -2.250 569 HB3 LEU 83 2HB LEU 83 -0.462 1.758 -1.844 570 HG LEU 83 HG LEU 83 -1.178 2.558 -4.572 571 HD11 LEU 83 1HD1 LEU 83 -3.346 2.726 -3.217 572 HD12 LEU 83 2HD1 LEU 83 -2.750 4.165 -3.992 573 HD13 LEU 83 3HD1 LEU 83 -2.509 3.949 -2.234 574 HD21 LEU 83 3HD2 LEU 83 0.018 3.865 -2.075 575 HD22 LEU 83 1HD2 LEU 83 -0.002 4.600 -3.657 576 HD23 LEU 83 2HD2 LEU 83 0.941 3.147 -3.398 577 H LYS 84 H LYS 84 -2.656 -1.133 -2.866 578 HA LYS 84 HA LYS 84 -4.065 -0.626 -5.391 579 HB2 LYS 84 1HB LYS 84 -2.602 -2.795 -5.616 580 HB3 LYS 84 2HB LYS 84 -3.727 -3.485 -4.434 581 HG2 LYS 84 1HG LYS 84 -5.620 -2.777 -6.019 582 HG3 LYS 84 2HG LYS 84 -4.362 -2.365 -7.193 583 HD2 LYS 84 1HD LYS 84 -3.572 -4.694 -7.190 584 HD3 LYS 84 2HD LYS 84 -4.766 -5.125 -5.939 585 HE2 LYS 84 1HE LYS 84 -6.620 -4.702 -7.379 586 HE3 LYS 84 2HE LYS 84 -5.623 -3.854 -8.561 587 HZ1 LYS 84 3HZ LYS 84 -4.596 -5.863 -9.196 588 HZ2 LYS 84 1HZ LYS 84 -6.208 -6.107 -9.229 589 HZ3 LYS 84 2HZ LYS 84 -5.323 -6.744 -7.999 590 H GLN 85 H GLN 85 -6.232 -0.655 -5.023 591 HA GLN 85 HA GLN 85 -7.328 -0.838 -2.304 592 HB2 GLN 85 1HB GLN 85 -8.164 0.827 -3.922 593 HB3 GLN 85 2HB GLN 85 -8.619 -0.468 -5.035 594 HG2 GLN 85 1HG GLN 85 -10.388 -1.225 -3.562 595 HG3 GLN 85 2HG GLN 85 -9.974 -0.071 -2.295 596 HE21 GLN 85 1HE2 GLN 85 -9.830 2.429 -3.380 597 HE22 GLN 85 2HE2 GLN 85 -11.253 2.702 -4.382 598 H ASP 86 H ASP 86 -9.036 -2.345 -1.838 599 HA ASP 86 HA ASP 86 -8.744 -5.056 -2.370 600 HB2 ASP 86 1HB ASP 86 -9.936 -4.028 -0.501 601 HB3 ASP 86 2HB ASP 86 -11.161 -3.392 -1.591 602 H GLU 87 H GLU 87 -11.824 -3.615 -3.495 603 HA GLU 87 HA GLU 87 -11.784 -5.597 -5.608 604 HB2 GLU 87 1HB GLU 87 -13.921 -3.539 -4.962 605 HB3 GLU 87 2HB GLU 87 -14.080 -4.979 -5.947 606 HG2 GLU 87 1HG GLU 87 -13.563 -6.400 -3.957 607 HG3 GLU 87 2HG GLU 87 -13.593 -4.942 -2.959 608 H SER 88 H SER 88 -10.648 -2.565 -5.621 609 HA SER 88 HA SER 88 -10.960 -2.165 -8.552 610 HB2 SER 88 1HB SER 88 -12.149 -0.438 -7.103 611 HB3 SER 88 2HB SER 88 -10.562 0.016 -6.528 612 HG SER 88 HG SER 88 -11.852 0.551 -8.890 613 H GLY 89 H GLY 89 -8.800 -0.005 -8.259 614 HA2 GLY 89 1HA GLY 89 -6.369 -1.445 -7.855 615 HA3 GLY 89 2HA GLY 89 -7.021 -1.845 -9.458 616 H LYS 90 H LYS 90 -7.167 1.405 -7.607 617 HA LYS 90 HA LYS 90 -5.728 2.802 -9.580 618 HB2 LYS 90 1HB LYS 90 -7.567 3.601 -8.009 619 HB3 LYS 90 2HB LYS 90 -6.581 2.940 -6.683 620 HG2 LYS 90 1HG LYS 90 -6.275 5.054 -6.430 621 HG3 LYS 90 2HG LYS 90 -4.836 4.498 -7.262 622 HD2 LYS 90 1HD LYS 90 -7.134 5.582 -8.858 623 HD3 LYS 90 2HD LYS 90 -6.189 6.775 -7.995 624 HE2 LYS 90 1HE LYS 90 -4.333 6.503 -9.362 625 HE3 LYS 90 2HE LYS 90 -4.699 4.796 -9.687 626 HZ1 LYS 90 3HZ LYS 90 -6.290 7.039 -10.813 627 HZ2 LYS 90 1HZ LYS 90 -6.511 5.437 -11.055 628 HZ3 LYS 90 2HZ LYS 90 -5.148 6.147 -11.608 629 H THR 91 H THR 91 -3.654 3.009 -9.334 630 HA THR 91 HA THR 91 -2.148 2.004 -7.000 631 HB THR 91 HB THR 91 -0.171 1.720 -8.460 632 HG1 THR 91 1HG THR 91 -2.009 2.362 -10.492 633 HG21 THR 91 3HG2 THR 91 -2.496 -0.012 -9.424 634 HG22 THR 91 1HG2 THR 91 -1.577 -0.287 -7.937 635 HG23 THR 91 2HG2 THR 91 -0.763 -0.395 -9.505 636 H LEU 92 H LEU 92 -0.826 3.771 -6.096 637 HA LEU 92 HA LEU 92 -1.335 6.398 -7.474 638 HB2 LEU 92 1HB LEU 92 -1.346 5.825 -4.529 639 HB3 LEU 92 2HB LEU 92 -1.356 7.434 -5.238 640 HG LEU 92 HG LEU 92 -3.597 5.437 -5.641 641 HD11 LEU 92 1HD1 LEU 92 -4.863 6.710 -3.985 642 HD12 LEU 92 2HD1 LEU 92 -3.480 7.776 -3.693 643 HD13 LEU 92 3HD1 LEU 92 -3.385 6.075 -3.226 644 HD21 LEU 92 3HD2 LEU 92 -4.880 7.474 -6.275 645 HD22 LEU 92 1HD2 LEU 92 -3.502 7.185 -7.368 646 HD23 LEU 92 2HD2 LEU 92 -3.406 8.429 -6.092 647 H SER 93 H SER 93 0.559 7.082 -8.221 648 HA SER 93 HA SER 93 2.969 5.790 -7.412 649 HB2 SER 93 1HB SER 93 2.782 8.415 -8.910 650 HB3 SER 93 2HB SER 93 4.142 7.285 -8.890 651 HG SER 93 HG SER 93 2.885 7.019 -10.744 652 H LEU 94 H LEU 94 4.581 6.445 -5.875 653 HA LEU 94 HA LEU 94 4.073 9.033 -4.499 654 HB2 LEU 94 1HB LEU 94 2.928 6.904 -3.435 655 HB3 LEU 94 2HB LEU 94 4.529 6.648 -2.743 656 HG LEU 94 HG LEU 94 2.868 9.219 -2.561 657 HD11 LEU 94 1HD1 LEU 94 1.938 7.295 -1.312 658 HD12 LEU 94 2HD1 LEU 94 2.484 8.600 -0.251 659 HD13 LEU 94 3HD1 LEU 94 3.489 7.128 -0.469 660 HD21 LEU 94 3HD2 LEU 94 4.516 9.906 -0.809 661 HD22 LEU 94 1HD2 LEU 94 5.229 9.820 -2.394 662 HD23 LEU 94 2HD2 LEU 94 5.512 8.491 -1.243 663 H LYS 95 H LYS 95 5.860 10.038 -5.056 664 HA LYS 95 HA LYS 95 8.497 8.709 -4.602 665 HB2 LYS 95 1HB LYS 95 7.583 10.969 -6.375 666 HB3 LYS 95 2HB LYS 95 9.259 10.917 -5.803 667 HG2 LYS 95 1HG LYS 95 9.437 8.622 -6.848 668 HG3 LYS 95 2HG LYS 95 7.855 8.915 -7.598 669 HD2 LYS 95 1HD LYS 95 10.392 10.581 -7.978 670 HD3 LYS 95 2HD LYS 95 9.706 9.439 -9.150 671 HE2 LYS 95 1HE LYS 95 7.693 10.818 -9.369 672 HE3 LYS 95 2HE LYS 95 8.270 11.898 -8.096 673 HZ1 LYS 95 3HZ LYS 95 8.624 12.810 -10.303 674 HZ2 LYS 95 1HZ LYS 95 9.622 11.561 -10.704 675 HZ3 LYS 95 2HZ LYS 95 10.068 12.591 -9.536 676 H ILE 96 H ILE 96 9.704 9.457 -2.948 677 HA ILE 96 HA ILE 96 9.220 12.227 -1.983 678 HB ILE 96 HB ILE 96 10.358 9.951 -0.331 679 HG12 ILE 96 1HG1 ILE 96 8.239 10.642 1.152 680 HG13 ILE 96 2HG1 ILE 96 7.536 11.007 -0.418 681 HG21 ILE 96 1HG2 ILE 96 9.594 12.782 0.486 682 HG22 ILE 96 2HG2 ILE 96 10.373 11.549 1.497 683 HG23 ILE 96 3HG2 ILE 96 11.246 12.236 0.125 684 HD11 ILE 96 3HD1 ILE 96 7.063 8.698 0.412 685 HD12 ILE 96 1HD1 ILE 96 7.978 8.633 -1.104 686 HD13 ILE 96 2HD1 ILE 96 8.792 8.359 0.450 687 H VAL 97 H VAL 97 10.903 13.420 -2.885 688 HA VAL 97 HA VAL 97 13.456 12.013 -3.522 689 HB VAL 97 HB VAL 97 12.066 14.442 -4.700 690 HG11 VAL 97 1HG1 VAL 97 13.835 14.487 -6.417 691 HG12 VAL 97 2HG1 VAL 97 14.564 14.663 -4.819 692 HG13 VAL 97 3HG1 VAL 97 14.638 13.111 -5.662 693 HG21 VAL 97 3HG2 VAL 97 12.605 11.752 -5.990 694 HG22 VAL 97 1HG2 VAL 97 11.017 12.316 -5.409 695 HG23 VAL 97 2HG2 VAL 97 11.806 13.140 -6.747 696 H GLN 98 H GLN 98 14.082 12.203 -1.280 697 HA GLN 98 HA GLN 98 14.164 14.966 -0.192 698 HB2 GLN 98 1HB GLN 98 14.231 13.868 2.026 699 HB3 GLN 98 2HB GLN 98 12.740 13.627 1.142 700 HG2 GLN 98 1HG GLN 98 13.321 11.325 0.636 701 HG3 GLN 98 2HG GLN 98 14.941 11.546 1.298 702 HE21 GLN 98 1HE2 GLN 98 12.454 9.741 2.201 703 HE22 GLN 98 2HE2 GLN 98 12.396 10.094 3.903 704 HA PRO 99 HA PRO 99 18.673 14.502 0.317 705 HB2 PRO 99 1HB PRO 99 19.078 16.015 2.577 706 HB3 PRO 99 2HB PRO 99 18.716 16.748 0.989 707 HG2 PRO 99 1HG PRO 99 16.797 16.257 3.260 708 HG3 PRO 99 2HG PRO 99 16.992 17.708 2.244 709 HD2 PRO 99 1HD PRO 99 15.081 15.799 1.787 710 HD3 PRO 99 2HD PRO 99 15.824 16.740 0.470 711 H GLY 100 H GLY 100 20.116 13.938 2.482 712 HA2 GLY 100 1HA GLY 100 18.637 11.895 4.019 713 HA3 GLY 100 2HA GLY 100 20.169 11.519 3.202 714 H LYS 101 H LYS 101 19.965 11.104 5.784 715 HA LYS 101 HA LYS 101 20.204 13.527 7.370 716 HB2 LYS 101 1HB LYS 101 18.711 11.564 7.850 717 HB3 LYS 101 2HB LYS 101 20.144 10.604 8.230 718 HG2 LYS 101 1HG LYS 101 20.682 12.212 10.070 719 HG3 LYS 101 2HG LYS 101 19.207 13.117 9.710 720 HD2 LYS 101 1HD LYS 101 19.210 10.143 10.376 721 HD3 LYS 101 2HD LYS 101 19.130 11.366 11.632 722 HE2 LYS 101 1HE LYS 101 17.119 11.398 9.347 723 HE3 LYS 101 2HE LYS 101 16.918 10.287 10.708 724 HZ1 LYS 101 3HZ LYS 101 17.065 13.226 10.909 725 HZ2 LYS 101 1HZ LYS 101 16.910 12.189 12.203 726 HZ3 LYS 101 2HZ LYS 101 15.741 12.315 11.068 727 H THR 102 H THR 102 21.964 14.240 8.566 728 HA THR 102 HA THR 102 24.013 12.436 9.401 729 HB THR 102 HB THR 102 25.717 14.456 8.738 730 HG1 THR 102 1HG THR 102 24.130 15.386 7.359 731 HG21 THR 102 3HG2 THR 102 26.643 12.964 6.995 732 HG22 THR 102 1HG2 THR 102 25.204 11.931 7.150 733 HG23 THR 102 2HG2 THR 102 26.287 12.146 8.526 734 H SER 103 H SER 103 23.190 12.835 11.433 735 HA SER 103 HA SER 103 23.840 15.498 12.535 736 HB2 SER 103 1HB SER 103 21.800 15.526 13.824 737 HB3 SER 103 2HB SER 103 21.394 15.429 12.109 738 HG SER 103 HG SER 103 20.361 13.999 13.809 739 H ILE 104 H ILE 104 23.192 14.860 15.213 740 HA ILE 104 HA ILE 104 24.909 12.552 15.823 741 HB ILE 104 HB ILE 104 25.817 14.838 16.300 742 HG12 ILE 104 1HG1 ILE 104 26.464 14.458 18.676 743 HG13 ILE 104 2HG1 ILE 104 25.349 13.100 18.723 744 HG21 ILE 104 1HG2 ILE 104 24.957 16.207 18.095 745 HG22 ILE 104 2HG2 ILE 104 23.699 16.005 16.877 746 HG23 ILE 104 3HG2 ILE 104 23.624 15.073 18.390 747 HD11 ILE 104 3HD1 ILE 104 26.676 11.945 16.966 748 HD12 ILE 104 1HD1 ILE 104 27.736 13.371 16.837 749 HD13 ILE 104 2HD1 ILE 104 27.706 12.411 18.328 750 H ASP 105 H ASP 105 21.885 12.865 15.228 751 HA ASP 105 HA ASP 105 20.458 12.532 17.719 752 HB2 ASP 105 1HB ASP 105 19.705 11.988 14.813 753 HB3 ASP 105 2HB ASP 105 18.628 11.631 16.172 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -38.200 0.134 -6.261 2 HA2 GLY 1 1HA GLY 1 -36.275 -0.545 -4.861 3 HA3 GLY 1 2HA GLY 1 -35.975 -0.851 -6.594 4 H HIS 2 H HIS 2 -33.646 -0.593 -5.190 5 HA HIS 2 HA HIS 2 -32.840 2.262 -5.464 6 HB2 HIS 2 1HB HIS 2 -31.747 0.149 -3.578 7 HB3 HIS 2 2HB HIS 2 -31.263 1.842 -3.672 8 HD1 HIS 2 1HD HIS 2 -33.267 3.668 -2.849 9 HD2 HIS 2 2HD HIS 2 -33.847 -0.456 -2.120 10 HE1 HIS 2 1HE HIS 2 -35.206 3.470 -1.198 11 H MET 3 H MET 3 -32.508 1.779 -7.740 12 HA MET 3 HA MET 3 -29.822 1.564 -8.249 13 HB2 MET 3 1HB MET 3 -31.280 -0.984 -8.719 14 HB3 MET 3 2HB MET 3 -30.562 -0.342 -10.196 15 HG2 MET 3 1HG MET 3 -28.385 -0.083 -9.048 16 HG3 MET 3 2HG MET 3 -29.059 -0.801 -7.589 17 HE1 MET 3 3HE MET 3 -29.509 -4.554 -8.543 18 HE2 MET 3 1HE MET 3 -29.612 -3.331 -7.259 19 HE3 MET 3 2HE MET 3 -30.779 -3.315 -8.606 20 H GLY 4 H GLY 4 -29.694 1.769 -10.870 21 HA2 GLY 4 1HA GLY 4 -31.288 2.812 -12.647 22 HA3 GLY 4 2HA GLY 4 -31.563 4.019 -11.378 23 H SER 5 H SER 5 -28.341 2.827 -11.163 24 HA SER 5 HA SER 5 -27.162 4.355 -13.247 25 HB2 SER 5 1HB SER 5 -25.570 5.315 -11.307 26 HB3 SER 5 2HB SER 5 -26.990 6.204 -11.865 27 HG SER 5 HG SER 5 -28.094 5.655 -10.119 28 HA PRO 6 HA PRO 6 -24.429 0.858 -12.584 29 HB2 PRO 6 1HB PRO 6 -22.008 1.741 -13.492 30 HB3 PRO 6 2HB PRO 6 -23.386 1.475 -14.601 31 HG2 PRO 6 1HG PRO 6 -22.526 4.082 -13.316 32 HG3 PRO 6 2HG PRO 6 -22.845 3.770 -15.049 33 HD2 PRO 6 1HD PRO 6 -24.743 4.849 -13.446 34 HD3 PRO 6 2HD PRO 6 -25.185 3.646 -14.689 35 H VAL 7 H VAL 7 -22.546 0.231 -11.225 36 HA VAL 7 HA VAL 7 -22.331 1.903 -8.840 37 HB VAL 7 HB VAL 7 -22.378 -0.456 -8.513 38 HG11 VAL 7 1HG1 VAL 7 -20.655 -2.006 -9.242 39 HG12 VAL 7 2HG1 VAL 7 -21.472 -1.297 -10.636 40 HG13 VAL 7 3HG1 VAL 7 -19.857 -0.706 -10.185 41 HG21 VAL 7 3HG2 VAL 7 -20.467 -0.794 -7.091 42 HG22 VAL 7 1HG2 VAL 7 -19.531 0.448 -7.981 43 HG23 VAL 7 2HG2 VAL 7 -20.890 0.912 -6.986 44 H SER 8 H SER 8 -20.550 3.028 -8.137 45 HA SER 8 HA SER 8 -18.331 3.538 -10.062 46 HB2 SER 8 1HB SER 8 -20.246 5.356 -8.620 47 HB3 SER 8 2HB SER 8 -18.554 5.810 -8.562 48 HG SER 8 HG SER 8 -20.311 5.958 -10.629 49 H TYR 9 H TYR 9 -16.309 3.690 -9.132 50 HA TYR 9 HA TYR 9 -15.997 3.210 -6.205 51 HB2 TYR 9 1HB TYR 9 -14.779 1.799 -8.570 52 HB3 TYR 9 2HB TYR 9 -13.824 2.016 -7.142 53 HD1 TYR 9 1HD TYR 9 -17.416 1.011 -7.725 54 HD2 TYR 9 2HD TYR 9 -13.705 0.083 -5.762 55 HE1 TYR 9 1HE TYR 9 -18.314 -1.162 -7.000 56 HE2 TYR 9 2HE TYR 9 -14.509 -2.180 -5.293 57 HH TYR 9 HH TYR 9 -16.390 -3.685 -5.405 58 H TYR 10 H TYR 10 -14.523 4.470 -5.257 59 HA TYR 10 HA TYR 10 -13.094 6.533 -6.853 60 HB2 TYR 10 1HB TYR 10 -14.416 6.680 -4.097 61 HB3 TYR 10 2HB TYR 10 -13.539 7.968 -4.930 62 HD1 TYR 10 1HD TYR 10 -16.703 5.950 -4.937 63 HD2 TYR 10 2HD TYR 10 -14.498 9.240 -6.654 64 HE1 TYR 10 1HE TYR 10 -18.752 6.664 -6.111 65 HE2 TYR 10 2HE TYR 10 -16.515 9.929 -7.926 66 HH TYR 10 HH TYR 10 -18.887 9.722 -7.898 67 H PHE 11 H PHE 11 -10.920 6.164 -6.694 68 HA PHE 11 HA PHE 11 -9.659 5.320 -4.156 69 HB2 PHE 11 1HB PHE 11 -10.079 3.289 -5.562 70 HB3 PHE 11 2HB PHE 11 -9.238 4.031 -6.893 71 HD1 PHE 11 2HD PHE 11 -6.998 5.029 -4.441 72 HD2 PHE 11 1HD PHE 11 -8.573 1.417 -6.169 73 HE1 PHE 11 2HE PHE 11 -5.011 3.832 -3.729 74 HE2 PHE 11 1HE PHE 11 -6.521 0.207 -5.462 75 HZ PHE 11 HZ PHE 11 -4.746 1.413 -4.183 76 H SER 12 H SER 12 -9.339 7.762 -4.252 77 HA SER 12 HA SER 12 -6.872 8.493 -5.445 78 HB2 SER 12 1HB SER 12 -7.984 10.294 -6.946 79 HB3 SER 12 2HB SER 12 -7.796 8.664 -7.531 80 HG SER 12 HG SER 12 -10.083 9.976 -7.406 81 H TYR 13 H TYR 13 -6.769 11.150 -5.291 82 HA TYR 13 HA TYR 13 -7.439 11.712 -2.469 83 HB2 TYR 13 1HB TYR 13 -5.843 13.203 -4.594 84 HB3 TYR 13 2HB TYR 13 -6.172 13.820 -2.999 85 HD1 TYR 13 2HD TYR 13 -5.167 12.907 -1.022 86 HD2 TYR 13 1HD TYR 13 -4.195 11.352 -4.936 87 HE1 TYR 13 2HE TYR 13 -3.259 11.724 -0.066 88 HE2 TYR 13 1HE TYR 13 -2.273 10.088 -3.948 89 HH TYR 13 HH TYR 13 -1.663 10.115 -0.406 90 H ALA 14 H ALA 14 -8.570 13.672 -1.907 91 HA ALA 14 HA ALA 14 -10.533 14.631 -3.889 92 HB1 ALA 14 1HB ALA 14 -9.949 15.555 -1.049 93 HB2 ALA 14 2HB ALA 14 -11.303 16.064 -2.072 94 HB3 ALA 14 3HB ALA 14 -11.198 14.382 -1.514 95 H ASP 15 H ASP 15 -7.958 16.160 -1.858 96 HA ASP 15 HA ASP 15 -8.064 18.534 -3.585 97 HB2 ASP 15 1HB ASP 15 -7.497 19.750 -1.642 98 HB3 ASP 15 2HB ASP 15 -8.774 18.626 -1.181 99 H GLY 16 H GLY 16 -6.433 16.233 -4.315 100 HA2 GLY 16 1HA GLY 16 -4.112 17.807 -4.870 101 HA3 GLY 16 2HA GLY 16 -3.661 16.418 -3.894 102 H GLY 17 H GLY 17 -6.112 15.128 -5.734 103 HA2 GLY 17 1HA GLY 17 -6.229 14.673 -8.047 104 HA3 GLY 17 2HA GLY 17 -4.494 14.781 -8.204 105 H THR 18 H THR 18 -3.517 12.852 -8.453 106 HA THR 18 HA THR 18 -4.817 10.356 -7.516 107 HB THR 18 HB THR 18 -3.995 9.742 -10.093 108 HG1 THR 18 1HG THR 18 -3.808 12.103 -10.407 109 HG21 THR 18 3HG2 THR 18 -6.740 10.714 -9.204 110 HG22 THR 18 1HG2 THR 18 -6.059 9.106 -8.895 111 HG23 THR 18 2HG2 THR 18 -6.377 9.596 -10.555 112 H SER 19 H SER 19 -2.096 12.001 -7.106 113 HA SER 19 HA SER 19 -1.033 9.554 -6.155 114 HB2 SER 19 1HB SER 19 -0.062 9.684 -8.574 115 HB3 SER 19 2HB SER 19 1.011 10.943 -7.911 116 HG SER 19 HG SER 19 1.665 8.587 -7.741 117 H HIS 20 H HIS 20 1.440 10.294 -5.354 118 HA HIS 20 HA HIS 20 1.138 12.709 -3.683 119 HB2 HIS 20 1HB HIS 20 1.871 11.241 -1.699 120 HB3 HIS 20 2HB HIS 20 0.199 11.281 -2.186 121 HD1 HIS 20 1HD HIS 20 0.348 8.908 -0.545 122 HD2 HIS 20 2HD HIS 20 1.758 8.805 -4.510 123 HE1 HIS 20 1HE HIS 20 0.309 6.507 -1.260 124 H THR 21 H THR 21 2.991 13.809 -4.235 125 HA THR 21 HA THR 21 5.544 12.290 -4.271 126 HB THR 21 HB THR 21 4.785 14.437 -6.261 127 HG1 THR 21 1HG THR 21 3.640 12.683 -6.737 128 HG21 THR 21 3HG2 THR 21 7.214 14.292 -5.755 129 HG22 THR 21 1HG2 THR 21 6.866 13.728 -7.413 130 HG23 THR 21 2HG2 THR 21 7.212 12.605 -6.093 131 H GLU 22 H GLU 22 6.097 13.023 -2.226 132 HA GLU 22 HA GLU 22 5.826 15.896 -1.666 133 HB2 GLU 22 1HB GLU 22 5.436 13.763 -0.037 134 HB3 GLU 22 2HB GLU 22 7.157 13.971 0.250 135 HG2 GLU 22 1HG GLU 22 5.968 15.241 1.927 136 HG3 GLU 22 2HG GLU 22 6.673 16.401 0.809 137 H TYR 23 H TYR 23 7.478 17.293 -1.608 138 HA TYR 23 HA TYR 23 10.231 16.322 -2.210 139 HB2 TYR 23 1HB TYR 23 8.738 18.781 -3.201 140 HB3 TYR 23 2HB TYR 23 10.451 18.511 -3.414 141 HD1 TYR 23 1HD TYR 23 11.268 16.619 -4.833 142 HD2 TYR 23 2HD TYR 23 7.110 17.636 -4.608 143 HE1 TYR 23 1HE TYR 23 10.924 15.639 -7.096 144 HE2 TYR 23 2HE TYR 23 6.736 16.731 -6.881 145 HH TYR 23 HH TYR 23 7.758 15.448 -8.700 146 HA PRO 24 HA PRO 24 10.054 18.834 1.740 147 HB2 PRO 24 1HB PRO 24 11.425 17.150 3.402 148 HB3 PRO 24 2HB PRO 24 9.666 17.013 3.096 149 HG2 PRO 24 1HG PRO 24 11.908 15.448 1.800 150 HG3 PRO 24 2HG PRO 24 10.380 14.829 2.496 151 HD2 PRO 24 1HD PRO 24 10.682 15.297 -0.192 152 HD3 PRO 24 2HD PRO 24 9.128 15.558 0.658 153 H ASP 25 H ASP 25 12.159 19.492 3.076 154 HA ASP 25 HA ASP 25 14.634 19.227 1.677 155 HB2 ASP 25 1HB ASP 25 14.994 21.380 0.916 156 HB3 ASP 25 2HB ASP 25 13.346 21.085 0.395 157 H ASP 26 H ASP 26 16.310 20.277 2.890 158 HA ASP 26 HA ASP 26 17.538 20.286 4.726 159 HB2 ASP 26 1HB ASP 26 16.376 22.548 4.850 160 HB3 ASP 26 2HB ASP 26 15.395 21.890 6.156 161 H SER 27 H SER 27 14.468 20.140 6.548 162 HA SER 27 HA SER 27 14.774 17.295 7.134 163 HB2 SER 27 1HB SER 27 16.262 18.226 8.776 164 HB3 SER 27 2HB SER 27 15.036 19.392 9.302 165 HG SER 27 HG SER 27 15.325 17.271 10.503 166 H SER 28 H SER 28 12.688 17.138 5.982 167 HA SER 28 HA SER 28 10.609 17.492 8.060 168 HB2 SER 28 1HB SER 28 10.188 18.427 5.208 169 HB3 SER 28 2HB SER 28 8.933 18.279 6.456 170 HG SER 28 HG SER 28 11.106 19.736 7.270 171 H ALA 29 H ALA 29 10.702 15.256 8.402 172 HA ALA 29 HA ALA 29 9.166 13.680 6.437 173 HB1 ALA 29 1HB ALA 29 11.555 12.985 6.127 174 HB2 ALA 29 2HB ALA 29 11.626 12.552 7.855 175 HB3 ALA 29 3HB ALA 29 10.526 11.691 6.761 176 H GLY 30 H GLY 30 7.470 12.447 7.557 177 HA2 GLY 30 1HA GLY 30 7.602 11.998 10.359 178 HA3 GLY 30 2HA GLY 30 6.753 13.500 9.966 179 H SER 31 H SER 31 5.084 12.122 11.098 180 HA SER 31 HA SER 31 3.646 10.281 9.264 181 HB2 SER 31 1HB SER 31 2.604 9.595 11.516 182 HB3 SER 31 2HB SER 31 4.266 9.096 11.135 183 HG SER 31 HG SER 31 3.471 11.203 12.835 184 H PHE 32 H PHE 32 2.054 11.279 8.198 185 HA PHE 32 HA PHE 32 0.286 13.185 9.632 186 HB2 PHE 32 1HB PHE 32 0.353 14.730 7.696 187 HB3 PHE 32 2HB PHE 32 1.844 14.589 8.591 188 HD1 PHE 32 2HD PHE 32 0.233 13.338 5.433 189 HD2 PHE 32 1HD PHE 32 3.883 14.260 7.546 190 HE1 PHE 32 2HE PHE 32 1.546 13.038 3.340 191 HE2 PHE 32 1HE PHE 32 5.156 14.060 5.433 192 HZ PHE 32 HZ PHE 32 3.960 13.484 3.316 193 H ILE 33 H ILE 33 -1.500 13.892 7.669 194 HA ILE 33 HA ILE 33 -2.760 11.353 6.851 195 HB ILE 33 HB ILE 33 -4.190 13.444 8.522 196 HG12 ILE 33 1HG1 ILE 33 -2.916 10.838 9.460 197 HG13 ILE 33 2HG1 ILE 33 -2.541 12.483 9.996 198 HG21 ILE 33 1HG2 ILE 33 -5.993 11.831 8.619 199 HG22 ILE 33 2HG2 ILE 33 -5.543 11.988 6.932 200 HG23 ILE 33 3HG2 ILE 33 -4.990 10.578 7.872 201 HD11 ILE 33 3HD1 ILE 33 -3.860 11.714 11.712 202 HD12 ILE 33 1HD1 ILE 33 -5.054 12.573 10.730 203 HD13 ILE 33 2HD1 ILE 33 -4.924 10.795 10.619 204 H LEU 34 H LEU 34 -3.580 11.616 4.841 205 HA LEU 34 HA LEU 34 -3.853 14.352 3.723 206 HB2 LEU 34 1HB LEU 34 -3.455 11.664 2.386 207 HB3 LEU 34 2HB LEU 34 -3.507 13.220 1.554 208 HG LEU 34 HG LEU 34 -1.373 12.525 3.623 209 HD11 LEU 34 1HD1 LEU 34 -1.320 10.930 1.717 210 HD12 LEU 34 2HD1 LEU 34 0.108 11.967 1.794 211 HD13 LEU 34 3HD1 LEU 34 -1.139 12.307 0.595 212 HD21 LEU 34 3HD2 LEU 34 -1.500 14.602 1.405 213 HD22 LEU 34 1HD2 LEU 34 -0.149 14.375 2.532 214 HD23 LEU 34 2HD2 LEU 34 -1.708 14.945 3.141 215 H ASP 35 H ASP 35 -5.576 14.552 1.968 216 HA ASP 35 HA ASP 35 -8.100 13.402 2.933 217 HB2 ASP 35 1HB ASP 35 -7.611 15.858 2.141 218 HB3 ASP 35 2HB ASP 35 -8.015 15.212 0.547 219 H ILE 36 H ILE 36 -7.829 11.231 2.469 220 HA ILE 36 HA ILE 36 -7.596 10.442 -0.389 221 HB ILE 36 HB ILE 36 -6.731 9.089 2.180 222 HG12 ILE 36 1HG1 ILE 36 -5.291 9.636 -0.478 223 HG13 ILE 36 2HG1 ILE 36 -5.353 10.856 0.779 224 HG21 ILE 36 1HG2 ILE 36 -7.790 7.315 0.929 225 HG22 ILE 36 2HG2 ILE 36 -7.049 7.919 -0.568 226 HG23 ILE 36 3HG2 ILE 36 -6.057 7.160 0.684 227 HD11 ILE 36 3HD1 ILE 36 -3.259 9.631 0.872 228 HD12 ILE 36 1HD1 ILE 36 -4.212 9.418 2.342 229 HD13 ILE 36 2HD1 ILE 36 -4.132 8.105 1.125 230 H THR 37 H THR 37 -9.208 9.688 -1.371 231 HA THR 37 HA THR 37 -11.706 8.919 0.019 232 HB THR 37 HB THR 37 -11.120 9.236 -2.976 233 HG1 THR 37 1HG THR 37 -11.012 11.177 -1.734 234 HG21 THR 37 3HG2 THR 37 -13.555 9.292 -3.176 235 HG22 THR 37 1HG2 THR 37 -13.703 8.947 -1.428 236 HG23 THR 37 2HG2 THR 37 -13.015 7.742 -2.520 237 H SER 38 H SER 38 -12.294 6.764 0.177 238 HA SER 38 HA SER 38 -11.354 4.860 -1.817 239 HB2 SER 38 1HB SER 38 -9.471 4.878 -0.207 240 HB3 SER 38 2HB SER 38 -10.573 4.317 1.055 241 HG SER 38 HG SER 38 -10.432 2.373 0.238 242 H TYR 39 H TYR 39 -13.522 4.603 -2.320 243 HA TYR 39 HA TYR 39 -15.089 2.868 -0.733 244 HB2 TYR 39 1HB TYR 39 -16.995 4.305 -0.137 245 HB3 TYR 39 2HB TYR 39 -15.564 4.946 0.613 246 HD1 TYR 39 1HD TYR 39 -17.959 5.446 -2.229 247 HD2 TYR 39 2HD TYR 39 -15.000 7.214 0.349 248 HE1 TYR 39 1HE TYR 39 -18.617 7.672 -3.044 249 HE2 TYR 39 2HE TYR 39 -15.680 9.434 -0.361 250 HH TYR 39 HH TYR 39 -16.866 10.591 -2.175 251 H LYS 40 H LYS 40 -17.306 2.494 -1.676 252 HA LYS 40 HA LYS 40 -17.340 3.091 -4.600 253 HB2 LYS 40 1HB LYS 40 -18.534 0.995 -4.961 254 HB3 LYS 40 2HB LYS 40 -17.013 0.688 -4.175 255 HG2 LYS 40 1HG LYS 40 -17.938 0.058 -2.134 256 HG3 LYS 40 2HG LYS 40 -19.341 1.099 -2.289 257 HD2 LYS 40 1HD LYS 40 -20.175 -1.081 -2.484 258 HD3 LYS 40 2HD LYS 40 -20.208 -0.344 -4.121 259 HE2 LYS 40 1HE LYS 40 -18.284 -1.556 -4.785 260 HE3 LYS 40 2HE LYS 40 -17.791 -1.925 -3.136 261 HZ1 LYS 40 3HZ LYS 40 -20.113 -3.171 -4.482 262 HZ2 LYS 40 1HZ LYS 40 -19.514 -3.533 -2.983 263 HZ3 LYS 40 2HZ LYS 40 -18.629 -3.826 -4.315 264 H LYS 41 H LYS 41 -19.483 3.403 -5.467 265 HA LYS 41 HA LYS 41 -21.614 4.228 -3.540 266 HB2 LYS 41 1HB LYS 41 -20.251 6.089 -4.532 267 HB3 LYS 41 2HB LYS 41 -20.866 5.651 -6.135 268 HG2 LYS 41 1HG LYS 41 -23.181 6.118 -5.344 269 HG3 LYS 41 2HG LYS 41 -22.550 6.413 -3.722 270 HD2 LYS 41 1HD LYS 41 -21.021 8.224 -5.000 271 HD3 LYS 41 2HD LYS 41 -22.328 8.115 -6.188 272 HE2 LYS 41 1HE LYS 41 -23.939 8.383 -4.129 273 HE3 LYS 41 2HE LYS 41 -22.496 8.887 -3.231 274 HZ1 LYS 41 3HZ LYS 41 -23.749 10.200 -5.541 275 HZ2 LYS 41 1HZ LYS 41 -22.245 10.609 -5.033 276 HZ3 LYS 41 2HZ LYS 41 -23.507 10.833 -4.021 277 H THR 42 H THR 42 -23.482 3.246 -3.992 278 HA THR 42 HA THR 42 -24.625 2.962 -6.470 279 HB THR 42 HB THR 42 -22.985 1.215 -6.974 280 HG1 THR 42 1HG THR 42 -25.190 -0.363 -6.800 281 HG21 THR 42 3HG2 THR 42 -22.501 0.313 -4.758 282 HG22 THR 42 1HG2 THR 42 -22.980 -0.956 -5.899 283 HG23 THR 42 2HG2 THR 42 -24.139 -0.378 -4.674 284 H GLY 43 H GLY 43 -26.536 1.315 -6.252 285 HA2 GLY 43 1HA GLY 43 -28.550 0.930 -5.291 286 HA3 GLY 43 2HA GLY 43 -27.653 0.544 -3.807 287 H ASN 44 H ASN 44 -27.655 1.926 -2.199 288 HA ASN 44 HA ASN 44 -27.965 4.733 -2.418 289 HB2 ASN 44 1HB ASN 44 -30.407 4.143 -2.406 290 HB3 ASN 44 2HB ASN 44 -30.082 3.289 -0.868 291 HD21 ASN 44 1HD2 ASN 44 -31.394 4.746 0.520 292 HD22 ASN 44 2HD2 ASN 44 -31.001 6.450 0.649 293 H SER 45 H SER 45 -25.903 3.793 -1.760 294 HA SER 45 HA SER 45 -25.421 4.469 1.007 295 HB2 SER 45 1HB SER 45 -24.865 1.629 0.029 296 HB3 SER 45 2HB SER 45 -24.062 2.329 1.443 297 HG SER 45 HG SER 45 -26.846 2.477 1.318 298 H THR 46 H THR 46 -23.043 4.435 1.486 299 HA THR 46 HA THR 46 -21.289 4.014 -0.829 300 HB THR 46 HB THR 46 -19.785 5.885 0.020 301 HG1 THR 46 1HG THR 46 -21.312 6.297 1.897 302 HG21 THR 46 3HG2 THR 46 -20.835 7.625 -1.337 303 HG22 THR 46 1HG2 THR 46 -22.351 6.704 -1.365 304 HG23 THR 46 2HG2 THR 46 -20.875 6.045 -2.126 305 H LYS 47 H LYS 47 -20.636 1.973 0.088 306 HA LYS 47 HA LYS 47 -19.540 2.070 2.854 307 HB2 LYS 47 1HB LYS 47 -19.875 -0.178 0.852 308 HB3 LYS 47 2HB LYS 47 -18.696 -0.267 2.160 309 HG2 LYS 47 1HG LYS 47 -20.623 0.366 3.770 310 HG3 LYS 47 2HG LYS 47 -21.698 -0.026 2.428 311 HD2 LYS 47 1HD LYS 47 -21.499 -2.041 3.658 312 HD3 LYS 47 2HD LYS 47 -20.423 -2.269 2.283 313 HE2 LYS 47 1HE LYS 47 -18.765 -1.084 4.205 314 HE3 LYS 47 2HE LYS 47 -19.819 -2.093 5.187 315 HZ1 LYS 47 3HZ LYS 47 -17.887 -3.291 4.508 316 HZ2 LYS 47 1HZ LYS 47 -18.139 -3.001 2.914 317 HZ3 LYS 47 2HZ LYS 47 -19.153 -3.993 3.777 318 H ALA 48 H ALA 48 -17.473 2.104 3.371 319 HA ALA 48 HA ALA 48 -15.443 3.084 1.622 320 HB1 ALA 48 1HB ALA 48 -15.505 3.525 4.041 321 HB2 ALA 48 2HB ALA 48 -15.346 1.779 4.376 322 HB3 ALA 48 3HB ALA 48 -14.022 2.664 3.617 323 H LEU 49 H LEU 49 -13.357 1.975 1.368 324 HA LEU 49 HA LEU 49 -13.351 -0.900 1.697 325 HB2 LEU 49 1HB LEU 49 -12.779 0.456 -0.956 326 HB3 LEU 49 2HB LEU 49 -11.925 -0.997 -0.526 327 HG LEU 49 HG LEU 49 -14.913 -0.769 -0.665 328 HD11 LEU 49 1HD1 LEU 49 -14.907 -2.274 -2.590 329 HD12 LEU 49 2HD1 LEU 49 -13.146 -2.030 -2.705 330 HD13 LEU 49 3HD1 LEU 49 -14.296 -0.674 -2.911 331 HD21 LEU 49 3HD2 LEU 49 -13.668 -2.650 0.791 332 HD22 LEU 49 1HD2 LEU 49 -13.502 -3.429 -0.766 333 HD23 LEU 49 2HD2 LEU 49 -15.108 -3.031 -0.159 334 H SER 50 H SER 50 -11.513 -1.589 2.595 335 HA SER 50 HA SER 50 -9.408 0.230 3.348 336 HB2 SER 50 1HB SER 50 -8.523 -1.839 4.403 337 HB3 SER 50 2HB SER 50 -10.229 -1.595 4.787 338 HG SER 50 HG SER 50 -10.418 -3.582 4.083 339 H TRP 51 H TRP 51 -7.083 -0.616 2.962 340 HA TRP 51 HA TRP 51 -6.614 -1.740 0.272 341 HB2 TRP 51 1HB TRP 51 -5.174 0.192 -0.307 342 HB3 TRP 51 2HB TRP 51 -6.834 0.677 -0.051 343 HD1 TRP 51 HD TRP 51 -3.351 0.910 1.482 344 HE1 TRP 51 1HE TRP 51 -3.241 2.889 3.097 345 HE3 TRP 51 3HE TRP 51 -8.314 2.180 1.531 346 HZ2 TRP 51 2HZ TRP 51 -4.990 4.986 3.943 347 HZ3 TRP 51 3HZ TRP 51 -9.042 4.283 2.669 348 HH2 TRP 51 HH TRP 51 -7.388 5.741 3.774 349 H ASN 52 H ASN 52 -4.104 -1.703 -0.053 350 HA ASN 52 HA ASN 52 -2.591 -2.376 2.425 351 HB2 ASN 52 1HB ASN 52 -2.183 -3.675 -0.303 352 HB3 ASN 52 2HB ASN 52 -1.342 -4.069 1.192 353 HD21 ASN 52 1HD2 ASN 52 -2.923 -4.859 3.097 354 HD22 ASN 52 2HD2 ASN 52 -4.284 -5.795 2.507 355 H ALA 53 H ALA 53 -0.250 -1.961 2.064 356 HA ALA 53 HA ALA 53 0.554 -0.628 -0.411 357 HB1 ALA 53 1HB ALA 53 1.144 0.810 2.205 358 HB2 ALA 53 2HB ALA 53 1.570 1.324 0.575 359 HB3 ALA 53 3HB ALA 53 -0.138 1.312 1.073 360 H SER 54 H SER 54 2.886 -0.705 -0.660 361 HA SER 54 HA SER 54 4.781 -1.116 1.297 362 HB2 SER 54 1HB SER 54 5.414 -3.624 0.720 363 HB3 SER 54 2HB SER 54 4.323 -3.230 2.032 364 HG SER 54 HG SER 54 2.608 -3.735 0.814 365 H GLY 55 H GLY 55 6.942 -1.495 0.565 366 HA2 GLY 55 1HA GLY 55 7.796 -2.248 -1.940 367 HA3 GLY 55 2HA GLY 55 7.630 -0.494 -2.015 368 H ASP 56 H ASP 56 9.133 0.800 -0.856 369 HA ASP 56 HA ASP 56 11.564 -0.388 -0.038 370 HB2 ASP 56 1HB ASP 56 10.519 2.393 0.559 371 HB3 ASP 56 2HB ASP 56 12.158 1.832 0.831 372 H SER 57 H SER 57 12.612 -0.023 2.131 373 HA SER 57 HA SER 57 10.960 -1.280 4.163 374 HB2 SER 57 1HB SER 57 13.936 -0.662 4.084 375 HB3 SER 57 2HB SER 57 13.130 -1.785 5.200 376 HG SER 57 HG SER 57 14.100 -2.770 3.353 377 H TRP 58 H TRP 58 11.338 1.992 3.701 378 HA TRP 58 HA TRP 58 11.402 2.637 6.615 379 HB2 TRP 58 1HB TRP 58 12.477 4.777 5.817 380 HB3 TRP 58 2HB TRP 58 13.440 3.329 5.666 381 HD1 TRP 58 HD TRP 58 13.860 2.344 3.210 382 HE1 TRP 58 1HE TRP 58 13.989 3.483 0.911 383 HE3 TRP 58 3HE TRP 58 11.266 6.615 4.281 384 HZ2 TRP 58 2HZ TRP 58 13.153 5.955 -0.276 385 HZ3 TRP 58 3HZ TRP 58 10.945 8.356 2.555 386 HH2 TRP 58 HH TRP 58 11.911 8.065 0.274 387 H ILE 59 H ILE 59 9.011 2.071 4.861 388 HA ILE 59 HA ILE 59 7.666 4.732 4.885 389 HB ILE 59 HB ILE 59 7.681 2.771 2.545 390 HG12 ILE 59 1HG1 ILE 59 9.041 5.487 2.849 391 HG13 ILE 59 2HG1 ILE 59 9.844 3.921 2.692 392 HG21 ILE 59 1HG2 ILE 59 5.533 4.024 2.868 393 HG22 ILE 59 2HG2 ILE 59 6.437 5.548 2.784 394 HG23 ILE 59 3HG2 ILE 59 6.337 4.469 1.381 395 HD11 ILE 59 3HD1 ILE 59 9.979 4.992 0.582 396 HD12 ILE 59 1HD1 ILE 59 8.796 3.669 0.411 397 HD13 ILE 59 2HD1 ILE 59 8.241 5.336 0.574 398 H HIS 60 H HIS 60 5.887 4.513 6.121 399 HA HIS 60 HA HIS 60 4.758 1.776 6.523 400 HB2 HIS 60 1HB HIS 60 5.249 3.984 8.550 401 HB3 HIS 60 2HB HIS 60 4.565 2.386 8.882 402 HD1 HIS 60 1HD HIS 60 6.375 0.280 8.128 403 HD2 HIS 60 2HD HIS 60 7.886 4.188 8.688 404 HE1 HIS 60 1HE HIS 60 8.880 0.047 8.459 405 H VAL 61 H VAL 61 2.484 1.687 7.060 406 HA VAL 61 HA VAL 61 0.939 4.105 6.262 407 HB VAL 61 HB VAL 61 1.386 2.616 4.321 408 HG11 VAL 61 1HG1 VAL 61 -0.208 0.509 5.859 409 HG12 VAL 61 2HG1 VAL 61 0.266 0.396 4.170 410 HG13 VAL 61 3HG1 VAL 61 1.513 0.423 5.422 411 HG21 VAL 61 3HG2 VAL 61 -0.838 2.528 3.442 412 HG22 VAL 61 1HG2 VAL 61 -1.557 2.554 5.063 413 HG23 VAL 61 2HG2 VAL 61 -0.699 3.982 4.440 414 H ASN 62 H ASN 62 -1.294 4.075 7.056 415 HA ASN 62 HA ASN 62 -2.169 1.795 8.576 416 HB2 ASN 62 1HB ASN 62 -1.145 4.096 10.000 417 HB3 ASN 62 2HB ASN 62 -2.892 4.100 10.174 418 HD21 ASN 62 1HD2 ASN 62 -0.216 1.644 10.113 419 HD22 ASN 62 2HD2 ASN 62 -0.802 0.730 11.484 420 H GLY 63 H GLY 63 -4.626 2.569 9.371 421 HA2 GLY 63 1HA GLY 63 -5.927 2.147 7.000 422 HA3 GLY 63 2HA GLY 63 -6.704 2.624 8.507 423 H SER 64 H SER 64 -5.229 5.360 8.270 424 HA SER 64 HA SER 64 -6.085 6.394 5.666 425 HB2 SER 64 1HB SER 64 -7.190 7.410 8.294 426 HB3 SER 64 2HB SER 64 -7.049 8.476 6.907 427 HG SER 64 HG SER 64 -8.467 7.217 5.783 428 H SER 65 H SER 65 -3.567 5.856 7.532 429 HA SER 65 HA SER 65 -2.570 8.634 7.889 430 HB2 SER 65 1HB SER 65 -1.484 6.231 9.337 431 HB3 SER 65 2HB SER 65 -1.506 7.928 9.828 432 HG SER 65 HG SER 65 -3.014 6.631 10.990 433 H VAL 66 H VAL 66 -0.238 8.994 7.401 434 HA VAL 66 HA VAL 66 1.112 6.882 5.839 435 HB VAL 66 HB VAL 66 0.037 8.369 4.238 436 HG11 VAL 66 1HG1 VAL 66 0.593 10.737 3.983 437 HG12 VAL 66 2HG1 VAL 66 -0.202 10.443 5.523 438 HG13 VAL 66 3HG1 VAL 66 1.552 10.677 5.473 439 HG21 VAL 66 3HG2 VAL 66 2.016 9.200 2.964 440 HG22 VAL 66 1HG2 VAL 66 3.032 8.785 4.345 441 HG23 VAL 66 2HG2 VAL 66 2.124 7.512 3.489 442 H SER 67 H SER 67 3.307 6.740 6.361 443 HA SER 67 HA SER 67 4.540 8.991 7.755 444 HB2 SER 67 1HB SER 67 4.953 6.189 8.801 445 HB3 SER 67 2HB SER 67 5.375 7.727 9.548 446 HG SER 67 HG SER 67 3.637 6.931 10.603 447 H TYR 68 H TYR 68 6.853 9.044 7.415 448 HA TYR 68 HA TYR 68 8.210 6.666 6.621 449 HB2 TYR 68 1HB TYR 68 9.273 7.807 4.578 450 HB3 TYR 68 2HB TYR 68 7.685 7.106 4.389 451 HD1 TYR 68 1HD TYR 68 9.482 10.378 4.830 452 HD2 TYR 68 2HD TYR 68 5.793 8.398 3.706 453 HE1 TYR 68 1HE TYR 68 8.645 12.479 3.873 454 HE2 TYR 68 2HE TYR 68 4.949 10.469 2.779 455 HH TYR 68 HH TYR 68 6.793 13.532 2.869 456 H ASP 69 H ASP 69 10.564 7.149 6.482 457 HA ASP 69 HA ASP 69 11.328 9.447 8.244 458 HB2 ASP 69 1HB ASP 69 12.161 6.544 8.151 459 HB3 ASP 69 2HB ASP 69 13.274 7.756 8.774 460 H GLU 70 H GLU 70 13.686 10.020 8.026 461 HA GLU 70 HA GLU 70 14.404 10.356 5.206 462 HB2 GLU 70 1HB GLU 70 15.308 11.549 7.794 463 HB3 GLU 70 2HB GLU 70 16.537 11.338 6.545 464 HG2 GLU 70 1HG GLU 70 14.933 12.455 4.890 465 HG3 GLU 70 2HG GLU 70 13.962 12.896 6.280 466 H ASN 71 H ASN 71 16.804 10.089 4.829 467 HA ASN 71 HA ASN 71 17.275 7.184 4.887 468 HB2 ASN 71 1HB ASN 71 18.093 7.453 2.721 469 HB3 ASN 71 2HB ASN 71 16.860 8.682 2.790 470 HD21 ASN 71 1HD2 ASN 71 18.570 9.141 0.822 471 HD22 ASN 71 2HD2 ASN 71 19.920 10.142 1.250 472 HA PRO 72 HA PRO 72 20.948 7.381 7.163 473 HB2 PRO 72 1HB PRO 72 22.683 5.631 5.957 474 HB3 PRO 72 2HB PRO 72 21.227 5.141 6.857 475 HG2 PRO 72 1HG PRO 72 21.603 5.370 3.880 476 HG3 PRO 72 2HG PRO 72 20.662 4.151 4.814 477 HD2 PRO 72 1HD PRO 72 19.545 6.242 3.533 478 HD3 PRO 72 2HD PRO 72 18.839 5.489 5.001 479 H ALA 73 H ALA 73 21.502 8.283 3.739 480 HA ALA 73 HA ALA 73 24.069 9.556 4.524 481 HB1 ALA 73 1HB ALA 73 23.698 7.572 2.235 482 HB2 ALA 73 2HB ALA 73 25.182 8.480 2.585 483 HB3 ALA 73 3HB ALA 73 24.605 7.264 3.735 484 H LYS 74 H LYS 74 24.953 10.857 2.510 485 HA LYS 74 HA LYS 74 22.796 12.685 2.053 486 HB2 LYS 74 1HB LYS 74 24.450 14.163 1.022 487 HB3 LYS 74 2HB LYS 74 24.814 13.672 2.675 488 HG2 LYS 74 1HG LYS 74 26.524 12.227 2.030 489 HG3 LYS 74 2HG LYS 74 25.933 12.126 0.350 490 HD2 LYS 74 1HD LYS 74 26.601 14.540 0.036 491 HD3 LYS 74 2HD LYS 74 27.190 14.551 1.706 492 HE2 LYS 74 1HE LYS 74 29.172 14.103 0.663 493 HE3 LYS 74 2HE LYS 74 28.603 12.445 0.897 494 HZ1 LYS 74 3HZ LYS 74 28.212 13.995 -1.618 495 HZ2 LYS 74 1HZ LYS 74 27.874 12.399 -1.385 496 HZ3 LYS 74 2HZ LYS 74 29.410 12.897 -1.373 497 H GLU 75 H GLU 75 23.325 9.945 0.489 498 HA GLU 75 HA GLU 75 23.230 10.833 -2.216 499 HB2 GLU 75 1HB GLU 75 22.726 8.139 -0.898 500 HB3 GLU 75 2HB GLU 75 22.404 8.378 -2.605 501 HG2 GLU 75 1HG GLU 75 24.952 9.474 -2.395 502 HG3 GLU 75 2HG GLU 75 25.000 8.213 -1.171 503 H ARG 76 H ARG 76 21.273 10.296 -3.628 504 HA ARG 76 HA ARG 76 18.833 11.423 -2.375 505 HB2 ARG 76 1HB ARG 76 19.908 11.322 -5.073 506 HB3 ARG 76 2HB ARG 76 18.430 10.390 -5.072 507 HG2 ARG 76 1HG ARG 76 17.514 12.589 -3.755 508 HG3 ARG 76 2HG ARG 76 18.835 13.327 -4.651 509 HD2 ARG 76 1HD ARG 76 16.536 11.681 -5.814 510 HD3 ARG 76 2HD ARG 76 16.672 13.438 -5.882 511 HE ARG 76 HE ARG 76 19.017 12.532 -7.023 512 HH11 ARG 76 1HH1 ARG 76 15.532 12.163 -7.844 513 HH12 ARG 76 2HH1 ARG 76 15.878 11.884 -9.503 514 HH21 ARG 76 1HH2 ARG 76 19.355 12.147 -9.299 515 HH22 ARG 76 2HH2 ARG 76 17.991 11.770 -10.299 516 H ARG 77 H ARG 77 17.140 10.079 -1.567 517 HA ARG 77 HA ARG 77 16.965 7.307 -2.680 518 HB2 ARG 77 1HB ARG 77 16.794 8.249 0.193 519 HB3 ARG 77 2HB ARG 77 15.639 7.055 -0.365 520 HG2 ARG 77 1HG ARG 77 17.469 5.967 0.728 521 HG3 ARG 77 2HG ARG 77 17.359 5.468 -0.948 522 HD2 ARG 77 1HD ARG 77 19.226 7.748 -0.397 523 HD3 ARG 77 2HD ARG 77 19.667 6.226 0.346 524 HE ARG 77 HE ARG 77 19.571 6.907 -2.506 525 HH11 ARG 77 1HH1 ARG 77 19.978 4.254 -0.136 526 HH12 ARG 77 2HH1 ARG 77 20.731 3.183 -1.252 527 HH21 ARG 77 1HH2 ARG 77 20.728 5.496 -3.973 528 HH22 ARG 77 2HH2 ARG 77 21.183 3.927 -3.447 529 H THR 78 H THR 78 15.421 7.745 -4.231 530 HA THR 78 HA THR 78 12.954 9.108 -3.305 531 HB THR 78 HB THR 78 13.793 8.164 -6.068 532 HG1 THR 78 1HG THR 78 14.325 10.396 -4.713 533 HG21 THR 78 3HG2 THR 78 11.386 7.991 -5.870 534 HG22 THR 78 1HG2 THR 78 11.723 9.501 -6.741 535 HG23 THR 78 2HG2 THR 78 11.282 9.538 -5.022 536 H GLY 79 H GLY 79 11.848 7.666 -2.084 537 HA2 GLY 79 1HA GLY 79 11.965 4.757 -2.550 538 HA3 GLY 79 2HA GLY 79 10.951 5.624 -1.376 539 H LEU 80 H LEU 80 9.954 3.558 -3.070 540 HA LEU 80 HA LEU 80 7.760 5.012 -4.341 541 HB2 LEU 80 1HB LEU 80 9.637 5.004 -6.068 542 HB3 LEU 80 2HB LEU 80 9.518 3.226 -6.033 543 HG LEU 80 HG LEU 80 7.287 3.282 -6.954 544 HD11 LEU 80 1HD1 LEU 80 6.217 5.169 -5.933 545 HD12 LEU 80 2HD1 LEU 80 6.246 5.493 -7.661 546 HD13 LEU 80 3HD1 LEU 80 7.418 6.299 -6.591 547 HD21 LEU 80 3HD2 LEU 80 9.111 5.282 -8.386 548 HD22 LEU 80 1HD2 LEU 80 7.778 4.376 -9.124 549 HD23 LEU 80 2HD2 LEU 80 9.196 3.509 -8.504 550 H VAL 81 H VAL 81 6.444 3.784 -2.912 551 HA VAL 81 HA VAL 81 6.562 0.900 -3.180 552 HB VAL 81 HB VAL 81 4.881 0.813 -1.417 553 HG11 VAL 81 1HG1 VAL 81 6.130 1.626 0.392 554 HG12 VAL 81 2HG1 VAL 81 7.343 1.406 -0.884 555 HG13 VAL 81 3HG1 VAL 81 6.732 3.012 -0.526 556 HG21 VAL 81 3HG2 VAL 81 3.373 2.569 -1.959 557 HG22 VAL 81 1HG2 VAL 81 3.952 2.727 -0.297 558 HG23 VAL 81 2HG2 VAL 81 4.613 3.785 -1.558 559 H THR 82 H THR 82 4.166 -0.221 -3.216 560 HA THR 82 HA THR 82 2.479 1.119 -5.271 561 HB THR 82 HB THR 82 2.275 -1.845 -4.759 562 HG1 THR 82 1HG THR 82 3.682 -1.481 -6.971 563 HG21 THR 82 3HG2 THR 82 0.559 -0.830 -6.168 564 HG22 THR 82 1HG2 THR 82 1.576 -1.873 -7.162 565 HG23 THR 82 2HG2 THR 82 1.790 -0.107 -7.217 566 H LEU 83 H LEU 83 0.099 0.653 -4.840 567 HA LEU 83 HA LEU 83 -0.575 -0.456 -2.204 568 HB2 LEU 83 1HB LEU 83 -2.085 1.921 -3.375 569 HB3 LEU 83 2HB LEU 83 -2.333 1.130 -1.853 570 HG LEU 83 HG LEU 83 0.149 1.885 -1.301 571 HD11 LEU 83 1HD1 LEU 83 -0.579 3.421 -3.776 572 HD12 LEU 83 2HD1 LEU 83 1.002 2.872 -3.222 573 HD13 LEU 83 3HD1 LEU 83 0.257 4.297 -2.489 574 HD21 LEU 83 3HD2 LEU 83 -1.942 2.692 -0.203 575 HD22 LEU 83 1HD2 LEU 83 -2.023 3.987 -1.435 576 HD23 LEU 83 2HD2 LEU 83 -0.644 3.886 -0.305 577 H LYS 84 H LYS 84 -2.920 -1.187 -2.243 578 HA LYS 84 HA LYS 84 -4.297 -1.031 -4.770 579 HB2 LYS 84 1HB LYS 84 -2.847 -3.256 -4.770 580 HB3 LYS 84 2HB LYS 84 -4.043 -3.806 -3.588 581 HG2 LYS 84 1HG LYS 84 -5.740 -2.901 -5.469 582 HG3 LYS 84 2HG LYS 84 -4.350 -3.155 -6.529 583 HD2 LYS 84 1HD LYS 84 -4.251 -5.524 -5.706 584 HD3 LYS 84 2HD LYS 84 -5.682 -5.194 -4.690 585 HE2 LYS 84 1HE LYS 84 -6.883 -4.522 -6.852 586 HE3 LYS 84 2HE LYS 84 -5.461 -5.141 -7.716 587 HZ1 LYS 84 3HZ LYS 84 -7.405 -6.655 -6.070 588 HZ2 LYS 84 1HZ LYS 84 -5.904 -7.251 -6.304 589 HZ3 LYS 84 2HZ LYS 84 -6.868 -7.004 -7.586 590 H GLN 85 H GLN 85 -6.622 -1.560 -4.386 591 HA GLN 85 HA GLN 85 -7.472 -1.158 -1.598 592 HB2 GLN 85 1HB GLN 85 -8.441 -0.055 -3.734 593 HB3 GLN 85 2HB GLN 85 -9.165 -1.606 -4.054 594 HG2 GLN 85 1HG GLN 85 -10.609 -1.419 -2.069 595 HG3 GLN 85 2HG GLN 85 -9.689 0.009 -1.529 596 HE21 GLN 85 1HE2 GLN 85 -9.875 1.948 -2.857 597 HE22 GLN 85 2HE2 GLN 85 -11.184 2.138 -4.031 598 H ASP 86 H ASP 86 -9.204 -2.634 -0.840 599 HA ASP 86 HA ASP 86 -8.801 -5.385 -0.978 600 HB2 ASP 86 1HB ASP 86 -10.109 -4.101 0.715 601 HB3 ASP 86 2HB ASP 86 -11.355 -3.802 -0.483 602 H GLU 87 H GLU 87 -10.823 -3.399 -3.090 603 HA GLU 87 HA GLU 87 -11.279 -5.800 -4.866 604 HB2 GLU 87 1HB GLU 87 -13.102 -3.442 -4.368 605 HB3 GLU 87 2HB GLU 87 -13.410 -4.765 -5.493 606 HG2 GLU 87 1HG GLU 87 -13.574 -6.338 -3.631 607 HG3 GLU 87 2HG GLU 87 -13.188 -5.062 -2.461 608 H SER 88 H SER 88 -10.840 -2.300 -4.727 609 HA SER 88 HA SER 88 -10.665 -2.130 -7.669 610 HB2 SER 88 1HB SER 88 -11.849 -0.359 -6.409 611 HB3 SER 88 2HB SER 88 -10.296 0.167 -5.737 612 HG SER 88 HG SER 88 -11.421 0.775 -8.070 613 H GLY 89 H GLY 89 -8.644 -0.203 -7.861 614 HA2 GLY 89 1HA GLY 89 -6.114 -1.529 -7.153 615 HA3 GLY 89 2HA GLY 89 -6.751 -2.052 -8.700 616 H LYS 90 H LYS 90 -7.370 1.380 -8.078 617 HA LYS 90 HA LYS 90 -5.447 2.269 -10.044 618 HB2 LYS 90 1HB LYS 90 -7.211 3.603 -7.946 619 HB3 LYS 90 2HB LYS 90 -5.983 4.470 -8.847 620 HG2 LYS 90 1HG LYS 90 -8.080 4.821 -9.834 621 HG3 LYS 90 2HG LYS 90 -7.017 3.935 -10.949 622 HD2 LYS 90 1HD LYS 90 -8.309 1.966 -10.775 623 HD3 LYS 90 2HD LYS 90 -9.161 2.518 -9.315 624 HE2 LYS 90 1HE LYS 90 -9.312 4.076 -11.923 625 HE3 LYS 90 2HE LYS 90 -10.368 2.683 -11.643 626 HZ1 LYS 90 3HZ LYS 90 -11.327 4.876 -10.998 627 HZ2 LYS 90 1HZ LYS 90 -10.269 4.969 -9.756 628 HZ3 LYS 90 2HZ LYS 90 -11.370 3.720 -9.848 629 H THR 91 H THR 91 -3.392 1.564 -9.401 630 HA THR 91 HA THR 91 -2.608 1.749 -6.612 631 HB THR 91 HB THR 91 -0.472 0.916 -7.326 632 HG1 THR 91 1HG THR 91 -0.021 0.648 -9.515 633 HG21 THR 91 3HG2 THR 91 -2.600 -0.652 -7.477 634 HG22 THR 91 1HG2 THR 91 -1.090 -1.187 -8.242 635 HG23 THR 91 2HG2 THR 91 -2.390 -0.505 -9.221 636 H LEU 92 H LEU 92 -1.050 3.294 -5.697 637 HA LEU 92 HA LEU 92 -0.927 5.890 -7.188 638 HB2 LEU 92 1HB LEU 92 -0.743 5.491 -4.194 639 HB3 LEU 92 2HB LEU 92 -0.677 7.015 -5.084 640 HG LEU 92 HG LEU 92 -3.117 5.225 -4.796 641 HD11 LEU 92 1HD1 LEU 92 -2.401 6.313 -2.708 642 HD12 LEU 92 2HD1 LEU 92 -3.864 7.064 -3.320 643 HD13 LEU 92 3HD1 LEU 92 -2.300 7.879 -3.525 644 HD21 LEU 92 3HD2 LEU 92 -2.944 8.054 -5.956 645 HD22 LEU 92 1HD2 LEU 92 -4.423 7.112 -5.722 646 HD23 LEU 92 2HD2 LEU 92 -3.220 6.586 -6.914 647 H SER 93 H SER 93 1.177 7.137 -6.083 648 HA SER 93 HA SER 93 3.516 5.347 -6.342 649 HB2 SER 93 1HB SER 93 3.979 7.631 -7.974 650 HB3 SER 93 2HB SER 93 3.865 5.943 -8.455 651 HG SER 93 HG SER 93 1.664 6.257 -8.880 652 H LEU 94 H LEU 94 3.965 5.845 -4.152 653 HA LEU 94 HA LEU 94 4.014 8.569 -3.209 654 HB2 LEU 94 1HB LEU 94 3.244 6.826 -1.781 655 HB3 LEU 94 2HB LEU 94 4.754 5.957 -1.915 656 HG LEU 94 HG LEU 94 5.872 7.522 -0.549 657 HD11 LEU 94 1HD1 LEU 94 3.366 9.260 -0.570 658 HD12 LEU 94 2HD1 LEU 94 4.912 9.663 -1.350 659 HD13 LEU 94 3HD1 LEU 94 4.820 9.523 0.430 660 HD21 LEU 94 3HD2 LEU 94 4.592 7.360 1.541 661 HD22 LEU 94 1HD2 LEU 94 4.441 5.870 0.586 662 HD23 LEU 94 2HD2 LEU 94 3.110 7.045 0.618 663 H LYS 95 H LYS 95 5.477 9.397 -4.776 664 HA LYS 95 HA LYS 95 8.333 8.578 -4.654 665 HB2 LYS 95 1HB LYS 95 6.769 10.549 -6.311 666 HB3 LYS 95 2HB LYS 95 8.529 10.742 -6.120 667 HG2 LYS 95 1HG LYS 95 8.753 8.336 -6.931 668 HG3 LYS 95 2HG LYS 95 7.031 8.443 -7.387 669 HD2 LYS 95 1HD LYS 95 7.556 10.464 -8.741 670 HD3 LYS 95 2HD LYS 95 9.264 10.305 -8.299 671 HE2 LYS 95 1HE LYS 95 9.350 8.097 -9.383 672 HE3 LYS 95 2HE LYS 95 7.641 8.225 -9.811 673 HZ1 LYS 95 3HZ LYS 95 8.073 9.997 -11.214 674 HZ2 LYS 95 1HZ LYS 95 9.200 8.860 -11.606 675 HZ3 LYS 95 2HZ LYS 95 9.619 10.218 -10.717 676 H ILE 96 H ILE 96 8.856 8.946 -2.538 677 HA ILE 96 HA ILE 96 8.591 11.650 -1.359 678 HB ILE 96 HB ILE 96 9.792 9.019 -0.403 679 HG12 ILE 96 1HG1 ILE 96 7.359 10.306 0.840 680 HG13 ILE 96 2HG1 ILE 96 7.183 9.345 -0.625 681 HG21 ILE 96 1HG2 ILE 96 10.956 10.513 0.824 682 HG22 ILE 96 2HG2 ILE 96 9.647 11.727 0.940 683 HG23 ILE 96 3HG2 ILE 96 9.627 10.251 1.910 684 HD11 ILE 96 3HD1 ILE 96 6.912 7.936 1.415 685 HD12 ILE 96 1HD1 ILE 96 8.251 7.433 0.366 686 HD13 ILE 96 2HD1 ILE 96 8.580 8.298 1.877 687 H VAL 97 H VAL 97 10.031 13.105 -2.488 688 HA VAL 97 HA VAL 97 12.700 12.012 -3.208 689 HB VAL 97 HB VAL 97 11.200 14.461 -4.174 690 HG11 VAL 97 1HG1 VAL 97 12.773 14.344 -6.074 691 HG12 VAL 97 2HG1 VAL 97 13.629 14.590 -4.561 692 HG13 VAL 97 3HG1 VAL 97 13.618 12.977 -5.300 693 HG21 VAL 97 3HG2 VAL 97 11.403 11.735 -5.497 694 HG22 VAL 97 1HG2 VAL 97 9.917 12.492 -4.860 695 HG23 VAL 97 2HG2 VAL 97 10.731 13.193 -6.251 696 H GLN 98 H GLN 98 13.656 12.191 -1.057 697 HA GLN 98 HA GLN 98 13.472 14.856 0.236 698 HB2 GLN 98 1HB GLN 98 14.807 12.437 1.491 699 HB3 GLN 98 2HB GLN 98 14.008 13.798 2.279 700 HG2 GLN 98 1HG GLN 98 11.832 12.927 1.231 701 HG3 GLN 98 2HG GLN 98 12.774 11.488 0.797 702 HE21 GLN 98 1HE2 GLN 98 13.587 10.059 2.600 703 HE22 GLN 98 2HE2 GLN 98 12.618 10.096 4.061 704 HA PRO 99 HA PRO 99 17.974 15.495 -0.472 705 HB2 PRO 99 1HB PRO 99 18.676 16.744 1.857 706 HB3 PRO 99 2HB PRO 99 17.776 17.611 0.568 707 HG2 PRO 99 1HG PRO 99 16.693 16.280 3.073 708 HG3 PRO 99 2HG PRO 99 16.333 17.920 2.448 709 HD2 PRO 99 1HD PRO 99 14.683 15.825 1.979 710 HD3 PRO 99 2HD PRO 99 14.964 17.052 0.724 711 H GLY 100 H GLY 100 19.926 14.524 0.419 712 HA2 GLY 100 1HA GLY 100 19.377 12.154 2.072 713 HA3 GLY 100 2HA GLY 100 20.841 12.569 1.177 714 H LYS 101 H LYS 101 20.606 11.730 3.969 715 HA LYS 101 HA LYS 101 20.902 14.129 5.649 716 HB2 LYS 101 1HB LYS 101 19.437 12.003 6.087 717 HB3 LYS 101 2HB LYS 101 20.962 11.229 6.542 718 HG2 LYS 101 1HG LYS 101 21.288 13.148 8.200 719 HG3 LYS 101 2HG LYS 101 19.652 13.672 7.816 720 HD2 LYS 101 1HD LYS 101 20.472 10.974 8.962 721 HD3 LYS 101 2HD LYS 101 19.780 12.313 9.879 722 HE2 LYS 101 1HE LYS 101 17.701 12.169 8.517 723 HE3 LYS 101 2HE LYS 101 18.397 10.778 7.658 724 HZ1 LYS 101 3HZ LYS 101 17.789 10.909 10.543 725 HZ2 LYS 101 1HZ LYS 101 18.563 9.645 9.800 726 HZ3 LYS 101 2HZ LYS 101 17.001 9.981 9.460 727 H THR 102 H THR 102 22.728 14.294 7.201 728 HA THR 102 HA THR 102 24.946 12.564 7.188 729 HB THR 102 HB THR 102 26.406 14.819 6.518 730 HG1 THR 102 1HG THR 102 24.640 15.826 5.546 731 HG21 THR 102 3HG2 THR 102 25.749 12.591 4.576 732 HG22 THR 102 1HG2 THR 102 26.950 12.514 5.894 733 HG23 THR 102 2HG2 THR 102 27.168 13.660 4.562 734 H SER 103 H SER 103 24.712 12.614 9.426 735 HA SER 103 HA SER 103 25.417 15.147 10.774 736 HB2 SER 103 1HB SER 103 23.484 14.644 12.399 737 HB3 SER 103 2HB SER 103 23.071 15.285 10.813 738 HG SER 103 HG SER 103 21.734 13.715 10.939 739 H ILE 104 H ILE 104 25.396 14.525 13.308 740 HA ILE 104 HA ILE 104 26.978 12.072 13.721 741 HB ILE 104 HB ILE 104 26.058 14.144 15.780 742 HG12 ILE 104 1HG1 ILE 104 28.707 14.528 15.779 743 HG13 ILE 104 2HG1 ILE 104 28.574 14.040 14.095 744 HG21 ILE 104 1HG2 ILE 104 26.509 11.860 16.644 745 HG22 ILE 104 2HG2 ILE 104 28.129 11.907 15.919 746 HG23 ILE 104 3HG2 ILE 104 27.695 13.026 17.234 747 HD11 ILE 104 3HD1 ILE 104 26.972 15.932 13.712 748 HD12 ILE 104 1HD1 ILE 104 27.064 16.338 15.439 749 HD13 ILE 104 2HD1 ILE 104 28.495 16.497 14.407 750 H ASP 105 H ASP 105 25.334 10.653 12.961 751 HA ASP 105 HA ASP 105 22.648 10.798 14.052 752 HB2 ASP 105 1HB ASP 105 22.450 8.580 12.730 753 HB3 ASP 105 2HB ASP 105 22.446 10.134 11.931 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -40.755 2.554 -10.149 2 HA2 GLY 1 1HA GLY 1 -38.289 2.767 -10.368 3 HA3 GLY 1 2HA GLY 1 -38.814 1.063 -10.279 4 H HIS 2 H HIS 2 -36.784 3.050 -11.979 5 HA HIS 2 HA HIS 2 -36.402 1.640 -14.392 6 HB2 HIS 2 1HB HIS 2 -37.439 3.592 -15.828 7 HB3 HIS 2 2HB HIS 2 -38.463 2.274 -15.293 8 HD1 HIS 2 1HD HIS 2 -37.551 5.759 -13.847 9 HD2 HIS 2 2HD HIS 2 -40.623 2.898 -14.090 10 HE1 HIS 2 1HE HIS 2 -39.452 6.591 -12.296 11 H MET 3 H MET 3 -34.551 2.222 -12.732 12 HA MET 3 HA MET 3 -32.918 4.216 -13.860 13 HB2 MET 3 1HB MET 3 -34.241 5.728 -12.411 14 HB3 MET 3 2HB MET 3 -33.955 4.698 -11.010 15 HG2 MET 3 1HG MET 3 -31.646 5.907 -12.556 16 HG3 MET 3 2HG MET 3 -32.560 6.894 -11.428 17 HE1 MET 3 3HE MET 3 -33.182 5.478 -8.860 18 HE2 MET 3 1HE MET 3 -31.676 5.615 -7.928 19 HE3 MET 3 2HE MET 3 -32.243 6.990 -8.896 20 H GLY 4 H GLY 4 -30.734 3.681 -13.191 21 HA2 GLY 4 1HA GLY 4 -29.894 2.270 -10.994 22 HA3 GLY 4 2HA GLY 4 -30.236 1.051 -12.254 23 H SER 5 H SER 5 -27.547 1.443 -11.472 24 HA SER 5 HA SER 5 -26.386 2.203 -13.994 25 HB2 SER 5 1HB SER 5 -24.842 3.902 -13.001 26 HB3 SER 5 2HB SER 5 -26.520 4.432 -12.983 27 HG SER 5 HG SER 5 -26.637 4.110 -10.845 28 HA PRO 6 HA PRO 6 -23.232 -0.659 -12.384 29 HB2 PRO 6 1HB PRO 6 -20.874 0.621 -13.102 30 HB3 PRO 6 2HB PRO 6 -21.861 -0.420 -14.172 31 HG2 PRO 6 1HG PRO 6 -21.851 2.591 -14.004 32 HG3 PRO 6 2HG PRO 6 -21.865 1.551 -15.460 33 HD2 PRO 6 1HD PRO 6 -24.119 2.699 -14.505 34 HD3 PRO 6 2HD PRO 6 -24.150 1.061 -15.187 35 H VAL 7 H VAL 7 -21.593 -0.716 -10.744 36 HA VAL 7 HA VAL 7 -22.145 1.076 -8.538 37 HB VAL 7 HB VAL 7 -22.009 -1.243 -8.138 38 HG11 VAL 7 1HG1 VAL 7 -20.031 -2.623 -8.402 39 HG12 VAL 7 2HG1 VAL 7 -20.541 -2.014 -9.967 40 HG13 VAL 7 3HG1 VAL 7 -19.143 -1.283 -9.153 41 HG21 VAL 7 3HG2 VAL 7 -19.590 0.176 -6.992 42 HG22 VAL 7 1HG2 VAL 7 -21.215 0.240 -6.378 43 HG23 VAL 7 2HG2 VAL 7 -20.363 -1.302 -6.344 44 H SER 8 H SER 8 -21.262 2.976 -8.353 45 HA SER 8 HA SER 8 -18.979 3.756 -9.980 46 HB2 SER 8 1HB SER 8 -21.200 4.967 -9.517 47 HB3 SER 8 2HB SER 8 -20.538 5.405 -7.954 48 HG SER 8 HG SER 8 -19.536 6.045 -10.545 49 H TYR 9 H TYR 9 -16.969 3.120 -9.226 50 HA TYR 9 HA TYR 9 -16.420 3.120 -6.305 51 HB2 TYR 9 1HB TYR 9 -15.046 1.958 -8.709 52 HB3 TYR 9 2HB TYR 9 -14.127 2.304 -7.273 53 HD1 TYR 9 2HD TYR 9 -17.525 0.787 -7.845 54 HD2 TYR 9 1HD TYR 9 -13.776 0.548 -5.809 55 HE1 TYR 9 2HE TYR 9 -18.145 -1.461 -6.936 56 HE2 TYR 9 1HE TYR 9 -14.395 -1.605 -4.866 57 HH TYR 9 HH TYR 9 -16.238 -3.208 -4.517 58 H TYR 10 H TYR 10 -14.873 4.389 -5.324 59 HA TYR 10 HA TYR 10 -13.767 6.683 -6.862 60 HB2 TYR 10 1HB TYR 10 -15.132 6.721 -4.134 61 HB3 TYR 10 2HB TYR 10 -14.249 8.060 -4.873 62 HD1 TYR 10 1HD TYR 10 -17.239 5.900 -5.195 63 HD2 TYR 10 2HD TYR 10 -15.181 9.410 -6.610 64 HE1 TYR 10 1HE TYR 10 -19.204 6.470 -6.539 65 HE2 TYR 10 2HE TYR 10 -17.165 10.015 -7.986 66 HH TYR 10 HH TYR 10 -19.580 7.791 -8.694 67 H PHE 11 H PHE 11 -11.601 6.409 -6.779 68 HA PHE 11 HA PHE 11 -10.383 6.165 -4.161 69 HB2 PHE 11 1HB PHE 11 -10.426 3.832 -4.972 70 HB3 PHE 11 2HB PHE 11 -9.504 4.323 -6.376 71 HD1 PHE 11 1HD PHE 11 -8.340 6.281 -3.503 72 HD2 PHE 11 2HD PHE 11 -8.158 2.328 -5.281 73 HE1 PHE 11 1HE PHE 11 -6.322 5.841 -2.305 74 HE2 PHE 11 2HE PHE 11 -6.071 1.916 -3.979 75 HZ PHE 11 HZ PHE 11 -5.152 3.691 -2.512 76 H SER 12 H SER 12 -9.814 8.398 -4.430 77 HA SER 12 HA SER 12 -7.309 8.777 -5.702 78 HB2 SER 12 1HB SER 12 -8.277 10.785 -7.132 79 HB3 SER 12 2HB SER 12 -8.248 9.155 -7.776 80 HG SER 12 HG SER 12 -10.429 10.691 -7.396 81 H TYR 13 H TYR 13 -6.620 11.190 -5.418 82 HA TYR 13 HA TYR 13 -7.151 11.832 -2.631 83 HB2 TYR 13 1HB TYR 13 -5.466 13.173 -4.792 84 HB3 TYR 13 2HB TYR 13 -5.617 13.746 -3.140 85 HD1 TYR 13 2HD TYR 13 -4.806 12.457 -1.200 86 HD2 TYR 13 1HD TYR 13 -3.897 11.339 -5.259 87 HE1 TYR 13 2HE TYR 13 -2.997 11.025 -0.368 88 HE2 TYR 13 1HE TYR 13 -2.083 9.839 -4.422 89 HH TYR 13 HH TYR 13 -1.591 9.304 -0.916 90 H ALA 14 H ALA 14 -7.483 14.267 -2.105 91 HA ALA 14 HA ALA 14 -9.940 15.247 -3.404 92 HB1 ALA 14 1HB ALA 14 -9.704 15.334 -0.937 93 HB2 ALA 14 2HB ALA 14 -8.264 16.374 -1.124 94 HB3 ALA 14 3HB ALA 14 -9.855 16.958 -1.641 95 H ASP 15 H ASP 15 -6.489 15.725 -3.552 96 HA ASP 15 HA ASP 15 -6.480 18.418 -4.550 97 HB2 ASP 15 1HB ASP 15 -4.719 17.139 -3.169 98 HB3 ASP 15 2HB ASP 15 -4.196 16.445 -4.707 99 H GLY 16 H GLY 16 -8.021 16.391 -6.121 100 HA2 GLY 16 1HA GLY 16 -8.451 15.839 -8.311 101 HA3 GLY 16 2HA GLY 16 -7.556 17.299 -8.698 102 H GLY 17 H GLY 17 -6.604 14.023 -7.410 103 HA2 GLY 17 1HA GLY 17 -5.378 13.193 -9.815 104 HA3 GLY 17 2HA GLY 17 -4.155 13.917 -8.785 105 H THR 18 H THR 18 -3.354 11.668 -9.057 106 HA THR 18 HA THR 18 -4.529 9.623 -7.244 107 HB THR 18 HB THR 18 -3.920 7.990 -9.119 108 HG1 THR 18 1HG THR 18 -2.700 9.229 -10.511 109 HG21 THR 18 3HG2 THR 18 -6.239 8.614 -8.607 110 HG22 THR 18 1HG2 THR 18 -6.002 8.385 -10.345 111 HG23 THR 18 2HG2 THR 18 -6.121 10.024 -9.687 112 H SER 19 H SER 19 -1.998 11.548 -7.151 113 HA SER 19 HA SER 19 -0.148 9.378 -6.410 114 HB2 SER 19 1HB SER 19 -0.013 10.208 -8.933 115 HB3 SER 19 2HB SER 19 0.779 11.624 -8.257 116 HG SER 19 HG SER 19 2.084 9.733 -7.152 117 H HIS 20 H HIS 20 1.246 10.106 -4.737 118 HA HIS 20 HA HIS 20 1.109 12.994 -3.979 119 HB2 HIS 20 1HB HIS 20 0.112 11.658 -2.218 120 HB3 HIS 20 2HB HIS 20 1.509 10.574 -2.192 121 HD1 HIS 20 1HD HIS 20 2.038 14.400 -2.337 122 HD2 HIS 20 2HD HIS 20 1.994 11.199 0.408 123 HE1 HIS 20 1HE HIS 20 3.122 15.254 -0.226 124 H THR 21 H THR 21 3.041 14.009 -4.352 125 HA THR 21 HA THR 21 5.536 12.414 -4.244 126 HB THR 21 HB THR 21 4.907 14.520 -6.337 127 HG1 THR 21 1HG THR 21 3.772 12.796 -6.880 128 HG21 THR 21 3HG2 THR 21 7.019 13.762 -7.343 129 HG22 THR 21 1HG2 THR 21 7.267 12.631 -6.003 130 HG23 THR 21 2HG2 THR 21 7.293 14.368 -5.694 131 H GLU 22 H GLU 22 6.045 13.192 -2.159 132 HA GLU 22 HA GLU 22 5.753 16.073 -1.693 133 HB2 GLU 22 1HB GLU 22 5.373 14.207 0.089 134 HB3 GLU 22 2HB GLU 22 7.119 14.079 0.160 135 HG2 GLU 22 1HG GLU 22 6.334 15.538 1.959 136 HG3 GLU 22 2HG GLU 22 7.248 16.494 0.823 137 H TYR 23 H TYR 23 7.427 17.505 -1.500 138 HA TYR 23 HA TYR 23 10.172 16.590 -2.183 139 HB2 TYR 23 1HB TYR 23 8.736 19.101 -3.072 140 HB3 TYR 23 2HB TYR 23 10.447 18.792 -3.299 141 HD1 TYR 23 1HD TYR 23 11.245 17.052 -4.843 142 HD2 TYR 23 2HD TYR 23 7.054 17.937 -4.481 143 HE1 TYR 23 1HE TYR 23 10.844 15.997 -7.046 144 HE2 TYR 23 2HE TYR 23 6.636 16.942 -6.704 145 HH TYR 23 HH TYR 23 9.168 15.163 -8.458 146 HA PRO 24 HA PRO 24 10.224 18.984 1.809 147 HB2 PRO 24 1HB PRO 24 11.113 17.128 3.571 148 HB3 PRO 24 2HB PRO 24 9.389 17.243 3.091 149 HG2 PRO 24 1HG PRO 24 11.501 15.350 2.137 150 HG3 PRO 24 2HG PRO 24 9.802 14.981 2.521 151 HD2 PRO 24 1HD PRO 24 10.803 15.459 -0.068 152 HD3 PRO 24 2HD PRO 24 9.105 15.625 0.419 153 H ASP 25 H ASP 25 12.463 18.834 3.437 154 HA ASP 25 HA ASP 25 14.863 18.747 1.880 155 HB2 ASP 25 1HB ASP 25 13.520 20.814 1.023 156 HB3 ASP 25 2HB ASP 25 13.841 21.513 2.616 157 H ASP 26 H ASP 26 16.654 19.724 3.292 158 HA ASP 26 HA ASP 26 17.829 19.792 5.117 159 HB2 ASP 26 1HB ASP 26 16.457 21.843 5.356 160 HB3 ASP 26 2HB ASP 26 15.449 20.999 6.532 161 H SER 27 H SER 27 14.798 19.060 6.880 162 HA SER 27 HA SER 27 14.984 16.359 6.389 163 HB2 SER 27 1HB SER 27 16.633 16.297 8.240 164 HB3 SER 27 2HB SER 27 15.457 17.063 9.321 165 HG SER 27 HG SER 27 14.925 14.616 7.925 166 H SER 28 H SER 28 12.759 16.095 6.023 167 HA SER 28 HA SER 28 10.920 16.961 8.209 168 HB2 SER 28 1HB SER 28 11.094 18.291 5.843 169 HB3 SER 28 2HB SER 28 9.895 17.052 5.435 170 HG SER 28 HG SER 28 9.835 18.917 7.585 171 H ALA 29 H ALA 29 12.126 14.443 7.685 172 HA ALA 29 HA ALA 29 10.103 12.509 6.808 173 HB1 ALA 29 1HB ALA 29 12.476 11.952 6.800 174 HB2 ALA 29 2HB ALA 29 12.605 12.257 8.549 175 HB3 ALA 29 3HB ALA 29 11.623 10.905 7.956 176 H GLY 30 H GLY 30 8.210 11.912 8.010 177 HA2 GLY 30 1HA GLY 30 8.376 11.485 10.833 178 HA3 GLY 30 2HA GLY 30 7.498 12.972 10.382 179 H SER 31 H SER 31 5.602 11.866 11.311 180 HA SER 31 HA SER 31 4.326 9.983 9.398 181 HB2 SER 31 1HB SER 31 3.217 8.961 11.357 182 HB3 SER 31 2HB SER 31 4.970 8.760 11.349 183 HG SER 31 HG SER 31 3.333 10.145 13.086 184 H PHE 32 H PHE 32 2.731 10.926 8.408 185 HA PHE 32 HA PHE 32 1.011 12.920 9.805 186 HB2 PHE 32 1HB PHE 32 0.979 14.349 7.865 187 HB3 PHE 32 2HB PHE 32 2.611 14.160 8.460 188 HD1 PHE 32 2HD PHE 32 4.084 12.277 7.265 189 HD2 PHE 32 1HD PHE 32 0.585 14.147 5.504 190 HE1 PHE 32 2HE PHE 32 4.832 11.600 5.045 191 HE2 PHE 32 1HE PHE 32 1.434 13.543 3.277 192 HZ PHE 32 HZ PHE 32 3.523 12.280 3.012 193 H ILE 33 H ILE 33 -0.929 13.408 7.968 194 HA ILE 33 HA ILE 33 -2.001 10.798 7.125 195 HB ILE 33 HB ILE 33 -3.515 12.799 8.870 196 HG12 ILE 33 1HG1 ILE 33 -2.246 10.128 9.587 197 HG13 ILE 33 2HG1 ILE 33 -1.908 11.704 10.288 198 HG21 ILE 33 1HG2 ILE 33 -4.335 10.024 7.900 199 HG22 ILE 33 2HG2 ILE 33 -5.319 11.118 8.895 200 HG23 ILE 33 3HG2 ILE 33 -4.954 11.561 7.248 201 HD11 ILE 33 3HD1 ILE 33 -4.223 11.741 11.246 202 HD12 ILE 33 1HD1 ILE 33 -4.418 10.055 10.697 203 HD13 ILE 33 2HD1 ILE 33 -3.172 10.464 11.878 204 H LEU 34 H LEU 34 -3.526 11.056 5.405 205 HA LEU 34 HA LEU 34 -3.563 13.742 4.112 206 HB2 LEU 34 1HB LEU 34 -2.907 11.009 2.970 207 HB3 LEU 34 2HB LEU 34 -3.389 12.345 1.933 208 HG LEU 34 HG LEU 34 -1.011 12.554 3.826 209 HD11 LEU 34 1HD1 LEU 34 0.419 11.975 1.953 210 HD12 LEU 34 2HD1 LEU 34 -0.983 11.710 0.892 211 HD13 LEU 34 3HD1 LEU 34 -0.687 10.647 2.287 212 HD21 LEU 34 3HD2 LEU 34 -1.985 14.681 2.866 213 HD22 LEU 34 1HD2 LEU 34 -1.671 14.000 1.228 214 HD23 LEU 34 2HD2 LEU 34 -0.343 14.371 2.340 215 H ASP 35 H ASP 35 -5.303 13.992 2.623 216 HA ASP 35 HA ASP 35 -7.802 12.587 3.341 217 HB2 ASP 35 1HB ASP 35 -7.338 14.871 1.385 218 HB3 ASP 35 2HB ASP 35 -8.886 14.261 1.937 219 H ILE 36 H ILE 36 -8.029 10.593 2.277 220 HA ILE 36 HA ILE 36 -7.656 10.512 -0.666 221 HB ILE 36 HB ILE 36 -7.281 8.395 1.510 222 HG12 ILE 36 1HG1 ILE 36 -5.092 8.216 -0.072 223 HG13 ILE 36 2HG1 ILE 36 -5.461 9.911 -0.347 224 HG21 ILE 36 1HG2 ILE 36 -6.780 6.815 -0.343 225 HG22 ILE 36 2HG2 ILE 36 -8.459 7.248 -0.200 226 HG23 ILE 36 3HG2 ILE 36 -7.476 7.984 -1.491 227 HD11 ILE 36 3HD1 ILE 36 -5.010 8.545 2.346 228 HD12 ILE 36 1HD1 ILE 36 -3.852 9.559 1.465 229 HD13 ILE 36 2HD1 ILE 36 -5.324 10.280 2.110 230 H THR 37 H THR 37 -9.416 9.883 -1.805 231 HA THR 37 HA THR 37 -11.950 9.273 -0.398 232 HB THR 37 HB THR 37 -11.460 8.962 -3.392 233 HG1 THR 37 1HG THR 37 -10.687 10.954 -3.018 234 HG21 THR 37 3HG2 THR 37 -13.617 8.253 -2.505 235 HG22 THR 37 1HG2 THR 37 -13.830 9.761 -3.437 236 HG23 THR 37 2HG2 THR 37 -13.790 9.803 -1.660 237 H SER 38 H SER 38 -12.471 7.071 0.183 238 HA SER 38 HA SER 38 -11.350 4.926 -1.530 239 HB2 SER 38 1HB SER 38 -10.641 3.808 0.704 240 HB3 SER 38 2HB SER 38 -9.630 5.053 -0.025 241 HG SER 38 HG SER 38 -11.212 5.234 2.291 242 H TYR 39 H TYR 39 -13.688 4.935 -2.203 243 HA TYR 39 HA TYR 39 -15.111 2.966 -0.594 244 HB2 TYR 39 1HB TYR 39 -17.147 4.280 -0.250 245 HB3 TYR 39 2HB TYR 39 -15.802 5.076 0.517 246 HD1 TYR 39 2HD TYR 39 -18.203 5.216 -2.322 247 HD2 TYR 39 1HD TYR 39 -15.110 7.316 -0.169 248 HE1 TYR 39 2HE TYR 39 -18.839 7.334 -3.465 249 HE2 TYR 39 1HE TYR 39 -15.798 9.422 -1.242 250 HH TYR 39 HH TYR 39 -16.988 10.334 -3.037 251 H LYS 40 H LYS 40 -17.248 2.388 -1.628 252 HA LYS 40 HA LYS 40 -17.393 2.915 -4.574 253 HB2 LYS 40 1HB LYS 40 -18.190 0.760 -4.963 254 HB3 LYS 40 2HB LYS 40 -16.575 0.742 -4.273 255 HG2 LYS 40 1HG LYS 40 -17.316 -0.929 -3.048 256 HG3 LYS 40 2HG LYS 40 -18.012 0.283 -1.998 257 HD2 LYS 40 1HD LYS 40 -20.197 -0.187 -2.689 258 HD3 LYS 40 2HD LYS 40 -19.701 -0.589 -4.336 259 HE2 LYS 40 1HE LYS 40 -18.523 -2.639 -3.395 260 HE3 LYS 40 2HE LYS 40 -19.254 -2.281 -1.841 261 HZ1 LYS 40 3HZ LYS 40 -20.618 -3.128 -4.329 262 HZ2 LYS 40 1HZ LYS 40 -21.461 -2.648 -2.985 263 HZ3 LYS 40 2HZ LYS 40 -20.463 -3.922 -2.927 264 H LYS 41 H LYS 41 -19.525 3.318 -5.320 265 HA LYS 41 HA LYS 41 -21.508 3.927 -3.184 266 HB2 LYS 41 1HB LYS 41 -20.285 5.809 -4.366 267 HB3 LYS 41 2HB LYS 41 -21.008 5.249 -5.880 268 HG2 LYS 41 1HG LYS 41 -23.270 5.689 -4.952 269 HG3 LYS 41 2HG LYS 41 -22.516 6.235 -3.438 270 HD2 LYS 41 1HD LYS 41 -21.171 7.881 -4.973 271 HD3 LYS 41 2HD LYS 41 -22.401 7.509 -6.196 272 HE2 LYS 41 1HE LYS 41 -24.174 8.247 -4.610 273 HE3 LYS 41 2HE LYS 41 -22.924 8.534 -3.372 274 HZ1 LYS 41 3HZ LYS 41 -23.262 9.992 -5.910 275 HZ2 LYS 41 1HZ LYS 41 -21.921 10.130 -4.956 276 HZ3 LYS 41 2HZ LYS 41 -23.358 10.610 -4.379 277 H THR 42 H THR 42 -23.502 3.081 -3.474 278 HA THR 42 HA THR 42 -24.872 2.400 -5.733 279 HB THR 42 HB THR 42 -23.226 0.745 -6.321 280 HG1 THR 42 1HG THR 42 -25.032 -0.027 -6.894 281 HG21 THR 42 3HG2 THR 42 -22.136 0.278 -4.162 282 HG22 THR 42 1HG2 THR 42 -22.744 -1.221 -4.882 283 HG23 THR 42 2HG2 THR 42 -23.642 -0.467 -3.551 284 H GLY 43 H GLY 43 -26.423 0.310 -4.717 285 HA2 GLY 43 1HA GLY 43 -28.261 0.096 -3.346 286 HA3 GLY 43 2HA GLY 43 -27.181 0.464 -1.976 287 H ASN 44 H ASN 44 -27.450 2.413 -0.982 288 HA ASN 44 HA ASN 44 -28.241 4.754 -2.543 289 HB2 ASN 44 1HB ASN 44 -30.395 3.778 -1.640 290 HB3 ASN 44 2HB ASN 44 -29.803 4.090 -0.012 291 HD21 ASN 44 1HD2 ASN 44 -30.489 6.128 0.798 292 HD22 ASN 44 2HD2 ASN 44 -30.910 7.477 -0.218 293 H SER 45 H SER 45 -25.780 3.657 -1.255 294 HA SER 45 HA SER 45 -25.027 5.919 0.427 295 HB2 SER 45 1HB SER 45 -24.811 3.105 1.527 296 HB3 SER 45 2HB SER 45 -24.394 4.599 2.365 297 HG SER 45 HG SER 45 -26.538 5.145 2.443 298 H THR 46 H THR 46 -22.649 4.940 1.422 299 HA THR 46 HA THR 46 -21.042 4.225 -0.934 300 HB THR 46 HB THR 46 -19.449 5.896 0.325 301 HG1 THR 46 1HG THR 46 -20.476 7.342 1.636 302 HG21 THR 46 3HG2 THR 46 -20.548 6.309 -1.894 303 HG22 THR 46 1HG2 THR 46 -20.388 7.785 -0.921 304 HG23 THR 46 2HG2 THR 46 -21.962 6.973 -1.049 305 H LYS 47 H LYS 47 -20.375 2.140 -0.460 306 HA LYS 47 HA LYS 47 -19.852 1.298 2.329 307 HB2 LYS 47 1HB LYS 47 -20.853 -0.414 1.016 308 HB3 LYS 47 2HB LYS 47 -19.749 -0.153 -0.342 309 HG2 LYS 47 1HG LYS 47 -17.918 -1.117 0.768 310 HG3 LYS 47 2HG LYS 47 -18.683 -1.035 2.363 311 HD2 LYS 47 1HD LYS 47 -19.679 -2.838 0.117 312 HD3 LYS 47 2HD LYS 47 -18.477 -3.314 1.320 313 HE2 LYS 47 1HE LYS 47 -20.146 -2.700 3.132 314 HE3 LYS 47 2HE LYS 47 -21.359 -2.490 1.859 315 HZ1 LYS 47 3HZ LYS 47 -19.990 -4.984 2.642 316 HZ2 LYS 47 1HZ LYS 47 -20.812 -4.878 1.242 317 HZ3 LYS 47 2HZ LYS 47 -21.614 -4.659 2.638 318 H ALA 48 H ALA 48 -17.921 1.613 3.250 319 HA ALA 48 HA ALA 48 -15.701 2.894 1.923 320 HB1 ALA 48 1HB ALA 48 -16.160 3.114 4.359 321 HB2 ALA 48 2HB ALA 48 -15.885 1.372 4.570 322 HB3 ALA 48 3HB ALA 48 -14.553 2.424 4.069 323 H LEU 49 H LEU 49 -13.553 1.903 1.745 324 HA LEU 49 HA LEU 49 -13.399 -1.040 1.775 325 HB2 LEU 49 1HB LEU 49 -12.470 0.724 -0.526 326 HB3 LEU 49 2HB LEU 49 -12.046 -0.977 -0.329 327 HG LEU 49 HG LEU 49 -14.884 0.024 -0.655 328 HD11 LEU 49 1HD1 LEU 49 -13.625 0.561 -2.617 329 HD12 LEU 49 2HD1 LEU 49 -14.819 -0.703 -2.905 330 HD13 LEU 49 3HD1 LEU 49 -13.087 -1.131 -2.764 331 HD21 LEU 49 3HD2 LEU 49 -15.414 -2.348 -1.195 332 HD22 LEU 49 1HD2 LEU 49 -14.771 -2.205 0.438 333 HD23 LEU 49 2HD2 LEU 49 -13.728 -2.795 -0.855 334 H SER 50 H SER 50 -11.258 -1.773 2.174 335 HA SER 50 HA SER 50 -9.407 0.278 3.306 336 HB2 SER 50 1HB SER 50 -9.791 -2.637 4.082 337 HB3 SER 50 2HB SER 50 -8.745 -1.454 4.884 338 HG SER 50 HG SER 50 -10.420 -0.757 5.934 339 H TRP 51 H TRP 51 -7.024 -0.485 3.266 340 HA TRP 51 HA TRP 51 -6.409 -1.943 0.736 341 HB2 TRP 51 1HB TRP 51 -5.104 -0.107 -0.020 342 HB3 TRP 51 2HB TRP 51 -6.779 0.399 0.134 343 HD1 TRP 51 HD TRP 51 -3.272 1.213 1.078 344 HE1 TRP 51 1HE TRP 51 -3.214 3.546 2.134 345 HE3 TRP 51 3HE TRP 51 -8.282 1.783 2.077 346 HZ2 TRP 51 2HZ TRP 51 -5.143 5.508 3.050 347 HZ3 TRP 51 3HZ TRP 51 -9.120 3.875 3.067 348 HH2 TRP 51 HH TRP 51 -7.581 5.770 3.503 349 H ASN 52 H ASN 52 -4.162 -2.125 0.218 350 HA ASN 52 HA ASN 52 -2.313 -2.320 2.532 351 HB2 ASN 52 1HB ASN 52 -1.306 -4.265 1.222 352 HB3 ASN 52 2HB ASN 52 -2.891 -4.561 1.922 353 HD21 ASN 52 1HD2 ASN 52 -1.150 -4.220 -1.267 354 HD22 ASN 52 2HD2 ASN 52 -2.586 -4.708 -2.121 355 H ALA 53 H ALA 53 -0.084 -1.926 1.989 356 HA ALA 53 HA ALA 53 0.679 -1.113 -0.696 357 HB1 ALA 53 1HB ALA 53 1.584 1.001 -0.145 358 HB2 ALA 53 2HB ALA 53 -0.045 1.050 0.572 359 HB3 ALA 53 3HB ALA 53 1.387 0.756 1.588 360 H SER 54 H SER 54 2.945 -1.467 -0.972 361 HA SER 54 HA SER 54 4.737 -1.598 1.199 362 HB2 SER 54 1HB SER 54 5.438 -4.080 0.733 363 HB3 SER 54 2HB SER 54 4.156 -3.709 1.885 364 HG SER 54 HG SER 54 2.633 -4.284 0.411 365 H GLY 55 H GLY 55 6.960 -1.754 0.512 366 HA2 GLY 55 1HA GLY 55 7.713 -2.705 -2.041 367 HA3 GLY 55 2HA GLY 55 7.570 -0.958 -2.139 368 H ASP 56 H ASP 56 8.626 0.170 -0.262 369 HA ASP 56 HA ASP 56 11.479 -0.405 -0.257 370 HB2 ASP 56 1HB ASP 56 9.635 1.849 0.498 371 HB3 ASP 56 2HB ASP 56 11.151 1.798 1.348 372 H SER 57 H SER 57 12.511 0.157 2.153 373 HA SER 57 HA SER 57 10.970 -1.264 4.272 374 HB2 SER 57 1HB SER 57 13.781 -1.578 3.355 375 HB3 SER 57 2HB SER 57 13.562 -1.518 5.106 376 HG SER 57 HG SER 57 12.079 -3.150 4.997 377 H TRP 58 H TRP 58 10.961 1.685 3.572 378 HA TRP 58 HA TRP 58 11.441 2.579 6.351 379 HB2 TRP 58 1HB TRP 58 12.375 4.731 5.580 380 HB3 TRP 58 2HB TRP 58 13.408 3.353 5.282 381 HD1 TRP 58 HD TRP 58 13.282 2.342 2.700 382 HE1 TRP 58 1HE TRP 58 13.110 3.511 0.463 383 HE3 TRP 58 3HE TRP 58 11.739 6.984 4.264 384 HZ2 TRP 58 2HZ TRP 58 13.196 6.301 -0.441 385 HZ3 TRP 58 3HZ TRP 58 11.683 8.882 2.621 386 HH2 TRP 58 HH TRP 58 12.482 8.557 0.318 387 H ILE 59 H ILE 59 9.127 2.306 3.951 388 HA ILE 59 HA ILE 59 7.766 4.864 4.556 389 HB ILE 59 HB ILE 59 7.683 3.149 2.040 390 HG12 ILE 59 1HG1 ILE 59 9.214 5.746 2.511 391 HG13 ILE 59 2HG1 ILE 59 9.920 4.153 2.273 392 HG21 ILE 59 1HG2 ILE 59 5.623 4.487 2.493 393 HG22 ILE 59 2HG2 ILE 59 6.608 5.959 2.543 394 HG23 ILE 59 3HG2 ILE 59 6.458 5.012 1.043 395 HD11 ILE 59 3HD1 ILE 59 8.410 5.733 0.181 396 HD12 ILE 59 1HD1 ILE 59 10.134 5.356 0.234 397 HD13 ILE 59 2HD1 ILE 59 8.956 4.057 -0.018 398 H HIS 60 H HIS 60 5.765 4.628 5.519 399 HA HIS 60 HA HIS 60 4.649 1.856 5.708 400 HB2 HIS 60 1HB HIS 60 5.054 3.913 7.902 401 HB3 HIS 60 2HB HIS 60 4.104 2.437 8.079 402 HD1 HIS 60 1HD HIS 60 5.402 0.218 8.586 403 HD2 HIS 60 2HD HIS 60 7.803 3.495 7.445 404 HE1 HIS 60 1HE HIS 60 7.814 -0.500 8.937 405 H VAL 61 H VAL 61 2.356 1.846 6.541 406 HA VAL 61 HA VAL 61 0.791 4.190 5.861 407 HB VAL 61 HB VAL 61 1.162 2.993 3.707 408 HG11 VAL 61 1HG1 VAL 61 1.328 0.675 4.417 409 HG12 VAL 61 2HG1 VAL 61 -0.358 0.679 4.981 410 HG13 VAL 61 3HG1 VAL 61 -0.017 0.851 3.270 411 HG21 VAL 61 3HG2 VAL 61 -0.859 4.357 4.078 412 HG22 VAL 61 1HG2 VAL 61 -1.133 3.016 2.953 413 HG23 VAL 61 2HG2 VAL 61 -1.729 2.914 4.626 414 H ASN 62 H ASN 62 -1.099 4.237 7.038 415 HA ASN 62 HA ASN 62 -1.948 1.809 8.489 416 HB2 ASN 62 1HB ASN 62 -0.669 4.142 9.710 417 HB3 ASN 62 2HB ASN 62 -2.296 3.936 10.323 418 HD21 ASN 62 1HD2 ASN 62 0.914 2.501 10.126 419 HD22 ASN 62 2HD2 ASN 62 0.594 1.082 11.078 420 H GLY 63 H GLY 63 -3.278 2.026 6.432 421 HA2 GLY 63 1HA GLY 63 -5.190 2.613 5.339 422 HA3 GLY 63 2HA GLY 63 -5.850 3.251 6.859 423 H SER 64 H SER 64 -6.151 5.440 6.851 424 HA SER 64 HA SER 64 -5.457 7.193 4.803 425 HB2 SER 64 1HB SER 64 -6.102 8.862 6.724 426 HB3 SER 64 2HB SER 64 -7.300 7.717 6.105 427 HG SER 64 HG SER 64 -5.832 7.516 8.535 428 H SER 65 H SER 65 -3.558 6.227 7.597 429 HA SER 65 HA SER 65 -2.043 8.701 7.691 430 HB2 SER 65 1HB SER 65 -1.788 6.150 9.315 431 HB3 SER 65 2HB SER 65 -1.308 7.791 9.792 432 HG SER 65 HG SER 65 -3.408 6.972 10.614 433 H VAL 66 H VAL 66 0.290 8.838 7.359 434 HA VAL 66 HA VAL 66 1.580 6.571 5.988 435 HB VAL 66 HB VAL 66 0.518 7.753 4.202 436 HG11 VAL 66 1HG1 VAL 66 0.962 10.195 3.752 437 HG12 VAL 66 2HG1 VAL 66 -0.083 9.891 5.145 438 HG13 VAL 66 3HG1 VAL 66 1.618 10.337 5.382 439 HG21 VAL 66 3HG2 VAL 66 3.375 8.773 4.203 440 HG22 VAL 66 1HG2 VAL 66 2.917 7.096 3.843 441 HG23 VAL 66 2HG2 VAL 66 2.343 8.425 2.807 442 H SER 67 H SER 67 3.835 6.600 6.159 443 HA SER 67 HA SER 67 5.110 8.929 7.417 444 HB2 SER 67 1HB SER 67 5.626 6.123 8.462 445 HB3 SER 67 2HB SER 67 6.126 7.672 9.162 446 HG SER 67 HG SER 67 4.334 6.780 10.266 447 H TYR 68 H TYR 68 7.404 8.960 6.993 448 HA TYR 68 HA TYR 68 8.618 6.680 5.729 449 HB2 TYR 68 1HB TYR 68 9.608 8.203 3.872 450 HB3 TYR 68 2HB TYR 68 8.073 7.405 3.656 451 HD1 TYR 68 1HD TYR 68 9.593 10.727 4.480 452 HD2 TYR 68 2HD TYR 68 6.095 8.568 3.170 453 HE1 TYR 68 1HE TYR 68 8.542 12.866 3.791 454 HE2 TYR 68 2HE TYR 68 5.072 10.689 2.405 455 HH TYR 68 HH TYR 68 6.522 13.890 2.963 456 H ASP 69 H ASP 69 10.565 6.494 6.595 457 HA ASP 69 HA ASP 69 11.603 8.804 8.172 458 HB2 ASP 69 1HB ASP 69 12.057 5.853 8.454 459 HB3 ASP 69 2HB ASP 69 12.876 7.111 9.363 460 H GLU 70 H GLU 70 13.288 9.809 7.292 461 HA GLU 70 HA GLU 70 14.313 8.816 4.771 462 HB2 GLU 70 1HB GLU 70 15.057 10.839 4.256 463 HB3 GLU 70 2HB GLU 70 13.543 11.099 5.115 464 HG2 GLU 70 1HG GLU 70 14.938 11.458 7.229 465 HG3 GLU 70 2HG GLU 70 16.329 11.205 6.143 466 H ASN 71 H ASN 71 16.606 9.135 4.140 467 HA ASN 71 HA ASN 71 17.890 7.023 5.623 468 HB2 ASN 71 1HB ASN 71 19.267 6.770 3.831 469 HB3 ASN 71 2HB ASN 71 17.967 7.613 3.023 470 HD21 ASN 71 1HD2 ASN 71 18.326 10.055 2.555 471 HD22 ASN 71 2HD2 ASN 71 19.975 10.501 2.345 472 HA PRO 72 HA PRO 72 19.946 9.287 8.606 473 HB2 PRO 72 1HB PRO 72 22.150 7.790 9.218 474 HB3 PRO 72 2HB PRO 72 20.478 7.196 9.484 475 HG2 PRO 72 1HG PRO 72 22.293 6.697 7.099 476 HG3 PRO 72 2HG PRO 72 21.391 5.483 8.064 477 HD2 PRO 72 1HD PRO 72 20.403 6.392 5.752 478 HD3 PRO 72 2HD PRO 72 19.328 6.122 7.158 479 H ALA 73 H ALA 73 21.470 9.140 5.559 480 HA ALA 73 HA ALA 73 23.538 11.119 6.384 481 HB1 ALA 73 1HB ALA 73 23.768 9.096 4.127 482 HB2 ALA 73 2HB ALA 73 25.021 10.232 4.706 483 HB3 ALA 73 3HB ALA 73 24.512 8.888 5.740 484 H LYS 74 H LYS 74 24.338 12.103 4.179 485 HA LYS 74 HA LYS 74 22.064 13.670 3.314 486 HB2 LYS 74 1HB LYS 74 23.790 15.317 2.634 487 HB3 LYS 74 2HB LYS 74 23.729 14.919 4.334 488 HG2 LYS 74 1HG LYS 74 25.585 13.418 2.536 489 HG3 LYS 74 2HG LYS 74 26.033 15.054 3.057 490 HD2 LYS 74 1HD LYS 74 26.537 14.425 5.191 491 HD3 LYS 74 2HD LYS 74 25.221 13.283 5.307 492 HE2 LYS 74 1HE LYS 74 26.981 11.837 5.373 493 HE3 LYS 74 2HE LYS 74 26.687 11.845 3.626 494 HZ1 LYS 74 3HZ LYS 74 28.438 13.620 3.539 495 HZ2 LYS 74 1HZ LYS 74 28.974 12.123 4.080 496 HZ3 LYS 74 2HZ LYS 74 28.706 13.348 5.146 497 H GLU 75 H GLU 75 22.826 10.954 2.052 498 HA GLU 75 HA GLU 75 23.365 11.822 -0.723 499 HB2 GLU 75 1HB GLU 75 23.064 9.086 0.550 500 HB3 GLU 75 2HB GLU 75 23.204 9.343 -1.198 501 HG2 GLU 75 1HG GLU 75 25.358 10.437 -0.950 502 HG3 GLU 75 2HG GLU 75 25.244 10.433 0.797 503 H ARG 76 H ARG 76 21.747 11.370 -2.329 504 HA ARG 76 HA ARG 76 19.044 12.101 -1.406 505 HB2 ARG 76 1HB ARG 76 20.442 12.999 -3.495 506 HB3 ARG 76 2HB ARG 76 19.865 11.528 -4.273 507 HG2 ARG 76 1HG ARG 76 17.503 12.412 -3.442 508 HG3 ARG 76 2HG ARG 76 18.363 13.960 -3.386 509 HD2 ARG 76 1HD ARG 76 17.906 12.147 -5.783 510 HD3 ARG 76 2HD ARG 76 17.152 13.701 -5.490 511 HE ARG 76 HE ARG 76 19.853 13.115 -6.491 512 HH11 ARG 76 1HH1 ARG 76 17.624 15.675 -5.419 513 HH12 ARG 76 2HH1 ARG 76 18.309 16.923 -6.376 514 HH21 ARG 76 1HH2 ARG 76 20.846 14.789 -7.769 515 HH22 ARG 76 2HH2 ARG 76 20.267 16.404 -7.682 516 H ARG 77 H ARG 77 17.205 10.616 -1.488 517 HA ARG 77 HA ARG 77 17.609 8.099 -2.951 518 HB2 ARG 77 1HB ARG 77 17.600 8.230 0.016 519 HB3 ARG 77 2HB ARG 77 16.458 7.063 -0.638 520 HG2 ARG 77 1HG ARG 77 19.386 7.144 -1.418 521 HG3 ARG 77 2HG ARG 77 18.720 6.109 -0.165 522 HD2 ARG 77 1HD ARG 77 17.560 4.738 -1.668 523 HD3 ARG 77 2HD ARG 77 17.479 5.984 -2.920 524 HE ARG 77 HE ARG 77 20.087 5.696 -2.838 525 HH11 ARG 77 1HH1 ARG 77 17.626 3.134 -3.206 526 HH12 ARG 77 2HH1 ARG 77 18.758 2.015 -3.873 527 HH21 ARG 77 1HH2 ARG 77 21.425 4.370 -3.866 528 HH22 ARG 77 2HH2 ARG 77 20.909 2.871 -4.599 529 H THR 78 H THR 78 16.046 8.754 -4.414 530 HA THR 78 HA THR 78 13.411 9.478 -3.575 531 HB THR 78 HB THR 78 14.388 8.345 -6.223 532 HG1 THR 78 1HG THR 78 15.483 10.179 -5.811 533 HG21 THR 78 3HG2 THR 78 11.980 8.223 -6.169 534 HG22 THR 78 1HG2 THR 78 12.400 9.669 -7.105 535 HG23 THR 78 2HG2 THR 78 11.845 9.808 -5.415 536 H GLY 79 H GLY 79 11.971 8.127 -2.555 537 HA2 GLY 79 1HA GLY 79 12.251 5.179 -2.727 538 HA3 GLY 79 2HA GLY 79 11.211 6.098 -1.641 539 H LEU 80 H LEU 80 10.261 3.817 -2.991 540 HA LEU 80 HA LEU 80 7.916 4.918 -4.202 541 HB2 LEU 80 1HB LEU 80 9.444 4.919 -6.183 542 HB3 LEU 80 2HB LEU 80 9.684 3.182 -5.956 543 HG LEU 80 HG LEU 80 7.306 2.727 -6.386 544 HD11 LEU 80 1HD1 LEU 80 6.261 4.841 -5.659 545 HD12 LEU 80 2HD1 LEU 80 5.831 4.457 -7.311 546 HD13 LEU 80 3HD1 LEU 80 7.052 5.711 -6.993 547 HD21 LEU 80 3HD2 LEU 80 8.579 4.435 -8.567 548 HD22 LEU 80 1HD2 LEU 80 7.337 3.185 -8.779 549 HD23 LEU 80 2HD2 LEU 80 8.951 2.738 -8.227 550 H VAL 81 H VAL 81 6.512 3.691 -3.024 551 HA VAL 81 HA VAL 81 6.761 0.744 -3.187 552 HB VAL 81 HB VAL 81 5.293 0.558 -1.349 553 HG11 VAL 81 1HG1 VAL 81 7.642 1.435 -0.859 554 HG12 VAL 81 2HG1 VAL 81 6.900 3.003 -0.565 555 HG13 VAL 81 3HG1 VAL 81 6.439 1.623 0.440 556 HG21 VAL 81 3HG2 VAL 81 4.605 3.504 -1.515 557 HG22 VAL 81 1HG2 VAL 81 3.512 2.117 -1.814 558 HG23 VAL 81 2HG2 VAL 81 4.143 2.408 -0.200 559 H THR 82 H THR 82 4.297 -0.270 -3.348 560 HA THR 82 HA THR 82 2.624 1.473 -5.052 561 HB THR 82 HB THR 82 2.811 -1.503 -5.565 562 HG1 THR 82 1HG THR 82 4.214 0.483 -7.041 563 HG21 THR 82 3HG2 THR 82 1.914 -0.820 -7.812 564 HG22 THR 82 1HG2 THR 82 1.778 0.850 -7.215 565 HG23 THR 82 2HG2 THR 82 0.814 -0.450 -6.481 566 H LEU 83 H LEU 83 0.279 0.787 -4.895 567 HA LEU 83 HA LEU 83 -0.416 -0.768 -2.513 568 HB2 LEU 83 1HB LEU 83 -1.976 1.008 -1.815 569 HB3 LEU 83 2HB LEU 83 -0.279 1.346 -1.671 570 HG LEU 83 HG LEU 83 -0.846 2.476 -4.165 571 HD11 LEU 83 1HD1 LEU 83 -2.991 3.094 -2.104 572 HD12 LEU 83 2HD1 LEU 83 -3.229 2.275 -3.673 573 HD13 LEU 83 3HD1 LEU 83 -2.725 3.943 -3.613 574 HD21 LEU 83 3HD2 LEU 83 -0.247 4.503 -2.787 575 HD22 LEU 83 1HD2 LEU 83 0.768 3.092 -2.455 576 HD23 LEU 83 2HD2 LEU 83 -0.519 3.525 -1.328 577 H LYS 84 H LYS 84 -2.771 -1.357 -2.483 578 HA LYS 84 HA LYS 84 -4.429 -0.536 -4.703 579 HB2 LYS 84 1HB LYS 84 -3.078 -2.713 -5.395 580 HB3 LYS 84 2HB LYS 84 -4.214 -3.540 -4.317 581 HG2 LYS 84 1HG LYS 84 -6.104 -2.833 -5.712 582 HG3 LYS 84 2HG LYS 84 -5.080 -1.686 -6.594 583 HD2 LYS 84 1HD LYS 84 -3.789 -3.500 -7.567 584 HD3 LYS 84 2HD LYS 84 -4.805 -4.697 -6.726 585 HE2 LYS 84 1HE LYS 84 -6.797 -3.903 -7.915 586 HE3 LYS 84 2HE LYS 84 -5.871 -2.571 -8.640 587 HZ1 LYS 84 3HZ LYS 84 -5.338 -5.404 -9.208 588 HZ2 LYS 84 1HZ LYS 84 -4.651 -4.102 -9.937 589 HZ3 LYS 84 2HZ LYS 84 -6.253 -4.368 -10.143 590 H GLN 85 H GLN 85 -6.705 -1.174 -4.305 591 HA GLN 85 HA GLN 85 -7.275 -1.283 -1.397 592 HB2 GLN 85 1HB GLN 85 -8.008 0.567 -3.230 593 HB3 GLN 85 2HB GLN 85 -9.261 -0.620 -3.526 594 HG2 GLN 85 1HG GLN 85 -10.442 -0.094 -1.660 595 HG3 GLN 85 2HG GLN 85 -8.991 0.038 -0.662 596 HE21 GLN 85 1HE2 GLN 85 -10.800 1.834 -3.224 597 HE22 GLN 85 2HE2 GLN 85 -10.157 3.399 -2.759 598 H ASP 86 H ASP 86 -9.260 -2.436 -0.731 599 HA ASP 86 HA ASP 86 -9.178 -5.077 -1.223 600 HB2 ASP 86 1HB ASP 86 -10.296 -4.027 0.699 601 HB3 ASP 86 2HB ASP 86 -11.626 -3.503 -0.347 602 H GLU 87 H GLU 87 -11.826 -3.049 -2.542 603 HA GLU 87 HA GLU 87 -12.240 -5.118 -4.678 604 HB2 GLU 87 1HB GLU 87 -14.255 -3.198 -3.459 605 HB3 GLU 87 2HB GLU 87 -14.548 -4.358 -4.757 606 HG2 GLU 87 1HG GLU 87 -13.733 -6.091 -2.925 607 HG3 GLU 87 2HG GLU 87 -14.237 -4.818 -1.813 608 H SER 88 H SER 88 -11.053 -2.056 -4.228 609 HA SER 88 HA SER 88 -11.994 -0.907 -6.782 610 HB2 SER 88 1HB SER 88 -9.780 0.370 -5.210 611 HB3 SER 88 2HB SER 88 -11.009 1.076 -6.236 612 HG SER 88 HG SER 88 -12.209 1.352 -4.618 613 H GLY 89 H GLY 89 -9.294 0.282 -7.303 614 HA2 GLY 89 1HA GLY 89 -7.415 -1.731 -7.491 615 HA3 GLY 89 2HA GLY 89 -8.240 -1.780 -9.038 616 H LYS 90 H LYS 90 -8.237 1.470 -7.984 617 HA LYS 90 HA LYS 90 -6.097 2.271 -9.814 618 HB2 LYS 90 1HB LYS 90 -7.873 3.724 -7.801 619 HB3 LYS 90 2HB LYS 90 -6.369 4.446 -8.348 620 HG2 LYS 90 1HG LYS 90 -7.197 3.953 -10.745 621 HG3 LYS 90 2HG LYS 90 -8.802 3.787 -10.034 622 HD2 LYS 90 1HD LYS 90 -8.922 6.015 -9.375 623 HD3 LYS 90 2HD LYS 90 -7.175 6.251 -9.366 624 HE2 LYS 90 1HE LYS 90 -8.875 5.912 -11.872 625 HE3 LYS 90 2HE LYS 90 -8.288 7.439 -11.217 626 HZ1 LYS 90 3HZ LYS 90 -6.663 5.269 -12.374 627 HZ2 LYS 90 1HZ LYS 90 -5.979 6.434 -11.482 628 HZ3 LYS 90 2HZ LYS 90 -6.777 6.833 -12.869 629 H THR 91 H THR 91 -4.070 1.572 -9.284 630 HA THR 91 HA THR 91 -3.088 1.633 -6.548 631 HB THR 91 HB THR 91 -0.914 1.421 -7.677 632 HG1 THR 91 1HG THR 91 -0.720 1.562 -9.801 633 HG21 THR 91 3HG2 THR 91 -2.902 -0.352 -9.201 634 HG22 THR 91 1HG2 THR 91 -2.491 -0.636 -7.512 635 HG23 THR 91 2HG2 THR 91 -1.224 -0.717 -8.759 636 H LEU 92 H LEU 92 -1.653 3.366 -5.711 637 HA LEU 92 HA LEU 92 -2.035 6.004 -7.143 638 HB2 LEU 92 1HB LEU 92 -1.354 5.427 -4.277 639 HB3 LEU 92 2HB LEU 92 -1.366 7.038 -5.006 640 HG LEU 92 HG LEU 92 -3.864 5.297 -4.796 641 HD11 LEU 92 1HD1 LEU 92 -2.963 5.925 -2.559 642 HD12 LEU 92 2HD1 LEU 92 -4.469 6.775 -2.921 643 HD13 LEU 92 3HD1 LEU 92 -2.934 7.625 -3.062 644 HD21 LEU 92 3HD2 LEU 92 -4.045 6.973 -6.597 645 HD22 LEU 92 1HD2 LEU 92 -3.656 8.258 -5.420 646 HD23 LEU 92 2HD2 LEU 92 -5.137 7.311 -5.256 647 H SER 93 H SER 93 0.213 7.217 -6.169 648 HA SER 93 HA SER 93 2.411 5.378 -6.101 649 HB2 SER 93 1HB SER 93 2.328 5.799 -8.512 650 HB3 SER 93 2HB SER 93 2.413 7.539 -8.218 651 HG SER 93 HG SER 93 4.469 7.285 -7.405 652 H LEU 94 H LEU 94 3.069 5.963 -4.275 653 HA LEU 94 HA LEU 94 3.255 8.764 -3.293 654 HB2 LEU 94 1HB LEU 94 2.566 7.178 -1.612 655 HB3 LEU 94 2HB LEU 94 3.878 6.082 -2.020 656 HG LEU 94 HG LEU 94 5.548 7.640 -1.152 657 HD11 LEU 94 1HD1 LEU 94 4.496 9.840 -1.619 658 HD12 LEU 94 2HD1 LEU 94 4.961 9.683 0.068 659 HD13 LEU 94 3HD1 LEU 94 3.266 9.500 -0.392 660 HD21 LEU 94 3HD2 LEU 94 4.936 7.481 1.225 661 HD22 LEU 94 1HD2 LEU 94 4.436 6.018 0.359 662 HD23 LEU 94 2HD2 LEU 94 3.234 7.243 0.794 663 H LYS 95 H LYS 95 5.087 9.853 -3.916 664 HA LYS 95 HA LYS 95 7.639 8.317 -4.006 665 HB2 LYS 95 1HB LYS 95 6.527 10.058 -6.109 666 HB3 LYS 95 2HB LYS 95 8.034 10.707 -5.447 667 HG2 LYS 95 1HG LYS 95 9.216 8.638 -5.852 668 HG3 LYS 95 2HG LYS 95 7.739 7.872 -6.486 669 HD2 LYS 95 1HD LYS 95 7.676 9.395 -8.372 670 HD3 LYS 95 2HD LYS 95 8.880 10.446 -7.622 671 HE2 LYS 95 1HE LYS 95 9.896 9.199 -9.428 672 HE3 LYS 95 2HE LYS 95 10.621 8.778 -7.873 673 HZ1 LYS 95 3HZ LYS 95 9.197 6.782 -7.872 674 HZ2 LYS 95 1HZ LYS 95 10.273 6.819 -9.111 675 HZ3 LYS 95 2HZ LYS 95 8.693 7.169 -9.409 676 H ILE 96 H ILE 96 9.388 9.467 -3.137 677 HA ILE 96 HA ILE 96 8.833 11.993 -1.695 678 HB ILE 96 HB ILE 96 10.269 9.539 -0.528 679 HG12 ILE 96 1HG1 ILE 96 8.318 10.336 1.276 680 HG13 ILE 96 2HG1 ILE 96 7.475 10.573 -0.223 681 HG21 ILE 96 1HG2 ILE 96 9.951 12.353 0.556 682 HG22 ILE 96 2HG2 ILE 96 10.470 10.945 1.517 683 HG23 ILE 96 3HG2 ILE 96 11.441 11.448 0.145 684 HD11 ILE 96 3HD1 ILE 96 7.125 8.297 0.665 685 HD12 ILE 96 1HD1 ILE 96 8.027 8.196 -0.862 686 HD13 ILE 96 2HD1 ILE 96 8.873 8.017 0.696 687 H VAL 97 H VAL 97 10.295 13.450 -2.580 688 HA VAL 97 HA VAL 97 12.909 12.399 -3.567 689 HB VAL 97 HB VAL 97 11.193 14.567 -4.845 690 HG11 VAL 97 1HG1 VAL 97 12.897 14.458 -6.673 691 HG12 VAL 97 2HG1 VAL 97 13.606 14.957 -5.136 692 HG13 VAL 97 3HG1 VAL 97 13.836 13.293 -5.705 693 HG21 VAL 97 3HG2 VAL 97 11.802 11.873 -6.058 694 HG22 VAL 97 1HG2 VAL 97 10.240 12.294 -5.301 695 HG23 VAL 97 2HG2 VAL 97 10.797 13.167 -6.724 696 H GLN 98 H GLN 98 14.277 13.155 -1.924 697 HA GLN 98 HA GLN 98 14.185 16.002 -1.316 698 HB2 GLN 98 1HB GLN 98 14.587 15.099 1.190 699 HB3 GLN 98 2HB GLN 98 13.063 15.618 0.517 700 HG2 GLN 98 1HG GLN 98 12.746 13.686 1.799 701 HG3 GLN 98 2HG GLN 98 12.359 13.365 0.130 702 HE21 GLN 98 1HE2 GLN 98 13.086 11.732 2.608 703 HE22 GLN 98 2HE2 GLN 98 14.365 10.645 2.051 704 HA PRO 99 HA PRO 99 18.674 15.247 -0.712 705 HB2 PRO 99 1HB PRO 99 19.230 16.991 1.314 706 HB3 PRO 99 2HB PRO 99 18.918 17.567 -0.346 707 HG2 PRO 99 1HG PRO 99 16.960 17.391 1.980 708 HG3 PRO 99 2HG PRO 99 17.314 18.792 0.924 709 HD2 PRO 99 1HD PRO 99 15.213 17.142 0.446 710 HD3 PRO 99 2HD PRO 99 16.156 17.824 -0.899 711 H GLY 100 H GLY 100 20.032 14.929 1.434 712 HA2 GLY 100 1HA GLY 100 18.476 13.019 3.104 713 HA3 GLY 100 2HA GLY 100 20.172 12.803 2.691 714 H LYS 101 H LYS 101 19.864 12.686 5.226 715 HA LYS 101 HA LYS 101 19.442 15.199 6.662 716 HB2 LYS 101 1HB LYS 101 19.968 12.322 7.496 717 HB3 LYS 101 2HB LYS 101 20.161 13.641 8.657 718 HG2 LYS 101 1HG LYS 101 17.911 14.475 8.119 719 HG3 LYS 101 2HG LYS 101 17.625 13.053 7.099 720 HD2 LYS 101 1HD LYS 101 18.416 12.869 10.029 721 HD3 LYS 101 2HD LYS 101 16.735 13.062 9.542 722 HE2 LYS 101 1HE LYS 101 16.685 10.956 8.398 723 HE3 LYS 101 2HE LYS 101 18.435 10.765 8.528 724 HZ1 LYS 101 3HZ LYS 101 16.887 9.586 10.220 725 HZ2 LYS 101 1HZ LYS 101 16.803 11.035 10.961 726 HZ3 LYS 101 2HZ LYS 101 18.262 10.328 10.808 727 H THR 102 H THR 102 20.859 16.526 7.438 728 HA THR 102 HA THR 102 23.536 15.817 8.299 729 HB THR 102 HB THR 102 24.021 18.150 6.696 730 HG1 THR 102 1HG THR 102 22.035 17.397 5.578 731 HG21 THR 102 3HG2 THR 102 25.472 16.589 5.407 732 HG22 THR 102 1HG2 THR 102 24.733 15.246 6.333 733 HG23 THR 102 2HG2 THR 102 25.663 16.489 7.174 734 H SER 103 H SER 103 20.911 17.085 9.164 735 HA SER 103 HA SER 103 21.585 19.912 9.497 736 HB2 SER 103 1HB SER 103 19.148 19.960 10.171 737 HB3 SER 103 2HB SER 103 19.479 19.398 8.548 738 HG SER 103 HG SER 103 18.993 17.684 10.769 739 H ILE 104 H ILE 104 20.323 20.656 11.802 740 HA ILE 104 HA ILE 104 21.817 19.365 13.984 741 HB ILE 104 HB ILE 104 19.703 21.548 14.249 742 HG12 ILE 104 1HG1 ILE 104 21.933 22.967 14.682 743 HG13 ILE 104 2HG1 ILE 104 22.615 21.847 13.507 744 HG21 ILE 104 1HG2 ILE 104 20.274 20.243 16.274 745 HG22 ILE 104 2HG2 ILE 104 21.994 20.617 16.041 746 HG23 ILE 104 3HG2 ILE 104 20.835 21.910 16.411 747 HD11 ILE 104 3HD1 ILE 104 21.781 23.930 12.463 748 HD12 ILE 104 1HD1 ILE 104 20.822 22.564 11.880 749 HD13 ILE 104 2HD1 ILE 104 20.164 23.643 13.127 750 H ASP 105 H ASP 105 20.878 17.320 13.240 751 HA ASP 105 HA ASP 105 18.150 16.833 14.289 752 HB2 ASP 105 1HB ASP 105 17.694 15.303 12.721 753 HB3 ASP 105 2HB ASP 105 18.728 16.311 11.758 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -23.384 -9.838 -14.006 2 HA2 GLY 1 1HA GLY 1 -23.998 -9.193 -11.757 3 HA3 GLY 1 2HA GLY 1 -23.599 -7.516 -12.187 4 H HIS 2 H HIS 2 -26.159 -8.115 -11.129 5 HA HIS 2 HA HIS 2 -28.068 -8.261 -13.330 6 HB2 HIS 2 1HB HIS 2 -28.336 -7.186 -10.489 7 HB3 HIS 2 2HB HIS 2 -29.660 -7.419 -11.620 8 HD1 HIS 2 1HD HIS 2 -30.184 -8.921 -9.122 9 HD2 HIS 2 2HD HIS 2 -27.799 -10.488 -12.228 10 HE1 HIS 2 1HE HIS 2 -30.152 -11.462 -8.829 11 H MET 3 H MET 3 -29.433 -6.373 -13.860 12 HA MET 3 HA MET 3 -28.094 -3.783 -14.090 13 HB2 MET 3 1HB MET 3 -29.859 -4.596 -15.708 14 HB3 MET 3 2HB MET 3 -31.033 -4.573 -14.385 15 HG2 MET 3 1HG MET 3 -31.250 -2.590 -15.760 16 HG3 MET 3 2HG MET 3 -30.720 -2.130 -14.146 17 HE1 MET 3 3HE MET 3 -29.167 0.514 -16.702 18 HE2 MET 3 1HE MET 3 -30.700 -0.362 -16.883 19 HE3 MET 3 2HE MET 3 -30.243 0.309 -15.299 20 H GLY 4 H GLY 4 -28.484 -2.052 -12.595 21 HA2 GLY 4 1HA GLY 4 -30.490 -2.297 -10.522 22 HA3 GLY 4 2HA GLY 4 -28.839 -2.489 -9.892 23 H SER 5 H SER 5 -27.300 -0.740 -10.243 24 HA SER 5 HA SER 5 -28.407 1.858 -11.113 25 HB2 SER 5 1HB SER 5 -27.148 2.719 -8.957 26 HB3 SER 5 2HB SER 5 -28.809 2.124 -8.872 27 HG SER 5 HG SER 5 -26.473 1.035 -7.831 28 HA PRO 6 HA PRO 6 -24.099 2.381 -12.521 29 HB2 PRO 6 1HB PRO 6 -23.545 4.977 -11.786 30 HB3 PRO 6 2HB PRO 6 -24.467 4.540 -13.249 31 HG2 PRO 6 1HG PRO 6 -25.523 5.380 -10.539 32 HG3 PRO 6 2HG PRO 6 -26.059 5.936 -12.161 33 HD2 PRO 6 1HD PRO 6 -27.414 4.029 -10.779 34 HD3 PRO 6 2HD PRO 6 -27.235 3.923 -12.553 35 H VAL 7 H VAL 7 -22.296 1.735 -11.399 36 HA VAL 7 HA VAL 7 -22.071 2.530 -8.550 37 HB VAL 7 HB VAL 7 -20.472 0.339 -9.929 38 HG11 VAL 7 1HG1 VAL 7 -19.459 1.368 -7.950 39 HG12 VAL 7 2HG1 VAL 7 -20.937 1.111 -7.022 40 HG13 VAL 7 3HG1 VAL 7 -19.993 -0.288 -7.590 41 HG21 VAL 7 3HG2 VAL 7 -23.145 0.179 -8.532 42 HG22 VAL 7 1HG2 VAL 7 -22.638 -0.555 -10.048 43 HG23 VAL 7 2HG2 VAL 7 -22.021 -1.198 -8.524 44 H SER 8 H SER 8 -20.468 3.850 -8.025 45 HA SER 8 HA SER 8 -18.319 4.401 -10.011 46 HB2 SER 8 1HB SER 8 -20.049 6.227 -8.469 47 HB3 SER 8 2HB SER 8 -18.323 6.490 -8.217 48 HG SER 8 HG SER 8 -19.699 6.324 -10.725 49 H TYR 9 H TYR 9 -16.360 3.691 -9.268 50 HA TYR 9 HA TYR 9 -16.001 3.275 -6.332 51 HB2 TYR 9 1HB TYR 9 -14.465 2.282 -8.716 52 HB3 TYR 9 2HB TYR 9 -13.679 2.504 -7.163 53 HD1 TYR 9 1HD TYR 9 -17.124 1.170 -7.942 54 HD2 TYR 9 2HD TYR 9 -13.316 0.461 -6.092 55 HE1 TYR 9 1HE TYR 9 -17.879 -1.077 -7.277 56 HE2 TYR 9 2HE TYR 9 -14.000 -1.833 -5.506 57 HH TYR 9 HH TYR 9 -17.396 -2.954 -6.031 58 H TYR 10 H TYR 10 -14.267 4.327 -5.323 59 HA TYR 10 HA TYR 10 -13.190 6.776 -6.589 60 HB2 TYR 10 1HB TYR 10 -14.504 6.489 -3.846 61 HB3 TYR 10 2HB TYR 10 -13.503 7.840 -4.351 62 HD1 TYR 10 1HD TYR 10 -16.697 6.050 -5.121 63 HD2 TYR 10 2HD TYR 10 -14.422 9.688 -5.510 64 HE1 TYR 10 1HE TYR 10 -18.714 7.204 -5.955 65 HE2 TYR 10 2HE TYR 10 -16.429 10.871 -6.320 66 HH TYR 10 HH TYR 10 -19.518 9.203 -6.969 67 H PHE 11 H PHE 11 -11.087 5.921 -6.763 68 HA PHE 11 HA PHE 11 -9.767 5.556 -4.183 69 HB2 PHE 11 1HB PHE 11 -10.234 3.210 -5.370 70 HB3 PHE 11 2HB PHE 11 -9.037 3.747 -6.488 71 HD1 PHE 11 1HD PHE 11 -9.008 4.318 -2.700 72 HD2 PHE 11 2HD PHE 11 -7.367 2.185 -6.073 73 HE1 PHE 11 1HE PHE 11 -7.309 3.327 -1.245 74 HE2 PHE 11 2HE PHE 11 -5.673 1.171 -4.600 75 HZ PHE 11 HZ PHE 11 -5.632 1.728 -2.178 76 H SER 12 H SER 12 -9.074 7.617 -4.359 77 HA SER 12 HA SER 12 -6.751 8.095 -5.997 78 HB2 SER 12 1HB SER 12 -8.692 10.378 -5.876 79 HB3 SER 12 2HB SER 12 -7.379 10.097 -7.008 80 HG SER 12 HG SER 12 -9.917 9.721 -7.319 81 H TYR 13 H TYR 13 -6.134 10.705 -4.914 82 HA TYR 13 HA TYR 13 -6.327 10.211 -1.990 83 HB2 TYR 13 1HB TYR 13 -5.149 12.493 -3.638 84 HB3 TYR 13 2HB TYR 13 -5.268 12.486 -1.877 85 HD1 TYR 13 1HD TYR 13 -3.912 10.208 -4.601 86 HD2 TYR 13 2HD TYR 13 -3.374 11.939 -0.683 87 HE1 TYR 13 1HE TYR 13 -1.748 9.073 -4.413 88 HE2 TYR 13 2HE TYR 13 -1.203 10.811 -0.483 89 HH TYR 13 HH TYR 13 0.117 8.720 -3.127 90 H ALA 14 H ALA 14 -6.931 13.461 -3.162 91 HA ALA 14 HA ALA 14 -9.869 13.064 -3.351 92 HB1 ALA 14 1HB ALA 14 -9.358 13.566 -0.972 93 HB2 ALA 14 2HB ALA 14 -8.560 15.067 -1.451 94 HB3 ALA 14 3HB ALA 14 -10.294 14.855 -1.737 95 H ASP 15 H ASP 15 -7.445 15.625 -3.248 96 HA ASP 15 HA ASP 15 -8.692 16.988 -5.572 97 HB2 ASP 15 1HB ASP 15 -8.130 19.081 -4.344 98 HB3 ASP 15 2HB ASP 15 -9.361 18.089 -3.578 99 H GLY 16 H GLY 16 -6.071 15.329 -4.649 100 HA2 GLY 16 1HA GLY 16 -4.076 16.940 -6.190 101 HA3 GLY 16 2HA GLY 16 -3.744 15.474 -5.256 102 H GLY 17 H GLY 17 -4.822 13.430 -6.052 103 HA2 GLY 17 1HA GLY 17 -6.170 13.064 -8.431 104 HA3 GLY 17 2HA GLY 17 -4.441 13.096 -8.872 105 H THR 18 H THR 18 -4.597 10.868 -9.459 106 HA THR 18 HA THR 18 -4.980 8.796 -7.454 107 HB THR 18 HB THR 18 -4.258 7.417 -9.502 108 HG1 THR 18 1HG THR 18 -4.391 8.690 -11.467 109 HG21 THR 18 3HG2 THR 18 -6.651 7.840 -8.966 110 HG22 THR 18 1HG2 THR 18 -6.376 7.860 -10.726 111 HG23 THR 18 2HG2 THR 18 -6.581 9.375 -9.850 112 H SER 19 H SER 19 -2.800 10.991 -7.129 113 HA SER 19 HA SER 19 -0.434 9.301 -6.863 114 HB2 SER 19 1HB SER 19 -0.735 9.981 -9.304 115 HB3 SER 19 2HB SER 19 -0.632 11.673 -8.794 116 HG SER 19 HG SER 19 1.260 10.360 -9.597 117 H HIS 20 H HIS 20 1.259 10.509 -5.623 118 HA HIS 20 HA HIS 20 0.830 13.363 -5.319 119 HB2 HIS 20 1HB HIS 20 0.369 11.654 -3.084 120 HB3 HIS 20 2HB HIS 20 1.966 12.302 -2.845 121 HD1 HIS 20 1HD HIS 20 -1.684 13.391 -2.919 122 HD2 HIS 20 2HD HIS 20 2.190 14.957 -2.391 123 HE1 HIS 20 1HE HIS 20 -1.978 15.782 -2.052 124 H THR 21 H THR 21 2.877 14.421 -4.889 125 HA THR 21 HA THR 21 5.221 12.756 -4.673 126 HB THR 21 HB THR 21 5.124 15.131 -6.595 127 HG1 THR 21 1HG THR 21 4.227 13.054 -7.302 128 HG21 THR 21 3HG2 THR 21 7.288 15.054 -5.529 129 HG22 THR 21 1HG2 THR 21 7.456 14.403 -7.157 130 HG23 THR 21 2HG2 THR 21 7.422 13.317 -5.740 131 H GLU 22 H GLU 22 6.787 13.863 -3.235 132 HA GLU 22 HA GLU 22 6.024 16.572 -2.337 133 HB2 GLU 22 1HB GLU 22 5.285 14.721 -0.718 134 HB3 GLU 22 2HB GLU 22 7.006 14.359 -0.509 135 HG2 GLU 22 1HG GLU 22 7.209 16.886 0.130 136 HG3 GLU 22 2HG GLU 22 5.452 16.874 0.235 137 H TYR 23 H TYR 23 7.847 17.768 -1.741 138 HA TYR 23 HA TYR 23 10.552 16.676 -2.283 139 HB2 TYR 23 1HB TYR 23 9.515 19.364 -3.235 140 HB3 TYR 23 2HB TYR 23 11.178 18.817 -3.311 141 HD1 TYR 23 2HD TYR 23 7.773 18.303 -4.681 142 HD2 TYR 23 1HD TYR 23 11.927 17.260 -5.011 143 HE1 TYR 23 2HE TYR 23 7.309 17.289 -6.895 144 HE2 TYR 23 1HE TYR 23 11.487 16.206 -7.221 145 HH TYR 23 HH TYR 23 9.938 15.991 -8.958 146 HA PRO 24 HA PRO 24 10.355 18.753 1.882 147 HB2 PRO 24 1HB PRO 24 11.547 16.728 3.280 148 HB3 PRO 24 2HB PRO 24 9.772 16.819 3.013 149 HG2 PRO 24 1HG PRO 24 11.841 15.272 1.468 150 HG3 PRO 24 2HG PRO 24 10.274 14.668 2.104 151 HD2 PRO 24 1HD PRO 24 10.611 15.436 -0.486 152 HD3 PRO 24 2HD PRO 24 9.090 15.746 0.388 153 H ASP 25 H ASP 25 12.638 18.852 3.309 154 HA ASP 25 HA ASP 25 14.969 18.747 1.683 155 HB2 ASP 25 1HB ASP 25 13.455 20.842 0.880 156 HB3 ASP 25 2HB ASP 25 14.229 21.601 2.262 157 H ASP 26 H ASP 26 16.655 20.212 2.863 158 HA ASP 26 HA ASP 26 18.077 20.231 4.572 159 HB2 ASP 26 1HB ASP 26 16.226 21.966 5.204 160 HB3 ASP 26 2HB ASP 26 15.931 20.920 6.577 161 H SER 27 H SER 27 15.454 19.103 6.619 162 HA SER 27 HA SER 27 15.727 16.416 5.967 163 HB2 SER 27 1HB SER 27 16.601 17.260 8.735 164 HB3 SER 27 2HB SER 27 15.537 15.854 8.595 165 HG SER 27 HG SER 27 16.921 14.797 7.400 166 H SER 28 H SER 28 13.494 16.002 5.640 167 HA SER 28 HA SER 28 11.732 16.621 7.862 168 HB2 SER 28 1HB SER 28 10.747 17.518 5.138 169 HB3 SER 28 2HB SER 28 9.994 17.748 6.712 170 HG SER 28 HG SER 28 12.399 18.814 6.847 171 H ALA 29 H ALA 29 11.152 14.573 8.285 172 HA ALA 29 HA ALA 29 9.313 13.350 6.345 173 HB1 ALA 29 1HB ALA 29 11.421 12.016 6.170 174 HB2 ALA 29 2HB ALA 29 11.356 11.713 7.924 175 HB3 ALA 29 3HB ALA 29 10.089 11.082 6.849 176 H GLY 30 H GLY 30 8.058 11.483 7.800 177 HA2 GLY 30 1HA GLY 30 7.918 11.286 10.407 178 HA3 GLY 30 2HA GLY 30 7.113 12.848 10.211 179 H SER 31 H SER 31 5.461 11.327 11.259 180 HA SER 31 HA SER 31 3.842 9.945 9.202 181 HB2 SER 31 1HB SER 31 3.872 9.561 12.208 182 HB3 SER 31 2HB SER 31 2.855 8.685 11.059 183 HG SER 31 HG SER 31 5.676 8.689 10.728 184 H PHE 32 H PHE 32 2.534 11.448 8.396 185 HA PHE 32 HA PHE 32 0.862 13.112 10.215 186 HB2 PHE 32 1HB PHE 32 0.735 14.746 8.334 187 HB3 PHE 32 2HB PHE 32 2.249 14.590 9.146 188 HD1 PHE 32 1HD PHE 32 0.533 13.835 5.820 189 HD2 PHE 32 2HD PHE 32 4.263 14.038 8.053 190 HE1 PHE 32 1HE PHE 32 1.829 13.972 3.739 191 HE2 PHE 32 2HE PHE 32 5.502 14.206 5.928 192 HZ PHE 32 HZ PHE 32 4.283 14.218 3.775 193 H ILE 33 H ILE 33 -0.984 13.972 8.280 194 HA ILE 33 HA ILE 33 -2.372 11.478 7.479 195 HB ILE 33 HB ILE 33 -3.570 13.875 8.915 196 HG12 ILE 33 1HG1 ILE 33 -2.991 11.014 9.810 197 HG13 ILE 33 2HG1 ILE 33 -2.264 12.476 10.441 198 HG21 ILE 33 1HG2 ILE 33 -4.981 11.296 8.056 199 HG22 ILE 33 2HG2 ILE 33 -5.673 12.685 8.912 200 HG23 ILE 33 3HG2 ILE 33 -5.159 12.884 7.261 201 HD11 ILE 33 3HD1 ILE 33 -4.459 13.184 11.358 202 HD12 ILE 33 1HD1 ILE 33 -5.133 11.617 10.853 203 HD13 ILE 33 2HD1 ILE 33 -3.830 11.677 12.044 204 H LEU 34 H LEU 34 -3.757 11.748 5.659 205 HA LEU 34 HA LEU 34 -3.465 14.147 3.979 206 HB2 LEU 34 1HB LEU 34 -2.900 11.260 3.190 207 HB3 LEU 34 2HB LEU 34 -3.174 12.535 2.008 208 HG LEU 34 HG LEU 34 -0.973 12.764 4.084 209 HD11 LEU 34 1HD1 LEU 34 -0.747 10.640 2.641 210 HD12 LEU 34 2HD1 LEU 34 0.599 11.784 2.655 211 HD13 LEU 34 3HD1 LEU 34 -0.502 11.753 1.281 212 HD21 LEU 34 3HD2 LEU 34 0.002 14.341 2.604 213 HD22 LEU 34 1HD2 LEU 34 -1.675 14.811 2.828 214 HD23 LEU 34 2HD2 LEU 34 -1.186 13.978 1.320 215 H ASP 35 H ASP 35 -5.184 13.927 2.154 216 HA ASP 35 HA ASP 35 -7.651 12.859 3.457 217 HB2 ASP 35 1HB ASP 35 -7.097 15.418 1.945 218 HB3 ASP 35 2HB ASP 35 -8.725 14.719 2.028 219 H ILE 36 H ILE 36 -8.247 11.056 2.509 220 HA ILE 36 HA ILE 36 -7.672 10.593 -0.356 221 HB ILE 36 HB ILE 36 -6.945 8.944 2.084 222 HG12 ILE 36 1HG1 ILE 36 -5.091 9.619 -0.226 223 HG13 ILE 36 2HG1 ILE 36 -5.380 10.825 1.022 224 HG21 ILE 36 1HG2 ILE 36 -7.871 7.344 0.471 225 HG22 ILE 36 2HG2 ILE 36 -6.853 8.008 -0.819 226 HG23 ILE 36 3HG2 ILE 36 -6.134 7.150 0.550 227 HD11 ILE 36 3HD1 ILE 36 -4.615 9.326 2.763 228 HD12 ILE 36 1HD1 ILE 36 -4.373 8.029 1.573 229 HD13 ILE 36 2HD1 ILE 36 -3.380 9.500 1.492 230 H THR 37 H THR 37 -9.208 9.293 -1.369 231 HA THR 37 HA THR 37 -11.686 8.666 0.181 232 HB THR 37 HB THR 37 -11.504 8.985 -2.828 233 HG1 THR 37 1HG THR 37 -11.522 11.058 -0.948 234 HG21 THR 37 3HG2 THR 37 -13.750 9.425 -0.861 235 HG22 THR 37 1HG2 THR 37 -13.541 7.958 -1.840 236 HG23 THR 37 2HG2 THR 37 -13.888 9.515 -2.624 237 H SER 38 H SER 38 -12.177 6.458 0.348 238 HA SER 38 HA SER 38 -11.157 4.622 -1.743 239 HB2 SER 38 1HB SER 38 -9.446 4.929 0.005 240 HB3 SER 38 2HB SER 38 -10.622 4.458 1.245 241 HG SER 38 HG SER 38 -10.485 2.484 0.700 242 H TYR 39 H TYR 39 -13.458 4.530 -2.358 243 HA TYR 39 HA TYR 39 -14.893 2.502 -0.875 244 HB2 TYR 39 1HB TYR 39 -16.921 3.781 -0.398 245 HB3 TYR 39 2HB TYR 39 -15.558 4.359 0.519 246 HD1 TYR 39 1HD TYR 39 -17.811 5.107 -2.331 247 HD2 TYR 39 2HD TYR 39 -14.878 6.672 0.414 248 HE1 TYR 39 1HE TYR 39 -18.494 7.427 -2.922 249 HE2 TYR 39 2HE TYR 39 -15.681 8.960 -0.053 250 HH TYR 39 HH TYR 39 -16.896 10.283 -1.622 251 H LYS 40 H LYS 40 -17.212 2.149 -1.994 252 HA LYS 40 HA LYS 40 -17.256 3.204 -4.755 253 HB2 LYS 40 1HB LYS 40 -18.316 1.281 -5.567 254 HB3 LYS 40 2HB LYS 40 -16.712 0.932 -4.900 255 HG2 LYS 40 1HG LYS 40 -17.911 -0.898 -4.375 256 HG3 LYS 40 2HG LYS 40 -17.988 0.004 -2.872 257 HD2 LYS 40 1HD LYS 40 -20.323 0.771 -3.636 258 HD3 LYS 40 2HD LYS 40 -20.077 -0.218 -5.090 259 HE2 LYS 40 1HE LYS 40 -21.161 -1.800 -3.901 260 HE3 LYS 40 2HE LYS 40 -19.530 -2.098 -3.285 261 HZ1 LYS 40 3HZ LYS 40 -21.648 -0.489 -1.977 262 HZ2 LYS 40 1HZ LYS 40 -20.102 -0.572 -1.429 263 HZ3 LYS 40 2HZ LYS 40 -21.048 -1.911 -1.454 264 H LYS 41 H LYS 41 -19.304 3.915 -5.417 265 HA LYS 41 HA LYS 41 -21.325 4.350 -3.272 266 HB2 LYS 41 1HB LYS 41 -20.020 6.316 -4.194 267 HB3 LYS 41 2HB LYS 41 -20.751 6.014 -5.774 268 HG2 LYS 41 1HG LYS 41 -22.987 6.452 -4.844 269 HG3 LYS 41 2HG LYS 41 -22.307 6.594 -3.225 270 HD2 LYS 41 1HD LYS 41 -20.822 8.518 -4.294 271 HD3 LYS 41 2HD LYS 41 -22.082 8.509 -5.550 272 HE2 LYS 41 1HE LYS 41 -23.792 8.706 -3.686 273 HE3 LYS 41 2HE LYS 41 -22.468 8.870 -2.544 274 HZ1 LYS 41 3HZ LYS 41 -21.829 10.949 -3.682 275 HZ2 LYS 41 1HZ LYS 41 -23.392 11.002 -3.192 276 HZ3 LYS 41 2HZ LYS 41 -23.066 10.750 -4.757 277 H THR 42 H THR 42 -23.148 3.396 -3.570 278 HA THR 42 HA THR 42 -24.660 3.336 -5.896 279 HB THR 42 HB THR 42 -23.112 1.705 -6.829 280 HG1 THR 42 1HG THR 42 -24.543 0.148 -7.402 281 HG21 THR 42 3HG2 THR 42 -23.827 -0.136 -4.518 282 HG22 THR 42 1HG2 THR 42 -22.268 0.685 -4.769 283 HG23 THR 42 2HG2 THR 42 -22.809 -0.533 -5.924 284 H GLY 43 H GLY 43 -26.296 1.117 -5.361 285 HA2 GLY 43 1HA GLY 43 -28.121 0.577 -4.093 286 HA3 GLY 43 2HA GLY 43 -26.966 0.460 -2.752 287 H ASN 44 H ASN 44 -26.989 2.018 -1.203 288 HA ASN 44 HA ASN 44 -28.090 4.653 -1.710 289 HB2 ASN 44 1HB ASN 44 -30.032 3.094 -0.931 290 HB3 ASN 44 2HB ASN 44 -29.281 3.194 0.669 291 HD21 ASN 44 1HD2 ASN 44 -31.839 4.104 0.289 292 HD22 ASN 44 2HD2 ASN 44 -31.937 5.856 0.179 293 H SER 45 H SER 45 -25.415 3.274 -0.962 294 HA SER 45 HA SER 45 -24.693 5.036 1.202 295 HB2 SER 45 1HB SER 45 -24.436 2.045 1.729 296 HB3 SER 45 2HB SER 45 -24.037 3.384 2.818 297 HG SER 45 HG SER 45 -26.469 3.841 2.372 298 H THR 46 H THR 46 -22.364 4.628 1.840 299 HA THR 46 HA THR 46 -20.741 3.448 -0.347 300 HB THR 46 HB THR 46 -19.109 5.390 0.345 301 HG1 THR 46 1HG THR 46 -20.295 6.234 2.087 302 HG21 THR 46 3HG2 THR 46 -20.117 5.366 -1.834 303 HG22 THR 46 1HG2 THR 46 -20.285 6.995 -1.194 304 HG23 THR 46 2HG2 THR 46 -21.687 5.903 -1.195 305 H LYS 47 H LYS 47 -19.848 1.630 0.676 306 HA LYS 47 HA LYS 47 -19.035 1.767 3.543 307 HB2 LYS 47 1HB LYS 47 -20.112 -0.379 2.590 308 HB3 LYS 47 2HB LYS 47 -18.613 -0.599 1.673 309 HG2 LYS 47 1HG LYS 47 -17.380 -0.353 3.943 310 HG3 LYS 47 2HG LYS 47 -18.961 -0.461 4.661 311 HD2 LYS 47 1HD LYS 47 -18.211 -2.644 4.801 312 HD3 LYS 47 2HD LYS 47 -19.144 -2.733 3.299 313 HE2 LYS 47 1HE LYS 47 -17.106 -2.542 1.960 314 HE3 LYS 47 2HE LYS 47 -16.163 -2.070 3.379 315 HZ1 LYS 47 3HZ LYS 47 -15.738 -4.327 2.811 316 HZ2 LYS 47 1HZ LYS 47 -17.324 -4.755 2.957 317 HZ3 LYS 47 2HZ LYS 47 -16.461 -4.280 4.270 318 H ALA 48 H ALA 48 -16.786 1.915 4.057 319 HA ALA 48 HA ALA 48 -15.027 2.780 1.889 320 HB1 ALA 48 1HB ALA 48 -13.344 2.932 3.598 321 HB2 ALA 48 2HB ALA 48 -14.821 3.752 4.142 322 HB3 ALA 48 3HB ALA 48 -14.399 2.139 4.789 323 H LEU 49 H LEU 49 -13.275 1.697 1.098 324 HA LEU 49 HA LEU 49 -12.975 -1.216 1.713 325 HB2 LEU 49 1HB LEU 49 -12.017 0.318 -0.734 326 HB3 LEU 49 2HB LEU 49 -11.604 -1.319 -0.337 327 HG LEU 49 HG LEU 49 -14.405 -0.304 -0.952 328 HD11 LEU 49 1HD1 LEU 49 -13.067 -0.380 -2.933 329 HD12 LEU 49 2HD1 LEU 49 -14.205 -1.717 -2.969 330 HD13 LEU 49 3HD1 LEU 49 -12.505 -2.033 -2.562 331 HD21 LEU 49 3HD2 LEU 49 -13.425 -3.106 -0.221 332 HD22 LEU 49 1HD2 LEU 49 -14.974 -2.785 -1.005 333 HD23 LEU 49 2HD2 LEU 49 -14.663 -2.139 0.605 334 H SER 50 H SER 50 -11.182 -1.768 2.760 335 HA SER 50 HA SER 50 -9.200 0.156 3.635 336 HB2 SER 50 1HB SER 50 -9.178 -2.882 3.791 337 HB3 SER 50 2HB SER 50 -8.249 -1.757 4.792 338 HG SER 50 HG SER 50 -11.110 -1.850 4.711 339 H TRP 51 H TRP 51 -6.836 -0.371 3.233 340 HA TRP 51 HA TRP 51 -6.202 -1.709 0.696 341 HB2 TRP 51 1HB TRP 51 -5.254 0.145 -0.398 342 HB3 TRP 51 2HB TRP 51 -6.820 0.623 0.059 343 HD1 TRP 51 HD TRP 51 -3.207 1.492 0.601 344 HE1 TRP 51 1HE TRP 51 -3.070 3.871 1.559 345 HE3 TRP 51 3HE TRP 51 -8.147 2.235 1.763 346 HZ2 TRP 51 2HZ TRP 51 -4.826 5.821 2.685 347 HZ3 TRP 51 3HZ TRP 51 -8.891 4.433 2.693 348 HH2 TRP 51 HH TRP 51 -7.247 6.214 3.142 349 H ASN 52 H ASN 52 -3.721 -1.280 0.244 350 HA ASN 52 HA ASN 52 -2.103 -1.179 2.698 351 HB2 ASN 52 1HB ASN 52 -1.131 -3.244 2.516 352 HB3 ASN 52 2HB ASN 52 -2.777 -3.645 2.060 353 HD21 ASN 52 1HD2 ASN 52 -3.137 -3.495 -0.532 354 HD22 ASN 52 2HD2 ASN 52 -1.796 -4.142 -1.474 355 H ALA 53 H ALA 53 0.323 -1.306 1.999 356 HA ALA 53 HA ALA 53 0.899 -0.269 -0.701 357 HB1 ALA 53 1HB ALA 53 2.083 0.835 1.883 358 HB2 ALA 53 2HB ALA 53 2.610 1.241 0.240 359 HB3 ALA 53 3HB ALA 53 0.999 1.716 0.776 360 H SER 54 H SER 54 3.134 -0.746 -1.334 361 HA SER 54 HA SER 54 4.824 -2.068 0.585 362 HB2 SER 54 1HB SER 54 5.260 -4.084 -0.824 363 HB3 SER 54 2HB SER 54 3.651 -4.041 -0.104 364 HG SER 54 HG SER 54 2.887 -3.207 -2.163 365 H GLY 55 H GLY 55 6.973 -1.635 0.139 366 HA2 GLY 55 1HA GLY 55 8.273 -1.427 -2.237 367 HA3 GLY 55 2HA GLY 55 7.602 0.191 -2.002 368 H ASP 56 H ASP 56 9.321 1.346 -1.424 369 HA ASP 56 HA ASP 56 11.683 0.843 -0.123 370 HB2 ASP 56 1HB ASP 56 9.854 3.196 -0.513 371 HB3 ASP 56 2HB ASP 56 11.115 3.380 0.664 372 H SER 57 H SER 57 12.301 0.442 1.994 373 HA SER 57 HA SER 57 10.259 -0.043 3.957 374 HB2 SER 57 1HB SER 57 13.254 -0.354 4.258 375 HB3 SER 57 2HB SER 57 11.977 -1.100 5.237 376 HG SER 57 HG SER 57 12.566 -2.600 3.651 377 H TRP 58 H TRP 58 10.628 2.804 3.320 378 HA TRP 58 HA TRP 58 10.755 3.751 6.131 379 HB2 TRP 58 1HB TRP 58 11.764 5.885 5.266 380 HB3 TRP 58 2HB TRP 58 12.819 4.503 5.256 381 HD1 TRP 58 HD TRP 58 13.130 3.282 2.803 382 HE1 TRP 58 1HE TRP 58 13.441 4.350 0.480 383 HE3 TRP 58 3HE TRP 58 10.951 7.820 3.695 384 HZ2 TRP 58 2HZ TRP 58 13.269 7.015 -0.631 385 HZ3 TRP 58 3HZ TRP 58 11.033 9.613 2.001 386 HH2 TRP 58 HH TRP 58 12.211 9.253 -0.161 387 H ILE 59 H ILE 59 8.502 2.886 4.283 388 HA ILE 59 HA ILE 59 6.944 5.416 4.253 389 HB ILE 59 HB ILE 59 7.456 3.679 1.797 390 HG12 ILE 59 1HG1 ILE 59 8.285 6.532 2.453 391 HG13 ILE 59 2HG1 ILE 59 9.330 5.147 2.182 392 HG21 ILE 59 1HG2 ILE 59 5.551 6.024 2.206 393 HG22 ILE 59 2HG2 ILE 59 5.921 5.310 0.629 394 HG23 ILE 59 3HG2 ILE 59 5.113 4.352 1.852 395 HD11 ILE 59 3HD1 ILE 59 7.677 6.471 0.023 396 HD12 ILE 59 1HD1 ILE 59 9.413 6.639 0.316 397 HD13 ILE 59 2HD1 ILE 59 8.756 5.075 -0.173 398 H HIS 60 H HIS 60 5.148 4.784 5.459 399 HA HIS 60 HA HIS 60 4.044 2.032 5.112 400 HB2 HIS 60 1HB HIS 60 4.016 3.568 7.734 401 HB3 HIS 60 2HB HIS 60 3.427 1.959 7.433 402 HD1 HIS 60 1HD HIS 60 4.923 0.288 8.583 403 HD2 HIS 60 2HD HIS 60 6.991 3.666 7.159 404 HE1 HIS 60 1HE HIS 60 7.392 -0.074 9.142 405 H VAL 61 H VAL 61 1.615 2.010 5.777 406 HA VAL 61 HA VAL 61 0.343 4.631 5.567 407 HB VAL 61 HB VAL 61 0.810 3.836 3.239 408 HG11 VAL 61 1HG1 VAL 61 0.456 1.404 3.533 409 HG12 VAL 61 2HG1 VAL 61 -1.275 1.697 3.799 410 HG13 VAL 61 3HG1 VAL 61 -0.560 2.081 2.242 411 HG21 VAL 61 3HG2 VAL 61 -2.157 4.055 3.840 412 HG22 VAL 61 1HG2 VAL 61 -1.012 5.413 3.785 413 HG23 VAL 61 2HG2 VAL 61 -1.298 4.445 2.330 414 H ASN 62 H ASN 62 -1.814 4.653 6.333 415 HA ASN 62 HA ASN 62 -3.222 2.210 6.882 416 HB2 ASN 62 1HB ASN 62 -1.965 3.565 8.974 417 HB3 ASN 62 2HB ASN 62 -3.510 4.423 8.894 418 HD21 ASN 62 1HD2 ASN 62 -1.979 1.221 8.945 419 HD22 ASN 62 2HD2 ASN 62 -3.355 0.392 9.614 420 H GLY 63 H GLY 63 -5.594 2.842 7.287 421 HA2 GLY 63 1HA GLY 63 -6.574 4.260 5.122 422 HA3 GLY 63 2HA GLY 63 -7.506 3.872 6.563 423 H SER 64 H SER 64 -5.917 5.528 8.385 424 HA SER 64 HA SER 64 -6.659 8.265 7.441 425 HB2 SER 64 1HB SER 64 -6.652 7.561 10.343 426 HB3 SER 64 2HB SER 64 -7.524 8.808 9.456 427 HG SER 64 HG SER 64 -9.122 7.460 9.239 428 H SER 65 H SER 65 -3.832 6.724 7.655 429 HA SER 65 HA SER 65 -2.439 8.950 8.945 430 HB2 SER 65 1HB SER 65 -3.045 7.772 10.904 431 HB3 SER 65 2HB SER 65 -2.678 6.196 10.187 432 HG SER 65 HG SER 65 -0.657 6.423 10.655 433 H VAL 66 H VAL 66 -0.328 9.068 8.327 434 HA VAL 66 HA VAL 66 0.526 7.271 6.122 435 HB VAL 66 HB VAL 66 1.051 10.249 6.558 436 HG11 VAL 66 1HG1 VAL 66 2.626 9.141 5.045 437 HG12 VAL 66 2HG1 VAL 66 1.270 8.533 4.062 438 HG13 VAL 66 3HG1 VAL 66 1.585 10.275 4.184 439 HG21 VAL 66 3HG2 VAL 66 -1.429 9.934 6.246 440 HG22 VAL 66 1HG2 VAL 66 -0.633 10.837 4.991 441 HG23 VAL 66 2HG2 VAL 66 -1.089 9.135 4.697 442 H SER 67 H SER 67 2.877 6.846 6.171 443 HA SER 67 HA SER 67 4.410 8.329 8.185 444 HB2 SER 67 1HB SER 67 4.991 5.414 7.853 445 HB3 SER 67 2HB SER 67 5.434 6.512 9.155 446 HG SER 67 HG SER 67 2.749 5.685 8.631 447 H TYR 68 H TYR 68 6.218 9.136 7.252 448 HA TYR 68 HA TYR 68 7.582 7.328 5.412 449 HB2 TYR 68 1HB TYR 68 8.005 10.274 5.057 450 HB3 TYR 68 2HB TYR 68 8.405 8.965 3.983 451 HD1 TYR 68 1HD TYR 68 6.598 7.902 2.564 452 HD2 TYR 68 2HD TYR 68 5.831 11.383 4.997 453 HE1 TYR 68 1HE TYR 68 4.462 8.211 1.427 454 HE2 TYR 68 2HE TYR 68 3.714 11.745 3.765 455 HH TYR 68 HH TYR 68 2.587 11.170 1.710 456 H ASP 69 H ASP 69 9.744 7.111 6.076 457 HA ASP 69 HA ASP 69 10.593 8.569 8.543 458 HB2 ASP 69 1HB ASP 69 10.483 5.891 8.393 459 HB3 ASP 69 2HB ASP 69 12.038 6.105 7.601 460 H GLU 70 H GLU 70 13.337 8.288 8.246 461 HA GLU 70 HA GLU 70 13.862 9.648 5.636 462 HB2 GLU 70 1HB GLU 70 14.825 10.215 8.391 463 HB3 GLU 70 2HB GLU 70 16.064 10.251 7.117 464 HG2 GLU 70 1HG GLU 70 14.682 11.798 5.795 465 HG3 GLU 70 2HG GLU 70 13.435 11.743 7.028 466 H ASN 71 H ASN 71 16.168 9.218 5.008 467 HA ASN 71 HA ASN 71 16.737 6.315 4.900 468 HB2 ASN 71 1HB ASN 71 18.585 7.108 3.360 469 HB3 ASN 71 2HB ASN 71 16.949 7.436 2.796 470 HD21 ASN 71 1HD2 ASN 71 17.982 9.092 1.327 471 HD22 ASN 71 2HD2 ASN 71 18.267 10.651 2.006 472 HA PRO 72 HA PRO 72 19.812 6.795 8.063 473 HB2 PRO 72 1HB PRO 72 21.724 4.941 7.339 474 HB3 PRO 72 2HB PRO 72 20.138 4.523 8.038 475 HG2 PRO 72 1HG PRO 72 20.979 4.456 5.138 476 HG3 PRO 72 2HG PRO 72 19.943 3.296 6.034 477 HD2 PRO 72 1HD PRO 72 18.924 5.217 4.405 478 HD3 PRO 72 2HD PRO 72 18.066 4.602 5.842 479 H ALA 73 H ALA 73 21.112 6.685 4.693 480 HA ALA 73 HA ALA 73 23.517 8.139 5.608 481 HB1 ALA 73 1HB ALA 73 22.858 6.968 2.866 482 HB2 ALA 73 2HB ALA 73 24.421 7.562 3.437 483 HB3 ALA 73 3HB ALA 73 23.717 6.097 4.161 484 H LYS 74 H LYS 74 24.361 9.855 4.092 485 HA LYS 74 HA LYS 74 22.273 11.828 3.925 486 HB2 LYS 74 1HB LYS 74 24.012 13.455 3.968 487 HB3 LYS 74 2HB LYS 74 24.178 12.257 5.228 488 HG2 LYS 74 1HG LYS 74 26.319 12.102 4.644 489 HG3 LYS 74 2HG LYS 74 25.747 11.133 3.271 490 HD2 LYS 74 1HD LYS 74 25.521 13.320 1.980 491 HD3 LYS 74 2HD LYS 74 26.382 14.106 3.322 492 HE2 LYS 74 1HE LYS 74 28.295 12.537 2.983 493 HE3 LYS 74 2HE LYS 74 27.408 11.757 1.664 494 HZ1 LYS 74 3HZ LYS 74 28.382 14.548 1.696 495 HZ2 LYS 74 1HZ LYS 74 27.380 13.957 0.573 496 HZ3 LYS 74 2HZ LYS 74 28.867 13.285 0.693 497 H GLU 75 H GLU 75 23.122 9.658 1.683 498 HA GLU 75 HA GLU 75 23.405 11.447 -0.579 499 HB2 GLU 75 1HB GLU 75 22.736 8.488 -0.424 500 HB3 GLU 75 2HB GLU 75 22.681 9.397 -1.930 501 HG2 GLU 75 1HG GLU 75 25.095 10.117 -1.443 502 HG3 GLU 75 2HG GLU 75 25.110 8.832 -0.239 503 H ARG 76 H ARG 76 21.767 11.843 -2.155 504 HA ARG 76 HA ARG 76 19.124 12.344 -1.112 505 HB2 ARG 76 1HB ARG 76 20.717 12.998 -3.484 506 HB3 ARG 76 2HB ARG 76 19.186 12.320 -3.995 507 HG2 ARG 76 1HG ARG 76 18.141 13.975 -2.279 508 HG3 ARG 76 2HG ARG 76 19.708 14.759 -2.267 509 HD2 ARG 76 1HD ARG 76 19.442 15.418 -4.576 510 HD3 ARG 76 2HD ARG 76 18.109 14.262 -4.817 511 HE ARG 76 HE ARG 76 16.653 15.796 -4.181 512 HH11 ARG 76 1HH1 ARG 76 19.731 16.970 -2.671 513 HH12 ARG 76 2HH1 ARG 76 18.826 18.032 -1.620 514 HH21 ARG 76 1HH2 ARG 76 15.666 17.476 -2.929 515 HH22 ARG 76 2HH2 ARG 76 16.659 18.279 -1.728 516 H ARG 77 H ARG 77 17.231 11.148 -1.400 517 HA ARG 77 HA ARG 77 17.414 8.593 -2.939 518 HB2 ARG 77 1HB ARG 77 16.294 9.028 -0.134 519 HB3 ARG 77 2HB ARG 77 15.829 7.655 -1.124 520 HG2 ARG 77 1HG ARG 77 18.707 8.233 -0.304 521 HG3 ARG 77 2HG ARG 77 17.599 7.168 0.552 522 HD2 ARG 77 1HD ARG 77 18.482 5.527 -0.706 523 HD3 ARG 77 2HD ARG 77 17.355 6.101 -1.932 524 HE ARG 77 HE ARG 77 19.097 7.036 -3.146 525 HH11 ARG 77 1HH1 ARG 77 20.401 6.041 -0.004 526 HH12 ARG 77 2HH1 ARG 77 22.046 6.002 -0.537 527 HH21 ARG 77 1HH2 ARG 77 21.153 7.262 -3.756 528 HH22 ARG 77 2HH2 ARG 77 22.525 7.068 -2.664 529 H THR 78 H THR 78 15.481 7.916 -3.904 530 HA THR 78 HA THR 78 13.239 9.848 -3.836 531 HB THR 78 HB THR 78 14.233 8.265 -6.222 532 HG1 THR 78 1HG THR 78 15.526 10.035 -5.847 533 HG21 THR 78 3HG2 THR 78 11.760 8.563 -6.214 534 HG22 THR 78 1HG2 THR 78 12.531 9.573 -7.441 535 HG23 THR 78 2HG2 THR 78 11.968 10.300 -5.917 536 H GLY 79 H GLY 79 11.826 8.861 -2.499 537 HA2 GLY 79 1HA GLY 79 11.598 5.953 -2.250 538 HA3 GLY 79 2HA GLY 79 10.567 7.189 -1.495 539 H LEU 80 H LEU 80 10.059 4.674 -3.304 540 HA LEU 80 HA LEU 80 7.788 5.954 -4.661 541 HB2 LEU 80 1HB LEU 80 9.696 5.952 -6.352 542 HB3 LEU 80 2HB LEU 80 9.719 4.189 -6.200 543 HG LEU 80 HG LEU 80 7.317 4.145 -6.980 544 HD11 LEU 80 1HD1 LEU 80 6.626 6.455 -6.461 545 HD12 LEU 80 2HD1 LEU 80 6.443 6.136 -8.185 546 HD13 LEU 80 3HD1 LEU 80 7.825 7.093 -7.603 547 HD21 LEU 80 3HD2 LEU 80 9.220 3.728 -8.505 548 HD22 LEU 80 1HD2 LEU 80 9.296 5.455 -8.892 549 HD23 LEU 80 2HD2 LEU 80 7.858 4.502 -9.339 550 H VAL 81 H VAL 81 6.224 4.738 -3.529 551 HA VAL 81 HA VAL 81 6.657 1.786 -3.552 552 HB VAL 81 HB VAL 81 5.383 1.502 -1.619 553 HG11 VAL 81 1HG1 VAL 81 6.737 2.492 0.021 554 HG12 VAL 81 2HG1 VAL 81 7.764 2.414 -1.422 555 HG13 VAL 81 3HG1 VAL 81 7.022 3.945 -0.966 556 HG21 VAL 81 3HG2 VAL 81 4.651 4.448 -1.663 557 HG22 VAL 81 1HG2 VAL 81 3.563 3.048 -1.865 558 HG23 VAL 81 2HG2 VAL 81 4.343 3.324 -0.318 559 H THR 82 H THR 82 4.590 0.484 -3.653 560 HA THR 82 HA THR 82 2.635 1.778 -5.486 561 HB THR 82 HB THR 82 3.266 -1.197 -5.323 562 HG1 THR 82 1HG THR 82 4.966 0.334 -6.206 563 HG21 THR 82 3HG2 THR 82 1.039 -0.763 -6.231 564 HG22 THR 82 1HG2 THR 82 2.101 -1.133 -7.594 565 HG23 THR 82 2HG2 THR 82 1.643 0.556 -7.246 566 H LEU 83 H LEU 83 0.399 1.004 -5.060 567 HA LEU 83 HA LEU 83 -0.172 0.046 -2.355 568 HB2 LEU 83 1HB LEU 83 -1.176 2.635 -3.628 569 HB3 LEU 83 2HB LEU 83 -1.849 1.877 -2.185 570 HG LEU 83 HG LEU 83 0.761 2.087 -1.460 571 HD11 LEU 83 1HD1 LEU 83 1.441 3.355 -3.503 572 HD12 LEU 83 2HD1 LEU 83 1.637 4.293 -2.020 573 HD13 LEU 83 3HD1 LEU 83 0.271 4.612 -3.082 574 HD21 LEU 83 3HD2 LEU 83 -1.245 2.869 -0.192 575 HD22 LEU 83 1HD2 LEU 83 -1.293 4.321 -1.220 576 HD23 LEU 83 2HD2 LEU 83 0.079 4.039 -0.125 577 H LYS 84 H LYS 84 -2.470 -0.723 -2.217 578 HA LYS 84 HA LYS 84 -3.982 -0.768 -4.688 579 HB2 LYS 84 1HB LYS 84 -2.313 -2.775 -4.836 580 HB3 LYS 84 2HB LYS 84 -3.258 -3.484 -3.523 581 HG2 LYS 84 1HG LYS 84 -5.206 -2.677 -5.393 582 HG3 LYS 84 2HG LYS 84 -3.882 -3.206 -6.412 583 HD2 LYS 84 1HD LYS 84 -3.923 -5.421 -5.355 584 HD3 LYS 84 2HD LYS 84 -5.076 -4.849 -4.138 585 HE2 LYS 84 1HE LYS 84 -6.250 -4.158 -6.611 586 HE3 LYS 84 2HE LYS 84 -5.562 -5.743 -6.909 587 HZ1 LYS 84 3HZ LYS 84 -6.816 -6.438 -4.820 588 HZ2 LYS 84 1HZ LYS 84 -7.720 -6.080 -6.113 589 HZ3 LYS 84 2HZ LYS 84 -7.557 -4.981 -4.873 590 H GLN 85 H GLN 85 -6.121 -1.212 -4.340 591 HA GLN 85 HA GLN 85 -7.235 -1.027 -1.660 592 HB2 GLN 85 1HB GLN 85 -8.172 0.394 -3.232 593 HB3 GLN 85 2HB GLN 85 -8.187 -0.767 -4.526 594 HG2 GLN 85 1HG GLN 85 -10.179 -1.754 -3.773 595 HG3 GLN 85 2HG GLN 85 -10.123 -0.984 -2.211 596 HE21 GLN 85 1HE2 GLN 85 -10.054 1.540 -2.334 597 HE22 GLN 85 2HE2 GLN 85 -11.112 2.293 -3.520 598 H ASP 86 H ASP 86 -8.893 -2.388 -1.004 599 HA ASP 86 HA ASP 86 -8.778 -5.171 -1.069 600 HB2 ASP 86 1HB ASP 86 -10.072 -3.766 0.491 601 HB3 ASP 86 2HB ASP 86 -11.197 -3.346 -0.788 602 H GLU 87 H GLU 87 -11.747 -3.891 -2.582 603 HA GLU 87 HA GLU 87 -11.722 -6.168 -4.356 604 HB2 GLU 87 1HB GLU 87 -13.757 -3.915 -4.074 605 HB3 GLU 87 2HB GLU 87 -13.996 -5.448 -4.924 606 HG2 GLU 87 1HG GLU 87 -13.487 -6.630 -2.714 607 HG3 GLU 87 2HG GLU 87 -13.605 -5.031 -1.942 608 H SER 88 H SER 88 -10.419 -3.185 -4.750 609 HA SER 88 HA SER 88 -10.295 -3.354 -7.623 610 HB2 SER 88 1HB SER 88 -12.028 -1.452 -6.494 611 HB3 SER 88 2HB SER 88 -10.624 -0.542 -7.051 612 HG SER 88 HG SER 88 -10.778 -1.740 -9.044 613 H GLY 89 H GLY 89 -8.824 -0.498 -7.378 614 HA2 GLY 89 1HA GLY 89 -6.296 -0.975 -6.396 615 HA3 GLY 89 2HA GLY 89 -6.503 -2.284 -7.566 616 H LYS 90 H LYS 90 -7.665 1.092 -7.794 617 HA LYS 90 HA LYS 90 -5.927 1.805 -10.021 618 HB2 LYS 90 1HB LYS 90 -7.889 3.109 -8.229 619 HB3 LYS 90 2HB LYS 90 -6.423 4.045 -8.403 620 HG2 LYS 90 1HG LYS 90 -7.595 3.057 -10.986 621 HG3 LYS 90 2HG LYS 90 -8.610 4.141 -10.045 622 HD2 LYS 90 1HD LYS 90 -7.446 5.690 -11.292 623 HD3 LYS 90 2HD LYS 90 -6.524 5.658 -9.816 624 HE2 LYS 90 1HE LYS 90 -4.910 5.662 -11.488 625 HE3 LYS 90 2HE LYS 90 -4.969 3.961 -11.008 626 HZ1 LYS 90 3HZ LYS 90 -4.975 4.391 -13.451 627 HZ2 LYS 90 1HZ LYS 90 -6.448 5.101 -13.309 628 HZ3 LYS 90 2HZ LYS 90 -6.256 3.497 -12.965 629 H THR 91 H THR 91 -3.791 1.382 -9.619 630 HA THR 91 HA THR 91 -2.732 1.373 -6.896 631 HB THR 91 HB THR 91 -0.585 0.931 -7.999 632 HG1 THR 91 1HG THR 91 -0.611 2.024 -9.805 633 HG21 THR 91 3HG2 THR 91 -1.096 -1.211 -9.020 634 HG22 THR 91 1HG2 THR 91 -2.783 -0.749 -9.300 635 HG23 THR 91 2HG2 THR 91 -2.185 -0.971 -7.642 636 H LEU 92 H LEU 92 -1.709 3.123 -5.903 637 HA LEU 92 HA LEU 92 -2.014 5.743 -7.332 638 HB2 LEU 92 1HB LEU 92 -1.330 5.151 -4.436 639 HB3 LEU 92 2HB LEU 92 -1.445 6.762 -5.145 640 HG LEU 92 HG LEU 92 -3.730 4.763 -4.902 641 HD11 LEU 92 1HD1 LEU 92 -3.337 7.369 -3.387 642 HD12 LEU 92 2HD1 LEU 92 -2.858 5.785 -2.767 643 HD13 LEU 92 3HD1 LEU 92 -4.565 6.117 -3.119 644 HD21 LEU 92 3HD2 LEU 92 -5.248 6.506 -5.514 645 HD22 LEU 92 1HD2 LEU 92 -4.094 6.276 -6.829 646 HD23 LEU 92 2HD2 LEU 92 -3.914 7.670 -5.713 647 H SER 93 H SER 93 -0.175 7.192 -7.494 648 HA SER 93 HA SER 93 2.481 5.843 -7.194 649 HB2 SER 93 1HB SER 93 2.385 8.697 -7.979 650 HB3 SER 93 2HB SER 93 3.471 7.420 -8.482 651 HG SER 93 HG SER 93 2.079 8.197 -10.152 652 H LEU 94 H LEU 94 3.934 6.720 -5.608 653 HA LEU 94 HA LEU 94 3.140 9.097 -4.125 654 HB2 LEU 94 1HB LEU 94 2.185 6.959 -2.971 655 HB3 LEU 94 2HB LEU 94 3.859 6.574 -2.576 656 HG LEU 94 HG LEU 94 2.349 9.123 -1.836 657 HD11 LEU 94 1HD1 LEU 94 1.579 7.065 -0.687 658 HD12 LEU 94 2HD1 LEU 94 2.366 8.185 0.422 659 HD13 LEU 94 3HD1 LEU 94 3.250 6.753 -0.149 660 HD21 LEU 94 3HD2 LEU 94 4.238 9.642 -0.352 661 HD22 LEU 94 1HD2 LEU 94 4.673 9.701 -2.025 662 HD23 LEU 94 2HD2 LEU 94 5.162 8.280 -1.034 663 H LYS 95 H LYS 95 4.974 10.260 -4.432 664 HA LYS 95 HA LYS 95 7.597 8.845 -4.467 665 HB2 LYS 95 1HB LYS 95 6.827 9.599 -6.734 666 HB3 LYS 95 2HB LYS 95 6.709 11.246 -6.114 667 HG2 LYS 95 1HG LYS 95 9.244 11.012 -5.532 668 HG3 LYS 95 2HG LYS 95 9.200 9.546 -6.509 669 HD2 LYS 95 1HD LYS 95 8.780 12.433 -7.388 670 HD3 LYS 95 2HD LYS 95 10.036 11.312 -7.859 671 HE2 LYS 95 1HE LYS 95 8.820 10.979 -9.701 672 HE3 LYS 95 2HE LYS 95 7.866 9.898 -8.704 673 HZ1 LYS 95 3HZ LYS 95 6.353 11.869 -8.303 674 HZ2 LYS 95 1HZ LYS 95 6.449 11.408 -9.894 675 HZ3 LYS 95 2HZ LYS 95 7.247 12.714 -9.379 676 H ILE 96 H ILE 96 9.194 9.784 -3.214 677 HA ILE 96 HA ILE 96 8.721 12.538 -2.203 678 HB ILE 96 HB ILE 96 9.977 10.337 -0.540 679 HG12 ILE 96 1HG1 ILE 96 7.737 11.207 0.902 680 HG13 ILE 96 2HG1 ILE 96 7.111 11.091 -0.732 681 HG21 ILE 96 1HG2 ILE 96 9.930 12.002 1.265 682 HG22 ILE 96 2HG2 ILE 96 10.815 12.637 -0.121 683 HG23 ILE 96 3HG2 ILE 96 9.149 13.176 0.193 684 HD11 ILE 96 3HD1 ILE 96 6.828 8.958 0.366 685 HD12 ILE 96 1HD1 ILE 96 8.109 8.741 -0.837 686 HD13 ILE 96 2HD1 ILE 96 8.515 8.936 0.896 687 H VAL 97 H VAL 97 10.450 13.779 -2.803 688 HA VAL 97 HA VAL 97 13.069 12.446 -3.394 689 HB VAL 97 HB VAL 97 11.797 14.965 -4.514 690 HG11 VAL 97 1HG1 VAL 97 13.809 15.415 -5.775 691 HG12 VAL 97 2HG1 VAL 97 14.285 15.301 -4.083 692 HG13 VAL 97 3HG1 VAL 97 14.594 13.943 -5.180 693 HG21 VAL 97 3HG2 VAL 97 12.035 13.905 -6.671 694 HG22 VAL 97 1HG2 VAL 97 12.859 12.509 -5.943 695 HG23 VAL 97 2HG2 VAL 97 11.125 12.822 -5.610 696 H GLN 98 H GLN 98 13.866 12.493 -1.259 697 HA GLN 98 HA GLN 98 13.852 15.143 0.071 698 HB2 GLN 98 1HB GLN 98 13.711 14.035 2.129 699 HB3 GLN 98 2HB GLN 98 12.609 13.189 1.101 700 HG2 GLN 98 1HG GLN 98 13.522 11.347 1.911 701 HG3 GLN 98 2HG GLN 98 14.802 11.600 0.732 702 HE21 GLN 98 1HE2 GLN 98 15.211 10.148 3.047 703 HE22 GLN 98 2HE2 GLN 98 16.363 11.063 4.072 704 HA PRO 99 HA PRO 99 18.436 14.972 -0.068 705 HB2 PRO 99 1HB PRO 99 19.110 15.812 2.478 706 HB3 PRO 99 2HB PRO 99 18.553 16.883 1.168 707 HG2 PRO 99 1HG PRO 99 16.911 15.658 3.394 708 HG3 PRO 99 2HG PRO 99 16.956 17.365 2.851 709 HD2 PRO 99 1HD PRO 99 15.019 15.718 2.012 710 HD3 PRO 99 2HD PRO 99 15.751 16.872 0.876 711 H GLY 100 H GLY 100 20.106 14.183 2.104 712 HA2 GLY 100 1HA GLY 100 18.727 11.938 3.138 713 HA3 GLY 100 2HA GLY 100 20.391 11.564 2.678 714 H LYS 101 H LYS 101 19.758 11.157 5.144 715 HA LYS 101 HA LYS 101 19.991 13.574 6.805 716 HB2 LYS 101 1HB LYS 101 18.090 11.852 6.872 717 HB3 LYS 101 2HB LYS 101 19.271 10.708 7.487 718 HG2 LYS 101 1HG LYS 101 19.547 12.941 9.193 719 HG3 LYS 101 2HG LYS 101 17.842 12.955 8.837 720 HD2 LYS 101 1HD LYS 101 19.301 10.447 9.760 721 HD3 LYS 101 2HD LYS 101 18.735 11.708 10.868 722 HE2 LYS 101 1HE LYS 101 16.433 11.424 9.740 723 HE3 LYS 101 2HE LYS 101 17.082 9.894 9.112 724 HZ1 LYS 101 3HZ LYS 101 17.522 9.257 11.448 725 HZ2 LYS 101 1HZ LYS 101 15.926 9.594 11.227 726 HZ3 LYS 101 2HZ LYS 101 16.886 10.688 11.953 727 H THR 102 H THR 102 21.313 13.506 8.769 728 HA THR 102 HA THR 102 22.904 11.377 9.572 729 HB THR 102 HB THR 102 25.004 13.254 9.412 730 HG1 THR 102 1HG THR 102 23.581 13.851 7.331 731 HG21 THR 102 3HG2 THR 102 26.104 11.590 7.928 732 HG22 THR 102 1HG2 THR 102 24.544 10.734 7.805 733 HG23 THR 102 2HG2 THR 102 25.356 10.877 9.374 734 H SER 103 H SER 103 21.945 11.761 11.654 735 HA SER 103 HA SER 103 23.202 13.971 13.005 736 HB2 SER 103 1HB SER 103 20.958 14.899 12.172 737 HB3 SER 103 2HB SER 103 20.183 13.799 13.320 738 HG SER 103 HG SER 103 20.651 15.941 14.112 739 H ILE 104 H ILE 104 22.107 13.746 15.437 740 HA ILE 104 HA ILE 104 22.835 10.974 16.260 741 HB ILE 104 HB ILE 104 22.498 13.513 17.914 742 HG12 ILE 104 1HG1 ILE 104 25.030 12.042 17.040 743 HG13 ILE 104 2HG1 ILE 104 24.474 13.587 16.398 744 HG21 ILE 104 1HG2 ILE 104 23.416 12.238 19.784 745 HG22 ILE 104 2HG2 ILE 104 22.017 11.376 19.166 746 HG23 ILE 104 3HG2 ILE 104 23.648 10.809 18.749 747 HD11 ILE 104 3HD1 ILE 104 26.205 14.054 17.960 748 HD12 ILE 104 1HD1 ILE 104 24.675 14.592 18.683 749 HD13 ILE 104 2HD1 ILE 104 25.448 13.080 19.225 750 H ASP 105 H ASP 105 20.884 10.169 15.277 751 HA ASP 105 HA ASP 105 18.240 10.997 16.004 752 HB2 ASP 105 1HB ASP 105 19.169 9.166 14.199 753 HB3 ASP 105 2HB ASP 105 18.722 8.069 15.479 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -29.637 -5.223 3.048 2 HA2 GLY 1 1HA GLY 1 -31.675 -4.107 2.359 3 HA3 GLY 1 2HA GLY 1 -30.269 -3.164 1.793 4 H HIS 2 H HIS 2 -31.824 -2.346 0.059 5 HA HIS 2 HA HIS 2 -32.778 -4.070 -2.024 6 HB2 HIS 2 1HB HIS 2 -31.816 -1.185 -2.262 7 HB3 HIS 2 2HB HIS 2 -32.865 -2.039 -3.383 8 HD1 HIS 2 1HD HIS 2 -35.502 -2.362 -2.544 9 HD2 HIS 2 2HD HIS 2 -32.920 0.014 -0.193 10 HE1 HIS 2 1HE HIS 2 -36.969 -1.021 -0.963 11 H MET 3 H MET 3 -31.796 -4.273 -4.187 12 HA MET 3 HA MET 3 -28.937 -3.775 -4.484 13 HB2 MET 3 1HB MET 3 -30.180 -6.553 -4.811 14 HB3 MET 3 2HB MET 3 -28.555 -6.082 -5.323 15 HG2 MET 3 1HG MET 3 -28.074 -5.451 -2.909 16 HG3 MET 3 2HG MET 3 -29.612 -6.198 -2.486 17 HE1 MET 3 3HE MET 3 -25.830 -8.423 -3.976 18 HE2 MET 3 1HE MET 3 -26.800 -7.526 -5.154 19 HE3 MET 3 2HE MET 3 -25.996 -6.665 -3.818 20 H GLY 4 H GLY 4 -28.667 -4.949 -7.013 21 HA2 GLY 4 1HA GLY 4 -29.473 -5.008 -9.184 22 HA3 GLY 4 2HA GLY 4 -30.985 -4.243 -8.675 23 H SER 5 H SER 5 -30.027 -1.995 -7.320 24 HA SER 5 HA SER 5 -29.547 -0.038 -9.188 25 HB2 SER 5 1HB SER 5 -28.644 1.260 -7.214 26 HB3 SER 5 2HB SER 5 -30.179 0.423 -6.882 27 HG SER 5 HG SER 5 -27.688 -0.784 -6.383 28 HA PRO 6 HA PRO 6 -25.309 -0.682 -10.441 29 HB2 PRO 6 1HB PRO 6 -24.623 1.753 -11.466 30 HB3 PRO 6 2HB PRO 6 -25.843 0.702 -12.238 31 HG2 PRO 6 1HG PRO 6 -26.327 3.011 -10.319 32 HG3 PRO 6 2HG PRO 6 -27.090 2.721 -11.917 33 HD2 PRO 6 1HD PRO 6 -28.294 1.969 -9.592 34 HD3 PRO 6 2HD PRO 6 -28.419 0.967 -11.074 35 H VAL 7 H VAL 7 -23.012 0.545 -10.160 36 HA VAL 7 HA VAL 7 -22.838 1.577 -7.414 37 HB VAL 7 HB VAL 7 -20.905 -0.397 -8.693 38 HG11 VAL 7 1HG1 VAL 7 -19.989 0.880 -6.821 39 HG12 VAL 7 2HG1 VAL 7 -21.392 0.484 -5.817 40 HG13 VAL 7 3HG1 VAL 7 -20.266 -0.791 -6.324 41 HG21 VAL 7 3HG2 VAL 7 -23.246 -1.081 -6.852 42 HG22 VAL 7 1HG2 VAL 7 -22.987 -1.664 -8.510 43 HG23 VAL 7 2HG2 VAL 7 -21.899 -2.171 -7.231 44 H SER 8 H SER 8 -20.907 2.766 -7.032 45 HA SER 8 HA SER 8 -19.309 3.766 -9.314 46 HB2 SER 8 1HB SER 8 -21.010 5.290 -7.331 47 HB3 SER 8 2HB SER 8 -19.490 5.977 -7.874 48 HG SER 8 HG SER 8 -20.223 5.985 -9.951 49 H TYR 9 H TYR 9 -17.372 2.843 -8.730 50 HA TYR 9 HA TYR 9 -16.435 2.819 -5.909 51 HB2 TYR 9 1HB TYR 9 -15.628 1.490 -8.486 52 HB3 TYR 9 2HB TYR 9 -14.373 1.861 -7.328 53 HD1 TYR 9 1HD TYR 9 -17.874 0.369 -7.141 54 HD2 TYR 9 2HD TYR 9 -13.783 0.219 -5.850 55 HE1 TYR 9 1HE TYR 9 -18.328 -1.730 -5.876 56 HE2 TYR 9 2HE TYR 9 -14.164 -1.871 -4.741 57 HH TYR 9 HH TYR 9 -15.857 -3.530 -4.092 58 H TYR 10 H TYR 10 -14.395 3.848 -5.357 59 HA TYR 10 HA TYR 10 -13.792 6.273 -6.978 60 HB2 TYR 10 1HB TYR 10 -14.369 6.091 -4.024 61 HB3 TYR 10 2HB TYR 10 -13.477 7.400 -4.768 62 HD1 TYR 10 1HD TYR 10 -16.695 5.606 -5.602 63 HD2 TYR 10 2HD TYR 10 -14.749 9.367 -4.866 64 HE1 TYR 10 1HE TYR 10 -18.868 6.682 -5.582 65 HE2 TYR 10 2HE TYR 10 -16.884 10.494 -5.070 66 HH TYR 10 HH TYR 10 -19.251 10.188 -5.036 67 H PHE 11 H PHE 11 -11.547 6.527 -7.169 68 HA PHE 11 HA PHE 11 -9.727 5.284 -5.234 69 HB2 PHE 11 1HB PHE 11 -8.553 4.132 -7.306 70 HB3 PHE 11 2HB PHE 11 -9.928 3.379 -6.553 71 HD1 PHE 11 2HD PHE 11 -8.947 5.528 -9.512 72 HD2 PHE 11 1HD PHE 11 -11.887 2.874 -7.789 73 HE1 PHE 11 2HE PHE 11 -10.279 5.662 -11.579 74 HE2 PHE 11 1HE PHE 11 -13.174 2.952 -9.889 75 HZ PHE 11 HZ PHE 11 -12.394 4.400 -11.789 76 H SER 12 H SER 12 -9.666 7.824 -5.052 77 HA SER 12 HA SER 12 -7.164 8.517 -6.373 78 HB2 SER 12 1HB SER 12 -7.930 10.542 -7.407 79 HB3 SER 12 2HB SER 12 -8.829 9.184 -8.070 80 HG SER 12 HG SER 12 -9.740 11.133 -6.209 81 H TYR 13 H TYR 13 -6.959 11.159 -5.711 82 HA TYR 13 HA TYR 13 -7.347 11.379 -2.789 83 HB2 TYR 13 1HB TYR 13 -6.137 13.088 -4.971 84 HB3 TYR 13 2HB TYR 13 -6.395 13.703 -3.358 85 HD1 TYR 13 2HD TYR 13 -5.261 12.834 -1.421 86 HD2 TYR 13 1HD TYR 13 -4.264 11.437 -5.383 87 HE1 TYR 13 2HE TYR 13 -3.314 11.654 -0.517 88 HE2 TYR 13 1HE TYR 13 -2.249 10.282 -4.499 89 HH TYR 13 HH TYR 13 -1.689 10.135 -0.927 90 H ALA 14 H ALA 14 -8.385 13.664 -2.262 91 HA ALA 14 HA ALA 14 -10.953 13.915 -3.750 92 HB1 ALA 14 1HB ALA 14 -11.779 15.046 -1.736 93 HB2 ALA 14 2HB ALA 14 -11.165 13.441 -1.309 94 HB3 ALA 14 3HB ALA 14 -10.197 14.890 -0.955 95 H ASP 15 H ASP 15 -7.964 15.544 -2.855 96 HA ASP 15 HA ASP 15 -8.807 17.921 -4.438 97 HB2 ASP 15 1HB ASP 15 -8.243 19.410 -2.723 98 HB3 ASP 15 2HB ASP 15 -9.271 18.208 -1.964 99 H GLY 16 H GLY 16 -6.672 15.529 -4.241 100 HA2 GLY 16 1HA GLY 16 -4.213 17.138 -4.760 101 HA3 GLY 16 2HA GLY 16 -4.271 15.414 -4.399 102 H GLY 17 H GLY 17 -5.176 14.000 -5.941 103 HA2 GLY 17 1HA GLY 17 -6.035 14.326 -8.543 104 HA3 GLY 17 2HA GLY 17 -4.258 14.426 -8.588 105 H THR 18 H THR 18 -3.384 12.473 -9.017 106 HA THR 18 HA THR 18 -4.606 9.976 -7.972 107 HB THR 18 HB THR 18 -4.122 9.103 -10.374 108 HG1 THR 18 1HG THR 18 -4.555 10.919 -11.885 109 HG21 THR 18 3HG2 THR 18 -6.354 9.351 -9.369 110 HG22 THR 18 1HG2 THR 18 -6.369 9.769 -11.096 111 HG23 THR 18 2HG2 THR 18 -6.400 11.052 -9.873 112 H SER 19 H SER 19 -1.954 11.694 -7.478 113 HA SER 19 HA SER 19 -0.717 9.265 -6.662 114 HB2 SER 19 1HB SER 19 0.045 9.941 -9.202 115 HB3 SER 19 2HB SER 19 1.220 10.900 -8.301 116 HG SER 19 HG SER 19 1.768 8.703 -8.928 117 H HIS 20 H HIS 20 1.503 9.836 -5.720 118 HA HIS 20 HA HIS 20 1.301 12.302 -4.064 119 HB2 HIS 20 1HB HIS 20 2.310 10.603 -2.279 120 HB3 HIS 20 2HB HIS 20 0.603 10.864 -2.489 121 HD1 HIS 20 1HD HIS 20 2.579 8.468 -4.801 122 HD2 HIS 20 2HD HIS 20 -0.018 8.421 -1.489 123 HE1 HIS 20 1HE HIS 20 1.886 6.027 -4.395 124 H THR 21 H THR 21 3.194 13.442 -4.105 125 HA THR 21 HA THR 21 5.724 12.086 -4.454 126 HB THR 21 HB THR 21 4.889 14.092 -6.587 127 HG1 THR 21 1HG THR 21 4.466 11.454 -6.369 128 HG21 THR 21 3HG2 THR 21 6.995 13.651 -7.612 129 HG22 THR 21 1HG2 THR 21 7.293 12.251 -6.599 130 HG23 THR 21 2HG2 THR 21 7.396 13.852 -5.880 131 H GLU 22 H GLU 22 6.081 12.917 -2.419 132 HA GLU 22 HA GLU 22 5.931 15.791 -1.918 133 HB2 GLU 22 1HB GLU 22 5.772 13.636 -0.243 134 HB3 GLU 22 2HB GLU 22 7.496 13.947 -0.126 135 HG2 GLU 22 1HG GLU 22 6.520 15.180 1.639 136 HG3 GLU 22 2HG GLU 22 6.848 16.403 0.399 137 H TYR 23 H TYR 23 7.628 17.249 -1.951 138 HA TYR 23 HA TYR 23 10.359 16.188 -2.470 139 HB2 TYR 23 1HB TYR 23 9.105 18.669 -3.647 140 HB3 TYR 23 2HB TYR 23 10.801 18.228 -3.756 141 HD1 TYR 23 1HD TYR 23 7.365 17.258 -4.829 142 HD2 TYR 23 2HD TYR 23 11.579 16.618 -5.344 143 HE1 TYR 23 1HE TYR 23 6.923 16.223 -7.033 144 HE2 TYR 23 2HE TYR 23 11.185 15.553 -7.514 145 HH TYR 23 HH TYR 23 9.564 15.200 -9.253 146 HA PRO 24 HA PRO 24 9.982 18.820 1.410 147 HB2 PRO 24 1HB PRO 24 11.252 17.147 3.153 148 HB3 PRO 24 2HB PRO 24 9.524 16.927 2.707 149 HG2 PRO 24 1HG PRO 24 11.961 15.575 1.571 150 HG3 PRO 24 2HG PRO 24 10.449 14.801 2.162 151 HD2 PRO 24 1HD PRO 24 10.893 15.314 -0.489 152 HD3 PRO 24 2HD PRO 24 9.266 15.463 0.240 153 H ASP 25 H ASP 25 12.068 19.397 2.940 154 HA ASP 25 HA ASP 25 14.477 19.455 1.307 155 HB2 ASP 25 1HB ASP 25 14.487 21.563 0.507 156 HB3 ASP 25 2HB ASP 25 12.769 21.234 0.361 157 H ASP 26 H ASP 26 16.200 20.184 2.302 158 HA ASP 26 HA ASP 26 17.716 20.341 3.948 159 HB2 ASP 26 1HB ASP 26 16.716 22.454 4.699 160 HB3 ASP 26 2HB ASP 26 15.594 21.579 5.745 161 H SER 27 H SER 27 14.803 19.665 5.839 162 HA SER 27 HA SER 27 15.030 16.821 5.814 163 HB2 SER 27 1HB SER 27 16.807 17.360 7.469 164 HB3 SER 27 2HB SER 27 15.679 18.395 8.362 165 HG SER 27 HG SER 27 15.390 15.565 7.947 166 H SER 28 H SER 28 12.771 16.615 5.403 167 HA SER 28 HA SER 28 11.010 17.780 7.470 168 HB2 SER 28 1HB SER 28 9.758 17.763 4.801 169 HB3 SER 28 2HB SER 28 9.629 18.920 6.117 170 HG SER 28 HG SER 28 11.778 19.653 5.435 171 H ALA 29 H ALA 29 10.178 16.011 8.453 172 HA ALA 29 HA ALA 29 9.353 13.626 6.893 173 HB1 ALA 29 1HB ALA 29 11.724 13.335 7.712 174 HB2 ALA 29 2HB ALA 29 11.154 13.605 9.367 175 HB3 ALA 29 3HB ALA 29 10.576 12.194 8.447 176 H GLY 30 H GLY 30 7.556 12.428 8.092 177 HA2 GLY 30 1HA GLY 30 7.474 12.045 10.683 178 HA3 GLY 30 2HA GLY 30 6.592 13.589 10.574 179 H SER 31 H SER 31 4.995 11.835 11.491 180 HA SER 31 HA SER 31 3.697 10.231 9.382 181 HB2 SER 31 1HB SER 31 2.656 9.140 11.377 182 HB3 SER 31 2HB SER 31 4.426 9.036 11.314 183 HG SER 31 HG SER 31 3.991 9.605 13.335 184 H PHE 32 H PHE 32 2.117 11.164 8.361 185 HA PHE 32 HA PHE 32 0.163 12.901 9.821 186 HB2 PHE 32 1HB PHE 32 0.160 14.481 7.987 187 HB3 PHE 32 2HB PHE 32 1.768 14.298 8.640 188 HD1 PHE 32 1HD PHE 32 3.418 12.698 7.427 189 HD2 PHE 32 2HD PHE 32 -0.155 14.310 5.596 190 HE1 PHE 32 1HE PHE 32 4.303 12.134 5.173 191 HE2 PHE 32 2HE PHE 32 0.795 13.848 3.385 192 HZ PHE 32 HZ PHE 32 2.998 12.753 3.165 193 H ILE 33 H ILE 33 -1.576 13.508 7.793 194 HA ILE 33 HA ILE 33 -2.793 10.974 6.904 195 HB ILE 33 HB ILE 33 -4.033 13.244 8.541 196 HG12 ILE 33 1HG1 ILE 33 -3.440 10.316 9.046 197 HG13 ILE 33 2HG1 ILE 33 -2.909 11.712 9.968 198 HG21 ILE 33 1HG2 ILE 33 -5.638 12.618 6.775 199 HG22 ILE 33 2HG2 ILE 33 -5.529 10.917 7.287 200 HG23 ILE 33 3HG2 ILE 33 -6.207 12.162 8.359 201 HD11 ILE 33 3HD1 ILE 33 -4.533 10.572 11.286 202 HD12 ILE 33 1HD1 ILE 33 -5.293 12.069 10.713 203 HD13 ILE 33 2HD1 ILE 33 -5.689 10.501 9.953 204 H LEU 34 H LEU 34 -4.074 11.271 5.006 205 HA LEU 34 HA LEU 34 -4.090 13.933 3.700 206 HB2 LEU 34 1HB LEU 34 -3.408 11.208 2.522 207 HB3 LEU 34 2HB LEU 34 -3.833 12.605 1.533 208 HG LEU 34 HG LEU 34 -1.474 12.574 3.471 209 HD11 LEU 34 1HD1 LEU 34 -1.252 10.905 1.623 210 HD12 LEU 34 2HD1 LEU 34 -0.042 12.197 1.611 211 HD13 LEU 34 3HD1 LEU 34 -1.383 12.257 0.453 212 HD21 LEU 34 3HD2 LEU 34 -0.789 14.541 1.985 213 HD22 LEU 34 1HD2 LEU 34 -2.180 14.837 3.018 214 HD23 LEU 34 2HD2 LEU 34 -2.409 14.485 1.280 215 H ASP 35 H ASP 35 -5.891 14.205 2.294 216 HA ASP 35 HA ASP 35 -8.313 12.903 3.270 217 HB2 ASP 35 1HB ASP 35 -7.881 15.189 1.335 218 HB3 ASP 35 2HB ASP 35 -9.461 14.618 1.887 219 H ILE 36 H ILE 36 -7.156 10.884 2.156 220 HA ILE 36 HA ILE 36 -7.478 10.597 -0.699 221 HB ILE 36 HB ILE 36 -6.779 8.770 1.615 222 HG12 ILE 36 1HG1 ILE 36 -5.109 9.533 -0.805 223 HG13 ILE 36 2HG1 ILE 36 -5.228 10.605 0.569 224 HG21 ILE 36 1HG2 ILE 36 -7.055 7.930 -1.305 225 HG22 ILE 36 2HG2 ILE 36 -6.098 7.060 -0.092 226 HG23 ILE 36 3HG2 ILE 36 -7.841 7.223 0.118 227 HD11 ILE 36 3HD1 ILE 36 -4.020 7.832 0.572 228 HD12 ILE 36 1HD1 ILE 36 -3.225 9.401 0.823 229 HD13 ILE 36 2HD1 ILE 36 -4.349 8.784 2.045 230 H THR 37 H THR 37 -8.881 9.082 -1.809 231 HA THR 37 HA THR 37 -11.568 8.898 -0.624 232 HB THR 37 HB THR 37 -10.896 9.459 -3.534 233 HG1 THR 37 1HG THR 37 -10.853 11.553 -3.123 234 HG21 THR 37 3HG2 THR 37 -13.290 10.232 -1.830 235 HG22 THR 37 1HG2 THR 37 -13.247 8.746 -2.800 236 HG23 THR 37 2HG2 THR 37 -13.146 10.347 -3.593 237 H SER 38 H SER 38 -11.978 6.744 -0.306 238 HA SER 38 HA SER 38 -11.570 4.882 -2.539 239 HB2 SER 38 1HB SER 38 -10.487 3.380 -0.517 240 HB3 SER 38 2HB SER 38 -9.624 4.173 -1.820 241 HG SER 38 HG SER 38 -10.114 5.397 0.691 242 H TYR 39 H TYR 39 -13.852 4.640 -2.639 243 HA TYR 39 HA TYR 39 -14.950 2.887 -0.661 244 HB2 TYR 39 1HB TYR 39 -16.762 4.320 0.121 245 HB3 TYR 39 2HB TYR 39 -15.233 5.034 0.541 246 HD1 TYR 39 1HD TYR 39 -14.393 7.132 -0.778 247 HD2 TYR 39 2HD TYR 39 -18.331 5.441 -1.211 248 HE1 TYR 39 1HE TYR 39 -15.235 9.303 -1.555 249 HE2 TYR 39 2HE TYR 39 -19.129 7.600 -2.198 250 HH TYR 39 HH TYR 39 -17.190 10.583 -1.807 251 H LYS 40 H LYS 40 -17.269 2.328 -1.228 252 HA LYS 40 HA LYS 40 -17.815 2.616 -4.139 253 HB2 LYS 40 1HB LYS 40 -18.659 0.454 -4.278 254 HB3 LYS 40 2HB LYS 40 -16.967 0.431 -3.757 255 HG2 LYS 40 1HG LYS 40 -17.669 -1.159 -2.314 256 HG3 LYS 40 2HG LYS 40 -18.199 0.205 -1.349 257 HD2 LYS 40 1HD LYS 40 -20.122 -1.137 -1.410 258 HD3 LYS 40 2HD LYS 40 -20.432 0.028 -2.702 259 HE2 LYS 40 1HE LYS 40 -21.073 -2.165 -3.479 260 HE3 LYS 40 2HE LYS 40 -19.598 -1.727 -4.346 261 HZ1 LYS 40 3HZ LYS 40 -19.591 -4.011 -3.527 262 HZ2 LYS 40 1HZ LYS 40 -19.743 -3.535 -1.997 263 HZ3 LYS 40 2HZ LYS 40 -18.368 -3.191 -2.862 264 H LYS 41 H LYS 41 -19.688 3.532 -4.561 265 HA LYS 41 HA LYS 41 -21.688 4.006 -2.442 266 HB2 LYS 41 1HB LYS 41 -20.390 5.830 -3.588 267 HB3 LYS 41 2HB LYS 41 -21.128 5.398 -5.122 268 HG2 LYS 41 1HG LYS 41 -23.319 6.099 -4.257 269 HG3 LYS 41 2HG LYS 41 -22.621 6.266 -2.637 270 HD2 LYS 41 1HD LYS 41 -20.950 7.962 -3.766 271 HD3 LYS 41 2HD LYS 41 -22.137 8.006 -5.078 272 HE2 LYS 41 1HE LYS 41 -23.902 8.627 -3.454 273 HE3 LYS 41 2HE LYS 41 -22.761 8.504 -2.124 274 HZ1 LYS 41 3HZ LYS 41 -23.101 10.807 -2.856 275 HZ2 LYS 41 1HZ LYS 41 -22.534 10.469 -4.344 276 HZ3 LYS 41 2HZ LYS 41 -21.532 10.382 -3.064 277 H THR 42 H THR 42 -23.687 3.186 -2.675 278 HA THR 42 HA THR 42 -24.966 2.789 -5.168 279 HB THR 42 HB THR 42 -23.537 0.940 -5.569 280 HG1 THR 42 1HG THR 42 -25.339 0.408 -6.329 281 HG21 THR 42 3HG2 THR 42 -23.381 -1.061 -4.151 282 HG22 THR 42 1HG2 THR 42 -24.230 -0.189 -2.853 283 HG23 THR 42 2HG2 THR 42 -22.633 0.366 -3.435 284 H GLY 43 H GLY 43 -27.162 2.503 -4.882 285 HA2 GLY 43 1HA GLY 43 -29.164 2.536 -3.833 286 HA3 GLY 43 2HA GLY 43 -28.466 1.544 -2.534 287 H ASN 44 H ASN 44 -27.862 2.560 -0.618 288 HA ASN 44 HA ASN 44 -28.218 5.520 -0.413 289 HB2 ASN 44 1HB ASN 44 -29.607 3.439 1.317 290 HB3 ASN 44 2HB ASN 44 -29.623 5.184 1.569 291 HD21 ASN 44 1HD2 ASN 44 -31.415 2.684 0.168 292 HD22 ASN 44 2HD2 ASN 44 -32.387 3.708 -0.877 293 H SER 45 H SER 45 -25.757 3.636 -0.298 294 HA SER 45 HA SER 45 -24.723 4.771 2.147 295 HB2 SER 45 1HB SER 45 -25.814 2.709 2.977 296 HB3 SER 45 2HB SER 45 -24.884 1.747 1.824 297 HG SER 45 HG SER 45 -23.712 3.330 3.890 298 H THR 46 H THR 46 -22.504 4.355 2.385 299 HA THR 46 HA THR 46 -20.898 4.093 -0.056 300 HB THR 46 HB THR 46 -19.659 6.110 1.154 301 HG1 THR 46 1HG THR 46 -21.451 7.516 2.010 302 HG21 THR 46 3HG2 THR 46 -20.711 6.096 -1.087 303 HG22 THR 46 1HG2 THR 46 -20.938 7.643 -0.261 304 HG23 THR 46 2HG2 THR 46 -22.283 6.489 -0.344 305 H LYS 47 H LYS 47 -19.515 2.526 0.304 306 HA LYS 47 HA LYS 47 -18.850 1.729 3.108 307 HB2 LYS 47 1HB LYS 47 -20.285 0.173 2.062 308 HB3 LYS 47 2HB LYS 47 -19.407 0.220 0.535 309 HG2 LYS 47 1HG LYS 47 -17.535 -0.953 1.428 310 HG3 LYS 47 2HG LYS 47 -18.133 -0.798 3.096 311 HD2 LYS 47 1HD LYS 47 -19.662 -2.245 0.911 312 HD3 LYS 47 2HD LYS 47 -18.485 -3.070 1.937 313 HE2 LYS 47 1HE LYS 47 -19.851 -3.137 3.730 314 HE3 LYS 47 2HE LYS 47 -20.333 -1.450 3.528 315 HZ1 LYS 47 3HZ LYS 47 -21.505 -3.734 2.066 316 HZ2 LYS 47 1HZ LYS 47 -21.920 -2.149 1.842 317 HZ3 LYS 47 2HZ LYS 47 -22.208 -2.877 3.272 318 H ALA 48 H ALA 48 -16.772 2.301 3.611 319 HA ALA 48 HA ALA 48 -14.944 3.102 1.508 320 HB1 ALA 48 1HB ALA 48 -13.424 3.662 3.307 321 HB2 ALA 48 2HB ALA 48 -15.032 4.296 3.655 322 HB3 ALA 48 3HB ALA 48 -14.443 2.829 4.488 323 H LEU 49 H LEU 49 -12.870 2.280 1.218 324 HA LEU 49 HA LEU 49 -12.460 -0.612 1.832 325 HB2 LEU 49 1HB LEU 49 -12.205 0.866 -0.822 326 HB3 LEU 49 2HB LEU 49 -11.462 -0.688 -0.527 327 HG LEU 49 HG LEU 49 -14.387 -0.013 -0.564 328 HD11 LEU 49 1HD1 LEU 49 -12.736 -1.692 -2.394 329 HD12 LEU 49 2HD1 LEU 49 -13.713 -0.237 -2.735 330 HD13 LEU 49 3HD1 LEU 49 -14.518 -1.748 -2.341 331 HD21 LEU 49 3HD2 LEU 49 -13.241 -2.803 -0.043 332 HD22 LEU 49 1HD2 LEU 49 -14.953 -2.359 -0.158 333 HD23 LEU 49 2HD2 LEU 49 -14.004 -1.808 1.198 334 H SER 50 H SER 50 -10.567 -1.136 2.596 335 HA SER 50 HA SER 50 -8.524 0.778 3.153 336 HB2 SER 50 1HB SER 50 -8.344 -2.254 3.213 337 HB3 SER 50 2HB SER 50 -7.444 -1.102 4.211 338 HG SER 50 HG SER 50 -9.156 -2.098 5.318 339 H TRP 51 H TRP 51 -6.117 -0.134 2.665 340 HA TRP 51 HA TRP 51 -5.796 -1.433 0.126 341 HB2 TRP 51 1HB TRP 51 -4.389 0.266 -0.876 342 HB3 TRP 51 2HB TRP 51 -5.949 0.954 -0.587 343 HD1 TRP 51 HD TRP 51 -2.281 1.233 0.349 344 HE1 TRP 51 1HE TRP 51 -1.873 3.598 1.283 345 HE3 TRP 51 3HE TRP 51 -7.152 2.765 0.939 346 HZ2 TRP 51 2HZ TRP 51 -3.412 5.787 2.260 347 HZ3 TRP 51 3HZ TRP 51 -7.625 5.030 1.819 348 HH2 TRP 51 HH TRP 51 -5.776 6.535 2.489 349 H ASN 52 H ASN 52 -3.298 -1.613 -0.236 350 HA ASN 52 HA ASN 52 -1.672 -1.348 2.206 351 HB2 ASN 52 1HB ASN 52 -0.596 -3.545 1.807 352 HB3 ASN 52 2HB ASN 52 -2.274 -3.656 2.327 353 HD21 ASN 52 1HD2 ASN 52 -1.025 -3.175 -1.134 354 HD22 ASN 52 2HD2 ASN 52 -1.689 -4.707 -1.630 355 H ALA 53 H ALA 53 0.752 -1.593 1.562 356 HA ALA 53 HA ALA 53 1.381 -1.014 -1.244 357 HB1 ALA 53 1HB ALA 53 0.972 1.217 -0.139 358 HB2 ALA 53 2HB ALA 53 2.252 0.826 1.034 359 HB3 ALA 53 3HB ALA 53 2.637 0.971 -0.692 360 H SER 54 H SER 54 3.733 -1.376 -1.612 361 HA SER 54 HA SER 54 5.428 -2.240 0.598 362 HB2 SER 54 1HB SER 54 4.588 -4.153 -1.591 363 HB3 SER 54 2HB SER 54 6.022 -4.379 -0.596 364 HG SER 54 HG SER 54 4.608 -5.483 0.504 365 H GLY 55 H GLY 55 7.585 -1.919 0.084 366 HA2 GLY 55 1HA GLY 55 8.887 -2.499 -2.160 367 HA3 GLY 55 2HA GLY 55 8.358 -0.858 -2.546 368 H ASP 56 H ASP 56 9.104 0.893 -1.008 369 HA ASP 56 HA ASP 56 11.858 0.581 -0.280 370 HB2 ASP 56 1HB ASP 56 9.914 2.779 0.449 371 HB3 ASP 56 2HB ASP 56 11.653 2.848 0.649 372 H SER 57 H SER 57 12.782 0.979 1.849 373 HA SER 57 HA SER 57 11.525 -0.626 3.863 374 HB2 SER 57 1HB SER 57 13.973 -0.575 3.176 375 HB3 SER 57 2HB SER 57 14.116 0.965 4.037 376 HG SER 57 HG SER 57 13.329 -0.195 5.899 377 H TRP 58 H TRP 58 11.183 2.730 3.340 378 HA TRP 58 HA TRP 58 11.056 3.390 6.245 379 HB2 TRP 58 1HB TRP 58 11.991 5.625 5.409 380 HB3 TRP 58 2HB TRP 58 13.041 4.264 5.484 381 HD1 TRP 58 HD TRP 58 13.729 3.119 3.122 382 HE1 TRP 58 1HE TRP 58 13.900 4.124 0.691 383 HE3 TRP 58 3HE TRP 58 11.027 7.414 3.751 384 HZ2 TRP 58 2HZ TRP 58 13.009 6.405 -0.698 385 HZ3 TRP 58 3HZ TRP 58 10.778 9.021 1.899 386 HH2 TRP 58 HH TRP 58 11.787 8.528 -0.348 387 H ILE 59 H ILE 59 8.682 2.673 4.558 388 HA ILE 59 HA ILE 59 7.289 5.339 4.554 389 HB ILE 59 HB ILE 59 7.414 3.212 2.384 390 HG12 ILE 59 1HG1 ILE 59 8.125 6.192 2.459 391 HG13 ILE 59 2HG1 ILE 59 9.271 4.849 2.424 392 HG21 ILE 59 1HG2 ILE 59 5.040 3.957 2.670 393 HG22 ILE 59 2HG2 ILE 59 5.568 5.633 2.467 394 HG23 ILE 59 3HG2 ILE 59 5.736 4.443 1.142 395 HD11 ILE 59 3HD1 ILE 59 9.212 5.634 0.228 396 HD12 ILE 59 1HD1 ILE 59 8.247 4.136 0.233 397 HD13 ILE 59 2HD1 ILE 59 7.433 5.700 0.206 398 H HIS 60 H HIS 60 6.033 5.007 6.322 399 HA HIS 60 HA HIS 60 4.657 2.499 6.925 400 HB2 HIS 60 1HB HIS 60 4.690 5.314 8.010 401 HB3 HIS 60 2HB HIS 60 3.461 4.192 8.523 402 HD1 HIS 60 1HD HIS 60 4.608 1.707 9.408 403 HD2 HIS 60 2HD HIS 60 6.702 5.346 9.713 404 HE1 HIS 60 1HE HIS 60 6.242 1.446 11.380 405 H VAL 61 H VAL 61 2.663 1.948 6.266 406 HA VAL 61 HA VAL 61 0.961 3.938 4.888 407 HB VAL 61 HB VAL 61 2.140 2.488 3.309 408 HG11 VAL 61 1HG1 VAL 61 1.685 0.091 3.136 409 HG12 VAL 61 2HG1 VAL 61 2.449 0.468 4.679 410 HG13 VAL 61 3HG1 VAL 61 0.701 0.138 4.612 411 HG21 VAL 61 3HG2 VAL 61 -0.833 1.905 3.445 412 HG22 VAL 61 1HG2 VAL 61 -0.071 3.362 2.784 413 HG23 VAL 61 2HG2 VAL 61 0.201 1.797 2.008 414 H ASN 62 H ASN 62 -1.259 3.851 5.306 415 HA ASN 62 HA ASN 62 -2.425 1.773 6.981 416 HB2 ASN 62 1HB ASN 62 -1.521 4.340 8.053 417 HB3 ASN 62 2HB ASN 62 -3.277 4.353 7.989 418 HD21 ASN 62 1HD2 ASN 62 -0.605 2.150 8.941 419 HD22 ASN 62 2HD2 ASN 62 -1.382 1.541 10.366 420 H GLY 63 H GLY 63 -4.791 1.834 6.684 421 HA2 GLY 63 1HA GLY 63 -5.732 2.738 4.224 422 HA3 GLY 63 2HA GLY 63 -6.726 2.237 5.599 423 H SER 64 H SER 64 -5.311 4.680 7.056 424 HA SER 64 HA SER 64 -6.704 6.912 5.656 425 HB2 SER 64 1HB SER 64 -6.770 6.333 8.634 426 HB3 SER 64 2HB SER 64 -7.413 7.777 7.848 427 HG SER 64 HG SER 64 -9.147 6.713 7.589 428 H SER 65 H SER 65 -3.627 5.887 6.668 429 HA SER 65 HA SER 65 -2.794 8.661 7.326 430 HB2 SER 65 1HB SER 65 -2.081 6.287 9.064 431 HB3 SER 65 2HB SER 65 -1.697 7.986 9.341 432 HG SER 65 HG SER 65 -3.807 6.618 10.164 433 H VAL 66 H VAL 66 -0.345 8.852 7.331 434 HA VAL 66 HA VAL 66 1.071 6.755 5.807 435 HB VAL 66 HB VAL 66 -0.009 8.201 4.155 436 HG11 VAL 66 1HG1 VAL 66 -0.429 10.256 5.356 437 HG12 VAL 66 2HG1 VAL 66 1.310 10.575 5.501 438 HG13 VAL 66 3HG1 VAL 66 0.525 10.601 3.913 439 HG21 VAL 66 3HG2 VAL 66 2.930 8.932 4.251 440 HG22 VAL 66 1HG2 VAL 66 2.302 7.358 3.715 441 HG23 VAL 66 2HG2 VAL 66 1.875 8.834 2.834 442 H SER 67 H SER 67 3.454 7.027 6.045 443 HA SER 67 HA SER 67 4.365 9.483 7.231 444 HB2 SER 67 1HB SER 67 5.715 7.103 8.432 445 HB3 SER 67 2HB SER 67 5.522 8.716 9.074 446 HG SER 67 HG SER 67 4.349 6.933 10.141 447 H TYR 68 H TYR 68 6.714 9.719 6.708 448 HA TYR 68 HA TYR 68 7.863 7.518 5.142 449 HB2 TYR 68 1HB TYR 68 8.684 10.180 4.215 450 HB3 TYR 68 2HB TYR 68 8.545 8.692 3.349 451 HD1 TYR 68 1HD TYR 68 6.027 7.873 2.849 452 HD2 TYR 68 2HD TYR 68 7.201 11.950 3.680 453 HE1 TYR 68 1HE TYR 68 4.073 8.672 1.653 454 HE2 TYR 68 2HE TYR 68 5.295 12.769 2.347 455 HH TYR 68 HH TYR 68 3.233 12.104 1.195 456 H ASP 69 H ASP 69 9.435 6.930 6.423 457 HA ASP 69 HA ASP 69 10.447 8.622 8.575 458 HB2 ASP 69 1HB ASP 69 10.243 5.868 8.298 459 HB3 ASP 69 2HB ASP 69 11.878 6.097 7.772 460 H GLU 70 H GLU 70 12.933 8.662 8.784 461 HA GLU 70 HA GLU 70 13.945 9.805 6.243 462 HB2 GLU 70 1HB GLU 70 13.636 11.122 8.516 463 HB3 GLU 70 2HB GLU 70 15.211 10.419 8.893 464 HG2 GLU 70 1HG GLU 70 16.204 11.498 6.960 465 HG3 GLU 70 2HG GLU 70 14.618 11.894 6.295 466 H ASN 71 H ASN 71 16.548 9.699 6.372 467 HA ASN 71 HA ASN 71 17.027 6.758 6.315 468 HB2 ASN 71 1HB ASN 71 18.127 7.002 4.280 469 HB3 ASN 71 2HB ASN 71 16.730 8.038 4.146 470 HD21 ASN 71 1HD2 ASN 71 17.925 9.124 2.305 471 HD22 ASN 71 2HD2 ASN 71 19.369 10.031 2.644 472 HA PRO 72 HA PRO 72 20.571 7.308 8.890 473 HB2 PRO 72 1HB PRO 72 22.080 5.117 8.311 474 HB3 PRO 72 2HB PRO 72 20.404 4.949 8.928 475 HG2 PRO 72 1HG PRO 72 21.343 4.894 6.033 476 HG3 PRO 72 2HG PRO 72 20.328 3.690 6.888 477 HD2 PRO 72 1HD PRO 72 19.210 5.623 5.405 478 HD3 PRO 72 2HD PRO 72 18.473 5.101 6.947 479 H ALA 73 H ALA 73 21.052 7.816 5.529 480 HA ALA 73 HA ALA 73 23.875 8.594 5.863 481 HB1 ALA 73 1HB ALA 73 22.894 6.779 3.600 482 HB2 ALA 73 2HB ALA 73 24.507 7.485 3.764 483 HB3 ALA 73 3HB ALA 73 23.959 6.270 4.941 484 H LYS 74 H LYS 74 24.282 10.424 4.610 485 HA LYS 74 HA LYS 74 21.874 11.888 4.080 486 HB2 LYS 74 1HB LYS 74 23.272 13.860 4.231 487 HB3 LYS 74 2HB LYS 74 23.401 12.810 5.607 488 HG2 LYS 74 1HG LYS 74 25.632 13.072 5.355 489 HG3 LYS 74 2HG LYS 74 25.483 11.796 4.152 490 HD2 LYS 74 1HD LYS 74 25.542 13.345 2.337 491 HD3 LYS 74 2HD LYS 74 25.110 14.692 3.411 492 HE2 LYS 74 1HE LYS 74 27.311 14.362 4.593 493 HE3 LYS 74 2HE LYS 74 27.777 13.264 3.271 494 HZ1 LYS 74 3HZ LYS 74 27.450 15.033 1.732 495 HZ2 LYS 74 1HZ LYS 74 28.425 15.625 2.941 496 HZ3 LYS 74 2HZ LYS 74 26.816 16.031 2.880 497 H GLU 75 H GLU 75 22.614 9.927 2.190 498 HA GLU 75 HA GLU 75 23.246 11.384 -0.224 499 HB2 GLU 75 1HB GLU 75 22.275 8.521 0.269 500 HB3 GLU 75 2HB GLU 75 22.401 9.248 -1.351 501 HG2 GLU 75 1HG GLU 75 24.893 9.787 -0.298 502 HG3 GLU 75 2HG GLU 75 24.495 8.248 0.462 503 H ARG 76 H ARG 76 21.320 11.188 -1.903 504 HA ARG 76 HA ARG 76 18.731 11.792 -0.565 505 HB2 ARG 76 1HB ARG 76 19.778 13.188 -2.554 506 HB3 ARG 76 2HB ARG 76 19.205 11.845 -3.563 507 HG2 ARG 76 1HG ARG 76 16.911 12.229 -2.608 508 HG3 ARG 76 2HG ARG 76 17.577 13.606 -1.706 509 HD2 ARG 76 1HD ARG 76 17.443 13.323 -4.726 510 HD3 ARG 76 2HD ARG 76 16.388 14.326 -3.739 511 HE ARG 76 HE ARG 76 19.071 14.912 -4.643 512 HH11 ARG 76 1HH1 ARG 76 16.548 15.975 -2.401 513 HH12 ARG 76 2HH1 ARG 76 17.456 17.290 -1.758 514 HH21 ARG 76 1HH2 ARG 76 20.186 16.817 -3.993 515 HH22 ARG 76 2HH2 ARG 76 19.389 17.933 -2.948 516 H ARG 77 H ARG 77 16.916 10.471 -1.239 517 HA ARG 77 HA ARG 77 17.414 8.173 -2.950 518 HB2 ARG 77 1HB ARG 77 16.210 8.020 -0.142 519 HB3 ARG 77 2HB ARG 77 15.804 6.838 -1.374 520 HG2 ARG 77 1HG ARG 77 18.682 7.386 -0.534 521 HG3 ARG 77 2HG ARG 77 17.659 6.172 0.235 522 HD2 ARG 77 1HD ARG 77 17.424 4.905 -1.757 523 HD3 ARG 77 2HD ARG 77 18.039 6.184 -2.770 524 HE ARG 77 HE ARG 77 20.256 5.873 -1.824 525 HH11 ARG 77 1HH1 ARG 77 18.016 3.123 -1.810 526 HH12 ARG 77 2HH1 ARG 77 19.193 1.983 -1.259 527 HH21 ARG 77 1HH2 ARG 77 21.931 4.251 -1.450 528 HH22 ARG 77 2HH2 ARG 77 21.459 2.599 -1.379 529 H THR 78 H THR 78 15.380 7.485 -3.904 530 HA THR 78 HA THR 78 13.243 9.543 -3.838 531 HB THR 78 HB THR 78 14.639 8.416 -6.295 532 HG1 THR 78 1HG THR 78 15.849 10.025 -5.288 533 HG21 THR 78 3HG2 THR 78 12.210 10.177 -5.921 534 HG22 THR 78 1HG2 THR 78 12.389 8.734 -6.921 535 HG23 THR 78 2HG2 THR 78 13.181 10.238 -7.414 536 H GLY 79 H GLY 79 11.717 8.213 -2.853 537 HA2 GLY 79 1HA GLY 79 11.892 5.376 -2.983 538 HA3 GLY 79 2HA GLY 79 10.564 6.302 -2.289 539 H LEU 80 H LEU 80 10.074 3.899 -3.605 540 HA LEU 80 HA LEU 80 7.927 4.852 -5.137 541 HB2 LEU 80 1HB LEU 80 9.608 4.486 -6.996 542 HB3 LEU 80 2HB LEU 80 9.723 2.800 -6.511 543 HG LEU 80 HG LEU 80 7.120 2.725 -6.879 544 HD11 LEU 80 1HD1 LEU 80 7.821 5.233 -8.465 545 HD12 LEU 80 2HD1 LEU 80 6.742 5.154 -7.056 546 HD13 LEU 80 3HD1 LEU 80 6.302 4.321 -8.560 547 HD21 LEU 80 3HD2 LEU 80 9.088 2.991 -9.169 548 HD22 LEU 80 1HD2 LEU 80 7.444 2.324 -9.306 549 HD23 LEU 80 2HD2 LEU 80 8.639 1.529 -8.272 550 H VAL 81 H VAL 81 6.308 3.729 -4.144 551 HA VAL 81 HA VAL 81 6.513 0.778 -4.091 552 HB VAL 81 HB VAL 81 4.956 0.687 -2.239 553 HG11 VAL 81 1HG1 VAL 81 6.406 1.173 -0.441 554 HG12 VAL 81 2HG1 VAL 81 7.476 0.918 -1.841 555 HG13 VAL 81 3HG1 VAL 81 7.147 2.544 -1.276 556 HG21 VAL 81 3HG2 VAL 81 4.283 2.568 -0.878 557 HG22 VAL 81 1HG2 VAL 81 5.169 3.687 -1.925 558 HG23 VAL 81 2HG2 VAL 81 3.742 2.826 -2.540 559 H THR 82 H THR 82 4.583 -0.241 -4.731 560 HA THR 82 HA THR 82 2.487 1.482 -6.007 561 HB THR 82 HB THR 82 3.154 -1.450 -6.458 562 HG1 THR 82 1HG THR 82 4.493 -0.132 -7.630 563 HG21 THR 82 3HG2 THR 82 0.865 0.183 -7.680 564 HG22 THR 82 1HG2 THR 82 0.735 -1.283 -6.683 565 HG23 THR 82 2HG2 THR 82 1.447 -1.378 -8.283 566 H LEU 83 H LEU 83 0.267 0.824 -5.465 567 HA LEU 83 HA LEU 83 -0.104 -0.638 -2.959 568 HB2 LEU 83 1HB LEU 83 -2.079 1.378 -3.003 569 HB3 LEU 83 2HB LEU 83 -0.864 1.174 -1.793 570 HG LEU 83 HG LEU 83 -0.446 2.898 -4.273 571 HD11 LEU 83 1HD1 LEU 83 -1.658 3.551 -1.558 572 HD12 LEU 83 2HD1 LEU 83 -2.314 3.863 -3.191 573 HD13 LEU 83 3HD1 LEU 83 -0.931 4.779 -2.587 574 HD21 LEU 83 3HD2 LEU 83 1.306 3.968 -2.979 575 HD22 LEU 83 1HD2 LEU 83 1.614 2.231 -2.916 576 HD23 LEU 83 2HD2 LEU 83 0.881 3.038 -1.530 577 H LYS 84 H LYS 84 -2.416 -1.422 -2.826 578 HA LYS 84 HA LYS 84 -4.088 -0.885 -5.183 579 HB2 LYS 84 1HB LYS 84 -2.916 -3.183 -5.495 580 HB3 LYS 84 2HB LYS 84 -3.876 -3.725 -4.099 581 HG2 LYS 84 1HG LYS 84 -5.912 -2.798 -5.400 582 HG3 LYS 84 2HG LYS 84 -4.841 -2.668 -6.780 583 HD2 LYS 84 1HD LYS 84 -4.516 -5.128 -6.690 584 HD3 LYS 84 2HD LYS 84 -5.566 -5.205 -5.249 585 HE2 LYS 84 1HE LYS 84 -7.399 -4.161 -6.622 586 HE3 LYS 84 2HE LYS 84 -6.356 -4.280 -8.044 587 HZ1 LYS 84 3HZ LYS 84 -7.912 -6.053 -7.938 588 HZ2 LYS 84 1HZ LYS 84 -7.476 -6.513 -6.450 589 HZ3 LYS 84 2HZ LYS 84 -6.400 -6.702 -7.717 590 H GLN 85 H GLN 85 -6.333 -1.097 -4.574 591 HA GLN 85 HA GLN 85 -6.969 -0.684 -1.731 592 HB2 GLN 85 1HB GLN 85 -7.962 0.795 -3.495 593 HB3 GLN 85 2HB GLN 85 -8.710 -0.598 -4.228 594 HG2 GLN 85 1HG GLN 85 -10.194 -0.851 -2.185 595 HG3 GLN 85 2HG GLN 85 -9.434 0.623 -1.555 596 HE21 GLN 85 1HE2 GLN 85 -9.844 2.568 -2.792 597 HE22 GLN 85 2HE2 GLN 85 -11.224 2.748 -3.886 598 H ASP 86 H ASP 86 -8.794 -2.060 -0.939 599 HA ASP 86 HA ASP 86 -8.443 -4.816 -1.142 600 HB2 ASP 86 1HB ASP 86 -9.733 -3.688 0.626 601 HB3 ASP 86 2HB ASP 86 -11.029 -3.337 -0.521 602 H GLU 87 H GLU 87 -11.245 -3.163 -2.658 603 HA GLU 87 HA GLU 87 -11.520 -5.422 -4.583 604 HB2 GLU 87 1HB GLU 87 -13.532 -3.443 -3.611 605 HB3 GLU 87 2HB GLU 87 -13.893 -4.940 -4.489 606 HG2 GLU 87 1HG GLU 87 -12.907 -6.148 -2.434 607 HG3 GLU 87 2HG GLU 87 -12.963 -4.561 -1.635 608 H SER 88 H SER 88 -10.313 -2.515 -4.686 609 HA SER 88 HA SER 88 -10.667 -2.375 -7.564 610 HB2 SER 88 1HB SER 88 -12.217 -0.621 -6.713 611 HB3 SER 88 2HB SER 88 -10.823 0.222 -6.011 612 HG SER 88 HG SER 88 -11.559 -0.072 -8.709 613 H GLY 89 H GLY 89 -8.970 0.051 -7.689 614 HA2 GLY 89 1HA GLY 89 -6.370 -0.917 -6.705 615 HA3 GLY 89 2HA GLY 89 -6.653 -0.893 -8.451 616 H LYS 90 H LYS 90 -7.184 1.100 -5.543 617 HA LYS 90 HA LYS 90 -6.168 3.573 -6.781 618 HB2 LYS 90 1HB LYS 90 -6.445 2.574 -3.949 619 HB3 LYS 90 2HB LYS 90 -5.324 3.926 -4.394 620 HG2 LYS 90 1HG LYS 90 -7.390 4.941 -5.480 621 HG3 LYS 90 2HG LYS 90 -8.307 3.880 -4.385 622 HD2 LYS 90 1HD LYS 90 -6.315 6.095 -3.684 623 HD3 LYS 90 2HD LYS 90 -8.046 6.122 -3.462 624 HE2 LYS 90 1HE LYS 90 -7.622 5.580 -1.353 625 HE3 LYS 90 2HE LYS 90 -7.490 3.930 -1.943 626 HZ1 LYS 90 3HZ LYS 90 -5.663 4.706 -0.507 627 HZ2 LYS 90 1HZ LYS 90 -5.189 5.768 -1.665 628 HZ3 LYS 90 2HZ LYS 90 -5.126 4.132 -1.946 629 H THR 91 H THR 91 -4.632 2.693 -8.078 630 HA THR 91 HA THR 91 -2.098 1.766 -6.887 631 HB THR 91 HB THR 91 -1.507 1.579 -9.365 632 HG1 THR 91 1HG THR 91 -3.168 1.610 -10.793 633 HG21 THR 91 3HG2 THR 91 -3.684 -0.207 -8.183 634 HG22 THR 91 1HG2 THR 91 -1.921 -0.454 -8.136 635 HG23 THR 91 2HG2 THR 91 -2.784 -0.575 -9.665 636 H LEU 92 H LEU 92 -0.775 3.371 -6.341 637 HA LEU 92 HA LEU 92 -0.782 5.988 -7.713 638 HB2 LEU 92 1HB LEU 92 -0.771 5.603 -4.722 639 HB3 LEU 92 2HB LEU 92 -0.703 7.151 -5.560 640 HG LEU 92 HG LEU 92 -3.113 5.275 -5.475 641 HD11 LEU 92 1HD1 LEU 92 -2.704 7.901 -3.997 642 HD12 LEU 92 2HD1 LEU 92 -2.500 6.314 -3.261 643 HD13 LEU 92 3HD1 LEU 92 -4.081 6.795 -3.893 644 HD21 LEU 92 3HD2 LEU 92 -3.194 6.799 -7.467 645 HD22 LEU 92 1HD2 LEU 92 -3.031 8.187 -6.369 646 HD23 LEU 92 2HD2 LEU 92 -4.467 7.170 -6.294 647 H SER 93 H SER 93 1.499 6.990 -7.323 648 HA SER 93 HA SER 93 3.520 4.824 -6.850 649 HB2 SER 93 1HB SER 93 3.580 7.195 -8.726 650 HB3 SER 93 2HB SER 93 4.823 5.954 -8.602 651 HG SER 93 HG SER 93 3.705 4.753 -9.938 652 H LEU 94 H LEU 94 4.686 5.296 -5.035 653 HA LEU 94 HA LEU 94 4.312 7.987 -3.910 654 HB2 LEU 94 1HB LEU 94 3.977 5.514 -2.829 655 HB3 LEU 94 2HB LEU 94 5.566 5.905 -2.216 656 HG LEU 94 HG LEU 94 2.941 7.235 -1.682 657 HD11 LEU 94 1HD1 LEU 94 3.397 6.789 0.576 658 HD12 LEU 94 2HD1 LEU 94 5.115 6.485 0.240 659 HD13 LEU 94 3HD1 LEU 94 3.884 5.331 -0.302 660 HD21 LEU 94 3HD2 LEU 94 4.413 9.153 -2.178 661 HD22 LEU 94 1HD2 LEU 94 5.573 8.525 -0.996 662 HD23 LEU 94 2HD2 LEU 94 3.964 9.050 -0.489 663 H LYS 95 H LYS 95 5.801 9.057 -5.347 664 HA LYS 95 HA LYS 95 8.664 8.424 -4.867 665 HB2 LYS 95 1HB LYS 95 7.192 9.812 -7.027 666 HB3 LYS 95 2HB LYS 95 8.714 10.586 -6.550 667 HG2 LYS 95 1HG LYS 95 9.994 8.623 -6.900 668 HG3 LYS 95 2HG LYS 95 8.549 7.659 -7.298 669 HD2 LYS 95 1HD LYS 95 8.214 8.758 -9.328 670 HD3 LYS 95 2HD LYS 95 9.084 10.205 -8.829 671 HE2 LYS 95 1HE LYS 95 10.368 9.101 -10.510 672 HE3 LYS 95 2HE LYS 95 11.240 9.070 -8.979 673 HZ1 LYS 95 3HZ LYS 95 11.355 6.973 -10.182 674 HZ2 LYS 95 1HZ LYS 95 9.742 6.787 -10.152 675 HZ3 LYS 95 2HZ LYS 95 10.629 6.761 -8.754 676 H ILE 96 H ILE 96 8.719 8.984 -2.654 677 HA ILE 96 HA ILE 96 8.566 11.878 -2.003 678 HB ILE 96 HB ILE 96 9.971 9.698 -0.434 679 HG12 ILE 96 1HG1 ILE 96 7.666 10.333 0.988 680 HG13 ILE 96 2HG1 ILE 96 7.067 10.214 -0.650 681 HG21 ILE 96 1HG2 ILE 96 10.658 11.977 0.101 682 HG22 ILE 96 2HG2 ILE 96 8.974 12.439 0.401 683 HG23 ILE 96 3HG2 ILE 96 9.766 11.256 1.445 684 HD11 ILE 96 3HD1 ILE 96 8.753 8.127 0.828 685 HD12 ILE 96 1HD1 ILE 96 7.025 8.017 0.539 686 HD13 ILE 96 2HD1 ILE 96 8.148 7.949 -0.834 687 H VAL 97 H VAL 97 10.230 13.214 -2.753 688 HA VAL 97 HA VAL 97 12.819 11.915 -3.449 689 HB VAL 97 HB VAL 97 11.840 14.574 -4.524 690 HG11 VAL 97 1HG1 VAL 97 13.314 14.044 -6.346 691 HG12 VAL 97 2HG1 VAL 97 14.208 13.821 -4.833 692 HG13 VAL 97 3HG1 VAL 97 13.597 12.411 -5.722 693 HG21 VAL 97 3HG2 VAL 97 9.983 13.286 -5.167 694 HG22 VAL 97 1HG2 VAL 97 11.052 13.267 -6.574 695 HG23 VAL 97 2HG2 VAL 97 10.957 11.854 -5.509 696 H GLN 98 H GLN 98 13.158 11.984 -1.032 697 HA GLN 98 HA GLN 98 13.454 14.705 0.079 698 HB2 GLN 98 1HB GLN 98 13.391 13.658 2.284 699 HB3 GLN 98 2HB GLN 98 12.000 13.206 1.318 700 HG2 GLN 98 1HG GLN 98 13.076 11.015 0.839 701 HG3 GLN 98 2HG GLN 98 14.429 11.487 1.871 702 HE21 GLN 98 1HE2 GLN 98 14.042 9.643 3.282 703 HE22 GLN 98 2HE2 GLN 98 12.694 9.680 4.415 704 HA PRO 99 HA PRO 99 17.964 14.256 0.529 705 HB2 PRO 99 1HB PRO 99 18.407 15.957 2.648 706 HB3 PRO 99 2HB PRO 99 17.990 16.530 1.014 707 HG2 PRO 99 1HG PRO 99 16.123 16.070 3.365 708 HG3 PRO 99 2HG PRO 99 16.261 17.538 2.341 709 HD2 PRO 99 1HD PRO 99 14.370 15.678 1.900 710 HD3 PRO 99 2HD PRO 99 15.179 16.482 0.531 711 H GLY 100 H GLY 100 19.428 14.202 2.829 712 HA2 GLY 100 1HA GLY 100 18.324 11.908 4.264 713 HA3 GLY 100 2HA GLY 100 19.901 11.751 3.503 714 H LYS 101 H LYS 101 19.792 11.368 6.170 715 HA LYS 101 HA LYS 101 20.412 13.937 7.566 716 HB2 LYS 101 1HB LYS 101 18.200 13.212 8.038 717 HB3 LYS 101 2HB LYS 101 18.670 11.533 8.159 718 HG2 LYS 101 1HG LYS 101 19.935 13.235 10.236 719 HG3 LYS 101 2HG LYS 101 18.180 13.295 10.258 720 HD2 LYS 101 1HD LYS 101 19.836 10.742 10.380 721 HD3 LYS 101 2HD LYS 101 19.059 11.533 11.754 722 HE2 LYS 101 1HE LYS 101 17.134 11.095 9.602 723 HE3 LYS 101 2HE LYS 101 17.967 9.581 9.968 724 HZ1 LYS 101 3HZ LYS 101 15.962 9.848 11.243 725 HZ2 LYS 101 1HZ LYS 101 16.456 11.268 11.866 726 HZ3 LYS 101 2HZ LYS 101 17.219 9.851 12.291 727 H THR 102 H THR 102 22.089 13.857 9.119 728 HA THR 102 HA THR 102 23.409 11.334 9.806 729 HB THR 102 HB THR 102 25.612 12.547 9.300 730 HG1 THR 102 1HG THR 102 24.497 14.429 8.451 731 HG21 THR 102 3HG2 THR 102 25.910 11.383 7.168 732 HG22 THR 102 1HG2 THR 102 24.149 11.228 6.976 733 HG23 THR 102 2HG2 THR 102 24.969 10.383 8.288 734 H SER 103 H SER 103 22.200 12.364 11.725 735 HA SER 103 HA SER 103 23.922 14.416 12.970 736 HB2 SER 103 1HB SER 103 20.971 14.755 12.876 737 HB3 SER 103 2HB SER 103 22.200 15.976 13.235 738 HG SER 103 HG SER 103 21.049 15.791 11.061 739 H ILE 104 H ILE 104 22.325 14.994 15.229 740 HA ILE 104 HA ILE 104 22.567 12.421 16.706 741 HB ILE 104 HB ILE 104 22.504 15.278 17.768 742 HG12 ILE 104 1HG1 ILE 104 24.859 13.360 17.411 743 HG13 ILE 104 2HG1 ILE 104 24.598 14.857 16.515 744 HG21 ILE 104 1HG2 ILE 104 21.634 13.455 19.319 745 HG22 ILE 104 2HG2 ILE 104 23.219 12.669 19.178 746 HG23 ILE 104 3HG2 ILE 104 23.052 14.282 19.924 747 HD11 ILE 104 3HD1 ILE 104 24.770 16.141 18.668 748 HD12 ILE 104 1HD1 ILE 104 25.257 14.626 19.470 749 HD13 ILE 104 2HD1 ILE 104 26.253 15.297 18.173 750 H ASP 105 H ASP 105 20.554 11.871 15.428 751 HA ASP 105 HA ASP 105 18.126 12.929 16.783 752 HB2 ASP 105 1HB ASP 105 18.399 12.251 13.828 753 HB3 ASP 105 2HB ASP 105 16.898 12.633 14.667 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -39.649 5.248 -16.545 2 HA2 GLY 1 1HA GLY 1 -39.384 7.565 -15.703 3 HA3 GLY 1 2HA GLY 1 -38.645 6.849 -14.246 4 H HIS 2 H HIS 2 -36.760 8.399 -15.089 5 HA HIS 2 HA HIS 2 -34.975 6.707 -16.735 6 HB2 HIS 2 1HB HIS 2 -35.870 8.585 -18.118 7 HB3 HIS 2 2HB HIS 2 -35.201 9.731 -16.956 8 HD1 HIS 2 1HD HIS 2 -34.086 7.272 -19.708 9 HD2 HIS 2 2HD HIS 2 -32.511 10.071 -16.967 10 HE1 HIS 2 1HE HIS 2 -31.658 7.666 -20.371 11 H MET 3 H MET 3 -34.539 5.933 -14.564 12 HA MET 3 HA MET 3 -32.139 7.092 -13.628 13 HB2 MET 3 1HB MET 3 -34.451 6.668 -11.659 14 HB3 MET 3 2HB MET 3 -32.749 6.712 -11.193 15 HG2 MET 3 1HG MET 3 -32.586 9.011 -12.203 16 HG3 MET 3 2HG MET 3 -34.340 9.001 -12.388 17 HE1 MET 3 3HE MET 3 -35.563 7.745 -9.788 18 HE2 MET 3 1HE MET 3 -35.667 9.178 -8.745 19 HE3 MET 3 2HE MET 3 -36.054 9.316 -10.474 20 H GLY 4 H GLY 4 -30.986 5.267 -12.489 21 HA2 GLY 4 1HA GLY 4 -31.210 2.762 -11.962 22 HA3 GLY 4 2HA GLY 4 -31.934 2.674 -13.585 23 H SER 5 H SER 5 -28.967 3.177 -11.758 24 HA SER 5 HA SER 5 -27.350 3.366 -14.203 25 HB2 SER 5 1HB SER 5 -26.202 5.303 -12.783 26 HB3 SER 5 2HB SER 5 -27.595 5.634 -13.820 27 HG SER 5 HG SER 5 -27.373 6.169 -11.297 28 HA PRO 6 HA PRO 6 -24.780 0.674 -11.993 29 HB2 PRO 6 1HB PRO 6 -22.196 1.370 -12.640 30 HB3 PRO 6 2HB PRO 6 -23.355 0.670 -13.812 31 HG2 PRO 6 1HG PRO 6 -22.731 3.603 -13.330 32 HG3 PRO 6 2HG PRO 6 -22.735 2.729 -14.901 33 HD2 PRO 6 1HD PRO 6 -24.875 4.163 -14.100 34 HD3 PRO 6 2HD PRO 6 -25.107 2.574 -14.894 35 H VAL 7 H VAL 7 -22.854 0.515 -10.469 36 HA VAL 7 HA VAL 7 -23.113 2.304 -8.216 37 HB VAL 7 HB VAL 7 -22.825 -0.073 -7.946 38 HG11 VAL 7 1HG1 VAL 7 -20.110 0.154 -9.310 39 HG12 VAL 7 2HG1 VAL 7 -20.756 -1.286 -8.503 40 HG13 VAL 7 3HG1 VAL 7 -21.533 -0.674 -9.960 41 HG21 VAL 7 3HG2 VAL 7 -20.960 -0.218 -6.440 42 HG22 VAL 7 1HG2 VAL 7 -20.317 1.342 -7.013 43 HG23 VAL 7 2HG2 VAL 7 -21.858 1.271 -6.160 44 H SER 8 H SER 8 -21.610 3.858 -7.559 45 HA SER 8 HA SER 8 -19.475 4.631 -9.501 46 HB2 SER 8 1HB SER 8 -20.758 6.096 -7.170 47 HB3 SER 8 2HB SER 8 -19.251 6.621 -7.960 48 HG SER 8 HG SER 8 -21.695 6.206 -9.371 49 H TYR 9 H TYR 9 -17.440 4.042 -8.930 50 HA TYR 9 HA TYR 9 -16.797 3.451 -6.076 51 HB2 TYR 9 1HB TYR 9 -15.719 2.280 -8.630 52 HB3 TYR 9 2HB TYR 9 -14.651 2.520 -7.262 53 HD1 TYR 9 2HD TYR 9 -18.199 1.256 -7.495 54 HD2 TYR 9 1HD TYR 9 -14.213 0.617 -6.193 55 HE1 TYR 9 2HE TYR 9 -18.869 -0.957 -6.566 56 HE2 TYR 9 1HE TYR 9 -14.741 -1.647 -5.329 57 HH TYR 9 HH TYR 9 -16.725 -3.332 -4.979 58 H TYR 10 H TYR 10 -14.984 4.532 -5.283 59 HA TYR 10 HA TYR 10 -14.118 6.931 -6.805 60 HB2 TYR 10 1HB TYR 10 -14.942 6.676 -3.875 61 HB3 TYR 10 2HB TYR 10 -14.217 8.080 -4.655 62 HD1 TYR 10 2HD TYR 10 -15.417 9.452 -6.262 63 HD2 TYR 10 1HD TYR 10 -17.337 6.096 -4.332 64 HE1 TYR 10 2HE TYR 10 -17.588 10.303 -6.995 65 HE2 TYR 10 1HE TYR 10 -19.544 6.995 -5.033 66 HH TYR 10 HH TYR 10 -19.861 9.873 -7.066 67 H PHE 11 H PHE 11 -12.079 6.592 -7.240 68 HA PHE 11 HA PHE 11 -10.272 5.247 -5.312 69 HB2 PHE 11 1HB PHE 11 -9.443 3.979 -7.497 70 HB3 PHE 11 2HB PHE 11 -10.708 3.370 -6.507 71 HD1 PHE 11 1HD PHE 11 -10.610 6.040 -9.284 72 HD2 PHE 11 2HD PHE 11 -12.250 2.277 -7.913 73 HE1 PHE 11 1HE PHE 11 -11.931 5.875 -11.336 74 HE2 PHE 11 2HE PHE 11 -13.596 2.138 -9.997 75 HZ PHE 11 HZ PHE 11 -13.430 3.935 -11.713 76 H SER 12 H SER 12 -10.112 7.890 -5.411 77 HA SER 12 HA SER 12 -7.408 8.219 -6.305 78 HB2 SER 12 1HB SER 12 -7.873 10.230 -7.718 79 HB3 SER 12 2HB SER 12 -8.506 8.767 -8.433 80 HG SER 12 HG SER 12 -9.911 10.948 -7.583 81 H TYR 13 H TYR 13 -7.049 10.899 -5.883 82 HA TYR 13 HA TYR 13 -7.544 11.195 -3.028 83 HB2 TYR 13 1HB TYR 13 -6.311 12.970 -5.164 84 HB3 TYR 13 2HB TYR 13 -6.624 13.533 -3.549 85 HD1 TYR 13 1HD TYR 13 -4.575 11.024 -5.486 86 HD2 TYR 13 2HD TYR 13 -5.286 12.978 -1.698 87 HE1 TYR 13 1HE TYR 13 -2.412 10.117 -4.617 88 HE2 TYR 13 2HE TYR 13 -3.220 12.045 -0.819 89 HH TYR 13 HH TYR 13 -1.381 10.773 -1.265 90 H ALA 14 H ALA 14 -8.688 13.082 -2.186 91 HA ALA 14 HA ALA 14 -11.164 13.684 -3.696 92 HB1 ALA 14 1HB ALA 14 -10.318 14.180 -0.806 93 HB2 ALA 14 2HB ALA 14 -11.897 14.586 -1.498 94 HB3 ALA 14 3HB ALA 14 -11.402 12.880 -1.375 95 H ASP 15 H ASP 15 -8.095 15.155 -2.939 96 HA ASP 15 HA ASP 15 -9.129 17.726 -3.943 97 HB2 ASP 15 1HB ASP 15 -9.085 17.224 -1.262 98 HB3 ASP 15 2HB ASP 15 -7.465 17.849 -1.439 99 H GLY 16 H GLY 16 -7.555 15.984 -5.398 100 HA2 GLY 16 1HA GLY 16 -5.409 17.761 -6.078 101 HA3 GLY 16 2HA GLY 16 -4.744 16.374 -5.213 102 H GLY 17 H GLY 17 -5.188 14.195 -6.127 103 HA2 GLY 17 1HA GLY 17 -6.060 13.963 -8.889 104 HA3 GLY 17 2HA GLY 17 -4.313 14.100 -8.754 105 H THR 18 H THR 18 -3.353 12.114 -8.837 106 HA THR 18 HA THR 18 -4.801 9.723 -7.802 107 HB THR 18 HB THR 18 -4.098 8.744 -10.151 108 HG1 THR 18 1HG THR 18 -4.451 11.513 -10.718 109 HG21 THR 18 3HG2 THR 18 -6.384 8.866 -9.361 110 HG22 THR 18 1HG2 THR 18 -6.306 9.375 -11.062 111 HG23 THR 18 2HG2 THR 18 -6.493 10.590 -9.795 112 H SER 19 H SER 19 -2.038 11.385 -7.432 113 HA SER 19 HA SER 19 -0.590 9.062 -6.526 114 HB2 SER 19 1HB SER 19 -0.009 10.589 -9.004 115 HB3 SER 19 2HB SER 19 1.327 10.639 -7.880 116 HG SER 19 HG SER 19 0.280 8.554 -9.331 117 H HIS 20 H HIS 20 1.465 9.922 -5.526 118 HA HIS 20 HA HIS 20 1.273 12.611 -4.293 119 HB2 HIS 20 1HB HIS 20 2.478 11.322 -2.296 120 HB3 HIS 20 2HB HIS 20 0.762 11.591 -2.350 121 HD1 HIS 20 1HD HIS 20 1.942 8.567 -4.400 122 HD2 HIS 20 2HD HIS 20 0.699 9.572 -0.505 123 HE1 HIS 20 1HE HIS 20 1.173 6.425 -3.318 124 H THR 21 H THR 21 3.267 13.625 -4.042 125 HA THR 21 HA THR 21 5.730 12.194 -4.369 126 HB THR 21 HB THR 21 5.182 14.393 -6.404 127 HG1 THR 21 1HG THR 21 4.600 11.727 -6.491 128 HG21 THR 21 3HG2 THR 21 7.363 12.293 -6.449 129 HG22 THR 21 1HG2 THR 21 7.602 13.828 -5.611 130 HG23 THR 21 2HG2 THR 21 7.271 13.801 -7.368 131 H GLU 22 H GLU 22 6.122 12.993 -2.229 132 HA GLU 22 HA GLU 22 6.131 15.926 -1.895 133 HB2 GLU 22 1HB GLU 22 5.647 13.780 -0.126 134 HB3 GLU 22 2HB GLU 22 7.239 14.352 0.311 135 HG2 GLU 22 1HG GLU 22 5.553 15.481 1.637 136 HG3 GLU 22 2HG GLU 22 6.363 16.634 0.576 137 H TYR 23 H TYR 23 8.032 17.095 -1.332 138 HA TYR 23 HA TYR 23 10.617 15.812 -2.032 139 HB2 TYR 23 1HB TYR 23 9.519 18.451 -3.057 140 HB3 TYR 23 2HB TYR 23 11.179 17.928 -3.231 141 HD1 TYR 23 2HD TYR 23 7.699 17.326 -4.354 142 HD2 TYR 23 1HD TYR 23 11.841 16.275 -4.844 143 HE1 TYR 23 2HE TYR 23 7.219 16.533 -6.652 144 HE2 TYR 23 1HE TYR 23 11.386 15.475 -7.154 145 HH TYR 23 HH TYR 23 9.426 16.257 -8.937 146 HA PRO 24 HA PRO 24 10.503 18.488 1.864 147 HB2 PRO 24 1HB PRO 24 11.552 16.794 3.716 148 HB3 PRO 24 2HB PRO 24 9.848 16.667 3.163 149 HG2 PRO 24 1HG PRO 24 12.263 15.169 2.119 150 HG3 PRO 24 2HG PRO 24 10.747 14.449 2.738 151 HD2 PRO 24 1HD PRO 24 11.119 14.861 0.069 152 HD3 PRO 24 2HD PRO 24 9.526 15.205 0.812 153 H ASP 25 H ASP 25 12.513 18.920 3.455 154 HA ASP 25 HA ASP 25 15.102 18.399 2.411 155 HB2 ASP 25 1HB ASP 25 14.703 20.303 0.964 156 HB3 ASP 25 2HB ASP 25 13.992 21.221 2.282 157 H ASP 26 H ASP 26 16.692 19.517 3.923 158 HA ASP 26 HA ASP 26 17.609 19.720 5.925 159 HB2 ASP 26 1HB ASP 26 16.503 21.825 6.058 160 HB3 ASP 26 2HB ASP 26 14.983 21.084 6.559 161 H SER 27 H SER 27 14.414 19.124 7.463 162 HA SER 27 HA SER 27 15.235 16.368 8.061 163 HB2 SER 27 1HB SER 27 14.661 16.925 10.455 164 HB3 SER 27 2HB SER 27 16.102 17.702 9.769 165 HG SER 27 HG SER 27 15.287 19.403 10.545 166 H SER 28 H SER 28 12.831 18.076 6.595 167 HA SER 28 HA SER 28 10.619 17.517 8.306 168 HB2 SER 28 1HB SER 28 10.482 18.332 5.420 169 HB3 SER 28 2HB SER 28 9.340 18.638 6.740 170 HG SER 28 HG SER 28 11.325 19.832 7.671 171 H ALA 29 H ALA 29 11.100 15.201 8.322 172 HA ALA 29 HA ALA 29 9.329 13.663 6.450 173 HB1 ALA 29 1HB ALA 29 10.859 11.759 6.519 174 HB2 ALA 29 2HB ALA 29 11.719 13.182 5.899 175 HB3 ALA 29 3HB ALA 29 11.969 12.641 7.578 176 H GLY 30 H GLY 30 7.631 12.789 7.622 177 HA2 GLY 30 1HA GLY 30 7.833 11.782 10.281 178 HA3 GLY 30 2HA GLY 30 7.280 13.463 10.263 179 H SER 31 H SER 31 5.151 12.614 11.030 180 HA SER 31 HA SER 31 3.805 10.806 9.089 181 HB2 SER 31 1HB SER 31 2.760 9.724 10.999 182 HB3 SER 31 2HB SER 31 4.521 9.655 11.051 183 HG SER 31 HG SER 31 4.450 11.409 12.595 184 H PHE 32 H PHE 32 2.190 11.649 8.038 185 HA PHE 32 HA PHE 32 0.223 13.333 9.468 186 HB2 PHE 32 1HB PHE 32 0.090 14.912 7.568 187 HB3 PHE 32 2HB PHE 32 1.597 14.966 8.441 188 HD1 PHE 32 1HD PHE 32 0.018 13.985 5.220 189 HD2 PHE 32 2HD PHE 32 3.725 14.330 7.425 190 HE1 PHE 32 1HE PHE 32 1.326 13.781 3.108 191 HE2 PHE 32 2HE PHE 32 4.988 14.213 5.310 192 HZ PHE 32 HZ PHE 32 3.775 13.970 3.141 193 H ILE 33 H ILE 33 -1.572 13.777 7.368 194 HA ILE 33 HA ILE 33 -2.416 11.095 6.503 195 HB ILE 33 HB ILE 33 -4.086 12.995 8.211 196 HG12 ILE 33 1HG1 ILE 33 -2.694 10.433 9.040 197 HG13 ILE 33 2HG1 ILE 33 -2.320 12.052 9.623 198 HG21 ILE 33 1HG2 ILE 33 -4.563 10.226 7.084 199 HG22 ILE 33 2HG2 ILE 33 -5.654 10.986 8.271 200 HG23 ILE 33 3HG2 ILE 33 -5.450 11.700 6.686 201 HD11 ILE 33 3HD1 ILE 33 -4.838 10.560 10.273 202 HD12 ILE 33 1HD1 ILE 33 -3.480 10.933 11.335 203 HD13 ILE 33 2HD1 ILE 33 -4.491 12.251 10.707 204 H LEU 34 H LEU 34 -3.948 11.274 4.671 205 HA LEU 34 HA LEU 34 -4.022 13.954 3.387 206 HB2 LEU 34 1HB LEU 34 -3.275 11.247 2.228 207 HB3 LEU 34 2HB LEU 34 -3.592 12.683 1.269 208 HG LEU 34 HG LEU 34 -1.375 12.431 3.337 209 HD11 LEU 34 1HD1 LEU 34 0.151 12.344 1.433 210 HD12 LEU 34 2HD1 LEU 34 -1.198 12.519 0.297 211 HD13 LEU 34 3HD1 LEU 34 -1.046 11.046 1.292 212 HD21 LEU 34 3HD2 LEU 34 -0.573 14.572 2.205 213 HD22 LEU 34 1HD2 LEU 34 -2.017 14.747 3.201 214 HD23 LEU 34 2HD2 LEU 34 -2.168 14.662 1.443 215 H ASP 35 H ASP 35 -5.461 13.709 1.293 216 HA ASP 35 HA ASP 35 -8.117 13.041 2.458 217 HB2 ASP 35 1HB ASP 35 -7.298 15.160 0.440 218 HB3 ASP 35 2HB ASP 35 -8.937 14.854 1.031 219 H ILE 36 H ILE 36 -8.440 10.976 1.698 220 HA ILE 36 HA ILE 36 -8.048 10.464 -1.209 221 HB ILE 36 HB ILE 36 -7.156 8.966 1.261 222 HG12 ILE 36 1HG1 ILE 36 -5.551 9.564 -1.254 223 HG13 ILE 36 2HG1 ILE 36 -5.777 10.809 -0.048 224 HG21 ILE 36 1HG2 ILE 36 -6.382 7.116 -0.269 225 HG22 ILE 36 2HG2 ILE 36 -8.127 7.200 -0.054 226 HG23 ILE 36 3HG2 ILE 36 -7.399 7.822 -1.551 227 HD11 ILE 36 3HD1 ILE 36 -3.664 9.726 0.281 228 HD12 ILE 36 1HD1 ILE 36 -4.722 9.484 1.669 229 HD13 ILE 36 2HD1 ILE 36 -4.456 8.147 0.516 230 H THR 37 H THR 37 -9.439 8.948 -2.185 231 HA THR 37 HA THR 37 -11.937 8.396 -0.666 232 HB THR 37 HB THR 37 -12.159 8.218 -3.574 233 HG1 THR 37 1HG THR 37 -10.681 9.960 -3.526 234 HG21 THR 37 3HG2 THR 37 -14.137 9.672 -3.090 235 HG22 THR 37 1HG2 THR 37 -13.548 9.905 -1.440 236 HG23 THR 37 2HG2 THR 37 -14.035 8.284 -1.988 237 H SER 38 H SER 38 -12.582 6.316 -0.455 238 HA SER 38 HA SER 38 -11.301 4.145 -1.986 239 HB2 SER 38 1HB SER 38 -9.784 4.845 -0.093 240 HB3 SER 38 2HB SER 38 -11.092 4.462 1.033 241 HG SER 38 HG SER 38 -10.390 2.570 0.994 242 H TYR 39 H TYR 39 -13.934 4.808 -2.285 243 HA TYR 39 HA TYR 39 -15.381 2.768 -0.722 244 HB2 TYR 39 1HB TYR 39 -17.104 4.189 0.101 245 HB3 TYR 39 2HB TYR 39 -15.571 4.756 0.687 246 HD1 TYR 39 1HD TYR 39 -18.369 5.485 -1.668 247 HD2 TYR 39 2HD TYR 39 -14.901 7.049 0.358 248 HE1 TYR 39 1HE TYR 39 -19.113 7.799 -2.198 249 HE2 TYR 39 2HE TYR 39 -15.652 9.335 -0.120 250 HH TYR 39 HH TYR 39 -18.539 10.063 -2.107 251 H LYS 40 H LYS 40 -17.671 2.531 -1.440 252 HA LYS 40 HA LYS 40 -18.026 3.247 -4.311 253 HB2 LYS 40 1HB LYS 40 -19.183 1.305 -4.730 254 HB3 LYS 40 2HB LYS 40 -17.654 0.804 -4.035 255 HG2 LYS 40 1HG LYS 40 -18.672 -0.020 -2.048 256 HG3 LYS 40 2HG LYS 40 -20.095 1.011 -2.214 257 HD2 LYS 40 1HD LYS 40 -20.550 -0.292 -4.388 258 HD3 LYS 40 2HD LYS 40 -19.497 -1.540 -3.724 259 HE2 LYS 40 1HE LYS 40 -21.988 -0.329 -2.404 260 HE3 LYS 40 2HE LYS 40 -21.994 -1.784 -3.401 261 HZ1 LYS 40 3HZ LYS 40 -21.938 -2.363 -1.136 262 HZ2 LYS 40 1HZ LYS 40 -20.520 -1.538 -0.858 263 HZ3 LYS 40 2HZ LYS 40 -20.595 -2.875 -1.840 264 H LYS 41 H LYS 41 -20.231 3.693 -4.878 265 HA LYS 41 HA LYS 41 -22.148 4.281 -2.662 266 HB2 LYS 41 1HB LYS 41 -20.820 6.313 -3.408 267 HB3 LYS 41 2HB LYS 41 -21.523 6.096 -5.032 268 HG2 LYS 41 1HG LYS 41 -23.781 6.363 -4.057 269 HG3 LYS 41 2HG LYS 41 -23.051 6.559 -2.457 270 HD2 LYS 41 1HD LYS 41 -21.698 8.502 -3.584 271 HD3 LYS 41 2HD LYS 41 -22.924 8.427 -4.854 272 HE2 LYS 41 1HE LYS 41 -23.510 8.618 -1.870 273 HE3 LYS 41 2HE LYS 41 -23.379 10.050 -2.908 274 HZ1 LYS 41 3HZ LYS 41 -25.308 9.199 -4.170 275 HZ2 LYS 41 1HZ LYS 41 -25.674 9.434 -2.609 276 HZ3 LYS 41 2HZ LYS 41 -25.425 7.912 -3.152 277 H THR 42 H THR 42 -24.269 3.782 -3.213 278 HA THR 42 HA THR 42 -25.348 3.611 -5.750 279 HB THR 42 HB THR 42 -23.951 1.785 -6.317 280 HG1 THR 42 1HG THR 42 -25.944 1.375 -7.044 281 HG21 THR 42 3HG2 THR 42 -23.772 -0.322 -5.091 282 HG22 THR 42 1HG2 THR 42 -24.790 0.332 -3.794 283 HG23 THR 42 2HG2 THR 42 -23.175 1.020 -4.101 284 H GLY 43 H GLY 43 -27.554 3.143 -5.574 285 HA2 GLY 43 1HA GLY 43 -29.595 2.906 -4.627 286 HA3 GLY 43 2HA GLY 43 -28.857 1.786 -3.472 287 H ASN 44 H ASN 44 -28.429 2.485 -1.420 288 HA ASN 44 HA ASN 44 -28.985 5.302 -0.672 289 HB2 ASN 44 1HB ASN 44 -31.115 3.879 -0.689 290 HB3 ASN 44 2HB ASN 44 -30.414 2.978 0.667 291 HD21 ASN 44 1HD2 ASN 44 -31.133 3.847 2.707 292 HD22 ASN 44 2HD2 ASN 44 -31.477 5.540 2.937 293 H SER 45 H SER 45 -26.467 3.840 -0.708 294 HA SER 45 HA SER 45 -25.684 4.453 2.010 295 HB2 SER 45 1HB SER 45 -24.933 1.700 0.941 296 HB3 SER 45 2HB SER 45 -24.630 2.365 2.547 297 HG SER 45 HG SER 45 -27.153 2.497 2.399 298 H THR 46 H THR 46 -23.195 4.066 2.186 299 HA THR 46 HA THR 46 -21.805 3.930 -0.295 300 HB THR 46 HB THR 46 -19.984 5.345 0.999 301 HG1 THR 46 1HG THR 46 -22.391 6.515 1.978 302 HG21 THR 46 3HG2 THR 46 -22.348 6.741 -0.309 303 HG22 THR 46 1HG2 THR 46 -20.933 6.042 -1.138 304 HG23 THR 46 2HG2 THR 46 -20.730 7.429 -0.060 305 H LYS 47 H LYS 47 -19.847 2.797 0.168 306 HA LYS 47 HA LYS 47 -19.555 1.510 2.803 307 HB2 LYS 47 1HB LYS 47 -20.912 -0.095 1.274 308 HB3 LYS 47 2HB LYS 47 -19.427 -0.241 0.323 309 HG2 LYS 47 1HG LYS 47 -18.335 -0.802 2.704 310 HG3 LYS 47 2HG LYS 47 -19.996 -1.087 3.174 311 HD2 LYS 47 1HD LYS 47 -19.302 -3.213 2.584 312 HD3 LYS 47 2HD LYS 47 -20.082 -2.691 1.104 313 HE2 LYS 47 1HE LYS 47 -18.129 -3.053 -0.039 314 HE3 LYS 47 2HE LYS 47 -17.336 -1.821 0.962 315 HZ1 LYS 47 3HZ LYS 47 -17.514 -4.702 1.535 316 HZ2 LYS 47 1HZ LYS 47 -16.942 -3.596 2.609 317 HZ3 LYS 47 2HZ LYS 47 -16.157 -3.899 1.194 318 H ALA 48 H ALA 48 -17.449 1.751 3.359 319 HA ALA 48 HA ALA 48 -15.403 2.522 1.442 320 HB1 ALA 48 1HB ALA 48 -15.257 1.630 4.355 321 HB2 ALA 48 2HB ALA 48 -13.873 2.176 3.388 322 HB3 ALA 48 3HB ALA 48 -15.197 3.291 3.719 323 H LEU 49 H LEU 49 -13.516 1.257 1.051 324 HA LEU 49 HA LEU 49 -13.725 -1.704 1.387 325 HB2 LEU 49 1HB LEU 49 -12.309 -0.017 -0.728 326 HB3 LEU 49 2HB LEU 49 -11.955 -1.700 -0.444 327 HG LEU 49 HG LEU 49 -13.291 -1.756 -2.256 328 HD11 LEU 49 1HD1 LEU 49 -14.014 -3.426 -0.653 329 HD12 LEU 49 2HD1 LEU 49 -15.348 -2.910 -1.695 330 HD13 LEU 49 3HD1 LEU 49 -15.253 -2.310 -0.032 331 HD21 LEU 49 3HD2 LEU 49 -15.551 -0.105 -1.120 332 HD22 LEU 49 1HD2 LEU 49 -15.251 -0.604 -2.813 333 HD23 LEU 49 2HD2 LEU 49 -14.224 0.625 -2.036 334 H SER 50 H SER 50 -10.899 -2.034 1.066 335 HA SER 50 HA SER 50 -9.620 -0.382 3.152 336 HB2 SER 50 1HB SER 50 -9.407 -3.409 2.893 337 HB3 SER 50 2HB SER 50 -8.518 -2.388 4.041 338 HG SER 50 HG SER 50 -11.199 -3.186 3.955 339 H TRP 51 H TRP 51 -7.048 -0.891 2.907 340 HA TRP 51 HA TRP 51 -6.326 -1.796 0.256 341 HB2 TRP 51 1HB TRP 51 -5.228 0.204 -0.448 342 HB3 TRP 51 2HB TRP 51 -6.884 0.604 -0.180 343 HD1 TRP 51 HD TRP 51 -3.348 1.329 0.742 344 HE1 TRP 51 1HE TRP 51 -3.262 3.711 1.683 345 HE3 TRP 51 3HE TRP 51 -8.319 2.005 1.750 346 HZ2 TRP 51 2HZ TRP 51 -5.167 5.806 2.315 347 HZ3 TRP 51 3HZ TRP 51 -9.140 4.271 2.463 348 HH2 TRP 51 HH TRP 51 -7.566 6.136 2.693 349 H ASN 52 H ASN 52 -3.857 -1.485 -0.040 350 HA ASN 52 HA ASN 52 -2.324 -1.350 2.426 351 HB2 ASN 52 1HB ASN 52 -2.838 -3.933 1.029 352 HB3 ASN 52 2HB ASN 52 -1.135 -3.575 1.253 353 HD21 ASN 52 1HD2 ASN 52 -4.114 -4.328 2.916 354 HD22 ASN 52 2HD2 ASN 52 -3.421 -4.463 4.525 355 H ALA 53 H ALA 53 0.119 -1.668 1.747 356 HA ALA 53 HA ALA 53 0.829 -0.544 -0.820 357 HB1 ALA 53 1HB ALA 53 1.768 1.514 0.188 358 HB2 ALA 53 2HB ALA 53 0.032 1.441 0.566 359 HB3 ALA 53 3HB ALA 53 1.220 0.971 1.794 360 H SER 54 H SER 54 3.284 -0.332 -0.878 361 HA SER 54 HA SER 54 5.014 -1.192 1.108 362 HB2 SER 54 1HB SER 54 5.524 -3.557 0.451 363 HB3 SER 54 2HB SER 54 3.963 -3.383 1.224 364 HG SER 54 HG SER 54 4.616 -4.231 -1.247 365 H GLY 55 H GLY 55 7.233 -1.738 0.291 366 HA2 GLY 55 1HA GLY 55 8.028 -1.802 -2.368 367 HA3 GLY 55 2HA GLY 55 7.915 -0.105 -1.959 368 H ASP 56 H ASP 56 8.969 0.607 -0.008 369 HA ASP 56 HA ASP 56 11.705 -0.504 0.107 370 HB2 ASP 56 1HB ASP 56 10.812 1.968 -0.570 371 HB3 ASP 56 2HB ASP 56 11.076 2.229 1.164 372 H SER 57 H SER 57 12.615 0.810 2.478 373 HA SER 57 HA SER 57 11.021 -0.491 4.672 374 HB2 SER 57 1HB SER 57 13.056 -1.153 5.730 375 HB3 SER 57 2HB SER 57 13.081 -1.693 4.046 376 HG SER 57 HG SER 57 14.561 0.305 5.328 377 H TRP 58 H TRP 58 11.345 2.501 3.655 378 HA TRP 58 HA TRP 58 11.595 3.666 6.391 379 HB2 TRP 58 1HB TRP 58 12.759 5.573 5.347 380 HB3 TRP 58 2HB TRP 58 13.675 4.080 5.293 381 HD1 TRP 58 HD TRP 58 13.811 2.807 2.918 382 HE1 TRP 58 1HE TRP 58 13.942 3.726 0.522 383 HE3 TRP 58 3HE TRP 58 11.697 7.430 3.636 384 HZ2 TRP 58 2HZ TRP 58 13.528 6.191 -0.820 385 HZ3 TRP 58 3HZ TRP 58 11.513 9.005 1.759 386 HH2 TRP 58 HH TRP 58 12.486 8.457 -0.468 387 H ILE 59 H ILE 59 9.201 2.838 4.923 388 HA ILE 59 HA ILE 59 7.901 5.466 4.525 389 HB ILE 59 HB ILE 59 7.835 3.207 2.484 390 HG12 ILE 59 1HG1 ILE 59 8.953 6.052 2.277 391 HG13 ILE 59 2HG1 ILE 59 9.938 4.599 2.414 392 HG21 ILE 59 1HG2 ILE 59 6.368 4.828 1.220 393 HG22 ILE 59 2HG2 ILE 59 5.646 4.332 2.748 394 HG23 ILE 59 3HG2 ILE 59 6.435 5.904 2.637 395 HD11 ILE 59 3HD1 ILE 59 9.177 3.756 0.307 396 HD12 ILE 59 1HD1 ILE 59 8.172 5.212 0.045 397 HD13 ILE 59 2HD1 ILE 59 9.932 5.354 0.168 398 H HIS 60 H HIS 60 7.141 5.087 6.513 399 HA HIS 60 HA HIS 60 5.517 2.865 7.414 400 HB2 HIS 60 1HB HIS 60 5.405 5.811 8.047 401 HB3 HIS 60 2HB HIS 60 4.336 4.651 8.806 402 HD1 HIS 60 1HD HIS 60 5.726 2.699 10.374 403 HD2 HIS 60 2HD HIS 60 7.534 6.362 9.390 404 HE1 HIS 60 1HE HIS 60 7.465 3.133 12.176 405 H VAL 61 H VAL 61 3.569 2.213 6.454 406 HA VAL 61 HA VAL 61 1.743 4.438 5.632 407 HB VAL 61 HB VAL 61 1.596 1.589 4.564 408 HG11 VAL 61 1HG1 VAL 61 0.204 2.702 2.810 409 HG12 VAL 61 2HG1 VAL 61 -0.471 2.892 4.424 410 HG13 VAL 61 3HG1 VAL 61 0.410 4.232 3.670 411 HG21 VAL 61 3HG2 VAL 61 3.693 2.280 3.697 412 HG22 VAL 61 1HG2 VAL 61 2.556 2.637 2.395 413 HG23 VAL 61 2HG2 VAL 61 3.138 3.940 3.435 414 H ASN 62 H ASN 62 -0.433 4.170 6.486 415 HA ASN 62 HA ASN 62 -0.998 1.672 7.890 416 HB2 ASN 62 1HB ASN 62 -0.626 4.136 9.364 417 HB3 ASN 62 2HB ASN 62 -2.342 3.735 9.381 418 HD21 ASN 62 1HD2 ASN 62 0.909 2.244 9.851 419 HD22 ASN 62 2HD2 ASN 62 0.382 1.116 11.071 420 H GLY 63 H GLY 63 -3.492 1.654 8.283 421 HA2 GLY 63 1HA GLY 63 -4.709 1.476 5.857 422 HA3 GLY 63 2HA GLY 63 -5.604 1.742 7.353 423 H SER 64 H SER 64 -5.106 4.323 8.057 424 HA SER 64 HA SER 64 -5.705 6.007 5.659 425 HB2 SER 64 1HB SER 64 -6.852 6.139 8.469 426 HB3 SER 64 2HB SER 64 -7.195 7.266 7.166 427 HG SER 64 HG SER 64 -8.797 5.849 7.076 428 H SER 65 H SER 65 -2.982 5.680 6.481 429 HA SER 65 HA SER 65 -2.382 8.385 7.478 430 HB2 SER 65 1HB SER 65 -2.222 6.021 9.128 431 HB3 SER 65 2HB SER 65 -0.590 6.599 8.837 432 HG SER 65 HG SER 65 -2.088 7.410 10.632 433 H VAL 66 H VAL 66 -0.062 8.912 7.222 434 HA VAL 66 HA VAL 66 1.478 7.228 5.383 435 HB VAL 66 HB VAL 66 0.120 8.669 3.961 436 HG11 VAL 66 1HG1 VAL 66 -0.518 10.476 5.352 437 HG12 VAL 66 2HG1 VAL 66 1.171 11.030 5.528 438 HG13 VAL 66 3HG1 VAL 66 0.348 11.134 3.965 439 HG21 VAL 66 3HG2 VAL 66 2.971 9.680 4.054 440 HG22 VAL 66 1HG2 VAL 66 2.363 8.229 3.213 441 HG23 VAL 66 2HG2 VAL 66 1.833 9.840 2.696 442 H SER 67 H SER 67 3.748 7.439 5.791 443 HA SER 67 HA SER 67 4.687 9.879 6.891 444 HB2 SER 67 1HB SER 67 5.840 7.712 8.543 445 HB3 SER 67 2HB SER 67 5.391 9.320 8.985 446 HG SER 67 HG SER 67 3.136 8.490 8.823 447 H TYR 68 H TYR 68 7.190 9.761 7.017 448 HA TYR 68 HA TYR 68 8.362 7.501 5.556 449 HB2 TYR 68 1HB TYR 68 9.350 10.151 4.599 450 HB3 TYR 68 2HB TYR 68 9.148 8.650 3.738 451 HD1 TYR 68 2HD TYR 68 6.793 8.057 2.837 452 HD2 TYR 68 1HD TYR 68 7.730 11.879 4.581 453 HE1 TYR 68 2HE TYR 68 4.722 9.003 1.846 454 HE2 TYR 68 1HE TYR 68 5.740 12.861 3.507 455 HH TYR 68 HH TYR 68 3.481 10.990 1.454 456 H ASP 69 H ASP 69 10.574 7.361 6.129 457 HA ASP 69 HA ASP 69 11.473 9.290 8.235 458 HB2 ASP 69 1HB ASP 69 11.831 6.308 7.894 459 HB3 ASP 69 2HB ASP 69 13.077 7.247 8.728 460 H GLU 70 H GLU 70 13.649 9.918 8.302 461 HA GLU 70 HA GLU 70 14.772 10.348 5.649 462 HB2 GLU 70 1HB GLU 70 15.344 11.329 8.436 463 HB3 GLU 70 2HB GLU 70 16.688 11.274 7.280 464 HG2 GLU 70 1HG GLU 70 15.182 12.439 5.603 465 HG3 GLU 70 2HG GLU 70 14.078 12.712 6.924 466 H ASN 71 H ASN 71 17.159 10.119 5.486 467 HA ASN 71 HA ASN 71 17.834 7.261 6.067 468 HB2 ASN 71 1HB ASN 71 18.451 6.855 3.966 469 HB3 ASN 71 2HB ASN 71 17.367 8.174 3.572 470 HD21 ASN 71 1HD2 ASN 71 18.419 10.398 3.314 471 HD22 ASN 71 2HD2 ASN 71 20.036 10.359 2.602 472 HA PRO 72 HA PRO 72 21.153 8.608 8.313 473 HB2 PRO 72 1HB PRO 72 22.807 6.477 8.451 474 HB3 PRO 72 2HB PRO 72 21.085 6.329 8.906 475 HG2 PRO 72 1HG PRO 72 22.315 5.683 6.195 476 HG3 PRO 72 2HG PRO 72 21.306 4.618 7.226 477 HD2 PRO 72 1HD PRO 72 20.223 6.094 5.233 478 HD3 PRO 72 2HD PRO 72 19.361 5.830 6.784 479 H ALA 73 H ALA 73 21.796 8.404 4.973 480 HA ALA 73 HA ALA 73 24.583 9.423 5.323 481 HB1 ALA 73 1HB ALA 73 25.054 8.505 3.075 482 HB2 ALA 73 2HB ALA 73 24.520 7.224 4.189 483 HB3 ALA 73 3HB ALA 73 23.387 7.876 2.981 484 H LYS 74 H LYS 74 25.213 10.942 3.489 485 HA LYS 74 HA LYS 74 23.205 12.995 3.321 486 HB2 LYS 74 1HB LYS 74 26.063 12.759 2.220 487 HB3 LYS 74 2HB LYS 74 25.131 14.250 2.168 488 HG2 LYS 74 1HG LYS 74 25.806 12.752 4.715 489 HG3 LYS 74 2HG LYS 74 26.773 14.065 4.213 490 HD2 LYS 74 1HD LYS 74 23.813 14.225 4.816 491 HD3 LYS 74 2HD LYS 74 25.098 14.649 5.948 492 HE2 LYS 74 1HE LYS 74 25.991 16.197 4.306 493 HE3 LYS 74 2HE LYS 74 24.606 15.860 3.259 494 HZ1 LYS 74 3HZ LYS 74 24.360 17.894 4.582 495 HZ2 LYS 74 1HZ LYS 74 24.398 17.074 5.988 496 HZ3 LYS 74 2HZ LYS 74 23.140 16.866 4.921 497 H GLU 75 H GLU 75 23.351 10.314 1.622 498 HA GLU 75 HA GLU 75 23.232 11.094 -1.117 499 HB2 GLU 75 1HB GLU 75 21.892 8.772 0.328 500 HB3 GLU 75 2HB GLU 75 21.991 8.926 -1.430 501 HG2 GLU 75 1HG GLU 75 24.458 8.847 -1.352 502 HG3 GLU 75 2HG GLU 75 24.388 8.741 0.406 503 H ARG 76 H ARG 76 21.435 11.561 -2.352 504 HA ARG 76 HA ARG 76 18.917 12.333 -0.982 505 HB2 ARG 76 1HB ARG 76 19.911 13.652 -2.954 506 HB3 ARG 76 2HB ARG 76 19.491 12.275 -3.984 507 HG2 ARG 76 1HG ARG 76 17.111 12.488 -3.346 508 HG3 ARG 76 2HG ARG 76 17.555 13.843 -2.280 509 HD2 ARG 76 1HD ARG 76 17.816 13.869 -5.270 510 HD3 ARG 76 2HD ARG 76 16.558 14.682 -4.320 511 HE ARG 76 HE ARG 76 19.406 15.341 -4.546 512 HH11 ARG 76 1HH1 ARG 76 16.315 16.363 -3.063 513 HH12 ARG 76 2HH1 ARG 76 17.052 17.642 -2.181 514 HH21 ARG 76 1HH2 ARG 76 20.330 17.022 -3.389 515 HH22 ARG 76 2HH2 ARG 76 19.378 18.001 -2.327 516 H ARG 77 H ARG 77 17.128 11.028 -1.058 517 HA ARG 77 HA ARG 77 17.474 8.314 -2.252 518 HB2 ARG 77 1HB ARG 77 16.560 9.165 0.528 519 HB3 ARG 77 2HB ARG 77 16.014 7.646 -0.162 520 HG2 ARG 77 1HG ARG 77 18.973 8.368 0.128 521 HG3 ARG 77 2HG ARG 77 18.028 7.451 1.320 522 HD2 ARG 77 1HD ARG 77 17.432 5.791 -0.389 523 HD3 ARG 77 2HD ARG 77 18.463 6.618 -1.576 524 HE ARG 77 HE ARG 77 20.165 6.074 0.531 525 HH11 ARG 77 1HH1 ARG 77 18.057 4.251 -1.661 526 HH12 ARG 77 2HH1 ARG 77 19.022 2.808 -1.663 527 HH21 ARG 77 1HH2 ARG 77 21.347 4.081 0.726 528 HH22 ARG 77 2HH2 ARG 77 20.817 2.656 -0.109 529 H THR 78 H THR 78 15.884 7.581 -3.422 530 HA THR 78 HA THR 78 13.386 9.159 -3.594 531 HB THR 78 HB THR 78 15.186 8.008 -5.733 532 HG1 THR 78 1HG THR 78 15.584 10.086 -6.019 533 HG21 THR 78 3HG2 THR 78 12.915 7.426 -6.427 534 HG22 THR 78 1HG2 THR 78 13.488 8.810 -7.362 535 HG23 THR 78 2HG2 THR 78 12.333 9.055 -6.013 536 H GLY 79 H GLY 79 11.830 7.989 -2.681 537 HA2 GLY 79 1HA GLY 79 11.978 5.046 -2.491 538 HA3 GLY 79 2HA GLY 79 10.731 6.109 -1.805 539 H LEU 80 H LEU 80 9.996 3.756 -3.149 540 HA LEU 80 HA LEU 80 8.254 4.997 -5.128 541 HB2 LEU 80 1HB LEU 80 10.474 4.217 -6.308 542 HB3 LEU 80 2HB LEU 80 9.792 2.603 -6.098 543 HG LEU 80 HG LEU 80 7.648 3.494 -7.181 544 HD11 LEU 80 1HD1 LEU 80 9.442 5.925 -7.500 545 HD12 LEU 80 2HD1 LEU 80 7.720 5.849 -7.067 546 HD13 LEU 80 3HD1 LEU 80 8.232 5.584 -8.733 547 HD21 LEU 80 3HD2 LEU 80 9.290 2.122 -8.413 548 HD22 LEU 80 1HD2 LEU 80 10.240 3.567 -8.814 549 HD23 LEU 80 2HD2 LEU 80 8.611 3.353 -9.492 550 H VAL 81 H VAL 81 7.060 4.288 -3.123 551 HA VAL 81 HA VAL 81 6.444 1.414 -3.012 552 HB VAL 81 HB VAL 81 5.524 3.805 -1.378 553 HG11 VAL 81 1HG1 VAL 81 3.480 2.665 -1.456 554 HG12 VAL 81 2HG1 VAL 81 4.267 1.116 -1.172 555 HG13 VAL 81 3HG1 VAL 81 4.234 2.340 0.112 556 HG21 VAL 81 3HG2 VAL 81 7.723 2.648 -0.927 557 HG22 VAL 81 1HG2 VAL 81 6.599 2.681 0.446 558 HG23 VAL 81 2HG2 VAL 81 6.785 1.212 -0.494 559 H THR 82 H THR 82 4.453 0.490 -3.540 560 HA THR 82 HA THR 82 2.659 2.160 -5.258 561 HB THR 82 HB THR 82 2.605 -0.822 -5.395 562 HG1 THR 82 1HG THR 82 4.358 -1.067 -6.290 563 HG21 THR 82 3HG2 THR 82 2.148 1.395 -7.427 564 HG22 THR 82 1HG2 THR 82 0.924 0.359 -6.640 565 HG23 THR 82 2HG2 THR 82 2.050 -0.342 -7.786 566 H LEU 83 H LEU 83 0.344 1.177 -5.212 567 HA LEU 83 HA LEU 83 -0.388 -0.026 -2.668 568 HB2 LEU 83 1HB LEU 83 -1.756 2.478 -3.798 569 HB3 LEU 83 2HB LEU 83 -2.226 1.580 -2.351 570 HG LEU 83 HG LEU 83 0.262 2.168 -1.610 571 HD11 LEU 83 1HD1 LEU 83 -0.302 4.731 -3.028 572 HD12 LEU 83 2HD1 LEU 83 0.745 3.500 -3.766 573 HD13 LEU 83 3HD1 LEU 83 1.167 4.207 -2.203 574 HD21 LEU 83 3HD2 LEU 83 -1.780 2.756 -0.403 575 HD22 LEU 83 1HD2 LEU 83 -1.865 4.257 -1.383 576 HD23 LEU 83 2HD2 LEU 83 -0.487 3.954 -0.289 577 H LYS 84 H LYS 84 -2.687 -0.894 -2.807 578 HA LYS 84 HA LYS 84 -4.129 -0.818 -5.339 579 HB2 LYS 84 1HB LYS 84 -2.551 -2.966 -5.347 580 HB3 LYS 84 2HB LYS 84 -3.740 -3.589 -4.195 581 HG2 LYS 84 1HG LYS 84 -5.504 -2.817 -5.973 582 HG3 LYS 84 2HG LYS 84 -4.137 -2.685 -7.077 583 HD2 LYS 84 1HD LYS 84 -3.739 -5.126 -6.756 584 HD3 LYS 84 2HD LYS 84 -5.086 -5.165 -5.580 585 HE2 LYS 84 1HE LYS 84 -6.626 -4.305 -7.342 586 HE3 LYS 84 2HE LYS 84 -5.307 -4.362 -8.518 587 HZ1 LYS 84 3HZ LYS 84 -6.695 -6.261 -8.691 588 HZ2 LYS 84 1HZ LYS 84 -6.528 -6.669 -7.125 589 HZ3 LYS 84 2HZ LYS 84 -5.228 -6.781 -8.131 590 H GLN 85 H GLN 85 -6.387 -2.237 -4.664 591 HA GLN 85 HA GLN 85 -7.103 -1.265 -1.973 592 HB2 GLN 85 1HB GLN 85 -7.525 0.423 -3.815 593 HB3 GLN 85 2HB GLN 85 -8.675 -0.697 -4.529 594 HG2 GLN 85 1HG GLN 85 -10.235 -0.387 -2.724 595 HG3 GLN 85 2HG GLN 85 -8.979 0.279 -1.673 596 HE21 GLN 85 1HE2 GLN 85 -11.557 1.263 -3.800 597 HE22 GLN 85 2HE2 GLN 85 -11.032 2.893 -4.018 598 H ASP 86 H ASP 86 -9.088 -2.346 -1.260 599 HA ASP 86 HA ASP 86 -8.728 -4.999 -1.253 600 HB2 ASP 86 1HB ASP 86 -10.136 -3.521 0.277 601 HB3 ASP 86 2HB ASP 86 -11.483 -3.785 -0.839 602 H GLU 87 H GLU 87 -11.539 -3.613 -2.964 603 HA GLU 87 HA GLU 87 -11.727 -6.019 -4.711 604 HB2 GLU 87 1HB GLU 87 -13.571 -3.629 -4.267 605 HB3 GLU 87 2HB GLU 87 -13.880 -4.961 -5.392 606 HG2 GLU 87 1HG GLU 87 -13.899 -6.563 -3.507 607 HG3 GLU 87 2HG GLU 87 -13.571 -5.249 -2.363 608 H SER 88 H SER 88 -10.939 -2.604 -4.788 609 HA SER 88 HA SER 88 -10.983 -2.526 -7.719 610 HB2 SER 88 1HB SER 88 -10.734 -0.323 -5.683 611 HB3 SER 88 2HB SER 88 -10.856 -0.110 -7.447 612 HG SER 88 HG SER 88 -12.758 -1.247 -7.452 613 H GLY 89 H GLY 89 -8.994 -0.359 -8.049 614 HA2 GLY 89 1HA GLY 89 -6.444 -1.361 -7.104 615 HA3 GLY 89 2HA GLY 89 -6.735 -1.419 -8.849 616 H LYS 90 H LYS 90 -7.264 0.796 -6.022 617 HA LYS 90 HA LYS 90 -6.264 3.147 -7.487 618 HB2 LYS 90 1HB LYS 90 -6.801 2.497 -4.579 619 HB3 LYS 90 2HB LYS 90 -5.517 3.662 -5.016 620 HG2 LYS 90 1HG LYS 90 -7.524 4.607 -6.477 621 HG3 LYS 90 2HG LYS 90 -8.455 3.919 -5.148 622 HD2 LYS 90 1HD LYS 90 -6.373 6.120 -5.123 623 HD3 LYS 90 2HD LYS 90 -8.035 6.233 -4.597 624 HE2 LYS 90 1HE LYS 90 -5.958 4.614 -3.136 625 HE3 LYS 90 2HE LYS 90 -6.296 6.307 -2.797 626 HZ1 LYS 90 3HZ LYS 90 -8.567 5.683 -2.228 627 HZ2 LYS 90 1HZ LYS 90 -7.471 4.761 -1.359 628 HZ3 LYS 90 2HZ LYS 90 -8.254 4.114 -2.605 629 H THR 91 H THR 91 -4.537 2.350 -8.599 630 HA THR 91 HA THR 91 -2.178 1.537 -6.979 631 HB THR 91 HB THR 91 -1.055 1.274 -9.139 632 HG1 THR 91 1HG THR 91 -2.646 2.498 -10.352 633 HG21 THR 91 3HG2 THR 91 -3.535 -0.488 -8.786 634 HG22 THR 91 1HG2 THR 91 -1.992 -0.691 -7.934 635 HG23 THR 91 2HG2 THR 91 -2.052 -0.928 -9.663 636 H LEU 92 H LEU 92 -1.415 3.194 -6.114 637 HA LEU 92 HA LEU 92 -1.211 5.842 -7.486 638 HB2 LEU 92 1HB LEU 92 -1.704 5.001 -4.635 639 HB3 LEU 92 2HB LEU 92 -0.520 6.276 -4.880 640 HG LEU 92 HG LEU 92 -2.096 7.716 -5.914 641 HD11 LEU 92 1HD1 LEU 92 -4.194 5.537 -5.636 642 HD12 LEU 92 2HD1 LEU 92 -3.555 6.172 -7.170 643 HD13 LEU 92 3HD1 LEU 92 -4.515 7.227 -6.136 644 HD21 LEU 92 3HD2 LEU 92 -3.045 6.432 -3.344 645 HD22 LEU 92 1HD2 LEU 92 -3.667 7.966 -4.011 646 HD23 LEU 92 2HD2 LEU 92 -1.959 7.794 -3.539 647 H SER 93 H SER 93 0.963 6.783 -7.261 648 HA SER 93 HA SER 93 3.096 4.790 -6.690 649 HB2 SER 93 1HB SER 93 3.117 7.127 -8.640 650 HB3 SER 93 2HB SER 93 4.353 5.884 -8.419 651 HG SER 93 HG SER 93 2.748 5.662 -10.240 652 H LEU 94 H LEU 94 4.332 5.343 -4.989 653 HA LEU 94 HA LEU 94 4.079 8.070 -3.786 654 HB2 LEU 94 1HB LEU 94 3.275 6.259 -2.346 655 HB3 LEU 94 2HB LEU 94 4.735 5.356 -2.608 656 HG LEU 94 HG LEU 94 6.042 6.743 -1.240 657 HD11 LEU 94 1HD1 LEU 94 3.844 8.865 -1.310 658 HD12 LEU 94 2HD1 LEU 94 5.447 9.009 -2.049 659 HD13 LEU 94 3HD1 LEU 94 5.309 8.924 -0.313 660 HD21 LEU 94 3HD2 LEU 94 4.321 5.390 -0.024 661 HD22 LEU 94 1HD2 LEU 94 3.264 6.832 -0.005 662 HD23 LEU 94 2HD2 LEU 94 4.819 6.840 0.865 663 H LYS 95 H LYS 95 5.638 9.102 -4.899 664 HA LYS 95 HA LYS 95 8.437 8.054 -4.754 665 HB2 LYS 95 1HB LYS 95 7.742 8.314 -6.986 666 HB3 LYS 95 2HB LYS 95 6.992 9.891 -6.681 667 HG2 LYS 95 1HG LYS 95 9.166 10.921 -6.378 668 HG3 LYS 95 2HG LYS 95 9.990 9.371 -6.514 669 HD2 LYS 95 1HD LYS 95 8.172 10.519 -8.700 670 HD3 LYS 95 2HD LYS 95 9.869 10.938 -8.598 671 HE2 LYS 95 1HE LYS 95 8.746 8.125 -8.959 672 HE3 LYS 95 2HE LYS 95 9.490 9.124 -10.213 673 HZ1 LYS 95 3HZ LYS 95 10.854 8.048 -7.834 674 HZ2 LYS 95 1HZ LYS 95 11.546 9.089 -8.904 675 HZ3 LYS 95 2HZ LYS 95 11.096 7.577 -9.384 676 H ILE 96 H ILE 96 8.853 8.720 -2.623 677 HA ILE 96 HA ILE 96 8.748 11.622 -2.015 678 HB ILE 96 HB ILE 96 10.344 9.438 -0.614 679 HG12 ILE 96 1HG1 ILE 96 8.328 10.135 1.149 680 HG13 ILE 96 2HG1 ILE 96 7.456 10.148 -0.376 681 HG21 ILE 96 1HG2 ILE 96 10.379 11.107 1.263 682 HG22 ILE 96 2HG2 ILE 96 11.251 11.628 -0.174 683 HG23 ILE 96 3HG2 ILE 96 9.637 12.290 0.170 684 HD11 ILE 96 3HD1 ILE 96 7.358 7.900 0.610 685 HD12 ILE 96 1HD1 ILE 96 8.401 7.804 -0.816 686 HD13 ILE 96 2HD1 ILE 96 9.117 7.878 0.816 687 H VAL 97 H VAL 97 10.480 12.943 -2.585 688 HA VAL 97 HA VAL 97 13.066 11.604 -3.327 689 HB VAL 97 HB VAL 97 11.898 14.084 -4.625 690 HG11 VAL 97 1HG1 VAL 97 14.351 14.149 -4.541 691 HG12 VAL 97 2HG1 VAL 97 14.439 12.549 -5.290 692 HG13 VAL 97 3HG1 VAL 97 13.779 13.928 -6.202 693 HG21 VAL 97 3HG2 VAL 97 12.170 11.311 -5.783 694 HG22 VAL 97 1HG2 VAL 97 10.668 12.208 -5.450 695 HG23 VAL 97 2HG2 VAL 97 11.753 12.790 -6.707 696 H GLN 98 H GLN 98 13.997 11.881 -1.261 697 HA GLN 98 HA GLN 98 13.913 14.647 -0.147 698 HB2 GLN 98 1HB GLN 98 14.082 13.743 2.033 699 HB3 GLN 98 2HB GLN 98 12.681 13.038 1.224 700 HG2 GLN 98 1HG GLN 98 13.919 10.953 0.867 701 HG3 GLN 98 2HG GLN 98 15.355 11.638 1.638 702 HE21 GLN 98 1HE2 GLN 98 13.901 9.237 2.550 703 HE22 GLN 98 2HE2 GLN 98 13.330 9.617 4.151 704 HA PRO 99 HA PRO 99 18.454 14.489 -0.361 705 HB2 PRO 99 1HB PRO 99 19.100 16.451 1.431 706 HB3 PRO 99 2HB PRO 99 18.344 16.801 -0.145 707 HG2 PRO 99 1HG PRO 99 16.989 16.555 2.547 708 HG3 PRO 99 2HG PRO 99 16.820 17.842 1.303 709 HD2 PRO 99 1HD PRO 99 15.071 15.718 1.549 710 HD3 PRO 99 2HD PRO 99 15.434 16.501 -0.019 711 H GLY 100 H GLY 100 20.157 14.795 1.820 712 HA2 GLY 100 1HA GLY 100 19.345 12.780 3.818 713 HA3 GLY 100 2HA GLY 100 20.739 12.424 2.778 714 H LYS 101 H LYS 101 21.022 12.518 5.443 715 HA LYS 101 HA LYS 101 22.455 14.968 6.168 716 HB2 LYS 101 1HB LYS 101 21.271 15.608 7.940 717 HB3 LYS 101 2HB LYS 101 20.005 15.170 6.824 718 HG2 LYS 101 1HG LYS 101 20.899 13.702 9.316 719 HG3 LYS 101 2HG LYS 101 19.344 14.461 8.958 720 HD2 LYS 101 1HD LYS 101 19.129 12.723 7.047 721 HD3 LYS 101 2HD LYS 101 20.438 11.854 7.883 722 HE2 LYS 101 1HE LYS 101 17.685 12.588 8.935 723 HE3 LYS 101 2HE LYS 101 18.310 10.965 8.585 724 HZ1 LYS 101 3HZ LYS 101 18.332 11.285 10.841 725 HZ2 LYS 101 1HZ LYS 101 19.114 12.734 10.793 726 HZ3 LYS 101 2HZ LYS 101 19.917 11.327 10.416 727 H THR 102 H THR 102 23.329 14.384 8.600 728 HA THR 102 HA THR 102 24.110 11.625 8.929 729 HB THR 102 HB THR 102 26.554 12.512 9.193 730 HG1 THR 102 1HG THR 102 26.161 14.581 8.743 731 HG21 THR 102 3HG2 THR 102 26.143 10.702 7.729 732 HG22 THR 102 1HG2 THR 102 27.132 11.881 6.838 733 HG23 THR 102 2HG2 THR 102 25.385 11.734 6.527 734 H SER 103 H SER 103 23.048 11.799 10.839 735 HA SER 103 HA SER 103 24.288 13.522 12.879 736 HB2 SER 103 1HB SER 103 21.962 13.835 13.848 737 HB3 SER 103 2HB SER 103 22.247 14.657 12.313 738 HG SER 103 HG SER 103 20.386 12.877 12.961 739 H ILE 104 H ILE 104 22.818 12.415 15.050 740 HA ILE 104 HA ILE 104 23.492 9.511 14.826 741 HB ILE 104 HB ILE 104 23.394 10.966 17.471 742 HG12 ILE 104 1HG1 ILE 104 25.998 10.473 17.314 743 HG13 ILE 104 2HG1 ILE 104 25.746 10.624 15.582 744 HG21 ILE 104 1HG2 ILE 104 24.569 8.291 16.573 745 HG22 ILE 104 2HG2 ILE 104 24.542 8.928 18.230 746 HG23 ILE 104 3HG2 ILE 104 23.031 8.503 17.430 747 HD11 ILE 104 3HD1 ILE 104 25.053 12.734 17.693 748 HD12 ILE 104 1HD1 ILE 104 26.512 12.729 16.683 749 HD13 ILE 104 2HD1 ILE 104 24.929 12.965 15.937 750 H ASP 105 H ASP 105 21.481 9.688 13.568 751 HA ASP 105 HA ASP 105 19.095 9.124 15.206 752 HB2 ASP 105 1HB ASP 105 19.216 10.664 12.588 753 HB3 ASP 105 2HB ASP 105 17.749 9.999 13.317 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -33.419 14.058 -8.708 2 HA2 GLY 1 1HA GLY 1 -31.269 14.027 -9.931 3 HA3 GLY 1 2HA GLY 1 -30.645 13.025 -8.605 4 H HIS 2 H HIS 2 -30.288 11.776 -10.819 5 HA HIS 2 HA HIS 2 -32.660 10.062 -11.446 6 HB2 HIS 2 1HB HIS 2 -30.699 11.064 -13.529 7 HB3 HIS 2 2HB HIS 2 -32.269 10.310 -13.769 8 HD1 HIS 2 1HD HIS 2 -30.970 13.475 -14.502 9 HD2 HIS 2 2HD HIS 2 -34.151 12.202 -12.027 10 HE1 HIS 2 1HE HIS 2 -32.389 15.513 -14.035 11 H MET 3 H MET 3 -31.792 8.432 -10.063 12 HA MET 3 HA MET 3 -29.047 7.522 -10.391 13 HB2 MET 3 1HB MET 3 -29.701 5.697 -8.863 14 HB3 MET 3 2HB MET 3 -30.020 7.300 -8.222 15 HG2 MET 3 1HG MET 3 -32.438 7.029 -8.915 16 HG3 MET 3 2HG MET 3 -32.077 5.360 -9.342 17 HE1 MET 3 3HE MET 3 -31.694 3.441 -7.657 18 HE2 MET 3 1HE MET 3 -30.209 4.228 -7.059 19 HE3 MET 3 2HE MET 3 -31.436 3.658 -5.912 20 H GLY 4 H GLY 4 -28.348 5.683 -11.451 21 HA2 GLY 4 1HA GLY 4 -29.657 3.584 -12.653 22 HA3 GLY 4 2HA GLY 4 -29.906 4.920 -13.782 23 H SER 5 H SER 5 -27.194 3.417 -11.853 24 HA SER 5 HA SER 5 -25.649 3.134 -14.298 25 HB2 SER 5 1HB SER 5 -23.638 4.270 -13.181 26 HB3 SER 5 2HB SER 5 -24.921 5.323 -13.769 27 HG SER 5 HG SER 5 -24.257 5.949 -11.728 28 HA PRO 6 HA PRO 6 -24.344 -0.430 -11.996 29 HB2 PRO 6 1HB PRO 6 -21.787 -0.963 -12.819 30 HB3 PRO 6 2HB PRO 6 -23.208 -1.115 -13.895 31 HG2 PRO 6 1HG PRO 6 -21.314 1.234 -13.609 32 HG3 PRO 6 2HG PRO 6 -21.822 0.387 -15.112 33 HD2 PRO 6 1HD PRO 6 -23.026 2.676 -14.307 34 HD3 PRO 6 2HD PRO 6 -23.975 1.359 -15.055 35 H VAL 7 H VAL 7 -22.179 -1.197 -10.726 36 HA VAL 7 HA VAL 7 -22.144 0.371 -8.306 37 HB VAL 7 HB VAL 7 -20.766 -2.151 -9.289 38 HG11 VAL 7 1HG1 VAL 7 -19.636 -0.849 -7.322 39 HG12 VAL 7 2HG1 VAL 7 -20.975 -1.499 -6.369 40 HG13 VAL 7 3HG1 VAL 7 -19.893 -2.610 -7.213 41 HG21 VAL 7 3HG2 VAL 7 -23.002 -1.864 -7.226 42 HG22 VAL 7 1HG2 VAL 7 -23.339 -2.100 -8.929 43 HG23 VAL 7 2HG2 VAL 7 -22.457 -3.335 -8.044 44 H SER 8 H SER 8 -21.339 2.270 -8.604 45 HA SER 8 HA SER 8 -18.950 2.948 -10.065 46 HB2 SER 8 1HB SER 8 -20.996 4.386 -9.611 47 HB3 SER 8 2HB SER 8 -20.536 4.334 -7.892 48 HG SER 8 HG SER 8 -18.949 5.358 -10.058 49 H TYR 9 H TYR 9 -16.891 3.357 -9.170 50 HA TYR 9 HA TYR 9 -16.457 3.001 -6.233 51 HB2 TYR 9 1HB TYR 9 -14.961 1.914 -8.630 52 HB3 TYR 9 2HB TYR 9 -14.128 2.293 -7.159 53 HD1 TYR 9 1HD TYR 9 -17.416 0.499 -7.763 54 HD2 TYR 9 2HD TYR 9 -13.484 0.438 -6.053 55 HE1 TYR 9 1HE TYR 9 -17.785 -1.792 -7.002 56 HE2 TYR 9 2HE TYR 9 -13.803 -1.892 -5.336 57 HH TYR 9 HH TYR 9 -15.186 -3.870 -5.898 58 H TYR 10 H TYR 10 -14.819 4.278 -5.355 59 HA TYR 10 HA TYR 10 -13.793 6.592 -6.909 60 HB2 TYR 10 1HB TYR 10 -15.094 6.591 -4.145 61 HB3 TYR 10 2HB TYR 10 -14.261 7.950 -4.890 62 HD1 TYR 10 1HD TYR 10 -17.217 5.703 -5.214 63 HD2 TYR 10 2HD TYR 10 -15.377 9.412 -6.379 64 HE1 TYR 10 1HE TYR 10 -19.350 6.407 -6.264 65 HE2 TYR 10 2HE TYR 10 -17.503 10.132 -7.466 66 HH TYR 10 HH TYR 10 -19.715 9.420 -8.096 67 H PHE 11 H PHE 11 -11.577 6.508 -6.737 68 HA PHE 11 HA PHE 11 -10.405 5.825 -4.190 69 HB2 PHE 11 1HB PHE 11 -10.521 3.557 -5.340 70 HB3 PHE 11 2HB PHE 11 -9.516 4.216 -6.596 71 HD1 PHE 11 2HD PHE 11 -8.956 5.105 -2.937 72 HD2 PHE 11 1HD PHE 11 -7.883 2.494 -6.221 73 HE1 PHE 11 2HE PHE 11 -7.071 4.267 -1.652 74 HE2 PHE 11 1HE PHE 11 -5.964 1.672 -4.897 75 HZ PHE 11 HZ PHE 11 -5.604 2.538 -2.586 76 H SER 12 H SER 12 -9.945 8.215 -4.445 77 HA SER 12 HA SER 12 -7.369 8.557 -5.650 78 HB2 SER 12 1HB SER 12 -7.944 10.429 -7.070 79 HB3 SER 12 2HB SER 12 -8.769 8.979 -7.610 80 HG SER 12 HG SER 12 -9.887 11.170 -6.201 81 H TYR 13 H TYR 13 -6.914 11.184 -5.318 82 HA TYR 13 HA TYR 13 -7.628 11.992 -2.601 83 HB2 TYR 13 1HB TYR 13 -6.519 13.490 -5.005 84 HB3 TYR 13 2HB TYR 13 -6.812 14.228 -3.450 85 HD1 TYR 13 1HD TYR 13 -4.752 11.537 -5.110 86 HD2 TYR 13 2HD TYR 13 -5.277 14.140 -1.698 87 HE1 TYR 13 1HE TYR 13 -2.509 10.830 -4.267 88 HE2 TYR 13 2HE TYR 13 -3.049 13.475 -0.866 89 HH TYR 13 HH TYR 13 -1.056 12.408 -1.427 90 H ALA 14 H ALA 14 -8.925 13.975 -2.315 91 HA ALA 14 HA ALA 14 -11.176 14.202 -4.217 92 HB1 ALA 14 1HB ALA 14 -12.224 15.454 -2.240 93 HB2 ALA 14 2HB ALA 14 -11.965 13.726 -1.988 94 HB3 ALA 14 3HB ALA 14 -10.872 14.894 -1.249 95 H ASP 15 H ASP 15 -8.459 15.891 -2.734 96 HA ASP 15 HA ASP 15 -8.926 18.211 -4.534 97 HB2 ASP 15 1HB ASP 15 -8.299 18.249 -1.611 98 HB3 ASP 15 2HB ASP 15 -7.752 19.540 -2.667 99 H GLY 16 H GLY 16 -7.581 16.635 -5.781 100 HA2 GLY 16 1HA GLY 16 -5.202 18.038 -6.057 101 HA3 GLY 16 2HA GLY 16 -4.704 16.603 -5.158 102 H GLY 17 H GLY 17 -6.100 14.546 -6.245 103 HA2 GLY 17 1HA GLY 17 -6.158 14.153 -8.972 104 HA3 GLY 17 2HA GLY 17 -4.424 14.316 -8.608 105 H THR 18 H THR 18 -3.631 12.345 -8.821 106 HA THR 18 HA THR 18 -4.905 10.047 -7.415 107 HB THR 18 HB THR 18 -4.467 8.802 -9.688 108 HG1 THR 18 1HG THR 18 -4.441 11.516 -10.440 109 HG21 THR 18 3HG2 THR 18 -6.753 9.312 -10.426 110 HG22 THR 18 1HG2 THR 18 -6.802 10.713 -9.345 111 HG23 THR 18 2HG2 THR 18 -6.654 9.072 -8.676 112 H SER 19 H SER 19 -2.340 11.651 -6.997 113 HA SER 19 HA SER 19 -0.851 9.414 -6.114 114 HB2 SER 19 1HB SER 19 -0.047 9.193 -8.404 115 HB3 SER 19 2HB SER 19 0.002 10.932 -8.638 116 HG SER 19 HG SER 19 1.824 9.360 -7.110 117 H HIS 20 H HIS 20 1.257 10.077 -5.235 118 HA HIS 20 HA HIS 20 1.254 12.762 -4.097 119 HB2 HIS 20 1HB HIS 20 2.547 11.364 -2.193 120 HB3 HIS 20 2HB HIS 20 0.965 12.016 -2.082 121 HD1 HIS 20 1HD HIS 20 0.062 10.253 -0.419 122 HD2 HIS 20 2HD HIS 20 1.489 8.636 -4.003 123 HE1 HIS 20 1HE HIS 20 -0.621 7.800 -0.426 124 H THR 21 H THR 21 3.095 13.865 -4.008 125 HA THR 21 HA THR 21 5.622 12.559 -4.481 126 HB THR 21 HB THR 21 4.876 14.795 -6.397 127 HG1 THR 21 1HG THR 21 4.374 12.113 -6.475 128 HG21 THR 21 3HG2 THR 21 7.189 12.812 -6.461 129 HG22 THR 21 1HG2 THR 21 7.311 14.436 -5.796 130 HG23 THR 21 2HG2 THR 21 6.928 14.216 -7.523 131 H GLU 22 H GLU 22 6.027 13.222 -2.361 132 HA GLU 22 HA GLU 22 5.798 16.091 -1.710 133 HB2 GLU 22 1HB GLU 22 5.138 14.132 -0.180 134 HB3 GLU 22 2HB GLU 22 6.862 13.901 0.096 135 HG2 GLU 22 1HG GLU 22 7.054 16.071 1.138 136 HG3 GLU 22 2HG GLU 22 5.510 16.614 0.470 137 H TYR 23 H TYR 23 7.593 17.401 -1.464 138 HA TYR 23 HA TYR 23 10.275 16.282 -2.120 139 HB2 TYR 23 1HB TYR 23 9.050 18.938 -2.970 140 HB3 TYR 23 2HB TYR 23 10.745 18.529 -3.101 141 HD1 TYR 23 2HD TYR 23 7.372 17.877 -4.438 142 HD2 TYR 23 1HD TYR 23 11.568 17.006 -4.789 143 HE1 TYR 23 2HE TYR 23 6.974 17.024 -6.724 144 HE2 TYR 23 1HE TYR 23 11.205 16.180 -7.116 145 HH TYR 23 HH TYR 23 8.280 16.749 -8.790 146 HA PRO 24 HA PRO 24 10.548 18.575 1.884 147 HB2 PRO 24 1HB PRO 24 11.596 16.642 3.468 148 HB3 PRO 24 2HB PRO 24 9.828 16.758 3.173 149 HG2 PRO 24 1HG PRO 24 11.839 14.975 1.849 150 HG3 PRO 24 2HG PRO 24 10.246 14.517 2.498 151 HD2 PRO 24 1HD PRO 24 10.717 15.073 -0.178 152 HD3 PRO 24 2HD PRO 24 9.142 15.352 0.610 153 H ASP 25 H ASP 25 12.715 18.895 2.976 154 HA ASP 25 HA ASP 25 15.144 18.056 1.800 155 HB2 ASP 25 1HB ASP 25 14.479 19.721 0.033 156 HB3 ASP 25 2HB ASP 25 14.444 20.968 1.292 157 H ASP 26 H ASP 26 16.940 19.101 3.064 158 HA ASP 26 HA ASP 26 17.905 19.452 5.017 159 HB2 ASP 26 1HB ASP 26 16.947 21.715 4.923 160 HB3 ASP 26 2HB ASP 26 15.558 21.172 5.894 161 H SER 27 H SER 27 14.531 19.354 6.304 162 HA SER 27 HA SER 27 14.750 16.648 7.265 163 HB2 SER 27 1HB SER 27 16.335 17.501 8.797 164 HB3 SER 27 2HB SER 27 15.408 18.966 9.106 165 HG SER 27 HG SER 27 14.161 17.971 10.438 166 H SER 28 H SER 28 12.711 16.728 6.068 167 HA SER 28 HA SER 28 10.524 17.593 7.874 168 HB2 SER 28 1HB SER 28 10.481 18.057 4.879 169 HB3 SER 28 2HB SER 28 9.193 18.465 6.014 170 HG SER 28 HG SER 28 10.959 20.054 5.212 171 H ALA 29 H ALA 29 11.848 15.098 7.226 172 HA ALA 29 HA ALA 29 9.837 13.273 6.098 173 HB1 ALA 29 1HB ALA 29 12.150 12.577 6.014 174 HB2 ALA 29 2HB ALA 29 12.361 12.869 7.751 175 HB3 ALA 29 3HB ALA 29 11.333 11.546 7.195 176 H GLY 30 H GLY 30 7.890 12.636 7.262 177 HA2 GLY 30 1HA GLY 30 8.001 12.344 10.115 178 HA3 GLY 30 2HA GLY 30 7.186 13.834 9.581 179 H SER 31 H SER 31 5.537 12.511 10.801 180 HA SER 31 HA SER 31 4.062 10.589 9.099 181 HB2 SER 31 1HB SER 31 2.748 10.143 11.157 182 HB3 SER 31 2HB SER 31 4.463 9.819 11.347 183 HG SER 31 HG SER 31 4.642 11.920 12.370 184 H PHE 32 H PHE 32 2.494 11.334 7.913 185 HA PHE 32 HA PHE 32 0.765 13.507 9.036 186 HB2 PHE 32 1HB PHE 32 0.408 14.370 6.759 187 HB3 PHE 32 2HB PHE 32 2.068 14.492 7.296 188 HD1 PHE 32 2HD PHE 32 -0.208 12.263 5.280 189 HD2 PHE 32 1HD PHE 32 3.817 13.679 5.951 190 HE1 PHE 32 2HE PHE 32 0.513 11.200 3.185 191 HE2 PHE 32 1HE PHE 32 4.498 12.727 3.756 192 HZ PHE 32 HZ PHE 32 2.794 11.525 2.367 193 H ILE 33 H ILE 33 -1.300 13.634 7.518 194 HA ILE 33 HA ILE 33 -2.636 11.051 7.121 195 HB ILE 33 HB ILE 33 -3.592 13.373 8.871 196 HG12 ILE 33 1HG1 ILE 33 -2.644 10.594 9.550 197 HG13 ILE 33 2HG1 ILE 33 -2.046 12.137 10.143 198 HG21 ILE 33 1HG2 ILE 33 -5.653 12.228 9.255 199 HG22 ILE 33 2HG2 ILE 33 -5.454 12.354 7.522 200 HG23 ILE 33 3HG2 ILE 33 -5.113 10.807 8.333 201 HD11 ILE 33 3HD1 ILE 33 -4.263 12.475 11.295 202 HD12 ILE 33 1HD1 ILE 33 -4.618 10.765 10.924 203 HD13 ILE 33 2HD1 ILE 33 -3.249 11.183 11.943 204 H LEU 34 H LEU 34 -4.248 11.325 5.400 205 HA LEU 34 HA LEU 34 -4.164 13.911 3.922 206 HB2 LEU 34 1HB LEU 34 -4.153 11.083 2.792 207 HB3 LEU 34 2HB LEU 34 -4.182 12.577 1.851 208 HG LEU 34 HG LEU 34 -1.873 11.639 3.589 209 HD11 LEU 34 1HD1 LEU 34 -2.172 10.316 1.572 210 HD12 LEU 34 2HD1 LEU 34 -0.761 11.369 1.365 211 HD13 LEU 34 3HD1 LEU 34 -2.293 11.772 0.584 212 HD21 LEU 34 3HD2 LEU 34 -1.919 14.104 3.544 213 HD22 LEU 34 1HD2 LEU 34 -2.114 14.086 1.783 214 HD23 LEU 34 2HD2 LEU 34 -0.616 13.508 2.527 215 H ASP 35 H ASP 35 -6.012 13.287 1.953 216 HA ASP 35 HA ASP 35 -8.511 12.589 3.391 217 HB2 ASP 35 1HB ASP 35 -8.010 15.067 1.712 218 HB3 ASP 35 2HB ASP 35 -9.609 14.448 2.048 219 H ILE 36 H ILE 36 -7.360 10.629 2.084 220 HA ILE 36 HA ILE 36 -7.963 10.653 -0.796 221 HB ILE 36 HB ILE 36 -6.582 8.672 1.047 222 HG12 ILE 36 1HG1 ILE 36 -5.694 10.389 -1.335 223 HG13 ILE 36 2HG1 ILE 36 -5.360 10.741 0.356 224 HG21 ILE 36 1HG2 ILE 36 -6.127 7.256 -0.924 225 HG22 ILE 36 2HG2 ILE 36 -7.851 7.346 -0.623 226 HG23 ILE 36 3HG2 ILE 36 -7.142 8.313 -1.935 227 HD11 ILE 36 3HD1 ILE 36 -4.235 8.419 -1.241 228 HD12 ILE 36 1HD1 ILE 36 -3.382 9.844 -0.651 229 HD13 ILE 36 2HD1 ILE 36 -4.013 8.651 0.514 230 H THR 37 H THR 37 -9.742 9.905 -1.679 231 HA THR 37 HA THR 37 -11.993 8.994 -0.106 232 HB THR 37 HB THR 37 -11.652 9.007 -3.144 233 HG1 THR 37 1HG THR 37 -11.795 11.166 -1.406 234 HG21 THR 37 3HG2 THR 37 -13.724 7.953 -2.243 235 HG22 THR 37 1HG2 THR 37 -14.085 9.450 -3.119 236 HG23 THR 37 2HG2 THR 37 -14.055 9.442 -1.339 237 H SER 38 H SER 38 -12.648 6.901 0.148 238 HA SER 38 HA SER 38 -11.841 4.788 -1.740 239 HB2 SER 38 1HB SER 38 -10.147 4.421 -0.045 240 HB3 SER 38 2HB SER 38 -11.345 4.614 1.262 241 HG SER 38 HG SER 38 -10.990 2.418 0.794 242 H TYR 39 H TYR 39 -13.912 4.438 -2.421 243 HA TYR 39 HA TYR 39 -15.364 2.780 -0.749 244 HB2 TYR 39 1HB TYR 39 -17.589 3.907 -0.611 245 HB3 TYR 39 2HB TYR 39 -16.406 4.680 0.375 246 HD1 TYR 39 1HD TYR 39 -18.520 4.992 -2.580 247 HD2 TYR 39 2HD TYR 39 -15.568 6.950 -0.151 248 HE1 TYR 39 1HE TYR 39 -19.100 7.239 -3.604 249 HE2 TYR 39 2HE TYR 39 -16.150 9.104 -1.111 250 HH TYR 39 HH TYR 39 -17.467 10.237 -2.698 251 H LYS 40 H LYS 40 -17.378 2.015 -1.758 252 HA LYS 40 HA LYS 40 -17.626 2.541 -4.660 253 HB2 LYS 40 1HB LYS 40 -18.484 0.274 -4.992 254 HB3 LYS 40 2HB LYS 40 -16.841 0.286 -4.367 255 HG2 LYS 40 1HG LYS 40 -17.707 -1.402 -3.144 256 HG3 LYS 40 2HG LYS 40 -18.211 -0.092 -2.059 257 HD2 LYS 40 1HD LYS 40 -20.420 -0.025 -3.149 258 HD3 LYS 40 2HD LYS 40 -19.932 -1.244 -4.340 259 HE2 LYS 40 1HE LYS 40 -19.776 -1.771 -1.406 260 HE3 LYS 40 2HE LYS 40 -21.317 -1.913 -2.281 261 HZ1 LYS 40 3HZ LYS 40 -20.489 -3.633 -3.567 262 HZ2 LYS 40 1HZ LYS 40 -20.048 -4.010 -2.049 263 HZ3 LYS 40 2HZ LYS 40 -18.910 -3.452 -3.068 264 H LYS 41 H LYS 41 -19.732 3.167 -5.353 265 HA LYS 41 HA LYS 41 -21.639 3.769 -3.145 266 HB2 LYS 41 1HB LYS 41 -20.417 5.691 -4.106 267 HB3 LYS 41 2HB LYS 41 -21.137 5.358 -5.689 268 HG2 LYS 41 1HG LYS 41 -23.366 5.834 -4.814 269 HG3 LYS 41 2HG LYS 41 -22.725 5.973 -3.167 270 HD2 LYS 41 1HD LYS 41 -21.208 7.863 -4.066 271 HD3 LYS 41 2HD LYS 41 -22.191 7.819 -5.539 272 HE2 LYS 41 1HE LYS 41 -24.228 8.225 -4.146 273 HE3 LYS 41 2HE LYS 41 -23.230 8.193 -2.682 274 HZ1 LYS 41 3HZ LYS 41 -22.119 10.169 -3.398 275 HZ2 LYS 41 1HZ LYS 41 -23.726 10.446 -3.416 276 HZ3 LYS 41 2HZ LYS 41 -22.913 10.193 -4.832 277 H THR 42 H THR 42 -23.610 2.844 -3.450 278 HA THR 42 HA THR 42 -24.695 2.492 -6.079 279 HB THR 42 HB THR 42 -23.205 0.679 -6.347 280 HG1 THR 42 1HG THR 42 -24.979 0.019 -7.224 281 HG21 THR 42 3HG2 THR 42 -24.102 -0.427 -3.664 282 HG22 THR 42 1HG2 THR 42 -22.477 0.171 -4.110 283 HG23 THR 42 2HG2 THR 42 -23.098 -1.292 -4.855 284 H GLY 43 H GLY 43 -26.874 1.777 -6.060 285 HA2 GLY 43 1HA GLY 43 -29.002 1.685 -5.301 286 HA3 GLY 43 2HA GLY 43 -28.398 1.096 -3.749 287 H ASN 44 H ASN 44 -27.544 2.681 -2.279 288 HA ASN 44 HA ASN 44 -28.436 5.481 -2.546 289 HB2 ASN 44 1HB ASN 44 -30.458 4.334 -1.795 290 HB3 ASN 44 2HB ASN 44 -29.573 3.579 -0.466 291 HD21 ASN 44 1HD2 ASN 44 -30.343 4.528 1.440 292 HD22 ASN 44 2HD2 ASN 44 -30.430 6.272 1.637 293 H SER 45 H SER 45 -26.033 3.234 -1.493 294 HA SER 45 HA SER 45 -25.142 4.930 0.723 295 HB2 SER 45 1HB SER 45 -24.588 2.526 1.604 296 HB3 SER 45 2HB SER 45 -26.239 3.180 1.669 297 HG SER 45 HG SER 45 -26.928 1.694 0.512 298 H THR 46 H THR 46 -22.906 4.142 1.444 299 HA THR 46 HA THR 46 -21.092 3.732 -0.805 300 HB THR 46 HB THR 46 -19.611 5.457 0.379 301 HG1 THR 46 1HG THR 46 -21.029 7.148 1.319 302 HG21 THR 46 3HG2 THR 46 -20.788 5.815 -1.790 303 HG22 THR 46 1HG2 THR 46 -20.558 7.296 -0.862 304 HG23 THR 46 2HG2 THR 46 -22.159 6.519 -0.905 305 H LYS 47 H LYS 47 -19.841 2.133 -0.398 306 HA LYS 47 HA LYS 47 -19.424 1.125 2.387 307 HB2 LYS 47 1HB LYS 47 -20.479 -0.263 0.242 308 HB3 LYS 47 2HB LYS 47 -18.782 -0.674 0.080 309 HG2 LYS 47 1HG LYS 47 -19.681 -0.988 2.865 310 HG3 LYS 47 2HG LYS 47 -20.747 -1.816 1.754 311 HD2 LYS 47 1HD LYS 47 -19.121 -3.369 2.506 312 HD3 LYS 47 2HD LYS 47 -18.795 -3.048 0.799 313 HE2 LYS 47 1HE LYS 47 -16.958 -1.521 1.413 314 HE3 LYS 47 2HE LYS 47 -17.369 -1.657 3.124 315 HZ1 LYS 47 3HZ LYS 47 -16.368 -3.913 1.451 316 HZ2 LYS 47 1HZ LYS 47 -16.720 -3.989 3.039 317 HZ3 LYS 47 2HZ LYS 47 -15.489 -3.065 2.503 318 H ALA 48 H ALA 48 -17.450 1.756 3.127 319 HA ALA 48 HA ALA 48 -15.376 2.785 1.335 320 HB1 ALA 48 1HB ALA 48 -14.079 3.052 3.440 321 HB2 ALA 48 2HB ALA 48 -15.645 3.869 3.489 322 HB3 ALA 48 3HB ALA 48 -15.417 2.311 4.342 323 H LEU 49 H LEU 49 -13.277 1.852 1.169 324 HA LEU 49 HA LEU 49 -13.114 -1.073 1.821 325 HB2 LEU 49 1HB LEU 49 -11.806 0.376 -0.499 326 HB3 LEU 49 2HB LEU 49 -11.721 -1.308 -0.166 327 HG LEU 49 HG LEU 49 -14.361 0.115 -0.819 328 HD11 LEU 49 1HD1 LEU 49 -14.107 -0.892 -3.050 329 HD12 LEU 49 2HD1 LEU 49 -12.397 -1.252 -2.622 330 HD13 LEU 49 3HD1 LEU 49 -12.977 0.429 -2.660 331 HD21 LEU 49 3HD2 LEU 49 -15.061 -2.271 -1.306 332 HD22 LEU 49 1HD2 LEU 49 -14.683 -1.950 0.397 333 HD23 LEU 49 2HD2 LEU 49 -13.513 -2.808 -0.599 334 H SER 50 H SER 50 -11.106 -1.895 2.522 335 HA SER 50 HA SER 50 -9.210 0.067 3.672 336 HB2 SER 50 1HB SER 50 -9.128 -2.981 3.605 337 HB3 SER 50 2HB SER 50 -8.057 -1.927 4.521 338 HG SER 50 HG SER 50 -9.775 -2.887 5.698 339 H TRP 51 H TRP 51 -6.903 -0.160 3.090 340 HA TRP 51 HA TRP 51 -6.313 -1.456 0.507 341 HB2 TRP 51 1HB TRP 51 -5.229 0.492 -0.346 342 HB3 TRP 51 2HB TRP 51 -6.861 0.839 -0.175 343 HD1 TRP 51 HD TRP 51 -3.426 1.913 0.845 344 HE1 TRP 51 1HE TRP 51 -3.500 4.219 1.916 345 HE3 TRP 51 3HE TRP 51 -8.469 2.219 1.707 346 HZ2 TRP 51 2HZ TRP 51 -5.496 5.997 3.009 347 HZ3 TRP 51 3HZ TRP 51 -9.420 4.195 2.840 348 HH2 TRP 51 HH TRP 51 -7.919 6.137 3.466 349 H ASN 52 H ASN 52 -3.893 -1.162 0.024 350 HA ASN 52 HA ASN 52 -2.250 -1.555 2.445 351 HB2 ASN 52 1HB ASN 52 -1.602 -3.786 1.579 352 HB3 ASN 52 2HB ASN 52 -3.290 -3.714 2.067 353 HD21 ASN 52 1HD2 ASN 52 -1.194 -4.703 -0.481 354 HD22 ASN 52 2HD2 ASN 52 -2.462 -4.807 -1.701 355 H ALA 53 H ALA 53 -0.027 -1.495 2.017 356 HA ALA 53 HA ALA 53 1.000 -0.851 -0.646 357 HB1 ALA 53 1HB ALA 53 1.431 1.033 1.712 358 HB2 ALA 53 2HB ALA 53 1.926 1.270 0.053 359 HB3 ALA 53 3HB ALA 53 0.196 1.325 0.478 360 H SER 54 H SER 54 3.441 -0.749 -0.533 361 HA SER 54 HA SER 54 5.004 -1.430 1.685 362 HB2 SER 54 1HB SER 54 5.356 -3.925 1.206 363 HB3 SER 54 2HB SER 54 3.892 -3.493 2.077 364 HG SER 54 HG SER 54 4.240 -4.412 -0.528 365 H GLY 55 H GLY 55 7.115 -1.503 1.148 366 HA2 GLY 55 1HA GLY 55 8.286 -2.814 -0.966 367 HA3 GLY 55 2HA GLY 55 8.079 -1.153 -1.555 368 H ASP 56 H ASP 56 9.200 0.554 -0.501 369 HA ASP 56 HA ASP 56 11.762 0.120 0.474 370 HB2 ASP 56 1HB ASP 56 9.942 2.537 0.762 371 HB3 ASP 56 2HB ASP 56 11.671 2.557 1.050 372 H SER 57 H SER 57 12.670 0.893 2.608 373 HA SER 57 HA SER 57 11.219 -0.297 4.861 374 HB2 SER 57 1HB SER 57 14.029 0.850 4.652 375 HB3 SER 57 2HB SER 57 13.379 -0.162 5.947 376 HG SER 57 HG SER 57 12.932 -1.723 4.204 377 H TRP 58 H TRP 58 11.211 2.793 3.716 378 HA TRP 58 HA TRP 58 10.979 4.026 6.410 379 HB2 TRP 58 1HB TRP 58 12.087 6.002 5.388 380 HB3 TRP 58 2HB TRP 58 13.133 4.606 5.510 381 HD1 TRP 58 HD TRP 58 13.676 3.284 3.166 382 HE1 TRP 58 1HE TRP 58 13.904 4.213 0.748 383 HE3 TRP 58 3HE TRP 58 11.071 7.678 3.665 384 HZ2 TRP 58 2HZ TRP 58 13.375 6.643 -0.605 385 HZ3 TRP 58 3HZ TRP 58 11.104 9.345 1.869 386 HH2 TRP 58 HH TRP 58 12.274 8.879 -0.281 387 H ILE 59 H ILE 59 8.881 2.840 4.767 388 HA ILE 59 HA ILE 59 7.253 5.210 4.251 389 HB ILE 59 HB ILE 59 7.821 3.146 2.076 390 HG12 ILE 59 1HG1 ILE 59 8.374 6.145 2.207 391 HG13 ILE 59 2HG1 ILE 59 9.570 4.849 2.152 392 HG21 ILE 59 1HG2 ILE 59 6.153 4.305 0.734 393 HG22 ILE 59 2HG2 ILE 59 5.398 3.792 2.223 394 HG23 ILE 59 3HG2 ILE 59 5.879 5.496 2.018 395 HD11 ILE 59 3HD1 ILE 59 9.488 5.885 0.017 396 HD12 ILE 59 1HD1 ILE 59 8.832 4.255 -0.136 397 HD13 ILE 59 2HD1 ILE 59 7.732 5.642 -0.120 398 H HIS 60 H HIS 60 6.089 4.573 6.015 399 HA HIS 60 HA HIS 60 5.056 1.820 6.242 400 HB2 HIS 60 1HB HIS 60 4.843 4.084 8.196 401 HB3 HIS 60 2HB HIS 60 4.336 2.413 8.445 402 HD1 HIS 60 1HD HIS 60 6.912 0.788 7.506 403 HD2 HIS 60 2HD HIS 60 6.988 4.546 9.315 404 HE1 HIS 60 1HE HIS 60 9.242 1.038 8.457 405 H VAL 61 H VAL 61 2.543 1.797 6.854 406 HA VAL 61 HA VAL 61 1.039 4.160 6.360 407 HB VAL 61 HB VAL 61 1.404 3.218 4.085 408 HG11 VAL 61 1HG1 VAL 61 -0.104 0.808 5.090 409 HG12 VAL 61 2HG1 VAL 61 0.094 1.211 3.390 410 HG13 VAL 61 3HG1 VAL 61 1.531 0.914 4.394 411 HG21 VAL 61 3HG2 VAL 61 -0.607 4.602 4.629 412 HG22 VAL 61 1HG2 VAL 61 -0.828 3.497 3.268 413 HG23 VAL 61 2HG2 VAL 61 -1.531 3.095 4.840 414 H ASN 62 H ASN 62 -1.151 3.879 7.153 415 HA ASN 62 HA ASN 62 -2.010 1.357 8.331 416 HB2 ASN 62 1HB ASN 62 -1.070 3.755 9.815 417 HB3 ASN 62 2HB ASN 62 -2.726 3.357 10.172 418 HD21 ASN 62 1HD2 ASN 62 0.233 1.338 9.521 419 HD22 ASN 62 2HD2 ASN 62 0.070 0.418 11.001 420 H GLY 63 H GLY 63 -4.410 2.017 9.215 421 HA2 GLY 63 1HA GLY 63 -6.058 2.216 7.072 422 HA3 GLY 63 2HA GLY 63 -6.537 2.701 8.698 423 H SER 64 H SER 64 -5.287 5.073 9.173 424 HA SER 64 HA SER 64 -5.983 6.836 6.859 425 HB2 SER 64 1HB SER 64 -6.409 7.446 9.790 426 HB3 SER 64 2HB SER 64 -6.891 8.437 8.402 427 HG SER 64 HG SER 64 -8.232 6.684 7.727 428 H SER 65 H SER 65 -3.392 5.876 8.852 429 HA SER 65 HA SER 65 -2.153 8.582 8.643 430 HB2 SER 65 1HB SER 65 -1.766 6.414 10.729 431 HB3 SER 65 2HB SER 65 -1.003 8.019 10.718 432 HG SER 65 HG SER 65 -2.861 7.936 12.040 433 H VAL 66 H VAL 66 0.143 8.700 8.352 434 HA VAL 66 HA VAL 66 1.369 6.325 7.086 435 HB VAL 66 HB VAL 66 1.618 9.069 5.856 436 HG11 VAL 66 1HG1 VAL 66 1.919 7.735 3.790 437 HG12 VAL 66 2HG1 VAL 66 3.029 7.202 5.061 438 HG13 VAL 66 3HG1 VAL 66 1.580 6.251 4.681 439 HG21 VAL 66 3HG2 VAL 66 -0.738 7.254 5.198 440 HG22 VAL 66 1HG2 VAL 66 -0.821 8.896 5.886 441 HG23 VAL 66 2HG2 VAL 66 -0.203 8.675 4.261 442 H SER 67 H SER 67 3.811 6.704 6.881 443 HA SER 67 HA SER 67 4.949 9.007 8.140 444 HB2 SER 67 1HB SER 67 5.630 6.240 9.220 445 HB3 SER 67 2HB SER 67 6.594 7.718 9.453 446 HG SER 67 HG SER 67 4.459 6.841 10.826 447 H TYR 68 H TYR 68 6.765 9.510 6.939 448 HA TYR 68 HA TYR 68 8.036 7.333 5.417 449 HB2 TYR 68 1HB TYR 68 7.959 10.179 4.415 450 HB3 TYR 68 2HB TYR 68 8.578 8.757 3.593 451 HD1 TYR 68 2HD TYR 68 6.053 6.943 4.065 452 HD2 TYR 68 1HD TYR 68 6.623 10.936 2.587 453 HE1 TYR 68 2HE TYR 68 3.878 6.849 2.938 454 HE2 TYR 68 1HE TYR 68 4.550 10.818 1.398 455 HH TYR 68 HH TYR 68 2.644 9.608 0.981 456 H ASP 69 H ASP 69 9.790 6.989 6.665 457 HA ASP 69 HA ASP 69 10.987 9.095 8.292 458 HB2 ASP 69 1HB ASP 69 10.905 6.450 8.644 459 HB3 ASP 69 2HB ASP 69 12.434 6.495 7.786 460 H GLU 70 H GLU 70 13.459 9.261 8.301 461 HA GLU 70 HA GLU 70 14.413 10.231 5.729 462 HB2 GLU 70 1HB GLU 70 14.565 11.139 8.289 463 HB3 GLU 70 2HB GLU 70 16.091 10.248 8.230 464 HG2 GLU 70 1HG GLU 70 16.931 11.680 6.479 465 HG3 GLU 70 2HG GLU 70 15.292 12.227 6.063 466 H ASN 71 H ASN 71 17.251 9.693 6.183 467 HA ASN 71 HA ASN 71 17.441 6.790 5.662 468 HB2 ASN 71 1HB ASN 71 18.839 7.289 3.669 469 HB3 ASN 71 2HB ASN 71 17.185 7.869 3.499 470 HD21 ASN 71 1HD2 ASN 71 17.797 9.354 1.831 471 HD22 ASN 71 2HD2 ASN 71 18.577 10.835 2.242 472 HA PRO 72 HA PRO 72 21.182 7.463 8.003 473 HB2 PRO 72 1HB PRO 72 22.576 5.194 7.577 474 HB3 PRO 72 2HB PRO 72 20.920 5.122 8.254 475 HG2 PRO 72 1HG PRO 72 21.771 4.731 5.351 476 HG3 PRO 72 2HG PRO 72 20.677 3.698 6.334 477 HD2 PRO 72 1HD PRO 72 19.782 5.637 4.626 478 HD3 PRO 72 2HD PRO 72 18.891 5.130 6.090 479 H ALA 73 H ALA 73 21.346 7.632 4.576 480 HA ALA 73 HA ALA 73 24.252 8.266 4.568 481 HB1 ALA 73 1HB ALA 73 24.405 7.139 2.380 482 HB2 ALA 73 2HB ALA 73 23.920 5.981 3.642 483 HB3 ALA 73 3HB ALA 73 22.717 6.624 2.497 484 H LYS 74 H LYS 74 24.803 10.006 3.165 485 HA LYS 74 HA LYS 74 22.574 11.775 3.075 486 HB2 LYS 74 1HB LYS 74 24.139 13.564 3.026 487 HB3 LYS 74 2HB LYS 74 24.577 12.415 4.259 488 HG2 LYS 74 1HG LYS 74 26.648 12.358 3.405 489 HG3 LYS 74 2HG LYS 74 26.002 11.503 2.002 490 HD2 LYS 74 1HD LYS 74 25.670 13.579 0.804 491 HD3 LYS 74 2HD LYS 74 26.013 14.539 2.246 492 HE2 LYS 74 1HE LYS 74 28.334 13.768 2.250 493 HE3 LYS 74 2HE LYS 74 28.019 12.748 0.819 494 HZ1 LYS 74 3HZ LYS 74 27.482 14.742 -0.413 495 HZ2 LYS 74 1HZ LYS 74 28.989 14.905 0.226 496 HZ3 LYS 74 2HZ LYS 74 27.709 15.682 0.925 497 H GLU 75 H GLU 75 22.903 9.775 0.952 498 HA GLU 75 HA GLU 75 23.321 11.414 -1.432 499 HB2 GLU 75 1HB GLU 75 22.715 8.468 -1.000 500 HB3 GLU 75 2HB GLU 75 22.340 9.221 -2.552 501 HG2 GLU 75 1HG GLU 75 24.999 10.059 -1.887 502 HG3 GLU 75 2HG GLU 75 24.895 8.357 -1.498 503 H ARG 76 H ARG 76 21.413 11.549 -2.904 504 HA ARG 76 HA ARG 76 18.946 12.266 -1.444 505 HB2 ARG 76 1HB ARG 76 19.958 13.367 -3.607 506 HB3 ARG 76 2HB ARG 76 19.308 11.964 -4.455 507 HG2 ARG 76 1HG ARG 76 17.009 12.657 -3.477 508 HG3 ARG 76 2HG ARG 76 17.821 14.144 -2.924 509 HD2 ARG 76 1HD ARG 76 16.803 14.664 -5.017 510 HD3 ARG 76 2HD ARG 76 18.536 14.494 -5.344 511 HE ARG 76 HE ARG 76 16.843 12.097 -5.655 512 HH11 ARG 76 1HH1 ARG 76 18.593 14.657 -7.451 513 HH12 ARG 76 2HH1 ARG 76 18.570 13.723 -8.933 514 HH21 ARG 76 1HH2 ARG 76 16.889 10.980 -7.492 515 HH22 ARG 76 2HH2 ARG 76 17.590 11.570 -8.952 516 H ARG 77 H ARG 77 16.883 11.131 -1.942 517 HA ARG 77 HA ARG 77 17.269 8.355 -2.894 518 HB2 ARG 77 1HB ARG 77 17.222 8.675 -0.264 519 HB3 ARG 77 2HB ARG 77 15.496 8.973 -0.502 520 HG2 ARG 77 1HG ARG 77 15.743 6.652 0.036 521 HG3 ARG 77 2HG ARG 77 15.396 6.706 -1.700 522 HD2 ARG 77 1HD ARG 77 17.920 6.605 -2.072 523 HD3 ARG 77 2HD ARG 77 18.089 6.290 -0.341 524 HE ARG 77 HE ARG 77 16.214 4.483 -1.361 525 HH11 ARG 77 1HH1 ARG 77 19.683 5.211 -1.883 526 HH12 ARG 77 2HH1 ARG 77 20.034 3.594 -2.440 527 HH21 ARG 77 1HH2 ARG 77 16.796 2.309 -2.042 528 HH22 ARG 77 2HH2 ARG 77 18.457 1.966 -2.399 529 H THR 78 H THR 78 15.588 7.480 -4.015 530 HA THR 78 HA THR 78 13.245 9.234 -4.529 531 HB THR 78 HB THR 78 14.401 7.171 -6.444 532 HG1 THR 78 1HG THR 78 15.006 9.918 -6.235 533 HG21 THR 78 3HG2 THR 78 13.066 8.276 -8.121 534 HG22 THR 78 1HG2 THR 78 12.610 9.551 -6.975 535 HG23 THR 78 2HG2 THR 78 12.017 7.917 -6.716 536 H GLY 79 H GLY 79 12.143 8.258 -2.743 537 HA2 GLY 79 1HA GLY 79 11.964 5.335 -2.405 538 HA3 GLY 79 2HA GLY 79 11.107 6.583 -1.459 539 H LEU 80 H LEU 80 10.244 4.044 -3.195 540 HA LEU 80 HA LEU 80 8.061 5.424 -4.604 541 HB2 LEU 80 1HB LEU 80 10.228 5.268 -6.052 542 HB3 LEU 80 2HB LEU 80 9.833 3.537 -6.094 543 HG LEU 80 HG LEU 80 7.494 4.231 -6.943 544 HD11 LEU 80 1HD1 LEU 80 8.908 6.913 -7.340 545 HD12 LEU 80 2HD1 LEU 80 7.492 6.621 -6.315 546 HD13 LEU 80 3HD1 LEU 80 7.345 6.455 -8.062 547 HD21 LEU 80 3HD2 LEU 80 8.361 4.602 -9.254 548 HD22 LEU 80 1HD2 LEU 80 9.208 3.326 -8.365 549 HD23 LEU 80 2HD2 LEU 80 9.972 4.920 -8.582 550 H VAL 81 H VAL 81 7.013 4.250 -2.816 551 HA VAL 81 HA VAL 81 6.839 1.371 -3.162 552 HB VAL 81 HB VAL 81 5.591 3.393 -1.257 553 HG11 VAL 81 1HG1 VAL 81 4.722 0.526 -1.365 554 HG12 VAL 81 2HG1 VAL 81 4.563 1.584 0.060 555 HG13 VAL 81 3HG1 VAL 81 3.724 2.000 -1.435 556 HG21 VAL 81 3HG2 VAL 81 7.903 2.487 -0.898 557 HG22 VAL 81 1HG2 VAL 81 6.808 1.976 0.400 558 HG23 VAL 81 2HG2 VAL 81 7.239 0.859 -0.899 559 H THR 82 H THR 82 4.597 0.323 -3.400 560 HA THR 82 HA THR 82 2.885 1.823 -5.303 561 HB THR 82 HB THR 82 2.854 -1.178 -5.120 562 HG1 THR 82 1HG THR 82 4.665 0.347 -6.675 563 HG21 THR 82 3HG2 THR 82 1.044 -0.042 -6.375 564 HG22 THR 82 1HG2 THR 82 2.071 -0.985 -7.467 565 HG23 THR 82 2HG2 THR 82 2.234 0.793 -7.375 566 H LEU 83 H LEU 83 0.648 1.308 -5.082 567 HA LEU 83 HA LEU 83 -0.282 0.438 -2.437 568 HB2 LEU 83 1HB LEU 83 -0.584 3.076 -3.967 569 HB3 LEU 83 2HB LEU 83 -1.708 2.638 -2.725 570 HG LEU 83 HG LEU 83 0.827 2.217 -1.567 571 HD11 LEU 83 1HD1 LEU 83 0.761 4.964 -2.816 572 HD12 LEU 83 2HD1 LEU 83 1.809 3.628 -3.342 573 HD13 LEU 83 3HD1 LEU 83 1.974 4.291 -1.713 574 HD21 LEU 83 3HD2 LEU 83 -1.273 2.928 -0.433 575 HD22 LEU 83 1HD2 LEU 83 -1.032 4.557 -1.104 576 HD23 LEU 83 2HD2 LEU 83 0.159 3.861 0.027 577 H LYS 84 H LYS 84 -2.511 -0.415 -2.558 578 HA LYS 84 HA LYS 84 -4.020 -0.179 -4.959 579 HB2 LYS 84 1HB LYS 84 -2.329 -2.054 -5.506 580 HB3 LYS 84 2HB LYS 84 -3.123 -3.012 -4.248 581 HG2 LYS 84 1HG LYS 84 -5.158 -3.104 -5.449 582 HG3 LYS 84 2HG LYS 84 -4.716 -1.732 -6.472 583 HD2 LYS 84 1HD LYS 84 -3.162 -3.032 -7.748 584 HD3 LYS 84 2HD LYS 84 -3.285 -4.410 -6.623 585 HE2 LYS 84 1HE LYS 84 -5.651 -4.710 -7.143 586 HE3 LYS 84 2HE LYS 84 -5.681 -3.231 -8.111 587 HZ1 LYS 84 3HZ LYS 84 -4.229 -5.701 -8.838 588 HZ2 LYS 84 1HZ LYS 84 -4.289 -4.298 -9.752 589 HZ3 LYS 84 2HZ LYS 84 -5.644 -5.139 -9.444 590 H GLN 85 H GLN 85 -6.207 -1.637 -4.494 591 HA GLN 85 HA GLN 85 -6.757 -1.226 -1.594 592 HB2 GLN 85 1HB GLN 85 -7.521 0.546 -3.104 593 HB3 GLN 85 2HB GLN 85 -8.498 -0.591 -4.007 594 HG2 GLN 85 1HG GLN 85 -10.156 -0.631 -2.362 595 HG3 GLN 85 2HG GLN 85 -8.992 -0.323 -1.074 596 HE21 GLN 85 1HE2 GLN 85 -10.812 1.413 -3.707 597 HE22 GLN 85 2HE2 GLN 85 -10.359 2.966 -3.057 598 H ASP 86 H ASP 86 -8.586 -2.424 -0.778 599 HA ASP 86 HA ASP 86 -8.612 -5.112 -0.922 600 HB2 ASP 86 1HB ASP 86 -9.904 -3.762 0.688 601 HB3 ASP 86 2HB ASP 86 -11.038 -3.280 -0.598 602 H GLU 87 H GLU 87 -10.892 -3.120 -2.664 603 HA GLU 87 HA GLU 87 -11.587 -5.310 -4.597 604 HB2 GLU 87 1HB GLU 87 -13.147 -3.191 -3.083 605 HB3 GLU 87 2HB GLU 87 -13.843 -3.975 -4.480 606 HG2 GLU 87 1HG GLU 87 -12.684 -5.724 -2.342 607 HG3 GLU 87 2HG GLU 87 -14.197 -4.881 -2.003 608 H SER 88 H SER 88 -9.998 -2.525 -4.442 609 HA SER 88 HA SER 88 -10.705 -1.638 -7.192 610 HB2 SER 88 1HB SER 88 -9.733 0.615 -5.569 611 HB3 SER 88 2HB SER 88 -11.090 0.508 -6.706 612 HG SER 88 HG SER 88 -11.983 -0.828 -4.843 613 H GLY 89 H GLY 89 -8.858 0.205 -7.676 614 HA2 GLY 89 1HA GLY 89 -6.370 -1.464 -7.692 615 HA3 GLY 89 2HA GLY 89 -7.438 -1.584 -9.067 616 H LYS 90 H LYS 90 -7.364 1.613 -7.806 617 HA LYS 90 HA LYS 90 -5.761 2.583 -10.061 618 HB2 LYS 90 1HB LYS 90 -7.297 3.959 -7.823 619 HB3 LYS 90 2HB LYS 90 -6.310 4.786 -9.012 620 HG2 LYS 90 1HG LYS 90 -8.609 4.851 -9.658 621 HG3 LYS 90 2HG LYS 90 -7.669 3.927 -10.854 622 HD2 LYS 90 1HD LYS 90 -8.717 1.857 -10.094 623 HD3 LYS 90 2HD LYS 90 -9.434 2.695 -8.693 624 HE2 LYS 90 1HE LYS 90 -10.688 4.129 -10.418 625 HE3 LYS 90 2HE LYS 90 -10.139 2.990 -11.644 626 HZ1 LYS 90 3HZ LYS 90 -11.789 2.355 -9.276 627 HZ2 LYS 90 1HZ LYS 90 -11.267 1.233 -10.331 628 HZ3 LYS 90 2HZ LYS 90 -12.343 2.387 -10.821 629 H THR 91 H THR 91 -3.618 2.039 -9.760 630 HA THR 91 HA THR 91 -2.672 1.687 -7.044 631 HB THR 91 HB THR 91 -0.532 0.979 -8.243 632 HG1 THR 91 1HG THR 91 -0.624 1.820 -10.211 633 HG21 THR 91 3HG2 THR 91 -1.401 -1.158 -8.958 634 HG22 THR 91 1HG2 THR 91 -3.040 -0.500 -9.148 635 HG23 THR 91 2HG2 THR 91 -2.319 -0.651 -7.535 636 H LEU 92 H LEU 92 -1.739 3.262 -5.817 637 HA LEU 92 HA LEU 92 -1.307 5.872 -7.176 638 HB2 LEU 92 1HB LEU 92 -0.993 5.262 -4.229 639 HB3 LEU 92 2HB LEU 92 -0.840 6.832 -4.986 640 HG LEU 92 HG LEU 92 -3.374 5.195 -4.693 641 HD11 LEU 92 1HD1 LEU 92 -4.043 6.975 -3.197 642 HD12 LEU 92 2HD1 LEU 92 -2.608 7.942 -3.608 643 HD13 LEU 92 3HD1 LEU 92 -2.440 6.433 -2.695 644 HD21 LEU 92 3HD2 LEU 92 -3.151 7.945 -5.950 645 HD22 LEU 92 1HD2 LEU 92 -4.611 6.982 -5.782 646 HD23 LEU 92 2HD2 LEU 92 -3.377 6.446 -6.900 647 H SER 93 H SER 93 0.608 6.541 -7.846 648 HA SER 93 HA SER 93 3.095 5.144 -7.062 649 HB2 SER 93 1HB SER 93 2.623 7.627 -8.766 650 HB3 SER 93 2HB SER 93 4.131 6.681 -8.642 651 HG SER 93 HG SER 93 2.682 6.222 -10.515 652 H LEU 94 H LEU 94 4.232 5.823 -5.273 653 HA LEU 94 HA LEU 94 3.598 8.451 -3.999 654 HB2 LEU 94 1HB LEU 94 2.791 6.310 -2.877 655 HB3 LEU 94 2HB LEU 94 4.465 5.809 -2.752 656 HG LEU 94 HG LEU 94 2.930 7.889 -1.208 657 HD11 LEU 94 1HD1 LEU 94 5.043 5.880 -0.396 658 HD12 LEU 94 2HD1 LEU 94 3.298 5.513 -0.483 659 HD13 LEU 94 3HD1 LEU 94 3.869 6.697 0.661 660 HD21 LEU 94 3HD2 LEU 94 4.755 9.314 -1.857 661 HD22 LEU 94 1HD2 LEU 94 5.946 8.025 -1.480 662 HD23 LEU 94 2HD2 LEU 94 5.035 8.806 -0.196 663 H LYS 95 H LYS 95 5.284 9.712 -4.650 664 HA LYS 95 HA LYS 95 8.007 8.489 -4.856 665 HB2 LYS 95 1HB LYS 95 6.891 8.950 -6.977 666 HB3 LYS 95 2HB LYS 95 6.600 10.621 -6.511 667 HG2 LYS 95 1HG LYS 95 9.073 10.989 -6.418 668 HG3 LYS 95 2HG LYS 95 9.323 9.320 -6.962 669 HD2 LYS 95 1HD LYS 95 7.795 11.415 -8.542 670 HD3 LYS 95 2HD LYS 95 9.536 11.116 -8.719 671 HE2 LYS 95 1HE LYS 95 9.159 8.803 -9.381 672 HE3 LYS 95 2HE LYS 95 7.447 8.939 -9.001 673 HZ1 LYS 95 3HZ LYS 95 8.865 10.132 -11.273 674 HZ2 LYS 95 1HZ LYS 95 7.424 10.736 -10.785 675 HZ3 LYS 95 2HZ LYS 95 7.524 9.158 -11.240 676 H ILE 96 H ILE 96 8.978 9.073 -2.927 677 HA ILE 96 HA ILE 96 8.691 11.923 -2.018 678 HB ILE 96 HB ILE 96 9.995 9.599 -0.598 679 HG12 ILE 96 1HG1 ILE 96 7.597 10.665 0.689 680 HG13 ILE 96 2HG1 ILE 96 7.198 10.065 -0.895 681 HG21 ILE 96 1HG2 ILE 96 10.929 11.730 0.156 682 HG22 ILE 96 2HG2 ILE 96 9.310 12.434 0.313 683 HG23 ILE 96 3HG2 ILE 96 9.828 11.155 1.407 684 HD11 ILE 96 3HD1 ILE 96 8.750 8.495 1.210 685 HD12 ILE 96 1HD1 ILE 96 7.049 8.247 0.795 686 HD13 ILE 96 2HD1 ILE 96 8.302 7.921 -0.411 687 H VAL 97 H VAL 97 10.247 13.289 -2.830 688 HA VAL 97 HA VAL 97 12.876 12.117 -3.643 689 HB VAL 97 HB VAL 97 11.285 14.546 -4.533 690 HG11 VAL 97 1HG1 VAL 97 12.974 15.136 -6.100 691 HG12 VAL 97 2HG1 VAL 97 13.761 15.034 -4.531 692 HG13 VAL 97 3HG1 VAL 97 13.970 13.731 -5.719 693 HG21 VAL 97 3HG2 VAL 97 11.326 13.419 -6.767 694 HG22 VAL 97 1HG2 VAL 97 12.090 12.002 -6.014 695 HG23 VAL 97 2HG2 VAL 97 10.445 12.523 -5.537 696 H GLN 98 H GLN 98 14.146 12.255 -1.725 697 HA GLN 98 HA GLN 98 14.224 14.942 -0.518 698 HB2 GLN 98 1HB GLN 98 13.897 14.221 1.621 699 HB3 GLN 98 2HB GLN 98 12.679 13.354 0.711 700 HG2 GLN 98 1HG GLN 98 13.393 11.373 1.446 701 HG3 GLN 98 2HG GLN 98 15.074 11.698 1.063 702 HE21 GLN 98 1HE2 GLN 98 16.427 11.890 2.797 703 HE22 GLN 98 2HE2 GLN 98 15.903 12.269 4.440 704 HA PRO 99 HA PRO 99 18.698 14.305 -0.450 705 HB2 PRO 99 1HB PRO 99 19.468 16.015 1.496 706 HB3 PRO 99 2HB PRO 99 18.648 16.613 0.025 707 HG2 PRO 99 1HG PRO 99 17.351 15.899 2.690 708 HG3 PRO 99 2HG PRO 99 17.297 17.474 1.846 709 HD2 PRO 99 1HD PRO 99 15.348 15.667 1.494 710 HD3 PRO 99 2HD PRO 99 15.954 16.570 0.084 711 H GLY 100 H GLY 100 20.337 14.285 1.923 712 HA2 GLY 100 1HA GLY 100 19.108 12.291 3.628 713 HA3 GLY 100 2HA GLY 100 20.484 11.724 2.664 714 H LYS 101 H LYS 101 20.570 11.565 5.328 715 HA LYS 101 HA LYS 101 22.386 13.733 6.296 716 HB2 LYS 101 1HB LYS 101 21.798 12.975 8.574 717 HB3 LYS 101 2HB LYS 101 20.401 13.598 7.700 718 HG2 LYS 101 1HG LYS 101 19.482 11.441 7.370 719 HG3 LYS 101 2HG LYS 101 20.993 10.613 7.821 720 HD2 LYS 101 1HD LYS 101 20.699 10.968 10.094 721 HD3 LYS 101 2HD LYS 101 19.690 12.404 9.816 722 HE2 LYS 101 1HE LYS 101 17.907 10.907 8.916 723 HE3 LYS 101 2HE LYS 101 18.816 9.518 9.540 724 HZ1 LYS 101 3HZ LYS 101 17.948 11.824 11.183 725 HZ2 LYS 101 1HZ LYS 101 18.511 10.373 11.760 726 HZ3 LYS 101 2HZ LYS 101 17.059 10.441 11.021 727 H THR 102 H THR 102 23.948 12.728 8.005 728 HA THR 102 HA THR 102 24.674 9.939 7.688 729 HB THR 102 HB THR 102 27.166 10.809 7.586 730 HG1 THR 102 1HG THR 102 26.300 13.010 7.366 731 HG21 THR 102 3HG2 THR 102 25.497 10.551 5.065 732 HG22 THR 102 1HG2 THR 102 26.222 9.219 5.979 733 HG23 THR 102 2HG2 THR 102 27.266 10.411 5.162 734 H SER 103 H SER 103 23.994 9.810 9.796 735 HA SER 103 HA SER 103 25.748 11.071 11.768 736 HB2 SER 103 1HB SER 103 23.553 12.434 11.437 737 HB3 SER 103 2HB SER 103 22.755 11.069 12.241 738 HG SER 103 HG SER 103 23.600 12.969 13.477 739 H ILE 104 H ILE 104 24.668 10.060 14.030 740 HA ILE 104 HA ILE 104 25.223 7.171 13.720 741 HB ILE 104 HB ILE 104 24.842 8.787 16.283 742 HG12 ILE 104 1HG1 ILE 104 27.465 8.235 16.348 743 HG13 ILE 104 2HG1 ILE 104 27.309 8.285 14.598 744 HG21 ILE 104 1HG2 ILE 104 26.041 6.025 15.765 745 HG22 ILE 104 2HG2 ILE 104 25.934 6.837 17.335 746 HG23 ILE 104 3HG2 ILE 104 24.466 6.334 16.505 747 HD11 ILE 104 3HD1 ILE 104 26.541 10.517 16.546 748 HD12 ILE 104 1HD1 ILE 104 28.036 10.437 15.603 749 HD13 ILE 104 2HD1 ILE 104 26.490 10.645 14.774 750 H ASP 105 H ASP 105 23.295 6.874 12.499 751 HA ASP 105 HA ASP 105 20.642 7.160 13.757 752 HB2 ASP 105 1HB ASP 105 20.850 7.648 11.365 753 HB3 ASP 105 2HB ASP 105 21.593 6.064 11.057 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -23.929 -7.240 -4.816 2 HA2 GLY 1 1HA GLY 1 -25.542 -8.341 -3.256 3 HA3 GLY 1 2HA GLY 1 -25.970 -6.698 -2.734 4 H HIS 2 H HIS 2 -27.387 -8.999 -4.332 5 HA HIS 2 HA HIS 2 -27.645 -8.216 -7.031 6 HB2 HIS 2 1HB HIS 2 -28.032 -10.495 -6.204 7 HB3 HIS 2 2HB HIS 2 -29.447 -9.949 -5.302 8 HD1 HIS 2 1HD HIS 2 -31.488 -8.935 -6.925 9 HD2 HIS 2 2HD HIS 2 -28.447 -11.231 -8.718 10 HE1 HIS 2 1HE HIS 2 -32.383 -9.697 -9.226 11 H MET 3 H MET 3 -28.091 -6.012 -7.113 12 HA MET 3 HA MET 3 -30.960 -5.462 -7.181 13 HB2 MET 3 1HB MET 3 -28.903 -3.558 -5.927 14 HB3 MET 3 2HB MET 3 -30.517 -3.095 -6.465 15 HG2 MET 3 1HG MET 3 -30.859 -3.365 -4.224 16 HG3 MET 3 2HG MET 3 -31.416 -4.903 -4.875 17 HE1 MET 3 3HE MET 3 -31.433 -6.209 -2.716 18 HE2 MET 3 1HE MET 3 -30.179 -6.115 -1.460 19 HE3 MET 3 2HE MET 3 -31.123 -4.667 -1.880 20 H GLY 4 H GLY 4 -31.357 -3.811 -8.855 21 HA2 GLY 4 1HA GLY 4 -29.350 -3.838 -11.005 22 HA3 GLY 4 2HA GLY 4 -31.012 -3.247 -11.087 23 H SER 5 H SER 5 -29.695 -1.875 -8.273 24 HA SER 5 HA SER 5 -29.849 0.717 -9.185 25 HB2 SER 5 1HB SER 5 -27.975 -0.199 -6.978 26 HB3 SER 5 2HB SER 5 -28.891 1.308 -7.067 27 HG SER 5 HG SER 5 -29.766 -0.258 -5.609 28 HA PRO 6 HA PRO 6 -25.927 1.217 -11.340 29 HB2 PRO 6 1HB PRO 6 -25.492 3.921 -11.121 30 HB3 PRO 6 2HB PRO 6 -26.726 3.216 -12.206 31 HG2 PRO 6 1HG PRO 6 -27.117 4.348 -9.421 32 HG3 PRO 6 2HG PRO 6 -28.086 4.674 -10.894 33 HD2 PRO 6 1HD PRO 6 -28.869 2.849 -9.023 34 HD3 PRO 6 2HD PRO 6 -29.153 2.567 -10.768 35 H VAL 7 H VAL 7 -23.691 1.427 -10.778 36 HA VAL 7 HA VAL 7 -23.089 2.101 -7.952 37 HB VAL 7 HB VAL 7 -21.676 0.061 -9.728 38 HG11 VAL 7 1HG1 VAL 7 -20.291 0.987 -7.944 39 HG12 VAL 7 2HG1 VAL 7 -21.513 0.559 -6.728 40 HG13 VAL 7 3HG1 VAL 7 -20.671 -0.714 -7.656 41 HG21 VAL 7 3HG2 VAL 7 -22.687 -1.734 -8.463 42 HG22 VAL 7 1HG2 VAL 7 -23.576 -0.605 -7.430 43 HG23 VAL 7 2HG2 VAL 7 -23.993 -0.771 -9.139 44 H SER 8 H SER 8 -21.242 3.326 -7.593 45 HA SER 8 HA SER 8 -19.451 3.968 -9.855 46 HB2 SER 8 1HB SER 8 -20.499 6.034 -7.869 47 HB3 SER 8 2HB SER 8 -19.252 6.298 -9.093 48 HG SER 8 HG SER 8 -20.885 5.746 -10.684 49 H TYR 9 H TYR 9 -17.607 2.984 -9.145 50 HA TYR 9 HA TYR 9 -16.876 3.076 -6.274 51 HB2 TYR 9 1HB TYR 9 -15.689 1.797 -8.728 52 HB3 TYR 9 2HB TYR 9 -14.711 2.127 -7.315 53 HD1 TYR 9 2HD TYR 9 -18.191 0.682 -7.719 54 HD2 TYR 9 1HD TYR 9 -14.272 0.319 -6.055 55 HE1 TYR 9 2HE TYR 9 -18.896 -1.387 -6.568 56 HE2 TYR 9 1HE TYR 9 -14.927 -1.771 -4.888 57 HH TYR 9 HH TYR 9 -16.854 -3.086 -4.164 58 H TYR 10 H TYR 10 -15.082 4.253 -5.632 59 HA TYR 10 HA TYR 10 -14.139 6.473 -7.374 60 HB2 TYR 10 1HB TYR 10 -14.711 6.365 -4.377 61 HB3 TYR 10 2HB TYR 10 -13.826 7.652 -5.181 62 HD1 TYR 10 2HD TYR 10 -17.201 5.909 -5.274 63 HD2 TYR 10 1HD TYR 10 -14.970 9.561 -5.917 64 HE1 TYR 10 2HE TYR 10 -19.281 7.090 -5.811 65 HE2 TYR 10 1HE TYR 10 -17.070 10.775 -6.263 66 HH TYR 10 HH TYR 10 -19.430 10.606 -5.914 67 H PHE 11 H PHE 11 -12.001 6.102 -7.847 68 HA PHE 11 HA PHE 11 -10.288 4.889 -5.798 69 HB2 PHE 11 1HB PHE 11 -9.277 3.378 -7.633 70 HB3 PHE 11 2HB PHE 11 -10.779 2.903 -6.899 71 HD1 PHE 11 1HD PHE 11 -9.247 4.314 -10.023 72 HD2 PHE 11 2HD PHE 11 -12.764 2.606 -8.207 73 HE1 PHE 11 1HE PHE 11 -10.248 4.001 -12.256 74 HE2 PHE 11 2HE PHE 11 -13.769 2.301 -10.450 75 HZ PHE 11 HZ PHE 11 -12.503 2.987 -12.488 76 H SER 12 H SER 12 -10.074 7.358 -5.856 77 HA SER 12 HA SER 12 -7.494 7.871 -7.065 78 HB2 SER 12 1HB SER 12 -8.327 9.972 -8.085 79 HB3 SER 12 2HB SER 12 -8.912 8.522 -8.910 80 HG SER 12 HG SER 12 -10.802 9.456 -8.657 81 H TYR 13 H TYR 13 -7.477 10.642 -6.480 82 HA TYR 13 HA TYR 13 -7.306 10.690 -3.591 83 HB2 TYR 13 1HB TYR 13 -6.606 12.387 -5.886 84 HB3 TYR 13 2HB TYR 13 -7.217 13.303 -4.563 85 HD1 TYR 13 1HD TYR 13 -4.565 10.778 -5.398 86 HD2 TYR 13 2HD TYR 13 -5.983 13.834 -2.684 87 HE1 TYR 13 1HE TYR 13 -2.359 10.760 -4.200 88 HE2 TYR 13 2HE TYR 13 -3.887 13.750 -1.459 89 HH TYR 13 HH TYR 13 -1.684 13.287 -1.821 90 H ALA 14 H ALA 14 -8.422 12.821 -2.567 91 HA ALA 14 HA ALA 14 -11.213 13.086 -3.567 92 HB1 ALA 14 1HB ALA 14 -11.701 14.063 -1.382 93 HB2 ALA 14 2HB ALA 14 -10.948 12.471 -1.124 94 HB3 ALA 14 3HB ALA 14 -9.995 13.957 -0.907 95 H ASP 15 H ASP 15 -8.160 14.745 -3.000 96 HA ASP 15 HA ASP 15 -9.333 17.314 -3.987 97 HB2 ASP 15 1HB ASP 15 -8.813 16.700 -1.384 98 HB3 ASP 15 2HB ASP 15 -7.241 17.305 -1.840 99 H GLY 16 H GLY 16 -7.453 15.149 -5.212 100 HA2 GLY 16 1HA GLY 16 -4.842 16.649 -5.138 101 HA3 GLY 16 2HA GLY 16 -5.000 14.931 -4.890 102 H GLY 17 H GLY 17 -6.269 13.811 -6.877 103 HA2 GLY 17 1HA GLY 17 -5.606 14.016 -9.460 104 HA3 GLY 17 2HA GLY 17 -4.010 14.141 -8.723 105 H THR 18 H THR 18 -3.034 12.217 -8.826 106 HA THR 18 HA THR 18 -4.504 9.754 -8.026 107 HB THR 18 HB THR 18 -3.361 8.734 -10.134 108 HG1 THR 18 1HG THR 18 -2.234 10.528 -10.873 109 HG21 THR 18 3HG2 THR 18 -5.340 9.189 -11.467 110 HG22 THR 18 1HG2 THR 18 -5.793 10.518 -10.406 111 HG23 THR 18 2HG2 THR 18 -5.771 8.857 -9.782 112 H SER 19 H SER 19 -1.773 11.557 -7.377 113 HA SER 19 HA SER 19 -0.647 9.318 -5.931 114 HB2 SER 19 1HB SER 19 0.698 10.422 -8.421 115 HB3 SER 19 2HB SER 19 1.670 9.793 -7.100 116 HG SER 19 HG SER 19 -0.415 8.363 -8.384 117 H HIS 20 H HIS 20 1.482 10.049 -4.884 118 HA HIS 20 HA HIS 20 1.392 12.875 -4.098 119 HB2 HIS 20 1HB HIS 20 2.218 11.675 -1.808 120 HB3 HIS 20 2HB HIS 20 0.665 12.334 -2.109 121 HD1 HIS 20 1HD HIS 20 -1.131 10.707 -1.350 122 HD2 HIS 20 2HD HIS 20 2.205 8.779 -2.925 123 HE1 HIS 20 1HE HIS 20 -1.625 8.200 -1.196 124 H THR 21 H THR 21 3.254 13.941 -3.548 125 HA THR 21 HA THR 21 5.827 12.558 -3.938 126 HB THR 21 HB THR 21 5.333 15.266 -5.197 127 HG1 THR 21 1HG THR 21 4.071 14.482 -6.521 128 HG21 THR 21 3HG2 THR 21 7.147 14.565 -6.712 129 HG22 THR 21 1HG2 THR 21 7.294 13.031 -5.858 130 HG23 THR 21 2HG2 THR 21 7.667 14.541 -5.013 131 H GLU 22 H GLU 22 7.517 13.607 -2.666 132 HA GLU 22 HA GLU 22 6.943 16.357 -1.947 133 HB2 GLU 22 1HB GLU 22 7.648 16.236 0.310 134 HB3 GLU 22 2HB GLU 22 6.214 15.235 0.077 135 HG2 GLU 22 1HG GLU 22 7.424 13.223 0.344 136 HG3 GLU 22 2HG GLU 22 8.983 14.009 0.086 137 H TYR 23 H TYR 23 8.830 17.487 -1.244 138 HA TYR 23 HA TYR 23 11.404 16.384 -2.105 139 HB2 TYR 23 1HB TYR 23 10.303 19.080 -3.002 140 HB3 TYR 23 2HB TYR 23 11.920 18.465 -3.299 141 HD1 TYR 23 2HD TYR 23 8.342 18.172 -4.164 142 HD2 TYR 23 1HD TYR 23 12.303 16.738 -4.984 143 HE1 TYR 23 2HE TYR 23 7.507 17.153 -6.244 144 HE2 TYR 23 1HE TYR 23 11.481 15.675 -7.101 145 HH TYR 23 HH TYR 23 8.056 15.848 -8.072 146 HA PRO 24 HA PRO 24 11.087 18.609 2.003 147 HB2 PRO 24 1HB PRO 24 12.507 16.881 3.549 148 HB3 PRO 24 2HB PRO 24 10.786 16.589 3.140 149 HG2 PRO 24 1HG PRO 24 13.226 15.480 1.762 150 HG3 PRO 24 2HG PRO 24 11.814 14.567 2.337 151 HD2 PRO 24 1HD PRO 24 12.014 15.332 -0.252 152 HD3 PRO 24 2HD PRO 24 10.449 15.424 0.595 153 H ASP 25 H ASP 25 13.067 19.238 3.453 154 HA ASP 25 HA ASP 25 15.298 19.980 1.630 155 HB2 ASP 25 1HB ASP 25 14.586 22.222 1.306 156 HB3 ASP 25 2HB ASP 25 13.233 21.204 0.853 157 H ASP 26 H ASP 26 14.456 19.303 4.665 158 HA ASP 26 HA ASP 26 16.613 20.671 5.962 159 HB2 ASP 26 1HB ASP 26 14.943 22.576 5.729 160 HB3 ASP 26 2HB ASP 26 13.845 21.694 6.780 161 H SER 27 H SER 27 13.293 19.792 7.013 162 HA SER 27 HA SER 27 13.831 17.087 7.548 163 HB2 SER 27 1HB SER 27 15.058 18.002 9.514 164 HB3 SER 27 2HB SER 27 13.578 18.792 10.060 165 HG SER 27 HG SER 27 13.658 16.891 11.132 166 H SER 28 H SER 28 11.927 16.960 6.256 167 HA SER 28 HA SER 28 9.450 17.510 7.842 168 HB2 SER 28 1HB SER 28 9.707 17.501 4.814 169 HB3 SER 28 2HB SER 28 8.218 17.734 5.732 170 HG SER 28 HG SER 28 8.688 19.698 5.458 171 H ALA 29 H ALA 29 11.171 15.178 7.789 172 HA ALA 29 HA ALA 29 9.471 12.981 6.743 173 HB1 ALA 29 1HB ALA 29 11.906 12.604 7.003 174 HB2 ALA 29 2HB ALA 29 11.780 12.951 8.746 175 HB3 ALA 29 3HB ALA 29 10.979 11.525 8.065 176 H GLY 30 H GLY 30 8.055 11.592 8.223 177 HA2 GLY 30 1HA GLY 30 7.946 11.559 10.847 178 HA3 GLY 30 2HA GLY 30 6.990 13.028 10.489 179 H SER 31 H SER 31 4.967 12.060 11.055 180 HA SER 31 HA SER 31 3.997 9.885 9.263 181 HB2 SER 31 1HB SER 31 3.465 9.974 12.238 182 HB3 SER 31 2HB SER 31 3.081 8.681 11.091 183 HG SER 31 HG SER 31 5.558 9.479 12.176 184 H PHE 32 H PHE 32 2.507 10.981 8.070 185 HA PHE 32 HA PHE 32 0.306 12.403 9.534 186 HB2 PHE 32 1HB PHE 32 0.158 14.095 7.929 187 HB3 PHE 32 2HB PHE 32 1.760 14.025 8.600 188 HD1 PHE 32 2HD PHE 32 3.504 12.467 7.099 189 HD2 PHE 32 1HD PHE 32 0.051 14.642 5.650 190 HE1 PHE 32 2HE PHE 32 4.529 12.646 4.911 191 HE2 PHE 32 1HE PHE 32 1.224 15.007 3.523 192 HZ PHE 32 HZ PHE 32 3.432 13.969 3.094 193 H ILE 33 H ILE 33 -1.343 12.955 7.309 194 HA ILE 33 HA ILE 33 -2.118 10.382 6.129 195 HB ILE 33 HB ILE 33 -4.115 12.133 7.642 196 HG12 ILE 33 1HG1 ILE 33 -2.769 9.547 8.495 197 HG13 ILE 33 2HG1 ILE 33 -2.816 11.073 9.351 198 HG21 ILE 33 1HG2 ILE 33 -4.480 9.367 6.396 199 HG22 ILE 33 2HG2 ILE 33 -5.727 10.337 7.209 200 HG23 ILE 33 3HG2 ILE 33 -5.090 10.897 5.706 201 HD11 ILE 33 3HD1 ILE 33 -5.098 9.104 8.978 202 HD12 ILE 33 1HD1 ILE 33 -4.294 9.542 10.464 203 HD13 ILE 33 2HD1 ILE 33 -5.309 10.750 9.651 204 H LEU 34 H LEU 34 -3.578 10.839 4.149 205 HA LEU 34 HA LEU 34 -3.567 13.635 3.213 206 HB2 LEU 34 1HB LEU 34 -2.725 11.113 1.716 207 HB3 LEU 34 2HB LEU 34 -2.999 12.648 0.956 208 HG LEU 34 HG LEU 34 -0.876 12.296 3.153 209 HD11 LEU 34 1HD1 LEU 34 -0.512 12.446 0.133 210 HD12 LEU 34 2HD1 LEU 34 -0.313 10.979 1.127 211 HD13 LEU 34 3HD1 LEU 34 0.763 12.364 1.361 212 HD21 LEU 34 3HD2 LEU 34 -1.566 14.557 3.043 213 HD22 LEU 34 1HD2 LEU 34 -1.682 14.527 1.255 214 HD23 LEU 34 2HD2 LEU 34 -0.112 14.467 2.049 215 H ASP 35 H ASP 35 -4.949 13.657 1.106 216 HA ASP 35 HA ASP 35 -7.568 12.840 2.224 217 HB2 ASP 35 1HB ASP 35 -6.768 15.183 0.470 218 HB3 ASP 35 2HB ASP 35 -8.403 14.853 1.069 219 H ILE 36 H ILE 36 -7.956 10.850 1.254 220 HA ILE 36 HA ILE 36 -8.038 10.735 -1.713 221 HB ILE 36 HB ILE 36 -6.738 8.910 0.332 222 HG12 ILE 36 1HG1 ILE 36 -5.257 9.794 -2.133 223 HG13 ILE 36 2HG1 ILE 36 -5.645 11.084 -1.034 224 HG21 ILE 36 1HG2 ILE 36 -6.038 7.485 -1.592 225 HG22 ILE 36 2HG2 ILE 36 -7.771 7.373 -1.241 226 HG23 ILE 36 3HG2 ILE 36 -7.191 8.343 -2.616 227 HD11 ILE 36 3HD1 ILE 36 -4.552 9.886 0.817 228 HD12 ILE 36 1HD1 ILE 36 -4.099 8.590 -0.319 229 HD13 ILE 36 2HD1 ILE 36 -3.467 10.240 -0.549 230 H THR 37 H THR 37 -9.410 8.881 -2.590 231 HA THR 37 HA THR 37 -11.777 8.512 -0.835 232 HB THR 37 HB THR 37 -11.838 8.897 -3.852 233 HG1 THR 37 1HG THR 37 -11.176 10.835 -3.386 234 HG21 THR 37 3HG2 THR 37 -13.873 7.996 -2.713 235 HG22 THR 37 1HG2 THR 37 -14.155 9.619 -3.368 236 HG23 THR 37 2HG2 THR 37 -13.850 9.405 -1.626 237 H SER 38 H SER 38 -12.784 6.459 -0.943 238 HA SER 38 HA SER 38 -11.524 4.350 -2.577 239 HB2 SER 38 1HB SER 38 -10.856 3.302 -0.276 240 HB3 SER 38 2HB SER 38 -9.876 4.574 -1.007 241 HG SER 38 HG SER 38 -11.899 5.273 0.806 242 H TYR 39 H TYR 39 -14.251 4.994 -2.672 243 HA TYR 39 HA TYR 39 -15.542 2.851 -1.048 244 HB2 TYR 39 1HB TYR 39 -17.361 4.227 -0.343 245 HB3 TYR 39 2HB TYR 39 -15.867 4.935 0.208 246 HD1 TYR 39 1HD TYR 39 -18.649 5.277 -2.242 247 HD2 TYR 39 2HD TYR 39 -15.281 7.186 -0.342 248 HE1 TYR 39 1HE TYR 39 -19.320 7.472 -3.200 249 HE2 TYR 39 2HE TYR 39 -15.996 9.357 -1.248 250 HH TYR 39 HH TYR 39 -17.527 10.466 -2.729 251 H LYS 40 H LYS 40 -17.798 2.399 -1.779 252 HA LYS 40 HA LYS 40 -18.187 2.927 -4.682 253 HB2 LYS 40 1HB LYS 40 -19.251 0.829 -4.953 254 HB3 LYS 40 2HB LYS 40 -17.563 0.667 -4.405 255 HG2 LYS 40 1HG LYS 40 -18.398 -0.915 -3.015 256 HG3 LYS 40 2HG LYS 40 -18.829 0.474 -2.037 257 HD2 LYS 40 1HD LYS 40 -20.831 -0.769 -2.143 258 HD3 LYS 40 2HD LYS 40 -21.038 0.536 -3.320 259 HE2 LYS 40 1HE LYS 40 -21.910 -1.516 -4.236 260 HE3 LYS 40 2HE LYS 40 -20.481 -1.052 -5.160 261 HZ1 LYS 40 3HZ LYS 40 -20.742 -3.439 -4.533 262 HZ2 LYS 40 1HZ LYS 40 -20.400 -3.074 -2.994 263 HZ3 LYS 40 2HZ LYS 40 -19.272 -2.827 -4.174 264 H LYS 41 H LYS 41 -19.916 4.000 -5.071 265 HA LYS 41 HA LYS 41 -21.996 4.555 -3.009 266 HB2 LYS 41 1HB LYS 41 -20.727 6.394 -4.273 267 HB3 LYS 41 2HB LYS 41 -21.535 5.867 -5.743 268 HG2 LYS 41 1HG LYS 41 -23.722 6.482 -4.742 269 HG3 LYS 41 2HG LYS 41 -22.907 6.874 -3.211 270 HD2 LYS 41 1HD LYS 41 -21.457 8.529 -4.588 271 HD3 LYS 41 2HD LYS 41 -22.645 8.306 -5.889 272 HE2 LYS 41 1HE LYS 41 -24.441 9.056 -4.306 273 HE3 LYS 41 2HE LYS 41 -23.216 9.223 -3.041 274 HZ1 LYS 41 3HZ LYS 41 -22.121 10.891 -4.485 275 HZ2 LYS 41 1HZ LYS 41 -23.592 11.324 -3.929 276 HZ3 LYS 41 2HZ LYS 41 -23.420 10.870 -5.497 277 H THR 42 H THR 42 -24.052 3.753 -3.467 278 HA THR 42 HA THR 42 -24.862 3.216 -6.119 279 HB THR 42 HB THR 42 -23.590 1.220 -6.055 280 HG1 THR 42 1HG THR 42 -25.529 1.023 -6.988 281 HG21 THR 42 3HG2 THR 42 -23.161 0.852 -3.738 282 HG22 THR 42 1HG2 THR 42 -23.863 -0.599 -4.457 283 HG23 THR 42 2HG2 THR 42 -24.874 0.447 -3.433 284 H GLY 43 H GLY 43 -27.011 3.462 -6.172 285 HA2 GLY 43 1HA GLY 43 -29.056 4.155 -5.483 286 HA3 GLY 43 2HA GLY 43 -28.994 2.827 -4.311 287 H ASN 44 H ASN 44 -28.372 3.267 -2.179 288 HA ASN 44 HA ASN 44 -28.487 6.151 -1.407 289 HB2 ASN 44 1HB ASN 44 -30.244 3.905 -0.355 290 HB3 ASN 44 2HB ASN 44 -30.223 5.572 0.229 291 HD21 ASN 44 1HD2 ASN 44 -31.596 3.456 -2.195 292 HD22 ASN 44 2HD2 ASN 44 -32.370 4.755 -3.089 293 H SER 45 H SER 45 -26.180 3.959 -1.262 294 HA SER 45 HA SER 45 -25.374 5.075 1.271 295 HB2 SER 45 1HB SER 45 -26.519 2.767 1.744 296 HB3 SER 45 2HB SER 45 -25.061 2.079 1.016 297 HG SER 45 HG SER 45 -25.428 3.691 3.323 298 H THR 46 H THR 46 -23.062 4.216 1.732 299 HA THR 46 HA THR 46 -21.414 4.156 -0.723 300 HB THR 46 HB THR 46 -19.955 5.875 0.559 301 HG1 THR 46 1HG THR 46 -21.158 5.968 2.493 302 HG21 THR 46 3HG2 THR 46 -21.108 7.738 -0.501 303 HG22 THR 46 1HG2 THR 46 -22.581 6.760 -0.695 304 HG23 THR 46 2HG2 THR 46 -21.084 6.322 -1.563 305 H LYS 47 H LYS 47 -20.680 2.053 -0.373 306 HA LYS 47 HA LYS 47 -19.796 1.230 2.310 307 HB2 LYS 47 1HB LYS 47 -20.849 -0.218 0.323 308 HB3 LYS 47 2HB LYS 47 -19.165 -0.427 -0.139 309 HG2 LYS 47 1HG LYS 47 -20.194 -0.988 2.654 310 HG3 LYS 47 2HG LYS 47 -20.224 -2.188 1.373 311 HD2 LYS 47 1HD LYS 47 -17.589 -0.869 1.795 312 HD3 LYS 47 2HD LYS 47 -18.161 -1.831 3.148 313 HE2 LYS 47 1HE LYS 47 -17.917 -2.875 0.289 314 HE3 LYS 47 2HE LYS 47 -16.673 -3.049 1.529 315 HZ1 LYS 47 3HZ LYS 47 -19.390 -4.157 1.692 316 HZ2 LYS 47 1HZ LYS 47 -18.232 -4.254 2.884 317 HZ3 LYS 47 2HZ LYS 47 -18.014 -4.987 1.409 318 H ALA 48 H ALA 48 -17.978 2.233 3.026 319 HA ALA 48 HA ALA 48 -15.795 3.040 1.225 320 HB1 ALA 48 1HB ALA 48 -16.284 4.439 3.187 321 HB2 ALA 48 2HB ALA 48 -16.031 3.040 4.256 322 HB3 ALA 48 3HB ALA 48 -14.676 3.705 3.332 323 H LEU 49 H LEU 49 -13.736 2.078 1.158 324 HA LEU 49 HA LEU 49 -13.685 -0.762 2.056 325 HB2 LEU 49 1HB LEU 49 -12.411 0.509 -0.401 326 HB3 LEU 49 2HB LEU 49 -12.291 -1.160 0.075 327 HG LEU 49 HG LEU 49 -14.830 0.275 -0.825 328 HD11 LEU 49 1HD1 LEU 49 -13.238 -0.344 -2.632 329 HD12 LEU 49 2HD1 LEU 49 -14.769 -1.222 -2.713 330 HD13 LEU 49 3HD1 LEU 49 -13.317 -2.042 -2.100 331 HD21 LEU 49 3HD2 LEU 49 -14.426 -2.588 0.134 332 HD22 LEU 49 1HD2 LEU 49 -15.870 -2.015 -0.741 333 HD23 LEU 49 2HD2 LEU 49 -15.476 -1.353 0.852 334 H SER 50 H SER 50 -11.808 -1.612 2.765 335 HA SER 50 HA SER 50 -9.720 0.032 3.895 336 HB2 SER 50 1HB SER 50 -10.076 -2.939 3.293 337 HB3 SER 50 2HB SER 50 -8.666 -2.273 4.119 338 HG SER 50 HG SER 50 -11.334 -1.765 5.037 339 H TRP 51 H TRP 51 -7.438 -0.326 3.226 340 HA TRP 51 HA TRP 51 -6.915 -1.071 0.473 341 HB2 TRP 51 1HB TRP 51 -5.814 0.984 -0.158 342 HB3 TRP 51 2HB TRP 51 -7.450 1.319 0.211 343 HD1 TRP 51 HD TRP 51 -3.905 1.654 1.487 344 HE1 TRP 51 1HE TRP 51 -3.554 3.942 2.420 345 HE3 TRP 51 3HE TRP 51 -8.824 3.071 1.843 346 HZ2 TRP 51 2HZ TRP 51 -5.193 6.290 2.983 347 HZ3 TRP 51 3HZ TRP 51 -9.377 5.385 2.541 348 HH2 TRP 51 HH TRP 51 -7.590 7.020 3.031 349 H ASN 52 H ASN 52 -4.368 -0.887 0.090 350 HA ASN 52 HA ASN 52 -2.933 -1.452 2.638 351 HB2 ASN 52 1HB ASN 52 -3.877 -3.476 1.151 352 HB3 ASN 52 2HB ASN 52 -2.449 -3.117 0.175 353 HD21 ASN 52 1HD2 ASN 52 -3.631 -4.840 2.872 354 HD22 ASN 52 2HD2 ASN 52 -2.100 -5.295 3.547 355 H ALA 53 H ALA 53 -0.422 -1.675 1.967 356 HA ALA 53 HA ALA 53 0.369 -0.025 -0.306 357 HB1 ALA 53 1HB ALA 53 0.253 1.666 1.485 358 HB2 ALA 53 2HB ALA 53 1.247 0.625 2.526 359 HB3 ALA 53 3HB ALA 53 1.922 1.324 1.033 360 H SER 54 H SER 54 2.524 -0.522 -0.927 361 HA SER 54 HA SER 54 4.207 -2.211 0.744 362 HB2 SER 54 1HB SER 54 4.204 -3.937 -1.303 363 HB3 SER 54 2HB SER 54 3.095 -4.093 0.056 364 HG SER 54 HG SER 54 2.542 -3.166 -2.555 365 H GLY 55 H GLY 55 6.322 -1.953 0.173 366 HA2 GLY 55 1HA GLY 55 7.480 -1.709 -2.334 367 HA3 GLY 55 2HA GLY 55 7.073 -0.059 -1.826 368 H ASP 56 H ASP 56 8.844 0.858 -0.984 369 HA ASP 56 HA ASP 56 11.153 -0.383 -0.079 370 HB2 ASP 56 1HB ASP 56 10.118 2.416 0.535 371 HB3 ASP 56 2HB ASP 56 11.783 1.881 0.681 372 H SER 57 H SER 57 12.208 -0.168 1.992 373 HA SER 57 HA SER 57 10.769 -1.489 3.980 374 HB2 SER 57 1HB SER 57 13.487 -0.285 4.475 375 HB3 SER 57 2HB SER 57 12.881 -1.902 4.859 376 HG SER 57 HG SER 57 14.032 -2.384 3.179 377 H TRP 58 H TRP 58 11.299 1.914 3.638 378 HA TRP 58 HA TRP 58 11.038 2.486 6.550 379 HB2 TRP 58 1HB TRP 58 12.387 4.538 5.924 380 HB3 TRP 58 2HB TRP 58 13.230 3.024 5.812 381 HD1 TRP 58 HD TRP 58 13.705 2.041 3.331 382 HE1 TRP 58 1HE TRP 58 13.808 3.098 1.024 383 HE3 TRP 58 3HE TRP 58 11.468 6.520 4.398 384 HZ2 TRP 58 2HZ TRP 58 13.161 5.606 -0.180 385 HZ3 TRP 58 3HZ TRP 58 11.231 8.253 2.638 386 HH2 TRP 58 HH TRP 58 12.079 7.810 0.328 387 H ILE 59 H ILE 59 8.903 2.279 4.334 388 HA ILE 59 HA ILE 59 7.718 4.983 4.694 389 HB ILE 59 HB ILE 59 7.592 3.209 2.227 390 HG12 ILE 59 1HG1 ILE 59 8.882 5.932 2.715 391 HG13 ILE 59 2HG1 ILE 59 9.743 4.421 2.473 392 HG21 ILE 59 1HG2 ILE 59 5.434 4.392 2.774 393 HG22 ILE 59 2HG2 ILE 59 6.313 5.931 2.767 394 HG23 ILE 59 3HG2 ILE 59 6.155 4.959 1.279 395 HD11 ILE 59 3HD1 ILE 59 9.763 5.890 0.507 396 HD12 ILE 59 1HD1 ILE 59 9.023 4.324 0.149 397 HD13 ILE 59 2HD1 ILE 59 8.012 5.776 0.361 398 H HIS 60 H HIS 60 6.761 4.316 6.511 399 HA HIS 60 HA HIS 60 5.436 1.685 6.724 400 HB2 HIS 60 1HB HIS 60 5.674 3.932 8.771 401 HB3 HIS 60 2HB HIS 60 5.134 2.289 9.074 402 HD1 HIS 60 1HD HIS 60 7.024 0.452 9.313 403 HD2 HIS 60 2HD HIS 60 8.347 4.326 8.299 404 HE1 HIS 60 1HE HIS 60 9.580 0.431 9.563 405 H VAL 61 H VAL 61 3.191 1.479 6.703 406 HA VAL 61 HA VAL 61 1.627 4.013 6.351 407 HB VAL 61 HB VAL 61 1.253 1.619 4.544 408 HG11 VAL 61 1HG1 VAL 61 -0.584 3.283 4.854 409 HG12 VAL 61 2HG1 VAL 61 0.515 4.561 4.300 410 HG13 VAL 61 3HG1 VAL 61 0.049 3.248 3.195 411 HG21 VAL 61 3HG2 VAL 61 3.085 3.992 4.090 412 HG22 VAL 61 1HG2 VAL 61 3.475 2.262 4.016 413 HG23 VAL 61 2HG2 VAL 61 2.441 2.985 2.776 414 H ASN 62 H ASN 62 0.698 3.881 8.344 415 HA ASN 62 HA ASN 62 -0.260 1.345 9.320 416 HB2 ASN 62 1HB ASN 62 0.777 3.316 10.637 417 HB3 ASN 62 2HB ASN 62 -0.855 3.983 10.666 418 HD21 ASN 62 1HD2 ASN 62 1.283 1.592 11.967 419 HD22 ASN 62 2HD2 ASN 62 0.095 0.672 12.865 420 H GLY 63 H GLY 63 -1.781 0.734 7.773 421 HA2 GLY 63 1HA GLY 63 -3.916 0.423 6.971 422 HA3 GLY 63 2HA GLY 63 -4.535 1.489 8.250 423 H SER 64 H SER 64 -5.121 3.605 7.693 424 HA SER 64 HA SER 64 -4.650 4.454 4.925 425 HB2 SER 64 1HB SER 64 -6.438 6.195 5.775 426 HB3 SER 64 2HB SER 64 -6.890 4.545 5.320 427 HG SER 64 HG SER 64 -7.857 4.873 7.223 428 H SER 65 H SER 65 -3.075 4.969 7.906 429 HA SER 65 HA SER 65 -2.445 7.787 7.407 430 HB2 SER 65 1HB SER 65 -1.344 5.818 9.459 431 HB3 SER 65 2HB SER 65 -1.143 7.574 9.461 432 HG SER 65 HG SER 65 -2.859 7.577 10.626 433 H VAL 66 H VAL 66 -0.026 8.356 7.324 434 HA VAL 66 HA VAL 66 1.593 6.327 5.910 435 HB VAL 66 HB VAL 66 0.761 7.722 4.180 436 HG11 VAL 66 1HG1 VAL 66 0.972 10.203 4.146 437 HG12 VAL 66 2HG1 VAL 66 -0.130 9.616 5.387 438 HG13 VAL 66 3HG1 VAL 66 1.501 10.160 5.842 439 HG21 VAL 66 3HG2 VAL 66 3.468 8.974 4.771 440 HG22 VAL 66 1HG2 VAL 66 3.261 7.331 4.125 441 HG23 VAL 66 2HG2 VAL 66 2.683 8.734 3.204 442 H SER 67 H SER 67 3.899 6.616 6.224 443 HA SER 67 HA SER 67 4.874 8.811 7.761 444 HB2 SER 67 1HB SER 67 4.205 7.143 9.528 445 HB3 SER 67 2HB SER 67 5.193 5.932 8.688 446 HG SER 67 HG SER 67 5.921 8.043 10.328 447 H TYR 68 H TYR 68 7.215 8.800 7.632 448 HA TYR 68 HA TYR 68 8.596 6.711 6.452 449 HB2 TYR 68 1HB TYR 68 9.646 8.241 4.555 450 HB3 TYR 68 2HB TYR 68 8.239 7.242 4.292 451 HD1 TYR 68 2HD TYR 68 9.264 10.790 4.959 452 HD2 TYR 68 1HD TYR 68 6.173 8.119 3.495 453 HE1 TYR 68 2HE TYR 68 8.005 12.699 4.079 454 HE2 TYR 68 1HE TYR 68 4.919 10.027 2.643 455 HH TYR 68 HH TYR 68 6.202 13.364 2.775 456 H ASP 69 H ASP 69 10.997 7.349 6.275 457 HA ASP 69 HA ASP 69 11.689 9.397 8.306 458 HB2 ASP 69 1HB ASP 69 12.353 6.418 8.248 459 HB3 ASP 69 2HB ASP 69 13.417 7.578 9.045 460 H GLU 70 H GLU 70 14.024 9.963 8.093 461 HA GLU 70 HA GLU 70 14.627 10.387 5.313 462 HB2 GLU 70 1HB GLU 70 15.564 11.417 7.888 463 HB3 GLU 70 2HB GLU 70 16.885 11.198 6.733 464 HG2 GLU 70 1HG GLU 70 15.728 12.488 5.026 465 HG3 GLU 70 2HG GLU 70 14.279 12.607 6.040 466 H ASN 71 H ASN 71 16.849 10.175 4.408 467 HA ASN 71 HA ASN 71 17.803 7.416 4.493 468 HB2 ASN 71 1HB ASN 71 19.344 8.220 2.704 469 HB3 ASN 71 2HB ASN 71 17.637 8.368 2.292 470 HD21 ASN 71 1HD2 ASN 71 20.007 9.927 1.076 471 HD22 ASN 71 2HD2 ASN 71 19.375 11.549 1.345 472 HA PRO 72 HA PRO 72 21.050 8.867 7.280 473 HB2 PRO 72 1HB PRO 72 22.474 6.620 7.556 474 HB3 PRO 72 2HB PRO 72 20.760 6.667 8.057 475 HG2 PRO 72 1HG PRO 72 21.870 5.655 5.424 476 HG3 PRO 72 2HG PRO 72 20.775 4.801 6.539 477 HD2 PRO 72 1HD PRO 72 19.910 6.237 4.384 478 HD3 PRO 72 2HD PRO 72 18.961 6.151 5.897 479 H ALA 73 H ALA 73 21.586 8.381 3.991 480 HA ALA 73 HA ALA 73 24.518 8.927 4.175 481 HB1 ALA 73 1HB ALA 73 24.540 8.498 1.723 482 HB2 ALA 73 2HB ALA 73 23.950 7.100 2.637 483 HB3 ALA 73 3HB ALA 73 22.800 8.148 1.781 484 H LYS 74 H LYS 74 25.274 10.629 2.660 485 HA LYS 74 HA LYS 74 23.435 12.938 2.494 486 HB2 LYS 74 1HB LYS 74 25.396 14.392 2.525 487 HB3 LYS 74 2HB LYS 74 25.059 13.577 4.039 488 HG2 LYS 74 1HG LYS 74 27.077 12.644 4.123 489 HG3 LYS 74 2HG LYS 74 26.891 11.938 2.509 490 HD2 LYS 74 1HD LYS 74 27.666 13.965 1.451 491 HD3 LYS 74 2HD LYS 74 27.745 14.813 3.022 492 HE2 LYS 74 1HE LYS 74 29.470 13.344 3.832 493 HE3 LYS 74 2HE LYS 74 29.255 12.229 2.481 494 HZ1 LYS 74 3HZ LYS 74 31.182 13.644 2.216 495 HZ2 LYS 74 1HZ LYS 74 30.215 14.994 2.178 496 HZ3 LYS 74 2HZ LYS 74 30.091 13.826 1.003 497 H GLU 75 H GLU 75 22.754 11.523 0.819 498 HA GLU 75 HA GLU 75 23.770 12.619 -1.684 499 HB2 GLU 75 1HB GLU 75 23.061 9.682 -1.310 500 HB3 GLU 75 2HB GLU 75 23.319 10.474 -2.881 501 HG2 GLU 75 1HG GLU 75 25.653 11.057 -2.140 502 HG3 GLU 75 2HG GLU 75 25.389 10.088 -0.674 503 H ARG 76 H ARG 76 21.839 12.102 -3.401 504 HA ARG 76 HA ARG 76 19.309 12.888 -2.055 505 HB2 ARG 76 1HB ARG 76 20.244 13.558 -4.461 506 HB3 ARG 76 2HB ARG 76 19.531 11.999 -4.931 507 HG2 ARG 76 1HG ARG 76 17.311 12.789 -4.144 508 HG3 ARG 76 2HG ARG 76 18.075 14.275 -3.567 509 HD2 ARG 76 1HD ARG 76 18.909 14.453 -6.097 510 HD3 ARG 76 2HD ARG 76 17.548 13.369 -6.391 511 HE ARG 76 HE ARG 76 17.163 15.912 -4.868 512 HH11 ARG 76 1HH1 ARG 76 16.592 14.134 -7.936 513 HH12 ARG 76 2HH1 ARG 76 15.398 15.255 -8.482 514 HH21 ARG 76 1HH2 ARG 76 15.693 17.500 -5.748 515 HH22 ARG 76 2HH2 ARG 76 14.796 17.142 -7.153 516 H ARG 77 H ARG 77 17.411 11.450 -2.196 517 HA ARG 77 HA ARG 77 17.821 8.819 -3.355 518 HB2 ARG 77 1HB ARG 77 18.648 8.719 -0.942 519 HB3 ARG 77 2HB ARG 77 17.029 9.060 -0.406 520 HG2 ARG 77 1HG ARG 77 17.721 6.697 -0.253 521 HG3 ARG 77 2HG ARG 77 16.264 6.893 -1.227 522 HD2 ARG 77 1HD ARG 77 17.433 6.415 -3.259 523 HD3 ARG 77 2HD ARG 77 18.998 6.804 -2.526 524 HE ARG 77 HE ARG 77 19.252 4.690 -1.865 525 HH11 ARG 77 1HH1 ARG 77 15.671 5.020 -2.235 526 HH12 ARG 77 2HH1 ARG 77 15.432 3.407 -1.656 527 HH21 ARG 77 1HH2 ARG 77 18.804 2.582 -1.212 528 HH22 ARG 77 2HH2 ARG 77 17.181 2.016 -1.152 529 H THR 78 H THR 78 15.592 7.582 -3.118 530 HA THR 78 HA THR 78 13.449 9.099 -2.191 531 HB THR 78 HB THR 78 13.474 9.943 -4.513 532 HG1 THR 78 1HG THR 78 11.221 8.240 -4.218 533 HG21 THR 78 3HG2 THR 78 12.877 8.565 -6.409 534 HG22 THR 78 1HG2 THR 78 12.863 7.099 -5.406 535 HG23 THR 78 2HG2 THR 78 14.385 7.975 -5.694 536 H GLY 79 H GLY 79 11.511 7.674 -2.094 537 HA2 GLY 79 1HA GLY 79 12.021 4.771 -2.470 538 HA3 GLY 79 2HA GLY 79 10.872 5.404 -1.290 539 H LEU 80 H LEU 80 9.687 3.774 -3.063 540 HA LEU 80 HA LEU 80 7.936 5.607 -4.468 541 HB2 LEU 80 1HB LEU 80 9.933 5.156 -6.092 542 HB3 LEU 80 2HB LEU 80 9.250 3.539 -6.247 543 HG LEU 80 HG LEU 80 6.963 4.855 -6.637 544 HD11 LEU 80 1HD1 LEU 80 7.304 7.074 -7.700 545 HD12 LEU 80 2HD1 LEU 80 9.048 6.969 -7.374 546 HD13 LEU 80 3HD1 LEU 80 7.892 7.074 -6.032 547 HD21 LEU 80 3HD2 LEU 80 7.440 5.039 -9.060 548 HD22 LEU 80 1HD2 LEU 80 7.965 3.504 -8.347 549 HD23 LEU 80 2HD2 LEU 80 9.170 4.763 -8.716 550 H VAL 81 H VAL 81 6.772 4.389 -2.592 551 HA VAL 81 HA VAL 81 6.298 1.594 -3.164 552 HB VAL 81 HB VAL 81 5.132 1.398 -1.169 553 HG11 VAL 81 1HG1 VAL 81 6.644 2.202 0.425 554 HG12 VAL 81 2HG1 VAL 81 7.585 2.116 -1.069 555 HG13 VAL 81 3HG1 VAL 81 6.977 3.675 -0.508 556 HG21 VAL 81 3HG2 VAL 81 4.534 4.362 -1.148 557 HG22 VAL 81 1HG2 VAL 81 3.380 3.004 -1.220 558 HG23 VAL 81 2HG2 VAL 81 4.313 3.282 0.246 559 H THR 82 H THR 82 3.912 0.718 -3.025 560 HA THR 82 HA THR 82 2.186 2.238 -4.905 561 HB THR 82 HB THR 82 2.422 -0.787 -4.788 562 HG1 THR 82 1HG THR 82 4.005 0.993 -6.340 563 HG21 THR 82 3HG2 THR 82 1.640 -0.556 -7.187 564 HG22 THR 82 1HG2 THR 82 1.377 1.173 -6.876 565 HG23 THR 82 2HG2 THR 82 0.474 -0.064 -5.961 566 H LEU 83 H LEU 83 -0.157 1.372 -4.703 567 HA LEU 83 HA LEU 83 -0.811 0.420 -1.999 568 HB2 LEU 83 1HB LEU 83 -2.718 2.286 -3.343 569 HB3 LEU 83 2HB LEU 83 -2.588 1.949 -1.648 570 HG LEU 83 HG LEU 83 -1.002 3.840 -3.425 571 HD11 LEU 83 1HD1 LEU 83 -3.232 4.508 -2.652 572 HD12 LEU 83 2HD1 LEU 83 -1.999 5.532 -1.885 573 HD13 LEU 83 3HD1 LEU 83 -2.754 4.226 -0.961 574 HD21 LEU 83 3HD2 LEU 83 0.112 4.758 -1.391 575 HD22 LEU 83 1HD2 LEU 83 0.764 3.234 -1.955 576 HD23 LEU 83 2HD2 LEU 83 -0.302 3.242 -0.542 577 H LYS 84 H LYS 84 -3.152 -0.426 -2.009 578 HA LYS 84 HA LYS 84 -4.413 -0.661 -4.587 579 HB2 LYS 84 1HB LYS 84 -2.852 -2.811 -3.999 580 HB3 LYS 84 2HB LYS 84 -4.288 -3.297 -3.154 581 HG2 LYS 84 1HG LYS 84 -5.212 -2.332 -5.701 582 HG3 LYS 84 2HG LYS 84 -3.774 -3.317 -6.032 583 HD2 LYS 84 1HD LYS 84 -4.875 -5.075 -4.473 584 HD3 LYS 84 2HD LYS 84 -6.346 -4.085 -4.617 585 HE2 LYS 84 1HE LYS 84 -6.474 -4.447 -6.978 586 HE3 LYS 84 2HE LYS 84 -4.854 -5.166 -7.024 587 HZ1 LYS 84 3HZ LYS 84 -7.203 -6.333 -5.645 588 HZ2 LYS 84 1HZ LYS 84 -5.713 -6.965 -5.591 589 HZ3 LYS 84 2HZ LYS 84 -6.474 -6.901 -7.035 590 H GLN 85 H GLN 85 -6.688 -1.982 -4.083 591 HA GLN 85 HA GLN 85 -7.696 -0.858 -1.498 592 HB2 GLN 85 1HB GLN 85 -8.385 0.122 -3.836 593 HB3 GLN 85 2HB GLN 85 -9.368 -1.313 -3.944 594 HG2 GLN 85 1HG GLN 85 -10.973 -0.448 -2.599 595 HG3 GLN 85 2HG GLN 85 -9.799 0.099 -1.406 596 HE21 GLN 85 1HE2 GLN 85 -11.947 1.303 -3.967 597 HE22 GLN 85 2HE2 GLN 85 -11.262 2.881 -4.012 598 H ASP 86 H ASP 86 -9.711 -2.031 -0.704 599 HA ASP 86 HA ASP 86 -9.399 -4.726 -0.258 600 HB2 ASP 86 1HB ASP 86 -10.916 -3.280 1.005 601 HB3 ASP 86 2HB ASP 86 -12.011 -3.229 -0.391 602 H GLU 87 H GLU 87 -11.591 -3.323 -2.693 603 HA GLU 87 HA GLU 87 -11.641 -5.955 -4.155 604 HB2 GLU 87 1HB GLU 87 -13.541 -3.587 -4.326 605 HB3 GLU 87 2HB GLU 87 -13.639 -5.080 -5.266 606 HG2 GLU 87 1HG GLU 87 -14.179 -6.371 -3.277 607 HG3 GLU 87 2HG GLU 87 -13.919 -4.949 -2.242 608 H SER 88 H SER 88 -11.396 -2.397 -4.466 609 HA SER 88 HA SER 88 -11.109 -2.358 -7.244 610 HB2 SER 88 1HB SER 88 -10.128 -0.071 -5.566 611 HB3 SER 88 2HB SER 88 -11.128 -0.059 -7.006 612 HG SER 88 HG SER 88 -12.840 -0.844 -5.761 613 H GLY 89 H GLY 89 -8.991 -0.568 -7.756 614 HA2 GLY 89 1HA GLY 89 -6.511 -2.035 -7.194 615 HA3 GLY 89 2HA GLY 89 -6.988 -1.690 -8.833 616 H LYS 90 H LYS 90 -7.482 0.358 -5.872 617 HA LYS 90 HA LYS 90 -6.576 2.742 -7.094 618 HB2 LYS 90 1HB LYS 90 -7.336 1.899 -4.313 619 HB3 LYS 90 2HB LYS 90 -6.076 3.101 -4.401 620 HG2 LYS 90 1HG LYS 90 -7.693 4.211 -6.162 621 HG3 LYS 90 2HG LYS 90 -8.900 3.290 -5.259 622 HD2 LYS 90 1HD LYS 90 -8.657 5.666 -4.577 623 HD3 LYS 90 2HD LYS 90 -8.460 4.564 -3.254 624 HE2 LYS 90 1HE LYS 90 -6.055 5.664 -4.758 625 HE3 LYS 90 2HE LYS 90 -6.928 6.636 -3.572 626 HZ1 LYS 90 3HZ LYS 90 -5.498 4.115 -3.010 627 HZ2 LYS 90 1HZ LYS 90 -6.620 4.706 -2.012 628 HZ3 LYS 90 2HZ LYS 90 -5.317 5.576 -2.247 629 H THR 91 H THR 91 -4.654 2.664 -8.033 630 HA THR 91 HA THR 91 -2.318 1.889 -6.387 631 HB THR 91 HB THR 91 -1.269 1.781 -8.745 632 HG1 THR 91 1HG THR 91 -3.955 1.118 -9.430 633 HG21 THR 91 3HG2 THR 91 -3.231 -0.332 -7.721 634 HG22 THR 91 1HG2 THR 91 -1.498 -0.204 -7.374 635 HG23 THR 91 2HG2 THR 91 -2.030 -0.621 -8.998 636 H LEU 92 H LEU 92 -1.372 3.633 -5.664 637 HA LEU 92 HA LEU 92 -1.217 6.181 -7.152 638 HB2 LEU 92 1HB LEU 92 -1.658 5.783 -4.161 639 HB3 LEU 92 2HB LEU 92 -0.791 7.153 -4.751 640 HG LEU 92 HG LEU 92 -2.591 8.249 -5.587 641 HD11 LEU 92 1HD1 LEU 92 -4.258 5.714 -5.734 642 HD12 LEU 92 2HD1 LEU 92 -3.571 6.616 -7.092 643 HD13 LEU 92 3HD1 LEU 92 -4.826 7.376 -6.127 644 HD21 LEU 92 3HD2 LEU 92 -3.780 6.681 -3.302 645 HD22 LEU 92 1HD2 LEU 92 -4.406 8.211 -3.960 646 HD23 LEU 92 2HD2 LEU 92 -2.814 8.160 -3.211 647 H SER 93 H SER 93 0.941 7.174 -6.548 648 HA SER 93 HA SER 93 2.984 5.190 -5.682 649 HB2 SER 93 1HB SER 93 3.006 5.441 -8.128 650 HB3 SER 93 2HB SER 93 3.131 7.212 -7.960 651 HG SER 93 HG SER 93 5.148 5.969 -8.296 652 H LEU 94 H LEU 94 4.645 6.110 -4.424 653 HA LEU 94 HA LEU 94 4.124 8.831 -3.310 654 HB2 LEU 94 1HB LEU 94 3.328 6.673 -2.005 655 HB3 LEU 94 2HB LEU 94 5.037 6.446 -1.702 656 HG LEU 94 HG LEU 94 3.120 8.475 -0.608 657 HD11 LEU 94 1HD1 LEU 94 3.857 6.353 0.534 658 HD12 LEU 94 2HD1 LEU 94 4.134 7.836 1.476 659 HD13 LEU 94 3HD1 LEU 94 5.487 7.048 0.637 660 HD21 LEU 94 3HD2 LEU 94 4.665 10.108 -1.329 661 HD22 LEU 94 1HD2 LEU 94 6.063 9.072 -0.885 662 HD23 LEU 94 2HD2 LEU 94 5.047 9.780 0.370 663 H LYS 95 H LYS 95 5.772 10.018 -4.019 664 HA LYS 95 HA LYS 95 8.478 8.758 -4.095 665 HB2 LYS 95 1HB LYS 95 7.315 9.256 -6.271 666 HB3 LYS 95 2HB LYS 95 7.390 10.960 -5.880 667 HG2 LYS 95 1HG LYS 95 9.878 10.767 -5.669 668 HG3 LYS 95 2HG LYS 95 9.749 9.056 -6.056 669 HD2 LYS 95 1HD LYS 95 8.765 9.667 -8.272 670 HD3 LYS 95 2HD LYS 95 9.111 11.377 -7.909 671 HE2 LYS 95 1HE LYS 95 11.502 10.913 -7.764 672 HE3 LYS 95 2HE LYS 95 11.205 9.167 -7.815 673 HZ1 LYS 95 3HZ LYS 95 10.769 11.031 -10.068 674 HZ2 LYS 95 1HZ LYS 95 10.350 9.436 -10.054 675 HZ3 LYS 95 2HZ LYS 95 11.927 9.892 -9.947 676 H ILE 96 H ILE 96 9.515 9.405 -2.295 677 HA ILE 96 HA ILE 96 9.259 12.194 -1.248 678 HB ILE 96 HB ILE 96 10.399 9.604 -0.103 679 HG12 ILE 96 1HG1 ILE 96 8.172 10.750 1.396 680 HG13 ILE 96 2HG1 ILE 96 7.685 10.481 -0.253 681 HG21 ILE 96 1HG2 ILE 96 10.118 12.290 1.284 682 HG22 ILE 96 2HG2 ILE 96 10.493 10.762 2.090 683 HG23 ILE 96 3HG2 ILE 96 11.618 11.428 0.910 684 HD11 ILE 96 3HD1 ILE 96 8.991 8.396 1.558 685 HD12 ILE 96 1HD1 ILE 96 7.278 8.467 1.115 686 HD13 ILE 96 2HD1 ILE 96 8.490 8.128 -0.131 687 H VAL 97 H VAL 97 10.668 13.239 -2.870 688 HA VAL 97 HA VAL 97 13.262 11.943 -3.424 689 HB VAL 97 HB VAL 97 12.142 14.540 -4.508 690 HG11 VAL 97 1HG1 VAL 97 13.816 14.171 -6.294 691 HG12 VAL 97 2HG1 VAL 97 14.587 14.293 -4.708 692 HG13 VAL 97 3HG1 VAL 97 14.390 12.693 -5.442 693 HG21 VAL 97 3HG2 VAL 97 11.636 13.209 -6.574 694 HG22 VAL 97 1HG2 VAL 97 11.972 11.727 -5.623 695 HG23 VAL 97 2HG2 VAL 97 10.625 12.815 -5.187 696 H GLN 98 H GLN 98 14.353 12.070 -1.511 697 HA GLN 98 HA GLN 98 14.133 14.492 0.092 698 HB2 GLN 98 1HB GLN 98 15.080 13.030 1.881 699 HB3 GLN 98 2HB GLN 98 13.619 12.422 1.131 700 HG2 GLN 98 1HG GLN 98 15.630 11.174 -0.368 701 HG3 GLN 98 2HG GLN 98 16.345 11.269 1.211 702 HE21 GLN 98 1HE2 GLN 98 13.840 10.865 2.789 703 HE22 GLN 98 2HE2 GLN 98 13.400 9.193 2.505 704 HA PRO 99 HA PRO 99 18.546 15.553 -0.354 705 HB2 PRO 99 1HB PRO 99 18.995 16.918 1.967 706 HB3 PRO 99 2HB PRO 99 17.953 17.595 0.692 707 HG2 PRO 99 1HG PRO 99 17.096 16.142 3.181 708 HG3 PRO 99 2HG PRO 99 16.464 17.678 2.512 709 HD2 PRO 99 1HD PRO 99 15.317 15.239 2.110 710 HD3 PRO 99 2HD PRO 99 15.206 16.542 0.905 711 H GLY 100 H GLY 100 20.353 15.431 1.883 712 HA2 GLY 100 1HA GLY 100 19.903 12.907 3.179 713 HA3 GLY 100 2HA GLY 100 21.228 12.926 1.987 714 H LYS 101 H LYS 101 21.820 12.468 4.666 715 HA LYS 101 HA LYS 101 23.445 14.758 5.414 716 HB2 LYS 101 1HB LYS 101 22.454 15.318 7.424 717 HB3 LYS 101 2HB LYS 101 21.089 15.182 6.337 718 HG2 LYS 101 1HG LYS 101 21.909 13.180 8.475 719 HG3 LYS 101 2HG LYS 101 20.575 14.317 8.508 720 HD2 LYS 101 1HD LYS 101 19.641 13.094 6.433 721 HD3 LYS 101 2HD LYS 101 20.876 11.869 6.717 722 HE2 LYS 101 1HE LYS 101 18.679 11.241 7.651 723 HE3 LYS 101 2HE LYS 101 19.949 11.342 8.900 724 HZ1 LYS 101 3HZ LYS 101 17.873 13.370 8.325 725 HZ2 LYS 101 1HZ LYS 101 19.101 13.568 9.406 726 HZ3 LYS 101 2HZ LYS 101 18.015 12.432 9.713 727 H THR 102 H THR 102 24.540 14.137 7.712 728 HA THR 102 HA THR 102 24.465 11.374 8.411 729 HB THR 102 HB THR 102 26.978 11.351 8.573 730 HG1 THR 102 1HG THR 102 27.133 13.558 8.038 731 HG21 THR 102 3HG2 THR 102 26.024 11.254 5.681 732 HG22 THR 102 1HG2 THR 102 25.803 9.951 6.863 733 HG23 THR 102 2HG2 THR 102 27.441 10.428 6.376 734 H SER 103 H SER 103 23.559 12.219 10.367 735 HA SER 103 HA SER 103 25.503 13.658 12.051 736 HB2 SER 103 1HB SER 103 23.307 14.892 12.955 737 HB3 SER 103 2HB SER 103 24.290 15.502 11.628 738 HG SER 103 HG SER 103 21.926 13.937 11.208 739 H ILE 104 H ILE 104 24.668 13.655 14.424 740 HA ILE 104 HA ILE 104 23.645 10.992 15.168 741 HB ILE 104 HB ILE 104 24.182 11.730 17.466 742 HG12 ILE 104 1HG1 ILE 104 25.555 14.156 16.203 743 HG13 ILE 104 2HG1 ILE 104 23.994 14.236 17.023 744 HG21 ILE 104 1HG2 ILE 104 25.752 10.435 16.018 745 HG22 ILE 104 2HG2 ILE 104 26.540 11.951 15.536 746 HG23 ILE 104 3HG2 ILE 104 26.583 11.411 17.230 747 HD11 ILE 104 3HD1 ILE 104 25.063 13.343 19.099 748 HD12 ILE 104 1HD1 ILE 104 26.644 13.436 18.289 749 HD13 ILE 104 2HD1 ILE 104 25.708 14.911 18.575 750 H ASP 105 H ASP 105 21.935 12.502 13.701 751 HA ASP 105 HA ASP 105 19.787 13.579 15.390 752 HB2 ASP 105 1HB ASP 105 18.637 14.004 13.365 753 HB3 ASP 105 2HB ASP 105 20.282 14.566 13.079 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -33.445 6.701 -3.252 2 HA2 GLY 1 1HA GLY 1 -33.684 5.295 -1.320 3 HA3 GLY 1 2HA GLY 1 -34.997 4.415 -2.153 4 H HIS 2 H HIS 2 -34.455 2.688 -3.504 5 HA HIS 2 HA HIS 2 -31.755 2.422 -4.612 6 HB2 HIS 2 1HB HIS 2 -34.447 1.348 -5.561 7 HB3 HIS 2 2HB HIS 2 -32.863 0.898 -6.193 8 HD1 HIS 2 1HD HIS 2 -35.179 -0.926 -4.370 9 HD2 HIS 2 2HD HIS 2 -31.267 0.386 -3.475 10 HE1 HIS 2 1HE HIS 2 -34.331 -2.390 -2.472 11 H MET 3 H MET 3 -31.546 2.901 -7.050 12 HA MET 3 HA MET 3 -33.349 4.759 -8.273 13 HB2 MET 3 1HB MET 3 -32.034 6.323 -6.857 14 HB3 MET 3 2HB MET 3 -30.519 5.642 -7.474 15 HG2 MET 3 1HG MET 3 -30.957 6.493 -9.686 16 HG3 MET 3 2HG MET 3 -32.607 6.962 -9.247 17 HE1 MET 3 3HE MET 3 -30.590 10.276 -10.062 18 HE2 MET 3 1HE MET 3 -30.304 8.667 -10.756 19 HE3 MET 3 2HE MET 3 -31.968 9.254 -10.532 20 H GLY 4 H GLY 4 -32.713 4.885 -10.592 21 HA2 GLY 4 1HA GLY 4 -31.056 2.659 -11.557 22 HA3 GLY 4 2HA GLY 4 -31.941 3.861 -12.522 23 H SER 5 H SER 5 -28.912 3.184 -10.794 24 HA SER 5 HA SER 5 -27.633 5.115 -12.523 25 HB2 SER 5 1HB SER 5 -26.290 6.010 -10.478 26 HB3 SER 5 2HB SER 5 -27.862 6.709 -10.848 27 HG SER 5 HG SER 5 -27.887 6.392 -8.733 28 HA PRO 6 HA PRO 6 -24.514 1.857 -12.102 29 HB2 PRO 6 1HB PRO 6 -22.247 3.174 -12.888 30 HB3 PRO 6 2HB PRO 6 -23.507 2.680 -14.060 31 HG2 PRO 6 1HG PRO 6 -23.157 5.380 -12.727 32 HG3 PRO 6 2HG PRO 6 -23.380 5.040 -14.469 33 HD2 PRO 6 1HD PRO 6 -25.480 5.756 -12.886 34 HD3 PRO 6 2HD PRO 6 -25.689 4.512 -14.148 35 H VAL 7 H VAL 7 -22.796 1.394 -10.598 36 HA VAL 7 HA VAL 7 -22.891 2.958 -8.171 37 HB VAL 7 HB VAL 7 -22.749 0.553 -8.095 38 HG11 VAL 7 1HG1 VAL 7 -21.378 0.031 -10.074 39 HG12 VAL 7 2HG1 VAL 7 -19.956 0.747 -9.289 40 HG13 VAL 7 3HG1 VAL 7 -20.717 -0.702 -8.602 41 HG21 VAL 7 3HG2 VAL 7 -20.957 0.335 -6.464 42 HG22 VAL 7 1HG2 VAL 7 -20.252 1.875 -6.987 43 HG23 VAL 7 2HG2 VAL 7 -21.841 1.838 -6.225 44 H SER 8 H SER 8 -21.543 4.503 -7.524 45 HA SER 8 HA SER 8 -19.389 5.491 -9.304 46 HB2 SER 8 1HB SER 8 -21.120 6.899 -7.767 47 HB3 SER 8 2HB SER 8 -19.944 6.513 -6.520 48 HG SER 8 HG SER 8 -19.449 8.464 -7.488 49 H TYR 9 H TYR 9 -17.311 4.604 -8.923 50 HA TYR 9 HA TYR 9 -16.685 3.776 -6.117 51 HB2 TYR 9 1HB TYR 9 -15.721 2.763 -8.757 52 HB3 TYR 9 2HB TYR 9 -14.568 2.885 -7.458 53 HD1 TYR 9 2HD TYR 9 -18.147 1.746 -7.655 54 HD2 TYR 9 1HD TYR 9 -14.185 1.040 -6.275 55 HE1 TYR 9 2HE TYR 9 -18.907 -0.396 -6.630 56 HE2 TYR 9 1HE TYR 9 -14.831 -1.142 -5.296 57 HH TYR 9 HH TYR 9 -17.018 -2.863 -5.555 58 H TYR 10 H TYR 10 -14.849 4.553 -5.216 59 HA TYR 10 HA TYR 10 -13.525 6.858 -6.503 60 HB2 TYR 10 1HB TYR 10 -14.425 6.550 -3.606 61 HB3 TYR 10 2HB TYR 10 -13.498 7.876 -4.300 62 HD1 TYR 10 2HD TYR 10 -14.512 9.506 -5.847 63 HD2 TYR 10 1HD TYR 10 -16.865 6.371 -4.039 64 HE1 TYR 10 2HE TYR 10 -16.563 10.687 -6.502 65 HE2 TYR 10 1HE TYR 10 -18.959 7.579 -4.686 66 HH TYR 10 HH TYR 10 -18.837 10.777 -6.137 67 H PHE 11 H PHE 11 -11.437 6.578 -6.596 68 HA PHE 11 HA PHE 11 -9.863 4.830 -4.836 69 HB2 PHE 11 1HB PHE 11 -9.109 3.617 -7.031 70 HB3 PHE 11 2HB PHE 11 -10.601 3.147 -6.296 71 HD1 PHE 11 1HD PHE 11 -9.668 5.916 -8.749 72 HD2 PHE 11 2HD PHE 11 -12.236 2.567 -7.822 73 HE1 PHE 11 1HE PHE 11 -10.975 6.353 -10.786 74 HE2 PHE 11 2HE PHE 11 -13.520 2.994 -9.901 75 HZ PHE 11 HZ PHE 11 -12.900 4.901 -11.377 76 H SER 12 H SER 12 -9.973 7.730 -5.486 77 HA SER 12 HA SER 12 -7.169 8.112 -6.102 78 HB2 SER 12 1HB SER 12 -7.436 9.591 -7.963 79 HB3 SER 12 2HB SER 12 -8.119 8.015 -8.359 80 HG SER 12 HG SER 12 -10.195 8.882 -8.034 81 H TYR 13 H TYR 13 -6.752 10.688 -6.069 82 HA TYR 13 HA TYR 13 -7.607 11.467 -3.424 83 HB2 TYR 13 1HB TYR 13 -5.954 12.820 -5.565 84 HB3 TYR 13 2HB TYR 13 -6.186 13.466 -3.945 85 HD1 TYR 13 1HD TYR 13 -4.711 10.557 -5.813 86 HD2 TYR 13 2HD TYR 13 -4.940 12.746 -2.091 87 HE1 TYR 13 1HE TYR 13 -2.803 9.233 -4.908 88 HE2 TYR 13 2HE TYR 13 -3.051 11.462 -1.221 89 HH TYR 13 HH TYR 13 -1.599 9.651 -1.607 90 H ALA 14 H ALA 14 -8.462 13.540 -2.874 91 HA ALA 14 HA ALA 14 -10.660 14.412 -4.557 92 HB1 ALA 14 1HB ALA 14 -9.583 15.638 -1.991 93 HB2 ALA 14 2HB ALA 14 -11.145 15.996 -2.744 94 HB3 ALA 14 3HB ALA 14 -10.843 14.380 -2.073 95 H ASP 15 H ASP 15 -7.622 15.913 -3.453 96 HA ASP 15 HA ASP 15 -7.528 17.672 -5.826 97 HB2 ASP 15 1HB ASP 15 -8.615 19.048 -4.151 98 HB3 ASP 15 2HB ASP 15 -7.391 18.608 -2.953 99 H GLY 16 H GLY 16 -6.347 15.490 -5.790 100 HA2 GLY 16 1HA GLY 16 -3.463 16.077 -5.418 101 HA3 GLY 16 2HA GLY 16 -4.063 14.712 -4.480 102 H GLY 17 H GLY 17 -5.814 14.860 -7.374 103 HA2 GLY 17 1HA GLY 17 -5.700 13.759 -9.395 104 HA3 GLY 17 2HA GLY 17 -3.938 13.745 -9.243 105 H THR 18 H THR 18 -3.088 11.690 -9.189 106 HA THR 18 HA THR 18 -4.662 9.495 -7.943 107 HB THR 18 HB THR 18 -3.737 8.184 -10.114 108 HG1 THR 18 1HG THR 18 -3.131 10.419 -10.975 109 HG21 THR 18 3HG2 THR 18 -6.315 9.776 -10.006 110 HG22 THR 18 1HG2 THR 18 -6.026 8.172 -9.285 111 HG23 THR 18 2HG2 THR 18 -5.996 8.376 -11.048 112 H SER 19 H SER 19 -1.864 11.080 -7.669 113 HA SER 19 HA SER 19 -0.773 8.865 -6.211 114 HB2 SER 19 1HB SER 19 0.177 9.138 -8.860 115 HB3 SER 19 2HB SER 19 1.394 9.935 -7.877 116 HG SER 19 HG SER 19 1.840 8.087 -6.870 117 H HIS 20 H HIS 20 1.185 9.598 -4.979 118 HA HIS 20 HA HIS 20 0.943 12.458 -4.249 119 HB2 HIS 20 1HB HIS 20 1.677 11.588 -1.967 120 HB3 HIS 20 2HB HIS 20 0.017 11.437 -2.454 121 HD1 HIS 20 1HD HIS 20 1.000 9.767 -0.092 122 HD2 HIS 20 2HD HIS 20 0.614 8.365 -4.039 123 HE1 HIS 20 1HE HIS 20 0.544 7.272 0.014 124 H THR 21 H THR 21 2.801 13.586 -3.994 125 HA THR 21 HA THR 21 5.424 12.327 -4.317 126 HB THR 21 HB THR 21 4.451 14.586 -6.129 127 HG1 THR 21 1HG THR 21 3.428 12.964 -6.940 128 HG21 THR 21 3HG2 THR 21 6.810 14.598 -5.676 129 HG22 THR 21 1HG2 THR 21 6.516 14.091 -7.361 130 HG23 THR 21 2HG2 THR 21 6.988 12.918 -6.115 131 H GLU 22 H GLU 22 5.884 12.947 -2.188 132 HA GLU 22 HA GLU 22 5.277 15.743 -1.443 133 HB2 GLU 22 1HB GLU 22 4.809 13.561 0.024 134 HB3 GLU 22 2HB GLU 22 6.532 13.661 0.380 135 HG2 GLU 22 1HG GLU 22 5.448 14.859 2.131 136 HG3 GLU 22 2HG GLU 22 6.083 16.118 1.077 137 H TYR 23 H TYR 23 6.905 17.275 -1.106 138 HA TYR 23 HA TYR 23 9.671 16.365 -1.796 139 HB2 TYR 23 1HB TYR 23 8.248 18.934 -2.531 140 HB3 TYR 23 2HB TYR 23 9.941 18.600 -2.820 141 HD1 TYR 23 2HD TYR 23 10.677 16.797 -4.458 142 HD2 TYR 23 1HD TYR 23 6.540 18.014 -3.991 143 HE1 TYR 23 2HE TYR 23 10.183 15.995 -6.716 144 HE2 TYR 23 1HE TYR 23 6.048 17.227 -6.280 145 HH TYR 23 HH TYR 23 8.645 15.904 -8.394 146 HA PRO 24 HA PRO 24 9.720 18.606 2.322 147 HB2 PRO 24 1HB PRO 24 10.632 16.662 4.018 148 HB3 PRO 24 2HB PRO 24 8.907 16.808 3.560 149 HG2 PRO 24 1HG PRO 24 11.011 14.999 2.416 150 HG3 PRO 24 2HG PRO 24 9.359 14.564 2.920 151 HD2 PRO 24 1HD PRO 24 10.019 15.102 0.288 152 HD3 PRO 24 2HD PRO 24 8.415 15.451 0.975 153 H ASP 25 H ASP 25 11.907 18.283 3.946 154 HA ASP 25 HA ASP 25 14.121 19.006 2.171 155 HB2 ASP 25 1HB ASP 25 14.597 20.885 3.619 156 HB3 ASP 25 2HB ASP 25 12.963 20.994 2.986 157 H ASP 26 H ASP 26 15.834 19.590 4.405 158 HA ASP 26 HA ASP 26 17.076 17.038 4.617 159 HB2 ASP 26 1HB ASP 26 17.607 19.858 5.403 160 HB3 ASP 26 2HB ASP 26 18.294 18.679 6.500 161 H SER 27 H SER 27 14.591 18.524 6.631 162 HA SER 27 HA SER 27 14.700 16.206 8.399 163 HB2 SER 27 1HB SER 27 14.954 18.957 9.650 164 HB3 SER 27 2HB SER 27 14.917 17.391 10.475 165 HG SER 27 HG SER 27 16.812 17.270 8.658 166 H SER 28 H SER 28 12.679 16.154 6.943 167 HA SER 28 HA SER 28 10.461 17.053 8.590 168 HB2 SER 28 1HB SER 28 11.165 19.025 7.002 169 HB3 SER 28 2HB SER 28 10.383 18.072 5.746 170 HG SER 28 HG SER 28 9.257 19.242 8.090 171 H ALA 29 H ALA 29 11.595 14.621 7.490 172 HA ALA 29 HA ALA 29 9.371 13.207 6.190 173 HB1 ALA 29 1HB ALA 29 11.670 12.241 6.266 174 HB2 ALA 29 2HB ALA 29 11.560 12.172 8.043 175 HB3 ALA 29 3HB ALA 29 10.493 11.167 7.053 176 H GLY 30 H GLY 30 7.984 11.485 7.545 177 HA2 GLY 30 1HA GLY 30 7.772 11.349 10.194 178 HA3 GLY 30 2HA GLY 30 6.887 12.856 9.855 179 H SER 31 H SER 31 4.832 12.044 10.350 180 HA SER 31 HA SER 31 3.707 9.948 8.610 181 HB2 SER 31 1HB SER 31 3.117 9.839 11.556 182 HB3 SER 31 2HB SER 31 2.884 8.609 10.310 183 HG SER 31 HG SER 31 5.378 8.814 10.232 184 H PHE 32 H PHE 32 2.408 11.258 7.532 185 HA PHE 32 HA PHE 32 0.345 12.828 9.045 186 HB2 PHE 32 1HB PHE 32 0.299 14.336 7.033 187 HB3 PHE 32 2HB PHE 32 1.757 14.372 8.000 188 HD1 PHE 32 2HD PHE 32 0.362 12.873 4.832 189 HD2 PHE 32 1HD PHE 32 3.875 14.065 7.042 190 HE1 PHE 32 2HE PHE 32 1.775 12.471 2.831 191 HE2 PHE 32 1HE PHE 32 5.265 13.698 5.028 192 HZ PHE 32 HZ PHE 32 4.215 12.897 2.917 193 H ILE 33 H ILE 33 -1.561 13.420 7.287 194 HA ILE 33 HA ILE 33 -2.478 10.842 6.117 195 HB ILE 33 HB ILE 33 -4.289 12.778 7.608 196 HG12 ILE 33 1HG1 ILE 33 -2.989 10.245 8.696 197 HG13 ILE 33 2HG1 ILE 33 -2.784 11.888 9.300 198 HG21 ILE 33 1HG2 ILE 33 -5.927 10.960 7.496 199 HG22 ILE 33 2HG2 ILE 33 -5.334 11.260 5.887 200 HG23 ILE 33 3HG2 ILE 33 -4.715 9.863 6.796 201 HD11 ILE 33 3HD1 ILE 33 -5.211 11.934 9.926 202 HD12 ILE 33 1HD1 ILE 33 -5.304 10.201 9.510 203 HD13 ILE 33 2HD1 ILE 33 -4.246 10.736 10.807 204 H LEU 34 H LEU 34 -3.808 11.102 4.262 205 HA LEU 34 HA LEU 34 -3.581 13.709 2.828 206 HB2 LEU 34 1HB LEU 34 -3.393 10.842 1.833 207 HB3 LEU 34 2HB LEU 34 -3.376 12.258 0.803 208 HG LEU 34 HG LEU 34 -1.253 11.807 2.942 209 HD11 LEU 34 1HD1 LEU 34 -1.127 11.082 -0.005 210 HD12 LEU 34 2HD1 LEU 34 -1.189 9.929 1.358 211 HD13 LEU 34 3HD1 LEU 34 0.206 11.009 1.169 212 HD21 LEU 34 3HD2 LEU 34 -1.464 14.127 2.126 213 HD22 LEU 34 1HD2 LEU 34 -1.368 13.554 0.446 214 HD23 LEU 34 2HD2 LEU 34 0.029 13.402 1.533 215 H ASP 35 H ASP 35 -5.172 13.608 0.869 216 HA ASP 35 HA ASP 35 -7.887 12.905 1.921 217 HB2 ASP 35 1HB ASP 35 -7.221 15.285 1.386 218 HB3 ASP 35 2HB ASP 35 -7.226 14.816 -0.316 219 H ILE 36 H ILE 36 -6.696 10.790 1.188 220 HA ILE 36 HA ILE 36 -7.066 9.961 -1.593 221 HB ILE 36 HB ILE 36 -6.419 8.535 1.037 222 HG12 ILE 36 1HG1 ILE 36 -4.768 8.966 -1.494 223 HG13 ILE 36 2HG1 ILE 36 -4.708 10.037 -0.089 224 HG21 ILE 36 1HG2 ILE 36 -6.695 7.304 -1.731 225 HG22 ILE 36 2HG2 ILE 36 -5.944 6.487 -0.344 226 HG23 ILE 36 3HG2 ILE 36 -7.648 6.901 -0.294 227 HD11 ILE 36 3HD1 ILE 36 -3.781 7.170 -0.218 228 HD12 ILE 36 1HD1 ILE 36 -2.841 8.643 0.110 229 HD13 ILE 36 2HD1 ILE 36 -4.020 8.068 1.305 230 H THR 37 H THR 37 -8.877 8.864 -2.382 231 HA THR 37 HA THR 37 -11.219 8.705 -0.543 232 HB THR 37 HB THR 37 -11.494 8.854 -3.518 233 HG1 THR 37 1HG THR 37 -10.232 10.583 -3.126 234 HG21 THR 37 3HG2 THR 37 -13.622 9.830 -2.993 235 HG22 THR 37 1HG2 THR 37 -13.172 10.037 -1.285 236 HG23 THR 37 2HG2 THR 37 -13.417 8.414 -1.958 237 H SER 38 H SER 38 -12.133 6.685 -0.295 238 HA SER 38 HA SER 38 -11.361 4.462 -2.098 239 HB2 SER 38 1HB SER 38 -9.594 5.047 -0.302 240 HB3 SER 38 2HB SER 38 -10.752 4.470 0.892 241 HG SER 38 HG SER 38 -10.246 2.528 0.389 242 H TYR 39 H TYR 39 -13.847 4.707 -2.465 243 HA TYR 39 HA TYR 39 -15.195 2.832 -0.764 244 HB2 TYR 39 1HB TYR 39 -17.034 4.196 0.028 245 HB3 TYR 39 2HB TYR 39 -15.533 4.820 0.649 246 HD1 TYR 39 2HD TYR 39 -14.663 6.979 -0.052 247 HD2 TYR 39 1HD TYR 39 -18.464 5.555 -1.442 248 HE1 TYR 39 2HE TYR 39 -15.291 9.297 -0.669 249 HE2 TYR 39 1HE TYR 39 -19.092 7.873 -2.102 250 HH TYR 39 HH TYR 39 -16.752 10.541 -2.007 251 H LYS 40 H LYS 40 -17.514 2.491 -1.537 252 HA LYS 40 HA LYS 40 -17.934 3.489 -4.327 253 HB2 LYS 40 1HB LYS 40 -19.179 1.569 -4.871 254 HB3 LYS 40 2HB LYS 40 -17.602 1.117 -4.269 255 HG2 LYS 40 1HG LYS 40 -18.705 -0.431 -3.082 256 HG3 LYS 40 2HG LYS 40 -19.155 0.856 -1.986 257 HD2 LYS 40 1HD LYS 40 -21.331 0.691 -2.612 258 HD3 LYS 40 2HD LYS 40 -20.985 0.614 -4.317 259 HE2 LYS 40 1HE LYS 40 -20.803 -1.679 -2.358 260 HE3 LYS 40 2HE LYS 40 -22.082 -1.404 -3.567 261 HZ1 LYS 40 3HZ LYS 40 -19.297 -1.882 -4.411 262 HZ2 LYS 40 1HZ LYS 40 -20.705 -2.025 -5.276 263 HZ3 LYS 40 2HZ LYS 40 -20.352 -3.089 -4.102 264 H LYS 41 H LYS 41 -19.949 4.343 -4.847 265 HA LYS 41 HA LYS 41 -21.904 4.772 -2.631 266 HB2 LYS 41 1HB LYS 41 -20.518 6.765 -3.426 267 HB3 LYS 41 2HB LYS 41 -21.350 6.643 -4.971 268 HG2 LYS 41 1HG LYS 41 -23.520 7.024 -3.851 269 HG3 LYS 41 2HG LYS 41 -22.687 7.095 -2.284 270 HD2 LYS 41 1HD LYS 41 -21.240 8.972 -3.358 271 HD3 LYS 41 2HD LYS 41 -22.476 9.022 -4.620 272 HE2 LYS 41 1HE LYS 41 -24.251 9.326 -2.843 273 HE3 LYS 41 2HE LYS 41 -22.976 9.382 -1.616 274 HZ1 LYS 41 3HZ LYS 41 -23.392 11.299 -3.817 275 HZ2 LYS 41 1HZ LYS 41 -22.101 11.339 -2.774 276 HZ3 LYS 41 2HZ LYS 41 -23.632 11.599 -2.232 277 H THR 42 H THR 42 -23.932 4.145 -3.079 278 HA THR 42 HA THR 42 -25.162 4.292 -5.603 279 HB THR 42 HB THR 42 -23.935 2.353 -6.228 280 HG1 THR 42 1HG THR 42 -26.051 2.222 -6.844 281 HG21 THR 42 3HG2 THR 42 -24.812 0.995 -3.649 282 HG22 THR 42 1HG2 THR 42 -23.156 1.514 -4.067 283 HG23 THR 42 2HG2 THR 42 -23.927 0.232 -4.991 284 H GLY 43 H GLY 43 -27.450 3.219 -5.242 285 HA2 GLY 43 1HA GLY 43 -29.430 3.521 -4.130 286 HA3 GLY 43 2HA GLY 43 -28.653 2.511 -2.912 287 H ASN 44 H ASN 44 -28.080 3.409 -0.974 288 HA ASN 44 HA ASN 44 -28.537 6.304 -0.485 289 HB2 ASN 44 1HB ASN 44 -30.670 4.962 -0.155 290 HB3 ASN 44 2HB ASN 44 -29.813 4.022 1.066 291 HD21 ASN 44 1HD2 ASN 44 -31.452 4.673 2.592 292 HD22 ASN 44 2HD2 ASN 44 -31.612 6.340 3.086 293 H SER 45 H SER 45 -26.063 4.323 -0.450 294 HA SER 45 HA SER 45 -25.098 5.077 2.238 295 HB2 SER 45 1HB SER 45 -26.272 2.784 2.257 296 HB3 SER 45 2HB SER 45 -24.959 2.208 1.225 297 HG SER 45 HG SER 45 -25.046 2.869 3.920 298 H THR 46 H THR 46 -22.772 4.129 2.416 299 HA THR 46 HA THR 46 -21.388 3.904 -0.107 300 HB THR 46 HB THR 46 -19.477 5.313 0.630 301 HG1 THR 46 1HG THR 46 -20.472 5.404 2.892 302 HG21 THR 46 3HG2 THR 46 -20.437 7.513 0.073 303 HG22 THR 46 1HG2 THR 46 -22.070 6.876 0.312 304 HG23 THR 46 2HG2 THR 46 -21.040 6.233 -0.994 305 H LYS 47 H LYS 47 -20.141 2.118 0.024 306 HA LYS 47 HA LYS 47 -19.462 0.993 2.704 307 HB2 LYS 47 1HB LYS 47 -20.719 -0.391 1.013 308 HB3 LYS 47 2HB LYS 47 -19.313 -0.362 -0.037 309 HG2 LYS 47 1HG LYS 47 -19.206 -1.386 2.827 310 HG3 LYS 47 2HG LYS 47 -19.756 -2.413 1.515 311 HD2 LYS 47 1HD LYS 47 -17.059 -1.078 1.633 312 HD3 LYS 47 2HD LYS 47 -17.342 -2.718 2.171 313 HE2 LYS 47 1HE LYS 47 -17.805 -1.734 -0.691 314 HE3 LYS 47 2HE LYS 47 -16.299 -2.436 -0.113 315 HZ1 LYS 47 3HZ LYS 47 -17.453 -4.450 0.433 316 HZ2 LYS 47 1HZ LYS 47 -17.566 -4.088 -1.158 317 HZ3 LYS 47 2HZ LYS 47 -18.877 -3.865 -0.152 318 H ALA 48 H ALA 48 -17.393 1.477 3.412 319 HA ALA 48 HA ALA 48 -15.549 2.850 1.627 320 HB1 ALA 48 1HB ALA 48 -15.950 3.458 4.054 321 HB2 ALA 48 2HB ALA 48 -15.120 1.946 4.489 322 HB3 ALA 48 3HB ALA 48 -14.247 3.217 3.614 323 H LEU 49 H LEU 49 -13.354 2.189 1.291 324 HA LEU 49 HA LEU 49 -12.860 -0.772 1.426 325 HB2 LEU 49 1HB LEU 49 -11.935 1.260 -0.643 326 HB3 LEU 49 2HB LEU 49 -11.444 -0.435 -0.580 327 HG LEU 49 HG LEU 49 -14.280 0.570 -1.037 328 HD11 LEU 49 1HD1 LEU 49 -13.856 -0.379 -3.347 329 HD12 LEU 49 2HD1 LEU 49 -12.147 -0.512 -2.920 330 HD13 LEU 49 3HD1 LEU 49 -12.981 1.078 -2.939 331 HD21 LEU 49 3HD2 LEU 49 -13.134 -2.249 -1.008 332 HD22 LEU 49 1HD2 LEU 49 -14.737 -1.855 -1.581 333 HD23 LEU 49 2HD2 LEU 49 -14.348 -1.557 0.099 334 H SER 50 H SER 50 -11.076 -1.498 2.370 335 HA SER 50 HA SER 50 -9.064 0.262 3.496 336 HB2 SER 50 1HB SER 50 -8.002 -1.878 4.122 337 HB3 SER 50 2HB SER 50 -9.712 -1.863 4.577 338 HG SER 50 HG SER 50 -9.717 -3.711 3.527 339 H TRP 51 H TRP 51 -6.701 -0.263 2.869 340 HA TRP 51 HA TRP 51 -6.274 -1.299 0.235 341 HB2 TRP 51 1HB TRP 51 -5.008 0.594 -0.635 342 HB3 TRP 51 2HB TRP 51 -6.657 1.053 -0.307 343 HD1 TRP 51 HD TRP 51 -3.129 1.726 0.524 344 HE1 TRP 51 1HE TRP 51 -2.879 4.028 1.638 345 HE3 TRP 51 3HE TRP 51 -8.042 2.556 1.567 346 HZ2 TRP 51 2HZ TRP 51 -4.674 5.986 2.864 347 HZ3 TRP 51 3HZ TRP 51 -8.770 4.685 2.631 348 HH2 TRP 51 HH TRP 51 -7.096 6.391 3.279 349 H ASN 52 H ASN 52 -3.879 -1.522 -0.114 350 HA ASN 52 HA ASN 52 -2.365 -1.988 2.417 351 HB2 ASN 52 1HB ASN 52 -3.263 -3.991 0.337 352 HB3 ASN 52 2HB ASN 52 -1.619 -4.131 0.939 353 HD21 ASN 52 1HD2 ASN 52 -5.094 -4.098 2.071 354 HD22 ASN 52 2HD2 ASN 52 -4.652 -4.823 3.605 355 H ALA 53 H ALA 53 -0.001 -2.232 1.945 356 HA ALA 53 HA ALA 53 0.920 -0.616 -0.425 357 HB1 ALA 53 1HB ALA 53 1.919 1.017 1.013 358 HB2 ALA 53 2HB ALA 53 0.198 0.904 1.450 359 HB3 ALA 53 3HB ALA 53 1.419 0.130 2.470 360 H SER 54 H SER 54 3.125 -1.161 -0.946 361 HA SER 54 HA SER 54 4.977 -1.502 1.109 362 HB2 SER 54 1HB SER 54 3.781 -3.984 0.724 363 HB3 SER 54 2HB SER 54 5.158 -4.070 -0.374 364 HG SER 54 HG SER 54 6.050 -4.627 1.479 365 H GLY 55 H GLY 55 7.162 -1.629 0.393 366 HA2 GLY 55 1HA GLY 55 8.116 -2.198 -2.181 367 HA3 GLY 55 2HA GLY 55 7.823 -0.460 -2.127 368 H ASP 56 H ASP 56 9.288 0.867 -1.013 369 HA ASP 56 HA ASP 56 11.859 0.066 -0.170 370 HB2 ASP 56 1HB ASP 56 10.078 2.420 0.527 371 HB3 ASP 56 2HB ASP 56 11.695 2.275 1.163 372 H SER 57 H SER 57 12.739 -0.030 2.080 373 HA SER 57 HA SER 57 11.010 -1.370 4.017 374 HB2 SER 57 1HB SER 57 13.854 -0.319 4.214 375 HB3 SER 57 2HB SER 57 13.074 -1.388 5.377 376 HG SER 57 HG SER 57 12.872 -2.943 3.689 377 H TRP 58 H TRP 58 12.197 1.932 3.494 378 HA TRP 58 HA TRP 58 11.849 2.641 6.316 379 HB2 TRP 58 1HB TRP 58 12.929 4.755 5.581 380 HB3 TRP 58 2HB TRP 58 13.868 3.316 5.255 381 HD1 TRP 58 HD TRP 58 14.163 2.565 2.687 382 HE1 TRP 58 1HE TRP 58 13.810 3.781 0.468 383 HE3 TRP 58 3HE TRP 58 11.669 6.744 4.350 384 HZ2 TRP 58 2HZ TRP 58 13.127 6.450 -0.400 385 HZ3 TRP 58 3HZ TRP 58 11.176 8.602 2.767 386 HH2 TRP 58 HH TRP 58 11.949 8.493 0.422 387 H ILE 59 H ILE 59 9.456 2.068 4.454 388 HA ILE 59 HA ILE 59 7.976 4.599 4.799 389 HB ILE 59 HB ILE 59 8.076 2.992 2.206 390 HG12 ILE 59 1HG1 ILE 59 9.383 5.656 2.899 391 HG13 ILE 59 2HG1 ILE 59 10.186 4.155 2.431 392 HG21 ILE 59 1HG2 ILE 59 6.636 4.767 1.306 393 HG22 ILE 59 2HG2 ILE 59 5.882 4.073 2.722 394 HG23 ILE 59 3HG2 ILE 59 6.694 5.640 2.856 395 HD11 ILE 59 3HD1 ILE 59 9.002 4.325 0.195 396 HD12 ILE 59 1HD1 ILE 59 8.572 5.983 0.686 397 HD13 ILE 59 2HD1 ILE 59 10.269 5.519 0.531 398 H HIS 60 H HIS 60 5.995 4.153 5.614 399 HA HIS 60 HA HIS 60 4.990 1.366 5.550 400 HB2 HIS 60 1HB HIS 60 5.142 3.016 8.081 401 HB3 HIS 60 2HB HIS 60 4.642 1.337 7.912 402 HD1 HIS 60 1HD HIS 60 6.801 -0.333 7.051 403 HD2 HIS 60 2HD HIS 60 7.603 3.504 8.565 404 HE1 HIS 60 1HE HIS 60 9.249 -0.362 7.824 405 H VAL 61 H VAL 61 2.610 1.320 5.838 406 HA VAL 61 HA VAL 61 1.285 3.981 5.804 407 HB VAL 61 HB VAL 61 0.656 1.766 3.825 408 HG11 VAL 61 1HG1 VAL 61 -0.283 4.655 4.065 409 HG12 VAL 61 2HG1 VAL 61 -0.657 3.565 2.705 410 HG13 VAL 61 3HG1 VAL 61 -1.242 3.191 4.315 411 HG21 VAL 61 3HG2 VAL 61 2.823 2.596 3.134 412 HG22 VAL 61 1HG2 VAL 61 1.625 3.321 2.073 413 HG23 VAL 61 2HG2 VAL 61 2.338 4.277 3.401 414 H ASN 62 H ASN 62 -0.419 3.960 7.147 415 HA ASN 62 HA ASN 62 -1.244 1.425 8.431 416 HB2 ASN 62 1HB ASN 62 -0.688 3.823 9.589 417 HB3 ASN 62 2HB ASN 62 -2.389 4.086 9.228 418 HD21 ASN 62 1HD2 ASN 62 -0.036 2.199 11.003 419 HD22 ASN 62 2HD2 ASN 62 -1.152 1.207 11.930 420 H GLY 63 H GLY 63 -3.890 1.700 8.919 421 HA2 GLY 63 1HA GLY 63 -5.067 1.203 6.376 422 HA3 GLY 63 2HA GLY 63 -5.930 1.343 7.907 423 H SER 64 H SER 64 -4.494 4.247 7.843 424 HA SER 64 HA SER 64 -5.871 5.444 5.555 425 HB2 SER 64 1HB SER 64 -6.805 7.309 7.010 426 HB3 SER 64 2HB SER 64 -7.635 5.748 7.101 427 HG SER 64 HG SER 64 -7.074 6.920 9.151 428 H SER 65 H SER 65 -3.307 5.563 7.983 429 HA SER 65 HA SER 65 -2.502 8.257 7.117 430 HB2 SER 65 1HB SER 65 -1.362 6.574 9.367 431 HB3 SER 65 2HB SER 65 -1.244 8.332 9.131 432 HG SER 65 HG SER 65 -2.852 8.000 10.593 433 H VAL 66 H VAL 66 -0.240 8.781 6.774 434 HA VAL 66 HA VAL 66 1.250 6.751 5.229 435 HB VAL 66 HB VAL 66 1.748 9.756 5.470 436 HG11 VAL 66 1HG1 VAL 66 3.591 8.515 4.434 437 HG12 VAL 66 2HG1 VAL 66 2.466 7.692 3.333 438 HG13 VAL 66 3HG1 VAL 66 2.765 9.442 3.193 439 HG21 VAL 66 3HG2 VAL 66 -0.057 8.436 3.428 440 HG22 VAL 66 1HG2 VAL 66 -0.533 9.618 4.676 441 HG23 VAL 66 2HG2 VAL 66 0.542 10.115 3.381 442 H SER 67 H SER 67 3.606 6.591 5.733 443 HA SER 67 HA SER 67 4.709 8.282 7.746 444 HB2 SER 67 1HB SER 67 5.683 6.024 8.848 445 HB3 SER 67 2HB SER 67 4.258 6.864 9.467 446 HG SER 67 HG SER 67 3.804 5.011 7.453 447 H TYR 68 H TYR 68 6.942 8.538 7.337 448 HA TYR 68 HA TYR 68 8.345 6.285 6.264 449 HB2 TYR 68 1HB TYR 68 9.541 7.641 4.517 450 HB3 TYR 68 2HB TYR 68 7.930 7.100 4.130 451 HD1 TYR 68 1HD TYR 68 9.988 10.067 4.940 452 HD2 TYR 68 2HD TYR 68 6.133 8.615 3.690 453 HE1 TYR 68 1HE TYR 68 9.402 12.334 4.167 454 HE2 TYR 68 2HE TYR 68 5.520 10.875 2.882 455 HH TYR 68 HH TYR 68 7.720 13.688 3.323 456 H ASP 69 H ASP 69 10.466 6.375 6.674 457 HA ASP 69 HA ASP 69 11.330 8.066 8.931 458 HB2 ASP 69 1HB ASP 69 12.131 5.478 7.602 459 HB3 ASP 69 2HB ASP 69 13.470 6.425 8.211 460 H GLU 70 H GLU 70 13.942 8.551 8.543 461 HA GLU 70 HA GLU 70 14.071 10.167 6.051 462 HB2 GLU 70 1HB GLU 70 13.624 11.262 8.393 463 HB3 GLU 70 2HB GLU 70 15.356 11.044 8.628 464 HG2 GLU 70 1HG GLU 70 15.886 12.500 6.824 465 HG3 GLU 70 2HG GLU 70 14.313 12.253 6.064 466 H ASN 71 H ASN 71 16.352 10.818 5.561 467 HA ASN 71 HA ASN 71 17.822 8.320 5.323 468 HB2 ASN 71 1HB ASN 71 19.273 9.699 3.744 469 HB3 ASN 71 2HB ASN 71 17.640 9.290 3.255 470 HD21 ASN 71 1HD2 ASN 71 19.535 11.509 2.356 471 HD22 ASN 71 2HD2 ASN 71 18.409 12.876 2.427 472 HA PRO 72 HA PRO 72 20.851 9.449 8.352 473 HB2 PRO 72 1HB PRO 72 22.747 7.576 7.899 474 HB3 PRO 72 2HB PRO 72 21.087 7.096 8.387 475 HG2 PRO 72 1HG PRO 72 22.221 7.273 5.561 476 HG3 PRO 72 2HG PRO 72 21.414 5.870 6.330 477 HD2 PRO 72 1HD PRO 72 20.071 7.654 4.791 478 HD3 PRO 72 2HD PRO 72 19.310 6.930 6.243 479 H ALA 73 H ALA 73 21.324 10.151 5.064 480 HA ALA 73 HA ALA 73 24.041 11.252 5.489 481 HB1 ALA 73 1HB ALA 73 23.234 9.227 3.349 482 HB2 ALA 73 2HB ALA 73 24.807 10.044 3.463 483 HB3 ALA 73 3HB ALA 73 24.323 8.909 4.732 484 H LYS 74 H LYS 74 24.811 12.336 3.447 485 HA LYS 74 HA LYS 74 22.762 14.082 2.445 486 HB2 LYS 74 1HB LYS 74 24.493 15.388 1.468 487 HB3 LYS 74 2HB LYS 74 24.862 14.989 3.128 488 HG2 LYS 74 1HG LYS 74 26.879 14.402 2.432 489 HG3 LYS 74 2HG LYS 74 26.116 12.923 1.825 490 HD2 LYS 74 1HD LYS 74 25.688 14.263 -0.367 491 HD3 LYS 74 2HD LYS 74 26.831 15.455 0.295 492 HE2 LYS 74 1HE LYS 74 28.499 13.561 0.580 493 HE3 LYS 74 2HE LYS 74 27.329 12.477 -0.173 494 HZ1 LYS 74 3HZ LYS 74 27.417 13.920 -2.150 495 HZ2 LYS 74 1HZ LYS 74 28.847 13.179 -1.808 496 HZ3 LYS 74 2HZ LYS 74 28.621 14.787 -1.468 497 H GLU 75 H GLU 75 23.388 10.999 1.674 498 HA GLU 75 HA GLU 75 23.230 11.291 -1.211 499 HB2 GLU 75 1HB GLU 75 22.674 8.873 0.511 500 HB3 GLU 75 2HB GLU 75 22.638 8.885 -1.249 501 HG2 GLU 75 1HG GLU 75 25.005 9.459 -1.382 502 HG3 GLU 75 2HG GLU 75 25.116 9.576 0.378 503 H ARG 76 H ARG 76 21.339 11.249 -2.293 504 HA ARG 76 HA ARG 76 18.932 12.228 -0.907 505 HB2 ARG 76 1HB ARG 76 19.903 12.932 -3.280 506 HB3 ARG 76 2HB ARG 76 19.100 11.450 -3.834 507 HG2 ARG 76 1HG ARG 76 16.953 12.424 -2.781 508 HG3 ARG 76 2HG ARG 76 17.846 13.930 -2.606 509 HD2 ARG 76 1HD ARG 76 17.835 12.662 -5.329 510 HD3 ARG 76 2HD ARG 76 16.280 13.199 -4.707 511 HE ARG 76 HE ARG 76 16.912 15.397 -4.627 512 HH11 ARG 76 1HH1 ARG 76 19.687 13.465 -5.892 513 HH12 ARG 76 2HH1 ARG 76 20.187 14.760 -6.954 514 HH21 ARG 76 1HH2 ARG 76 17.788 17.085 -5.991 515 HH22 ARG 76 2HH2 ARG 76 19.248 16.769 -6.901 516 H ARG 77 H ARG 77 16.743 11.158 -1.457 517 HA ARG 77 HA ARG 77 16.954 8.335 -2.251 518 HB2 ARG 77 1HB ARG 77 15.446 9.432 0.163 519 HB3 ARG 77 2HB ARG 77 15.000 7.906 -0.591 520 HG2 ARG 77 1HG ARG 77 17.820 8.442 0.445 521 HG3 ARG 77 2HG ARG 77 16.548 7.745 1.428 522 HD2 ARG 77 1HD ARG 77 16.265 5.880 -0.143 523 HD3 ARG 77 2HD ARG 77 17.471 6.562 -1.238 524 HE ARG 77 HE ARG 77 17.885 5.052 1.190 525 HH11 ARG 77 1HH1 ARG 77 19.506 7.479 -0.949 526 HH12 ARG 77 2HH1 ARG 77 21.054 6.715 -0.739 527 HH21 ARG 77 1HH2 ARG 77 19.972 4.375 1.655 528 HH22 ARG 77 2HH2 ARG 77 21.348 5.310 1.112 529 H THR 78 H THR 78 14.910 7.529 -3.095 530 HA THR 78 HA THR 78 13.014 9.573 -3.988 531 HB THR 78 HB THR 78 14.306 7.556 -5.871 532 HG1 THR 78 1HG THR 78 15.688 9.292 -5.470 533 HG21 THR 78 3HG2 THR 78 11.945 8.002 -6.428 534 HG22 THR 78 1HG2 THR 78 12.997 8.785 -7.618 535 HG23 THR 78 2HG2 THR 78 12.235 9.743 -6.333 536 H GLY 79 H GLY 79 11.649 8.595 -2.346 537 HA2 GLY 79 1HA GLY 79 11.369 5.740 -1.952 538 HA3 GLY 79 2HA GLY 79 10.255 6.993 -1.383 539 H LEU 80 H LEU 80 9.844 4.272 -2.855 540 HA LEU 80 HA LEU 80 7.622 5.288 -4.418 541 HB2 LEU 80 1HB LEU 80 9.699 5.335 -6.036 542 HB3 LEU 80 2HB LEU 80 9.580 3.576 -5.934 543 HG LEU 80 HG LEU 80 7.082 3.882 -6.630 544 HD11 LEU 80 1HD1 LEU 80 6.911 6.305 -6.215 545 HD12 LEU 80 2HD1 LEU 80 6.620 5.957 -7.928 546 HD13 LEU 80 3HD1 LEU 80 8.186 6.613 -7.413 547 HD21 LEU 80 3HD2 LEU 80 9.295 4.631 -8.597 548 HD22 LEU 80 1HD2 LEU 80 7.653 4.091 -9.037 549 HD23 LEU 80 2HD2 LEU 80 8.737 2.991 -8.197 550 H VAL 81 H VAL 81 6.875 3.950 -2.475 551 HA VAL 81 HA VAL 81 6.831 1.113 -2.991 552 HB VAL 81 HB VAL 81 5.158 0.954 -1.210 553 HG11 VAL 81 1HG1 VAL 81 7.235 2.977 -0.360 554 HG12 VAL 81 2HG1 VAL 81 6.279 1.931 0.698 555 HG13 VAL 81 3HG1 VAL 81 7.431 1.225 -0.426 556 HG21 VAL 81 3HG2 VAL 81 4.204 2.893 -0.033 557 HG22 VAL 81 1HG2 VAL 81 4.877 3.962 -1.279 558 HG23 VAL 81 2HG2 VAL 81 3.638 2.754 -1.694 559 H THR 82 H THR 82 4.489 0.051 -3.183 560 HA THR 82 HA THR 82 2.783 1.623 -5.035 561 HB THR 82 HB THR 82 3.359 -1.357 -5.028 562 HG1 THR 82 1HG THR 82 3.635 0.408 -7.212 563 HG21 THR 82 3HG2 THR 82 1.907 -1.442 -7.081 564 HG22 THR 82 1HG2 THR 82 1.351 0.206 -6.682 565 HG23 THR 82 2HG2 THR 82 1.025 -1.140 -5.585 566 H LEU 83 H LEU 83 0.501 1.307 -4.604 567 HA LEU 83 HA LEU 83 -0.211 -0.269 -2.220 568 HB2 LEU 83 1HB LEU 83 -1.606 2.339 -2.922 569 HB3 LEU 83 2HB LEU 83 -1.924 1.296 -1.557 570 HG LEU 83 HG LEU 83 0.652 1.914 -0.983 571 HD11 LEU 83 1HD1 LEU 83 -0.458 4.399 -2.268 572 HD12 LEU 83 2HD1 LEU 83 0.812 3.380 -3.018 573 HD13 LEU 83 3HD1 LEU 83 1.125 4.209 -1.478 574 HD21 LEU 83 3HD2 LEU 83 -1.148 2.339 0.591 575 HD22 LEU 83 1HD2 LEU 83 -1.762 3.674 -0.421 576 HD23 LEU 83 2HD2 LEU 83 -0.199 3.813 0.411 577 H LYS 84 H LYS 84 -2.641 -0.879 -2.322 578 HA LYS 84 HA LYS 84 -4.049 -0.595 -4.828 579 HB2 LYS 84 1HB LYS 84 -2.323 -2.616 -5.032 580 HB3 LYS 84 2HB LYS 84 -3.497 -3.487 -4.034 581 HG2 LYS 84 1HG LYS 84 -5.215 -3.154 -5.723 582 HG3 LYS 84 2HG LYS 84 -4.168 -2.011 -6.608 583 HD2 LYS 84 1HD LYS 84 -2.550 -4.006 -6.898 584 HD3 LYS 84 2HD LYS 84 -3.914 -5.022 -6.383 585 HE2 LYS 84 1HE LYS 84 -5.288 -3.945 -8.226 586 HE3 LYS 84 2HE LYS 84 -3.832 -3.071 -8.744 587 HZ1 LYS 84 3HZ LYS 84 -4.381 -5.945 -8.801 588 HZ2 LYS 84 1HZ LYS 84 -2.839 -5.409 -8.916 589 HZ3 LYS 84 2HZ LYS 84 -3.952 -4.985 -10.075 590 H GLN 85 H GLN 85 -6.265 -1.803 -4.534 591 HA GLN 85 HA GLN 85 -7.122 -0.978 -1.822 592 HB2 GLN 85 1HB GLN 85 -7.734 0.065 -4.315 593 HB3 GLN 85 2HB GLN 85 -9.075 -1.035 -4.078 594 HG2 GLN 85 1HG GLN 85 -9.921 0.159 -2.241 595 HG3 GLN 85 2HG GLN 85 -8.379 0.918 -1.885 596 HE21 GLN 85 1HE2 GLN 85 -11.380 1.409 -3.510 597 HE22 GLN 85 2HE2 GLN 85 -10.956 2.935 -4.232 598 H ASP 86 H ASP 86 -9.202 -2.053 -1.066 599 HA ASP 86 HA ASP 86 -9.080 -4.897 -1.261 600 HB2 ASP 86 1HB ASP 86 -10.120 -3.803 0.641 601 HB3 ASP 86 2HB ASP 86 -11.416 -3.189 -0.397 602 H GLU 87 H GLU 87 -11.451 -2.690 -2.832 603 HA GLU 87 HA GLU 87 -12.250 -4.979 -4.611 604 HB2 GLU 87 1HB GLU 87 -13.885 -2.629 -3.624 605 HB3 GLU 87 2HB GLU 87 -14.388 -3.750 -4.869 606 HG2 GLU 87 1HG GLU 87 -13.768 -5.553 -2.946 607 HG3 GLU 87 2HG GLU 87 -14.176 -4.170 -1.915 608 H SER 88 H SER 88 -10.991 -1.838 -4.636 609 HA SER 88 HA SER 88 -11.077 -1.755 -7.604 610 HB2 SER 88 1HB SER 88 -9.987 0.439 -5.807 611 HB3 SER 88 2HB SER 88 -10.534 0.550 -7.500 612 HG SER 88 HG SER 88 -12.579 0.126 -6.860 613 H GLY 89 H GLY 89 -8.645 -0.448 -7.987 614 HA2 GLY 89 1HA GLY 89 -6.517 -1.751 -6.625 615 HA3 GLY 89 2HA GLY 89 -6.891 -2.591 -8.144 616 H LYS 90 H LYS 90 -7.217 0.907 -7.530 617 HA LYS 90 HA LYS 90 -5.521 1.659 -9.759 618 HB2 LYS 90 1HB LYS 90 -7.100 3.028 -7.610 619 HB3 LYS 90 2HB LYS 90 -5.605 3.822 -7.974 620 HG2 LYS 90 1HG LYS 90 -6.852 3.217 -10.525 621 HG3 LYS 90 2HG LYS 90 -8.064 3.884 -9.441 622 HD2 LYS 90 1HD LYS 90 -7.200 5.775 -10.452 623 HD3 LYS 90 2HD LYS 90 -6.361 5.763 -8.912 624 HE2 LYS 90 1HE LYS 90 -5.285 4.898 -11.638 625 HE3 LYS 90 2HE LYS 90 -4.862 6.362 -10.763 626 HZ1 LYS 90 3HZ LYS 90 -4.051 3.606 -10.227 627 HZ2 LYS 90 1HZ LYS 90 -3.910 4.763 -9.026 628 HZ3 LYS 90 2HZ LYS 90 -3.116 4.879 -10.463 629 H THR 91 H THR 91 -3.312 1.181 -9.630 630 HA THR 91 HA THR 91 -2.188 0.912 -6.987 631 HB THR 91 HB THR 91 -0.072 0.493 -8.368 632 HG1 THR 91 1HG THR 91 -0.458 1.087 -10.359 633 HG21 THR 91 3HG2 THR 91 -2.546 -1.283 -8.654 634 HG22 THR 91 1HG2 THR 91 -1.376 -1.311 -7.318 635 HG23 THR 91 2HG2 THR 91 -0.882 -1.808 -8.938 636 H LEU 92 H LEU 92 -1.553 2.545 -5.822 637 HA LEU 92 HA LEU 92 -0.909 5.203 -7.034 638 HB2 LEU 92 1HB LEU 92 -1.758 4.207 -4.332 639 HB3 LEU 92 2HB LEU 92 -0.562 5.476 -4.329 640 HG LEU 92 HG LEU 92 -1.926 7.003 -5.514 641 HD11 LEU 92 1HD1 LEU 92 -3.265 5.571 -6.973 642 HD12 LEU 92 2HD1 LEU 92 -4.320 6.595 -5.987 643 HD13 LEU 92 3HD1 LEU 92 -4.107 4.876 -5.576 644 HD21 LEU 92 3HD2 LEU 92 -3.355 5.670 -3.169 645 HD22 LEU 92 1HD2 LEU 92 -3.570 7.345 -3.713 646 HD23 LEU 92 2HD2 LEU 92 -2.014 6.805 -3.056 647 H SER 93 H SER 93 1.042 6.271 -6.201 648 HA SER 93 HA SER 93 3.211 4.548 -5.189 649 HB2 SER 93 1HB SER 93 3.794 6.682 -7.218 650 HB3 SER 93 2HB SER 93 4.703 5.209 -6.841 651 HG SER 93 HG SER 93 3.672 4.221 -8.379 652 H LEU 94 H LEU 94 4.080 5.558 -3.405 653 HA LEU 94 HA LEU 94 3.405 8.381 -2.787 654 HB2 LEU 94 1HB LEU 94 3.028 6.435 -1.162 655 HB3 LEU 94 2HB LEU 94 4.741 6.238 -1.103 656 HG LEU 94 HG LEU 94 2.990 8.175 0.264 657 HD11 LEU 94 1HD1 LEU 94 4.696 7.956 2.011 658 HD12 LEU 94 2HD1 LEU 94 5.681 6.979 0.906 659 HD13 LEU 94 3HD1 LEU 94 4.091 6.397 1.433 660 HD21 LEU 94 3HD2 LEU 94 4.659 9.922 0.661 661 HD22 LEU 94 1HD2 LEU 94 4.090 9.901 -1.022 662 HD23 LEU 94 2HD2 LEU 94 5.682 9.230 -0.599 663 H LYS 95 H LYS 95 4.893 9.472 -4.247 664 HA LYS 95 HA LYS 95 7.717 8.699 -4.218 665 HB2 LYS 95 1HB LYS 95 6.098 10.801 -5.640 666 HB3 LYS 95 2HB LYS 95 7.849 11.019 -5.434 667 HG2 LYS 95 1HG LYS 95 8.315 8.949 -6.571 668 HG3 LYS 95 2HG LYS 95 6.579 8.576 -6.705 669 HD2 LYS 95 1HD LYS 95 6.239 9.983 -8.441 670 HD3 LYS 95 2HD LYS 95 7.307 11.229 -7.829 671 HE2 LYS 95 1HE LYS 95 8.423 8.633 -8.952 672 HE3 LYS 95 2HE LYS 95 7.909 9.949 -10.017 673 HZ1 LYS 95 3HZ LYS 95 10.231 10.135 -9.550 674 HZ2 LYS 95 1HZ LYS 95 9.963 10.265 -7.924 675 HZ3 LYS 95 2HZ LYS 95 9.419 11.420 -8.966 676 H ILE 96 H ILE 96 9.170 9.532 -3.041 677 HA ILE 96 HA ILE 96 8.779 12.157 -1.723 678 HB ILE 96 HB ILE 96 10.324 9.930 -0.352 679 HG12 ILE 96 1HG1 ILE 96 8.350 10.520 1.430 680 HG13 ILE 96 2HG1 ILE 96 7.431 10.641 -0.055 681 HG21 ILE 96 1HG2 ILE 96 11.073 12.271 0.070 682 HG22 ILE 96 2HG2 ILE 96 9.439 12.678 0.632 683 HG23 ILE 96 3HG2 ILE 96 10.429 11.497 1.518 684 HD11 ILE 96 3HD1 ILE 96 9.157 8.290 0.872 685 HD12 ILE 96 1HD1 ILE 96 7.397 8.377 0.971 686 HD13 ILE 96 2HD1 ILE 96 8.189 8.305 -0.622 687 H VAL 97 H VAL 97 10.167 13.399 -2.877 688 HA VAL 97 HA VAL 97 12.856 12.327 -3.658 689 HB VAL 97 HB VAL 97 11.143 14.537 -4.876 690 HG11 VAL 97 1HG1 VAL 97 12.791 14.459 -6.768 691 HG12 VAL 97 2HG1 VAL 97 13.417 15.109 -5.273 692 HG13 VAL 97 3HG1 VAL 97 13.851 13.446 -5.719 693 HG21 VAL 97 3HG2 VAL 97 10.778 13.164 -6.781 694 HG22 VAL 97 1HG2 VAL 97 11.832 11.868 -6.122 695 HG23 VAL 97 2HG2 VAL 97 10.264 12.237 -5.376 696 H GLN 98 H GLN 98 13.488 12.826 -1.298 697 HA GLN 98 HA GLN 98 13.439 15.746 -0.741 698 HB2 GLN 98 1HB GLN 98 13.376 15.200 1.559 699 HB3 GLN 98 2HB GLN 98 12.106 14.349 0.698 700 HG2 GLN 98 1HG GLN 98 13.206 12.231 0.956 701 HG3 GLN 98 2HG GLN 98 14.709 13.003 1.477 702 HE21 GLN 98 1HE2 GLN 98 14.927 13.692 3.515 703 HE22 GLN 98 2HE2 GLN 98 13.719 13.699 4.793 704 HA PRO 99 HA PRO 99 17.693 16.031 -1.145 705 HB2 PRO 99 1HB PRO 99 18.465 17.856 0.811 706 HB3 PRO 99 2HB PRO 99 17.561 18.262 -0.681 707 HG2 PRO 99 1HG PRO 99 16.476 17.744 2.097 708 HG3 PRO 99 2HG PRO 99 16.085 19.081 0.969 709 HD2 PRO 99 1HD PRO 99 14.547 16.885 1.241 710 HD3 PRO 99 2HD PRO 99 14.761 17.643 -0.363 711 H GLY 100 H GLY 100 19.850 16.196 0.092 712 HA2 GLY 100 1HA GLY 100 20.243 13.635 1.495 713 HA3 GLY 100 2HA GLY 100 21.431 14.774 0.823 714 H LYS 101 H LYS 101 20.006 13.752 3.723 715 HA LYS 101 HA LYS 101 19.908 16.193 5.214 716 HB2 LYS 101 1HB LYS 101 18.744 14.182 5.924 717 HB3 LYS 101 2HB LYS 101 20.282 13.310 6.113 718 HG2 LYS 101 1HG LYS 101 20.964 15.006 7.865 719 HG3 LYS 101 2HG LYS 101 19.379 15.757 7.711 720 HD2 LYS 101 1HD LYS 101 19.982 12.909 8.609 721 HD3 LYS 101 2HD LYS 101 19.567 14.265 9.656 722 HE2 LYS 101 1HE LYS 101 17.479 14.222 7.783 723 HE3 LYS 101 2HE LYS 101 17.811 12.503 8.091 724 HZ1 LYS 101 3HZ LYS 101 17.375 14.483 10.246 725 HZ2 LYS 101 1HZ LYS 101 17.328 12.847 10.394 726 HZ3 LYS 101 2HZ LYS 101 16.149 13.656 9.560 727 H THR 102 H THR 102 21.554 17.430 5.841 728 HA THR 102 HA THR 102 23.799 16.206 7.161 729 HB THR 102 HB THR 102 25.250 18.088 5.700 730 HG1 THR 102 1HG THR 102 23.508 17.895 4.042 731 HG21 THR 102 3HG2 THR 102 26.082 15.952 6.557 732 HG22 THR 102 1HG2 THR 102 26.489 16.157 4.849 733 HG23 THR 102 2HG2 THR 102 25.169 15.075 5.317 734 H SER 103 H SER 103 22.876 17.138 8.988 735 HA SER 103 HA SER 103 23.559 19.958 9.330 736 HB2 SER 103 1HB SER 103 20.874 18.770 9.830 737 HB3 SER 103 2HB SER 103 21.414 20.162 10.777 738 HG SER 103 HG SER 103 21.561 21.380 8.986 739 H ILE 104 H ILE 104 23.503 20.510 11.735 740 HA ILE 104 HA ILE 104 25.012 18.456 13.152 741 HB ILE 104 HB ILE 104 25.939 20.659 13.001 742 HG12 ILE 104 1HG1 ILE 104 26.344 21.233 15.354 743 HG13 ILE 104 2HG1 ILE 104 25.039 20.166 15.869 744 HG21 ILE 104 1HG2 ILE 104 23.963 22.085 12.708 745 HG22 ILE 104 2HG2 ILE 104 23.509 21.836 14.403 746 HG23 ILE 104 3HG2 ILE 104 25.005 22.678 13.997 747 HD11 ILE 104 3HD1 ILE 104 27.314 19.144 16.055 748 HD12 ILE 104 1HD1 ILE 104 26.251 18.217 14.981 749 HD13 ILE 104 2HD1 ILE 104 27.498 19.281 14.290 750 H ASP 105 H ASP 105 22.987 17.093 13.077 751 HA ASP 105 HA ASP 105 21.119 17.735 15.310 752 HB2 ASP 105 1HB ASP 105 20.374 18.403 12.895 753 HB3 ASP 105 2HB ASP 105 20.207 16.674 12.619 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -40.748 7.273 -5.995 2 HA2 GLY 1 1HA GLY 1 -40.004 8.299 -8.688 3 HA3 GLY 1 2HA GLY 1 -38.991 8.512 -7.241 4 H HIS 2 H HIS 2 -37.822 7.155 -9.443 5 HA HIS 2 HA HIS 2 -37.267 4.616 -8.239 6 HB2 HIS 2 1HB HIS 2 -39.274 4.306 -9.915 7 HB3 HIS 2 2HB HIS 2 -38.075 4.607 -11.175 8 HD1 HIS 2 1HD HIS 2 -36.374 2.475 -11.649 9 HD2 HIS 2 2HD HIS 2 -38.933 2.125 -8.296 10 HE1 HIS 2 1HE HIS 2 -36.211 0.100 -10.862 11 H MET 3 H MET 3 -35.359 3.669 -9.772 12 HA MET 3 HA MET 3 -33.978 5.539 -11.414 13 HB2 MET 3 1HB MET 3 -31.908 5.728 -10.101 14 HB3 MET 3 2HB MET 3 -33.267 6.491 -9.311 15 HG2 MET 3 1HG MET 3 -33.446 4.172 -8.007 16 HG3 MET 3 2HG MET 3 -31.773 3.996 -8.536 17 HE1 MET 3 3HE MET 3 -33.474 7.117 -5.561 18 HE2 MET 3 1HE MET 3 -34.023 7.060 -7.249 19 HE3 MET 3 2HE MET 3 -34.316 5.676 -6.171 20 H GLY 4 H GLY 4 -31.476 4.209 -11.593 21 HA2 GLY 4 1HA GLY 4 -31.635 1.389 -11.596 22 HA3 GLY 4 2HA GLY 4 -32.198 1.998 -13.170 23 H SER 5 H SER 5 -29.495 1.941 -10.874 24 HA SER 5 HA SER 5 -27.856 3.498 -12.782 25 HB2 SER 5 1HB SER 5 -28.048 3.862 -9.775 26 HB3 SER 5 2HB SER 5 -27.228 4.910 -10.952 27 HG SER 5 HG SER 5 -29.223 5.822 -10.518 28 HA PRO 6 HA PRO 6 -24.510 0.706 -11.700 29 HB2 PRO 6 1HB PRO 6 -22.337 2.212 -12.411 30 HB3 PRO 6 2HB PRO 6 -23.503 1.572 -13.612 31 HG2 PRO 6 1HG PRO 6 -23.369 4.329 -12.396 32 HG3 PRO 6 2HG PRO 6 -23.575 3.873 -14.119 33 HD2 PRO 6 1HD PRO 6 -25.667 4.542 -12.478 34 HD3 PRO 6 2HD PRO 6 -25.814 3.375 -13.829 35 H VAL 7 H VAL 7 -22.143 1.125 -10.573 36 HA VAL 7 HA VAL 7 -22.615 2.298 -7.897 37 HB VAL 7 HB VAL 7 -21.735 -0.021 -8.141 38 HG11 VAL 7 1HG1 VAL 7 -20.424 0.190 -10.191 39 HG12 VAL 7 2HG1 VAL 7 -19.273 1.259 -9.375 40 HG13 VAL 7 3HG1 VAL 7 -19.439 -0.438 -8.871 41 HG21 VAL 7 3HG2 VAL 7 -21.214 1.263 -6.119 42 HG22 VAL 7 1HG2 VAL 7 -19.986 0.081 -6.528 43 HG23 VAL 7 2HG2 VAL 7 -19.700 1.806 -6.848 44 H SER 8 H SER 8 -21.111 3.778 -7.067 45 HA SER 8 HA SER 8 -19.322 5.176 -9.020 46 HB2 SER 8 1HB SER 8 -20.785 6.287 -6.590 47 HB3 SER 8 2HB SER 8 -19.450 7.108 -7.427 48 HG SER 8 HG SER 8 -21.693 7.645 -8.053 49 H TYR 9 H TYR 9 -17.496 3.986 -8.675 50 HA TYR 9 HA TYR 9 -16.545 3.525 -5.903 51 HB2 TYR 9 1HB TYR 9 -15.485 2.801 -8.627 52 HB3 TYR 9 2HB TYR 9 -14.380 3.075 -7.291 53 HD1 TYR 9 2HD TYR 9 -17.670 1.292 -7.677 54 HD2 TYR 9 1HD TYR 9 -13.616 1.153 -6.243 55 HE1 TYR 9 2HE TYR 9 -18.071 -0.980 -6.847 56 HE2 TYR 9 1HE TYR 9 -14.027 -1.097 -5.334 57 HH TYR 9 HH TYR 9 -16.476 -3.157 -5.932 58 H TYR 10 H TYR 10 -14.816 4.663 -5.119 59 HA TYR 10 HA TYR 10 -14.016 7.195 -6.397 60 HB2 TYR 10 1HB TYR 10 -14.707 6.680 -3.476 61 HB3 TYR 10 2HB TYR 10 -13.884 8.104 -4.122 62 HD1 TYR 10 1HD TYR 10 -15.028 9.784 -5.433 63 HD2 TYR 10 2HD TYR 10 -17.107 6.271 -4.053 64 HE1 TYR 10 1HE TYR 10 -17.153 10.747 -6.225 65 HE2 TYR 10 2HE TYR 10 -19.246 7.178 -4.838 66 HH TYR 10 HH TYR 10 -19.248 10.235 -6.782 67 H PHE 11 H PHE 11 -11.935 6.960 -6.834 68 HA PHE 11 HA PHE 11 -10.134 5.336 -5.142 69 HB2 PHE 11 1HB PHE 11 -9.417 4.132 -7.287 70 HB3 PHE 11 2HB PHE 11 -10.842 3.597 -6.480 71 HD1 PHE 11 2HD PHE 11 -10.458 6.396 -9.059 72 HD2 PHE 11 1HD PHE 11 -12.223 2.606 -8.002 73 HE1 PHE 11 2HE PHE 11 -11.720 6.398 -11.167 74 HE2 PHE 11 1HE PHE 11 -13.574 2.676 -10.073 75 HZ PHE 11 HZ PHE 11 -13.291 4.552 -11.691 76 H SER 12 H SER 12 -10.074 8.043 -5.130 77 HA SER 12 HA SER 12 -7.556 8.632 -6.385 78 HB2 SER 12 1HB SER 12 -9.975 10.298 -7.127 79 HB3 SER 12 2HB SER 12 -8.280 10.542 -7.631 80 HG SER 12 HG SER 12 -8.881 8.088 -8.260 81 H TYR 13 H TYR 13 -7.220 11.215 -5.883 82 HA TYR 13 HA TYR 13 -7.704 11.602 -3.030 83 HB2 TYR 13 1HB TYR 13 -6.189 13.104 -5.184 84 HB3 TYR 13 2HB TYR 13 -6.530 13.833 -3.624 85 HD1 TYR 13 2HD TYR 13 -4.743 11.041 -5.296 86 HD2 TYR 13 1HD TYR 13 -5.280 13.360 -1.697 87 HE1 TYR 13 2HE TYR 13 -2.777 9.908 -4.269 88 HE2 TYR 13 1HE TYR 13 -3.327 12.219 -0.672 89 HH TYR 13 HH TYR 13 -2.103 9.291 -1.760 90 H ALA 14 H ALA 14 -8.203 14.264 -2.886 91 HA ALA 14 HA ALA 14 -10.982 14.574 -3.898 92 HB1 ALA 14 1HB ALA 14 -9.863 15.214 -1.114 93 HB2 ALA 14 2HB ALA 14 -11.550 15.368 -1.661 94 HB3 ALA 14 3HB ALA 14 -10.818 13.773 -1.541 95 H ASP 15 H ASP 15 -8.767 15.608 -5.271 96 HA ASP 15 HA ASP 15 -8.780 18.530 -4.789 97 HB2 ASP 15 1HB ASP 15 -6.328 18.557 -4.433 98 HB3 ASP 15 2HB ASP 15 -7.187 17.690 -3.172 99 H GLY 16 H GLY 16 -8.664 16.061 -7.044 100 HA2 GLY 16 1HA GLY 16 -8.966 16.636 -9.316 101 HA3 GLY 16 2HA GLY 16 -7.811 17.953 -9.161 102 H GLY 17 H GLY 17 -6.199 15.524 -7.555 103 HA2 GLY 17 1HA GLY 17 -4.923 14.495 -10.068 104 HA3 GLY 17 2HA GLY 17 -4.077 14.888 -8.574 105 H THR 18 H THR 18 -3.606 12.482 -9.688 106 HA THR 18 HA THR 18 -4.883 10.514 -7.839 107 HB THR 18 HB THR 18 -4.721 8.878 -9.749 108 HG1 THR 18 1HG THR 18 -3.391 9.927 -11.135 109 HG21 THR 18 3HG2 THR 18 -6.617 11.205 -10.159 110 HG22 THR 18 1HG2 THR 18 -6.833 9.802 -9.091 111 HG23 THR 18 2HG2 THR 18 -6.774 9.570 -10.843 112 H SER 19 H SER 19 -2.450 11.799 -7.151 113 HA SER 19 HA SER 19 -1.114 9.473 -6.434 114 HB2 SER 19 1HB SER 19 -0.182 10.259 -8.936 115 HB3 SER 19 2HB SER 19 0.866 11.172 -7.864 116 HG SER 19 HG SER 19 1.470 9.148 -6.906 117 H HIS 20 H HIS 20 0.817 10.089 -5.013 118 HA HIS 20 HA HIS 20 0.783 12.881 -4.095 119 HB2 HIS 20 1HB HIS 20 1.866 11.877 -2.013 120 HB3 HIS 20 2HB HIS 20 0.125 11.889 -2.163 121 HD1 HIS 20 1HD HIS 20 0.982 8.773 -3.929 122 HD2 HIS 20 2HD HIS 20 0.887 10.181 0.029 123 HE1 HIS 20 1HE HIS 20 0.480 6.772 -2.481 124 H THR 21 H THR 21 2.829 13.853 -4.042 125 HA THR 21 HA THR 21 5.127 12.199 -4.076 126 HB THR 21 HB THR 21 4.863 14.272 -6.304 127 HG1 THR 21 1HG THR 21 4.152 11.701 -6.164 128 HG21 THR 21 3HG2 THR 21 7.175 14.124 -5.519 129 HG22 THR 21 1HG2 THR 21 7.030 13.309 -7.093 130 HG23 THR 21 2HG2 THR 21 7.146 12.370 -5.601 131 H GLU 22 H GLU 22 6.848 13.366 -2.962 132 HA GLU 22 HA GLU 22 6.410 16.250 -2.567 133 HB2 GLU 22 1HB GLU 22 6.969 15.971 -0.183 134 HB3 GLU 22 2HB GLU 22 5.397 15.295 -0.650 135 HG2 GLU 22 1HG GLU 22 6.465 13.013 -0.617 136 HG3 GLU 22 2HG GLU 22 7.939 13.789 -0.006 137 H TYR 23 H TYR 23 8.243 17.361 -1.878 138 HA TYR 23 HA TYR 23 10.853 16.075 -2.493 139 HB2 TYR 23 1HB TYR 23 9.760 18.724 -3.494 140 HB3 TYR 23 2HB TYR 23 11.381 18.102 -3.779 141 HD1 TYR 23 2HD TYR 23 7.762 17.713 -4.622 142 HD2 TYR 23 1HD TYR 23 11.763 16.319 -5.383 143 HE1 TYR 23 2HE TYR 23 6.942 16.540 -6.604 144 HE2 TYR 23 1HE TYR 23 10.961 15.102 -7.378 145 HH TYR 23 HH TYR 23 7.485 15.167 -8.340 146 HA PRO 24 HA PRO 24 10.555 18.447 1.584 147 HB2 PRO 24 1HB PRO 24 11.741 16.481 3.169 148 HB3 PRO 24 2HB PRO 24 9.982 16.557 2.828 149 HG2 PRO 24 1HG PRO 24 12.136 15.015 1.438 150 HG3 PRO 24 2HG PRO 24 10.571 14.380 2.064 151 HD2 PRO 24 1HD PRO 24 10.888 14.982 -0.546 152 HD3 PRO 24 2HD PRO 24 9.393 15.484 0.305 153 H ASP 25 H ASP 25 12.483 18.824 3.222 154 HA ASP 25 HA ASP 25 15.049 18.780 1.762 155 HB2 ASP 25 1HB ASP 25 13.661 21.101 2.267 156 HB3 ASP 25 2HB ASP 25 14.699 21.004 3.682 157 H ASP 26 H ASP 26 16.616 19.703 3.780 158 HA ASP 26 HA ASP 26 17.379 17.204 4.779 159 HB2 ASP 26 1HB ASP 26 18.622 19.337 3.996 160 HB3 ASP 26 2HB ASP 26 18.480 19.890 5.647 161 H SER 27 H SER 27 14.957 18.649 6.060 162 HA SER 27 HA SER 27 15.287 17.336 8.649 163 HB2 SER 27 1HB SER 27 14.649 20.321 8.592 164 HB3 SER 27 2HB SER 27 14.639 19.283 10.036 165 HG SER 27 HG SER 27 16.916 19.061 8.589 166 H SER 28 H SER 28 13.318 17.752 6.020 167 HA SER 28 HA SER 28 10.852 18.381 7.493 168 HB2 SER 28 1HB SER 28 11.179 17.905 4.552 169 HB3 SER 28 2HB SER 28 9.898 18.773 5.391 170 HG SER 28 HG SER 28 11.193 20.474 5.589 171 H ALA 29 H ALA 29 10.488 16.418 8.663 172 HA ALA 29 HA ALA 29 9.343 14.222 7.029 173 HB1 ALA 29 1HB ALA 29 10.611 12.505 8.250 174 HB2 ALA 29 2HB ALA 29 11.678 13.574 7.332 175 HB3 ALA 29 3HB ALA 29 11.528 13.786 9.090 176 H GLY 30 H GLY 30 7.745 12.833 8.209 177 HA2 GLY 30 1HA GLY 30 7.851 12.303 10.830 178 HA3 GLY 30 2HA GLY 30 6.800 13.743 10.790 179 H SER 31 H SER 31 4.900 12.554 11.395 180 HA SER 31 HA SER 31 3.855 10.731 9.319 181 HB2 SER 31 1HB SER 31 3.070 10.612 12.239 182 HB3 SER 31 2HB SER 31 2.877 9.393 10.988 183 HG SER 31 HG SER 31 5.265 9.393 10.970 184 H PHE 32 H PHE 32 2.274 11.727 8.246 185 HA PHE 32 HA PHE 32 0.356 13.454 9.758 186 HB2 PHE 32 1HB PHE 32 0.013 14.826 7.758 187 HB3 PHE 32 2HB PHE 32 1.591 14.921 8.472 188 HD1 PHE 32 2HD PHE 32 -0.238 13.302 5.535 189 HD2 PHE 32 1HD PHE 32 3.535 14.588 7.250 190 HE1 PHE 32 2HE PHE 32 0.858 13.071 3.344 191 HE2 PHE 32 1HE PHE 32 4.557 14.472 5.013 192 HZ PHE 32 HZ PHE 32 3.205 13.834 3.041 193 H ILE 33 H ILE 33 -1.544 13.815 7.756 194 HA ILE 33 HA ILE 33 -2.692 11.184 7.173 195 HB ILE 33 HB ILE 33 -4.088 13.476 8.653 196 HG12 ILE 33 1HG1 ILE 33 -3.151 10.716 9.495 197 HG13 ILE 33 2HG1 ILE 33 -2.714 12.270 10.186 198 HG21 ILE 33 1HG2 ILE 33 -5.219 10.888 7.526 199 HG22 ILE 33 2HG2 ILE 33 -6.079 11.914 8.687 200 HG23 ILE 33 3HG2 ILE 33 -5.681 12.552 7.114 201 HD11 ILE 33 3HD1 ILE 33 -4.124 11.156 11.739 202 HD12 ILE 33 1HD1 ILE 33 -5.033 12.520 11.067 203 HD13 ILE 33 2HD1 ILE 33 -5.372 10.852 10.531 204 H LEU 34 H LEU 34 -4.345 11.449 5.460 205 HA LEU 34 HA LEU 34 -4.079 13.842 3.731 206 HB2 LEU 34 1HB LEU 34 -3.805 10.899 2.971 207 HB3 LEU 34 2HB LEU 34 -4.054 12.171 1.783 208 HG LEU 34 HG LEU 34 -1.665 12.085 3.672 209 HD11 LEU 34 1HD1 LEU 34 -1.720 10.117 2.169 210 HD12 LEU 34 2HD1 LEU 34 -0.380 11.211 1.813 211 HD13 LEU 34 3HD1 LEU 34 -1.804 11.202 0.765 212 HD21 LEU 34 3HD2 LEU 34 -0.719 13.677 1.970 213 HD22 LEU 34 1HD2 LEU 34 -2.078 14.312 2.881 214 HD23 LEU 34 2HD2 LEU 34 -2.310 13.762 1.202 215 H ASP 35 H ASP 35 -5.864 13.669 1.989 216 HA ASP 35 HA ASP 35 -8.382 12.720 3.274 217 HB2 ASP 35 1HB ASP 35 -7.718 15.239 1.734 218 HB3 ASP 35 2HB ASP 35 -9.373 14.684 1.944 219 H ILE 36 H ILE 36 -6.836 11.057 1.625 220 HA ILE 36 HA ILE 36 -7.642 10.729 -1.037 221 HB ILE 36 HB ILE 36 -6.920 8.710 1.120 222 HG12 ILE 36 1HG1 ILE 36 -5.000 9.511 -1.068 223 HG13 ILE 36 2HG1 ILE 36 -5.250 10.665 0.236 224 HG21 ILE 36 1HG2 ILE 36 -6.177 7.222 -0.796 225 HG22 ILE 36 2HG2 ILE 36 -7.917 7.424 -0.663 226 HG23 ILE 36 3HG2 ILE 36 -7.017 8.326 -1.904 227 HD11 ILE 36 3HD1 ILE 36 -4.433 7.773 0.653 228 HD12 ILE 36 1HD1 ILE 36 -3.377 9.204 0.734 229 HD13 ILE 36 2HD1 ILE 36 -4.686 8.996 1.916 230 H THR 37 H THR 37 -9.290 9.501 -2.034 231 HA THR 37 HA THR 37 -11.599 8.791 -0.340 232 HB THR 37 HB THR 37 -11.794 9.391 -3.291 233 HG1 THR 37 1HG THR 37 -11.711 11.290 -1.169 234 HG21 THR 37 3HG2 THR 37 -13.702 8.483 -1.837 235 HG22 THR 37 1HG2 THR 37 -14.050 10.019 -2.667 236 HG23 THR 37 2HG2 THR 37 -13.629 10.018 -0.943 237 H SER 38 H SER 38 -11.802 6.625 -0.126 238 HA SER 38 HA SER 38 -11.278 4.858 -2.430 239 HB2 SER 38 1HB SER 38 -9.194 4.905 -1.103 240 HB3 SER 38 2HB SER 38 -10.115 4.395 0.321 241 HG SER 38 HG SER 38 -9.998 2.438 -0.365 242 H TYR 39 H TYR 39 -13.637 4.780 -2.560 243 HA TYR 39 HA TYR 39 -14.662 2.761 -0.837 244 HB2 TYR 39 1HB TYR 39 -16.640 3.932 0.066 245 HB3 TYR 39 2HB TYR 39 -15.153 4.557 0.703 246 HD1 TYR 39 1HD TYR 39 -18.075 5.304 -1.392 247 HD2 TYR 39 2HD TYR 39 -14.446 6.844 0.339 248 HE1 TYR 39 1HE TYR 39 -18.910 7.658 -1.700 249 HE2 TYR 39 2HE TYR 39 -15.301 9.125 0.153 250 HH TYR 39 HH TYR 39 -16.949 10.501 -0.623 251 H LYS 40 H LYS 40 -17.023 2.195 -1.483 252 HA LYS 40 HA LYS 40 -17.636 2.976 -4.283 253 HB2 LYS 40 1HB LYS 40 -18.344 0.834 -4.820 254 HB3 LYS 40 2HB LYS 40 -16.698 0.738 -4.226 255 HG2 LYS 40 1HG LYS 40 -17.368 -1.026 -3.010 256 HG3 LYS 40 2HG LYS 40 -18.151 0.129 -1.951 257 HD2 LYS 40 1HD LYS 40 -19.939 -1.281 -2.384 258 HD3 LYS 40 2HD LYS 40 -20.161 -0.088 -3.665 259 HE2 LYS 40 1HE LYS 40 -20.273 -1.898 -5.055 260 HE3 LYS 40 2HE LYS 40 -18.508 -1.896 -4.938 261 HZ1 LYS 40 3HZ LYS 40 -19.317 -4.073 -4.477 262 HZ2 LYS 40 1HZ LYS 40 -20.410 -3.549 -3.393 263 HZ3 LYS 40 2HZ LYS 40 -18.794 -3.490 -3.047 264 H LYS 41 H LYS 41 -19.671 3.816 -4.529 265 HA LYS 41 HA LYS 41 -21.508 3.723 -2.180 266 HB2 LYS 41 1HB LYS 41 -20.300 5.838 -2.704 267 HB3 LYS 41 2HB LYS 41 -21.017 5.829 -4.325 268 HG2 LYS 41 1HG LYS 41 -23.263 6.064 -3.361 269 HG3 LYS 41 2HG LYS 41 -22.583 5.958 -1.715 270 HD2 LYS 41 1HD LYS 41 -21.106 7.968 -2.356 271 HD3 LYS 41 2HD LYS 41 -22.112 8.130 -3.811 272 HE2 LYS 41 1HE LYS 41 -24.100 8.451 -2.413 273 HE3 LYS 41 2HE LYS 41 -23.147 8.097 -0.951 274 HZ1 LYS 41 3HZ LYS 41 -21.920 10.049 -1.231 275 HZ2 LYS 41 1HZ LYS 41 -23.456 10.537 -1.381 276 HZ3 LYS 41 2HZ LYS 41 -22.511 10.373 -2.717 277 H THR 42 H THR 42 -23.531 2.965 -2.605 278 HA THR 42 HA THR 42 -24.815 3.099 -5.037 279 HB THR 42 HB THR 42 -23.355 1.519 -6.007 280 HG1 THR 42 1HG THR 42 -24.679 0.008 -6.680 281 HG21 THR 42 3HG2 THR 42 -22.893 -0.725 -5.178 282 HG22 THR 42 1HG2 THR 42 -23.855 -0.398 -3.716 283 HG23 THR 42 2HG2 THR 42 -22.334 0.486 -4.019 284 H GLY 43 H GLY 43 -26.980 2.391 -4.831 285 HA2 GLY 43 1HA GLY 43 -28.913 2.290 -3.688 286 HA3 GLY 43 2HA GLY 43 -28.171 1.034 -2.679 287 H ASN 44 H ASN 44 -27.573 1.563 -0.596 288 HA ASN 44 HA ASN 44 -27.824 4.368 0.331 289 HB2 ASN 44 1HB ASN 44 -30.043 3.116 0.440 290 HB3 ASN 44 2HB ASN 44 -29.280 1.989 1.560 291 HD21 ASN 44 1HD2 ASN 44 -29.626 5.586 1.106 292 HD22 ASN 44 2HD2 ASN 44 -29.991 5.904 2.778 293 H SER 45 H SER 45 -25.472 2.590 -0.110 294 HA SER 45 HA SER 45 -24.398 2.717 2.617 295 HB2 SER 45 1HB SER 45 -24.196 0.214 0.914 296 HB3 SER 45 2HB SER 45 -23.428 0.488 2.491 297 HG SER 45 HG SER 45 -26.221 0.237 1.936 298 H THR 46 H THR 46 -22.111 2.657 2.688 299 HA THR 46 HA THR 46 -20.657 2.950 0.178 300 HB THR 46 HB THR 46 -19.117 4.507 1.460 301 HG1 THR 46 1HG THR 46 -21.440 4.898 3.048 302 HG21 THR 46 3HG2 THR 46 -21.909 5.529 0.803 303 HG22 THR 46 1HG2 THR 46 -20.573 5.306 -0.343 304 HG23 THR 46 2HG2 THR 46 -20.433 6.507 0.939 305 H LYS 47 H LYS 47 -19.176 1.438 0.095 306 HA LYS 47 HA LYS 47 -18.194 0.032 2.556 307 HB2 LYS 47 1HB LYS 47 -19.028 -1.096 0.073 308 HB3 LYS 47 2HB LYS 47 -17.282 -1.011 -0.056 309 HG2 LYS 47 1HG LYS 47 -17.454 -3.065 0.871 310 HG3 LYS 47 2HG LYS 47 -17.313 -2.128 2.347 311 HD2 LYS 47 1HD LYS 47 -19.976 -2.939 1.096 312 HD3 LYS 47 2HD LYS 47 -19.136 -3.924 2.294 313 HE2 LYS 47 1HE LYS 47 -19.302 -2.232 3.978 314 HE3 LYS 47 2HE LYS 47 -19.864 -1.031 2.799 315 HZ1 LYS 47 3HZ LYS 47 -21.628 -1.904 4.137 316 HZ2 LYS 47 1HZ LYS 47 -21.396 -3.430 3.507 317 HZ3 LYS 47 2HZ LYS 47 -21.865 -2.175 2.530 318 H ALA 48 H ALA 48 -16.330 0.980 3.263 319 HA ALA 48 HA ALA 48 -14.618 2.638 1.576 320 HB1 ALA 48 1HB ALA 48 -14.152 1.282 4.275 321 HB2 ALA 48 2HB ALA 48 -13.023 2.391 3.465 322 HB3 ALA 48 3HB ALA 48 -14.601 2.982 4.007 323 H LEU 49 H LEU 49 -12.969 1.840 0.309 324 HA LEU 49 HA LEU 49 -12.568 -1.118 0.251 325 HB2 LEU 49 1HB LEU 49 -11.574 1.044 -1.649 326 HB3 LEU 49 2HB LEU 49 -11.031 -0.603 -1.628 327 HG LEU 49 HG LEU 49 -12.471 -0.744 -3.317 328 HD11 LEU 49 1HD1 LEU 49 -14.451 -1.250 -1.052 329 HD12 LEU 49 2HD1 LEU 49 -13.279 -2.424 -1.680 330 HD13 LEU 49 3HD1 LEU 49 -14.586 -1.812 -2.726 331 HD21 LEU 49 3HD2 LEU 49 -14.447 1.043 -1.911 332 HD22 LEU 49 1HD2 LEU 49 -14.509 0.543 -3.590 333 HD23 LEU 49 2HD2 LEU 49 -13.207 1.625 -3.076 334 H SER 50 H SER 50 -11.096 -1.794 1.516 335 HA SER 50 HA SER 50 -8.967 -0.134 2.670 336 HB2 SER 50 1HB SER 50 -9.661 -3.099 2.658 337 HB3 SER 50 2HB SER 50 -8.175 -2.460 3.386 338 HG SER 50 HG SER 50 -10.872 -1.836 4.094 339 H TRP 51 H TRP 51 -6.671 -0.975 2.310 340 HA TRP 51 HA TRP 51 -6.032 -2.190 -0.209 341 HB2 TRP 51 1HB TRP 51 -4.606 -0.352 -1.007 342 HB3 TRP 51 2HB TRP 51 -6.271 0.184 -0.920 343 HD1 TRP 51 HD TRP 51 -2.828 0.923 0.441 344 HE1 TRP 51 1HE TRP 51 -2.862 3.181 1.668 345 HE3 TRP 51 3HE TRP 51 -7.886 1.633 0.720 346 HZ2 TRP 51 2HZ TRP 51 -4.822 5.070 2.591 347 HZ3 TRP 51 3HZ TRP 51 -8.810 3.629 1.872 348 HH2 TRP 51 HH TRP 51 -7.284 5.381 2.765 349 H ASN 52 H ASN 52 -3.484 -2.202 -0.290 350 HA ASN 52 HA ASN 52 -2.243 -1.788 2.313 351 HB2 ASN 52 1HB ASN 52 -2.740 -4.401 1.654 352 HB3 ASN 52 2HB ASN 52 -1.207 -4.157 0.806 353 HD21 ASN 52 1HD2 ASN 52 -2.863 -4.159 3.915 354 HD22 ASN 52 2HD2 ASN 52 -1.424 -4.229 4.911 355 H ALA 53 H ALA 53 0.288 -1.838 1.796 356 HA ALA 53 HA ALA 53 0.805 -0.635 -0.846 357 HB1 ALA 53 1HB ALA 53 1.784 1.352 0.142 358 HB2 ALA 53 2HB ALA 53 0.097 1.208 0.669 359 HB3 ALA 53 3HB ALA 53 1.416 0.764 1.771 360 H SER 54 H SER 54 3.143 -0.676 -1.343 361 HA SER 54 HA SER 54 4.933 -2.041 0.525 362 HB2 SER 54 1HB SER 54 5.237 -3.948 -1.176 363 HB3 SER 54 2HB SER 54 3.818 -4.001 -0.118 364 HG SER 54 HG SER 54 3.878 -4.105 -2.734 365 H GLY 55 H GLY 55 7.055 -1.712 -0.020 366 HA2 GLY 55 1HA GLY 55 8.234 -1.165 -2.497 367 HA3 GLY 55 2HA GLY 55 7.644 0.370 -1.856 368 H ASP 56 H ASP 56 8.809 1.379 -0.327 369 HA ASP 56 HA ASP 56 11.362 0.284 0.548 370 HB2 ASP 56 1HB ASP 56 9.922 2.930 0.621 371 HB3 ASP 56 2HB ASP 56 11.248 2.684 1.742 372 H SER 57 H SER 57 12.083 0.322 2.740 373 HA SER 57 HA SER 57 10.339 -0.723 4.769 374 HB2 SER 57 1HB SER 57 13.148 0.471 4.971 375 HB3 SER 57 2HB SER 57 12.360 -0.520 6.195 376 HG SER 57 HG SER 57 13.369 -2.006 5.205 377 H TRP 58 H TRP 58 12.004 2.423 4.361 378 HA TRP 58 HA TRP 58 11.394 3.428 6.941 379 HB2 TRP 58 1HB TRP 58 12.574 5.441 6.011 380 HB3 TRP 58 2HB TRP 58 13.451 3.941 5.886 381 HD1 TRP 58 HD TRP 58 13.958 2.972 3.484 382 HE1 TRP 58 1HE TRP 58 13.846 3.938 1.121 383 HE3 TRP 58 3HE TRP 58 11.377 7.297 4.457 384 HZ2 TRP 58 2HZ TRP 58 13.272 6.514 -0.069 385 HZ3 TRP 58 3HZ TRP 58 11.135 9.024 2.711 386 HH2 TRP 58 HH TRP 58 12.093 8.654 0.440 387 H ILE 59 H ILE 59 8.943 2.856 5.324 388 HA ILE 59 HA ILE 59 7.653 5.506 5.353 389 HB ILE 59 HB ILE 59 7.704 3.570 2.993 390 HG12 ILE 59 1HG1 ILE 59 8.462 6.524 3.210 391 HG13 ILE 59 2HG1 ILE 59 9.588 5.177 3.084 392 HG21 ILE 59 1HG2 ILE 59 6.033 5.130 1.972 393 HG22 ILE 59 2HG2 ILE 59 5.402 4.225 3.323 394 HG23 ILE 59 3HG2 ILE 59 5.848 5.924 3.539 395 HD11 ILE 59 3HD1 ILE 59 9.454 6.140 0.925 396 HD12 ILE 59 1HD1 ILE 59 8.605 4.585 0.868 397 HD13 ILE 59 2HD1 ILE 59 7.681 6.095 0.922 398 H HIS 60 H HIS 60 5.547 5.303 6.049 399 HA HIS 60 HA HIS 60 4.647 2.590 6.903 400 HB2 HIS 60 1HB HIS 60 4.488 5.181 8.480 401 HB3 HIS 60 2HB HIS 60 3.930 3.599 9.002 402 HD1 HIS 60 1HD HIS 60 5.758 1.916 9.915 403 HD2 HIS 60 2HD HIS 60 7.280 5.535 8.382 404 HE1 HIS 60 1HE HIS 60 8.172 2.157 10.784 405 H VAL 61 H VAL 61 2.579 2.193 6.411 406 HA VAL 61 HA VAL 61 0.853 4.396 5.373 407 HB VAL 61 HB VAL 61 1.410 1.795 3.886 408 HG11 VAL 61 1HG1 VAL 61 0.324 3.107 1.994 409 HG12 VAL 61 2HG1 VAL 61 -0.751 2.693 3.329 410 HG13 VAL 61 3HG1 VAL 61 -0.094 4.342 3.176 411 HG21 VAL 61 3HG2 VAL 61 3.468 3.050 3.735 412 HG22 VAL 61 1HG2 VAL 61 2.620 3.209 2.201 413 HG23 VAL 61 2HG2 VAL 61 2.587 4.557 3.362 414 H ASN 62 H ASN 62 -0.978 4.289 6.619 415 HA ASN 62 HA ASN 62 -2.177 1.654 7.255 416 HB2 ASN 62 1HB ASN 62 -0.579 3.281 9.114 417 HB3 ASN 62 2HB ASN 62 -2.226 3.186 9.673 418 HD21 ASN 62 1HD2 ASN 62 -0.706 0.438 7.874 419 HD22 ASN 62 2HD2 ASN 62 -0.824 -0.606 9.266 420 H GLY 63 H GLY 63 -3.775 2.326 5.762 421 HA2 GLY 63 1HA GLY 63 -5.710 3.302 5.111 422 HA3 GLY 63 2HA GLY 63 -6.117 3.306 6.838 423 H SER 64 H SER 64 -6.515 5.282 7.685 424 HA SER 64 HA SER 64 -6.063 7.714 6.209 425 HB2 SER 64 1HB SER 64 -7.201 7.282 8.990 426 HB3 SER 64 2HB SER 64 -7.388 8.714 7.963 427 HG SER 64 HG SER 64 -9.148 7.645 7.476 428 H SER 65 H SER 65 -3.471 6.522 6.963 429 HA SER 65 HA SER 65 -2.335 8.838 8.365 430 HB2 SER 65 1HB SER 65 -2.990 7.368 10.183 431 HB3 SER 65 2HB SER 65 -2.233 5.986 9.400 432 HG SER 65 HG SER 65 -0.257 6.737 9.875 433 H VAL 66 H VAL 66 0.017 8.956 8.070 434 HA VAL 66 HA VAL 66 1.238 7.119 6.113 435 HB VAL 66 HB VAL 66 1.545 10.089 5.675 436 HG11 VAL 66 1HG1 VAL 66 1.796 9.414 3.342 437 HG12 VAL 66 2HG1 VAL 66 2.861 8.486 4.416 438 HG13 VAL 66 3HG1 VAL 66 1.382 7.740 3.770 439 HG21 VAL 66 3HG2 VAL 66 -0.245 10.368 4.127 440 HG22 VAL 66 1HG2 VAL 66 -0.964 8.825 4.610 441 HG23 VAL 66 2HG2 VAL 66 -0.841 10.161 5.770 442 H SER 67 H SER 67 3.589 7.211 6.414 443 HA SER 67 HA SER 67 4.706 9.578 7.691 444 HB2 SER 67 1HB SER 67 5.756 6.971 8.754 445 HB3 SER 67 2HB SER 67 5.837 8.568 9.473 446 HG SER 67 HG SER 67 4.414 6.890 10.403 447 H TYR 68 H TYR 68 7.027 9.740 7.356 448 HA TYR 68 HA TYR 68 8.347 7.578 5.843 449 HB2 TYR 68 1HB TYR 68 9.040 10.315 4.914 450 HB3 TYR 68 2HB TYR 68 8.993 8.808 4.035 451 HD1 TYR 68 2HD TYR 68 6.538 7.938 3.309 452 HD2 TYR 68 1HD TYR 68 7.398 11.922 4.730 453 HE1 TYR 68 2HE TYR 68 4.330 8.713 2.496 454 HE2 TYR 68 1HE TYR 68 5.300 12.704 3.802 455 HH TYR 68 HH TYR 68 3.448 12.139 2.635 456 H ASP 69 H ASP 69 10.304 7.276 6.802 457 HA ASP 69 HA ASP 69 11.215 9.127 8.903 458 HB2 ASP 69 1HB ASP 69 11.770 6.274 8.098 459 HB3 ASP 69 2HB ASP 69 13.140 7.179 8.781 460 H GLU 70 H GLU 70 13.545 9.727 8.909 461 HA GLU 70 HA GLU 70 14.496 10.643 6.299 462 HB2 GLU 70 1HB GLU 70 14.844 11.422 9.023 463 HB3 GLU 70 2HB GLU 70 16.433 10.952 8.404 464 HG2 GLU 70 1HG GLU 70 16.111 12.523 6.496 465 HG3 GLU 70 2HG GLU 70 14.540 13.002 7.162 466 H ASN 71 H ASN 71 16.918 10.098 5.832 467 HA ASN 71 HA ASN 71 17.125 7.143 5.799 468 HB2 ASN 71 1HB ASN 71 18.965 7.613 4.107 469 HB3 ASN 71 2HB ASN 71 17.349 8.132 3.649 470 HD21 ASN 71 1HD2 ASN 71 18.148 9.659 2.112 471 HD22 ASN 71 2HD2 ASN 71 18.763 11.174 2.728 472 HA PRO 72 HA PRO 72 20.715 7.275 8.510 473 HB2 PRO 72 1HB PRO 72 21.920 4.952 7.989 474 HB3 PRO 72 2HB PRO 72 20.252 4.982 8.629 475 HG2 PRO 72 1HG PRO 72 21.126 4.747 5.716 476 HG3 PRO 72 2HG PRO 72 19.982 3.697 6.608 477 HD2 PRO 72 1HD PRO 72 19.127 5.733 5.066 478 HD3 PRO 72 2HD PRO 72 18.298 5.286 6.585 479 H ALA 73 H ALA 73 21.055 7.725 5.114 480 HA ALA 73 HA ALA 73 23.975 8.165 5.330 481 HB1 ALA 73 1HB ALA 73 22.590 6.448 3.203 482 HB2 ALA 73 2HB ALA 73 24.313 6.891 3.237 483 HB3 ALA 73 3HB ALA 73 23.663 5.851 4.508 484 H LYS 74 H LYS 74 24.803 9.409 3.453 485 HA LYS 74 HA LYS 74 22.903 11.563 3.006 486 HB2 LYS 74 1HB LYS 74 24.932 12.972 2.697 487 HB3 LYS 74 2HB LYS 74 24.694 12.258 4.271 488 HG2 LYS 74 1HG LYS 74 26.911 11.821 4.041 489 HG3 LYS 74 2HG LYS 74 26.277 10.341 3.415 490 HD2 LYS 74 1HD LYS 74 27.405 10.626 1.522 491 HD3 LYS 74 2HD LYS 74 26.515 12.108 1.155 492 HE2 LYS 74 1HE LYS 74 28.933 11.914 2.984 493 HE3 LYS 74 2HE LYS 74 29.016 12.387 1.276 494 HZ1 LYS 74 3HZ LYS 74 27.485 13.859 3.359 495 HZ2 LYS 74 1HZ LYS 74 27.650 14.290 1.778 496 HZ3 LYS 74 2HZ LYS 74 28.943 14.303 2.815 497 H GLU 75 H GLU 75 22.826 9.200 1.379 498 HA GLU 75 HA GLU 75 23.401 10.434 -1.257 499 HB2 GLU 75 1HB GLU 75 23.196 7.522 -0.498 500 HB3 GLU 75 2HB GLU 75 22.765 8.061 -2.113 501 HG2 GLU 75 1HG GLU 75 25.246 9.293 -1.719 502 HG3 GLU 75 2HG GLU 75 25.425 7.740 -0.907 503 H ARG 76 H ARG 76 21.701 10.345 -2.737 504 HA ARG 76 HA ARG 76 19.189 11.131 -1.512 505 HB2 ARG 76 1HB ARG 76 20.365 12.084 -3.657 506 HB3 ARG 76 2HB ARG 76 19.701 10.665 -4.459 507 HG2 ARG 76 1HG ARG 76 17.407 11.400 -3.696 508 HG3 ARG 76 2HG ARG 76 18.142 12.910 -3.140 509 HD2 ARG 76 1HD ARG 76 18.405 11.861 -5.997 510 HD3 ARG 76 2HD ARG 76 17.089 12.899 -5.474 511 HE ARG 76 HE ARG 76 18.476 14.709 -5.276 512 HH11 ARG 76 1HH1 ARG 76 20.624 11.965 -6.164 513 HH12 ARG 76 2HH1 ARG 76 21.721 12.996 -7.011 514 HH21 ARG 76 1HH2 ARG 76 19.895 15.970 -6.364 515 HH22 ARG 76 2HH2 ARG 76 21.214 15.330 -7.279 516 H ARG 77 H ARG 77 17.374 9.894 -1.329 517 HA ARG 77 HA ARG 77 17.220 7.264 -2.714 518 HB2 ARG 77 1HB ARG 77 15.664 8.129 -0.245 519 HB3 ARG 77 2HB ARG 77 15.743 6.533 -0.984 520 HG2 ARG 77 1HG ARG 77 18.285 6.615 -0.436 521 HG3 ARG 77 2HG ARG 77 17.887 8.014 0.564 522 HD2 ARG 77 1HD ARG 77 17.777 6.286 2.114 523 HD3 ARG 77 2HD ARG 77 16.089 6.469 1.655 524 HE ARG 77 HE ARG 77 16.163 4.448 0.477 525 HH11 ARG 77 1HH1 ARG 77 19.469 5.339 1.433 526 HH12 ARG 77 2HH1 ARG 77 20.139 3.770 1.260 527 HH21 ARG 77 1HH2 ARG 77 16.983 2.287 0.333 528 HH22 ARG 77 2HH2 ARG 77 18.692 2.018 0.439 529 H THR 78 H THR 78 15.784 7.263 -4.370 530 HA THR 78 HA THR 78 13.462 9.083 -4.356 531 HB THR 78 HB THR 78 14.057 6.624 -6.080 532 HG1 THR 78 1HG THR 78 14.976 7.937 -7.545 533 HG21 THR 78 3HG2 THR 78 12.360 9.078 -6.673 534 HG22 THR 78 1HG2 THR 78 11.727 7.471 -6.216 535 HG23 THR 78 2HG2 THR 78 12.601 7.680 -7.741 536 H GLY 79 H GLY 79 12.204 8.496 -2.486 537 HA2 GLY 79 1HA GLY 79 11.787 5.752 -1.648 538 HA3 GLY 79 2HA GLY 79 10.700 7.126 -1.371 539 H LEU 80 H LEU 80 10.278 4.243 -2.462 540 HA LEU 80 HA LEU 80 8.241 5.220 -4.315 541 HB2 LEU 80 1HB LEU 80 10.135 4.323 -5.797 542 HB3 LEU 80 2HB LEU 80 9.852 2.744 -5.058 543 HG LEU 80 HG LEU 80 7.354 3.068 -5.799 544 HD11 LEU 80 1HD1 LEU 80 8.708 5.123 -7.600 545 HD12 LEU 80 2HD1 LEU 80 7.479 5.457 -6.362 546 HD13 LEU 80 3HD1 LEU 80 7.044 4.506 -7.780 547 HD21 LEU 80 3HD2 LEU 80 7.769 2.154 -8.011 548 HD22 LEU 80 1HD2 LEU 80 8.875 1.434 -6.840 549 HD23 LEU 80 2HD2 LEU 80 9.467 2.682 -7.947 550 H VAL 81 H VAL 81 6.349 4.347 -3.708 551 HA VAL 81 HA VAL 81 6.240 1.612 -2.725 552 HB VAL 81 HB VAL 81 4.696 3.781 -1.263 553 HG11 VAL 81 1HG1 VAL 81 5.237 1.005 -0.272 554 HG12 VAL 81 2HG1 VAL 81 4.128 2.209 0.372 555 HG13 VAL 81 3HG1 VAL 81 3.773 1.441 -1.185 556 HG21 VAL 81 3HG2 VAL 81 7.015 4.143 -0.648 557 HG22 VAL 81 1HG2 VAL 81 6.201 3.325 0.697 558 HG23 VAL 81 2HG2 VAL 81 7.246 2.396 -0.385 559 H THR 82 H THR 82 4.421 0.653 -3.517 560 HA THR 82 HA THR 82 2.450 2.293 -5.078 561 HB THR 82 HB THR 82 3.267 -0.610 -5.515 562 HG1 THR 82 1HG THR 82 4.806 0.139 -6.631 563 HG21 THR 82 3HG2 THR 82 0.997 -0.203 -6.361 564 HG22 THR 82 1HG2 THR 82 2.118 -0.341 -7.711 565 HG23 THR 82 2HG2 THR 82 1.551 1.269 -7.205 566 H LEU 83 H LEU 83 0.174 1.440 -4.873 567 HA LEU 83 HA LEU 83 -0.312 -0.379 -2.626 568 HB2 LEU 83 1HB LEU 83 -2.213 0.916 -1.838 569 HB3 LEU 83 2HB LEU 83 -0.651 1.621 -1.549 570 HG LEU 83 HG LEU 83 -1.719 2.657 -4.068 571 HD11 LEU 83 1HD1 LEU 83 -3.522 3.088 -1.671 572 HD12 LEU 83 2HD1 LEU 83 -3.930 2.113 -3.102 573 HD13 LEU 83 3HD1 LEU 83 -3.647 3.850 -3.274 574 HD21 LEU 83 3HD2 LEU 83 -0.030 3.774 -2.990 575 HD22 LEU 83 1HD2 LEU 83 -0.750 3.647 -1.386 576 HD23 LEU 83 2HD2 LEU 83 -1.442 4.783 -2.514 577 H LYS 84 H LYS 84 -2.533 -1.337 -2.767 578 HA LYS 84 HA LYS 84 -3.977 -0.798 -5.285 579 HB2 LYS 84 1HB LYS 84 -2.334 -2.608 -5.774 580 HB3 LYS 84 2HB LYS 84 -3.061 -3.594 -4.504 581 HG2 LYS 84 1HG LYS 84 -5.064 -2.588 -6.428 582 HG3 LYS 84 2HG LYS 84 -3.779 -3.490 -7.235 583 HD2 LYS 84 1HD LYS 84 -4.183 -5.449 -5.833 584 HD3 LYS 84 2HD LYS 84 -5.322 -4.535 -4.833 585 HE2 LYS 84 1HE LYS 84 -6.394 -4.092 -7.295 586 HE3 LYS 84 2HE LYS 84 -5.652 -5.671 -7.589 587 HZ1 LYS 84 3HZ LYS 84 -7.644 -4.984 -5.497 588 HZ2 LYS 84 1HZ LYS 84 -6.934 -6.433 -5.551 589 HZ3 LYS 84 2HZ LYS 84 -7.908 -5.929 -6.799 590 H GLN 85 H GLN 85 -6.107 -0.708 -4.898 591 HA GLN 85 HA GLN 85 -7.304 -1.124 -2.317 592 HB2 GLN 85 1HB GLN 85 -8.202 -0.473 -5.118 593 HB3 GLN 85 2HB GLN 85 -9.438 -0.985 -3.974 594 HG2 GLN 85 1HG GLN 85 -9.165 0.826 -2.568 595 HG3 GLN 85 2HG GLN 85 -7.550 1.215 -3.185 596 HE21 GLN 85 1HE2 GLN 85 -10.336 2.558 -3.024 597 HE22 GLN 85 2HE2 GLN 85 -10.684 3.258 -4.590 598 H ASP 86 H ASP 86 -8.846 -2.526 -1.760 599 HA ASP 86 HA ASP 86 -8.761 -5.272 -2.117 600 HB2 ASP 86 1HB ASP 86 -9.800 -3.978 -0.317 601 HB3 ASP 86 2HB ASP 86 -11.117 -3.512 -1.370 602 H GLU 87 H GLU 87 -11.802 -3.875 -3.094 603 HA GLU 87 HA GLU 87 -12.313 -5.736 -5.167 604 HB2 GLU 87 1HB GLU 87 -13.453 -2.990 -4.530 605 HB3 GLU 87 2HB GLU 87 -14.228 -4.114 -5.635 606 HG2 GLU 87 1HG GLU 87 -13.662 -4.715 -2.691 607 HG3 GLU 87 2HG GLU 87 -15.137 -3.930 -3.244 608 H SER 88 H SER 88 -10.659 -2.745 -5.144 609 HA SER 88 HA SER 88 -11.067 -2.197 -8.011 610 HB2 SER 88 1HB SER 88 -11.819 -0.646 -5.906 611 HB3 SER 88 2HB SER 88 -10.212 0.018 -6.207 612 HG SER 88 HG SER 88 -12.281 -0.407 -8.108 613 H GLY 89 H GLY 89 -8.791 -0.109 -7.680 614 HA2 GLY 89 1HA GLY 89 -6.395 -1.378 -7.461 615 HA3 GLY 89 2HA GLY 89 -6.972 -2.059 -8.970 616 H LYS 90 H LYS 90 -7.881 1.340 -8.497 617 HA LYS 90 HA LYS 90 -5.717 2.295 -10.223 618 HB2 LYS 90 1HB LYS 90 -7.765 3.681 -8.470 619 HB3 LYS 90 2HB LYS 90 -6.312 4.512 -8.990 620 HG2 LYS 90 1HG LYS 90 -7.013 3.686 -11.401 621 HG3 LYS 90 2HG LYS 90 -8.628 3.584 -10.679 622 HD2 LYS 90 1HD LYS 90 -8.488 5.946 -10.004 623 HD3 LYS 90 2HD LYS 90 -6.817 6.062 -10.532 624 HE2 LYS 90 1HE LYS 90 -9.177 5.504 -12.369 625 HE3 LYS 90 2HE LYS 90 -8.444 7.092 -12.102 626 HZ1 LYS 90 3HZ LYS 90 -7.156 4.753 -13.338 627 HZ2 LYS 90 1HZ LYS 90 -6.328 6.132 -12.921 628 HZ3 LYS 90 2HZ LYS 90 -7.549 6.177 -14.041 629 H THR 91 H THR 91 -3.835 1.530 -9.400 630 HA THR 91 HA THR 91 -3.086 1.783 -6.635 631 HB THR 91 HB THR 91 -0.853 1.298 -7.391 632 HG1 THR 91 1HG THR 91 -1.769 2.145 -9.918 633 HG21 THR 91 3HG2 THR 91 -1.130 -0.771 -8.362 634 HG22 THR 91 1HG2 THR 91 -2.515 -0.286 -9.383 635 HG23 THR 91 2HG2 THR 91 -2.715 -0.534 -7.638 636 H LEU 92 H LEU 92 -1.236 3.326 -5.894 637 HA LEU 92 HA LEU 92 -1.276 5.864 -7.428 638 HB2 LEU 92 1HB LEU 92 -1.457 5.555 -4.435 639 HB3 LEU 92 2HB LEU 92 -1.276 7.082 -5.241 640 HG LEU 92 HG LEU 92 -3.702 5.275 -5.658 641 HD11 LEU 92 1HD1 LEU 92 -4.836 6.456 -3.979 642 HD12 LEU 92 2HD1 LEU 92 -3.537 7.651 -3.801 643 HD13 LEU 92 3HD1 LEU 92 -3.309 5.985 -3.252 644 HD21 LEU 92 3HD2 LEU 92 -3.279 7.035 -7.426 645 HD22 LEU 92 1HD2 LEU 92 -3.374 8.271 -6.154 646 HD23 LEU 92 2HD2 LEU 92 -4.785 7.283 -6.532 647 H SER 93 H SER 93 0.784 6.824 -7.452 648 HA SER 93 HA SER 93 2.993 5.227 -6.303 649 HB2 SER 93 1HB SER 93 3.231 7.833 -7.835 650 HB3 SER 93 2HB SER 93 4.451 6.581 -7.574 651 HG SER 93 HG SER 93 2.420 5.397 -8.749 652 H LEU 94 H LEU 94 3.818 5.787 -4.392 653 HA LEU 94 HA LEU 94 3.448 8.515 -3.248 654 HB2 LEU 94 1HB LEU 94 2.870 6.717 -1.637 655 HB3 LEU 94 2HB LEU 94 4.324 5.846 -2.073 656 HG LEU 94 HG LEU 94 5.733 7.502 -1.040 657 HD11 LEU 94 1HD1 LEU 94 4.991 9.344 0.283 658 HD12 LEU 94 2HD1 LEU 94 3.295 8.999 -0.056 659 HD13 LEU 94 3HD1 LEU 94 4.351 9.591 -1.356 660 HD21 LEU 94 3HD2 LEU 94 4.729 5.626 0.246 661 HD22 LEU 94 1HD2 LEU 94 3.439 6.713 0.798 662 HD23 LEU 94 2HD2 LEU 94 5.130 7.033 1.248 663 H LYS 95 H LYS 95 5.256 9.751 -3.607 664 HA LYS 95 HA LYS 95 7.885 8.437 -3.935 665 HB2 LYS 95 1HB LYS 95 6.480 10.227 -5.927 666 HB3 LYS 95 2HB LYS 95 8.222 10.372 -5.688 667 HG2 LYS 95 1HG LYS 95 8.405 7.872 -6.070 668 HG3 LYS 95 2HG LYS 95 6.692 7.882 -6.529 669 HD2 LYS 95 1HD LYS 95 8.014 7.971 -8.533 670 HD3 LYS 95 2HD LYS 95 7.264 9.563 -8.313 671 HE2 LYS 95 1HE LYS 95 9.382 10.441 -7.367 672 HE3 LYS 95 2HE LYS 95 10.124 8.845 -7.491 673 HZ1 LYS 95 3HZ LYS 95 10.694 10.348 -9.326 674 HZ2 LYS 95 1HZ LYS 95 9.114 10.407 -9.782 675 HZ3 LYS 95 2HZ LYS 95 9.921 8.977 -9.867 676 H ILE 96 H ILE 96 9.102 9.258 -2.351 677 HA ILE 96 HA ILE 96 8.814 12.169 -1.598 678 HB ILE 96 HB ILE 96 10.073 9.840 -0.088 679 HG12 ILE 96 1HG1 ILE 96 7.816 10.968 1.345 680 HG13 ILE 96 2HG1 ILE 96 7.259 10.576 -0.254 681 HG21 ILE 96 1HG2 ILE 96 11.106 12.009 0.404 682 HG22 ILE 96 2HG2 ILE 96 9.524 12.647 0.909 683 HG23 ILE 96 3HG2 ILE 96 10.271 11.318 1.805 684 HD11 ILE 96 3HD1 ILE 96 8.643 8.701 1.697 685 HD12 ILE 96 1HD1 ILE 96 7.004 8.553 1.013 686 HD13 ILE 96 2HD1 ILE 96 8.418 8.304 -0.009 687 H VAL 97 H VAL 97 10.545 13.254 -2.640 688 HA VAL 97 HA VAL 97 13.038 11.692 -3.268 689 HB VAL 97 HB VAL 97 11.970 14.204 -4.610 690 HG11 VAL 97 1HG1 VAL 97 13.761 13.735 -6.281 691 HG12 VAL 97 2HG1 VAL 97 14.426 14.066 -4.681 692 HG13 VAL 97 3HG1 VAL 97 14.344 12.396 -5.266 693 HG21 VAL 97 3HG2 VAL 97 11.569 12.810 -6.594 694 HG22 VAL 97 1HG2 VAL 97 12.034 11.356 -5.678 695 HG23 VAL 97 2HG2 VAL 97 10.569 12.277 -5.245 696 H GLN 98 H GLN 98 14.093 11.951 -1.297 697 HA GLN 98 HA GLN 98 14.174 14.733 -0.224 698 HB2 GLN 98 1HB GLN 98 14.065 14.004 1.917 699 HB3 GLN 98 2HB GLN 98 12.902 13.026 1.065 700 HG2 GLN 98 1HG GLN 98 14.410 11.080 1.225 701 HG3 GLN 98 2HG GLN 98 15.568 12.083 2.125 702 HE21 GLN 98 1HE2 GLN 98 14.196 9.652 3.197 703 HE22 GLN 98 2HE2 GLN 98 13.172 10.218 4.493 704 HA PRO 99 HA PRO 99 18.696 14.588 -0.307 705 HB2 PRO 99 1HB PRO 99 19.346 16.282 1.757 706 HB3 PRO 99 2HB PRO 99 18.598 16.861 0.233 707 HG2 PRO 99 1HG PRO 99 17.219 16.159 2.838 708 HG3 PRO 99 2HG PRO 99 17.084 17.675 1.883 709 HD2 PRO 99 1HD PRO 99 15.267 15.704 1.641 710 HD3 PRO 99 2HD PRO 99 15.813 16.601 0.204 711 H GLY 100 H GLY 100 20.438 14.620 2.013 712 HA2 GLY 100 1HA GLY 100 19.532 12.545 3.786 713 HA3 GLY 100 2HA GLY 100 20.740 11.978 2.609 714 H LYS 101 H LYS 101 21.138 11.981 5.383 715 HA LYS 101 HA LYS 101 23.317 13.937 5.758 716 HB2 LYS 101 1HB LYS 101 22.477 14.848 7.727 717 HB3 LYS 101 2HB LYS 101 21.126 14.858 6.634 718 HG2 LYS 101 1HG LYS 101 21.550 13.303 9.165 719 HG3 LYS 101 2HG LYS 101 20.173 14.252 8.593 720 HD2 LYS 101 1HD LYS 101 19.764 12.278 6.941 721 HD3 LYS 101 2HD LYS 101 20.846 11.360 8.016 722 HE2 LYS 101 1HE LYS 101 18.222 12.707 8.646 723 HE3 LYS 101 2HE LYS 101 18.561 10.973 8.655 724 HZ1 LYS 101 3HZ LYS 101 19.913 11.352 10.657 725 HZ2 LYS 101 1HZ LYS 101 18.380 11.888 10.842 726 HZ3 LYS 101 2HZ LYS 101 19.554 12.981 10.587 727 H THR 102 H THR 102 24.317 13.441 8.100 728 HA THR 102 HA THR 102 24.587 10.642 8.784 729 HB THR 102 HB THR 102 27.090 10.854 8.160 730 HG1 THR 102 1HG THR 102 27.090 12.953 7.578 731 HG21 THR 102 3HG2 THR 102 26.919 9.887 5.991 732 HG22 THR 102 1HG2 THR 102 25.283 10.520 5.758 733 HG23 THR 102 2HG2 THR 102 25.562 9.269 6.974 734 H SER 103 H SER 103 24.136 11.638 11.001 735 HA SER 103 HA SER 103 26.551 12.770 12.099 736 HB2 SER 103 1HB SER 103 24.926 14.657 11.001 737 HB3 SER 103 2HB SER 103 24.181 14.559 12.605 738 HG SER 103 HG SER 103 25.932 15.394 13.454 739 H ILE 104 H ILE 104 25.780 13.563 14.548 740 HA ILE 104 HA ILE 104 24.410 11.197 15.722 741 HB ILE 104 HB ILE 104 25.809 13.536 17.096 742 HG12 ILE 104 1HG1 ILE 104 26.763 10.663 16.673 743 HG13 ILE 104 2HG1 ILE 104 27.410 12.083 15.860 744 HG21 ILE 104 1HG2 ILE 104 25.512 12.232 19.153 745 HG22 ILE 104 2HG2 ILE 104 23.943 12.458 18.399 746 HG23 ILE 104 3HG2 ILE 104 24.769 10.901 18.238 747 HD11 ILE 104 3HD1 ILE 104 28.107 13.025 18.069 748 HD12 ILE 104 1HD1 ILE 104 27.634 11.483 18.823 749 HD13 ILE 104 2HD1 ILE 104 28.923 11.514 17.615 750 H ASP 105 H ASP 105 22.403 11.667 14.713 751 HA ASP 105 HA ASP 105 20.872 13.840 16.050 752 HB2 ASP 105 1HB ASP 105 21.352 14.439 13.690 753 HB3 ASP 105 2HB ASP 105 20.593 12.964 13.156 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -33.705 16.927 -1.206 2 HA2 GLY 1 1HA GLY 1 -35.527 15.621 -2.106 3 HA3 GLY 1 2HA GLY 1 -34.630 15.509 -3.648 4 H HIS 2 H HIS 2 -35.389 13.102 -2.616 5 HA HIS 2 HA HIS 2 -33.054 11.879 -1.312 6 HB2 HIS 2 1HB HIS 2 -34.272 9.772 -2.011 7 HB3 HIS 2 2HB HIS 2 -35.147 10.793 -0.879 8 HD1 HIS 2 1HD HIS 2 -35.104 10.793 -4.802 9 HD2 HIS 2 2HD HIS 2 -37.668 10.851 -1.452 10 HE1 HIS 2 1HE HIS 2 -37.496 10.853 -5.703 11 H MET 3 H MET 3 -31.762 10.311 -2.626 12 HA MET 3 HA MET 3 -31.898 10.645 -5.551 13 HB2 MET 3 1HB MET 3 -29.405 11.013 -3.823 14 HB3 MET 3 2HB MET 3 -29.332 10.477 -5.501 15 HG2 MET 3 1HG MET 3 -29.028 12.742 -5.733 16 HG3 MET 3 2HG MET 3 -30.729 12.525 -6.105 17 HE1 MET 3 3HE MET 3 -31.875 14.618 -5.782 18 HE2 MET 3 1HE MET 3 -31.386 15.888 -4.644 19 HE3 MET 3 2HE MET 3 -30.251 15.343 -5.899 20 H GLY 4 H GLY 4 -30.892 8.781 -6.659 21 HA2 GLY 4 1HA GLY 4 -30.155 6.437 -5.160 22 HA3 GLY 4 2HA GLY 4 -31.699 6.299 -6.045 23 H SER 5 H SER 5 -28.934 5.061 -6.590 24 HA SER 5 HA SER 5 -28.576 5.666 -9.384 25 HB2 SER 5 1HB SER 5 -26.245 6.612 -8.879 26 HB3 SER 5 2HB SER 5 -27.608 7.676 -8.568 27 HG SER 5 HG SER 5 -26.152 7.760 -6.874 28 HA PRO 6 HA PRO 6 -26.600 1.687 -8.944 29 HB2 PRO 6 1HB PRO 6 -24.703 1.580 -10.897 30 HB3 PRO 6 2HB PRO 6 -26.449 1.720 -11.281 31 HG2 PRO 6 1HG PRO 6 -24.424 3.965 -11.026 32 HG3 PRO 6 2HG PRO 6 -25.486 3.613 -12.435 33 HD2 PRO 6 1HD PRO 6 -26.231 5.428 -10.586 34 HD3 PRO 6 2HD PRO 6 -27.440 4.284 -11.237 35 H VAL 7 H VAL 7 -24.294 0.627 -8.745 36 HA VAL 7 HA VAL 7 -23.029 2.055 -6.552 37 HB VAL 7 HB VAL 7 -22.297 -0.670 -7.702 38 HG11 VAL 7 1HG1 VAL 7 -20.588 0.426 -6.261 39 HG12 VAL 7 2HG1 VAL 7 -21.818 0.731 -5.023 40 HG13 VAL 7 3HG1 VAL 7 -21.342 -0.951 -5.430 41 HG21 VAL 7 3HG2 VAL 7 -24.245 0.106 -5.469 42 HG22 VAL 7 1HG2 VAL 7 -24.658 -0.697 -6.995 43 HG23 VAL 7 2HG2 VAL 7 -23.671 -1.549 -5.806 44 H SER 8 H SER 8 -21.660 3.582 -6.953 45 HA SER 8 HA SER 8 -19.771 3.494 -9.256 46 HB2 SER 8 1HB SER 8 -20.748 5.736 -7.461 47 HB3 SER 8 2HB SER 8 -19.466 5.911 -8.686 48 HG SER 8 HG SER 8 -21.270 6.518 -9.656 49 H TYR 9 H TYR 9 -17.714 2.886 -8.737 50 HA TYR 9 HA TYR 9 -16.761 3.028 -5.922 51 HB2 TYR 9 1HB TYR 9 -15.898 1.529 -8.386 52 HB3 TYR 9 2HB TYR 9 -14.718 1.928 -7.155 53 HD1 TYR 9 1HD TYR 9 -18.322 0.714 -7.006 54 HD2 TYR 9 2HD TYR 9 -14.232 0.216 -5.710 55 HE1 TYR 9 1HE TYR 9 -18.992 -1.216 -5.671 56 HE2 TYR 9 2HE TYR 9 -14.910 -1.649 -4.277 57 HH TYR 9 HH TYR 9 -16.880 -2.830 -3.298 58 H TYR 10 H TYR 10 -15.107 4.346 -5.305 59 HA TYR 10 HA TYR 10 -14.074 6.288 -7.311 60 HB2 TYR 10 1HB TYR 10 -14.339 6.472 -4.292 61 HB3 TYR 10 2HB TYR 10 -13.421 7.593 -5.297 62 HD1 TYR 10 1HD TYR 10 -16.832 6.452 -4.412 63 HD2 TYR 10 2HD TYR 10 -14.494 9.151 -6.825 64 HE1 TYR 10 1HE TYR 10 -18.879 7.716 -4.995 65 HE2 TYR 10 2HE TYR 10 -16.517 10.511 -7.281 66 HH TYR 10 HH TYR 10 -18.746 10.883 -6.526 67 H PHE 11 H PHE 11 -11.919 6.449 -7.623 68 HA PHE 11 HA PHE 11 -10.100 4.738 -6.111 69 HB2 PHE 11 1HB PHE 11 -9.436 3.532 -8.279 70 HB3 PHE 11 2HB PHE 11 -10.821 3.012 -7.361 71 HD1 PHE 11 1HD PHE 11 -10.021 5.216 -10.379 72 HD2 PHE 11 2HD PHE 11 -12.796 2.500 -8.472 73 HE1 PHE 11 1HE PHE 11 -11.410 5.219 -12.398 74 HE2 PHE 11 2HE PHE 11 -14.172 2.492 -10.528 75 HZ PHE 11 HZ PHE 11 -13.482 3.847 -12.501 76 H SER 12 H SER 12 -9.756 7.477 -6.088 77 HA SER 12 HA SER 12 -7.143 7.636 -7.270 78 HB2 SER 12 1HB SER 12 -7.680 9.809 -8.445 79 HB3 SER 12 2HB SER 12 -8.217 8.339 -9.244 80 HG SER 12 HG SER 12 -10.066 9.270 -9.309 81 H TYR 13 H TYR 13 -6.636 10.377 -6.771 82 HA TYR 13 HA TYR 13 -6.997 10.619 -3.862 83 HB2 TYR 13 1HB TYR 13 -5.694 12.320 -5.999 84 HB3 TYR 13 2HB TYR 13 -6.033 12.955 -4.421 85 HD1 TYR 13 1HD TYR 13 -4.293 10.002 -5.983 86 HD2 TYR 13 2HD TYR 13 -4.422 12.818 -2.735 87 HE1 TYR 13 1HE TYR 13 -2.251 8.963 -4.970 88 HE2 TYR 13 2HE TYR 13 -2.458 11.759 -1.719 89 HH TYR 13 HH TYR 13 -1.119 8.626 -2.804 90 H ALA 14 H ALA 14 -8.111 12.589 -3.072 91 HA ALA 14 HA ALA 14 -10.640 13.091 -4.566 92 HB1 ALA 14 1HB ALA 14 -11.548 13.768 -2.372 93 HB2 ALA 14 2HB ALA 14 -10.919 12.115 -2.282 94 HB3 ALA 14 3HB ALA 14 -9.995 13.481 -1.604 95 H ASP 15 H ASP 15 -7.608 14.345 -3.698 96 HA ASP 15 HA ASP 15 -8.263 17.107 -4.422 97 HB2 ASP 15 1HB ASP 15 -8.379 17.291 -2.050 98 HB3 ASP 15 2HB ASP 15 -7.003 16.196 -1.825 99 H GLY 16 H GLY 16 -7.416 15.798 -6.292 100 HA2 GLY 16 1HA GLY 16 -5.326 17.223 -7.136 101 HA3 GLY 16 2HA GLY 16 -4.436 15.902 -6.378 102 H GLY 17 H GLY 17 -4.800 13.751 -7.101 103 HA2 GLY 17 1HA GLY 17 -5.620 13.378 -9.903 104 HA3 GLY 17 2HA GLY 17 -3.890 13.620 -9.583 105 H THR 18 H THR 18 -2.812 11.696 -9.512 106 HA THR 18 HA THR 18 -4.058 9.422 -8.087 107 HB THR 18 HB THR 18 -3.503 7.869 -9.881 108 HG1 THR 18 1HG THR 18 -2.154 8.610 -11.216 109 HG21 THR 18 3HG2 THR 18 -5.796 8.751 -9.717 110 HG22 THR 18 1HG2 THR 18 -5.346 8.327 -11.371 111 HG23 THR 18 2HG2 THR 18 -5.382 10.027 -10.881 112 H SER 19 H SER 19 -1.820 11.337 -7.402 113 HA SER 19 HA SER 19 -0.016 9.226 -6.509 114 HB2 SER 19 1HB SER 19 0.582 10.268 -8.987 115 HB3 SER 19 2HB SER 19 1.437 11.396 -7.953 116 HG SER 19 HG SER 19 2.906 9.949 -8.000 117 H HIS 20 H HIS 20 1.193 9.975 -4.665 118 HA HIS 20 HA HIS 20 0.887 12.882 -3.967 119 HB2 HIS 20 1HB HIS 20 0.216 11.419 -2.109 120 HB3 HIS 20 2HB HIS 20 1.757 10.572 -2.191 121 HD1 HIS 20 1HD HIS 20 0.342 14.154 -1.418 122 HD2 HIS 20 2HD HIS 20 3.660 11.631 -0.725 123 HE1 HIS 20 1HE HIS 20 1.843 15.327 0.280 124 H THR 21 H THR 21 2.845 14.055 -3.719 125 HA THR 21 HA THR 21 5.265 12.557 -3.546 126 HB THR 21 HB THR 21 4.970 14.715 -5.689 127 HG1 THR 21 1HG THR 21 4.429 12.225 -5.736 128 HG21 THR 21 3HG2 THR 21 7.175 14.893 -4.678 129 HG22 THR 21 1HG2 THR 21 7.358 14.045 -6.229 130 HG23 THR 21 2HG2 THR 21 7.404 13.152 -4.689 131 H GLU 22 H GLU 22 6.569 13.556 -2.038 132 HA GLU 22 HA GLU 22 5.838 16.315 -1.271 133 HB2 GLU 22 1HB GLU 22 5.555 14.260 0.441 134 HB3 GLU 22 2HB GLU 22 7.287 14.445 0.600 135 HG2 GLU 22 1HG GLU 22 6.089 15.681 2.359 136 HG3 GLU 22 2HG GLU 22 6.967 16.795 1.308 137 H TYR 23 H TYR 23 7.549 17.762 -1.149 138 HA TYR 23 HA TYR 23 10.252 16.777 -1.905 139 HB2 TYR 23 1HB TYR 23 8.833 19.306 -2.822 140 HB3 TYR 23 2HB TYR 23 10.542 18.991 -3.023 141 HD1 TYR 23 2HD TYR 23 7.158 18.035 -4.161 142 HD2 TYR 23 1HD TYR 23 11.370 17.403 -4.635 143 HE1 TYR 23 2HE TYR 23 6.734 17.043 -6.406 144 HE2 TYR 23 1HE TYR 23 10.990 16.328 -6.826 145 HH TYR 23 HH TYR 23 9.449 15.737 -8.395 146 HA PRO 24 HA PRO 24 10.119 19.069 2.149 147 HB2 PRO 24 1HB PRO 24 11.427 17.264 3.738 148 HB3 PRO 24 2HB PRO 24 9.676 17.130 3.369 149 HG2 PRO 24 1HG PRO 24 12.007 15.784 1.994 150 HG3 PRO 24 2HG PRO 24 10.525 14.997 2.643 151 HD2 PRO 24 1HD PRO 24 10.732 15.639 0.013 152 HD3 PRO 24 2HD PRO 24 9.196 15.882 0.895 153 H ASP 25 H ASP 25 12.254 19.365 3.680 154 HA ASP 25 HA ASP 25 14.717 19.191 2.345 155 HB2 ASP 25 1HB ASP 25 13.622 21.327 1.334 156 HB3 ASP 25 2HB ASP 25 13.945 22.058 2.905 157 H ASP 26 H ASP 26 16.350 20.468 3.881 158 HA ASP 26 HA ASP 26 17.474 20.399 5.789 159 HB2 ASP 26 1HB ASP 26 16.039 22.213 6.527 160 HB3 ASP 26 2HB ASP 26 14.876 21.059 7.205 161 H SER 27 H SER 27 14.484 18.942 7.021 162 HA SER 27 HA SER 27 15.155 16.238 7.021 163 HB2 SER 27 1HB SER 27 16.892 16.573 8.606 164 HB3 SER 27 2HB SER 27 15.922 17.715 9.539 165 HG SER 27 HG SER 27 14.555 15.867 10.040 166 H SER 28 H SER 28 12.908 16.601 6.171 167 HA SER 28 HA SER 28 10.951 17.090 8.359 168 HB2 SER 28 1HB SER 28 10.619 18.057 5.551 169 HB3 SER 28 2HB SER 28 9.688 18.441 7.002 170 HG SER 28 HG SER 28 12.340 19.268 6.300 171 H ALA 29 H ALA 29 11.112 14.761 8.316 172 HA ALA 29 HA ALA 29 9.261 13.390 6.396 173 HB1 ALA 29 1HB ALA 29 11.124 12.157 8.467 174 HB2 ALA 29 2HB ALA 29 10.133 11.294 7.273 175 HB3 ALA 29 3HB ALA 29 11.468 12.313 6.725 176 H GLY 30 H GLY 30 7.629 11.643 7.708 177 HA2 GLY 30 1HA GLY 30 7.186 11.864 10.373 178 HA3 GLY 30 2HA GLY 30 6.241 13.173 9.631 179 H SER 31 H SER 31 4.352 12.017 10.441 180 HA SER 31 HA SER 31 3.507 9.721 8.769 181 HB2 SER 31 1HB SER 31 2.625 8.655 10.821 182 HB3 SER 31 2HB SER 31 4.399 8.789 10.824 183 HG SER 31 HG SER 31 2.588 10.567 12.054 184 H PHE 32 H PHE 32 2.096 10.903 7.599 185 HA PHE 32 HA PHE 32 0.008 12.470 9.049 186 HB2 PHE 32 1HB PHE 32 -0.137 13.782 6.947 187 HB3 PHE 32 2HB PHE 32 1.405 13.866 7.763 188 HD1 PHE 32 2HD PHE 32 3.431 12.779 6.847 189 HD2 PHE 32 1HD PHE 32 -0.320 12.746 4.691 190 HE1 PHE 32 2HE PHE 32 4.608 12.124 4.813 191 HE2 PHE 32 1HE PHE 32 0.931 12.187 2.609 192 HZ PHE 32 HZ PHE 32 3.349 11.886 2.641 193 H ILE 33 H ILE 33 -1.961 12.829 7.383 194 HA ILE 33 HA ILE 33 -2.904 10.209 6.351 195 HB ILE 33 HB ILE 33 -4.469 12.295 7.937 196 HG12 ILE 33 1HG1 ILE 33 -3.504 9.495 8.676 197 HG13 ILE 33 2HG1 ILE 33 -3.074 11.014 9.456 198 HG21 ILE 33 1HG2 ILE 33 -6.412 10.959 7.698 199 HG22 ILE 33 2HG2 ILE 33 -5.738 11.052 6.087 200 HG23 ILE 33 3HG2 ILE 33 -5.501 9.583 7.064 201 HD11 ILE 33 3HD1 ILE 33 -5.801 9.669 9.560 202 HD12 ILE 33 1HD1 ILE 33 -4.645 9.854 10.872 203 HD13 ILE 33 2HD1 ILE 33 -5.441 11.290 10.196 204 H LEU 34 H LEU 34 -3.304 10.423 4.230 205 HA LEU 34 HA LEU 34 -3.673 13.093 2.953 206 HB2 LEU 34 1HB LEU 34 -3.262 10.267 1.852 207 HB3 LEU 34 2HB LEU 34 -3.596 11.661 0.828 208 HG LEU 34 HG LEU 34 -1.230 11.601 2.723 209 HD11 LEU 34 1HD1 LEU 34 0.159 10.987 0.748 210 HD12 LEU 34 2HD1 LEU 34 -1.320 10.684 -0.169 211 HD13 LEU 34 3HD1 LEU 34 -0.946 9.704 1.256 212 HD21 LEU 34 3HD2 LEU 34 -1.867 13.837 1.930 213 HD22 LEU 34 1HD2 LEU 34 -1.877 13.267 0.240 214 HD23 LEU 34 2HD2 LEU 34 -0.364 13.350 1.165 215 H ASP 35 H ASP 35 -5.494 13.038 1.191 216 HA ASP 35 HA ASP 35 -7.952 11.924 2.466 217 HB2 ASP 35 1HB ASP 35 -7.813 14.099 0.361 218 HB3 ASP 35 2HB ASP 35 -9.164 13.653 1.395 219 H ILE 36 H ILE 36 -6.338 10.109 0.975 220 HA ILE 36 HA ILE 36 -7.002 9.978 -1.797 221 HB ILE 36 HB ILE 36 -6.159 7.852 0.201 222 HG12 ILE 36 1HG1 ILE 36 -4.622 9.207 -2.062 223 HG13 ILE 36 2HG1 ILE 36 -4.565 9.736 -0.379 224 HG21 ILE 36 1HG2 ILE 36 -5.625 6.399 -1.749 225 HG22 ILE 36 2HG2 ILE 36 -7.346 6.674 -1.557 226 HG23 ILE 36 3HG2 ILE 36 -6.452 7.562 -2.823 227 HD11 ILE 36 3HD1 ILE 36 -3.498 7.157 -1.521 228 HD12 ILE 36 1HD1 ILE 36 -2.652 8.424 -0.611 229 HD13 ILE 36 2HD1 ILE 36 -3.820 7.358 0.209 230 H THR 37 H THR 37 -8.768 9.121 -2.904 231 HA THR 37 HA THR 37 -11.142 8.673 -1.301 232 HB THR 37 HB THR 37 -11.219 8.142 -4.238 233 HG1 THR 37 1HG THR 37 -9.930 9.862 -4.438 234 HG21 THR 37 3HG2 THR 37 -13.212 8.253 -2.801 235 HG22 THR 37 1HG2 THR 37 -13.237 9.530 -4.031 236 HG23 THR 37 2HG2 THR 37 -12.814 9.928 -2.353 237 H SER 38 H SER 38 -12.087 6.668 -0.966 238 HA SER 38 HA SER 38 -11.634 4.471 -2.729 239 HB2 SER 38 1HB SER 38 -10.618 2.932 -1.033 240 HB3 SER 38 2HB SER 38 -9.508 4.142 -1.669 241 HG SER 38 HG SER 38 -10.373 3.695 0.855 242 H TYR 39 H TYR 39 -13.995 4.742 -2.705 243 HA TYR 39 HA TYR 39 -15.115 3.062 -0.671 244 HB2 TYR 39 1HB TYR 39 -16.773 4.568 0.205 245 HB3 TYR 39 2HB TYR 39 -15.228 5.340 0.414 246 HD1 TYR 39 2HD TYR 39 -14.530 7.065 -1.429 247 HD2 TYR 39 1HD TYR 39 -18.558 5.751 -0.723 248 HE1 TYR 39 2HE TYR 39 -15.342 9.102 -2.496 249 HE2 TYR 39 1HE TYR 39 -19.406 7.876 -1.723 250 HH TYR 39 HH TYR 39 -17.322 10.367 -3.146 251 H LYS 40 H LYS 40 -17.526 2.751 -1.231 252 HA LYS 40 HA LYS 40 -18.006 3.137 -4.159 253 HB2 LYS 40 1HB LYS 40 -19.255 1.148 -4.225 254 HB3 LYS 40 2HB LYS 40 -17.600 0.832 -3.652 255 HG2 LYS 40 1HG LYS 40 -18.583 -0.461 -2.084 256 HG3 LYS 40 2HG LYS 40 -19.008 1.045 -1.256 257 HD2 LYS 40 1HD LYS 40 -21.083 1.115 -2.766 258 HD3 LYS 40 2HD LYS 40 -20.608 -0.518 -3.302 259 HE2 LYS 40 1HE LYS 40 -20.561 -1.038 -0.731 260 HE3 LYS 40 2HE LYS 40 -21.686 0.330 -0.626 261 HZ1 LYS 40 3HZ LYS 40 -21.981 -2.099 -2.304 262 HZ2 LYS 40 1HZ LYS 40 -23.113 -0.894 -2.216 263 HZ3 LYS 40 2HZ LYS 40 -22.758 -1.834 -0.901 264 H LYS 41 H LYS 41 -19.678 4.454 -4.556 265 HA LYS 41 HA LYS 41 -21.541 5.157 -2.335 266 HB2 LYS 41 1HB LYS 41 -20.194 7.022 -3.518 267 HB3 LYS 41 2HB LYS 41 -21.146 6.675 -4.962 268 HG2 LYS 41 1HG LYS 41 -23.225 7.262 -3.692 269 HG3 LYS 41 2HG LYS 41 -22.239 7.540 -2.248 270 HD2 LYS 41 1HD LYS 41 -20.984 9.304 -3.643 271 HD3 LYS 41 2HD LYS 41 -22.284 9.134 -4.839 272 HE2 LYS 41 1HE LYS 41 -23.970 9.672 -3.049 273 HE3 LYS 41 2HE LYS 41 -22.644 9.850 -1.884 274 HZ1 LYS 41 3HZ LYS 41 -21.776 11.622 -3.336 275 HZ2 LYS 41 1HZ LYS 41 -23.182 12.004 -2.641 276 HZ3 LYS 41 2HZ LYS 41 -23.173 11.544 -4.231 277 H THR 42 H THR 42 -23.603 5.055 -2.524 278 HA THR 42 HA THR 42 -24.913 4.547 -5.011 279 HB THR 42 HB THR 42 -24.593 2.381 -4.826 280 HG1 THR 42 1HG THR 42 -26.499 1.631 -4.343 281 HG21 THR 42 3HG2 THR 42 -24.383 0.954 -2.764 282 HG22 THR 42 1HG2 THR 42 -24.170 2.472 -1.863 283 HG23 THR 42 2HG2 THR 42 -23.029 2.018 -3.155 284 H GLY 43 H GLY 43 -27.403 4.326 -4.134 285 HA2 GLY 43 1HA GLY 43 -28.109 6.911 -3.596 286 HA3 GLY 43 2HA GLY 43 -29.161 5.540 -3.218 287 H ASN 44 H ASN 44 -28.028 4.337 -1.080 288 HA ASN 44 HA ASN 44 -27.933 6.462 1.026 289 HB2 ASN 44 1HB ASN 44 -29.520 3.902 1.250 290 HB3 ASN 44 2HB ASN 44 -29.522 5.258 2.362 291 HD21 ASN 44 1HD2 ASN 44 -29.906 7.490 0.494 292 HD22 ASN 44 2HD2 ASN 44 -31.473 7.235 -0.221 293 H SER 45 H SER 45 -25.716 4.738 -0.161 294 HA SER 45 HA SER 45 -24.708 3.860 2.431 295 HB2 SER 45 1HB SER 45 -25.773 1.820 1.627 296 HB3 SER 45 2HB SER 45 -24.950 1.994 0.074 297 HG SER 45 HG SER 45 -23.521 1.580 2.497 298 H THR 46 H THR 46 -22.580 3.564 2.419 299 HA THR 46 HA THR 46 -20.859 4.180 0.261 300 HB THR 46 HB THR 46 -19.608 5.996 1.535 301 HG1 THR 46 1HG THR 46 -22.092 6.002 2.833 302 HG21 THR 46 3HG2 THR 46 -22.261 6.873 0.344 303 HG22 THR 46 1HG2 THR 46 -20.870 6.330 -0.611 304 HG23 THR 46 2HG2 THR 46 -20.733 7.770 0.402 305 H LYS 47 H LYS 47 -20.156 2.095 0.769 306 HA LYS 47 HA LYS 47 -18.929 1.528 3.429 307 HB2 LYS 47 1HB LYS 47 -19.183 -0.090 0.865 308 HB3 LYS 47 2HB LYS 47 -17.928 -0.433 2.050 309 HG2 LYS 47 1HG LYS 47 -19.663 -0.745 3.822 310 HG3 LYS 47 2HG LYS 47 -20.918 -0.475 2.598 311 HD2 LYS 47 1HD LYS 47 -20.688 -2.861 2.822 312 HD3 LYS 47 2HD LYS 47 -19.963 -2.385 1.282 313 HE2 LYS 47 1HE LYS 47 -17.728 -2.320 2.753 314 HE3 LYS 47 2HE LYS 47 -18.647 -3.397 3.814 315 HZ1 LYS 47 3HZ LYS 47 -18.922 -4.876 1.866 316 HZ2 LYS 47 1HZ LYS 47 -17.351 -4.617 2.182 317 HZ3 LYS 47 2HZ LYS 47 -18.042 -3.800 0.948 318 H ALA 48 H ALA 48 -16.826 2.055 3.779 319 HA ALA 48 HA ALA 48 -15.256 3.378 1.670 320 HB1 ALA 48 1HB ALA 48 -14.392 2.534 4.462 321 HB2 ALA 48 2HB ALA 48 -13.543 3.610 3.341 322 HB3 ALA 48 3HB ALA 48 -15.077 4.123 4.057 323 H LEU 49 H LEU 49 -13.124 2.440 1.131 324 HA LEU 49 HA LEU 49 -12.806 -0.470 1.542 325 HB2 LEU 49 1HB LEU 49 -12.054 1.280 -0.860 326 HB3 LEU 49 2HB LEU 49 -11.399 -0.298 -0.541 327 HG LEU 49 HG LEU 49 -12.911 -0.635 -2.152 328 HD11 LEU 49 1HD1 LEU 49 -13.086 -2.261 -0.252 329 HD12 LEU 49 2HD1 LEU 49 -14.517 -2.152 -1.282 330 HD13 LEU 49 3HD1 LEU 49 -14.521 -1.363 0.306 331 HD21 LEU 49 3HD2 LEU 49 -15.224 0.046 -2.290 332 HD22 LEU 49 1HD2 LEU 49 -14.161 1.450 -2.101 333 HD23 LEU 49 2HD2 LEU 49 -15.114 0.840 -0.712 334 H SER 50 H SER 50 -10.968 -0.904 2.586 335 HA SER 50 HA SER 50 -9.021 1.185 3.202 336 HB2 SER 50 1HB SER 50 -9.058 -1.814 3.786 337 HB3 SER 50 2HB SER 50 -7.972 -0.609 4.516 338 HG SER 50 HG SER 50 -9.782 0.444 5.380 339 H TRP 51 H TRP 51 -6.616 0.389 2.904 340 HA TRP 51 HA TRP 51 -6.006 -1.010 0.443 341 HB2 TRP 51 1HB TRP 51 -4.883 0.865 -0.588 342 HB3 TRP 51 2HB TRP 51 -6.516 1.381 -0.269 343 HD1 TRP 51 HD TRP 51 -2.947 1.747 1.175 344 HE1 TRP 51 1HE TRP 51 -2.728 3.997 2.369 345 HE3 TRP 51 3HE TRP 51 -7.781 3.378 0.738 346 HZ2 TRP 51 2HZ TRP 51 -4.372 6.278 2.900 347 HZ3 TRP 51 3HZ TRP 51 -8.398 5.655 1.557 348 HH2 TRP 51 HH TRP 51 -6.727 7.096 2.599 349 H ASN 52 H ASN 52 -3.613 -1.009 0.244 350 HA ASN 52 HA ASN 52 -2.089 -0.738 2.769 351 HB2 ASN 52 1HB ASN 52 -1.156 -3.039 2.416 352 HB3 ASN 52 2HB ASN 52 -2.887 -3.066 2.745 353 HD21 ASN 52 1HD2 ASN 52 -0.405 -3.662 0.140 354 HD22 ASN 52 2HD2 ASN 52 -1.641 -4.184 -0.970 355 H ALA 53 H ALA 53 0.350 -1.361 2.070 356 HA ALA 53 HA ALA 53 0.944 -0.543 -0.670 357 HB1 ALA 53 1HB ALA 53 2.352 0.676 1.732 358 HB2 ALA 53 2HB ALA 53 2.653 1.023 0.025 359 HB3 ALA 53 3HB ALA 53 1.122 1.527 0.758 360 H SER 54 H SER 54 3.216 -1.013 -1.149 361 HA SER 54 HA SER 54 4.883 -2.228 0.814 362 HB2 SER 54 1HB SER 54 5.404 -4.313 -0.555 363 HB3 SER 54 2HB SER 54 3.895 -4.301 0.360 364 HG SER 54 HG SER 54 3.273 -5.054 -1.508 365 H GLY 55 H GLY 55 7.067 -2.109 0.180 366 HA2 GLY 55 1HA GLY 55 8.347 -1.566 -2.153 367 HA3 GLY 55 2HA GLY 55 7.603 -0.007 -1.752 368 H ASP 56 H ASP 56 9.364 1.174 -1.028 369 HA ASP 56 HA ASP 56 11.707 0.126 0.126 370 HB2 ASP 56 1HB ASP 56 10.605 2.793 -0.392 371 HB3 ASP 56 2HB ASP 56 11.532 2.751 1.095 372 H SER 57 H SER 57 12.361 -0.371 2.155 373 HA SER 57 HA SER 57 10.402 -1.125 3.995 374 HB2 SER 57 1HB SER 57 13.433 -0.973 4.233 375 HB3 SER 57 2HB SER 57 12.362 -1.990 5.224 376 HG SER 57 HG SER 57 13.396 -2.954 3.252 377 H TRP 58 H TRP 58 11.292 2.006 3.712 378 HA TRP 58 HA TRP 58 11.106 2.649 6.613 379 HB2 TRP 58 1HB TRP 58 12.391 4.711 5.968 380 HB3 TRP 58 2HB TRP 58 13.285 3.220 5.888 381 HD1 TRP 58 HD TRP 58 13.840 2.246 3.395 382 HE1 TRP 58 1HE TRP 58 14.103 3.365 1.138 383 HE3 TRP 58 3HE TRP 58 11.569 6.687 4.479 384 HZ2 TRP 58 2HZ TRP 58 13.373 5.923 -0.100 385 HZ3 TRP 58 3HZ TRP 58 11.376 8.453 2.770 386 HH2 TRP 58 HH TRP 58 12.302 8.110 0.491 387 H ILE 59 H ILE 59 9.039 2.311 4.221 388 HA ILE 59 HA ILE 59 7.624 4.882 4.682 389 HB ILE 59 HB ILE 59 7.733 3.342 2.071 390 HG12 ILE 59 1HG1 ILE 59 9.000 6.044 2.659 391 HG13 ILE 59 2HG1 ILE 59 9.881 4.525 2.538 392 HG21 ILE 59 1HG2 ILE 59 6.427 6.023 2.772 393 HG22 ILE 59 2HG2 ILE 59 6.386 5.243 1.179 394 HG23 ILE 59 3HG2 ILE 59 5.559 4.501 2.535 395 HD11 ILE 59 3HD1 ILE 59 8.298 5.760 0.266 396 HD12 ILE 59 1HD1 ILE 59 10.052 5.743 0.510 397 HD13 ILE 59 2HD1 ILE 59 9.168 4.226 0.227 398 H HIS 60 H HIS 60 6.075 4.201 6.050 399 HA HIS 60 HA HIS 60 4.909 1.473 5.745 400 HB2 HIS 60 1HB HIS 60 4.619 3.501 7.980 401 HB3 HIS 60 2HB HIS 60 3.957 1.866 7.971 402 HD1 HIS 60 1HD HIS 60 5.649 -0.113 8.549 403 HD2 HIS 60 2HD HIS 60 7.326 3.748 8.240 404 HE1 HIS 60 1HE HIS 60 8.046 -0.289 9.462 405 H VAL 61 H VAL 61 2.689 1.256 5.273 406 HA VAL 61 HA VAL 61 1.054 3.712 5.405 407 HB VAL 61 HB VAL 61 0.878 1.755 3.096 408 HG11 VAL 61 1HG1 VAL 61 -0.575 4.377 3.612 409 HG12 VAL 61 2HG1 VAL 61 -0.656 3.438 2.107 410 HG13 VAL 61 3HG1 VAL 61 -1.286 2.748 3.604 411 HG21 VAL 61 3HG2 VAL 61 2.896 3.120 2.753 412 HG22 VAL 61 1HG2 VAL 61 1.639 3.701 1.662 413 HG23 VAL 61 2HG2 VAL 61 2.000 4.601 3.150 414 H ASN 62 H ASN 62 -0.998 3.303 6.115 415 HA ASN 62 HA ASN 62 -1.802 0.561 6.831 416 HB2 ASN 62 1HB ASN 62 -1.247 2.823 8.693 417 HB3 ASN 62 2HB ASN 62 -2.869 2.195 8.856 418 HD21 ASN 62 1HD2 ASN 62 0.603 1.185 8.811 419 HD22 ASN 62 2HD2 ASN 62 0.363 -0.325 9.657 420 H GLY 63 H GLY 63 -4.310 0.685 7.278 421 HA2 GLY 63 1HA GLY 63 -5.461 1.053 4.910 422 HA3 GLY 63 2HA GLY 63 -6.353 0.987 6.421 423 H SER 64 H SER 64 -4.972 3.724 7.053 424 HA SER 64 HA SER 64 -5.986 5.472 4.944 425 HB2 SER 64 1HB SER 64 -7.082 6.896 6.933 426 HB3 SER 64 2HB SER 64 -7.944 5.693 5.987 427 HG SER 64 HG SER 64 -8.345 4.742 7.726 428 H SER 65 H SER 65 -3.347 4.718 6.705 429 HA SER 65 HA SER 65 -2.656 7.538 7.447 430 HB2 SER 65 1HB SER 65 -2.206 4.997 9.043 431 HB3 SER 65 2HB SER 65 -1.665 6.611 9.506 432 HG SER 65 HG SER 65 -3.580 6.228 10.552 433 H VAL 66 H VAL 66 -0.337 8.060 7.411 434 HA VAL 66 HA VAL 66 1.247 6.252 5.661 435 HB VAL 66 HB VAL 66 1.411 9.293 5.873 436 HG11 VAL 66 1HG1 VAL 66 2.331 7.306 3.747 437 HG12 VAL 66 2HG1 VAL 66 2.401 9.082 3.586 438 HG13 VAL 66 3HG1 VAL 66 3.361 8.284 4.815 439 HG21 VAL 66 3HG2 VAL 66 -0.257 7.709 3.892 440 HG22 VAL 66 1HG2 VAL 66 -0.869 8.857 5.104 441 HG23 VAL 66 2HG2 VAL 66 0.106 9.455 3.777 442 H SER 67 H SER 67 3.577 6.224 6.109 443 HA SER 67 HA SER 67 4.590 8.243 7.856 444 HB2 SER 67 1HB SER 67 4.884 7.004 9.689 445 HB3 SER 67 2HB SER 67 4.278 5.541 8.862 446 HG SER 67 HG SER 67 6.877 6.247 9.399 447 H TYR 68 H TYR 68 6.715 8.734 7.277 448 HA TYR 68 HA TYR 68 8.207 6.542 6.335 449 HB2 TYR 68 1HB TYR 68 9.433 7.874 4.551 450 HB3 TYR 68 2HB TYR 68 7.852 7.239 4.134 451 HD1 TYR 68 2HD TYR 68 9.704 10.365 4.968 452 HD2 TYR 68 1HD TYR 68 6.028 8.623 3.532 453 HE1 TYR 68 2HE TYR 68 8.957 12.592 4.196 454 HE2 TYR 68 1HE TYR 68 5.295 10.822 2.691 455 HH TYR 68 HH TYR 68 5.768 13.144 2.645 456 H ASP 69 H ASP 69 10.371 6.834 6.809 457 HA ASP 69 HA ASP 69 11.005 9.179 8.568 458 HB2 ASP 69 1HB ASP 69 11.951 6.326 8.491 459 HB3 ASP 69 2HB ASP 69 13.152 7.556 8.892 460 H GLU 70 H GLU 70 13.538 9.681 8.287 461 HA GLU 70 HA GLU 70 13.810 10.396 5.432 462 HB2 GLU 70 1HB GLU 70 14.115 12.040 7.414 463 HB3 GLU 70 2HB GLU 70 15.715 11.290 7.549 464 HG2 GLU 70 1HG GLU 70 16.238 11.944 5.224 465 HG3 GLU 70 2HG GLU 70 14.556 12.431 4.966 466 H ASN 71 H ASN 71 16.174 10.290 4.674 467 HA ASN 71 HA ASN 71 17.031 7.499 4.742 468 HB2 ASN 71 1HB ASN 71 18.332 8.006 2.859 469 HB3 ASN 71 2HB ASN 71 16.919 9.008 2.650 470 HD21 ASN 71 1HD2 ASN 71 19.252 9.683 1.167 471 HD22 ASN 71 2HD2 ASN 71 19.918 11.095 1.926 472 HA PRO 72 HA PRO 72 20.160 8.174 7.762 473 HB2 PRO 72 1HB PRO 72 21.855 6.133 7.357 474 HB3 PRO 72 2HB PRO 72 20.113 5.817 7.599 475 HG2 PRO 72 1HG PRO 72 21.626 6.079 4.960 476 HG3 PRO 72 2HG PRO 72 20.552 4.739 5.468 477 HD2 PRO 72 1HD PRO 72 19.657 6.769 3.950 478 HD3 PRO 72 2HD PRO 72 18.627 5.985 5.188 479 H ALA 73 H ALA 73 21.057 9.069 4.629 480 HA ALA 73 HA ALA 73 23.778 9.911 5.467 481 HB1 ALA 73 1HB ALA 73 24.074 7.709 4.366 482 HB2 ALA 73 2HB ALA 73 23.231 8.331 2.919 483 HB3 ALA 73 3HB ALA 73 24.781 9.024 3.413 484 H LYS 74 H LYS 74 24.810 11.370 3.650 485 HA LYS 74 HA LYS 74 22.797 13.429 3.151 486 HB2 LYS 74 1HB LYS 74 24.622 14.915 2.793 487 HB3 LYS 74 2HB LYS 74 24.648 14.146 4.366 488 HG2 LYS 74 1HG LYS 74 26.675 13.279 4.059 489 HG3 LYS 74 2HG LYS 74 26.246 12.584 2.503 490 HD2 LYS 74 1HD LYS 74 27.200 14.257 1.311 491 HD3 LYS 74 2HD LYS 74 26.625 15.534 2.370 492 HE2 LYS 74 1HE LYS 74 28.888 13.681 3.164 493 HE3 LYS 74 2HE LYS 74 29.141 15.210 2.292 494 HZ1 LYS 74 3HZ LYS 74 28.216 16.421 4.090 495 HZ2 LYS 74 1HZ LYS 74 29.301 15.355 4.768 496 HZ3 LYS 74 2HZ LYS 74 27.694 15.095 4.855 497 H GLU 75 H GLU 75 22.578 11.142 1.522 498 HA GLU 75 HA GLU 75 23.464 12.102 -1.135 499 HB2 GLU 75 1HB GLU 75 22.923 9.266 -0.211 500 HB3 GLU 75 2HB GLU 75 23.122 9.765 -1.902 501 HG2 GLU 75 1HG GLU 75 25.376 10.748 -1.264 502 HG3 GLU 75 2HG GLU 75 25.212 9.921 0.291 503 H ARG 76 H ARG 76 21.705 10.945 -2.758 504 HA ARG 76 HA ARG 76 19.065 12.036 -1.873 505 HB2 ARG 76 1HB ARG 76 19.898 13.462 -3.466 506 HB3 ARG 76 2HB ARG 76 20.435 12.178 -4.574 507 HG2 ARG 76 1HG ARG 76 18.138 11.669 -5.146 508 HG3 ARG 76 2HG ARG 76 17.550 12.633 -3.789 509 HD2 ARG 76 1HD ARG 76 17.132 13.793 -5.867 510 HD3 ARG 76 2HD ARG 76 18.265 14.692 -4.854 511 HE ARG 76 HE ARG 76 19.702 12.990 -6.682 512 HH11 ARG 76 1HH1 ARG 76 17.879 16.044 -6.620 513 HH12 ARG 76 2HH1 ARG 76 18.623 16.624 -8.087 514 HH21 ARG 76 1HH2 ARG 76 20.739 13.807 -8.414 515 HH22 ARG 76 2HH2 ARG 76 20.457 15.412 -9.028 516 H ARG 77 H ARG 77 17.418 10.809 -1.810 517 HA ARG 77 HA ARG 77 16.986 8.614 -3.679 518 HB2 ARG 77 1HB ARG 77 18.131 8.041 -0.997 519 HB3 ARG 77 2HB ARG 77 16.629 7.193 -1.261 520 HG2 ARG 77 1HG ARG 77 19.012 6.997 -3.141 521 HG3 ARG 77 2HG ARG 77 18.577 5.875 -1.848 522 HD2 ARG 77 1HD ARG 77 16.247 5.753 -3.048 523 HD3 ARG 77 2HD ARG 77 17.078 6.478 -4.437 524 HE ARG 77 HE ARG 77 18.688 4.353 -3.767 525 HH11 ARG 77 1HH1 ARG 77 15.411 4.745 -5.083 526 HH12 ARG 77 2HH1 ARG 77 15.140 3.038 -5.262 527 HH21 ARG 77 1HH2 ARG 77 18.204 2.026 -3.908 528 HH22 ARG 77 2HH2 ARG 77 16.726 1.555 -4.702 529 H THR 78 H THR 78 15.070 9.531 -4.252 530 HA THR 78 HA THR 78 12.977 9.699 -2.300 531 HB THR 78 HB THR 78 12.815 10.701 -4.536 532 HG1 THR 78 1HG THR 78 10.805 8.711 -4.167 533 HG21 THR 78 3HG2 THR 78 13.813 8.899 -5.925 534 HG22 THR 78 1HG2 THR 78 12.218 9.410 -6.508 535 HG23 THR 78 2HG2 THR 78 12.380 7.891 -5.601 536 H GLY 79 H GLY 79 11.498 8.075 -1.760 537 HA2 GLY 79 1HA GLY 79 12.144 5.268 -2.481 538 HA3 GLY 79 2HA GLY 79 10.979 5.771 -1.269 539 H LEU 80 H LEU 80 9.920 4.092 -3.028 540 HA LEU 80 HA LEU 80 7.889 5.721 -4.288 541 HB2 LEU 80 1HB LEU 80 9.683 5.651 -6.084 542 HB3 LEU 80 2HB LEU 80 9.580 3.886 -6.013 543 HG LEU 80 HG LEU 80 6.921 4.486 -6.424 544 HD11 LEU 80 1HD1 LEU 80 8.502 6.667 -7.842 545 HD12 LEU 80 2HD1 LEU 80 7.319 6.885 -6.530 546 HD13 LEU 80 3HD1 LEU 80 6.792 6.281 -8.115 547 HD21 LEU 80 3HD2 LEU 80 9.013 4.284 -8.612 548 HD22 LEU 80 1HD2 LEU 80 7.272 3.872 -8.721 549 HD23 LEU 80 2HD2 LEU 80 8.343 2.912 -7.708 550 H VAL 81 H VAL 81 6.631 4.383 -2.676 551 HA VAL 81 HA VAL 81 6.773 1.503 -3.073 552 HB VAL 81 HB VAL 81 5.283 1.240 -1.236 553 HG11 VAL 81 1HG1 VAL 81 6.990 3.623 -0.480 554 HG12 VAL 81 2HG1 VAL 81 6.506 2.236 0.517 555 HG13 VAL 81 3HG1 VAL 81 7.667 2.029 -0.797 556 HG21 VAL 81 3HG2 VAL 81 4.724 4.215 -1.363 557 HG22 VAL 81 1HG2 VAL 81 3.574 2.873 -1.642 558 HG23 VAL 81 2HG2 VAL 81 4.257 3.128 -0.030 559 H THR 82 H THR 82 4.606 0.240 -3.253 560 HA THR 82 HA THR 82 2.855 1.367 -5.387 561 HB THR 82 HB THR 82 3.957 -1.427 -4.869 562 HG1 THR 82 1HG THR 82 4.257 -0.774 -7.342 563 HG21 THR 82 3HG2 THR 82 2.696 -2.194 -6.856 564 HG22 THR 82 1HG2 THR 82 1.839 -0.638 -6.908 565 HG23 THR 82 2HG2 THR 82 1.636 -1.749 -5.535 566 H LEU 83 H LEU 83 0.574 0.724 -5.119 567 HA LEU 83 HA LEU 83 -0.194 -0.290 -2.441 568 HB2 LEU 83 1HB LEU 83 -1.206 2.262 -3.800 569 HB3 LEU 83 2HB LEU 83 -1.911 1.497 -2.383 570 HG LEU 83 HG LEU 83 0.586 1.706 -1.478 571 HD11 LEU 83 1HD1 LEU 83 1.566 3.891 -1.917 572 HD12 LEU 83 2HD1 LEU 83 0.369 4.215 -3.155 573 HD13 LEU 83 3HD1 LEU 83 1.556 2.923 -3.388 574 HD21 LEU 83 3HD2 LEU 83 -1.498 3.899 -1.397 575 HD22 LEU 83 1HD2 LEU 83 -0.123 3.740 -0.272 576 HD23 LEU 83 2HD2 LEU 83 -1.362 2.487 -0.311 577 H LYS 84 H LYS 84 -2.493 -0.995 -2.335 578 HA LYS 84 HA LYS 84 -4.047 -1.173 -4.853 579 HB2 LYS 84 1HB LYS 84 -2.717 -3.439 -4.405 580 HB3 LYS 84 2HB LYS 84 -3.944 -3.652 -3.139 581 HG2 LYS 84 1HG LYS 84 -5.664 -2.998 -4.975 582 HG3 LYS 84 2HG LYS 84 -4.368 -3.188 -6.132 583 HD2 LYS 84 1HD LYS 84 -4.229 -5.588 -5.619 584 HD3 LYS 84 2HD LYS 84 -5.357 -5.370 -4.236 585 HE2 LYS 84 1HE LYS 84 -7.031 -4.426 -5.819 586 HE3 LYS 84 2HE LYS 84 -5.976 -4.849 -7.181 587 HZ1 LYS 84 3HZ LYS 84 -7.910 -6.379 -6.153 588 HZ2 LYS 84 1HZ LYS 84 -6.667 -6.998 -5.317 589 HZ3 LYS 84 2HZ LYS 84 -6.667 -7.020 -6.985 590 H GLN 85 H GLN 85 -6.204 -1.175 -4.412 591 HA GLN 85 HA GLN 85 -7.201 -0.483 -1.718 592 HB2 GLN 85 1HB GLN 85 -7.810 0.423 -4.270 593 HB3 GLN 85 2HB GLN 85 -8.985 -0.861 -4.107 594 HG2 GLN 85 1HG GLN 85 -10.145 0.252 -2.372 595 HG3 GLN 85 2HG GLN 85 -8.742 1.257 -1.956 596 HE21 GLN 85 1HE2 GLN 85 -11.786 1.561 -3.479 597 HE22 GLN 85 2HE2 GLN 85 -11.372 2.895 -4.507 598 H ASP 86 H ASP 86 -9.010 -1.882 -0.938 599 HA ASP 86 HA ASP 86 -8.608 -4.663 -1.185 600 HB2 ASP 86 1HB ASP 86 -9.654 -3.610 0.745 601 HB3 ASP 86 2HB ASP 86 -11.063 -3.168 -0.237 602 H GLU 87 H GLU 87 -11.909 -3.625 -1.996 603 HA GLU 87 HA GLU 87 -12.053 -5.668 -3.997 604 HB2 GLU 87 1HB GLU 87 -13.982 -3.386 -3.615 605 HB3 GLU 87 2HB GLU 87 -14.298 -4.967 -4.337 606 HG2 GLU 87 1HG GLU 87 -14.074 -6.010 -2.122 607 HG3 GLU 87 2HG GLU 87 -13.808 -4.397 -1.414 608 H SER 88 H SER 88 -11.044 -2.443 -4.197 609 HA SER 88 HA SER 88 -11.467 -2.257 -7.144 610 HB2 SER 88 1HB SER 88 -12.029 -0.338 -5.331 611 HB3 SER 88 2HB SER 88 -10.330 0.041 -5.607 612 HG SER 88 HG SER 88 -12.369 -0.140 -7.626 613 H GLY 89 H GLY 89 -8.910 -0.639 -7.562 614 HA2 GLY 89 1HA GLY 89 -6.775 -2.400 -6.774 615 HA3 GLY 89 2HA GLY 89 -7.350 -2.657 -8.424 616 H LYS 90 H LYS 90 -7.473 0.680 -6.854 617 HA LYS 90 HA LYS 90 -6.026 2.077 -8.574 618 HB2 LYS 90 1HB LYS 90 -7.655 2.943 -6.937 619 HB3 LYS 90 2HB LYS 90 -6.776 2.007 -5.683 620 HG2 LYS 90 1HG LYS 90 -5.236 3.488 -5.290 621 HG3 LYS 90 2HG LYS 90 -5.121 3.784 -7.023 622 HD2 LYS 90 1HD LYS 90 -5.659 5.823 -5.721 623 HD3 LYS 90 2HD LYS 90 -6.765 5.426 -6.992 624 HE2 LYS 90 1HE LYS 90 -7.854 6.334 -4.957 625 HE3 LYS 90 2HE LYS 90 -8.437 4.725 -5.394 626 HZ1 LYS 90 3HZ LYS 90 -7.996 5.260 -3.031 627 HZ2 LYS 90 1HZ LYS 90 -6.391 4.914 -3.319 628 HZ3 LYS 90 2HZ LYS 90 -7.567 3.803 -3.610 629 H THR 91 H THR 91 -4.110 2.332 -8.600 630 HA THR 91 HA THR 91 -2.090 1.277 -6.711 631 HB THR 91 HB THR 91 -0.521 0.700 -8.464 632 HG1 THR 91 1HG THR 91 -0.831 1.719 -10.252 633 HG21 THR 91 3HG2 THR 91 -3.109 -0.649 -9.309 634 HG22 THR 91 1HG2 THR 91 -2.402 -0.986 -7.725 635 HG23 THR 91 2HG2 THR 91 -1.481 -1.342 -9.217 636 H LEU 92 H LEU 92 -0.443 2.838 -6.249 637 HA LEU 92 HA LEU 92 -0.664 5.483 -7.504 638 HB2 LEU 92 1HB LEU 92 -1.058 4.882 -4.543 639 HB3 LEU 92 2HB LEU 92 -0.770 6.479 -5.200 640 HG LEU 92 HG LEU 92 -3.222 4.760 -5.779 641 HD11 LEU 92 1HD1 LEU 92 -3.087 5.332 -3.436 642 HD12 LEU 92 2HD1 LEU 92 -4.332 6.349 -4.173 643 HD13 LEU 92 3HD1 LEU 92 -2.760 7.030 -3.824 644 HD21 LEU 92 3HD2 LEU 92 -2.490 7.598 -6.506 645 HD22 LEU 92 1HD2 LEU 92 -4.170 7.086 -6.526 646 HD23 LEU 92 2HD2 LEU 92 -3.001 6.313 -7.597 647 H SER 93 H SER 93 1.309 6.608 -7.096 648 HA SER 93 HA SER 93 3.474 5.084 -5.758 649 HB2 SER 93 1HB SER 93 3.641 7.547 -7.536 650 HB3 SER 93 2HB SER 93 4.987 6.632 -6.856 651 HG SER 93 HG SER 93 4.140 4.781 -8.071 652 H LEU 94 H LEU 94 4.831 6.278 -4.345 653 HA LEU 94 HA LEU 94 3.777 8.778 -3.172 654 HB2 LEU 94 1HB LEU 94 3.206 6.475 -1.924 655 HB3 LEU 94 2HB LEU 94 4.881 6.570 -1.394 656 HG LEU 94 HG LEU 94 2.653 8.593 -0.920 657 HD11 LEU 94 1HD1 LEU 94 4.243 6.874 1.040 658 HD12 LEU 94 2HD1 LEU 94 2.629 6.469 0.429 659 HD13 LEU 94 3HD1 LEU 94 2.868 7.932 1.413 660 HD21 LEU 94 3HD2 LEU 94 5.555 8.736 -0.017 661 HD22 LEU 94 1HD2 LEU 94 4.259 9.807 0.536 662 HD23 LEU 94 2HD2 LEU 94 4.759 9.835 -1.160 663 H LYS 95 H LYS 95 5.452 9.932 -4.221 664 HA LYS 95 HA LYS 95 8.241 8.928 -3.982 665 HB2 LYS 95 1HB LYS 95 6.992 11.183 -5.574 666 HB3 LYS 95 2HB LYS 95 8.716 11.152 -5.201 667 HG2 LYS 95 1HG LYS 95 8.774 8.858 -6.298 668 HG3 LYS 95 2HG LYS 95 7.141 9.226 -6.917 669 HD2 LYS 95 1HD LYS 95 8.126 11.372 -7.887 670 HD3 LYS 95 2HD LYS 95 9.727 10.782 -7.388 671 HE2 LYS 95 1HE LYS 95 9.213 8.671 -8.788 672 HE3 LYS 95 2HE LYS 95 7.807 9.556 -9.411 673 HZ1 LYS 95 3HZ LYS 95 9.506 9.949 -10.924 674 HZ2 LYS 95 1HZ LYS 95 10.655 10.224 -9.760 675 HZ3 LYS 95 2HZ LYS 95 9.478 11.324 -10.039 676 H ILE 96 H ILE 96 9.673 10.068 -2.865 677 HA ILE 96 HA ILE 96 8.810 12.269 -1.013 678 HB ILE 96 HB ILE 96 10.298 9.704 -0.260 679 HG12 ILE 96 1HG1 ILE 96 7.673 10.512 1.012 680 HG13 ILE 96 2HG1 ILE 96 7.635 9.663 -0.518 681 HG21 ILE 96 1HG2 ILE 96 10.205 10.601 2.074 682 HG22 ILE 96 2HG2 ILE 96 11.103 11.678 1.022 683 HG23 ILE 96 3HG2 ILE 96 9.446 12.088 1.473 684 HD11 ILE 96 3HD1 ILE 96 8.986 7.864 0.309 685 HD12 ILE 96 1HD1 ILE 96 9.067 8.598 1.918 686 HD13 ILE 96 2HD1 ILE 96 7.504 8.046 1.273 687 H VAL 97 H VAL 97 10.068 13.706 -2.520 688 HA VAL 97 HA VAL 97 12.783 12.705 -3.161 689 HB VAL 97 HB VAL 97 11.325 15.135 -4.210 690 HG11 VAL 97 1HG1 VAL 97 13.762 15.277 -4.453 691 HG12 VAL 97 2HG1 VAL 97 13.816 13.645 -5.141 692 HG13 VAL 97 3HG1 VAL 97 13.043 14.986 -6.035 693 HG21 VAL 97 3HG2 VAL 97 10.975 13.801 -6.291 694 HG22 VAL 97 1HG2 VAL 97 11.558 12.357 -5.428 695 HG23 VAL 97 2HG2 VAL 97 10.068 13.180 -4.917 696 H GLN 98 H GLN 98 13.982 12.974 -1.278 697 HA GLN 98 HA GLN 98 13.617 15.535 0.213 698 HB2 GLN 98 1HB GLN 98 13.915 14.225 2.251 699 HB3 GLN 98 2HB GLN 98 12.559 13.678 1.277 700 HG2 GLN 98 1HG GLN 98 13.963 11.745 0.487 701 HG3 GLN 98 2HG GLN 98 15.208 12.260 1.638 702 HE21 GLN 98 1HE2 GLN 98 14.361 9.728 2.104 703 HE22 GLN 98 2HE2 GLN 98 13.195 9.709 3.426 704 HA PRO 99 HA PRO 99 18.154 15.988 0.178 705 HB2 PRO 99 1HB PRO 99 18.696 16.975 2.647 706 HB3 PRO 99 2HB PRO 99 17.891 17.963 1.391 707 HG2 PRO 99 1HG PRO 99 16.578 16.334 3.591 708 HG3 PRO 99 2HG PRO 99 16.351 18.067 3.226 709 HD2 PRO 99 1HD PRO 99 14.614 16.259 2.219 710 HD3 PRO 99 2HD PRO 99 15.214 17.557 1.157 711 H GLY 100 H GLY 100 20.032 15.203 1.508 712 HA2 GLY 100 1HA GLY 100 19.435 12.698 2.876 713 HA3 GLY 100 2HA GLY 100 20.979 13.267 2.226 714 H LYS 101 H LYS 101 20.603 12.377 4.937 715 HA LYS 101 HA LYS 101 21.123 14.849 6.508 716 HB2 LYS 101 1HB LYS 101 18.766 14.482 6.632 717 HB3 LYS 101 2HB LYS 101 18.944 12.754 6.857 718 HG2 LYS 101 1HG LYS 101 20.202 14.460 8.969 719 HG3 LYS 101 2HG LYS 101 18.463 14.607 8.839 720 HD2 LYS 101 1HD LYS 101 19.922 11.946 9.134 721 HD3 LYS 101 2HD LYS 101 19.232 12.862 10.473 722 HE2 LYS 101 1HE LYS 101 17.645 11.712 8.114 723 HE3 LYS 101 2HE LYS 101 17.748 11.014 9.733 724 HZ1 LYS 101 3HZ LYS 101 16.476 13.551 8.953 725 HZ2 LYS 101 1HZ LYS 101 16.766 13.124 10.561 726 HZ3 LYS 101 2HZ LYS 101 15.787 12.229 9.635 727 H THR 102 H THR 102 22.409 14.419 8.430 728 HA THR 102 HA THR 102 23.332 11.725 9.023 729 HB THR 102 HB THR 102 25.717 12.686 8.973 730 HG1 THR 102 1HG THR 102 24.990 14.777 8.380 731 HG21 THR 102 3HG2 THR 102 24.958 10.855 7.426 732 HG22 THR 102 1HG2 THR 102 26.218 11.895 6.727 733 HG23 THR 102 2HG2 THR 102 24.526 12.102 6.230 734 H SER 103 H SER 103 22.277 12.216 11.049 735 HA SER 103 HA SER 103 23.747 14.232 12.639 736 HB2 SER 103 1HB SER 103 21.647 15.256 11.645 737 HB3 SER 103 2HB SER 103 20.700 14.137 12.643 738 HG SER 103 HG SER 103 22.552 16.162 13.441 739 H ILE 104 H ILE 104 22.193 14.035 14.921 740 HA ILE 104 HA ILE 104 22.615 11.264 15.936 741 HB ILE 104 HB ILE 104 22.340 13.953 17.364 742 HG12 ILE 104 1HG1 ILE 104 24.493 13.961 16.330 743 HG13 ILE 104 2HG1 ILE 104 24.717 13.647 18.035 744 HG21 ILE 104 1HG2 ILE 104 21.482 12.133 18.756 745 HG22 ILE 104 2HG2 ILE 104 22.987 11.230 18.544 746 HG23 ILE 104 3HG2 ILE 104 22.980 12.781 19.408 747 HD11 ILE 104 3HD1 ILE 104 26.226 12.258 16.728 748 HD12 ILE 104 1HD1 ILE 104 25.047 11.203 17.515 749 HD13 ILE 104 2HD1 ILE 104 24.894 11.583 15.788 750 H ASP 105 H ASP 105 20.713 10.783 14.536 751 HA ASP 105 HA ASP 105 18.255 12.354 15.050 752 HB2 ASP 105 1HB ASP 105 19.420 12.310 12.814 753 HB3 ASP 105 2HB ASP 105 19.051 10.600 12.692
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