NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
461387 | 2dm7 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 14.375 35.371 11.546 2 HA2 GLY 1 1HA GLY 1 16.005 35.063 9.859 3 HA3 GLY 1 2HA GLY 1 14.966 33.657 9.677 4 H SER 2 H SER 2 15.171 33.374 7.500 5 HA SER 2 HA SER 2 14.293 35.608 5.790 6 HB2 SER 2 1HB SER 2 15.548 34.512 3.964 7 HB3 SER 2 2HB SER 2 16.594 34.917 5.325 8 HG SER 2 HG SER 2 17.015 32.812 4.631 9 H SER 3 H SER 3 12.289 35.391 5.076 10 HA SER 3 HA SER 3 11.348 32.718 4.292 11 HB2 SER 3 1HB SER 3 9.848 34.766 5.934 12 HB3 SER 3 2HB SER 3 9.071 33.385 5.159 13 HG SER 3 HG SER 3 9.596 32.851 7.276 14 H GLY 4 H GLY 4 10.731 36.215 4.083 15 HA2 GLY 4 1HA GLY 4 9.077 36.023 1.772 16 HA3 GLY 4 2HA GLY 4 9.811 37.490 2.402 17 H SER 5 H SER 5 10.593 34.541 0.580 18 HA SER 5 HA SER 5 11.905 36.011 -1.472 19 HB2 SER 5 1HB SER 5 13.643 36.074 0.334 20 HB3 SER 5 2HB SER 5 13.705 34.313 0.270 21 HG SER 5 HG SER 5 15.020 34.531 -1.339 22 H SER 6 H SER 6 11.478 34.906 -3.253 23 HA SER 6 HA SER 6 10.281 32.457 -3.427 24 HB2 SER 6 1HB SER 6 11.025 32.389 -5.784 25 HB3 SER 6 2HB SER 6 10.439 33.989 -5.328 26 HG SER 6 HG SER 6 12.351 34.770 -5.701 27 H GLY 7 H GLY 7 11.007 30.352 -4.065 28 HA2 GLY 7 1HA GLY 7 13.588 29.453 -4.352 29 HA3 GLY 7 2HA GLY 7 13.324 29.507 -2.615 30 HA PRO 8 HA PRO 8 11.506 25.616 -4.745 31 HB2 PRO 8 1HB PRO 8 13.546 23.871 -4.343 32 HB3 PRO 8 2HB PRO 8 13.387 24.841 -5.812 33 HG2 PRO 8 1HG PRO 8 15.106 25.314 -3.408 34 HG3 PRO 8 2HG PRO 8 15.510 25.493 -5.125 35 HD2 PRO 8 1HD PRO 8 14.884 27.603 -3.548 36 HD3 PRO 8 2HD PRO 8 14.493 27.555 -5.279 37 H ALA 9 H ALA 9 10.759 23.768 -3.596 38 HA ALA 9 HA ALA 9 10.794 24.136 -0.708 39 HB1 ALA 9 1HB ALA 9 8.635 23.700 -1.116 40 HB2 ALA 9 2HB ALA 9 8.982 22.907 -2.653 41 HB3 ALA 9 3HB ALA 9 9.146 22.012 -1.142 42 H ARG 10 H ARG 10 11.745 22.796 0.721 43 HA ARG 10 HA ARG 10 13.049 20.376 -0.342 44 HB2 ARG 10 1HB ARG 10 14.877 20.737 1.226 45 HB3 ARG 10 2HB ARG 10 14.682 22.139 0.183 46 HG2 ARG 10 1HG ARG 10 13.536 23.332 1.957 47 HG3 ARG 10 2HG ARG 10 13.650 21.916 3.003 48 HD2 ARG 10 1HD ARG 10 16.085 22.059 2.945 49 HD3 ARG 10 2HD ARG 10 15.985 23.451 1.868 50 HE ARG 10 HE ARG 10 14.520 24.006 4.191 51 HH11 ARG 10 2HH1 ARG 10 17.812 23.523 3.167 52 HH12 ARG 10 1HH1 ARG 10 18.482 24.540 4.400 53 HH21 ARG 10 2HH2 ARG 10 15.390 25.347 5.818 54 HH22 ARG 10 1HH2 ARG 10 17.103 25.577 5.907 55 H PHE 11 H PHE 11 12.972 18.524 0.883 56 HA PHE 11 HA PHE 11 10.769 18.108 2.534 57 HB2 PHE 11 1HB PHE 11 13.312 16.551 2.117 58 HB3 PHE 11 2HB PHE 11 12.068 15.996 3.233 59 HD1 PHE 11 2HD PHE 11 12.935 16.554 -0.272 60 HD2 PHE 11 1HD PHE 11 9.941 15.188 2.428 61 HE1 PHE 11 2HE PHE 11 11.728 15.508 -2.144 62 HE2 PHE 11 1HE PHE 11 8.730 14.140 0.560 63 HZ PHE 11 HZ PHE 11 9.623 14.300 -1.729 64 H THR 12 H THR 12 10.501 17.903 4.748 65 HA THR 12 HA THR 12 12.657 19.066 6.390 66 HB THR 12 HB THR 12 10.848 19.854 7.929 67 HG1 THR 12 1HG THR 12 8.732 19.770 7.231 68 HG21 THR 12 1HG2 THR 12 9.911 21.514 6.024 69 HG22 THR 12 2HG2 THR 12 11.315 20.851 5.188 70 HG23 THR 12 3HG2 THR 12 11.516 21.663 6.740 71 H GLN 13 H GLN 13 10.130 16.636 6.177 72 HA GLN 13 HA GLN 13 11.283 15.317 8.547 73 HB2 GLN 13 1HB GLN 13 8.463 15.714 7.691 74 HB3 GLN 13 2HB GLN 13 8.866 14.182 8.454 75 HG2 GLN 13 1HG GLN 13 9.279 16.923 9.625 76 HG3 GLN 13 2HG GLN 13 8.042 15.756 10.090 77 HE21 GLN 13 1HE2 GLN 13 8.866 13.642 10.873 78 HE22 GLN 13 2HE2 GLN 13 10.287 13.648 11.855 79 H ASP 14 H ASP 14 12.574 13.755 7.805 80 HA ASP 14 HA ASP 14 12.758 12.522 5.439 81 HB2 ASP 14 1HB ASP 14 13.410 10.400 6.749 82 HB3 ASP 14 2HB ASP 14 14.333 11.870 7.050 83 H LEU 15 H LEU 15 11.496 11.375 4.136 84 HA LEU 15 HA LEU 15 8.839 10.772 4.665 85 HB2 LEU 15 1HB LEU 15 9.329 10.840 2.423 86 HB3 LEU 15 2HB LEU 15 10.809 9.901 2.609 87 HG LEU 15 HG LEU 15 9.388 7.878 2.975 88 HD11 LEU 15 1HD1 LEU 15 7.075 9.227 1.735 89 HD12 LEU 15 2HD1 LEU 15 7.362 9.570 3.440 90 HD13 LEU 15 3HD1 LEU 15 7.132 7.906 2.903 91 HD21 LEU 15 1HD2 LEU 15 8.471 8.065 0.464 92 HD22 LEU 15 2HD2 LEU 15 10.170 7.799 0.855 93 HD23 LEU 15 3HD2 LEU 15 9.598 9.422 0.465 94 H LYS 16 H LYS 16 7.764 9.054 5.479 95 HA LYS 16 HA LYS 16 9.353 6.715 6.304 96 HB2 LYS 16 1HB LYS 16 8.898 8.011 8.285 97 HB3 LYS 16 2HB LYS 16 7.197 8.152 7.858 98 HG2 LYS 16 1HG LYS 16 7.437 6.531 9.605 99 HG3 LYS 16 2HG LYS 16 6.972 5.703 8.117 100 HD2 LYS 16 1HD LYS 16 9.564 5.433 7.824 101 HD3 LYS 16 2HD LYS 16 9.579 5.684 9.571 102 HE2 LYS 16 1HE LYS 16 7.662 3.867 9.488 103 HE3 LYS 16 2HE LYS 16 8.458 3.436 7.975 104 HZ1 LYS 16 1HZ LYS 16 9.947 3.710 10.519 105 HZ2 LYS 16 2HZ LYS 16 10.449 2.957 9.090 106 HZ3 LYS 16 3HZ LYS 16 9.242 2.248 10.040 107 H THR 17 H THR 17 8.104 4.733 6.576 108 HA THR 17 HA THR 17 5.610 4.693 5.014 109 HB THR 17 HB THR 17 7.235 3.864 3.483 110 HG1 THR 17 1HG THR 17 6.210 1.477 4.611 111 HG21 THR 17 1HG2 THR 17 8.272 1.566 4.840 112 HG22 THR 17 2HG2 THR 17 8.587 3.005 5.809 113 HG23 THR 17 3HG2 THR 17 9.146 2.926 4.138 114 H LYS 18 H LYS 18 4.605 2.369 5.237 115 HA LYS 18 HA LYS 18 4.787 1.566 8.066 116 HB2 LYS 18 1HB LYS 18 2.406 1.233 8.131 117 HB3 LYS 18 2HB LYS 18 2.721 2.864 7.550 118 HG2 LYS 18 1HG LYS 18 1.117 2.229 6.071 119 HG3 LYS 18 2HG LYS 18 2.552 1.689 5.196 120 HD2 LYS 18 1HD LYS 18 1.284 -0.207 5.058 121 HD3 LYS 18 2HD LYS 18 2.120 -0.525 6.580 122 HE2 LYS 18 1HE LYS 18 -0.145 -1.007 6.998 123 HE3 LYS 18 2HE LYS 18 0.137 0.574 7.724 124 HZ1 LYS 18 1HZ LYS 18 -1.906 0.654 6.538 125 HZ2 LYS 18 2HZ LYS 18 -1.207 0.005 5.141 126 HZ3 LYS 18 3HZ LYS 18 -0.782 1.560 5.654 127 H GLU 19 H GLU 19 3.869 -0.657 8.452 128 HA GLU 19 HA GLU 19 4.702 -2.430 6.256 129 HB2 GLU 19 1HB GLU 19 5.226 -4.092 7.932 130 HB3 GLU 19 2HB GLU 19 6.030 -2.583 8.341 131 HG2 GLU 19 1HG GLU 19 3.993 -2.151 9.847 132 HG3 GLU 19 2HG GLU 19 3.673 -3.874 9.654 133 H ALA 20 H ALA 20 3.017 -3.192 5.164 134 HA ALA 20 HA ALA 20 0.635 -4.037 6.683 135 HB1 ALA 20 1HB ALA 20 -0.634 -3.602 4.550 136 HB2 ALA 20 2HB ALA 20 -0.015 -2.171 5.376 137 HB3 ALA 20 3HB ALA 20 0.814 -2.793 3.949 138 H SER 21 H SER 21 -0.667 -5.726 5.474 139 HA SER 21 HA SER 21 1.168 -7.828 4.624 140 HB2 SER 21 1HB SER 21 -0.616 -9.368 5.064 141 HB3 SER 21 2HB SER 21 -0.588 -8.216 6.399 142 HG SER 21 HG SER 21 -2.209 -7.069 4.907 143 H GLU 22 H GLU 22 0.663 -9.179 2.777 144 HA GLU 22 HA GLU 22 0.402 -7.838 0.402 145 HB2 GLU 22 1HB GLU 22 0.040 -10.683 1.205 146 HB3 GLU 22 2HB GLU 22 -0.493 -10.213 -0.403 147 HG2 GLU 22 1HG GLU 22 1.851 -9.176 -0.639 148 HG3 GLU 22 2HG GLU 22 2.265 -10.181 0.749 149 H GLY 23 H GLY 23 -1.240 -7.374 -1.036 150 HA2 GLY 23 1HA GLY 23 -3.422 -7.188 -1.823 151 HA3 GLY 23 2HA GLY 23 -3.969 -8.143 -0.452 152 H ALA 24 H ALA 24 -2.548 -6.355 1.447 153 HA ALA 24 HA ALA 24 -4.693 -4.569 1.953 154 HB1 ALA 24 1HB ALA 24 -2.079 -4.087 3.256 155 HB2 ALA 24 2HB ALA 24 -3.697 -4.178 3.953 156 HB3 ALA 24 3HB ALA 24 -2.836 -5.657 3.525 157 H THR 25 H THR 25 -3.795 -2.186 2.674 158 HA THR 25 HA THR 25 -2.526 -1.064 0.261 159 HB THR 25 HB THR 25 -4.708 0.248 1.894 160 HG1 THR 25 1HG THR 25 -4.740 -1.367 -0.389 161 HG21 THR 25 1HG2 THR 25 -4.137 1.232 -0.801 162 HG22 THR 25 2HG2 THR 25 -2.797 1.441 0.327 163 HG23 THR 25 3HG2 THR 25 -4.380 2.122 0.701 164 H ALA 26 H ALA 26 -0.676 -0.064 0.670 165 HA ALA 26 HA ALA 26 0.123 0.538 3.370 166 HB1 ALA 26 1HB ALA 26 2.047 -0.032 2.392 167 HB2 ALA 26 2HB ALA 26 1.421 0.287 0.774 168 HB3 ALA 26 3HB ALA 26 2.063 1.610 1.747 169 H THR 27 H THR 27 1.101 2.672 3.912 170 HA THR 27 HA THR 27 -0.001 4.956 2.483 171 HB THR 27 HB THR 27 -0.627 4.467 5.402 172 HG1 THR 27 1HG THR 27 -2.730 4.234 4.697 173 HG21 THR 27 1HG2 THR 27 -0.222 6.890 4.176 174 HG22 THR 27 2HG2 THR 27 -1.208 6.625 5.615 175 HG23 THR 27 3HG2 THR 27 -1.964 6.670 4.022 176 H LEU 28 H LEU 28 1.805 6.083 2.139 177 HA LEU 28 HA LEU 28 3.785 6.300 4.296 178 HB2 LEU 28 1HB LEU 28 4.045 7.037 1.385 179 HB3 LEU 28 2HB LEU 28 5.335 7.053 2.585 180 HG LEU 28 HG LEU 28 4.643 4.481 2.764 181 HD11 LEU 28 1HD1 LEU 28 3.274 5.420 0.421 182 HD12 LEU 28 2HD1 LEU 28 3.245 3.825 1.173 183 HD13 LEU 28 3HD1 LEU 28 4.487 4.216 -0.016 184 HD21 LEU 28 1HD2 LEU 28 6.869 5.475 2.245 185 HD22 LEU 28 2HD2 LEU 28 6.392 5.537 0.548 186 HD23 LEU 28 3HD2 LEU 28 6.524 3.982 1.371 187 H GLN 29 H GLN 29 4.392 8.245 5.145 188 HA GLN 29 HA GLN 29 2.941 10.622 4.184 189 HB2 GLN 29 1HB GLN 29 3.494 9.754 7.021 190 HB3 GLN 29 2HB GLN 29 2.990 11.385 6.599 191 HG2 GLN 29 1HG GLN 29 0.934 10.477 5.612 192 HG3 GLN 29 2HG GLN 29 1.435 8.858 6.096 193 HE21 GLN 29 1HE2 GLN 29 -0.609 8.847 7.242 194 HE22 GLN 29 2HE2 GLN 29 -0.699 9.554 8.815 195 H CYS 30 H CYS 30 4.054 12.540 4.097 196 HA CYS 30 HA CYS 30 6.743 12.720 5.162 197 HB2 CYS 30 1HB CYS 30 7.834 13.148 3.064 198 HB3 CYS 30 2HB CYS 30 6.989 11.610 2.931 199 HG CYS 30 HG CYS 30 5.194 12.322 1.131 200 H GLU 31 H GLU 31 7.455 14.822 5.427 201 HA GLU 31 HA GLU 31 5.412 16.878 4.956 202 HB2 GLU 31 1HB GLU 31 6.512 16.279 7.289 203 HB3 GLU 31 2HB GLU 31 7.777 17.354 6.712 204 HG2 GLU 31 1HG GLU 31 6.387 19.202 6.701 205 HG3 GLU 31 2HG GLU 31 4.921 18.224 6.654 206 H LEU 32 H LEU 32 6.337 19.132 4.616 207 HA LEU 32 HA LEU 32 8.823 19.152 3.088 208 HB2 LEU 32 1HB LEU 32 6.144 19.987 1.998 209 HB3 LEU 32 2HB LEU 32 7.680 20.455 1.270 210 HG LEU 32 HG LEU 32 6.825 17.588 1.621 211 HD11 LEU 32 1HD1 LEU 32 6.728 18.324 -1.087 212 HD12 LEU 32 2HD1 LEU 32 5.817 19.549 -0.205 213 HD13 LEU 32 3HD1 LEU 32 5.387 17.846 -0.045 214 HD21 LEU 32 1HD2 LEU 32 9.046 18.990 0.171 215 HD22 LEU 32 2HD2 LEU 32 8.510 17.376 -0.298 216 HD23 LEU 32 3HD2 LEU 32 9.141 17.659 1.325 217 H SER 33 H SER 33 9.546 21.366 2.575 218 HA SER 33 HA SER 33 9.342 23.044 4.848 219 HB2 SER 33 1HB SER 33 11.359 22.923 3.409 220 HB3 SER 33 2HB SER 33 10.459 23.709 2.112 221 HG SER 33 HG SER 33 11.026 25.510 3.010 222 H LYS 34 H LYS 34 7.727 22.973 1.755 223 HA LYS 34 HA LYS 34 5.682 24.738 2.674 224 HB2 LYS 34 1HB LYS 34 6.016 26.607 1.284 225 HB3 LYS 34 2HB LYS 34 7.597 26.284 1.982 226 HG2 LYS 34 1HG LYS 34 8.431 25.411 -0.019 227 HG3 LYS 34 2HG LYS 34 6.817 25.201 -0.702 228 HD2 LYS 34 1HD LYS 34 7.499 27.097 -1.802 229 HD3 LYS 34 2HD LYS 34 6.699 27.808 -0.399 230 HE2 LYS 34 1HE LYS 34 9.626 27.184 -0.330 231 HE3 LYS 34 2HE LYS 34 9.046 28.662 -1.096 232 HZ1 LYS 34 1HZ LYS 34 8.488 29.571 0.871 233 HZ2 LYS 34 2HZ LYS 34 9.647 28.499 1.480 234 HZ3 LYS 34 3HZ LYS 34 8.004 28.102 1.559 235 H VAL 35 H VAL 35 4.036 25.142 0.934 236 HA VAL 35 HA VAL 35 3.294 22.739 -0.291 237 HB VAL 35 HB VAL 35 2.367 25.530 -0.982 238 HG11 VAL 35 1HG1 VAL 35 1.033 24.626 -2.509 239 HG12 VAL 35 2HG1 VAL 35 1.830 23.073 -2.246 240 HG13 VAL 35 3HG1 VAL 35 0.386 23.493 -1.323 241 HG21 VAL 35 1HG2 VAL 35 1.988 25.144 1.339 242 HG22 VAL 35 2HG2 VAL 35 0.445 24.928 0.513 243 HG23 VAL 35 3HG2 VAL 35 1.373 23.520 1.030 244 H ALA 36 H ALA 36 4.416 21.777 -1.858 245 HA ALA 36 HA ALA 36 4.916 23.245 -4.322 246 HB1 ALA 36 1HB ALA 36 7.255 21.733 -3.957 247 HB2 ALA 36 2HB ALA 36 7.096 23.490 -3.991 248 HB3 ALA 36 3HB ALA 36 7.000 22.625 -2.457 249 HA PRO 37 HA PRO 37 3.607 19.443 -6.108 250 HB2 PRO 37 1HB PRO 37 4.664 19.728 -8.592 251 HB3 PRO 37 2HB PRO 37 3.255 20.639 -8.037 252 HG2 PRO 37 1HG PRO 37 6.121 21.490 -8.188 253 HG3 PRO 37 2HG PRO 37 4.661 22.392 -8.635 254 HD2 PRO 37 1HD PRO 37 5.961 22.792 -6.294 255 HD3 PRO 37 2HD PRO 37 4.203 22.978 -6.453 256 H VAL 38 H VAL 38 4.462 17.539 -5.570 257 HA VAL 38 HA VAL 38 7.326 17.075 -6.065 258 HB VAL 38 HB VAL 38 7.265 15.355 -4.383 259 HG11 VAL 38 1HG1 VAL 38 5.817 17.808 -3.388 260 HG12 VAL 38 2HG1 VAL 38 6.750 16.677 -2.405 261 HG13 VAL 38 3HG1 VAL 38 7.559 17.667 -3.621 262 HG21 VAL 38 1HG2 VAL 38 4.528 15.836 -3.461 263 HG22 VAL 38 2HG2 VAL 38 4.631 15.054 -5.038 264 HG23 VAL 38 3HG2 VAL 38 5.417 14.323 -3.639 265 H GLU 39 H GLU 39 7.598 14.456 -6.148 266 HA GLU 39 HA GLU 39 5.630 13.234 -7.886 267 HB2 GLU 39 1HB GLU 39 7.031 14.561 -9.437 268 HB3 GLU 39 2HB GLU 39 8.453 13.700 -8.863 269 HG2 GLU 39 1HG GLU 39 7.916 11.781 -9.968 270 HG3 GLU 39 2HG GLU 39 6.184 12.105 -9.918 271 H TRP 40 H TRP 40 5.373 11.346 -6.896 272 HA TRP 40 HA TRP 40 7.402 10.094 -5.341 273 HB2 TRP 40 1HB TRP 40 4.742 9.057 -6.341 274 HB3 TRP 40 2HB TRP 40 5.773 8.207 -5.194 275 HD1 TRP 40 HD TRP 40 3.832 11.550 -5.454 276 HE1 TRP 40 1HE TRP 40 3.108 12.234 -3.081 277 HE3 TRP 40 3HE TRP 40 6.121 7.826 -2.804 278 HZ2 TRP 40 2HZ TRP 40 3.461 11.316 -0.435 279 HZ3 TRP 40 3HZ TRP 40 5.879 7.801 -0.355 280 HH2 TRP 40 HH TRP 40 4.577 9.511 0.803 281 H LYS 41 H LYS 41 8.503 8.147 -5.728 282 HA LYS 41 HA LYS 41 8.428 7.055 -8.435 283 HB2 LYS 41 1HB LYS 41 10.775 8.414 -7.169 284 HB3 LYS 41 2HB LYS 41 11.049 7.066 -8.264 285 HG2 LYS 41 1HG LYS 41 9.407 8.471 -9.800 286 HG3 LYS 41 2HG LYS 41 10.045 9.796 -8.822 287 HD2 LYS 41 1HD LYS 41 12.348 8.984 -9.384 288 HD3 LYS 41 2HD LYS 41 11.606 7.847 -10.513 289 HE2 LYS 41 1HE LYS 41 12.053 9.586 -11.930 290 HE3 LYS 41 2HE LYS 41 10.427 10.024 -11.408 291 HZ1 LYS 41 1HZ LYS 41 11.299 11.595 -9.885 292 HZ2 LYS 41 2HZ LYS 41 12.083 11.867 -11.359 293 HZ3 LYS 41 3HZ LYS 41 12.887 11.055 -10.111 294 H LYS 42 H LYS 42 9.122 4.923 -8.595 295 HA LYS 42 HA LYS 42 9.637 3.585 -6.019 296 HB2 LYS 42 1HB LYS 42 7.420 3.103 -7.134 297 HB3 LYS 42 2HB LYS 42 8.324 2.344 -8.438 298 HG2 LYS 42 1HG LYS 42 9.146 0.648 -6.995 299 HG3 LYS 42 2HG LYS 42 8.545 1.489 -5.564 300 HD2 LYS 42 1HD LYS 42 6.333 0.946 -6.021 301 HD3 LYS 42 2HD LYS 42 6.657 0.644 -7.730 302 HE2 LYS 42 1HE LYS 42 7.940 -1.070 -5.645 303 HE3 LYS 42 2HE LYS 42 6.258 -1.351 -6.094 304 HZ1 LYS 42 1HZ LYS 42 8.564 -1.339 -7.967 305 HZ2 LYS 42 2HZ LYS 42 6.951 -1.625 -8.389 306 HZ3 LYS 42 3HZ LYS 42 7.771 -2.719 -7.392 307 H GLY 43 H GLY 43 11.672 4.682 -7.720 308 HA2 GLY 43 1HA GLY 43 13.806 3.302 -7.695 309 HA3 GLY 43 2HA GLY 43 12.928 2.229 -8.776 310 HA PRO 44 HA PRO 44 15.290 4.922 -11.585 311 HB2 PRO 44 1HB PRO 44 15.437 3.071 -13.566 312 HB3 PRO 44 2HB PRO 44 16.549 3.098 -12.193 313 HG2 PRO 44 1HG PRO 44 14.121 1.403 -12.631 314 HG3 PRO 44 2HG PRO 44 15.708 0.939 -11.991 315 HD2 PRO 44 1HD PRO 44 13.571 1.398 -10.393 316 HD3 PRO 44 2HD PRO 44 15.235 1.747 -9.885 317 H GLU 45 H GLU 45 12.169 3.896 -11.445 318 HA GLU 45 HA GLU 45 11.501 5.137 -14.033 319 HB2 GLU 45 1HB GLU 45 10.415 2.730 -12.668 320 HB3 GLU 45 2HB GLU 45 9.272 3.746 -13.536 321 HG2 GLU 45 1HG GLU 45 10.141 3.234 -15.573 322 HG3 GLU 45 2HG GLU 45 11.764 2.968 -14.938 323 H THR 46 H THR 46 9.367 6.216 -14.078 324 HA THR 46 HA THR 46 8.914 7.636 -11.546 325 HB THR 46 HB THR 46 7.794 8.570 -14.164 326 HG1 THR 46 1HG THR 46 10.488 8.732 -13.291 327 HG21 THR 46 1HG2 THR 46 8.164 9.610 -11.473 328 HG22 THR 46 2HG2 THR 46 7.112 10.181 -12.768 329 HG23 THR 46 3HG2 THR 46 8.796 10.700 -12.707 330 H LEU 47 H LEU 47 6.788 8.050 -10.818 331 HA LEU 47 HA LEU 47 4.770 6.193 -11.895 332 HB2 LEU 47 1HB LEU 47 5.173 7.135 -9.060 333 HB3 LEU 47 2HB LEU 47 3.822 6.145 -9.609 334 HG LEU 47 HG LEU 47 6.700 5.270 -9.783 335 HD11 LEU 47 1HD1 LEU 47 6.683 4.903 -7.598 336 HD12 LEU 47 2HD1 LEU 47 5.320 3.807 -7.818 337 HD13 LEU 47 3HD1 LEU 47 5.032 5.512 -7.473 338 HD21 LEU 47 1HD2 LEU 47 5.195 3.037 -9.657 339 HD22 LEU 47 2HD2 LEU 47 5.692 3.804 -11.166 340 HD23 LEU 47 3HD2 LEU 47 4.087 4.117 -10.502 341 H ARG 48 H ARG 48 2.480 6.919 -11.065 342 HA ARG 48 HA ARG 48 2.088 9.767 -10.919 343 HB2 ARG 48 1HB ARG 48 1.632 8.252 -13.445 344 HB3 ARG 48 2HB ARG 48 0.468 9.496 -13.008 345 HG2 ARG 48 1HG ARG 48 2.328 11.121 -12.852 346 HG3 ARG 48 2HG ARG 48 3.427 9.862 -13.420 347 HD2 ARG 48 1HD ARG 48 0.980 10.486 -15.007 348 HD3 ARG 48 2HD ARG 48 2.362 11.578 -15.096 349 HE ARG 48 HE ARG 48 3.544 9.961 -16.240 350 HH11 ARG 48 2HH1 ARG 48 0.571 8.631 -15.010 351 HH12 ARG 48 1HH1 ARG 48 0.691 7.169 -15.933 352 HH21 ARG 48 2HH2 ARG 48 3.713 8.040 -17.460 353 HH22 ARG 48 1HH2 ARG 48 2.479 6.834 -17.325 354 H ASP 49 H ASP 49 -0.158 10.346 -10.583 355 HA ASP 49 HA ASP 49 -1.518 8.414 -8.974 356 HB2 ASP 49 1HB ASP 49 -3.056 10.153 -8.453 357 HB3 ASP 49 2HB ASP 49 -1.474 10.919 -8.580 358 H GLY 50 H GLY 50 -3.239 7.158 -9.440 359 HA2 GLY 50 1HA GLY 50 -5.339 6.972 -10.769 360 HA3 GLY 50 2HA GLY 50 -4.359 7.393 -12.166 361 H GLY 51 H GLY 51 -5.993 4.942 -11.195 362 HA2 GLY 51 1HA GLY 51 -5.774 2.778 -12.145 363 HA3 GLY 51 2HA GLY 51 -4.031 2.999 -12.179 364 H ARG 52 H ARG 52 -2.815 2.304 -10.490 365 HA ARG 52 HA ARG 52 -4.270 1.164 -8.195 366 HB2 ARG 52 1HB ARG 52 -1.905 0.080 -9.716 367 HB3 ARG 52 2HB ARG 52 -2.312 -0.477 -8.098 368 HG2 ARG 52 1HG ARG 52 -4.642 -0.954 -9.076 369 HG3 ARG 52 2HG ARG 52 -3.845 -0.815 -10.644 370 HD2 ARG 52 1HD ARG 52 -2.605 -2.555 -8.574 371 HD3 ARG 52 2HD ARG 52 -4.056 -3.133 -9.391 372 HE ARG 52 HE ARG 52 -2.277 -2.230 -11.340 373 HH11 ARG 52 2HH1 ARG 52 -2.506 -4.754 -8.954 374 HH12 ARG 52 1HH1 ARG 52 -1.530 -5.870 -9.850 375 HH21 ARG 52 2HH2 ARG 52 -0.991 -3.690 -12.530 376 HH22 ARG 52 1HH2 ARG 52 -0.668 -5.263 -11.884 377 H TYR 53 H TYR 53 -3.312 3.804 -8.244 378 HA TYR 53 HA TYR 53 -1.581 3.736 -5.940 379 HB2 TYR 53 1HB TYR 53 -0.645 5.069 -8.489 380 HB3 TYR 53 2HB TYR 53 0.130 5.234 -6.918 381 HD1 TYR 53 1HD TYR 53 1.072 3.136 -5.824 382 HD2 TYR 53 2HD TYR 53 -0.105 3.282 -9.910 383 HE1 TYR 53 1HE TYR 53 2.434 1.140 -6.282 384 HE2 TYR 53 2HE TYR 53 1.252 1.286 -10.379 385 HH TYR 53 HH TYR 53 2.531 -0.315 -9.520 386 H SER 54 H SER 54 -2.073 5.355 -4.594 387 HA SER 54 HA SER 54 -3.562 7.654 -5.682 388 HB2 SER 54 1HB SER 54 -4.119 5.930 -3.300 389 HB3 SER 54 2HB SER 54 -4.574 7.633 -3.244 390 HG SER 54 HG SER 54 -6.312 6.676 -4.115 391 H LEU 55 H LEU 55 -2.468 9.478 -5.458 392 HA LEU 55 HA LEU 55 -0.735 9.803 -3.097 393 HB2 LEU 55 1HB LEU 55 -0.203 11.214 -5.679 394 HB3 LEU 55 2HB LEU 55 0.903 10.863 -4.352 395 HG LEU 55 HG LEU 55 0.460 8.368 -5.124 396 HD11 LEU 55 1HD1 LEU 55 0.012 9.969 -7.638 397 HD12 LEU 55 2HD1 LEU 55 -1.174 8.942 -6.832 398 HD13 LEU 55 3HD1 LEU 55 0.266 8.226 -7.556 399 HD21 LEU 55 1HD2 LEU 55 2.404 8.765 -6.797 400 HD22 LEU 55 2HD2 LEU 55 2.659 9.082 -5.080 401 HD23 LEU 55 3HD2 LEU 55 2.356 10.420 -6.190 402 H LYS 56 H LYS 56 -1.805 11.131 -1.775 403 HA LYS 56 HA LYS 56 -3.208 13.446 -2.917 404 HB2 LYS 56 1HB LYS 56 -4.402 11.810 -1.370 405 HB3 LYS 56 2HB LYS 56 -3.398 12.452 -0.076 406 HG2 LYS 56 1HG LYS 56 -4.452 14.494 -0.084 407 HG3 LYS 56 2HG LYS 56 -4.987 14.331 -1.758 408 HD2 LYS 56 1HD LYS 56 -6.687 12.786 -1.153 409 HD3 LYS 56 2HD LYS 56 -6.033 12.603 0.476 410 HE2 LYS 56 1HE LYS 56 -7.897 14.011 0.720 411 HE3 LYS 56 2HE LYS 56 -6.501 15.086 0.772 412 HZ1 LYS 56 1HZ LYS 56 -8.240 14.602 -1.587 413 HZ2 LYS 56 2HZ LYS 56 -6.878 15.606 -1.568 414 HZ3 LYS 56 3HZ LYS 56 -8.230 15.996 -0.628 415 H GLN 57 H GLN 57 -2.735 15.523 -2.299 416 HA GLN 57 HA GLN 57 -0.312 15.854 -0.656 417 HB2 GLN 57 1HB GLN 57 0.157 16.488 -2.925 418 HB3 GLN 57 2HB GLN 57 -1.301 17.467 -3.009 419 HG2 GLN 57 1HG GLN 57 -0.391 19.181 -1.802 420 HG3 GLN 57 2HG GLN 57 0.739 18.129 -0.952 421 HE21 GLN 57 1HE2 GLN 57 2.661 18.993 -1.389 422 HE22 GLN 57 2HE2 GLN 57 3.285 19.288 -2.973 423 H ASP 58 H ASP 58 -0.982 16.436 1.317 424 HA ASP 58 HA ASP 58 -3.203 18.321 1.589 425 HB2 ASP 58 1HB ASP 58 -1.834 16.414 3.455 426 HB3 ASP 58 2HB ASP 58 -2.757 17.765 4.108 427 H GLY 59 H GLY 59 -1.945 20.122 0.774 428 HA2 GLY 59 1HA GLY 59 -0.858 22.110 1.170 429 HA3 GLY 59 2HA GLY 59 -0.821 21.674 2.872 430 H THR 60 H THR 60 1.033 20.911 3.760 431 HA THR 60 HA THR 60 3.376 20.842 1.987 432 HB THR 60 HB THR 60 4.694 21.117 4.114 433 HG1 THR 60 1HG THR 60 3.521 21.775 5.956 434 HG21 THR 60 1HG2 THR 60 2.680 23.307 3.596 435 HG22 THR 60 2HG2 THR 60 4.111 23.010 2.609 436 HG23 THR 60 3HG2 THR 60 4.288 23.488 4.297 437 H ARG 61 H ARG 61 1.348 18.651 2.802 438 HA ARG 61 HA ARG 61 3.396 16.638 3.438 439 HB2 ARG 61 1HB ARG 61 0.786 17.140 4.778 440 HB3 ARG 61 2HB ARG 61 1.276 15.466 4.556 441 HG2 ARG 61 1HG ARG 61 3.126 15.689 5.935 442 HG3 ARG 61 2HG ARG 61 3.151 17.447 5.779 443 HD2 ARG 61 1HD ARG 61 0.863 16.008 7.085 444 HD3 ARG 61 2HD ARG 61 2.314 16.446 7.986 445 HE ARG 61 HE ARG 61 1.531 18.760 6.760 446 HH11 ARG 61 2HH1 ARG 61 0.039 16.476 8.922 447 HH12 ARG 61 1HH1 ARG 61 -0.984 17.656 9.672 448 HH21 ARG 61 2HH2 ARG 61 0.190 20.324 7.741 449 HH22 ARG 61 1HH2 ARG 61 -0.897 19.844 8.999 450 H CYS 62 H CYS 62 3.053 14.564 2.548 451 HA CYS 62 HA CYS 62 0.940 14.389 0.513 452 HB2 CYS 62 1HB CYS 62 3.877 13.790 0.165 453 HB3 CYS 62 2HB CYS 62 2.646 13.189 -0.939 454 HG CYS 62 HG CYS 62 3.788 16.352 -0.532 455 H GLU 63 H GLU 63 -0.219 12.584 0.648 456 HA GLU 63 HA GLU 63 0.890 10.339 2.200 457 HB2 GLU 63 1HB GLU 63 -1.022 11.239 3.320 458 HB3 GLU 63 2HB GLU 63 -1.954 11.274 1.830 459 HG2 GLU 63 1HG GLU 63 -1.807 8.780 1.779 460 HG3 GLU 63 2HG GLU 63 -1.086 8.853 3.385 461 H LEU 64 H LEU 64 1.631 8.825 0.860 462 HA LEU 64 HA LEU 64 0.312 8.356 -1.697 463 HB2 LEU 64 1HB LEU 64 2.604 8.408 -1.993 464 HB3 LEU 64 2HB LEU 64 2.920 7.559 -0.482 465 HG LEU 64 HG LEU 64 2.036 5.481 -1.561 466 HD11 LEU 64 1HD1 LEU 64 0.968 7.102 -3.421 467 HD12 LEU 64 2HD1 LEU 64 1.321 5.397 -3.696 468 HD13 LEU 64 3HD1 LEU 64 2.457 6.631 -4.241 469 HD21 LEU 64 1HD2 LEU 64 4.110 4.929 -2.266 470 HD22 LEU 64 2HD2 LEU 64 4.521 6.492 -1.561 471 HD23 LEU 64 3HD2 LEU 64 4.259 6.350 -3.299 472 H GLN 65 H GLN 65 -0.578 6.391 -2.315 473 HA GLN 65 HA GLN 65 -0.848 4.327 -0.250 474 HB2 GLN 65 1HB GLN 65 -3.048 5.829 -1.610 475 HB3 GLN 65 2HB GLN 65 -3.303 4.143 -1.179 476 HG2 GLN 65 1HG GLN 65 -2.544 4.824 1.167 477 HG3 GLN 65 2HG GLN 65 -2.798 6.481 0.621 478 HE21 GLN 65 1HE2 GLN 65 -4.170 4.297 2.436 479 HE22 GLN 65 2HE2 GLN 65 -5.844 4.561 2.104 480 H ILE 66 H ILE 66 -0.986 2.243 -1.004 481 HA ILE 66 HA ILE 66 -0.901 1.887 -3.927 482 HB ILE 66 HB ILE 66 0.735 0.281 -1.964 483 HG12 ILE 66 1HG1 ILE 66 1.950 2.195 -3.913 484 HG13 ILE 66 2HG1 ILE 66 1.292 2.827 -2.407 485 HG21 ILE 66 1HG2 ILE 66 0.137 0.068 -4.811 486 HG22 ILE 66 2HG2 ILE 66 1.862 0.036 -4.450 487 HG23 ILE 66 3HG2 ILE 66 0.781 -1.135 -3.694 488 HD11 ILE 66 1HD1 ILE 66 3.513 2.476 -1.898 489 HD12 ILE 66 2HD1 ILE 66 2.747 1.007 -1.293 490 HD13 ILE 66 3HD1 ILE 66 3.600 0.985 -2.836 491 H HIS 67 H HIS 67 -3.028 1.214 -4.067 492 HA HIS 67 HA HIS 67 -4.236 -0.680 -2.360 493 HB2 HIS 67 1HB HIS 67 -4.938 0.003 -5.223 494 HB3 HIS 67 2HB HIS 67 -5.981 -0.835 -4.078 495 HD1 HIS 67 1HD HIS 67 -6.680 0.649 -1.917 496 HD2 HIS 67 2HD HIS 67 -5.177 2.712 -5.195 497 HE1 HIS 67 1HE HIS 67 -7.369 3.044 -1.578 498 HE2 HIS 67 2HE HIS 67 -6.522 4.257 -3.616 499 H ASP 68 H ASP 68 -4.630 -2.879 -2.620 500 HA ASP 68 HA ASP 68 -4.153 -5.035 -3.165 501 HB2 ASP 68 1HB ASP 68 -4.966 -4.143 -5.422 502 HB3 ASP 68 2HB ASP 68 -3.265 -4.042 -5.869 503 H LEU 69 H LEU 69 -2.247 -3.979 -1.669 504 HA LEU 69 HA LEU 69 0.333 -3.717 -2.572 505 HB2 LEU 69 1HB LEU 69 -0.889 -4.644 -0.033 506 HB3 LEU 69 2HB LEU 69 0.833 -4.941 -0.261 507 HG LEU 69 HG LEU 69 -0.511 -2.240 -0.332 508 HD11 LEU 69 1HD1 LEU 69 1.504 -2.862 1.711 509 HD12 LEU 69 2HD1 LEU 69 -0.025 -3.724 1.878 510 HD13 LEU 69 3HD1 LEU 69 -0.007 -1.961 1.837 511 HD21 LEU 69 1HD2 LEU 69 2.132 -1.770 -0.028 512 HD22 LEU 69 2HD2 LEU 69 1.296 -1.748 -1.580 513 HD23 LEU 69 3HD2 LEU 69 2.173 -3.192 -1.071 514 H SER 70 H SER 70 2.157 -5.336 -2.090 515 HA SER 70 HA SER 70 1.610 -8.118 -2.362 516 HB2 SER 70 1HB SER 70 2.183 -6.511 -4.808 517 HB3 SER 70 2HB SER 70 2.934 -8.101 -4.673 518 HG SER 70 HG SER 70 0.263 -7.411 -4.986 519 H VAL 71 H VAL 71 3.579 -9.407 -2.506 520 HA VAL 71 HA VAL 71 5.651 -8.350 -0.891 521 HB VAL 71 HB VAL 71 6.846 -10.536 -1.768 522 HG11 VAL 71 1HG1 VAL 71 5.685 -9.956 0.484 523 HG12 VAL 71 2HG1 VAL 71 4.391 -10.991 -0.123 524 HG13 VAL 71 3HG1 VAL 71 6.017 -11.641 0.085 525 HG21 VAL 71 1HG2 VAL 71 5.054 -10.726 -3.587 526 HG22 VAL 71 2HG2 VAL 71 5.456 -12.185 -2.681 527 HG23 VAL 71 3HG2 VAL 71 3.988 -11.286 -2.299 528 H ALA 72 H ALA 72 5.148 -8.465 -4.306 529 HA ALA 72 HA ALA 72 7.919 -8.064 -5.002 530 HB1 ALA 72 1HB ALA 72 6.819 -9.179 -6.688 531 HB2 ALA 72 2HB ALA 72 5.354 -8.210 -6.522 532 HB3 ALA 72 3HB ALA 72 6.785 -7.521 -7.290 533 H ASP 73 H ASP 73 5.361 -6.100 -3.948 534 HA ASP 73 HA ASP 73 6.229 -3.691 -5.283 535 HB2 ASP 73 1HB ASP 73 4.061 -4.417 -3.371 536 HB3 ASP 73 2HB ASP 73 4.568 -2.731 -3.437 537 H ALA 74 H ALA 74 6.792 -5.301 -2.257 538 HA ALA 74 HA ALA 74 7.712 -3.174 -0.699 539 HB1 ALA 74 1HB ALA 74 9.267 -5.469 -0.095 540 HB2 ALA 74 2HB ALA 74 7.875 -4.821 0.776 541 HB3 ALA 74 3HB ALA 74 7.638 -6.005 -0.510 542 H GLY 75 H GLY 75 9.123 -1.731 -1.525 543 HA2 GLY 75 1HA GLY 75 11.811 -2.696 -2.125 544 HA3 GLY 75 2HA GLY 75 10.992 -1.811 -3.403 545 H GLU 76 H GLU 76 11.610 0.232 -3.516 546 HA GLU 76 HA GLU 76 11.915 1.761 -1.037 547 HB2 GLU 76 1HB GLU 76 14.172 1.091 -1.604 548 HB3 GLU 76 2HB GLU 76 13.957 1.639 -3.260 549 HG2 GLU 76 1HG GLU 76 13.839 3.925 -2.553 550 HG3 GLU 76 2HG GLU 76 13.851 3.444 -0.857 551 H TYR 77 H TYR 77 10.426 3.299 -1.217 552 HA TYR 77 HA TYR 77 9.850 4.454 -3.844 553 HB2 TYR 77 1HB TYR 77 8.383 4.596 -1.207 554 HB3 TYR 77 2HB TYR 77 7.898 5.497 -2.639 555 HD1 TYR 77 1HD TYR 77 8.493 2.041 -1.397 556 HD2 TYR 77 2HD TYR 77 6.513 4.508 -4.242 557 HE1 TYR 77 1HE TYR 77 7.198 0.098 -2.171 558 HE2 TYR 77 2HE TYR 77 5.212 2.573 -5.024 559 HH TYR 77 HH TYR 77 5.177 -0.424 -3.331 560 H SER 78 H SER 78 10.863 6.252 -4.404 561 HA SER 78 HA SER 78 11.804 8.071 -2.294 562 HB2 SER 78 1HB SER 78 12.722 7.997 -5.173 563 HB3 SER 78 2HB SER 78 13.485 8.840 -3.825 564 HG SER 78 HG SER 78 14.416 6.744 -4.477 565 H CYS 79 H CYS 79 11.439 10.290 -2.446 566 HA CYS 79 HA CYS 79 9.434 11.114 -4.440 567 HB2 CYS 79 1HB CYS 79 8.539 10.775 -2.082 568 HB3 CYS 79 2HB CYS 79 9.531 12.148 -1.607 569 HG CYS 79 HG CYS 79 7.200 12.410 -4.086 570 H MET 80 H MET 80 10.145 12.691 -5.700 571 HA MET 80 HA MET 80 12.414 14.310 -4.819 572 HB2 MET 80 1HB MET 80 11.151 14.203 -7.560 573 HB3 MET 80 2HB MET 80 12.710 14.899 -7.136 574 HG2 MET 80 1HG MET 80 13.248 12.867 -8.116 575 HG3 MET 80 2HG MET 80 13.354 12.546 -6.386 576 HE1 MET 80 1HE MET 80 11.778 9.625 -5.849 577 HE2 MET 80 2HE MET 80 12.670 9.353 -7.346 578 HE3 MET 80 3HE MET 80 13.296 10.476 -6.138 579 H CYS 81 H CYS 81 12.154 16.323 -4.122 580 HA CYS 81 HA CYS 81 9.802 17.842 -5.015 581 HB2 CYS 81 1HB CYS 81 9.272 17.050 -2.793 582 HB3 CYS 81 2HB CYS 81 10.827 17.600 -2.181 583 HG CYS 81 HG CYS 81 7.985 19.228 -2.371 584 H GLY 82 H GLY 82 10.748 19.323 -6.298 585 HA2 GLY 82 1HA GLY 82 11.917 21.231 -6.833 586 HA3 GLY 82 2HA GLY 82 12.289 21.406 -5.125 587 H GLN 83 H GLN 83 14.224 20.631 -4.319 588 HA GLN 83 HA GLN 83 16.130 19.649 -6.340 589 HB2 GLN 83 1HB GLN 83 16.600 21.559 -4.049 590 HB3 GLN 83 2HB GLN 83 17.893 20.820 -4.984 591 HG2 GLN 83 1HG GLN 83 15.725 22.543 -6.159 592 HG3 GLN 83 2HG GLN 83 17.316 23.131 -5.677 593 HE21 GLN 83 1HE2 GLN 83 17.250 23.770 -8.004 594 HE22 GLN 83 2HE2 GLN 83 17.847 22.630 -9.157 595 H GLU 84 H GLU 84 14.999 19.473 -3.029 596 HA GLU 84 HA GLU 84 16.950 17.535 -2.207 597 HB2 GLU 84 1HB GLU 84 14.547 18.808 -0.994 598 HB3 GLU 84 2HB GLU 84 15.084 17.275 -0.320 599 HG2 GLU 84 1HG GLU 84 16.648 19.834 -0.514 600 HG3 GLU 84 2HG GLU 84 16.067 19.035 0.946 601 H ARG 85 H ARG 85 16.212 15.393 -1.295 602 HA ARG 85 HA ARG 85 13.904 14.184 -2.533 603 HB2 ARG 85 1HB ARG 85 15.312 13.920 -4.409 604 HB3 ARG 85 2HB ARG 85 16.703 13.515 -3.412 605 HG2 ARG 85 1HG ARG 85 15.453 11.423 -2.744 606 HG3 ARG 85 2HG ARG 85 14.309 11.812 -4.031 607 HD2 ARG 85 1HD ARG 85 15.779 10.396 -5.109 608 HD3 ARG 85 2HD ARG 85 16.438 11.982 -5.510 609 HE ARG 85 HE ARG 85 17.617 10.940 -3.143 610 HH11 ARG 85 2HH1 ARG 85 17.658 10.674 -6.614 611 HH12 ARG 85 1HH1 ARG 85 19.299 10.123 -6.683 612 HH21 ARG 85 2HH2 ARG 85 19.778 10.215 -3.221 613 HH22 ARG 85 1HH2 ARG 85 20.504 9.861 -4.753 614 H THR 86 H THR 86 13.367 12.165 -1.642 615 HA THR 86 HA THR 86 15.090 11.085 0.450 616 HB THR 86 HB THR 86 13.589 12.776 1.539 617 HG1 THR 86 1HG THR 86 12.864 10.202 2.446 618 HG21 THR 86 1HG2 THR 86 11.629 12.313 0.040 619 HG22 THR 86 2HG2 THR 86 11.245 12.347 1.761 620 HG23 THR 86 3HG2 THR 86 11.392 10.804 0.921 621 H SER 87 H SER 87 14.265 8.998 1.295 622 HA SER 87 HA SER 87 12.338 7.635 -0.416 623 HB2 SER 87 1HB SER 87 13.831 5.826 -0.990 624 HB3 SER 87 2HB SER 87 14.589 7.342 -1.479 625 HG SER 87 HG SER 87 16.047 5.957 -0.379 626 H ALA 88 H ALA 88 11.591 5.622 0.456 627 HA ALA 88 HA ALA 88 12.391 4.979 3.186 628 HB1 ALA 88 1HB ALA 88 9.926 4.915 3.838 629 HB2 ALA 88 2HB ALA 88 10.687 6.502 3.711 630 HB3 ALA 88 3HB ALA 88 9.646 5.917 2.413 631 H THR 89 H THR 89 12.570 2.851 3.384 632 HA THR 89 HA THR 89 11.705 1.088 1.307 633 HB THR 89 HB THR 89 12.842 0.413 4.028 634 HG1 THR 89 1HG THR 89 14.483 1.411 3.044 635 HG21 THR 89 1HG2 THR 89 12.049 -1.623 3.363 636 HG22 THR 89 2HG2 THR 89 13.586 -1.633 2.498 637 HG23 THR 89 3HG2 THR 89 12.100 -1.206 1.651 638 H LEU 90 H LEU 90 9.705 0.350 1.086 639 HA LEU 90 HA LEU 90 7.815 0.433 3.253 640 HB2 LEU 90 1HB LEU 90 6.901 0.969 1.174 641 HB3 LEU 90 2HB LEU 90 7.695 -0.385 0.374 642 HG LEU 90 HG LEU 90 6.110 -1.797 1.945 643 HD11 LEU 90 1HD1 LEU 90 4.022 -0.774 2.412 644 HD12 LEU 90 2HD1 LEU 90 4.468 0.692 1.541 645 HD13 LEU 90 3HD1 LEU 90 5.269 0.292 3.060 646 HD21 LEU 90 1HD2 LEU 90 4.954 -2.275 0.064 647 HD22 LEU 90 2HD2 LEU 90 6.205 -1.285 -0.688 648 HD23 LEU 90 3HD2 LEU 90 4.634 -0.580 -0.304 649 H THR 91 H THR 91 6.915 -1.261 4.355 650 HA THR 91 HA THR 91 8.320 -3.831 4.104 651 HB THR 91 HB THR 91 6.663 -2.865 6.439 652 HG1 THR 91 1HG THR 91 8.475 -1.546 6.280 653 HG21 THR 91 1HG2 THR 91 8.655 -4.746 7.159 654 HG22 THR 91 2HG2 THR 91 7.798 -5.392 5.760 655 HG23 THR 91 3HG2 THR 91 6.904 -4.939 7.210 656 H VAL 92 H VAL 92 7.272 -5.454 3.179 657 HA VAL 92 HA VAL 92 4.327 -5.503 3.332 658 HB VAL 92 HB VAL 92 6.061 -6.446 1.044 659 HG11 VAL 92 1HG1 VAL 92 3.075 -6.322 0.976 660 HG12 VAL 92 2HG1 VAL 92 4.181 -7.276 -0.014 661 HG13 VAL 92 3HG1 VAL 92 3.886 -7.728 1.665 662 HG21 VAL 92 1HG2 VAL 92 5.301 -4.618 -0.190 663 HG22 VAL 92 2HG2 VAL 92 3.975 -4.294 0.926 664 HG23 VAL 92 3HG2 VAL 92 5.635 -3.934 1.401 665 H ARG 93 H ARG 93 3.654 -7.115 4.572 666 HA ARG 93 HA ARG 93 5.350 -9.406 5.083 667 HB2 ARG 93 1HB ARG 93 2.852 -8.288 6.252 668 HB3 ARG 93 2HB ARG 93 3.136 -10.013 6.443 669 HG2 ARG 93 1HG ARG 93 5.307 -9.526 7.481 670 HG3 ARG 93 2HG ARG 93 4.977 -7.800 7.325 671 HD2 ARG 93 1HD ARG 93 4.388 -8.339 9.534 672 HD3 ARG 93 2HD ARG 93 2.859 -8.245 8.660 673 HE ARG 93 HE ARG 93 3.779 -10.900 8.632 674 HH11 ARG 93 2HH1 ARG 93 2.486 -8.525 10.824 675 HH12 ARG 93 1HH1 ARG 93 1.769 -9.698 11.878 676 HH21 ARG 93 2HH2 ARG 93 2.839 -12.454 10.011 677 HH22 ARG 93 1HH2 ARG 93 1.970 -11.932 11.415 678 H ALA 94 H ALA 94 5.233 -11.287 4.056 679 HA ALA 94 HA ALA 94 3.346 -11.701 1.950 680 HB1 ALA 94 1HB ALA 94 4.781 -13.261 1.237 681 HB2 ALA 94 2HB ALA 94 5.857 -12.641 2.490 682 HB3 ALA 94 3HB ALA 94 4.850 -14.052 2.812 683 H LEU 95 H LEU 95 1.601 -13.049 1.853 684 HA LEU 95 HA LEU 95 0.089 -13.529 4.123 685 HB2 LEU 95 1HB LEU 95 0.029 -14.875 1.431 686 HB3 LEU 95 2HB LEU 95 -1.191 -15.132 2.677 687 HG LEU 95 HG LEU 95 -0.762 -12.815 0.879 688 HD11 LEU 95 1HD1 LEU 95 -3.033 -14.426 1.954 689 HD12 LEU 95 2HD1 LEU 95 -2.614 -14.045 0.284 690 HD13 LEU 95 3HD1 LEU 95 -3.330 -12.808 1.316 691 HD21 LEU 95 1HD2 LEU 95 -1.848 -12.537 3.679 692 HD22 LEU 95 2HD2 LEU 95 -1.949 -11.312 2.414 693 HD23 LEU 95 3HD2 LEU 95 -0.376 -11.797 3.050 694 HA PRO 96 HA PRO 96 1.709 -17.147 6.014 695 HB2 PRO 96 1HB PRO 96 -0.555 -18.248 7.029 696 HB3 PRO 96 2HB PRO 96 0.190 -16.792 7.701 697 HG2 PRO 96 1HG PRO 96 -2.137 -17.039 5.834 698 HG3 PRO 96 2HG PRO 96 -1.942 -15.983 7.244 699 HD2 PRO 96 1HD PRO 96 -1.595 -15.104 4.707 700 HD3 PRO 96 2HD PRO 96 -0.677 -14.449 6.078 701 H ALA 97 H ALA 97 2.411 -18.946 5.067 702 HA ALA 97 HA ALA 97 1.611 -20.088 2.755 703 HB1 ALA 97 1HB ALA 97 3.574 -20.974 3.535 704 HB2 ALA 97 2HB ALA 97 2.945 -21.220 5.165 705 HB3 ALA 97 3HB ALA 97 2.468 -22.309 3.862 706 H ARG 98 H ARG 98 0.613 -21.368 5.937 707 HA ARG 98 HA ARG 98 -1.863 -22.326 4.658 708 HB2 ARG 98 1HB ARG 98 -0.228 -23.681 6.809 709 HB3 ARG 98 2HB ARG 98 -1.822 -24.213 6.289 710 HG2 ARG 98 1HG ARG 98 0.363 -23.915 4.281 711 HG3 ARG 98 2HG ARG 98 0.311 -25.337 5.324 712 HD2 ARG 98 1HD ARG 98 -2.011 -25.748 4.575 713 HD3 ARG 98 2HD ARG 98 -1.866 -24.384 3.468 714 HE ARG 98 HE ARG 98 0.232 -26.218 3.020 715 HH11 ARG 98 2HH1 ARG 98 -3.196 -25.835 2.549 716 HH12 ARG 98 1HH1 ARG 98 -3.252 -26.865 1.157 717 HH21 ARG 98 2HH2 ARG 98 0.171 -27.576 1.188 718 HH22 ARG 98 1HH2 ARG 98 -1.336 -27.855 0.384 719 H PHE 99 H PHE 99 -3.663 -22.665 6.228 720 HA PHE 99 HA PHE 99 -3.730 -20.416 8.101 721 HB2 PHE 99 1HB PHE 99 -6.064 -22.114 7.220 722 HB3 PHE 99 2HB PHE 99 -6.110 -20.517 7.958 723 HD1 PHE 99 2HD PHE 99 -5.576 -18.530 6.659 724 HD2 PHE 99 1HD PHE 99 -5.607 -22.397 4.882 725 HE1 PHE 99 2HE PHE 99 -5.617 -17.499 4.426 726 HE2 PHE 99 1HE PHE 99 -5.648 -21.372 2.645 727 HZ PHE 99 HZ PHE 99 -5.654 -18.920 2.415 728 H THR 100 H THR 100 -3.075 -20.946 10.085 729 HA THR 100 HA THR 100 -2.751 -23.301 11.316 730 HB THR 100 HB THR 100 -2.288 -21.068 12.344 731 HG1 THR 100 1HG THR 100 -3.656 -23.030 13.893 732 HG21 THR 100 1HG2 THR 100 -5.106 -21.166 13.386 733 HG22 THR 100 2HG2 THR 100 -4.687 -20.267 11.928 734 HG23 THR 100 3HG2 THR 100 -3.946 -19.842 13.470 735 H GLU 101 H GLU 101 -3.924 -24.888 12.275 736 HA GLU 101 HA GLU 101 -6.720 -25.042 11.634 737 HB2 GLU 101 1HB GLU 101 -5.102 -26.985 11.589 738 HB3 GLU 101 2HB GLU 101 -5.128 -26.950 13.347 739 HG2 GLU 101 1HG GLU 101 -6.632 -28.642 12.554 740 HG3 GLU 101 2HG GLU 101 -7.556 -27.338 13.297 741 H GLY 102 H GLY 102 -4.798 -24.729 14.593 742 HA2 GLY 102 1HA GLY 102 -5.550 -23.436 16.450 743 HA3 GLY 102 2HA GLY 102 -7.208 -23.741 15.952 744 H SER 103 H SER 103 -7.665 -24.355 18.131 745 HA SER 103 HA SER 103 -7.105 -27.173 18.606 746 HB2 SER 103 1HB SER 103 -6.479 -25.015 20.635 747 HB3 SER 103 2HB SER 103 -6.502 -26.743 20.985 748 HG SER 103 HG SER 103 -4.946 -26.722 19.035 749 H GLY 104 H GLY 104 -8.485 -28.080 20.333 750 HA2 GLY 104 1HA GLY 104 -11.078 -26.682 20.367 751 HA3 GLY 104 2HA GLY 104 -10.865 -28.421 20.502 752 HA PRO 105 HA PRO 105 -10.869 -26.073 24.714 753 HB2 PRO 105 1HB PRO 105 -13.524 -25.949 25.266 754 HB3 PRO 105 2HB PRO 105 -12.650 -24.646 24.452 755 HG2 PRO 105 1HG PRO 105 -14.369 -26.798 23.277 756 HG3 PRO 105 2HG PRO 105 -14.305 -25.072 22.875 757 HD2 PRO 105 1HD PRO 105 -13.075 -26.963 21.377 758 HD3 PRO 105 2HD PRO 105 -12.430 -25.319 21.558 759 H SER 106 H SER 106 -10.431 -27.518 26.247 760 HA SER 106 HA SER 106 -11.142 -30.224 26.115 761 HB2 SER 106 1HB SER 106 -10.278 -28.667 28.564 762 HB3 SER 106 2HB SER 106 -10.190 -30.416 28.353 763 HG SER 106 HG SER 106 -8.283 -30.020 27.574 764 H SER 107 H SER 107 -12.285 -31.395 27.945 765 HA SER 107 HA SER 107 -14.779 -29.966 28.598 766 HB2 SER 107 1HB SER 107 -15.866 -32.225 28.563 767 HB3 SER 107 2HB SER 107 -15.240 -31.714 26.996 768 HG SER 107 HG SER 107 -14.603 -33.885 28.442 769 H GLY 108 H GLY 108 -15.913 -30.796 30.548 770 HA2 GLY 108 1HA GLY 108 -14.110 -30.850 32.763 771 HA3 GLY 108 2HA GLY 108 -15.860 -30.987 32.843 Start of MODEL 2 1 H1 GLY 1 H GLY 1 20.351 32.400 8.734 2 HA2 GLY 1 1HA GLY 1 20.507 30.623 6.417 3 HA3 GLY 1 2HA GLY 1 20.769 29.900 7.998 4 H SER 2 H SER 2 18.655 29.367 6.058 5 HA SER 2 HA SER 2 16.387 29.137 5.913 6 HB2 SER 2 1HB SER 2 16.608 29.123 8.933 7 HB3 SER 2 2HB SER 2 15.296 28.433 7.978 8 HG SER 2 HG SER 2 17.214 27.220 6.968 9 H SER 3 H SER 3 17.167 31.786 5.672 10 HA SER 3 HA SER 3 14.727 33.122 6.373 11 HB2 SER 3 1HB SER 3 15.846 34.976 7.627 12 HB3 SER 3 2HB SER 3 15.858 33.436 8.488 13 HG SER 3 HG SER 3 17.982 33.228 8.127 14 H GLY 4 H GLY 4 14.322 34.861 5.063 15 HA2 GLY 4 1HA GLY 4 15.311 36.733 3.759 16 HA3 GLY 4 2HA GLY 4 16.466 35.556 3.150 17 H SER 5 H SER 5 16.064 34.883 1.163 18 HA SER 5 HA SER 5 13.261 34.604 0.310 19 HB2 SER 5 1HB SER 5 14.437 36.673 -0.616 20 HB3 SER 5 2HB SER 5 15.456 35.561 -1.529 21 HG SER 5 HG SER 5 13.701 36.173 -2.792 22 H SER 6 H SER 6 13.230 32.392 0.529 23 HA SER 6 HA SER 6 15.310 30.741 -0.581 24 HB2 SER 6 1HB SER 6 12.690 30.204 0.788 25 HB3 SER 6 2HB SER 6 13.554 28.900 -0.025 26 HG SER 6 HG SER 6 15.411 29.609 1.296 27 H GLY 7 H GLY 7 14.462 28.785 -1.969 28 HA2 GLY 7 1HA GLY 7 12.742 29.865 -4.114 29 HA3 GLY 7 2HA GLY 7 14.250 29.036 -4.473 30 HA PRO 8 HA PRO 8 11.960 25.305 -4.831 31 HB2 PRO 8 1HB PRO 8 13.964 23.517 -4.437 32 HB3 PRO 8 2HB PRO 8 13.793 24.457 -5.925 33 HG2 PRO 8 1HG PRO 8 15.582 24.940 -3.574 34 HG3 PRO 8 2HG PRO 8 15.949 25.068 -5.304 35 HD2 PRO 8 1HD PRO 8 15.417 27.231 -3.763 36 HD3 PRO 8 2HD PRO 8 14.982 27.153 -5.483 37 H ALA 9 H ALA 9 10.908 23.837 -3.558 38 HA ALA 9 HA ALA 9 11.078 24.182 -0.720 39 HB1 ALA 9 1HB ALA 9 9.433 22.032 -1.069 40 HB2 ALA 9 2HB ALA 9 8.921 23.720 -1.101 41 HB3 ALA 9 3HB ALA 9 9.269 22.875 -2.610 42 H ARG 10 H ARG 10 11.465 22.511 0.833 43 HA ARG 10 HA ARG 10 13.066 20.250 -0.152 44 HB2 ARG 10 1HB ARG 10 14.607 20.581 1.781 45 HB3 ARG 10 2HB ARG 10 14.672 21.876 0.594 46 HG2 ARG 10 1HG ARG 10 14.627 23.109 2.500 47 HG3 ARG 10 2HG ARG 10 12.892 22.969 2.206 48 HD2 ARG 10 1HD ARG 10 13.225 22.476 4.497 49 HD3 ARG 10 2HD ARG 10 12.925 20.935 3.695 50 HE ARG 10 HE ARG 10 15.640 21.177 3.699 51 HH11 ARG 10 2HH1 ARG 10 13.164 21.264 6.144 52 HH12 ARG 10 1HH1 ARG 10 14.188 20.627 7.388 53 HH21 ARG 10 2HH2 ARG 10 16.998 20.337 5.328 54 HH22 ARG 10 1HH2 ARG 10 16.368 20.101 6.923 55 H PHE 11 H PHE 11 13.474 18.654 1.717 56 HA PHE 11 HA PHE 11 10.884 18.094 2.920 57 HB2 PHE 11 1HB PHE 11 13.407 16.459 2.639 58 HB3 PHE 11 2HB PHE 11 11.991 15.899 3.524 59 HD1 PHE 11 2HD PHE 11 13.329 16.739 0.213 60 HD2 PHE 11 1HD PHE 11 10.019 15.174 2.383 61 HE1 PHE 11 2HE PHE 11 12.359 15.893 -1.883 62 HE2 PHE 11 1HE PHE 11 9.044 14.324 0.290 63 HZ PHE 11 HZ PHE 11 10.214 14.684 -1.847 64 H THR 12 H THR 12 10.478 17.977 5.084 65 HA THR 12 HA THR 12 12.612 18.973 6.855 66 HB THR 12 HB THR 12 10.949 19.942 8.266 67 HG1 THR 12 1HG THR 12 8.652 19.688 7.494 68 HG21 THR 12 1HG2 THR 12 10.832 21.684 6.883 69 HG22 THR 12 2HG2 THR 12 9.506 20.906 6.019 70 HG23 THR 12 3HG2 THR 12 11.172 20.629 5.512 71 H GLN 13 H GLN 13 10.662 16.298 6.138 72 HA GLN 13 HA GLN 13 11.608 14.937 8.538 73 HB2 GLN 13 1HB GLN 13 8.760 15.449 7.856 74 HB3 GLN 13 2HB GLN 13 9.162 13.858 8.489 75 HG2 GLN 13 1HG GLN 13 10.391 15.216 10.341 76 HG3 GLN 13 2HG GLN 13 9.331 16.522 9.812 77 HE21 GLN 13 1HE2 GLN 13 9.446 15.012 12.340 78 HE22 GLN 13 2HE2 GLN 13 7.858 14.369 12.566 79 H ASP 14 H ASP 14 12.711 13.263 7.784 80 HA ASP 14 HA ASP 14 12.820 12.224 5.292 81 HB2 ASP 14 1HB ASP 14 13.405 9.994 6.443 82 HB3 ASP 14 2HB ASP 14 14.399 11.399 6.820 83 H LEU 15 H LEU 15 11.556 11.094 3.961 84 HA LEU 15 HA LEU 15 8.913 10.756 4.108 85 HB2 LEU 15 1HB LEU 15 10.693 10.001 2.313 86 HB3 LEU 15 2HB LEU 15 10.414 8.418 3.037 87 HG LEU 15 HG LEU 15 8.208 10.131 1.906 88 HD11 LEU 15 1HD1 LEU 15 8.719 7.892 0.267 89 HD12 LEU 15 2HD1 LEU 15 10.255 8.725 0.506 90 HD13 LEU 15 3HD1 LEU 15 8.867 9.602 -0.140 91 HD21 LEU 15 1HD2 LEU 15 8.411 7.449 3.136 92 HD22 LEU 15 2HD2 LEU 15 7.353 7.602 1.734 93 HD23 LEU 15 3HD2 LEU 15 7.086 8.612 3.155 94 H LYS 16 H LYS 16 7.405 9.325 4.897 95 HA LYS 16 HA LYS 16 8.397 7.406 6.902 96 HB2 LYS 16 1HB LYS 16 7.048 9.417 7.699 97 HB3 LYS 16 2HB LYS 16 5.665 8.682 6.898 98 HG2 LYS 16 1HG LYS 16 7.225 7.055 8.840 99 HG3 LYS 16 2HG LYS 16 6.121 8.291 9.448 100 HD2 LYS 16 1HD LYS 16 5.281 6.210 7.444 101 HD3 LYS 16 2HD LYS 16 5.175 5.948 9.186 102 HE2 LYS 16 1HE LYS 16 3.942 8.341 7.853 103 HE3 LYS 16 2HE LYS 16 3.086 6.806 7.992 104 HZ1 LYS 16 1HZ LYS 16 2.913 7.000 10.249 105 HZ2 LYS 16 2HZ LYS 16 2.828 8.631 9.809 106 HZ3 LYS 16 3HZ LYS 16 4.277 7.989 10.399 107 H THR 17 H THR 17 7.550 5.351 6.960 108 HA THR 17 HA THR 17 5.550 4.643 4.929 109 HB THR 17 HB THR 17 7.719 4.108 3.944 110 HG1 THR 17 1HG THR 17 6.033 2.657 3.500 111 HG21 THR 17 1HG2 THR 17 8.246 3.086 6.629 112 HG22 THR 17 2HG2 THR 17 9.372 3.603 5.373 113 HG23 THR 17 3HG2 THR 17 8.717 1.966 5.351 114 H LYS 18 H LYS 18 4.727 2.372 5.269 115 HA LYS 18 HA LYS 18 4.770 1.611 8.109 116 HB2 LYS 18 1HB LYS 18 2.390 1.295 8.140 117 HB3 LYS 18 2HB LYS 18 2.715 2.925 7.566 118 HG2 LYS 18 1HG LYS 18 1.127 2.294 6.068 119 HG3 LYS 18 2HG LYS 18 2.573 1.757 5.209 120 HD2 LYS 18 1HD LYS 18 1.305 -0.138 5.049 121 HD3 LYS 18 2HD LYS 18 2.126 -0.461 6.578 122 HE2 LYS 18 1HE LYS 18 -0.221 -0.945 6.819 123 HE3 LYS 18 2HE LYS 18 0.178 0.481 7.776 124 HZ1 LYS 18 1HZ LYS 18 -0.785 0.868 5.036 125 HZ2 LYS 18 2HZ LYS 18 -0.990 1.849 6.399 126 HZ3 LYS 18 3HZ LYS 18 -1.910 0.440 6.225 127 H GLU 19 H GLU 19 4.084 -0.612 8.510 128 HA GLU 19 HA GLU 19 4.907 -2.357 6.306 129 HB2 GLU 19 1HB GLU 19 6.209 -2.941 8.115 130 HB3 GLU 19 2HB GLU 19 4.943 -2.579 9.279 131 HG2 GLU 19 1HG GLU 19 4.521 -4.856 7.424 132 HG3 GLU 19 2HG GLU 19 5.680 -5.052 8.737 133 H ALA 20 H ALA 20 3.309 -3.142 5.110 134 HA ALA 20 HA ALA 20 0.825 -3.974 6.463 135 HB1 ALA 20 1HB ALA 20 -0.378 -2.770 5.039 136 HB2 ALA 20 2HB ALA 20 1.123 -2.087 4.412 137 HB3 ALA 20 3HB ALA 20 0.423 -3.519 3.658 138 H SER 21 H SER 21 -0.374 -5.699 5.268 139 HA SER 21 HA SER 21 1.521 -7.760 4.439 140 HB2 SER 21 1HB SER 21 -1.416 -7.945 5.151 141 HB3 SER 21 2HB SER 21 -0.383 -9.316 4.751 142 HG SER 21 HG SER 21 -0.395 -7.693 7.033 143 H GLU 22 H GLU 22 0.634 -9.324 2.724 144 HA GLU 22 HA GLU 22 0.481 -7.991 0.278 145 HB2 GLU 22 1HB GLU 22 0.047 -10.803 1.169 146 HB3 GLU 22 2HB GLU 22 -0.483 -10.358 -0.447 147 HG2 GLU 22 1HG GLU 22 1.838 -9.477 -0.847 148 HG3 GLU 22 2HG GLU 22 2.299 -10.235 0.677 149 H GLY 23 H GLY 23 -1.160 -7.343 -1.027 150 HA2 GLY 23 1HA GLY 23 -3.359 -7.153 -1.801 151 HA3 GLY 23 2HA GLY 23 -3.903 -8.094 -0.420 152 H ALA 24 H ALA 24 -2.222 -6.211 1.308 153 HA ALA 24 HA ALA 24 -4.361 -4.428 1.949 154 HB1 ALA 24 1HB ALA 24 -3.177 -3.898 3.849 155 HB2 ALA 24 2HB ALA 24 -2.548 -5.507 3.489 156 HB3 ALA 24 3HB ALA 24 -1.612 -4.077 3.055 157 H THR 25 H THR 25 -3.416 -2.043 2.562 158 HA THR 25 HA THR 25 -2.277 -0.980 0.059 159 HB THR 25 HB THR 25 -4.289 0.448 1.803 160 HG1 THR 25 1HG THR 25 -5.594 -0.022 -0.236 161 HG21 THR 25 1HG2 THR 25 -3.369 1.039 -1.011 162 HG22 THR 25 2HG2 THR 25 -2.754 1.851 0.429 163 HG23 THR 25 3HG2 THR 25 -4.452 2.014 -0.019 164 H ALA 26 H ALA 26 -0.305 -0.217 0.422 165 HA ALA 26 HA ALA 26 0.614 0.513 3.031 166 HB1 ALA 26 1HB ALA 26 2.391 -0.297 1.896 167 HB2 ALA 26 2HB ALA 26 1.794 0.271 0.336 168 HB3 ALA 26 3HB ALA 26 2.585 1.396 1.441 169 H THR 27 H THR 27 0.717 2.465 3.959 170 HA THR 27 HA THR 27 0.026 4.811 2.312 171 HB THR 27 HB THR 27 -0.596 4.495 5.251 172 HG1 THR 27 1HG THR 27 -2.160 3.968 2.940 173 HG21 THR 27 1HG2 THR 27 -2.092 6.363 3.523 174 HG22 THR 27 2HG2 THR 27 -0.405 6.780 3.826 175 HG23 THR 27 3HG2 THR 27 -1.516 6.562 5.177 176 H LEU 28 H LEU 28 1.676 6.161 2.098 177 HA LEU 28 HA LEU 28 3.628 6.362 4.296 178 HB2 LEU 28 1HB LEU 28 4.062 6.931 1.368 179 HB3 LEU 28 2HB LEU 28 5.280 7.009 2.639 180 HG LEU 28 HG LEU 28 4.555 4.454 2.920 181 HD11 LEU 28 1HD1 LEU 28 3.139 5.172 0.646 182 HD12 LEU 28 2HD1 LEU 28 3.486 3.535 1.202 183 HD13 LEU 28 3HD1 LEU 28 4.552 4.314 0.032 184 HD21 LEU 28 1HD2 LEU 28 6.516 3.869 1.677 185 HD22 LEU 28 2HD2 LEU 28 6.818 5.404 2.492 186 HD23 LEU 28 3HD2 LEU 28 6.451 5.378 0.766 187 H GLN 29 H GLN 29 4.480 8.430 4.796 188 HA GLN 29 HA GLN 29 3.059 10.731 3.670 189 HB2 GLN 29 1HB GLN 29 3.267 10.050 6.603 190 HB3 GLN 29 2HB GLN 29 2.846 11.653 6.015 191 HG2 GLN 29 1HG GLN 29 0.854 10.818 4.981 192 HG3 GLN 29 2HG GLN 29 1.307 9.155 5.353 193 HE21 GLN 29 1HE2 GLN 29 -0.118 8.452 6.782 194 HE22 GLN 29 2HE2 GLN 29 -0.574 9.264 8.237 195 H CYS 30 H CYS 30 4.222 12.628 3.622 196 HA CYS 30 HA CYS 30 6.864 12.678 4.868 197 HB2 CYS 30 1HB CYS 30 7.971 13.330 2.801 198 HB3 CYS 30 2HB CYS 30 7.197 11.763 2.597 199 HG CYS 30 HG CYS 30 5.882 12.403 0.497 200 H GLU 31 H GLU 31 7.613 14.715 5.362 201 HA GLU 31 HA GLU 31 5.636 16.860 5.083 202 HB2 GLU 31 1HB GLU 31 6.779 16.054 7.322 203 HB3 GLU 31 2HB GLU 31 8.074 17.116 6.790 204 HG2 GLU 31 1HG GLU 31 6.746 19.017 6.934 205 HG3 GLU 31 2HG GLU 31 5.249 18.087 6.920 206 H LEU 32 H LEU 32 6.414 19.058 4.669 207 HA LEU 32 HA LEU 32 8.944 19.225 3.212 208 HB2 LEU 32 1HB LEU 32 6.265 20.032 2.095 209 HB3 LEU 32 2HB LEU 32 7.815 20.475 1.383 210 HG LEU 32 HG LEU 32 6.988 17.608 1.759 211 HD11 LEU 32 1HD1 LEU 32 6.590 17.952 -0.845 212 HD12 LEU 32 2HD1 LEU 32 6.145 19.568 -0.298 213 HD13 LEU 32 3HD1 LEU 32 5.301 18.158 0.342 214 HD21 LEU 32 1HD2 LEU 32 9.254 17.651 1.318 215 HD22 LEU 32 2HD2 LEU 32 9.134 19.072 0.280 216 HD23 LEU 32 3HD2 LEU 32 8.571 17.505 -0.301 217 H SER 33 H SER 33 9.648 21.437 2.834 218 HA SER 33 HA SER 33 9.275 23.070 5.115 219 HB2 SER 33 1HB SER 33 11.376 23.325 4.143 220 HB3 SER 33 2HB SER 33 10.723 23.392 2.507 221 HG SER 33 HG SER 33 10.741 25.400 4.489 222 H LYS 34 H LYS 34 7.778 22.969 1.980 223 HA LYS 34 HA LYS 34 5.684 24.718 2.813 224 HB2 LYS 34 1HB LYS 34 6.020 26.481 1.154 225 HB3 LYS 34 2HB LYS 34 7.378 26.407 2.269 226 HG2 LYS 34 1HG LYS 34 8.782 25.422 0.657 227 HG3 LYS 34 2HG LYS 34 7.425 25.052 -0.410 228 HD2 LYS 34 1HD LYS 34 7.070 27.425 -0.812 229 HD3 LYS 34 2HD LYS 34 8.376 27.827 0.306 230 HE2 LYS 34 1HE LYS 34 10.016 26.937 -1.128 231 HE3 LYS 34 2HE LYS 34 8.818 26.085 -2.102 232 HZ1 LYS 34 1HZ LYS 34 9.819 28.223 -3.031 233 HZ2 LYS 34 2HZ LYS 34 8.825 29.033 -1.927 234 HZ3 LYS 34 3HZ LYS 34 8.139 28.045 -3.117 235 H VAL 35 H VAL 35 4.099 25.096 1.000 236 HA VAL 35 HA VAL 35 3.401 22.671 -0.201 237 HB VAL 35 HB VAL 35 2.518 25.441 -1.024 238 HG11 VAL 35 1HG1 VAL 35 1.703 24.179 -2.737 239 HG12 VAL 35 2HG1 VAL 35 1.651 22.702 -1.773 240 HG13 VAL 35 3HG1 VAL 35 0.406 23.935 -1.567 241 HG21 VAL 35 1HG2 VAL 35 1.903 23.762 1.293 242 HG22 VAL 35 2HG2 VAL 35 1.674 25.495 1.054 243 HG23 VAL 35 3HG2 VAL 35 0.481 24.354 0.433 244 H ALA 36 H ALA 36 4.413 21.650 -1.790 245 HA ALA 36 HA ALA 36 5.074 23.055 -4.233 246 HB1 ALA 36 1HB ALA 36 7.243 23.302 -3.842 247 HB2 ALA 36 2HB ALA 36 7.093 22.486 -2.285 248 HB3 ALA 36 3HB ALA 36 7.394 21.547 -3.747 249 HA PRO 37 HA PRO 37 3.848 19.216 -5.990 250 HB2 PRO 37 1HB PRO 37 5.086 19.387 -8.400 251 HB3 PRO 37 2HB PRO 37 3.662 20.346 -7.981 252 HG2 PRO 37 1HG PRO 37 6.550 21.132 -7.956 253 HG3 PRO 37 2HG PRO 37 5.147 22.047 -8.539 254 HD2 PRO 37 1HD PRO 37 6.286 22.507 -6.126 255 HD3 PRO 37 2HD PRO 37 4.549 22.722 -6.418 256 H VAL 38 H VAL 38 4.545 17.160 -5.913 257 HA VAL 38 HA VAL 38 7.451 16.671 -5.987 258 HB VAL 38 HB VAL 38 7.202 14.928 -4.317 259 HG11 VAL 38 1HG1 VAL 38 7.418 17.459 -3.751 260 HG12 VAL 38 2HG1 VAL 38 5.783 17.266 -3.114 261 HG13 VAL 38 3HG1 VAL 38 7.105 16.298 -2.462 262 HG21 VAL 38 1HG2 VAL 38 5.251 14.051 -3.649 263 HG22 VAL 38 2HG2 VAL 38 4.487 15.632 -3.489 264 HG23 VAL 38 3HG2 VAL 38 4.572 14.850 -5.068 265 H GLU 39 H GLU 39 7.648 14.042 -6.028 266 HA GLU 39 HA GLU 39 5.753 12.844 -7.854 267 HB2 GLU 39 1HB GLU 39 7.188 14.109 -9.387 268 HB3 GLU 39 2HB GLU 39 8.612 13.332 -8.708 269 HG2 GLU 39 1HG GLU 39 7.838 11.173 -9.514 270 HG3 GLU 39 2HG GLU 39 6.386 11.929 -10.168 271 H TRP 40 H TRP 40 5.439 10.932 -6.940 272 HA TRP 40 HA TRP 40 7.414 9.668 -5.295 273 HB2 TRP 40 1HB TRP 40 4.761 8.626 -6.313 274 HB3 TRP 40 2HB TRP 40 5.743 7.868 -5.063 275 HD1 TRP 40 HD TRP 40 3.655 11.055 -5.667 276 HE1 TRP 40 1HE TRP 40 2.899 11.965 -3.381 277 HE3 TRP 40 3HE TRP 40 6.218 7.843 -2.626 278 HZ2 TRP 40 2HZ TRP 40 3.332 11.397 -0.651 279 HZ3 TRP 40 3HZ TRP 40 5.993 8.093 -0.189 280 HH2 TRP 40 HH TRP 40 4.580 9.835 0.777 281 H LYS 41 H LYS 41 8.717 7.958 -5.734 282 HA LYS 41 HA LYS 41 8.541 6.737 -8.402 283 HB2 LYS 41 1HB LYS 41 10.832 8.183 -7.178 284 HB3 LYS 41 2HB LYS 41 11.201 6.723 -8.087 285 HG2 LYS 41 1HG LYS 41 9.623 7.889 -9.871 286 HG3 LYS 41 2HG LYS 41 10.174 9.338 -9.025 287 HD2 LYS 41 1HD LYS 41 12.510 8.619 -9.384 288 HD3 LYS 41 2HD LYS 41 11.919 7.228 -10.296 289 HE2 LYS 41 1HE LYS 41 11.163 8.545 -12.054 290 HE3 LYS 41 2HE LYS 41 11.103 10.003 -11.065 291 HZ1 LYS 41 1HZ LYS 41 13.737 8.857 -11.321 292 HZ2 LYS 41 2HZ LYS 41 13.235 10.464 -11.486 293 HZ3 LYS 41 3HZ LYS 41 13.080 9.392 -12.786 294 H LYS 42 H LYS 42 9.153 4.591 -8.535 295 HA LYS 42 HA LYS 42 9.631 3.262 -5.949 296 HB2 LYS 42 1HB LYS 42 7.447 2.762 -7.064 297 HB3 LYS 42 2HB LYS 42 8.343 2.077 -8.414 298 HG2 LYS 42 1HG LYS 42 9.128 0.283 -7.129 299 HG3 LYS 42 2HG LYS 42 8.698 1.073 -5.610 300 HD2 LYS 42 1HD LYS 42 6.485 0.529 -5.796 301 HD3 LYS 42 2HD LYS 42 6.523 0.520 -7.561 302 HE2 LYS 42 1HE LYS 42 8.121 -1.552 -7.142 303 HE3 LYS 42 2HE LYS 42 7.226 -1.625 -5.625 304 HZ1 LYS 42 1HZ LYS 42 6.262 -2.017 -8.371 305 HZ2 LYS 42 2HZ LYS 42 5.188 -1.424 -7.206 306 HZ3 LYS 42 3HZ LYS 42 5.939 -2.923 -6.979 307 H GLY 43 H GLY 43 11.526 4.358 -8.070 308 HA2 GLY 43 1HA GLY 43 13.739 2.979 -7.834 309 HA3 GLY 43 2HA GLY 43 12.867 1.886 -8.898 310 HA PRO 44 HA PRO 44 15.216 4.510 -11.770 311 HB2 PRO 44 1HB PRO 44 15.294 2.641 -13.738 312 HB3 PRO 44 2HB PRO 44 16.426 2.654 -12.380 313 HG2 PRO 44 1HG PRO 44 13.955 1.010 -12.770 314 HG3 PRO 44 2HG PRO 44 15.541 0.516 -12.150 315 HD2 PRO 44 1HD PRO 44 13.437 1.034 -10.525 316 HD3 PRO 44 2HD PRO 44 15.116 1.351 -10.043 317 H GLU 45 H GLU 45 12.077 3.579 -11.566 318 HA GLU 45 HA GLU 45 11.398 4.761 -14.179 319 HB2 GLU 45 1HB GLU 45 10.234 2.477 -12.673 320 HB3 GLU 45 2HB GLU 45 9.118 3.508 -13.557 321 HG2 GLU 45 1HG GLU 45 9.904 2.861 -15.591 322 HG3 GLU 45 2HG GLU 45 11.528 2.539 -14.985 323 H THR 46 H THR 46 8.984 5.594 -14.054 324 HA THR 46 HA THR 46 8.749 7.229 -11.611 325 HB THR 46 HB THR 46 7.818 8.135 -14.331 326 HG1 THR 46 1HG THR 46 10.057 7.904 -14.474 327 HG21 THR 46 1HG2 THR 46 8.417 9.597 -11.757 328 HG22 THR 46 2HG2 THR 46 6.819 9.282 -12.435 329 HG23 THR 46 3HG2 THR 46 7.936 10.360 -13.271 330 H LEU 47 H LEU 47 6.627 7.780 -10.930 331 HA LEU 47 HA LEU 47 4.531 6.014 -12.013 332 HB2 LEU 47 1HB LEU 47 4.790 6.972 -9.169 333 HB3 LEU 47 2HB LEU 47 3.604 5.830 -9.798 334 HG LEU 47 HG LEU 47 6.540 5.220 -9.890 335 HD11 LEU 47 1HD1 LEU 47 5.243 5.757 -7.527 336 HD12 LEU 47 2HD1 LEU 47 6.680 4.752 -7.715 337 HD13 LEU 47 3HD1 LEU 47 5.082 4.007 -7.684 338 HD21 LEU 47 1HD2 LEU 47 5.032 2.945 -9.392 339 HD22 LEU 47 2HD2 LEU 47 5.726 3.433 -10.938 340 HD23 LEU 47 3HD2 LEU 47 4.064 3.871 -10.539 341 H ARG 48 H ARG 48 2.300 6.904 -10.947 342 HA ARG 48 HA ARG 48 2.142 9.796 -11.084 343 HB2 ARG 48 1HB ARG 48 1.184 7.994 -13.246 344 HB3 ARG 48 2HB ARG 48 0.140 9.336 -12.798 345 HG2 ARG 48 1HG ARG 48 3.029 9.824 -13.369 346 HG3 ARG 48 2HG ARG 48 1.881 9.628 -14.695 347 HD2 ARG 48 1HD ARG 48 1.380 11.550 -12.445 348 HD3 ARG 48 2HD ARG 48 2.347 12.002 -13.849 349 HE ARG 48 HE ARG 48 -0.110 10.907 -14.692 350 HH11 ARG 48 2HH1 ARG 48 1.225 13.758 -13.207 351 HH12 ARG 48 1HH1 ARG 48 -0.015 14.809 -13.806 352 HH21 ARG 48 2HH2 ARG 48 -1.748 12.281 -15.487 353 HH22 ARG 48 1HH2 ARG 48 -1.706 13.968 -15.102 354 H ASP 49 H ASP 49 -0.438 10.298 -11.139 355 HA ASP 49 HA ASP 49 -1.539 8.699 -8.925 356 HB2 ASP 49 1HB ASP 49 -1.210 10.920 -8.164 357 HB3 ASP 49 2HB ASP 49 -1.859 11.607 -9.651 358 H GLY 50 H GLY 50 -2.917 7.241 -9.738 359 HA2 GLY 50 1HA GLY 50 -5.429 7.741 -10.604 360 HA3 GLY 50 2HA GLY 50 -4.497 7.807 -12.092 361 H GLY 51 H GLY 51 -5.653 5.763 -9.508 362 HA2 GLY 51 1HA GLY 51 -6.400 3.528 -10.306 363 HA3 GLY 51 2HA GLY 51 -4.837 3.411 -11.102 364 H ARG 52 H ARG 52 -4.054 1.634 -10.060 365 HA ARG 52 HA ARG 52 -4.306 0.831 -7.480 366 HB2 ARG 52 1HB ARG 52 -1.978 0.646 -9.370 367 HB3 ARG 52 2HB ARG 52 -1.872 -0.027 -7.749 368 HG2 ARG 52 1HG ARG 52 -4.020 -1.287 -8.330 369 HG3 ARG 52 2HG ARG 52 -3.669 -0.843 -10.001 370 HD2 ARG 52 1HD ARG 52 -1.572 -2.135 -8.302 371 HD3 ARG 52 2HD ARG 52 -2.820 -3.114 -9.073 372 HE ARG 52 HE ARG 52 -1.910 -1.696 -11.142 373 HH11 ARG 52 2HH1 ARG 52 -0.225 -3.433 -8.639 374 HH12 ARG 52 1HH1 ARG 52 1.137 -3.814 -9.640 375 HH21 ARG 52 2HH2 ARG 52 -0.123 -2.191 -12.469 376 HH22 ARG 52 1HH2 ARG 52 1.195 -3.106 -11.818 377 H TYR 53 H TYR 53 -2.260 3.414 -8.680 378 HA TYR 53 HA TYR 53 -1.197 3.876 -5.989 379 HB2 TYR 53 1HB TYR 53 -0.430 5.121 -8.637 380 HB3 TYR 53 2HB TYR 53 0.352 5.449 -7.095 381 HD1 TYR 53 1HD TYR 53 1.191 3.248 -5.836 382 HD2 TYR 53 2HD TYR 53 0.562 3.576 -10.031 383 HE1 TYR 53 1HE TYR 53 2.724 1.361 -6.207 384 HE2 TYR 53 2HE TYR 53 2.092 1.689 -10.414 385 HH TYR 53 HH TYR 53 3.958 0.570 -9.263 386 H SER 54 H SER 54 -2.216 5.261 -4.719 387 HA SER 54 HA SER 54 -3.590 7.558 -5.950 388 HB2 SER 54 1HB SER 54 -4.561 5.592 -3.938 389 HB3 SER 54 2HB SER 54 -5.033 7.276 -3.711 390 HG SER 54 HG SER 54 -6.557 6.248 -4.998 391 H LEU 55 H LEU 55 -2.665 9.402 -5.384 392 HA LEU 55 HA LEU 55 -1.585 9.665 -2.659 393 HB2 LEU 55 1HB LEU 55 0.047 11.323 -3.922 394 HB3 LEU 55 2HB LEU 55 0.411 9.610 -3.728 395 HG LEU 55 HG LEU 55 -1.009 10.481 -6.196 396 HD11 LEU 55 1HD1 LEU 55 1.559 10.618 -7.009 397 HD12 LEU 55 2HD1 LEU 55 1.692 11.335 -5.404 398 HD13 LEU 55 3HD1 LEU 55 0.580 12.023 -6.586 399 HD21 LEU 55 1HD2 LEU 55 -0.523 8.096 -5.628 400 HD22 LEU 55 2HD2 LEU 55 1.196 8.476 -5.748 401 HD23 LEU 55 3HD2 LEU 55 0.156 8.635 -7.164 402 H LYS 56 H LYS 56 -1.762 11.700 -1.705 403 HA LYS 56 HA LYS 56 -3.284 13.727 -3.188 404 HB2 LYS 56 1HB LYS 56 -4.911 12.514 -1.857 405 HB3 LYS 56 2HB LYS 56 -3.922 12.704 -0.416 406 HG2 LYS 56 1HG LYS 56 -5.509 14.335 -0.117 407 HG3 LYS 56 2HG LYS 56 -4.204 15.246 -0.881 408 HD2 LYS 56 1HD LYS 56 -5.332 15.455 -2.870 409 HD3 LYS 56 2HD LYS 56 -6.273 13.984 -2.615 410 HE2 LYS 56 1HE LYS 56 -7.852 15.656 -2.328 411 HE3 LYS 56 2HE LYS 56 -7.360 15.301 -0.673 412 HZ1 LYS 56 1HZ LYS 56 -5.949 17.215 -0.669 413 HZ2 LYS 56 2HZ LYS 56 -7.489 17.699 -1.174 414 HZ3 LYS 56 3HZ LYS 56 -6.247 17.515 -2.307 415 H GLN 57 H GLN 57 -2.843 15.847 -2.651 416 HA GLN 57 HA GLN 57 -0.497 16.227 -0.925 417 HB2 GLN 57 1HB GLN 57 -0.211 16.948 -3.243 418 HB3 GLN 57 2HB GLN 57 -1.619 17.991 -3.109 419 HG2 GLN 57 1HG GLN 57 -0.518 19.563 -1.885 420 HG3 GLN 57 2HG GLN 57 0.597 18.393 -1.180 421 HE21 GLN 57 1HE2 GLN 57 2.578 18.945 -1.729 422 HE22 GLN 57 2HE2 GLN 57 3.106 19.403 -3.309 423 H ASP 58 H ASP 58 -0.906 16.956 1.044 424 HA ASP 58 HA ASP 58 -3.207 18.755 1.433 425 HB2 ASP 58 1HB ASP 58 -2.092 16.534 3.070 426 HB3 ASP 58 2HB ASP 58 -2.750 17.922 3.932 427 H GLY 59 H GLY 59 -2.164 20.701 1.102 428 HA2 GLY 59 1HA GLY 59 -0.895 22.536 1.639 429 HA3 GLY 59 2HA GLY 59 -0.911 21.910 3.281 430 H THR 60 H THR 60 0.937 21.167 4.133 431 HA THR 60 HA THR 60 3.264 20.990 2.339 432 HB THR 60 HB THR 60 4.622 21.350 4.428 433 HG1 THR 60 1HG THR 60 2.276 22.348 5.630 434 HG21 THR 60 1HG2 THR 60 4.570 23.624 4.171 435 HG22 THR 60 2HG2 THR 60 2.808 23.696 4.186 436 HG23 THR 60 3HG2 THR 60 3.657 23.154 2.738 437 H ARG 61 H ARG 61 1.252 18.871 3.098 438 HA ARG 61 HA ARG 61 3.227 16.849 3.868 439 HB2 ARG 61 1HB ARG 61 0.701 17.514 5.290 440 HB3 ARG 61 2HB ARG 61 1.110 15.811 5.126 441 HG2 ARG 61 1HG ARG 61 3.392 16.453 6.081 442 HG3 ARG 61 2HG ARG 61 2.621 17.970 6.549 443 HD2 ARG 61 1HD ARG 61 0.801 16.319 7.530 444 HD3 ARG 61 2HD ARG 61 2.173 15.212 7.563 445 HE ARG 61 HE ARG 61 2.908 16.331 9.398 446 HH11 ARG 61 2HH1 ARG 61 0.958 18.507 7.505 447 HH12 ARG 61 1HH1 ARG 61 1.097 19.818 8.630 448 HH21 ARG 61 2HH2 ARG 61 3.098 18.049 10.886 449 HH22 ARG 61 1HH2 ARG 61 2.316 19.556 10.552 450 H CYS 62 H CYS 62 3.174 15.115 2.586 451 HA CYS 62 HA CYS 62 0.875 14.817 0.776 452 HB2 CYS 62 1HB CYS 62 3.716 13.824 0.465 453 HB3 CYS 62 2HB CYS 62 2.422 13.587 -0.703 454 HG CYS 62 HG CYS 62 3.915 16.542 0.142 455 H GLU 63 H GLU 63 0.205 12.641 0.209 456 HA GLU 63 HA GLU 63 0.949 10.549 2.109 457 HB2 GLU 63 1HB GLU 63 -1.039 11.767 3.025 458 HB3 GLU 63 2HB GLU 63 -1.933 11.293 1.587 459 HG2 GLU 63 1HG GLU 63 -1.644 8.947 2.164 460 HG3 GLU 63 2HG GLU 63 -0.717 9.405 3.591 461 H LEU 64 H LEU 64 1.530 8.878 0.903 462 HA LEU 64 HA LEU 64 0.245 8.469 -1.700 463 HB2 LEU 64 1HB LEU 64 2.628 8.595 -1.817 464 HB3 LEU 64 2HB LEU 64 2.806 7.418 -0.517 465 HG LEU 64 HG LEU 64 1.785 5.713 -2.056 466 HD11 LEU 64 1HD1 LEU 64 1.542 6.137 -4.350 467 HD12 LEU 64 2HD1 LEU 64 2.388 7.680 -4.243 468 HD13 LEU 64 3HD1 LEU 64 0.776 7.509 -3.549 469 HD21 LEU 64 1HD2 LEU 64 4.211 6.745 -3.414 470 HD22 LEU 64 2HD2 LEU 64 3.837 5.120 -2.838 471 HD23 LEU 64 3HD2 LEU 64 4.334 6.369 -1.695 472 H GLN 65 H GLN 65 -0.895 6.663 -2.189 473 HA GLN 65 HA GLN 65 -1.101 4.583 -0.115 474 HB2 GLN 65 1HB GLN 65 -3.263 6.091 -1.524 475 HB3 GLN 65 2HB GLN 65 -3.553 4.417 -1.073 476 HG2 GLN 65 1HG GLN 65 -3.045 4.965 1.259 477 HG3 GLN 65 2HG GLN 65 -2.787 6.647 0.798 478 HE21 GLN 65 1HE2 GLN 65 -4.469 6.941 2.468 479 HE22 GLN 65 2HE2 GLN 65 -6.123 6.863 1.976 480 H ILE 66 H ILE 66 -0.398 2.716 -0.888 481 HA ILE 66 HA ILE 66 -0.619 2.193 -3.770 482 HB ILE 66 HB ILE 66 1.058 0.645 -1.803 483 HG12 ILE 66 1HG1 ILE 66 2.222 2.716 -3.623 484 HG13 ILE 66 2HG1 ILE 66 1.510 3.226 -2.096 485 HG21 ILE 66 1HG2 ILE 66 1.335 -0.678 -3.569 486 HG22 ILE 66 2HG2 ILE 66 0.495 0.454 -4.628 487 HG23 ILE 66 3HG2 ILE 66 2.222 0.644 -4.328 488 HD11 ILE 66 1HD1 ILE 66 4.048 1.934 -2.628 489 HD12 ILE 66 2HD1 ILE 66 3.507 2.837 -1.213 490 HD13 ILE 66 3HD1 ILE 66 3.122 1.123 -1.366 491 H HIS 67 H HIS 67 -2.703 1.411 -3.917 492 HA HIS 67 HA HIS 67 -3.754 -0.568 -2.156 493 HB2 HIS 67 1HB HIS 67 -4.703 0.193 -4.925 494 HB3 HIS 67 2HB HIS 67 -5.629 -0.682 -3.709 495 HD1 HIS 67 1HD HIS 67 -6.930 0.688 -2.062 496 HD2 HIS 67 2HD HIS 67 -4.211 2.961 -4.230 497 HE1 HIS 67 1HE HIS 67 -7.432 3.080 -1.470 498 HE2 HIS 67 2HE HIS 67 -5.831 4.441 -2.859 499 H ASP 68 H ASP 68 -4.236 -2.759 -2.631 500 HA ASP 68 HA ASP 68 -3.774 -4.859 -3.374 501 HB2 ASP 68 1HB ASP 68 -4.371 -3.557 -5.604 502 HB3 ASP 68 2HB ASP 68 -2.666 -3.834 -5.951 503 H LEU 69 H LEU 69 -1.924 -3.991 -1.711 504 HA LEU 69 HA LEU 69 0.709 -3.760 -2.611 505 HB2 LEU 69 1HB LEU 69 -0.577 -4.546 -0.047 506 HB3 LEU 69 2HB LEU 69 1.148 -4.848 -0.242 507 HG LEU 69 HG LEU 69 -0.272 -2.191 -0.283 508 HD11 LEU 69 1HD1 LEU 69 0.978 -3.726 1.748 509 HD12 LEU 69 2HD1 LEU 69 0.285 -2.109 1.858 510 HD13 LEU 69 3HD1 LEU 69 1.984 -2.312 1.432 511 HD21 LEU 69 1HD2 LEU 69 1.290 -1.663 -1.829 512 HD22 LEU 69 2HD2 LEU 69 2.347 -3.002 -1.381 513 HD23 LEU 69 3HD2 LEU 69 2.325 -1.531 -0.407 514 H SER 70 H SER 70 2.459 -5.303 -2.494 515 HA SER 70 HA SER 70 1.839 -8.120 -2.426 516 HB2 SER 70 1HB SER 70 2.291 -6.669 -4.988 517 HB3 SER 70 2HB SER 70 3.044 -8.253 -4.807 518 HG SER 70 HG SER 70 0.345 -7.948 -4.122 519 H VAL 71 H VAL 71 3.589 -9.333 -1.903 520 HA VAL 71 HA VAL 71 5.769 -8.352 -0.650 521 HB VAL 71 HB VAL 71 6.981 -10.471 -1.277 522 HG11 VAL 71 1HG1 VAL 71 5.819 -11.640 0.283 523 HG12 VAL 71 2HG1 VAL 71 5.045 -10.072 0.517 524 HG13 VAL 71 3HG1 VAL 71 4.259 -11.307 -0.468 525 HG21 VAL 71 1HG2 VAL 71 5.494 -12.180 -2.431 526 HG22 VAL 71 2HG2 VAL 71 4.516 -10.813 -2.965 527 HG23 VAL 71 3HG2 VAL 71 6.207 -10.932 -3.454 528 H ALA 72 H ALA 72 5.372 -8.705 -4.116 529 HA ALA 72 HA ALA 72 8.057 -8.267 -4.866 530 HB1 ALA 72 1HB ALA 72 7.310 -8.300 -7.014 531 HB2 ALA 72 2HB ALA 72 5.914 -9.039 -6.228 532 HB3 ALA 72 3HB ALA 72 5.883 -7.328 -6.653 533 H ASP 73 H ASP 73 5.336 -6.062 -4.360 534 HA ASP 73 HA ASP 73 6.614 -3.718 -5.254 535 HB2 ASP 73 1HB ASP 73 4.299 -4.226 -3.398 536 HB3 ASP 73 2HB ASP 73 4.881 -2.592 -3.709 537 H ALA 74 H ALA 74 7.167 -5.626 -2.522 538 HA ALA 74 HA ALA 74 7.943 -3.643 -0.652 539 HB1 ALA 74 1HB ALA 74 7.481 -6.249 -0.419 540 HB2 ALA 74 2HB ALA 74 9.237 -6.309 -0.571 541 HB3 ALA 74 3HB ALA 74 8.496 -5.367 0.723 542 H GLY 75 H GLY 75 9.436 -2.170 -1.236 543 HA2 GLY 75 1HA GLY 75 12.147 -3.069 -1.652 544 HA3 GLY 75 2HA GLY 75 11.441 -2.284 -3.057 545 H GLU 76 H GLU 76 11.783 -0.176 -3.221 546 HA GLU 76 HA GLU 76 11.963 1.440 -0.786 547 HB2 GLU 76 1HB GLU 76 14.251 1.113 -1.163 548 HB3 GLU 76 2HB GLU 76 14.069 1.180 -2.910 549 HG2 GLU 76 1HG GLU 76 13.403 3.608 -1.337 550 HG3 GLU 76 2HG GLU 76 15.101 3.178 -1.539 551 H TYR 77 H TYR 77 11.089 3.440 -0.965 552 HA TYR 77 HA TYR 77 10.198 4.287 -3.643 553 HB2 TYR 77 1HB TYR 77 8.699 4.537 -1.027 554 HB3 TYR 77 2HB TYR 77 8.180 5.243 -2.554 555 HD1 TYR 77 1HD TYR 77 8.980 1.981 -0.948 556 HD2 TYR 77 2HD TYR 77 6.858 4.007 -4.030 557 HE1 TYR 77 1HE TYR 77 7.812 -0.109 -1.510 558 HE2 TYR 77 2HE TYR 77 5.684 1.923 -4.599 559 HH TYR 77 HH TYR 77 5.392 -0.219 -4.111 560 H SER 78 H SER 78 11.004 6.175 -4.245 561 HA SER 78 HA SER 78 11.932 8.039 -2.163 562 HB2 SER 78 1HB SER 78 12.851 7.992 -5.040 563 HB3 SER 78 2HB SER 78 13.601 8.824 -3.678 564 HG SER 78 HG SER 78 13.693 6.487 -2.835 565 H CYS 79 H CYS 79 11.440 10.220 -2.316 566 HA CYS 79 HA CYS 79 9.420 10.938 -4.336 567 HB2 CYS 79 1HB CYS 79 8.387 10.629 -2.119 568 HB3 CYS 79 2HB CYS 79 9.493 11.818 -1.443 569 HG CYS 79 HG CYS 79 6.901 12.354 -3.592 570 H MET 80 H MET 80 10.117 12.488 -5.636 571 HA MET 80 HA MET 80 12.296 14.226 -4.766 572 HB2 MET 80 1HB MET 80 11.042 13.954 -7.503 573 HB3 MET 80 2HB MET 80 12.518 14.828 -7.114 574 HG2 MET 80 1HG MET 80 13.504 12.660 -6.361 575 HG3 MET 80 2HG MET 80 12.067 11.859 -6.994 576 HE1 MET 80 1HE MET 80 14.216 10.721 -9.871 577 HE2 MET 80 2HE MET 80 14.794 10.777 -8.206 578 HE3 MET 80 3HE MET 80 13.122 10.329 -8.544 579 H CYS 81 H CYS 81 11.980 16.261 -4.152 580 HA CYS 81 HA CYS 81 9.529 17.636 -5.019 581 HB2 CYS 81 1HB CYS 81 9.087 16.971 -2.763 582 HB3 CYS 81 2HB CYS 81 10.677 17.503 -2.230 583 HG CYS 81 HG CYS 81 8.203 19.122 -1.580 584 H GLY 82 H GLY 82 10.533 18.931 -6.514 585 HA2 GLY 82 1HA GLY 82 11.532 20.912 -7.163 586 HA3 GLY 82 2HA GLY 82 11.951 21.204 -5.481 587 H GLN 83 H GLN 83 13.863 20.204 -4.624 588 HA GLN 83 HA GLN 83 15.773 19.322 -6.680 589 HB2 GLN 83 1HB GLN 83 16.026 21.528 -4.697 590 HB3 GLN 83 2HB GLN 83 17.457 20.562 -5.031 591 HG2 GLN 83 1HG GLN 83 16.839 21.043 -7.522 592 HG3 GLN 83 2HG GLN 83 15.942 22.391 -6.826 593 HE21 GLN 83 1HE2 GLN 83 18.486 22.074 -8.478 594 HE22 GLN 83 2HE2 GLN 83 19.631 23.073 -7.657 595 H GLU 84 H GLU 84 14.877 19.350 -3.268 596 HA GLU 84 HA GLU 84 16.840 17.468 -2.440 597 HB2 GLU 84 1HB GLU 84 14.263 18.425 -1.204 598 HB3 GLU 84 2HB GLU 84 15.286 17.223 -0.430 599 HG2 GLU 84 1HG GLU 84 15.572 19.623 0.314 600 HG3 GLU 84 2HG GLU 84 17.037 18.744 -0.120 601 H ARG 85 H ARG 85 15.913 15.411 -1.213 602 HA ARG 85 HA ARG 85 13.758 14.051 -2.509 603 HB2 ARG 85 1HB ARG 85 15.431 13.824 -4.271 604 HB3 ARG 85 2HB ARG 85 16.584 13.166 -3.118 605 HG2 ARG 85 1HG ARG 85 15.292 11.184 -2.842 606 HG3 ARG 85 2HG ARG 85 13.952 11.864 -3.767 607 HD2 ARG 85 1HD ARG 85 15.132 10.346 -5.186 608 HD3 ARG 85 2HD ARG 85 15.473 11.985 -5.740 609 HE ARG 85 HE ARG 85 17.677 11.716 -5.120 610 HH11 ARG 85 2HH1 ARG 85 15.767 9.061 -3.926 611 HH12 ARG 85 1HH1 ARG 85 17.141 8.108 -3.471 612 HH21 ARG 85 2HH2 ARG 85 19.493 10.471 -4.524 613 HH22 ARG 85 1HH2 ARG 85 19.259 8.911 -3.810 614 H THR 86 H THR 86 13.175 12.145 -1.458 615 HA THR 86 HA THR 86 14.828 11.318 0.822 616 HB THR 86 HB THR 86 13.128 12.877 1.693 617 HG1 THR 86 1HG THR 86 12.778 10.131 2.373 618 HG21 THR 86 1HG2 THR 86 11.334 12.655 0.151 619 HG22 THR 86 2HG2 THR 86 10.736 12.049 1.696 620 HG23 THR 86 3HG2 THR 86 11.218 10.918 0.431 621 H SER 87 H SER 87 14.620 9.166 1.428 622 HA SER 87 HA SER 87 13.016 7.497 -0.397 623 HB2 SER 87 1HB SER 87 14.753 5.751 -0.127 624 HB3 SER 87 2HB SER 87 15.402 7.227 -0.840 625 HG SER 87 HG SER 87 15.500 6.913 1.941 626 H ALA 88 H ALA 88 12.087 5.589 0.457 627 HA ALA 88 HA ALA 88 12.191 5.149 3.326 628 HB1 ALA 88 1HB ALA 88 9.448 5.116 2.839 629 HB2 ALA 88 2HB ALA 88 10.348 6.302 3.785 630 HB3 ALA 88 3HB ALA 88 10.032 6.595 2.075 631 H THR 89 H THR 89 12.645 3.046 3.369 632 HA THR 89 HA THR 89 11.832 1.224 1.327 633 HB THR 89 HB THR 89 12.972 0.588 4.055 634 HG1 THR 89 1HG THR 89 14.155 1.337 1.600 635 HG21 THR 89 1HG2 THR 89 13.719 -1.220 1.961 636 HG22 THR 89 2HG2 THR 89 11.962 -1.088 2.024 637 HG23 THR 89 3HG2 THR 89 12.864 -1.557 3.465 638 H LEU 90 H LEU 90 9.920 0.277 1.136 639 HA LEU 90 HA LEU 90 8.045 0.315 3.351 640 HB2 LEU 90 1HB LEU 90 7.156 0.950 1.242 641 HB3 LEU 90 2HB LEU 90 7.815 -0.486 0.461 642 HG LEU 90 HG LEU 90 6.214 -1.780 2.035 643 HD11 LEU 90 1HD1 LEU 90 4.434 -0.683 2.982 644 HD12 LEU 90 2HD1 LEU 90 4.570 0.703 1.901 645 HD13 LEU 90 3HD1 LEU 90 5.722 0.498 3.220 646 HD21 LEU 90 1HD2 LEU 90 4.844 -2.026 0.256 647 HD22 LEU 90 2HD2 LEU 90 6.095 -1.084 -0.556 648 HD23 LEU 90 3HD2 LEU 90 4.636 -0.288 0.035 649 H THR 91 H THR 91 6.929 -1.558 4.100 650 HA THR 91 HA THR 91 8.462 -4.052 3.750 651 HB THR 91 HB THR 91 7.111 -2.959 6.216 652 HG1 THR 91 1HG THR 91 9.115 -2.439 6.619 653 HG21 THR 91 1HG2 THR 91 7.947 -5.159 7.242 654 HG22 THR 91 2HG2 THR 91 7.998 -5.760 5.584 655 HG23 THR 91 3HG2 THR 91 6.472 -5.214 6.279 656 H VAL 92 H VAL 92 7.382 -5.729 2.949 657 HA VAL 92 HA VAL 92 4.435 -5.667 3.042 658 HB VAL 92 HB VAL 92 6.153 -6.941 0.908 659 HG11 VAL 92 1HG1 VAL 92 3.206 -6.782 1.382 660 HG12 VAL 92 2HG1 VAL 92 3.835 -6.892 -0.263 661 HG13 VAL 92 3HG1 VAL 92 4.191 -8.165 0.905 662 HG21 VAL 92 1HG2 VAL 92 5.807 -5.120 -0.461 663 HG22 VAL 92 2HG2 VAL 92 4.388 -4.579 0.437 664 HG23 VAL 92 3HG2 VAL 92 6.001 -4.341 1.110 665 H ARG 93 H ARG 93 3.415 -7.367 3.912 666 HA ARG 93 HA ARG 93 5.059 -9.636 4.786 667 HB2 ARG 93 1HB ARG 93 3.505 -8.130 6.319 668 HB3 ARG 93 2HB ARG 93 2.263 -9.234 5.745 669 HG2 ARG 93 1HG ARG 93 3.233 -11.068 6.779 670 HG3 ARG 93 2HG ARG 93 4.810 -10.286 6.903 671 HD2 ARG 93 1HD ARG 93 3.663 -8.624 8.467 672 HD3 ARG 93 2HD ARG 93 2.334 -9.780 8.526 673 HE ARG 93 HE ARG 93 4.656 -11.184 9.101 674 HH11 ARG 93 2HH1 ARG 93 2.797 -8.580 10.474 675 HH12 ARG 93 1HH1 ARG 93 3.260 -8.935 12.105 676 HH21 ARG 93 2HH2 ARG 93 5.274 -11.661 11.244 677 HH22 ARG 93 1HH2 ARG 93 4.670 -10.687 12.542 678 H ALA 94 H ALA 94 4.749 -11.629 4.004 679 HA ALA 94 HA ALA 94 2.983 -12.022 1.788 680 HB1 ALA 94 1HB ALA 94 4.815 -13.303 1.441 681 HB2 ALA 94 2HB ALA 94 5.076 -13.593 3.161 682 HB3 ALA 94 3HB ALA 94 3.844 -14.506 2.290 683 H LEU 95 H LEU 95 1.116 -13.201 1.662 684 HA LEU 95 HA LEU 95 -0.636 -13.264 3.788 685 HB2 LEU 95 1HB LEU 95 -0.534 -14.895 1.267 686 HB3 LEU 95 2HB LEU 95 -1.860 -15.032 2.420 687 HG LEU 95 HG LEU 95 -1.165 -12.776 0.587 688 HD11 LEU 95 1HD1 LEU 95 -2.802 -14.151 -0.319 689 HD12 LEU 95 2HD1 LEU 95 -3.733 -12.859 0.436 690 HD13 LEU 95 3HD1 LEU 95 -3.581 -14.421 1.240 691 HD21 LEU 95 1HD2 LEU 95 -1.279 -11.557 2.579 692 HD22 LEU 95 2HD2 LEU 95 -2.557 -12.578 3.239 693 HD23 LEU 95 3HD2 LEU 95 -2.911 -11.462 1.919 694 HA PRO 96 HA PRO 96 0.376 -16.709 6.314 695 HB2 PRO 96 1HB PRO 96 -2.086 -17.555 7.084 696 HB3 PRO 96 2HB PRO 96 -1.350 -16.064 7.686 697 HG2 PRO 96 1HG PRO 96 -3.383 -16.432 5.520 698 HG3 PRO 96 2HG PRO 96 -3.328 -15.214 6.808 699 HD2 PRO 96 1HD PRO 96 -2.546 -14.688 4.269 700 HD3 PRO 96 2HD PRO 96 -1.799 -13.909 5.679 701 H ALA 97 H ALA 97 1.235 -18.446 5.330 702 HA ALA 97 HA ALA 97 -0.113 -19.936 3.303 703 HB1 ALA 97 1HB ALA 97 2.094 -21.347 4.531 704 HB2 ALA 97 2HB ALA 97 1.919 -20.740 2.884 705 HB3 ALA 97 3HB ALA 97 2.512 -19.675 4.159 706 H ARG 98 H ARG 98 -0.284 -22.383 3.499 707 HA ARG 98 HA ARG 98 -1.473 -23.061 6.110 708 HB2 ARG 98 1HB ARG 98 -3.053 -24.483 4.952 709 HB3 ARG 98 2HB ARG 98 -3.126 -22.860 4.279 710 HG2 ARG 98 1HG ARG 98 -1.909 -23.529 2.341 711 HG3 ARG 98 2HG ARG 98 -1.556 -25.108 3.044 712 HD2 ARG 98 1HD ARG 98 -4.376 -24.185 2.610 713 HD3 ARG 98 2HD ARG 98 -3.449 -24.936 1.311 714 HE ARG 98 HE ARG 98 -3.219 -26.638 3.455 715 HH11 ARG 98 2HH1 ARG 98 -5.827 -25.303 1.575 716 HH12 ARG 98 1HH1 ARG 98 -6.866 -26.671 1.804 717 HH21 ARG 98 2HH2 ARG 98 -4.577 -28.444 3.764 718 HH22 ARG 98 1HH2 ARG 98 -6.154 -28.457 3.050 719 H PHE 99 H PHE 99 -1.035 -25.050 7.006 720 HA PHE 99 HA PHE 99 1.206 -26.502 5.784 721 HB2 PHE 99 1HB PHE 99 1.399 -25.509 8.128 722 HB3 PHE 99 2HB PHE 99 0.264 -26.755 8.638 723 HD1 PHE 99 1HD PHE 99 3.364 -26.573 6.562 724 HD2 PHE 99 2HD PHE 99 1.213 -28.574 9.642 725 HE1 PHE 99 1HE PHE 99 5.230 -28.155 6.832 726 HE2 PHE 99 2HE PHE 99 3.075 -30.158 9.917 727 HZ PHE 99 HZ PHE 99 5.087 -29.950 8.512 728 H THR 100 H THR 100 -1.498 -27.356 7.947 729 HA THR 100 HA THR 100 -2.196 -29.555 6.141 730 HB THR 100 HB THR 100 -2.563 -30.955 8.304 731 HG1 THR 100 1HG THR 100 -2.000 -29.215 9.735 732 HG21 THR 100 1HG2 THR 100 -0.010 -31.540 8.235 733 HG22 THR 100 2HG2 THR 100 0.003 -30.427 6.867 734 HG23 THR 100 3HG2 THR 100 -1.030 -31.856 6.832 735 H GLU 101 H GLU 101 -4.330 -30.463 6.564 736 HA GLU 101 HA GLU 101 -6.131 -28.437 7.703 737 HB2 GLU 101 1HB GLU 101 -7.835 -29.925 6.321 738 HB3 GLU 101 2HB GLU 101 -6.886 -28.658 5.555 739 HG2 GLU 101 1HG GLU 101 -5.263 -30.311 4.806 740 HG3 GLU 101 2HG GLU 101 -6.191 -31.587 5.592 741 H GLY 102 H GLY 102 -8.393 -29.722 8.187 742 HA2 GLY 102 1HA GLY 102 -9.340 -31.636 9.281 743 HA3 GLY 102 2HA GLY 102 -7.736 -32.043 9.874 744 H SER 103 H SER 103 -10.679 -30.773 10.714 745 HA SER 103 HA SER 103 -9.523 -29.333 13.012 746 HB2 SER 103 1HB SER 103 -10.852 -27.889 11.494 747 HB3 SER 103 2HB SER 103 -12.252 -28.927 11.764 748 HG SER 103 HG SER 103 -11.831 -28.410 14.090 749 H GLY 104 H GLY 104 -9.461 -30.814 14.608 750 HA2 GLY 104 1HA GLY 104 -10.840 -33.053 15.095 751 HA3 GLY 104 2HA GLY 104 -10.411 -31.956 16.398 752 HA PRO 105 HA PRO 105 -15.137 -32.219 15.478 753 HB2 PRO 105 1HB PRO 105 -15.865 -34.357 16.985 754 HB3 PRO 105 2HB PRO 105 -15.446 -34.487 15.273 755 HG2 PRO 105 1HG PRO 105 -13.768 -35.065 17.684 756 HG3 PRO 105 2HG PRO 105 -13.922 -35.991 16.179 757 HD2 PRO 105 1HD PRO 105 -11.834 -34.336 16.664 758 HD3 PRO 105 2HD PRO 105 -12.479 -34.607 15.032 759 H SER 106 H SER 106 -16.647 -31.392 16.916 760 HA SER 106 HA SER 106 -15.572 -30.658 19.544 761 HB2 SER 106 1HB SER 106 -17.456 -28.972 19.525 762 HB3 SER 106 2HB SER 106 -16.242 -28.745 18.265 763 HG SER 106 HG SER 106 -18.780 -28.906 17.886 764 H SER 107 H SER 107 -18.539 -31.885 18.025 765 HA SER 107 HA SER 107 -20.217 -33.206 18.811 766 HB2 SER 107 1HB SER 107 -18.142 -34.514 19.644 767 HB3 SER 107 2HB SER 107 -18.548 -33.859 21.230 768 HG SER 107 HG SER 107 -20.778 -34.742 20.551 769 H GLY 108 H GLY 108 -20.350 -30.496 19.395 770 HA2 GLY 108 1HA GLY 108 -22.157 -30.548 21.641 771 HA3 GLY 108 2HA GLY 108 -20.704 -29.605 21.936 Start of MODEL 3 1 H1 GLY 1 H GLY 1 17.509 41.088 2.674 2 HA2 GLY 1 1HA GLY 1 15.882 42.232 3.841 3 HA3 GLY 1 2HA GLY 1 14.847 40.821 3.680 4 H SER 2 H SER 2 14.330 39.828 5.505 5 HA SER 2 HA SER 2 16.221 39.943 7.756 6 HB2 SER 2 1HB SER 2 13.294 40.619 7.730 7 HB3 SER 2 2HB SER 2 14.052 40.010 9.201 8 HG SER 2 HG SER 2 15.286 42.110 7.822 9 H SER 3 H SER 3 13.350 38.340 6.418 10 HA SER 3 HA SER 3 14.456 35.756 7.118 11 HB2 SER 3 1HB SER 3 12.087 36.939 8.499 12 HB3 SER 3 2HB SER 3 12.059 35.215 8.126 13 HG SER 3 HG SER 3 14.259 35.268 9.161 14 H GLY 4 H GLY 4 13.790 34.156 5.762 15 HA2 GLY 4 1HA GLY 4 11.741 33.396 4.435 16 HA3 GLY 4 2HA GLY 4 11.885 34.968 3.662 17 H SER 5 H SER 5 13.115 31.746 3.856 18 HA SER 5 HA SER 5 15.478 32.085 2.348 19 HB2 SER 5 1HB SER 5 13.747 29.608 2.530 20 HB3 SER 5 2HB SER 5 15.451 29.671 2.079 21 HG SER 5 HG SER 5 15.869 30.483 4.201 22 H SER 6 H SER 6 15.749 30.925 0.169 23 HA SER 6 HA SER 6 13.449 31.421 -1.588 24 HB2 SER 6 1HB SER 6 16.212 32.576 -1.827 25 HB3 SER 6 2HB SER 6 15.230 32.309 -3.267 26 HG SER 6 HG SER 6 14.065 33.977 -2.751 27 H GLY 7 H GLY 7 13.511 30.276 -3.604 28 HA2 GLY 7 1HA GLY 7 14.659 28.709 -5.071 29 HA3 GLY 7 2HA GLY 7 15.431 28.034 -3.645 30 HA PRO 8 HA PRO 8 11.769 25.398 -4.803 31 HB2 PRO 8 1HB PRO 8 13.133 23.051 -4.787 32 HB3 PRO 8 2HB PRO 8 13.019 24.085 -6.216 33 HG2 PRO 8 1HG PRO 8 15.245 23.839 -4.229 34 HG3 PRO 8 2HG PRO 8 15.330 23.951 -5.996 35 HD2 PRO 8 1HD PRO 8 15.789 26.073 -4.378 36 HD3 PRO 8 2HD PRO 8 15.064 26.240 -5.990 37 H ALA 9 H ALA 9 10.790 23.682 -3.525 38 HA ALA 9 HA ALA 9 11.118 24.119 -0.723 39 HB1 ALA 9 1HB ALA 9 8.939 23.651 -1.076 40 HB2 ALA 9 2HB ALA 9 9.274 22.598 -2.450 41 HB3 ALA 9 3HB ALA 9 9.477 21.993 -0.806 42 H ARG 10 H ARG 10 11.864 22.720 0.859 43 HA ARG 10 HA ARG 10 13.381 20.385 -0.105 44 HB2 ARG 10 1HB ARG 10 15.057 20.836 1.624 45 HB3 ARG 10 2HB ARG 10 14.904 22.195 0.518 46 HG2 ARG 10 1HG ARG 10 14.021 23.570 2.103 47 HG3 ARG 10 2HG ARG 10 13.285 22.242 3.003 48 HD2 ARG 10 1HD ARG 10 15.759 21.567 3.477 49 HD3 ARG 10 2HD ARG 10 16.098 23.246 3.061 50 HE ARG 10 HE ARG 10 14.967 22.295 5.483 51 HH11 ARG 10 2HH1 ARG 10 14.836 24.939 3.222 52 HH12 ARG 10 1HH1 ARG 10 14.308 26.093 4.401 53 HH21 ARG 10 2HH2 ARG 10 14.273 23.805 7.045 54 HH22 ARG 10 1HH2 ARG 10 13.989 25.447 6.576 55 H PHE 11 H PHE 11 13.202 18.514 1.034 56 HA PHE 11 HA PHE 11 10.944 18.087 2.629 57 HB2 PHE 11 1HB PHE 11 13.437 16.472 2.139 58 HB3 PHE 11 2HB PHE 11 12.181 15.905 3.236 59 HD1 PHE 11 1HD PHE 11 9.880 15.504 2.354 60 HD2 PHE 11 2HD PHE 11 13.199 16.289 -0.193 61 HE1 PHE 11 1HE PHE 11 8.631 14.579 0.447 62 HE2 PHE 11 2HE PHE 11 11.955 15.366 -2.104 63 HZ PHE 11 HZ PHE 11 9.668 14.510 -1.786 64 H THR 12 H THR 12 10.573 18.111 4.777 65 HA THR 12 HA THR 12 12.803 18.956 6.508 66 HB THR 12 HB THR 12 11.093 19.931 8.003 67 HG1 THR 12 1HG THR 12 9.116 19.252 7.697 68 HG21 THR 12 1HG2 THR 12 11.339 20.822 5.160 69 HG22 THR 12 2HG2 THR 12 11.976 21.565 6.627 70 HG23 THR 12 3HG2 THR 12 10.258 21.686 6.252 71 H GLN 13 H GLN 13 10.268 16.634 6.035 72 HA GLN 13 HA GLN 13 11.136 15.244 8.483 73 HB2 GLN 13 1HB GLN 13 8.405 15.815 7.458 74 HB3 GLN 13 2HB GLN 13 8.672 14.245 8.204 75 HG2 GLN 13 1HG GLN 13 9.339 16.862 9.524 76 HG3 GLN 13 2HG GLN 13 7.813 16.006 9.740 77 HE21 GLN 13 1HE2 GLN 13 8.088 15.634 11.907 78 HE22 GLN 13 2HE2 GLN 13 9.276 14.550 12.536 79 H ASP 14 H ASP 14 12.341 13.581 7.846 80 HA ASP 14 HA ASP 14 12.631 12.396 5.450 81 HB2 ASP 14 1HB ASP 14 12.494 10.736 7.966 82 HB3 ASP 14 2HB ASP 14 13.490 10.457 6.540 83 H LEU 15 H LEU 15 11.582 11.006 4.131 84 HA LEU 15 HA LEU 15 8.858 10.753 4.125 85 HB2 LEU 15 1HB LEU 15 10.730 10.074 2.394 86 HB3 LEU 15 2HB LEU 15 10.459 8.473 3.077 87 HG LEU 15 HG LEU 15 8.336 10.185 1.786 88 HD11 LEU 15 1HD1 LEU 15 8.499 8.233 0.084 89 HD12 LEU 15 2HD1 LEU 15 10.125 8.034 0.737 90 HD13 LEU 15 3HD1 LEU 15 9.653 9.563 -0.005 91 HD21 LEU 15 1HD2 LEU 15 8.277 7.746 3.374 92 HD22 LEU 15 2HD2 LEU 15 7.508 7.561 1.797 93 HD23 LEU 15 3HD2 LEU 15 6.963 8.824 2.901 94 H LYS 16 H LYS 16 7.360 9.466 5.041 95 HA LYS 16 HA LYS 16 8.318 7.470 6.976 96 HB2 LYS 16 1HB LYS 16 7.050 9.159 8.076 97 HB3 LYS 16 2HB LYS 16 5.789 9.107 6.851 98 HG2 LYS 16 1HG LYS 16 6.333 6.622 8.375 99 HG3 LYS 16 2HG LYS 16 5.513 7.944 9.209 100 HD2 LYS 16 1HD LYS 16 3.775 7.978 7.532 101 HD3 LYS 16 2HD LYS 16 4.628 6.764 6.576 102 HE2 LYS 16 1HE LYS 16 3.074 5.466 7.669 103 HE3 LYS 16 2HE LYS 16 4.453 5.343 8.761 104 HZ1 LYS 16 1HZ LYS 16 2.540 5.783 10.064 105 HZ2 LYS 16 2HZ LYS 16 2.061 7.067 9.074 106 HZ3 LYS 16 3HZ LYS 16 3.443 7.213 10.037 107 H THR 17 H THR 17 7.224 5.460 7.161 108 HA THR 17 HA THR 17 5.384 4.721 5.021 109 HB THR 17 HB THR 17 7.625 4.233 4.106 110 HG1 THR 17 1HG THR 17 5.787 2.853 3.646 111 HG21 THR 17 1HG2 THR 17 8.558 3.743 6.469 112 HG22 THR 17 2HG2 THR 17 9.154 2.789 5.111 113 HG23 THR 17 3HG2 THR 17 7.945 2.112 6.201 114 H LYS 18 H LYS 18 4.640 2.391 5.327 115 HA LYS 18 HA LYS 18 4.649 1.611 8.157 116 HB2 LYS 18 1HB LYS 18 2.283 1.337 8.224 117 HB3 LYS 18 2HB LYS 18 2.590 2.948 7.587 118 HG2 LYS 18 1HG LYS 18 0.996 2.270 6.124 119 HG3 LYS 18 2HG LYS 18 2.425 1.673 5.277 120 HD2 LYS 18 1HD LYS 18 1.057 -0.182 5.225 121 HD3 LYS 18 2HD LYS 18 2.000 -0.487 6.686 122 HE2 LYS 18 1HE LYS 18 -0.539 1.041 6.939 123 HE3 LYS 18 2HE LYS 18 -0.638 -0.697 6.656 124 HZ1 LYS 18 1HZ LYS 18 -0.245 -1.011 8.797 125 HZ2 LYS 18 2HZ LYS 18 -0.085 0.653 9.055 126 HZ3 LYS 18 3HZ LYS 18 1.269 -0.273 8.643 127 H GLU 19 H GLU 19 3.789 -0.620 8.479 128 HA GLU 19 HA GLU 19 4.659 -2.327 6.252 129 HB2 GLU 19 1HB GLU 19 4.293 -3.157 9.129 130 HB3 GLU 19 2HB GLU 19 5.149 -4.023 7.861 131 HG2 GLU 19 1HG GLU 19 6.990 -2.667 7.982 132 HG3 GLU 19 2HG GLU 19 6.077 -1.301 8.621 133 H ALA 20 H ALA 20 3.156 -3.344 5.119 134 HA ALA 20 HA ALA 20 0.647 -4.110 6.454 135 HB1 ALA 20 1HB ALA 20 -0.348 -3.684 4.062 136 HB2 ALA 20 2HB ALA 20 -0.162 -2.360 5.213 137 HB3 ALA 20 3HB ALA 20 1.023 -2.581 3.925 138 H SER 21 H SER 21 -0.582 -5.767 5.127 139 HA SER 21 HA SER 21 1.306 -7.841 4.325 140 HB2 SER 21 1HB SER 21 -0.533 -9.389 4.577 141 HB3 SER 21 2HB SER 21 -0.503 -8.328 5.985 142 HG SER 21 HG SER 21 -2.275 -8.299 3.787 143 H GLU 22 H GLU 22 0.621 -9.278 2.475 144 HA GLU 22 HA GLU 22 0.567 -7.822 0.095 145 HB2 GLU 22 1HB GLU 22 0.226 -10.690 0.818 146 HB3 GLU 22 2HB GLU 22 -0.257 -10.194 -0.798 147 HG2 GLU 22 1HG GLU 22 2.029 -9.185 -1.056 148 HG3 GLU 22 2HG GLU 22 2.464 -9.980 0.456 149 H GLY 23 H GLY 23 -1.012 -6.997 -1.135 150 HA2 GLY 23 1HA GLY 23 -3.170 -6.921 -2.093 151 HA3 GLY 23 2HA GLY 23 -3.758 -7.947 -0.793 152 H ALA 24 H ALA 24 -2.182 -6.035 1.060 153 HA ALA 24 HA ALA 24 -4.442 -4.345 1.634 154 HB1 ALA 24 1HB ALA 24 -2.144 -3.648 3.185 155 HB2 ALA 24 2HB ALA 24 -3.634 -4.440 3.697 156 HB3 ALA 24 3HB ALA 24 -2.284 -5.404 3.098 157 H THR 25 H THR 25 -3.585 -1.998 2.471 158 HA THR 25 HA THR 25 -2.175 -0.794 0.179 159 HB THR 25 HB THR 25 -4.495 0.419 1.694 160 HG1 THR 25 1HG THR 25 -5.705 -0.447 0.194 161 HG21 THR 25 1HG2 THR 25 -4.394 2.153 -0.075 162 HG22 THR 25 2HG2 THR 25 -2.907 1.417 -0.672 163 HG23 THR 25 3HG2 THR 25 -2.954 2.126 0.942 164 H ALA 26 H ALA 26 -0.332 0.121 0.774 165 HA ALA 26 HA ALA 26 0.292 0.642 3.519 166 HB1 ALA 26 1HB ALA 26 2.315 0.267 2.686 167 HB2 ALA 26 2HB ALA 26 1.726 0.442 1.032 168 HB3 ALA 26 3HB ALA 26 2.244 1.863 1.939 169 H THR 27 H THR 27 1.460 2.839 3.975 170 HA THR 27 HA THR 27 0.158 5.118 2.732 171 HB THR 27 HB THR 27 -0.186 4.566 5.686 172 HG1 THR 27 1HG THR 27 -1.869 4.316 3.444 173 HG21 THR 27 1HG2 THR 27 0.121 6.934 5.275 174 HG22 THR 27 2HG2 THR 27 -1.574 6.617 5.644 175 HG23 THR 27 3HG2 THR 27 -1.071 6.892 3.976 176 H LEU 28 H LEU 28 1.961 6.207 2.219 177 HA LEU 28 HA LEU 28 4.037 6.536 4.275 178 HB2 LEU 28 1HB LEU 28 4.228 7.082 1.318 179 HB3 LEU 28 2HB LEU 28 5.549 7.108 2.484 180 HG LEU 28 HG LEU 28 4.777 4.577 2.809 181 HD11 LEU 28 1HD1 LEU 28 4.500 4.422 -0.053 182 HD12 LEU 28 2HD1 LEU 28 3.195 5.371 0.657 183 HD13 LEU 28 3HD1 LEU 28 3.491 3.725 1.214 184 HD21 LEU 28 1HD2 LEU 28 6.446 4.092 0.866 185 HD22 LEU 28 2HD2 LEU 28 7.002 4.923 2.318 186 HD23 LEU 28 3HD2 LEU 28 6.647 5.844 0.856 187 H GLN 29 H GLN 29 4.333 8.455 5.204 188 HA GLN 29 HA GLN 29 3.043 10.803 3.976 189 HB2 GLN 29 1HB GLN 29 3.387 10.029 6.866 190 HB3 GLN 29 2HB GLN 29 3.032 11.683 6.384 191 HG2 GLN 29 1HG GLN 29 0.944 11.049 5.447 192 HG3 GLN 29 2HG GLN 29 1.322 9.335 5.616 193 HE21 GLN 29 1HE2 GLN 29 -0.660 9.134 6.771 194 HE22 GLN 29 2HE2 GLN 29 -0.753 9.584 8.436 195 H CYS 30 H CYS 30 4.162 12.722 3.873 196 HA CYS 30 HA CYS 30 6.811 12.919 5.043 197 HB2 CYS 30 1HB CYS 30 7.996 13.243 3.000 198 HB3 CYS 30 2HB CYS 30 7.077 11.755 2.816 199 HG CYS 30 HG CYS 30 4.964 13.584 1.584 200 H GLU 31 H GLU 31 7.432 14.999 5.422 201 HA GLU 31 HA GLU 31 5.462 17.065 4.750 202 HB2 GLU 31 1HB GLU 31 6.373 16.490 7.165 203 HB3 GLU 31 2HB GLU 31 7.697 17.537 6.674 204 HG2 GLU 31 1HG GLU 31 6.164 19.360 6.285 205 HG3 GLU 31 2HG GLU 31 4.791 18.318 6.654 206 H LEU 32 H LEU 32 6.295 19.251 4.270 207 HA LEU 32 HA LEU 32 8.921 19.250 2.963 208 HB2 LEU 32 1HB LEU 32 6.362 20.259 1.729 209 HB3 LEU 32 2HB LEU 32 7.974 20.467 1.046 210 HG LEU 32 HG LEU 32 6.866 17.729 1.558 211 HD11 LEU 32 1HD1 LEU 32 5.275 18.023 0.042 212 HD12 LEU 32 2HD1 LEU 32 6.537 18.301 -1.157 213 HD13 LEU 32 3HD1 LEU 32 5.824 19.664 -0.295 214 HD21 LEU 32 1HD2 LEU 32 9.069 17.490 0.994 215 HD22 LEU 32 2HD2 LEU 32 9.091 18.948 0.003 216 HD23 LEU 32 3HD2 LEU 32 8.340 17.475 -0.611 217 H SER 33 H SER 33 9.659 21.479 2.423 218 HA SER 33 HA SER 33 9.430 23.154 4.697 219 HB2 SER 33 1HB SER 33 10.886 24.695 3.469 220 HB3 SER 33 2HB SER 33 11.474 23.039 3.316 221 HG SER 33 HG SER 33 9.705 23.930 1.366 222 H LYS 34 H LYS 34 7.674 22.932 1.749 223 HA LYS 34 HA LYS 34 5.704 24.771 2.591 224 HB2 LYS 34 1HB LYS 34 6.005 26.524 0.917 225 HB3 LYS 34 2HB LYS 34 7.404 26.430 1.978 226 HG2 LYS 34 1HG LYS 34 8.735 25.444 0.318 227 HG3 LYS 34 2HG LYS 34 7.336 25.050 -0.685 228 HD2 LYS 34 1HD LYS 34 6.942 27.515 -0.937 229 HD3 LYS 34 2HD LYS 34 8.488 27.780 -0.128 230 HE2 LYS 34 1HE LYS 34 9.577 26.406 -1.890 231 HE3 LYS 34 2HE LYS 34 8.025 26.315 -2.723 232 HZ1 LYS 34 1HZ LYS 34 9.906 28.242 -3.076 233 HZ2 LYS 34 2HZ LYS 34 8.782 29.000 -2.064 234 HZ3 LYS 34 3HZ LYS 34 8.284 28.352 -3.546 235 H VAL 35 H VAL 35 4.074 25.186 0.811 236 HA VAL 35 HA VAL 35 3.287 22.763 -0.345 237 HB VAL 35 HB VAL 35 2.418 25.516 -1.231 238 HG11 VAL 35 1HG1 VAL 35 0.264 23.800 -1.345 239 HG12 VAL 35 2HG1 VAL 35 1.240 24.334 -2.714 240 HG13 VAL 35 3HG1 VAL 35 1.607 22.807 -1.911 241 HG21 VAL 35 1HG2 VAL 35 0.584 25.233 0.411 242 HG22 VAL 35 2HG2 VAL 35 1.393 23.790 1.021 243 HG23 VAL 35 3HG2 VAL 35 2.174 25.365 1.163 244 H ALA 36 H ALA 36 4.481 21.741 -1.831 245 HA ALA 36 HA ALA 36 4.990 23.104 -4.357 246 HB1 ALA 36 1HB ALA 36 7.174 21.740 -2.787 247 HB2 ALA 36 2HB ALA 36 7.320 22.319 -4.447 248 HB3 ALA 36 3HB ALA 36 7.050 23.465 -3.135 249 HA PRO 37 HA PRO 37 3.698 19.234 -6.004 250 HB2 PRO 37 1HB PRO 37 4.798 19.409 -8.480 251 HB3 PRO 37 2HB PRO 37 3.384 20.349 -7.988 252 HG2 PRO 37 1HG PRO 37 6.257 21.181 -8.128 253 HG3 PRO 37 2HG PRO 37 4.809 22.069 -8.637 254 HD2 PRO 37 1HD PRO 37 6.072 22.563 -6.293 255 HD3 PRO 37 2HD PRO 37 4.318 22.749 -6.490 256 H VAL 38 H VAL 38 4.441 17.210 -5.844 257 HA VAL 38 HA VAL 38 7.338 16.752 -6.145 258 HB VAL 38 HB VAL 38 7.225 15.042 -4.412 259 HG11 VAL 38 1HG1 VAL 38 5.952 17.482 -3.227 260 HG12 VAL 38 2HG1 VAL 38 7.239 16.469 -2.571 261 HG13 VAL 38 3HG1 VAL 38 7.569 17.547 -3.927 262 HG21 VAL 38 1HG2 VAL 38 4.339 15.875 -4.136 263 HG22 VAL 38 2HG2 VAL 38 4.935 14.311 -4.695 264 HG23 VAL 38 3HG2 VAL 38 5.197 14.808 -3.024 265 H GLU 39 H GLU 39 7.721 14.244 -6.312 266 HA GLU 39 HA GLU 39 5.661 12.921 -7.890 267 HB2 GLU 39 1HB GLU 39 6.919 14.138 -9.574 268 HB3 GLU 39 2HB GLU 39 8.432 13.498 -8.948 269 HG2 GLU 39 1HG GLU 39 7.723 11.238 -9.578 270 HG3 GLU 39 2HG GLU 39 6.230 11.902 -10.239 271 H TRP 40 H TRP 40 5.466 10.959 -7.062 272 HA TRP 40 HA TRP 40 7.559 9.785 -5.474 273 HB2 TRP 40 1HB TRP 40 4.890 8.640 -6.324 274 HB3 TRP 40 2HB TRP 40 5.956 7.964 -5.095 275 HD1 TRP 40 HD TRP 40 3.779 11.096 -5.717 276 HE1 TRP 40 1HE TRP 40 3.072 12.045 -3.431 277 HE3 TRP 40 3HE TRP 40 6.466 7.983 -2.680 278 HZ2 TRP 40 2HZ TRP 40 3.586 11.541 -0.702 279 HZ3 TRP 40 3HZ TRP 40 6.303 8.284 -0.243 280 HH2 TRP 40 HH TRP 40 4.893 10.027 0.723 281 H LYS 41 H LYS 41 8.880 8.108 -5.975 282 HA LYS 41 HA LYS 41 8.576 6.854 -8.616 283 HB2 LYS 41 1HB LYS 41 10.905 8.350 -7.530 284 HB3 LYS 41 2HB LYS 41 11.246 6.896 -8.459 285 HG2 LYS 41 1HG LYS 41 9.537 8.038 -10.141 286 HG3 LYS 41 2HG LYS 41 10.127 9.493 -9.335 287 HD2 LYS 41 1HD LYS 41 12.438 8.816 -9.850 288 HD3 LYS 41 2HD LYS 41 11.819 7.396 -10.697 289 HE2 LYS 41 1HE LYS 41 11.011 8.631 -12.456 290 HE3 LYS 41 2HE LYS 41 10.813 10.087 -11.483 291 HZ1 LYS 41 1HZ LYS 41 13.548 9.288 -11.678 292 HZ2 LYS 41 2HZ LYS 41 12.837 10.781 -12.030 293 HZ3 LYS 41 3HZ LYS 41 12.868 9.562 -13.203 294 H LYS 42 H LYS 42 9.139 4.712 -8.744 295 HA LYS 42 HA LYS 42 9.827 3.420 -6.188 296 HB2 LYS 42 1HB LYS 42 7.582 2.884 -7.164 297 HB3 LYS 42 2HB LYS 42 8.405 2.184 -8.552 298 HG2 LYS 42 1HG LYS 42 9.277 0.418 -7.291 299 HG3 LYS 42 2HG LYS 42 8.948 1.234 -5.761 300 HD2 LYS 42 1HD LYS 42 6.623 0.863 -5.949 301 HD3 LYS 42 2HD LYS 42 6.757 0.408 -7.650 302 HE2 LYS 42 1HE LYS 42 7.972 -1.149 -5.372 303 HE3 LYS 42 2HE LYS 42 6.405 -1.511 -6.094 304 HZ1 LYS 42 1HZ LYS 42 8.663 -1.288 -7.920 305 HZ2 LYS 42 2HZ LYS 42 7.350 -2.354 -7.947 306 HZ3 LYS 42 3HZ LYS 42 8.650 -2.641 -6.903 307 H GLY 43 H GLY 43 11.577 4.518 -8.420 308 HA2 GLY 43 1HA GLY 43 13.814 3.164 -8.317 309 HA3 GLY 43 2HA GLY 43 12.890 2.055 -9.319 310 HA PRO 44 HA PRO 44 15.027 4.682 -12.348 311 HB2 PRO 44 1HB PRO 44 14.992 2.804 -14.308 312 HB3 PRO 44 2HB PRO 44 16.209 2.832 -13.026 313 HG2 PRO 44 1HG PRO 44 13.730 1.169 -13.249 314 HG3 PRO 44 2HG PRO 44 15.356 0.689 -12.729 315 HD2 PRO 44 1HD PRO 44 13.357 1.200 -10.976 316 HD3 PRO 44 2HD PRO 44 15.061 1.531 -10.604 317 H GLU 45 H GLU 45 11.915 3.742 -11.934 318 HA GLU 45 HA GLU 45 11.059 4.889 -14.511 319 HB2 GLU 45 1HB GLU 45 9.998 2.632 -12.890 320 HB3 GLU 45 2HB GLU 45 8.827 3.648 -13.719 321 HG2 GLU 45 1HG GLU 45 9.479 2.964 -15.787 322 HG3 GLU 45 2HG GLU 45 11.139 2.651 -15.283 323 H THR 46 H THR 46 8.893 5.986 -14.387 324 HA THR 46 HA THR 46 8.708 7.527 -11.882 325 HB THR 46 HB THR 46 7.653 8.576 -14.482 326 HG1 THR 46 1HG THR 46 10.046 7.856 -14.449 327 HG21 THR 46 1HG2 THR 46 8.056 9.545 -11.796 328 HG22 THR 46 2HG2 THR 46 7.173 10.285 -13.131 329 HG23 THR 46 3HG2 THR 46 8.906 10.561 -12.959 330 H LEU 47 H LEU 47 6.769 7.729 -10.885 331 HA LEU 47 HA LEU 47 4.537 6.205 -12.034 332 HB2 LEU 47 1HB LEU 47 4.875 7.143 -9.193 333 HB3 LEU 47 2HB LEU 47 3.681 6.000 -9.803 334 HG LEU 47 HG LEU 47 6.571 5.327 -10.076 335 HD11 LEU 47 1HD1 LEU 47 5.684 6.130 -7.636 336 HD12 LEU 47 2HD1 LEU 47 6.966 4.948 -7.903 337 HD13 LEU 47 3HD1 LEU 47 5.317 4.405 -7.594 338 HD21 LEU 47 1HD2 LEU 47 5.683 3.407 -10.735 339 HD22 LEU 47 2HD2 LEU 47 4.063 4.047 -10.455 340 HD23 LEU 47 3HD2 LEU 47 4.920 3.215 -9.156 341 H ARG 48 H ARG 48 2.346 7.117 -10.976 342 HA ARG 48 HA ARG 48 2.249 10.021 -11.062 343 HB2 ARG 48 1HB ARG 48 1.116 8.240 -13.176 344 HB3 ARG 48 2HB ARG 48 0.226 9.690 -12.729 345 HG2 ARG 48 1HG ARG 48 2.146 11.068 -13.281 346 HG3 ARG 48 2HG ARG 48 3.085 9.626 -13.672 347 HD2 ARG 48 1HD ARG 48 2.386 10.247 -15.764 348 HD3 ARG 48 2HD ARG 48 1.083 9.153 -15.302 349 HE ARG 48 HE ARG 48 0.527 11.856 -14.576 350 HH11 ARG 48 2HH1 ARG 48 0.506 9.599 -17.227 351 HH12 ARG 48 1HH1 ARG 48 -0.736 10.435 -18.100 352 HH21 ARG 48 2HH2 ARG 48 -1.109 12.966 -15.715 353 HH22 ARG 48 1HH2 ARG 48 -1.653 12.350 -17.239 354 H ASP 49 H ASP 49 -0.282 10.616 -10.992 355 HA ASP 49 HA ASP 49 -1.388 8.985 -8.803 356 HB2 ASP 49 1HB ASP 49 -2.369 10.941 -7.892 357 HB3 ASP 49 2HB ASP 49 -0.729 11.402 -8.342 358 H GLY 50 H GLY 50 -3.058 7.766 -9.364 359 HA2 GLY 50 1HA GLY 50 -5.493 8.270 -10.144 360 HA3 GLY 50 2HA GLY 50 -4.684 8.557 -11.677 361 H GLY 51 H GLY 51 -5.679 6.163 -9.351 362 HA2 GLY 51 1HA GLY 51 -6.468 4.051 -10.371 363 HA3 GLY 51 2HA GLY 51 -4.989 4.068 -11.320 364 H ARG 52 H ARG 52 -4.052 2.210 -10.634 365 HA ARG 52 HA ARG 52 -4.070 0.990 -8.216 366 HB2 ARG 52 1HB ARG 52 -1.815 1.254 -10.198 367 HB3 ARG 52 2HB ARG 52 -1.690 0.236 -8.770 368 HG2 ARG 52 1HG ARG 52 -4.022 -0.112 -10.587 369 HG3 ARG 52 2HG ARG 52 -2.450 -0.754 -11.067 370 HD2 ARG 52 1HD ARG 52 -3.347 -2.552 -9.948 371 HD3 ARG 52 2HD ARG 52 -2.447 -1.757 -8.657 372 HE ARG 52 HE ARG 52 -4.439 -1.198 -7.638 373 HH11 ARG 52 2HH1 ARG 52 -5.040 -2.478 -10.819 374 HH12 ARG 52 1HH1 ARG 52 -6.748 -2.631 -10.577 375 HH21 ARG 52 2HH2 ARG 52 -6.688 -1.396 -7.307 376 HH22 ARG 52 1HH2 ARG 52 -7.685 -2.015 -8.579 377 H TYR 53 H TYR 53 -2.149 3.794 -9.121 378 HA TYR 53 HA TYR 53 -1.055 3.913 -6.396 379 HB2 TYR 53 1HB TYR 53 -0.171 5.202 -8.978 380 HB3 TYR 53 2HB TYR 53 0.490 5.653 -7.411 381 HD1 TYR 53 1HD TYR 53 1.637 3.846 -6.032 382 HD2 TYR 53 2HD TYR 53 0.670 3.348 -10.145 383 HE1 TYR 53 1HE TYR 53 3.269 2.012 -6.187 384 HE2 TYR 53 2HE TYR 53 2.299 1.512 -10.312 385 HH TYR 53 HH TYR 53 3.984 0.287 -7.471 386 H SER 54 H SER 54 -2.223 5.108 -5.053 387 HA SER 54 HA SER 54 -3.456 7.580 -6.083 388 HB2 SER 54 1HB SER 54 -4.457 5.488 -4.218 389 HB3 SER 54 2HB SER 54 -4.894 7.160 -3.863 390 HG SER 54 HG SER 54 -6.419 6.133 -5.233 391 H LEU 55 H LEU 55 -2.804 9.439 -5.218 392 HA LEU 55 HA LEU 55 -1.578 9.434 -2.556 393 HB2 LEU 55 1HB LEU 55 0.011 11.228 -3.684 394 HB3 LEU 55 2HB LEU 55 0.403 9.510 -3.647 395 HG LEU 55 HG LEU 55 -1.020 10.684 -6.006 396 HD11 LEU 55 1HD1 LEU 55 1.816 11.067 -5.220 397 HD12 LEU 55 2HD1 LEU 55 0.740 12.122 -6.135 398 HD13 LEU 55 3HD1 LEU 55 1.465 10.716 -6.913 399 HD21 LEU 55 1HD2 LEU 55 0.505 8.850 -7.051 400 HD22 LEU 55 2HD2 LEU 55 -0.966 8.387 -6.196 401 HD23 LEU 55 3HD2 LEU 55 0.600 8.250 -5.395 402 H LYS 56 H LYS 56 -1.730 11.392 -1.426 403 HA LYS 56 HA LYS 56 -3.497 13.408 -2.650 404 HB2 LYS 56 1HB LYS 56 -4.625 11.976 -0.924 405 HB3 LYS 56 2HB LYS 56 -3.491 12.606 0.263 406 HG2 LYS 56 1HG LYS 56 -4.468 14.669 0.311 407 HG3 LYS 56 2HG LYS 56 -5.072 14.543 -1.343 408 HD2 LYS 56 1HD LYS 56 -7.013 14.340 -0.100 409 HD3 LYS 56 2HD LYS 56 -6.570 12.652 -0.371 410 HE2 LYS 56 1HE LYS 56 -5.387 12.734 1.858 411 HE3 LYS 56 2HE LYS 56 -6.158 14.299 2.116 412 HZ1 LYS 56 1HZ LYS 56 -7.218 11.844 2.703 413 HZ2 LYS 56 2HZ LYS 56 -8.039 12.319 1.303 414 HZ3 LYS 56 3HZ LYS 56 -8.053 13.316 2.669 415 H GLN 57 H GLN 57 -3.255 15.580 -1.852 416 HA GLN 57 HA GLN 57 -0.649 16.094 -0.582 417 HB2 GLN 57 1HB GLN 57 -0.392 16.609 -2.914 418 HB3 GLN 57 2HB GLN 57 -1.893 17.524 -2.932 419 HG2 GLN 57 1HG GLN 57 -0.967 19.334 -1.869 420 HG3 GLN 57 2HG GLN 57 0.303 18.374 -1.111 421 HE21 GLN 57 1HE2 GLN 57 2.189 19.057 -1.819 422 HE22 GLN 57 2HE2 GLN 57 2.593 19.410 -3.461 423 H ASP 58 H ASP 58 -1.126 16.826 1.389 424 HA ASP 58 HA ASP 58 -3.354 18.721 1.692 425 HB2 ASP 58 1HB ASP 58 -2.085 16.728 3.527 426 HB3 ASP 58 2HB ASP 58 -2.865 18.148 4.218 427 H GLY 59 H GLY 59 -2.164 20.539 0.964 428 HA2 GLY 59 1HA GLY 59 -0.976 22.469 1.350 429 HA3 GLY 59 2HA GLY 59 -0.850 21.967 3.030 430 H THR 60 H THR 60 1.049 21.200 3.778 431 HA THR 60 HA THR 60 3.262 21.072 1.848 432 HB THR 60 HB THR 60 4.725 21.303 3.889 433 HG1 THR 60 1HG THR 60 3.675 21.011 5.707 434 HG21 THR 60 1HG2 THR 60 2.827 23.621 3.706 435 HG22 THR 60 2HG2 THR 60 3.877 23.198 2.354 436 HG23 THR 60 3HG2 THR 60 4.578 23.634 3.912 437 H ARG 61 H ARG 61 1.205 18.981 3.104 438 HA ARG 61 HA ARG 61 3.250 16.913 3.580 439 HB2 ARG 61 1HB ARG 61 0.520 17.297 4.784 440 HB3 ARG 61 2HB ARG 61 1.306 15.724 4.787 441 HG2 ARG 61 1HG ARG 61 2.949 16.396 6.255 442 HG3 ARG 61 2HG ARG 61 2.762 18.103 5.845 443 HD2 ARG 61 1HD ARG 61 0.458 16.697 7.089 444 HD3 ARG 61 2HD ARG 61 1.837 17.094 8.113 445 HE ARG 61 HE ARG 61 1.266 19.412 6.780 446 HH11 ARG 61 2HH1 ARG 61 -0.506 17.235 8.840 447 HH12 ARG 61 1HH1 ARG 61 -1.541 18.471 9.475 448 HH21 ARG 61 2HH2 ARG 61 -0.091 21.048 7.609 449 HH22 ARG 61 1HH2 ARG 61 -1.305 20.639 8.773 450 H CYS 62 H CYS 62 2.737 14.760 2.831 451 HA CYS 62 HA CYS 62 0.633 14.558 0.819 452 HB2 CYS 62 1HB CYS 62 3.547 13.994 0.234 453 HB3 CYS 62 2HB CYS 62 2.209 13.619 -0.845 454 HG CYS 62 HG CYS 62 3.652 16.595 -0.177 455 H GLU 63 H GLU 63 -0.200 12.529 0.594 456 HA GLU 63 HA GLU 63 1.071 10.395 2.180 457 HB2 GLU 63 1HB GLU 63 -0.943 11.217 3.300 458 HB3 GLU 63 2HB GLU 63 -1.883 10.940 1.840 459 HG2 GLU 63 1HG GLU 63 -1.432 8.538 2.018 460 HG3 GLU 63 2HG GLU 63 -0.526 8.829 3.501 461 H LEU 64 H LEU 64 1.780 8.823 0.913 462 HA LEU 64 HA LEU 64 0.477 8.364 -1.672 463 HB2 LEU 64 1HB LEU 64 2.826 8.725 -1.846 464 HB3 LEU 64 2HB LEU 64 3.158 7.553 -0.572 465 HG LEU 64 HG LEU 64 2.332 5.761 -2.094 466 HD11 LEU 64 1HD1 LEU 64 0.984 7.391 -3.497 467 HD12 LEU 64 2HD1 LEU 64 1.902 6.164 -4.370 468 HD13 LEU 64 3HD1 LEU 64 2.507 7.818 -4.277 469 HD21 LEU 64 1HD2 LEU 64 4.772 6.654 -1.848 470 HD22 LEU 64 2HD2 LEU 64 4.526 7.219 -3.500 471 HD23 LEU 64 3HD2 LEU 64 4.376 5.502 -3.123 472 H GLN 65 H GLN 65 -0.967 6.790 -1.794 473 HA GLN 65 HA GLN 65 -0.723 4.503 0.044 474 HB2 GLN 65 1HB GLN 65 -3.081 5.921 -1.129 475 HB3 GLN 65 2HB GLN 65 -3.228 4.221 -0.704 476 HG2 GLN 65 1HG GLN 65 -2.330 4.910 1.589 477 HG3 GLN 65 2HG GLN 65 -2.693 6.561 1.086 478 HE21 GLN 65 1HE2 GLN 65 -4.141 6.502 2.939 479 HE22 GLN 65 2HE2 GLN 65 -5.726 5.845 2.744 480 H ILE 66 H ILE 66 -0.300 2.565 -0.784 481 HA ILE 66 HA ILE 66 -0.435 2.243 -3.701 482 HB ILE 66 HB ILE 66 1.085 0.600 -1.672 483 HG12 ILE 66 1HG1 ILE 66 2.282 2.411 -3.754 484 HG13 ILE 66 2HG1 ILE 66 1.812 3.033 -2.175 485 HG21 ILE 66 1HG2 ILE 66 0.458 0.204 -4.490 486 HG22 ILE 66 2HG2 ILE 66 2.185 0.131 -4.143 487 HG23 ILE 66 3HG2 ILE 66 1.069 -0.938 -3.293 488 HD11 ILE 66 1HD1 ILE 66 4.076 1.326 -2.944 489 HD12 ILE 66 2HD1 ILE 66 3.935 2.526 -1.659 490 HD13 ILE 66 3HD1 ILE 66 3.276 0.907 -1.429 491 H HIS 67 H HIS 67 -2.392 1.459 -4.227 492 HA HIS 67 HA HIS 67 -3.794 -0.426 -2.572 493 HB2 HIS 67 1HB HIS 67 -4.381 0.543 -5.377 494 HB3 HIS 67 2HB HIS 67 -5.474 -0.415 -4.383 495 HD1 HIS 67 1HD HIS 67 -6.967 0.835 -2.811 496 HD2 HIS 67 2HD HIS 67 -3.915 3.210 -4.330 497 HE1 HIS 67 1HE HIS 67 -7.491 3.173 -2.046 498 HE2 HIS 67 2HE HIS 67 -5.677 4.605 -3.049 499 H ASP 68 H ASP 68 -4.080 -2.593 -2.881 500 HA ASP 68 HA ASP 68 -3.701 -4.710 -3.632 501 HB2 ASP 68 1HB ASP 68 -4.343 -3.536 -5.864 502 HB3 ASP 68 2HB ASP 68 -2.621 -3.637 -6.220 503 H LEU 69 H LEU 69 -1.798 -3.652 -2.025 504 HA LEU 69 HA LEU 69 0.813 -3.497 -2.867 505 HB2 LEU 69 1HB LEU 69 -0.497 -4.360 -0.343 506 HB3 LEU 69 2HB LEU 69 1.227 -4.677 -0.529 507 HG LEU 69 HG LEU 69 -0.030 -1.945 -0.762 508 HD11 LEU 69 1HD1 LEU 69 0.394 -3.492 1.555 509 HD12 LEU 69 2HD1 LEU 69 -0.045 -1.788 1.447 510 HD13 LEU 69 3HD1 LEU 69 1.653 -2.257 1.521 511 HD21 LEU 69 1HD2 LEU 69 2.317 -2.723 -1.788 512 HD22 LEU 69 2HD2 LEU 69 2.831 -2.354 -0.142 513 HD23 LEU 69 3HD2 LEU 69 2.043 -1.114 -1.120 514 H SER 70 H SER 70 2.575 -5.138 -2.422 515 HA SER 70 HA SER 70 1.942 -7.916 -2.605 516 HB2 SER 70 1HB SER 70 1.610 -6.808 -4.989 517 HB3 SER 70 2HB SER 70 3.367 -6.953 -5.049 518 HG SER 70 HG SER 70 1.411 -8.957 -4.939 519 H VAL 71 H VAL 71 3.800 -9.261 -2.497 520 HA VAL 71 HA VAL 71 5.871 -8.352 -0.912 521 HB VAL 71 HB VAL 71 7.131 -10.405 -1.723 522 HG11 VAL 71 1HG1 VAL 71 5.127 -10.127 0.077 523 HG12 VAL 71 2HG1 VAL 71 4.469 -11.393 -0.961 524 HG13 VAL 71 3HG1 VAL 71 6.033 -11.618 -0.178 525 HG21 VAL 71 1HG2 VAL 71 5.138 -10.241 -3.766 526 HG22 VAL 71 2HG2 VAL 71 6.507 -11.345 -3.637 527 HG23 VAL 71 3HG2 VAL 71 4.961 -11.767 -2.900 528 H ALA 72 H ALA 72 5.573 -8.311 -4.390 529 HA ALA 72 HA ALA 72 8.312 -7.798 -4.966 530 HB1 ALA 72 1HB ALA 72 6.278 -6.790 -6.848 531 HB2 ALA 72 2HB ALA 72 7.688 -7.810 -7.135 532 HB3 ALA 72 3HB ALA 72 6.210 -8.514 -6.480 533 H ASP 73 H ASP 73 5.545 -5.783 -4.212 534 HA ASP 73 HA ASP 73 6.617 -3.306 -5.018 535 HB2 ASP 73 1HB ASP 73 4.513 -4.061 -2.996 536 HB3 ASP 73 2HB ASP 73 4.956 -2.384 -3.301 537 H ALA 74 H ALA 74 6.899 -5.156 -2.042 538 HA ALA 74 HA ALA 74 7.945 -3.276 -0.318 539 HB1 ALA 74 1HB ALA 74 9.314 -5.850 -0.150 540 HB2 ALA 74 2HB ALA 74 8.305 -5.020 1.035 541 HB3 ALA 74 3HB ALA 74 7.557 -5.984 -0.238 542 H GLY 75 H GLY 75 9.398 -1.804 -1.041 543 HA2 GLY 75 1HA GLY 75 12.101 -2.735 -1.500 544 HA3 GLY 75 2HA GLY 75 11.360 -1.947 -2.886 545 H GLU 76 H GLU 76 11.897 0.112 -3.079 546 HA GLU 76 HA GLU 76 12.025 1.781 -0.676 547 HB2 GLU 76 1HB GLU 76 14.337 0.960 -1.366 548 HB3 GLU 76 2HB GLU 76 14.147 1.941 -2.812 549 HG2 GLU 76 1HG GLU 76 14.091 3.943 -1.566 550 HG3 GLU 76 2HG GLU 76 13.900 3.074 -0.044 551 H TYR 77 H TYR 77 10.719 3.450 -0.958 552 HA TYR 77 HA TYR 77 10.164 4.373 -3.692 553 HB2 TYR 77 1HB TYR 77 8.590 4.652 -1.128 554 HB3 TYR 77 2HB TYR 77 8.159 5.473 -2.624 555 HD1 TYR 77 1HD TYR 77 8.712 2.093 -1.172 556 HD2 TYR 77 2HD TYR 77 6.852 4.389 -4.233 557 HE1 TYR 77 1HE TYR 77 7.458 0.104 -1.893 558 HE2 TYR 77 2HE TYR 77 5.592 2.406 -4.963 559 HH TYR 77 HH TYR 77 5.421 -0.448 -3.108 560 H SER 78 H SER 78 11.131 6.170 -4.328 561 HA SER 78 HA SER 78 12.052 8.084 -2.297 562 HB2 SER 78 1HB SER 78 12.920 7.899 -5.189 563 HB3 SER 78 2HB SER 78 13.676 8.847 -3.909 564 HG SER 78 HG SER 78 13.420 6.107 -3.485 565 H CYS 79 H CYS 79 11.548 10.248 -2.423 566 HA CYS 79 HA CYS 79 9.534 10.993 -4.441 567 HB2 CYS 79 1HB CYS 79 8.837 10.688 -1.926 568 HB3 CYS 79 2HB CYS 79 9.581 12.271 -1.733 569 HG CYS 79 HG CYS 79 7.721 12.698 -4.275 570 H MET 80 H MET 80 10.293 12.480 -5.781 571 HA MET 80 HA MET 80 12.476 14.220 -4.923 572 HB2 MET 80 1HB MET 80 11.263 13.848 -7.667 573 HB3 MET 80 2HB MET 80 12.713 14.771 -7.296 574 HG2 MET 80 1HG MET 80 13.725 12.646 -6.431 575 HG3 MET 80 2HG MET 80 12.326 11.800 -7.089 576 HE1 MET 80 1HE MET 80 15.228 10.726 -8.747 577 HE2 MET 80 2HE MET 80 13.613 10.315 -8.170 578 HE3 MET 80 3HE MET 80 13.913 10.491 -9.899 579 H CYS 81 H CYS 81 12.116 16.231 -4.275 580 HA CYS 81 HA CYS 81 9.724 17.630 -5.268 581 HB2 CYS 81 1HB CYS 81 9.239 16.956 -3.001 582 HB3 CYS 81 2HB CYS 81 10.785 17.578 -2.438 583 HG CYS 81 HG CYS 81 8.969 19.931 -3.926 584 H GLY 82 H GLY 82 10.820 18.872 -6.752 585 HA2 GLY 82 1HA GLY 82 11.862 20.833 -7.395 586 HA3 GLY 82 2HA GLY 82 12.200 21.161 -5.702 587 H GLN 83 H GLN 83 14.030 20.047 -4.720 588 HA GLN 83 HA GLN 83 16.044 19.162 -6.667 589 HB2 GLN 83 1HB GLN 83 16.495 21.508 -6.103 590 HB3 GLN 83 2HB GLN 83 16.521 21.097 -4.394 591 HG2 GLN 83 1HG GLN 83 18.767 21.280 -5.086 592 HG3 GLN 83 2HG GLN 83 18.436 19.560 -4.892 593 HE21 GLN 83 1HE2 GLN 83 19.290 18.363 -6.417 594 HE22 GLN 83 2HE2 GLN 83 19.523 18.817 -8.068 595 H GLU 84 H GLU 84 15.046 19.284 -3.275 596 HA GLU 84 HA GLU 84 16.910 17.342 -2.369 597 HB2 GLU 84 1HB GLU 84 14.435 18.590 -1.241 598 HB3 GLU 84 2HB GLU 84 15.121 17.177 -0.452 599 HG2 GLU 84 1HG GLU 84 15.835 19.402 0.463 600 HG3 GLU 84 2HG GLU 84 17.137 18.296 0.028 601 H ARG 85 H ARG 85 16.073 15.280 -1.263 602 HA ARG 85 HA ARG 85 13.843 13.994 -2.577 603 HB2 ARG 85 1HB ARG 85 15.690 13.700 -4.198 604 HB3 ARG 85 2HB ARG 85 16.642 12.913 -2.946 605 HG2 ARG 85 1HG ARG 85 14.961 11.136 -2.797 606 HG3 ARG 85 2HG ARG 85 14.035 11.920 -4.078 607 HD2 ARG 85 1HD ARG 85 16.864 10.908 -4.345 608 HD3 ARG 85 2HD ARG 85 15.425 10.056 -4.904 609 HE ARG 85 HE ARG 85 15.255 11.535 -6.673 610 HH11 ARG 85 2HH1 ARG 85 17.730 12.569 -4.454 611 HH12 ARG 85 1HH1 ARG 85 18.389 13.750 -5.536 612 HH21 ARG 85 2HH2 ARG 85 16.114 13.087 -8.107 613 HH22 ARG 85 1HH2 ARG 85 17.469 14.045 -7.613 614 H THR 86 H THR 86 13.271 11.972 -1.616 615 HA THR 86 HA THR 86 14.724 11.145 0.766 616 HB THR 86 HB THR 86 13.193 12.860 1.625 617 HG1 THR 86 1HG THR 86 12.906 10.153 2.288 618 HG21 THR 86 1HG2 THR 86 11.473 12.535 -0.189 619 HG22 THR 86 2HG2 THR 86 10.822 12.685 1.443 620 HG23 THR 86 3HG2 THR 86 10.935 11.099 0.681 621 H SER 87 H SER 87 14.507 9.006 1.208 622 HA SER 87 HA SER 87 12.603 7.494 -0.459 623 HB2 SER 87 1HB SER 87 15.293 6.533 0.541 624 HB3 SER 87 2HB SER 87 14.209 5.681 -0.558 625 HG SER 87 HG SER 87 15.941 6.803 -1.621 626 H ALA 88 H ALA 88 11.641 5.632 0.449 627 HA ALA 88 HA ALA 88 11.939 5.280 3.345 628 HB1 ALA 88 1HB ALA 88 9.547 6.254 1.935 629 HB2 ALA 88 2HB ALA 88 9.265 4.977 3.120 630 HB3 ALA 88 3HB ALA 88 10.051 6.477 3.611 631 H THR 89 H THR 89 12.338 3.213 3.731 632 HA THR 89 HA THR 89 11.863 1.187 1.759 633 HB THR 89 HB THR 89 12.790 0.862 4.619 634 HG1 THR 89 1HG THR 89 14.039 2.144 2.832 635 HG21 THR 89 1HG2 THR 89 12.928 -1.333 4.236 636 HG22 THR 89 2HG2 THR 89 13.756 -1.073 2.701 637 HG23 THR 89 3HG2 THR 89 11.994 -1.064 2.766 638 H LEU 90 H LEU 90 9.913 0.346 1.435 639 HA LEU 90 HA LEU 90 7.990 0.218 3.622 640 HB2 LEU 90 1HB LEU 90 7.135 1.095 1.581 641 HB3 LEU 90 2HB LEU 90 7.771 -0.267 0.661 642 HG LEU 90 HG LEU 90 6.123 -1.645 2.179 643 HD11 LEU 90 1HD1 LEU 90 5.554 0.447 3.490 644 HD12 LEU 90 2HD1 LEU 90 4.193 -0.501 2.893 645 HD13 LEU 90 3HD1 LEU 90 4.666 0.981 2.062 646 HD21 LEU 90 1HD2 LEU 90 5.685 -1.850 -0.046 647 HD22 LEU 90 2HD2 LEU 90 5.676 -0.108 -0.321 648 HD23 LEU 90 3HD2 LEU 90 4.283 -0.891 0.426 649 H THR 91 H THR 91 7.015 -1.678 4.333 650 HA THR 91 HA THR 91 8.411 -4.161 3.572 651 HB THR 91 HB THR 91 7.115 -3.654 6.250 652 HG1 THR 91 1HG THR 91 9.774 -3.190 5.369 653 HG21 THR 91 1HG2 THR 91 9.313 -5.604 5.694 654 HG22 THR 91 2HG2 THR 91 7.652 -6.017 5.268 655 HG23 THR 91 3HG2 THR 91 8.067 -5.645 6.941 656 H VAL 92 H VAL 92 7.199 -5.704 2.697 657 HA VAL 92 HA VAL 92 4.279 -5.578 3.086 658 HB VAL 92 HB VAL 92 5.798 -6.612 0.688 659 HG11 VAL 92 1HG1 VAL 92 3.134 -7.137 1.629 660 HG12 VAL 92 2HG1 VAL 92 3.085 -6.295 0.079 661 HG13 VAL 92 3HG1 VAL 92 3.980 -7.806 0.235 662 HG21 VAL 92 1HG2 VAL 92 3.859 -4.434 0.369 663 HG22 VAL 92 2HG2 VAL 92 5.289 -4.013 1.311 664 HG23 VAL 92 3HG2 VAL 92 5.466 -4.635 -0.330 665 H ARG 93 H ARG 93 3.571 -7.152 4.357 666 HA ARG 93 HA ARG 93 5.112 -9.552 4.783 667 HB2 ARG 93 1HB ARG 93 2.613 -8.390 5.951 668 HB3 ARG 93 2HB ARG 93 2.967 -10.095 6.199 669 HG2 ARG 93 1HG ARG 93 4.839 -9.657 7.479 670 HG3 ARG 93 2HG ARG 93 5.040 -8.036 6.812 671 HD2 ARG 93 1HD ARG 93 4.240 -7.713 8.999 672 HD3 ARG 93 2HD ARG 93 2.846 -7.457 7.950 673 HE ARG 93 HE ARG 93 2.949 -10.152 8.786 674 HH11 ARG 93 2HH1 ARG 93 2.232 -6.957 9.968 675 HH12 ARG 93 1HH1 ARG 93 1.123 -7.512 11.177 676 HH21 ARG 93 2HH2 ARG 93 1.490 -10.895 10.375 677 HH22 ARG 93 1HH2 ARG 93 0.702 -9.752 11.408 678 H ALA 94 H ALA 94 4.991 -11.261 3.499 679 HA ALA 94 HA ALA 94 3.097 -11.593 1.455 680 HB1 ALA 94 1HB ALA 94 4.825 -12.880 0.864 681 HB2 ALA 94 2HB ALA 94 5.349 -13.099 2.534 682 HB3 ALA 94 3HB ALA 94 4.075 -14.121 1.869 683 H LEU 95 H LEU 95 1.187 -12.642 1.327 684 HA LEU 95 HA LEU 95 -0.463 -12.998 3.474 685 HB2 LEU 95 1HB LEU 95 -0.437 -14.410 0.819 686 HB3 LEU 95 2HB LEU 95 -1.735 -14.614 1.994 687 HG LEU 95 HG LEU 95 -1.080 -12.277 0.266 688 HD11 LEU 95 1HD1 LEU 95 -2.845 -13.484 -0.592 689 HD12 LEU 95 2HD1 LEU 95 -3.679 -12.266 0.372 690 HD13 LEU 95 3HD1 LEU 95 -3.476 -13.900 1.001 691 HD21 LEU 95 1HD2 LEU 95 -2.627 -10.928 1.763 692 HD22 LEU 95 2HD2 LEU 95 -0.980 -11.178 2.345 693 HD23 LEU 95 3HD2 LEU 95 -2.305 -12.136 3.007 694 HA PRO 96 HA PRO 96 0.718 -16.640 5.623 695 HB2 PRO 96 1HB PRO 96 -1.695 -17.545 6.476 696 HB3 PRO 96 2HB PRO 96 -0.910 -16.116 7.157 697 HG2 PRO 96 1HG PRO 96 -3.083 -16.286 5.105 698 HG3 PRO 96 2HG PRO 96 -2.934 -15.186 6.488 699 HD2 PRO 96 1HD PRO 96 -2.315 -14.440 3.960 700 HD3 PRO 96 2HD PRO 96 -1.472 -13.790 5.381 701 H ALA 97 H ALA 97 1.495 -18.290 4.442 702 HA ALA 97 HA ALA 97 0.412 -19.514 2.241 703 HB1 ALA 97 1HB ALA 97 1.944 -21.304 2.581 704 HB2 ALA 97 2HB ALA 97 2.724 -19.829 3.153 705 HB3 ALA 97 3HB ALA 97 2.042 -20.971 4.311 706 H ARG 98 H ARG 98 -0.285 -21.886 2.127 707 HA ARG 98 HA ARG 98 -2.469 -22.273 4.056 708 HB2 ARG 98 1HB ARG 98 -2.992 -22.007 1.590 709 HB3 ARG 98 2HB ARG 98 -2.200 -23.557 1.339 710 HG2 ARG 98 1HG ARG 98 -4.363 -24.241 1.509 711 HG3 ARG 98 2HG ARG 98 -3.884 -24.340 3.204 712 HD2 ARG 98 1HD ARG 98 -5.944 -23.227 3.238 713 HD3 ARG 98 2HD ARG 98 -4.744 -21.946 3.406 714 HE ARG 98 HE ARG 98 -5.395 -22.325 0.683 715 HH11 ARG 98 2HH1 ARG 98 -6.680 -21.020 3.644 716 HH12 ARG 98 1HH1 ARG 98 -7.688 -19.858 2.847 717 HH21 ARG 98 2HH2 ARG 98 -6.718 -20.799 -0.378 718 HH22 ARG 98 1HH2 ARG 98 -7.709 -19.733 0.559 719 H PHE 99 H PHE 99 0.195 -23.047 4.701 720 HA PHE 99 HA PHE 99 0.516 -25.857 4.260 721 HB2 PHE 99 1HB PHE 99 1.920 -23.790 5.912 722 HB3 PHE 99 2HB PHE 99 2.231 -25.495 6.217 723 HD1 PHE 99 2HD PHE 99 2.775 -26.910 4.058 724 HD2 PHE 99 1HD PHE 99 3.239 -22.692 4.390 725 HE1 PHE 99 2HE PHE 99 4.396 -26.946 2.208 726 HE2 PHE 99 1HE PHE 99 4.861 -22.721 2.540 727 HZ PHE 99 HZ PHE 99 5.442 -24.850 1.447 728 H THR 100 H THR 100 0.103 -27.551 5.625 729 HA THR 100 HA THR 100 -2.002 -27.170 7.537 730 HB THR 100 HB THR 100 -1.817 -29.632 7.887 731 HG1 THR 100 1HG THR 100 0.521 -29.194 6.480 732 HG21 THR 100 1HG2 THR 100 -2.153 -30.116 5.283 733 HG22 THR 100 2HG2 THR 100 -2.246 -28.355 5.243 734 HG23 THR 100 3HG2 THR 100 -3.363 -29.275 6.251 735 H GLU 101 H GLU 101 -1.920 -27.246 9.729 736 HA GLU 101 HA GLU 101 0.746 -27.142 10.933 737 HB2 GLU 101 1HB GLU 101 -1.960 -26.349 12.023 738 HB3 GLU 101 2HB GLU 101 -0.449 -26.218 12.913 739 HG2 GLU 101 1HG GLU 101 0.297 -24.813 10.834 740 HG3 GLU 101 2HG GLU 101 -1.440 -24.615 10.612 741 H GLY 102 H GLY 102 -2.442 -28.593 11.619 742 HA2 GLY 102 1HA GLY 102 -2.132 -31.133 11.949 743 HA3 GLY 102 2HA GLY 102 -1.079 -30.621 13.259 744 H SER 103 H SER 103 -2.594 -31.953 14.536 745 HA SER 103 HA SER 103 -4.744 -30.263 15.568 746 HB2 SER 103 1HB SER 103 -5.110 -33.131 14.678 747 HB3 SER 103 2HB SER 103 -6.269 -32.255 15.678 748 HG SER 103 HG SER 103 -5.451 -31.627 13.035 749 H GLY 104 H GLY 104 -5.436 -30.845 17.719 750 HA2 GLY 104 1HA GLY 104 -5.003 -32.600 19.520 751 HA3 GLY 104 2HA GLY 104 -3.310 -32.271 19.185 752 HA PRO 105 HA PRO 105 -5.303 -28.391 21.352 753 HB2 PRO 105 1HB PRO 105 -7.473 -28.976 22.876 754 HB3 PRO 105 2HB PRO 105 -7.594 -28.467 21.188 755 HG2 PRO 105 1HG PRO 105 -7.717 -31.223 22.348 756 HG3 PRO 105 2HG PRO 105 -8.722 -30.497 21.081 757 HD2 PRO 105 1HD PRO 105 -6.664 -32.168 20.529 758 HD3 PRO 105 2HD PRO 105 -7.132 -30.840 19.448 759 H SER 106 H SER 106 -5.646 -27.893 23.803 760 HA SER 106 HA SER 106 -4.046 -29.839 25.331 761 HB2 SER 106 1HB SER 106 -4.144 -26.824 25.463 762 HB3 SER 106 2HB SER 106 -3.406 -27.806 26.728 763 HG SER 106 HG SER 106 -2.207 -26.964 24.631 764 H SER 107 H SER 107 -4.372 -29.573 27.771 765 HA SER 107 HA SER 107 -7.168 -28.976 28.431 766 HB2 SER 107 1HB SER 107 -6.768 -31.468 27.961 767 HB3 SER 107 2HB SER 107 -5.824 -31.477 29.450 768 HG SER 107 HG SER 107 -7.761 -31.898 30.234 769 H GLY 108 H GLY 108 -7.557 -28.654 30.710 770 HA2 GLY 108 1HA GLY 108 -7.041 -27.580 32.677 771 HA3 GLY 108 2HA GLY 108 -5.722 -28.738 32.761 Start of MODEL 4 1 H1 GLY 1 H GLY 1 10.428 41.649 4.568 2 HA2 GLY 1 1HA GLY 1 13.033 41.422 5.179 3 HA3 GLY 1 2HA GLY 1 12.346 40.067 6.062 4 H SER 2 H SER 2 13.075 38.350 4.942 5 HA SER 2 HA SER 2 12.062 38.010 2.231 6 HB2 SER 2 1HB SER 2 14.420 38.958 2.113 7 HB3 SER 2 2HB SER 2 14.968 37.443 2.830 8 HG SER 2 HG SER 2 15.091 37.113 0.676 9 H SER 3 H SER 3 11.624 35.904 1.695 10 HA SER 3 HA SER 3 12.217 33.880 3.754 11 HB2 SER 3 1HB SER 3 10.039 32.845 3.257 12 HB3 SER 3 2HB SER 3 9.842 34.507 3.811 13 HG SER 3 HG SER 3 9.562 33.457 1.211 14 H GLY 4 H GLY 4 13.788 34.464 1.419 15 HA2 GLY 4 1HA GLY 4 13.527 31.860 0.063 16 HA3 GLY 4 2HA GLY 4 13.760 33.326 -0.879 17 H SER 5 H SER 5 15.232 31.307 1.628 18 HA SER 5 HA SER 5 17.826 32.541 1.210 19 HB2 SER 5 1HB SER 5 16.843 30.359 3.050 20 HB3 SER 5 2HB SER 5 18.548 30.790 2.921 21 HG SER 5 HG SER 5 17.511 33.055 3.276 22 H SER 6 H SER 6 16.358 29.328 0.803 23 HA SER 6 HA SER 6 18.683 28.452 -0.732 24 HB2 SER 6 1HB SER 6 17.353 27.082 1.098 25 HB3 SER 6 2HB SER 6 16.305 26.699 -0.267 26 HG SER 6 HG SER 6 18.561 26.254 -1.276 27 H GLY 7 H GLY 7 15.134 28.502 -1.106 28 HA2 GLY 7 1HA GLY 7 14.468 29.643 -3.282 29 HA3 GLY 7 2HA GLY 7 15.545 28.471 -4.028 30 HA PRO 8 HA PRO 8 12.138 25.749 -4.504 31 HB2 PRO 8 1HB PRO 8 13.434 23.365 -4.557 32 HB3 PRO 8 2HB PRO 8 13.491 24.518 -5.895 33 HG2 PRO 8 1HG PRO 8 15.498 24.032 -3.728 34 HG3 PRO 8 2HG PRO 8 15.764 24.288 -5.462 35 HD2 PRO 8 1HD PRO 8 16.111 26.251 -3.629 36 HD3 PRO 8 2HD PRO 8 15.556 26.577 -5.284 37 H ALA 9 H ALA 9 10.839 24.252 -3.397 38 HA ALA 9 HA ALA 9 10.913 24.367 -0.596 39 HB1 ALA 9 1HB ALA 9 8.795 23.871 -1.101 40 HB2 ALA 9 2HB ALA 9 9.242 23.113 -2.630 41 HB3 ALA 9 3HB ALA 9 9.330 22.191 -1.129 42 H ARG 10 H ARG 10 11.750 23.071 0.944 43 HA ARG 10 HA ARG 10 13.182 20.655 0.048 44 HB2 ARG 10 1HB ARG 10 14.817 21.067 1.825 45 HB3 ARG 10 2HB ARG 10 14.738 22.423 0.708 46 HG2 ARG 10 1HG ARG 10 13.828 23.829 2.258 47 HG3 ARG 10 2HG ARG 10 13.056 22.519 3.154 48 HD2 ARG 10 1HD ARG 10 15.224 21.820 4.020 49 HD3 ARG 10 2HD ARG 10 16.017 23.093 3.093 50 HE ARG 10 HE ARG 10 14.091 24.290 4.714 51 HH11 ARG 10 2HH1 ARG 10 17.074 22.526 5.044 52 HH12 ARG 10 1HH1 ARG 10 17.516 23.297 6.531 53 HH21 ARG 10 2HH2 ARG 10 14.662 25.312 6.671 54 HH22 ARG 10 1HH2 ARG 10 16.144 24.881 7.456 55 H PHE 11 H PHE 11 13.145 18.842 1.395 56 HA PHE 11 HA PHE 11 10.747 18.420 2.819 57 HB2 PHE 11 1HB PHE 11 13.289 16.842 2.520 58 HB3 PHE 11 2HB PHE 11 12.010 16.297 3.600 59 HD1 PHE 11 1HD PHE 11 9.669 16.016 2.590 60 HD2 PHE 11 2HD PHE 11 13.220 16.322 0.263 61 HE1 PHE 11 1HE PHE 11 8.509 14.968 0.689 62 HE2 PHE 11 2HE PHE 11 12.066 15.276 -1.641 63 HZ PHE 11 HZ PHE 11 9.707 14.598 -1.430 64 H THR 12 H THR 12 10.309 18.271 4.995 65 HA THR 12 HA THR 12 12.368 19.387 6.785 66 HB THR 12 HB THR 12 10.506 20.211 8.199 67 HG1 THR 12 1HG THR 12 8.709 19.804 6.081 68 HG21 THR 12 1HG2 THR 12 9.937 22.096 6.839 69 HG22 THR 12 2HG2 THR 12 10.238 21.188 5.357 70 HG23 THR 12 3HG2 THR 12 11.580 21.615 6.418 71 H GLN 13 H GLN 13 10.023 16.863 6.289 72 HA GLN 13 HA GLN 13 10.988 15.551 8.741 73 HB2 GLN 13 1HB GLN 13 8.208 15.974 7.774 74 HB3 GLN 13 2HB GLN 13 8.572 14.429 8.530 75 HG2 GLN 13 1HG GLN 13 9.508 15.747 10.471 76 HG3 GLN 13 2HG GLN 13 8.781 17.171 9.730 77 HE21 GLN 13 1HE2 GLN 13 8.323 14.802 11.952 78 HE22 GLN 13 2HE2 GLN 13 6.598 14.824 12.052 79 H ASP 14 H ASP 14 12.308 14.001 8.023 80 HA ASP 14 HA ASP 14 12.536 12.801 5.627 81 HB2 ASP 14 1HB ASP 14 12.677 11.043 8.054 82 HB3 ASP 14 2HB ASP 14 13.739 11.085 6.649 83 H LEU 15 H LEU 15 11.308 11.618 4.324 84 HA LEU 15 HA LEU 15 8.664 10.921 4.922 85 HB2 LEU 15 1HB LEU 15 9.713 11.262 2.648 86 HB3 LEU 15 2HB LEU 15 10.362 9.631 2.799 87 HG LEU 15 HG LEU 15 7.419 10.073 3.059 88 HD11 LEU 15 1HD1 LEU 15 8.766 9.667 0.404 89 HD12 LEU 15 2HD1 LEU 15 8.285 11.257 0.995 90 HD13 LEU 15 3HD1 LEU 15 7.067 10.009 0.731 91 HD21 LEU 15 1HD2 LEU 15 8.524 7.803 1.569 92 HD22 LEU 15 2HD2 LEU 15 7.291 7.845 2.829 93 HD23 LEU 15 3HD2 LEU 15 9.000 7.871 3.266 94 H LYS 16 H LYS 16 7.667 8.983 5.413 95 HA LYS 16 HA LYS 16 9.384 6.693 6.050 96 HB2 LYS 16 1HB LYS 16 7.677 8.244 7.922 97 HB3 LYS 16 2HB LYS 16 7.652 6.493 8.088 98 HG2 LYS 16 1HG LYS 16 10.159 8.158 8.110 99 HG3 LYS 16 2HG LYS 16 9.295 7.632 9.556 100 HD2 LYS 16 1HD LYS 16 10.498 5.826 7.457 101 HD3 LYS 16 2HD LYS 16 11.177 6.152 9.054 102 HE2 LYS 16 1HE LYS 16 8.603 4.733 8.398 103 HE3 LYS 16 2HE LYS 16 10.041 4.058 9.163 104 HZ1 LYS 16 1HZ LYS 16 9.550 5.897 10.920 105 HZ2 LYS 16 2HZ LYS 16 8.708 4.431 10.965 106 HZ3 LYS 16 3HZ LYS 16 7.978 5.806 10.303 107 H THR 17 H THR 17 7.992 4.722 6.577 108 HA THR 17 HA THR 17 5.464 4.742 5.088 109 HB THR 17 HB THR 17 7.118 3.942 3.496 110 HG1 THR 17 1HG THR 17 5.912 1.542 4.274 111 HG21 THR 17 1HG2 THR 17 8.687 3.121 5.350 112 HG22 THR 17 2HG2 THR 17 8.589 2.152 3.880 113 HG23 THR 17 3HG2 THR 17 7.728 1.642 5.332 114 H LYS 18 H LYS 18 4.521 2.343 5.286 115 HA LYS 18 HA LYS 18 4.806 1.522 8.101 116 HB2 LYS 18 1HB LYS 18 2.438 1.178 8.268 117 HB3 LYS 18 2HB LYS 18 2.707 2.810 7.668 118 HG2 LYS 18 1HG LYS 18 1.071 2.179 6.238 119 HG3 LYS 18 2HG LYS 18 2.460 1.578 5.329 120 HD2 LYS 18 1HD LYS 18 1.175 -0.302 5.294 121 HD3 LYS 18 2HD LYS 18 2.013 -0.575 6.824 122 HE2 LYS 18 1HE LYS 18 -0.011 0.787 7.801 123 HE3 LYS 18 2HE LYS 18 -0.804 0.262 6.316 124 HZ1 LYS 18 1HZ LYS 18 -1.207 -1.659 7.311 125 HZ2 LYS 18 2HZ LYS 18 -0.317 -1.209 8.676 126 HZ3 LYS 18 3HZ LYS 18 0.455 -1.967 7.376 127 H GLU 19 H GLU 19 3.860 -0.714 8.475 128 HA GLU 19 HA GLU 19 4.703 -2.455 6.260 129 HB2 GLU 19 1HB GLU 19 5.052 -4.184 7.987 130 HB3 GLU 19 2HB GLU 19 6.025 -2.748 8.272 131 HG2 GLU 19 1HG GLU 19 3.381 -2.913 9.602 132 HG3 GLU 19 2HG GLU 19 4.678 -3.944 10.203 133 H ALA 20 H ALA 20 3.325 -3.883 5.376 134 HA ALA 20 HA ALA 20 0.827 -4.530 6.742 135 HB1 ALA 20 1HB ALA 20 0.863 -2.527 4.857 136 HB2 ALA 20 2HB ALA 20 0.351 -3.939 3.933 137 HB3 ALA 20 3HB ALA 20 -0.554 -3.447 5.364 138 H SER 21 H SER 21 -0.419 -6.219 5.476 139 HA SER 21 HA SER 21 1.495 -8.208 4.505 140 HB2 SER 21 1HB SER 21 -1.387 -8.492 5.390 141 HB3 SER 21 2HB SER 21 -0.364 -9.824 4.852 142 HG SER 21 HG SER 21 0.563 -8.164 6.906 143 H GLU 22 H GLU 22 1.084 -9.441 2.608 144 HA GLU 22 HA GLU 22 0.603 -8.128 0.306 145 HB2 GLU 22 1HB GLU 22 0.230 -10.989 1.070 146 HB3 GLU 22 2HB GLU 22 -0.323 -10.469 -0.516 147 HG2 GLU 22 1HG GLU 22 1.954 -9.585 -0.958 148 HG3 GLU 22 2HG GLU 22 2.473 -10.283 0.576 149 H GLY 23 H GLY 23 -1.071 -7.314 -0.810 150 HA2 GLY 23 1HA GLY 23 -3.317 -7.237 -1.556 151 HA3 GLY 23 2HA GLY 23 -3.792 -8.170 -0.145 152 H ALA 24 H ALA 24 -2.408 -6.546 1.777 153 HA ALA 24 HA ALA 24 -4.405 -4.669 2.362 154 HB1 ALA 24 1HB ALA 24 -1.722 -4.208 3.511 155 HB2 ALA 24 2HB ALA 24 -3.294 -4.327 4.303 156 HB3 ALA 24 3HB ALA 24 -2.446 -5.790 3.800 157 H THR 25 H THR 25 -3.416 -2.304 3.035 158 HA THR 25 HA THR 25 -2.162 -1.198 0.613 159 HB THR 25 HB THR 25 -4.566 -0.067 2.057 160 HG1 THR 25 1HG THR 25 -5.460 -1.325 0.585 161 HG21 THR 25 1HG2 THR 25 -3.704 1.923 1.455 162 HG22 THR 25 2HG2 THR 25 -4.212 1.469 -0.171 163 HG23 THR 25 3HG2 THR 25 -2.548 1.194 0.342 164 H ALA 26 H ALA 26 -0.399 -0.067 1.071 165 HA ALA 26 HA ALA 26 0.233 0.627 3.799 166 HB1 ALA 26 1HB ALA 26 2.315 0.380 3.079 167 HB2 ALA 26 2HB ALA 26 1.702 0.084 1.451 168 HB3 ALA 26 3HB ALA 26 2.112 1.724 1.954 169 H THR 27 H THR 27 1.291 2.860 4.144 170 HA THR 27 HA THR 27 0.067 5.022 2.651 171 HB THR 27 HB THR 27 -0.512 4.746 5.606 172 HG1 THR 27 1HG THR 27 -2.172 4.359 3.322 173 HG21 THR 27 1HG2 THR 27 -0.587 6.966 3.785 174 HG22 THR 27 2HG2 THR 27 -0.929 6.933 5.515 175 HG23 THR 27 3HG2 THR 27 -2.215 6.601 4.355 176 H LEU 28 H LEU 28 1.906 6.092 2.228 177 HA LEU 28 HA LEU 28 3.851 6.506 4.377 178 HB2 LEU 28 1HB LEU 28 4.083 7.145 1.441 179 HB3 LEU 28 2HB LEU 28 5.376 7.225 2.636 180 HG LEU 28 HG LEU 28 4.733 4.646 2.897 181 HD11 LEU 28 1HD1 LEU 28 4.574 4.143 0.212 182 HD12 LEU 28 2HD1 LEU 28 3.478 5.510 0.409 183 HD13 LEU 28 3HD1 LEU 28 3.235 4.042 1.355 184 HD21 LEU 28 1HD2 LEU 28 6.605 4.145 1.446 185 HD22 LEU 28 2HD2 LEU 28 6.947 5.597 2.387 186 HD23 LEU 28 3HD2 LEU 28 6.479 5.734 0.691 187 H GLN 29 H GLN 29 4.524 8.542 5.028 188 HA GLN 29 HA GLN 29 2.975 10.823 4.003 189 HB2 GLN 29 1HB GLN 29 3.446 10.025 6.867 190 HB3 GLN 29 2HB GLN 29 3.039 11.677 6.421 191 HG2 GLN 29 1HG GLN 29 0.938 10.978 5.508 192 HG3 GLN 29 2HG GLN 29 1.356 9.280 5.738 193 HE21 GLN 29 1HE2 GLN 29 0.423 8.381 7.415 194 HE22 GLN 29 2HE2 GLN 29 -0.033 9.173 8.882 195 H CYS 30 H CYS 30 4.030 12.797 3.942 196 HA CYS 30 HA CYS 30 6.732 13.017 4.975 197 HB2 CYS 30 1HB CYS 30 7.835 13.347 2.927 198 HB3 CYS 30 2HB CYS 30 6.809 11.947 2.640 199 HG CYS 30 HG CYS 30 4.817 14.101 1.688 200 H GLU 31 H GLU 31 7.389 15.119 5.295 201 HA GLU 31 HA GLU 31 5.326 17.157 4.811 202 HB2 GLU 31 1HB GLU 31 6.264 16.524 7.183 203 HB3 GLU 31 2HB GLU 31 7.604 17.560 6.710 204 HG2 GLU 31 1HG GLU 31 6.198 19.449 6.511 205 HG3 GLU 31 2HG GLU 31 4.742 18.462 6.618 206 H LEU 32 H LEU 32 5.987 19.294 4.197 207 HA LEU 32 HA LEU 32 8.628 19.428 2.909 208 HB2 LEU 32 1HB LEU 32 5.984 20.291 1.752 209 HB3 LEU 32 2HB LEU 32 7.550 20.718 1.065 210 HG LEU 32 HG LEU 32 6.596 17.878 1.391 211 HD11 LEU 32 1HD1 LEU 32 6.647 18.660 -1.322 212 HD12 LEU 32 2HD1 LEU 32 5.691 19.856 -0.447 213 HD13 LEU 32 3HD1 LEU 32 5.263 18.147 -0.356 214 HD21 LEU 32 1HD2 LEU 32 8.864 17.717 1.127 215 HD22 LEU 32 2HD2 LEU 32 8.975 19.211 0.196 216 HD23 LEU 32 3HD2 LEU 32 8.354 17.743 -0.561 217 H SER 33 H SER 33 9.476 21.566 2.627 218 HA SER 33 HA SER 33 9.115 23.229 4.862 219 HB2 SER 33 1HB SER 33 11.215 23.165 3.598 220 HB3 SER 33 2HB SER 33 10.406 23.871 2.198 221 HG SER 33 HG SER 33 10.230 25.237 4.623 222 H LYS 34 H LYS 34 7.700 23.258 1.665 223 HA LYS 34 HA LYS 34 5.620 25.032 2.523 224 HB2 LYS 34 1HB LYS 34 6.019 26.837 0.975 225 HB3 LYS 34 2HB LYS 34 7.447 26.631 1.981 226 HG2 LYS 34 1HG LYS 34 8.702 25.747 0.245 227 HG3 LYS 34 2HG LYS 34 7.274 25.312 -0.697 228 HD2 LYS 34 1HD LYS 34 6.807 27.712 -1.038 229 HD3 LYS 34 2HD LYS 34 8.287 28.104 -0.161 230 HE2 LYS 34 1HE LYS 34 9.568 26.813 -1.843 231 HE3 LYS 34 2HE LYS 34 8.073 26.557 -2.742 232 HZ1 LYS 34 1HZ LYS 34 9.127 29.249 -2.090 233 HZ2 LYS 34 2HZ LYS 34 7.890 28.859 -3.174 234 HZ3 LYS 34 3HZ LYS 34 9.489 28.441 -3.531 235 H VAL 35 H VAL 35 3.922 25.255 0.935 236 HA VAL 35 HA VAL 35 3.259 22.925 -0.386 237 HB VAL 35 HB VAL 35 2.328 25.713 -1.089 238 HG11 VAL 35 1HG1 VAL 35 0.814 23.156 -1.516 239 HG12 VAL 35 2HG1 VAL 35 0.505 24.752 -2.204 240 HG13 VAL 35 3HG1 VAL 35 1.898 23.812 -2.742 241 HG21 VAL 35 1HG2 VAL 35 0.952 23.728 0.703 242 HG22 VAL 35 2HG2 VAL 35 2.068 24.948 1.318 243 HG23 VAL 35 3HG2 VAL 35 0.593 25.442 0.487 244 H ALA 36 H ALA 36 4.356 21.967 -1.966 245 HA ALA 36 HA ALA 36 4.901 23.440 -4.410 246 HB1 ALA 36 1HB ALA 36 7.253 22.577 -4.494 247 HB2 ALA 36 2HB ALA 36 6.962 23.829 -3.286 248 HB3 ALA 36 3HB ALA 36 7.083 22.139 -2.794 249 HA PRO 37 HA PRO 37 3.775 19.631 -6.284 250 HB2 PRO 37 1HB PRO 37 5.113 19.811 -8.639 251 HB3 PRO 37 2HB PRO 37 3.683 20.782 -8.270 252 HG2 PRO 37 1HG PRO 37 6.576 21.537 -8.117 253 HG3 PRO 37 2HG PRO 37 5.208 22.472 -8.748 254 HD2 PRO 37 1HD PRO 37 6.250 22.897 -6.286 255 HD3 PRO 37 2HD PRO 37 4.528 23.134 -6.648 256 H VAL 38 H VAL 38 4.448 17.597 -6.022 257 HA VAL 38 HA VAL 38 7.341 17.045 -6.132 258 HB VAL 38 HB VAL 38 6.971 15.294 -4.395 259 HG11 VAL 38 1HG1 VAL 38 7.750 17.704 -3.978 260 HG12 VAL 38 2HG1 VAL 38 6.138 17.963 -3.309 261 HG13 VAL 38 3HG1 VAL 38 7.208 16.758 -2.592 262 HG21 VAL 38 1HG2 VAL 38 4.891 14.700 -3.890 263 HG22 VAL 38 2HG2 VAL 38 4.668 16.272 -3.123 264 HG23 VAL 38 3HG2 VAL 38 4.234 16.048 -4.818 265 H GLU 39 H GLU 39 7.712 14.576 -6.297 266 HA GLU 39 HA GLU 39 5.670 13.236 -7.894 267 HB2 GLU 39 1HB GLU 39 6.950 14.358 -9.593 268 HB3 GLU 39 2HB GLU 39 8.464 13.828 -8.874 269 HG2 GLU 39 1HG GLU 39 8.247 11.680 -9.660 270 HG3 GLU 39 2HG GLU 39 6.493 11.794 -9.796 271 H TRP 40 H TRP 40 5.417 11.310 -6.999 272 HA TRP 40 HA TRP 40 7.449 10.137 -5.338 273 HB2 TRP 40 1HB TRP 40 4.763 9.066 -6.230 274 HB3 TRP 40 2HB TRP 40 5.797 8.319 -5.015 275 HD1 TRP 40 HD TRP 40 3.875 11.640 -5.565 276 HE1 TRP 40 1HE TRP 40 3.150 12.527 -3.260 277 HE3 TRP 40 3HE TRP 40 6.126 8.135 -2.602 278 HZ2 TRP 40 2HZ TRP 40 3.489 11.833 -0.545 279 HZ3 TRP 40 3HZ TRP 40 5.878 8.318 -0.161 280 HH2 TRP 40 HH TRP 40 4.586 10.130 0.844 281 H LYS 41 H LYS 41 8.566 8.216 -5.681 282 HA LYS 41 HA LYS 41 8.419 7.048 -8.370 283 HB2 LYS 41 1HB LYS 41 10.764 8.337 -7.069 284 HB3 LYS 41 2HB LYS 41 11.059 6.874 -7.999 285 HG2 LYS 41 1HG LYS 41 9.596 8.173 -9.790 286 HG3 LYS 41 2HG LYS 41 10.222 9.566 -8.906 287 HD2 LYS 41 1HD LYS 41 12.487 8.876 -9.309 288 HD3 LYS 41 2HD LYS 41 11.945 7.353 -10.017 289 HE2 LYS 41 1HE LYS 41 11.217 8.366 -11.961 290 HE3 LYS 41 2HE LYS 41 11.022 9.940 -11.191 291 HZ1 LYS 41 1HZ LYS 41 13.102 9.230 -12.750 292 HZ2 LYS 41 2HZ LYS 41 13.734 8.968 -11.203 293 HZ3 LYS 41 3HZ LYS 41 13.129 10.491 -11.622 294 H LYS 42 H LYS 42 9.008 4.874 -8.512 295 HA LYS 42 HA LYS 42 9.237 3.500 -5.916 296 HB2 LYS 42 1HB LYS 42 7.142 3.074 -7.204 297 HB3 LYS 42 2HB LYS 42 8.120 2.398 -8.500 298 HG2 LYS 42 1HG LYS 42 8.758 0.551 -7.211 299 HG3 LYS 42 2HG LYS 42 8.242 1.316 -5.706 300 HD2 LYS 42 1HD LYS 42 5.967 1.011 -6.205 301 HD3 LYS 42 2HD LYS 42 6.298 0.684 -7.908 302 HE2 LYS 42 1HE LYS 42 7.606 -1.355 -7.037 303 HE3 LYS 42 2HE LYS 42 6.741 -1.084 -5.525 304 HZ1 LYS 42 1HZ LYS 42 5.822 -2.307 -7.909 305 HZ2 LYS 42 2HZ LYS 42 4.836 -0.990 -7.518 306 HZ3 LYS 42 3HZ LYS 42 5.074 -2.231 -6.394 307 H GLY 43 H GLY 43 11.311 4.557 -7.921 308 HA2 GLY 43 1HA GLY 43 13.472 3.130 -7.502 309 HA3 GLY 43 2HA GLY 43 12.657 2.052 -8.625 310 HA PRO 44 HA PRO 44 15.268 4.587 -11.337 311 HB2 PRO 44 1HB PRO 44 15.392 2.721 -13.306 312 HB3 PRO 44 2HB PRO 44 16.435 2.684 -11.879 313 HG2 PRO 44 1HG PRO 44 13.928 1.145 -12.432 314 HG3 PRO 44 2HG PRO 44 15.450 0.585 -11.715 315 HD2 PRO 44 1HD PRO 44 13.271 1.186 -10.224 316 HD3 PRO 44 2HD PRO 44 14.928 1.431 -9.636 317 H GLU 45 H GLU 45 12.085 3.774 -11.342 318 HA GLU 45 HA GLU 45 11.624 5.042 -13.963 319 HB2 GLU 45 1HB GLU 45 10.321 2.712 -12.654 320 HB3 GLU 45 2HB GLU 45 9.291 3.794 -13.580 321 HG2 GLU 45 1HG GLU 45 11.590 2.129 -14.529 322 HG3 GLU 45 2HG GLU 45 9.917 2.125 -15.084 323 H THR 46 H THR 46 9.224 5.909 -13.994 324 HA THR 46 HA THR 46 8.917 7.564 -11.576 325 HB THR 46 HB THR 46 7.767 8.275 -14.263 326 HG1 THR 46 1HG THR 46 10.217 9.351 -13.389 327 HG21 THR 46 1HG2 THR 46 7.027 10.063 -13.160 328 HG22 THR 46 2HG2 THR 46 8.681 10.482 -12.714 329 HG23 THR 46 3HG2 THR 46 7.725 9.431 -11.670 330 H LEU 47 H LEU 47 6.956 7.724 -10.579 331 HA LEU 47 HA LEU 47 4.927 5.791 -11.424 332 HB2 LEU 47 1HB LEU 47 5.500 7.196 -8.836 333 HB3 LEU 47 2HB LEU 47 3.967 6.374 -9.118 334 HG LEU 47 HG LEU 47 6.715 5.152 -8.965 335 HD11 LEU 47 1HD1 LEU 47 6.166 4.785 -6.852 336 HD12 LEU 47 2HD1 LEU 47 4.774 3.843 -7.385 337 HD13 LEU 47 3HD1 LEU 47 4.608 5.574 -7.096 338 HD21 LEU 47 1HD2 LEU 47 5.073 3.036 -9.202 339 HD22 LEU 47 2HD2 LEU 47 5.940 3.756 -10.559 340 HD23 LEU 47 3HD2 LEU 47 4.253 4.180 -10.264 341 H ARG 48 H ARG 48 2.607 6.569 -10.687 342 HA ARG 48 HA ARG 48 2.111 9.373 -11.202 343 HB2 ARG 48 1HB ARG 48 1.583 7.243 -13.209 344 HB3 ARG 48 2HB ARG 48 0.352 8.483 -13.007 345 HG2 ARG 48 1HG ARG 48 3.248 9.092 -13.544 346 HG3 ARG 48 2HG ARG 48 2.030 8.921 -14.809 347 HD2 ARG 48 1HD ARG 48 1.559 10.795 -12.530 348 HD3 ARG 48 2HD ARG 48 2.610 11.279 -13.859 349 HE ARG 48 HE ARG 48 -0.233 11.126 -13.899 350 HH11 ARG 48 2HH1 ARG 48 2.612 10.735 -15.867 351 HH12 ARG 48 1HH1 ARG 48 1.793 11.092 -17.351 352 HH21 ARG 48 2HH2 ARG 48 -1.322 11.599 -15.846 353 HH22 ARG 48 1HH2 ARG 48 -0.444 11.585 -17.338 354 H ASP 49 H ASP 49 -0.226 9.898 -11.019 355 HA ASP 49 HA ASP 49 -1.406 8.290 -8.897 356 HB2 ASP 49 1HB ASP 49 -2.860 10.173 -8.498 357 HB3 ASP 49 2HB ASP 49 -1.212 10.769 -8.678 358 H GLY 50 H GLY 50 -2.751 6.702 -9.418 359 HA2 GLY 50 1HA GLY 50 -5.162 6.695 -10.463 360 HA3 GLY 50 2HA GLY 50 -4.226 6.836 -11.944 361 H GLY 51 H GLY 51 -5.928 4.708 -11.561 362 HA2 GLY 51 1HA GLY 51 -5.909 2.430 -11.896 363 HA3 GLY 51 2HA GLY 51 -4.154 2.513 -11.956 364 H ARG 52 H ARG 52 -2.960 2.034 -10.150 365 HA ARG 52 HA ARG 52 -4.482 1.188 -7.773 366 HB2 ARG 52 1HB ARG 52 -2.206 -0.187 -9.183 367 HB3 ARG 52 2HB ARG 52 -2.586 -0.526 -7.500 368 HG2 ARG 52 1HG ARG 52 -4.823 -1.242 -8.131 369 HG3 ARG 52 2HG ARG 52 -4.475 -0.866 -9.819 370 HD2 ARG 52 1HD ARG 52 -3.030 -2.906 -8.132 371 HD3 ARG 52 2HD ARG 52 -4.250 -3.261 -9.355 372 HE ARG 52 HE ARG 52 -2.082 -1.743 -10.416 373 HH11 ARG 52 2HH1 ARG 52 -3.073 -4.952 -9.500 374 HH12 ARG 52 1HH1 ARG 52 -1.985 -5.741 -10.593 375 HH21 ARG 52 2HH2 ARG 52 -0.645 -2.770 -11.860 376 HH22 ARG 52 1HH2 ARG 52 -0.604 -4.499 -11.935 377 H TYR 53 H TYR 53 -3.376 3.751 -8.097 378 HA TYR 53 HA TYR 53 -1.560 3.780 -5.833 379 HB2 TYR 53 1HB TYR 53 -0.802 4.918 -8.529 380 HB3 TYR 53 2HB TYR 53 0.029 5.317 -7.029 381 HD1 TYR 53 1HD TYR 53 1.107 3.403 -5.723 382 HD2 TYR 53 2HD TYR 53 -0.202 3.014 -9.753 383 HE1 TYR 53 1HE TYR 53 2.555 1.434 -5.997 384 HE2 TYR 53 2HE TYR 53 1.242 1.044 -10.038 385 HH TYR 53 HH TYR 53 2.625 -0.385 -9.046 386 H SER 54 H SER 54 -1.993 5.441 -4.522 387 HA SER 54 HA SER 54 -3.519 7.714 -5.614 388 HB2 SER 54 1HB SER 54 -4.700 5.935 -4.040 389 HB3 SER 54 2HB SER 54 -3.916 6.878 -2.773 390 HG SER 54 HG SER 54 -5.334 8.390 -3.074 391 H LEU 55 H LEU 55 -2.484 9.574 -5.398 392 HA LEU 55 HA LEU 55 -0.726 9.960 -3.071 393 HB2 LEU 55 1HB LEU 55 -0.035 11.224 -5.676 394 HB3 LEU 55 2HB LEU 55 1.010 10.789 -4.326 395 HG LEU 55 HG LEU 55 0.566 8.358 -5.017 396 HD11 LEU 55 1HD1 LEU 55 0.210 9.153 -7.786 397 HD12 LEU 55 2HD1 LEU 55 -1.183 9.553 -6.781 398 HD13 LEU 55 3HD1 LEU 55 -0.598 7.891 -6.856 399 HD21 LEU 55 1HD2 LEU 55 2.408 10.344 -5.978 400 HD22 LEU 55 2HD2 LEU 55 2.114 9.125 -7.219 401 HD23 LEU 55 3HD2 LEU 55 2.684 8.638 -5.622 402 H LYS 56 H LYS 56 -1.899 11.361 -1.896 403 HA LYS 56 HA LYS 56 -3.128 13.660 -3.242 404 HB2 LYS 56 1HB LYS 56 -4.541 13.899 -1.368 405 HB3 LYS 56 2HB LYS 56 -4.451 12.166 -1.656 406 HG2 LYS 56 1HG LYS 56 -2.615 12.127 0.102 407 HG3 LYS 56 2HG LYS 56 -3.124 13.768 0.507 408 HD2 LYS 56 1HD LYS 56 -4.276 12.321 1.990 409 HD3 LYS 56 2HD LYS 56 -5.458 12.844 0.788 410 HE2 LYS 56 1HE LYS 56 -5.183 10.752 -0.419 411 HE3 LYS 56 2HE LYS 56 -3.945 10.234 0.724 412 HZ1 LYS 56 1HZ LYS 56 -5.990 10.787 2.359 413 HZ2 LYS 56 2HZ LYS 56 -5.665 9.248 1.737 414 HZ3 LYS 56 3HZ LYS 56 -6.824 10.232 0.996 415 H GLN 57 H GLN 57 -2.924 15.784 -2.250 416 HA GLN 57 HA GLN 57 -0.397 16.121 -0.775 417 HB2 GLN 57 1HB GLN 57 -0.043 16.812 -3.071 418 HB3 GLN 57 2HB GLN 57 -1.479 17.826 -3.023 419 HG2 GLN 57 1HG GLN 57 -0.461 19.456 -1.788 420 HG3 GLN 57 2HG GLN 57 0.687 18.338 -1.054 421 HE21 GLN 57 1HE2 GLN 57 2.640 19.015 -1.583 422 HE22 GLN 57 2HE2 GLN 57 3.170 19.438 -3.171 423 H ASP 58 H ASP 58 -1.093 16.576 1.232 424 HA ASP 58 HA ASP 58 -3.332 18.410 1.613 425 HB2 ASP 58 1HB ASP 58 -1.906 16.425 3.314 426 HB3 ASP 58 2HB ASP 58 -2.654 17.800 4.122 427 H GLY 59 H GLY 59 -2.360 20.360 0.954 428 HA2 GLY 59 1HA GLY 59 -1.332 22.371 1.376 429 HA3 GLY 59 2HA GLY 59 -1.089 21.814 3.025 430 H THR 60 H THR 60 0.880 21.038 3.645 431 HA THR 60 HA THR 60 3.015 21.215 1.624 432 HB THR 60 HB THR 60 4.541 21.523 3.625 433 HG1 THR 60 1HG THR 60 3.646 21.374 5.527 434 HG21 THR 60 1HG2 THR 60 2.449 23.514 2.818 435 HG22 THR 60 2HG2 THR 60 4.162 23.468 2.401 436 HG23 THR 60 3HG2 THR 60 3.662 23.926 4.029 437 H ARG 61 H ARG 61 1.218 18.909 2.724 438 HA ARG 61 HA ARG 61 3.447 17.030 3.149 439 HB2 ARG 61 1HB ARG 61 0.691 16.986 4.386 440 HB3 ARG 61 2HB ARG 61 1.832 15.651 4.481 441 HG2 ARG 61 1HG ARG 61 2.270 16.665 6.464 442 HG3 ARG 61 2HG ARG 61 3.414 17.534 5.439 443 HD2 ARG 61 1HD ARG 61 1.977 19.411 5.274 444 HD3 ARG 61 2HD ARG 61 0.623 18.522 5.971 445 HE ARG 61 HE ARG 61 2.649 19.917 7.389 446 HH11 ARG 61 2HH1 ARG 61 0.622 17.090 7.523 447 HH12 ARG 61 1HH1 ARG 61 0.629 17.007 9.253 448 HH21 ARG 61 2HH2 ARG 61 2.666 19.818 9.667 449 HH22 ARG 61 1HH2 ARG 61 1.791 18.560 10.472 450 H CYS 62 H CYS 62 2.897 14.763 2.522 451 HA CYS 62 HA CYS 62 0.867 14.557 0.431 452 HB2 CYS 62 1HB CYS 62 3.773 13.840 -0.009 453 HB3 CYS 62 2HB CYS 62 2.463 13.551 -1.146 454 HG CYS 62 HG CYS 62 3.916 16.506 -0.298 455 H GLU 63 H GLU 63 -0.244 12.735 0.654 456 HA GLU 63 HA GLU 63 0.979 10.537 2.184 457 HB2 GLU 63 1HB GLU 63 -1.020 11.601 3.209 458 HB3 GLU 63 2HB GLU 63 -1.958 11.135 1.798 459 HG2 GLU 63 1HG GLU 63 -1.539 8.783 2.286 460 HG3 GLU 63 2HG GLU 63 -0.588 9.244 3.697 461 H LEU 64 H LEU 64 1.581 8.863 0.994 462 HA LEU 64 HA LEU 64 0.240 8.368 -1.566 463 HB2 LEU 64 1HB LEU 64 2.546 8.540 -1.896 464 HB3 LEU 64 2HB LEU 64 2.913 7.609 -0.445 465 HG LEU 64 HG LEU 64 1.862 5.625 -1.704 466 HD11 LEU 64 1HD1 LEU 64 1.995 5.757 -4.131 467 HD12 LEU 64 2HD1 LEU 64 2.445 7.458 -4.026 468 HD13 LEU 64 3HD1 LEU 64 0.845 6.937 -3.499 469 HD21 LEU 64 1HD2 LEU 64 4.204 5.930 -3.225 470 HD22 LEU 64 2HD2 LEU 64 4.010 5.067 -1.699 471 HD23 LEU 64 3HD2 LEU 64 4.491 6.765 -1.698 472 H GLN 65 H GLN 65 -0.777 6.470 -2.030 473 HA GLN 65 HA GLN 65 -0.844 4.421 0.080 474 HB2 GLN 65 1HB GLN 65 -3.121 5.787 -1.298 475 HB3 GLN 65 2HB GLN 65 -3.307 4.117 -0.781 476 HG2 GLN 65 1HG GLN 65 -2.913 4.706 1.499 477 HG3 GLN 65 2HG GLN 65 -2.475 6.353 1.048 478 HE21 GLN 65 1HE2 GLN 65 -4.994 4.216 1.849 479 HE22 GLN 65 2HE2 GLN 65 -6.311 5.317 1.653 480 H ILE 66 H ILE 66 -0.820 2.324 -0.588 481 HA ILE 66 HA ILE 66 -0.765 1.861 -3.499 482 HB ILE 66 HB ILE 66 0.903 0.484 -1.391 483 HG12 ILE 66 1HG1 ILE 66 2.006 1.991 -3.728 484 HG13 ILE 66 2HG1 ILE 66 1.445 2.890 -2.322 485 HG21 ILE 66 1HG2 ILE 66 0.322 -1.133 -3.036 486 HG22 ILE 66 2HG2 ILE 66 0.635 0.001 -4.349 487 HG23 ILE 66 3HG2 ILE 66 1.973 -0.614 -3.379 488 HD11 ILE 66 1HD1 ILE 66 3.589 2.623 -1.693 489 HD12 ILE 66 2HD1 ILE 66 2.981 1.077 -1.099 490 HD13 ILE 66 3HD1 ILE 66 3.807 1.162 -2.655 491 H HIS 67 H HIS 67 -2.761 1.027 -3.834 492 HA HIS 67 HA HIS 67 -3.941 -0.877 -2.023 493 HB2 HIS 67 1HB HIS 67 -4.886 -0.148 -4.798 494 HB3 HIS 67 2HB HIS 67 -5.837 -0.856 -3.496 495 HD1 HIS 67 1HD HIS 67 -6.883 0.725 -1.825 496 HD2 HIS 67 2HD HIS 67 -4.257 2.622 -4.427 497 HE1 HIS 67 1HE HIS 67 -7.206 3.187 -1.429 498 HE2 HIS 67 2HE HIS 67 -5.668 4.316 -3.074 499 H ASP 68 H ASP 68 -4.155 -3.056 -2.281 500 HA ASP 68 HA ASP 68 -3.833 -5.161 -3.105 501 HB2 ASP 68 1HB ASP 68 -4.514 -3.920 -5.317 502 HB3 ASP 68 2HB ASP 68 -2.806 -4.101 -5.711 503 H LEU 69 H LEU 69 -1.912 -4.146 -1.523 504 HA LEU 69 HA LEU 69 0.682 -3.949 -2.450 505 HB2 LEU 69 1HB LEU 69 -0.550 -4.801 0.116 506 HB3 LEU 69 2HB LEU 69 1.170 -5.105 -0.116 507 HG LEU 69 HG LEU 69 -0.102 -2.382 -0.358 508 HD11 LEU 69 1HD1 LEU 69 -0.094 -3.662 1.951 509 HD12 LEU 69 2HD1 LEU 69 0.304 -1.947 1.842 510 HD13 LEU 69 3HD1 LEU 69 1.593 -3.145 1.959 511 HD21 LEU 69 1HD2 LEU 69 1.937 -1.590 -0.847 512 HD22 LEU 69 2HD2 LEU 69 2.301 -3.255 -1.302 513 HD23 LEU 69 3HD2 LEU 69 2.738 -2.663 0.301 514 H SER 70 H SER 70 2.433 -5.444 -2.527 515 HA SER 70 HA SER 70 1.865 -8.280 -2.471 516 HB2 SER 70 1HB SER 70 2.222 -6.761 -5.012 517 HB3 SER 70 2HB SER 70 2.975 -8.351 -4.892 518 HG SER 70 HG SER 70 0.302 -7.657 -5.037 519 H VAL 71 H VAL 71 3.660 -9.493 -2.087 520 HA VAL 71 HA VAL 71 5.856 -8.546 -0.852 521 HB VAL 71 HB VAL 71 7.108 -10.584 -1.766 522 HG11 VAL 71 1HG1 VAL 71 5.642 -10.389 0.339 523 HG12 VAL 71 2HG1 VAL 71 4.446 -11.298 -0.587 524 HG13 VAL 71 3HG1 VAL 71 6.031 -12.001 -0.262 525 HG21 VAL 71 1HG2 VAL 71 6.229 -11.238 -3.750 526 HG22 VAL 71 2HG2 VAL 71 5.198 -12.209 -2.699 527 HG23 VAL 71 3HG2 VAL 71 4.607 -10.678 -3.343 528 H ALA 72 H ALA 72 5.355 -8.661 -4.319 529 HA ALA 72 HA ALA 72 8.019 -8.056 -5.081 530 HB1 ALA 72 1HB ALA 72 5.518 -7.446 -6.644 531 HB2 ALA 72 2HB ALA 72 7.149 -7.681 -7.271 532 HB3 ALA 72 3HB ALA 72 6.270 -9.040 -6.572 533 H ASP 73 H ASP 73 5.152 -6.056 -4.509 534 HA ASP 73 HA ASP 73 6.133 -3.599 -5.345 535 HB2 ASP 73 1HB ASP 73 4.069 -4.469 -3.380 536 HB3 ASP 73 2HB ASP 73 4.580 -2.784 -3.339 537 H ALA 74 H ALA 74 6.526 -5.234 -2.235 538 HA ALA 74 HA ALA 74 7.635 -3.287 -0.678 539 HB1 ALA 74 1HB ALA 74 8.009 -4.980 0.711 540 HB2 ALA 74 2HB ALA 74 7.445 -6.060 -0.564 541 HB3 ALA 74 3HB ALA 74 9.166 -5.717 -0.397 542 H GLY 75 H GLY 75 8.984 -1.786 -1.535 543 HA2 GLY 75 1HA GLY 75 11.671 -2.692 -2.223 544 HA3 GLY 75 2HA GLY 75 10.808 -1.789 -3.459 545 H GLU 76 H GLU 76 11.612 0.198 -3.549 546 HA GLU 76 HA GLU 76 11.848 1.709 -1.042 547 HB2 GLU 76 1HB GLU 76 14.104 1.068 -1.565 548 HB3 GLU 76 2HB GLU 76 13.909 1.555 -3.242 549 HG2 GLU 76 1HG GLU 76 13.452 3.901 -2.253 550 HG3 GLU 76 2HG GLU 76 14.229 3.254 -0.809 551 H TYR 77 H TYR 77 10.378 3.266 -1.205 552 HA TYR 77 HA TYR 77 9.813 4.455 -3.818 553 HB2 TYR 77 1HB TYR 77 8.353 4.562 -1.177 554 HB3 TYR 77 2HB TYR 77 7.884 5.523 -2.575 555 HD1 TYR 77 1HD TYR 77 8.364 2.026 -1.414 556 HD2 TYR 77 2HD TYR 77 6.522 4.606 -4.253 557 HE1 TYR 77 1HE TYR 77 7.028 0.140 -2.253 558 HE2 TYR 77 2HE TYR 77 5.180 2.727 -5.098 559 HH TYR 77 HH TYR 77 4.539 0.603 -4.716 560 H SER 78 H SER 78 10.742 6.300 -4.373 561 HA SER 78 HA SER 78 11.682 8.102 -2.239 562 HB2 SER 78 1HB SER 78 12.762 8.038 -5.056 563 HB3 SER 78 2HB SER 78 13.489 8.771 -3.626 564 HG SER 78 HG SER 78 12.979 6.017 -3.619 565 H CYS 79 H CYS 79 11.202 10.260 -2.340 566 HA CYS 79 HA CYS 79 9.411 11.104 -4.523 567 HB2 CYS 79 1HB CYS 79 8.275 10.747 -2.300 568 HB3 CYS 79 2HB CYS 79 9.257 12.059 -1.661 569 HG CYS 79 HG CYS 79 7.307 12.611 -4.391 570 H MET 80 H MET 80 10.207 12.706 -5.698 571 HA MET 80 HA MET 80 12.391 14.321 -4.616 572 HB2 MET 80 1HB MET 80 11.332 14.107 -7.440 573 HB3 MET 80 2HB MET 80 12.746 15.028 -6.947 574 HG2 MET 80 1HG MET 80 13.787 12.916 -6.174 575 HG3 MET 80 2HG MET 80 12.403 12.043 -6.827 576 HE1 MET 80 1HE MET 80 12.657 10.874 -9.097 577 HE2 MET 80 2HE MET 80 14.252 10.936 -9.846 578 HE3 MET 80 3HE MET 80 14.098 10.560 -8.129 579 H CYS 81 H CYS 81 12.163 16.396 -4.063 580 HA CYS 81 HA CYS 81 9.798 17.860 -5.009 581 HB2 CYS 81 1HB CYS 81 9.243 17.132 -2.776 582 HB3 CYS 81 2HB CYS 81 10.792 17.693 -2.160 583 HG CYS 81 HG CYS 81 9.586 20.335 -3.442 584 H GLY 82 H GLY 82 10.940 19.136 -6.422 585 HA2 GLY 82 1HA GLY 82 12.025 21.109 -6.958 586 HA3 GLY 82 2HA GLY 82 12.395 21.327 -5.254 587 H GLN 83 H GLN 83 14.267 20.346 -4.380 588 HA GLN 83 HA GLN 83 16.201 19.410 -6.394 589 HB2 GLN 83 1HB GLN 83 16.570 21.782 -5.557 590 HB3 GLN 83 2HB GLN 83 16.933 21.074 -3.989 591 HG2 GLN 83 1HG GLN 83 19.032 21.274 -4.848 592 HG3 GLN 83 2HG GLN 83 18.630 19.640 -5.374 593 HE21 GLN 83 1HE2 GLN 83 18.880 19.188 -7.444 594 HE22 GLN 83 2HE2 GLN 83 19.037 20.340 -8.721 595 H GLU 84 H GLU 84 15.204 19.360 -3.007 596 HA GLU 84 HA GLU 84 17.060 17.395 -2.162 597 HB2 GLU 84 1HB GLU 84 14.413 18.300 -1.032 598 HB3 GLU 84 2HB GLU 84 15.428 17.100 -0.244 599 HG2 GLU 84 1HG GLU 84 16.520 19.786 -0.971 600 HG3 GLU 84 2HG GLU 84 15.583 19.555 0.504 601 H ARG 85 H ARG 85 16.240 15.250 -1.215 602 HA ARG 85 HA ARG 85 14.082 13.990 -2.660 603 HB2 ARG 85 1HB ARG 85 15.699 13.698 -4.361 604 HB3 ARG 85 2HB ARG 85 16.964 13.310 -3.203 605 HG2 ARG 85 1HG ARG 85 16.046 11.171 -2.776 606 HG3 ARG 85 2HG ARG 85 14.555 11.567 -3.633 607 HD2 ARG 85 1HD ARG 85 16.012 11.878 -5.696 608 HD3 ARG 85 2HD ARG 85 17.297 11.099 -4.774 609 HE ARG 85 HE ARG 85 14.871 9.579 -4.802 610 HH11 ARG 85 2HH1 ARG 85 17.768 10.323 -6.583 611 HH12 ARG 85 1HH1 ARG 85 17.769 8.829 -7.460 612 HH21 ARG 85 2HH2 ARG 85 14.861 7.609 -5.950 613 HH22 ARG 85 1HH2 ARG 85 16.114 7.286 -7.100 614 H THR 86 H THR 86 13.307 12.192 -1.632 615 HA THR 86 HA THR 86 14.836 11.159 0.655 616 HB THR 86 HB THR 86 13.208 12.761 1.547 617 HG1 THR 86 1HG THR 86 11.901 10.897 2.680 618 HG21 THR 86 1HG2 THR 86 10.987 12.796 1.039 619 HG22 THR 86 2HG2 THR 86 10.907 11.054 0.778 620 HG23 THR 86 3HG2 THR 86 11.582 12.103 -0.468 621 H SER 87 H SER 87 13.962 9.073 1.470 622 HA SER 87 HA SER 87 12.376 7.556 -0.446 623 HB2 SER 87 1HB SER 87 14.043 5.743 -0.577 624 HB3 SER 87 2HB SER 87 14.678 7.251 -1.235 625 HG SER 87 HG SER 87 15.753 7.571 0.763 626 H ALA 88 H ALA 88 11.622 5.517 0.395 627 HA ALA 88 HA ALA 88 12.025 5.017 3.234 628 HB1 ALA 88 1HB ALA 88 9.526 6.101 2.079 629 HB2 ALA 88 2HB ALA 88 9.363 4.816 3.276 630 HB3 ALA 88 3HB ALA 88 10.215 6.303 3.690 631 H THR 89 H THR 89 12.184 2.902 3.574 632 HA THR 89 HA THR 89 11.530 1.055 1.443 633 HB THR 89 HB THR 89 12.737 0.510 4.162 634 HG1 THR 89 1HG THR 89 13.929 1.859 2.538 635 HG21 THR 89 1HG2 THR 89 12.212 -1.203 1.760 636 HG22 THR 89 2HG2 THR 89 11.928 -1.554 3.465 637 HG23 THR 89 3HG2 THR 89 13.571 -1.556 2.825 638 H LEU 90 H LEU 90 9.547 0.258 1.257 639 HA LEU 90 HA LEU 90 7.737 0.190 3.507 640 HB2 LEU 90 1HB LEU 90 6.709 0.824 1.512 641 HB3 LEU 90 2HB LEU 90 7.510 -0.447 0.589 642 HG LEU 90 HG LEU 90 6.042 -2.005 2.146 643 HD11 LEU 90 1HD1 LEU 90 3.782 -0.379 1.953 644 HD12 LEU 90 2HD1 LEU 90 5.028 0.633 2.685 645 HD13 LEU 90 3HD1 LEU 90 4.598 -0.909 3.424 646 HD21 LEU 90 1HD2 LEU 90 4.796 -2.413 0.295 647 HD22 LEU 90 2HD2 LEU 90 6.033 -1.400 -0.451 648 HD23 LEU 90 3HD2 LEU 90 4.475 -0.705 -0.004 649 H THR 91 H THR 91 6.861 -1.623 4.471 650 HA THR 91 HA THR 91 8.385 -4.102 4.061 651 HB THR 91 HB THR 91 6.784 -3.155 6.443 652 HG1 THR 91 1HG THR 91 9.557 -3.499 5.917 653 HG21 THR 91 1HG2 THR 91 8.435 -5.475 6.911 654 HG22 THR 91 2HG2 THR 91 7.243 -5.799 5.652 655 HG23 THR 91 3HG2 THR 91 6.720 -5.238 7.240 656 H VAL 92 H VAL 92 7.427 -5.838 3.225 657 HA VAL 92 HA VAL 92 4.481 -5.944 3.210 658 HB VAL 92 HB VAL 92 6.284 -6.969 1.014 659 HG11 VAL 92 1HG1 VAL 92 4.062 -8.107 1.421 660 HG12 VAL 92 2HG1 VAL 92 3.301 -6.584 0.955 661 HG13 VAL 92 3HG1 VAL 92 4.315 -7.455 -0.197 662 HG21 VAL 92 1HG2 VAL 92 6.163 -4.444 1.293 663 HG22 VAL 92 2HG2 VAL 92 5.717 -5.089 -0.287 664 HG23 VAL 92 3HG2 VAL 92 4.463 -4.583 0.845 665 H ARG 93 H ARG 93 3.617 -7.719 4.067 666 HA ARG 93 HA ARG 93 5.400 -9.976 4.667 667 HB2 ARG 93 1HB ARG 93 3.924 -8.626 6.417 668 HB3 ARG 93 2HB ARG 93 2.685 -9.751 5.875 669 HG2 ARG 93 1HG ARG 93 3.841 -11.605 6.681 670 HG3 ARG 93 2HG ARG 93 5.368 -10.724 6.779 671 HD2 ARG 93 1HD ARG 93 4.781 -10.740 8.988 672 HD3 ARG 93 2HD ARG 93 4.006 -9.241 8.480 673 HE ARG 93 HE ARG 93 2.331 -11.582 8.296 674 HH11 ARG 93 2HH1 ARG 93 3.411 -8.947 10.298 675 HH12 ARG 93 1HH1 ARG 93 2.019 -8.987 11.328 676 HH21 ARG 93 2HH2 ARG 93 0.493 -11.645 9.645 677 HH22 ARG 93 1HH2 ARG 93 0.360 -10.523 10.956 678 H ALA 94 H ALA 94 5.196 -11.779 3.529 679 HA ALA 94 HA ALA 94 3.339 -12.138 1.471 680 HB1 ALA 94 1HB ALA 94 5.078 -13.505 1.062 681 HB2 ALA 94 2HB ALA 94 5.404 -13.777 2.774 682 HB3 ALA 94 3HB ALA 94 4.121 -14.678 1.967 683 H LEU 95 H LEU 95 1.573 -13.574 1.255 684 HA LEU 95 HA LEU 95 -0.305 -13.511 3.302 685 HB2 LEU 95 1HB LEU 95 -0.045 -15.177 0.826 686 HB3 LEU 95 2HB LEU 95 -1.386 -15.420 1.944 687 HG LEU 95 HG LEU 95 -0.797 -13.061 0.189 688 HD11 LEU 95 1HD1 LEU 95 -2.196 -14.577 -0.889 689 HD12 LEU 95 2HD1 LEU 95 -3.314 -13.408 -0.187 690 HD13 LEU 95 3HD1 LEU 95 -3.070 -14.972 0.591 691 HD21 LEU 95 1HD2 LEU 95 -2.283 -13.120 2.777 692 HD22 LEU 95 2HD2 LEU 95 -2.863 -12.094 1.464 693 HD23 LEU 95 3HD2 LEU 95 -1.236 -11.868 2.108 694 HA PRO 96 HA PRO 96 0.611 -16.834 6.018 695 HB2 PRO 96 1HB PRO 96 -1.871 -17.726 6.658 696 HB3 PRO 96 2HB PRO 96 -1.221 -16.192 7.247 697 HG2 PRO 96 1HG PRO 96 -3.093 -16.705 4.969 698 HG3 PRO 96 2HG PRO 96 -3.159 -15.438 6.207 699 HD2 PRO 96 1HD PRO 96 -2.223 -14.985 3.706 700 HD3 PRO 96 2HD PRO 96 -1.596 -14.130 5.130 701 H ALA 97 H ALA 97 1.345 -18.824 5.646 702 HA ALA 97 HA ALA 97 -0.013 -20.468 3.616 703 HB1 ALA 97 1HB ALA 97 2.659 -19.726 3.831 704 HB2 ALA 97 2HB ALA 97 2.616 -21.413 4.345 705 HB3 ALA 97 3HB ALA 97 1.981 -20.956 2.764 706 H ARG 98 H ARG 98 -1.324 -21.915 4.523 707 HA ARG 98 HA ARG 98 -1.116 -22.829 7.184 708 HB2 ARG 98 1HB ARG 98 -2.676 -23.804 4.798 709 HB3 ARG 98 2HB ARG 98 -2.770 -24.603 6.361 710 HG2 ARG 98 1HG ARG 98 -3.252 -21.666 6.185 711 HG3 ARG 98 2HG ARG 98 -4.519 -22.795 5.699 712 HD2 ARG 98 1HD ARG 98 -3.123 -23.119 8.326 713 HD3 ARG 98 2HD ARG 98 -4.430 -21.949 8.151 714 HE ARG 98 HE ARG 98 -5.417 -24.299 7.133 715 HH11 ARG 98 2HH1 ARG 98 -4.101 -23.242 10.178 716 HH12 ARG 98 1HH1 ARG 98 -5.038 -24.356 11.118 717 HH21 ARG 98 2HH2 ARG 98 -6.655 -25.770 8.359 718 HH22 ARG 98 1HH2 ARG 98 -6.490 -25.794 10.082 719 H PHE 99 H PHE 99 -0.102 -24.215 4.098 720 HA PHE 99 HA PHE 99 0.580 -26.770 4.875 721 HB2 PHE 99 1HB PHE 99 0.736 -26.302 2.576 722 HB3 PHE 99 2HB PHE 99 1.775 -24.906 2.839 723 HD1 PHE 99 1HD PHE 99 1.779 -28.585 3.469 724 HD2 PHE 99 2HD PHE 99 3.998 -25.134 2.334 725 HE1 PHE 99 1HE PHE 99 3.759 -29.991 3.074 726 HE2 PHE 99 2HE PHE 99 5.981 -26.535 1.937 727 HZ PHE 99 HZ PHE 99 5.863 -28.967 2.306 728 H THR 100 H THR 100 1.482 -26.961 6.888 729 HA THR 100 HA THR 100 3.612 -25.397 7.871 730 HB THR 100 HB THR 100 2.239 -26.600 9.433 731 HG1 THR 100 1HG THR 100 4.897 -27.624 9.317 732 HG21 THR 100 1HG2 THR 100 2.122 -28.599 7.631 733 HG22 THR 100 2HG2 THR 100 1.711 -28.803 9.334 734 HG23 THR 100 3HG2 THR 100 3.308 -29.269 8.750 735 H GLU 101 H GLU 101 4.951 -25.477 5.875 736 HA GLU 101 HA GLU 101 6.191 -27.568 4.710 737 HB2 GLU 101 1HB GLU 101 6.571 -24.981 4.479 738 HB3 GLU 101 2HB GLU 101 7.918 -25.279 5.570 739 HG2 GLU 101 1HG GLU 101 7.602 -26.926 3.102 740 HG3 GLU 101 2HG GLU 101 8.299 -25.310 3.010 741 H GLY 102 H GLY 102 7.068 -29.341 5.543 742 HA2 GLY 102 1HA GLY 102 9.358 -29.721 6.811 743 HA3 GLY 102 2HA GLY 102 8.350 -29.233 8.165 744 H SER 103 H SER 103 7.080 -30.712 9.134 745 HA SER 103 HA SER 103 6.956 -33.381 7.889 746 HB2 SER 103 1HB SER 103 7.277 -32.555 10.768 747 HB3 SER 103 2HB SER 103 6.691 -34.160 10.333 748 HG SER 103 HG SER 103 9.185 -32.982 9.686 749 H GLY 104 H GLY 104 5.001 -34.154 7.435 750 HA2 GLY 104 1HA GLY 104 2.657 -32.617 8.032 751 HA3 GLY 104 2HA GLY 104 2.707 -34.154 7.180 752 HA PRO 105 HA PRO 105 0.843 -36.023 10.690 753 HB2 PRO 105 1HB PRO 105 1.607 -38.596 10.288 754 HB3 PRO 105 2HB PRO 105 0.368 -37.799 9.311 755 HG2 PRO 105 1HG PRO 105 3.261 -38.260 8.693 756 HG3 PRO 105 2HG PRO 105 1.847 -38.447 7.638 757 HD2 PRO 105 1HD PRO 105 3.458 -36.273 7.544 758 HD3 PRO 105 2HD PRO 105 1.718 -36.188 7.200 759 H SER 106 H SER 106 1.363 -36.394 12.774 760 HA SER 106 HA SER 106 4.097 -36.177 13.586 761 HB2 SER 106 1HB SER 106 2.323 -35.160 14.923 762 HB3 SER 106 2HB SER 106 1.600 -36.744 15.203 763 HG SER 106 HG SER 106 3.494 -37.332 16.326 764 H SER 107 H SER 107 5.507 -37.780 13.707 765 HA SER 107 HA SER 107 6.286 -39.948 13.490 766 HB2 SER 107 1HB SER 107 4.785 -39.804 16.097 767 HB3 SER 107 2HB SER 107 5.692 -41.245 15.639 768 HG SER 107 HG SER 107 7.454 -40.243 16.161 769 H GLY 108 H GLY 108 4.215 -39.799 11.767 770 HA2 GLY 108 1HA GLY 108 3.081 -42.486 11.983 771 HA3 GLY 108 2HA GLY 108 1.953 -41.150 11.810 Start of MODEL 5 1 H1 GLY 1 H GLY 1 21.509 28.320 12.306 2 HA2 GLY 1 1HA GLY 1 23.180 30.075 10.643 3 HA3 GLY 1 2HA GLY 1 22.097 28.826 10.047 4 H SER 2 H SER 2 20.722 29.900 8.761 5 HA SER 2 HA SER 2 19.280 32.186 9.938 6 HB2 SER 2 1HB SER 2 19.015 33.057 7.623 7 HB3 SER 2 2HB SER 2 20.703 32.973 8.128 8 HG SER 2 HG SER 2 21.045 31.688 6.515 9 H SER 3 H SER 3 17.066 32.434 9.311 10 HA SER 3 HA SER 3 15.824 29.976 8.270 11 HB2 SER 3 1HB SER 3 14.836 31.658 10.586 12 HB3 SER 3 2HB SER 3 13.980 30.283 9.887 13 HG SER 3 HG SER 3 15.792 30.236 11.787 14 H GLY 4 H GLY 4 13.642 30.298 7.391 15 HA2 GLY 4 1HA GLY 4 12.133 32.405 6.916 16 HA3 GLY 4 2HA GLY 4 13.528 32.833 5.935 17 H SER 5 H SER 5 11.628 32.793 4.344 18 HA SER 5 HA SER 5 11.405 30.079 3.214 19 HB2 SER 5 1HB SER 5 9.399 32.328 2.925 20 HB3 SER 5 2HB SER 5 9.224 30.678 2.328 21 HG SER 5 HG SER 5 8.886 31.687 4.873 22 H SER 6 H SER 6 12.278 29.799 1.275 23 HA SER 6 HA SER 6 12.155 31.676 -0.831 24 HB2 SER 6 1HB SER 6 14.476 32.355 -0.996 25 HB3 SER 6 2HB SER 6 13.861 32.815 0.592 26 HG SER 6 HG SER 6 15.452 30.544 -0.019 27 H GLY 7 H GLY 7 13.113 30.891 -2.788 28 HA2 GLY 7 1HA GLY 7 13.752 29.256 -4.269 29 HA3 GLY 7 2HA GLY 7 14.620 28.505 -2.938 30 HA PRO 8 HA PRO 8 11.158 25.691 -4.225 31 HB2 PRO 8 1HB PRO 8 12.693 23.454 -4.329 32 HB3 PRO 8 2HB PRO 8 12.510 24.558 -5.698 33 HG2 PRO 8 1HG PRO 8 14.737 24.363 -3.707 34 HG3 PRO 8 2HG PRO 8 14.823 24.583 -5.465 35 HD2 PRO 8 1HD PRO 8 15.114 26.637 -3.724 36 HD3 PRO 8 2HD PRO 8 14.386 26.842 -5.331 37 H ALA 9 H ALA 9 10.285 23.860 -3.048 38 HA ALA 9 HA ALA 9 10.673 24.127 -0.214 39 HB1 ALA 9 1HB ALA 9 9.032 21.897 -0.744 40 HB2 ALA 9 2HB ALA 9 8.542 23.514 -0.234 41 HB3 ALA 9 3HB ALA 9 8.640 23.122 -1.951 42 H ARG 10 H ARG 10 11.799 22.849 1.128 43 HA ARG 10 HA ARG 10 13.060 20.445 -0.019 44 HB2 ARG 10 1HB ARG 10 14.938 20.811 1.469 45 HB3 ARG 10 2HB ARG 10 14.649 22.261 0.516 46 HG2 ARG 10 1HG ARG 10 13.636 23.366 2.373 47 HG3 ARG 10 2HG ARG 10 13.653 21.883 3.329 48 HD2 ARG 10 1HD ARG 10 16.090 21.895 3.324 49 HD3 ARG 10 2HD ARG 10 16.091 23.351 2.329 50 HE ARG 10 HE ARG 10 14.652 24.085 4.498 51 HH11 ARG 10 2HH1 ARG 10 17.780 22.614 4.088 52 HH12 ARG 10 1HH1 ARG 10 18.443 23.314 5.527 53 HH21 ARG 10 2HH2 ARG 10 15.513 25.013 6.396 54 HH22 ARG 10 1HH2 ARG 10 17.152 24.677 6.840 55 H PHE 11 H PHE 11 12.909 18.543 1.057 56 HA PHE 11 HA PHE 11 10.828 18.062 2.816 57 HB2 PHE 11 1HB PHE 11 13.347 16.514 2.236 58 HB3 PHE 11 2HB PHE 11 12.124 15.913 3.351 59 HD1 PHE 11 1HD PHE 11 9.858 15.378 2.525 60 HD2 PHE 11 2HD PHE 11 13.030 16.430 -0.110 61 HE1 PHE 11 1HE PHE 11 8.595 14.437 0.635 62 HE2 PHE 11 2HE PHE 11 11.772 15.492 -2.005 63 HZ PHE 11 HZ PHE 11 9.551 14.494 -1.634 64 H THR 12 H THR 12 10.593 17.977 4.999 65 HA THR 12 HA THR 12 12.868 18.949 6.601 66 HB THR 12 HB THR 12 11.203 19.830 8.200 67 HG1 THR 12 1HG THR 12 9.114 19.477 7.922 68 HG21 THR 12 1HG2 THR 12 12.112 21.259 6.392 69 HG22 THR 12 2HG2 THR 12 10.481 21.727 6.876 70 HG23 THR 12 3HG2 THR 12 10.733 20.819 5.385 71 H GLN 13 H GLN 13 10.429 16.506 6.256 72 HA GLN 13 HA GLN 13 11.549 15.116 8.596 73 HB2 GLN 13 1HB GLN 13 8.711 15.654 7.894 74 HB3 GLN 13 2HB GLN 13 9.086 14.078 8.578 75 HG2 GLN 13 1HG GLN 13 9.694 16.746 9.833 76 HG3 GLN 13 2HG GLN 13 8.400 15.643 10.299 77 HE21 GLN 13 1HE2 GLN 13 8.920 13.713 11.354 78 HE22 GLN 13 2HE2 GLN 13 10.445 13.485 12.132 79 H ASP 14 H ASP 14 12.631 13.408 7.889 80 HA ASP 14 HA ASP 14 12.756 12.282 5.450 81 HB2 ASP 14 1HB ASP 14 12.774 10.685 8.020 82 HB3 ASP 14 2HB ASP 14 13.503 10.205 6.490 83 H LEU 15 H LEU 15 11.758 10.619 4.298 84 HA LEU 15 HA LEU 15 8.930 10.457 4.613 85 HB2 LEU 15 1HB LEU 15 10.491 10.271 2.490 86 HB3 LEU 15 2HB LEU 15 10.411 8.552 2.871 87 HG LEU 15 HG LEU 15 8.027 10.320 2.324 88 HD11 LEU 15 1HD1 LEU 15 8.092 9.739 0.150 89 HD12 LEU 15 2HD1 LEU 15 8.749 8.137 0.484 90 HD13 LEU 15 3HD1 LEU 15 9.816 9.541 0.467 91 HD21 LEU 15 1HD2 LEU 15 8.309 7.702 3.482 92 HD22 LEU 15 2HD2 LEU 15 7.415 7.615 1.963 93 HD23 LEU 15 3HD2 LEU 15 6.858 8.678 3.257 94 H LYS 16 H LYS 16 7.698 8.930 5.539 95 HA LYS 16 HA LYS 16 9.059 6.548 6.618 96 HB2 LYS 16 1HB LYS 16 7.637 6.616 8.536 97 HB3 LYS 16 2HB LYS 16 8.309 8.228 8.329 98 HG2 LYS 16 1HG LYS 16 6.149 8.789 8.714 99 HG3 LYS 16 2HG LYS 16 6.065 8.581 6.963 100 HD2 LYS 16 1HD LYS 16 5.290 6.266 7.301 101 HD3 LYS 16 2HD LYS 16 5.323 6.526 9.047 102 HE2 LYS 16 1HE LYS 16 3.735 8.310 7.232 103 HE3 LYS 16 2HE LYS 16 3.080 6.778 7.808 104 HZ1 LYS 16 1HZ LYS 16 2.585 7.717 9.735 105 HZ2 LYS 16 2HZ LYS 16 3.100 9.212 9.134 106 HZ3 LYS 16 3HZ LYS 16 4.184 8.218 9.968 107 H THR 17 H THR 17 7.426 4.755 7.133 108 HA THR 17 HA THR 17 5.118 4.654 5.388 109 HB THR 17 HB THR 17 6.908 3.991 3.850 110 HG1 THR 17 1HG THR 17 5.905 2.100 3.178 111 HG21 THR 17 1HG2 THR 17 8.435 2.304 4.246 112 HG22 THR 17 2HG2 THR 17 7.417 1.523 5.457 113 HG23 THR 17 3HG2 THR 17 8.280 3.008 5.854 114 H LYS 18 H LYS 18 4.301 2.190 5.460 115 HA LYS 18 HA LYS 18 4.529 1.278 8.251 116 HB2 LYS 18 1HB LYS 18 2.151 0.768 8.269 117 HB3 LYS 18 2HB LYS 18 2.401 2.470 7.905 118 HG2 LYS 18 1HG LYS 18 0.837 1.987 6.337 119 HG3 LYS 18 2HG LYS 18 2.287 1.579 5.417 120 HD2 LYS 18 1HD LYS 18 1.063 -0.314 5.051 121 HD3 LYS 18 2HD LYS 18 1.889 -0.787 6.538 122 HE2 LYS 18 1HE LYS 18 -0.386 -1.355 6.837 123 HE3 LYS 18 2HE LYS 18 -0.114 0.104 7.788 124 HZ1 LYS 18 1HZ LYS 18 -1.121 1.415 6.062 125 HZ2 LYS 18 2HZ LYS 18 -2.186 0.178 6.503 126 HZ3 LYS 18 3HZ LYS 18 -1.300 0.059 5.066 127 H GLU 19 H GLU 19 3.551 -1.007 8.469 128 HA GLU 19 HA GLU 19 4.549 -2.621 6.217 129 HB2 GLU 19 1HB GLU 19 5.157 -4.322 7.764 130 HB3 GLU 19 2HB GLU 19 5.748 -2.805 8.427 131 HG2 GLU 19 1HG GLU 19 3.543 -2.777 9.754 132 HG3 GLU 19 2HG GLU 19 3.450 -4.487 9.336 133 H ALA 20 H ALA 20 3.000 -3.511 5.039 134 HA ALA 20 HA ALA 20 0.566 -4.464 6.401 135 HB1 ALA 20 1HB ALA 20 0.142 -3.819 3.609 136 HB2 ALA 20 2HB ALA 20 -0.760 -3.308 5.037 137 HB3 ALA 20 3HB ALA 20 0.678 -2.419 4.538 138 H SER 21 H SER 21 -0.616 -6.141 5.087 139 HA SER 21 HA SER 21 1.326 -8.110 4.166 140 HB2 SER 21 1HB SER 21 -0.220 -8.961 5.777 141 HB3 SER 21 2HB SER 21 -1.599 -8.297 4.901 142 HG SER 21 HG SER 21 -1.435 -9.863 3.415 143 H GLU 22 H GLU 22 0.827 -9.434 2.254 144 HA GLU 22 HA GLU 22 0.640 -7.983 -0.067 145 HB2 GLU 22 1HB GLU 22 0.271 -10.856 0.607 146 HB3 GLU 22 2HB GLU 22 -0.257 -10.327 -0.984 147 HG2 GLU 22 1HG GLU 22 2.033 -9.342 -1.299 148 HG3 GLU 22 2HG GLU 22 2.506 -10.170 0.184 149 H GLY 23 H GLY 23 -0.944 -7.125 -1.276 150 HA2 GLY 23 1HA GLY 23 -3.110 -6.962 -2.186 151 HA3 GLY 23 2HA GLY 23 -3.698 -8.028 -0.918 152 H ALA 24 H ALA 24 -2.286 -6.401 1.148 153 HA ALA 24 HA ALA 24 -4.439 -4.697 1.818 154 HB1 ALA 24 1HB ALA 24 -3.015 -5.728 3.508 155 HB2 ALA 24 2HB ALA 24 -1.644 -4.766 2.952 156 HB3 ALA 24 3HB ALA 24 -3.038 -3.973 3.685 157 H THR 25 H THR 25 -3.595 -2.341 2.672 158 HA THR 25 HA THR 25 -2.421 -1.019 0.313 159 HB THR 25 HB THR 25 -4.637 0.068 2.060 160 HG1 THR 25 1HG THR 25 -5.786 -1.137 0.739 161 HG21 THR 25 1HG2 THR 25 -3.085 1.779 1.148 162 HG22 THR 25 2HG2 THR 25 -4.723 1.917 0.507 163 HG23 THR 25 3HG2 THR 25 -3.449 1.195 -0.476 164 H ALA 26 H ALA 26 -0.645 0.111 0.728 165 HA ALA 26 HA ALA 26 0.170 0.567 3.471 166 HB1 ALA 26 1HB ALA 26 2.168 0.205 2.578 167 HB2 ALA 26 2HB ALA 26 1.488 0.247 0.951 168 HB3 ALA 26 3HB ALA 26 2.030 1.739 1.719 169 H THR 27 H THR 27 1.332 2.758 3.860 170 HA THR 27 HA THR 27 0.052 5.027 2.588 171 HB THR 27 HB THR 27 -0.253 4.723 5.573 172 HG1 THR 27 1HG THR 27 -2.590 4.470 4.769 173 HG21 THR 27 1HG2 THR 27 -0.347 6.965 4.082 174 HG22 THR 27 2HG2 THR 27 -1.310 6.728 5.540 175 HG23 THR 27 3HG2 THR 27 -2.027 6.444 3.955 176 H LEU 28 H LEU 28 1.776 6.236 2.142 177 HA LEU 28 HA LEU 28 3.872 6.512 4.191 178 HB2 LEU 28 1HB LEU 28 4.072 7.058 1.234 179 HB3 LEU 28 2HB LEU 28 5.389 7.104 2.404 180 HG LEU 28 HG LEU 28 4.645 4.566 2.738 181 HD11 LEU 28 1HD1 LEU 28 4.391 4.077 0.026 182 HD12 LEU 28 2HD1 LEU 28 3.288 5.420 0.327 183 HD13 LEU 28 3HD1 LEU 28 3.126 3.924 1.246 184 HD21 LEU 28 1HD2 LEU 28 6.357 5.485 0.433 185 HD22 LEU 28 2HD2 LEU 28 6.459 3.944 1.284 186 HD23 LEU 28 3HD2 LEU 28 6.879 5.441 2.117 187 H GLN 29 H GLN 29 3.892 8.368 5.255 188 HA GLN 29 HA GLN 29 2.849 10.773 3.909 189 HB2 GLN 29 1HB GLN 29 2.728 9.988 6.822 190 HB3 GLN 29 2HB GLN 29 2.331 11.597 6.232 191 HG2 GLN 29 1HG GLN 29 0.496 10.743 4.954 192 HG3 GLN 29 2HG GLN 29 0.952 9.082 5.328 193 HE21 GLN 29 1HE2 GLN 29 0.812 8.406 7.562 194 HE22 GLN 29 2HE2 GLN 29 -0.379 9.117 8.592 195 H CYS 30 H CYS 30 4.052 12.612 3.947 196 HA CYS 30 HA CYS 30 6.499 12.658 5.555 197 HB2 CYS 30 1HB CYS 30 7.855 13.350 3.657 198 HB3 CYS 30 2HB CYS 30 7.113 11.790 3.323 199 HG CYS 30 HG CYS 30 5.196 12.764 1.589 200 H GLU 31 H GLU 31 7.624 14.935 5.018 201 HA GLU 31 HA GLU 31 5.512 16.985 5.035 202 HB2 GLU 31 1HB GLU 31 6.675 16.288 7.311 203 HB3 GLU 31 2HB GLU 31 7.941 17.359 6.727 204 HG2 GLU 31 1HG GLU 31 6.319 19.177 6.543 205 HG3 GLU 31 2HG GLU 31 5.053 18.103 7.136 206 H LEU 32 H LEU 32 6.391 19.205 4.643 207 HA LEU 32 HA LEU 32 8.877 19.268 3.116 208 HB2 LEU 32 1HB LEU 32 6.212 20.140 2.012 209 HB3 LEU 32 2HB LEU 32 7.771 20.468 1.258 210 HG LEU 32 HG LEU 32 6.829 17.663 1.773 211 HD11 LEU 32 1HD1 LEU 32 5.675 19.557 -0.037 212 HD12 LEU 32 2HD1 LEU 32 5.243 17.870 0.241 213 HD13 LEU 32 3HD1 LEU 32 6.484 18.279 -0.944 214 HD21 LEU 32 1HD2 LEU 32 9.043 18.985 0.332 215 HD22 LEU 32 2HD2 LEU 32 8.311 17.589 -0.459 216 HD23 LEU 32 3HD2 LEU 32 8.994 17.429 1.160 217 H SER 33 H SER 33 9.700 21.406 2.767 218 HA SER 33 HA SER 33 9.395 23.112 4.976 219 HB2 SER 33 1HB SER 33 11.356 22.884 3.267 220 HB3 SER 33 2HB SER 33 10.468 24.101 2.350 221 HG SER 33 HG SER 33 10.460 25.212 4.555 222 H LYS 34 H LYS 34 7.812 23.010 1.874 223 HA LYS 34 HA LYS 34 5.781 24.822 2.763 224 HB2 LYS 34 1HB LYS 34 6.101 26.600 1.225 225 HB3 LYS 34 2HB LYS 34 7.657 26.342 2.002 226 HG2 LYS 34 1HG LYS 34 8.624 25.501 0.102 227 HG3 LYS 34 2HG LYS 34 7.085 24.961 -0.573 228 HD2 LYS 34 1HD LYS 34 7.454 26.780 -1.901 229 HD3 LYS 34 2HD LYS 34 6.595 27.565 -0.574 230 HE2 LYS 34 1HE LYS 34 9.560 27.317 -0.424 231 HE3 LYS 34 2HE LYS 34 8.863 28.533 -1.494 232 HZ1 LYS 34 1HZ LYS 34 9.210 28.662 1.279 233 HZ2 LYS 34 2HZ LYS 34 7.547 28.673 0.971 234 HZ3 LYS 34 3HZ LYS 34 8.548 29.832 0.252 235 H VAL 35 H VAL 35 3.968 24.899 1.339 236 HA VAL 35 HA VAL 35 3.330 22.511 0.088 237 HB VAL 35 HB VAL 35 2.149 25.227 -0.514 238 HG11 VAL 35 1HG1 VAL 35 0.162 23.333 -0.738 239 HG12 VAL 35 2HG1 VAL 35 1.013 24.106 -2.077 240 HG13 VAL 35 3HG1 VAL 35 1.559 22.542 -1.468 241 HG21 VAL 35 1HG2 VAL 35 0.651 23.449 1.236 242 HG22 VAL 35 2HG2 VAL 35 2.211 23.921 1.911 243 HG23 VAL 35 3HG2 VAL 35 1.048 25.156 1.429 244 H ALA 36 H ALA 36 4.204 21.618 -1.653 245 HA ALA 36 HA ALA 36 4.462 23.149 -4.098 246 HB1 ALA 36 1HB ALA 36 6.843 22.334 -4.414 247 HB2 ALA 36 2HB ALA 36 6.606 23.643 -3.256 248 HB3 ALA 36 3HB ALA 36 6.848 21.993 -2.683 249 HA PRO 37 HA PRO 37 3.346 19.313 -5.922 250 HB2 PRO 37 1HB PRO 37 4.457 19.575 -8.385 251 HB3 PRO 37 2HB PRO 37 3.026 20.479 -7.876 252 HG2 PRO 37 1HG PRO 37 5.886 21.358 -7.974 253 HG3 PRO 37 2HG PRO 37 4.428 22.238 -8.467 254 HD2 PRO 37 1HD PRO 37 5.669 22.685 -6.102 255 HD3 PRO 37 2HD PRO 37 3.913 22.849 -6.305 256 H VAL 38 H VAL 38 4.135 17.322 -5.684 257 HA VAL 38 HA VAL 38 7.004 16.866 -6.170 258 HB VAL 38 HB VAL 38 7.218 15.472 -4.273 259 HG11 VAL 38 1HG1 VAL 38 7.040 18.027 -3.949 260 HG12 VAL 38 2HG1 VAL 38 5.504 17.662 -3.160 261 HG13 VAL 38 3HG1 VAL 38 7.005 16.988 -2.525 262 HG21 VAL 38 1HG2 VAL 38 4.243 15.744 -3.849 263 HG22 VAL 38 2HG2 VAL 38 5.067 14.315 -4.474 264 HG23 VAL 38 3HG2 VAL 38 5.362 14.850 -2.819 265 H GLU 39 H GLU 39 7.470 14.444 -6.346 266 HA GLU 39 HA GLU 39 5.250 12.949 -7.521 267 HB2 GLU 39 1HB GLU 39 6.435 14.180 -9.352 268 HB3 GLU 39 2HB GLU 39 7.894 13.291 -8.941 269 HG2 GLU 39 1HG GLU 39 7.105 12.022 -10.660 270 HG3 GLU 39 2HG GLU 39 6.354 11.204 -9.291 271 H TRP 40 H TRP 40 5.293 10.838 -7.026 272 HA TRP 40 HA TRP 40 7.487 9.876 -5.380 273 HB2 TRP 40 1HB TRP 40 4.897 8.494 -6.110 274 HB3 TRP 40 2HB TRP 40 6.030 8.003 -4.853 275 HD1 TRP 40 HD TRP 40 3.738 11.031 -5.659 276 HE1 TRP 40 1HE TRP 40 2.895 11.998 -3.428 277 HE3 TRP 40 3HE TRP 40 6.315 8.009 -2.439 278 HZ2 TRP 40 2HZ TRP 40 3.273 11.541 -0.668 279 HZ3 TRP 40 3HZ TRP 40 6.018 8.340 -0.019 280 HH2 TRP 40 HH TRP 40 4.529 10.071 0.846 281 H LYS 41 H LYS 41 8.750 8.084 -5.831 282 HA LYS 41 HA LYS 41 8.475 6.866 -8.485 283 HB2 LYS 41 1HB LYS 41 10.781 8.432 -7.447 284 HB3 LYS 41 2HB LYS 41 11.144 6.986 -8.380 285 HG2 LYS 41 1HG LYS 41 9.378 8.070 -10.035 286 HG3 LYS 41 2HG LYS 41 9.926 9.546 -9.236 287 HD2 LYS 41 1HD LYS 41 12.221 9.056 -9.828 288 HD3 LYS 41 2HD LYS 41 11.739 7.509 -10.529 289 HE2 LYS 41 1HE LYS 41 10.785 8.490 -12.375 290 HE3 LYS 41 2HE LYS 41 10.465 10.007 -11.536 291 HZ1 LYS 41 1HZ LYS 41 12.870 10.444 -11.567 292 HZ2 LYS 41 2HZ LYS 41 12.219 10.318 -13.123 293 HZ3 LYS 41 3HZ LYS 41 13.109 9.035 -12.474 294 H LYS 42 H LYS 42 9.269 4.764 -8.662 295 HA LYS 42 HA LYS 42 9.932 3.484 -6.092 296 HB2 LYS 42 1HB LYS 42 7.751 2.823 -7.117 297 HB3 LYS 42 2HB LYS 42 8.637 2.206 -8.506 298 HG2 LYS 42 1HG LYS 42 9.608 0.475 -7.257 299 HG3 LYS 42 2HG LYS 42 9.172 1.227 -5.721 300 HD2 LYS 42 1HD LYS 42 6.925 0.638 -5.934 301 HD3 LYS 42 2HD LYS 42 7.061 0.379 -7.675 302 HE2 LYS 42 1HE LYS 42 8.488 -1.325 -5.646 303 HE3 LYS 42 2HE LYS 42 6.872 -1.699 -6.244 304 HZ1 LYS 42 1HZ LYS 42 9.131 -1.272 -8.098 305 HZ2 LYS 42 2HZ LYS 42 7.670 -2.074 -8.382 306 HZ3 LYS 42 3HZ LYS 42 8.847 -2.786 -7.398 307 H GLY 43 H GLY 43 11.624 4.686 -8.365 308 HA2 GLY 43 1HA GLY 43 13.955 3.476 -8.182 309 HA3 GLY 43 2HA GLY 43 13.120 2.315 -9.203 310 HA PRO 44 HA PRO 44 15.151 5.062 -12.194 311 HB2 PRO 44 1HB PRO 44 15.244 3.192 -14.160 312 HB3 PRO 44 2HB PRO 44 16.438 3.279 -12.859 313 HG2 PRO 44 1HG PRO 44 14.055 1.488 -13.125 314 HG3 PRO 44 2HG PRO 44 15.696 1.093 -12.581 315 HD2 PRO 44 1HD PRO 44 13.647 1.492 -10.857 316 HD3 PRO 44 2HD PRO 44 15.325 1.912 -10.458 317 H GLU 45 H GLU 45 12.086 3.936 -11.839 318 HA GLU 45 HA GLU 45 11.211 5.063 -14.418 319 HB2 GLU 45 1HB GLU 45 10.258 2.726 -12.846 320 HB3 GLU 45 2HB GLU 45 9.043 3.681 -13.683 321 HG2 GLU 45 1HG GLU 45 9.634 1.934 -15.142 322 HG3 GLU 45 2HG GLU 45 10.409 3.386 -15.773 323 H THR 46 H THR 46 8.842 5.861 -14.241 324 HA THR 46 HA THR 46 8.619 7.481 -11.788 325 HB THR 46 HB THR 46 7.344 8.299 -14.377 326 HG1 THR 46 1HG THR 46 9.516 8.034 -14.919 327 HG21 THR 46 1HG2 THR 46 6.684 9.959 -13.035 328 HG22 THR 46 2HG2 THR 46 8.365 10.493 -13.003 329 HG23 THR 46 3HG2 THR 46 7.754 9.424 -11.740 330 H LEU 47 H LEU 47 6.698 7.557 -10.722 331 HA LEU 47 HA LEU 47 4.642 5.674 -11.621 332 HB2 LEU 47 1HB LEU 47 5.228 6.930 -8.952 333 HB3 LEU 47 2HB LEU 47 3.771 5.991 -9.270 334 HG LEU 47 HG LEU 47 6.608 4.969 -9.388 335 HD11 LEU 47 1HD1 LEU 47 5.252 3.504 -7.526 336 HD12 LEU 47 2HD1 LEU 47 4.595 5.121 -7.276 337 HD13 LEU 47 3HD1 LEU 47 6.335 4.850 -7.173 338 HD21 LEU 47 1HD2 LEU 47 5.702 3.492 -10.817 339 HD22 LEU 47 2HD2 LEU 47 4.050 3.895 -10.351 340 HD23 LEU 47 3HD2 LEU 47 5.000 2.786 -9.361 341 H ARG 48 H ARG 48 2.352 6.393 -10.743 342 HA ARG 48 HA ARG 48 1.860 9.233 -11.088 343 HB2 ARG 48 1HB ARG 48 1.069 7.153 -13.084 344 HB3 ARG 48 2HB ARG 48 -0.013 8.509 -12.795 345 HG2 ARG 48 1HG ARG 48 1.590 10.075 -13.527 346 HG3 ARG 48 2HG ARG 48 2.886 8.877 -13.484 347 HD2 ARG 48 1HD ARG 48 2.403 9.002 -15.743 348 HD3 ARG 48 2HD ARG 48 1.440 7.618 -15.227 349 HE ARG 48 HE ARG 48 -0.428 8.779 -15.818 350 HH11 ARG 48 2HH1 ARG 48 2.165 11.045 -15.303 351 HH12 ARG 48 1HH1 ARG 48 1.242 12.418 -15.818 352 HH21 ARG 48 2HH2 ARG 48 -1.653 10.579 -16.498 353 HH22 ARG 48 1HH2 ARG 48 -0.930 12.152 -16.496 354 H ASP 49 H ASP 49 -0.545 9.698 -10.857 355 HA ASP 49 HA ASP 49 -1.599 7.971 -8.730 356 HB2 ASP 49 1HB ASP 49 -2.816 9.868 -7.927 357 HB3 ASP 49 2HB ASP 49 -1.174 10.412 -8.261 358 H GLY 50 H GLY 50 -3.080 6.553 -9.367 359 HA2 GLY 50 1HA GLY 50 -5.562 7.075 -10.334 360 HA3 GLY 50 2HA GLY 50 -4.592 6.939 -11.793 361 H GLY 51 H GLY 51 -3.143 4.908 -11.810 362 HA2 GLY 51 1HA GLY 51 -4.827 2.651 -11.770 363 HA3 GLY 51 2HA GLY 51 -3.081 2.619 -11.971 364 H ARG 52 H ARG 52 -2.205 1.257 -10.571 365 HA ARG 52 HA ARG 52 -3.482 0.660 -8.056 366 HB2 ARG 52 1HB ARG 52 -1.171 -0.407 -9.597 367 HB3 ARG 52 2HB ARG 52 -1.176 -0.672 -7.859 368 HG2 ARG 52 1HG ARG 52 -3.284 -1.822 -7.988 369 HG3 ARG 52 2HG ARG 52 -3.420 -1.448 -9.708 370 HD2 ARG 52 1HD ARG 52 -2.670 -3.746 -9.352 371 HD3 ARG 52 2HD ARG 52 -1.435 -2.785 -10.166 372 HE ARG 52 HE ARG 52 -1.106 -2.851 -7.321 373 HH11 ARG 52 2HH1 ARG 52 -0.482 -4.559 -10.290 374 HH12 ARG 52 1HH1 ARG 52 0.890 -5.411 -9.664 375 HH21 ARG 52 2HH2 ARG 52 0.699 -3.968 -6.485 376 HH22 ARG 52 1HH2 ARG 52 1.560 -5.075 -7.500 377 H TYR 53 H TYR 53 -2.789 3.342 -8.158 378 HA TYR 53 HA TYR 53 -1.162 3.556 -5.802 379 HB2 TYR 53 1HB TYR 53 -0.162 4.678 -8.423 380 HB3 TYR 53 2HB TYR 53 0.441 5.194 -6.852 381 HD1 TYR 53 1HD TYR 53 1.756 3.653 -5.459 382 HD2 TYR 53 2HD TYR 53 0.465 2.555 -9.361 383 HE1 TYR 53 1HE TYR 53 3.375 1.801 -5.467 384 HE2 TYR 53 2HE TYR 53 2.079 0.699 -9.380 385 HH TYR 53 HH TYR 53 4.507 0.352 -6.927 386 H SER 54 H SER 54 -2.294 4.917 -4.603 387 HA SER 54 HA SER 54 -3.562 7.233 -5.914 388 HB2 SER 54 1HB SER 54 -4.571 5.331 -3.863 389 HB3 SER 54 2HB SER 54 -5.032 7.024 -3.681 390 HG SER 54 HG SER 54 -5.346 5.567 -6.093 391 H LEU 55 H LEU 55 -2.641 9.091 -5.391 392 HA LEU 55 HA LEU 55 -1.589 9.431 -2.663 393 HB2 LEU 55 1HB LEU 55 0.050 11.057 -3.970 394 HB3 LEU 55 2HB LEU 55 0.420 9.356 -3.699 395 HG LEU 55 HG LEU 55 -0.966 10.138 -6.221 396 HD11 LEU 55 1HD1 LEU 55 1.752 10.951 -5.426 397 HD12 LEU 55 2HD1 LEU 55 0.663 11.639 -6.630 398 HD13 LEU 55 3HD1 LEU 55 1.603 10.198 -7.015 399 HD21 LEU 55 1HD2 LEU 55 -0.082 8.174 -7.047 400 HD22 LEU 55 2HD2 LEU 55 -0.357 7.758 -5.355 401 HD23 LEU 55 3HD2 LEU 55 1.265 8.175 -5.908 402 H LYS 56 H LYS 56 -1.851 11.447 -1.736 403 HA LYS 56 HA LYS 56 -3.336 13.446 -3.299 404 HB2 LYS 56 1HB LYS 56 -4.727 11.975 -1.659 405 HB3 LYS 56 2HB LYS 56 -3.981 12.961 -0.409 406 HG2 LYS 56 1HG LYS 56 -4.888 14.976 -1.471 407 HG3 LYS 56 2HG LYS 56 -5.661 13.969 -2.697 408 HD2 LYS 56 1HD LYS 56 -7.001 12.878 -0.989 409 HD3 LYS 56 2HD LYS 56 -6.186 13.807 0.271 410 HE2 LYS 56 1HE LYS 56 -7.646 15.154 -1.978 411 HE3 LYS 56 2HE LYS 56 -8.492 14.607 -0.531 412 HZ1 LYS 56 1HZ LYS 56 -7.643 16.998 -0.594 413 HZ2 LYS 56 2HZ LYS 56 -6.107 16.338 -0.341 414 HZ3 LYS 56 3HZ LYS 56 -7.331 16.094 0.801 415 H GLN 57 H GLN 57 -2.915 15.584 -2.811 416 HA GLN 57 HA GLN 57 -0.484 16.033 -1.261 417 HB2 GLN 57 1HB GLN 57 -0.663 16.931 -3.568 418 HB3 GLN 57 2HB GLN 57 -2.003 17.942 -3.045 419 HG2 GLN 57 1HG GLN 57 -0.185 19.375 -3.004 420 HG3 GLN 57 2HG GLN 57 -0.364 18.886 -1.320 421 HE21 GLN 57 1HE2 GLN 57 1.971 19.895 -1.863 422 HE22 GLN 57 2HE2 GLN 57 3.197 18.688 -2.022 423 H ASP 58 H ASP 58 -0.327 17.762 0.271 424 HA ASP 58 HA ASP 58 -2.748 18.993 1.254 425 HB2 ASP 58 1HB ASP 58 -1.376 16.771 2.721 426 HB3 ASP 58 2HB ASP 58 -2.123 18.077 3.636 427 H GLY 59 H GLY 59 -2.281 20.452 3.131 428 HA2 GLY 59 1HA GLY 59 -0.327 22.283 2.590 429 HA3 GLY 59 2HA GLY 59 -1.001 22.046 4.196 430 H THR 60 H THR 60 1.765 21.821 2.265 431 HA THR 60 HA THR 60 3.873 20.994 2.586 432 HB THR 60 HB THR 60 4.797 21.340 4.857 433 HG1 THR 60 1HG THR 60 2.165 22.160 5.573 434 HG21 THR 60 1HG2 THR 60 4.802 23.631 4.704 435 HG22 THR 60 2HG2 THR 60 3.072 23.721 4.368 436 HG23 THR 60 3HG2 THR 60 4.192 23.217 3.102 437 H ARG 61 H ARG 61 1.702 19.026 2.665 438 HA ARG 61 HA ARG 61 3.203 16.875 3.938 439 HB2 ARG 61 1HB ARG 61 0.454 17.740 4.709 440 HB3 ARG 61 2HB ARG 61 0.805 16.016 4.684 441 HG2 ARG 61 1HG ARG 61 2.364 16.176 6.391 442 HG3 ARG 61 2HG ARG 61 2.600 17.908 6.145 443 HD2 ARG 61 1HD ARG 61 1.301 17.968 8.019 444 HD3 ARG 61 2HD ARG 61 0.038 17.984 6.788 445 HE ARG 61 HE ARG 61 -0.658 15.959 7.566 446 HH11 ARG 61 2HH1 ARG 61 2.645 16.447 8.551 447 HH12 ARG 61 1HH1 ARG 61 2.711 15.001 9.504 448 HH21 ARG 61 2HH2 ARG 61 -0.583 14.053 8.817 449 HH22 ARG 61 1HH2 ARG 61 0.875 13.640 9.653 450 H CYS 62 H CYS 62 2.999 14.912 2.921 451 HA CYS 62 HA CYS 62 1.102 14.728 0.688 452 HB2 CYS 62 1HB CYS 62 4.036 14.004 0.530 453 HB3 CYS 62 2HB CYS 62 2.848 13.765 -0.746 454 HG CYS 62 HG CYS 62 3.417 16.896 0.457 455 H GLU 63 H GLU 63 0.064 12.835 0.573 456 HA GLU 63 HA GLU 63 1.113 10.595 2.176 457 HB2 GLU 63 1HB GLU 63 -0.897 11.555 3.188 458 HB3 GLU 63 2HB GLU 63 -1.771 11.352 1.677 459 HG2 GLU 63 1HG GLU 63 -1.735 8.995 1.865 460 HG3 GLU 63 2HG GLU 63 -0.572 9.051 3.189 461 H LEU 64 H LEU 64 1.499 8.762 1.120 462 HA LEU 64 HA LEU 64 0.316 8.425 -1.558 463 HB2 LEU 64 1HB LEU 64 2.582 8.698 -1.959 464 HB3 LEU 64 2HB LEU 64 3.046 7.831 -0.496 465 HG LEU 64 HG LEU 64 2.115 5.748 -1.692 466 HD11 LEU 64 1HD1 LEU 64 1.471 7.659 -3.617 467 HD12 LEU 64 2HD1 LEU 64 1.396 5.905 -3.785 468 HD13 LEU 64 3HD1 LEU 64 2.847 6.777 -4.280 469 HD21 LEU 64 1HD2 LEU 64 4.247 5.204 -2.168 470 HD22 LEU 64 2HD2 LEU 64 4.604 6.750 -1.397 471 HD23 LEU 64 3HD2 LEU 64 4.507 6.641 -3.156 472 H GLN 65 H GLN 65 -1.002 6.749 -1.786 473 HA GLN 65 HA GLN 65 -0.803 4.539 0.151 474 HB2 GLN 65 1HB GLN 65 -3.153 5.861 -1.153 475 HB3 GLN 65 2HB GLN 65 -3.274 4.183 -0.641 476 HG2 GLN 65 1HG GLN 65 -3.106 4.709 1.593 477 HG3 GLN 65 2HG GLN 65 -2.293 6.241 1.279 478 HE21 GLN 65 1HE2 GLN 65 -5.270 4.660 1.771 479 HE22 GLN 65 2HE2 GLN 65 -6.297 6.039 1.599 480 H ILE 66 H ILE 66 -0.608 2.493 -0.576 481 HA ILE 66 HA ILE 66 -0.597 2.108 -3.498 482 HB ILE 66 HB ILE 66 0.981 0.535 -1.460 483 HG12 ILE 66 1HG1 ILE 66 2.251 2.368 -3.446 484 HG13 ILE 66 2HG1 ILE 66 1.544 3.069 -1.995 485 HG21 ILE 66 1HG2 ILE 66 0.321 0.065 -4.196 486 HG22 ILE 66 2HG2 ILE 66 2.056 0.344 -4.060 487 HG23 ILE 66 3HG2 ILE 66 1.289 -0.923 -3.103 488 HD11 ILE 66 1HD1 ILE 66 2.970 1.196 -0.817 489 HD12 ILE 66 2HD1 ILE 66 3.918 1.322 -2.299 490 HD13 ILE 66 3HD1 ILE 66 3.676 2.743 -1.284 491 H HIS 67 H HIS 67 -2.632 1.338 -3.844 492 HA HIS 67 HA HIS 67 -3.881 -0.588 -2.142 493 HB2 HIS 67 1HB HIS 67 -4.592 0.304 -4.944 494 HB3 HIS 67 2HB HIS 67 -5.618 -0.677 -3.901 495 HD1 HIS 67 1HD HIS 67 -6.829 0.517 -1.968 496 HD2 HIS 67 2HD HIS 67 -4.472 3.030 -4.289 497 HE1 HIS 67 1HE HIS 67 -7.486 2.854 -1.308 498 HE2 HIS 67 2HE HIS 67 -6.108 4.356 -2.787 499 H ASP 68 H ASP 68 -4.485 -2.750 -2.740 500 HA ASP 68 HA ASP 68 -3.923 -4.877 -3.335 501 HB2 ASP 68 1HB ASP 68 -3.738 -3.289 -5.848 502 HB3 ASP 68 2HB ASP 68 -3.114 -4.936 -5.877 503 H LEU 69 H LEU 69 -1.953 -3.760 -1.859 504 HA LEU 69 HA LEU 69 0.594 -3.519 -2.826 505 HB2 LEU 69 1HB LEU 69 -0.553 -4.487 -0.267 506 HB3 LEU 69 2HB LEU 69 1.161 -4.780 -0.552 507 HG LEU 69 HG LEU 69 -0.119 -2.052 -0.656 508 HD11 LEU 69 1HD1 LEU 69 1.664 -2.732 1.576 509 HD12 LEU 69 2HD1 LEU 69 0.090 -3.525 1.604 510 HD13 LEU 69 3HD1 LEU 69 0.190 -1.765 1.549 511 HD21 LEU 69 1HD2 LEU 69 2.122 -1.220 -0.630 512 HD22 LEU 69 2HD2 LEU 69 1.999 -2.409 -1.928 513 HD23 LEU 69 3HD2 LEU 69 2.778 -2.842 -0.405 514 H SER 70 H SER 70 2.425 -5.156 -2.415 515 HA SER 70 HA SER 70 1.868 -7.929 -2.708 516 HB2 SER 70 1HB SER 70 2.396 -6.302 -5.162 517 HB3 SER 70 2HB SER 70 3.067 -7.930 -5.063 518 HG SER 70 HG SER 70 1.101 -8.767 -5.136 519 H VAL 71 H VAL 71 3.688 -9.184 -2.431 520 HA VAL 71 HA VAL 71 5.837 -8.182 -1.042 521 HB VAL 71 HB VAL 71 7.060 -10.286 -1.752 522 HG11 VAL 71 1HG1 VAL 71 4.324 -11.013 -0.815 523 HG12 VAL 71 2HG1 VAL 71 5.898 -11.558 -0.230 524 HG13 VAL 71 3HG1 VAL 71 5.317 -9.941 0.171 525 HG21 VAL 71 1HG2 VAL 71 4.712 -10.393 -3.544 526 HG22 VAL 71 2HG2 VAL 71 6.346 -11.013 -3.777 527 HG23 VAL 71 3HG2 VAL 71 5.196 -11.910 -2.785 528 H ALA 72 H ALA 72 5.433 -8.476 -4.514 529 HA ALA 72 HA ALA 72 8.138 -7.939 -5.206 530 HB1 ALA 72 1HB ALA 72 7.457 -8.319 -7.299 531 HB2 ALA 72 2HB ALA 72 5.914 -8.771 -6.575 532 HB3 ALA 72 3HB ALA 72 6.154 -7.135 -7.187 533 H ASP 73 H ASP 73 5.395 -5.949 -4.418 534 HA ASP 73 HA ASP 73 6.408 -3.524 -5.527 535 HB2 ASP 73 1HB ASP 73 4.155 -4.291 -3.742 536 HB3 ASP 73 2HB ASP 73 4.689 -2.613 -3.693 537 H ALA 74 H ALA 74 6.759 -5.177 -2.471 538 HA ALA 74 HA ALA 74 7.667 -3.110 -0.850 539 HB1 ALA 74 1HB ALA 74 7.884 -4.753 0.628 540 HB2 ALA 74 2HB ALA 74 7.442 -5.885 -0.651 541 HB3 ALA 74 3HB ALA 74 9.141 -5.530 -0.336 542 H GLY 75 H GLY 75 9.175 -1.680 -1.459 543 HA2 GLY 75 1HA GLY 75 11.862 -2.648 -1.977 544 HA3 GLY 75 2HA GLY 75 11.120 -1.767 -3.303 545 H GLU 76 H GLU 76 11.779 0.265 -3.390 546 HA GLU 76 HA GLU 76 11.985 1.786 -0.888 547 HB2 GLU 76 1HB GLU 76 14.256 1.136 -1.460 548 HB3 GLU 76 2HB GLU 76 14.047 1.741 -3.097 549 HG2 GLU 76 1HG GLU 76 14.153 3.947 -2.442 550 HG3 GLU 76 2HG GLU 76 13.689 3.585 -0.781 551 H TYR 77 H TYR 77 10.470 3.298 -1.067 552 HA TYR 77 HA TYR 77 9.906 4.479 -3.685 553 HB2 TYR 77 1HB TYR 77 8.410 4.637 -1.062 554 HB3 TYR 77 2HB TYR 77 7.910 5.446 -2.543 555 HD1 TYR 77 1HD TYR 77 8.376 2.158 -0.934 556 HD2 TYR 77 2HD TYR 77 6.812 4.251 -4.293 557 HE1 TYR 77 1HE TYR 77 7.157 0.135 -1.620 558 HE2 TYR 77 2HE TYR 77 5.588 2.234 -4.987 559 HH TYR 77 HH TYR 77 6.136 -0.845 -3.516 560 H SER 78 H SER 78 10.832 6.330 -4.221 561 HA SER 78 HA SER 78 11.723 8.139 -2.076 562 HB2 SER 78 1HB SER 78 12.740 8.102 -4.921 563 HB3 SER 78 2HB SER 78 13.454 8.918 -3.531 564 HG SER 78 HG SER 78 14.074 6.564 -4.389 565 H CYS 79 H CYS 79 11.399 10.380 -2.304 566 HA CYS 79 HA CYS 79 9.375 11.140 -4.305 567 HB2 CYS 79 1HB CYS 79 8.511 10.911 -1.931 568 HB3 CYS 79 2HB CYS 79 9.539 12.275 -1.513 569 HG CYS 79 HG CYS 79 7.103 12.455 -3.905 570 H MET 80 H MET 80 10.033 12.691 -5.628 571 HA MET 80 HA MET 80 12.348 14.313 -4.872 572 HB2 MET 80 1HB MET 80 11.001 13.887 -7.544 573 HB3 MET 80 2HB MET 80 12.397 14.925 -7.287 574 HG2 MET 80 1HG MET 80 13.638 12.932 -6.460 575 HG3 MET 80 2HG MET 80 12.258 11.943 -6.933 576 HE1 MET 80 1HE MET 80 15.001 10.942 -8.701 577 HE2 MET 80 2HE MET 80 13.391 10.465 -8.162 578 HE3 MET 80 3HE MET 80 13.729 10.636 -9.885 579 H CYS 81 H CYS 81 12.085 16.324 -4.180 580 HA CYS 81 HA CYS 81 9.764 17.860 -5.122 581 HB2 CYS 81 1HB CYS 81 9.308 16.997 -2.844 582 HB3 CYS 81 2HB CYS 81 10.761 17.802 -2.266 583 HG CYS 81 HG CYS 81 8.975 20.057 -3.784 584 H GLY 82 H GLY 82 10.664 19.401 -6.341 585 HA2 GLY 82 1HA GLY 82 11.847 21.312 -6.841 586 HA3 GLY 82 2HA GLY 82 12.309 21.398 -5.148 587 H GLN 83 H GLN 83 14.238 20.457 -4.463 588 HA GLN 83 HA GLN 83 16.000 19.474 -6.607 589 HB2 GLN 83 1HB GLN 83 16.557 21.808 -6.024 590 HB3 GLN 83 2HB GLN 83 16.790 21.325 -4.349 591 HG2 GLN 83 1HG GLN 83 18.945 21.311 -5.070 592 HG3 GLN 83 2HG GLN 83 18.499 19.640 -5.414 593 HE21 GLN 83 1HE2 GLN 83 20.456 20.045 -6.835 594 HE22 GLN 83 2HE2 GLN 83 20.135 20.579 -8.446 595 H GLU 84 H GLU 84 15.015 19.342 -3.266 596 HA GLU 84 HA GLU 84 17.018 17.502 -2.409 597 HB2 GLU 84 1HB GLU 84 14.488 18.592 -1.278 598 HB3 GLU 84 2HB GLU 84 15.119 17.105 -0.585 599 HG2 GLU 84 1HG GLU 84 16.794 19.575 -0.891 600 HG3 GLU 84 2HG GLU 84 15.799 19.270 0.531 601 H ARG 85 H ARG 85 16.107 15.370 -1.313 602 HA ARG 85 HA ARG 85 14.033 14.001 -2.706 603 HB2 ARG 85 1HB ARG 85 15.778 13.983 -4.456 604 HB3 ARG 85 2HB ARG 85 16.874 13.182 -3.338 605 HG2 ARG 85 1HG ARG 85 15.395 11.252 -3.247 606 HG3 ARG 85 2HG ARG 85 14.266 12.058 -4.338 607 HD2 ARG 85 1HD ARG 85 16.312 12.235 -5.919 608 HD3 ARG 85 2HD ARG 85 16.995 10.965 -4.904 609 HE ARG 85 HE ARG 85 14.841 10.707 -6.804 610 HH11 ARG 85 2HH1 ARG 85 16.404 9.347 -4.006 611 HH12 ARG 85 1HH1 ARG 85 15.803 7.747 -4.286 612 HH21 ARG 85 2HH2 ARG 85 14.043 8.605 -7.183 613 HH22 ARG 85 1HH2 ARG 85 14.460 7.325 -6.094 614 H THR 86 H THR 86 13.371 12.235 -1.587 615 HA THR 86 HA THR 86 15.129 11.208 0.535 616 HB THR 86 HB THR 86 13.369 12.830 1.406 617 HG1 THR 86 1HG THR 86 12.921 10.302 2.544 618 HG21 THR 86 1HG2 THR 86 11.103 11.993 1.648 619 HG22 THR 86 2HG2 THR 86 11.532 10.512 0.793 620 HG23 THR 86 3HG2 THR 86 11.536 12.056 -0.059 621 H SER 87 H SER 87 14.406 9.087 1.388 622 HA SER 87 HA SER 87 12.752 7.536 -0.458 623 HB2 SER 87 1HB SER 87 14.451 5.751 -0.601 624 HB3 SER 87 2HB SER 87 15.039 7.262 -1.293 625 HG SER 87 HG SER 87 15.586 6.377 1.348 626 H ALA 88 H ALA 88 11.796 5.715 0.448 627 HA ALA 88 HA ALA 88 12.358 5.136 3.262 628 HB1 ALA 88 1HB ALA 88 10.598 6.631 3.576 629 HB2 ALA 88 2HB ALA 88 9.725 6.048 2.158 630 HB3 ALA 88 3HB ALA 88 9.815 5.050 3.609 631 H THR 89 H THR 89 12.488 3.019 3.598 632 HA THR 89 HA THR 89 11.760 1.179 1.494 633 HB THR 89 HB THR 89 12.888 0.533 4.223 634 HG1 THR 89 1HG THR 89 14.151 2.002 2.769 635 HG21 THR 89 1HG2 THR 89 12.122 -1.052 1.909 636 HG22 THR 89 2HG2 THR 89 12.533 -1.569 3.544 637 HG23 THR 89 3HG2 THR 89 13.809 -1.296 2.358 638 H LEU 90 H LEU 90 9.761 0.424 1.310 639 HA LEU 90 HA LEU 90 7.947 0.419 3.560 640 HB2 LEU 90 1HB LEU 90 6.938 1.080 1.562 641 HB3 LEU 90 2HB LEU 90 7.700 -0.217 0.643 642 HG LEU 90 HG LEU 90 6.200 -1.756 2.139 643 HD11 LEU 90 1HD1 LEU 90 5.402 0.043 3.594 644 HD12 LEU 90 2HD1 LEU 90 4.075 -0.733 2.729 645 HD13 LEU 90 3HD1 LEU 90 4.670 0.842 2.202 646 HD21 LEU 90 1HD2 LEU 90 4.263 -1.095 0.427 647 HD22 LEU 90 2HD2 LEU 90 5.711 -1.975 -0.064 648 HD23 LEU 90 3HD2 LEU 90 5.604 -0.234 -0.329 649 H THR 91 H THR 91 6.844 -1.423 4.352 650 HA THR 91 HA THR 91 8.336 -3.937 3.977 651 HB THR 91 HB THR 91 6.755 -3.071 6.406 652 HG1 THR 91 1HG THR 91 9.110 -3.235 7.212 653 HG21 THR 91 1HG2 THR 91 7.534 -5.634 5.548 654 HG22 THR 91 2HG2 THR 91 6.905 -5.173 7.131 655 HG23 THR 91 3HG2 THR 91 8.645 -5.189 6.843 656 H VAL 92 H VAL 92 7.279 -5.610 3.137 657 HA VAL 92 HA VAL 92 4.335 -5.627 3.264 658 HB VAL 92 HB VAL 92 6.031 -6.433 0.896 659 HG11 VAL 92 1HG1 VAL 92 4.220 -7.367 -0.089 660 HG12 VAL 92 2HG1 VAL 92 3.731 -7.629 1.587 661 HG13 VAL 92 3HG1 VAL 92 3.090 -6.255 0.684 662 HG21 VAL 92 1HG2 VAL 92 5.945 -4.124 0.786 663 HG22 VAL 92 2HG2 VAL 92 4.534 -4.591 -0.162 664 HG23 VAL 92 3HG2 VAL 92 4.336 -4.045 1.503 665 H ARG 93 H ARG 93 3.690 -7.306 4.428 666 HA ARG 93 HA ARG 93 5.392 -9.645 4.710 667 HB2 ARG 93 1HB ARG 93 3.020 -8.546 6.134 668 HB3 ARG 93 2HB ARG 93 3.272 -10.285 6.200 669 HG2 ARG 93 1HG ARG 93 4.278 -9.267 8.122 670 HG3 ARG 93 2HG ARG 93 5.551 -9.884 7.067 671 HD2 ARG 93 1HD ARG 93 4.644 -7.043 6.836 672 HD3 ARG 93 2HD ARG 93 5.775 -7.512 8.105 673 HE ARG 93 HE ARG 93 6.378 -7.132 5.369 674 HH11 ARG 93 2HH1 ARG 93 7.131 -9.187 8.076 675 HH12 ARG 93 1HH1 ARG 93 8.714 -9.589 7.499 676 HH21 ARG 93 2HH2 ARG 93 8.461 -7.653 4.598 677 HH22 ARG 93 1HH2 ARG 93 9.470 -8.715 5.520 678 H ALA 94 H ALA 94 5.122 -11.495 3.644 679 HA ALA 94 HA ALA 94 3.277 -11.761 1.539 680 HB1 ALA 94 1HB ALA 94 4.846 -13.247 1.016 681 HB2 ALA 94 2HB ALA 94 5.430 -13.315 2.679 682 HB3 ALA 94 3HB ALA 94 4.089 -14.342 2.174 683 H LEU 95 H LEU 95 1.492 -13.166 1.293 684 HA LEU 95 HA LEU 95 -0.321 -13.179 3.439 685 HB2 LEU 95 1HB LEU 95 -0.284 -14.632 0.808 686 HB3 LEU 95 2HB LEU 95 -1.618 -14.780 1.950 687 HG LEU 95 HG LEU 95 -0.847 -12.495 0.206 688 HD11 LEU 95 1HD1 LEU 95 -2.652 -13.680 -0.632 689 HD12 LEU 95 2HD1 LEU 95 -3.428 -12.363 0.248 690 HD13 LEU 95 3HD1 LEU 95 -3.336 -13.971 0.968 691 HD21 LEU 95 1HD2 LEU 95 -0.719 -11.366 2.268 692 HD22 LEU 95 2HD2 LEU 95 -2.092 -12.252 2.932 693 HD23 LEU 95 3HD2 LEU 95 -2.346 -11.053 1.663 694 HA PRO 96 HA PRO 96 0.638 -16.818 5.701 695 HB2 PRO 96 1HB PRO 96 -1.833 -17.551 6.554 696 HB3 PRO 96 2HB PRO 96 -0.967 -16.154 7.205 697 HG2 PRO 96 1HG PRO 96 -3.129 -16.247 5.137 698 HG3 PRO 96 2HG PRO 96 -2.924 -15.121 6.492 699 HD2 PRO 96 1HD PRO 96 -2.239 -14.483 3.951 700 HD3 PRO 96 2HD PRO 96 -1.370 -13.848 5.362 701 H ALA 97 H ALA 97 1.332 -18.520 4.533 702 HA ALA 97 HA ALA 97 -0.503 -19.907 2.737 703 HB1 ALA 97 1HB ALA 97 1.724 -19.378 1.901 704 HB2 ALA 97 2HB ALA 97 2.448 -20.318 3.206 705 HB3 ALA 97 3HB ALA 97 1.477 -21.123 1.974 706 H ARG 98 H ARG 98 -0.527 -22.303 2.764 707 HA ARG 98 HA ARG 98 -0.897 -23.235 5.494 708 HB2 ARG 98 1HB ARG 98 -2.145 -25.030 4.574 709 HB3 ARG 98 2HB ARG 98 -2.595 -23.600 3.654 710 HG2 ARG 98 1HG ARG 98 -0.395 -25.310 2.620 711 HG3 ARG 98 2HG ARG 98 -2.057 -25.884 2.471 712 HD2 ARG 98 1HD ARG 98 -2.511 -23.507 1.522 713 HD3 ARG 98 2HD ARG 98 -0.768 -23.471 1.263 714 HE ARG 98 HE ARG 98 -1.089 -24.822 -0.538 715 HH11 ARG 98 2HH1 ARG 98 -3.774 -25.242 1.638 716 HH12 ARG 98 1HH1 ARG 98 -4.626 -26.323 0.586 717 HH21 ARG 98 2HH2 ARG 98 -2.201 -26.244 -1.932 718 HH22 ARG 98 1HH2 ARG 98 -3.730 -26.893 -1.444 719 H PHE 99 H PHE 99 -0.215 -25.516 5.998 720 HA PHE 99 HA PHE 99 2.092 -26.536 4.608 721 HB2 PHE 99 1HB PHE 99 2.897 -24.646 6.166 722 HB3 PHE 99 2HB PHE 99 2.524 -25.754 7.482 723 HD1 PHE 99 1HD PHE 99 4.733 -25.076 4.653 724 HD2 PHE 99 2HD PHE 99 3.847 -27.740 7.852 725 HE1 PHE 99 1HE PHE 99 6.934 -26.140 4.373 726 HE2 PHE 99 2HE PHE 99 6.046 -28.807 7.578 727 HZ PHE 99 HZ PHE 99 7.594 -28.007 5.837 728 H THR 100 H THR 100 1.999 -28.676 4.701 729 HA THR 100 HA THR 100 0.076 -30.050 6.235 730 HB THR 100 HB THR 100 2.518 -31.214 4.884 731 HG1 THR 100 1HG THR 100 1.013 -29.939 3.541 732 HG21 THR 100 1HG2 THR 100 1.775 -33.220 5.511 733 HG22 THR 100 2HG2 THR 100 0.169 -32.870 4.871 734 HG23 THR 100 3HG2 THR 100 0.578 -32.415 6.525 735 H GLU 101 H GLU 101 0.310 -29.699 8.421 736 HA GLU 101 HA GLU 101 2.694 -29.782 9.872 737 HB2 GLU 101 1HB GLU 101 -0.137 -30.393 10.731 738 HB3 GLU 101 2HB GLU 101 1.212 -30.242 11.848 739 HG2 GLU 101 1HG GLU 101 1.532 -27.942 11.235 740 HG3 GLU 101 2HG GLU 101 0.306 -28.069 9.975 741 H GLY 102 H GLY 102 3.214 -31.443 11.583 742 HA2 GLY 102 1HA GLY 102 2.446 -34.172 10.993 743 HA3 GLY 102 2HA GLY 102 4.111 -33.781 10.589 744 H SER 103 H SER 103 5.622 -33.715 12.172 745 HA SER 103 HA SER 103 4.669 -34.126 14.931 746 HB2 SER 103 1HB SER 103 6.387 -35.695 15.332 747 HB3 SER 103 2HB SER 103 5.766 -36.124 13.738 748 HG SER 103 HG SER 103 8.230 -35.121 14.469 749 H GLY 104 H GLY 104 6.277 -33.498 16.609 750 HA2 GLY 104 1HA GLY 104 8.043 -31.314 15.722 751 HA3 GLY 104 2HA GLY 104 6.867 -31.024 16.996 752 HA PRO 105 HA PRO 105 10.986 -32.618 18.693 753 HB2 PRO 105 1HB PRO 105 11.735 -30.341 19.967 754 HB3 PRO 105 2HB PRO 105 12.182 -30.697 18.295 755 HG2 PRO 105 1HG PRO 105 9.982 -28.956 19.339 756 HG3 PRO 105 2HG PRO 105 11.108 -28.655 18.002 757 HD2 PRO 105 1HD PRO 105 8.565 -29.496 17.604 758 HD3 PRO 105 2HD PRO 105 9.901 -29.953 16.528 759 H SER 106 H SER 106 11.318 -33.212 20.842 760 HA SER 106 HA SER 106 9.709 -32.137 22.966 761 HB2 SER 106 1HB SER 106 9.032 -34.765 21.699 762 HB3 SER 106 2HB SER 106 8.819 -34.571 23.439 763 HG SER 106 HG SER 106 7.079 -33.487 23.033 764 H SER 107 H SER 107 10.007 -33.615 24.998 765 HA SER 107 HA SER 107 12.836 -33.869 25.381 766 HB2 SER 107 1HB SER 107 10.410 -34.068 27.098 767 HB3 SER 107 2HB SER 107 11.875 -34.868 27.668 768 HG SER 107 HG SER 107 12.315 -32.928 28.374 769 H GLY 108 H GLY 108 13.865 -35.805 26.285 770 HA2 GLY 108 1HA GLY 108 12.771 -38.362 26.273 771 HA3 GLY 108 2HA GLY 108 13.394 -38.075 24.655 Start of MODEL 6 1 H1 GLY 1 H GLY 1 27.083 32.561 4.268 2 HA2 GLY 1 1HA GLY 1 25.392 32.728 2.726 3 HA3 GLY 1 2HA GLY 1 25.390 30.971 2.705 4 H SER 2 H SER 2 23.031 32.087 2.292 5 HA SER 2 HA SER 2 21.617 32.360 4.825 6 HB2 SER 2 1HB SER 2 19.783 33.181 3.574 7 HB3 SER 2 2HB SER 2 21.208 33.845 2.775 8 HG SER 2 HG SER 2 20.870 32.588 1.082 9 H SER 3 H SER 3 19.461 31.213 4.992 10 HA SER 3 HA SER 3 19.697 28.455 3.982 11 HB2 SER 3 1HB SER 3 20.154 28.918 6.513 12 HB3 SER 3 2HB SER 3 18.400 29.066 6.620 13 HG SER 3 HG SER 3 19.205 26.917 7.005 14 H GLY 4 H GLY 4 18.292 30.274 2.525 15 HA2 GLY 4 1HA GLY 4 15.551 29.288 2.879 16 HA3 GLY 4 2HA GLY 4 15.803 31.023 2.761 17 H SER 5 H SER 5 14.292 29.239 1.002 18 HA SER 5 HA SER 5 15.827 29.603 -1.488 19 HB2 SER 5 1HB SER 5 14.413 27.812 -2.450 20 HB3 SER 5 2HB SER 5 15.335 27.249 -1.056 21 HG SER 5 HG SER 5 12.615 27.512 -1.388 22 H SER 6 H SER 6 14.540 30.125 -3.412 23 HA SER 6 HA SER 6 12.088 31.626 -2.780 24 HB2 SER 6 1HB SER 6 14.414 32.540 -4.484 25 HB3 SER 6 2HB SER 6 12.839 33.334 -4.475 26 HG SER 6 HG SER 6 14.488 34.212 -3.012 27 H GLY 7 H GLY 7 11.985 29.058 -3.712 28 HA2 GLY 7 1HA GLY 7 10.444 29.355 -6.077 29 HA3 GLY 7 2HA GLY 7 12.007 28.646 -6.458 30 HA PRO 8 HA PRO 8 10.231 24.718 -5.589 31 HB2 PRO 8 1HB PRO 8 12.517 23.298 -5.232 32 HB3 PRO 8 2HB PRO 8 11.958 23.835 -6.821 33 HG2 PRO 8 1HG PRO 8 14.029 25.049 -5.032 34 HG3 PRO 8 2HG PRO 8 14.072 24.803 -6.787 35 HD2 PRO 8 1HD PRO 8 13.493 27.198 -5.666 36 HD3 PRO 8 2HD PRO 8 12.788 26.670 -7.208 37 H ALA 9 H ALA 9 10.307 22.971 -3.929 38 HA ALA 9 HA ALA 9 10.877 24.116 -1.276 39 HB1 ALA 9 1HB ALA 9 9.025 23.047 -0.410 40 HB2 ALA 9 2HB ALA 9 8.473 23.469 -2.031 41 HB3 ALA 9 3HB ALA 9 9.004 21.824 -1.681 42 H ARG 10 H ARG 10 10.966 22.119 0.388 43 HA ARG 10 HA ARG 10 12.651 19.987 -0.677 44 HB2 ARG 10 1HB ARG 10 14.348 20.355 1.095 45 HB3 ARG 10 2HB ARG 10 14.267 21.675 -0.066 46 HG2 ARG 10 1HG ARG 10 12.687 21.860 2.452 47 HG3 ARG 10 2HG ARG 10 14.427 22.155 2.495 48 HD2 ARG 10 1HD ARG 10 12.661 23.522 0.493 49 HD3 ARG 10 2HD ARG 10 12.848 24.155 2.128 50 HE ARG 10 HE ARG 10 14.719 24.363 0.000 51 HH11 ARG 10 2HH1 ARG 10 14.475 23.996 3.453 52 HH12 ARG 10 1HH1 ARG 10 16.009 24.735 3.771 53 HH21 ARG 10 2HH2 ARG 10 16.741 25.338 0.405 54 HH22 ARG 10 1HH2 ARG 10 17.297 25.499 2.037 55 H PHE 11 H PHE 11 13.364 18.592 1.398 56 HA PHE 11 HA PHE 11 10.837 17.931 2.722 57 HB2 PHE 11 1HB PHE 11 13.368 16.369 2.231 58 HB3 PHE 11 2HB PHE 11 12.116 15.800 3.330 59 HD1 PHE 11 2HD PHE 11 12.945 16.517 -0.169 60 HD2 PHE 11 1HD PHE 11 10.036 14.948 2.512 61 HE1 PHE 11 2HE PHE 11 11.734 15.529 -2.068 62 HE2 PHE 11 1HE PHE 11 8.820 13.956 0.617 63 HZ PHE 11 HZ PHE 11 9.667 14.247 -1.677 64 H THR 12 H THR 12 10.548 18.074 4.871 65 HA THR 12 HA THR 12 12.832 19.014 6.476 66 HB THR 12 HB THR 12 11.286 20.153 7.923 67 HG1 THR 12 1HG THR 12 9.207 19.075 6.293 68 HG21 THR 12 1HG2 THR 12 10.243 20.770 5.177 69 HG22 THR 12 2HG2 THR 12 11.914 21.123 5.615 70 HG23 THR 12 3HG2 THR 12 10.591 21.874 6.507 71 H GLN 13 H GLN 13 10.714 16.433 5.998 72 HA GLN 13 HA GLN 13 11.624 15.190 8.480 73 HB2 GLN 13 1HB GLN 13 8.791 15.736 7.737 74 HB3 GLN 13 2HB GLN 13 9.153 14.206 8.524 75 HG2 GLN 13 1HG GLN 13 9.918 16.897 9.629 76 HG3 GLN 13 2HG GLN 13 8.455 16.018 10.069 77 HE21 GLN 13 1HE2 GLN 13 8.571 14.379 11.509 78 HE22 GLN 13 2HE2 GLN 13 10.022 13.893 12.311 79 H ASP 14 H ASP 14 12.748 13.515 7.730 80 HA ASP 14 HA ASP 14 12.801 12.286 5.359 81 HB2 ASP 14 1HB ASP 14 12.774 10.529 7.795 82 HB3 ASP 14 2HB ASP 14 13.799 10.425 6.366 83 H LEU 15 H LEU 15 11.434 11.265 4.059 84 HA LEU 15 HA LEU 15 8.749 10.936 4.494 85 HB2 LEU 15 1HB LEU 15 9.470 10.774 2.285 86 HB3 LEU 15 2HB LEU 15 10.668 9.540 2.670 87 HG LEU 15 HG LEU 15 8.568 8.077 3.199 88 HD11 LEU 15 1HD1 LEU 15 7.429 10.151 1.331 89 HD12 LEU 15 2HD1 LEU 15 6.925 9.852 2.995 90 HD13 LEU 15 3HD1 LEU 15 6.662 8.621 1.759 91 HD21 LEU 15 1HD2 LEU 15 10.322 8.050 1.242 92 HD22 LEU 15 2HD2 LEU 15 8.941 8.597 0.291 93 HD23 LEU 15 3HD2 LEU 15 8.860 7.066 1.164 94 H LYS 16 H LYS 16 7.508 9.584 5.618 95 HA LYS 16 HA LYS 16 8.781 7.238 6.848 96 HB2 LYS 16 1HB LYS 16 7.946 8.403 8.635 97 HB3 LYS 16 2HB LYS 16 6.639 9.115 7.698 98 HG2 LYS 16 1HG LYS 16 6.552 6.193 8.211 99 HG3 LYS 16 2HG LYS 16 6.196 7.289 9.548 100 HD2 LYS 16 1HD LYS 16 4.365 8.241 8.416 101 HD3 LYS 16 2HD LYS 16 4.864 7.559 6.866 102 HE2 LYS 16 1HE LYS 16 3.105 6.183 7.499 103 HE3 LYS 16 2HE LYS 16 4.524 5.276 8.023 104 HZ1 LYS 16 1HZ LYS 16 4.193 6.199 10.262 105 HZ2 LYS 16 2HZ LYS 16 2.876 5.269 9.750 106 HZ3 LYS 16 3HZ LYS 16 2.775 6.958 9.736 107 H THR 17 H THR 17 7.793 5.218 6.794 108 HA THR 17 HA THR 17 5.522 4.942 4.937 109 HB THR 17 HB THR 17 7.460 4.240 3.703 110 HG1 THR 17 1HG THR 17 5.861 2.836 3.237 111 HG21 THR 17 1HG2 THR 17 8.159 2.075 5.615 112 HG22 THR 17 2HG2 THR 17 8.677 3.715 6.009 113 HG23 THR 17 3HG2 THR 17 9.185 2.969 4.494 114 H LYS 18 H LYS 18 4.627 2.597 5.101 115 HA LYS 18 HA LYS 18 4.612 1.735 7.914 116 HB2 LYS 18 1HB LYS 18 2.283 1.633 8.015 117 HB3 LYS 18 2HB LYS 18 2.581 3.139 7.157 118 HG2 LYS 18 1HG LYS 18 0.944 2.248 5.850 119 HG3 LYS 18 2HG LYS 18 2.369 1.591 5.041 120 HD2 LYS 18 1HD LYS 18 1.134 -0.319 5.244 121 HD3 LYS 18 2HD LYS 18 2.003 -0.371 6.779 122 HE2 LYS 18 1HE LYS 18 -0.686 0.942 6.512 123 HE3 LYS 18 2HE LYS 18 -0.519 -0.783 6.832 124 HZ1 LYS 18 1HZ LYS 18 -0.505 -0.126 8.958 125 HZ2 LYS 18 2HZ LYS 18 -0.080 1.469 8.589 126 HZ3 LYS 18 3HZ LYS 18 1.114 0.274 8.674 127 H GLU 19 H GLU 19 4.049 -0.482 8.260 128 HA GLU 19 HA GLU 19 4.747 -2.165 5.966 129 HB2 GLU 19 1HB GLU 19 5.384 -3.846 7.525 130 HB3 GLU 19 2HB GLU 19 6.036 -2.328 8.126 131 HG2 GLU 19 1HG GLU 19 3.988 -2.187 9.601 132 HG3 GLU 19 2HG GLU 19 3.665 -3.858 9.145 133 H ALA 20 H ALA 20 3.290 -3.412 4.993 134 HA ALA 20 HA ALA 20 0.837 -4.138 6.438 135 HB1 ALA 20 1HB ALA 20 1.050 -2.421 4.100 136 HB2 ALA 20 2HB ALA 20 -0.037 -3.788 3.850 137 HB3 ALA 20 3HB ALA 20 -0.308 -2.681 5.196 138 H SER 21 H SER 21 -0.404 -5.865 5.233 139 HA SER 21 HA SER 21 1.502 -7.888 4.334 140 HB2 SER 21 1HB SER 21 -1.426 -8.191 5.044 141 HB3 SER 21 2HB SER 21 -0.280 -9.500 4.755 142 HG SER 21 HG SER 21 0.605 -9.174 6.669 143 H GLU 22 H GLU 22 0.597 -9.449 2.630 144 HA GLU 22 HA GLU 22 0.356 -8.109 0.201 145 HB2 GLU 22 1HB GLU 22 -0.028 -10.925 1.092 146 HB3 GLU 22 2HB GLU 22 -0.631 -10.480 -0.498 147 HG2 GLU 22 1HG GLU 22 1.678 -9.558 -0.965 148 HG3 GLU 22 2HG GLU 22 2.193 -10.376 0.510 149 H GLY 23 H GLY 23 -1.319 -7.417 -1.024 150 HA2 GLY 23 1HA GLY 23 -3.534 -7.209 -1.740 151 HA3 GLY 23 2HA GLY 23 -4.041 -8.208 -0.386 152 H ALA 24 H ALA 24 -2.408 -6.442 1.443 153 HA ALA 24 HA ALA 24 -4.529 -4.657 2.130 154 HB1 ALA 24 1HB ALA 24 -2.475 -5.828 3.509 155 HB2 ALA 24 2HB ALA 24 -1.958 -4.144 3.414 156 HB3 ALA 24 3HB ALA 24 -3.521 -4.547 4.123 157 H THR 25 H THR 25 -3.612 -2.319 2.871 158 HA THR 25 HA THR 25 -2.386 -1.144 0.460 159 HB THR 25 HB THR 25 -4.507 0.083 2.234 160 HG1 THR 25 1HG THR 25 -5.553 0.015 -0.006 161 HG21 THR 25 1HG2 THR 25 -3.821 1.331 -0.344 162 HG22 THR 25 2HG2 THR 25 -2.581 1.454 0.904 163 HG23 THR 25 3HG2 THR 25 -4.204 2.072 1.210 164 H ALA 26 H ALA 26 -0.679 0.172 0.735 165 HA ALA 26 HA ALA 26 0.404 0.458 3.409 166 HB1 ALA 26 1HB ALA 26 2.314 0.235 2.306 167 HB2 ALA 26 2HB ALA 26 1.469 0.340 0.760 168 HB3 ALA 26 3HB ALA 26 2.038 1.808 1.555 169 H THR 27 H THR 27 1.647 2.707 3.660 170 HA THR 27 HA THR 27 0.164 4.993 2.736 171 HB THR 27 HB THR 27 0.113 4.426 5.703 172 HG1 THR 27 1HG THR 27 -1.993 4.220 3.788 173 HG21 THR 27 1HG2 THR 27 0.115 6.804 5.062 174 HG22 THR 27 2HG2 THR 27 -1.417 6.320 5.789 175 HG23 THR 27 3HG2 THR 27 -1.294 6.520 4.041 176 H LEU 28 H LEU 28 1.840 6.235 2.194 177 HA LEU 28 HA LEU 28 4.073 6.484 4.098 178 HB2 LEU 28 1HB LEU 28 4.110 7.141 1.160 179 HB3 LEU 28 2HB LEU 28 5.488 7.066 2.257 180 HG LEU 28 HG LEU 28 4.689 4.546 2.488 181 HD11 LEU 28 1HD1 LEU 28 3.005 4.075 1.105 182 HD12 LEU 28 2HD1 LEU 28 4.198 4.169 -0.190 183 HD13 LEU 28 3HD1 LEU 28 3.211 5.576 0.203 184 HD21 LEU 28 1HD2 LEU 28 6.891 5.434 1.710 185 HD22 LEU 28 2HD2 LEU 28 6.226 5.498 0.077 186 HD23 LEU 28 3HD2 LEU 28 6.378 3.949 0.908 187 H GLN 29 H GLN 29 4.559 8.431 4.932 188 HA GLN 29 HA GLN 29 3.135 10.775 3.859 189 HB2 GLN 29 1HB GLN 29 3.529 9.882 6.696 190 HB3 GLN 29 2HB GLN 29 3.300 11.586 6.325 191 HG2 GLN 29 1HG GLN 29 1.172 11.010 5.204 192 HG3 GLN 29 2HG GLN 29 1.394 9.339 5.717 193 HE21 GLN 29 1HE2 GLN 29 -0.246 9.107 7.115 194 HE22 GLN 29 2HE2 GLN 29 -0.461 10.051 8.545 195 H CYS 30 H CYS 30 4.265 12.662 3.664 196 HA CYS 30 HA CYS 30 6.977 12.816 4.724 197 HB2 CYS 30 1HB CYS 30 8.043 13.172 2.659 198 HB3 CYS 30 2HB CYS 30 6.976 11.804 2.363 199 HG CYS 30 HG CYS 30 5.575 12.868 0.478 200 H GLU 31 H GLU 31 7.592 14.850 5.256 201 HA GLU 31 HA GLU 31 5.580 16.938 4.966 202 HB2 GLU 31 1HB GLU 31 6.876 16.292 7.141 203 HB3 GLU 31 2HB GLU 31 8.158 17.281 6.456 204 HG2 GLU 31 1HG GLU 31 6.938 19.228 6.633 205 HG3 GLU 31 2HG GLU 31 5.393 18.380 6.665 206 H LEU 32 H LEU 32 6.545 19.232 4.695 207 HA LEU 32 HA LEU 32 8.826 19.373 2.917 208 HB2 LEU 32 1HB LEU 32 6.050 20.107 2.004 209 HB3 LEU 32 2HB LEU 32 7.528 20.565 1.160 210 HG LEU 32 HG LEU 32 6.753 17.697 1.651 211 HD11 LEU 32 1HD1 LEU 32 5.478 19.562 -0.071 212 HD12 LEU 32 2HD1 LEU 32 5.195 17.828 0.083 213 HD13 LEU 32 3HD1 LEU 32 6.396 18.428 -1.062 214 HD21 LEU 32 1HD2 LEU 32 8.232 17.676 -0.561 215 HD22 LEU 32 2HD2 LEU 32 8.941 17.589 1.052 216 HD23 LEU 32 3HD2 LEU 32 8.898 19.127 0.189 217 H SER 33 H SER 33 9.627 21.488 2.637 218 HA SER 33 HA SER 33 9.265 23.200 4.844 219 HB2 SER 33 1HB SER 33 11.358 23.081 3.524 220 HB3 SER 33 2HB SER 33 10.528 23.844 2.168 221 HG SER 33 HG SER 33 10.615 25.059 4.713 222 H LYS 34 H LYS 34 7.766 23.057 1.710 223 HA LYS 34 HA LYS 34 5.755 24.941 2.518 224 HB2 LYS 34 1HB LYS 34 6.092 26.541 0.713 225 HB3 LYS 34 2HB LYS 34 7.520 26.470 1.738 226 HG2 LYS 34 1HG LYS 34 8.798 25.448 0.122 227 HG3 LYS 34 2HG LYS 34 7.395 24.786 -0.719 228 HD2 LYS 34 1HD LYS 34 6.935 26.778 -1.795 229 HD3 LYS 34 2HD LYS 34 7.768 27.747 -0.578 230 HE2 LYS 34 1HE LYS 34 9.860 26.386 -1.462 231 HE3 LYS 34 2HE LYS 34 8.861 26.258 -2.909 232 HZ1 LYS 34 1HZ LYS 34 9.876 28.712 -1.603 233 HZ2 LYS 34 2HZ LYS 34 8.614 28.752 -2.729 234 HZ3 LYS 34 3HZ LYS 34 10.140 28.183 -3.189 235 H VAL 35 H VAL 35 3.923 24.932 1.146 236 HA VAL 35 HA VAL 35 3.281 22.494 -0.016 237 HB VAL 35 HB VAL 35 2.033 25.166 -0.673 238 HG11 VAL 35 1HG1 VAL 35 0.989 23.855 -2.189 239 HG12 VAL 35 2HG1 VAL 35 1.357 22.365 -1.317 240 HG13 VAL 35 3HG1 VAL 35 0.021 23.389 -0.791 241 HG21 VAL 35 1HG2 VAL 35 1.292 25.227 1.418 242 HG22 VAL 35 2HG2 VAL 35 0.471 23.688 1.160 243 HG23 VAL 35 3HG2 VAL 35 2.121 23.714 1.782 244 H ALA 36 H ALA 36 4.181 21.582 -1.736 245 HA ALA 36 HA ALA 36 4.326 23.062 -4.231 246 HB1 ALA 36 1HB ALA 36 6.639 22.674 -2.620 247 HB2 ALA 36 2HB ALA 36 6.799 21.694 -4.078 248 HB3 ALA 36 3HB ALA 36 6.513 23.429 -4.209 249 HA PRO 37 HA PRO 37 3.178 19.182 -5.938 250 HB2 PRO 37 1HB PRO 37 4.187 19.416 -8.448 251 HB3 PRO 37 2HB PRO 37 2.766 20.310 -7.897 252 HG2 PRO 37 1HG PRO 37 5.608 21.224 -8.122 253 HG3 PRO 37 2HG PRO 37 4.119 22.077 -8.571 254 HD2 PRO 37 1HD PRO 37 5.447 22.579 -6.265 255 HD3 PRO 37 2HD PRO 37 3.683 22.718 -6.400 256 H VAL 38 H VAL 38 4.127 17.365 -5.247 257 HA VAL 38 HA VAL 38 6.967 16.921 -5.882 258 HB VAL 38 HB VAL 38 7.099 15.411 -4.047 259 HG11 VAL 38 1HG1 VAL 38 6.750 18.036 -3.705 260 HG12 VAL 38 2HG1 VAL 38 5.394 17.447 -2.741 261 HG13 VAL 38 3HG1 VAL 38 7.037 16.929 -2.363 262 HG21 VAL 38 1HG2 VAL 38 5.098 14.177 -4.177 263 HG22 VAL 38 2HG2 VAL 38 5.034 15.000 -2.619 264 HG23 VAL 38 3HG2 VAL 38 4.100 15.618 -3.981 265 H GLU 39 H GLU 39 7.614 14.730 -6.450 266 HA GLU 39 HA GLU 39 5.471 13.211 -7.782 267 HB2 GLU 39 1HB GLU 39 6.951 14.517 -9.357 268 HB3 GLU 39 2HB GLU 39 8.286 13.501 -8.831 269 HG2 GLU 39 1HG GLU 39 7.668 12.356 -10.683 270 HG3 GLU 39 2HG GLU 39 6.613 11.572 -9.509 271 H TRP 40 H TRP 40 5.400 11.089 -7.357 272 HA TRP 40 HA TRP 40 7.393 9.999 -5.533 273 HB2 TRP 40 1HB TRP 40 4.742 8.895 -6.483 274 HB3 TRP 40 2HB TRP 40 5.793 8.109 -5.309 275 HD1 TRP 40 HD TRP 40 3.746 11.373 -5.689 276 HE1 TRP 40 1HE TRP 40 3.027 12.138 -3.339 277 HE3 TRP 40 3HE TRP 40 6.204 7.861 -2.903 278 HZ2 TRP 40 2HZ TRP 40 3.447 11.357 -0.659 279 HZ3 TRP 40 3HZ TRP 40 5.994 7.940 -0.453 280 HH2 TRP 40 HH TRP 40 4.644 9.653 0.644 281 H LYS 41 H LYS 41 8.623 8.178 -5.935 282 HA LYS 41 HA LYS 41 8.508 7.036 -8.635 283 HB2 LYS 41 1HB LYS 41 10.858 8.338 -7.307 284 HB3 LYS 41 2HB LYS 41 11.118 7.019 -8.442 285 HG2 LYS 41 1HG LYS 41 9.525 8.488 -9.956 286 HG3 LYS 41 2HG LYS 41 10.145 9.779 -8.924 287 HD2 LYS 41 1HD LYS 41 12.450 9.039 -9.474 288 HD3 LYS 41 2HD LYS 41 11.767 7.862 -10.598 289 HE2 LYS 41 1HE LYS 41 12.200 9.596 -12.030 290 HE3 LYS 41 2HE LYS 41 10.545 9.981 -11.560 291 HZ1 LYS 41 1HZ LYS 41 11.241 11.911 -10.771 292 HZ2 LYS 41 2HZ LYS 41 12.820 11.563 -11.269 293 HZ3 LYS 41 3HZ LYS 41 12.312 11.141 -9.711 294 H LYS 42 H LYS 42 9.179 4.898 -8.805 295 HA LYS 42 HA LYS 42 9.555 3.518 -6.230 296 HB2 LYS 42 1HB LYS 42 7.460 2.966 -7.433 297 HB3 LYS 42 2HB LYS 42 8.414 2.416 -8.805 298 HG2 LYS 42 1HG LYS 42 9.198 0.546 -7.671 299 HG3 LYS 42 2HG LYS 42 8.806 1.223 -6.088 300 HD2 LYS 42 1HD LYS 42 6.562 0.726 -6.284 301 HD3 LYS 42 2HD LYS 42 6.611 0.713 -8.049 302 HE2 LYS 42 1HE LYS 42 8.235 -1.339 -7.605 303 HE3 LYS 42 2HE LYS 42 7.316 -1.420 -6.103 304 HZ1 LYS 42 1HZ LYS 42 5.392 -1.932 -7.199 305 HZ2 LYS 42 2HZ LYS 42 6.514 -2.689 -8.213 306 HZ3 LYS 42 3HZ LYS 42 5.864 -1.188 -8.643 307 H GLY 43 H GLY 43 11.541 4.711 -8.221 308 HA2 GLY 43 1HA GLY 43 13.776 3.394 -7.879 309 HA3 GLY 43 2HA GLY 43 12.998 2.291 -9.005 310 HA PRO 44 HA PRO 44 15.420 5.003 -11.723 311 HB2 PRO 44 1HB PRO 44 15.602 3.177 -13.724 312 HB3 PRO 44 2HB PRO 44 16.674 3.172 -12.318 313 HG2 PRO 44 1HG PRO 44 14.239 1.513 -12.850 314 HG3 PRO 44 2HG PRO 44 15.802 1.021 -12.171 315 HD2 PRO 44 1HD PRO 44 13.624 1.484 -10.630 316 HD3 PRO 44 2HD PRO 44 15.277 1.806 -10.069 317 H GLU 45 H GLU 45 12.284 4.020 -11.684 318 HA GLU 45 HA GLU 45 11.707 5.323 -14.264 319 HB2 GLU 45 1HB GLU 45 10.579 2.872 -13.017 320 HB3 GLU 45 2HB GLU 45 9.461 3.916 -13.884 321 HG2 GLU 45 1HG GLU 45 10.418 3.498 -15.912 322 HG3 GLU 45 2HG GLU 45 12.003 3.160 -15.219 323 H THR 46 H THR 46 9.395 6.209 -14.303 324 HA THR 46 HA THR 46 8.904 7.608 -11.757 325 HB THR 46 HB THR 46 7.832 8.663 -14.336 326 HG1 THR 46 1HG THR 46 10.418 9.423 -13.524 327 HG21 THR 46 1HG2 THR 46 7.150 10.037 -12.636 328 HG22 THR 46 2HG2 THR 46 8.697 10.794 -13.014 329 HG23 THR 46 3HG2 THR 46 8.566 9.692 -11.643 330 H LEU 47 H LEU 47 6.878 7.650 -10.894 331 HA LEU 47 HA LEU 47 4.910 5.868 -12.140 332 HB2 LEU 47 1HB LEU 47 5.140 6.916 -9.324 333 HB3 LEU 47 2HB LEU 47 3.836 5.881 -9.903 334 HG LEU 47 HG LEU 47 6.753 5.123 -9.738 335 HD11 LEU 47 1HD1 LEU 47 6.327 4.653 -7.614 336 HD12 LEU 47 2HD1 LEU 47 5.165 3.446 -8.162 337 HD13 LEU 47 3HD1 LEU 47 4.628 5.087 -7.804 338 HD21 LEU 47 1HD2 LEU 47 4.346 3.790 -10.880 339 HD22 LEU 47 2HD2 LEU 47 5.571 2.802 -10.084 340 HD23 LEU 47 3HD2 LEU 47 6.010 3.810 -11.464 341 H ARG 48 H ARG 48 2.560 6.600 -11.223 342 HA ARG 48 HA ARG 48 2.128 9.446 -11.413 343 HB2 ARG 48 1HB ARG 48 1.320 7.575 -13.632 344 HB3 ARG 48 2HB ARG 48 0.491 9.101 -13.356 345 HG2 ARG 48 1HG ARG 48 2.625 10.289 -13.652 346 HG3 ARG 48 2HG ARG 48 3.411 8.747 -13.997 347 HD2 ARG 48 1HD ARG 48 1.009 9.590 -15.564 348 HD3 ARG 48 2HD ARG 48 2.594 10.256 -15.955 349 HE ARG 48 HE ARG 48 2.719 7.434 -15.777 350 HH11 ARG 48 2HH1 ARG 48 1.592 10.007 -17.833 351 HH12 ARG 48 1HH1 ARG 48 1.731 9.080 -19.290 352 HH21 ARG 48 2HH2 ARG 48 2.906 6.203 -17.688 353 HH22 ARG 48 1HH2 ARG 48 2.478 6.916 -19.206 354 H ASP 49 H ASP 49 -0.064 10.056 -10.955 355 HA ASP 49 HA ASP 49 -1.352 8.193 -9.162 356 HB2 ASP 49 1HB ASP 49 -2.563 10.009 -8.351 357 HB3 ASP 49 2HB ASP 49 -1.056 10.762 -8.864 358 H GLY 50 H GLY 50 -2.954 6.861 -9.682 359 HA2 GLY 50 1HA GLY 50 -5.258 7.282 -10.999 360 HA3 GLY 50 2HA GLY 50 -4.137 7.010 -12.326 361 H GLY 51 H GLY 51 -2.676 4.981 -11.890 362 HA2 GLY 51 1HA GLY 51 -4.370 2.738 -11.947 363 HA3 GLY 51 2HA GLY 51 -2.618 2.689 -11.816 364 H ARG 52 H ARG 52 -2.272 1.219 -10.255 365 HA ARG 52 HA ARG 52 -3.918 1.112 -7.889 366 HB2 ARG 52 1HB ARG 52 -1.397 -0.386 -8.627 367 HB3 ARG 52 2HB ARG 52 -2.382 -0.714 -7.208 368 HG2 ARG 52 1HG ARG 52 -4.301 -1.143 -8.789 369 HG3 ARG 52 2HG ARG 52 -3.115 -1.095 -10.095 370 HD2 ARG 52 1HD ARG 52 -2.057 -3.025 -9.381 371 HD3 ARG 52 2HD ARG 52 -2.658 -2.865 -7.732 372 HE ARG 52 HE ARG 52 -4.590 -3.949 -8.353 373 HH11 ARG 52 2HH1 ARG 52 -2.749 -3.103 -11.184 374 HH12 ARG 52 1HH1 ARG 52 -3.722 -4.050 -12.260 375 HH21 ARG 52 2HH2 ARG 52 -5.879 -5.200 -9.760 376 HH22 ARG 52 1HH2 ARG 52 -5.503 -5.241 -11.449 377 H TYR 53 H TYR 53 -2.770 3.615 -8.103 378 HA TYR 53 HA TYR 53 -1.240 3.707 -5.638 379 HB2 TYR 53 1HB TYR 53 -0.172 4.900 -8.205 380 HB3 TYR 53 2HB TYR 53 0.522 5.140 -6.606 381 HD1 TYR 53 1HD TYR 53 1.281 3.010 -5.342 382 HD2 TYR 53 2HD TYR 53 0.558 3.133 -9.533 383 HE1 TYR 53 1HE TYR 53 2.660 0.994 -5.633 384 HE2 TYR 53 2HE TYR 53 1.934 1.118 -9.836 385 HH TYR 53 HH TYR 53 2.599 -0.974 -7.835 386 H SER 54 H SER 54 -2.431 5.053 -4.467 387 HA SER 54 HA SER 54 -3.645 7.389 -5.772 388 HB2 SER 54 1HB SER 54 -4.383 5.720 -3.412 389 HB3 SER 54 2HB SER 54 -4.839 7.424 -3.393 390 HG SER 54 HG SER 54 -6.029 5.425 -4.664 391 H LEU 55 H LEU 55 -2.386 9.129 -5.654 392 HA LEU 55 HA LEU 55 -0.928 9.642 -3.148 393 HB2 LEU 55 1HB LEU 55 -0.296 11.058 -5.693 394 HB3 LEU 55 2HB LEU 55 0.755 10.681 -4.329 395 HG LEU 55 HG LEU 55 0.513 8.232 -5.105 396 HD11 LEU 55 1HD1 LEU 55 -0.752 7.839 -6.880 397 HD12 LEU 55 2HD1 LEU 55 0.324 8.841 -7.852 398 HD13 LEU 55 3HD1 LEU 55 -1.078 9.562 -7.063 399 HD21 LEU 55 1HD2 LEU 55 2.114 10.401 -6.392 400 HD22 LEU 55 2HD2 LEU 55 2.246 8.744 -6.981 401 HD23 LEU 55 3HD2 LEU 55 2.634 9.116 -5.301 402 H LYS 56 H LYS 56 -1.780 11.160 -1.906 403 HA LYS 56 HA LYS 56 -3.325 13.323 -3.177 404 HB2 LYS 56 1HB LYS 56 -4.532 11.702 -1.616 405 HB3 LYS 56 2HB LYS 56 -3.602 12.427 -0.311 406 HG2 LYS 56 1HG LYS 56 -4.552 14.661 -1.146 407 HG3 LYS 56 2HG LYS 56 -5.719 13.669 -2.024 408 HD2 LYS 56 1HD LYS 56 -6.676 12.847 -0.076 409 HD3 LYS 56 2HD LYS 56 -5.250 13.214 0.897 410 HE2 LYS 56 1HE LYS 56 -5.804 15.435 1.113 411 HE3 LYS 56 2HE LYS 56 -6.740 15.457 -0.381 412 HZ1 LYS 56 1HZ LYS 56 -8.249 13.826 0.978 413 HZ2 LYS 56 2HZ LYS 56 -8.404 15.502 1.152 414 HZ3 LYS 56 3HZ LYS 56 -7.545 14.608 2.304 415 H GLN 57 H GLN 57 -2.873 15.420 -2.673 416 HA GLN 57 HA GLN 57 -0.415 15.868 -1.143 417 HB2 GLN 57 1HB GLN 57 -0.509 16.723 -3.460 418 HB3 GLN 57 2HB GLN 57 -1.883 17.729 -3.019 419 HG2 GLN 57 1HG GLN 57 -0.223 19.259 -2.826 420 HG3 GLN 57 2HG GLN 57 -0.204 18.610 -1.187 421 HE21 GLN 57 1HE2 GLN 57 2.003 19.742 -1.625 422 HE22 GLN 57 2HE2 GLN 57 3.278 18.677 -2.098 423 H ASP 58 H ASP 58 -0.278 17.495 0.443 424 HA ASP 58 HA ASP 58 -2.734 18.772 1.336 425 HB2 ASP 58 1HB ASP 58 -1.291 16.640 2.868 426 HB3 ASP 58 2HB ASP 58 -2.082 17.950 3.742 427 H GLY 59 H GLY 59 -2.306 20.300 3.169 428 HA2 GLY 59 1HA GLY 59 -0.421 22.178 2.570 429 HA3 GLY 59 2HA GLY 59 -1.065 21.954 4.189 430 H THR 60 H THR 60 1.690 21.851 2.263 431 HA THR 60 HA THR 60 3.827 21.082 2.559 432 HB THR 60 HB THR 60 4.760 21.510 4.817 433 HG1 THR 60 1HG THR 60 2.113 22.282 5.528 434 HG21 THR 60 1HG2 THR 60 4.708 23.791 4.587 435 HG22 THR 60 2HG2 THR 60 2.971 23.830 4.283 436 HG23 THR 60 3HG2 THR 60 4.078 23.317 3.010 437 H ARG 61 H ARG 61 1.763 19.027 2.681 438 HA ARG 61 HA ARG 61 3.363 16.953 3.927 439 HB2 ARG 61 1HB ARG 61 0.684 17.791 4.920 440 HB3 ARG 61 2HB ARG 61 1.029 16.068 4.865 441 HG2 ARG 61 1HG ARG 61 2.738 16.230 6.428 442 HG3 ARG 61 2HG ARG 61 2.937 17.965 6.170 443 HD2 ARG 61 1HD ARG 61 0.529 18.147 7.074 444 HD3 ARG 61 2HD ARG 61 0.794 16.514 7.682 445 HE ARG 61 HE ARG 61 2.891 18.304 8.425 446 HH11 ARG 61 2HH1 ARG 61 -0.330 17.254 9.224 447 HH12 ARG 61 1HH1 ARG 61 -0.203 17.701 10.893 448 HH21 ARG 61 2HH2 ARG 61 3.071 18.897 10.621 449 HH22 ARG 61 1HH2 ARG 61 1.732 18.636 11.686 450 H CYS 62 H CYS 62 2.825 14.827 3.198 451 HA CYS 62 HA CYS 62 0.928 14.678 0.971 452 HB2 CYS 62 1HB CYS 62 3.708 13.522 0.768 453 HB3 CYS 62 2HB CYS 62 2.499 13.651 -0.504 454 HG CYS 62 HG CYS 62 3.852 16.429 0.944 455 H GLU 63 H GLU 63 0.165 12.568 0.504 456 HA GLU 63 HA GLU 63 0.922 10.450 2.374 457 HB2 GLU 63 1HB GLU 63 -0.962 11.519 3.455 458 HB3 GLU 63 2HB GLU 63 -1.899 11.451 1.969 459 HG2 GLU 63 1HG GLU 63 -2.009 9.055 2.083 460 HG3 GLU 63 2HG GLU 63 -0.931 9.035 3.477 461 H LEU 64 H LEU 64 1.604 8.922 1.014 462 HA LEU 64 HA LEU 64 0.156 8.466 -1.489 463 HB2 LEU 64 1HB LEU 64 2.457 8.659 -1.876 464 HB3 LEU 64 2HB LEU 64 2.863 7.667 -0.477 465 HG LEU 64 HG LEU 64 1.939 5.695 -1.696 466 HD11 LEU 64 1HD1 LEU 64 2.132 7.169 -4.255 467 HD12 LEU 64 2HD1 LEU 64 0.678 7.415 -3.289 468 HD13 LEU 64 3HD1 LEU 64 1.126 5.791 -3.809 469 HD21 LEU 64 1HD2 LEU 64 4.404 6.703 -1.751 470 HD22 LEU 64 2HD2 LEU 64 4.031 6.813 -3.472 471 HD23 LEU 64 3HD2 LEU 64 3.952 5.254 -2.650 472 H GLN 65 H GLN 65 -0.719 6.481 -2.044 473 HA GLN 65 HA GLN 65 -0.805 4.440 0.071 474 HB2 GLN 65 1HB GLN 65 -3.066 5.825 -1.281 475 HB3 GLN 65 2HB GLN 65 -3.250 4.110 -0.938 476 HG2 GLN 65 1HG GLN 65 -2.519 4.744 1.453 477 HG3 GLN 65 2HG GLN 65 -2.926 6.389 0.967 478 HE21 GLN 65 1HE2 GLN 65 -4.086 3.917 2.621 479 HE22 GLN 65 2HE2 GLN 65 -5.779 4.077 2.319 480 H ILE 66 H ILE 66 -0.781 2.333 -0.603 481 HA ILE 66 HA ILE 66 -0.590 1.894 -3.512 482 HB ILE 66 HB ILE 66 0.927 0.403 -1.368 483 HG12 ILE 66 1HG1 ILE 66 2.206 2.132 -3.452 484 HG13 ILE 66 2HG1 ILE 66 1.540 2.879 -2.005 485 HG21 ILE 66 1HG2 ILE 66 0.586 0.039 -4.290 486 HG22 ILE 66 2HG2 ILE 66 2.192 -0.237 -3.618 487 HG23 ILE 66 3HG2 ILE 66 0.814 -1.159 -3.016 488 HD11 ILE 66 1HD1 ILE 66 3.677 2.547 -1.322 489 HD12 ILE 66 2HD1 ILE 66 2.975 1.009 -0.818 490 HD13 ILE 66 3HD1 ILE 66 3.893 1.110 -2.320 491 H HIS 67 H HIS 67 -2.757 1.281 -3.699 492 HA HIS 67 HA HIS 67 -4.018 -0.638 -2.055 493 HB2 HIS 67 1HB HIS 67 -4.670 0.089 -4.918 494 HB3 HIS 67 2HB HIS 67 -5.744 -0.718 -3.780 495 HD1 HIS 67 1HD HIS 67 -7.232 0.758 -2.444 496 HD2 HIS 67 2HD HIS 67 -4.024 2.834 -4.075 497 HE1 HIS 67 1HE HIS 67 -7.655 3.178 -1.907 498 HE2 HIS 67 2HE HIS 67 -5.745 4.423 -2.977 499 H ASP 68 H ASP 68 -4.571 -2.817 -2.518 500 HA ASP 68 HA ASP 68 -4.014 -4.968 -3.024 501 HB2 ASP 68 1HB ASP 68 -3.774 -3.524 -5.637 502 HB3 ASP 68 2HB ASP 68 -3.306 -5.220 -5.543 503 H LEU 69 H LEU 69 -2.070 -4.012 -1.560 504 HA LEU 69 HA LEU 69 0.485 -3.720 -2.574 505 HB2 LEU 69 1HB LEU 69 -0.648 -4.624 0.013 506 HB3 LEU 69 2HB LEU 69 1.062 -4.940 -0.277 507 HG LEU 69 HG LEU 69 -0.221 -2.211 -0.388 508 HD11 LEU 69 1HD1 LEU 69 -0.289 -2.475 1.846 509 HD12 LEU 69 2HD1 LEU 69 1.437 -2.134 1.733 510 HD13 LEU 69 3HD1 LEU 69 0.873 -3.802 1.835 511 HD21 LEU 69 1HD2 LEU 69 2.106 -3.045 -1.547 512 HD22 LEU 69 2HD2 LEU 69 2.664 -2.475 0.027 513 HD23 LEU 69 3HD2 LEU 69 1.761 -1.393 -1.034 514 H SER 70 H SER 70 2.314 -5.354 -2.145 515 HA SER 70 HA SER 70 1.741 -8.131 -2.380 516 HB2 SER 70 1HB SER 70 1.118 -7.571 -4.651 517 HB3 SER 70 2HB SER 70 2.614 -6.665 -4.880 518 HG SER 70 HG SER 70 2.249 -9.453 -4.644 519 H VAL 71 H VAL 71 3.745 -9.414 -2.769 520 HA VAL 71 HA VAL 71 5.864 -8.413 -1.167 521 HB VAL 71 HB VAL 71 7.067 -10.517 -2.007 522 HG11 VAL 71 1HG1 VAL 71 6.134 -11.692 -0.301 523 HG12 VAL 71 2HG1 VAL 71 5.425 -10.115 0.055 524 HG13 VAL 71 3HG1 VAL 71 4.484 -11.332 -0.808 525 HG21 VAL 71 1HG2 VAL 71 5.596 -10.625 -4.076 526 HG22 VAL 71 2HG2 VAL 71 5.848 -12.139 -3.207 527 HG23 VAL 71 3HG2 VAL 71 4.333 -11.255 -3.018 528 H ALA 72 H ALA 72 5.172 -8.218 -4.512 529 HA ALA 72 HA ALA 72 7.916 -7.825 -5.342 530 HB1 ALA 72 1HB ALA 72 6.687 -7.122 -7.523 531 HB2 ALA 72 2HB ALA 72 6.690 -8.816 -7.030 532 HB3 ALA 72 3HB ALA 72 5.270 -7.813 -6.731 533 H ASP 73 H ASP 73 5.255 -5.897 -4.269 534 HA ASP 73 HA ASP 73 6.236 -3.421 -5.359 535 HB2 ASP 73 1HB ASP 73 4.000 -4.202 -3.525 536 HB3 ASP 73 2HB ASP 73 4.495 -2.513 -3.615 537 H ALA 74 H ALA 74 6.720 -5.266 -2.476 538 HA ALA 74 HA ALA 74 7.573 -3.229 -0.734 539 HB1 ALA 74 1HB ALA 74 9.026 -5.595 -0.168 540 HB2 ALA 74 2HB ALA 74 7.605 -4.954 0.658 541 HB3 ALA 74 3HB ALA 74 7.411 -6.065 -0.698 542 H GLY 75 H GLY 75 9.059 -1.791 -1.435 543 HA2 GLY 75 1HA GLY 75 11.757 -2.783 -1.881 544 HA3 GLY 75 2HA GLY 75 11.037 -1.909 -3.225 545 H GLU 76 H GLU 76 11.680 0.128 -3.321 546 HA GLU 76 HA GLU 76 11.847 1.677 -0.838 547 HB2 GLU 76 1HB GLU 76 14.131 0.886 -1.459 548 HB3 GLU 76 2HB GLU 76 13.972 1.743 -2.986 549 HG2 GLU 76 1HG GLU 76 13.814 3.856 -1.825 550 HG3 GLU 76 2HG GLU 76 13.863 3.031 -0.269 551 H TYR 77 H TYR 77 10.325 3.173 -1.115 552 HA TYR 77 HA TYR 77 9.929 4.353 -3.766 553 HB2 TYR 77 1HB TYR 77 8.245 4.431 -1.257 554 HB3 TYR 77 2HB TYR 77 7.855 5.319 -2.726 555 HD1 TYR 77 1HD TYR 77 8.438 1.882 -1.428 556 HD2 TYR 77 2HD TYR 77 6.644 4.289 -4.443 557 HE1 TYR 77 1HE TYR 77 7.269 -0.097 -2.304 558 HE2 TYR 77 2HE TYR 77 5.469 2.317 -5.326 559 HH TYR 77 HH TYR 77 4.715 0.095 -4.490 560 H SER 78 H SER 78 10.817 6.242 -4.229 561 HA SER 78 HA SER 78 11.536 8.044 -2.011 562 HB2 SER 78 1HB SER 78 12.798 7.926 -4.759 563 HB3 SER 78 2HB SER 78 13.345 8.886 -3.384 564 HG SER 78 HG SER 78 13.101 6.134 -3.019 565 H CYS 79 H CYS 79 11.095 10.236 -2.183 566 HA CYS 79 HA CYS 79 9.279 10.989 -4.378 567 HB2 CYS 79 1HB CYS 79 8.205 10.743 -2.107 568 HB3 CYS 79 2HB CYS 79 9.199 12.089 -1.565 569 HG CYS 79 HG CYS 79 7.528 12.838 -4.335 570 H MET 80 H MET 80 10.028 12.547 -5.642 571 HA MET 80 HA MET 80 12.255 14.194 -4.707 572 HB2 MET 80 1HB MET 80 11.098 13.963 -7.490 573 HB3 MET 80 2HB MET 80 12.602 14.757 -7.043 574 HG2 MET 80 1HG MET 80 13.339 12.745 -7.871 575 HG3 MET 80 2HG MET 80 13.279 12.434 -6.138 576 HE1 MET 80 1HE MET 80 12.014 9.416 -5.840 577 HE2 MET 80 2HE MET 80 12.762 9.175 -7.418 578 HE3 MET 80 3HE MET 80 13.493 10.283 -6.256 579 H CYS 81 H CYS 81 11.931 16.197 -4.017 580 HA CYS 81 HA CYS 81 9.661 17.722 -5.091 581 HB2 CYS 81 1HB CYS 81 8.960 16.912 -2.914 582 HB3 CYS 81 2HB CYS 81 10.448 17.496 -2.180 583 HG CYS 81 HG CYS 81 9.761 20.230 -2.890 584 H GLY 82 H GLY 82 10.900 19.038 -6.371 585 HA2 GLY 82 1HA GLY 82 11.992 21.066 -6.706 586 HA3 GLY 82 2HA GLY 82 12.377 21.112 -4.992 587 H GLN 83 H GLN 83 14.369 20.534 -4.334 588 HA GLN 83 HA GLN 83 16.174 19.404 -6.371 589 HB2 GLN 83 1HB GLN 83 16.551 21.606 -4.391 590 HB3 GLN 83 2HB GLN 83 17.939 20.613 -4.814 591 HG2 GLN 83 1HG GLN 83 18.119 22.340 -6.311 592 HG3 GLN 83 2HG GLN 83 17.247 21.135 -7.256 593 HE21 GLN 83 1HE2 GLN 83 16.766 23.176 -8.468 594 HE22 GLN 83 2HE2 GLN 83 15.351 24.051 -8.005 595 H GLU 84 H GLU 84 14.867 19.110 -3.221 596 HA GLU 84 HA GLU 84 16.945 17.316 -2.275 597 HB2 GLU 84 1HB GLU 84 14.470 18.510 -1.093 598 HB3 GLU 84 2HB GLU 84 15.159 17.070 -0.357 599 HG2 GLU 84 1HG GLU 84 16.605 19.671 -0.801 600 HG3 GLU 84 2HG GLU 84 15.929 19.115 0.729 601 H ARG 85 H ARG 85 15.981 15.257 -1.116 602 HA ARG 85 HA ARG 85 13.785 13.976 -2.415 603 HB2 ARG 85 1HB ARG 85 15.311 13.703 -4.243 604 HB3 ARG 85 2HB ARG 85 16.594 13.170 -3.165 605 HG2 ARG 85 1HG ARG 85 14.949 11.241 -2.592 606 HG3 ARG 85 2HG ARG 85 14.189 11.689 -4.120 607 HD2 ARG 85 1HD ARG 85 15.701 10.071 -4.781 608 HD3 ARG 85 2HD ARG 85 16.600 11.561 -5.065 609 HE ARG 85 HE ARG 85 17.059 10.460 -2.461 610 HH11 ARG 85 2HH1 ARG 85 17.982 10.294 -5.814 611 HH12 ARG 85 1HH1 ARG 85 19.556 9.650 -5.484 612 HH21 ARG 85 2HH2 ARG 85 19.129 9.613 -2.014 613 HH22 ARG 85 1HH2 ARG 85 20.208 9.263 -3.322 614 H THR 86 H THR 86 13.188 12.047 -1.412 615 HA THR 86 HA THR 86 14.886 11.044 0.747 616 HB THR 86 HB THR 86 13.304 12.784 1.683 617 HG1 THR 86 1HG THR 86 14.215 10.980 2.904 618 HG21 THR 86 1HG2 THR 86 11.236 10.661 1.099 619 HG22 THR 86 2HG2 THR 86 11.369 12.207 0.260 620 HG23 THR 86 3HG2 THR 86 10.974 12.167 1.978 621 H SER 87 H SER 87 14.305 8.933 1.492 622 HA SER 87 HA SER 87 12.371 7.492 -0.182 623 HB2 SER 87 1HB SER 87 13.970 5.622 -0.434 624 HB3 SER 87 2HB SER 87 14.569 7.102 -1.182 625 HG SER 87 HG SER 87 15.578 7.343 1.079 626 H ALA 88 H ALA 88 11.297 5.831 0.819 627 HA ALA 88 HA ALA 88 12.040 5.204 3.592 628 HB1 ALA 88 1HB ALA 88 10.238 6.925 3.545 629 HB2 ALA 88 2HB ALA 88 9.207 5.752 2.724 630 HB3 ALA 88 3HB ALA 88 9.785 5.427 4.358 631 H THR 89 H THR 89 12.746 3.157 3.142 632 HA THR 89 HA THR 89 11.724 1.320 1.366 633 HB THR 89 HB THR 89 13.028 0.854 4.049 634 HG1 THR 89 1HG THR 89 14.151 1.826 2.117 635 HG21 THR 89 1HG2 THR 89 13.402 -1.398 2.425 636 HG22 THR 89 2HG2 THR 89 11.679 -1.032 2.337 637 HG23 THR 89 3HG2 THR 89 12.446 -1.294 3.903 638 H LEU 90 H LEU 90 9.802 0.393 1.176 639 HA LEU 90 HA LEU 90 7.941 0.426 3.404 640 HB2 LEU 90 1HB LEU 90 6.990 1.099 1.361 641 HB3 LEU 90 2HB LEU 90 7.705 -0.256 0.491 642 HG LEU 90 HG LEU 90 6.132 -1.636 2.133 643 HD11 LEU 90 1HD1 LEU 90 4.358 0.707 1.651 644 HD12 LEU 90 2HD1 LEU 90 5.413 0.706 3.064 645 HD13 LEU 90 3HD1 LEU 90 4.227 -0.582 2.847 646 HD21 LEU 90 1HD2 LEU 90 4.629 -0.432 -0.095 647 HD22 LEU 90 2HD2 LEU 90 4.965 -2.125 0.268 648 HD23 LEU 90 3HD2 LEU 90 6.193 -1.130 -0.516 649 H THR 91 H THR 91 6.913 -1.407 4.251 650 HA THR 91 HA THR 91 8.405 -3.914 3.845 651 HB THR 91 HB THR 91 6.854 -3.002 6.276 652 HG1 THR 91 1HG THR 91 8.945 -2.903 7.209 653 HG21 THR 91 1HG2 THR 91 6.743 -5.162 6.824 654 HG22 THR 91 2HG2 THR 91 8.505 -5.170 6.915 655 HG23 THR 91 3HG2 THR 91 7.697 -5.622 5.414 656 H VAL 92 H VAL 92 7.359 -5.662 3.120 657 HA VAL 92 HA VAL 92 4.413 -5.646 3.158 658 HB VAL 92 HB VAL 92 6.146 -6.635 0.888 659 HG11 VAL 92 1HG1 VAL 92 3.741 -7.630 1.582 660 HG12 VAL 92 2HG1 VAL 92 3.239 -6.294 0.544 661 HG13 VAL 92 3HG1 VAL 92 4.321 -7.540 -0.081 662 HG21 VAL 92 1HG2 VAL 92 5.635 -4.739 -0.305 663 HG22 VAL 92 2HG2 VAL 92 4.178 -4.408 0.633 664 HG23 VAL 92 3HG2 VAL 92 5.766 -4.077 1.325 665 H ARG 93 H ARG 93 3.556 -7.371 4.105 666 HA ARG 93 HA ARG 93 5.278 -9.667 4.672 667 HB2 ARG 93 1HB ARG 93 2.648 -8.748 5.828 668 HB3 ARG 93 2HB ARG 93 3.362 -10.307 6.214 669 HG2 ARG 93 1HG ARG 93 5.452 -8.863 6.832 670 HG3 ARG 93 2HG ARG 93 4.257 -7.572 6.972 671 HD2 ARG 93 1HD ARG 93 4.006 -10.231 8.362 672 HD3 ARG 93 2HD ARG 93 4.759 -8.817 9.099 673 HE ARG 93 HE ARG 93 2.336 -7.897 8.319 674 HH11 ARG 93 2HH1 ARG 93 3.369 -10.634 10.207 675 HH12 ARG 93 1HH1 ARG 93 1.937 -10.667 11.182 676 HH21 ARG 93 2HH2 ARG 93 0.446 -7.930 9.597 677 HH22 ARG 93 1HH2 ARG 93 0.275 -9.130 10.834 678 H ALA 94 H ALA 94 5.056 -11.549 3.653 679 HA ALA 94 HA ALA 94 3.087 -11.848 1.586 680 HB1 ALA 94 1HB ALA 94 5.534 -13.210 2.418 681 HB2 ALA 94 2HB ALA 94 4.289 -14.295 1.796 682 HB3 ALA 94 3HB ALA 94 4.867 -12.956 0.805 683 H LEU 95 H LEU 95 1.128 -12.699 1.789 684 HA LEU 95 HA LEU 95 -0.199 -13.378 4.014 685 HB2 LEU 95 1HB LEU 95 -0.430 -14.681 1.311 686 HB3 LEU 95 2HB LEU 95 -1.593 -14.928 2.612 687 HG LEU 95 HG LEU 95 -1.183 -12.581 0.843 688 HD11 LEU 95 1HD1 LEU 95 -3.736 -12.541 1.375 689 HD12 LEU 95 2HD1 LEU 95 -3.444 -14.182 1.949 690 HD13 LEU 95 3HD1 LEU 95 -3.078 -13.755 0.278 691 HD21 LEU 95 1HD2 LEU 95 -2.222 -11.068 2.430 692 HD22 LEU 95 2HD2 LEU 95 -0.700 -11.681 3.077 693 HD23 LEU 95 3HD2 LEU 95 -2.233 -12.332 3.660 694 HA PRO 96 HA PRO 96 1.369 -17.079 5.779 695 HB2 PRO 96 1HB PRO 96 -0.893 -18.173 6.808 696 HB3 PRO 96 2HB PRO 96 -0.114 -16.746 7.502 697 HG2 PRO 96 1HG PRO 96 -2.479 -16.912 5.673 698 HG3 PRO 96 2HG PRO 96 -2.242 -15.894 7.105 699 HD2 PRO 96 1HD PRO 96 -1.928 -14.958 4.584 700 HD3 PRO 96 2HD PRO 96 -0.975 -14.350 5.953 701 H ALA 97 H ALA 97 1.583 -19.295 5.445 702 HA ALA 97 HA ALA 97 1.005 -20.282 2.895 703 HB1 ALA 97 1HB ALA 97 1.649 -21.876 5.374 704 HB2 ALA 97 2HB ALA 97 1.815 -22.421 3.704 705 HB3 ALA 97 3HB ALA 97 2.833 -21.115 4.311 706 H ARG 98 H ARG 98 -0.457 -21.216 6.015 707 HA ARG 98 HA ARG 98 -2.645 -22.511 4.575 708 HB2 ARG 98 1HB ARG 98 -3.228 -23.541 6.656 709 HB3 ARG 98 2HB ARG 98 -1.484 -23.670 6.470 710 HG2 ARG 98 1HG ARG 98 -1.065 -22.079 8.115 711 HG3 ARG 98 2HG ARG 98 -2.705 -21.430 8.034 712 HD2 ARG 98 1HD ARG 98 -3.577 -23.100 9.327 713 HD3 ARG 98 2HD ARG 98 -2.370 -24.277 8.810 714 HE ARG 98 HE ARG 98 -2.170 -22.429 11.021 715 HH11 ARG 98 2HH1 ARG 98 -0.466 -24.520 8.821 716 HH12 ARG 98 1HH1 ARG 98 0.912 -24.703 9.856 717 HH21 ARG 98 2HH2 ARG 98 -0.362 -22.661 12.393 718 HH22 ARG 98 1HH2 ARG 98 0.969 -23.645 11.888 719 H PHE 99 H PHE 99 -4.875 -22.153 5.340 720 HA PHE 99 HA PHE 99 -5.304 -19.419 6.339 721 HB2 PHE 99 1HB PHE 99 -5.646 -19.424 3.914 722 HB3 PHE 99 2HB PHE 99 -6.788 -20.755 4.065 723 HD1 PHE 99 1HD PHE 99 -6.219 -17.233 5.090 724 HD2 PHE 99 2HD PHE 99 -9.050 -20.335 4.397 725 HE1 PHE 99 1HE PHE 99 -8.053 -15.618 5.374 726 HE2 PHE 99 2HE PHE 99 -10.889 -18.725 4.678 727 HZ PHE 99 HZ PHE 99 -10.392 -16.362 5.167 728 H THR 100 H THR 100 -5.744 -20.271 8.401 729 HA THR 100 HA THR 100 -7.274 -22.326 9.220 730 HB THR 100 HB THR 100 -8.017 -20.954 11.159 731 HG1 THR 100 1HG THR 100 -6.968 -18.885 9.533 732 HG21 THR 100 1HG2 THR 100 -5.809 -21.996 11.175 733 HG22 THR 100 2HG2 THR 100 -5.766 -20.436 11.996 734 HG23 THR 100 3HG2 THR 100 -5.127 -20.590 10.360 735 H GLU 101 H GLU 101 -9.425 -22.837 9.488 736 HA GLU 101 HA GLU 101 -11.540 -21.013 8.902 737 HB2 GLU 101 1HB GLU 101 -10.665 -21.572 6.610 738 HB3 GLU 101 2HB GLU 101 -11.124 -23.243 6.907 739 HG2 GLU 101 1HG GLU 101 -13.466 -22.449 7.264 740 HG3 GLU 101 2HG GLU 101 -12.940 -20.854 6.728 741 H GLY 102 H GLY 102 -12.743 -21.615 10.601 742 HA2 GLY 102 1HA GLY 102 -13.368 -24.492 10.873 743 HA3 GLY 102 2HA GLY 102 -13.221 -23.403 12.245 744 H SER 103 H SER 103 -15.201 -23.343 13.113 745 HA SER 103 HA SER 103 -17.527 -23.091 11.355 746 HB2 SER 103 1HB SER 103 -17.316 -23.642 14.324 747 HB3 SER 103 2HB SER 103 -18.837 -23.508 13.440 748 HG SER 103 HG SER 103 -18.512 -25.595 13.232 749 H GLY 104 H GLY 104 -19.338 -21.666 12.408 750 HA2 GLY 104 1HA GLY 104 -18.221 -18.993 12.565 751 HA3 GLY 104 2HA GLY 104 -19.924 -19.408 12.440 752 HA PRO 105 HA PRO 105 -18.873 -18.016 16.795 753 HB2 PRO 105 1HB PRO 105 -20.627 -15.945 16.866 754 HB3 PRO 105 2HB PRO 105 -18.965 -15.777 16.288 755 HG2 PRO 105 1HG PRO 105 -21.493 -16.103 14.718 756 HG3 PRO 105 2HG PRO 105 -20.123 -15.017 14.420 757 HD2 PRO 105 1HD PRO 105 -20.457 -17.344 13.076 758 HD3 PRO 105 2HD PRO 105 -18.854 -16.680 13.451 759 H SER 106 H SER 106 -20.147 -18.376 18.618 760 HA SER 106 HA SER 106 -22.812 -19.515 18.080 761 HB2 SER 106 1HB SER 106 -21.315 -21.274 18.777 762 HB3 SER 106 2HB SER 106 -20.754 -20.317 20.148 763 HG SER 106 HG SER 106 -22.584 -22.041 20.306 764 H SER 107 H SER 107 -20.860 -17.950 20.614 765 HA SER 107 HA SER 107 -22.677 -17.366 22.515 766 HB2 SER 107 1HB SER 107 -20.659 -15.400 21.403 767 HB3 SER 107 2HB SER 107 -21.432 -15.291 22.985 768 HG SER 107 HG SER 107 -20.101 -17.658 22.332 769 H GLY 108 H GLY 108 -22.168 -15.356 19.611 770 HA2 GLY 108 1HA GLY 108 -23.496 -13.731 18.661 771 HA3 GLY 108 2HA GLY 108 -24.782 -14.893 18.950 Start of MODEL 7 1 H1 GLY 1 H GLY 1 20.667 36.852 -6.668 2 HA2 GLY 1 1HA GLY 1 22.754 36.295 -7.788 3 HA3 GLY 1 2HA GLY 1 22.947 35.978 -6.070 4 H SER 2 H SER 2 24.349 34.298 -6.118 5 HA SER 2 HA SER 2 23.624 31.955 -7.738 6 HB2 SER 2 1HB SER 2 26.234 32.964 -6.644 7 HB3 SER 2 2HB SER 2 26.047 31.263 -7.070 8 HG SER 2 HG SER 2 25.464 33.405 -8.834 9 H SER 3 H SER 3 24.639 32.928 -4.487 10 HA SER 3 HA SER 3 23.609 30.356 -3.481 11 HB2 SER 3 1HB SER 3 25.155 30.662 -1.555 12 HB3 SER 3 2HB SER 3 26.003 30.531 -3.095 13 HG SER 3 HG SER 3 25.352 32.981 -1.819 14 H GLY 4 H GLY 4 22.781 30.467 -1.208 15 HA2 GLY 4 1HA GLY 4 21.996 32.082 0.537 16 HA3 GLY 4 2HA GLY 4 21.341 33.017 -0.800 17 H SER 5 H SER 5 19.638 32.389 1.161 18 HA SER 5 HA SER 5 18.292 29.899 0.726 19 HB2 SER 5 1HB SER 5 16.617 30.773 2.293 20 HB3 SER 5 2HB SER 5 18.246 31.031 2.915 21 HG SER 5 HG SER 5 16.360 32.837 2.495 22 H SER 6 H SER 6 17.841 29.913 -1.511 23 HA SER 6 HA SER 6 15.321 31.135 -2.170 24 HB2 SER 6 1HB SER 6 16.012 32.490 -3.990 25 HB3 SER 6 2HB SER 6 17.103 32.900 -2.667 26 HG SER 6 HG SER 6 18.686 31.640 -3.609 27 H GLY 7 H GLY 7 14.237 29.546 -3.112 28 HA2 GLY 7 1HA GLY 7 14.755 28.318 -5.481 29 HA3 GLY 7 2HA GLY 7 15.604 27.313 -4.316 30 HA PRO 8 HA PRO 8 11.300 25.677 -4.677 31 HB2 PRO 8 1HB PRO 8 12.055 23.070 -4.704 32 HB3 PRO 8 2HB PRO 8 11.989 24.066 -6.163 33 HG2 PRO 8 1HG PRO 8 14.350 23.333 -4.475 34 HG3 PRO 8 2HG PRO 8 14.209 23.378 -6.243 35 HD2 PRO 8 1HD PRO 8 15.384 25.363 -4.824 36 HD3 PRO 8 2HD PRO 8 14.498 25.663 -6.333 37 H ALA 9 H ALA 9 10.508 23.591 -3.327 38 HA ALA 9 HA ALA 9 10.960 24.312 -0.571 39 HB1 ALA 9 1HB ALA 9 9.113 22.949 -0.049 40 HB2 ALA 9 2HB ALA 9 8.717 23.708 -1.592 41 HB3 ALA 9 3HB ALA 9 9.264 22.032 -1.549 42 H ARG 10 H ARG 10 11.677 22.905 1.076 43 HA ARG 10 HA ARG 10 13.261 20.610 0.124 44 HB2 ARG 10 1HB ARG 10 14.904 21.111 1.880 45 HB3 ARG 10 2HB ARG 10 14.737 22.448 0.749 46 HG2 ARG 10 1HG ARG 10 13.533 23.746 2.303 47 HG3 ARG 10 2HG ARG 10 13.271 22.363 3.367 48 HD2 ARG 10 1HD ARG 10 15.875 22.305 3.467 49 HD3 ARG 10 2HD ARG 10 15.747 23.977 2.923 50 HE ARG 10 HE ARG 10 14.121 23.317 5.217 51 HH11 ARG 10 2HH1 ARG 10 17.196 24.488 4.080 52 HH12 ARG 10 1HH1 ARG 10 17.578 25.307 5.558 53 HH21 ARG 10 2HH2 ARG 10 14.612 24.392 7.168 54 HH22 ARG 10 1HH2 ARG 10 16.108 25.251 7.314 55 H PHE 11 H PHE 11 13.097 18.730 1.238 56 HA PHE 11 HA PHE 11 10.856 18.276 2.863 57 HB2 PHE 11 1HB PHE 11 13.336 16.655 2.314 58 HB3 PHE 11 2HB PHE 11 12.063 16.071 3.381 59 HD1 PHE 11 1HD PHE 11 9.830 15.576 2.491 60 HD2 PHE 11 2HD PHE 11 13.055 16.695 -0.051 61 HE1 PHE 11 1HE PHE 11 8.588 14.723 0.545 62 HE2 PHE 11 2HE PHE 11 11.819 15.846 -2.000 63 HZ PHE 11 HZ PHE 11 9.582 14.859 -1.704 64 H THR 12 H THR 12 10.535 18.270 5.018 65 HA THR 12 HA THR 12 12.810 19.067 6.711 66 HB THR 12 HB THR 12 11.218 20.092 8.232 67 HG1 THR 12 1HG THR 12 8.950 20.209 7.253 68 HG21 THR 12 1HG2 THR 12 11.152 20.855 5.347 69 HG22 THR 12 2HG2 THR 12 11.861 21.706 6.720 70 HG23 THR 12 3HG2 THR 12 10.113 21.715 6.482 71 H GLN 13 H GLN 13 10.540 16.609 6.091 72 HA GLN 13 HA GLN 13 11.385 15.212 8.530 73 HB2 GLN 13 1HB GLN 13 8.604 15.762 7.609 74 HB3 GLN 13 2HB GLN 13 8.933 14.204 8.356 75 HG2 GLN 13 1HG GLN 13 9.669 15.249 10.372 76 HG3 GLN 13 2HG GLN 13 9.598 16.846 9.629 77 HE21 GLN 13 1HE2 GLN 13 8.309 16.525 11.939 78 HE22 GLN 13 2HE2 GLN 13 6.599 16.477 11.700 79 H ASP 14 H ASP 14 12.634 13.649 7.713 80 HA ASP 14 HA ASP 14 12.729 12.529 5.260 81 HB2 ASP 14 1HB ASP 14 13.486 10.388 6.422 82 HB3 ASP 14 2HB ASP 14 14.366 11.859 6.831 83 H LEU 15 H LEU 15 11.457 11.346 3.989 84 HA LEU 15 HA LEU 15 8.811 10.716 4.686 85 HB2 LEU 15 1HB LEU 15 9.760 11.092 2.376 86 HB3 LEU 15 2HB LEU 15 10.387 9.447 2.459 87 HG LEU 15 HG LEU 15 7.468 9.910 2.875 88 HD11 LEU 15 1HD1 LEU 15 6.968 10.094 0.629 89 HD12 LEU 15 2HD1 LEU 15 8.552 9.512 0.119 90 HD13 LEU 15 3HD1 LEU 15 8.381 11.138 0.780 91 HD21 LEU 15 1HD2 LEU 15 9.078 7.698 1.603 92 HD22 LEU 15 2HD2 LEU 15 7.331 7.699 1.845 93 HD23 LEU 15 3HD2 LEU 15 8.414 7.690 3.237 94 H LYS 16 H LYS 16 7.837 8.897 5.413 95 HA LYS 16 HA LYS 16 9.551 6.556 5.928 96 HB2 LYS 16 1HB LYS 16 7.719 8.045 7.737 97 HB3 LYS 16 2HB LYS 16 7.758 6.294 7.895 98 HG2 LYS 16 1HG LYS 16 10.253 7.962 7.945 99 HG3 LYS 16 2HG LYS 16 9.307 7.623 9.397 100 HD2 LYS 16 1HD LYS 16 10.574 5.582 7.569 101 HD3 LYS 16 2HD LYS 16 11.136 6.035 9.180 102 HE2 LYS 16 1HE LYS 16 8.682 5.366 9.857 103 HE3 LYS 16 2HE LYS 16 8.765 4.420 8.372 104 HZ1 LYS 16 1HZ LYS 16 10.889 3.475 9.285 105 HZ2 LYS 16 2HZ LYS 16 9.480 3.017 10.102 106 HZ3 LYS 16 3HZ LYS 16 10.497 4.196 10.765 107 H THR 17 H THR 17 7.939 4.653 6.645 108 HA THR 17 HA THR 17 5.564 4.607 4.956 109 HB THR 17 HB THR 17 7.245 3.795 3.422 110 HG1 THR 17 1HG THR 17 5.911 2.267 2.831 111 HG21 THR 17 1HG2 THR 17 8.651 2.954 5.545 112 HG22 THR 17 2HG2 THR 17 8.912 2.330 3.916 113 HG23 THR 17 3HG2 THR 17 7.923 1.423 5.060 114 H LYS 18 H LYS 18 4.727 2.115 5.117 115 HA LYS 18 HA LYS 18 4.899 1.324 7.945 116 HB2 LYS 18 1HB LYS 18 2.521 1.012 8.076 117 HB3 LYS 18 2HB LYS 18 2.826 2.648 7.507 118 HG2 LYS 18 1HG LYS 18 1.171 2.037 6.073 119 HG3 LYS 18 2HG LYS 18 2.577 1.509 5.145 120 HD2 LYS 18 1HD LYS 18 1.313 -0.387 5.017 121 HD3 LYS 18 2HD LYS 18 2.181 -0.724 6.517 122 HE2 LYS 18 1HE LYS 18 -0.131 -1.210 6.877 123 HE3 LYS 18 2HE LYS 18 0.259 0.263 7.764 124 HZ1 LYS 18 1HZ LYS 18 -0.584 1.426 5.643 125 HZ2 LYS 18 2HZ LYS 18 -1.715 0.794 6.729 126 HZ3 LYS 18 3HZ LYS 18 -1.341 -0.050 5.311 127 H GLU 19 H GLU 19 3.968 -0.901 8.303 128 HA GLU 19 HA GLU 19 4.731 -2.629 6.047 129 HB2 GLU 19 1HB GLU 19 5.255 -4.344 7.689 130 HB3 GLU 19 2HB GLU 19 6.126 -2.863 8.063 131 HG2 GLU 19 1HG GLU 19 4.021 -2.433 9.597 132 HG3 GLU 19 2HG GLU 19 3.918 -4.191 9.531 133 H ALA 20 H ALA 20 3.001 -3.329 4.980 134 HA ALA 20 HA ALA 20 0.640 -4.161 6.538 135 HB1 ALA 20 1HB ALA 20 0.660 -3.220 3.675 136 HB2 ALA 20 2HB ALA 20 -0.751 -3.583 4.669 137 HB3 ALA 20 3HB ALA 20 0.270 -2.200 5.060 138 H SER 21 H SER 21 -0.696 -5.849 5.367 139 HA SER 21 HA SER 21 1.091 -8.004 4.570 140 HB2 SER 21 1HB SER 21 -0.704 -9.489 5.033 141 HB3 SER 21 2HB SER 21 -0.774 -8.260 6.296 142 HG SER 21 HG SER 21 -2.327 -7.194 4.775 143 H GLU 22 H GLU 22 0.493 -9.420 2.755 144 HA GLU 22 HA GLU 22 0.373 -8.091 0.340 145 HB2 GLU 22 1HB GLU 22 -0.092 -10.911 1.180 146 HB3 GLU 22 2HB GLU 22 -0.564 -10.452 -0.450 147 HG2 GLU 22 1HG GLU 22 1.755 -9.582 -0.785 148 HG3 GLU 22 2HG GLU 22 2.177 -10.293 0.772 149 H GLY 23 H GLY 23 -1.203 -7.423 -1.032 150 HA2 GLY 23 1HA GLY 23 -3.350 -7.173 -1.902 151 HA3 GLY 23 2HA GLY 23 -3.965 -8.199 -0.615 152 H ALA 24 H ALA 24 -2.114 -6.078 0.976 153 HA ALA 24 HA ALA 24 -4.409 -4.461 1.729 154 HB1 ALA 24 1HB ALA 24 -3.277 -3.944 3.680 155 HB2 ALA 24 2HB ALA 24 -2.699 -5.572 3.326 156 HB3 ALA 24 3HB ALA 24 -1.691 -4.177 2.943 157 H THR 25 H THR 25 -3.483 -2.093 2.470 158 HA THR 25 HA THR 25 -2.156 -0.942 0.108 159 HB THR 25 HB THR 25 -4.463 0.381 1.540 160 HG1 THR 25 1HG THR 25 -5.783 -0.444 0.021 161 HG21 THR 25 1HG2 THR 25 -4.334 2.058 -0.036 162 HG22 THR 25 2HG2 THR 25 -3.540 1.026 -1.226 163 HG23 THR 25 3HG2 THR 25 -2.629 1.647 0.150 164 H ALA 26 H ALA 26 -0.240 -0.301 0.888 165 HA ALA 26 HA ALA 26 0.274 0.475 3.542 166 HB1 ALA 26 1HB ALA 26 2.272 1.669 2.090 167 HB2 ALA 26 2HB ALA 26 2.281 0.007 2.679 168 HB3 ALA 26 3HB ALA 26 1.754 0.356 1.033 169 H THR 27 H THR 27 1.576 2.765 3.700 170 HA THR 27 HA THR 27 0.285 4.967 2.419 171 HB THR 27 HB THR 27 -0.286 4.782 5.368 172 HG1 THR 27 1HG THR 27 -2.151 4.143 3.319 173 HG21 THR 27 1HG2 THR 27 -1.463 6.700 5.094 174 HG22 THR 27 2HG2 THR 27 -2.022 6.253 3.482 175 HG23 THR 27 3HG2 THR 27 -0.396 6.898 3.706 176 H LEU 28 H LEU 28 2.049 6.166 2.118 177 HA LEU 28 HA LEU 28 3.983 6.436 4.311 178 HB2 LEU 28 1HB LEU 28 4.274 7.148 1.397 179 HB3 LEU 28 2HB LEU 28 5.539 7.247 2.620 180 HG LEU 28 HG LEU 28 4.953 4.649 2.839 181 HD11 LEU 28 1HD1 LEU 28 3.489 5.427 0.562 182 HD12 LEU 28 2HD1 LEU 28 3.763 3.797 1.177 183 HD13 LEU 28 3HD1 LEU 28 4.868 4.489 -0.010 184 HD21 LEU 28 1HD2 LEU 28 6.748 5.910 0.768 185 HD22 LEU 28 2HD2 LEU 28 6.839 4.230 1.299 186 HD23 LEU 28 3HD2 LEU 28 7.164 5.535 2.441 187 H GLN 29 H GLN 29 4.806 8.506 4.872 188 HA GLN 29 HA GLN 29 3.212 10.799 3.969 189 HB2 GLN 29 1HB GLN 29 3.769 10.032 6.836 190 HB3 GLN 29 2HB GLN 29 3.178 11.615 6.349 191 HG2 GLN 29 1HG GLN 29 1.145 10.676 5.518 192 HG3 GLN 29 2HG GLN 29 1.747 9.037 5.758 193 HE21 GLN 29 1HE2 GLN 29 0.599 8.156 7.323 194 HE22 GLN 29 2HE2 GLN 29 0.237 8.882 8.848 195 H CYS 30 H CYS 30 4.319 12.684 3.749 196 HA CYS 30 HA CYS 30 7.015 12.901 4.842 197 HB2 CYS 30 1HB CYS 30 8.091 13.286 2.775 198 HB3 CYS 30 2HB CYS 30 7.097 11.858 2.512 199 HG CYS 30 HG CYS 30 5.610 12.807 0.620 200 H GLU 31 H GLU 31 7.619 14.966 5.303 201 HA GLU 31 HA GLU 31 5.584 17.029 4.858 202 HB2 GLU 31 1HB GLU 31 6.658 16.350 7.176 203 HB3 GLU 31 2HB GLU 31 7.932 17.444 6.656 204 HG2 GLU 31 1HG GLU 31 6.617 19.291 6.828 205 HG3 GLU 31 2HG GLU 31 5.133 18.404 6.487 206 H LEU 32 H LEU 32 6.382 19.266 4.482 207 HA LEU 32 HA LEU 32 8.917 19.389 3.021 208 HB2 LEU 32 1HB LEU 32 6.260 20.320 1.945 209 HB3 LEU 32 2HB LEU 32 7.823 20.667 1.208 210 HG LEU 32 HG LEU 32 6.890 17.844 1.617 211 HD11 LEU 32 1HD1 LEU 32 5.230 18.166 0.177 212 HD12 LEU 32 2HD1 LEU 32 6.456 18.481 -1.050 213 HD13 LEU 32 3HD1 LEU 32 5.744 19.821 -0.152 214 HD21 LEU 32 1HD2 LEU 32 8.322 17.834 -0.627 215 HD22 LEU 32 2HD2 LEU 32 9.060 17.688 0.969 216 HD23 LEU 32 3HD2 LEU 32 9.043 19.247 0.143 217 H SER 33 H SER 33 9.647 21.606 2.628 218 HA SER 33 HA SER 33 9.376 23.211 4.944 219 HB2 SER 33 1HB SER 33 11.425 23.128 3.530 220 HB3 SER 33 2HB SER 33 10.551 23.994 2.266 221 HG SER 33 HG SER 33 11.067 24.937 4.895 222 H LYS 34 H LYS 34 7.810 23.205 1.834 223 HA LYS 34 HA LYS 34 5.764 24.970 2.756 224 HB2 LYS 34 1HB LYS 34 6.107 26.708 1.004 225 HB3 LYS 34 2HB LYS 34 7.363 26.693 2.235 226 HG2 LYS 34 1HG LYS 34 8.941 25.775 0.785 227 HG3 LYS 34 2HG LYS 34 7.710 25.233 -0.358 228 HD2 LYS 34 1HD LYS 34 7.180 27.767 -0.587 229 HD3 LYS 34 2HD LYS 34 8.790 27.987 0.102 230 HE2 LYS 34 1HE LYS 34 8.421 26.120 -2.197 231 HE3 LYS 34 2HE LYS 34 8.452 27.857 -2.493 232 HZ1 LYS 34 1HZ LYS 34 10.583 26.266 -1.172 233 HZ2 LYS 34 2HZ LYS 34 10.609 27.946 -1.364 234 HZ3 LYS 34 3HZ LYS 34 10.651 26.939 -2.723 235 H VAL 35 H VAL 35 4.102 25.353 1.058 236 HA VAL 35 HA VAL 35 3.356 22.981 -0.197 237 HB VAL 35 HB VAL 35 2.474 25.811 -0.767 238 HG11 VAL 35 1HG1 VAL 35 1.195 23.232 -1.668 239 HG12 VAL 35 2HG1 VAL 35 0.567 24.860 -1.932 240 HG13 VAL 35 3HG1 VAL 35 2.070 24.357 -2.707 241 HG21 VAL 35 1HG2 VAL 35 0.842 25.528 0.802 242 HG22 VAL 35 2HG2 VAL 35 0.774 23.780 0.580 243 HG23 VAL 35 3HG2 VAL 35 2.093 24.501 1.502 244 H ALA 36 H ALA 36 4.322 21.991 -1.834 245 HA ALA 36 HA ALA 36 4.908 23.448 -4.268 246 HB1 ALA 36 1HB ALA 36 7.108 23.599 -4.047 247 HB2 ALA 36 2HB ALA 36 6.976 22.949 -2.412 248 HB3 ALA 36 3HB ALA 36 7.223 21.859 -3.777 249 HA PRO 37 HA PRO 37 3.600 19.659 -6.074 250 HB2 PRO 37 1HB PRO 37 4.767 19.875 -8.516 251 HB3 PRO 37 2HB PRO 37 3.364 20.836 -8.033 252 HG2 PRO 37 1HG PRO 37 6.259 21.599 -8.077 253 HG3 PRO 37 2HG PRO 37 4.847 22.537 -8.597 254 HD2 PRO 37 1HD PRO 37 6.061 22.934 -6.210 255 HD3 PRO 37 2HD PRO 37 4.317 23.169 -6.444 256 H VAL 38 H VAL 38 4.336 17.686 -5.634 257 HA VAL 38 HA VAL 38 7.216 17.146 -5.950 258 HB VAL 38 HB VAL 38 7.106 15.543 -4.218 259 HG11 VAL 38 1HG1 VAL 38 6.766 18.120 -3.699 260 HG12 VAL 38 2HG1 VAL 38 5.254 17.525 -3.011 261 HG13 VAL 38 3HG1 VAL 38 6.797 16.907 -2.419 262 HG21 VAL 38 1HG2 VAL 38 4.106 15.858 -4.242 263 HG22 VAL 38 2HG2 VAL 38 5.002 14.481 -4.883 264 HG23 VAL 38 3HG2 VAL 38 5.032 14.824 -3.153 265 H GLU 39 H GLU 39 7.464 14.561 -6.068 266 HA GLU 39 HA GLU 39 5.500 13.315 -7.780 267 HB2 GLU 39 1HB GLU 39 6.660 14.556 -9.468 268 HB3 GLU 39 2HB GLU 39 8.225 14.090 -8.817 269 HG2 GLU 39 1HG GLU 39 7.516 11.689 -9.358 270 HG3 GLU 39 2HG GLU 39 6.263 12.431 -10.350 271 H TRP 40 H TRP 40 5.353 11.315 -7.038 272 HA TRP 40 HA TRP 40 7.460 10.132 -5.481 273 HB2 TRP 40 1HB TRP 40 4.851 8.925 -6.429 274 HB3 TRP 40 2HB TRP 40 5.912 8.258 -5.191 275 HD1 TRP 40 HD TRP 40 3.768 11.437 -5.779 276 HE1 TRP 40 1HE TRP 40 2.910 12.246 -3.491 277 HE3 TRP 40 3HE TRP 40 6.163 8.064 -2.774 278 HZ2 TRP 40 2HZ TRP 40 3.209 11.548 -0.773 279 HZ3 TRP 40 3HZ TRP 40 5.824 8.204 -0.341 280 HH2 TRP 40 HH TRP 40 4.378 9.911 0.637 281 H LYS 41 H LYS 41 8.570 8.196 -5.941 282 HA LYS 41 HA LYS 41 8.439 7.182 -8.678 283 HB2 LYS 41 1HB LYS 41 10.764 8.587 -7.448 284 HB3 LYS 41 2HB LYS 41 11.088 7.212 -8.495 285 HG2 LYS 41 1HG LYS 41 9.424 8.507 -10.095 286 HG3 LYS 41 2HG LYS 41 9.993 9.887 -9.153 287 HD2 LYS 41 1HD LYS 41 12.351 8.969 -9.639 288 HD3 LYS 41 2HD LYS 41 11.562 8.016 -10.898 289 HE2 LYS 41 1HE LYS 41 12.271 9.950 -12.001 290 HE3 LYS 41 2HE LYS 41 10.561 10.237 -11.686 291 HZ1 LYS 41 1HZ LYS 41 11.619 12.204 -11.075 292 HZ2 LYS 41 2HZ LYS 41 12.900 11.408 -10.311 293 HZ3 LYS 41 3HZ LYS 41 11.365 11.416 -9.600 294 H LYS 42 H LYS 42 9.403 5.102 -8.949 295 HA LYS 42 HA LYS 42 9.898 3.678 -6.417 296 HB2 LYS 42 1HB LYS 42 7.735 3.005 -7.221 297 HB3 LYS 42 2HB LYS 42 8.360 2.750 -8.845 298 HG2 LYS 42 1HG LYS 42 9.430 0.781 -8.265 299 HG3 LYS 42 2HG LYS 42 9.449 1.181 -6.546 300 HD2 LYS 42 1HD LYS 42 7.098 0.783 -6.358 301 HD3 LYS 42 2HD LYS 42 6.931 0.624 -8.108 302 HE2 LYS 42 1HE LYS 42 8.136 -1.423 -8.120 303 HE3 LYS 42 2HE LYS 42 8.652 -1.205 -6.449 304 HZ1 LYS 42 1HZ LYS 42 6.593 -1.770 -5.644 305 HZ2 LYS 42 2HZ LYS 42 6.693 -2.782 -6.995 306 HZ3 LYS 42 3HZ LYS 42 5.782 -1.358 -7.071 307 H GLY 43 H GLY 43 11.546 4.876 -8.784 308 HA2 GLY 43 1HA GLY 43 13.857 3.584 -8.640 309 HA3 GLY 43 2HA GLY 43 12.960 2.485 -9.677 310 HA PRO 44 HA PRO 44 15.019 5.214 -12.653 311 HB2 PRO 44 1HB PRO 44 14.909 3.421 -14.688 312 HB3 PRO 44 2HB PRO 44 16.156 3.377 -13.436 313 HG2 PRO 44 1HG PRO 44 13.647 1.760 -13.669 314 HG3 PRO 44 2HG PRO 44 15.277 1.236 -13.208 315 HD2 PRO 44 1HD PRO 44 13.328 1.701 -11.387 316 HD3 PRO 44 2HD PRO 44 15.045 1.992 -11.043 317 H GLU 45 H GLU 45 11.899 4.257 -12.225 318 HA GLU 45 HA GLU 45 11.004 5.553 -14.717 319 HB2 GLU 45 1HB GLU 45 9.957 3.219 -13.200 320 HB3 GLU 45 2HB GLU 45 8.780 4.283 -13.956 321 HG2 GLU 45 1HG GLU 45 9.463 3.757 -16.084 322 HG3 GLU 45 2HG GLU 45 11.077 3.280 -15.563 323 H THR 46 H THR 46 8.838 6.643 -14.490 324 HA THR 46 HA THR 46 8.762 8.110 -11.938 325 HB THR 46 HB THR 46 7.519 9.119 -14.481 326 HG1 THR 46 1HG THR 46 9.771 8.657 -14.860 327 HG21 THR 46 1HG2 THR 46 8.169 11.315 -13.347 328 HG22 THR 46 2HG2 THR 46 8.481 10.344 -11.908 329 HG23 THR 46 3HG2 THR 46 6.864 10.388 -12.609 330 H LEU 47 H LEU 47 6.870 8.325 -10.826 331 HA LEU 47 HA LEU 47 4.564 6.820 -11.874 332 HB2 LEU 47 1HB LEU 47 5.353 7.321 -9.008 333 HB3 LEU 47 2HB LEU 47 3.928 6.431 -9.540 334 HG LEU 47 HG LEU 47 6.594 5.467 -10.440 335 HD11 LEU 47 1HD1 LEU 47 7.328 5.498 -8.307 336 HD12 LEU 47 2HD1 LEU 47 6.330 4.051 -8.177 337 HD13 LEU 47 3HD1 LEU 47 5.703 5.606 -7.631 338 HD21 LEU 47 1HD2 LEU 47 3.901 4.557 -10.424 339 HD22 LEU 47 2HD2 LEU 47 4.866 3.459 -9.437 340 HD23 LEU 47 3HD2 LEU 47 5.326 3.777 -11.110 341 H ARG 48 H ARG 48 2.435 7.588 -11.221 342 HA ARG 48 HA ARG 48 2.233 10.325 -10.283 343 HB2 ARG 48 1HB ARG 48 1.191 9.544 -13.013 344 HB3 ARG 48 2HB ARG 48 0.962 11.100 -12.225 345 HG2 ARG 48 1HG ARG 48 3.679 9.996 -12.871 346 HG3 ARG 48 2HG ARG 48 2.752 10.987 -13.999 347 HD2 ARG 48 1HD ARG 48 3.627 11.787 -11.225 348 HD3 ARG 48 2HD ARG 48 4.338 12.344 -12.739 349 HE ARG 48 HE ARG 48 1.690 13.000 -12.929 350 HH11 ARG 48 2HH1 ARG 48 4.256 13.679 -10.676 351 HH12 ARG 48 1HH1 ARG 48 3.620 15.223 -10.216 352 HH21 ARG 48 2HH2 ARG 48 0.843 15.032 -12.332 353 HH22 ARG 48 1HH2 ARG 48 1.678 15.991 -11.158 354 H ASP 49 H ASP 49 0.318 10.744 -9.288 355 HA ASP 49 HA ASP 49 -1.253 8.718 -8.303 356 HB2 ASP 49 1HB ASP 49 -1.496 10.734 -7.176 357 HB3 ASP 49 2HB ASP 49 -1.714 11.655 -8.662 358 H GLY 50 H GLY 50 -2.464 7.283 -9.340 359 HA2 GLY 50 1HA GLY 50 -4.738 7.799 -10.779 360 HA3 GLY 50 2HA GLY 50 -3.462 7.754 -11.986 361 H GLY 51 H GLY 51 -1.965 5.765 -11.732 362 HA2 GLY 51 1HA GLY 51 -3.523 3.465 -12.177 363 HA3 GLY 51 2HA GLY 51 -1.780 3.489 -11.950 364 H ARG 52 H ARG 52 -1.271 2.021 -10.469 365 HA ARG 52 HA ARG 52 -3.081 1.393 -8.302 366 HB2 ARG 52 1HB ARG 52 -0.382 0.307 -9.105 367 HB3 ARG 52 2HB ARG 52 -1.250 -0.239 -7.676 368 HG2 ARG 52 1HG ARG 52 -2.446 -0.340 -10.428 369 HG3 ARG 52 2HG ARG 52 -1.482 -1.655 -9.753 370 HD2 ARG 52 1HD ARG 52 -3.634 -2.300 -9.211 371 HD3 ARG 52 2HD ARG 52 -3.113 -1.475 -7.743 372 HE ARG 52 HE ARG 52 -4.405 0.323 -9.516 373 HH11 ARG 52 2HH1 ARG 52 -5.024 -2.246 -7.251 374 HH12 ARG 52 1HH1 ARG 52 -6.617 -1.691 -6.856 375 HH21 ARG 52 2HH2 ARG 52 -6.501 1.065 -9.005 376 HH22 ARG 52 1HH2 ARG 52 -7.456 0.192 -7.855 377 H TYR 53 H TYR 53 -2.085 4.054 -8.262 378 HA TYR 53 HA TYR 53 -0.852 4.035 -5.621 379 HB2 TYR 53 1HB TYR 53 0.298 5.632 -7.919 380 HB3 TYR 53 2HB TYR 53 0.848 5.682 -6.248 381 HD1 TYR 53 1HD TYR 53 1.456 3.253 -5.275 382 HD2 TYR 53 2HD TYR 53 1.520 4.345 -9.387 383 HE1 TYR 53 1HE TYR 53 3.026 1.415 -5.733 384 HE2 TYR 53 2HE TYR 53 3.088 2.510 -9.856 385 HH TYR 53 HH TYR 53 3.995 0.603 -9.016 386 H SER 54 H SER 54 -1.987 5.332 -4.355 387 HA SER 54 HA SER 54 -3.520 7.521 -5.587 388 HB2 SER 54 1HB SER 54 -4.031 5.710 -3.271 389 HB3 SER 54 2HB SER 54 -4.685 7.346 -3.202 390 HG SER 54 HG SER 54 -5.120 5.455 -5.275 391 H LEU 55 H LEU 55 -2.078 9.194 -5.540 392 HA LEU 55 HA LEU 55 -0.730 9.835 -3.029 393 HB2 LEU 55 1HB LEU 55 -0.475 11.444 -5.534 394 HB3 LEU 55 2HB LEU 55 0.698 11.198 -4.242 395 HG LEU 55 HG LEU 55 -0.064 8.865 -5.930 396 HD11 LEU 55 1HD1 LEU 55 0.487 11.030 -7.318 397 HD12 LEU 55 2HD1 LEU 55 1.164 9.464 -7.762 398 HD13 LEU 55 3HD1 LEU 55 2.143 10.626 -6.867 399 HD21 LEU 55 1HD2 LEU 55 2.717 9.169 -5.456 400 HD22 LEU 55 2HD2 LEU 55 1.613 7.964 -4.795 401 HD23 LEU 55 3HD2 LEU 55 1.866 9.489 -3.945 402 H LYS 56 H LYS 56 -1.522 11.274 -1.655 403 HA LYS 56 HA LYS 56 -3.451 13.264 -2.659 404 HB2 LYS 56 1HB LYS 56 -4.568 11.600 -1.265 405 HB3 LYS 56 2HB LYS 56 -3.410 11.879 0.029 406 HG2 LYS 56 1HG LYS 56 -4.226 14.146 0.307 407 HG3 LYS 56 2HG LYS 56 -5.346 13.925 -1.040 408 HD2 LYS 56 1HD LYS 56 -5.457 11.993 1.222 409 HD3 LYS 56 2HD LYS 56 -6.116 13.611 1.471 410 HE2 LYS 56 1HE LYS 56 -6.871 12.037 -0.958 411 HE3 LYS 56 2HE LYS 56 -7.653 11.705 0.587 412 HZ1 LYS 56 1HZ LYS 56 -8.874 13.540 0.421 413 HZ2 LYS 56 2HZ LYS 56 -8.390 13.623 -1.197 414 HZ3 LYS 56 3HZ LYS 56 -7.553 14.501 -0.018 415 H GLN 57 H GLN 57 -2.783 15.292 -2.484 416 HA GLN 57 HA GLN 57 -0.576 15.906 -0.658 417 HB2 GLN 57 1HB GLN 57 -0.135 16.569 -2.912 418 HB3 GLN 57 2HB GLN 57 -1.700 17.360 -3.051 419 HG2 GLN 57 1HG GLN 57 -1.035 19.199 -1.866 420 HG3 GLN 57 2HG GLN 57 0.199 18.313 -0.972 421 HE21 GLN 57 1HE2 GLN 57 2.130 19.060 -1.436 422 HE22 GLN 57 2HE2 GLN 57 2.697 19.527 -2.999 423 H ASP 58 H ASP 58 -0.799 17.209 1.060 424 HA ASP 58 HA ASP 58 -3.303 18.725 1.348 425 HB2 ASP 58 1HB ASP 58 -2.034 16.824 3.299 426 HB3 ASP 58 2HB ASP 58 -3.054 18.143 3.866 427 H GLY 59 H GLY 59 -1.684 20.353 0.483 428 HA2 GLY 59 1HA GLY 59 -0.687 22.379 0.999 429 HA3 GLY 59 2HA GLY 59 -0.768 21.946 2.700 430 H THR 60 H THR 60 1.059 21.380 3.702 431 HA THR 60 HA THR 60 3.478 21.131 2.064 432 HB THR 60 HB THR 60 4.643 21.406 4.326 433 HG1 THR 60 1HG THR 60 3.139 21.156 5.857 434 HG21 THR 60 1HG2 THR 60 4.445 23.198 2.633 435 HG22 THR 60 2HG2 THR 60 4.414 23.821 4.283 436 HG23 THR 60 3HG2 THR 60 2.916 23.688 3.362 437 H ARG 61 H ARG 61 1.533 18.942 2.488 438 HA ARG 61 HA ARG 61 3.458 16.939 3.374 439 HB2 ARG 61 1HB ARG 61 0.743 17.368 4.597 440 HB3 ARG 61 2HB ARG 61 1.512 15.787 4.617 441 HG2 ARG 61 1HG ARG 61 3.267 16.533 5.979 442 HG3 ARG 61 2HG ARG 61 2.893 18.230 5.672 443 HD2 ARG 61 1HD ARG 61 1.141 18.253 7.145 444 HD3 ARG 61 2HD ARG 61 0.801 16.536 6.933 445 HE ARG 61 HE ARG 61 2.599 17.729 8.837 446 HH11 ARG 61 2HH1 ARG 61 1.791 14.842 7.066 447 HH12 ARG 61 1HH1 ARG 61 2.551 13.776 8.202 448 HH21 ARG 61 2HH2 ARG 61 3.603 16.336 10.338 449 HH22 ARG 61 1HH2 ARG 61 3.580 14.627 10.063 450 H CYS 62 H CYS 62 2.953 14.789 2.645 451 HA CYS 62 HA CYS 62 0.847 14.594 0.621 452 HB2 CYS 62 1HB CYS 62 3.758 13.923 0.151 453 HB3 CYS 62 2HB CYS 62 2.448 13.480 -0.937 454 HG CYS 62 HG CYS 62 3.641 16.605 -0.266 455 H GLU 63 H GLU 63 -0.081 12.602 0.450 456 HA GLU 63 HA GLU 63 1.041 10.470 2.148 457 HB2 GLU 63 1HB GLU 63 -0.894 11.230 3.281 458 HB3 GLU 63 2HB GLU 63 -1.816 11.349 1.789 459 HG2 GLU 63 1HG GLU 63 -1.645 8.855 1.598 460 HG3 GLU 63 2HG GLU 63 -0.965 8.851 3.224 461 H LEU 64 H LEU 64 1.814 8.932 0.864 462 HA LEU 64 HA LEU 64 0.580 8.424 -1.727 463 HB2 LEU 64 1HB LEU 64 2.847 8.448 -2.025 464 HB3 LEU 64 2HB LEU 64 3.172 7.758 -0.436 465 HG LEU 64 HG LEU 64 2.543 5.549 -1.249 466 HD11 LEU 64 1HD1 LEU 64 1.448 5.164 -3.153 467 HD12 LEU 64 2HD1 LEU 64 2.495 6.241 -4.077 468 HD13 LEU 64 3HD1 LEU 64 1.128 6.899 -3.177 469 HD21 LEU 64 1HD2 LEU 64 4.516 5.118 -2.342 470 HD22 LEU 64 2HD2 LEU 64 4.873 6.688 -1.620 471 HD23 LEU 64 3HD2 LEU 64 4.421 6.582 -3.322 472 H GLN 65 H GLN 65 -0.509 6.601 -2.264 473 HA GLN 65 HA GLN 65 -0.762 4.510 -0.208 474 HB2 GLN 65 1HB GLN 65 -2.883 6.020 -1.659 475 HB3 GLN 65 2HB GLN 65 -3.172 4.321 -1.307 476 HG2 GLN 65 1HG GLN 65 -3.220 4.657 0.965 477 HG3 GLN 65 2HG GLN 65 -2.257 6.131 0.875 478 HE21 GLN 65 1HE2 GLN 65 -5.117 5.168 1.784 479 HE22 GLN 65 2HE2 GLN 65 -6.111 6.494 1.294 480 H ILE 66 H ILE 66 -0.681 2.437 -0.904 481 HA ILE 66 HA ILE 66 -0.545 1.996 -3.815 482 HB ILE 66 HB ILE 66 1.012 0.327 -1.865 483 HG12 ILE 66 1HG1 ILE 66 2.117 2.733 -3.318 484 HG13 ILE 66 2HG1 ILE 66 1.599 2.781 -1.637 485 HG21 ILE 66 1HG2 ILE 66 1.057 -0.768 -3.869 486 HG22 ILE 66 2HG2 ILE 66 0.909 0.716 -4.809 487 HG23 ILE 66 3HG2 ILE 66 2.455 0.287 -4.076 488 HD11 ILE 66 1HD1 ILE 66 3.958 2.504 -1.680 489 HD12 ILE 66 2HD1 ILE 66 3.247 0.975 -1.160 490 HD13 ILE 66 3HD1 ILE 66 3.836 1.157 -2.813 491 H HIS 67 H HIS 67 -2.615 1.228 -4.056 492 HA HIS 67 HA HIS 67 -3.783 -0.702 -2.314 493 HB2 HIS 67 1HB HIS 67 -4.556 0.115 -5.123 494 HB3 HIS 67 2HB HIS 67 -5.546 -0.862 -4.042 495 HD1 HIS 67 1HD HIS 67 -6.479 0.377 -1.886 496 HD2 HIS 67 2HD HIS 67 -4.750 2.830 -4.759 497 HE1 HIS 67 1HE HIS 67 -7.239 2.708 -1.326 498 HE2 HIS 67 2HE HIS 67 -6.249 4.164 -3.127 499 H ASP 68 H ASP 68 -4.324 -2.890 -2.820 500 HA ASP 68 HA ASP 68 -3.806 -5.016 -3.446 501 HB2 ASP 68 1HB ASP 68 -3.083 -3.587 -6.010 502 HB3 ASP 68 2HB ASP 68 -3.150 -5.339 -5.848 503 H LEU 69 H LEU 69 -1.966 -4.131 -1.800 504 HA LEU 69 HA LEU 69 0.669 -3.889 -2.677 505 HB2 LEU 69 1HB LEU 69 -0.647 -4.656 -0.131 506 HB3 LEU 69 2HB LEU 69 1.069 -5.018 -0.301 507 HG LEU 69 HG LEU 69 -0.183 -2.281 -0.532 508 HD11 LEU 69 1HD1 LEU 69 0.998 -1.840 1.580 509 HD12 LEU 69 2HD1 LEU 69 1.461 -3.540 1.660 510 HD13 LEU 69 3HD1 LEU 69 -0.241 -3.085 1.749 511 HD21 LEU 69 1HD2 LEU 69 2.636 -3.281 -0.804 512 HD22 LEU 69 2HD2 LEU 69 2.276 -1.612 -0.359 513 HD23 LEU 69 3HD2 LEU 69 1.716 -2.253 -1.904 514 H SER 70 H SER 70 2.439 -5.482 -2.305 515 HA SER 70 HA SER 70 1.804 -8.279 -2.371 516 HB2 SER 70 1HB SER 70 2.427 -6.803 -4.887 517 HB3 SER 70 2HB SER 70 3.126 -8.409 -4.678 518 HG SER 70 HG SER 70 0.779 -8.907 -4.043 519 H VAL 71 H VAL 71 3.745 -9.630 -2.483 520 HA VAL 71 HA VAL 71 5.810 -8.656 -0.852 521 HB VAL 71 HB VAL 71 7.041 -10.769 -1.716 522 HG11 VAL 71 1HG1 VAL 71 5.988 -12.045 -0.092 523 HG12 VAL 71 2HG1 VAL 71 5.606 -10.396 0.408 524 HG13 VAL 71 3HG1 VAL 71 4.400 -11.363 -0.442 525 HG21 VAL 71 1HG2 VAL 71 5.242 -10.725 -3.695 526 HG22 VAL 71 2HG2 VAL 71 5.994 -12.212 -3.117 527 HG23 VAL 71 3HG2 VAL 71 4.384 -11.762 -2.555 528 H ALA 72 H ALA 72 5.461 -8.812 -4.327 529 HA ALA 72 HA ALA 72 8.214 -8.247 -4.899 530 HB1 ALA 72 1HB ALA 72 7.664 -8.476 -7.097 531 HB2 ALA 72 2HB ALA 72 6.309 -9.347 -6.377 532 HB3 ALA 72 3HB ALA 72 6.103 -7.677 -6.906 533 H ASP 73 H ASP 73 5.365 -6.376 -4.252 534 HA ASP 73 HA ASP 73 6.293 -3.929 -5.388 535 HB2 ASP 73 1HB ASP 73 4.054 -4.711 -3.563 536 HB3 ASP 73 2HB ASP 73 4.473 -3.008 -3.726 537 H ALA 74 H ALA 74 6.963 -5.618 -2.492 538 HA ALA 74 HA ALA 74 7.614 -3.443 -0.802 539 HB1 ALA 74 1HB ALA 74 9.225 -5.716 -0.184 540 HB2 ALA 74 2HB ALA 74 7.818 -5.085 0.674 541 HB3 ALA 74 3HB ALA 74 7.605 -6.259 -0.624 542 H GLY 75 H GLY 75 8.988 -1.932 -1.584 543 HA2 GLY 75 1HA GLY 75 11.747 -2.778 -2.041 544 HA3 GLY 75 2HA GLY 75 10.955 -1.909 -3.347 545 H GLU 76 H GLU 76 11.857 0.050 -3.388 546 HA GLU 76 HA GLU 76 11.791 1.623 -0.906 547 HB2 GLU 76 1HB GLU 76 14.090 1.011 -1.142 548 HB3 GLU 76 2HB GLU 76 14.081 1.397 -2.857 549 HG2 GLU 76 1HG GLU 76 13.830 3.751 -2.360 550 HG3 GLU 76 2HG GLU 76 13.740 3.397 -0.635 551 H TYR 77 H TYR 77 10.381 3.203 -1.242 552 HA TYR 77 HA TYR 77 10.089 4.328 -3.931 553 HB2 TYR 77 1HB TYR 77 8.341 4.606 -1.478 554 HB3 TYR 77 2HB TYR 77 8.004 5.335 -3.044 555 HD1 TYR 77 1HD TYR 77 8.562 2.032 -1.413 556 HD2 TYR 77 2HD TYR 77 6.768 4.159 -4.631 557 HE1 TYR 77 1HE TYR 77 7.391 -0.017 -2.106 558 HE2 TYR 77 2HE TYR 77 5.590 2.117 -5.333 559 HH TYR 77 HH TYR 77 4.818 -0.051 -4.181 560 H SER 78 H SER 78 10.990 6.206 -4.420 561 HA SER 78 HA SER 78 11.841 7.972 -2.226 562 HB2 SER 78 1HB SER 78 12.871 8.185 -5.041 563 HB3 SER 78 2HB SER 78 13.644 8.683 -3.536 564 HG SER 78 HG SER 78 13.093 5.974 -4.142 565 H CYS 79 H CYS 79 11.375 10.156 -2.272 566 HA CYS 79 HA CYS 79 9.422 11.001 -4.310 567 HB2 CYS 79 1HB CYS 79 8.656 10.644 -1.842 568 HB3 CYS 79 2HB CYS 79 9.481 12.169 -1.546 569 HG CYS 79 HG CYS 79 7.661 12.756 -4.120 570 H MET 80 H MET 80 10.262 12.474 -5.617 571 HA MET 80 HA MET 80 12.424 14.193 -4.658 572 HB2 MET 80 1HB MET 80 11.382 13.996 -7.480 573 HB3 MET 80 2HB MET 80 12.933 14.628 -6.944 574 HG2 MET 80 1HG MET 80 13.322 12.226 -6.058 575 HG3 MET 80 2HG MET 80 12.022 11.796 -7.168 576 HE1 MET 80 1HE MET 80 15.116 10.490 -7.683 577 HE2 MET 80 2HE MET 80 13.466 10.162 -8.214 578 HE3 MET 80 3HE MET 80 14.726 10.493 -9.404 579 H CYS 81 H CYS 81 12.139 16.280 -4.203 580 HA CYS 81 HA CYS 81 9.763 17.648 -5.262 581 HB2 CYS 81 1HB CYS 81 9.127 17.109 -3.033 582 HB3 CYS 81 2HB CYS 81 10.704 17.562 -2.397 583 HG CYS 81 HG CYS 81 8.056 19.347 -2.420 584 H GLY 82 H GLY 82 10.840 18.912 -6.713 585 HA2 GLY 82 1HA GLY 82 11.977 20.790 -7.406 586 HA3 GLY 82 2HA GLY 82 12.188 21.214 -5.714 587 H GLN 83 H GLN 83 13.993 20.344 -4.564 588 HA GLN 83 HA GLN 83 16.158 19.401 -6.325 589 HB2 GLN 83 1HB GLN 83 16.386 21.790 -5.556 590 HB3 GLN 83 2HB GLN 83 16.516 21.179 -3.912 591 HG2 GLN 83 1HG GLN 83 18.705 21.643 -4.811 592 HG3 GLN 83 2HG GLN 83 18.510 19.911 -4.546 593 HE21 GLN 83 1HE2 GLN 83 18.308 18.537 -6.327 594 HE22 GLN 83 2HE2 GLN 83 18.791 19.024 -7.912 595 H GLU 84 H GLU 84 14.904 19.457 -3.010 596 HA GLU 84 HA GLU 84 16.689 17.436 -2.068 597 HB2 GLU 84 1HB GLU 84 14.219 18.738 -0.962 598 HB3 GLU 84 2HB GLU 84 14.943 17.355 -0.153 599 HG2 GLU 84 1HG GLU 84 15.592 19.709 0.622 600 HG3 GLU 84 2HG GLU 84 16.869 18.515 0.394 601 H ARG 85 H ARG 85 15.838 15.374 -1.095 602 HA ARG 85 HA ARG 85 13.480 14.227 -2.283 603 HB2 ARG 85 1HB ARG 85 14.938 13.921 -4.162 604 HB3 ARG 85 2HB ARG 85 16.228 13.314 -3.132 605 HG2 ARG 85 1HG ARG 85 14.748 11.376 -2.570 606 HG3 ARG 85 2HG ARG 85 13.634 11.956 -3.810 607 HD2 ARG 85 1HD ARG 85 15.026 10.256 -4.771 608 HD3 ARG 85 2HD ARG 85 15.486 11.813 -5.459 609 HE ARG 85 HE ARG 85 17.117 11.297 -3.242 610 HH11 ARG 85 2HH1 ARG 85 16.541 10.103 -6.460 611 HH12 ARG 85 1HH1 ARG 85 18.163 9.539 -6.683 612 HH21 ARG 85 2HH2 ARG 85 19.257 10.558 -3.522 613 HH22 ARG 85 1HH2 ARG 85 19.708 9.797 -5.010 614 H THR 86 H THR 86 12.949 12.159 -1.408 615 HA THR 86 HA THR 86 14.598 11.268 0.850 616 HB THR 86 HB THR 86 13.009 12.563 2.006 617 HG1 THR 86 1HG THR 86 12.997 10.681 3.090 618 HG21 THR 86 1HG2 THR 86 11.501 12.675 -0.106 619 HG22 THR 86 2HG2 THR 86 10.757 12.812 1.487 620 HG23 THR 86 3HG2 THR 86 10.687 11.284 0.609 621 H SER 87 H SER 87 14.051 9.096 1.604 622 HA SER 87 HA SER 87 12.588 7.470 -0.352 623 HB2 SER 87 1HB SER 87 14.374 5.782 -0.347 624 HB3 SER 87 2HB SER 87 14.973 7.330 -0.943 625 HG SER 87 HG SER 87 15.502 7.560 1.490 626 H ALA 88 H ALA 88 11.789 5.480 0.456 627 HA ALA 88 HA ALA 88 12.101 4.897 3.283 628 HB1 ALA 88 1HB ALA 88 9.321 5.350 2.234 629 HB2 ALA 88 2HB ALA 88 9.844 5.136 3.906 630 HB3 ALA 88 3HB ALA 88 10.248 6.617 3.037 631 H THR 89 H THR 89 12.399 2.781 3.393 632 HA THR 89 HA THR 89 11.666 1.033 1.242 633 HB THR 89 HB THR 89 12.818 0.401 3.966 634 HG1 THR 89 1HG THR 89 14.744 0.578 2.994 635 HG21 THR 89 1HG2 THR 89 13.544 -1.713 2.619 636 HG22 THR 89 2HG2 THR 89 12.165 -1.306 1.597 637 HG23 THR 89 3HG2 THR 89 11.925 -1.633 3.313 638 H LEU 90 H LEU 90 9.649 0.348 0.966 639 HA LEU 90 HA LEU 90 7.749 0.263 3.114 640 HB2 LEU 90 1HB LEU 90 6.842 0.872 1.052 641 HB3 LEU 90 2HB LEU 90 7.675 -0.428 0.201 642 HG LEU 90 HG LEU 90 6.106 -1.941 1.693 643 HD11 LEU 90 1HD1 LEU 90 3.829 -0.534 1.536 644 HD12 LEU 90 2HD1 LEU 90 4.959 0.768 1.909 645 HD13 LEU 90 3HD1 LEU 90 4.821 -0.618 2.992 646 HD21 LEU 90 1HD2 LEU 90 4.444 -1.881 -0.153 647 HD22 LEU 90 2HD2 LEU 90 6.114 -2.006 -0.706 648 HD23 LEU 90 3HD2 LEU 90 5.269 -0.460 -0.796 649 H THR 91 H THR 91 6.958 -1.473 4.198 650 HA THR 91 HA THR 91 8.351 -4.026 3.762 651 HB THR 91 HB THR 91 6.921 -3.030 6.234 652 HG1 THR 91 1HG THR 91 8.908 -1.981 5.920 653 HG21 THR 91 1HG2 THR 91 8.568 -5.135 6.940 654 HG22 THR 91 2HG2 THR 91 7.845 -5.668 5.423 655 HG23 THR 91 3HG2 THR 91 6.814 -5.200 6.774 656 H VAL 92 H VAL 92 7.254 -5.821 3.229 657 HA VAL 92 HA VAL 92 4.312 -5.744 3.358 658 HB VAL 92 HB VAL 92 5.877 -7.020 1.115 659 HG11 VAL 92 1HG1 VAL 92 3.866 -7.562 0.148 660 HG12 VAL 92 2HG1 VAL 92 3.466 -7.739 1.857 661 HG13 VAL 92 3HG1 VAL 92 2.993 -6.280 0.987 662 HG21 VAL 92 1HG2 VAL 92 5.813 -5.127 -0.100 663 HG22 VAL 92 2HG2 VAL 92 4.238 -4.650 0.533 664 HG23 VAL 92 3HG2 VAL 92 5.697 -4.339 1.473 665 H ARG 93 H ARG 93 3.658 -7.245 4.741 666 HA ARG 93 HA ARG 93 5.297 -9.558 5.323 667 HB2 ARG 93 1HB ARG 93 2.744 -8.448 6.457 668 HB3 ARG 93 2HB ARG 93 3.293 -10.064 6.881 669 HG2 ARG 93 1HG ARG 93 5.537 -8.785 7.415 670 HG3 ARG 93 2HG ARG 93 4.434 -7.420 7.598 671 HD2 ARG 93 1HD ARG 93 4.823 -8.566 9.728 672 HD3 ARG 93 2HD ARG 93 3.134 -8.664 9.231 673 HE ARG 93 HE ARG 93 4.575 -10.938 8.346 674 HH11 ARG 93 2HH1 ARG 93 3.181 -9.498 11.193 675 HH12 ARG 93 1HH1 ARG 93 2.923 -11.014 11.992 676 HH21 ARG 93 2HH2 ARG 93 4.241 -12.939 9.388 677 HH22 ARG 93 1HH2 ARG 93 3.527 -12.970 10.965 678 H ALA 94 H ALA 94 5.235 -11.216 3.954 679 HA ALA 94 HA ALA 94 3.190 -11.763 2.121 680 HB1 ALA 94 1HB ALA 94 5.674 -13.001 2.959 681 HB2 ALA 94 2HB ALA 94 4.443 -14.194 2.542 682 HB3 ALA 94 3HB ALA 94 4.910 -12.962 1.370 683 H LEU 95 H LEU 95 1.409 -13.046 2.159 684 HA LEU 95 HA LEU 95 -0.008 -13.471 4.474 685 HB2 LEU 95 1HB LEU 95 -0.123 -14.957 1.859 686 HB3 LEU 95 2HB LEU 95 -1.302 -15.174 3.151 687 HG LEU 95 HG LEU 95 -0.970 -12.944 1.228 688 HD11 LEU 95 1HD1 LEU 95 -3.487 -12.940 1.598 689 HD12 LEU 95 2HD1 LEU 95 -3.239 -14.412 2.536 690 HD13 LEU 95 3HD1 LEU 95 -2.791 -14.368 0.831 691 HD21 LEU 95 1HD2 LEU 95 -2.056 -11.347 2.689 692 HD22 LEU 95 2HD2 LEU 95 -0.527 -11.868 3.398 693 HD23 LEU 95 3HD2 LEU 95 -2.049 -12.514 4.012 694 HA PRO 96 HA PRO 96 1.742 -16.945 6.518 695 HB2 PRO 96 1HB PRO 96 -0.464 -17.959 7.733 696 HB3 PRO 96 2HB PRO 96 0.323 -16.466 8.260 697 HG2 PRO 96 1HG PRO 96 -2.109 -16.825 6.551 698 HG3 PRO 96 2HG PRO 96 -1.829 -15.675 7.872 699 HD2 PRO 96 1HD PRO 96 -1.627 -14.975 5.264 700 HD3 PRO 96 2HD PRO 96 -0.629 -14.234 6.532 701 H ALA 97 H ALA 97 2.376 -18.822 5.680 702 HA ALA 97 HA ALA 97 0.708 -20.206 3.752 703 HB1 ALA 97 1HB ALA 97 3.475 -20.927 4.708 704 HB2 ALA 97 2HB ALA 97 2.650 -21.538 3.273 705 HB3 ALA 97 3HB ALA 97 3.131 -19.844 3.359 706 H ARG 98 H ARG 98 1.885 -20.641 7.023 707 HA ARG 98 HA ARG 98 0.187 -23.032 7.248 708 HB2 ARG 98 1HB ARG 98 3.009 -22.649 8.215 709 HB3 ARG 98 2HB ARG 98 1.935 -23.813 8.978 710 HG2 ARG 98 1HG ARG 98 2.262 -23.900 6.023 711 HG3 ARG 98 2HG ARG 98 3.560 -24.519 7.045 712 HD2 ARG 98 1HD ARG 98 2.164 -26.148 8.012 713 HD3 ARG 98 2HD ARG 98 0.702 -25.363 7.416 714 HE ARG 98 HE ARG 98 2.489 -26.293 5.352 715 HH11 ARG 98 2HH1 ARG 98 -0.197 -27.080 7.423 716 HH12 ARG 98 1HH1 ARG 98 -0.790 -28.341 6.393 717 HH21 ARG 98 2HH2 ARG 98 1.718 -27.951 3.988 718 HH22 ARG 98 1HH2 ARG 98 0.300 -28.836 4.440 719 H PHE 99 H PHE 99 0.147 -23.571 9.807 720 HA PHE 99 HA PHE 99 -0.642 -21.051 11.116 721 HB2 PHE 99 1HB PHE 99 -2.615 -22.335 10.713 722 HB3 PHE 99 2HB PHE 99 -1.851 -23.811 11.296 723 HD1 PHE 99 2HD PHE 99 -1.333 -24.035 13.731 724 HD2 PHE 99 1HD PHE 99 -3.711 -20.864 12.181 725 HE1 PHE 99 2HE PHE 99 -2.225 -23.608 15.984 726 HE2 PHE 99 1HE PHE 99 -4.606 -20.431 14.432 727 HZ PHE 99 HZ PHE 99 -3.864 -21.804 16.337 728 H THR 100 H THR 100 -0.015 -20.678 13.203 729 HA THR 100 HA THR 100 1.737 -22.700 14.441 730 HB THR 100 HB THR 100 3.047 -20.804 13.517 731 HG1 THR 100 1HG THR 100 4.323 -21.117 15.172 732 HG21 THR 100 1HG2 THR 100 2.325 -18.899 15.581 733 HG22 THR 100 2HG2 THR 100 0.968 -19.249 14.510 734 HG23 THR 100 3HG2 THR 100 2.492 -18.664 13.841 735 H GLU 101 H GLU 101 1.857 -22.649 16.759 736 HA GLU 101 HA GLU 101 -0.508 -21.410 18.007 737 HB2 GLU 101 1HB GLU 101 -0.146 -23.382 19.697 738 HB3 GLU 101 2HB GLU 101 -1.007 -23.653 18.188 739 HG2 GLU 101 1HG GLU 101 1.937 -24.105 18.299 740 HG3 GLU 101 2HG GLU 101 0.840 -25.310 18.972 741 H GLY 102 H GLY 102 0.265 -19.645 19.016 742 HA2 GLY 102 1HA GLY 102 2.844 -19.711 20.352 743 HA3 GLY 102 2HA GLY 102 1.788 -18.316 20.186 744 H SER 103 H SER 103 1.615 -21.541 21.705 745 HA SER 103 HA SER 103 -0.197 -20.980 23.685 746 HB2 SER 103 1HB SER 103 0.936 -23.214 23.114 747 HB3 SER 103 2HB SER 103 2.218 -22.706 24.213 748 HG SER 103 HG SER 103 0.806 -22.745 25.891 749 H GLY 104 H GLY 104 -0.192 -20.008 25.652 750 HA2 GLY 104 1HA GLY 104 1.558 -19.481 27.526 751 HA3 GLY 104 2HA GLY 104 2.176 -18.400 26.287 752 HA PRO 105 HA PRO 105 -1.576 -16.662 28.762 753 HB2 PRO 105 1HB PRO 105 -0.327 -15.502 30.875 754 HB3 PRO 105 2HB PRO 105 -0.962 -17.151 30.921 755 HG2 PRO 105 1HG PRO 105 1.846 -16.214 30.474 756 HG3 PRO 105 2HG PRO 105 1.260 -17.556 31.474 757 HD2 PRO 105 1HD PRO 105 2.314 -17.929 29.008 758 HD3 PRO 105 2HD PRO 105 1.037 -18.970 29.668 759 H SER 106 H SER 106 -2.100 -14.871 27.690 760 HA SER 106 HA SER 106 -0.437 -13.152 26.355 761 HB2 SER 106 1HB SER 106 -3.145 -12.627 27.589 762 HB3 SER 106 2HB SER 106 -2.332 -11.475 26.530 763 HG SER 106 HG SER 106 -2.196 -13.581 25.152 764 H SER 107 H SER 107 -1.929 -12.455 29.522 765 HA SER 107 HA SER 107 0.473 -11.300 30.550 766 HB2 SER 107 1HB SER 107 -0.285 -9.001 30.766 767 HB3 SER 107 2HB SER 107 -0.317 -9.465 29.065 768 HG SER 107 HG SER 107 -2.533 -9.375 30.837 769 H GLY 108 H GLY 108 0.427 -11.994 32.577 770 HA2 GLY 108 1HA GLY 108 -1.024 -11.261 34.660 771 HA3 GLY 108 2HA GLY 108 -2.141 -12.393 33.912 Start of MODEL 8 1 H1 GLY 1 H GLY 1 25.616 42.986 4.919 2 HA2 GLY 1 1HA GLY 1 23.634 42.848 2.765 3 HA3 GLY 1 2HA GLY 1 25.354 42.521 2.609 4 H SER 2 H SER 2 22.304 41.244 3.836 5 HA SER 2 HA SER 2 23.496 38.566 3.969 6 HB2 SER 2 1HB SER 2 21.583 37.922 5.302 7 HB3 SER 2 2HB SER 2 22.240 39.422 5.957 8 HG SER 2 HG SER 2 20.581 40.550 4.951 9 H SER 3 H SER 3 23.238 37.269 2.290 10 HA SER 3 HA SER 3 21.047 37.785 0.410 11 HB2 SER 3 1HB SER 3 23.519 36.071 0.062 12 HB3 SER 3 2HB SER 3 22.330 36.440 -1.187 13 HG SER 3 HG SER 3 23.991 37.874 -1.445 14 H GLY 4 H GLY 4 19.262 36.692 0.962 15 HA2 GLY 4 1HA GLY 4 19.546 33.793 1.426 16 HA3 GLY 4 2HA GLY 4 18.512 34.768 2.460 17 H SER 5 H SER 5 18.999 33.739 -0.892 18 HA SER 5 HA SER 5 16.103 34.081 -1.322 19 HB2 SER 5 1HB SER 5 18.446 34.511 -3.144 20 HB3 SER 5 2HB SER 5 16.880 34.074 -3.826 21 HG SER 5 HG SER 5 16.215 35.926 -2.259 22 H SER 6 H SER 6 15.407 32.058 -0.766 23 HA SER 6 HA SER 6 16.733 29.680 -1.678 24 HB2 SER 6 1HB SER 6 14.269 30.279 -0.093 25 HB3 SER 6 2HB SER 6 14.443 28.677 -0.809 26 HG SER 6 HG SER 6 16.728 29.475 0.408 27 H GLY 7 H GLY 7 15.288 27.939 -2.758 28 HA2 GLY 7 1HA GLY 7 13.678 29.168 -4.901 29 HA3 GLY 7 2HA GLY 7 14.957 28.029 -5.293 30 HA PRO 8 HA PRO 8 11.948 24.831 -5.109 31 HB2 PRO 8 1HB PRO 8 13.604 22.705 -4.777 32 HB3 PRO 8 2HB PRO 8 13.439 23.564 -6.313 33 HG2 PRO 8 1HG PRO 8 15.558 23.826 -4.215 34 HG3 PRO 8 2HG PRO 8 15.731 23.768 -5.979 35 HD2 PRO 8 1HD PRO 8 15.814 26.086 -4.582 36 HD3 PRO 8 2HD PRO 8 15.168 25.989 -6.232 37 H ALA 9 H ALA 9 10.824 23.619 -3.623 38 HA ALA 9 HA ALA 9 11.227 24.189 -0.877 39 HB1 ALA 9 1HB ALA 9 9.061 23.703 -0.923 40 HB2 ALA 9 2HB ALA 9 9.214 22.929 -2.501 41 HB3 ALA 9 3HB ALA 9 9.500 21.998 -1.030 42 H ARG 10 H ARG 10 12.068 22.984 0.763 43 HA ARG 10 HA ARG 10 13.455 20.505 -0.019 44 HB2 ARG 10 1HB ARG 10 15.062 20.979 1.758 45 HB3 ARG 10 2HB ARG 10 14.972 22.322 0.626 46 HG2 ARG 10 1HG ARG 10 13.903 23.702 2.144 47 HG3 ARG 10 2HG ARG 10 13.335 22.349 3.125 48 HD2 ARG 10 1HD ARG 10 15.631 21.910 3.846 49 HD3 ARG 10 2HD ARG 10 16.199 23.258 2.861 50 HE ARG 10 HE ARG 10 14.880 23.406 5.422 51 HH11 ARG 10 2HH1 ARG 10 15.716 25.099 2.498 52 HH12 ARG 10 1HH1 ARG 10 15.594 26.671 3.218 53 HH21 ARG 10 2HH2 ARG 10 14.715 25.469 6.381 54 HH22 ARG 10 1HH2 ARG 10 15.025 26.879 5.427 55 H PHE 11 H PHE 11 13.405 18.727 1.370 56 HA PHE 11 HA PHE 11 10.987 18.397 2.830 57 HB2 PHE 11 1HB PHE 11 13.430 16.679 2.444 58 HB3 PHE 11 2HB PHE 11 12.115 16.185 3.506 59 HD1 PHE 11 1HD PHE 11 9.910 15.663 2.594 60 HD2 PHE 11 2HD PHE 11 13.189 16.651 0.065 61 HE1 PHE 11 1HE PHE 11 8.692 14.746 0.662 62 HE2 PHE 11 2HE PHE 11 11.976 15.737 -1.870 63 HZ PHE 11 HZ PHE 11 9.724 14.784 -1.574 64 H THR 12 H THR 12 10.621 18.265 5.013 65 HA THR 12 HA THR 12 12.817 19.204 6.741 66 HB THR 12 HB THR 12 11.066 20.130 8.234 67 HG1 THR 12 1HG THR 12 8.958 20.034 7.672 68 HG21 THR 12 1HG2 THR 12 10.808 21.168 5.411 69 HG22 THR 12 2HG2 THR 12 12.178 21.504 6.470 70 HG23 THR 12 3HG2 THR 12 10.567 22.070 6.907 71 H GLN 13 H GLN 13 10.268 16.868 6.309 72 HA GLN 13 HA GLN 13 11.217 15.461 8.716 73 HB2 GLN 13 1HB GLN 13 8.450 16.064 7.810 74 HB3 GLN 13 2HB GLN 13 8.734 14.489 8.540 75 HG2 GLN 13 1HG GLN 13 9.719 16.934 9.925 76 HG3 GLN 13 2HG GLN 13 8.005 16.527 9.996 77 HE21 GLN 13 1HE2 GLN 13 7.742 14.020 10.394 78 HE22 GLN 13 2HE2 GLN 13 8.630 13.432 11.755 79 H ASP 14 H ASP 14 12.371 13.783 8.026 80 HA ASP 14 HA ASP 14 12.571 12.608 5.624 81 HB2 ASP 14 1HB ASP 14 13.345 10.592 6.695 82 HB3 ASP 14 2HB ASP 14 13.860 11.968 7.667 83 H LEU 15 H LEU 15 11.601 10.954 4.448 84 HA LEU 15 HA LEU 15 8.806 10.851 4.480 85 HB2 LEU 15 1HB LEU 15 10.610 10.221 2.658 86 HB3 LEU 15 2HB LEU 15 10.357 8.601 3.303 87 HG LEU 15 HG LEU 15 8.105 10.313 2.276 88 HD11 LEU 15 1HD1 LEU 15 10.113 8.726 0.810 89 HD12 LEU 15 2HD1 LEU 15 9.140 10.099 0.283 90 HD13 LEU 15 3HD1 LEU 15 8.430 8.486 0.342 91 HD21 LEU 15 1HD2 LEU 15 8.393 7.613 3.385 92 HD22 LEU 15 2HD2 LEU 15 7.440 7.705 1.904 93 HD23 LEU 15 3HD2 LEU 15 6.982 8.668 3.309 94 H LYS 16 H LYS 16 7.334 9.350 5.204 95 HA LYS 16 HA LYS 16 8.380 7.325 7.074 96 HB2 LYS 16 1HB LYS 16 7.252 8.842 8.443 97 HB3 LYS 16 2HB LYS 16 6.002 9.145 7.245 98 HG2 LYS 16 1HG LYS 16 6.215 6.410 8.382 99 HG3 LYS 16 2HG LYS 16 5.545 7.692 9.394 100 HD2 LYS 16 1HD LYS 16 3.785 8.105 7.879 101 HD3 LYS 16 2HD LYS 16 4.568 7.179 6.596 102 HE2 LYS 16 1HE LYS 16 4.079 5.132 7.623 103 HE3 LYS 16 2HE LYS 16 3.740 5.891 9.177 104 HZ1 LYS 16 1HZ LYS 16 1.658 5.372 8.325 105 HZ2 LYS 16 2HZ LYS 16 2.059 5.840 6.750 106 HZ3 LYS 16 3HZ LYS 16 1.826 7.013 7.947 107 H THR 17 H THR 17 7.406 5.297 7.114 108 HA THR 17 HA THR 17 5.352 4.737 5.102 109 HB THR 17 HB THR 17 7.388 4.220 3.925 110 HG1 THR 17 1HG THR 17 6.076 2.628 3.351 111 HG21 THR 17 1HG2 THR 17 9.097 2.777 4.754 112 HG22 THR 17 2HG2 THR 17 8.135 2.348 6.168 113 HG23 THR 17 3HG2 THR 17 8.786 3.978 6.006 114 H LYS 18 H LYS 18 4.774 2.265 5.293 115 HA LYS 18 HA LYS 18 4.866 1.380 8.080 116 HB2 LYS 18 1HB LYS 18 2.484 1.039 8.205 117 HB3 LYS 18 2HB LYS 18 2.789 2.718 7.777 118 HG2 LYS 18 1HG LYS 18 1.142 2.262 6.290 119 HG3 LYS 18 2HG LYS 18 2.529 1.752 5.324 120 HD2 LYS 18 1HD LYS 18 0.975 0.002 5.123 121 HD3 LYS 18 2HD LYS 18 2.148 -0.570 6.311 122 HE2 LYS 18 1HE LYS 18 -0.005 -1.105 7.156 123 HE3 LYS 18 2HE LYS 18 0.589 0.262 8.098 124 HZ1 LYS 18 1HZ LYS 18 -1.435 0.297 5.934 125 HZ2 LYS 18 2HZ LYS 18 -0.717 1.704 6.538 126 HZ3 LYS 18 3HZ LYS 18 -1.645 0.724 7.558 127 H GLU 19 H GLU 19 3.831 -0.860 8.274 128 HA GLU 19 HA GLU 19 4.628 -2.443 5.923 129 HB2 GLU 19 1HB GLU 19 5.454 -4.094 7.306 130 HB3 GLU 19 2HB GLU 19 5.809 -2.654 8.251 131 HG2 GLU 19 1HG GLU 19 3.358 -4.349 8.642 132 HG3 GLU 19 2HG GLU 19 4.855 -4.554 9.548 133 H ALA 20 H ALA 20 3.173 -3.714 4.954 134 HA ALA 20 HA ALA 20 0.696 -4.390 6.376 135 HB1 ALA 20 1HB ALA 20 -0.319 -2.775 5.180 136 HB2 ALA 20 2HB ALA 20 0.958 -2.726 3.964 137 HB3 ALA 20 3HB ALA 20 -0.280 -3.979 3.892 138 H SER 21 H SER 21 -0.592 -6.054 5.119 139 HA SER 21 HA SER 21 1.248 -8.143 4.268 140 HB2 SER 21 1HB SER 21 -0.578 -9.670 4.580 141 HB3 SER 21 2HB SER 21 -0.584 -8.561 5.951 142 HG SER 21 HG SER 21 -2.120 -7.346 4.401 143 H GLU 22 H GLU 22 0.472 -9.590 2.439 144 HA GLU 22 HA GLU 22 0.434 -8.137 0.050 145 HB2 GLU 22 1HB GLU 22 0.004 -10.999 0.778 146 HB3 GLU 22 2HB GLU 22 -0.427 -10.478 -0.845 147 HG2 GLU 22 1HG GLU 22 1.848 -9.658 -1.188 148 HG3 GLU 22 2HG GLU 22 2.280 -10.186 0.438 149 H GLY 23 H GLY 23 -1.145 -7.015 -0.865 150 HA2 GLY 23 1HA GLY 23 -3.319 -6.967 -1.894 151 HA3 GLY 23 2HA GLY 23 -3.908 -7.998 -0.599 152 H ALA 24 H ALA 24 -2.347 -6.257 1.342 153 HA ALA 24 HA ALA 24 -4.506 -4.533 2.023 154 HB1 ALA 24 1HB ALA 24 -3.494 -4.997 3.965 155 HB2 ALA 24 2HB ALA 24 -1.940 -5.311 3.191 156 HB3 ALA 24 3HB ALA 24 -2.425 -3.655 3.554 157 H THR 25 H THR 25 -3.632 -2.171 2.797 158 HA THR 25 HA THR 25 -2.492 -0.932 0.376 159 HB THR 25 HB THR 25 -4.602 0.223 2.210 160 HG1 THR 25 1HG THR 25 -5.677 0.138 -0.036 161 HG21 THR 25 1HG2 THR 25 -4.422 2.217 1.144 162 HG22 THR 25 2HG2 THR 25 -3.964 1.477 -0.390 163 HG23 THR 25 3HG2 THR 25 -2.765 1.674 0.888 164 H ALA 26 H ALA 26 -0.719 0.257 0.656 165 HA ALA 26 HA ALA 26 0.347 0.619 3.317 166 HB1 ALA 26 1HB ALA 26 2.272 0.425 2.237 167 HB2 ALA 26 2HB ALA 26 1.417 0.413 0.694 168 HB3 ALA 26 3HB ALA 26 1.953 1.941 1.393 169 H THR 27 H THR 27 1.523 2.835 3.659 170 HA THR 27 HA THR 27 0.100 5.134 2.654 171 HB THR 27 HB THR 27 -0.099 4.474 5.599 172 HG1 THR 27 1HG THR 27 -1.896 3.526 5.038 173 HG21 THR 27 1HG2 THR 27 -1.309 6.499 5.851 174 HG22 THR 27 2HG2 THR 27 -1.404 6.743 4.107 175 HG23 THR 27 3HG2 THR 27 0.143 6.908 4.937 176 H LEU 28 H LEU 28 1.822 6.335 2.152 177 HA LEU 28 HA LEU 28 3.989 6.577 4.129 178 HB2 LEU 28 1HB LEU 28 4.073 7.200 1.182 179 HB3 LEU 28 2HB LEU 28 5.433 7.231 2.302 180 HG LEU 28 HG LEU 28 4.726 4.678 2.603 181 HD11 LEU 28 1HD1 LEU 28 3.196 5.556 0.348 182 HD12 LEU 28 2HD1 LEU 28 3.236 3.972 1.122 183 HD13 LEU 28 3HD1 LEU 28 4.380 4.354 -0.165 184 HD21 LEU 28 1HD2 LEU 28 6.930 5.161 2.042 185 HD22 LEU 28 2HD2 LEU 28 6.475 5.985 0.550 186 HD23 LEU 28 3HD2 LEU 28 6.356 4.228 0.659 187 H GLN 29 H GLN 29 4.080 8.416 5.221 188 HA GLN 29 HA GLN 29 2.854 10.817 4.039 189 HB2 GLN 29 1HB GLN 29 3.196 10.019 6.931 190 HB3 GLN 29 2HB GLN 29 2.657 11.612 6.416 191 HG2 GLN 29 1HG GLN 29 0.639 10.795 5.587 192 HG3 GLN 29 2HG GLN 29 1.226 9.134 5.541 193 HE21 GLN 29 1HE2 GLN 29 -0.474 8.345 6.751 194 HE22 GLN 29 2HE2 GLN 29 -0.643 8.663 8.440 195 H CYS 30 H CYS 30 4.015 12.666 3.872 196 HA CYS 30 HA CYS 30 6.653 12.798 5.133 197 HB2 CYS 30 1HB CYS 30 7.785 13.352 3.109 198 HB3 CYS 30 2HB CYS 30 6.863 11.890 2.785 199 HG CYS 30 HG CYS 30 5.484 12.809 0.818 200 H GLU 31 H GLU 31 7.648 15.061 4.611 201 HA GLU 31 HA GLU 31 5.536 17.103 4.621 202 HB2 GLU 31 1HB GLU 31 6.580 16.387 6.942 203 HB3 GLU 31 2HB GLU 31 7.890 17.440 6.428 204 HG2 GLU 31 1HG GLU 31 6.373 19.305 6.234 205 HG3 GLU 31 2HG GLU 31 5.002 18.265 6.620 206 H LEU 32 H LEU 32 6.456 19.334 4.321 207 HA LEU 32 HA LEU 32 9.001 19.407 2.901 208 HB2 LEU 32 1HB LEU 32 6.378 20.252 1.682 209 HB3 LEU 32 2HB LEU 32 7.960 20.655 1.016 210 HG LEU 32 HG LEU 32 7.142 17.798 1.423 211 HD11 LEU 32 1HD1 LEU 32 6.030 19.709 -0.477 212 HD12 LEU 32 2HD1 LEU 32 5.473 18.097 -0.029 213 HD13 LEU 32 3HD1 LEU 32 6.738 18.287 -1.243 214 HD21 LEU 32 1HD2 LEU 32 9.268 19.294 -0.001 215 HD22 LEU 32 2HD2 LEU 32 8.648 17.833 -0.772 216 HD23 LEU 32 3HD2 LEU 32 9.339 17.750 0.849 217 H SER 33 H SER 33 9.846 21.542 2.624 218 HA SER 33 HA SER 33 9.453 23.225 4.827 219 HB2 SER 33 1HB SER 33 11.555 23.380 3.776 220 HB3 SER 33 2HB SER 33 10.839 23.604 2.180 221 HG SER 33 HG SER 33 10.378 25.487 4.219 222 H LYS 34 H LYS 34 7.877 23.081 1.748 223 HA LYS 34 HA LYS 34 5.825 24.864 2.576 224 HB2 LYS 34 1HB LYS 34 6.159 26.629 0.921 225 HB3 LYS 34 2HB LYS 34 7.527 26.543 2.023 226 HG2 LYS 34 1HG LYS 34 8.913 25.568 0.398 227 HG3 LYS 34 2HG LYS 34 7.547 25.184 -0.652 228 HD2 LYS 34 1HD LYS 34 7.171 27.726 -0.745 229 HD3 LYS 34 2HD LYS 34 8.810 27.851 -0.102 230 HE2 LYS 34 1HE LYS 34 9.629 26.515 -2.001 231 HE3 LYS 34 2HE LYS 34 7.990 26.455 -2.649 232 HZ1 LYS 34 1HZ LYS 34 9.182 29.072 -2.071 233 HZ2 LYS 34 2HZ LYS 34 8.048 28.643 -3.251 234 HZ3 LYS 34 3HZ LYS 34 9.679 28.248 -3.463 235 H VAL 35 H VAL 35 4.085 24.999 1.043 236 HA VAL 35 HA VAL 35 3.465 22.653 -0.256 237 HB VAL 35 HB VAL 35 2.447 25.377 -1.069 238 HG11 VAL 35 1HG1 VAL 35 0.964 22.768 -1.154 239 HG12 VAL 35 2HG1 VAL 35 0.574 24.286 -1.964 240 HG13 VAL 35 3HG1 VAL 35 1.951 23.325 -2.505 241 HG21 VAL 35 1HG2 VAL 35 0.551 24.394 0.583 242 HG22 VAL 35 2HG2 VAL 35 2.006 23.756 1.351 243 HG23 VAL 35 3HG2 VAL 35 1.831 25.493 1.098 244 H ALA 36 H ALA 36 4.608 21.711 -1.818 245 HA ALA 36 HA ALA 36 5.087 23.187 -4.285 246 HB1 ALA 36 1HB ALA 36 7.274 21.906 -2.665 247 HB2 ALA 36 2HB ALA 36 7.439 22.273 -4.383 248 HB3 ALA 36 3HB ALA 36 7.165 23.575 -3.225 249 HA PRO 37 HA PRO 37 3.902 19.385 -6.141 250 HB2 PRO 37 1HB PRO 37 5.150 19.603 -8.542 251 HB3 PRO 37 2HB PRO 37 3.725 20.556 -8.110 252 HG2 PRO 37 1HG PRO 37 6.614 21.338 -8.057 253 HG3 PRO 37 2HG PRO 37 5.214 22.265 -8.627 254 HD2 PRO 37 1HD PRO 37 6.343 22.676 -6.200 255 HD3 PRO 37 2HD PRO 37 4.607 22.899 -6.496 256 H VAL 38 H VAL 38 4.597 17.316 -6.199 257 HA VAL 38 HA VAL 38 7.477 16.789 -6.407 258 HB VAL 38 HB VAL 38 7.384 15.168 -4.578 259 HG11 VAL 38 1HG1 VAL 38 7.496 16.700 -2.795 260 HG12 VAL 38 2HG1 VAL 38 7.936 17.626 -4.231 261 HG13 VAL 38 3HG1 VAL 38 6.319 17.780 -3.542 262 HG21 VAL 38 1HG2 VAL 38 5.039 15.933 -3.208 263 HG22 VAL 38 2HG2 VAL 38 4.566 15.544 -4.862 264 HG23 VAL 38 3HG2 VAL 38 5.434 14.355 -3.890 265 H GLU 39 H GLU 39 7.848 14.331 -6.567 266 HA GLU 39 HA GLU 39 5.656 12.932 -7.888 267 HB2 GLU 39 1HB GLU 39 6.721 14.035 -9.745 268 HB3 GLU 39 2HB GLU 39 8.311 13.523 -9.199 269 HG2 GLU 39 1HG GLU 39 7.597 11.163 -9.574 270 HG3 GLU 39 2HG GLU 39 6.117 11.787 -10.300 271 H TRP 40 H TRP 40 5.537 11.017 -6.944 272 HA TRP 40 HA TRP 40 7.708 9.917 -5.442 273 HB2 TRP 40 1HB TRP 40 5.040 8.707 -6.203 274 HB3 TRP 40 2HB TRP 40 6.165 8.031 -5.028 275 HD1 TRP 40 HD TRP 40 4.172 11.331 -5.519 276 HE1 TRP 40 1HE TRP 40 3.452 12.168 -3.195 277 HE3 TRP 40 3HE TRP 40 6.431 7.764 -2.636 278 HZ2 TRP 40 2HZ TRP 40 3.797 11.417 -0.496 279 HZ3 TRP 40 3HZ TRP 40 6.188 7.896 -0.191 280 HH2 TRP 40 HH TRP 40 4.898 9.686 0.855 281 H LYS 41 H LYS 41 8.879 8.033 -5.836 282 HA LYS 41 HA LYS 41 8.609 6.765 -8.453 283 HB2 LYS 41 1HB LYS 41 10.966 8.345 -7.517 284 HB3 LYS 41 2HB LYS 41 11.247 6.914 -8.501 285 HG2 LYS 41 1HG LYS 41 9.406 8.057 -10.025 286 HG3 LYS 41 2HG LYS 41 10.014 9.509 -9.227 287 HD2 LYS 41 1HD LYS 41 12.334 8.737 -9.879 288 HD3 LYS 41 2HD LYS 41 11.549 7.527 -10.895 289 HE2 LYS 41 1HE LYS 41 11.863 9.233 -12.403 290 HE3 LYS 41 2HE LYS 41 10.237 9.591 -11.823 291 HZ1 LYS 41 1HZ LYS 41 12.569 10.806 -10.499 292 HZ2 LYS 41 2HZ LYS 41 10.976 11.367 -10.583 293 HZ3 LYS 41 3HZ LYS 41 11.981 11.469 -11.940 294 H LYS 42 H LYS 42 9.585 4.695 -8.593 295 HA LYS 42 HA LYS 42 10.337 3.540 -5.987 296 HB2 LYS 42 1HB LYS 42 8.087 2.825 -6.791 297 HB3 LYS 42 2HB LYS 42 8.852 2.142 -8.219 298 HG2 LYS 42 1HG LYS 42 9.899 0.453 -7.000 299 HG3 LYS 42 2HG LYS 42 9.667 1.293 -5.465 300 HD2 LYS 42 1HD LYS 42 7.372 0.784 -5.411 301 HD3 LYS 42 2HD LYS 42 7.346 0.339 -7.119 302 HE2 LYS 42 1HE LYS 42 8.699 -1.165 -4.882 303 HE3 LYS 42 2HE LYS 42 7.239 -1.649 -5.742 304 HZ1 LYS 42 1HZ LYS 42 8.946 -2.867 -6.726 305 HZ2 LYS 42 2HZ LYS 42 10.015 -1.556 -6.751 306 HZ3 LYS 42 3HZ LYS 42 8.694 -1.589 -7.807 307 H GLY 43 H GLY 43 11.918 4.635 -8.332 308 HA2 GLY 43 1HA GLY 43 14.228 3.416 -8.297 309 HA3 GLY 43 2HA GLY 43 13.323 2.208 -9.196 310 HA PRO 44 HA PRO 44 15.145 4.803 -12.451 311 HB2 PRO 44 1HB PRO 44 15.131 2.831 -14.317 312 HB3 PRO 44 2HB PRO 44 16.404 2.995 -13.102 313 HG2 PRO 44 1HG PRO 44 14.026 1.178 -13.119 314 HG3 PRO 44 2HG PRO 44 15.702 0.823 -12.662 315 HD2 PRO 44 1HD PRO 44 13.763 1.300 -10.833 316 HD3 PRO 44 2HD PRO 44 15.460 1.751 -10.566 317 H GLU 45 H GLU 45 12.120 3.663 -11.847 318 HA GLU 45 HA GLU 45 11.071 4.667 -14.412 319 HB2 GLU 45 1HB GLU 45 10.258 2.378 -12.699 320 HB3 GLU 45 2HB GLU 45 8.977 3.281 -13.494 321 HG2 GLU 45 1HG GLU 45 9.603 2.612 -15.580 322 HG3 GLU 45 2HG GLU 45 11.294 2.409 -15.129 323 H THR 46 H THR 46 8.812 5.573 -14.205 324 HA THR 46 HA THR 46 8.631 7.181 -11.741 325 HB THR 46 HB THR 46 7.559 7.949 -14.459 326 HG1 THR 46 1HG THR 46 9.423 9.497 -14.243 327 HG21 THR 46 1HG2 THR 46 7.918 9.482 -11.883 328 HG22 THR 46 2HG2 THR 46 6.393 9.047 -12.655 329 HG23 THR 46 3HG2 THR 46 7.472 10.210 -13.425 330 H LEU 47 H LEU 47 6.601 7.549 -10.822 331 HA LEU 47 HA LEU 47 4.492 5.705 -11.734 332 HB2 LEU 47 1HB LEU 47 4.913 6.762 -8.945 333 HB3 LEU 47 2HB LEU 47 3.748 5.541 -9.452 334 HG LEU 47 HG LEU 47 6.672 5.038 -9.817 335 HD11 LEU 47 1HD1 LEU 47 6.944 4.241 -7.620 336 HD12 LEU 47 2HD1 LEU 47 5.223 4.392 -7.266 337 HD13 LEU 47 3HD1 LEU 47 6.214 5.838 -7.456 338 HD21 LEU 47 1HD2 LEU 47 4.194 3.576 -10.037 339 HD22 LEU 47 2HD2 LEU 47 5.309 2.778 -8.927 340 HD23 LEU 47 3HD2 LEU 47 5.813 3.134 -10.580 341 H ARG 48 H ARG 48 2.300 6.511 -10.556 342 HA ARG 48 HA ARG 48 1.908 9.333 -10.484 343 HB2 ARG 48 1HB ARG 48 1.253 7.825 -12.983 344 HB3 ARG 48 2HB ARG 48 0.199 9.139 -12.478 345 HG2 ARG 48 1HG ARG 48 2.417 10.492 -12.316 346 HG3 ARG 48 2HG ARG 48 3.037 9.231 -13.384 347 HD2 ARG 48 1HD ARG 48 0.948 9.715 -14.810 348 HD3 ARG 48 2HD ARG 48 0.835 11.206 -13.877 349 HE ARG 48 HE ARG 48 3.443 10.972 -14.866 350 HH11 ARG 48 2HH1 ARG 48 0.197 11.479 -16.019 351 HH12 ARG 48 1HH1 ARG 48 0.693 12.391 -17.406 352 HH21 ARG 48 2HH2 ARG 48 4.108 12.171 -16.689 353 HH22 ARG 48 1HH2 ARG 48 2.918 12.783 -17.787 354 H ASP 49 H ASP 49 -0.316 9.915 -10.028 355 HA ASP 49 HA ASP 49 -1.561 8.143 -8.237 356 HB2 ASP 49 1HB ASP 49 -3.103 9.833 -7.847 357 HB3 ASP 49 2HB ASP 49 -1.725 10.743 -8.462 358 H GLY 50 H GLY 50 -3.761 7.282 -8.371 359 HA2 GLY 50 1HA GLY 50 -5.645 6.584 -9.686 360 HA3 GLY 50 2HA GLY 50 -4.629 6.674 -11.117 361 H GLY 51 H GLY 51 -6.258 4.456 -10.372 362 HA2 GLY 51 1HA GLY 51 -6.119 2.164 -10.340 363 HA3 GLY 51 2HA GLY 51 -4.423 2.351 -10.759 364 H ARG 52 H ARG 52 -3.231 1.200 -9.398 365 HA ARG 52 HA ARG 52 -4.092 0.817 -6.650 366 HB2 ARG 52 1HB ARG 52 -2.082 -0.440 -8.451 367 HB3 ARG 52 2HB ARG 52 -1.783 -0.514 -6.720 368 HG2 ARG 52 1HG ARG 52 -2.909 -2.507 -7.345 369 HG3 ARG 52 2HG ARG 52 -4.056 -1.509 -6.448 370 HD2 ARG 52 1HD ARG 52 -5.310 -2.250 -8.256 371 HD3 ARG 52 2HD ARG 52 -4.777 -0.650 -8.771 372 HE ARG 52 HE ARG 52 -3.635 -1.645 -10.474 373 HH11 ARG 52 2HH1 ARG 52 -4.227 -4.021 -8.000 374 HH12 ARG 52 1HH1 ARG 52 -3.581 -5.336 -8.925 375 HH21 ARG 52 2HH2 ARG 52 -2.782 -3.367 -11.702 376 HH22 ARG 52 1HH2 ARG 52 -2.758 -4.962 -11.031 377 H TYR 53 H TYR 53 -3.339 3.472 -7.367 378 HA TYR 53 HA TYR 53 -1.358 3.940 -5.317 379 HB2 TYR 53 1HB TYR 53 -0.847 4.756 -8.184 380 HB3 TYR 53 2HB TYR 53 0.064 5.358 -6.803 381 HD1 TYR 53 1HD TYR 53 1.311 3.643 -5.368 382 HD2 TYR 53 2HD TYR 53 -0.226 2.761 -9.237 383 HE1 TYR 53 1HE TYR 53 2.833 1.718 -5.528 384 HE2 TYR 53 2HE TYR 53 1.291 0.833 -9.407 385 HH TYR 53 HH TYR 53 3.788 0.334 -8.065 386 H SER 54 H SER 54 -2.285 5.451 -4.118 387 HA SER 54 HA SER 54 -3.687 7.661 -5.474 388 HB2 SER 54 1HB SER 54 -5.014 5.884 -4.021 389 HB3 SER 54 2HB SER 54 -4.436 6.884 -2.688 390 HG SER 54 HG SER 54 -6.185 7.537 -4.783 391 H LEU 55 H LEU 55 -2.668 9.524 -5.222 392 HA LEU 55 HA LEU 55 -1.134 9.970 -2.745 393 HB2 LEU 55 1HB LEU 55 -0.575 11.375 -5.332 394 HB3 LEU 55 2HB LEU 55 0.474 11.186 -3.928 395 HG LEU 55 HG LEU 55 0.285 8.623 -4.624 396 HD11 LEU 55 1HD1 LEU 55 -0.172 8.181 -6.797 397 HD12 LEU 55 2HD1 LEU 55 0.395 9.755 -7.355 398 HD13 LEU 55 3HD1 LEU 55 -1.198 9.603 -6.613 399 HD21 LEU 55 1HD2 LEU 55 2.370 8.983 -5.968 400 HD22 LEU 55 2HD2 LEU 55 2.377 9.730 -4.370 401 HD23 LEU 55 3HD2 LEU 55 2.098 10.718 -5.805 402 H LYS 56 H LYS 56 -1.829 11.562 -1.489 403 HA LYS 56 HA LYS 56 -3.543 13.643 -2.682 404 HB2 LYS 56 1HB LYS 56 -4.893 12.340 -1.216 405 HB3 LYS 56 2HB LYS 56 -3.653 12.332 0.032 406 HG2 LYS 56 1HG LYS 56 -5.219 13.852 0.818 407 HG3 LYS 56 2HG LYS 56 -3.979 14.876 0.091 408 HD2 LYS 56 1HD LYS 56 -5.302 15.258 -1.841 409 HD3 LYS 56 2HD LYS 56 -6.442 13.986 -1.395 410 HE2 LYS 56 1HE LYS 56 -7.291 15.268 0.415 411 HE3 LYS 56 2HE LYS 56 -5.987 16.446 0.279 412 HZ1 LYS 56 1HZ LYS 56 -8.147 17.185 -0.662 413 HZ2 LYS 56 2HZ LYS 56 -8.008 15.981 -1.842 414 HZ3 LYS 56 3HZ LYS 56 -6.868 17.228 -1.769 415 H GLN 57 H GLN 57 -2.805 15.658 -2.582 416 HA GLN 57 HA GLN 57 -0.463 16.214 -0.923 417 HB2 GLN 57 1HB GLN 57 -0.204 16.819 -3.231 418 HB3 GLN 57 2HB GLN 57 -1.721 17.707 -3.225 419 HG2 GLN 57 1HG GLN 57 -0.831 19.506 -2.136 420 HG3 GLN 57 2HG GLN 57 0.417 18.546 -1.341 421 HE21 GLN 57 1HE2 GLN 57 2.368 19.030 -2.011 422 HE22 GLN 57 2HE2 GLN 57 2.816 19.497 -3.612 423 H ASP 58 H ASP 58 -0.952 16.866 1.072 424 HA ASP 58 HA ASP 58 -3.222 18.694 1.451 425 HB2 ASP 58 1HB ASP 58 -2.902 16.448 2.761 426 HB3 ASP 58 2HB ASP 58 -1.758 17.387 3.717 427 H GLY 59 H GLY 59 -1.993 20.510 0.658 428 HA2 GLY 59 1HA GLY 59 -0.822 22.452 1.021 429 HA3 GLY 59 2HA GLY 59 -0.819 22.031 2.727 430 H THR 60 H THR 60 0.979 21.116 3.638 431 HA THR 60 HA THR 60 3.343 20.961 1.887 432 HB THR 60 HB THR 60 4.701 21.426 3.888 433 HG1 THR 60 1HG THR 60 2.237 21.929 5.222 434 HG21 THR 60 1HG2 THR 60 2.562 23.532 3.718 435 HG22 THR 60 2HG2 THR 60 3.693 23.247 2.395 436 HG23 THR 60 3HG2 THR 60 4.294 23.738 3.978 437 H ARG 61 H ARG 61 1.383 18.816 2.486 438 HA ARG 61 HA ARG 61 3.325 16.822 3.387 439 HB2 ARG 61 1HB ARG 61 0.695 17.428 4.648 440 HB3 ARG 61 2HB ARG 61 1.177 15.742 4.528 441 HG2 ARG 61 1HG ARG 61 3.062 16.068 5.882 442 HG3 ARG 61 2HG ARG 61 2.978 17.823 5.718 443 HD2 ARG 61 1HD ARG 61 0.971 16.083 7.147 444 HD3 ARG 61 2HD ARG 61 2.204 17.078 7.919 445 HE ARG 61 HE ARG 61 0.964 18.978 7.419 446 HH11 ARG 61 2HH1 ARG 61 -0.482 16.135 6.023 447 HH12 ARG 61 1HH1 ARG 61 -1.987 16.916 5.666 448 HH21 ARG 61 2HH2 ARG 61 -1.013 20.018 6.954 449 HH22 ARG 61 1HH2 ARG 61 -2.287 19.125 6.195 450 H CYS 62 H CYS 62 2.932 14.703 2.610 451 HA CYS 62 HA CYS 62 0.860 14.482 0.538 452 HB2 CYS 62 1HB CYS 62 3.770 13.708 0.271 453 HB3 CYS 62 2HB CYS 62 2.517 13.225 -0.866 454 HG CYS 62 HG CYS 62 3.949 16.257 -0.424 455 H GLU 63 H GLU 63 -0.179 12.554 0.435 456 HA GLU 63 HA GLU 63 0.805 10.398 2.185 457 HB2 GLU 63 1HB GLU 63 -1.075 11.413 3.289 458 HB3 GLU 63 2HB GLU 63 -2.029 11.370 1.813 459 HG2 GLU 63 1HG GLU 63 -2.036 8.927 1.890 460 HG3 GLU 63 2HG GLU 63 -1.090 8.975 3.376 461 H LEU 64 H LEU 64 1.492 8.840 0.866 462 HA LEU 64 HA LEU 64 0.024 8.294 -1.608 463 HB2 LEU 64 1HB LEU 64 2.317 8.527 -2.030 464 HB3 LEU 64 2HB LEU 64 2.761 7.575 -0.615 465 HG LEU 64 HG LEU 64 1.951 5.547 -1.747 466 HD11 LEU 64 1HD1 LEU 64 1.797 6.963 -4.346 467 HD12 LEU 64 2HD1 LEU 64 0.416 7.097 -3.259 468 HD13 LEU 64 3HD1 LEU 64 0.966 5.509 -3.793 469 HD21 LEU 64 1HD2 LEU 64 3.704 5.572 -3.597 470 HD22 LEU 64 2HD2 LEU 64 4.259 5.903 -1.957 471 HD23 LEU 64 3HD2 LEU 64 4.039 7.230 -3.098 472 H GLN 65 H GLN 65 -1.164 6.507 -1.897 473 HA GLN 65 HA GLN 65 -1.031 4.418 0.176 474 HB2 GLN 65 1HB GLN 65 -3.394 5.689 -1.167 475 HB3 GLN 65 2HB GLN 65 -3.511 4.057 -0.523 476 HG2 GLN 65 1HG GLN 65 -2.587 5.119 1.651 477 HG3 GLN 65 2HG GLN 65 -3.117 6.636 0.925 478 HE21 GLN 65 1HE2 GLN 65 -4.495 6.640 2.869 479 HE22 GLN 65 2HE2 GLN 65 -6.023 5.839 2.787 480 H ILE 66 H ILE 66 -0.392 2.516 -0.565 481 HA ILE 66 HA ILE 66 -0.539 1.983 -3.440 482 HB ILE 66 HB ILE 66 0.941 0.445 -1.303 483 HG12 ILE 66 1HG1 ILE 66 2.298 2.134 -3.361 484 HG13 ILE 66 2HG1 ILE 66 1.592 2.928 -1.958 485 HG21 ILE 66 1HG2 ILE 66 1.418 0.333 -4.263 486 HG22 ILE 66 2HG2 ILE 66 1.947 -0.793 -3.014 487 HG23 ILE 66 3HG2 ILE 66 0.245 -0.719 -3.471 488 HD11 ILE 66 1HD1 ILE 66 3.864 1.003 -2.096 489 HD12 ILE 66 2HD1 ILE 66 3.764 2.570 -1.292 490 HD13 ILE 66 3HD1 ILE 66 2.933 1.173 -0.608 491 H HIS 67 H HIS 67 -2.713 1.410 -3.642 492 HA HIS 67 HA HIS 67 -3.965 -0.547 -2.001 493 HB2 HIS 67 1HB HIS 67 -4.744 0.364 -4.779 494 HB3 HIS 67 2HB HIS 67 -5.778 -0.480 -3.630 495 HD1 HIS 67 1HD HIS 67 -6.864 0.903 -1.783 496 HD2 HIS 67 2HD HIS 67 -4.269 3.092 -4.177 497 HE1 HIS 67 1HE HIS 67 -7.264 3.312 -1.181 498 HE2 HIS 67 2HE HIS 67 -5.744 4.622 -2.704 499 H ASP 68 H ASP 68 -4.187 -2.712 -2.255 500 HA ASP 68 HA ASP 68 -3.903 -4.822 -3.075 501 HB2 ASP 68 1HB ASP 68 -4.676 -3.698 -5.250 502 HB3 ASP 68 2HB ASP 68 -2.971 -3.648 -5.688 503 H LEU 69 H LEU 69 -1.925 -3.773 -1.544 504 HA LEU 69 HA LEU 69 0.646 -3.614 -2.472 505 HB2 LEU 69 1HB LEU 69 -0.568 -4.555 0.069 506 HB3 LEU 69 2HB LEU 69 1.145 -4.876 -0.191 507 HG LEU 69 HG LEU 69 -0.106 -2.133 -0.280 508 HD11 LEU 69 1HD1 LEU 69 0.196 -1.892 1.923 509 HD12 LEU 69 2HD1 LEU 69 1.712 -2.792 1.914 510 HD13 LEU 69 3HD1 LEU 69 0.175 -3.656 1.962 511 HD21 LEU 69 1HD2 LEU 69 1.902 -2.240 -1.587 512 HD22 LEU 69 2HD2 LEU 69 2.752 -3.093 -0.298 513 HD23 LEU 69 3HD2 LEU 69 2.264 -1.413 -0.073 514 H SER 70 H SER 70 2.427 -5.228 -2.262 515 HA SER 70 HA SER 70 1.794 -8.015 -2.470 516 HB2 SER 70 1HB SER 70 2.341 -6.401 -4.928 517 HB3 SER 70 2HB SER 70 2.972 -8.045 -4.836 518 HG SER 70 HG SER 70 0.257 -7.323 -4.428 519 H VAL 71 H VAL 71 3.600 -9.327 -2.268 520 HA VAL 71 HA VAL 71 5.777 -8.393 -0.870 521 HB VAL 71 HB VAL 71 6.953 -10.510 -1.661 522 HG11 VAL 71 1HG1 VAL 71 5.223 -10.129 0.307 523 HG12 VAL 71 2HG1 VAL 71 4.265 -11.262 -0.648 524 HG13 VAL 71 3HG1 VAL 71 5.865 -11.727 -0.070 525 HG21 VAL 71 1HG2 VAL 71 4.825 -11.980 -2.619 526 HG22 VAL 71 2HG2 VAL 71 4.687 -10.449 -3.484 527 HG23 VAL 71 3HG2 VAL 71 6.184 -11.379 -3.570 528 H ALA 72 H ALA 72 5.196 -8.241 -4.260 529 HA ALA 72 HA ALA 72 7.944 -7.899 -5.034 530 HB1 ALA 72 1HB ALA 72 5.967 -8.762 -6.462 531 HB2 ALA 72 2HB ALA 72 5.624 -7.051 -6.722 532 HB3 ALA 72 3HB ALA 72 7.178 -7.723 -7.214 533 H ASP 73 H ASP 73 5.179 -5.785 -4.424 534 HA ASP 73 HA ASP 73 6.330 -3.377 -5.283 535 HB2 ASP 73 1HB ASP 73 4.074 -4.132 -3.497 536 HB3 ASP 73 2HB ASP 73 4.677 -2.481 -3.382 537 H ALA 74 H ALA 74 6.680 -5.192 -2.327 538 HA ALA 74 HA ALA 74 7.672 -3.257 -0.604 539 HB1 ALA 74 1HB ALA 74 9.112 -5.737 -0.298 540 HB2 ALA 74 2HB ALA 74 7.910 -4.996 0.760 541 HB3 ALA 74 3HB ALA 74 7.395 -6.029 -0.574 542 H GLY 75 H GLY 75 9.131 -1.789 -1.302 543 HA2 GLY 75 1HA GLY 75 11.824 -2.740 -1.833 544 HA3 GLY 75 2HA GLY 75 11.066 -1.865 -3.155 545 H GLU 76 H GLU 76 11.672 0.182 -3.247 546 HA GLU 76 HA GLU 76 11.852 1.723 -0.762 547 HB2 GLU 76 1HB GLU 76 14.136 1.091 -1.187 548 HB3 GLU 76 2HB GLU 76 14.003 1.563 -2.875 549 HG2 GLU 76 1HG GLU 76 14.130 3.804 -2.405 550 HG3 GLU 76 2HG GLU 76 13.527 3.603 -0.761 551 H TYR 77 H TYR 77 10.424 3.304 -0.997 552 HA TYR 77 HA TYR 77 9.905 4.403 -3.658 553 HB2 TYR 77 1HB TYR 77 8.412 4.643 -1.043 554 HB3 TYR 77 2HB TYR 77 7.961 5.517 -2.502 555 HD1 TYR 77 1HD TYR 77 8.201 2.185 -0.951 556 HD2 TYR 77 2HD TYR 77 6.845 4.413 -4.312 557 HE1 TYR 77 1HE TYR 77 6.875 0.250 -1.690 558 HE2 TYR 77 2HE TYR 77 5.513 2.485 -5.060 559 HH TYR 77 HH TYR 77 5.236 -0.429 -3.099 560 H SER 78 H SER 78 10.926 6.182 -4.260 561 HA SER 78 HA SER 78 11.944 8.007 -2.194 562 HB2 SER 78 1HB SER 78 12.745 8.007 -5.103 563 HB3 SER 78 2HB SER 78 13.609 8.706 -3.733 564 HG SER 78 HG SER 78 13.503 6.079 -4.622 565 H CYS 79 H CYS 79 11.557 10.213 -2.294 566 HA CYS 79 HA CYS 79 9.466 11.051 -4.192 567 HB2 CYS 79 1HB CYS 79 8.910 10.778 -1.641 568 HB3 CYS 79 2HB CYS 79 9.740 12.322 -1.494 569 HG CYS 79 HG CYS 79 7.503 12.395 -3.938 570 H MET 80 H MET 80 10.226 12.485 -5.589 571 HA MET 80 HA MET 80 12.510 14.152 -4.849 572 HB2 MET 80 1HB MET 80 11.189 13.778 -7.542 573 HB3 MET 80 2HB MET 80 12.689 14.643 -7.236 574 HG2 MET 80 1HG MET 80 13.607 12.468 -6.339 575 HG3 MET 80 2HG MET 80 12.172 11.697 -7.009 576 HE1 MET 80 1HE MET 80 14.808 10.487 -7.993 577 HE2 MET 80 2HE MET 80 13.211 10.102 -8.634 578 HE3 MET 80 3HE MET 80 14.538 10.477 -9.736 579 H CYS 81 H CYS 81 12.297 16.227 -4.334 580 HA CYS 81 HA CYS 81 9.903 17.675 -5.235 581 HB2 CYS 81 1HB CYS 81 9.554 17.014 -2.901 582 HB3 CYS 81 2HB CYS 81 11.083 17.760 -2.451 583 HG CYS 81 HG CYS 81 8.540 19.582 -3.817 584 H GLY 82 H GLY 82 10.919 18.904 -6.760 585 HA2 GLY 82 1HA GLY 82 12.079 20.729 -7.544 586 HA3 GLY 82 2HA GLY 82 12.380 21.174 -5.871 587 H GLN 83 H GLN 83 14.241 20.370 -4.815 588 HA GLN 83 HA GLN 83 16.287 19.304 -6.648 589 HB2 GLN 83 1HB GLN 83 16.433 21.771 -5.734 590 HB3 GLN 83 2HB GLN 83 17.038 20.975 -4.287 591 HG2 GLN 83 1HG GLN 83 18.213 20.490 -7.005 592 HG3 GLN 83 2HG GLN 83 18.758 21.792 -5.948 593 HE21 GLN 83 1HE2 GLN 83 19.446 18.772 -6.917 594 HE22 GLN 83 2HE2 GLN 83 20.294 18.188 -5.530 595 H GLU 84 H GLU 84 15.039 19.376 -3.355 596 HA GLU 84 HA GLU 84 16.903 17.494 -2.307 597 HB2 GLU 84 1HB GLU 84 14.312 18.659 -1.358 598 HB3 GLU 84 2HB GLU 84 15.005 17.281 -0.515 599 HG2 GLU 84 1HG GLU 84 15.542 19.610 0.365 600 HG3 GLU 84 2HG GLU 84 16.879 18.479 0.163 601 H ARG 85 H ARG 85 15.938 15.439 -1.201 602 HA ARG 85 HA ARG 85 13.834 14.089 -2.580 603 HB2 ARG 85 1HB ARG 85 15.656 13.955 -4.266 604 HB3 ARG 85 2HB ARG 85 16.650 13.113 -3.085 605 HG2 ARG 85 1HG ARG 85 14.838 11.364 -2.979 606 HG3 ARG 85 2HG ARG 85 14.115 12.157 -4.380 607 HD2 ARG 85 1HD ARG 85 15.398 10.587 -5.435 608 HD3 ARG 85 2HD ARG 85 16.554 11.916 -5.347 609 HE ARG 85 HE ARG 85 16.818 10.342 -3.044 610 HH11 ARG 85 2HH1 ARG 85 17.377 10.161 -6.476 611 HH12 ARG 85 1HH1 ARG 85 18.684 9.032 -6.336 612 HH21 ARG 85 2HH2 ARG 85 18.537 8.855 -2.847 613 HH22 ARG 85 1HH2 ARG 85 19.342 8.289 -4.271 614 H THR 86 H THR 86 13.234 12.163 -1.576 615 HA THR 86 HA THR 86 14.825 11.329 0.749 616 HB THR 86 HB THR 86 13.104 12.782 1.651 617 HG1 THR 86 1HG THR 86 13.405 11.127 3.035 618 HG21 THR 86 1HG2 THR 86 11.556 12.021 -0.438 619 HG22 THR 86 2HG2 THR 86 10.935 12.807 1.013 620 HG23 THR 86 3HG2 THR 86 10.853 11.053 0.857 621 H SER 87 H SER 87 14.133 9.198 1.610 622 HA SER 87 HA SER 87 12.703 7.506 -0.289 623 HB2 SER 87 1HB SER 87 14.542 5.806 -0.217 624 HB3 SER 87 2HB SER 87 14.982 7.291 -1.060 625 HG SER 87 HG SER 87 15.688 6.530 1.580 626 H ALA 88 H ALA 88 11.672 5.789 0.640 627 HA ALA 88 HA ALA 88 12.223 5.174 3.450 628 HB1 ALA 88 1HB ALA 88 9.493 5.081 3.421 629 HB2 ALA 88 2HB ALA 88 10.460 6.406 4.071 630 HB3 ALA 88 3HB ALA 88 9.826 6.500 2.428 631 H THR 89 H THR 89 12.704 3.079 3.394 632 HA THR 89 HA THR 89 11.783 1.285 1.398 633 HB THR 89 HB THR 89 13.074 0.692 4.068 634 HG1 THR 89 1HG THR 89 14.329 0.564 1.538 635 HG21 THR 89 1HG2 THR 89 13.622 -1.490 3.107 636 HG22 THR 89 2HG2 THR 89 12.727 -1.078 1.644 637 HG23 THR 89 3HG2 THR 89 11.876 -1.253 3.179 638 H LEU 90 H LEU 90 9.932 0.205 1.271 639 HA LEU 90 HA LEU 90 8.125 0.218 3.563 640 HB2 LEU 90 1HB LEU 90 7.091 0.966 1.585 641 HB3 LEU 90 2HB LEU 90 7.770 -0.356 0.637 642 HG LEU 90 HG LEU 90 6.271 -1.802 2.286 643 HD11 LEU 90 1HD1 LEU 90 5.595 0.486 3.358 644 HD12 LEU 90 2HD1 LEU 90 4.394 -0.783 3.124 645 HD13 LEU 90 3HD1 LEU 90 4.484 0.565 1.990 646 HD21 LEU 90 1HD2 LEU 90 4.923 -2.164 0.490 647 HD22 LEU 90 2HD2 LEU 90 6.225 -1.291 -0.318 648 HD23 LEU 90 3HD2 LEU 90 4.743 -0.446 0.134 649 H THR 91 H THR 91 7.127 -1.660 4.360 650 HA THR 91 HA THR 91 8.564 -4.157 3.730 651 HB THR 91 HB THR 91 7.289 -3.428 6.373 652 HG1 THR 91 1HG THR 91 9.200 -2.195 5.889 653 HG21 THR 91 1HG2 THR 91 8.083 -5.912 5.287 654 HG22 THR 91 2HG2 THR 91 7.575 -5.563 6.939 655 HG23 THR 91 3HG2 THR 91 9.281 -5.477 6.505 656 H VAL 92 H VAL 92 7.369 -5.691 2.829 657 HA VAL 92 HA VAL 92 4.457 -5.661 3.291 658 HB VAL 92 HB VAL 92 5.947 -6.605 0.838 659 HG11 VAL 92 1HG1 VAL 92 4.000 -7.995 1.276 660 HG12 VAL 92 2HG1 VAL 92 2.987 -6.557 1.420 661 HG13 VAL 92 3HG1 VAL 92 3.723 -6.968 -0.130 662 HG21 VAL 92 1HG2 VAL 92 5.776 -4.135 1.146 663 HG22 VAL 92 2HG2 VAL 92 4.966 -4.739 -0.299 664 HG23 VAL 92 3HG2 VAL 92 4.021 -4.305 1.125 665 H ARG 93 H ARG 93 3.598 -7.400 4.221 666 HA ARG 93 HA ARG 93 5.303 -9.722 4.689 667 HB2 ARG 93 1HB ARG 93 2.703 -8.785 5.888 668 HB3 ARG 93 2HB ARG 93 3.347 -10.391 6.202 669 HG2 ARG 93 1HG ARG 93 5.134 -8.063 6.646 670 HG3 ARG 93 2HG ARG 93 3.833 -8.354 7.804 671 HD2 ARG 93 1HD ARG 93 4.747 -10.817 7.713 672 HD3 ARG 93 2HD ARG 93 6.219 -10.021 7.158 673 HE ARG 93 HE ARG 93 5.316 -8.707 9.457 674 HH11 ARG 93 2HH1 ARG 93 6.630 -11.787 8.504 675 HH12 ARG 93 1HH1 ARG 93 7.374 -12.091 10.039 676 HH21 ARG 93 2HH2 ARG 93 6.290 -9.097 11.482 677 HH22 ARG 93 1HH2 ARG 93 7.178 -10.561 11.733 678 H ALA 94 H ALA 94 4.886 -11.748 3.946 679 HA ALA 94 HA ALA 94 3.060 -11.972 1.718 680 HB1 ALA 94 1HB ALA 94 4.610 -13.394 1.017 681 HB2 ALA 94 2HB ALA 94 5.444 -13.282 2.567 682 HB3 ALA 94 3HB ALA 94 4.183 -14.491 2.330 683 H LEU 95 H LEU 95 1.236 -13.222 1.595 684 HA LEU 95 HA LEU 95 -0.379 -13.534 3.807 685 HB2 LEU 95 1HB LEU 95 -0.385 -15.011 1.185 686 HB3 LEU 95 2HB LEU 95 -1.662 -15.172 2.388 687 HG LEU 95 HG LEU 95 -1.060 -12.930 0.534 688 HD11 LEU 95 1HD1 LEU 95 -3.653 -12.861 0.793 689 HD12 LEU 95 2HD1 LEU 95 -3.434 -14.467 1.486 690 HD13 LEU 95 3HD1 LEU 95 -2.893 -14.136 -0.159 691 HD21 LEU 95 1HD2 LEU 95 -2.372 -11.389 1.966 692 HD22 LEU 95 2HD2 LEU 95 -0.804 -11.818 2.652 693 HD23 LEU 95 3HD2 LEU 95 -2.274 -12.572 3.271 694 HA PRO 96 HA PRO 96 0.932 -17.124 5.966 695 HB2 PRO 96 1HB PRO 96 -1.440 -18.110 6.844 696 HB3 PRO 96 2HB PRO 96 -0.702 -16.649 7.509 697 HG2 PRO 96 1HG PRO 96 -2.883 -16.911 5.476 698 HG3 PRO 96 2HG PRO 96 -2.763 -15.798 6.850 699 HD2 PRO 96 1HD PRO 96 -2.191 -15.047 4.313 700 HD3 PRO 96 2HD PRO 96 -1.361 -14.358 5.723 701 H ALA 97 H ALA 97 1.753 -18.775 4.824 702 HA ALA 97 HA ALA 97 0.376 -20.111 2.730 703 HB1 ALA 97 1HB ALA 97 2.355 -21.814 3.206 704 HB2 ALA 97 2HB ALA 97 2.620 -20.271 2.393 705 HB3 ALA 97 3HB ALA 97 2.981 -20.435 4.111 706 H ARG 98 H ARG 98 0.047 -22.506 2.703 707 HA ARG 98 HA ARG 98 -1.400 -23.285 5.117 708 HB2 ARG 98 1HB ARG 98 -2.551 -23.399 2.929 709 HB3 ARG 98 2HB ARG 98 -1.362 -24.574 2.383 710 HG2 ARG 98 1HG ARG 98 -2.158 -25.871 4.533 711 HG3 ARG 98 2HG ARG 98 -3.608 -24.893 4.296 712 HD2 ARG 98 1HD ARG 98 -2.356 -26.539 2.110 713 HD3 ARG 98 2HD ARG 98 -3.607 -27.162 3.186 714 HE ARG 98 HE ARG 98 -4.494 -24.751 2.057 715 HH11 ARG 98 2HH1 ARG 98 -3.794 -28.037 1.144 716 HH12 ARG 98 1HH1 ARG 98 -4.938 -28.057 -0.157 717 HH21 ARG 98 2HH2 ARG 98 -6.003 -24.765 0.347 718 HH22 ARG 98 1HH2 ARG 98 -6.193 -26.195 -0.610 719 H PHE 99 H PHE 99 -1.004 -25.160 6.254 720 HA PHE 99 HA PHE 99 1.409 -26.670 5.508 721 HB2 PHE 99 1HB PHE 99 1.812 -25.031 7.382 722 HB3 PHE 99 2HB PHE 99 0.661 -25.950 8.345 723 HD1 PHE 99 1HD PHE 99 3.870 -26.227 6.512 724 HD2 PHE 99 2HD PHE 99 1.338 -27.842 9.528 725 HE1 PHE 99 1HE PHE 99 5.678 -27.742 7.213 726 HE2 PHE 99 2HE PHE 99 3.142 -29.359 10.235 727 HZ PHE 99 HZ PHE 99 5.315 -29.310 9.078 728 H THR 100 H THR 100 1.202 -28.823 5.541 729 HA THR 100 HA THR 100 -1.221 -29.951 6.787 730 HB THR 100 HB THR 100 -1.308 -30.072 4.331 731 HG1 THR 100 1HG THR 100 -0.876 -32.614 5.554 732 HG21 THR 100 1HG2 THR 100 0.311 -31.012 3.007 733 HG22 THR 100 2HG2 THR 100 0.902 -32.067 4.291 734 HG23 THR 100 3HG2 THR 100 1.322 -30.355 4.293 735 H GLU 101 H GLU 101 -1.057 -31.979 7.795 736 HA GLU 101 HA GLU 101 1.609 -33.129 8.109 737 HB2 GLU 101 1HB GLU 101 1.329 -31.493 9.949 738 HB3 GLU 101 2HB GLU 101 -0.118 -32.349 10.465 739 HG2 GLU 101 1HG GLU 101 1.862 -32.901 11.812 740 HG3 GLU 101 2HG GLU 101 1.165 -34.305 11.006 741 H GLY 102 H GLY 102 1.540 -35.279 8.001 742 HA2 GLY 102 1HA GLY 102 0.505 -37.326 8.950 743 HA3 GLY 102 2HA GLY 102 -1.046 -36.600 8.555 744 H SER 103 H SER 103 0.150 -39.162 7.707 745 HA SER 103 HA SER 103 0.242 -38.703 4.798 746 HB2 SER 103 1HB SER 103 1.567 -40.731 6.565 747 HB3 SER 103 2HB SER 103 1.236 -41.131 4.879 748 HG SER 103 HG SER 103 3.321 -40.184 5.215 749 H GLY 104 H GLY 104 -0.818 -41.134 7.189 750 HA2 GLY 104 1HA GLY 104 -3.440 -41.304 6.131 751 HA3 GLY 104 2HA GLY 104 -2.460 -42.620 5.502 752 HA PRO 105 HA PRO 105 -2.587 -43.254 10.294 753 HB2 PRO 105 1HB PRO 105 -4.252 -41.632 11.697 754 HB3 PRO 105 2HB PRO 105 -2.557 -41.236 11.392 755 HG2 PRO 105 1HG PRO 105 -5.011 -40.277 9.970 756 HG3 PRO 105 2HG PRO 105 -3.581 -39.359 10.479 757 HD2 PRO 105 1HD PRO 105 -3.945 -40.195 7.929 758 HD3 PRO 105 2HD PRO 105 -2.336 -40.051 8.667 759 H SER 106 H SER 106 -4.036 -44.531 11.528 760 HA SER 106 HA SER 106 -6.695 -44.887 10.306 761 HB2 SER 106 1HB SER 106 -4.946 -47.061 11.483 762 HB3 SER 106 2HB SER 106 -6.517 -47.282 10.714 763 HG SER 106 HG SER 106 -5.291 -46.104 8.881 764 H SER 107 H SER 107 -8.403 -44.889 11.639 765 HA SER 107 HA SER 107 -7.933 -45.156 14.529 766 HB2 SER 107 1HB SER 107 -9.410 -43.282 14.994 767 HB3 SER 107 2HB SER 107 -8.110 -42.747 13.928 768 HG SER 107 HG SER 107 -10.453 -43.674 12.737 769 H GLY 108 H GLY 108 -9.974 -45.548 15.753 770 HA2 GLY 108 1HA GLY 108 -11.921 -46.717 16.105 771 HA3 GLY 108 2HA GLY 108 -12.341 -46.374 14.433 Start of MODEL 9 1 H1 GLY 1 H GLY 1 30.853 33.256 8.594 2 HA2 GLY 1 1HA GLY 1 29.497 35.020 7.835 3 HA3 GLY 1 2HA GLY 1 30.043 34.306 6.325 4 H SER 2 H SER 2 27.595 35.745 6.780 5 HA SER 2 HA SER 2 25.347 34.169 7.156 6 HB2 SER 2 1HB SER 2 25.137 36.566 7.009 7 HB3 SER 2 2HB SER 2 25.744 36.566 5.353 8 HG SER 2 HG SER 2 23.278 36.512 6.000 9 H SER 3 H SER 3 24.863 32.324 6.178 10 HA SER 3 HA SER 3 25.305 32.122 3.271 11 HB2 SER 3 1HB SER 3 26.790 30.642 4.656 12 HB3 SER 3 2HB SER 3 25.341 29.821 5.236 13 HG SER 3 HG SER 3 26.595 29.041 3.237 14 H GLY 4 H GLY 4 23.498 31.975 2.127 15 HA2 GLY 4 1HA GLY 4 21.423 30.204 2.488 16 HA3 GLY 4 2HA GLY 4 20.950 31.642 3.379 17 H SER 5 H SER 5 19.706 30.456 1.027 18 HA SER 5 HA SER 5 19.371 32.856 -0.496 19 HB2 SER 5 1HB SER 5 20.235 32.186 -2.585 20 HB3 SER 5 2HB SER 5 21.490 31.731 -1.433 21 HG SER 5 HG SER 5 19.497 29.993 -2.469 22 H SER 6 H SER 6 17.313 32.942 -1.105 23 HA SER 6 HA SER 6 15.437 30.993 -0.542 24 HB2 SER 6 1HB SER 6 15.207 33.102 -2.702 25 HB3 SER 6 2HB SER 6 13.874 32.285 -1.886 26 HG SER 6 HG SER 6 14.211 34.284 -0.925 27 H GLY 7 H GLY 7 15.627 28.961 -1.292 28 HA2 GLY 7 1HA GLY 7 15.866 28.621 -4.219 29 HA3 GLY 7 2HA GLY 7 16.567 27.501 -3.060 30 HA PRO 8 HA PRO 8 12.541 25.696 -4.370 31 HB2 PRO 8 1HB PRO 8 13.461 23.142 -4.432 32 HB3 PRO 8 2HB PRO 8 13.626 24.256 -5.794 33 HG2 PRO 8 1HG PRO 8 15.638 23.502 -3.710 34 HG3 PRO 8 2HG PRO 8 15.857 23.692 -5.459 35 HD2 PRO 8 1HD PRO 8 16.580 25.604 -3.684 36 HD3 PRO 8 2HD PRO 8 16.003 25.988 -5.318 37 H ALA 9 H ALA 9 11.263 23.967 -3.296 38 HA ALA 9 HA ALA 9 11.363 24.271 -0.463 39 HB1 ALA 9 1HB ALA 9 9.230 24.089 -1.549 40 HB2 ALA 9 2HB ALA 9 9.654 22.511 -2.213 41 HB3 ALA 9 3HB ALA 9 9.436 22.705 -0.474 42 H ARG 10 H ARG 10 12.252 23.004 1.048 43 HA ARG 10 HA ARG 10 13.494 20.487 0.159 44 HB2 ARG 10 1HB ARG 10 15.109 20.769 1.936 45 HB3 ARG 10 2HB ARG 10 15.050 22.238 0.971 46 HG2 ARG 10 1HG ARG 10 15.049 23.146 3.054 47 HG3 ARG 10 2HG ARG 10 13.310 22.964 2.816 48 HD2 ARG 10 1HD ARG 10 13.308 20.909 4.074 49 HD3 ARG 10 2HD ARG 10 15.066 20.943 4.202 50 HE ARG 10 HE ARG 10 13.183 22.407 5.802 51 HH11 ARG 10 2HH1 ARG 10 16.445 22.323 4.588 52 HH12 ARG 10 1HH1 ARG 10 17.085 23.299 5.868 53 HH21 ARG 10 2HH2 ARG 10 14.015 23.692 7.494 54 HH22 ARG 10 1HH2 ARG 10 15.702 24.076 7.521 55 H PHE 11 H PHE 11 13.598 18.743 1.763 56 HA PHE 11 HA PHE 11 11.028 18.343 2.980 57 HB2 PHE 11 1HB PHE 11 13.510 16.665 2.712 58 HB3 PHE 11 2HB PHE 11 12.175 16.149 3.736 59 HD1 PHE 11 2HD PHE 11 13.150 16.960 0.274 60 HD2 PHE 11 1HD PHE 11 10.199 15.239 2.814 61 HE1 PHE 11 2HE PHE 11 12.014 16.014 -1.692 62 HE2 PHE 11 1HE PHE 11 9.059 14.290 0.851 63 HZ PHE 11 HZ PHE 11 9.965 14.678 -1.406 64 H THR 12 H THR 12 10.517 18.221 5.131 65 HA THR 12 HA THR 12 12.585 19.180 7.000 66 HB THR 12 HB THR 12 10.788 20.133 8.359 67 HG1 THR 12 1HG THR 12 9.176 18.899 6.397 68 HG21 THR 12 1HG2 THR 12 11.111 20.922 5.506 69 HG22 THR 12 2HG2 THR 12 11.540 21.798 6.975 70 HG23 THR 12 3HG2 THR 12 9.857 21.720 6.454 71 H GLN 13 H GLN 13 10.269 16.714 6.316 72 HA GLN 13 HA GLN 13 11.083 15.312 8.763 73 HB2 GLN 13 1HB GLN 13 8.325 15.947 7.846 74 HB3 GLN 13 2HB GLN 13 8.597 14.363 8.559 75 HG2 GLN 13 1HG GLN 13 9.089 17.041 9.835 76 HG3 GLN 13 2HG GLN 13 7.852 15.860 10.264 77 HE21 GLN 13 1HE2 GLN 13 10.983 16.956 10.840 78 HE22 GLN 13 2HE2 GLN 13 11.513 15.674 11.870 79 H ASP 14 H ASP 14 12.255 13.667 8.017 80 HA ASP 14 HA ASP 14 12.448 12.533 5.602 81 HB2 ASP 14 1HB ASP 14 13.505 11.876 7.937 82 HB3 ASP 14 2HB ASP 14 12.282 10.610 7.882 83 H LEU 15 H LEU 15 11.562 10.689 4.522 84 HA LEU 15 HA LEU 15 8.771 10.679 4.366 85 HB2 LEU 15 1HB LEU 15 10.691 9.796 2.762 86 HB3 LEU 15 2HB LEU 15 10.278 8.261 3.524 87 HG LEU 15 HG LEU 15 8.237 10.003 2.158 88 HD11 LEU 15 1HD1 LEU 15 10.227 8.134 1.021 89 HD12 LEU 15 2HD1 LEU 15 9.447 9.542 0.301 90 HD13 LEU 15 3HD1 LEU 15 8.575 8.014 0.414 91 HD21 LEU 15 1HD2 LEU 15 8.201 7.502 3.621 92 HD22 LEU 15 2HD2 LEU 15 7.538 7.327 1.996 93 HD23 LEU 15 3HD2 LEU 15 6.863 8.526 3.100 94 H LYS 16 H LYS 16 7.242 9.035 4.886 95 HA LYS 16 HA LYS 16 8.046 7.336 7.157 96 HB2 LYS 16 1HB LYS 16 6.680 9.120 8.011 97 HB3 LYS 16 2HB LYS 16 5.483 8.880 6.745 98 HG2 LYS 16 1HG LYS 16 6.072 6.602 8.554 99 HG3 LYS 16 2HG LYS 16 5.133 7.955 9.189 100 HD2 LYS 16 1HD LYS 16 3.358 7.550 7.805 101 HD3 LYS 16 2HD LYS 16 4.366 6.840 6.541 102 HE2 LYS 16 1HE LYS 16 3.257 4.988 7.352 103 HE3 LYS 16 2HE LYS 16 4.749 4.950 8.291 104 HZ1 LYS 16 1HZ LYS 16 2.133 5.056 9.239 105 HZ2 LYS 16 2HZ LYS 16 2.855 6.534 9.635 106 HZ3 LYS 16 3HZ LYS 16 3.565 5.084 10.140 107 H THR 17 H THR 17 6.908 5.342 7.401 108 HA THR 17 HA THR 17 5.034 4.412 5.476 109 HB THR 17 HB THR 17 6.930 4.309 3.984 110 HG1 THR 17 1HG THR 17 6.615 1.638 4.856 111 HG21 THR 17 1HG2 THR 17 8.763 2.563 4.720 112 HG22 THR 17 2HG2 THR 17 8.262 3.054 6.338 113 HG23 THR 17 3HG2 THR 17 8.878 4.254 5.202 114 H LYS 18 H LYS 18 4.913 1.882 5.631 115 HA LYS 18 HA LYS 18 5.708 0.869 8.237 116 HB2 LYS 18 1HB LYS 18 3.642 0.668 9.180 117 HB3 LYS 18 2HB LYS 18 3.338 2.095 8.198 118 HG2 LYS 18 1HG LYS 18 2.680 -0.735 7.406 119 HG3 LYS 18 2HG LYS 18 1.533 0.450 8.037 120 HD2 LYS 18 1HD LYS 18 3.169 1.188 5.662 121 HD3 LYS 18 2HD LYS 18 1.831 0.058 5.439 122 HE2 LYS 18 1HE LYS 18 0.764 2.059 5.087 123 HE3 LYS 18 2HE LYS 18 0.500 1.848 6.817 124 HZ1 LYS 18 1HZ LYS 18 2.943 3.229 6.119 125 HZ2 LYS 18 2HZ LYS 18 1.796 3.591 7.308 126 HZ3 LYS 18 3HZ LYS 18 1.526 4.056 5.704 127 H GLU 19 H GLU 19 4.583 -1.455 8.452 128 HA GLU 19 HA GLU 19 5.062 -2.804 5.877 129 HB2 GLU 19 1HB GLU 19 5.972 -4.656 7.033 130 HB3 GLU 19 2HB GLU 19 6.689 -3.234 7.778 131 HG2 GLU 19 1HG GLU 19 4.626 -3.510 9.414 132 HG3 GLU 19 2HG GLU 19 4.755 -5.186 8.882 133 H ALA 20 H ALA 20 3.195 -3.380 4.983 134 HA ALA 20 HA ALA 20 1.032 -4.352 6.727 135 HB1 ALA 20 1HB ALA 20 -0.137 -3.948 4.290 136 HB2 ALA 20 2HB ALA 20 -0.134 -2.794 5.623 137 HB3 ALA 20 3HB ALA 20 1.071 -2.664 4.343 138 H SER 21 H SER 21 -0.421 -5.999 5.630 139 HA SER 21 HA SER 21 1.258 -8.167 4.688 140 HB2 SER 21 1HB SER 21 -0.750 -9.559 4.981 141 HB3 SER 21 2HB SER 21 -0.422 -8.607 6.428 142 HG SER 21 HG SER 21 -2.217 -7.531 6.133 143 H GLU 22 H GLU 22 0.313 -9.604 2.921 144 HA GLU 22 HA GLU 22 0.241 -8.165 0.513 145 HB2 GLU 22 1HB GLU 22 -0.235 -11.007 1.287 146 HB3 GLU 22 2HB GLU 22 -0.719 -10.489 -0.321 147 HG2 GLU 22 1HG GLU 22 1.583 -9.689 -0.716 148 HG3 GLU 22 2HG GLU 22 2.043 -10.329 0.860 149 H GLY 23 H GLY 23 -1.354 -7.170 -0.535 150 HA2 GLY 23 1HA GLY 23 -3.552 -6.995 -1.403 151 HA3 GLY 23 2HA GLY 23 -4.120 -8.031 -0.102 152 H ALA 24 H ALA 24 -2.407 -6.274 1.752 153 HA ALA 24 HA ALA 24 -4.526 -4.592 2.608 154 HB1 ALA 24 1HB ALA 24 -3.140 -5.329 4.323 155 HB2 ALA 24 2HB ALA 24 -1.668 -4.925 3.440 156 HB3 ALA 24 3HB ALA 24 -2.669 -3.642 4.120 157 H THR 25 H THR 25 -3.611 -2.195 3.277 158 HA THR 25 HA THR 25 -2.681 -0.957 0.771 159 HB THR 25 HB THR 25 -4.813 0.158 2.603 160 HG1 THR 25 1HG THR 25 -6.238 -0.627 1.205 161 HG21 THR 25 1HG2 THR 25 -3.097 1.545 0.971 162 HG22 THR 25 2HG2 THR 25 -4.691 2.099 1.482 163 HG23 THR 25 3HG2 THR 25 -4.494 1.291 -0.073 164 H ALA 26 H ALA 26 -0.839 0.096 1.064 165 HA ALA 26 HA ALA 26 0.093 0.766 3.709 166 HB1 ALA 26 1HB ALA 26 2.001 0.287 2.668 167 HB2 ALA 26 2HB ALA 26 1.258 0.446 1.075 168 HB3 ALA 26 3HB ALA 26 1.879 1.873 1.906 169 H THR 27 H THR 27 1.417 3.044 3.601 170 HA THR 27 HA THR 27 0.041 5.207 2.365 171 HB THR 27 HB THR 27 -0.515 4.690 5.286 172 HG1 THR 27 1HG THR 27 -2.373 4.113 4.476 173 HG21 THR 27 1HG2 THR 27 -0.339 7.229 3.798 174 HG22 THR 27 2HG2 THR 27 -0.211 6.917 5.529 175 HG23 THR 27 3HG2 THR 27 -1.797 7.014 4.765 176 H LEU 28 H LEU 28 1.877 6.237 1.842 177 HA LEU 28 HA LEU 28 3.948 6.601 3.880 178 HB2 LEU 28 1HB LEU 28 4.055 7.299 0.952 179 HB3 LEU 28 2HB LEU 28 5.407 7.244 2.082 180 HG LEU 28 HG LEU 28 4.623 4.704 2.274 181 HD11 LEU 28 1HD1 LEU 28 3.199 4.028 0.719 182 HD12 LEU 28 2HD1 LEU 28 4.280 4.608 -0.548 183 HD13 LEU 28 3HD1 LEU 28 3.060 5.685 0.131 184 HD21 LEU 28 1HD2 LEU 28 6.858 5.473 1.684 185 HD22 LEU 28 2HD2 LEU 28 6.315 5.831 0.045 186 HD23 LEU 28 3HD2 LEU 28 6.344 4.164 0.620 187 H GLN 29 H GLN 29 4.020 8.423 5.000 188 HA GLN 29 HA GLN 29 2.793 10.836 3.841 189 HB2 GLN 29 1HB GLN 29 2.947 9.800 6.646 190 HB3 GLN 29 2HB GLN 29 2.805 11.530 6.369 191 HG2 GLN 29 1HG GLN 29 0.728 11.236 5.212 192 HG3 GLN 29 2HG GLN 29 0.896 9.482 5.272 193 HE21 GLN 29 1HE2 GLN 29 0.491 8.398 7.183 194 HE22 GLN 29 2HE2 GLN 29 -0.303 9.143 8.523 195 H CYS 30 H CYS 30 4.030 12.572 3.500 196 HA CYS 30 HA CYS 30 6.617 12.765 4.874 197 HB2 CYS 30 1HB CYS 30 7.798 13.254 2.864 198 HB3 CYS 30 2HB CYS 30 6.868 11.793 2.552 199 HG CYS 30 HG CYS 30 5.383 12.711 0.630 200 H GLU 31 H GLU 31 7.513 14.917 4.928 201 HA GLU 31 HA GLU 31 5.464 17.008 4.581 202 HB2 GLU 31 1HB GLU 31 6.335 16.258 6.969 203 HB3 GLU 31 2HB GLU 31 7.666 17.333 6.567 204 HG2 GLU 31 1HG GLU 31 6.204 19.196 6.358 205 HG3 GLU 31 2HG GLU 31 4.780 18.164 6.467 206 H LEU 32 H LEU 32 6.334 19.202 4.246 207 HA LEU 32 HA LEU 32 9.002 19.265 3.037 208 HB2 LEU 32 1HB LEU 32 6.455 20.186 1.720 209 HB3 LEU 32 2HB LEU 32 8.067 20.617 1.152 210 HG LEU 32 HG LEU 32 7.242 17.745 1.401 211 HD11 LEU 32 1HD1 LEU 32 5.935 17.785 -0.401 212 HD12 LEU 32 2HD1 LEU 32 7.034 18.851 -1.277 213 HD13 LEU 32 3HD1 LEU 32 5.846 19.531 -0.165 214 HD21 LEU 32 1HD2 LEU 32 9.346 19.299 -0.059 215 HD22 LEU 32 2HD2 LEU 32 8.863 17.692 -0.602 216 HD23 LEU 32 3HD2 LEU 32 9.529 17.913 1.016 217 H SER 33 H SER 33 9.742 21.516 2.615 218 HA SER 33 HA SER 33 9.220 23.139 4.922 219 HB2 SER 33 1HB SER 33 11.486 22.958 3.996 220 HB3 SER 33 2HB SER 33 10.938 23.690 2.488 221 HG SER 33 HG SER 33 10.507 25.057 4.896 222 H LYS 34 H LYS 34 8.148 23.062 1.634 223 HA LYS 34 HA LYS 34 6.338 25.278 2.175 224 HB2 LYS 34 1HB LYS 34 7.834 25.323 -0.422 225 HB3 LYS 34 2HB LYS 34 6.967 26.626 0.380 226 HG2 LYS 34 1HG LYS 34 8.755 26.547 2.162 227 HG3 LYS 34 2HG LYS 34 9.658 25.489 1.076 228 HD2 LYS 34 1HD LYS 34 9.212 27.390 -0.665 229 HD3 LYS 34 2HD LYS 34 8.965 28.380 0.776 230 HE2 LYS 34 1HE LYS 34 11.407 26.666 0.424 231 HE3 LYS 34 2HE LYS 34 11.318 28.301 -0.230 232 HZ1 LYS 34 1HZ LYS 34 11.949 29.011 1.757 233 HZ2 LYS 34 2HZ LYS 34 11.814 27.467 2.435 234 HZ3 LYS 34 3HZ LYS 34 10.467 28.490 2.385 235 H VAL 35 H VAL 35 4.996 25.605 -0.033 236 HA VAL 35 HA VAL 35 3.880 22.963 -0.579 237 HB VAL 35 HB VAL 35 2.774 25.642 -1.421 238 HG11 VAL 35 1HG1 VAL 35 2.034 22.962 -1.993 239 HG12 VAL 35 2HG1 VAL 35 0.793 23.663 -0.951 240 HG13 VAL 35 3HG1 VAL 35 1.221 24.453 -2.469 241 HG21 VAL 35 1HG2 VAL 35 1.545 25.785 0.547 242 HG22 VAL 35 2HG2 VAL 35 1.800 24.087 0.947 243 HG23 VAL 35 3HG2 VAL 35 3.126 25.238 1.106 244 H ALA 36 H ALA 36 5.125 22.011 -2.126 245 HA ALA 36 HA ALA 36 5.128 23.311 -4.759 246 HB1 ALA 36 1HB ALA 36 7.339 23.682 -3.880 247 HB2 ALA 36 2HB ALA 36 7.504 21.974 -3.472 248 HB3 ALA 36 3HB ALA 36 7.421 22.473 -5.162 249 HA PRO 37 HA PRO 37 3.613 19.440 -6.194 250 HB2 PRO 37 1HB PRO 37 4.405 19.568 -8.788 251 HB3 PRO 37 2HB PRO 37 3.074 20.535 -8.141 252 HG2 PRO 37 1HG PRO 37 5.918 21.322 -8.641 253 HG3 PRO 37 2HG PRO 37 4.431 22.225 -8.982 254 HD2 PRO 37 1HD PRO 37 5.977 22.730 -6.817 255 HD3 PRO 37 2HD PRO 37 4.214 22.939 -6.801 256 H VAL 38 H VAL 38 4.563 17.620 -5.506 257 HA VAL 38 HA VAL 38 7.314 17.039 -6.373 258 HB VAL 38 HB VAL 38 7.540 15.569 -4.519 259 HG11 VAL 38 1HG1 VAL 38 7.738 17.968 -4.016 260 HG12 VAL 38 2HG1 VAL 38 6.033 18.001 -3.563 261 HG13 VAL 38 3HG1 VAL 38 7.177 17.040 -2.625 262 HG21 VAL 38 1HG2 VAL 38 5.457 14.422 -4.523 263 HG22 VAL 38 2HG2 VAL 38 5.617 15.188 -2.942 264 HG23 VAL 38 3HG2 VAL 38 4.568 15.903 -4.166 265 H GLU 39 H GLU 39 7.669 14.518 -6.428 266 HA GLU 39 HA GLU 39 5.424 13.123 -7.653 267 HB2 GLU 39 1HB GLU 39 6.747 14.392 -9.440 268 HB3 GLU 39 2HB GLU 39 8.054 13.262 -9.115 269 HG2 GLU 39 1HG GLU 39 7.057 12.198 -10.851 270 HG3 GLU 39 2HG GLU 39 6.157 11.481 -9.516 271 H TRP 40 H TRP 40 5.409 11.017 -7.150 272 HA TRP 40 HA TRP 40 7.594 9.983 -5.539 273 HB2 TRP 40 1HB TRP 40 4.929 8.736 -6.249 274 HB3 TRP 40 2HB TRP 40 6.080 8.105 -5.075 275 HD1 TRP 40 HD TRP 40 4.096 11.411 -5.593 276 HE1 TRP 40 1HE TRP 40 3.345 12.246 -3.277 277 HE3 TRP 40 3HE TRP 40 6.253 7.798 -2.689 278 HZ2 TRP 40 2HZ TRP 40 3.629 11.475 -0.577 279 HZ3 TRP 40 3HZ TRP 40 5.966 7.920 -0.248 280 HH2 TRP 40 HH TRP 40 4.682 9.722 0.784 281 H LYS 41 H LYS 41 8.811 8.166 -6.014 282 HA LYS 41 HA LYS 41 8.510 7.023 -8.703 283 HB2 LYS 41 1HB LYS 41 10.878 8.396 -7.538 284 HB3 LYS 41 2HB LYS 41 11.175 6.967 -8.520 285 HG2 LYS 41 1HG LYS 41 9.535 8.228 -10.177 286 HG3 LYS 41 2HG LYS 41 10.148 9.633 -9.304 287 HD2 LYS 41 1HD LYS 41 12.434 8.987 -9.835 288 HD3 LYS 41 2HD LYS 41 11.849 7.539 -10.658 289 HE2 LYS 41 1HE LYS 41 10.958 8.755 -12.426 290 HE3 LYS 41 2HE LYS 41 10.897 10.251 -11.495 291 HZ1 LYS 41 1HZ LYS 41 13.532 9.093 -11.955 292 HZ2 LYS 41 2HZ LYS 41 13.053 10.715 -11.924 293 HZ3 LYS 41 3HZ LYS 41 12.758 9.773 -13.298 294 H LYS 42 H LYS 42 9.096 4.874 -8.918 295 HA LYS 42 HA LYS 42 9.622 3.468 -6.384 296 HB2 LYS 42 1HB LYS 42 7.435 2.998 -7.506 297 HB3 LYS 42 2HB LYS 42 8.327 2.356 -8.879 298 HG2 LYS 42 1HG LYS 42 9.121 0.526 -7.651 299 HG3 LYS 42 2HG LYS 42 8.697 1.270 -6.108 300 HD2 LYS 42 1HD LYS 42 6.442 0.811 -6.358 301 HD3 LYS 42 2HD LYS 42 6.559 0.684 -8.115 302 HE2 LYS 42 1HE LYS 42 6.208 -1.490 -6.920 303 HE3 LYS 42 2HE LYS 42 7.625 -1.440 -7.968 304 HZ1 LYS 42 1HZ LYS 42 8.313 -2.448 -5.977 305 HZ2 LYS 42 2HZ LYS 42 7.545 -1.291 -5.012 306 HZ3 LYS 42 3HZ LYS 42 8.920 -0.871 -5.904 307 H GLY 43 H GLY 43 11.511 4.638 -8.461 308 HA2 GLY 43 1HA GLY 43 13.731 3.275 -8.288 309 HA3 GLY 43 2HA GLY 43 12.858 2.193 -9.363 310 HA PRO 44 HA PRO 44 15.150 4.875 -12.222 311 HB2 PRO 44 1HB PRO 44 15.186 3.050 -14.231 312 HB3 PRO 44 2HB PRO 44 16.342 3.030 -12.894 313 HG2 PRO 44 1HG PRO 44 13.859 1.402 -13.276 314 HG3 PRO 44 2HG PRO 44 15.454 0.890 -12.695 315 HD2 PRO 44 1HD PRO 44 13.382 1.378 -11.022 316 HD3 PRO 44 2HD PRO 44 15.070 1.679 -10.564 317 H GLU 45 H GLU 45 12.011 3.941 -11.986 318 HA GLU 45 HA GLU 45 11.291 5.209 -14.548 319 HB2 GLU 45 1HB GLU 45 10.133 2.871 -13.107 320 HB3 GLU 45 2HB GLU 45 9.036 3.913 -14.002 321 HG2 GLU 45 1HG GLU 45 11.363 2.342 -15.066 322 HG3 GLU 45 2HG GLU 45 9.652 2.136 -15.437 323 H THR 46 H THR 46 8.923 6.075 -14.397 324 HA THR 46 HA THR 46 8.739 7.656 -11.917 325 HB THR 46 HB THR 46 7.490 8.485 -14.524 326 HG1 THR 46 1HG THR 46 9.424 8.868 -15.271 327 HG21 THR 46 1HG2 THR 46 6.934 9.549 -12.264 328 HG22 THR 46 2HG2 THR 46 7.410 10.635 -13.570 329 HG23 THR 46 3HG2 THR 46 8.568 10.210 -12.310 330 H LEU 47 H LEU 47 6.848 7.727 -10.809 331 HA LEU 47 HA LEU 47 4.737 5.907 -11.711 332 HB2 LEU 47 1HB LEU 47 5.418 7.074 -9.025 333 HB3 LEU 47 2HB LEU 47 3.922 6.195 -9.329 334 HG LEU 47 HG LEU 47 6.704 5.058 -9.604 335 HD11 LEU 47 1HD1 LEU 47 6.628 4.829 -7.396 336 HD12 LEU 47 2HD1 LEU 47 5.299 3.694 -7.634 337 HD13 LEU 47 3HD1 LEU 47 4.960 5.397 -7.326 338 HD21 LEU 47 1HD2 LEU 47 5.062 2.939 -9.469 339 HD22 LEU 47 2HD2 LEU 47 5.583 3.669 -10.988 340 HD23 LEU 47 3HD2 LEU 47 4.009 4.081 -10.305 341 H ARG 48 H ARG 48 2.471 6.617 -10.872 342 HA ARG 48 HA ARG 48 2.016 9.479 -11.046 343 HB2 ARG 48 1HB ARG 48 1.285 7.546 -13.196 344 HB3 ARG 48 2HB ARG 48 0.152 8.838 -12.825 345 HG2 ARG 48 1HG ARG 48 3.046 9.365 -13.419 346 HG3 ARG 48 2HG ARG 48 1.818 9.267 -14.682 347 HD2 ARG 48 1HD ARG 48 1.399 11.058 -12.327 348 HD3 ARG 48 2HD ARG 48 2.445 11.576 -13.649 349 HE ARG 48 HE ARG 48 -0.383 11.538 -13.655 350 HH11 ARG 48 2HH1 ARG 48 2.370 10.929 -15.697 351 HH12 ARG 48 1HH1 ARG 48 1.527 11.299 -17.165 352 HH21 ARG 48 2HH2 ARG 48 -1.503 12.028 -15.580 353 HH22 ARG 48 1HH2 ARG 48 -0.676 11.926 -17.097 354 H ASP 49 H ASP 49 -0.318 10.010 -10.717 355 HA ASP 49 HA ASP 49 -1.429 8.188 -8.719 356 HB2 ASP 49 1HB ASP 49 -2.675 10.042 -7.893 357 HB3 ASP 49 2HB ASP 49 -1.057 10.647 -8.236 358 H GLY 50 H GLY 50 -3.555 7.439 -8.774 359 HA2 GLY 50 1HA GLY 50 -5.757 7.756 -10.005 360 HA3 GLY 50 2HA GLY 50 -4.787 7.536 -11.454 361 H GLY 51 H GLY 51 -3.453 5.449 -11.447 362 HA2 GLY 51 1HA GLY 51 -5.210 3.266 -11.348 363 HA3 GLY 51 2HA GLY 51 -3.463 3.156 -11.510 364 H ARG 52 H ARG 52 -2.725 1.748 -10.069 365 HA ARG 52 HA ARG 52 -4.057 1.346 -7.541 366 HB2 ARG 52 1HB ARG 52 -1.589 0.108 -8.765 367 HB3 ARG 52 2HB ARG 52 -2.217 -0.337 -7.184 368 HG2 ARG 52 1HG ARG 52 -4.335 -1.014 -8.246 369 HG3 ARG 52 2HG ARG 52 -3.636 -0.637 -9.822 370 HD2 ARG 52 1HD ARG 52 -2.547 -2.660 -7.866 371 HD3 ARG 52 2HD ARG 52 -3.526 -3.040 -9.283 372 HE ARG 52 HE ARG 52 -1.262 -1.531 -10.042 373 HH11 ARG 52 2HH1 ARG 52 -2.185 -4.711 -8.966 374 HH12 ARG 52 1HH1 ARG 52 -0.867 -5.505 -9.762 375 HH21 ARG 52 2HH2 ARG 52 0.478 -2.566 -11.094 376 HH22 ARG 52 1HH2 ARG 52 0.648 -4.284 -10.971 377 H TYR 53 H TYR 53 -3.169 3.944 -7.685 378 HA TYR 53 HA TYR 53 -1.449 4.061 -5.378 379 HB2 TYR 53 1HB TYR 53 -0.527 5.267 -7.994 380 HB3 TYR 53 2HB TYR 53 0.229 5.547 -6.429 381 HD1 TYR 53 1HD TYR 53 1.126 3.475 -5.180 382 HD2 TYR 53 2HD TYR 53 0.170 3.486 -9.326 383 HE1 TYR 53 1HE TYR 53 2.547 1.494 -5.507 384 HE2 TYR 53 2HE TYR 53 1.588 1.505 -9.664 385 HH TYR 53 HH TYR 53 2.861 -0.314 -7.037 386 H SER 54 H SER 54 -2.679 5.341 -4.162 387 HA SER 54 HA SER 54 -3.984 7.663 -5.390 388 HB2 SER 54 1HB SER 54 -4.545 5.984 -2.987 389 HB3 SER 54 2HB SER 54 -5.049 7.674 -2.952 390 HG SER 54 HG SER 54 -5.974 5.568 -4.518 391 H LEU 55 H LEU 55 -2.742 9.422 -5.354 392 HA LEU 55 HA LEU 55 -1.167 9.980 -2.930 393 HB2 LEU 55 1HB LEU 55 -0.780 11.184 -5.660 394 HB3 LEU 55 2HB LEU 55 0.301 11.302 -4.273 395 HG LEU 55 HG LEU 55 0.491 8.725 -4.521 396 HD11 LEU 55 1HD1 LEU 55 -1.307 9.237 -6.585 397 HD12 LEU 55 2HD1 LEU 55 -0.437 7.734 -6.276 398 HD13 LEU 55 3HD1 LEU 55 0.235 8.930 -7.384 399 HD21 LEU 55 1HD2 LEU 55 2.512 9.121 -5.413 400 HD22 LEU 55 2HD2 LEU 55 2.047 10.818 -5.281 401 HD23 LEU 55 3HD2 LEU 55 1.843 9.963 -6.811 402 H LYS 56 H LYS 56 -1.561 11.772 -1.772 403 HA LYS 56 HA LYS 56 -3.311 13.833 -2.924 404 HB2 LYS 56 1HB LYS 56 -4.653 12.332 -1.484 405 HB3 LYS 56 2HB LYS 56 -3.577 12.685 -0.138 406 HG2 LYS 56 1HG LYS 56 -5.468 14.039 0.180 407 HG3 LYS 56 2HG LYS 56 -4.214 15.115 -0.441 408 HD2 LYS 56 1HD LYS 56 -5.231 14.618 -2.754 409 HD3 LYS 56 2HD LYS 56 -6.624 14.017 -1.852 410 HE2 LYS 56 1HE LYS 56 -5.464 16.735 -1.330 411 HE3 LYS 56 2HE LYS 56 -6.641 16.467 -2.615 412 HZ1 LYS 56 1HZ LYS 56 -8.284 15.907 -1.101 413 HZ2 LYS 56 2HZ LYS 56 -7.482 17.175 -0.320 414 HZ3 LYS 56 3HZ LYS 56 -7.188 15.575 0.144 415 H GLN 57 H GLN 57 -2.628 15.860 -2.598 416 HA GLN 57 HA GLN 57 -0.315 16.247 -0.834 417 HB2 GLN 57 1HB GLN 57 0.210 16.938 -3.031 418 HB3 GLN 57 2HB GLN 57 -1.336 17.750 -3.233 419 HG2 GLN 57 1HG GLN 57 -0.677 19.604 -2.079 420 HG3 GLN 57 2HG GLN 57 0.491 18.716 -1.102 421 HE21 GLN 57 1HE2 GLN 57 2.406 19.580 -1.468 422 HE22 GLN 57 2HE2 GLN 57 3.082 19.929 -3.019 423 H ASP 58 H ASP 58 -0.889 16.890 1.139 424 HA ASP 58 HA ASP 58 -3.176 18.687 1.464 425 HB2 ASP 58 1HB ASP 58 -2.659 16.490 2.850 426 HB3 ASP 58 2HB ASP 58 -1.657 17.592 3.791 427 H GLY 59 H GLY 59 -1.819 20.415 0.462 428 HA2 GLY 59 1HA GLY 59 -0.798 22.456 0.778 429 HA3 GLY 59 2HA GLY 59 -0.798 22.125 2.504 430 H THR 60 H THR 60 0.990 21.147 3.458 431 HA THR 60 HA THR 60 3.398 21.101 1.758 432 HB THR 60 HB THR 60 4.696 21.580 3.803 433 HG1 THR 60 1HG THR 60 2.131 21.432 4.951 434 HG21 THR 60 1HG2 THR 60 4.052 23.451 2.413 435 HG22 THR 60 2HG2 THR 60 3.938 23.923 4.109 436 HG23 THR 60 3HG2 THR 60 2.477 23.536 3.201 437 H ARG 61 H ARG 61 1.571 18.872 2.162 438 HA ARG 61 HA ARG 61 3.532 16.920 3.038 439 HB2 ARG 61 1HB ARG 61 0.870 17.305 4.391 440 HB3 ARG 61 2HB ARG 61 1.703 15.757 4.417 441 HG2 ARG 61 1HG ARG 61 3.612 16.779 5.520 442 HG3 ARG 61 2HG ARG 61 2.818 18.354 5.455 443 HD2 ARG 61 1HD ARG 61 2.370 17.623 7.614 444 HD3 ARG 61 2HD ARG 61 0.904 17.195 6.732 445 HE ARG 61 HE ARG 61 2.672 15.017 6.674 446 HH11 ARG 61 2HH1 ARG 61 0.677 16.787 8.911 447 HH12 ARG 61 1HH1 ARG 61 0.415 15.429 9.955 448 HH21 ARG 61 2HH2 ARG 61 2.335 13.221 8.040 449 HH22 ARG 61 1HH2 ARG 61 1.359 13.401 9.458 450 H CYS 62 H CYS 62 3.063 14.774 2.326 451 HA CYS 62 HA CYS 62 0.889 14.572 0.357 452 HB2 CYS 62 1HB CYS 62 3.739 13.635 -0.038 453 HB3 CYS 62 2HB CYS 62 2.408 13.328 -1.147 454 HG CYS 62 HG CYS 62 4.351 15.998 -0.872 455 H GLU 63 H GLU 63 -0.056 12.555 0.134 456 HA GLU 63 HA GLU 63 0.886 10.458 1.971 457 HB2 GLU 63 1HB GLU 63 -1.054 11.638 2.949 458 HB3 GLU 63 2HB GLU 63 -1.997 11.248 1.518 459 HG2 GLU 63 1HG GLU 63 -1.871 8.901 2.008 460 HG3 GLU 63 2HG GLU 63 -0.780 9.204 3.358 461 H LEU 64 H LEU 64 1.568 8.868 0.692 462 HA LEU 64 HA LEU 64 0.089 8.271 -1.769 463 HB2 LEU 64 1HB LEU 64 2.387 8.560 -2.198 464 HB3 LEU 64 2HB LEU 64 2.849 7.582 -0.806 465 HG LEU 64 HG LEU 64 1.943 5.585 -2.000 466 HD11 LEU 64 1HD1 LEU 64 1.923 7.331 -4.445 467 HD12 LEU 64 2HD1 LEU 64 0.468 6.986 -3.511 468 HD13 LEU 64 3HD1 LEU 64 1.356 5.669 -4.277 469 HD21 LEU 64 1HD2 LEU 64 4.310 5.981 -2.000 470 HD22 LEU 64 2HD2 LEU 64 4.160 7.153 -3.309 471 HD23 LEU 64 3HD2 LEU 64 3.831 5.447 -3.611 472 H GLN 65 H GLN 65 -1.292 6.635 -1.797 473 HA GLN 65 HA GLN 65 -1.024 4.535 0.247 474 HB2 GLN 65 1HB GLN 65 -3.373 5.843 -1.037 475 HB3 GLN 65 2HB GLN 65 -3.525 4.155 -0.570 476 HG2 GLN 65 1HG GLN 65 -3.049 4.678 1.716 477 HG3 GLN 65 2HG GLN 65 -2.673 6.349 1.301 478 HE21 GLN 65 1HE2 GLN 65 -4.267 6.888 2.912 479 HE22 GLN 65 2HE2 GLN 65 -5.942 6.884 2.492 480 H ILE 66 H ILE 66 -0.671 2.493 -0.361 481 HA ILE 66 HA ILE 66 -0.773 1.889 -3.241 482 HB ILE 66 HB ILE 66 0.811 0.381 -1.166 483 HG12 ILE 66 1HG1 ILE 66 2.112 2.264 -3.082 484 HG13 ILE 66 2HG1 ILE 66 1.349 2.936 -1.645 485 HG21 ILE 66 1HG2 ILE 66 0.648 -1.016 -2.984 486 HG22 ILE 66 2HG2 ILE 66 0.583 0.315 -4.138 487 HG23 ILE 66 3HG2 ILE 66 2.114 -0.119 -3.380 488 HD11 ILE 66 1HD1 ILE 66 2.742 1.204 -0.358 489 HD12 ILE 66 2HD1 ILE 66 3.684 1.083 -1.845 490 HD13 ILE 66 3HD1 ILE 66 3.552 2.630 -1.008 491 H HIS 67 H HIS 67 -2.917 1.223 -3.343 492 HA HIS 67 HA HIS 67 -4.063 -0.656 -1.546 493 HB2 HIS 67 1HB HIS 67 -4.897 0.141 -4.343 494 HB3 HIS 67 2HB HIS 67 -5.874 -0.820 -3.237 495 HD1 HIS 67 1HD HIS 67 -6.652 0.448 -1.004 496 HD2 HIS 67 2HD HIS 67 -5.136 2.847 -4.040 497 HE1 HIS 67 1HE HIS 67 -7.391 2.786 -0.446 498 HE2 HIS 67 2HE HIS 67 -6.534 4.207 -2.342 499 H ASP 68 H ASP 68 -4.467 -2.850 -1.807 500 HA ASP 68 HA ASP 68 -4.034 -5.000 -2.412 501 HB2 ASP 68 1HB ASP 68 -3.772 -3.576 -5.040 502 HB3 ASP 68 2HB ASP 68 -3.384 -5.291 -4.924 503 H LEU 69 H LEU 69 -2.060 -3.994 -0.984 504 HA LEU 69 HA LEU 69 0.481 -3.746 -2.034 505 HB2 LEU 69 1HB LEU 69 -0.606 -4.634 0.585 506 HB3 LEU 69 2HB LEU 69 1.107 -4.896 0.267 507 HG LEU 69 HG LEU 69 -0.318 -2.236 0.265 508 HD11 LEU 69 1HD1 LEU 69 0.545 -3.737 2.409 509 HD12 LEU 69 2HD1 LEU 69 0.268 -1.996 2.400 510 HD13 LEU 69 3HD1 LEU 69 1.888 -2.631 2.113 511 HD21 LEU 69 1HD2 LEU 69 2.220 -3.091 -0.850 512 HD22 LEU 69 2HD2 LEU 69 2.413 -1.813 0.350 513 HD23 LEU 69 3HD2 LEU 69 1.357 -1.565 -1.041 514 H SER 70 H SER 70 2.291 -5.252 -2.018 515 HA SER 70 HA SER 70 1.759 -8.080 -2.015 516 HB2 SER 70 1HB SER 70 2.627 -8.318 -4.416 517 HB3 SER 70 2HB SER 70 0.968 -7.754 -4.221 518 HG SER 70 HG SER 70 3.204 -6.044 -4.575 519 H VAL 71 H VAL 71 3.722 -9.354 -2.407 520 HA VAL 71 HA VAL 71 5.939 -8.311 -1.026 521 HB VAL 71 HB VAL 71 7.091 -10.398 -2.173 522 HG11 VAL 71 1HG1 VAL 71 6.266 -10.009 0.232 523 HG12 VAL 71 2HG1 VAL 71 4.864 -10.966 -0.249 524 HG13 VAL 71 3HG1 VAL 71 6.480 -11.670 -0.319 525 HG21 VAL 71 1HG2 VAL 71 5.649 -12.042 -3.005 526 HG22 VAL 71 2HG2 VAL 71 4.213 -11.223 -2.391 527 HG23 VAL 71 3HG2 VAL 71 5.090 -10.553 -3.766 528 H ALA 72 H ALA 72 5.095 -8.333 -4.391 529 HA ALA 72 HA ALA 72 7.732 -7.800 -5.378 530 HB1 ALA 72 1HB ALA 72 6.279 -8.839 -6.906 531 HB2 ALA 72 2HB ALA 72 4.999 -7.660 -6.617 532 HB3 ALA 72 3HB ALA 72 6.457 -7.184 -7.487 533 H ASP 73 H ASP 73 5.174 -5.908 -4.055 534 HA ASP 73 HA ASP 73 6.063 -3.413 -5.201 535 HB2 ASP 73 1HB ASP 73 3.943 -4.204 -3.230 536 HB3 ASP 73 2HB ASP 73 4.410 -2.513 -3.391 537 H ALA 74 H ALA 74 6.594 -5.240 -2.286 538 HA ALA 74 HA ALA 74 7.572 -3.220 -0.612 539 HB1 ALA 74 1HB ALA 74 7.301 -6.009 -0.503 540 HB2 ALA 74 2HB ALA 74 9.003 -5.669 -0.186 541 HB3 ALA 74 3HB ALA 74 7.754 -4.917 0.806 542 H GLY 75 H GLY 75 9.031 -1.796 -1.405 543 HA2 GLY 75 1HA GLY 75 11.698 -2.825 -1.976 544 HA3 GLY 75 2HA GLY 75 10.927 -1.914 -3.265 545 H GLU 76 H GLU 76 11.616 0.107 -3.358 546 HA GLU 76 HA GLU 76 11.893 1.625 -0.869 547 HB2 GLU 76 1HB GLU 76 14.145 0.859 -1.397 548 HB3 GLU 76 2HB GLU 76 13.997 1.482 -3.035 549 HG2 GLU 76 1HG GLU 76 14.076 3.708 -2.317 550 HG3 GLU 76 2HG GLU 76 13.757 3.268 -0.640 551 H TYR 77 H TYR 77 10.516 3.255 -1.073 552 HA TYR 77 HA TYR 77 10.040 4.414 -3.722 553 HB2 TYR 77 1HB TYR 77 8.493 4.648 -1.135 554 HB3 TYR 77 2HB TYR 77 8.072 5.494 -2.620 555 HD1 TYR 77 1HD TYR 77 8.270 2.198 -0.993 556 HD2 TYR 77 2HD TYR 77 7.011 4.348 -4.442 557 HE1 TYR 77 1HE TYR 77 6.962 0.247 -1.725 558 HE2 TYR 77 2HE TYR 77 5.699 2.404 -5.183 559 HH TYR 77 HH TYR 77 5.938 -0.686 -3.595 560 H SER 78 H SER 78 10.784 6.360 -4.256 561 HA SER 78 HA SER 78 11.835 8.083 -2.106 562 HB2 SER 78 1HB SER 78 12.849 8.297 -4.913 563 HB3 SER 78 2HB SER 78 13.674 8.649 -3.395 564 HG SER 78 HG SER 78 14.451 6.726 -4.340 565 H CYS 79 H CYS 79 11.521 10.314 -2.270 566 HA CYS 79 HA CYS 79 9.575 11.174 -4.307 567 HB2 CYS 79 1HB CYS 79 8.737 10.826 -1.857 568 HB3 CYS 79 2HB CYS 79 9.572 12.343 -1.543 569 HG CYS 79 HG CYS 79 8.071 13.647 -3.661 570 H MET 80 H MET 80 10.510 12.613 -5.591 571 HA MET 80 HA MET 80 12.662 14.297 -4.554 572 HB2 MET 80 1HB MET 80 11.716 14.085 -7.411 573 HB3 MET 80 2HB MET 80 13.244 14.733 -6.833 574 HG2 MET 80 1HG MET 80 13.621 12.348 -5.903 575 HG3 MET 80 2HG MET 80 12.357 11.892 -7.043 576 HE1 MET 80 1HE MET 80 13.257 10.548 -8.766 577 HE2 MET 80 2HE MET 80 14.834 10.699 -9.540 578 HE3 MET 80 3HE MET 80 14.726 10.246 -7.838 579 H CYS 81 H CYS 81 12.340 16.352 -4.022 580 HA CYS 81 HA CYS 81 10.067 17.785 -5.215 581 HB2 CYS 81 1HB CYS 81 9.312 17.214 -3.025 582 HB3 CYS 81 2HB CYS 81 10.852 17.668 -2.304 583 HG CYS 81 HG CYS 81 8.171 19.502 -2.800 584 H GLY 82 H GLY 82 11.258 19.034 -6.593 585 HA2 GLY 82 1HA GLY 82 12.398 20.967 -7.150 586 HA3 GLY 82 2HA GLY 82 12.655 21.261 -5.436 587 H GLN 83 H GLN 83 14.467 20.329 -4.400 588 HA GLN 83 HA GLN 83 16.525 19.301 -6.239 589 HB2 GLN 83 1HB GLN 83 16.773 21.386 -4.081 590 HB3 GLN 83 2HB GLN 83 18.170 20.498 -4.675 591 HG2 GLN 83 1HG GLN 83 16.357 21.957 -6.556 592 HG3 GLN 83 2HG GLN 83 17.641 22.796 -5.686 593 HE21 GLN 83 1HE2 GLN 83 19.427 23.010 -6.807 594 HE22 GLN 83 2HE2 GLN 83 20.027 21.913 -7.999 595 H GLU 84 H GLU 84 15.047 19.209 -3.087 596 HA GLU 84 HA GLU 84 16.921 17.244 -2.071 597 HB2 GLU 84 1HB GLU 84 14.561 18.707 -0.962 598 HB3 GLU 84 2HB GLU 84 15.086 17.223 -0.178 599 HG2 GLU 84 1HG GLU 84 17.000 19.456 -0.742 600 HG3 GLU 84 2HG GLU 84 15.994 19.438 0.706 601 H ARG 85 H ARG 85 16.041 15.203 -1.099 602 HA ARG 85 HA ARG 85 13.632 14.117 -2.235 603 HB2 ARG 85 1HB ARG 85 14.924 13.719 -4.165 604 HB3 ARG 85 2HB ARG 85 16.339 13.262 -3.227 605 HG2 ARG 85 1HG ARG 85 14.991 11.264 -2.437 606 HG3 ARG 85 2HG ARG 85 13.836 11.680 -3.705 607 HD2 ARG 85 1HD ARG 85 15.172 10.181 -4.816 608 HD3 ARG 85 2HD ARG 85 15.972 11.699 -5.220 609 HE ARG 85 HE ARG 85 17.123 10.684 -2.879 610 HH11 ARG 85 2HH1 ARG 85 16.891 9.931 -6.270 611 HH12 ARG 85 1HH1 ARG 85 18.419 9.116 -6.327 612 HH21 ARG 85 2HH2 ARG 85 19.136 9.614 -2.941 613 HH22 ARG 85 1HH2 ARG 85 19.695 8.935 -4.433 614 H THR 86 H THR 86 12.917 12.306 -1.156 615 HA THR 86 HA THR 86 14.664 11.258 0.971 616 HB THR 86 HB THR 86 13.084 12.760 2.032 617 HG1 THR 86 1HG THR 86 13.123 11.238 3.500 618 HG21 THR 86 1HG2 THR 86 10.718 11.143 1.288 619 HG22 THR 86 2HG2 THR 86 11.369 12.211 0.044 620 HG23 THR 86 3HG2 THR 86 10.857 12.873 1.596 621 H SER 87 H SER 87 14.290 9.094 1.604 622 HA SER 87 HA SER 87 12.649 7.534 -0.283 623 HB2 SER 87 1HB SER 87 14.381 5.710 0.004 624 HB3 SER 87 2HB SER 87 14.929 7.130 -0.886 625 HG SER 87 HG SER 87 15.313 7.052 1.885 626 H ALA 88 H ALA 88 11.611 5.698 0.526 627 HA ALA 88 HA ALA 88 11.770 5.209 3.407 628 HB1 ALA 88 1HB ALA 88 9.051 5.031 2.884 629 HB2 ALA 88 2HB ALA 88 9.871 6.303 3.791 630 HB3 ALA 88 3HB ALA 88 9.561 6.509 2.067 631 H THR 89 H THR 89 12.440 3.147 3.372 632 HA THR 89 HA THR 89 11.704 1.264 1.374 633 HB THR 89 HB THR 89 12.882 0.718 4.106 634 HG1 THR 89 1HG THR 89 14.331 0.879 1.680 635 HG21 THR 89 1HG2 THR 89 13.312 -1.421 3.435 636 HG22 THR 89 2HG2 THR 89 13.422 -0.982 1.731 637 HG23 THR 89 3HG2 THR 89 11.844 -1.136 2.502 638 H LEU 90 H LEU 90 9.756 0.390 1.171 639 HA LEU 90 HA LEU 90 8.024 0.127 3.504 640 HB2 LEU 90 1HB LEU 90 6.921 1.102 1.676 641 HB3 LEU 90 2HB LEU 90 7.584 -0.073 0.542 642 HG LEU 90 HG LEU 90 6.146 -1.759 1.973 643 HD11 LEU 90 1HD1 LEU 90 4.277 -0.906 3.028 644 HD12 LEU 90 2HD1 LEU 90 4.390 0.649 2.204 645 HD13 LEU 90 3HD1 LEU 90 5.527 0.249 3.491 646 HD21 LEU 90 1HD2 LEU 90 5.934 -1.212 -0.448 647 HD22 LEU 90 2HD2 LEU 90 4.845 0.104 -0.008 648 HD23 LEU 90 3HD2 LEU 90 4.400 -1.566 0.346 649 H THR 91 H THR 91 7.265 -1.793 4.292 650 HA THR 91 HA THR 91 8.546 -4.221 3.222 651 HB THR 91 HB THR 91 7.649 -3.593 6.038 652 HG1 THR 91 1HG THR 91 9.691 -2.741 5.442 653 HG21 THR 91 1HG2 THR 91 8.682 -5.846 6.549 654 HG22 THR 91 2HG2 THR 91 8.632 -6.165 4.815 655 HG23 THR 91 3HG2 THR 91 7.135 -5.888 5.705 656 H VAL 92 H VAL 92 7.339 -6.046 2.854 657 HA VAL 92 HA VAL 92 4.433 -5.836 3.286 658 HB VAL 92 HB VAL 92 5.801 -6.870 0.799 659 HG11 VAL 92 1HG1 VAL 92 3.196 -7.428 1.929 660 HG12 VAL 92 2HG1 VAL 92 3.072 -6.696 0.327 661 HG13 VAL 92 3HG1 VAL 92 4.012 -8.172 0.554 662 HG21 VAL 92 1HG2 VAL 92 4.511 -5.046 -0.301 663 HG22 VAL 92 2HG2 VAL 92 4.051 -4.466 1.300 664 HG23 VAL 92 3HG2 VAL 92 5.747 -4.470 0.817 665 H ARG 93 H ARG 93 3.729 -7.438 4.520 666 HA ARG 93 HA ARG 93 5.348 -9.807 4.918 667 HB2 ARG 93 1HB ARG 93 2.856 -8.722 6.200 668 HB3 ARG 93 2HB ARG 93 3.387 -10.369 6.511 669 HG2 ARG 93 1HG ARG 93 5.433 -9.611 7.468 670 HG3 ARG 93 2HG ARG 93 5.117 -7.951 6.958 671 HD2 ARG 93 1HD ARG 93 3.367 -9.484 8.872 672 HD3 ARG 93 2HD ARG 93 4.675 -8.417 9.380 673 HE ARG 93 HE ARG 93 2.972 -7.006 7.655 674 HH11 ARG 93 2HH1 ARG 93 2.988 -8.399 10.846 675 HH12 ARG 93 1HH1 ARG 93 1.842 -7.268 11.487 676 HH21 ARG 93 2HH2 ARG 93 1.463 -5.512 8.488 677 HH22 ARG 93 1HH2 ARG 93 0.975 -5.627 10.145 678 H ALA 94 H ALA 94 5.136 -11.580 3.739 679 HA ALA 94 HA ALA 94 2.949 -11.923 1.915 680 HB1 ALA 94 1HB ALA 94 5.552 -12.779 1.975 681 HB2 ALA 94 2HB ALA 94 4.653 -14.254 2.332 682 HB3 ALA 94 3HB ALA 94 4.309 -13.347 0.859 683 H LEU 95 H LEU 95 1.124 -13.037 2.198 684 HA LEU 95 HA LEU 95 0.013 -13.787 4.517 685 HB2 LEU 95 1HB LEU 95 -0.257 -15.295 1.921 686 HB3 LEU 95 2HB LEU 95 -1.369 -15.411 3.284 687 HG LEU 95 HG LEU 95 -1.087 -13.295 1.228 688 HD11 LEU 95 1HD1 LEU 95 -3.604 -13.206 1.870 689 HD12 LEU 95 2HD1 LEU 95 -3.268 -14.743 2.666 690 HD13 LEU 95 3HD1 LEU 95 -2.986 -14.568 0.934 691 HD21 LEU 95 1HD2 LEU 95 -2.032 -12.679 4.025 692 HD22 LEU 95 2HD2 LEU 95 -2.022 -11.583 2.643 693 HD23 LEU 95 3HD2 LEU 95 -0.499 -12.141 3.338 694 HA PRO 96 HA PRO 96 2.086 -17.247 6.253 695 HB2 PRO 96 1HB PRO 96 0.029 -18.506 7.501 696 HB3 PRO 96 2HB PRO 96 0.723 -16.988 8.084 697 HG2 PRO 96 1HG PRO 96 -1.756 -17.440 6.468 698 HG3 PRO 96 2HG PRO 96 -1.501 -16.352 7.844 699 HD2 PRO 96 1HD PRO 96 -1.484 -15.485 5.279 700 HD3 PRO 96 2HD PRO 96 -0.485 -14.742 6.545 701 H ALA 97 H ALA 97 2.744 -19.179 5.526 702 HA ALA 97 HA ALA 97 1.619 -20.380 3.247 703 HB1 ALA 97 1HB ALA 97 3.902 -20.802 4.950 704 HB2 ALA 97 2HB ALA 97 3.160 -22.340 4.505 705 HB3 ALA 97 3HB ALA 97 3.678 -21.215 3.250 706 H ARG 98 H ARG 98 0.721 -22.530 3.037 707 HA ARG 98 HA ARG 98 -0.817 -23.370 5.407 708 HB2 ARG 98 1HB ARG 98 -2.629 -24.047 3.858 709 HB3 ARG 98 2HB ARG 98 -2.322 -22.316 3.833 710 HG2 ARG 98 1HG ARG 98 -0.926 -24.007 1.832 711 HG3 ARG 98 2HG ARG 98 -2.652 -23.705 1.618 712 HD2 ARG 98 1HD ARG 98 -2.240 -21.294 1.734 713 HD3 ARG 98 2HD ARG 98 -0.516 -21.601 1.943 714 HE ARG 98 HE ARG 98 -2.028 -21.749 -0.510 715 HH11 ARG 98 2HH1 ARG 98 0.874 -22.696 1.163 716 HH12 ARG 98 1HH1 ARG 98 1.779 -22.968 -0.289 717 HH21 ARG 98 2HH2 ARG 98 -0.848 -22.104 -2.429 718 HH22 ARG 98 1HH2 ARG 98 0.798 -22.631 -2.332 719 H PHE 99 H PHE 99 -1.434 -25.643 5.438 720 HA PHE 99 HA PHE 99 -0.337 -27.535 3.647 721 HB2 PHE 99 1HB PHE 99 1.687 -26.593 5.026 722 HB3 PHE 99 2HB PHE 99 1.062 -27.644 6.293 723 HD1 PHE 99 1HD PHE 99 2.342 -27.595 2.825 724 HD2 PHE 99 2HD PHE 99 1.451 -29.959 6.251 725 HE1 PHE 99 1HE PHE 99 3.510 -29.506 1.806 726 HE2 PHE 99 2HE PHE 99 2.619 -31.873 5.238 727 HZ PHE 99 HZ PHE 99 3.650 -31.648 3.013 728 H THR 100 H THR 100 -0.595 -29.784 4.457 729 HA THR 100 HA THR 100 -3.096 -30.020 5.849 730 HB THR 100 HB THR 100 -2.518 -31.493 3.943 731 HG1 THR 100 1HG THR 100 -3.812 -32.896 4.849 732 HG21 THR 100 1HG2 THR 100 -0.073 -31.732 4.998 733 HG22 THR 100 2HG2 THR 100 -0.765 -32.947 3.923 734 HG23 THR 100 3HG2 THR 100 -0.804 -33.188 5.670 735 H GLU 101 H GLU 101 -1.408 -28.858 7.614 736 HA GLU 101 HA GLU 101 -0.464 -30.978 9.403 737 HB2 GLU 101 1HB GLU 101 0.850 -28.788 8.698 738 HB3 GLU 101 2HB GLU 101 -0.079 -28.083 10.013 739 HG2 GLU 101 1HG GLU 101 1.716 -30.486 10.253 740 HG3 GLU 101 2HG GLU 101 2.143 -28.841 10.720 741 H GLY 102 H GLY 102 -2.341 -27.947 9.575 742 HA2 GLY 102 1HA GLY 102 -3.748 -29.087 11.909 743 HA3 GLY 102 2HA GLY 102 -3.472 -27.367 11.671 744 H SER 103 H SER 103 -5.661 -29.876 11.316 745 HA SER 103 HA SER 103 -7.084 -29.116 9.014 746 HB2 SER 103 1HB SER 103 -8.813 -30.556 9.775 747 HB3 SER 103 2HB SER 103 -7.313 -31.276 10.357 748 HG SER 103 HG SER 103 -7.768 -30.076 12.363 749 H GLY 104 H GLY 104 -7.225 -28.006 12.347 750 HA2 GLY 104 1HA GLY 104 -7.891 -25.773 12.876 751 HA3 GLY 104 2HA GLY 104 -8.919 -25.778 11.451 752 HA PRO 105 HA PRO 105 -11.116 -28.279 15.004 753 HB2 PRO 105 1HB PRO 105 -10.295 -27.609 17.503 754 HB3 PRO 105 2HB PRO 105 -9.588 -28.944 16.585 755 HG2 PRO 105 1HG PRO 105 -8.568 -26.155 16.962 756 HG3 PRO 105 2HG PRO 105 -7.678 -27.687 17.010 757 HD2 PRO 105 1HD PRO 105 -7.670 -26.066 14.842 758 HD3 PRO 105 2HD PRO 105 -7.554 -27.833 14.714 759 H SER 106 H SER 106 -13.068 -27.405 15.241 760 HA SER 106 HA SER 106 -13.375 -24.856 16.615 761 HB2 SER 106 1HB SER 106 -14.899 -24.014 14.799 762 HB3 SER 106 2HB SER 106 -13.200 -24.105 14.335 763 HG SER 106 HG SER 106 -14.826 -26.323 13.837 764 H SER 107 H SER 107 -15.902 -24.338 16.579 765 HA SER 107 HA SER 107 -17.207 -26.820 17.465 766 HB2 SER 107 1HB SER 107 -17.498 -23.947 18.310 767 HB3 SER 107 2HB SER 107 -18.773 -25.120 18.643 768 HG SER 107 HG SER 107 -16.064 -25.512 19.378 769 H GLY 108 H GLY 108 -19.020 -27.525 16.504 770 HA2 GLY 108 1HA GLY 108 -21.105 -26.201 15.408 771 HA3 GLY 108 2HA GLY 108 -19.917 -26.169 14.113 Start of MODEL 10 1 H1 GLY 1 H GLY 1 22.265 24.476 2.640 2 HA2 GLY 1 1HA GLY 1 20.563 24.382 0.247 3 HA3 GLY 1 2HA GLY 1 19.809 24.647 1.811 4 H SER 2 H SER 2 19.610 26.454 -0.319 5 HA SER 2 HA SER 2 21.330 28.680 0.547 6 HB2 SER 2 1HB SER 2 21.022 29.673 -1.599 7 HB3 SER 2 2HB SER 2 21.361 27.967 -1.893 8 HG SER 2 HG SER 2 19.460 27.770 -2.755 9 H SER 3 H SER 3 20.449 30.609 1.191 10 HA SER 3 HA SER 3 17.606 30.522 1.873 11 HB2 SER 3 1HB SER 3 19.778 32.420 2.795 12 HB3 SER 3 2HB SER 3 18.119 32.391 3.392 13 HG SER 3 HG SER 3 20.119 31.040 4.342 14 H GLY 4 H GLY 4 18.146 30.928 -0.831 15 HA2 GLY 4 1HA GLY 4 18.021 33.767 -1.389 16 HA3 GLY 4 2HA GLY 4 17.962 32.466 -2.569 17 H SER 5 H SER 5 16.252 33.648 -3.604 18 HA SER 5 HA SER 5 13.678 33.475 -2.182 19 HB2 SER 5 1HB SER 5 14.381 35.770 -2.858 20 HB3 SER 5 2HB SER 5 14.370 35.242 -4.540 21 HG SER 5 HG SER 5 12.093 34.920 -2.913 22 H SER 6 H SER 6 15.260 32.998 -5.316 23 HA SER 6 HA SER 6 12.942 31.608 -6.373 24 HB2 SER 6 1HB SER 6 15.668 32.005 -7.628 25 HB3 SER 6 2HB SER 6 14.202 31.471 -8.449 26 HG SER 6 HG SER 6 13.553 33.704 -7.284 27 H GLY 7 H GLY 7 12.612 29.598 -5.663 28 HA2 GLY 7 1HA GLY 7 14.229 27.449 -6.324 29 HA3 GLY 7 2HA GLY 7 14.676 27.902 -4.686 30 HA PRO 8 HA PRO 8 10.587 25.367 -5.016 31 HB2 PRO 8 1HB PRO 8 11.525 22.819 -4.990 32 HB3 PRO 8 2HB PRO 8 11.188 23.704 -6.483 33 HG2 PRO 8 1HG PRO 8 13.804 23.249 -5.100 34 HG3 PRO 8 2HG PRO 8 13.422 23.160 -6.829 35 HD2 PRO 8 1HD PRO 8 14.626 25.312 -5.712 36 HD3 PRO 8 2HD PRO 8 13.525 25.447 -7.098 37 H ALA 9 H ALA 9 9.940 23.595 -3.383 38 HA ALA 9 HA ALA 9 10.813 24.446 -0.797 39 HB1 ALA 9 1HB ALA 9 8.516 23.321 -1.790 40 HB2 ALA 9 2HB ALA 9 9.225 22.002 -0.857 41 HB3 ALA 9 3HB ALA 9 8.895 23.551 -0.082 42 H ARG 10 H ARG 10 11.310 22.735 0.916 43 HA ARG 10 HA ARG 10 13.039 20.613 -0.141 44 HB2 ARG 10 1HB ARG 10 14.814 21.175 1.410 45 HB3 ARG 10 2HB ARG 10 14.451 22.570 0.402 46 HG2 ARG 10 1HG ARG 10 13.343 23.680 2.163 47 HG3 ARG 10 2HG ARG 10 13.294 22.217 3.150 48 HD2 ARG 10 1HD ARG 10 15.706 22.265 3.391 49 HD3 ARG 10 2HD ARG 10 15.807 23.666 2.325 50 HE ARG 10 HE ARG 10 15.079 23.651 5.107 51 HH11 ARG 10 2HH1 ARG 10 14.837 25.367 2.088 52 HH12 ARG 10 1HH1 ARG 10 14.554 26.905 2.835 53 HH21 ARG 10 2HH2 ARG 10 14.708 25.669 6.102 54 HH22 ARG 10 1HH2 ARG 10 14.482 27.076 5.118 55 H PHE 11 H PHE 11 13.025 18.743 1.010 56 HA PHE 11 HA PHE 11 10.900 18.188 2.729 57 HB2 PHE 11 1HB PHE 11 13.492 16.735 2.211 58 HB3 PHE 11 2HB PHE 11 12.251 16.094 3.283 59 HD1 PHE 11 1HD PHE 11 9.938 15.691 2.328 60 HD2 PHE 11 2HD PHE 11 13.360 16.426 -0.095 61 HE1 PHE 11 1HE PHE 11 8.777 14.705 0.396 62 HE2 PHE 11 2HE PHE 11 12.204 15.442 -2.031 63 HZ PHE 11 HZ PHE 11 9.909 14.580 -1.788 64 H THR 12 H THR 12 10.684 18.036 4.925 65 HA THR 12 HA THR 12 12.910 19.119 6.527 66 HB THR 12 HB THR 12 11.265 20.055 8.070 67 HG1 THR 12 1HG THR 12 9.000 20.045 7.170 68 HG21 THR 12 1HG2 THR 12 11.857 21.667 6.516 69 HG22 THR 12 2HG2 THR 12 10.102 21.631 6.345 70 HG23 THR 12 3HG2 THR 12 11.119 20.793 5.175 71 H GLN 13 H GLN 13 10.645 16.567 6.105 72 HA GLN 13 HA GLN 13 11.729 15.239 8.487 73 HB2 GLN 13 1HB GLN 13 8.873 15.727 7.800 74 HB3 GLN 13 2HB GLN 13 9.287 14.181 8.530 75 HG2 GLN 13 1HG GLN 13 10.175 16.761 9.760 76 HG3 GLN 13 2HG GLN 13 8.565 16.107 10.057 77 HE21 GLN 13 1HE2 GLN 13 9.712 16.294 12.270 78 HE22 GLN 13 2HE2 GLN 13 10.464 14.843 12.831 79 H ASP 14 H ASP 14 12.609 13.351 7.990 80 HA ASP 14 HA ASP 14 12.803 12.254 5.490 81 HB2 ASP 14 1HB ASP 14 12.716 10.470 7.908 82 HB3 ASP 14 2HB ASP 14 13.750 10.355 6.487 83 H LEU 15 H LEU 15 11.748 10.671 4.317 84 HA LEU 15 HA LEU 15 8.942 10.552 4.575 85 HB2 LEU 15 1HB LEU 15 10.557 10.168 2.531 86 HB3 LEU 15 2HB LEU 15 10.431 8.483 3.032 87 HG LEU 15 HG LEU 15 8.042 10.200 2.380 88 HD11 LEU 15 1HD1 LEU 15 8.206 8.504 0.308 89 HD12 LEU 15 2HD1 LEU 15 9.922 8.758 0.624 90 HD13 LEU 15 3HD1 LEU 15 8.875 10.136 0.285 91 HD21 LEU 15 1HD2 LEU 15 7.750 7.381 1.959 92 HD22 LEU 15 2HD2 LEU 15 6.839 8.451 3.025 93 HD23 LEU 15 3HD2 LEU 15 8.321 7.685 3.600 94 H LYS 16 H LYS 16 7.597 9.085 5.471 95 HA LYS 16 HA LYS 16 8.846 6.862 6.946 96 HB2 LYS 16 1HB LYS 16 7.171 7.050 8.596 97 HB3 LYS 16 2HB LYS 16 7.650 8.705 8.240 98 HG2 LYS 16 1HG LYS 16 5.397 8.963 8.225 99 HG3 LYS 16 2HG LYS 16 5.641 8.536 6.529 100 HD2 LYS 16 1HD LYS 16 4.935 6.312 6.884 101 HD3 LYS 16 2HD LYS 16 5.053 6.473 8.638 102 HE2 LYS 16 1HE LYS 16 3.274 8.388 8.209 103 HE3 LYS 16 2HE LYS 16 2.941 7.421 6.773 104 HZ1 LYS 16 1HZ LYS 16 3.145 5.814 9.124 105 HZ2 LYS 16 2HZ LYS 16 1.896 5.901 7.987 106 HZ3 LYS 16 3HZ LYS 16 1.941 6.992 9.279 107 H THR 17 H THR 17 7.231 5.021 7.360 108 HA THR 17 HA THR 17 5.245 4.573 5.329 109 HB THR 17 HB THR 17 7.300 4.044 4.071 110 HG1 THR 17 1HG THR 17 5.684 2.802 3.342 111 HG21 THR 17 1HG2 THR 17 8.497 1.905 4.760 112 HG22 THR 17 2HG2 THR 17 7.731 2.109 6.336 113 HG23 THR 17 3HG2 THR 17 8.833 3.342 5.725 114 H LYS 18 H LYS 18 4.495 2.171 5.469 115 HA LYS 18 HA LYS 18 4.657 1.253 8.260 116 HB2 LYS 18 1HB LYS 18 2.283 0.793 8.286 117 HB3 LYS 18 2HB LYS 18 2.539 2.484 7.875 118 HG2 LYS 18 1HG LYS 18 0.962 1.948 6.330 119 HG3 LYS 18 2HG LYS 18 2.415 1.542 5.413 120 HD2 LYS 18 1HD LYS 18 1.209 -0.371 5.085 121 HD3 LYS 18 2HD LYS 18 2.052 -0.809 6.573 122 HE2 LYS 18 1HE LYS 18 -0.699 0.420 6.492 123 HE3 LYS 18 2HE LYS 18 -0.400 -1.316 6.562 124 HZ1 LYS 18 1HZ LYS 18 0.940 -0.806 8.628 125 HZ2 LYS 18 2HZ LYS 18 -0.739 -0.649 8.764 126 HZ3 LYS 18 3HZ LYS 18 0.228 0.729 8.605 127 H GLU 19 H GLU 19 3.724 -1.026 8.468 128 HA GLU 19 HA GLU 19 4.660 -2.618 6.174 129 HB2 GLU 19 1HB GLU 19 6.056 -3.007 8.083 130 HB3 GLU 19 2HB GLU 19 4.661 -3.224 9.130 131 HG2 GLU 19 1HG GLU 19 4.126 -5.305 8.145 132 HG3 GLU 19 2HG GLU 19 5.261 -5.047 6.821 133 H ALA 20 H ALA 20 2.993 -3.337 5.023 134 HA ALA 20 HA ALA 20 0.637 -4.364 6.469 135 HB1 ALA 20 1HB ALA 20 -0.765 -3.309 5.072 136 HB2 ALA 20 2HB ALA 20 0.625 -2.281 4.723 137 HB3 ALA 20 3HB ALA 20 0.238 -3.633 3.658 138 H SER 21 H SER 21 -0.587 -6.041 5.205 139 HA SER 21 HA SER 21 1.325 -7.989 4.165 140 HB2 SER 21 1HB SER 21 -0.104 -8.822 5.915 141 HB3 SER 21 2HB SER 21 -1.548 -8.254 5.076 142 HG SER 21 HG SER 21 0.056 -10.479 4.570 143 H GLU 22 H GLU 22 0.604 -9.377 2.328 144 HA GLU 22 HA GLU 22 0.299 -7.976 -0.002 145 HB2 GLU 22 1HB GLU 22 -0.282 -10.810 0.751 146 HB3 GLU 22 2HB GLU 22 -0.755 -10.241 -0.844 147 HG2 GLU 22 1HG GLU 22 1.539 -9.619 -1.329 148 HG3 GLU 22 2HG GLU 22 2.032 -10.122 0.287 149 H GLY 23 H GLY 23 -1.357 -7.249 -1.263 150 HA2 GLY 23 1HA GLY 23 -3.543 -6.841 -1.936 151 HA3 GLY 23 2HA GLY 23 -4.104 -7.918 -0.665 152 H ALA 24 H ALA 24 -2.294 -6.230 1.191 153 HA ALA 24 HA ALA 24 -4.392 -4.514 2.104 154 HB1 ALA 24 1HB ALA 24 -1.536 -4.551 3.058 155 HB2 ALA 24 2HB ALA 24 -2.961 -3.990 3.934 156 HB3 ALA 24 3HB ALA 24 -2.759 -5.707 3.585 157 H THR 25 H THR 25 -3.626 -2.189 2.826 158 HA THR 25 HA THR 25 -2.389 -0.898 0.481 159 HB THR 25 HB THR 25 -4.641 0.202 2.175 160 HG1 THR 25 1HG THR 25 -5.809 -0.055 0.157 161 HG21 THR 25 1HG2 THR 25 -2.730 1.550 0.627 162 HG22 THR 25 2HG2 THR 25 -4.234 2.203 1.278 163 HG23 THR 25 3HG2 THR 25 -4.200 1.519 -0.347 164 H ALA 26 H ALA 26 -0.566 0.125 0.947 165 HA ALA 26 HA ALA 26 0.195 0.636 3.680 166 HB1 ALA 26 1HB ALA 26 2.099 1.822 2.044 167 HB2 ALA 26 2HB ALA 26 2.169 0.205 2.747 168 HB3 ALA 26 3HB ALA 26 1.527 0.432 1.120 169 H THR 27 H THR 27 1.438 2.863 3.961 170 HA THR 27 HA THR 27 0.117 5.114 2.732 171 HB THR 27 HB THR 27 -0.230 4.716 5.708 172 HG1 THR 27 1HG THR 27 -2.212 3.985 5.287 173 HG21 THR 27 1HG2 THR 27 -0.926 6.890 3.776 174 HG22 THR 27 2HG2 THR 27 -0.243 7.006 5.398 175 HG23 THR 27 3HG2 THR 27 -1.950 6.617 5.185 176 H LEU 28 H LEU 28 1.884 6.261 2.259 177 HA LEU 28 HA LEU 28 3.928 6.610 4.349 178 HB2 LEU 28 1HB LEU 28 4.332 7.165 1.428 179 HB3 LEU 28 2HB LEU 28 5.550 6.913 2.677 180 HG LEU 28 HG LEU 28 4.439 4.507 2.755 181 HD11 LEU 28 1HD1 LEU 28 3.189 3.893 1.016 182 HD12 LEU 28 2HD1 LEU 28 4.255 4.690 -0.141 183 HD13 LEU 28 3HD1 LEU 28 3.004 5.616 0.687 184 HD21 LEU 28 1HD2 LEU 28 6.773 4.888 2.336 185 HD22 LEU 28 2HD2 LEU 28 6.430 5.476 0.709 186 HD23 LEU 28 3HD2 LEU 28 6.152 3.781 1.111 187 H GLN 29 H GLN 29 4.414 8.607 5.069 188 HA GLN 29 HA GLN 29 3.120 10.890 3.729 189 HB2 GLN 29 1HB GLN 29 3.433 10.341 6.680 190 HB3 GLN 29 2HB GLN 29 2.995 11.919 6.037 191 HG2 GLN 29 1HG GLN 29 0.973 11.025 5.090 192 HG3 GLN 29 2HG GLN 29 1.429 9.392 5.572 193 HE21 GLN 29 1HE2 GLN 29 0.473 8.686 7.327 194 HE22 GLN 29 2HE2 GLN 29 -0.108 9.651 8.637 195 H CYS 30 H CYS 30 4.260 12.815 3.617 196 HA CYS 30 HA CYS 30 6.956 12.901 4.731 197 HB2 CYS 30 1HB CYS 30 8.073 13.203 2.706 198 HB3 CYS 30 2HB CYS 30 6.915 11.935 2.325 199 HG CYS 30 HG CYS 30 5.493 13.243 0.572 200 H GLU 31 H GLU 31 7.544 14.892 5.382 201 HA GLU 31 HA GLU 31 5.612 17.042 5.010 202 HB2 GLU 31 1HB GLU 31 6.822 16.273 7.239 203 HB3 GLU 31 2HB GLU 31 8.073 17.368 6.666 204 HG2 GLU 31 1HG GLU 31 6.766 19.227 6.927 205 HG3 GLU 31 2HG GLU 31 5.260 18.329 6.746 206 H LEU 32 H LEU 32 6.315 19.212 4.477 207 HA LEU 32 HA LEU 32 8.835 19.378 2.993 208 HB2 LEU 32 1HB LEU 32 6.121 20.128 1.922 209 HB3 LEU 32 2HB LEU 32 7.645 20.601 1.173 210 HG LEU 32 HG LEU 32 6.838 17.729 1.579 211 HD11 LEU 32 1HD1 LEU 32 5.512 17.782 -0.201 212 HD12 LEU 32 2HD1 LEU 32 6.704 18.675 -1.145 213 HD13 LEU 32 3HD1 LEU 32 5.573 19.543 -0.107 214 HD21 LEU 32 1HD2 LEU 32 9.088 19.164 0.287 215 HD22 LEU 32 2HD2 LEU 32 8.477 17.715 -0.513 216 HD23 LEU 32 3HD2 LEU 32 9.068 17.624 1.147 217 H SER 33 H SER 33 9.732 21.439 2.868 218 HA SER 33 HA SER 33 9.322 23.144 5.022 219 HB2 SER 33 1HB SER 33 11.402 23.123 3.726 220 HB3 SER 33 2HB SER 33 10.556 23.794 2.332 221 HG SER 33 HG SER 33 11.765 25.262 3.867 222 H LYS 34 H LYS 34 7.756 23.032 1.924 223 HA LYS 34 HA LYS 34 5.728 24.857 2.800 224 HB2 LYS 34 1HB LYS 34 6.018 26.494 0.982 225 HB3 LYS 34 2HB LYS 34 7.387 26.488 2.085 226 HG2 LYS 34 1HG LYS 34 8.790 25.467 0.538 227 HG3 LYS 34 2HG LYS 34 7.442 24.880 -0.439 228 HD2 LYS 34 1HD LYS 34 6.968 27.478 -0.671 229 HD3 LYS 34 2HD LYS 34 8.700 27.573 -0.345 230 HE2 LYS 34 1HE LYS 34 9.261 26.493 -2.294 231 HE3 LYS 34 2HE LYS 34 7.725 25.633 -2.386 232 HZ1 LYS 34 1HZ LYS 34 8.316 27.706 -3.920 233 HZ2 LYS 34 2HZ LYS 34 7.601 28.530 -2.628 234 HZ3 LYS 34 3HZ LYS 34 6.733 27.335 -3.454 235 H VAL 35 H VAL 35 3.958 25.035 1.249 236 HA VAL 35 HA VAL 35 3.284 22.577 0.094 237 HB VAL 35 HB VAL 35 2.101 25.279 -0.559 238 HG11 VAL 35 1HG1 VAL 35 0.537 24.243 -1.774 239 HG12 VAL 35 2HG1 VAL 35 1.644 22.869 -1.797 240 HG13 VAL 35 3HG1 VAL 35 0.357 22.945 -0.594 241 HG21 VAL 35 1HG2 VAL 35 2.213 24.135 1.911 242 HG22 VAL 35 2HG2 VAL 35 0.960 25.253 1.374 243 HG23 VAL 35 3HG2 VAL 35 0.681 23.514 1.298 244 H ALA 36 H ALA 36 4.227 21.670 -1.607 245 HA ALA 36 HA ALA 36 4.445 23.162 -4.088 246 HB1 ALA 36 1HB ALA 36 6.750 22.558 -2.426 247 HB2 ALA 36 2HB ALA 36 6.898 21.897 -4.056 248 HB3 ALA 36 3HB ALA 36 6.611 23.622 -3.826 249 HA PRO 37 HA PRO 37 3.265 19.274 -5.769 250 HB2 PRO 37 1HB PRO 37 4.128 19.597 -8.323 251 HB3 PRO 37 2HB PRO 37 2.708 20.429 -7.676 252 HG2 PRO 37 1HG PRO 37 5.501 21.446 -8.032 253 HG3 PRO 37 2HG PRO 37 3.963 22.256 -8.380 254 HD2 PRO 37 1HD PRO 37 5.396 22.755 -6.138 255 HD3 PRO 37 2HD PRO 37 3.623 22.834 -6.175 256 H VAL 38 H VAL 38 4.216 17.373 -5.437 257 HA VAL 38 HA VAL 38 7.049 17.060 -6.197 258 HB VAL 38 HB VAL 38 7.411 15.583 -4.376 259 HG11 VAL 38 1HG1 VAL 38 5.718 17.625 -3.016 260 HG12 VAL 38 2HG1 VAL 38 7.342 17.062 -2.619 261 HG13 VAL 38 3HG1 VAL 38 7.095 18.156 -3.981 262 HG21 VAL 38 1HG2 VAL 38 4.426 15.665 -4.020 263 HG22 VAL 38 2HG2 VAL 38 5.452 14.265 -4.333 264 HG23 VAL 38 3HG2 VAL 38 5.516 15.073 -2.767 265 H GLU 39 H GLU 39 7.550 14.552 -6.277 266 HA GLU 39 HA GLU 39 5.374 13.115 -7.607 267 HB2 GLU 39 1HB GLU 39 6.693 14.286 -9.359 268 HB3 GLU 39 2HB GLU 39 8.127 13.427 -8.816 269 HG2 GLU 39 1HG GLU 39 7.477 12.145 -10.596 270 HG3 GLU 39 2HG GLU 39 6.693 11.304 -9.260 271 H TRP 40 H TRP 40 5.365 10.964 -7.226 272 HA TRP 40 HA TRP 40 7.420 9.942 -5.417 273 HB2 TRP 40 1HB TRP 40 4.744 8.769 -6.207 274 HB3 TRP 40 2HB TRP 40 5.838 8.098 -5.000 275 HD1 TRP 40 HD TRP 40 3.730 11.293 -5.587 276 HE1 TRP 40 1HE TRP 40 3.043 12.225 -3.289 277 HE3 TRP 40 3HE TRP 40 6.288 8.034 -2.592 278 HZ2 TRP 40 2HZ TRP 40 3.522 11.654 -0.566 279 HZ3 TRP 40 3HZ TRP 40 6.121 8.296 -0.151 280 HH2 TRP 40 HH TRP 40 4.766 10.069 0.839 281 H LYS 41 H LYS 41 8.691 8.185 -5.853 282 HA LYS 41 HA LYS 41 8.440 6.969 -8.520 283 HB2 LYS 41 1HB LYS 41 10.772 8.337 -7.293 284 HB3 LYS 41 2HB LYS 41 11.103 6.866 -8.198 285 HG2 LYS 41 1HG LYS 41 9.552 8.086 -9.981 286 HG3 LYS 41 2HG LYS 41 10.170 9.510 -9.142 287 HD2 LYS 41 1HD LYS 41 12.443 8.841 -9.580 288 HD3 LYS 41 2HD LYS 41 11.899 7.312 -10.275 289 HE2 LYS 41 1HE LYS 41 11.121 8.314 -12.202 290 HE3 LYS 41 2HE LYS 41 10.914 9.884 -11.427 291 HZ1 LYS 41 1HZ LYS 41 13.440 9.878 -11.254 292 HZ2 LYS 41 2HZ LYS 41 12.768 10.143 -12.783 293 HZ3 LYS 41 3HZ LYS 41 13.406 8.626 -12.392 294 H LYS 42 H LYS 42 9.073 4.812 -8.696 295 HA LYS 42 HA LYS 42 9.452 3.430 -6.121 296 HB2 LYS 42 1HB LYS 42 7.306 2.896 -7.143 297 HB3 LYS 42 2HB LYS 42 8.105 2.455 -8.647 298 HG2 LYS 42 1HG LYS 42 8.943 0.483 -7.779 299 HG3 LYS 42 2HG LYS 42 8.796 1.038 -6.109 300 HD2 LYS 42 1HD LYS 42 6.428 0.791 -6.152 301 HD3 LYS 42 2HD LYS 42 6.425 0.528 -7.897 302 HE2 LYS 42 1HE LYS 42 7.747 -1.299 -5.896 303 HE3 LYS 42 2HE LYS 42 6.133 -1.549 -6.558 304 HZ1 LYS 42 1HZ LYS 42 7.967 -2.798 -7.683 305 HZ2 LYS 42 2HZ LYS 42 8.553 -1.318 -8.253 306 HZ3 LYS 42 3HZ LYS 42 7.015 -1.852 -8.712 307 H GLY 43 H GLY 43 11.359 4.518 -8.303 308 HA2 GLY 43 1HA GLY 43 13.573 3.116 -7.996 309 HA3 GLY 43 2HA GLY 43 12.705 2.041 -9.082 310 HA PRO 44 HA PRO 44 15.124 4.641 -11.910 311 HB2 PRO 44 1HB PRO 44 15.162 2.797 -13.902 312 HB3 PRO 44 2HB PRO 44 16.286 2.760 -12.538 313 HG2 PRO 44 1HG PRO 44 13.772 1.191 -12.964 314 HG3 PRO 44 2HG PRO 44 15.340 0.645 -12.341 315 HD2 PRO 44 1HD PRO 44 13.242 1.199 -10.722 316 HD3 PRO 44 2HD PRO 44 14.926 1.463 -10.226 317 H GLU 45 H GLU 45 11.959 3.796 -11.735 318 HA GLU 45 HA GLU 45 11.331 5.069 -14.319 319 HB2 GLU 45 1HB GLU 45 10.132 2.723 -12.943 320 HB3 GLU 45 2HB GLU 45 9.034 3.801 -13.792 321 HG2 GLU 45 1HG GLU 45 11.434 2.457 -15.012 322 HG3 GLU 45 2HG GLU 45 9.766 1.911 -15.172 323 H THR 46 H THR 46 8.901 5.887 -14.185 324 HA THR 46 HA THR 46 8.683 7.471 -11.708 325 HB THR 46 HB THR 46 7.733 8.322 -14.448 326 HG1 THR 46 1HG THR 46 9.897 9.560 -13.171 327 HG21 THR 46 1HG2 THR 46 8.244 10.180 -12.173 328 HG22 THR 46 2HG2 THR 46 6.761 9.226 -12.167 329 HG23 THR 46 3HG2 THR 46 7.100 10.320 -13.507 330 H LEU 47 H LEU 47 6.725 7.612 -10.710 331 HA LEU 47 HA LEU 47 4.628 5.835 -11.729 332 HB2 LEU 47 1HB LEU 47 4.879 7.073 -8.995 333 HB3 LEU 47 2HB LEU 47 3.756 5.806 -9.485 334 HG LEU 47 HG LEU 47 6.724 5.374 -9.585 335 HD11 LEU 47 1HD1 LEU 47 5.297 4.332 -7.245 336 HD12 LEU 47 2HD1 LEU 47 5.513 6.082 -7.263 337 HD13 LEU 47 3HD1 LEU 47 6.916 5.020 -7.380 338 HD21 LEU 47 1HD2 LEU 47 4.397 3.848 -10.199 339 HD22 LEU 47 2HD2 LEU 47 5.224 3.098 -8.833 340 HD23 LEU 47 3HD2 LEU 47 6.093 3.387 -10.341 341 H ARG 48 H ARG 48 2.371 6.696 -10.666 342 HA ARG 48 HA ARG 48 2.011 9.538 -11.027 343 HB2 ARG 48 1HB ARG 48 1.083 7.536 -13.053 344 HB3 ARG 48 2HB ARG 48 0.124 8.980 -12.757 345 HG2 ARG 48 1HG ARG 48 2.075 10.369 -13.295 346 HG3 ARG 48 2HG ARG 48 3.002 8.907 -13.636 347 HD2 ARG 48 1HD ARG 48 0.402 9.354 -15.030 348 HD3 ARG 48 2HD ARG 48 1.832 10.232 -15.571 349 HE ARG 48 HE ARG 48 1.236 7.522 -16.084 350 HH11 ARG 48 2HH1 ARG 48 3.895 9.617 -15.271 351 HH12 ARG 48 1HH1 ARG 48 5.087 8.614 -16.030 352 HH21 ARG 48 2HH2 ARG 48 2.796 6.194 -17.087 353 HH22 ARG 48 1HH2 ARG 48 4.461 6.668 -17.064 354 H ASP 49 H ASP 49 -0.338 10.141 -10.745 355 HA ASP 49 HA ASP 49 -1.513 8.386 -8.704 356 HB2 ASP 49 1HB ASP 49 -2.431 10.275 -7.678 357 HB3 ASP 49 2HB ASP 49 -0.864 10.849 -8.239 358 H GLY 50 H GLY 50 -3.095 7.125 -9.428 359 HA2 GLY 50 1HA GLY 50 -5.546 7.791 -10.265 360 HA3 GLY 50 2HA GLY 50 -4.640 7.894 -11.767 361 H GLY 51 H GLY 51 -5.689 5.738 -9.191 362 HA2 GLY 51 1HA GLY 51 -6.637 3.604 -10.144 363 HA3 GLY 51 2HA GLY 51 -5.089 3.453 -10.964 364 H ARG 52 H ARG 52 -4.002 1.838 -10.060 365 HA ARG 52 HA ARG 52 -4.382 0.776 -7.531 366 HB2 ARG 52 1HB ARG 52 -2.991 -0.061 -9.604 367 HB3 ARG 52 2HB ARG 52 -1.656 0.712 -8.760 368 HG2 ARG 52 1HG ARG 52 -2.175 -0.674 -6.772 369 HG3 ARG 52 2HG ARG 52 -3.403 -1.509 -7.725 370 HD2 ARG 52 1HD ARG 52 -0.480 -1.357 -8.449 371 HD3 ARG 52 2HD ARG 52 -1.232 -2.712 -7.609 372 HE ARG 52 HE ARG 52 -2.479 -2.031 -10.115 373 HH11 ARG 52 2HH1 ARG 52 -0.002 -3.903 -8.540 374 HH12 ARG 52 1HH1 ARG 52 0.089 -5.086 -9.803 375 HH21 ARG 52 2HH2 ARG 52 -2.368 -3.582 -11.784 376 HH22 ARG 52 1HH2 ARG 52 -1.256 -4.902 -11.648 377 H TYR 53 H TYR 53 -2.126 3.287 -8.582 378 HA TYR 53 HA TYR 53 -1.207 3.640 -5.827 379 HB2 TYR 53 1HB TYR 53 -0.216 4.701 -8.472 380 HB3 TYR 53 2HB TYR 53 0.394 5.291 -6.930 381 HD1 TYR 53 1HD TYR 53 1.659 3.773 -5.438 382 HD2 TYR 53 2HD TYR 53 0.455 2.578 -9.339 383 HE1 TYR 53 1HE TYR 53 3.275 1.920 -5.362 384 HE2 TYR 53 2HE TYR 53 2.067 0.721 -9.274 385 HH TYR 53 HH TYR 53 3.340 -0.561 -7.801 386 H SER 54 H SER 54 -2.404 4.939 -4.610 387 HA SER 54 HA SER 54 -3.581 7.339 -5.850 388 HB2 SER 54 1HB SER 54 -4.591 5.435 -3.801 389 HB3 SER 54 2HB SER 54 -5.007 7.136 -3.588 390 HG SER 54 HG SER 54 -6.403 6.922 -5.131 391 H LEU 55 H LEU 55 -2.579 9.157 -5.334 392 HA LEU 55 HA LEU 55 -1.474 9.441 -2.621 393 HB2 LEU 55 1HB LEU 55 0.193 11.027 -3.937 394 HB3 LEU 55 2HB LEU 55 0.512 9.310 -3.699 395 HG LEU 55 HG LEU 55 -0.902 10.156 -6.180 396 HD11 LEU 55 1HD1 LEU 55 0.727 11.567 -6.748 397 HD12 LEU 55 2HD1 LEU 55 1.750 10.140 -6.910 398 HD13 LEU 55 3HD1 LEU 55 1.753 11.060 -5.406 399 HD21 LEU 55 1HD2 LEU 55 0.705 7.888 -5.186 400 HD22 LEU 55 2HD2 LEU 55 0.928 8.319 -6.882 401 HD23 LEU 55 3HD2 LEU 55 -0.679 7.910 -6.280 402 H LYS 56 H LYS 56 -2.280 11.120 -1.561 403 HA LYS 56 HA LYS 56 -3.502 13.304 -3.117 404 HB2 LYS 56 1HB LYS 56 -5.166 12.104 -1.838 405 HB3 LYS 56 2HB LYS 56 -4.199 12.240 -0.375 406 HG2 LYS 56 1HG LYS 56 -5.779 13.880 -0.064 407 HG3 LYS 56 2HG LYS 56 -4.438 14.794 -0.759 408 HD2 LYS 56 1HD LYS 56 -5.597 14.293 -3.024 409 HD3 LYS 56 2HD LYS 56 -7.016 13.951 -2.031 410 HE2 LYS 56 1HE LYS 56 -5.488 16.489 -1.631 411 HE3 LYS 56 2HE LYS 56 -6.625 16.352 -2.972 412 HZ1 LYS 56 1HZ LYS 56 -8.316 15.668 -1.290 413 HZ2 LYS 56 2HZ LYS 56 -7.790 17.268 -1.145 414 HZ3 LYS 56 3HZ LYS 56 -7.214 16.089 -0.078 415 H GLN 57 H GLN 57 -2.755 15.317 -2.848 416 HA GLN 57 HA GLN 57 -0.558 15.722 -0.976 417 HB2 GLN 57 1HB GLN 57 -0.002 16.509 -3.112 418 HB3 GLN 57 2HB GLN 57 -1.585 17.233 -3.360 419 HG2 GLN 57 1HG GLN 57 -1.092 19.078 -2.054 420 HG3 GLN 57 2HG GLN 57 0.222 18.257 -1.215 421 HE21 GLN 57 1HE2 GLN 57 2.020 19.313 -1.664 422 HE22 GLN 57 2HE2 GLN 57 2.541 19.805 -3.236 423 H ASP 58 H ASP 58 -0.487 17.434 0.517 424 HA ASP 58 HA ASP 58 -2.920 18.956 0.999 425 HB2 ASP 58 1HB ASP 58 -2.859 16.660 2.291 426 HB3 ASP 58 2HB ASP 58 -1.758 17.528 3.357 427 H GLY 59 H GLY 59 -2.520 20.366 3.086 428 HA2 GLY 59 1HA GLY 59 -0.619 22.246 2.563 429 HA3 GLY 59 2HA GLY 59 -1.231 21.935 4.181 430 H THR 60 H THR 60 1.459 21.790 2.116 431 HA THR 60 HA THR 60 3.564 20.887 2.306 432 HB THR 60 HB THR 60 4.731 21.567 4.272 433 HG1 THR 60 1HG THR 60 2.209 21.287 5.462 434 HG21 THR 60 1HG2 THR 60 3.844 23.382 2.821 435 HG22 THR 60 2HG2 THR 60 4.074 23.879 4.497 436 HG23 THR 60 3HG2 THR 60 2.455 23.515 3.899 437 H ARG 61 H ARG 61 1.435 18.943 2.660 438 HA ARG 61 HA ARG 61 3.006 16.871 3.942 439 HB2 ARG 61 1HB ARG 61 0.430 17.892 5.041 440 HB3 ARG 61 2HB ARG 61 0.716 16.158 5.091 441 HG2 ARG 61 1HG ARG 61 2.681 16.446 6.414 442 HG3 ARG 61 2HG ARG 61 2.622 18.198 6.210 443 HD2 ARG 61 1HD ARG 61 0.254 17.947 7.287 444 HD3 ARG 61 2HD ARG 61 0.902 16.418 7.881 445 HE ARG 61 HE ARG 61 2.642 18.625 8.405 446 HH11 ARG 61 2HH1 ARG 61 -0.191 16.938 9.521 447 HH12 ARG 61 1HH1 ARG 61 -0.002 17.442 11.168 448 HH21 ARG 61 2HH2 ARG 61 2.902 19.295 10.570 449 HH22 ARG 61 1HH2 ARG 61 1.757 18.783 11.764 450 H CYS 62 H CYS 62 3.037 15.256 2.538 451 HA CYS 62 HA CYS 62 0.706 14.858 0.788 452 HB2 CYS 62 1HB CYS 62 3.603 14.080 0.400 453 HB3 CYS 62 2HB CYS 62 2.303 13.643 -0.702 454 HG CYS 62 HG CYS 62 3.709 16.689 -0.176 455 H GLU 63 H GLU 63 0.058 12.684 0.291 456 HA GLU 63 HA GLU 63 0.958 10.640 2.191 457 HB2 GLU 63 1HB GLU 63 -1.063 11.649 3.144 458 HB3 GLU 63 2HB GLU 63 -1.934 11.336 1.649 459 HG2 GLU 63 1HG GLU 63 -1.722 8.952 1.983 460 HG3 GLU 63 2HG GLU 63 -0.755 9.218 3.433 461 H LEU 64 H LEU 64 1.484 8.842 1.154 462 HA LEU 64 HA LEU 64 0.344 8.372 -1.515 463 HB2 LEU 64 1HB LEU 64 2.704 8.562 -1.624 464 HB3 LEU 64 2HB LEU 64 2.921 7.498 -0.235 465 HG LEU 64 HG LEU 64 2.044 5.621 -1.636 466 HD11 LEU 64 1HD1 LEU 64 2.148 5.997 -4.112 467 HD12 LEU 64 2HD1 LEU 64 2.198 7.728 -3.781 468 HD13 LEU 64 3HD1 LEU 64 0.794 6.778 -3.295 469 HD21 LEU 64 1HD2 LEU 64 4.360 6.648 -3.147 470 HD22 LEU 64 2HD2 LEU 64 4.137 5.112 -2.310 471 HD23 LEU 64 3HD2 LEU 64 4.552 6.563 -1.396 472 H GLN 65 H GLN 65 -0.921 6.660 -1.868 473 HA GLN 65 HA GLN 65 -0.959 4.512 0.145 474 HB2 GLN 65 1HB GLN 65 -3.231 6.040 -1.062 475 HB3 GLN 65 2HB GLN 65 -3.474 4.365 -0.585 476 HG2 GLN 65 1HG GLN 65 -2.403 5.198 1.666 477 HG3 GLN 65 2HG GLN 65 -2.973 6.764 1.092 478 HE21 GLN 65 1HE2 GLN 65 -5.110 7.228 1.154 479 HE22 GLN 65 2HE2 GLN 65 -6.311 6.170 1.804 480 H ILE 66 H ILE 66 -0.578 2.564 -0.668 481 HA ILE 66 HA ILE 66 -0.835 2.186 -3.572 482 HB ILE 66 HB ILE 66 0.749 0.515 -1.619 483 HG12 ILE 66 1HG1 ILE 66 1.999 2.333 -3.639 484 HG13 ILE 66 2HG1 ILE 66 1.418 3.016 -2.124 485 HG21 ILE 66 1HG2 ILE 66 0.247 0.394 -4.540 486 HG22 ILE 66 2HG2 ILE 66 1.866 -0.007 -3.969 487 HG23 ILE 66 3HG2 ILE 66 0.473 -0.909 -3.373 488 HD11 ILE 66 1HD1 ILE 66 3.674 2.561 -1.757 489 HD12 ILE 66 2HD1 ILE 66 2.822 1.226 -0.981 490 HD13 ILE 66 3HD1 ILE 66 3.581 0.992 -2.556 491 H HIS 67 H HIS 67 -2.727 1.290 -4.084 492 HA HIS 67 HA HIS 67 -4.113 -0.484 -2.285 493 HB2 HIS 67 1HB HIS 67 -4.735 0.412 -5.106 494 HB3 HIS 67 2HB HIS 67 -5.795 -0.604 -4.133 495 HD1 HIS 67 1HD HIS 67 -6.723 0.554 -1.885 496 HD2 HIS 67 2HD HIS 67 -5.033 3.094 -4.705 497 HE1 HIS 67 1HE HIS 67 -7.516 2.860 -1.273 498 HE2 HIS 67 2HE HIS 67 -6.551 4.369 -3.044 499 H ASP 68 H ASP 68 -4.524 -2.666 -2.577 500 HA ASP 68 HA ASP 68 -4.055 -4.819 -3.140 501 HB2 ASP 68 1HB ASP 68 -4.859 -3.721 -5.408 502 HB3 ASP 68 2HB ASP 68 -3.185 -4.000 -5.878 503 H LEU 69 H LEU 69 -2.077 -3.786 -1.724 504 HA LEU 69 HA LEU 69 0.458 -3.518 -2.735 505 HB2 LEU 69 1HB LEU 69 -0.642 -4.513 -0.163 506 HB3 LEU 69 2HB LEU 69 1.073 -4.773 -0.478 507 HG LEU 69 HG LEU 69 -0.271 -2.073 -0.519 508 HD11 LEU 69 1HD1 LEU 69 -0.314 -2.267 1.703 509 HD12 LEU 69 2HD1 LEU 69 1.441 -2.122 1.624 510 HD13 LEU 69 3HD1 LEU 69 0.690 -3.716 1.687 511 HD21 LEU 69 1HD2 LEU 69 2.628 -2.366 -0.098 512 HD22 LEU 69 2HD2 LEU 69 1.729 -1.179 -1.044 513 HD23 LEU 69 3HD2 LEU 69 2.045 -2.782 -1.710 514 H SER 70 H SER 70 2.275 -5.227 -2.178 515 HA SER 70 HA SER 70 1.686 -7.971 -2.573 516 HB2 SER 70 1HB SER 70 1.330 -6.746 -4.896 517 HB3 SER 70 2HB SER 70 3.087 -6.866 -4.971 518 HG SER 70 HG SER 70 1.652 -9.149 -4.250 519 H VAL 71 H VAL 71 3.580 -9.296 -2.599 520 HA VAL 71 HA VAL 71 5.664 -8.379 -0.986 521 HB VAL 71 HB VAL 71 6.881 -10.470 -2.047 522 HG11 VAL 71 1HG1 VAL 71 4.473 -11.281 -0.543 523 HG12 VAL 71 2HG1 VAL 71 6.177 -11.605 -0.221 524 HG13 VAL 71 3HG1 VAL 71 5.480 -10.041 0.204 525 HG21 VAL 71 1HG2 VAL 71 4.073 -11.299 -2.621 526 HG22 VAL 71 2HG2 VAL 71 4.988 -10.434 -3.856 527 HG23 VAL 71 3HG2 VAL 71 5.589 -11.968 -3.226 528 H ALA 72 H ALA 72 5.146 -7.951 -4.325 529 HA ALA 72 HA ALA 72 7.939 -7.593 -5.005 530 HB1 ALA 72 1HB ALA 72 5.484 -6.989 -6.648 531 HB2 ALA 72 2HB ALA 72 7.146 -7.081 -7.230 532 HB3 ALA 72 3HB ALA 72 6.341 -8.531 -6.631 533 H ASP 73 H ASP 73 5.157 -5.618 -4.208 534 HA ASP 73 HA ASP 73 6.198 -3.129 -5.041 535 HB2 ASP 73 1HB ASP 73 3.998 -4.021 -3.238 536 HB3 ASP 73 2HB ASP 73 4.535 -2.348 -3.115 537 H ALA 74 H ALA 74 6.782 -5.106 -2.267 538 HA ALA 74 HA ALA 74 7.722 -3.144 -0.477 539 HB1 ALA 74 1HB ALA 74 9.150 -5.558 -0.054 540 HB2 ALA 74 2HB ALA 74 7.778 -4.917 0.852 541 HB3 ALA 74 3HB ALA 74 7.504 -5.973 -0.532 542 H GLY 75 H GLY 75 9.216 -1.710 -1.163 543 HA2 GLY 75 1HA GLY 75 11.882 -2.712 -1.709 544 HA3 GLY 75 2HA GLY 75 11.137 -1.836 -3.037 545 H GLU 76 H GLU 76 11.724 0.216 -3.147 546 HA GLU 76 HA GLU 76 11.987 1.756 -0.670 547 HB2 GLU 76 1HB GLU 76 14.251 0.996 -1.317 548 HB3 GLU 76 2HB GLU 76 14.048 1.774 -2.881 549 HG2 GLU 76 1HG GLU 76 14.264 3.883 -2.020 550 HG3 GLU 76 2HG GLU 76 13.706 3.404 -0.418 551 H TYR 77 H TYR 77 10.511 3.302 -0.875 552 HA TYR 77 HA TYR 77 9.968 4.441 -3.517 553 HB2 TYR 77 1HB TYR 77 8.467 4.625 -0.900 554 HB3 TYR 77 2HB TYR 77 7.995 5.481 -2.364 555 HD1 TYR 77 1HD TYR 77 8.222 2.203 -0.735 556 HD2 TYR 77 2HD TYR 77 7.010 4.299 -4.234 557 HE1 TYR 77 1HE TYR 77 6.949 0.231 -1.468 558 HE2 TYR 77 2HE TYR 77 5.732 2.332 -4.975 559 HH TYR 77 HH TYR 77 6.158 -0.628 -3.957 560 H SER 78 H SER 78 10.790 6.333 -4.088 561 HA SER 78 HA SER 78 11.710 8.163 -1.967 562 HB2 SER 78 1HB SER 78 12.834 7.959 -4.768 563 HB3 SER 78 2HB SER 78 13.485 8.896 -3.423 564 HG SER 78 HG SER 78 13.401 6.542 -2.455 565 H CYS 79 H CYS 79 11.294 10.351 -2.177 566 HA CYS 79 HA CYS 79 9.449 11.101 -4.349 567 HB2 CYS 79 1HB CYS 79 8.347 10.862 -2.107 568 HB3 CYS 79 2HB CYS 79 9.376 12.162 -1.519 569 HG CYS 79 HG CYS 79 6.919 12.390 -3.883 570 H MET 80 H MET 80 10.343 12.544 -5.652 571 HA MET 80 HA MET 80 12.492 14.254 -4.661 572 HB2 MET 80 1HB MET 80 11.488 13.924 -7.492 573 HB3 MET 80 2HB MET 80 12.972 14.722 -6.989 574 HG2 MET 80 1HG MET 80 13.738 12.524 -6.071 575 HG3 MET 80 2HG MET 80 12.325 11.793 -6.830 576 HE1 MET 80 1HE MET 80 14.106 10.361 -9.541 577 HE2 MET 80 2HE MET 80 15.207 10.467 -8.168 578 HE3 MET 80 3HE MET 80 13.485 10.194 -7.899 579 H CYS 81 H CYS 81 12.243 16.358 -4.255 580 HA CYS 81 HA CYS 81 9.905 17.747 -5.368 581 HB2 CYS 81 1HB CYS 81 9.275 17.207 -3.113 582 HB3 CYS 81 2HB CYS 81 10.824 17.761 -2.490 583 HG CYS 81 HG CYS 81 8.062 19.429 -2.761 584 H GLY 82 H GLY 82 11.102 18.896 -6.850 585 HA2 GLY 82 1HA GLY 82 12.223 20.801 -7.526 586 HA3 GLY 82 2HA GLY 82 12.489 21.196 -5.835 587 H GLN 83 H GLN 83 14.299 20.281 -4.746 588 HA GLN 83 HA GLN 83 16.377 19.248 -6.561 589 HB2 GLN 83 1HB GLN 83 17.967 20.439 -4.885 590 HB3 GLN 83 2HB GLN 83 17.159 21.388 -6.126 591 HG2 GLN 83 1HG GLN 83 15.399 21.927 -4.415 592 HG3 GLN 83 2HG GLN 83 16.454 21.184 -3.213 593 HE21 GLN 83 1HE2 GLN 83 15.630 24.017 -4.746 594 HE22 GLN 83 2HE2 GLN 83 17.008 24.967 -4.321 595 H GLU 84 H GLU 84 15.232 19.398 -3.210 596 HA GLU 84 HA GLU 84 16.989 17.484 -2.147 597 HB2 GLU 84 1HB GLU 84 14.222 18.340 -1.299 598 HB3 GLU 84 2HB GLU 84 15.209 17.223 -0.368 599 HG2 GLU 84 1HG GLU 84 15.576 19.276 0.646 600 HG3 GLU 84 2HG GLU 84 16.985 19.059 -0.389 601 H ARG 85 H ARG 85 16.141 15.355 -1.187 602 HA ARG 85 HA ARG 85 14.111 13.963 -2.646 603 HB2 ARG 85 1HB ARG 85 15.872 13.904 -4.334 604 HB3 ARG 85 2HB ARG 85 17.002 13.244 -3.159 605 HG2 ARG 85 1HG ARG 85 15.836 11.185 -3.058 606 HG3 ARG 85 2HG ARG 85 14.466 11.844 -3.956 607 HD2 ARG 85 1HD ARG 85 15.552 10.682 -5.612 608 HD3 ARG 85 2HD ARG 85 16.274 12.280 -5.798 609 HE ARG 85 HE ARG 85 18.286 11.389 -5.189 610 HH11 ARG 85 2HH1 ARG 85 15.750 9.225 -4.186 611 HH12 ARG 85 1HH1 ARG 85 16.839 7.977 -3.676 612 HH21 ARG 85 2HH2 ARG 85 19.729 9.754 -4.521 613 HH22 ARG 85 1HH2 ARG 85 19.102 8.279 -3.866 614 H THR 86 H THR 86 13.383 12.246 -1.512 615 HA THR 86 HA THR 86 15.048 11.246 0.700 616 HB THR 86 HB THR 86 13.222 12.852 1.453 617 HG1 THR 86 1HG THR 86 12.869 10.253 2.526 618 HG21 THR 86 1HG2 THR 86 11.469 10.508 0.703 619 HG22 THR 86 2HG2 THR 86 11.465 12.091 -0.075 620 HG23 THR 86 3HG2 THR 86 10.956 11.932 1.606 621 H SER 87 H SER 87 14.346 9.119 1.520 622 HA SER 87 HA SER 87 12.834 7.523 -0.418 623 HB2 SER 87 1HB SER 87 14.547 5.758 -0.392 624 HB3 SER 87 2HB SER 87 15.206 7.269 -1.020 625 HG SER 87 HG SER 87 15.513 6.265 1.620 626 H ALA 88 H ALA 88 11.896 5.634 0.428 627 HA ALA 88 HA ALA 88 12.158 5.174 3.305 628 HB1 ALA 88 1HB ALA 88 10.270 6.316 3.681 629 HB2 ALA 88 2HB ALA 88 9.814 6.310 1.977 630 HB3 ALA 88 3HB ALA 88 9.457 4.911 2.990 631 H THR 89 H THR 89 12.408 3.079 3.679 632 HA THR 89 HA THR 89 11.897 1.154 1.583 633 HB THR 89 HB THR 89 13.039 0.803 4.360 634 HG1 THR 89 1HG THR 89 14.960 0.966 3.382 635 HG21 THR 89 1HG2 THR 89 12.244 -1.140 2.290 636 HG22 THR 89 2HG2 THR 89 12.438 -1.352 4.030 637 HG23 THR 89 3HG2 THR 89 13.851 -1.374 2.975 638 H LEU 90 H LEU 90 9.872 0.465 1.316 639 HA LEU 90 HA LEU 90 8.041 0.275 3.549 640 HB2 LEU 90 1HB LEU 90 7.063 1.091 1.579 641 HB3 LEU 90 2HB LEU 90 7.802 -0.169 0.592 642 HG LEU 90 HG LEU 90 6.266 -1.736 2.066 643 HD11 LEU 90 1HD1 LEU 90 5.400 -0.029 3.523 644 HD12 LEU 90 2HD1 LEU 90 4.097 -0.628 2.497 645 HD13 LEU 90 3HD1 LEU 90 4.854 0.926 2.144 646 HD21 LEU 90 1HD2 LEU 90 4.683 -1.746 0.293 647 HD22 LEU 90 2HD2 LEU 90 6.253 -1.371 -0.418 648 HD23 LEU 90 3HD2 LEU 90 5.075 -0.085 -0.153 649 H THR 91 H THR 91 7.130 -1.594 4.363 650 HA THR 91 HA THR 91 8.532 -4.086 3.651 651 HB THR 91 HB THR 91 7.234 -3.368 6.287 652 HG1 THR 91 1HG THR 91 9.991 -3.634 5.606 653 HG21 THR 91 1HG2 THR 91 8.787 -5.797 5.394 654 HG22 THR 91 2HG2 THR 91 7.110 -5.740 5.938 655 HG23 THR 91 3HG2 THR 91 8.419 -5.425 7.077 656 H VAL 92 H VAL 92 7.380 -5.789 2.968 657 HA VAL 92 HA VAL 92 4.449 -5.691 3.260 658 HB VAL 92 HB VAL 92 5.942 -6.708 0.838 659 HG11 VAL 92 1HG1 VAL 92 3.287 -6.281 0.182 660 HG12 VAL 92 2HG1 VAL 92 4.058 -7.842 0.471 661 HG13 VAL 92 3HG1 VAL 92 3.217 -7.016 1.783 662 HG21 VAL 92 1HG2 VAL 92 5.662 -4.721 -0.192 663 HG22 VAL 92 2HG2 VAL 92 4.116 -4.408 0.598 664 HG23 VAL 92 3HG2 VAL 92 5.625 -4.100 1.458 665 H ARG 93 H ARG 93 3.472 -7.522 3.925 666 HA ARG 93 HA ARG 93 5.195 -9.865 4.373 667 HB2 ARG 93 1HB ARG 93 2.893 -8.697 5.881 668 HB3 ARG 93 2HB ARG 93 3.183 -10.428 5.983 669 HG2 ARG 93 1HG ARG 93 5.430 -8.530 6.472 670 HG3 ARG 93 2HG ARG 93 4.229 -8.815 7.733 671 HD2 ARG 93 1HD ARG 93 5.445 -11.165 6.372 672 HD3 ARG 93 2HD ARG 93 6.418 -10.281 7.547 673 HE ARG 93 HE ARG 93 3.925 -10.802 8.695 674 HH11 ARG 93 2HH1 ARG 93 6.744 -12.528 7.602 675 HH12 ARG 93 1HH1 ARG 93 6.545 -13.828 8.729 676 HH21 ARG 93 2HH2 ARG 93 3.653 -12.509 10.184 677 HH22 ARG 93 1HH2 ARG 93 4.786 -13.817 10.197 678 H ALA 94 H ALA 94 4.611 -11.852 3.634 679 HA ALA 94 HA ALA 94 2.551 -11.932 1.602 680 HB1 ALA 94 1HB ALA 94 3.480 -14.456 1.662 681 HB2 ALA 94 2HB ALA 94 4.260 -13.148 0.771 682 HB3 ALA 94 3HB ALA 94 4.854 -13.605 2.367 683 H LEU 95 H LEU 95 0.617 -12.927 1.731 684 HA LEU 95 HA LEU 95 -0.708 -13.342 4.076 685 HB2 LEU 95 1HB LEU 95 -1.132 -14.844 1.497 686 HB3 LEU 95 2HB LEU 95 -2.296 -14.731 2.815 687 HG LEU 95 HG LEU 95 -1.591 -12.760 0.721 688 HD11 LEU 95 1HD1 LEU 95 -3.999 -13.861 2.057 689 HD12 LEU 95 2HD1 LEU 95 -3.681 -13.573 0.347 690 HD13 LEU 95 3HD1 LEU 95 -4.095 -12.225 1.406 691 HD21 LEU 95 1HD2 LEU 95 -2.519 -11.877 3.450 692 HD22 LEU 95 2HD2 LEU 95 -2.212 -10.860 2.042 693 HD23 LEU 95 3HD2 LEU 95 -0.873 -11.680 2.847 694 HA PRO 96 HA PRO 96 0.719 -17.059 5.927 695 HB2 PRO 96 1HB PRO 96 -1.555 -17.949 7.114 696 HB3 PRO 96 2HB PRO 96 -0.646 -16.552 7.705 697 HG2 PRO 96 1HG PRO 96 -3.109 -16.629 6.004 698 HG3 PRO 96 2HG PRO 96 -2.729 -15.571 7.376 699 HD2 PRO 96 1HD PRO 96 -2.485 -14.764 4.803 700 HD3 PRO 96 2HD PRO 96 -1.423 -14.169 6.095 701 H ALA 97 H ALA 97 0.954 -19.191 5.453 702 HA ALA 97 HA ALA 97 -1.066 -20.479 3.754 703 HB1 ALA 97 1HB ALA 97 0.278 -20.562 1.994 704 HB2 ALA 97 2HB ALA 97 1.490 -19.637 2.881 705 HB3 ALA 97 3HB ALA 97 1.502 -21.399 2.950 706 H ARG 98 H ARG 98 -0.478 -22.906 3.512 707 HA ARG 98 HA ARG 98 -0.038 -23.916 6.215 708 HB2 ARG 98 1HB ARG 98 -1.002 -25.364 3.741 709 HB3 ARG 98 2HB ARG 98 -0.977 -26.012 5.376 710 HG2 ARG 98 1HG ARG 98 -2.652 -24.471 6.091 711 HG3 ARG 98 2HG ARG 98 -2.565 -23.591 4.564 712 HD2 ARG 98 1HD ARG 98 -3.152 -25.963 3.568 713 HD3 ARG 98 2HD ARG 98 -3.815 -26.221 5.181 714 HE ARG 98 HE ARG 98 -5.560 -24.871 4.614 715 HH11 ARG 98 2HH1 ARG 98 -2.896 -24.194 2.477 716 HH12 ARG 98 1HH1 ARG 98 -3.798 -23.095 1.488 717 HH21 ARG 98 2HH2 ARG 98 -6.759 -23.425 3.319 718 HH22 ARG 98 1HH2 ARG 98 -5.995 -22.657 1.968 719 H PHE 99 H PHE 99 1.188 -25.986 6.440 720 HA PHE 99 HA PHE 99 3.466 -26.107 4.580 721 HB2 PHE 99 1HB PHE 99 4.312 -24.974 6.502 722 HB3 PHE 99 2HB PHE 99 3.522 -26.104 7.597 723 HD1 PHE 99 2HD PHE 99 4.443 -28.314 7.985 724 HD2 PHE 99 1HD PHE 99 6.372 -25.542 5.394 725 HE1 PHE 99 2HE PHE 99 6.489 -29.678 8.054 726 HE2 PHE 99 1HE PHE 99 8.421 -26.903 5.458 727 HZ PHE 99 HZ PHE 99 8.482 -28.973 6.790 728 H THR 100 H THR 100 4.350 -28.132 4.205 729 HA THR 100 HA THR 100 2.763 -30.315 4.016 730 HB THR 100 HB THR 100 5.716 -30.464 4.652 731 HG1 THR 100 1HG THR 100 4.530 -30.389 2.073 732 HG21 THR 100 1HG2 THR 100 3.695 -32.425 3.812 733 HG22 THR 100 2HG2 THR 100 5.255 -32.669 4.599 734 HG23 THR 100 3HG2 THR 100 5.175 -32.435 2.853 735 H GLU 101 H GLU 101 1.526 -31.184 5.555 736 HA GLU 101 HA GLU 101 0.872 -32.191 7.486 737 HB2 GLU 101 1HB GLU 101 3.821 -32.793 7.509 738 HB3 GLU 101 2HB GLU 101 2.763 -33.339 8.803 739 HG2 GLU 101 1HG GLU 101 1.436 -34.609 7.232 740 HG3 GLU 101 2HG GLU 101 2.406 -34.005 5.890 741 H GLY 102 H GLY 102 1.137 -29.439 7.611 742 HA2 GLY 102 1HA GLY 102 2.619 -28.155 9.438 743 HA3 GLY 102 2HA GLY 102 0.886 -27.884 9.319 744 H SER 103 H SER 103 3.198 -28.393 11.486 745 HA SER 103 HA SER 103 1.450 -29.976 13.254 746 HB2 SER 103 1HB SER 103 3.684 -31.022 12.591 747 HB3 SER 103 2HB SER 103 4.445 -29.757 13.556 748 HG SER 103 HG SER 103 2.768 -31.862 14.391 749 H GLY 104 H GLY 104 1.880 -29.501 15.628 750 HA2 GLY 104 1HA GLY 104 2.916 -26.913 16.309 751 HA3 GLY 104 2HA GLY 104 1.159 -26.944 16.288 752 HA PRO 105 HA PRO 105 3.143 -28.845 20.248 753 HB2 PRO 105 1HB PRO 105 3.436 -26.643 21.808 754 HB3 PRO 105 2HB PRO 105 4.725 -27.263 20.771 755 HG2 PRO 105 1HG PRO 105 2.821 -25.006 20.281 756 HG3 PRO 105 2HG PRO 105 4.563 -25.090 19.960 757 HD2 PRO 105 1HD PRO 105 2.706 -25.433 18.020 758 HD3 PRO 105 2HD PRO 105 4.272 -26.267 18.000 759 H SER 106 H SER 106 1.121 -29.736 20.604 760 HA SER 106 HA SER 106 -1.142 -28.116 21.321 761 HB2 SER 106 1HB SER 106 -1.048 -30.488 20.169 762 HB3 SER 106 2HB SER 106 -1.057 -31.064 21.836 763 HG SER 106 HG SER 106 -3.142 -30.499 20.502 764 H SER 107 H SER 107 -2.145 -27.964 23.328 765 HA SER 107 HA SER 107 -0.343 -28.209 25.587 766 HB2 SER 107 1HB SER 107 -2.061 -26.959 26.820 767 HB3 SER 107 2HB SER 107 -1.668 -26.154 25.301 768 HG SER 107 HG SER 107 -3.552 -27.110 24.408 769 H GLY 108 H GLY 108 -3.680 -29.248 24.855 770 HA2 GLY 108 1HA GLY 108 -3.205 -31.596 26.576 771 HA3 GLY 108 2HA GLY 108 -4.678 -30.651 26.738 Start of MODEL 11 1 H1 GLY 1 H GLY 1 31.775 27.262 1.731 2 HA2 GLY 1 1HA GLY 1 30.755 24.768 0.954 3 HA3 GLY 1 2HA GLY 1 30.168 25.113 2.574 4 H SER 2 H SER 2 28.045 25.060 1.551 5 HA SER 2 HA SER 2 27.427 27.558 0.115 6 HB2 SER 2 1HB SER 2 26.221 24.808 -0.041 7 HB3 SER 2 2HB SER 2 25.298 26.225 -0.542 8 HG SER 2 HG SER 2 26.305 25.754 -2.365 9 H SER 3 H SER 3 27.221 28.731 2.078 10 HA SER 3 HA SER 3 25.217 27.909 4.001 11 HB2 SER 3 1HB SER 3 27.199 30.146 3.818 12 HB3 SER 3 2HB SER 3 25.833 30.299 4.922 13 HG SER 3 HG SER 3 27.898 29.268 5.690 14 H GLY 4 H GLY 4 23.132 28.377 3.833 15 HA2 GLY 4 1HA GLY 4 21.272 29.781 3.557 16 HA3 GLY 4 2HA GLY 4 22.295 30.932 2.709 17 H SER 5 H SER 5 20.605 27.850 2.398 18 HA SER 5 HA SER 5 20.830 28.004 -0.515 19 HB2 SER 5 1HB SER 5 21.277 25.850 0.761 20 HB3 SER 5 2HB SER 5 19.546 25.791 1.091 21 HG SER 5 HG SER 5 19.771 24.653 -0.748 22 H SER 6 H SER 6 19.129 28.355 -1.852 23 HA SER 6 HA SER 6 16.435 28.501 -0.724 24 HB2 SER 6 1HB SER 6 16.063 30.707 -1.841 25 HB3 SER 6 2HB SER 6 17.228 30.780 -0.519 26 HG SER 6 HG SER 6 17.625 31.655 -2.896 27 H GLY 7 H GLY 7 14.853 29.102 -2.621 28 HA2 GLY 7 1HA GLY 7 14.550 28.923 -5.051 29 HA3 GLY 7 2HA GLY 7 15.718 27.610 -5.020 30 HA PRO 8 HA PRO 8 12.111 25.028 -5.064 31 HB2 PRO 8 1HB PRO 8 13.434 22.663 -4.911 32 HB3 PRO 8 2HB PRO 8 13.334 23.613 -6.398 33 HG2 PRO 8 1HG PRO 8 15.560 23.445 -4.404 34 HG3 PRO 8 2HG PRO 8 15.643 23.451 -6.175 35 HD2 PRO 8 1HD PRO 8 16.143 25.656 -4.685 36 HD3 PRO 8 2HD PRO 8 15.417 25.741 -6.303 37 H ALA 9 H ALA 9 10.996 23.612 -3.646 38 HA ALA 9 HA ALA 9 11.422 24.131 -0.888 39 HB1 ALA 9 1HB ALA 9 9.682 21.933 -1.127 40 HB2 ALA 9 2HB ALA 9 9.262 23.629 -0.880 41 HB3 ALA 9 3HB ALA 9 9.371 22.976 -2.515 42 H ARG 10 H ARG 10 11.550 22.379 0.771 43 HA ARG 10 HA ARG 10 13.191 20.106 -0.106 44 HB2 ARG 10 1HB ARG 10 14.795 20.442 1.628 45 HB3 ARG 10 2HB ARG 10 14.623 21.974 0.782 46 HG2 ARG 10 1HG ARG 10 12.977 22.620 2.610 47 HG3 ARG 10 2HG ARG 10 13.583 21.214 3.489 48 HD2 ARG 10 1HD ARG 10 15.561 23.133 2.374 49 HD3 ARG 10 2HD ARG 10 14.640 23.624 3.795 50 HE ARG 10 HE ARG 10 15.789 22.073 5.052 51 HH11 ARG 10 2HH1 ARG 10 16.448 21.585 1.669 52 HH12 ARG 10 1HH1 ARG 10 17.745 20.470 1.948 53 HH21 ARG 10 2HH2 ARG 10 17.495 20.607 5.433 54 HH22 ARG 10 1HH2 ARG 10 18.339 19.914 4.090 55 H PHE 11 H PHE 11 13.617 18.737 2.089 56 HA PHE 11 HA PHE 11 10.922 18.197 3.127 57 HB2 PHE 11 1HB PHE 11 13.354 16.435 2.822 58 HB3 PHE 11 2HB PHE 11 11.930 15.947 3.735 59 HD1 PHE 11 2HD PHE 11 13.262 16.677 0.403 60 HD2 PHE 11 1HD PHE 11 9.884 15.354 2.629 61 HE1 PHE 11 2HE PHE 11 12.213 15.875 -1.673 62 HE2 PHE 11 1HE PHE 11 8.830 14.549 0.557 63 HZ PHE 11 HZ PHE 11 9.994 14.810 -1.598 64 H THR 12 H THR 12 10.504 18.125 5.285 65 HA THR 12 HA THR 12 12.706 18.938 7.068 66 HB THR 12 HB THR 12 11.055 20.004 8.503 67 HG1 THR 12 1HG THR 12 9.177 19.099 6.557 68 HG21 THR 12 1HG2 THR 12 12.028 21.257 6.570 69 HG22 THR 12 2HG2 THR 12 10.455 21.857 7.097 70 HG23 THR 12 3HG2 THR 12 10.579 20.859 5.648 71 H GLN 13 H GLN 13 10.270 16.591 6.444 72 HA GLN 13 HA GLN 13 11.018 15.188 8.919 73 HB2 GLN 13 1HB GLN 13 8.309 15.799 7.849 74 HB3 GLN 13 2HB GLN 13 8.550 14.230 8.606 75 HG2 GLN 13 1HG GLN 13 9.574 15.598 10.548 76 HG3 GLN 13 2HG GLN 13 8.724 16.956 9.812 77 HE21 GLN 13 1HE2 GLN 13 8.257 15.822 12.394 78 HE22 GLN 13 2HE2 GLN 13 6.632 15.235 12.408 79 H ASP 14 H ASP 14 12.195 13.504 8.291 80 HA ASP 14 HA ASP 14 12.486 12.353 5.865 81 HB2 ASP 14 1HB ASP 14 12.353 10.645 8.347 82 HB3 ASP 14 2HB ASP 14 13.376 10.428 6.929 83 H LEU 15 H LEU 15 11.399 11.024 4.526 84 HA LEU 15 HA LEU 15 8.692 10.769 4.518 85 HB2 LEU 15 1HB LEU 15 10.560 10.052 2.803 86 HB3 LEU 15 2HB LEU 15 10.279 8.460 3.506 87 HG LEU 15 HG LEU 15 8.084 10.132 2.299 88 HD11 LEU 15 1HD1 LEU 15 8.438 8.236 0.470 89 HD12 LEU 15 2HD1 LEU 15 10.106 8.385 1.022 90 HD13 LEU 15 3HD1 LEU 15 9.258 9.795 0.388 91 HD21 LEU 15 1HD2 LEU 15 6.825 8.556 3.241 92 HD22 LEU 15 2HD2 LEU 15 8.235 7.593 3.684 93 HD23 LEU 15 3HD2 LEU 15 7.520 7.427 2.079 94 H LYS 16 H LYS 16 7.176 9.225 5.134 95 HA LYS 16 HA LYS 16 8.093 7.332 7.200 96 HB2 LYS 16 1HB LYS 16 6.762 9.189 8.125 97 HB3 LYS 16 2HB LYS 16 5.440 8.776 7.042 98 HG2 LYS 16 1HG LYS 16 6.469 6.662 8.854 99 HG3 LYS 16 2HG LYS 16 5.496 7.961 9.549 100 HD2 LYS 16 1HD LYS 16 4.624 6.360 7.152 101 HD3 LYS 16 2HD LYS 16 4.232 5.898 8.810 102 HE2 LYS 16 1HE LYS 16 3.633 8.674 7.906 103 HE3 LYS 16 2HE LYS 16 2.582 7.363 7.375 104 HZ1 LYS 16 1HZ LYS 16 2.953 6.980 10.079 105 HZ2 LYS 16 2HZ LYS 16 1.554 7.546 9.314 106 HZ3 LYS 16 3HZ LYS 16 2.700 8.643 9.902 107 H THR 17 H THR 17 6.961 5.332 7.371 108 HA THR 17 HA THR 17 5.128 4.605 5.235 109 HB THR 17 HB THR 17 7.262 4.151 4.174 110 HG1 THR 17 1HG THR 17 6.059 2.528 3.499 111 HG21 THR 17 1HG2 THR 17 8.645 2.241 5.286 112 HG22 THR 17 2HG2 THR 17 7.858 2.784 6.768 113 HG23 THR 17 3HG2 THR 17 8.854 3.902 5.838 114 H LYS 18 H LYS 18 4.703 2.081 5.481 115 HA LYS 18 HA LYS 18 4.746 1.256 8.276 116 HB2 LYS 18 1HB LYS 18 2.411 1.010 8.512 117 HB3 LYS 18 2HB LYS 18 2.638 2.614 7.827 118 HG2 LYS 18 1HG LYS 18 0.924 1.843 6.534 119 HG3 LYS 18 2HG LYS 18 2.308 1.350 5.555 120 HD2 LYS 18 1HD LYS 18 2.034 -0.870 6.042 121 HD3 LYS 18 2HD LYS 18 1.299 -0.546 7.614 122 HE2 LYS 18 1HE LYS 18 -0.643 0.445 6.182 123 HE3 LYS 18 2HE LYS 18 0.055 -0.538 4.896 124 HZ1 LYS 18 1HZ LYS 18 -1.408 -2.008 5.804 125 HZ2 LYS 18 2HZ LYS 18 -1.268 -1.382 7.369 126 HZ3 LYS 18 3HZ LYS 18 -0.046 -2.369 6.741 127 H GLU 19 H GLU 19 4.139 -0.993 8.574 128 HA GLU 19 HA GLU 19 4.842 -2.583 6.223 129 HB2 GLU 19 1HB GLU 19 6.210 -3.267 7.954 130 HB3 GLU 19 2HB GLU 19 4.967 -3.022 9.174 131 HG2 GLU 19 1HG GLU 19 4.539 -5.151 7.151 132 HG3 GLU 19 2HG GLU 19 5.730 -5.429 8.421 133 H ALA 20 H ALA 20 3.388 -3.738 5.144 134 HA ALA 20 HA ALA 20 0.911 -4.549 6.494 135 HB1 ALA 20 1HB ALA 20 0.838 -2.407 4.916 136 HB2 ALA 20 2HB ALA 20 0.657 -3.653 3.682 137 HB3 ALA 20 3HB ALA 20 -0.496 -3.557 5.013 138 H SER 21 H SER 21 -0.329 -6.160 5.130 139 HA SER 21 HA SER 21 1.583 -8.096 4.056 140 HB2 SER 21 1HB SER 21 -1.297 -8.416 4.932 141 HB3 SER 21 2HB SER 21 -0.293 -9.721 4.300 142 HG SER 21 HG SER 21 -0.355 -8.636 6.791 143 H GLU 22 H GLU 22 0.733 -9.490 2.224 144 HA GLU 22 HA GLU 22 0.455 -8.025 -0.085 145 HB2 GLU 22 1HB GLU 22 -0.083 -10.858 0.647 146 HB3 GLU 22 2HB GLU 22 -0.713 -10.288 -0.892 147 HG2 GLU 22 1HG GLU 22 1.585 -9.527 -1.473 148 HG3 GLU 22 2HG GLU 22 2.157 -10.301 0.004 149 H GLY 23 H GLY 23 -1.204 -7.236 -1.303 150 HA2 GLY 23 1HA GLY 23 -3.410 -6.839 -1.951 151 HA3 GLY 23 2HA GLY 23 -3.957 -7.844 -0.617 152 H ALA 24 H ALA 24 -2.242 -6.307 1.283 153 HA ALA 24 HA ALA 24 -4.187 -4.449 2.134 154 HB1 ALA 24 1HB ALA 24 -1.293 -4.607 2.969 155 HB2 ALA 24 2HB ALA 24 -2.606 -3.828 3.854 156 HB3 ALA 24 3HB ALA 24 -2.600 -5.579 3.647 157 H THR 25 H THR 25 -3.236 -2.125 2.799 158 HA THR 25 HA THR 25 -2.117 -0.929 0.349 159 HB THR 25 HB THR 25 -4.324 0.182 2.090 160 HG1 THR 25 1HG THR 25 -4.604 -1.461 0.226 161 HG21 THR 25 1HG2 THR 25 -3.932 2.232 1.294 162 HG22 THR 25 2HG2 THR 25 -3.767 1.631 -0.356 163 HG23 THR 25 3HG2 THR 25 -2.376 1.625 0.728 164 H ALA 26 H ALA 26 -0.262 0.086 0.694 165 HA ALA 26 HA ALA 26 0.568 0.720 3.403 166 HB1 ALA 26 1HB ALA 26 1.932 -0.254 1.281 167 HB2 ALA 26 2HB ALA 26 2.339 1.460 1.176 168 HB3 ALA 26 3HB ALA 26 2.683 0.561 2.654 169 H THR 27 H THR 27 0.738 2.712 4.263 170 HA THR 27 HA THR 27 0.078 5.001 2.525 171 HB THR 27 HB THR 27 -0.566 4.687 5.464 172 HG1 THR 27 1HG THR 27 -1.927 3.422 4.136 173 HG21 THR 27 1HG2 THR 27 -0.130 7.010 4.843 174 HG22 THR 27 2HG2 THR 27 -1.845 6.763 5.172 175 HG23 THR 27 3HG2 THR 27 -1.274 6.878 3.508 176 H LEU 28 H LEU 28 1.698 6.379 2.268 177 HA LEU 28 HA LEU 28 3.697 6.620 4.419 178 HB2 LEU 28 1HB LEU 28 4.104 7.099 1.472 179 HB3 LEU 28 2HB LEU 28 5.337 7.177 2.729 180 HG LEU 28 HG LEU 28 4.571 4.646 3.074 181 HD11 LEU 28 1HD1 LEU 28 3.424 5.439 0.523 182 HD12 LEU 28 2HD1 LEU 28 3.137 3.998 1.497 183 HD13 LEU 28 3HD1 LEU 28 4.506 4.053 0.387 184 HD21 LEU 28 1HD2 LEU 28 6.454 5.556 0.900 185 HD22 LEU 28 2HD2 LEU 28 6.472 3.993 1.718 186 HD23 LEU 28 3HD2 LEU 28 6.844 5.465 2.617 187 H GLN 29 H GLN 29 4.207 8.613 5.171 188 HA GLN 29 HA GLN 29 2.954 10.926 3.851 189 HB2 GLN 29 1HB GLN 29 2.855 10.080 6.713 190 HB3 GLN 29 2HB GLN 29 2.867 11.799 6.342 191 HG2 GLN 29 1HG GLN 29 0.904 11.384 4.835 192 HG3 GLN 29 2HG GLN 29 0.838 9.751 5.496 193 HE21 GLN 29 1HE2 GLN 29 -0.107 9.418 7.422 194 HE22 GLN 29 2HE2 GLN 29 -0.783 10.662 8.412 195 H CYS 30 H CYS 30 4.161 12.759 3.702 196 HA CYS 30 HA CYS 30 6.697 12.914 5.140 197 HB2 CYS 30 1HB CYS 30 7.976 13.374 3.125 198 HB3 CYS 30 2HB CYS 30 7.197 11.803 2.986 199 HG CYS 30 HG CYS 30 5.281 12.562 1.193 200 H GLU 31 H GLU 31 7.352 14.972 5.594 201 HA GLU 31 HA GLU 31 5.452 17.091 4.906 202 HB2 GLU 31 1HB GLU 31 6.323 16.462 7.321 203 HB3 GLU 31 2HB GLU 31 7.674 17.488 6.861 204 HG2 GLU 31 1HG GLU 31 6.075 19.310 6.380 205 HG3 GLU 31 2HG GLU 31 4.773 18.277 6.967 206 H LEU 32 H LEU 32 6.337 19.272 4.482 207 HA LEU 32 HA LEU 32 8.974 19.241 3.197 208 HB2 LEU 32 1HB LEU 32 6.414 20.241 1.963 209 HB3 LEU 32 2HB LEU 32 8.020 20.580 1.322 210 HG LEU 32 HG LEU 32 7.010 17.770 1.657 211 HD11 LEU 32 1HD1 LEU 32 6.205 19.788 -0.308 212 HD12 LEU 32 2HD1 LEU 32 5.436 18.266 0.143 213 HD13 LEU 32 3HD1 LEU 32 6.776 18.271 -1.004 214 HD21 LEU 32 1HD2 LEU 32 8.640 17.715 -0.445 215 HD22 LEU 32 2HD2 LEU 32 9.228 17.561 1.211 216 HD23 LEU 32 3HD2 LEU 32 9.323 19.115 0.382 217 H SER 33 H SER 33 9.859 21.397 2.825 218 HA SER 33 HA SER 33 9.557 23.061 5.088 219 HB2 SER 33 1HB SER 33 11.688 23.131 4.122 220 HB3 SER 33 2HB SER 33 11.046 23.315 2.490 221 HG SER 33 HG SER 33 11.407 25.358 2.822 222 H LYS 34 H LYS 34 8.087 23.046 1.944 223 HA LYS 34 HA LYS 34 6.133 24.969 2.746 224 HB2 LYS 34 1HB LYS 34 6.609 26.722 1.194 225 HB3 LYS 34 2HB LYS 34 8.081 26.421 2.107 226 HG2 LYS 34 1HG LYS 34 9.149 25.428 0.302 227 HG3 LYS 34 2HG LYS 34 7.632 25.104 -0.542 228 HD2 LYS 34 1HD LYS 34 8.356 26.903 -1.747 229 HD3 LYS 34 2HD LYS 34 7.460 27.747 -0.481 230 HE2 LYS 34 1HE LYS 34 9.684 27.816 0.785 231 HE3 LYS 34 2HE LYS 34 10.429 27.370 -0.750 232 HZ1 LYS 34 1HZ LYS 34 8.597 29.675 -0.588 233 HZ2 LYS 34 2HZ LYS 34 9.811 29.360 -1.722 234 HZ3 LYS 34 3HZ LYS 34 10.223 29.841 -0.153 235 H VAL 35 H VAL 35 4.456 25.269 1.121 236 HA VAL 35 HA VAL 35 3.667 22.910 -0.111 237 HB VAL 35 HB VAL 35 2.827 25.717 -0.850 238 HG11 VAL 35 1HG1 VAL 35 0.746 24.595 -1.624 239 HG12 VAL 35 2HG1 VAL 35 2.172 24.182 -2.577 240 HG13 VAL 35 3HG1 VAL 35 1.545 23.042 -1.386 241 HG21 VAL 35 1HG2 VAL 35 2.593 24.906 1.584 242 HG22 VAL 35 2HG2 VAL 35 1.178 25.601 0.792 243 HG23 VAL 35 3HG2 VAL 35 1.327 23.851 0.954 244 H ALA 36 H ALA 36 4.629 21.879 -1.727 245 HA ALA 36 HA ALA 36 5.205 23.286 -4.195 246 HB1 ALA 36 1HB ALA 36 7.498 21.648 -3.595 247 HB2 ALA 36 2HB ALA 36 7.422 23.346 -4.067 248 HB3 ALA 36 3HB ALA 36 7.277 22.896 -2.368 249 HA PRO 37 HA PRO 37 3.937 19.489 -5.998 250 HB2 PRO 37 1HB PRO 37 5.315 19.530 -8.336 251 HB3 PRO 37 2HB PRO 37 3.935 20.586 -8.016 252 HG2 PRO 37 1HG PRO 37 6.862 21.189 -7.841 253 HG3 PRO 37 2HG PRO 37 5.554 22.177 -8.518 254 HD2 PRO 37 1HD PRO 37 6.585 22.617 -6.053 255 HD3 PRO 37 2HD PRO 37 4.883 22.934 -6.447 256 H VAL 38 H VAL 38 4.511 17.366 -6.059 257 HA VAL 38 HA VAL 38 7.373 16.701 -5.910 258 HB VAL 38 HB VAL 38 7.007 15.080 -4.182 259 HG11 VAL 38 1HG1 VAL 38 6.400 16.507 -2.313 260 HG12 VAL 38 2HG1 VAL 38 7.378 17.405 -3.474 261 HG13 VAL 38 3HG1 VAL 38 5.633 17.653 -3.412 262 HG21 VAL 38 1HG2 VAL 38 4.146 15.613 -4.764 263 HG22 VAL 38 2HG2 VAL 38 4.966 14.091 -4.413 264 HG23 VAL 38 3HG2 VAL 38 4.585 15.210 -3.104 265 H GLU 39 H GLU 39 7.534 14.143 -6.015 266 HA GLU 39 HA GLU 39 5.566 12.893 -7.704 267 HB2 GLU 39 1HB GLU 39 6.989 14.332 -9.245 268 HB3 GLU 39 2HB GLU 39 8.328 13.261 -8.856 269 HG2 GLU 39 1HG GLU 39 7.291 11.418 -9.881 270 HG3 GLU 39 2HG GLU 39 5.734 12.241 -9.964 271 H TRP 40 H TRP 40 5.414 10.996 -6.710 272 HA TRP 40 HA TRP 40 7.552 9.811 -5.251 273 HB2 TRP 40 1HB TRP 40 4.957 8.541 -6.149 274 HB3 TRP 40 2HB TRP 40 6.020 7.958 -4.872 275 HD1 TRP 40 HD TRP 40 3.677 10.934 -5.636 276 HE1 TRP 40 1HE TRP 40 2.842 11.890 -3.397 277 HE3 TRP 40 3HE TRP 40 6.456 8.067 -2.443 278 HZ2 TRP 40 2HZ TRP 40 3.301 11.483 -0.642 279 HZ3 TRP 40 3HZ TRP 40 6.199 8.413 -0.020 280 HH2 TRP 40 HH TRP 40 4.655 10.087 0.860 281 H LYS 41 H LYS 41 8.796 8.015 -5.722 282 HA LYS 41 HA LYS 41 8.594 6.884 -8.419 283 HB2 LYS 41 1HB LYS 41 10.915 8.351 -7.252 284 HB3 LYS 41 2HB LYS 41 11.242 6.966 -8.286 285 HG2 LYS 41 1HG LYS 41 9.529 8.211 -9.873 286 HG3 LYS 41 2HG LYS 41 10.091 9.613 -8.960 287 HD2 LYS 41 1HD LYS 41 12.449 8.813 -9.480 288 HD3 LYS 41 2HD LYS 41 11.706 7.712 -10.643 289 HE2 LYS 41 1HE LYS 41 12.250 9.568 -11.934 290 HE3 LYS 41 2HE LYS 41 10.545 9.818 -11.565 291 HZ1 LYS 41 1HZ LYS 41 11.804 11.040 -9.505 292 HZ2 LYS 41 2HZ LYS 41 11.197 11.820 -10.877 293 HZ3 LYS 41 3HZ LYS 41 12.830 11.385 -10.804 294 H LYS 42 H LYS 42 9.390 4.781 -8.635 295 HA LYS 42 HA LYS 42 10.062 3.440 -6.097 296 HB2 LYS 42 1HB LYS 42 7.785 2.901 -6.990 297 HB3 LYS 42 2HB LYS 42 8.555 2.231 -8.422 298 HG2 LYS 42 1HG LYS 42 9.461 0.438 -7.246 299 HG3 LYS 42 2HG LYS 42 9.252 1.235 -5.685 300 HD2 LYS 42 1HD LYS 42 6.982 0.782 -5.614 301 HD3 LYS 42 2HD LYS 42 6.862 0.589 -7.364 302 HE2 LYS 42 1HE LYS 42 8.315 -1.309 -5.526 303 HE3 LYS 42 2HE LYS 42 6.664 -1.542 -6.099 304 HZ1 LYS 42 1HZ LYS 42 9.000 -2.310 -7.362 305 HZ2 LYS 42 2HZ LYS 42 8.394 -1.023 -8.276 306 HZ3 LYS 42 3HZ LYS 42 7.428 -2.381 -7.985 307 H GLY 43 H GLY 43 11.932 4.577 -7.974 308 HA2 GLY 43 1HA GLY 43 14.091 3.233 -8.101 309 HA3 GLY 43 2HA GLY 43 13.152 2.143 -9.110 310 HA PRO 44 HA PRO 44 15.240 4.866 -12.100 311 HB2 PRO 44 1HB PRO 44 15.253 3.016 -14.086 312 HB3 PRO 44 2HB PRO 44 16.471 3.059 -12.806 313 HG2 PRO 44 1HG PRO 44 14.038 1.331 -13.049 314 HG3 PRO 44 2HG PRO 44 15.678 0.889 -12.538 315 HD2 PRO 44 1HD PRO 44 13.669 1.320 -10.774 316 HD3 PRO 44 2HD PRO 44 15.364 1.692 -10.401 317 H GLU 45 H GLU 45 12.154 3.793 -11.713 318 HA GLU 45 HA GLU 45 11.263 4.972 -14.263 319 HB2 GLU 45 1HB GLU 45 10.217 2.687 -12.648 320 HB3 GLU 45 2HB GLU 45 9.078 3.654 -13.574 321 HG2 GLU 45 1HG GLU 45 11.526 2.462 -14.827 322 HG3 GLU 45 2HG GLU 45 10.018 1.561 -14.671 323 H THR 46 H THR 46 8.929 5.844 -14.044 324 HA THR 46 HA THR 46 8.756 7.405 -11.549 325 HB THR 46 HB THR 46 7.734 8.332 -14.233 326 HG1 THR 46 1HG THR 46 10.291 8.483 -13.091 327 HG21 THR 46 1HG2 THR 46 7.199 9.244 -11.702 328 HG22 THR 46 2HG2 THR 46 7.065 10.199 -13.179 329 HG23 THR 46 3HG2 THR 46 8.532 10.282 -12.204 330 H LEU 47 H LEU 47 6.780 7.629 -10.572 331 HA LEU 47 HA LEU 47 4.612 5.974 -11.679 332 HB2 LEU 47 1HB LEU 47 5.164 6.759 -8.821 333 HB3 LEU 47 2HB LEU 47 3.797 5.790 -9.365 334 HG LEU 47 HG LEU 47 5.776 4.270 -10.313 335 HD11 LEU 47 1HD1 LEU 47 7.539 4.200 -8.508 336 HD12 LEU 47 2HD1 LEU 47 6.960 5.787 -8.003 337 HD13 LEU 47 3HD1 LEU 47 7.625 5.566 -9.621 338 HD21 LEU 47 1HD2 LEU 47 5.491 2.871 -8.377 339 HD22 LEU 47 2HD2 LEU 47 3.946 3.626 -8.770 340 HD23 LEU 47 3HD2 LEU 47 4.911 4.237 -7.425 341 H ARG 48 H ARG 48 2.386 6.704 -10.843 342 HA ARG 48 HA ARG 48 2.135 9.590 -10.563 343 HB2 ARG 48 1HB ARG 48 1.090 8.028 -12.915 344 HB3 ARG 48 2HB ARG 48 0.359 9.547 -12.417 345 HG2 ARG 48 1HG ARG 48 2.539 10.659 -12.711 346 HG3 ARG 48 2HG ARG 48 3.209 9.134 -13.293 347 HD2 ARG 48 1HD ARG 48 2.671 10.211 -15.265 348 HD3 ARG 48 2HD ARG 48 1.243 9.215 -14.985 349 HE ARG 48 HE ARG 48 0.039 11.140 -14.896 350 HH11 ARG 48 2HH1 ARG 48 3.316 11.864 -13.972 351 HH12 ARG 48 1HH1 ARG 48 3.026 13.561 -13.784 352 HH21 ARG 48 2HH2 ARG 48 -0.356 13.373 -14.651 353 HH22 ARG 48 1HH2 ARG 48 0.937 14.419 -14.169 354 H ASP 49 H ASP 49 -0.457 10.017 -10.702 355 HA ASP 49 HA ASP 49 -1.586 8.168 -8.715 356 HB2 ASP 49 1HB ASP 49 -2.946 9.980 -7.934 357 HB3 ASP 49 2HB ASP 49 -1.300 10.587 -8.089 358 H GLY 50 H GLY 50 -3.023 6.764 -9.465 359 HA2 GLY 50 1HA GLY 50 -5.080 7.683 -11.324 360 HA3 GLY 50 2HA GLY 50 -4.063 6.355 -11.863 361 H GLY 51 H GLY 51 -4.492 4.317 -11.182 362 HA2 GLY 51 1HA GLY 51 -6.865 4.016 -9.466 363 HA3 GLY 51 2HA GLY 51 -6.297 2.833 -10.634 364 H ARG 52 H ARG 52 -4.404 1.594 -10.129 365 HA ARG 52 HA ARG 52 -4.359 0.379 -7.705 366 HB2 ARG 52 1HB ARG 52 -2.164 0.825 -9.707 367 HB3 ARG 52 2HB ARG 52 -1.859 -0.072 -8.225 368 HG2 ARG 52 1HG ARG 52 -3.873 -1.505 -8.917 369 HG3 ARG 52 2HG ARG 52 -3.660 -0.774 -10.510 370 HD2 ARG 52 1HD ARG 52 -1.655 -2.407 -8.963 371 HD3 ARG 52 2HD ARG 52 -2.474 -2.860 -10.457 372 HE ARG 52 HE ARG 52 -1.045 -0.478 -10.877 373 HH11 ARG 52 2HH1 ARG 52 -0.502 -3.870 -10.310 374 HH12 ARG 52 1HH1 ARG 52 1.006 -3.904 -11.163 375 HH21 ARG 52 2HH2 ARG 52 0.938 -0.511 -12.003 376 HH22 ARG 52 1HH2 ARG 52 1.824 -1.993 -12.125 377 H TYR 53 H TYR 53 -2.552 3.278 -8.615 378 HA TYR 53 HA TYR 53 -1.659 3.557 -5.829 379 HB2 TYR 53 1HB TYR 53 -0.587 4.570 -8.440 380 HB3 TYR 53 2HB TYR 53 -0.191 5.410 -6.945 381 HD1 TYR 53 2HD TYR 53 -0.498 1.774 -7.750 382 HD2 TYR 53 1HD TYR 53 2.010 4.940 -6.412 383 HE1 TYR 53 2HE TYR 53 1.307 0.158 -7.327 384 HE2 TYR 53 1HE TYR 53 3.822 3.333 -5.987 385 HH TYR 53 HH TYR 53 3.342 0.005 -5.890 386 H SER 54 H SER 54 -2.211 5.300 -4.615 387 HA SER 54 HA SER 54 -3.711 7.480 -5.865 388 HB2 SER 54 1HB SER 54 -4.764 5.531 -3.880 389 HB3 SER 54 2HB SER 54 -5.211 7.222 -3.658 390 HG SER 54 HG SER 54 -6.684 6.049 -5.000 391 H LEU 55 H LEU 55 -2.760 9.305 -5.282 392 HA LEU 55 HA LEU 55 -1.759 9.563 -2.528 393 HB2 LEU 55 1HB LEU 55 -0.049 11.173 -3.754 394 HB3 LEU 55 2HB LEU 55 0.271 9.455 -3.523 395 HG LEU 55 HG LEU 55 -1.044 10.322 -6.051 396 HD11 LEU 55 1HD1 LEU 55 0.602 11.847 -6.340 397 HD12 LEU 55 2HD1 LEU 55 1.509 10.415 -6.825 398 HD13 LEU 55 3HD1 LEU 55 1.688 11.061 -5.194 399 HD21 LEU 55 1HD2 LEU 55 0.844 8.508 -6.683 400 HD22 LEU 55 2HD2 LEU 55 -0.796 8.086 -6.192 401 HD23 LEU 55 3HD2 LEU 55 0.515 8.048 -5.012 402 H LYS 56 H LYS 56 -1.948 11.593 -1.583 403 HA LYS 56 HA LYS 56 -3.406 13.626 -3.130 404 HB2 LYS 56 1HB LYS 56 -5.003 12.420 -1.708 405 HB3 LYS 56 2HB LYS 56 -4.017 12.770 -0.294 406 HG2 LYS 56 1HG LYS 56 -4.373 15.232 -0.881 407 HG3 LYS 56 2HG LYS 56 -5.656 14.656 -1.948 408 HD2 LYS 56 1HD LYS 56 -5.579 13.741 0.895 409 HD3 LYS 56 2HD LYS 56 -6.198 15.350 0.515 410 HE2 LYS 56 1HE LYS 56 -7.928 14.475 -0.828 411 HE3 LYS 56 2HE LYS 56 -7.182 12.878 -0.885 412 HZ1 LYS 56 1HZ LYS 56 -8.824 12.574 0.663 413 HZ2 LYS 56 2HZ LYS 56 -8.700 14.139 1.291 414 HZ3 LYS 56 3HZ LYS 56 -7.528 12.980 1.671 415 H GLN 57 H GLN 57 -2.949 15.760 -2.636 416 HA GLN 57 HA GLN 57 -0.572 16.151 -0.953 417 HB2 GLN 57 1HB GLN 57 -0.150 16.838 -3.197 418 HB3 GLN 57 2HB GLN 57 -1.670 17.718 -3.284 419 HG2 GLN 57 1HG GLN 57 -0.866 19.508 -2.130 420 HG3 GLN 57 2HG GLN 57 0.300 18.543 -1.226 421 HE21 GLN 57 1HE2 GLN 57 2.236 19.328 -1.655 422 HE22 GLN 57 2HE2 GLN 57 2.860 19.686 -3.226 423 H ASP 58 H ASP 58 -0.672 17.363 0.831 424 HA ASP 58 HA ASP 58 -3.030 19.079 1.229 425 HB2 ASP 58 1HB ASP 58 -2.887 16.773 2.515 426 HB3 ASP 58 2HB ASP 58 -1.807 17.681 3.569 427 H GLY 59 H GLY 59 -1.932 20.973 0.791 428 HA2 GLY 59 1HA GLY 59 -0.545 22.763 1.174 429 HA3 GLY 59 2HA GLY 59 -0.658 22.293 2.864 430 H THR 60 H THR 60 1.062 21.355 3.850 431 HA THR 60 HA THR 60 3.486 21.048 2.207 432 HB THR 60 HB THR 60 4.779 21.444 4.250 433 HG1 THR 60 1HG THR 60 2.251 21.897 5.491 434 HG21 THR 60 1HG2 THR 60 2.724 23.460 3.420 435 HG22 THR 60 2HG2 THR 60 4.458 23.437 3.099 436 HG23 THR 60 3HG2 THR 60 3.865 23.831 4.712 437 H ARG 61 H ARG 61 1.514 18.970 2.481 438 HA ARG 61 HA ARG 61 3.240 16.900 3.607 439 HB2 ARG 61 1HB ARG 61 0.456 17.529 4.496 440 HB3 ARG 61 2HB ARG 61 0.979 15.851 4.468 441 HG2 ARG 61 1HG ARG 61 2.642 16.225 6.075 442 HG3 ARG 61 2HG ARG 61 2.561 17.976 5.871 443 HD2 ARG 61 1HD ARG 61 0.148 16.474 6.789 444 HD3 ARG 61 2HD ARG 61 1.438 16.836 7.935 445 HE ARG 61 HE ARG 61 0.829 19.205 6.628 446 HH11 ARG 61 2HH1 ARG 61 -0.760 16.923 8.723 447 HH12 ARG 61 1HH1 ARG 61 -1.809 18.106 9.432 448 HH21 ARG 61 2HH2 ARG 61 -0.547 20.771 7.554 449 HH22 ARG 61 1HH2 ARG 61 -1.688 20.294 8.765 450 H CYS 62 H CYS 62 2.952 14.843 2.691 451 HA CYS 62 HA CYS 62 1.082 14.669 0.436 452 HB2 CYS 62 1HB CYS 62 3.986 13.833 0.303 453 HB3 CYS 62 2HB CYS 62 2.802 13.697 -0.991 454 HG CYS 62 HG CYS 62 4.468 16.424 0.108 455 H GLU 63 H GLU 63 -0.149 12.931 0.651 456 HA GLU 63 HA GLU 63 0.877 10.661 2.214 457 HB2 GLU 63 1HB GLU 63 -1.114 11.605 3.184 458 HB3 GLU 63 2HB GLU 63 -1.947 11.559 1.636 459 HG2 GLU 63 1HG GLU 63 -1.857 9.107 1.677 460 HG3 GLU 63 2HG GLU 63 -1.071 9.177 3.254 461 H LEU 64 H LEU 64 1.363 8.849 1.179 462 HA LEU 64 HA LEU 64 0.259 8.436 -1.519 463 HB2 LEU 64 1HB LEU 64 2.603 8.654 -1.672 464 HB3 LEU 64 2HB LEU 64 2.865 7.619 -0.270 465 HG LEU 64 HG LEU 64 2.114 5.679 -1.583 466 HD11 LEU 64 1HD1 LEU 64 1.476 5.777 -3.797 467 HD12 LEU 64 2HD1 LEU 64 2.236 7.347 -4.058 468 HD13 LEU 64 3HD1 LEU 64 0.735 7.237 -3.140 469 HD21 LEU 64 1HD2 LEU 64 4.164 5.335 -2.485 470 HD22 LEU 64 2HD2 LEU 64 4.537 6.804 -1.583 471 HD23 LEU 64 3HD2 LEU 64 4.187 6.893 -3.310 472 H GLN 65 H GLN 65 -1.244 6.919 -1.652 473 HA GLN 65 HA GLN 65 -1.130 4.657 0.233 474 HB2 GLN 65 1HB GLN 65 -3.424 6.241 -0.843 475 HB3 GLN 65 2HB GLN 65 -3.677 4.547 -0.442 476 HG2 GLN 65 1HG GLN 65 -2.727 5.078 1.836 477 HG3 GLN 65 2HG GLN 65 -2.848 6.778 1.387 478 HE21 GLN 65 1HE2 GLN 65 -4.642 7.761 1.956 479 HE22 GLN 65 2HE2 GLN 65 -6.165 7.008 2.268 480 H ILE 66 H ILE 66 -0.389 2.908 -0.767 481 HA ILE 66 HA ILE 66 -0.959 2.514 -3.610 482 HB ILE 66 HB ILE 66 0.880 0.912 -1.829 483 HG12 ILE 66 1HG1 ILE 66 1.852 2.851 -3.888 484 HG13 ILE 66 2HG1 ILE 66 1.341 3.466 -2.319 485 HG21 ILE 66 1HG2 ILE 66 1.857 0.221 -4.027 486 HG22 ILE 66 2HG2 ILE 66 0.222 -0.367 -3.730 487 HG23 ILE 66 3HG2 ILE 66 0.484 1.000 -4.813 488 HD11 ILE 66 1HD1 ILE 66 3.603 1.618 -2.964 489 HD12 ILE 66 2HD1 ILE 66 3.633 3.157 -2.102 490 HD13 ILE 66 3HD1 ILE 66 2.938 1.730 -1.335 491 H HIS 67 H HIS 67 -2.871 1.557 -3.937 492 HA HIS 67 HA HIS 67 -3.925 -0.404 -2.099 493 HB2 HIS 67 1HB HIS 67 -4.968 0.563 -4.770 494 HB3 HIS 67 2HB HIS 67 -5.843 -0.488 -3.660 495 HD1 HIS 67 1HD HIS 67 -6.133 0.695 -1.145 496 HD2 HIS 67 2HD HIS 67 -5.593 3.166 -4.442 497 HE1 HIS 67 1HE HIS 67 -6.966 2.958 -0.433 498 HE2 HIS 67 2HE HIS 67 -6.709 4.416 -2.471 499 H ASP 68 H ASP 68 -4.160 -2.583 -2.437 500 HA ASP 68 HA ASP 68 -3.820 -4.656 -3.329 501 HB2 ASP 68 1HB ASP 68 -4.617 -3.397 -5.470 502 HB3 ASP 68 2HB ASP 68 -2.917 -3.461 -5.929 503 H LEU 69 H LEU 69 -1.898 -3.845 -1.745 504 HA LEU 69 HA LEU 69 0.680 -3.519 -2.759 505 HB2 LEU 69 1HB LEU 69 -0.457 -4.488 -0.186 506 HB3 LEU 69 2HB LEU 69 1.263 -4.728 -0.486 507 HG LEU 69 HG LEU 69 -0.142 -2.057 -0.507 508 HD11 LEU 69 1HD1 LEU 69 1.854 -2.555 1.553 509 HD12 LEU 69 2HD1 LEU 69 0.438 -3.596 1.692 510 HD13 LEU 69 3HD1 LEU 69 0.245 -1.843 1.678 511 HD21 LEU 69 1HD2 LEU 69 2.530 -1.617 -0.151 512 HD22 LEU 69 2HD2 LEU 69 1.670 -1.471 -1.684 513 HD23 LEU 69 3HD2 LEU 69 2.526 -2.963 -1.291 514 H SER 70 H SER 70 2.485 -5.135 -2.494 515 HA SER 70 HA SER 70 1.836 -7.921 -2.749 516 HB2 SER 70 1HB SER 70 2.455 -6.268 -5.153 517 HB3 SER 70 2HB SER 70 3.148 -7.887 -5.066 518 HG SER 70 HG SER 70 1.199 -8.751 -5.220 519 H VAL 71 H VAL 71 3.669 -9.274 -2.658 520 HA VAL 71 HA VAL 71 5.793 -8.351 -1.109 521 HB VAL 71 HB VAL 71 6.945 -10.495 -1.778 522 HG11 VAL 71 1HG1 VAL 71 5.761 -11.607 -0.213 523 HG12 VAL 71 2HG1 VAL 71 4.943 -10.055 -0.024 524 HG13 VAL 71 3HG1 VAL 71 4.220 -11.318 -1.020 525 HG21 VAL 71 1HG2 VAL 71 4.703 -10.484 -3.698 526 HG22 VAL 71 2HG2 VAL 71 6.311 -11.196 -3.833 527 HG23 VAL 71 3HG2 VAL 71 5.053 -12.028 -2.920 528 H ALA 72 H ALA 72 5.304 -8.191 -4.504 529 HA ALA 72 HA ALA 72 8.098 -7.890 -5.176 530 HB1 ALA 72 1HB ALA 72 5.608 -7.467 -6.823 531 HB2 ALA 72 2HB ALA 72 7.259 -7.404 -7.442 532 HB3 ALA 72 3HB ALA 72 6.617 -8.913 -6.791 533 H ASP 73 H ASP 73 5.449 -5.850 -4.283 534 HA ASP 73 HA ASP 73 6.540 -3.421 -5.340 535 HB2 ASP 73 1HB ASP 73 4.287 -4.089 -3.471 536 HB3 ASP 73 2HB ASP 73 4.818 -2.420 -3.659 537 H ALA 74 H ALA 74 6.878 -5.226 -2.393 538 HA ALA 74 HA ALA 74 7.783 -3.239 -0.656 539 HB1 ALA 74 1HB ALA 74 7.426 -5.960 -0.515 540 HB2 ALA 74 2HB ALA 74 9.170 -5.777 -0.329 541 HB3 ALA 74 3HB ALA 74 8.074 -4.935 0.765 542 H GLY 75 H GLY 75 9.287 -1.795 -1.284 543 HA2 GLY 75 1HA GLY 75 11.985 -2.761 -1.724 544 HA3 GLY 75 2HA GLY 75 11.276 -1.917 -3.093 545 H GLU 76 H GLU 76 11.969 0.102 -3.212 546 HA GLU 76 HA GLU 76 12.112 1.682 -0.738 547 HB2 GLU 76 1HB GLU 76 14.391 1.100 -1.243 548 HB3 GLU 76 2HB GLU 76 14.185 1.554 -2.929 549 HG2 GLU 76 1HG GLU 76 13.940 3.877 -2.310 550 HG3 GLU 76 2HG GLU 76 14.038 3.455 -0.601 551 H TYR 77 H TYR 77 10.637 3.226 -0.923 552 HA TYR 77 HA TYR 77 10.008 4.316 -3.565 553 HB2 TYR 77 1HB TYR 77 8.584 4.491 -0.907 554 HB3 TYR 77 2HB TYR 77 8.074 5.381 -2.337 555 HD1 TYR 77 1HD TYR 77 8.494 2.002 -0.905 556 HD2 TYR 77 2HD TYR 77 6.865 4.311 -4.087 557 HE1 TYR 77 1HE TYR 77 7.189 0.053 -1.644 558 HE2 TYR 77 2HE TYR 77 5.555 2.368 -4.833 559 HH TYR 77 HH TYR 77 6.122 -0.577 -4.220 560 H SER 78 H SER 78 11.020 6.096 -4.182 561 HA SER 78 HA SER 78 11.891 8.015 -2.125 562 HB2 SER 78 1HB SER 78 13.014 8.080 -4.892 563 HB3 SER 78 2HB SER 78 13.783 8.486 -3.357 564 HG SER 78 HG SER 78 14.638 6.556 -4.028 565 H CYS 79 H CYS 79 11.363 10.151 -2.304 566 HA CYS 79 HA CYS 79 9.565 10.875 -4.523 567 HB2 CYS 79 1HB CYS 79 8.514 10.642 -2.214 568 HB3 CYS 79 2HB CYS 79 9.450 12.058 -1.751 569 HG CYS 79 HG CYS 79 7.192 12.058 -4.321 570 H MET 80 H MET 80 10.297 12.438 -5.791 571 HA MET 80 HA MET 80 12.503 14.113 -4.843 572 HB2 MET 80 1HB MET 80 11.422 13.635 -7.624 573 HB3 MET 80 2HB MET 80 12.766 14.704 -7.248 574 HG2 MET 80 1HG MET 80 14.050 12.825 -6.402 575 HG3 MET 80 2HG MET 80 12.696 11.743 -6.720 576 HE1 MET 80 1HE MET 80 14.099 10.238 -9.724 577 HE2 MET 80 2HE MET 80 15.067 10.415 -8.261 578 HE3 MET 80 3HE MET 80 13.331 10.122 -8.140 579 H CYS 81 H CYS 81 12.256 16.211 -4.403 580 HA CYS 81 HA CYS 81 9.876 17.600 -5.424 581 HB2 CYS 81 1HB CYS 81 9.329 17.027 -3.153 582 HB3 CYS 81 2HB CYS 81 10.893 17.593 -2.579 583 HG CYS 81 HG CYS 81 8.208 19.439 -3.559 584 H GLY 82 H GLY 82 10.956 18.825 -6.912 585 HA2 GLY 82 1HA GLY 82 12.074 20.713 -7.622 586 HA3 GLY 82 2HA GLY 82 12.364 21.113 -5.935 587 H GLN 83 H GLN 83 14.168 20.080 -4.856 588 HA GLN 83 HA GLN 83 16.238 19.117 -6.713 589 HB2 GLN 83 1HB GLN 83 16.587 21.507 -6.044 590 HB3 GLN 83 2HB GLN 83 16.736 20.966 -4.377 591 HG2 GLN 83 1HG GLN 83 18.595 19.423 -5.305 592 HG3 GLN 83 2HG GLN 83 18.588 20.530 -6.677 593 HE21 GLN 83 1HE2 GLN 83 19.254 22.656 -6.385 594 HE22 GLN 83 2HE2 GLN 83 20.151 23.155 -4.995 595 H GLU 84 H GLU 84 15.168 19.294 -3.337 596 HA GLU 84 HA GLU 84 16.956 17.317 -2.374 597 HB2 GLU 84 1HB GLU 84 14.522 18.682 -1.333 598 HB3 GLU 84 2HB GLU 84 15.027 17.195 -0.543 599 HG2 GLU 84 1HG GLU 84 16.657 19.701 -0.878 600 HG3 GLU 84 2HG GLU 84 15.953 19.084 0.615 601 H ARG 85 H ARG 85 15.984 15.299 -1.231 602 HA ARG 85 HA ARG 85 13.766 14.032 -2.528 603 HB2 ARG 85 1HB ARG 85 15.429 13.737 -4.285 604 HB3 ARG 85 2HB ARG 85 16.558 13.044 -3.128 605 HG2 ARG 85 1HG ARG 85 15.106 11.136 -2.804 606 HG3 ARG 85 2HG ARG 85 13.902 11.844 -3.881 607 HD2 ARG 85 1HD ARG 85 14.963 10.430 -5.334 608 HD3 ARG 85 2HD ARG 85 15.921 11.892 -5.566 609 HE ARG 85 HE ARG 85 16.957 10.162 -3.524 610 HH11 ARG 85 2HH1 ARG 85 16.890 10.821 -6.942 611 HH12 ARG 85 1HH1 ARG 85 18.410 10.050 -7.253 612 HH21 ARG 85 2HH2 ARG 85 18.959 9.143 -3.921 613 HH22 ARG 85 1HH2 ARG 85 19.585 9.095 -5.534 614 H THR 86 H THR 86 13.047 12.236 -1.421 615 HA THR 86 HA THR 86 14.669 11.331 0.859 616 HB THR 86 HB THR 86 12.852 12.994 1.524 617 HG1 THR 86 1HG THR 86 12.588 10.409 2.686 618 HG21 THR 86 1HG2 THR 86 11.095 10.624 0.869 619 HG22 THR 86 2HG2 THR 86 11.088 12.183 0.044 620 HG23 THR 86 3HG2 THR 86 10.582 12.075 1.729 621 H SER 87 H SER 87 14.353 9.192 1.507 622 HA SER 87 HA SER 87 12.664 7.556 -0.267 623 HB2 SER 87 1HB SER 87 14.444 5.781 -0.097 624 HB3 SER 87 2HB SER 87 14.927 7.215 -1.004 625 HG SER 87 HG SER 87 16.583 7.014 0.332 626 H ALA 88 H ALA 88 11.683 5.755 0.646 627 HA ALA 88 HA ALA 88 12.085 5.266 3.501 628 HB1 ALA 88 1HB ALA 88 9.317 5.142 3.193 629 HB2 ALA 88 2HB ALA 88 10.238 6.359 4.078 630 HB3 ALA 88 3HB ALA 88 9.805 6.635 2.391 631 H THR 89 H THR 89 12.645 3.184 3.488 632 HA THR 89 HA THR 89 11.801 1.312 1.531 633 HB THR 89 HB THR 89 13.016 0.773 4.248 634 HG1 THR 89 1HG THR 89 14.676 1.702 3.305 635 HG21 THR 89 1HG2 THR 89 13.801 -1.329 3.105 636 HG22 THR 89 2HG2 THR 89 12.690 -0.942 1.790 637 HG23 THR 89 3HG2 THR 89 12.066 -1.248 3.410 638 H LEU 90 H LEU 90 9.961 0.218 1.395 639 HA LEU 90 HA LEU 90 8.197 0.132 3.738 640 HB2 LEU 90 1HB LEU 90 7.096 1.106 1.903 641 HB3 LEU 90 2HB LEU 90 7.713 -0.109 0.786 642 HG LEU 90 HG LEU 90 6.248 -1.706 2.333 643 HD11 LEU 90 1HD1 LEU 90 5.615 0.269 3.770 644 HD12 LEU 90 2HD1 LEU 90 4.275 -0.695 3.150 645 HD13 LEU 90 3HD1 LEU 90 4.668 0.852 2.400 646 HD21 LEU 90 1HD2 LEU 90 6.078 -1.376 -0.114 647 HD22 LEU 90 2HD2 LEU 90 5.059 0.034 0.175 648 HD23 LEU 90 3HD2 LEU 90 4.510 -1.568 0.670 649 H THR 91 H THR 91 7.308 -1.778 4.484 650 HA THR 91 HA THR 91 8.647 -4.224 3.539 651 HB THR 91 HB THR 91 7.343 -3.770 6.228 652 HG1 THR 91 1HG THR 91 10.127 -3.971 5.849 653 HG21 THR 91 1HG2 THR 91 8.426 -6.095 4.872 654 HG22 THR 91 2HG2 THR 91 7.493 -5.996 6.366 655 HG23 THR 91 3HG2 THR 91 9.244 -5.787 6.403 656 H VAL 92 H VAL 92 7.479 -6.010 2.988 657 HA VAL 92 HA VAL 92 4.547 -5.827 3.185 658 HB VAL 92 HB VAL 92 6.117 -6.762 0.779 659 HG11 VAL 92 1HG1 VAL 92 3.756 -6.891 -0.214 660 HG12 VAL 92 2HG1 VAL 92 4.267 -8.189 0.867 661 HG13 VAL 92 3HG1 VAL 92 3.199 -6.916 1.459 662 HG21 VAL 92 1HG2 VAL 92 4.508 -4.311 1.382 663 HG22 VAL 92 2HG2 VAL 92 6.106 -4.444 0.648 664 HG23 VAL 92 3HG2 VAL 92 4.672 -4.891 -0.276 665 H ARG 93 H ARG 93 3.526 -7.636 3.838 666 HA ARG 93 HA ARG 93 5.197 -9.999 4.352 667 HB2 ARG 93 1HB ARG 93 2.783 -8.846 5.698 668 HB3 ARG 93 2HB ARG 93 3.112 -10.568 5.842 669 HG2 ARG 93 1HG ARG 93 5.285 -8.621 6.441 670 HG3 ARG 93 2HG ARG 93 4.003 -8.884 7.625 671 HD2 ARG 93 1HD ARG 93 5.742 -11.033 6.418 672 HD3 ARG 93 2HD ARG 93 5.953 -10.330 8.020 673 HE ARG 93 HE ARG 93 3.333 -11.356 7.728 674 HH11 ARG 93 2HH1 ARG 93 6.637 -12.358 8.175 675 HH12 ARG 93 1HH1 ARG 93 6.218 -13.832 8.982 676 HH21 ARG 93 2HH2 ARG 93 2.769 -13.295 8.789 677 HH22 ARG 93 1HH2 ARG 93 4.017 -14.365 9.330 678 H ALA 94 H ALA 94 4.877 -11.787 3.208 679 HA ALA 94 HA ALA 94 2.925 -11.922 1.154 680 HB1 ALA 94 1HB ALA 94 5.291 -13.148 1.568 681 HB2 ALA 94 2HB ALA 94 4.179 -14.445 2.007 682 HB3 ALA 94 3HB ALA 94 4.083 -13.704 0.409 683 H LEU 95 H LEU 95 1.125 -13.275 0.948 684 HA LEU 95 HA LEU 95 -0.536 -13.510 3.168 685 HB2 LEU 95 1HB LEU 95 -0.574 -14.879 0.492 686 HB3 LEU 95 2HB LEU 95 -1.841 -15.116 1.694 687 HG LEU 95 HG LEU 95 -1.223 -12.713 0.032 688 HD11 LEU 95 1HD1 LEU 95 -3.830 -12.770 0.131 689 HD12 LEU 95 2HD1 LEU 95 -3.578 -14.433 0.659 690 HD13 LEU 95 3HD1 LEU 95 -2.955 -13.900 -0.902 691 HD21 LEU 95 1HD2 LEU 95 -1.166 -11.709 2.163 692 HD22 LEU 95 2HD2 LEU 95 -2.486 -12.714 2.761 693 HD23 LEU 95 3HD2 LEU 95 -2.806 -11.457 1.565 694 HA PRO 96 HA PRO 96 0.632 -17.194 5.249 695 HB2 PRO 96 1HB PRO 96 -1.779 -18.134 6.070 696 HB3 PRO 96 2HB PRO 96 -1.010 -16.711 6.782 697 HG2 PRO 96 1HG PRO 96 -3.169 -16.861 4.714 698 HG3 PRO 96 2HG PRO 96 -3.037 -15.786 6.118 699 HD2 PRO 96 1HD PRO 96 -2.408 -14.988 3.608 700 HD3 PRO 96 2HD PRO 96 -1.579 -14.358 5.046 701 H ALA 97 H ALA 97 1.295 -19.064 4.418 702 HA ALA 97 HA ALA 97 -0.585 -20.710 2.892 703 HB1 ALA 97 1HB ALA 97 1.093 -21.161 1.163 704 HB2 ALA 97 2HB ALA 97 0.652 -19.454 1.217 705 HB3 ALA 97 3HB ALA 97 2.178 -19.993 1.918 706 H ARG 98 H ARG 98 0.058 -22.952 2.726 707 HA ARG 98 HA ARG 98 0.819 -24.916 3.585 708 HB2 ARG 98 1HB ARG 98 3.026 -23.845 2.906 709 HB3 ARG 98 2HB ARG 98 3.214 -23.385 4.593 710 HG2 ARG 98 1HG ARG 98 2.989 -25.819 5.174 711 HG3 ARG 98 2HG ARG 98 3.090 -26.159 3.445 712 HD2 ARG 98 1HD ARG 98 5.278 -26.411 4.352 713 HD3 ARG 98 2HD ARG 98 5.262 -24.918 3.416 714 HE ARG 98 HE ARG 98 4.692 -24.487 6.185 715 HH11 ARG 98 2HH1 ARG 98 7.245 -24.952 3.864 716 HH12 ARG 98 1HH1 ARG 98 8.434 -24.119 4.809 717 HH21 ARG 98 2HH2 ARG 98 6.249 -23.388 7.439 718 HH22 ARG 98 1HH2 ARG 98 7.866 -23.230 6.843 719 H PHE 99 H PHE 99 -0.950 -23.410 5.153 720 HA PHE 99 HA PHE 99 0.034 -23.730 7.895 721 HB2 PHE 99 1HB PHE 99 -1.092 -21.582 7.124 722 HB3 PHE 99 2HB PHE 99 -2.590 -22.503 7.047 723 HD1 PHE 99 1HD PHE 99 0.219 -22.211 9.491 724 HD2 PHE 99 2HD PHE 99 -3.980 -22.085 8.812 725 HE1 PHE 99 1HE PHE 99 -0.152 -21.796 11.888 726 HE2 PHE 99 2HE PHE 99 -4.359 -21.670 11.207 727 HZ PHE 99 HZ PHE 99 -2.444 -21.524 12.748 728 H THR 100 H THR 100 -0.098 -25.934 8.196 729 HA THR 100 HA THR 100 -2.610 -27.305 7.665 730 HB THR 100 HB THR 100 -1.492 -29.335 8.092 731 HG1 THR 100 1HG THR 100 0.227 -27.714 9.606 732 HG21 THR 100 1HG2 THR 100 -0.127 -27.327 6.482 733 HG22 THR 100 2HG2 THR 100 -0.498 -29.011 6.111 734 HG23 THR 100 3HG2 THR 100 0.952 -28.609 7.031 735 H GLU 101 H GLU 101 -0.958 -25.810 10.281 736 HA GLU 101 HA GLU 101 -2.324 -27.261 12.362 737 HB2 GLU 101 1HB GLU 101 -0.019 -26.122 12.510 738 HB3 GLU 101 2HB GLU 101 -0.918 -24.624 12.708 739 HG2 GLU 101 1HG GLU 101 -1.756 -25.239 14.767 740 HG3 GLU 101 2HG GLU 101 -1.514 -26.959 14.467 741 H GLY 102 H GLY 102 -4.277 -26.842 13.163 742 HA2 GLY 102 1HA GLY 102 -5.367 -24.131 12.976 743 HA3 GLY 102 2HA GLY 102 -6.269 -25.422 12.196 744 H SER 103 H SER 103 -6.204 -27.470 13.906 745 HA SER 103 HA SER 103 -6.627 -26.762 16.627 746 HB2 SER 103 1HB SER 103 -8.689 -25.811 15.484 747 HB3 SER 103 2HB SER 103 -9.147 -27.474 15.119 748 HG SER 103 HG SER 103 -8.710 -27.665 17.574 749 H GLY 104 H GLY 104 -6.940 -28.566 17.956 750 HA2 GLY 104 1HA GLY 104 -7.393 -31.170 16.767 751 HA3 GLY 104 2HA GLY 104 -5.764 -30.915 17.373 752 HA PRO 105 HA PRO 105 -6.974 -31.987 21.441 753 HB2 PRO 105 1HB PRO 105 -5.669 -30.178 22.989 754 HB3 PRO 105 2HB PRO 105 -4.841 -31.485 22.133 755 HG2 PRO 105 1HG PRO 105 -5.131 -28.605 21.368 756 HG3 PRO 105 2HG PRO 105 -3.701 -29.650 21.271 757 HD2 PRO 105 1HD PRO 105 -5.244 -29.088 19.118 758 HD3 PRO 105 2HD PRO 105 -4.402 -30.639 19.310 759 H SER 106 H SER 106 -7.624 -28.763 20.347 760 HA SER 106 HA SER 106 -9.570 -28.379 22.520 761 HB2 SER 106 1HB SER 106 -9.527 -25.980 21.882 762 HB3 SER 106 2HB SER 106 -7.938 -26.576 22.363 763 HG SER 106 HG SER 106 -8.900 -25.986 19.776 764 H SER 107 H SER 107 -11.682 -27.663 22.025 765 HA SER 107 HA SER 107 -12.550 -28.397 19.312 766 HB2 SER 107 1HB SER 107 -14.763 -28.823 20.310 767 HB3 SER 107 2HB SER 107 -13.509 -29.785 21.094 768 HG SER 107 HG SER 107 -15.203 -28.151 22.243 769 H GLY 108 H GLY 108 -14.402 -27.196 18.427 770 HA2 GLY 108 1HA GLY 108 -14.116 -24.339 19.042 771 HA3 GLY 108 2HA GLY 108 -14.743 -25.010 17.543 Start of MODEL 12 1 H1 GLY 1 H GLY 1 21.144 34.528 6.449 2 HA2 GLY 1 1HA GLY 1 18.641 34.641 5.386 3 HA3 GLY 1 2HA GLY 1 19.137 35.624 6.756 4 H SER 2 H SER 2 17.583 35.856 3.973 5 HA SER 2 HA SER 2 18.180 38.679 3.701 6 HB2 SER 2 1HB SER 2 19.792 37.623 2.156 7 HB3 SER 2 2HB SER 2 18.461 36.812 1.333 8 HG SER 2 HG SER 2 19.038 39.577 1.442 9 H SER 3 H SER 3 16.681 39.695 2.038 10 HA SER 3 HA SER 3 14.034 38.459 2.335 11 HB2 SER 3 1HB SER 3 14.908 41.316 1.899 12 HB3 SER 3 2HB SER 3 13.228 40.805 1.736 13 HG SER 3 HG SER 3 14.599 40.080 4.057 14 H GLY 4 H GLY 4 15.696 37.416 0.346 15 HA2 GLY 4 1HA GLY 4 14.736 38.601 -2.160 16 HA3 GLY 4 2HA GLY 4 16.016 37.406 -2.008 17 H SER 5 H SER 5 15.395 35.665 -3.107 18 HA SER 5 HA SER 5 12.603 34.779 -2.889 19 HB2 SER 5 1HB SER 5 12.967 33.533 -4.932 20 HB3 SER 5 2HB SER 5 13.531 35.186 -5.175 21 HG SER 5 HG SER 5 15.171 32.961 -4.521 22 H SER 6 H SER 6 12.154 32.518 -2.611 23 HA SER 6 HA SER 6 14.074 31.254 -0.813 24 HB2 SER 6 1HB SER 6 12.118 29.648 -0.429 25 HB3 SER 6 2HB SER 6 11.889 31.313 0.104 26 HG SER 6 HG SER 6 10.205 31.318 -1.136 27 H GLY 7 H GLY 7 12.138 30.405 -3.681 28 HA2 GLY 7 1HA GLY 7 13.139 29.231 -5.528 29 HA3 GLY 7 2HA GLY 7 14.233 28.460 -4.389 30 HA PRO 8 HA PRO 8 10.983 25.359 -5.373 31 HB2 PRO 8 1HB PRO 8 12.696 23.253 -5.387 32 HB3 PRO 8 2HB PRO 8 12.425 24.279 -6.800 33 HG2 PRO 8 1HG PRO 8 14.658 24.351 -4.808 34 HG3 PRO 8 2HG PRO 8 14.728 24.503 -6.573 35 HD2 PRO 8 1HD PRO 8 14.848 26.644 -4.920 36 HD3 PRO 8 2HD PRO 8 14.109 26.722 -6.532 37 H ALA 9 H ALA 9 9.927 24.056 -3.945 38 HA ALA 9 HA ALA 9 10.400 24.307 -1.203 39 HB1 ALA 9 1HB ALA 9 8.534 22.864 -2.911 40 HB2 ALA 9 2HB ALA 9 8.896 22.015 -1.407 41 HB3 ALA 9 3HB ALA 9 8.268 23.663 -1.361 42 H ARG 10 H ARG 10 10.827 22.544 0.347 43 HA ARG 10 HA ARG 10 12.572 20.429 -0.683 44 HB2 ARG 10 1HB ARG 10 14.220 20.900 1.120 45 HB3 ARG 10 2HB ARG 10 14.110 22.182 -0.078 46 HG2 ARG 10 1HG ARG 10 14.122 23.428 1.823 47 HG3 ARG 10 2HG ARG 10 12.384 23.177 1.648 48 HD2 ARG 10 1HD ARG 10 12.359 21.490 3.294 49 HD3 ARG 10 2HD ARG 10 14.115 21.329 3.265 50 HE ARG 10 HE ARG 10 12.585 23.202 4.787 51 HH11 ARG 10 2HH1 ARG 10 15.638 22.690 3.194 52 HH12 ARG 10 1HH1 ARG 10 16.499 23.806 4.201 53 HH21 ARG 10 2HH2 ARG 10 13.708 24.674 6.120 54 HH22 ARG 10 1HH2 ARG 10 15.400 24.933 5.866 55 H PHE 11 H PHE 11 13.248 18.973 1.273 56 HA PHE 11 HA PHE 11 10.763 18.269 2.632 57 HB2 PHE 11 1HB PHE 11 13.337 16.793 2.117 58 HB3 PHE 11 2HB PHE 11 12.134 16.184 3.249 59 HD1 PHE 11 1HD PHE 11 9.970 15.401 2.465 60 HD2 PHE 11 2HD PHE 11 12.950 16.763 -0.252 61 HE1 PHE 11 1HE PHE 11 8.746 14.355 0.604 62 HE2 PHE 11 2HE PHE 11 11.731 15.719 -2.117 63 HZ PHE 11 HZ PHE 11 9.626 14.514 -1.690 64 H THR 12 H THR 12 10.488 18.280 4.805 65 HA THR 12 HA THR 12 12.713 19.355 6.411 66 HB THR 12 HB THR 12 11.049 20.298 7.927 67 HG1 THR 12 1HG THR 12 8.816 20.174 7.313 68 HG21 THR 12 1HG2 THR 12 10.599 20.982 5.021 69 HG22 THR 12 2HG2 THR 12 11.748 21.733 6.128 70 HG23 THR 12 3HG2 THR 12 10.016 21.954 6.371 71 H GLN 13 H GLN 13 10.529 16.743 6.002 72 HA GLN 13 HA GLN 13 11.588 15.497 8.440 73 HB2 GLN 13 1HB GLN 13 8.739 15.864 7.651 74 HB3 GLN 13 2HB GLN 13 9.187 14.356 8.437 75 HG2 GLN 13 1HG GLN 13 9.650 17.116 9.546 76 HG3 GLN 13 2HG GLN 13 8.364 16.011 10.029 77 HE21 GLN 13 1HE2 GLN 13 8.913 14.109 11.159 78 HE22 GLN 13 2HE2 GLN 13 10.402 13.983 12.027 79 H ASP 14 H ASP 14 12.797 13.864 7.745 80 HA ASP 14 HA ASP 14 12.947 12.671 5.334 81 HB2 ASP 14 1HB ASP 14 13.599 10.532 6.636 82 HB3 ASP 14 2HB ASP 14 14.556 11.989 6.888 83 H LEU 15 H LEU 15 11.612 11.596 4.049 84 HA LEU 15 HA LEU 15 8.982 10.940 4.725 85 HB2 LEU 15 1HB LEU 15 9.310 11.212 2.464 86 HB3 LEU 15 2HB LEU 15 10.799 10.268 2.460 87 HG LEU 15 HG LEU 15 9.277 8.241 2.886 88 HD11 LEU 15 1HD1 LEU 15 7.158 9.839 1.541 89 HD12 LEU 15 2HD1 LEU 15 7.318 9.942 3.294 90 HD13 LEU 15 3HD1 LEU 15 7.023 8.382 2.527 91 HD21 LEU 15 1HD2 LEU 15 9.613 9.776 0.355 92 HD22 LEU 15 2HD2 LEU 15 8.587 8.341 0.353 93 HD23 LEU 15 3HD2 LEU 15 10.282 8.214 0.826 94 H LYS 16 H LYS 16 7.980 9.101 5.391 95 HA LYS 16 HA LYS 16 9.691 6.776 5.978 96 HB2 LYS 16 1HB LYS 16 7.799 8.265 7.718 97 HB3 LYS 16 2HB LYS 16 7.818 6.514 7.877 98 HG2 LYS 16 1HG LYS 16 10.270 8.245 8.084 99 HG3 LYS 16 2HG LYS 16 9.308 7.715 9.466 100 HD2 LYS 16 1HD LYS 16 10.652 5.881 7.481 101 HD3 LYS 16 2HD LYS 16 11.288 6.291 9.077 102 HE2 LYS 16 1HE LYS 16 8.730 4.823 8.450 103 HE3 LYS 16 2HE LYS 16 10.180 4.162 9.205 104 HZ1 LYS 16 1HZ LYS 16 8.299 6.147 10.350 105 HZ2 LYS 16 2HZ LYS 16 9.799 5.785 11.043 106 HZ3 LYS 16 3HZ LYS 16 8.615 4.583 10.912 107 H THR 17 H THR 17 8.064 4.865 6.646 108 HA THR 17 HA THR 17 5.769 4.797 4.844 109 HB THR 17 HB THR 17 7.466 3.931 3.396 110 HG1 THR 17 1HG THR 17 6.361 1.538 4.383 111 HG21 THR 17 1HG2 THR 17 8.229 1.650 5.100 112 HG22 THR 17 2HG2 THR 17 8.828 3.223 5.628 113 HG23 THR 17 3HG2 THR 17 9.209 2.632 4.011 114 H LYS 18 H LYS 18 4.795 2.416 5.036 115 HA LYS 18 HA LYS 18 4.879 1.614 7.865 116 HB2 LYS 18 1HB LYS 18 2.503 1.461 7.982 117 HB3 LYS 18 2HB LYS 18 2.882 3.051 7.334 118 HG2 LYS 18 1HG LYS 18 1.209 2.439 5.920 119 HG3 LYS 18 2HG LYS 18 2.596 1.806 5.030 120 HD2 LYS 18 1HD LYS 18 1.246 -0.036 4.988 121 HD3 LYS 18 2HD LYS 18 2.102 -0.338 6.502 122 HE2 LYS 18 1HE LYS 18 -0.360 -0.664 6.650 123 HE3 LYS 18 2HE LYS 18 0.273 0.530 7.782 124 HZ1 LYS 18 1HZ LYS 18 -0.578 1.602 5.236 125 HZ2 LYS 18 2HZ LYS 18 -0.857 2.178 6.801 126 HZ3 LYS 18 3HZ LYS 18 -1.824 0.942 6.170 127 H GLU 19 H GLU 19 4.009 -0.570 8.251 128 HA GLU 19 HA GLU 19 4.682 -2.335 6.004 129 HB2 GLU 19 1HB GLU 19 5.168 -4.036 7.615 130 HB3 GLU 19 2HB GLU 19 5.957 -2.558 8.148 131 HG2 GLU 19 1HG GLU 19 3.280 -3.438 9.186 132 HG3 GLU 19 2HG GLU 19 4.805 -3.921 9.927 133 H ALA 20 H ALA 20 3.253 -3.768 5.183 134 HA ALA 20 HA ALA 20 0.733 -4.257 6.573 135 HB1 ALA 20 1HB ALA 20 0.793 -3.250 3.732 136 HB2 ALA 20 2HB ALA 20 -0.636 -3.661 4.682 137 HB3 ALA 20 3HB ALA 20 0.357 -2.277 5.137 138 H SER 21 H SER 21 -0.585 -5.937 5.394 139 HA SER 21 HA SER 21 1.214 -8.062 4.537 140 HB2 SER 21 1HB SER 21 -0.418 -8.606 6.267 141 HB3 SER 21 2HB SER 21 -1.738 -8.104 5.211 142 HG SER 21 HG SER 21 -1.521 -10.336 5.113 143 H GLU 22 H GLU 22 0.533 -9.485 2.730 144 HA GLU 22 HA GLU 22 0.407 -8.159 0.324 145 HB2 GLU 22 1HB GLU 22 -0.266 -10.958 1.142 146 HB3 GLU 22 2HB GLU 22 -0.595 -10.439 -0.505 147 HG2 GLU 22 1HG GLU 22 1.685 -10.021 -0.934 148 HG3 GLU 22 2HG GLU 22 2.104 -10.142 0.774 149 H GLY 23 H GLY 23 -1.189 -7.581 -1.119 150 HA2 GLY 23 1HA GLY 23 -3.318 -7.137 -1.905 151 HA3 GLY 23 2HA GLY 23 -3.958 -8.180 -0.644 152 H ALA 24 H ALA 24 -2.135 -6.306 1.142 153 HA ALA 24 HA ALA 24 -4.323 -4.636 1.967 154 HB1 ALA 24 1HB ALA 24 -2.914 -3.965 3.783 155 HB2 ALA 24 2HB ALA 24 -2.726 -5.704 3.552 156 HB3 ALA 24 3HB ALA 24 -1.482 -4.597 2.970 157 H THR 25 H THR 25 -3.504 -2.266 2.653 158 HA THR 25 HA THR 25 -2.368 -1.050 0.219 159 HB THR 25 HB THR 25 -4.454 0.216 2.001 160 HG1 THR 25 1HG THR 25 -4.861 -0.849 -0.604 161 HG21 THR 25 1HG2 THR 25 -4.549 1.960 0.452 162 HG22 THR 25 2HG2 THR 25 -3.747 1.016 -0.803 163 HG23 THR 25 3HG2 THR 25 -2.823 1.621 0.572 164 H ALA 26 H ALA 26 -0.506 -0.051 0.571 165 HA ALA 26 HA ALA 26 0.465 0.463 3.211 166 HB1 ALA 26 1HB ALA 26 2.242 1.740 1.631 167 HB2 ALA 26 2HB ALA 26 2.271 0.004 1.945 168 HB3 ALA 26 3HB ALA 26 1.527 0.621 0.470 169 H THR 27 H THR 27 1.460 2.646 3.732 170 HA THR 27 HA THR 27 0.123 4.953 2.614 171 HB THR 27 HB THR 27 -0.269 4.435 5.559 172 HG1 THR 27 1HG THR 27 -2.378 4.203 3.712 173 HG21 THR 27 1HG2 THR 27 -2.261 6.097 4.531 174 HG22 THR 27 2HG2 THR 27 -0.772 6.636 3.754 175 HG23 THR 27 3HG2 THR 27 -0.879 6.581 5.513 176 H LEU 28 H LEU 28 1.911 6.123 2.263 177 HA LEU 28 HA LEU 28 3.907 6.334 4.408 178 HB2 LEU 28 1HB LEU 28 4.107 7.069 1.492 179 HB3 LEU 28 2HB LEU 28 5.403 7.220 2.676 180 HG LEU 28 HG LEU 28 4.900 4.605 2.932 181 HD11 LEU 28 1HD1 LEU 28 3.605 3.774 1.339 182 HD12 LEU 28 2HD1 LEU 28 4.774 4.312 0.133 183 HD13 LEU 28 3HD1 LEU 28 3.440 5.367 0.599 184 HD21 LEU 28 1HD2 LEU 28 7.064 5.641 2.448 185 HD22 LEU 28 2HD2 LEU 28 6.595 5.834 0.759 186 HD23 LEU 28 3HD2 LEU 28 6.788 4.219 1.442 187 H GLN 29 H GLN 29 4.662 8.355 5.097 188 HA GLN 29 HA GLN 29 3.072 10.680 4.255 189 HB2 GLN 29 1HB GLN 29 3.613 9.713 7.051 190 HB3 GLN 29 2HB GLN 29 3.247 11.402 6.724 191 HG2 GLN 29 1HG GLN 29 1.134 10.650 5.629 192 HG3 GLN 29 2HG GLN 29 1.492 9.020 6.195 193 HE21 GLN 29 1HE2 GLN 29 0.193 8.572 7.820 194 HE22 GLN 29 2HE2 GLN 29 -0.163 9.609 9.155 195 H CYS 30 H CYS 30 4.150 12.608 4.132 196 HA CYS 30 HA CYS 30 6.872 12.805 5.138 197 HB2 CYS 30 1HB CYS 30 7.928 13.173 3.080 198 HB3 CYS 30 2HB CYS 30 6.861 11.812 2.756 199 HG CYS 30 HG CYS 30 5.434 12.924 0.912 200 H GLU 31 H GLU 31 7.667 14.956 5.230 201 HA GLU 31 HA GLU 31 5.534 16.976 5.060 202 HB2 GLU 31 1HB GLU 31 6.819 16.328 7.280 203 HB3 GLU 31 2HB GLU 31 8.026 17.433 6.637 204 HG2 GLU 31 1HG GLU 31 6.593 19.262 6.752 205 HG3 GLU 31 2HG GLU 31 5.157 18.248 6.867 206 H LEU 32 H LEU 32 6.426 19.261 4.747 207 HA LEU 32 HA LEU 32 8.802 19.410 3.085 208 HB2 LEU 32 1HB LEU 32 6.067 20.141 2.052 209 HB3 LEU 32 2HB LEU 32 7.584 20.548 1.254 210 HG LEU 32 HG LEU 32 6.839 17.695 1.809 211 HD11 LEU 32 1HD1 LEU 32 5.098 17.891 0.437 212 HD12 LEU 32 2HD1 LEU 32 6.273 18.141 -0.854 213 HD13 LEU 32 3HD1 LEU 32 5.552 19.528 -0.037 214 HD21 LEU 32 1HD2 LEU 32 9.013 17.689 1.115 215 HD22 LEU 32 2HD2 LEU 32 8.831 19.162 0.162 216 HD23 LEU 32 3HD2 LEU 32 8.205 17.631 -0.452 217 H SER 33 H SER 33 9.536 21.567 2.730 218 HA SER 33 HA SER 33 9.165 23.281 4.928 219 HB2 SER 33 1HB SER 33 11.209 23.184 3.469 220 HB3 SER 33 2HB SER 33 10.298 24.045 2.229 221 HG SER 33 HG SER 33 11.469 24.990 4.509 222 H LYS 34 H LYS 34 7.607 23.087 1.821 223 HA LYS 34 HA LYS 34 5.524 24.861 2.674 224 HB2 LYS 34 1HB LYS 34 5.790 26.599 1.076 225 HB3 LYS 34 2HB LYS 34 7.348 26.413 1.869 226 HG2 LYS 34 1HG LYS 34 8.306 25.386 0.000 227 HG3 LYS 34 2HG LYS 34 6.734 25.048 -0.729 228 HD2 LYS 34 1HD LYS 34 6.541 27.690 -0.639 229 HD3 LYS 34 2HD LYS 34 8.302 27.575 -0.660 230 HE2 LYS 34 1HE LYS 34 7.812 27.680 -2.911 231 HE3 LYS 34 2HE LYS 34 7.896 25.939 -2.645 232 HZ1 LYS 34 1HZ LYS 34 5.281 27.106 -2.245 233 HZ2 LYS 34 2HZ LYS 34 5.722 25.691 -3.060 234 HZ3 LYS 34 3HZ LYS 34 5.850 27.189 -3.836 235 H VAL 35 H VAL 35 3.754 24.971 1.122 236 HA VAL 35 HA VAL 35 3.158 22.490 -0.025 237 HB VAL 35 HB VAL 35 1.897 25.143 -0.730 238 HG11 VAL 35 1HG1 VAL 35 0.262 22.713 -0.669 239 HG12 VAL 35 2HG1 VAL 35 0.310 24.021 -1.852 240 HG13 VAL 35 3HG1 VAL 35 1.503 22.723 -1.921 241 HG21 VAL 35 1HG2 VAL 35 1.958 23.747 1.752 242 HG22 VAL 35 2HG2 VAL 35 1.098 25.231 1.340 243 HG23 VAL 35 3HG2 VAL 35 0.321 23.666 1.099 244 H ALA 36 H ALA 36 4.064 21.590 -1.746 245 HA ALA 36 HA ALA 36 4.295 23.097 -4.215 246 HB1 ALA 36 1HB ALA 36 6.441 23.514 -3.088 247 HB2 ALA 36 2HB ALA 36 6.724 21.775 -3.014 248 HB3 ALA 36 3HB ALA 36 6.635 22.588 -4.576 249 HA PRO 37 HA PRO 37 3.182 19.233 -5.983 250 HB2 PRO 37 1HB PRO 37 4.233 19.503 -8.472 251 HB3 PRO 37 2HB PRO 37 2.798 20.385 -7.934 252 HG2 PRO 37 1HG PRO 37 5.640 21.312 -8.099 253 HG3 PRO 37 2HG PRO 37 4.156 22.165 -8.563 254 HD2 PRO 37 1HD PRO 37 5.442 22.643 -6.229 255 HD3 PRO 37 2HD PRO 37 3.679 22.776 -6.392 256 H VAL 38 H VAL 38 4.052 17.315 -5.547 257 HA VAL 38 HA VAL 38 6.907 16.889 -6.153 258 HB VAL 38 HB VAL 38 7.099 15.410 -4.268 259 HG11 VAL 38 1HG1 VAL 38 7.247 17.932 -3.968 260 HG12 VAL 38 2HG1 VAL 38 5.652 17.827 -3.221 261 HG13 VAL 38 3HG1 VAL 38 7.019 16.969 -2.509 262 HG21 VAL 38 1HG2 VAL 38 5.384 14.420 -3.236 263 HG22 VAL 38 2HG2 VAL 38 4.523 15.945 -3.024 264 HG23 VAL 38 3HG2 VAL 38 4.379 15.054 -4.539 265 H GLU 39 H GLU 39 7.446 14.515 -6.390 266 HA GLU 39 HA GLU 39 5.237 12.960 -7.525 267 HB2 GLU 39 1HB GLU 39 6.279 14.112 -9.412 268 HB3 GLU 39 2HB GLU 39 7.856 13.501 -8.934 269 HG2 GLU 39 1HG GLU 39 7.325 12.028 -10.587 270 HG3 GLU 39 2HG GLU 39 6.688 11.172 -9.184 271 H TRP 40 H TRP 40 5.325 10.841 -7.053 272 HA TRP 40 HA TRP 40 7.546 9.922 -5.408 273 HB2 TRP 40 1HB TRP 40 4.927 8.559 -6.072 274 HB3 TRP 40 2HB TRP 40 6.103 8.014 -4.880 275 HD1 TRP 40 HD TRP 40 3.975 11.211 -5.498 276 HE1 TRP 40 1HE TRP 40 3.191 12.086 -3.208 277 HE3 TRP 40 3HE TRP 40 6.296 7.795 -2.486 278 HZ2 TRP 40 2HZ TRP 40 3.515 11.417 -0.485 279 HZ3 TRP 40 3HZ TRP 40 6.009 7.983 -0.049 280 HH2 TRP 40 HH TRP 40 4.647 9.758 0.928 281 H LYS 41 H LYS 41 8.760 8.068 -5.839 282 HA LYS 41 HA LYS 41 8.490 6.901 -8.518 283 HB2 LYS 41 1HB LYS 41 10.811 8.380 -7.407 284 HB3 LYS 41 2HB LYS 41 11.169 6.917 -8.316 285 HG2 LYS 41 1HG LYS 41 9.492 8.041 -10.041 286 HG3 LYS 41 2HG LYS 41 10.063 9.505 -9.236 287 HD2 LYS 41 1HD LYS 41 12.404 8.717 -9.664 288 HD3 LYS 41 2HD LYS 41 11.722 7.417 -10.645 289 HE2 LYS 41 1HE LYS 41 10.972 8.873 -12.281 290 HE3 LYS 41 2HE LYS 41 10.962 10.257 -11.189 291 HZ1 LYS 41 1HZ LYS 41 12.802 10.649 -12.493 292 HZ2 LYS 41 2HZ LYS 41 13.239 9.018 -12.585 293 HZ3 LYS 41 3HZ LYS 41 13.498 9.883 -11.155 294 H LYS 42 H LYS 42 9.297 4.784 -8.736 295 HA LYS 42 HA LYS 42 9.868 3.432 -6.180 296 HB2 LYS 42 1HB LYS 42 7.690 2.760 -6.935 297 HB3 LYS 42 2HB LYS 42 8.286 2.466 -8.563 298 HG2 LYS 42 1HG LYS 42 9.350 0.499 -7.960 299 HG3 LYS 42 2HG LYS 42 9.391 0.931 -6.248 300 HD2 LYS 42 1HD LYS 42 6.989 0.625 -6.086 301 HD3 LYS 42 2HD LYS 42 6.894 0.285 -7.816 302 HE2 LYS 42 1HE LYS 42 8.528 -1.351 -5.886 303 HE3 LYS 42 2HE LYS 42 6.859 -1.730 -6.308 304 HZ1 LYS 42 1HZ LYS 42 8.168 -1.371 -8.703 305 HZ2 LYS 42 2HZ LYS 42 7.667 -2.840 -8.031 306 HZ3 LYS 42 3HZ LYS 42 9.238 -2.276 -7.756 307 H GLY 43 H GLY 43 11.475 4.536 -8.642 308 HA2 GLY 43 1HA GLY 43 13.784 3.227 -8.477 309 HA3 GLY 43 2HA GLY 43 12.860 2.107 -9.467 310 HA PRO 44 HA PRO 44 14.902 4.723 -12.554 311 HB2 PRO 44 1HB PRO 44 14.746 2.870 -14.531 312 HB3 PRO 44 2HB PRO 44 16.010 2.852 -13.296 313 HG2 PRO 44 1HG PRO 44 13.483 1.254 -13.443 314 HG3 PRO 44 2HG PRO 44 15.115 0.728 -12.990 315 HD2 PRO 44 1HD PRO 44 13.197 1.268 -11.157 316 HD3 PRO 44 2HD PRO 44 14.922 1.552 -10.847 317 H GLU 45 H GLU 45 11.779 3.805 -12.056 318 HA GLU 45 HA GLU 45 10.858 5.013 -14.581 319 HB2 GLU 45 1HB GLU 45 9.784 2.790 -12.916 320 HB3 GLU 45 2HB GLU 45 8.627 3.830 -13.734 321 HG2 GLU 45 1HG GLU 45 10.901 2.610 -15.241 322 HG3 GLU 45 2HG GLU 45 9.442 1.681 -14.901 323 H THR 46 H THR 46 8.605 6.039 -14.296 324 HA THR 46 HA THR 46 8.661 7.687 -11.852 325 HB THR 46 HB THR 46 7.662 8.414 -14.612 326 HG1 THR 46 1HG THR 46 9.898 8.574 -14.473 327 HG21 THR 46 1HG2 THR 46 7.479 9.834 -11.971 328 HG22 THR 46 2HG2 THR 46 6.209 9.542 -13.159 329 HG23 THR 46 3HG2 THR 46 7.476 10.722 -13.494 330 H LEU 47 H LEU 47 6.768 8.072 -10.743 331 HA LEU 47 HA LEU 47 4.454 6.448 -11.573 332 HB2 LEU 47 1HB LEU 47 5.367 7.215 -8.805 333 HB3 LEU 47 2HB LEU 47 3.871 6.357 -9.168 334 HG LEU 47 HG LEU 47 6.439 5.165 -10.090 335 HD11 LEU 47 1HD1 LEU 47 6.290 5.987 -7.498 336 HD12 LEU 47 2HD1 LEU 47 7.237 4.614 -8.072 337 HD13 LEU 47 3HD1 LEU 47 5.629 4.355 -7.397 338 HD21 LEU 47 1HD2 LEU 47 5.191 3.328 -10.337 339 HD22 LEU 47 2HD2 LEU 47 3.805 4.404 -10.159 340 HD23 LEU 47 3HD2 LEU 47 4.426 3.526 -8.760 341 H ARG 48 H ARG 48 2.362 7.291 -11.236 342 HA ARG 48 HA ARG 48 2.094 10.059 -10.396 343 HB2 ARG 48 1HB ARG 48 0.982 10.772 -12.447 344 HB3 ARG 48 2HB ARG 48 2.623 10.240 -12.788 345 HG2 ARG 48 1HG ARG 48 1.931 8.367 -13.917 346 HG3 ARG 48 2HG ARG 48 0.385 8.297 -13.070 347 HD2 ARG 48 1HD ARG 48 1.177 10.344 -15.140 348 HD3 ARG 48 2HD ARG 48 0.109 8.967 -15.409 349 HE ARG 48 HE ARG 48 -0.920 10.464 -13.287 350 HH11 ARG 48 2HH1 ARG 48 -0.371 10.767 -16.712 351 HH12 ARG 48 1HH1 ARG 48 -1.695 11.857 -16.960 352 HH21 ARG 48 2HH2 ARG 48 -2.665 11.899 -13.601 353 HH22 ARG 48 1HH2 ARG 48 -2.998 12.501 -15.189 354 H ASP 49 H ASP 49 -0.023 10.640 -9.838 355 HA ASP 49 HA ASP 49 -1.625 8.653 -8.744 356 HB2 ASP 49 1HB ASP 49 -1.981 10.780 -7.859 357 HB3 ASP 49 2HB ASP 49 -2.108 11.528 -9.449 358 H GLY 50 H GLY 50 -3.265 7.410 -9.460 359 HA2 GLY 50 1HA GLY 50 -5.220 7.331 -11.026 360 HA3 GLY 50 2HA GLY 50 -4.072 7.773 -12.281 361 H GLY 51 H GLY 51 -5.617 5.230 -10.724 362 HA2 GLY 51 1HA GLY 51 -5.472 3.071 -11.881 363 HA3 GLY 51 2HA GLY 51 -3.733 3.312 -11.951 364 H ARG 52 H ARG 52 -2.694 2.001 -10.621 365 HA ARG 52 HA ARG 52 -4.032 1.042 -8.208 366 HB2 ARG 52 1HB ARG 52 -1.691 0.119 -9.828 367 HB3 ARG 52 2HB ARG 52 -1.823 -0.381 -8.147 368 HG2 ARG 52 1HG ARG 52 -4.066 -1.301 -8.641 369 HG3 ARG 52 2HG ARG 52 -3.821 -0.890 -10.340 370 HD2 ARG 52 1HD ARG 52 -1.934 -2.646 -8.787 371 HD3 ARG 52 2HD ARG 52 -3.315 -3.280 -9.681 372 HE ARG 52 HE ARG 52 -1.841 -1.674 -11.418 373 HH11 ARG 52 2HH1 ARG 52 -1.477 -4.649 -9.646 374 HH12 ARG 52 1HH1 ARG 52 -0.379 -5.348 -10.790 375 HH21 ARG 52 2HH2 ARG 52 -0.397 -2.584 -12.932 376 HH22 ARG 52 1HH2 ARG 52 0.235 -4.172 -12.658 377 H TYR 53 H TYR 53 -3.045 3.776 -8.370 378 HA TYR 53 HA TYR 53 -1.449 3.754 -5.944 379 HB2 TYR 53 1HB TYR 53 -0.492 5.011 -8.517 380 HB3 TYR 53 2HB TYR 53 0.155 5.442 -6.938 381 HD1 TYR 53 1HD TYR 53 1.239 3.608 -5.546 382 HD2 TYR 53 2HD TYR 53 0.319 3.136 -9.674 383 HE1 TYR 53 1HE TYR 53 2.828 1.735 -5.680 384 HE2 TYR 53 2HE TYR 53 1.904 1.261 -9.818 385 HH TYR 53 HH TYR 53 4.071 0.482 -7.219 386 H SER 54 H SER 54 -2.120 5.293 -4.595 387 HA SER 54 HA SER 54 -3.652 7.549 -5.713 388 HB2 SER 54 1HB SER 54 -4.198 5.785 -3.356 389 HB3 SER 54 2HB SER 54 -4.746 7.461 -3.318 390 HG SER 54 HG SER 54 -5.475 5.400 -5.104 391 H LEU 55 H LEU 55 -2.607 9.400 -5.467 392 HA LEU 55 HA LEU 55 -1.053 9.825 -3.002 393 HB2 LEU 55 1HB LEU 55 -0.290 11.160 -5.559 394 HB3 LEU 55 2HB LEU 55 0.697 10.806 -4.143 395 HG LEU 55 HG LEU 55 0.258 8.307 -4.937 396 HD11 LEU 55 1HD1 LEU 55 0.170 9.876 -7.509 397 HD12 LEU 55 2HD1 LEU 55 -1.188 8.998 -6.806 398 HD13 LEU 55 3HD1 LEU 55 0.244 8.121 -7.346 399 HD21 LEU 55 1HD2 LEU 55 2.395 8.451 -6.185 400 HD22 LEU 55 2HD2 LEU 55 2.446 9.255 -4.616 401 HD23 LEU 55 3HD2 LEU 55 2.293 10.210 -6.092 402 H LYS 56 H LYS 56 -2.162 11.244 -1.828 403 HA LYS 56 HA LYS 56 -3.525 13.463 -3.189 404 HB2 LYS 56 1HB LYS 56 -4.989 12.138 -1.787 405 HB3 LYS 56 2HB LYS 56 -3.895 12.309 -0.420 406 HG2 LYS 56 1HG LYS 56 -5.425 13.892 0.128 407 HG3 LYS 56 2HG LYS 56 -4.336 14.879 -0.849 408 HD2 LYS 56 1HD LYS 56 -5.780 14.508 -2.804 409 HD3 LYS 56 2HD LYS 56 -6.878 13.557 -1.801 410 HE2 LYS 56 1HE LYS 56 -6.155 16.416 -1.197 411 HE3 LYS 56 2HE LYS 56 -7.534 15.966 -2.198 412 HZ1 LYS 56 1HZ LYS 56 -7.860 16.357 0.320 413 HZ2 LYS 56 2HZ LYS 56 -7.231 14.795 0.485 414 HZ3 LYS 56 3HZ LYS 56 -8.639 15.049 -0.418 415 H GLN 57 H GLN 57 -2.936 15.533 -2.857 416 HA GLN 57 HA GLN 57 -0.521 16.005 -1.304 417 HB2 GLN 57 1HB GLN 57 -0.740 16.881 -3.622 418 HB3 GLN 57 2HB GLN 57 -2.061 17.907 -3.078 419 HG2 GLN 57 1HG GLN 57 -0.323 19.378 -2.994 420 HG3 GLN 57 2HG GLN 57 -0.291 18.750 -1.347 421 HE21 GLN 57 1HE2 GLN 57 1.946 19.810 -1.887 422 HE22 GLN 57 2HE2 GLN 57 3.169 18.685 -2.358 423 H ASP 58 H ASP 58 -0.341 17.669 0.261 424 HA ASP 58 HA ASP 58 -2.757 18.925 1.254 425 HB2 ASP 58 1HB ASP 58 -2.470 16.558 2.300 426 HB3 ASP 58 2HB ASP 58 -1.178 17.310 3.233 427 H GLY 59 H GLY 59 -2.291 20.456 3.038 428 HA2 GLY 59 1HA GLY 59 -0.322 22.257 2.450 429 HA3 GLY 59 2HA GLY 59 -1.020 22.088 4.053 430 H THR 60 H THR 60 1.766 21.735 2.154 431 HA THR 60 HA THR 60 3.869 20.933 2.547 432 HB THR 60 HB THR 60 4.562 21.185 5.049 433 HG1 THR 60 1HG THR 60 2.812 21.504 6.226 434 HG21 THR 60 1HG2 THR 60 4.671 23.672 4.764 435 HG22 THR 60 2HG2 THR 60 3.687 23.491 3.311 436 HG23 THR 60 3HG2 THR 60 5.287 22.754 3.391 437 H ARG 61 H ARG 61 1.707 18.970 2.635 438 HA ARG 61 HA ARG 61 3.189 16.836 3.922 439 HB2 ARG 61 1HB ARG 61 0.540 17.805 4.875 440 HB3 ARG 61 2HB ARG 61 0.808 16.067 4.841 441 HG2 ARG 61 1HG ARG 61 2.560 16.192 6.389 442 HG3 ARG 61 2HG ARG 61 2.736 17.935 6.175 443 HD2 ARG 61 1HD ARG 61 0.140 16.857 7.162 444 HD3 ARG 61 2HD ARG 61 1.505 16.938 8.275 445 HE ARG 61 HE ARG 61 1.327 19.417 7.056 446 HH11 ARG 61 2HH1 ARG 61 -0.650 17.409 9.102 447 HH12 ARG 61 1HH1 ARG 61 -1.450 18.745 9.860 448 HH21 ARG 61 2HH2 ARG 61 0.280 21.184 8.048 449 HH22 ARG 61 1HH2 ARG 61 -0.922 20.892 9.260 450 H CYS 62 H CYS 62 2.797 14.818 3.032 451 HA CYS 62 HA CYS 62 0.754 14.625 0.942 452 HB2 CYS 62 1HB CYS 62 3.687 13.988 0.567 453 HB3 CYS 62 2HB CYS 62 2.421 13.529 -0.566 454 HG CYS 62 HG CYS 62 3.540 16.671 0.154 455 H GLU 63 H GLU 63 -0.109 12.602 0.664 456 HA GLU 63 HA GLU 63 0.984 10.450 2.350 457 HB2 GLU 63 1HB GLU 63 -0.932 11.230 3.525 458 HB3 GLU 63 2HB GLU 63 -1.884 11.327 2.050 459 HG2 GLU 63 1HG GLU 63 -1.860 8.898 1.863 460 HG3 GLU 63 2HG GLU 63 -0.891 8.791 3.331 461 H LEU 64 H LEU 64 1.649 8.855 1.084 462 HA LEU 64 HA LEU 64 0.331 8.418 -1.495 463 HB2 LEU 64 1HB LEU 64 2.610 8.585 -1.854 464 HB3 LEU 64 2HB LEU 64 3.008 7.725 -0.368 465 HG LEU 64 HG LEU 64 2.160 5.631 -1.471 466 HD11 LEU 64 1HD1 LEU 64 1.732 5.548 -3.767 467 HD12 LEU 64 2HD1 LEU 64 2.403 7.156 -4.043 468 HD13 LEU 64 3HD1 LEU 64 0.859 6.976 -3.210 469 HD21 LEU 64 1HD2 LEU 64 4.222 5.161 -2.373 470 HD22 LEU 64 2HD2 LEU 64 4.601 6.565 -1.376 471 HD23 LEU 64 3HD2 LEU 64 4.382 6.752 -3.117 472 H GLN 65 H GLN 65 -0.599 6.488 -2.063 473 HA GLN 65 HA GLN 65 -0.667 4.365 -0.035 474 HB2 GLN 65 1HB GLN 65 -2.955 5.853 -1.223 475 HB3 GLN 65 2HB GLN 65 -3.158 4.128 -0.951 476 HG2 GLN 65 1HG GLN 65 -2.710 4.389 1.392 477 HG3 GLN 65 2HG GLN 65 -2.316 6.092 1.165 478 HE21 GLN 65 1HE2 GLN 65 -4.133 7.356 0.070 479 HE22 GLN 65 2HE2 GLN 65 -5.724 7.067 0.676 480 H ILE 66 H ILE 66 -0.579 2.320 -0.812 481 HA ILE 66 HA ILE 66 -0.537 2.017 -3.744 482 HB ILE 66 HB ILE 66 0.945 0.295 -1.759 483 HG12 ILE 66 1HG1 ILE 66 2.330 2.222 -3.573 484 HG13 ILE 66 2HG1 ILE 66 1.605 2.838 -2.092 485 HG21 ILE 66 1HG2 ILE 66 1.463 -1.013 -3.480 486 HG22 ILE 66 2HG2 ILE 66 0.275 -0.122 -4.430 487 HG23 ILE 66 3HG2 ILE 66 1.969 0.367 -4.453 488 HD11 ILE 66 1HD1 ILE 66 2.965 0.724 -1.126 489 HD12 ILE 66 2HD1 ILE 66 3.994 1.182 -2.484 490 HD13 ILE 66 3HD1 ILE 66 3.614 2.360 -1.228 491 H HIS 67 H HIS 67 -2.610 1.350 -4.108 492 HA HIS 67 HA HIS 67 -3.962 -0.556 -2.481 493 HB2 HIS 67 1HB HIS 67 -4.575 0.289 -5.321 494 HB3 HIS 67 2HB HIS 67 -5.675 -0.540 -4.223 495 HD1 HIS 67 1HD HIS 67 -5.632 1.051 -1.738 496 HD2 HIS 67 2HD HIS 67 -5.405 2.847 -5.478 497 HE1 HIS 67 1HE HIS 67 -6.397 3.422 -1.394 498 HE2 HIS 67 2HE HIS 67 -6.333 4.464 -3.686 499 H ASP 68 H ASP 68 -4.080 -2.724 -2.628 500 HA ASP 68 HA ASP 68 -3.773 -4.859 -3.383 501 HB2 ASP 68 1HB ASP 68 -4.444 -3.811 -5.630 502 HB3 ASP 68 2HB ASP 68 -2.720 -3.763 -5.985 503 H LEU 69 H LEU 69 -1.929 -3.958 -1.735 504 HA LEU 69 HA LEU 69 0.711 -3.754 -2.573 505 HB2 LEU 69 1HB LEU 69 -0.608 -4.618 -0.044 506 HB3 LEU 69 2HB LEU 69 1.131 -4.849 -0.221 507 HG LEU 69 HG LEU 69 -0.228 -2.178 -0.536 508 HD11 LEU 69 1HD1 LEU 69 -0.472 -2.086 1.664 509 HD12 LEU 69 2HD1 LEU 69 1.275 -2.254 1.835 510 HD13 LEU 69 3HD1 LEU 69 0.246 -3.686 1.850 511 HD21 LEU 69 1HD2 LEU 69 1.821 -1.302 -0.849 512 HD22 LEU 69 2HD2 LEU 69 2.229 -2.939 -1.364 513 HD23 LEU 69 3HD2 LEU 69 2.587 -2.418 0.282 514 H SER 70 H SER 70 2.467 -5.358 -2.219 515 HA SER 70 HA SER 70 1.896 -8.143 -2.219 516 HB2 SER 70 1HB SER 70 1.296 -7.184 -4.617 517 HB3 SER 70 2HB SER 70 3.041 -7.302 -4.848 518 HG SER 70 HG SER 70 1.143 -9.290 -4.642 519 H VAL 71 H VAL 71 3.790 -9.436 -2.211 520 HA VAL 71 HA VAL 71 5.969 -8.448 -0.877 521 HB VAL 71 HB VAL 71 7.204 -10.458 -2.084 522 HG11 VAL 71 1HG1 VAL 71 5.047 -11.514 -0.416 523 HG12 VAL 71 2HG1 VAL 71 6.795 -11.551 -0.172 524 HG13 VAL 71 3HG1 VAL 71 5.871 -10.117 0.277 525 HG21 VAL 71 1HG2 VAL 71 5.975 -11.837 -3.361 526 HG22 VAL 71 2HG2 VAL 71 4.538 -11.650 -2.355 527 HG23 VAL 71 3HG2 VAL 71 4.925 -10.436 -3.574 528 H ALA 72 H ALA 72 5.310 -8.321 -4.287 529 HA ALA 72 HA ALA 72 7.992 -7.673 -5.078 530 HB1 ALA 72 1HB ALA 72 7.232 -7.763 -7.210 531 HB2 ALA 72 2HB ALA 72 5.905 -8.636 -6.441 532 HB3 ALA 72 3HB ALA 72 5.728 -6.924 -6.827 533 H ASP 73 H ASP 73 5.129 -5.891 -4.148 534 HA ASP 73 HA ASP 73 5.934 -3.350 -5.093 535 HB2 ASP 73 1HB ASP 73 3.956 -4.291 -3.039 536 HB3 ASP 73 2HB ASP 73 4.302 -2.573 -3.217 537 H ALA 74 H ALA 74 6.783 -5.211 -2.299 538 HA ALA 74 HA ALA 74 7.703 -3.114 -0.641 539 HB1 ALA 74 1HB ALA 74 9.158 -5.611 -0.326 540 HB2 ALA 74 2HB ALA 74 8.115 -4.756 0.811 541 HB3 ALA 74 3HB ALA 74 7.410 -5.841 -0.387 542 H GLY 75 H GLY 75 9.123 -1.674 -1.454 543 HA2 GLY 75 1HA GLY 75 11.783 -2.650 -2.119 544 HA3 GLY 75 2HA GLY 75 10.949 -1.779 -3.397 545 H GLU 76 H GLU 76 11.847 0.168 -3.551 546 HA GLU 76 HA GLU 76 12.098 1.760 -1.091 547 HB2 GLU 76 1HB GLU 76 14.322 0.905 -1.894 548 HB3 GLU 76 2HB GLU 76 14.081 1.833 -3.368 549 HG2 GLU 76 1HG GLU 76 14.249 3.875 -2.254 550 HG3 GLU 76 2HG GLU 76 13.984 3.137 -0.675 551 H TYR 77 H TYR 77 10.562 3.258 -1.291 552 HA TYR 77 HA TYR 77 10.016 4.430 -3.916 553 HB2 TYR 77 1HB TYR 77 8.519 4.660 -1.297 554 HB3 TYR 77 2HB TYR 77 8.020 5.406 -2.812 555 HD1 TYR 77 1HD TYR 77 8.489 2.188 -1.066 556 HD2 TYR 77 2HD TYR 77 6.923 4.137 -4.509 557 HE1 TYR 77 1HE TYR 77 7.272 0.137 -1.667 558 HE2 TYR 77 2HE TYR 77 5.701 2.092 -5.118 559 HH TYR 77 HH TYR 77 5.536 -0.658 -2.974 560 H SER 78 H SER 78 11.042 6.226 -4.457 561 HA SER 78 HA SER 78 11.889 8.071 -2.324 562 HB2 SER 78 1HB SER 78 13.021 8.195 -5.094 563 HB3 SER 78 2HB SER 78 13.774 8.623 -3.557 564 HG SER 78 HG SER 78 13.407 6.155 -3.234 565 H CYS 79 H CYS 79 11.251 10.160 -2.354 566 HA CYS 79 HA CYS 79 9.526 10.999 -4.591 567 HB2 CYS 79 1HB CYS 79 8.569 10.624 -2.168 568 HB3 CYS 79 2HB CYS 79 9.278 12.205 -1.863 569 HG CYS 79 HG CYS 79 7.797 13.473 -3.900 570 H MET 80 H MET 80 10.429 12.519 -5.798 571 HA MET 80 HA MET 80 12.504 14.228 -4.657 572 HB2 MET 80 1HB MET 80 11.634 14.164 -7.539 573 HB3 MET 80 2HB MET 80 13.169 14.712 -6.878 574 HG2 MET 80 1HG MET 80 13.563 12.328 -6.152 575 HG3 MET 80 2HG MET 80 12.167 11.895 -7.137 576 HE1 MET 80 1HE MET 80 14.507 10.543 -9.679 577 HE2 MET 80 2HE MET 80 15.049 10.445 -8.004 578 HE3 MET 80 3HE MET 80 13.337 10.264 -8.389 579 H CYS 81 H CYS 81 12.138 16.267 -4.086 580 HA CYS 81 HA CYS 81 9.836 17.674 -5.256 581 HB2 CYS 81 1HB CYS 81 9.095 17.017 -3.079 582 HB3 CYS 81 2HB CYS 81 10.613 17.517 -2.343 583 HG CYS 81 HG CYS 81 8.096 19.181 -2.026 584 H GLY 82 H GLY 82 11.024 18.969 -6.601 585 HA2 GLY 82 1HA GLY 82 12.113 20.948 -7.101 586 HA3 GLY 82 2HA GLY 82 12.351 21.207 -5.380 587 H GLN 83 H GLN 83 14.260 20.622 -4.429 588 HA GLN 83 HA GLN 83 16.329 19.580 -6.251 589 HB2 GLN 83 1HB GLN 83 16.548 21.565 -3.987 590 HB3 GLN 83 2HB GLN 83 17.944 20.818 -4.753 591 HG2 GLN 83 1HG GLN 83 15.940 22.685 -5.983 592 HG3 GLN 83 2HG GLN 83 17.668 22.943 -5.742 593 HE21 GLN 83 1HE2 GLN 83 16.212 23.179 -8.191 594 HE22 GLN 83 2HE2 GLN 83 16.869 22.021 -9.290 595 H GLU 84 H GLU 84 14.906 19.412 -3.062 596 HA GLU 84 HA GLU 84 16.839 17.528 -2.057 597 HB2 GLU 84 1HB GLU 84 14.356 18.808 -1.020 598 HB3 GLU 84 2HB GLU 84 14.878 17.305 -0.273 599 HG2 GLU 84 1HG GLU 84 16.445 19.864 -0.477 600 HG3 GLU 84 2HG GLU 84 15.745 19.155 0.977 601 H ARG 85 H ARG 85 15.983 15.422 -1.087 602 HA ARG 85 HA ARG 85 13.773 14.173 -2.431 603 HB2 ARG 85 1HB ARG 85 15.421 13.997 -4.204 604 HB3 ARG 85 2HB ARG 85 16.596 13.317 -3.087 605 HG2 ARG 85 1HG ARG 85 15.319 11.311 -2.856 606 HG3 ARG 85 2HG ARG 85 13.978 12.003 -3.771 607 HD2 ARG 85 1HD ARG 85 15.036 10.686 -5.353 608 HD3 ARG 85 2HD ARG 85 15.730 12.278 -5.657 609 HE ARG 85 HE ARG 85 17.091 9.951 -4.619 610 HH11 ARG 85 2HH1 ARG 85 17.136 13.410 -5.007 611 HH12 ARG 85 1HH1 ARG 85 18.854 13.539 -4.828 612 HH21 ARG 85 2HH2 ARG 85 19.354 10.108 -4.381 613 HH22 ARG 85 1HH2 ARG 85 20.115 11.660 -4.472 614 H THR 86 H THR 86 13.216 12.155 -1.536 615 HA THR 86 HA THR 86 14.847 11.134 0.657 616 HB THR 86 HB THR 86 13.363 12.764 1.737 617 HG1 THR 86 1HG THR 86 13.847 10.489 2.588 618 HG21 THR 86 1HG2 THR 86 10.945 12.434 1.753 619 HG22 THR 86 2HG2 THR 86 11.112 11.066 0.653 620 HG23 THR 86 3HG2 THR 86 11.523 12.691 0.108 621 H SER 87 H SER 87 14.151 9.022 1.412 622 HA SER 87 HA SER 87 12.302 7.609 -0.367 623 HB2 SER 87 1HB SER 87 13.924 5.730 -0.582 624 HB3 SER 87 2HB SER 87 14.489 7.215 -1.349 625 HG SER 87 HG SER 87 15.516 7.521 0.879 626 H ALA 88 H ALA 88 11.452 5.659 0.502 627 HA ALA 88 HA ALA 88 12.052 5.075 3.301 628 HB1 ALA 88 1HB ALA 88 9.534 4.997 3.736 629 HB2 ALA 88 2HB ALA 88 10.299 6.584 3.654 630 HB3 ALA 88 3HB ALA 88 9.379 5.977 2.278 631 H THR 89 H THR 89 12.543 2.984 3.256 632 HA THR 89 HA THR 89 11.655 1.180 1.261 633 HB THR 89 HB THR 89 12.911 0.593 3.950 634 HG1 THR 89 1HG THR 89 14.022 1.860 2.114 635 HG21 THR 89 1HG2 THR 89 13.471 -1.362 1.939 636 HG22 THR 89 2HG2 THR 89 11.724 -1.167 2.084 637 HG23 THR 89 3HG2 THR 89 12.686 -1.576 3.503 638 H LEU 90 H LEU 90 9.667 0.398 1.077 639 HA LEU 90 HA LEU 90 7.844 0.353 3.304 640 HB2 LEU 90 1HB LEU 90 6.861 0.922 1.258 641 HB3 LEU 90 2HB LEU 90 7.654 -0.404 0.409 642 HG LEU 90 HG LEU 90 6.162 -1.899 1.950 643 HD11 LEU 90 1HD1 LEU 90 5.403 0.379 3.068 644 HD12 LEU 90 2HD1 LEU 90 4.305 -0.991 2.900 645 HD13 LEU 90 3HD1 LEU 90 4.230 0.344 1.751 646 HD21 LEU 90 1HD2 LEU 90 6.095 -1.428 -0.601 647 HD22 LEU 90 2HD2 LEU 90 4.690 -0.437 -0.205 648 HD23 LEU 90 3HD2 LEU 90 4.693 -2.159 0.182 649 H THR 91 H THR 91 6.769 -1.509 4.115 650 HA THR 91 HA THR 91 8.343 -3.986 3.830 651 HB THR 91 HB THR 91 6.781 -3.035 6.240 652 HG1 THR 91 1HG THR 91 9.109 -3.211 7.057 653 HG21 THR 91 1HG2 THR 91 8.525 -5.143 6.899 654 HG22 THR 91 2HG2 THR 91 7.656 -5.653 5.452 655 HG23 THR 91 3HG2 THR 91 6.762 -5.165 6.892 656 H VAL 92 H VAL 92 7.323 -5.716 3.057 657 HA VAL 92 HA VAL 92 4.375 -5.745 3.114 658 HB VAL 92 HB VAL 92 6.146 -6.862 0.936 659 HG11 VAL 92 1HG1 VAL 92 3.475 -7.466 1.685 660 HG12 VAL 92 2HG1 VAL 92 3.433 -6.592 0.152 661 HG13 VAL 92 3HG1 VAL 92 4.393 -8.065 0.303 662 HG21 VAL 92 1HG2 VAL 92 4.350 -4.438 0.944 663 HG22 VAL 92 2HG2 VAL 92 6.113 -4.429 0.893 664 HG23 VAL 92 3HG2 VAL 92 5.195 -5.082 -0.464 665 H ARG 93 H ARG 93 3.709 -7.258 4.483 666 HA ARG 93 HA ARG 93 5.357 -9.598 5.009 667 HB2 ARG 93 1HB ARG 93 2.945 -8.379 6.307 668 HB3 ARG 93 2HB ARG 93 3.375 -10.049 6.648 669 HG2 ARG 93 1HG ARG 93 5.496 -7.988 6.893 670 HG3 ARG 93 2HG ARG 93 4.243 -8.052 8.134 671 HD2 ARG 93 1HD ARG 93 5.874 -9.464 8.982 672 HD3 ARG 93 2HD ARG 93 4.763 -10.583 8.193 673 HE ARG 93 HE ARG 93 6.470 -11.187 6.818 674 HH11 ARG 93 2HH1 ARG 93 7.133 -8.001 8.053 675 HH12 ARG 93 1HH1 ARG 93 8.687 -7.888 7.296 676 HH21 ARG 93 2HH2 ARG 93 8.515 -11.051 5.815 677 HH22 ARG 93 1HH2 ARG 93 9.472 -9.623 6.022 678 H ALA 94 H ALA 94 5.068 -11.476 4.018 679 HA ALA 94 HA ALA 94 2.987 -11.883 2.126 680 HB1 ALA 94 1HB ALA 94 4.756 -13.101 1.444 681 HB2 ALA 94 2HB ALA 94 5.329 -13.388 3.087 682 HB3 ALA 94 3HB ALA 94 4.009 -14.357 2.433 683 H LEU 95 H LEU 95 1.211 -13.237 2.191 684 HA LEU 95 HA LEU 95 -0.235 -13.414 4.547 685 HB2 LEU 95 1HB LEU 95 -0.432 -15.032 2.017 686 HB3 LEU 95 2HB LEU 95 -1.611 -15.126 3.323 687 HG LEU 95 HG LEU 95 -1.192 -13.019 1.282 688 HD11 LEU 95 1HD1 LEU 95 -3.700 -12.886 1.639 689 HD12 LEU 95 2HD1 LEU 95 -3.524 -14.299 2.680 690 HD13 LEU 95 3HD1 LEU 95 -3.074 -14.397 0.977 691 HD21 LEU 95 1HD2 LEU 95 -0.698 -11.770 3.289 692 HD22 LEU 95 2HD2 LEU 95 -2.123 -12.431 4.090 693 HD23 LEU 95 3HD2 LEU 95 -2.310 -11.345 2.712 694 HA PRO 96 HA PRO 96 1.373 -16.846 6.769 695 HB2 PRO 96 1HB PRO 96 -0.868 -17.696 8.044 696 HB3 PRO 96 2HB PRO 96 -0.015 -16.213 8.488 697 HG2 PRO 96 1HG PRO 96 -2.469 -16.557 6.808 698 HG3 PRO 96 2HG PRO 96 -2.132 -15.351 8.065 699 HD2 PRO 96 1HD PRO 96 -1.914 -14.801 5.423 700 HD3 PRO 96 2HD PRO 96 -0.879 -14.037 6.646 701 H ALA 97 H ALA 97 1.939 -18.760 5.967 702 HA ALA 97 HA ALA 97 0.268 -20.159 4.087 703 HB1 ALA 97 1HB ALA 97 2.122 -21.339 3.521 704 HB2 ALA 97 2HB ALA 97 2.915 -19.958 4.281 705 HB3 ALA 97 3HB ALA 97 2.694 -21.456 5.185 706 H ARG 98 H ARG 98 0.586 -20.141 7.452 707 HA ARG 98 HA ARG 98 -0.435 -22.881 7.709 708 HB2 ARG 98 1HB ARG 98 0.153 -22.739 10.053 709 HB3 ARG 98 2HB ARG 98 1.535 -22.264 9.075 710 HG2 ARG 98 1HG ARG 98 1.545 -20.680 10.744 711 HG3 ARG 98 2HG ARG 98 0.662 -19.856 9.458 712 HD2 ARG 98 1HD ARG 98 -1.372 -20.078 10.532 713 HD3 ARG 98 2HD ARG 98 -0.831 -21.457 11.488 714 HE ARG 98 HE ARG 98 0.638 -19.154 12.199 715 HH11 ARG 98 2HH1 ARG 98 -2.526 -20.571 12.517 716 HH12 ARG 98 1HH1 ARG 98 -2.879 -19.767 14.010 717 HH21 ARG 98 2HH2 ARG 98 0.185 -18.090 14.165 718 HH22 ARG 98 1HH2 ARG 98 -1.337 -18.356 14.946 719 H PHE 99 H PHE 99 -1.805 -20.159 7.017 720 HA PHE 99 HA PHE 99 -3.547 -19.284 8.901 721 HB2 PHE 99 1HB PHE 99 -3.774 -18.195 6.870 722 HB3 PHE 99 2HB PHE 99 -3.832 -19.697 5.953 723 HD1 PHE 99 1HD PHE 99 -5.828 -18.143 8.703 724 HD2 PHE 99 2HD PHE 99 -5.829 -20.066 4.905 725 HE1 PHE 99 1HE PHE 99 -8.283 -17.999 8.634 726 HE2 PHE 99 2HE PHE 99 -8.284 -19.923 4.830 727 HZ PHE 99 HZ PHE 99 -9.514 -18.888 6.696 728 H THR 100 H THR 100 -4.357 -21.933 6.651 729 HA THR 100 HA THR 100 -6.262 -22.936 8.659 730 HB THR 100 HB THR 100 -7.202 -22.312 6.425 731 HG1 THR 100 1HG THR 100 -8.224 -24.499 6.173 732 HG21 THR 100 1HG2 THR 100 -6.681 -23.484 4.471 733 HG22 THR 100 2HG2 THR 100 -5.885 -24.787 5.353 734 HG23 THR 100 3HG2 THR 100 -5.107 -23.210 5.218 735 H GLU 101 H GLU 101 -5.985 -24.897 9.538 736 HA GLU 101 HA GLU 101 -3.579 -26.269 9.397 737 HB2 GLU 101 1HB GLU 101 -5.212 -26.503 11.234 738 HB3 GLU 101 2HB GLU 101 -6.280 -27.393 10.158 739 HG2 GLU 101 1HG GLU 101 -3.495 -28.361 10.594 740 HG3 GLU 101 2HG GLU 101 -4.727 -28.657 11.819 741 H GLY 102 H GLY 102 -2.705 -27.312 7.739 742 HA2 GLY 102 1HA GLY 102 -3.801 -29.525 6.479 743 HA3 GLY 102 2HA GLY 102 -4.190 -28.144 5.463 744 H SER 103 H SER 103 -1.729 -26.718 6.150 745 HA SER 103 HA SER 103 -0.113 -27.288 4.059 746 HB2 SER 103 1HB SER 103 1.805 -26.398 5.550 747 HB3 SER 103 2HB SER 103 0.422 -25.343 5.262 748 HG SER 103 HG SER 103 1.249 -26.600 7.591 749 H GLY 104 H GLY 104 -0.220 -28.992 7.118 750 HA2 GLY 104 1HA GLY 104 0.360 -31.395 6.947 751 HA3 GLY 104 2HA GLY 104 1.782 -30.886 6.049 752 HA PRO 105 HA PRO 105 2.360 -29.728 10.744 753 HB2 PRO 105 1HB PRO 105 0.884 -31.242 12.446 754 HB3 PRO 105 2HB PRO 105 0.330 -29.686 11.819 755 HG2 PRO 105 1HG PRO 105 -0.360 -32.451 10.904 756 HG3 PRO 105 2HG PRO 105 -1.423 -31.049 11.127 757 HD2 PRO 105 1HD PRO 105 -0.512 -31.814 8.694 758 HD3 PRO 105 2HD PRO 105 -0.824 -30.115 9.106 759 H SER 106 H SER 106 2.383 -32.560 9.037 760 HA SER 106 HA SER 106 3.718 -34.402 9.050 761 HB2 SER 106 1HB SER 106 5.363 -32.494 9.868 762 HB3 SER 106 2HB SER 106 5.295 -33.397 11.382 763 HG SER 106 HG SER 106 6.898 -33.936 9.524 764 H SER 107 H SER 107 1.398 -34.829 10.245 765 HA SER 107 HA SER 107 1.769 -35.865 12.925 766 HB2 SER 107 1HB SER 107 -0.621 -35.866 11.069 767 HB3 SER 107 2HB SER 107 -0.642 -36.516 12.709 768 HG SER 107 HG SER 107 -1.186 -34.523 13.164 769 H GLY 108 H GLY 108 0.423 -38.127 13.133 770 HA2 GLY 108 1HA GLY 108 0.550 -40.113 11.253 771 HA3 GLY 108 2HA GLY 108 2.175 -40.047 11.919 Start of MODEL 13 1 H1 GLY 1 H GLY 1 14.065 33.204 15.225 2 HA2 GLY 1 1HA GLY 1 15.990 33.493 13.656 3 HA3 GLY 1 2HA GLY 1 15.925 31.749 13.446 4 H SER 2 H SER 2 13.868 34.638 13.136 5 HA SER 2 HA SER 2 12.070 33.385 11.310 6 HB2 SER 2 1HB SER 2 11.003 35.516 11.143 7 HB3 SER 2 2HB SER 2 11.536 35.356 12.816 8 HG SER 2 HG SER 2 12.652 36.917 10.745 9 H SER 3 H SER 3 12.450 32.940 9.254 10 HA SER 3 HA SER 3 13.728 34.842 7.514 11 HB2 SER 3 1HB SER 3 15.624 33.571 6.876 12 HB3 SER 3 2HB SER 3 15.618 33.531 8.639 13 HG SER 3 HG SER 3 15.158 31.495 6.807 14 H GLY 4 H GLY 4 13.718 34.108 5.240 15 HA2 GLY 4 1HA GLY 4 12.128 31.778 4.596 16 HA3 GLY 4 2HA GLY 4 11.319 33.310 4.300 17 H SER 5 H SER 5 13.695 31.076 3.206 18 HA SER 5 HA SER 5 14.880 32.812 1.250 19 HB2 SER 5 1HB SER 5 15.905 30.686 0.393 20 HB3 SER 5 2HB SER 5 16.213 30.994 2.102 21 HG SER 5 HG SER 5 15.432 28.795 1.344 22 H SER 6 H SER 6 14.543 32.844 -0.961 23 HA SER 6 HA SER 6 11.890 31.988 -1.799 24 HB2 SER 6 1HB SER 6 13.938 33.893 -2.878 25 HB3 SER 6 2HB SER 6 12.681 33.273 -3.949 26 HG SER 6 HG SER 6 12.473 34.969 -1.742 27 H GLY 7 H GLY 7 13.618 29.854 -1.385 28 HA2 GLY 7 1HA GLY 7 14.419 29.026 -4.095 29 HA3 GLY 7 2HA GLY 7 14.994 28.304 -2.600 30 HA PRO 8 HA PRO 8 11.595 25.678 -4.456 31 HB2 PRO 8 1HB PRO 8 13.047 23.386 -4.554 32 HB3 PRO 8 2HB PRO 8 13.025 24.566 -5.870 33 HG2 PRO 8 1HG PRO 8 15.062 24.172 -3.713 34 HG3 PRO 8 2HG PRO 8 15.309 24.478 -5.442 35 HD2 PRO 8 1HD PRO 8 15.527 26.424 -3.572 36 HD3 PRO 8 2HD PRO 8 14.950 26.744 -5.220 37 H ALA 9 H ALA 9 10.503 23.902 -3.437 38 HA ALA 9 HA ALA 9 10.541 24.020 -0.607 39 HB1 ALA 9 1HB ALA 9 9.143 21.710 -1.319 40 HB2 ALA 9 2HB ALA 9 8.474 23.313 -1.008 41 HB3 ALA 9 3HB ALA 9 8.896 22.837 -2.653 42 H ARG 10 H ARG 10 11.693 22.907 0.829 43 HA ARG 10 HA ARG 10 13.185 20.548 -0.115 44 HB2 ARG 10 1HB ARG 10 14.835 21.060 1.635 45 HB3 ARG 10 2HB ARG 10 14.653 22.392 0.502 46 HG2 ARG 10 1HG ARG 10 13.398 23.663 2.064 47 HG3 ARG 10 2HG ARG 10 13.245 22.284 3.155 48 HD2 ARG 10 1HD ARG 10 15.846 22.349 3.164 49 HD3 ARG 10 2HD ARG 10 15.627 24.000 2.588 50 HE ARG 10 HE ARG 10 14.005 23.651 4.829 51 HH11 ARG 10 2HH1 ARG 10 17.389 23.722 4.016 52 HH12 ARG 10 1HH1 ARG 10 17.884 24.306 5.570 53 HH21 ARG 10 2HH2 ARG 10 14.644 24.421 6.879 54 HH22 ARG 10 1HH2 ARG 10 16.322 24.703 7.198 55 H PHE 11 H PHE 11 13.030 18.660 0.980 56 HA PHE 11 HA PHE 11 10.814 18.178 2.624 57 HB2 PHE 11 1HB PHE 11 13.323 16.572 2.130 58 HB3 PHE 11 2HB PHE 11 11.981 15.976 3.102 59 HD1 PHE 11 1HD PHE 11 9.844 15.432 2.074 60 HD2 PHE 11 2HD PHE 11 13.156 16.740 -0.257 61 HE1 PHE 11 1HE PHE 11 8.724 14.625 0.037 62 HE2 PHE 11 2HE PHE 11 12.042 15.936 -2.298 63 HZ PHE 11 HZ PHE 11 9.823 14.878 -2.153 64 H THR 12 H THR 12 10.572 17.887 4.817 65 HA THR 12 HA THR 12 12.801 18.863 6.483 66 HB THR 12 HB THR 12 11.099 19.632 8.101 67 HG1 THR 12 1HG THR 12 8.909 19.631 7.445 68 HG21 THR 12 1HG2 THR 12 11.992 21.162 6.369 69 HG22 THR 12 2HG2 THR 12 10.346 21.569 6.856 70 HG23 THR 12 3HG2 THR 12 10.633 20.735 5.329 71 H GLN 13 H GLN 13 10.371 16.409 6.042 72 HA GLN 13 HA GLN 13 11.545 14.915 8.289 73 HB2 GLN 13 1HB GLN 13 8.690 15.482 7.682 74 HB3 GLN 13 2HB GLN 13 9.081 13.875 8.281 75 HG2 GLN 13 1HG GLN 13 10.167 16.227 9.735 76 HG3 GLN 13 2HG GLN 13 8.454 15.844 9.907 77 HE21 GLN 13 1HE2 GLN 13 7.911 14.411 11.393 78 HE22 GLN 13 2HE2 GLN 13 8.984 13.301 12.169 79 H ASP 14 H ASP 14 12.629 13.264 7.453 80 HA ASP 14 HA ASP 14 12.664 12.252 4.960 81 HB2 ASP 14 1HB ASP 14 13.369 10.066 5.944 82 HB3 ASP 14 2HB ASP 14 14.208 11.454 6.631 83 H LEU 15 H LEU 15 11.649 10.608 3.787 84 HA LEU 15 HA LEU 15 8.845 10.427 4.127 85 HB2 LEU 15 1HB LEU 15 10.436 10.140 2.024 86 HB3 LEU 15 2HB LEU 15 10.285 8.438 2.454 87 HG LEU 15 HG LEU 15 7.945 10.255 1.886 88 HD11 LEU 15 1HD1 LEU 15 9.623 8.551 0.105 89 HD12 LEU 15 2HD1 LEU 15 8.917 10.138 -0.193 90 HD13 LEU 15 3HD1 LEU 15 7.895 8.702 -0.212 91 HD21 LEU 15 1HD2 LEU 15 6.643 8.556 2.487 92 HD22 LEU 15 2HD2 LEU 15 8.079 7.788 3.165 93 HD23 LEU 15 3HD2 LEU 15 7.572 7.414 1.516 94 H LYS 16 H LYS 16 7.629 9.015 5.211 95 HA LYS 16 HA LYS 16 8.963 6.673 6.397 96 HB2 LYS 16 1HB LYS 16 6.925 8.579 7.401 97 HB3 LYS 16 2HB LYS 16 6.719 6.896 7.868 98 HG2 LYS 16 1HG LYS 16 9.244 8.478 8.294 99 HG3 LYS 16 2HG LYS 16 7.984 8.254 9.509 100 HD2 LYS 16 1HD LYS 16 9.540 6.037 8.177 101 HD3 LYS 16 2HD LYS 16 9.850 6.673 9.794 102 HE2 LYS 16 1HE LYS 16 7.341 5.295 8.845 103 HE3 LYS 16 2HE LYS 16 8.553 4.637 9.944 104 HZ1 LYS 16 1HZ LYS 16 6.311 6.194 10.567 105 HZ2 LYS 16 2HZ LYS 16 7.688 7.091 10.967 106 HZ3 LYS 16 3HZ LYS 16 7.464 5.547 11.623 107 H THR 17 H THR 17 7.440 4.816 6.846 108 HA THR 17 HA THR 17 5.247 4.561 4.947 109 HB THR 17 HB THR 17 7.037 3.780 3.568 110 HG1 THR 17 1HG THR 17 6.039 1.349 4.591 111 HG21 THR 17 1HG2 THR 17 8.363 3.193 5.866 112 HG22 THR 17 2HG2 THR 17 8.850 2.632 4.266 113 HG23 THR 17 3HG2 THR 17 7.904 1.581 5.320 114 H LYS 18 H LYS 18 4.396 2.144 5.153 115 HA LYS 18 HA LYS 18 4.421 1.411 8.004 116 HB2 LYS 18 1HB LYS 18 2.044 1.001 7.950 117 HB3 LYS 18 2HB LYS 18 2.348 2.645 7.402 118 HG2 LYS 18 1HG LYS 18 0.849 2.005 5.826 119 HG3 LYS 18 2HG LYS 18 2.332 1.469 5.032 120 HD2 LYS 18 1HD LYS 18 1.095 -0.438 4.831 121 HD3 LYS 18 2HD LYS 18 1.828 -0.741 6.408 122 HE2 LYS 18 1HE LYS 18 -0.508 -1.234 6.564 123 HE3 LYS 18 2HE LYS 18 -0.199 0.250 7.464 124 HZ1 LYS 18 1HZ LYS 18 -2.181 0.476 6.138 125 HZ2 LYS 18 2HZ LYS 18 -1.340 0.066 4.728 126 HZ3 LYS 18 3HZ LYS 18 -0.986 1.510 5.535 127 H GLU 19 H GLU 19 3.421 -0.834 8.320 128 HA GLU 19 HA GLU 19 4.477 -2.603 6.217 129 HB2 GLU 19 1HB GLU 19 4.874 -4.255 7.938 130 HB3 GLU 19 2HB GLU 19 5.624 -2.736 8.408 131 HG2 GLU 19 1HG GLU 19 3.383 -2.358 9.688 132 HG3 GLU 19 2HG GLU 19 3.246 -4.110 9.558 133 H ALA 20 H ALA 20 2.890 -3.364 4.984 134 HA ALA 20 HA ALA 20 0.387 -4.212 6.292 135 HB1 ALA 20 1HB ALA 20 -0.815 -3.676 4.296 136 HB2 ALA 20 2HB ALA 20 0.163 -2.275 4.737 137 HB3 ALA 20 3HB ALA 20 0.681 -3.335 3.425 138 H SER 21 H SER 21 -0.765 -5.979 5.108 139 HA SER 21 HA SER 21 1.161 -8.061 4.429 140 HB2 SER 21 1HB SER 21 -0.486 -8.661 6.095 141 HB3 SER 21 2HB SER 21 -1.804 -8.173 5.029 142 HG SER 21 HG SER 21 -1.384 -9.899 3.721 143 H GLU 22 H GLU 22 0.776 -9.494 2.610 144 HA GLU 22 HA GLU 22 0.612 -8.247 0.177 145 HB2 GLU 22 1HB GLU 22 0.183 -11.079 1.039 146 HB3 GLU 22 2HB GLU 22 -0.146 -10.636 -0.630 147 HG2 GLU 22 1HG GLU 22 2.157 -9.761 -0.812 148 HG3 GLU 22 2HG GLU 22 2.470 -10.335 0.826 149 H GLY 23 H GLY 23 -0.954 -7.533 -1.145 150 HA2 GLY 23 1HA GLY 23 -3.076 -7.357 -2.092 151 HA3 GLY 23 2HA GLY 23 -3.675 -8.504 -0.903 152 H ALA 24 H ALA 24 -1.911 -6.148 0.655 153 HA ALA 24 HA ALA 24 -4.376 -4.791 1.478 154 HB1 ALA 24 1HB ALA 24 -3.059 -5.810 3.257 155 HB2 ALA 24 2HB ALA 24 -1.662 -4.839 2.792 156 HB3 ALA 24 3HB ALA 24 -3.106 -4.055 3.434 157 H THR 25 H THR 25 -3.767 -2.421 2.311 158 HA THR 25 HA THR 25 -2.426 -1.078 0.054 159 HB THR 25 HB THR 25 -4.575 0.214 1.718 160 HG1 THR 25 1HG THR 25 -5.963 -0.404 -0.121 161 HG21 THR 25 1HG2 THR 25 -3.610 1.884 0.478 162 HG22 THR 25 2HG2 THR 25 -4.820 1.319 -0.674 163 HG23 THR 25 3HG2 THR 25 -3.144 0.794 -0.828 164 H ALA 26 H ALA 26 -0.598 -0.112 0.610 165 HA ALA 26 HA ALA 26 0.030 0.422 3.375 166 HB1 ALA 26 1HB ALA 26 2.128 1.458 2.071 167 HB2 ALA 26 2HB ALA 26 1.952 -0.266 2.401 168 HB3 ALA 26 3HB ALA 26 1.512 0.379 0.820 169 H THR 27 H THR 27 1.083 2.568 3.924 170 HA THR 27 HA THR 27 0.018 4.860 2.489 171 HB THR 27 HB THR 27 -0.591 4.655 5.430 172 HG1 THR 27 1HG THR 27 -2.807 4.200 4.569 173 HG21 THR 27 1HG2 THR 27 -0.993 6.829 4.990 174 HG22 THR 27 2HG2 THR 27 -2.488 6.227 4.273 175 HG23 THR 27 3HG2 THR 27 -1.091 6.562 3.251 176 H LEU 28 H LEU 28 1.733 6.130 2.271 177 HA LEU 28 HA LEU 28 3.698 6.255 4.453 178 HB2 LEU 28 1HB LEU 28 3.963 7.010 1.547 179 HB3 LEU 28 2HB LEU 28 5.235 7.170 2.756 180 HG LEU 28 HG LEU 28 4.730 4.550 3.004 181 HD11 LEU 28 1HD1 LEU 28 3.361 5.320 0.609 182 HD12 LEU 28 2HD1 LEU 28 3.459 3.738 1.380 183 HD13 LEU 28 3HD1 LEU 28 4.691 4.230 0.217 184 HD21 LEU 28 1HD2 LEU 28 6.646 4.180 1.507 185 HD22 LEU 28 2HD2 LEU 28 6.911 5.530 2.611 186 HD23 LEU 28 3HD2 LEU 28 6.495 5.838 0.924 187 H GLN 29 H GLN 29 4.245 8.169 5.397 188 HA GLN 29 HA GLN 29 2.778 10.559 4.496 189 HB2 GLN 29 1HB GLN 29 3.288 9.552 7.288 190 HB3 GLN 29 2HB GLN 29 2.861 11.227 6.966 191 HG2 GLN 29 1HG GLN 29 0.987 9.644 7.619 192 HG3 GLN 29 2HG GLN 29 0.731 10.663 6.204 193 HE21 GLN 29 1HE2 GLN 29 2.018 7.469 7.055 194 HE22 GLN 29 2HE2 GLN 29 1.336 6.643 5.700 195 H CYS 30 H CYS 30 3.946 12.345 4.145 196 HA CYS 30 HA CYS 30 6.623 12.558 5.314 197 HB2 CYS 30 1HB CYS 30 7.688 13.020 3.249 198 HB3 CYS 30 2HB CYS 30 6.715 11.582 2.965 199 HG CYS 30 HG CYS 30 5.068 12.586 1.202 200 H GLU 31 H GLU 31 7.501 14.735 5.252 201 HA GLU 31 HA GLU 31 5.382 16.778 5.093 202 HB2 GLU 31 1HB GLU 31 6.532 16.086 7.376 203 HB3 GLU 31 2HB GLU 31 7.791 17.176 6.811 204 HG2 GLU 31 1HG GLU 31 6.435 19.031 6.936 205 HG3 GLU 31 2HG GLU 31 4.952 18.085 6.818 206 H LEU 32 H LEU 32 6.287 19.033 4.793 207 HA LEU 32 HA LEU 32 8.744 19.107 3.216 208 HB2 LEU 32 1HB LEU 32 6.052 20.025 2.223 209 HB3 LEU 32 2HB LEU 32 7.583 20.455 1.463 210 HG LEU 32 HG LEU 32 6.711 17.597 1.794 211 HD11 LEU 32 1HD1 LEU 32 5.020 18.091 0.406 212 HD12 LEU 32 2HD1 LEU 32 6.280 18.141 -0.827 213 HD13 LEU 32 3HD1 LEU 32 5.726 19.635 -0.072 214 HD21 LEU 32 1HD2 LEU 32 8.886 17.448 1.182 215 HD22 LEU 32 2HD2 LEU 32 8.905 19.051 0.446 216 HD23 LEU 32 3HD2 LEU 32 8.202 17.688 -0.426 217 H SER 33 H SER 33 9.421 21.360 2.729 218 HA SER 33 HA SER 33 9.202 22.963 5.088 219 HB2 SER 33 1HB SER 33 11.314 22.880 3.895 220 HB3 SER 33 2HB SER 33 10.549 23.495 2.429 221 HG SER 33 HG SER 33 10.109 25.432 3.583 222 H LYS 34 H LYS 34 7.572 22.842 2.062 223 HA LYS 34 HA LYS 34 5.613 24.712 2.851 224 HB2 LYS 34 1HB LYS 34 6.035 26.530 1.320 225 HB3 LYS 34 2HB LYS 34 7.451 26.305 2.340 226 HG2 LYS 34 1HG LYS 34 8.739 25.507 0.614 227 HG3 LYS 34 2HG LYS 34 7.343 24.956 -0.315 228 HD2 LYS 34 1HD LYS 34 6.759 27.465 -0.493 229 HD3 LYS 34 2HD LYS 34 8.437 27.732 -0.015 230 HE2 LYS 34 1HE LYS 34 7.634 25.976 -2.326 231 HE3 LYS 34 2HE LYS 34 7.990 27.694 -2.498 232 HZ1 LYS 34 1HZ LYS 34 10.153 27.276 -2.473 233 HZ2 LYS 34 2HZ LYS 34 9.796 25.626 -2.561 234 HZ3 LYS 34 3HZ LYS 34 10.043 26.358 -1.056 235 H VAL 35 H VAL 35 3.892 24.900 1.324 236 HA VAL 35 HA VAL 35 3.264 22.604 -0.070 237 HB VAL 35 HB VAL 35 2.250 25.380 -0.701 238 HG11 VAL 35 1HG1 VAL 35 1.111 22.643 -1.251 239 HG12 VAL 35 2HG1 VAL 35 0.222 24.154 -1.453 240 HG13 VAL 35 3HG1 VAL 35 1.650 23.832 -2.437 241 HG21 VAL 35 1HG2 VAL 35 1.397 25.354 1.356 242 HG22 VAL 35 2HG2 VAL 35 0.363 24.026 0.829 243 HG23 VAL 35 3HG2 VAL 35 1.903 23.684 1.617 244 H ALA 36 H ALA 36 4.230 21.722 -1.766 245 HA ALA 36 HA ALA 36 4.730 23.293 -4.143 246 HB1 ALA 36 1HB ALA 36 6.864 22.669 -2.318 247 HB2 ALA 36 2HB ALA 36 7.138 21.899 -3.882 248 HB3 ALA 36 3HB ALA 36 6.894 23.643 -3.789 249 HA PRO 37 HA PRO 37 3.691 19.521 -6.136 250 HB2 PRO 37 1HB PRO 37 5.030 19.787 -8.483 251 HB3 PRO 37 2HB PRO 37 3.584 20.725 -8.090 252 HG2 PRO 37 1HG PRO 37 6.465 21.520 -7.912 253 HG3 PRO 37 2HG PRO 37 5.083 22.451 -8.520 254 HD2 PRO 37 1HD PRO 37 6.116 22.824 -6.045 255 HD3 PRO 37 2HD PRO 37 4.391 23.044 -6.403 256 H VAL 38 H VAL 38 4.395 17.467 -6.102 257 HA VAL 38 HA VAL 38 7.274 16.934 -6.297 258 HB VAL 38 HB VAL 38 7.229 15.403 -4.419 259 HG11 VAL 38 1HG1 VAL 38 6.018 18.004 -3.507 260 HG12 VAL 38 2HG1 VAL 38 7.165 16.978 -2.642 261 HG13 VAL 38 3HG1 VAL 38 7.678 17.857 -4.083 262 HG21 VAL 38 1HG2 VAL 38 4.543 16.300 -3.530 263 HG22 VAL 38 2HG2 VAL 38 4.622 15.092 -4.812 264 HG23 VAL 38 3HG2 VAL 38 5.376 14.771 -3.251 265 H GLU 39 H GLU 39 7.715 14.561 -6.557 266 HA GLU 39 HA GLU 39 5.497 13.079 -7.757 267 HB2 GLU 39 1HB GLU 39 6.512 14.209 -9.643 268 HB3 GLU 39 2HB GLU 39 8.112 13.672 -9.150 269 HG2 GLU 39 1HG GLU 39 7.283 11.311 -9.475 270 HG3 GLU 39 2HG GLU 39 5.862 12.014 -10.245 271 H TRP 40 H TRP 40 5.457 11.108 -6.925 272 HA TRP 40 HA TRP 40 7.701 10.084 -5.441 273 HB2 TRP 40 1HB TRP 40 5.026 8.817 -6.075 274 HB3 TRP 40 2HB TRP 40 6.207 8.190 -4.928 275 HD1 TRP 40 HD TRP 40 4.314 11.559 -5.406 276 HE1 TRP 40 1HE TRP 40 3.588 12.385 -3.078 277 HE3 TRP 40 3HE TRP 40 6.307 7.812 -2.556 278 HZ2 TRP 40 2HZ TRP 40 3.830 11.558 -0.390 279 HZ3 TRP 40 3HZ TRP 40 6.016 7.904 -0.115 280 HH2 TRP 40 HH TRP 40 4.803 9.740 0.944 281 H LYS 41 H LYS 41 8.821 8.146 -5.846 282 HA LYS 41 HA LYS 41 8.509 6.958 -8.504 283 HB2 LYS 41 1HB LYS 41 10.874 8.441 -7.488 284 HB3 LYS 41 2HB LYS 41 11.189 6.963 -8.388 285 HG2 LYS 41 1HG LYS 41 9.459 8.088 -10.066 286 HG3 LYS 41 2HG LYS 41 10.090 9.551 -9.307 287 HD2 LYS 41 1HD LYS 41 12.395 8.722 -9.816 288 HD3 LYS 41 2HD LYS 41 11.658 7.408 -10.736 289 HE2 LYS 41 1HE LYS 41 10.934 8.802 -12.407 290 HE3 LYS 41 2HE LYS 41 10.843 10.206 -11.344 291 HZ1 LYS 41 1HZ LYS 41 13.516 9.301 -11.556 292 HZ2 LYS 41 2HZ LYS 41 12.870 10.812 -11.954 293 HZ3 LYS 41 3HZ LYS 41 12.877 9.568 -13.100 294 H LYS 42 H LYS 42 9.288 4.831 -8.689 295 HA LYS 42 HA LYS 42 9.967 3.544 -6.126 296 HB2 LYS 42 1HB LYS 42 7.671 3.013 -6.912 297 HB3 LYS 42 2HB LYS 42 8.357 2.352 -8.391 298 HG2 LYS 42 1HG LYS 42 9.305 0.533 -7.280 299 HG3 LYS 42 2HG LYS 42 9.156 1.306 -5.700 300 HD2 LYS 42 1HD LYS 42 6.933 0.793 -5.507 301 HD3 LYS 42 2HD LYS 42 6.671 0.790 -7.252 302 HE2 LYS 42 1HE LYS 42 8.301 -1.298 -7.110 303 HE3 LYS 42 2HE LYS 42 7.665 -1.369 -5.468 304 HZ1 LYS 42 1HZ LYS 42 6.073 -1.423 -7.974 305 HZ2 LYS 42 2HZ LYS 42 5.416 -1.391 -6.416 306 HZ3 LYS 42 3HZ LYS 42 6.332 -2.721 -6.920 307 H GLY 43 H GLY 43 11.547 4.573 -8.556 308 HA2 GLY 43 1HA GLY 43 13.785 3.183 -8.537 309 HA3 GLY 43 2HA GLY 43 12.780 2.084 -9.470 310 HA PRO 44 HA PRO 44 14.769 4.629 -12.660 311 HB2 PRO 44 1HB PRO 44 14.537 2.745 -14.600 312 HB3 PRO 44 2HB PRO 44 15.840 2.738 -13.406 313 HG2 PRO 44 1HG PRO 44 13.299 1.156 -13.446 314 HG3 PRO 44 2HG PRO 44 14.941 0.626 -13.037 315 HD2 PRO 44 1HD PRO 44 13.086 1.210 -11.152 316 HD3 PRO 44 2HD PRO 44 14.822 1.486 -10.902 317 H GLU 45 H GLU 45 11.659 3.750 -12.043 318 HA GLU 45 HA GLU 45 10.666 4.924 -14.557 319 HB2 GLU 45 1HB GLU 45 9.656 2.712 -12.849 320 HB3 GLU 45 2HB GLU 45 8.456 3.763 -13.587 321 HG2 GLU 45 1HG GLU 45 8.917 3.051 -15.695 322 HG3 GLU 45 2HG GLU 45 10.603 2.694 -15.326 323 H THR 46 H THR 46 8.454 5.996 -14.234 324 HA THR 46 HA THR 46 8.603 7.686 -11.826 325 HB THR 46 HB THR 46 7.542 8.313 -14.584 326 HG1 THR 46 1HG THR 46 9.422 9.860 -13.181 327 HG21 THR 46 1HG2 THR 46 7.254 10.647 -13.477 328 HG22 THR 46 2HG2 THR 46 7.178 9.733 -11.971 329 HG23 THR 46 3HG2 THR 46 6.002 9.426 -13.248 330 H LEU 47 H LEU 47 6.687 8.255 -10.746 331 HA LEU 47 HA LEU 47 4.338 6.608 -11.413 332 HB2 LEU 47 1HB LEU 47 5.404 7.255 -8.669 333 HB3 LEU 47 2HB LEU 47 3.900 6.398 -9.002 334 HG LEU 47 HG LEU 47 6.426 5.266 -10.092 335 HD11 LEU 47 1HD1 LEU 47 6.525 6.008 -7.523 336 HD12 LEU 47 2HD1 LEU 47 7.286 4.539 -8.133 337 HD13 LEU 47 3HD1 LEU 47 5.711 4.453 -7.344 338 HD21 LEU 47 1HD2 LEU 47 4.856 3.318 -8.891 339 HD22 LEU 47 2HD2 LEU 47 4.927 3.705 -10.611 340 HD23 LEU 47 3HD2 LEU 47 3.695 4.449 -9.589 341 H ARG 48 H ARG 48 2.285 7.469 -10.736 342 HA ARG 48 HA ARG 48 2.128 10.183 -9.787 343 HB2 ARG 48 1HB ARG 48 1.140 11.179 -11.711 344 HB3 ARG 48 2HB ARG 48 2.621 10.399 -12.249 345 HG2 ARG 48 1HG ARG 48 1.518 8.828 -13.470 346 HG3 ARG 48 2HG ARG 48 0.100 8.847 -12.419 347 HD2 ARG 48 1HD ARG 48 -0.548 11.020 -13.328 348 HD3 ARG 48 2HD ARG 48 0.878 11.016 -14.365 349 HE ARG 48 HE ARG 48 -0.502 8.696 -14.941 350 HH11 ARG 48 2HH1 ARG 48 -1.100 12.122 -15.082 351 HH12 ARG 48 1HH1 ARG 48 -2.195 12.008 -16.421 352 HH21 ARG 48 2HH2 ARG 48 -1.941 8.532 -16.703 353 HH22 ARG 48 1HH2 ARG 48 -2.673 9.966 -17.341 354 H ASP 49 H ASP 49 -0.089 10.877 -9.426 355 HA ASP 49 HA ASP 49 -1.702 8.789 -8.398 356 HB2 ASP 49 1HB ASP 49 -3.085 10.456 -7.562 357 HB3 ASP 49 2HB ASP 49 -1.547 11.303 -7.708 358 H GLY 50 H GLY 50 -3.046 7.491 -9.450 359 HA2 GLY 50 1HA GLY 50 -5.086 8.168 -11.137 360 HA3 GLY 50 2HA GLY 50 -3.707 7.956 -12.206 361 H GLY 51 H GLY 51 -2.410 5.835 -11.543 362 HA2 GLY 51 1HA GLY 51 -4.301 3.687 -11.960 363 HA3 GLY 51 2HA GLY 51 -2.549 3.556 -11.974 364 H ARG 52 H ARG 52 -2.145 1.934 -10.591 365 HA ARG 52 HA ARG 52 -3.629 1.584 -8.159 366 HB2 ARG 52 1HB ARG 52 -1.160 0.233 -9.254 367 HB3 ARG 52 2HB ARG 52 -1.910 -0.213 -7.727 368 HG2 ARG 52 1HG ARG 52 -3.239 -0.320 -10.428 369 HG3 ARG 52 2HG ARG 52 -2.581 -1.699 -9.544 370 HD2 ARG 52 1HD ARG 52 -4.155 -1.014 -7.654 371 HD3 ARG 52 2HD ARG 52 -4.943 0.020 -8.846 372 HE ARG 52 HE ARG 52 -4.716 -2.599 -9.861 373 HH11 ARG 52 2HH1 ARG 52 -6.466 -0.757 -7.480 374 HH12 ARG 52 1HH1 ARG 52 -7.865 -1.779 -7.528 375 HH21 ARG 52 2HH2 ARG 52 -6.552 -3.951 -9.933 376 HH22 ARG 52 1HH2 ARG 52 -7.912 -3.596 -8.923 377 H TYR 53 H TYR 53 -2.663 4.111 -8.065 378 HA TYR 53 HA TYR 53 -1.092 4.059 -5.667 379 HB2 TYR 53 1HB TYR 53 0.103 5.221 -8.189 380 HB3 TYR 53 2HB TYR 53 0.721 5.529 -6.570 381 HD1 TYR 53 1HD TYR 53 1.610 3.594 -5.221 382 HD2 TYR 53 2HD TYR 53 0.690 3.258 -9.361 383 HE1 TYR 53 1HE TYR 53 2.994 1.566 -5.358 384 HE2 TYR 53 2HE TYR 53 2.070 1.228 -9.509 385 HH TYR 53 HH TYR 53 3.839 -0.001 -6.685 386 H SER 54 H SER 54 -2.258 5.411 -4.478 387 HA SER 54 HA SER 54 -3.365 7.826 -5.728 388 HB2 SER 54 1HB SER 54 -4.724 6.043 -4.311 389 HB3 SER 54 2HB SER 54 -4.111 6.993 -2.958 390 HG SER 54 HG SER 54 -5.233 8.374 -5.105 391 H LEU 55 H LEU 55 -2.317 9.665 -5.422 392 HA LEU 55 HA LEU 55 -0.763 10.008 -2.941 393 HB2 LEU 55 1HB LEU 55 -0.145 11.411 -5.519 394 HB3 LEU 55 2HB LEU 55 0.883 11.213 -4.101 395 HG LEU 55 HG LEU 55 0.970 8.752 -4.650 396 HD11 LEU 55 1HD1 LEU 55 -0.779 9.700 -6.796 397 HD12 LEU 55 2HD1 LEU 55 -0.569 8.081 -6.130 398 HD13 LEU 55 3HD1 LEU 55 0.559 8.688 -7.343 399 HD21 LEU 55 1HD2 LEU 55 2.940 9.241 -5.547 400 HD22 LEU 55 2HD2 LEU 55 2.424 10.925 -5.651 401 HD23 LEU 55 3HD2 LEU 55 2.178 9.840 -7.021 402 H LYS 56 H LYS 56 -1.891 11.314 -1.653 403 HA LYS 56 HA LYS 56 -3.369 13.560 -2.827 404 HB2 LYS 56 1HB LYS 56 -4.402 11.847 -1.178 405 HB3 LYS 56 2HB LYS 56 -3.510 12.726 0.057 406 HG2 LYS 56 1HG LYS 56 -5.683 13.628 0.047 407 HG3 LYS 56 2HG LYS 56 -4.661 14.813 -0.770 408 HD2 LYS 56 1HD LYS 56 -5.472 14.178 -2.903 409 HD3 LYS 56 2HD LYS 56 -6.242 12.727 -2.256 410 HE2 LYS 56 1HE LYS 56 -7.796 14.133 -0.983 411 HE3 LYS 56 2HE LYS 56 -7.032 15.575 -1.649 412 HZ1 LYS 56 1HZ LYS 56 -7.640 14.653 -3.894 413 HZ2 LYS 56 2HZ LYS 56 -8.935 15.182 -2.944 414 HZ3 LYS 56 3HZ LYS 56 -8.614 13.528 -3.089 415 H GLN 57 H GLN 57 -3.007 15.671 -2.223 416 HA GLN 57 HA GLN 57 -0.542 16.141 -0.681 417 HB2 GLN 57 1HB GLN 57 -0.296 16.846 -2.980 418 HB3 GLN 57 2HB GLN 57 -1.792 17.767 -2.900 419 HG2 GLN 57 1HG GLN 57 -0.850 19.445 -1.630 420 HG3 GLN 57 2HG GLN 57 0.451 18.410 -1.042 421 HE21 GLN 57 1HE2 GLN 57 2.364 18.709 -1.920 422 HE22 GLN 57 2HE2 GLN 57 2.680 19.442 -3.452 423 H ASP 58 H ASP 58 -1.056 16.706 1.332 424 HA ASP 58 HA ASP 58 -3.351 18.495 1.757 425 HB2 ASP 58 1HB ASP 58 -3.081 16.180 2.943 426 HB3 ASP 58 2HB ASP 58 -1.950 17.047 3.978 427 H GLY 59 H GLY 59 -2.180 20.388 1.166 428 HA2 GLY 59 1HA GLY 59 -1.048 22.314 1.707 429 HA3 GLY 59 2HA GLY 59 -0.973 21.715 3.357 430 H THR 60 H THR 60 0.931 21.033 4.139 431 HA THR 60 HA THR 60 3.202 20.997 2.274 432 HB THR 60 HB THR 60 4.639 21.421 4.186 433 HG1 THR 60 1HG THR 60 2.273 20.893 5.600 434 HG21 THR 60 1HG2 THR 60 3.158 23.554 5.039 435 HG22 THR 60 2HG2 THR 60 2.404 23.187 3.487 436 HG23 THR 60 3HG2 THR 60 4.133 23.525 3.570 437 H ARG 61 H ARG 61 1.210 18.792 3.180 438 HA ARG 61 HA ARG 61 3.292 16.780 3.700 439 HB2 ARG 61 1HB ARG 61 0.722 17.244 5.134 440 HB3 ARG 61 2HB ARG 61 1.238 15.581 4.892 441 HG2 ARG 61 1HG ARG 61 3.021 15.779 6.297 442 HG3 ARG 61 2HG ARG 61 3.212 17.506 5.989 443 HD2 ARG 61 1HD ARG 61 1.023 16.225 7.622 444 HD3 ARG 61 2HD ARG 61 2.420 17.091 8.261 445 HE ARG 61 HE ARG 61 0.887 18.681 6.448 446 HH11 ARG 61 2HH1 ARG 61 1.072 17.539 9.731 447 HH12 ARG 61 1HH1 ARG 61 0.179 18.872 10.383 448 HH21 ARG 61 2HH2 ARG 61 -0.290 20.442 7.294 449 HH22 ARG 61 1HH2 ARG 61 -0.596 20.522 8.996 450 H CYS 62 H CYS 62 2.904 14.699 2.824 451 HA CYS 62 HA CYS 62 0.751 14.572 0.823 452 HB2 CYS 62 1HB CYS 62 3.663 13.866 0.465 453 HB3 CYS 62 2HB CYS 62 2.407 13.292 -0.625 454 HG CYS 62 HG CYS 62 3.728 16.381 -0.317 455 H GLU 63 H GLU 63 -0.019 12.474 0.318 456 HA GLU 63 HA GLU 63 0.850 10.329 2.127 457 HB2 GLU 63 1HB GLU 63 -1.070 11.106 3.243 458 HB3 GLU 63 2HB GLU 63 -1.941 11.378 1.740 459 HG2 GLU 63 1HG GLU 63 -1.940 8.898 1.397 460 HG3 GLU 63 2HG GLU 63 -1.293 8.742 3.029 461 H LEU 64 H LEU 64 1.432 8.635 0.958 462 HA LEU 64 HA LEU 64 0.235 8.254 -1.695 463 HB2 LEU 64 1HB LEU 64 2.563 8.382 -1.894 464 HB3 LEU 64 2HB LEU 64 2.827 7.392 -0.460 465 HG LEU 64 HG LEU 64 1.976 5.429 -1.730 466 HD11 LEU 64 1HD1 LEU 64 1.518 5.506 -4.011 467 HD12 LEU 64 2HD1 LEU 64 2.268 7.090 -4.207 468 HD13 LEU 64 3HD1 LEU 64 0.719 6.945 -3.376 469 HD21 LEU 64 1HD2 LEU 64 4.104 4.996 -2.194 470 HD22 LEU 64 2HD2 LEU 64 4.469 6.688 -1.853 471 HD23 LEU 64 3HD2 LEU 64 4.114 6.178 -3.504 472 H GLN 65 H GLN 65 -0.801 6.393 -2.256 473 HA GLN 65 HA GLN 65 -1.036 4.307 -0.193 474 HB2 GLN 65 1HB GLN 65 -3.193 5.721 -1.718 475 HB3 GLN 65 2HB GLN 65 -3.440 4.058 -1.199 476 HG2 GLN 65 1HG GLN 65 -3.100 4.692 1.109 477 HG3 GLN 65 2HG GLN 65 -2.748 6.350 0.624 478 HE21 GLN 65 1HE2 GLN 65 -4.573 6.418 2.346 479 HE22 GLN 65 2HE2 GLN 65 -6.174 6.524 1.703 480 H ILE 66 H ILE 66 -0.615 2.314 -0.889 481 HA ILE 66 HA ILE 66 -0.546 1.851 -3.798 482 HB ILE 66 HB ILE 66 1.007 0.327 -1.709 483 HG12 ILE 66 1HG1 ILE 66 2.289 2.267 -3.588 484 HG13 ILE 66 2HG1 ILE 66 1.512 2.886 -2.135 485 HG21 ILE 66 1HG2 ILE 66 1.025 -1.087 -3.484 486 HG22 ILE 66 2HG2 ILE 66 0.750 0.203 -4.654 487 HG23 ILE 66 3HG2 ILE 66 2.359 -0.042 -3.975 488 HD11 ILE 66 1HD1 ILE 66 3.742 0.870 -2.246 489 HD12 ILE 66 2HD1 ILE 66 3.867 2.558 -1.750 490 HD13 ILE 66 3HD1 ILE 66 2.937 1.420 -0.777 491 H HIS 67 H HIS 67 -2.575 1.042 -4.143 492 HA HIS 67 HA HIS 67 -3.783 -0.906 -2.433 493 HB2 HIS 67 1HB HIS 67 -4.586 -0.336 -5.282 494 HB3 HIS 67 2HB HIS 67 -5.599 -0.901 -3.957 495 HD1 HIS 67 1HD HIS 67 -6.144 0.906 -2.071 496 HD2 HIS 67 2HD HIS 67 -4.445 2.386 -5.561 497 HE1 HIS 67 1HE HIS 67 -6.563 3.385 -2.024 498 HE2 HIS 67 2HE HIS 67 -5.601 4.247 -4.186 499 H ASP 68 H ASP 68 -4.262 -3.093 -2.950 500 HA ASP 68 HA ASP 68 -3.681 -5.205 -3.568 501 HB2 ASP 68 1HB ASP 68 -3.317 -3.652 -6.109 502 HB3 ASP 68 2HB ASP 68 -2.888 -5.360 -6.052 503 H LEU 69 H LEU 69 -1.797 -4.147 -2.008 504 HA LEU 69 HA LEU 69 0.788 -3.858 -2.951 505 HB2 LEU 69 1HB LEU 69 -0.401 -4.733 -0.369 506 HB3 LEU 69 2HB LEU 69 1.330 -4.960 -0.608 507 HG LEU 69 HG LEU 69 -0.032 -2.292 -0.917 508 HD11 LEU 69 1HD1 LEU 69 -0.194 -2.102 1.283 509 HD12 LEU 69 2HD1 LEU 69 1.531 -2.428 1.447 510 HD13 LEU 69 3HD1 LEU 69 0.376 -3.760 1.475 511 HD21 LEU 69 1HD2 LEU 69 2.093 -2.409 -2.019 512 HD22 LEU 69 2HD2 LEU 69 2.840 -3.153 -0.605 513 HD23 LEU 69 3HD2 LEU 69 2.288 -1.479 -0.533 514 H SER 70 H SER 70 2.580 -5.533 -2.202 515 HA SER 70 HA SER 70 2.048 -8.290 -2.425 516 HB2 SER 70 1HB SER 70 2.570 -6.808 -4.954 517 HB3 SER 70 2HB SER 70 3.368 -8.367 -4.751 518 HG SER 70 HG SER 70 0.659 -8.238 -4.128 519 H VAL 71 H VAL 71 3.805 -9.467 -1.839 520 HA VAL 71 HA VAL 71 5.914 -8.402 -0.501 521 HB VAL 71 HB VAL 71 7.181 -10.540 -1.096 522 HG11 VAL 71 1HG1 VAL 71 4.479 -11.275 -0.107 523 HG12 VAL 71 2HG1 VAL 71 6.070 -11.659 0.552 524 HG13 VAL 71 3HG1 VAL 71 5.382 -10.052 0.786 525 HG21 VAL 71 1HG2 VAL 71 4.832 -10.750 -2.871 526 HG22 VAL 71 2HG2 VAL 71 6.458 -11.409 -3.056 527 HG23 VAL 71 3HG2 VAL 71 5.292 -12.218 -2.008 528 H ALA 72 H ALA 72 5.658 -8.887 -3.966 529 HA ALA 72 HA ALA 72 8.383 -8.384 -4.584 530 HB1 ALA 72 1HB ALA 72 6.922 -7.644 -6.821 531 HB2 ALA 72 2HB ALA 72 7.596 -9.239 -6.482 532 HB3 ALA 72 3HB ALA 72 5.929 -8.873 -6.038 533 H ASP 73 H ASP 73 5.541 -6.335 -4.253 534 HA ASP 73 HA ASP 73 6.586 -3.982 -5.359 535 HB2 ASP 73 1HB ASP 73 4.378 -4.635 -3.469 536 HB3 ASP 73 2HB ASP 73 4.906 -2.956 -3.559 537 H ALA 74 H ALA 74 6.809 -5.328 -2.109 538 HA ALA 74 HA ALA 74 7.783 -3.242 -0.646 539 HB1 ALA 74 1HB ALA 74 8.060 -4.833 0.874 540 HB2 ALA 74 2HB ALA 74 7.704 -6.032 -0.371 541 HB3 ALA 74 3HB ALA 74 9.373 -5.555 -0.057 542 H GLY 75 H GLY 75 9.220 -1.775 -1.338 543 HA2 GLY 75 1HA GLY 75 11.925 -2.674 -1.921 544 HA3 GLY 75 2HA GLY 75 11.112 -1.813 -3.220 545 H GLU 76 H GLU 76 11.823 0.204 -3.330 546 HA GLU 76 HA GLU 76 11.978 1.767 -0.851 547 HB2 GLU 76 1HB GLU 76 14.261 1.132 -1.326 548 HB3 GLU 76 2HB GLU 76 14.097 1.643 -3.000 549 HG2 GLU 76 1HG GLU 76 14.151 3.891 -2.457 550 HG3 GLU 76 2HG GLU 76 13.691 3.600 -0.781 551 H TYR 77 H TYR 77 10.564 3.362 -1.060 552 HA TYR 77 HA TYR 77 9.971 4.431 -3.718 553 HB2 TYR 77 1HB TYR 77 8.559 4.785 -1.067 554 HB3 TYR 77 2HB TYR 77 8.044 5.527 -2.577 555 HD1 TYR 77 1HD TYR 77 8.498 2.296 -0.836 556 HD2 TYR 77 2HD TYR 77 6.799 4.300 -4.183 557 HE1 TYR 77 1HE TYR 77 7.191 0.283 -1.371 558 HE2 TYR 77 2HE TYR 77 5.486 2.293 -4.726 559 HH TYR 77 HH TYR 77 5.476 -0.525 -2.609 560 H SER 78 H SER 78 11.007 6.183 -4.370 561 HA SER 78 HA SER 78 11.966 8.096 -2.346 562 HB2 SER 78 1HB SER 78 13.022 7.993 -5.157 563 HB3 SER 78 2HB SER 78 13.811 8.585 -3.695 564 HG SER 78 HG SER 78 13.157 5.864 -4.158 565 H CYS 79 H CYS 79 11.536 10.260 -2.565 566 HA CYS 79 HA CYS 79 9.728 11.019 -4.763 567 HB2 CYS 79 1HB CYS 79 8.755 10.791 -2.362 568 HB3 CYS 79 2HB CYS 79 9.597 12.305 -2.052 569 HG CYS 79 HG CYS 79 7.770 12.447 -4.825 570 H MET 80 H MET 80 10.466 12.604 -6.004 571 HA MET 80 HA MET 80 12.692 14.239 -5.019 572 HB2 MET 80 1HB MET 80 11.710 14.017 -7.864 573 HB3 MET 80 2HB MET 80 13.246 14.668 -7.307 574 HG2 MET 80 1HG MET 80 13.845 12.399 -6.494 575 HG3 MET 80 2HG MET 80 12.361 11.795 -7.229 576 HE1 MET 80 1HE MET 80 13.431 10.101 -8.415 577 HE2 MET 80 2HE MET 80 14.299 10.268 -9.941 578 HE3 MET 80 3HE MET 80 15.176 10.359 -8.413 579 H CYS 81 H CYS 81 12.414 16.318 -4.543 580 HA CYS 81 HA CYS 81 10.080 17.721 -5.656 581 HB2 CYS 81 1HB CYS 81 9.522 17.164 -3.373 582 HB3 CYS 81 2HB CYS 81 11.065 17.785 -2.800 583 HG CYS 81 HG CYS 81 8.412 19.354 -2.579 584 H GLY 82 H GLY 82 11.171 18.934 -7.141 585 HA2 GLY 82 1HA GLY 82 12.332 20.780 -7.878 586 HA3 GLY 82 2HA GLY 82 12.566 21.231 -6.196 587 H GLN 83 H GLN 83 14.356 20.318 -5.040 588 HA GLN 83 HA GLN 83 16.484 19.288 -6.797 589 HB2 GLN 83 1HB GLN 83 16.756 21.711 -6.121 590 HB3 GLN 83 2HB GLN 83 16.934 21.150 -4.464 591 HG2 GLN 83 1HG GLN 83 18.955 20.069 -4.925 592 HG3 GLN 83 2HG GLN 83 18.686 20.121 -6.666 593 HE21 GLN 83 1HE2 GLN 83 20.446 21.225 -7.302 594 HE22 GLN 83 2HE2 GLN 83 20.822 22.838 -6.811 595 H GLU 84 H GLU 84 15.154 19.430 -3.532 596 HA GLU 84 HA GLU 84 16.964 17.546 -2.408 597 HB2 GLU 84 1HB GLU 84 14.342 18.721 -1.553 598 HB3 GLU 84 2HB GLU 84 15.028 17.369 -0.663 599 HG2 GLU 84 1HG GLU 84 15.568 19.571 0.310 600 HG3 GLU 84 2HG GLU 84 16.990 18.628 -0.131 601 H ARG 85 H ARG 85 16.093 15.471 -1.384 602 HA ARG 85 HA ARG 85 13.979 14.120 -2.784 603 HB2 ARG 85 1HB ARG 85 15.598 13.794 -4.488 604 HB3 ARG 85 2HB ARG 85 16.861 13.429 -3.321 605 HG2 ARG 85 1HG ARG 85 15.428 11.396 -2.699 606 HG3 ARG 85 2HG ARG 85 14.578 11.711 -4.213 607 HD2 ARG 85 1HD ARG 85 16.241 10.144 -4.757 608 HD3 ARG 85 2HD ARG 85 16.865 11.694 -5.320 609 HE ARG 85 HE ARG 85 18.557 11.539 -3.782 610 HH11 ARG 85 2HH1 ARG 85 16.092 9.200 -3.025 611 HH12 ARG 85 1HH1 ARG 85 17.035 8.405 -1.809 612 HH21 ARG 85 2HH2 ARG 85 19.810 10.500 -2.183 613 HH22 ARG 85 1HH2 ARG 85 19.150 9.146 -1.330 614 H THR 86 H THR 86 13.331 12.224 -1.766 615 HA THR 86 HA THR 86 14.844 11.413 0.619 616 HB THR 86 HB THR 86 12.976 12.949 1.273 617 HG1 THR 86 1HG THR 86 12.598 10.271 2.167 618 HG21 THR 86 1HG2 THR 86 10.676 11.954 1.219 619 HG22 THR 86 2HG2 THR 86 11.300 10.716 0.130 620 HG23 THR 86 3HG2 THR 86 11.310 12.409 -0.362 621 H SER 87 H SER 87 14.166 9.288 1.466 622 HA SER 87 HA SER 87 12.885 7.570 -0.539 623 HB2 SER 87 1HB SER 87 14.646 5.840 -0.134 624 HB3 SER 87 2HB SER 87 15.256 7.290 -0.931 625 HG SER 87 HG SER 87 16.265 6.234 1.167 626 H ALA 88 H ALA 88 11.889 5.707 0.281 627 HA ALA 88 HA ALA 88 11.863 5.348 3.183 628 HB1 ALA 88 1HB ALA 88 9.185 5.055 2.433 629 HB2 ALA 88 2HB ALA 88 9.888 6.332 3.428 630 HB3 ALA 88 3HB ALA 88 9.728 6.559 1.687 631 H THR 89 H THR 89 11.980 3.264 3.698 632 HA THR 89 HA THR 89 11.663 1.271 1.600 633 HB THR 89 HB THR 89 12.643 0.934 4.442 634 HG1 THR 89 1HG THR 89 14.135 1.033 2.016 635 HG21 THR 89 1HG2 THR 89 12.317 -1.243 4.006 636 HG22 THR 89 2HG2 THR 89 13.696 -1.096 2.915 637 HG23 THR 89 3HG2 THR 89 12.054 -0.948 2.288 638 H LEU 90 H LEU 90 9.622 0.623 1.282 639 HA LEU 90 HA LEU 90 7.667 0.541 3.368 640 HB2 LEU 90 1HB LEU 90 6.809 1.006 1.250 641 HB3 LEU 90 2HB LEU 90 7.723 -0.297 0.494 642 HG LEU 90 HG LEU 90 6.190 -1.841 1.926 643 HD11 LEU 90 1HD1 LEU 90 3.858 -0.554 1.872 644 HD12 LEU 90 2HD1 LEU 90 4.919 0.818 2.191 645 HD13 LEU 90 3HD1 LEU 90 4.909 -0.563 3.289 646 HD21 LEU 90 1HD2 LEU 90 4.940 -0.378 -0.387 647 HD22 LEU 90 2HD2 LEU 90 4.709 -2.059 0.095 648 HD23 LEU 90 3HD2 LEU 90 6.253 -1.539 -0.582 649 H THR 91 H THR 91 6.675 -1.268 4.288 650 HA THR 91 HA THR 91 8.295 -3.725 4.175 651 HB THR 91 HB THR 91 6.462 -2.883 6.424 652 HG1 THR 91 1HG THR 91 9.229 -2.436 5.989 653 HG21 THR 91 1HG2 THR 91 7.883 -5.297 5.806 654 HG22 THR 91 2HG2 THR 91 6.813 -4.955 7.165 655 HG23 THR 91 3HG2 THR 91 8.533 -4.587 7.283 656 H VAL 92 H VAL 92 7.381 -5.546 3.468 657 HA VAL 92 HA VAL 92 4.441 -5.684 3.339 658 HB VAL 92 HB VAL 92 6.344 -6.735 1.241 659 HG11 VAL 92 1HG1 VAL 92 4.415 -8.139 1.373 660 HG12 VAL 92 2HG1 VAL 92 3.337 -6.743 1.435 661 HG13 VAL 92 3HG1 VAL 92 4.231 -7.104 -0.042 662 HG21 VAL 92 1HG2 VAL 92 5.860 -4.928 -0.096 663 HG22 VAL 92 2HG2 VAL 92 4.345 -4.578 0.737 664 HG23 VAL 92 3HG2 VAL 92 5.884 -4.168 1.495 665 H ARG 93 H ARG 93 3.681 -7.316 4.498 666 HA ARG 93 HA ARG 93 5.451 -9.546 5.167 667 HB2 ARG 93 1HB ARG 93 2.987 -8.377 6.383 668 HB3 ARG 93 2HB ARG 93 3.345 -10.073 6.679 669 HG2 ARG 93 1HG ARG 93 5.712 -9.131 7.312 670 HG3 ARG 93 2HG ARG 93 4.804 -7.640 7.569 671 HD2 ARG 93 1HD ARG 93 4.744 -8.642 9.658 672 HD3 ARG 93 2HD ARG 93 3.206 -9.130 8.949 673 HE ARG 93 HE ARG 93 3.899 -11.285 9.144 674 HH11 ARG 93 2HH1 ARG 93 6.715 -9.245 8.972 675 HH12 ARG 93 1HH1 ARG 93 7.834 -10.550 9.186 676 HH21 ARG 93 2HH2 ARG 93 5.363 -13.012 9.426 677 HH22 ARG 93 1HH2 ARG 93 7.064 -12.692 9.443 678 H ALA 94 H ALA 94 5.258 -11.467 4.229 679 HA ALA 94 HA ALA 94 3.396 -11.959 2.164 680 HB1 ALA 94 1HB ALA 94 5.693 -13.258 3.281 681 HB2 ALA 94 2HB ALA 94 4.407 -14.436 3.016 682 HB3 ALA 94 3HB ALA 94 4.978 -13.437 1.679 683 H LEU 95 H LEU 95 1.623 -13.341 2.064 684 HA LEU 95 HA LEU 95 -0.177 -13.322 4.145 685 HB2 LEU 95 1HB LEU 95 0.091 -15.224 1.830 686 HB3 LEU 95 2HB LEU 95 -1.280 -15.248 2.937 687 HG LEU 95 HG LEU 95 -0.587 -13.289 0.806 688 HD11 LEU 95 1HD1 LEU 95 -2.969 -14.828 1.732 689 HD12 LEU 95 2HD1 LEU 95 -2.269 -14.698 0.119 690 HD13 LEU 95 3HD1 LEU 95 -3.194 -13.355 0.788 691 HD21 LEU 95 1HD2 LEU 95 -2.103 -11.634 1.834 692 HD22 LEU 95 2HD2 LEU 95 -0.625 -11.877 2.765 693 HD23 LEU 95 3HD2 LEU 95 -2.137 -12.611 3.303 694 HA PRO 96 HA PRO 96 1.009 -16.417 7.024 695 HB2 PRO 96 1HB PRO 96 -1.414 -17.288 7.883 696 HB3 PRO 96 2HB PRO 96 -0.749 -15.711 8.324 697 HG2 PRO 96 1HG PRO 96 -2.756 -16.396 6.212 698 HG3 PRO 96 2HG PRO 96 -2.760 -15.048 7.363 699 HD2 PRO 96 1HD PRO 96 -1.994 -14.758 4.782 700 HD3 PRO 96 2HD PRO 96 -1.288 -13.801 6.101 701 H ALA 97 H ALA 97 1.931 -18.238 6.300 702 HA ALA 97 HA ALA 97 0.662 -19.987 4.421 703 HB1 ALA 97 1HB ALA 97 3.107 -19.616 4.491 704 HB2 ALA 97 2HB ALA 97 3.163 -20.467 6.035 705 HB3 ALA 97 3HB ALA 97 2.662 -21.321 4.576 706 H ARG 98 H ARG 98 0.029 -22.152 4.750 707 HA ARG 98 HA ARG 98 -1.345 -22.609 7.203 708 HB2 ARG 98 1HB ARG 98 -0.814 -24.526 4.925 709 HB3 ARG 98 2HB ARG 98 -2.002 -24.744 6.203 710 HG2 ARG 98 1HG ARG 98 -3.447 -23.220 5.314 711 HG3 ARG 98 2HG ARG 98 -2.162 -22.285 4.547 712 HD2 ARG 98 1HD ARG 98 -3.449 -23.391 2.843 713 HD3 ARG 98 2HD ARG 98 -1.850 -24.131 2.925 714 HE ARG 98 HE ARG 98 -3.738 -25.515 4.547 715 HH11 ARG 98 2HH1 ARG 98 -2.661 -25.085 1.264 716 HH12 ARG 98 1HH1 ARG 98 -3.191 -26.651 0.747 717 HH21 ARG 98 2HH2 ARG 98 -4.441 -27.579 3.878 718 HH22 ARG 98 1HH2 ARG 98 -4.205 -28.069 2.234 719 H PHE 99 H PHE 99 -0.184 -22.992 8.991 720 HA PHE 99 HA PHE 99 2.125 -24.785 8.846 721 HB2 PHE 99 1HB PHE 99 2.472 -22.637 9.969 722 HB3 PHE 99 2HB PHE 99 1.163 -22.998 11.089 723 HD1 PHE 99 1HD PHE 99 4.367 -24.484 9.890 724 HD2 PHE 99 2HD PHE 99 1.711 -23.839 13.152 725 HE1 PHE 99 1HE PHE 99 5.972 -25.569 11.406 726 HE2 PHE 99 2HE PHE 99 3.312 -24.921 14.674 727 HZ PHE 99 HZ PHE 99 5.446 -25.787 13.802 728 H THR 100 H THR 100 -0.765 -24.292 10.871 729 HA THR 100 HA THR 100 -0.517 -26.851 12.131 730 HB THR 100 HB THR 100 -2.923 -25.020 12.074 731 HG1 THR 100 1HG THR 100 -0.681 -24.353 13.000 732 HG21 THR 100 1HG2 THR 100 -3.870 -26.800 13.074 733 HG22 THR 100 2HG2 THR 100 -2.919 -26.315 14.478 734 HG23 THR 100 3HG2 THR 100 -2.316 -27.568 13.394 735 H GLU 101 H GLU 101 -0.868 -28.682 11.060 736 HA GLU 101 HA GLU 101 -2.931 -28.743 8.973 737 HB2 GLU 101 1HB GLU 101 -0.491 -29.501 8.579 738 HB3 GLU 101 2HB GLU 101 -0.939 -30.932 9.497 739 HG2 GLU 101 1HG GLU 101 -2.564 -30.059 7.146 740 HG3 GLU 101 2HG GLU 101 -1.085 -30.992 6.929 741 H GLY 102 H GLY 102 -4.762 -28.958 10.272 742 HA2 GLY 102 1HA GLY 102 -6.279 -30.004 11.662 743 HA3 GLY 102 2HA GLY 102 -5.772 -31.433 10.775 744 H SER 103 H SER 103 -6.295 -32.553 12.786 745 HA SER 103 HA SER 103 -4.680 -32.079 15.112 746 HB2 SER 103 1HB SER 103 -7.078 -33.169 14.884 747 HB3 SER 103 2HB SER 103 -6.145 -34.654 14.700 748 HG SER 103 HG SER 103 -6.068 -32.836 16.877 749 H GLY 104 H GLY 104 -2.639 -32.690 15.338 750 HA2 GLY 104 1HA GLY 104 -1.464 -34.606 13.514 751 HA3 GLY 104 2HA GLY 104 -0.619 -33.679 14.745 752 HA PRO 105 HA PRO 105 -0.276 -37.393 17.071 753 HB2 PRO 105 1HB PRO 105 0.212 -36.319 19.516 754 HB3 PRO 105 2HB PRO 105 1.412 -36.340 18.219 755 HG2 PRO 105 1HG PRO 105 -0.391 -34.117 19.094 756 HG3 PRO 105 2HG PRO 105 1.325 -34.057 18.653 757 HD2 PRO 105 1HD PRO 105 -0.643 -33.313 16.949 758 HD3 PRO 105 2HD PRO 105 0.874 -34.048 16.393 759 H SER 106 H SER 106 -2.071 -38.558 17.410 760 HA SER 106 HA SER 106 -4.047 -37.526 19.339 761 HB2 SER 106 1HB SER 106 -4.622 -39.381 17.018 762 HB3 SER 106 2HB SER 106 -5.800 -38.654 18.111 763 HG SER 106 HG SER 106 -4.741 -37.643 15.865 764 H SER 107 H SER 107 -2.829 -38.570 21.013 765 HA SER 107 HA SER 107 -2.284 -40.275 22.424 766 HB2 SER 107 1HB SER 107 -4.815 -41.382 21.192 767 HB3 SER 107 2HB SER 107 -4.012 -42.098 22.590 768 HG SER 107 HG SER 107 -5.296 -39.598 22.368 769 H GLY 108 H GLY 108 -0.633 -40.372 20.359 770 HA2 GLY 108 1HA GLY 108 -0.008 -43.170 20.159 771 HA3 GLY 108 2HA GLY 108 -0.527 -42.482 18.627 Start of MODEL 14 1 H1 GLY 1 H GLY 1 23.548 35.676 -12.779 2 HA2 GLY 1 1HA GLY 1 23.339 33.989 -10.555 3 HA3 GLY 1 2HA GLY 1 24.028 35.510 -10.007 4 H SER 2 H SER 2 22.638 37.007 -9.363 5 HA SER 2 HA SER 2 20.700 38.140 -8.993 6 HB2 SER 2 1HB SER 2 20.262 37.251 -11.844 7 HB3 SER 2 2HB SER 2 19.106 38.271 -10.986 8 HG SER 2 HG SER 2 20.875 39.294 -12.306 9 H SER 3 H SER 3 20.813 35.581 -7.936 10 HA SER 3 HA SER 3 18.391 34.148 -8.533 11 HB2 SER 3 1HB SER 3 20.441 33.830 -6.331 12 HB3 SER 3 2HB SER 3 19.061 32.754 -6.553 13 HG SER 3 HG SER 3 21.362 33.057 -8.111 14 H GLY 4 H GLY 4 16.637 35.447 -8.125 15 HA2 GLY 4 1HA GLY 4 16.394 36.829 -5.586 16 HA3 GLY 4 2HA GLY 4 15.225 36.839 -6.898 17 H SER 5 H SER 5 14.371 34.428 -7.283 18 HA SER 5 HA SER 5 12.708 33.848 -5.122 19 HB2 SER 5 1HB SER 5 13.518 32.033 -7.407 20 HB3 SER 5 2HB SER 5 12.135 31.779 -6.342 21 HG SER 5 HG SER 5 12.351 34.232 -7.662 22 H SER 6 H SER 6 13.186 33.004 -3.216 23 HA SER 6 HA SER 6 15.535 32.089 -2.273 24 HB2 SER 6 1HB SER 6 13.755 32.365 -0.725 25 HB3 SER 6 2HB SER 6 12.746 31.182 -1.558 26 HG SER 6 HG SER 6 14.214 30.691 0.479 27 H GLY 7 H GLY 7 13.065 30.042 -3.811 28 HA2 GLY 7 1HA GLY 7 14.348 28.417 -5.395 29 HA3 GLY 7 2HA GLY 7 14.985 27.822 -3.869 30 HA PRO 8 HA PRO 8 10.959 25.659 -5.041 31 HB2 PRO 8 1HB PRO 8 12.010 23.177 -5.366 32 HB3 PRO 8 2HB PRO 8 11.882 24.346 -6.685 33 HG2 PRO 8 1HG PRO 8 14.250 23.657 -4.989 34 HG3 PRO 8 2HG PRO 8 14.168 23.922 -6.740 35 HD2 PRO 8 1HD PRO 8 15.055 25.816 -5.021 36 HD3 PRO 8 2HD PRO 8 14.195 26.216 -6.522 37 H ALA 9 H ALA 9 9.843 24.117 -3.740 38 HA ALA 9 HA ALA 9 10.392 24.251 -1.002 39 HB1 ALA 9 1HB ALA 9 8.774 22.039 -1.256 40 HB2 ALA 9 2HB ALA 9 8.230 23.711 -1.118 41 HB3 ALA 9 3HB ALA 9 8.413 22.972 -2.708 42 H ARG 10 H ARG 10 11.030 22.632 0.493 43 HA ARG 10 HA ARG 10 12.567 20.406 -0.664 44 HB2 ARG 10 1HB ARG 10 14.356 20.762 0.907 45 HB3 ARG 10 2HB ARG 10 14.063 22.267 0.046 46 HG2 ARG 10 1HG ARG 10 12.720 21.804 2.666 47 HG3 ARG 10 2HG ARG 10 14.424 22.261 2.628 48 HD2 ARG 10 1HD ARG 10 12.505 23.825 0.980 49 HD3 ARG 10 2HD ARG 10 12.499 24.071 2.726 50 HE ARG 10 HE ARG 10 15.142 24.213 1.838 51 HH11 ARG 10 2HH1 ARG 10 12.155 25.973 1.529 52 HH12 ARG 10 1HH1 ARG 10 12.930 27.506 1.303 53 HH21 ARG 10 2HH2 ARG 10 16.175 26.225 1.541 54 HH22 ARG 10 1HH2 ARG 10 15.217 27.648 1.309 55 H PHE 11 H PHE 11 13.265 18.887 1.262 56 HA PHE 11 HA PHE 11 10.780 18.176 2.617 57 HB2 PHE 11 1HB PHE 11 13.361 16.667 2.179 58 HB3 PHE 11 2HB PHE 11 12.020 16.041 3.133 59 HD1 PHE 11 1HD PHE 11 9.821 15.625 2.022 60 HD2 PHE 11 2HD PHE 11 13.353 16.546 -0.169 61 HE1 PHE 11 1HE PHE 11 8.782 14.733 -0.022 62 HE2 PHE 11 2HE PHE 11 12.318 15.657 -2.216 63 HZ PHE 11 HZ PHE 11 10.030 14.749 -2.145 64 H THR 12 H THR 12 10.520 18.117 4.794 65 HA THR 12 HA THR 12 12.758 19.142 6.415 66 HB THR 12 HB THR 12 11.083 20.029 7.976 67 HG1 THR 12 1HG THR 12 9.148 19.252 6.034 68 HG21 THR 12 1HG2 THR 12 9.892 21.489 5.985 69 HG22 THR 12 2HG2 THR 12 11.347 20.887 5.191 70 HG23 THR 12 3HG2 THR 12 11.478 21.821 6.680 71 H GLN 13 H GLN 13 10.350 16.659 6.076 72 HA GLN 13 HA GLN 13 11.477 15.307 8.436 73 HB2 GLN 13 1HB GLN 13 8.639 15.779 7.688 74 HB3 GLN 13 2HB GLN 13 9.037 14.217 8.392 75 HG2 GLN 13 1HG GLN 13 9.998 16.686 9.743 76 HG3 GLN 13 2HG GLN 13 8.300 16.233 9.890 77 HE21 GLN 13 1HE2 GLN 13 8.184 15.556 11.938 78 HE22 GLN 13 2HE2 GLN 13 9.125 14.273 12.611 79 H ASP 14 H ASP 14 12.743 13.783 7.562 80 HA ASP 14 HA ASP 14 12.784 12.601 5.163 81 HB2 ASP 14 1HB ASP 14 13.555 10.471 6.347 82 HB3 ASP 14 2HB ASP 14 14.444 11.947 6.713 83 H LEU 15 H LEU 15 11.536 11.348 3.929 84 HA LEU 15 HA LEU 15 8.890 10.862 4.348 85 HB2 LEU 15 1HB LEU 15 10.472 10.439 2.290 86 HB3 LEU 15 2HB LEU 15 10.457 8.784 2.895 87 HG LEU 15 HG LEU 15 7.952 10.312 2.215 88 HD11 LEU 15 1HD1 LEU 15 8.725 10.185 0.101 89 HD12 LEU 15 2HD1 LEU 15 8.178 8.514 0.231 90 HD13 LEU 15 3HD1 LEU 15 9.879 8.907 0.482 91 HD21 LEU 15 1HD2 LEU 15 7.620 7.562 1.896 92 HD22 LEU 15 2HD2 LEU 15 6.983 8.570 3.196 93 HD23 LEU 15 3HD2 LEU 15 8.531 7.747 3.395 94 H LYS 16 H LYS 16 7.632 9.074 4.984 95 HA LYS 16 HA LYS 16 9.010 6.992 6.527 96 HB2 LYS 16 1HB LYS 16 8.294 8.693 8.131 97 HB3 LYS 16 2HB LYS 16 6.653 8.616 7.504 98 HG2 LYS 16 1HG LYS 16 6.727 7.382 9.537 99 HG3 LYS 16 2HG LYS 16 6.567 6.229 8.210 100 HD2 LYS 16 1HD LYS 16 9.210 6.242 8.364 101 HD3 LYS 16 2HD LYS 16 8.871 6.746 10.021 102 HE2 LYS 16 1HE LYS 16 7.190 4.729 9.947 103 HE3 LYS 16 2HE LYS 16 8.240 4.177 8.643 104 HZ1 LYS 16 1HZ LYS 16 9.876 3.680 10.065 105 HZ2 LYS 16 2HZ LYS 16 8.664 3.687 11.245 106 HZ3 LYS 16 3HZ LYS 16 9.631 5.057 11.017 107 H THR 17 H THR 17 7.799 5.050 6.814 108 HA THR 17 HA THR 17 5.395 4.795 5.147 109 HB THR 17 HB THR 17 7.340 4.028 3.814 110 HG1 THR 17 1HG THR 17 6.041 2.557 3.022 111 HG21 THR 17 1HG2 THR 17 8.053 2.773 6.279 112 HG22 THR 17 2HG2 THR 17 8.976 2.866 4.779 113 HG23 THR 17 3HG2 THR 17 7.853 1.532 5.043 114 H LYS 18 H LYS 18 4.743 2.244 5.423 115 HA LYS 18 HA LYS 18 4.832 1.640 8.299 116 HB2 LYS 18 1HB LYS 18 2.435 1.033 8.218 117 HB3 LYS 18 2HB LYS 18 2.710 2.741 7.902 118 HG2 LYS 18 1HG LYS 18 1.208 2.287 6.261 119 HG3 LYS 18 2HG LYS 18 2.702 1.922 5.394 120 HD2 LYS 18 1HD LYS 18 2.371 -0.480 6.223 121 HD3 LYS 18 2HD LYS 18 0.724 0.018 6.616 122 HE2 LYS 18 1HE LYS 18 0.374 -0.737 4.498 123 HE3 LYS 18 2HE LYS 18 0.812 0.929 4.127 124 HZ1 LYS 18 1HZ LYS 18 2.681 0.287 3.121 125 HZ2 LYS 18 2HZ LYS 18 1.987 -1.254 3.067 126 HZ3 LYS 18 3HZ LYS 18 3.064 -0.855 4.309 127 H GLU 19 H GLU 19 3.537 -0.628 8.524 128 HA GLU 19 HA GLU 19 4.730 -2.426 6.517 129 HB2 GLU 19 1HB GLU 19 6.006 -2.864 8.406 130 HB3 GLU 19 2HB GLU 19 4.660 -2.588 9.504 131 HG2 GLU 19 1HG GLU 19 3.636 -4.694 8.711 132 HG3 GLU 19 2HG GLU 19 5.070 -4.981 7.726 133 H ALA 20 H ALA 20 3.141 -3.216 5.303 134 HA ALA 20 HA ALA 20 0.685 -4.133 6.652 135 HB1 ALA 20 1HB ALA 20 -0.278 -3.743 4.227 136 HB2 ALA 20 2HB ALA 20 -0.177 -2.428 5.400 137 HB3 ALA 20 3HB ALA 20 1.048 -2.583 4.141 138 H SER 21 H SER 21 -0.497 -5.822 5.321 139 HA SER 21 HA SER 21 1.472 -7.790 4.392 140 HB2 SER 21 1HB SER 21 -1.284 -8.031 5.575 141 HB3 SER 21 2HB SER 21 -0.564 -9.370 4.680 142 HG SER 21 HG SER 21 0.438 -8.113 7.016 143 H GLU 22 H GLU 22 0.582 -9.347 2.693 144 HA GLU 22 HA GLU 22 0.221 -8.046 0.293 145 HB2 GLU 22 1HB GLU 22 -0.324 -10.842 1.207 146 HB3 GLU 22 2HB GLU 22 -0.842 -10.352 -0.400 147 HG2 GLU 22 1HG GLU 22 1.424 -9.781 -1.000 148 HG3 GLU 22 2HG GLU 22 1.976 -10.142 0.634 149 H GLY 23 H GLY 23 -1.512 -7.501 -0.997 150 HA2 GLY 23 1HA GLY 23 -3.715 -7.100 -1.581 151 HA3 GLY 23 2HA GLY 23 -4.217 -8.118 -0.239 152 H ALA 24 H ALA 24 -2.073 -5.911 0.961 153 HA ALA 24 HA ALA 24 -4.207 -4.376 2.180 154 HB1 ALA 24 1HB ALA 24 -1.224 -4.380 2.605 155 HB2 ALA 24 2HB ALA 24 -2.350 -3.356 3.497 156 HB3 ALA 24 3HB ALA 24 -2.457 -5.111 3.634 157 H THR 25 H THR 25 -3.271 -1.920 2.585 158 HA THR 25 HA THR 25 -2.781 -0.816 -0.103 159 HB THR 25 HB THR 25 -4.472 0.548 1.990 160 HG1 THR 25 1HG THR 25 -6.181 -0.170 0.366 161 HG21 THR 25 1HG2 THR 25 -4.989 2.106 0.364 162 HG22 THR 25 2HG2 THR 25 -4.617 1.003 -0.960 163 HG23 THR 25 3HG2 THR 25 -3.311 1.739 -0.032 164 H ALA 26 H ALA 26 -0.652 -0.311 0.084 165 HA ALA 26 HA ALA 26 0.848 0.450 2.195 166 HB1 ALA 26 1HB ALA 26 0.969 1.576 -0.598 167 HB2 ALA 26 2HB ALA 26 2.231 1.783 0.617 168 HB3 ALA 26 3HB ALA 26 1.833 0.170 0.026 169 H THR 27 H THR 27 1.685 2.592 2.861 170 HA THR 27 HA THR 27 0.109 4.933 2.409 171 HB THR 27 HB THR 27 -0.056 3.730 5.177 172 HG1 THR 27 1HG THR 27 -2.313 4.118 3.560 173 HG21 THR 27 1HG2 THR 27 -0.228 6.001 5.530 174 HG22 THR 27 2HG2 THR 27 -1.916 5.586 5.228 175 HG23 THR 27 3HG2 THR 27 -0.940 6.301 3.945 176 H LEU 28 H LEU 28 1.749 6.318 2.217 177 HA LEU 28 HA LEU 28 3.786 6.356 4.346 178 HB2 LEU 28 1HB LEU 28 4.136 7.014 1.425 179 HB3 LEU 28 2HB LEU 28 5.372 7.210 2.665 180 HG LEU 28 HG LEU 28 4.857 4.601 2.982 181 HD11 LEU 28 1HD1 LEU 28 3.565 5.297 0.518 182 HD12 LEU 28 2HD1 LEU 28 3.618 3.747 1.355 183 HD13 LEU 28 3HD1 LEU 28 4.893 4.177 0.215 184 HD21 LEU 28 1HD2 LEU 28 6.675 5.798 0.893 185 HD22 LEU 28 2HD2 LEU 28 6.818 4.178 1.575 186 HD23 LEU 28 3HD2 LEU 28 7.048 5.592 2.605 187 H GLN 29 H GLN 29 4.157 8.256 5.338 188 HA GLN 29 HA GLN 29 2.783 10.633 4.267 189 HB2 GLN 29 1HB GLN 29 3.216 9.801 7.138 190 HB3 GLN 29 2HB GLN 29 2.619 11.384 6.657 191 HG2 GLN 29 1HG GLN 29 0.601 10.530 5.890 192 HG3 GLN 29 2HG GLN 29 1.232 8.889 5.767 193 HE21 GLN 29 1HE2 GLN 29 -1.144 9.896 7.136 194 HE22 GLN 29 2HE2 GLN 29 -0.978 9.421 8.788 195 H CYS 30 H CYS 30 3.928 12.472 4.039 196 HA CYS 30 HA CYS 30 6.612 12.607 5.223 197 HB2 CYS 30 1HB CYS 30 7.495 13.525 3.102 198 HB3 CYS 30 2HB CYS 30 6.927 11.869 2.929 199 HG CYS 30 HG CYS 30 4.347 13.579 2.180 200 H GLU 31 H GLU 31 7.528 14.945 4.637 201 HA GLU 31 HA GLU 31 5.386 16.920 5.005 202 HB2 GLU 31 1HB GLU 31 6.723 16.120 7.150 203 HB3 GLU 31 2HB GLU 31 7.919 17.259 6.545 204 HG2 GLU 31 1HG GLU 31 6.609 19.075 6.958 205 HG3 GLU 31 2HG GLU 31 5.106 18.176 6.760 206 H LEU 32 H LEU 32 6.209 19.187 4.712 207 HA LEU 32 HA LEU 32 8.586 19.419 3.047 208 HB2 LEU 32 1HB LEU 32 5.821 20.155 2.105 209 HB3 LEU 32 2HB LEU 32 7.306 20.680 1.315 210 HG LEU 32 HG LEU 32 6.546 17.784 1.650 211 HD11 LEU 32 1HD1 LEU 32 5.026 18.042 0.058 212 HD12 LEU 32 2HD1 LEU 32 6.310 18.553 -1.036 213 HD13 LEU 32 3HD1 LEU 32 5.419 19.754 -0.102 214 HD21 LEU 32 1HD2 LEU 32 8.777 17.738 1.180 215 HD22 LEU 32 2HD2 LEU 32 8.746 19.282 0.328 216 HD23 LEU 32 3HD2 LEU 32 8.138 17.826 -0.462 217 H SER 33 H SER 33 9.308 21.597 2.770 218 HA SER 33 HA SER 33 8.933 23.209 5.063 219 HB2 SER 33 1HB SER 33 11.033 23.189 3.770 220 HB3 SER 33 2HB SER 33 10.199 23.940 2.410 221 HG SER 33 HG SER 33 11.015 25.646 3.435 222 H LYS 34 H LYS 34 7.331 23.055 2.014 223 HA LYS 34 HA LYS 34 5.356 24.948 2.866 224 HB2 LYS 34 1HB LYS 34 5.646 26.618 1.200 225 HB3 LYS 34 2HB LYS 34 7.218 26.392 1.955 226 HG2 LYS 34 1HG LYS 34 8.090 25.295 0.097 227 HG3 LYS 34 2HG LYS 34 6.491 24.941 -0.561 228 HD2 LYS 34 1HD LYS 34 7.147 26.679 -1.917 229 HD3 LYS 34 2HD LYS 34 6.287 27.553 -0.648 230 HE2 LYS 34 1HE LYS 34 8.420 27.998 0.476 231 HE3 LYS 34 2HE LYS 34 9.271 27.134 -0.803 232 HZ1 LYS 34 1HZ LYS 34 7.877 28.909 -2.222 233 HZ2 LYS 34 2HZ LYS 34 9.453 29.180 -1.673 234 HZ3 LYS 34 3HZ LYS 34 8.138 29.802 -0.809 235 H VAL 35 H VAL 35 3.539 25.075 1.377 236 HA VAL 35 HA VAL 35 2.847 22.575 0.297 237 HB VAL 35 HB VAL 35 1.576 25.251 -0.298 238 HG11 VAL 35 1HG1 VAL 35 1.097 22.747 -1.432 239 HG12 VAL 35 2HG1 VAL 35 -0.194 22.977 -0.252 240 HG13 VAL 35 3HG1 VAL 35 0.065 24.174 -1.522 241 HG21 VAL 35 1HG2 VAL 35 1.834 24.097 2.161 242 HG22 VAL 35 2HG2 VAL 35 0.542 25.202 1.692 243 HG23 VAL 35 3HG2 VAL 35 0.281 23.459 1.621 244 H ALA 36 H ALA 36 3.978 21.738 -1.356 245 HA ALA 36 HA ALA 36 3.910 23.160 -3.900 246 HB1 ALA 36 1HB ALA 36 6.130 23.381 -4.221 247 HB2 ALA 36 2HB ALA 36 6.173 23.384 -2.458 248 HB3 ALA 36 3HB ALA 36 6.514 21.899 -3.345 249 HA PRO 37 HA PRO 37 2.997 19.158 -5.472 250 HB2 PRO 37 1HB PRO 37 3.823 19.453 -8.041 251 HB3 PRO 37 2HB PRO 37 2.359 20.215 -7.410 252 HG2 PRO 37 1HG PRO 37 5.081 21.392 -7.820 253 HG3 PRO 37 2HG PRO 37 3.493 22.093 -8.181 254 HD2 PRO 37 1HD PRO 37 4.906 22.751 -5.967 255 HD3 PRO 37 2HD PRO 37 3.131 22.719 -5.993 256 H VAL 38 H VAL 38 4.020 17.272 -5.273 257 HA VAL 38 HA VAL 38 6.890 17.148 -5.937 258 HB VAL 38 HB VAL 38 7.129 15.429 -4.167 259 HG11 VAL 38 1HG1 VAL 38 6.065 18.077 -3.187 260 HG12 VAL 38 2HG1 VAL 38 7.104 16.974 -2.282 261 HG13 VAL 38 3HG1 VAL 38 7.713 17.768 -3.735 262 HG21 VAL 38 1HG2 VAL 38 5.381 14.537 -3.122 263 HG22 VAL 38 2HG2 VAL 38 4.784 16.128 -2.648 264 HG23 VAL 38 3HG2 VAL 38 4.332 15.446 -4.211 265 H GLU 39 H GLU 39 7.614 14.793 -6.229 266 HA GLU 39 HA GLU 39 5.532 13.220 -7.581 267 HB2 GLU 39 1HB GLU 39 6.785 14.438 -9.297 268 HB3 GLU 39 2HB GLU 39 8.295 13.798 -8.664 269 HG2 GLU 39 1HG GLU 39 7.979 12.351 -10.376 270 HG3 GLU 39 2HG GLU 39 7.091 11.491 -9.120 271 H TRP 40 H TRP 40 5.567 11.096 -7.142 272 HA TRP 40 HA TRP 40 7.652 10.127 -5.339 273 HB2 TRP 40 1HB TRP 40 5.007 8.889 -6.135 274 HB3 TRP 40 2HB TRP 40 6.121 8.232 -4.938 275 HD1 TRP 40 HD TRP 40 4.059 11.477 -5.483 276 HE1 TRP 40 1HE TRP 40 3.309 12.332 -3.173 277 HE3 TRP 40 3HE TRP 40 6.409 8.022 -2.537 278 HZ2 TRP 40 2HZ TRP 40 3.667 11.633 -0.462 279 HZ3 TRP 40 3HZ TRP 40 6.155 8.186 -0.095 280 HH2 TRP 40 HH TRP 40 4.812 9.955 0.919 281 H LYS 41 H LYS 41 8.791 8.194 -5.698 282 HA LYS 41 HA LYS 41 8.636 7.048 -8.392 283 HB2 LYS 41 1HB LYS 41 10.958 8.444 -7.164 284 HB3 LYS 41 2HB LYS 41 11.293 6.993 -8.098 285 HG2 LYS 41 1HG LYS 41 9.707 8.229 -9.840 286 HG3 LYS 41 2HG LYS 41 10.328 9.644 -8.985 287 HD2 LYS 41 1HD LYS 41 12.577 9.076 -9.511 288 HD3 LYS 41 2HD LYS 41 12.104 7.481 -10.100 289 HE2 LYS 41 1HE LYS 41 11.168 8.345 -12.048 290 HE3 LYS 41 2HE LYS 41 11.021 9.967 -11.373 291 HZ1 LYS 41 1HZ LYS 41 13.388 8.625 -12.481 292 HZ2 LYS 41 2HZ LYS 41 13.598 9.816 -11.298 293 HZ3 LYS 41 3HZ LYS 41 12.820 10.195 -12.751 294 H LYS 42 H LYS 42 9.298 4.901 -8.554 295 HA LYS 42 HA LYS 42 9.678 3.538 -5.970 296 HB2 LYS 42 1HB LYS 42 7.566 2.987 -7.119 297 HB3 LYS 42 2HB LYS 42 8.477 2.453 -8.525 298 HG2 LYS 42 1HG LYS 42 9.293 0.566 -7.435 299 HG3 LYS 42 2HG LYS 42 8.934 1.220 -5.835 300 HD2 LYS 42 1HD LYS 42 6.564 0.963 -6.216 301 HD3 LYS 42 2HD LYS 42 6.852 0.451 -7.881 302 HE2 LYS 42 1HE LYS 42 8.053 -1.042 -5.576 303 HE3 LYS 42 2HE LYS 42 6.392 -1.346 -6.084 304 HZ1 LYS 42 1HZ LYS 42 8.858 -2.137 -7.325 305 HZ2 LYS 42 2HZ LYS 42 7.776 -1.421 -8.410 306 HZ3 LYS 42 3HZ LYS 42 7.301 -2.774 -7.512 307 H GLY 43 H GLY 43 11.606 4.673 -8.113 308 HA2 GLY 43 1HA GLY 43 13.851 3.338 -7.745 309 HA3 GLY 43 2HA GLY 43 13.041 2.234 -8.846 310 HA PRO 44 HA PRO 44 15.450 4.884 -11.633 311 HB2 PRO 44 1HB PRO 44 15.570 3.038 -13.620 312 HB3 PRO 44 2HB PRO 44 16.667 3.030 -12.233 313 HG2 PRO 44 1HG PRO 44 14.199 1.402 -12.706 314 HG3 PRO 44 2HG PRO 44 15.766 0.894 -12.050 315 HD2 PRO 44 1HD PRO 44 13.624 1.403 -10.475 316 HD3 PRO 44 2HD PRO 44 15.291 1.706 -9.946 317 H GLU 45 H GLU 45 12.301 3.961 -11.523 318 HA GLU 45 HA GLU 45 11.697 5.225 -14.116 319 HB2 GLU 45 1HB GLU 45 10.541 2.835 -12.785 320 HB3 GLU 45 2HB GLU 45 9.425 3.887 -13.643 321 HG2 GLU 45 1HG GLU 45 10.290 3.381 -15.684 322 HG3 GLU 45 2HG GLU 45 11.903 3.067 -15.047 323 H THR 46 H THR 46 9.317 6.065 -14.080 324 HA THR 46 HA THR 46 8.972 7.598 -11.586 325 HB THR 46 HB THR 46 7.824 8.530 -14.190 326 HG1 THR 46 1HG THR 46 9.914 9.777 -14.293 327 HG21 THR 46 1HG2 THR 46 7.755 10.610 -13.178 328 HG22 THR 46 2HG2 THR 46 9.069 10.228 -12.065 329 HG23 THR 46 3HG2 THR 46 7.467 9.539 -11.807 330 H LEU 47 H LEU 47 7.019 7.617 -10.598 331 HA LEU 47 HA LEU 47 4.973 5.831 -11.696 332 HB2 LEU 47 1HB LEU 47 5.373 6.957 -8.930 333 HB3 LEU 47 2HB LEU 47 4.012 5.940 -9.400 334 HG LEU 47 HG LEU 47 6.916 5.121 -9.356 335 HD11 LEU 47 1HD1 LEU 47 6.508 4.813 -7.186 336 HD12 LEU 47 2HD1 LEU 47 5.490 3.466 -7.691 337 HD13 LEU 47 3HD1 LEU 47 4.772 5.048 -7.389 338 HD21 LEU 47 1HD2 LEU 47 5.664 2.819 -9.623 339 HD22 LEU 47 2HD2 LEU 47 6.106 3.789 -11.028 340 HD23 LEU 47 3HD2 LEU 47 4.453 3.830 -10.413 341 H ARG 48 H ARG 48 2.672 6.593 -10.713 342 HA ARG 48 HA ARG 48 2.234 9.434 -10.940 343 HB2 ARG 48 1HB ARG 48 1.278 7.530 -13.078 344 HB3 ARG 48 2HB ARG 48 0.565 9.118 -12.823 345 HG2 ARG 48 1HG ARG 48 2.058 9.674 -14.425 346 HG3 ARG 48 2HG ARG 48 3.111 9.856 -13.021 347 HD2 ARG 48 1HD ARG 48 4.452 8.537 -14.301 348 HD3 ARG 48 2HD ARG 48 3.532 7.278 -13.477 349 HE ARG 48 HE ARG 48 2.235 8.034 -15.873 350 HH11 ARG 48 2HH1 ARG 48 4.995 6.268 -14.695 351 HH12 ARG 48 1HH1 ARG 48 5.060 5.203 -16.061 352 HH21 ARG 48 2HH2 ARG 48 2.311 6.639 -17.676 353 HH22 ARG 48 1HH2 ARG 48 3.534 5.416 -17.756 354 H ASP 49 H ASP 49 -0.157 9.937 -10.776 355 HA ASP 49 HA ASP 49 -1.304 8.183 -8.751 356 HB2 ASP 49 1HB ASP 49 -2.587 10.004 -8.048 357 HB3 ASP 49 2HB ASP 49 -1.086 10.759 -8.576 358 H GLY 50 H GLY 50 -2.628 6.617 -9.385 359 HA2 GLY 50 1HA GLY 50 -5.058 6.768 -10.482 360 HA3 GLY 50 2HA GLY 50 -4.044 6.825 -11.917 361 H GLY 51 H GLY 51 -5.734 4.810 -11.890 362 HA2 GLY 51 1HA GLY 51 -5.936 2.523 -11.960 363 HA3 GLY 51 2HA GLY 51 -4.190 2.525 -12.159 364 H ARG 52 H ARG 52 -2.869 2.070 -10.419 365 HA ARG 52 HA ARG 52 -4.262 1.184 -7.977 366 HB2 ARG 52 1HB ARG 52 -1.813 0.001 -9.298 367 HB3 ARG 52 2HB ARG 52 -2.439 -0.495 -7.731 368 HG2 ARG 52 1HG ARG 52 -4.174 -0.581 -10.166 369 HG3 ARG 52 2HG ARG 52 -3.038 -1.884 -9.810 370 HD2 ARG 52 1HD ARG 52 -4.121 -2.420 -7.794 371 HD3 ARG 52 2HD ARG 52 -5.012 -0.898 -7.773 372 HE ARG 52 HE ARG 52 -6.580 -1.825 -9.175 373 HH11 ARG 52 2HH1 ARG 52 -3.777 -3.885 -9.028 374 HH12 ARG 52 1HH1 ARG 52 -4.536 -5.198 -9.865 375 HH21 ARG 52 2HH2 ARG 52 -7.591 -3.547 -10.278 376 HH22 ARG 52 1HH2 ARG 52 -6.705 -5.004 -10.576 377 H TYR 53 H TYR 53 -3.396 3.805 -8.231 378 HA TYR 53 HA TYR 53 -1.533 3.953 -6.029 379 HB2 TYR 53 1HB TYR 53 -0.837 5.235 -8.679 380 HB3 TYR 53 2HB TYR 53 0.050 5.443 -7.174 381 HD1 TYR 53 1HD TYR 53 1.151 3.401 -6.138 382 HD2 TYR 53 2HD TYR 53 -0.368 3.434 -10.112 383 HE1 TYR 53 1HE TYR 53 2.534 1.440 -6.677 384 HE2 TYR 53 2HE TYR 53 1.010 1.473 -10.662 385 HH TYR 53 HH TYR 53 2.103 -0.394 -9.498 386 H SER 54 H SER 54 -2.262 5.462 -4.696 387 HA SER 54 HA SER 54 -3.719 7.760 -5.826 388 HB2 SER 54 1HB SER 54 -4.467 5.902 -3.624 389 HB3 SER 54 2HB SER 54 -4.867 7.607 -3.414 390 HG SER 54 HG SER 54 -6.413 7.370 -4.805 391 H LEU 55 H LEU 55 -2.596 9.554 -5.504 392 HA LEU 55 HA LEU 55 -1.043 9.817 -3.014 393 HB2 LEU 55 1HB LEU 55 -0.491 11.304 -5.564 394 HB3 LEU 55 2HB LEU 55 0.551 11.136 -4.153 395 HG LEU 55 HG LEU 55 0.573 8.619 -4.772 396 HD11 LEU 55 1HD1 LEU 55 0.375 9.290 -7.581 397 HD12 LEU 55 2HD1 LEU 55 -1.159 9.508 -6.740 398 HD13 LEU 55 3HD1 LEU 55 -0.339 7.948 -6.685 399 HD21 LEU 55 1HD2 LEU 55 2.662 9.223 -5.207 400 HD22 LEU 55 2HD2 LEU 55 2.151 10.872 -5.570 401 HD23 LEU 55 3HD2 LEU 55 2.167 9.652 -6.845 402 H LYS 56 H LYS 56 -2.313 10.965 -1.679 403 HA LYS 56 HA LYS 56 -3.764 13.285 -2.720 404 HB2 LYS 56 1HB LYS 56 -4.953 11.615 -1.297 405 HB3 LYS 56 2HB LYS 56 -3.887 12.044 0.034 406 HG2 LYS 56 1HG LYS 56 -4.822 14.163 0.264 407 HG3 LYS 56 2HG LYS 56 -5.543 14.121 -1.347 408 HD2 LYS 56 1HD LYS 56 -7.385 13.729 -0.023 409 HD3 LYS 56 2HD LYS 56 -6.864 12.080 -0.377 410 HE2 LYS 56 1HE LYS 56 -7.303 12.140 1.942 411 HE3 LYS 56 2HE LYS 56 -5.548 12.175 1.781 412 HZ1 LYS 56 1HZ LYS 56 -7.073 14.687 2.008 413 HZ2 LYS 56 2HZ LYS 56 -5.452 14.388 2.386 414 HZ3 LYS 56 3HZ LYS 56 -6.678 13.802 3.394 415 H GLN 57 H GLN 57 -2.845 15.215 -2.606 416 HA GLN 57 HA GLN 57 -0.606 15.660 -0.805 417 HB2 GLN 57 1HB GLN 57 -0.132 16.504 -2.925 418 HB3 GLN 57 2HB GLN 57 -1.759 17.136 -3.145 419 HG2 GLN 57 1HG GLN 57 -1.346 19.014 -1.863 420 HG3 GLN 57 2HG GLN 57 0.022 18.272 -1.035 421 HE21 GLN 57 1HE2 GLN 57 1.959 18.880 -1.671 422 HE22 GLN 57 2HE2 GLN 57 2.352 19.598 -3.192 423 H ASP 58 H ASP 58 -0.488 17.462 0.626 424 HA ASP 58 HA ASP 58 -2.867 18.972 1.229 425 HB2 ASP 58 1HB ASP 58 -1.883 16.805 3.078 426 HB3 ASP 58 2HB ASP 58 -2.815 18.179 3.668 427 H GLY 59 H GLY 59 -2.418 20.216 3.431 428 HA2 GLY 59 1HA GLY 59 -0.476 22.064 3.060 429 HA3 GLY 59 2HA GLY 59 -1.034 21.602 4.661 430 H THR 60 H THR 60 1.563 21.576 2.461 431 HA THR 60 HA THR 60 3.634 20.573 2.467 432 HB THR 60 HB THR 60 4.667 20.759 4.880 433 HG1 THR 60 1HG THR 60 3.092 22.745 5.604 434 HG21 THR 60 1HG2 THR 60 3.761 23.309 3.562 435 HG22 THR 60 2HG2 THR 60 4.991 22.265 2.848 436 HG23 THR 60 3HG2 THR 60 5.264 22.997 4.429 437 H ARG 61 H ARG 61 1.596 18.629 2.661 438 HA ARG 61 HA ARG 61 3.113 16.473 3.834 439 HB2 ARG 61 1HB ARG 61 0.591 17.482 5.045 440 HB3 ARG 61 2HB ARG 61 0.800 15.739 4.952 441 HG2 ARG 61 1HG ARG 61 2.882 15.903 6.197 442 HG3 ARG 61 2HG ARG 61 2.715 17.659 6.259 443 HD2 ARG 61 1HD ARG 61 1.986 16.663 8.350 444 HD3 ARG 61 2HD ARG 61 0.624 17.407 7.514 445 HE ARG 61 HE ARG 61 -0.346 15.344 7.342 446 HH11 ARG 61 2HH1 ARG 61 3.031 14.949 8.091 447 HH12 ARG 61 1HH1 ARG 61 2.911 13.238 8.333 448 HH21 ARG 61 2HH2 ARG 61 -0.517 13.092 7.657 449 HH22 ARG 61 1HH2 ARG 61 0.893 12.182 8.084 450 H CYS 62 H CYS 62 2.857 14.635 2.701 451 HA CYS 62 HA CYS 62 0.553 14.449 0.878 452 HB2 CYS 62 1HB CYS 62 3.416 13.687 0.263 453 HB3 CYS 62 2HB CYS 62 2.041 13.414 -0.800 454 HG CYS 62 HG CYS 62 3.641 16.313 -0.081 455 H GLU 63 H GLU 63 -0.264 12.385 0.480 456 HA GLU 63 HA GLU 63 0.830 10.230 2.162 457 HB2 GLU 63 1HB GLU 63 -1.140 11.083 3.276 458 HB3 GLU 63 2HB GLU 63 -2.073 10.981 1.789 459 HG2 GLU 63 1HG GLU 63 -1.974 8.585 1.823 460 HG3 GLU 63 2HG GLU 63 -0.884 8.610 3.208 461 H LEU 64 H LEU 64 1.534 8.667 0.878 462 HA LEU 64 HA LEU 64 0.272 8.253 -1.728 463 HB2 LEU 64 1HB LEU 64 2.599 8.424 -1.928 464 HB3 LEU 64 2HB LEU 64 2.881 7.405 -0.518 465 HG LEU 64 HG LEU 64 2.074 5.457 -1.821 466 HD11 LEU 64 1HD1 LEU 64 1.546 5.565 -4.078 467 HD12 LEU 64 2HD1 LEU 64 2.284 7.154 -4.278 468 HD13 LEU 64 3HD1 LEU 64 0.756 6.995 -3.414 469 HD21 LEU 64 1HD2 LEU 64 4.418 7.055 -2.807 470 HD22 LEU 64 2HD2 LEU 64 4.061 5.439 -3.415 471 HD23 LEU 64 3HD2 LEU 64 4.408 5.680 -1.702 472 H GLN 65 H GLN 65 -1.042 6.596 -2.124 473 HA GLN 65 HA GLN 65 -1.066 4.348 -0.219 474 HB2 GLN 65 1HB GLN 65 -3.343 5.841 -1.487 475 HB3 GLN 65 2HB GLN 65 -3.550 4.184 -0.935 476 HG2 GLN 65 1HG GLN 65 -3.408 4.747 1.265 477 HG3 GLN 65 2HG GLN 65 -2.372 6.140 0.957 478 HE21 GLN 65 1HE2 GLN 65 -5.057 5.596 2.361 479 HE22 GLN 65 2HE2 GLN 65 -6.059 6.889 1.806 480 H ILE 66 H ILE 66 -0.842 2.371 -1.057 481 HA ILE 66 HA ILE 66 -1.028 2.094 -3.986 482 HB ILE 66 HB ILE 66 0.627 0.318 -2.208 483 HG12 ILE 66 1HG1 ILE 66 1.797 2.576 -3.803 484 HG13 ILE 66 2HG1 ILE 66 1.211 2.858 -2.168 485 HG21 ILE 66 1HG2 ILE 66 0.735 -0.816 -4.128 486 HG22 ILE 66 2HG2 ILE 66 0.068 0.526 -5.056 487 HG23 ILE 66 3HG2 ILE 66 1.793 0.477 -4.692 488 HD11 ILE 66 1HD1 ILE 66 2.784 0.619 -1.897 489 HD12 ILE 66 2HD1 ILE 66 3.654 1.597 -3.079 490 HD13 ILE 66 3HD1 ILE 66 3.245 2.275 -1.504 491 H HIS 67 H HIS 67 -3.113 1.370 -4.169 492 HA HIS 67 HA HIS 67 -4.285 -0.576 -2.476 493 HB2 HIS 67 1HB HIS 67 -5.121 0.041 -5.311 494 HB3 HIS 67 2HB HIS 67 -6.125 -0.578 -4.003 495 HD1 HIS 67 1HD HIS 67 -6.902 1.126 -2.198 496 HD2 HIS 67 2HD HIS 67 -4.751 2.800 -5.333 497 HE1 HIS 67 1HE HIS 67 -7.268 3.607 -2.015 498 HE2 HIS 67 2HE HIS 67 -6.027 4.592 -3.973 499 H ASP 68 H ASP 68 -4.442 -2.759 -2.643 500 HA ASP 68 HA ASP 68 -4.108 -4.890 -3.400 501 HB2 ASP 68 1HB ASP 68 -4.712 -3.749 -5.671 502 HB3 ASP 68 2HB ASP 68 -2.985 -3.880 -5.992 503 H LEU 69 H LEU 69 -2.281 -3.933 -1.742 504 HA LEU 69 HA LEU 69 0.364 -3.733 -2.572 505 HB2 LEU 69 1HB LEU 69 -0.993 -4.474 -0.037 506 HB3 LEU 69 2HB LEU 69 0.729 -4.824 -0.177 507 HG LEU 69 HG LEU 69 -0.472 -2.085 -0.566 508 HD11 LEU 69 1HD1 LEU 69 0.516 -3.495 1.871 509 HD12 LEU 69 2HD1 LEU 69 -0.868 -2.420 1.676 510 HD13 LEU 69 3HD1 LEU 69 0.766 -1.757 1.704 511 HD21 LEU 69 1HD2 LEU 69 1.567 -1.421 -1.152 512 HD22 LEU 69 2HD2 LEU 69 2.013 -3.123 -1.273 513 HD23 LEU 69 3HD2 LEU 69 2.299 -2.240 0.228 514 H SER 70 H SER 70 2.124 -5.321 -2.162 515 HA SER 70 HA SER 70 1.603 -8.101 -2.062 516 HB2 SER 70 1HB SER 70 0.888 -7.264 -4.472 517 HB3 SER 70 2HB SER 70 2.624 -7.354 -4.771 518 HG SER 70 HG SER 70 2.298 -9.404 -5.039 519 H VAL 71 H VAL 71 3.539 -9.381 -2.194 520 HA VAL 71 HA VAL 71 5.748 -8.308 -0.949 521 HB VAL 71 HB VAL 71 7.010 -10.309 -1.920 522 HG11 VAL 71 1HG1 VAL 71 6.234 -11.580 -0.214 523 HG12 VAL 71 2HG1 VAL 71 5.406 -10.082 0.214 524 HG13 VAL 71 3HG1 VAL 71 4.545 -11.348 -0.663 525 HG21 VAL 71 1HG2 VAL 71 4.500 -11.591 -2.685 526 HG22 VAL 71 2HG2 VAL 71 4.990 -10.292 -3.773 527 HG23 VAL 71 3HG2 VAL 71 6.082 -11.642 -3.463 528 H ALA 72 H ALA 72 4.995 -8.414 -4.361 529 HA ALA 72 HA ALA 72 7.576 -7.784 -5.341 530 HB1 ALA 72 1HB ALA 72 5.828 -6.767 -7.208 531 HB2 ALA 72 2HB ALA 72 6.444 -8.419 -7.155 532 HB3 ALA 72 3HB ALA 72 4.886 -8.035 -6.422 533 H ASP 73 H ASP 73 4.908 -5.844 -4.158 534 HA ASP 73 HA ASP 73 5.989 -3.347 -5.068 535 HB2 ASP 73 1HB ASP 73 3.749 -4.097 -3.199 536 HB3 ASP 73 2HB ASP 73 4.242 -2.420 -3.422 537 H ALA 74 H ALA 74 6.701 -5.434 -2.513 538 HA ALA 74 HA ALA 74 7.471 -3.508 -0.551 539 HB1 ALA 74 1HB ALA 74 8.842 -6.065 -0.370 540 HB2 ALA 74 2HB ALA 74 7.742 -5.286 0.768 541 HB3 ALA 74 3HB ALA 74 7.098 -6.238 -0.570 542 H GLY 75 H GLY 75 8.942 -2.028 -1.230 543 HA2 GLY 75 1HA GLY 75 11.650 -2.967 -1.649 544 HA3 GLY 75 2HA GLY 75 10.941 -2.145 -3.031 545 H GLU 76 H GLU 76 11.514 -0.091 -3.168 546 HA GLU 76 HA GLU 76 11.590 1.531 -0.731 547 HB2 GLU 76 1HB GLU 76 13.875 1.109 -0.904 548 HB3 GLU 76 2HB GLU 76 13.842 1.106 -2.662 549 HG2 GLU 76 1HG GLU 76 13.175 3.636 -1.266 550 HG3 GLU 76 2HG GLU 76 14.858 3.111 -1.279 551 H TYR 77 H TYR 77 10.820 3.561 -0.981 552 HA TYR 77 HA TYR 77 10.133 4.404 -3.721 553 HB2 TYR 77 1HB TYR 77 8.602 4.905 -1.160 554 HB3 TYR 77 2HB TYR 77 8.180 5.569 -2.735 555 HD1 TYR 77 1HD TYR 77 8.468 2.437 -0.791 556 HD2 TYR 77 2HD TYR 77 6.990 4.276 -4.331 557 HE1 TYR 77 1HE TYR 77 7.140 0.424 -1.275 558 HE2 TYR 77 2HE TYR 77 5.657 2.269 -4.825 559 HH TYR 77 HH TYR 77 6.000 -0.403 -4.052 560 H SER 78 H SER 78 10.872 6.321 -4.377 561 HA SER 78 HA SER 78 11.992 8.141 -2.345 562 HB2 SER 78 1HB SER 78 12.969 7.820 -5.191 563 HB3 SER 78 2HB SER 78 13.714 8.780 -3.913 564 HG SER 78 HG SER 78 13.683 6.533 -2.817 565 H CYS 79 H CYS 79 11.530 10.294 -2.490 566 HA CYS 79 HA CYS 79 9.738 11.123 -4.676 567 HB2 CYS 79 1HB CYS 79 8.691 10.774 -2.339 568 HB3 CYS 79 2HB CYS 79 9.545 12.246 -1.892 569 HG CYS 79 HG CYS 79 8.108 13.126 -4.573 570 H MET 80 H MET 80 10.568 12.701 -5.861 571 HA MET 80 HA MET 80 12.715 14.345 -4.739 572 HB2 MET 80 1HB MET 80 11.825 14.213 -7.619 573 HB3 MET 80 2HB MET 80 13.335 14.861 -6.992 574 HG2 MET 80 1HG MET 80 14.109 12.681 -6.406 575 HG3 MET 80 2HG MET 80 12.542 11.970 -6.783 576 HE1 MET 80 1HE MET 80 13.588 10.173 -8.151 577 HE2 MET 80 2HE MET 80 14.471 10.379 -9.663 578 HE3 MET 80 3HE MET 80 15.266 10.715 -8.125 579 H CYS 81 H CYS 81 12.477 16.458 -4.327 580 HA CYS 81 HA CYS 81 10.124 17.846 -5.408 581 HB2 CYS 81 1HB CYS 81 9.548 17.236 -3.138 582 HB3 CYS 81 2HB CYS 81 11.072 17.877 -2.538 583 HG CYS 81 HG CYS 81 8.414 19.654 -3.739 584 H GLY 82 H GLY 82 11.268 19.055 -6.871 585 HA2 GLY 82 1HA GLY 82 12.384 20.965 -7.533 586 HA3 GLY 82 2HA GLY 82 12.650 21.343 -5.838 587 H GLN 83 H GLN 83 14.486 20.490 -4.775 588 HA GLN 83 HA GLN 83 16.561 19.462 -6.596 589 HB2 GLN 83 1HB GLN 83 17.005 21.800 -6.032 590 HB3 GLN 83 2HB GLN 83 16.909 21.418 -4.318 591 HG2 GLN 83 1HG GLN 83 18.814 19.705 -4.959 592 HG3 GLN 83 2HG GLN 83 19.065 20.854 -6.273 593 HE21 GLN 83 1HE2 GLN 83 19.566 20.174 -2.989 594 HE22 GLN 83 2HE2 GLN 83 20.313 21.667 -2.545 595 H GLU 84 H GLU 84 15.259 19.507 -3.327 596 HA GLU 84 HA GLU 84 17.113 17.637 -2.248 597 HB2 GLU 84 1HB GLU 84 14.441 18.685 -1.355 598 HB3 GLU 84 2HB GLU 84 15.242 17.389 -0.477 599 HG2 GLU 84 1HG GLU 84 16.068 20.239 -0.803 600 HG3 GLU 84 2HG GLU 84 15.893 19.285 0.669 601 H ARG 85 H ARG 85 16.345 15.510 -1.310 602 HA ARG 85 HA ARG 85 14.256 14.155 -2.782 603 HB2 ARG 85 1HB ARG 85 16.157 13.992 -4.329 604 HB3 ARG 85 2HB ARG 85 17.138 13.282 -3.054 605 HG2 ARG 85 1HG ARG 85 15.808 11.311 -3.017 606 HG3 ARG 85 2HG ARG 85 14.598 12.040 -4.075 607 HD2 ARG 85 1HD ARG 85 15.876 10.606 -5.446 608 HD3 ARG 85 2HD ARG 85 16.428 12.240 -5.809 609 HE ARG 85 HE ARG 85 18.496 11.637 -5.069 610 HH11 ARG 85 2HH1 ARG 85 16.156 9.443 -3.718 611 HH12 ARG 85 1HH1 ARG 85 17.345 8.424 -2.978 612 HH21 ARG 85 2HH2 ARG 85 20.072 10.303 -4.099 613 HH22 ARG 85 1HH2 ARG 85 19.572 8.914 -3.194 614 H THR 86 H THR 86 13.669 12.147 -1.870 615 HA THR 86 HA THR 86 15.060 11.305 0.556 616 HB THR 86 HB THR 86 13.198 12.971 1.132 617 HG1 THR 86 1HG THR 86 13.090 10.343 2.240 618 HG21 THR 86 1HG2 THR 86 10.940 12.158 1.152 619 HG22 THR 86 2HG2 THR 86 11.451 10.579 0.553 620 HG23 THR 86 3HG2 THR 86 11.563 11.997 -0.490 621 H SER 87 H SER 87 14.317 9.200 1.349 622 HA SER 87 HA SER 87 12.846 7.604 -0.619 623 HB2 SER 87 1HB SER 87 15.336 7.410 -1.023 624 HB3 SER 87 2HB SER 87 15.462 6.664 0.569 625 HG SER 87 HG SER 87 14.433 4.914 -0.145 626 H ALA 88 H ALA 88 12.075 5.558 0.227 627 HA ALA 88 HA ALA 88 12.209 5.138 3.092 628 HB1 ALA 88 1HB ALA 88 9.644 5.908 1.717 629 HB2 ALA 88 2HB ALA 88 9.704 5.119 3.294 630 HB3 ALA 88 3HB ALA 88 10.430 6.712 3.077 631 H THR 89 H THR 89 12.310 3.026 3.463 632 HA THR 89 HA THR 89 11.692 1.167 1.320 633 HB THR 89 HB THR 89 12.917 0.701 4.045 634 HG1 THR 89 1HG THR 89 14.248 0.400 1.579 635 HG21 THR 89 1HG2 THR 89 13.575 -1.512 3.019 636 HG22 THR 89 2HG2 THR 89 12.409 -1.173 1.740 637 HG23 THR 89 3HG2 THR 89 11.865 -1.334 3.410 638 H LEU 90 H LEU 90 9.737 0.312 1.128 639 HA LEU 90 HA LEU 90 7.885 0.320 3.351 640 HB2 LEU 90 1HB LEU 90 6.932 0.930 1.290 641 HB3 LEU 90 2HB LEU 90 7.678 -0.429 0.452 642 HG LEU 90 HG LEU 90 6.116 -1.797 2.125 643 HD11 LEU 90 1HD1 LEU 90 4.772 -0.440 3.276 644 HD12 LEU 90 2HD1 LEU 90 3.906 -0.210 1.757 645 HD13 LEU 90 3HD1 LEU 90 5.144 0.945 2.250 646 HD21 LEU 90 1HD2 LEU 90 6.111 -2.044 -0.277 647 HD22 LEU 90 2HD2 LEU 90 5.253 -0.514 -0.465 648 HD23 LEU 90 3HD2 LEU 90 4.452 -1.886 0.302 649 H THR 91 H THR 91 6.964 -1.477 4.318 650 HA THR 91 HA THR 91 8.409 -4.007 3.877 651 HB THR 91 HB THR 91 6.984 -3.215 6.418 652 HG1 THR 91 1HG THR 91 9.070 -2.666 7.191 653 HG21 THR 91 1HG2 THR 91 7.568 -5.665 5.786 654 HG22 THR 91 2HG2 THR 91 7.982 -5.074 7.396 655 HG23 THR 91 3HG2 THR 91 9.225 -5.186 6.151 656 H VAL 92 H VAL 92 7.267 -5.628 3.062 657 HA VAL 92 HA VAL 92 4.340 -5.611 3.427 658 HB VAL 92 HB VAL 92 5.815 -6.791 1.072 659 HG11 VAL 92 1HG1 VAL 92 3.440 -7.560 1.892 660 HG12 VAL 92 2HG1 VAL 92 2.922 -6.080 1.084 661 HG13 VAL 92 3HG1 VAL 92 3.774 -7.330 0.176 662 HG21 VAL 92 1HG2 VAL 92 5.889 -4.229 1.366 663 HG22 VAL 92 2HG2 VAL 92 5.371 -4.884 -0.187 664 HG23 VAL 92 3HG2 VAL 92 4.173 -4.286 0.961 665 H ARG 93 H ARG 93 3.404 -7.407 4.218 666 HA ARG 93 HA ARG 93 5.165 -9.673 4.841 667 HB2 ARG 93 1HB ARG 93 2.787 -8.467 6.157 668 HB3 ARG 93 2HB ARG 93 2.998 -10.205 6.311 669 HG2 ARG 93 1HG ARG 93 4.067 -9.390 8.187 670 HG3 ARG 93 2HG ARG 93 5.400 -9.615 7.052 671 HD2 ARG 93 1HD ARG 93 4.801 -7.111 6.430 672 HD3 ARG 93 2HD ARG 93 4.166 -7.111 8.074 673 HE ARG 93 HE ARG 93 6.890 -7.010 7.322 674 HH11 ARG 93 2HH1 ARG 93 4.754 -8.403 9.692 675 HH12 ARG 93 1HH1 ARG 93 5.971 -8.502 10.922 676 HH21 ARG 93 2HH2 ARG 93 8.501 -7.136 8.932 677 HH22 ARG 93 1HH2 ARG 93 8.101 -7.780 10.488 678 H ALA 94 H ALA 94 4.920 -11.542 3.812 679 HA ALA 94 HA ALA 94 2.901 -11.864 1.812 680 HB1 ALA 94 1HB ALA 94 4.015 -14.319 1.986 681 HB2 ALA 94 2HB ALA 94 4.710 -12.980 1.071 682 HB3 ALA 94 3HB ALA 94 5.292 -13.332 2.698 683 H LEU 95 H LEU 95 1.080 -13.088 1.831 684 HA LEU 95 HA LEU 95 -0.388 -13.510 4.079 685 HB2 LEU 95 1HB LEU 95 -0.387 -15.065 1.504 686 HB3 LEU 95 2HB LEU 95 -1.598 -15.296 2.763 687 HG LEU 95 HG LEU 95 -1.240 -13.041 0.855 688 HD11 LEU 95 1HD1 LEU 95 -3.477 -14.730 1.904 689 HD12 LEU 95 2HD1 LEU 95 -2.956 -14.475 0.239 690 HD13 LEU 95 3HD1 LEU 95 -3.803 -13.192 1.103 691 HD21 LEU 95 1HD2 LEU 95 -1.076 -11.791 2.843 692 HD22 LEU 95 2HD2 LEU 95 -2.278 -12.786 3.665 693 HD23 LEU 95 3HD2 LEU 95 -2.772 -11.696 2.369 694 HA PRO 96 HA PRO 96 1.225 -16.927 6.314 695 HB2 PRO 96 1HB PRO 96 -1.046 -18.035 7.304 696 HB3 PRO 96 2HB PRO 96 -0.388 -16.505 7.895 697 HG2 PRO 96 1HG PRO 96 -2.609 -16.986 5.946 698 HG3 PRO 96 2HG PRO 96 -2.522 -15.817 7.276 699 HD2 PRO 96 1HD PRO 96 -2.081 -15.123 4.697 700 HD3 PRO 96 2HD PRO 96 -1.256 -14.329 6.053 701 H ALA 97 H ALA 97 1.654 -19.106 6.146 702 HA ALA 97 HA ALA 97 0.742 -20.392 3.714 703 HB1 ALA 97 1HB ALA 97 2.787 -21.172 5.782 704 HB2 ALA 97 2HB ALA 97 2.390 -22.161 4.376 705 HB3 ALA 97 3HB ALA 97 3.077 -20.551 4.157 706 H ARG 98 H ARG 98 0.307 -20.698 7.172 707 HA ARG 98 HA ARG 98 -1.578 -22.911 6.685 708 HB2 ARG 98 1HB ARG 98 0.375 -23.713 7.911 709 HB3 ARG 98 2HB ARG 98 0.162 -22.448 9.113 710 HG2 ARG 98 1HG ARG 98 -2.166 -23.502 9.476 711 HG3 ARG 98 2HG ARG 98 -1.480 -24.900 8.646 712 HD2 ARG 98 1HD ARG 98 0.023 -23.649 10.900 713 HD3 ARG 98 2HD ARG 98 -1.350 -24.697 11.254 714 HE ARG 98 HE ARG 98 0.513 -25.872 9.422 715 HH11 ARG 98 2HH1 ARG 98 -0.190 -25.306 12.784 716 HH12 ARG 98 1HH1 ARG 98 0.725 -26.669 13.339 717 HH21 ARG 98 2HH2 ARG 98 1.720 -27.669 10.140 718 HH22 ARG 98 1HH2 ARG 98 1.812 -28.012 11.834 719 H PHE 99 H PHE 99 -3.593 -22.723 7.511 720 HA PHE 99 HA PHE 99 -4.241 -20.186 8.827 721 HB2 PHE 99 1HB PHE 99 -5.780 -22.113 7.135 722 HB3 PHE 99 2HB PHE 99 -6.656 -21.091 8.270 723 HD1 PHE 99 2HD PHE 99 -5.462 -18.542 8.174 724 HD2 PHE 99 1HD PHE 99 -5.971 -21.327 4.996 725 HE1 PHE 99 2HE PHE 99 -5.410 -16.694 6.551 726 HE2 PHE 99 1HE PHE 99 -5.919 -19.483 3.368 727 HZ PHE 99 HZ PHE 99 -5.639 -17.163 4.144 728 H THR 100 H THR 100 -6.256 -20.413 10.325 729 HA THR 100 HA THR 100 -5.465 -21.839 12.604 730 HB THR 100 HB THR 100 -7.762 -21.327 13.476 731 HG1 THR 100 1HG THR 100 -8.166 -19.837 11.107 732 HG21 THR 100 1HG2 THR 100 -7.388 -18.985 13.678 733 HG22 THR 100 2HG2 THR 100 -6.476 -18.935 12.169 734 HG23 THR 100 3HG2 THR 100 -5.799 -19.744 13.582 735 H GLU 101 H GLU 101 -5.270 -24.009 12.492 736 HA GLU 101 HA GLU 101 -7.616 -25.540 11.576 737 HB2 GLU 101 1HB GLU 101 -5.588 -25.894 10.212 738 HB3 GLU 101 2HB GLU 101 -4.723 -26.416 11.651 739 HG2 GLU 101 1HG GLU 101 -6.516 -28.213 11.871 740 HG3 GLU 101 2HG GLU 101 -6.965 -27.794 10.219 741 H GLY 102 H GLY 102 -8.193 -27.434 12.753 742 HA2 GLY 102 1HA GLY 102 -7.601 -27.176 15.605 743 HA3 GLY 102 2HA GLY 102 -8.912 -28.108 14.897 744 H SER 103 H SER 103 -7.476 -29.254 16.871 745 HA SER 103 HA SER 103 -5.940 -31.302 15.422 746 HB2 SER 103 1HB SER 103 -4.289 -29.963 16.551 747 HB3 SER 103 2HB SER 103 -5.211 -29.999 18.053 748 HG SER 103 HG SER 103 -4.154 -31.744 18.507 749 H GLY 104 H GLY 104 -7.236 -30.654 18.690 750 HA2 GLY 104 1HA GLY 104 -9.103 -31.889 19.575 751 HA3 GLY 104 2HA GLY 104 -8.656 -33.230 18.531 752 HA PRO 105 HA PRO 105 -6.911 -33.657 22.929 753 HB2 PRO 105 1HB PRO 105 -8.555 -35.638 23.793 754 HB3 PRO 105 2HB PRO 105 -8.919 -33.922 24.014 755 HG2 PRO 105 1HG PRO 105 -9.939 -35.823 21.938 756 HG3 PRO 105 2HG PRO 105 -10.824 -34.597 22.863 757 HD2 PRO 105 1HD PRO 105 -10.017 -34.195 20.310 758 HD3 PRO 105 2HD PRO 105 -10.123 -32.879 21.496 759 H SER 106 H SER 106 -5.799 -35.550 23.753 760 HA SER 106 HA SER 106 -4.408 -36.988 21.853 761 HB2 SER 106 1HB SER 106 -4.965 -37.822 24.710 762 HB3 SER 106 2HB SER 106 -3.664 -38.438 23.692 763 HG SER 106 HG SER 106 -2.652 -36.508 23.791 764 H SER 107 H SER 107 -4.361 -39.377 21.557 765 HA SER 107 HA SER 107 -6.904 -40.282 20.649 766 HB2 SER 107 1HB SER 107 -4.229 -41.678 20.863 767 HB3 SER 107 2HB SER 107 -5.655 -42.402 20.119 768 HG SER 107 HG SER 107 -3.935 -40.981 18.886 769 H GLY 108 H GLY 108 -8.142 -42.037 21.371 770 HA2 GLY 108 1HA GLY 108 -7.441 -43.295 23.904 771 HA3 GLY 108 2HA GLY 108 -8.873 -42.276 23.919 Start of MODEL 15 1 H1 GLY 1 H GLY 1 21.825 34.373 7.153 2 HA2 GLY 1 1HA GLY 1 22.772 36.611 7.767 3 HA3 GLY 1 2HA GLY 1 23.778 36.436 6.338 4 H SER 2 H SER 2 23.053 37.247 4.474 5 HA SER 2 HA SER 2 20.690 38.785 4.393 6 HB2 SER 2 1HB SER 2 22.820 39.053 2.982 7 HB3 SER 2 2HB SER 2 22.147 37.794 1.946 8 HG SER 2 HG SER 2 20.743 39.173 1.185 9 H SER 3 H SER 3 18.897 37.546 4.865 10 HA SER 3 HA SER 3 18.302 35.070 3.623 11 HB2 SER 3 1HB SER 3 16.435 37.038 4.971 12 HB3 SER 3 2HB SER 3 16.054 35.359 4.587 13 HG SER 3 HG SER 3 18.159 35.052 5.910 14 H GLY 4 H GLY 4 16.961 34.564 1.915 15 HA2 GLY 4 1HA GLY 4 15.152 35.958 0.516 16 HA3 GLY 4 2HA GLY 4 16.651 36.666 -0.066 17 H SER 5 H SER 5 18.327 34.561 -0.292 18 HA SER 5 HA SER 5 17.551 33.386 -2.714 19 HB2 SER 5 1HB SER 5 19.905 33.674 -2.047 20 HB3 SER 5 2HB SER 5 19.695 32.463 -0.783 21 HG SER 5 HG SER 5 20.186 32.119 -3.418 22 H SER 6 H SER 6 15.817 32.100 -2.845 23 HA SER 6 HA SER 6 15.881 29.487 -1.754 24 HB2 SER 6 1HB SER 6 15.193 30.741 0.286 25 HB3 SER 6 2HB SER 6 13.769 31.313 -0.582 26 HG SER 6 HG SER 6 14.269 28.561 -0.488 27 H GLY 7 H GLY 7 15.150 28.407 -3.458 28 HA2 GLY 7 1HA GLY 7 12.884 29.541 -4.971 29 HA3 GLY 7 2HA GLY 7 14.104 28.474 -5.650 30 HA PRO 8 HA PRO 8 11.396 25.082 -5.021 31 HB2 PRO 8 1HB PRO 8 13.194 23.059 -4.811 32 HB3 PRO 8 2HB PRO 8 12.830 23.865 -6.341 33 HG2 PRO 8 1HG PRO 8 15.127 24.299 -4.472 34 HG3 PRO 8 2HG PRO 8 15.128 24.203 -6.243 35 HD2 PRO 8 1HD PRO 8 15.217 26.560 -4.912 36 HD3 PRO 8 2HD PRO 8 14.417 26.382 -6.487 37 H ALA 9 H ALA 9 10.740 23.473 -3.480 38 HA ALA 9 HA ALA 9 11.376 24.234 -0.758 39 HB1 ALA 9 1HB ALA 9 9.078 23.379 -1.997 40 HB2 ALA 9 2HB ALA 9 9.586 21.959 -1.081 41 HB3 ALA 9 3HB ALA 9 9.330 23.496 -0.255 42 H ARG 10 H ARG 10 11.984 22.715 0.883 43 HA ARG 10 HA ARG 10 13.416 20.357 -0.150 44 HB2 ARG 10 1HB ARG 10 15.160 20.739 1.526 45 HB3 ARG 10 2HB ARG 10 15.012 22.116 0.441 46 HG2 ARG 10 1HG ARG 10 14.217 23.495 2.070 47 HG3 ARG 10 2HG ARG 10 13.480 22.176 2.982 48 HD2 ARG 10 1HD ARG 10 15.670 21.442 3.732 49 HD3 ARG 10 2HD ARG 10 16.443 22.697 2.764 50 HE ARG 10 HE ARG 10 14.550 23.729 4.656 51 HH11 ARG 10 2HH1 ARG 10 17.835 22.669 4.203 52 HH12 ARG 10 1HH1 ARG 10 18.458 23.609 5.518 53 HH21 ARG 10 2HH2 ARG 10 15.358 24.972 6.390 54 HH22 ARG 10 1HH2 ARG 10 17.048 24.918 6.761 55 H PHE 11 H PHE 11 13.292 18.491 1.037 56 HA PHE 11 HA PHE 11 11.042 18.068 2.637 57 HB2 PHE 11 1HB PHE 11 13.552 16.480 2.170 58 HB3 PHE 11 2HB PHE 11 12.325 15.919 3.301 59 HD1 PHE 11 1HD PHE 11 9.998 15.503 2.455 60 HD2 PHE 11 2HD PHE 11 13.300 16.186 -0.141 61 HE1 PHE 11 1HE PHE 11 8.735 14.508 0.593 62 HE2 PHE 11 2HE PHE 11 12.043 15.193 -2.008 63 HZ PHE 11 HZ PHE 11 9.757 14.352 -1.642 64 H THR 12 H THR 12 10.685 18.013 4.806 65 HA THR 12 HA THR 12 12.878 18.984 6.518 66 HB THR 12 HB THR 12 11.170 19.945 7.993 67 HG1 THR 12 1HG THR 12 8.977 20.031 6.814 68 HG21 THR 12 1HG2 THR 12 12.125 21.239 6.058 69 HG22 THR 12 2HG2 THR 12 10.554 21.803 6.625 70 HG23 THR 12 3HG2 THR 12 10.665 20.835 5.156 71 H GLN 13 H GLN 13 10.471 16.543 6.048 72 HA GLN 13 HA GLN 13 11.438 15.176 8.465 73 HB2 GLN 13 1HB GLN 13 8.642 15.761 7.641 74 HB3 GLN 13 2HB GLN 13 8.957 14.188 8.361 75 HG2 GLN 13 1HG GLN 13 9.629 16.840 9.616 76 HG3 GLN 13 2HG GLN 13 8.223 15.850 10.004 77 HE21 GLN 13 1HE2 GLN 13 10.720 16.766 11.487 78 HE22 GLN 13 2HE2 GLN 13 11.313 15.320 12.223 79 H ASP 14 H ASP 14 12.539 13.463 7.793 80 HA ASP 14 HA ASP 14 12.694 12.302 5.367 81 HB2 ASP 14 1HB ASP 14 13.209 10.125 6.589 82 HB3 ASP 14 2HB ASP 14 14.169 11.528 7.049 83 H LEU 15 H LEU 15 11.661 10.725 4.178 84 HA LEU 15 HA LEU 15 8.896 10.600 4.247 85 HB2 LEU 15 1HB LEU 15 10.697 9.858 2.460 86 HB3 LEU 15 2HB LEU 15 10.404 8.273 3.171 87 HG LEU 15 HG LEU 15 8.272 10.026 1.954 88 HD11 LEU 15 1HD1 LEU 15 10.245 8.731 0.581 89 HD12 LEU 15 2HD1 LEU 15 8.645 9.113 -0.052 90 HD13 LEU 15 3HD1 LEU 15 8.965 7.518 0.626 91 HD21 LEU 15 1HD2 LEU 15 8.271 7.487 3.436 92 HD22 LEU 15 2HD2 LEU 15 7.325 7.490 1.947 93 HD23 LEU 15 3HD2 LEU 15 6.986 8.674 3.210 94 H LYS 16 H LYS 16 7.397 9.167 5.040 95 HA LYS 16 HA LYS 16 8.387 7.309 7.096 96 HB2 LYS 16 1HB LYS 16 6.969 9.094 7.974 97 HB3 LYS 16 2HB LYS 16 5.696 8.665 6.839 98 HG2 LYS 16 1HG LYS 16 6.678 6.560 8.687 99 HG3 LYS 16 2HG LYS 16 5.667 7.848 9.347 100 HD2 LYS 16 1HD LYS 16 4.895 6.257 6.912 101 HD3 LYS 16 2HD LYS 16 4.461 5.765 8.550 102 HE2 LYS 16 1HE LYS 16 3.839 8.533 7.607 103 HE3 LYS 16 2HE LYS 16 2.801 7.189 7.130 104 HZ1 LYS 16 1HZ LYS 16 3.502 7.721 9.957 105 HZ2 LYS 16 2HZ LYS 16 2.260 6.743 9.355 106 HZ3 LYS 16 3HZ LYS 16 2.155 8.426 9.213 107 H THR 17 H THR 17 7.229 5.294 7.384 108 HA THR 17 HA THR 17 5.378 4.351 5.435 109 HB THR 17 HB THR 17 7.314 4.242 3.988 110 HG1 THR 17 1HG THR 17 6.881 2.236 3.347 111 HG21 THR 17 1HG2 THR 17 9.322 3.083 4.521 112 HG22 THR 17 2HG2 THR 17 8.626 2.419 5.999 113 HG23 THR 17 3HG2 THR 17 8.978 4.143 5.887 114 H LYS 18 H LYS 18 4.890 2.021 5.729 115 HA LYS 18 HA LYS 18 5.744 0.964 8.329 116 HB2 LYS 18 1HB LYS 18 3.618 0.721 9.172 117 HB3 LYS 18 2HB LYS 18 3.432 2.221 8.272 118 HG2 LYS 18 1HG LYS 18 2.662 -0.519 7.285 119 HG3 LYS 18 2HG LYS 18 1.554 0.699 7.920 120 HD2 LYS 18 1HD LYS 18 2.754 2.166 6.038 121 HD3 LYS 18 2HD LYS 18 2.954 0.571 5.310 122 HE2 LYS 18 1HE LYS 18 0.329 1.703 6.270 123 HE3 LYS 18 2HE LYS 18 0.884 1.745 4.597 124 HZ1 LYS 18 1HZ LYS 18 0.139 -0.608 6.224 125 HZ2 LYS 18 2HZ LYS 18 1.078 -0.765 4.826 126 HZ3 LYS 18 3HZ LYS 18 -0.484 -0.121 4.728 127 H GLU 19 H GLU 19 4.414 -1.325 8.505 128 HA GLU 19 HA GLU 19 5.020 -2.736 5.990 129 HB2 GLU 19 1HB GLU 19 5.879 -4.568 7.192 130 HB3 GLU 19 2HB GLU 19 6.559 -3.152 7.983 131 HG2 GLU 19 1HG GLU 19 4.494 -3.388 9.554 132 HG3 GLU 19 2HG GLU 19 4.472 -5.044 8.952 133 H ALA 20 H ALA 20 3.166 -3.275 5.044 134 HA ALA 20 HA ALA 20 0.949 -4.229 6.734 135 HB1 ALA 20 1HB ALA 20 1.011 -2.669 4.195 136 HB2 ALA 20 2HB ALA 20 -0.371 -3.712 4.532 137 HB3 ALA 20 3HB ALA 20 0.049 -2.416 5.651 138 H SER 21 H SER 21 -0.524 -5.805 5.553 139 HA SER 21 HA SER 21 1.144 -7.948 4.505 140 HB2 SER 21 1HB SER 21 -0.796 -9.381 4.868 141 HB3 SER 21 2HB SER 21 -0.488 -8.418 6.313 142 HG SER 21 HG SER 21 -2.228 -7.342 4.430 143 H GLU 22 H GLU 22 0.113 -9.328 2.733 144 HA GLU 22 HA GLU 22 -0.033 -7.832 0.375 145 HB2 GLU 22 1HB GLU 22 -0.543 -10.670 1.112 146 HB3 GLU 22 2HB GLU 22 -1.154 -10.113 -0.439 147 HG2 GLU 22 1HG GLU 22 1.080 -9.427 -1.097 148 HG3 GLU 22 2HG GLU 22 1.708 -9.925 0.473 149 H GLY 23 H GLY 23 -1.710 -7.183 -0.938 150 HA2 GLY 23 1HA GLY 23 -3.904 -6.784 -1.589 151 HA3 GLY 23 2HA GLY 23 -4.452 -7.793 -0.258 152 H ALA 24 H ALA 24 -2.662 -6.107 1.553 153 HA ALA 24 HA ALA 24 -4.675 -4.368 2.490 154 HB1 ALA 24 1HB ALA 24 -1.782 -4.007 3.171 155 HB2 ALA 24 2HB ALA 24 -3.204 -3.785 4.191 156 HB3 ALA 24 3HB ALA 24 -2.680 -5.411 3.750 157 H THR 25 H THR 25 -3.655 -1.971 3.074 158 HA THR 25 HA THR 25 -2.956 -0.771 0.474 159 HB THR 25 HB THR 25 -4.821 0.434 2.528 160 HG1 THR 25 1HG THR 25 -6.436 -0.324 1.331 161 HG21 THR 25 1HG2 THR 25 -5.302 1.997 0.575 162 HG22 THR 25 2HG2 THR 25 -3.829 1.362 -0.158 163 HG23 THR 25 3HG2 THR 25 -3.752 2.204 1.390 164 H ALA 26 H ALA 26 -0.966 0.024 0.623 165 HA ALA 26 HA ALA 26 0.352 0.624 3.042 166 HB1 ALA 26 1HB ALA 26 2.100 0.534 1.681 167 HB2 ALA 26 2HB ALA 26 1.021 0.497 0.286 168 HB3 ALA 26 3HB ALA 26 1.591 2.041 0.919 169 H THR 27 H THR 27 1.495 2.890 3.218 170 HA THR 27 HA THR 27 -0.002 5.181 2.437 171 HB THR 27 HB THR 27 -0.298 4.247 5.296 172 HG1 THR 27 1HG THR 27 -2.293 5.005 3.412 173 HG21 THR 27 1HG2 THR 27 -1.724 6.473 5.303 174 HG22 THR 27 2HG2 THR 27 -0.566 6.943 4.059 175 HG23 THR 27 3HG2 THR 27 0.001 6.491 5.666 176 H LEU 28 H LEU 28 1.725 6.400 1.994 177 HA LEU 28 HA LEU 28 3.834 6.622 4.039 178 HB2 LEU 28 1HB LEU 28 4.026 7.124 1.073 179 HB3 LEU 28 2HB LEU 28 5.342 7.282 2.234 180 HG LEU 28 HG LEU 28 4.706 4.721 2.667 181 HD11 LEU 28 1HD1 LEU 28 3.344 3.859 1.148 182 HD12 LEU 28 2HD1 LEU 28 4.525 4.247 -0.102 183 HD13 LEU 28 3HD1 LEU 28 3.258 5.405 0.302 184 HD21 LEU 28 1HD2 LEU 28 6.921 5.483 2.144 185 HD22 LEU 28 2HD2 LEU 28 6.461 5.815 0.474 186 HD23 LEU 28 3HD2 LEU 28 6.514 4.152 1.060 187 H GLN 29 H GLN 29 3.994 8.505 5.052 188 HA GLN 29 HA GLN 29 2.815 10.885 3.778 189 HB2 GLN 29 1HB GLN 29 2.819 9.936 6.615 190 HB3 GLN 29 2HB GLN 29 2.748 11.663 6.288 191 HG2 GLN 29 1HG GLN 29 0.742 11.299 4.915 192 HG3 GLN 29 2HG GLN 29 0.801 9.584 5.316 193 HE21 GLN 29 1HE2 GLN 29 0.340 8.928 7.432 194 HE22 GLN 29 2HE2 GLN 29 -0.520 9.948 8.530 195 H CYS 30 H CYS 30 4.141 12.520 3.343 196 HA CYS 30 HA CYS 30 6.683 12.702 4.814 197 HB2 CYS 30 1HB CYS 30 7.873 13.235 2.796 198 HB3 CYS 30 2HB CYS 30 6.989 11.739 2.521 199 HG CYS 30 HG CYS 30 5.012 12.865 0.963 200 H GLU 31 H GLU 31 7.660 14.853 4.787 201 HA GLU 31 HA GLU 31 5.608 16.960 4.601 202 HB2 GLU 31 1HB GLU 31 6.754 16.241 6.876 203 HB3 GLU 31 2HB GLU 31 8.041 17.291 6.299 204 HG2 GLU 31 1HG GLU 31 6.609 19.176 6.258 205 HG3 GLU 31 2HG GLU 31 5.179 18.176 6.509 206 H LEU 32 H LEU 32 6.594 19.196 4.317 207 HA LEU 32 HA LEU 32 9.052 19.227 2.758 208 HB2 LEU 32 1HB LEU 32 6.408 20.170 1.659 209 HB3 LEU 32 2HB LEU 32 7.977 20.457 0.908 210 HG LEU 32 HG LEU 32 6.927 17.683 1.401 211 HD11 LEU 32 1HD1 LEU 32 6.683 18.354 -1.325 212 HD12 LEU 32 2HD1 LEU 32 5.874 19.623 -0.406 213 HD13 LEU 32 3HD1 LEU 32 5.403 17.938 -0.185 214 HD21 LEU 32 1HD2 LEU 32 9.214 18.918 -0.022 215 HD22 LEU 32 2HD2 LEU 32 8.454 17.515 -0.775 216 HD23 LEU 32 3HD2 LEU 32 9.112 17.392 0.858 217 H SER 33 H SER 33 9.883 21.374 2.400 218 HA SER 33 HA SER 33 9.635 23.050 4.639 219 HB2 SER 33 1HB SER 33 11.648 22.949 3.193 220 HB3 SER 33 2HB SER 33 10.745 23.757 1.911 221 HG SER 33 HG SER 33 11.721 24.774 4.324 222 H LYS 34 H LYS 34 7.985 23.002 1.572 223 HA LYS 34 HA LYS 34 5.987 24.815 2.528 224 HB2 LYS 34 1HB LYS 34 6.264 26.530 0.805 225 HB3 LYS 34 2HB LYS 34 7.685 26.440 1.837 226 HG2 LYS 34 1HG LYS 34 8.994 25.500 0.176 227 HG3 LYS 34 2HG LYS 34 7.597 24.935 -0.744 228 HD2 LYS 34 1HD LYS 34 7.085 27.511 -0.916 229 HD3 LYS 34 2HD LYS 34 8.818 27.652 -0.609 230 HE2 LYS 34 1HE LYS 34 8.764 27.560 -2.910 231 HE3 LYS 34 2HE LYS 34 9.011 25.864 -2.497 232 HZ1 LYS 34 1HZ LYS 34 6.642 27.187 -3.590 233 HZ2 LYS 34 2HZ LYS 34 6.397 25.880 -2.544 234 HZ3 LYS 34 3HZ LYS 34 7.300 25.673 -3.960 235 H VAL 35 H VAL 35 4.375 25.306 0.686 236 HA VAL 35 HA VAL 35 3.541 22.828 -0.409 237 HB VAL 35 HB VAL 35 2.565 25.621 -1.022 238 HG11 VAL 35 1HG1 VAL 35 0.726 24.703 -2.118 239 HG12 VAL 35 2HG1 VAL 35 2.077 23.727 -2.698 240 HG13 VAL 35 3HG1 VAL 35 1.005 23.097 -1.446 241 HG21 VAL 35 1HG2 VAL 35 1.334 25.542 0.842 242 HG22 VAL 35 2HG2 VAL 35 0.861 23.866 0.564 243 HG23 VAL 35 3HG2 VAL 35 2.399 24.230 1.346 244 H ALA 36 H ALA 36 4.622 21.875 -2.013 245 HA ALA 36 HA ALA 36 4.978 23.333 -4.509 246 HB1 ALA 36 1HB ALA 36 7.135 23.731 -4.014 247 HB2 ALA 36 2HB ALA 36 7.192 22.477 -2.775 248 HB3 ALA 36 3HB ALA 36 7.354 22.043 -4.476 249 HA PRO 37 HA PRO 37 3.815 19.521 -6.348 250 HB2 PRO 37 1HB PRO 37 5.169 19.614 -8.699 251 HB3 PRO 37 2HB PRO 37 3.766 20.634 -8.357 252 HG2 PRO 37 1HG PRO 37 6.680 21.307 -8.204 253 HG3 PRO 37 2HG PRO 37 5.342 22.268 -8.862 254 HD2 PRO 37 1HD PRO 37 6.385 22.713 -6.403 255 HD3 PRO 37 2HD PRO 37 4.673 22.992 -6.778 256 H VAL 38 H VAL 38 4.430 17.486 -5.990 257 HA VAL 38 HA VAL 38 7.307 16.848 -6.073 258 HB VAL 38 HB VAL 38 6.980 15.231 -4.286 259 HG11 VAL 38 1HG1 VAL 38 7.121 16.741 -2.593 260 HG12 VAL 38 2HG1 VAL 38 7.242 17.858 -3.954 261 HG13 VAL 38 3HG1 VAL 38 5.700 17.639 -3.125 262 HG21 VAL 38 1HG2 VAL 38 4.988 14.473 -3.636 263 HG22 VAL 38 2HG2 VAL 38 4.365 16.106 -3.399 264 HG23 VAL 38 3HG2 VAL 38 4.301 15.361 -4.996 265 H GLU 39 H GLU 39 7.711 14.460 -6.354 266 HA GLU 39 HA GLU 39 5.629 13.077 -7.863 267 HB2 GLU 39 1HB GLU 39 7.238 14.486 -9.362 268 HB3 GLU 39 2HB GLU 39 8.388 13.198 -9.032 269 HG2 GLU 39 1HG GLU 39 7.187 11.633 -10.208 270 HG3 GLU 39 2HG GLU 39 5.665 12.502 -10.017 271 H TRP 40 H TRP 40 5.476 11.093 -7.081 272 HA TRP 40 HA TRP 40 7.568 9.970 -5.453 273 HB2 TRP 40 1HB TRP 40 4.922 8.800 -6.343 274 HB3 TRP 40 2HB TRP 40 5.995 8.090 -5.140 275 HD1 TRP 40 HD TRP 40 4.084 11.440 -5.632 276 HE1 TRP 40 1HE TRP 40 3.267 12.224 -3.321 277 HE3 TRP 40 3HE TRP 40 6.115 7.736 -2.752 278 HZ2 TRP 40 2HZ TRP 40 3.458 11.384 -0.632 279 HZ3 TRP 40 3HZ TRP 40 5.752 7.800 -0.319 280 HH2 TRP 40 HH TRP 40 4.451 9.588 0.717 281 H LYS 41 H LYS 41 8.791 8.143 -5.865 282 HA LYS 41 HA LYS 41 8.605 6.942 -8.529 283 HB2 LYS 41 1HB LYS 41 10.882 8.506 -7.440 284 HB3 LYS 41 2HB LYS 41 11.279 7.036 -8.319 285 HG2 LYS 41 1HG LYS 41 9.576 8.088 -10.067 286 HG3 LYS 41 2HG LYS 41 10.119 9.579 -9.292 287 HD2 LYS 41 1HD LYS 41 12.409 9.085 -9.818 288 HD3 LYS 41 2HD LYS 41 11.974 7.482 -10.416 289 HE2 LYS 41 1HE LYS 41 11.034 8.318 -12.352 290 HE3 LYS 41 2HE LYS 41 10.726 9.902 -11.643 291 HZ1 LYS 41 1HZ LYS 41 13.454 8.889 -12.201 292 HZ2 LYS 41 2HZ LYS 41 12.997 10.470 -11.814 293 HZ3 LYS 41 3HZ LYS 41 12.569 9.809 -13.311 294 H LYS 42 H LYS 42 9.376 4.829 -8.672 295 HA LYS 42 HA LYS 42 9.927 3.551 -6.076 296 HB2 LYS 42 1HB LYS 42 7.821 2.819 -7.056 297 HB3 LYS 42 2HB LYS 42 8.636 2.406 -8.559 298 HG2 LYS 42 1HG LYS 42 9.721 0.567 -7.596 299 HG3 LYS 42 2HG LYS 42 9.374 1.115 -5.954 300 HD2 LYS 42 1HD LYS 42 7.029 0.645 -6.240 301 HD3 LYS 42 2HD LYS 42 7.275 0.256 -7.944 302 HE2 LYS 42 1HE LYS 42 8.993 -1.479 -6.903 303 HE3 LYS 42 2HE LYS 42 7.921 -1.325 -5.512 304 HZ1 LYS 42 1HZ LYS 42 7.538 -2.926 -7.705 305 HZ2 LYS 42 2HZ LYS 42 6.454 -1.648 -7.931 306 HZ3 LYS 42 3HZ LYS 42 6.396 -2.566 -6.511 307 H GLY 43 H GLY 43 11.588 4.666 -8.552 308 HA2 GLY 43 1HA GLY 43 13.964 3.477 -8.167 309 HA3 GLY 43 2HA GLY 43 13.159 2.316 -9.211 310 HA PRO 44 HA PRO 44 15.296 5.017 -12.161 311 HB2 PRO 44 1HB PRO 44 15.373 3.150 -14.131 312 HB3 PRO 44 2HB PRO 44 16.544 3.200 -12.808 313 HG2 PRO 44 1HG PRO 44 14.116 1.479 -13.124 314 HG3 PRO 44 2HG PRO 44 15.734 1.035 -12.551 315 HD2 PRO 44 1HD PRO 44 13.665 1.487 -10.865 316 HD3 PRO 44 2HD PRO 44 15.347 1.857 -10.433 317 H GLU 45 H GLU 45 12.194 3.993 -11.861 318 HA GLU 45 HA GLU 45 11.401 5.154 -14.452 319 HB2 GLU 45 1HB GLU 45 10.374 2.818 -12.933 320 HB3 GLU 45 2HB GLU 45 9.182 3.819 -13.750 321 HG2 GLU 45 1HG GLU 45 9.895 3.229 -15.825 322 HG3 GLU 45 2HG GLU 45 11.558 2.967 -15.302 323 H THR 46 H THR 46 9.091 6.059 -14.340 324 HA THR 46 HA THR 46 8.819 7.613 -11.848 325 HB THR 46 HB THR 46 7.696 8.599 -14.441 326 HG1 THR 46 1HG THR 46 10.243 9.484 -13.764 327 HG21 THR 46 1HG2 THR 46 7.063 9.899 -12.579 328 HG22 THR 46 2HG2 THR 46 8.387 10.792 -13.330 329 HG23 THR 46 3HG2 THR 46 8.680 9.832 -11.880 330 H LEU 47 H LEU 47 6.906 7.595 -10.816 331 HA LEU 47 HA LEU 47 4.764 5.971 -11.986 332 HB2 LEU 47 1HB LEU 47 5.098 6.915 -9.144 333 HB3 LEU 47 2HB LEU 47 3.902 5.763 -9.735 334 HG LEU 47 HG LEU 47 6.816 5.156 -10.021 335 HD11 LEU 47 1HD1 LEU 47 7.153 5.086 -7.834 336 HD12 LEU 47 2HD1 LEU 47 5.863 3.893 -7.692 337 HD13 LEU 47 3HD1 LEU 47 5.497 5.610 -7.529 338 HD21 LEU 47 1HD2 LEU 47 5.746 3.450 -11.034 339 HD22 LEU 47 2HD2 LEU 47 4.238 3.736 -10.165 340 HD23 LEU 47 3HD2 LEU 47 5.556 2.863 -9.382 341 H ARG 48 H ARG 48 2.496 6.685 -11.217 342 HA ARG 48 HA ARG 48 2.167 9.570 -11.071 343 HB2 ARG 48 1HB ARG 48 1.377 7.907 -13.434 344 HB3 ARG 48 2HB ARG 48 0.400 9.299 -12.987 345 HG2 ARG 48 1HG ARG 48 3.357 9.557 -13.362 346 HG3 ARG 48 2HG ARG 48 2.255 9.596 -14.739 347 HD2 ARG 48 1HD ARG 48 1.005 11.426 -13.576 348 HD3 ARG 48 2HD ARG 48 2.287 11.452 -12.366 349 HE ARG 48 HE ARG 48 3.519 11.723 -14.828 350 HH11 ARG 48 2HH1 ARG 48 1.201 13.473 -12.910 351 HH12 ARG 48 1HH1 ARG 48 1.652 15.022 -13.542 352 HH21 ARG 48 2HH2 ARG 48 4.122 13.757 -15.668 353 HH22 ARG 48 1HH2 ARG 48 3.313 15.182 -15.111 354 H ASP 49 H ASP 49 -0.152 10.170 -10.781 355 HA ASP 49 HA ASP 49 -1.377 8.316 -8.923 356 HB2 ASP 49 1HB ASP 49 -2.576 10.113 -8.108 357 HB3 ASP 49 2HB ASP 49 -1.151 10.932 -8.742 358 H GLY 50 H GLY 50 -3.021 6.994 -9.360 359 HA2 GLY 50 1HA GLY 50 -5.006 7.634 -11.347 360 HA3 GLY 50 2HA GLY 50 -3.934 6.330 -11.835 361 H GLY 51 H GLY 51 -4.266 4.310 -11.055 362 HA2 GLY 51 1HA GLY 51 -6.711 3.901 -9.532 363 HA3 GLY 51 2HA GLY 51 -5.754 2.658 -10.325 364 H ARG 52 H ARG 52 -4.523 1.393 -9.090 365 HA ARG 52 HA ARG 52 -4.649 1.133 -6.425 366 HB2 ARG 52 1HB ARG 52 -2.493 0.523 -8.380 367 HB3 ARG 52 2HB ARG 52 -2.089 0.405 -6.673 368 HG2 ARG 52 1HG ARG 52 -2.762 -1.734 -7.100 369 HG3 ARG 52 2HG ARG 52 -4.285 -1.018 -6.568 370 HD2 ARG 52 1HD ARG 52 -4.763 -2.268 -8.527 371 HD3 ARG 52 2HD ARG 52 -4.795 -0.567 -8.988 372 HE ARG 52 HE ARG 52 -2.257 -1.302 -9.548 373 HH11 ARG 52 2HH1 ARG 52 -5.364 -2.637 -10.377 374 HH12 ARG 52 1HH1 ARG 52 -4.826 -3.288 -11.889 375 HH21 ARG 52 2HH2 ARG 52 -1.537 -2.155 -11.537 376 HH22 ARG 52 1HH2 ARG 52 -2.649 -3.014 -12.548 377 H TYR 53 H TYR 53 -2.184 3.115 -8.064 378 HA TYR 53 HA TYR 53 -1.144 4.153 -5.609 379 HB2 TYR 53 1HB TYR 53 -0.747 4.986 -8.487 380 HB3 TYR 53 2HB TYR 53 0.102 5.721 -7.131 381 HD1 TYR 53 1HD TYR 53 0.923 3.571 -5.454 382 HD2 TYR 53 2HD TYR 53 0.699 3.664 -9.702 383 HE1 TYR 53 1HE TYR 53 2.645 1.819 -5.577 384 HE2 TYR 53 2HE TYR 53 2.420 1.912 -9.837 385 HH TYR 53 HH TYR 53 4.452 1.152 -7.550 386 H SER 54 H SER 54 -2.278 5.492 -4.376 387 HA SER 54 HA SER 54 -3.777 7.666 -5.687 388 HB2 SER 54 1HB SER 54 -4.578 5.804 -3.506 389 HB3 SER 54 2HB SER 54 -5.114 7.479 -3.377 390 HG SER 54 HG SER 54 -6.599 6.142 -4.526 391 H LEU 55 H LEU 55 -2.403 9.344 -5.450 392 HA LEU 55 HA LEU 55 -1.178 9.815 -2.830 393 HB2 LEU 55 1HB LEU 55 -0.649 11.428 -5.298 394 HB3 LEU 55 2HB LEU 55 0.383 11.190 -3.890 395 HG LEU 55 HG LEU 55 0.555 8.751 -4.667 396 HD11 LEU 55 1HD1 LEU 55 0.387 8.877 -7.320 397 HD12 LEU 55 2HD1 LEU 55 -0.907 10.005 -6.915 398 HD13 LEU 55 3HD1 LEU 55 -0.957 8.350 -6.307 399 HD21 LEU 55 1HD2 LEU 55 2.003 11.088 -5.303 400 HD22 LEU 55 2HD2 LEU 55 1.955 10.095 -6.760 401 HD23 LEU 55 3HD2 LEU 55 2.585 9.424 -5.254 402 H LYS 56 H LYS 56 -1.546 11.647 -1.642 403 HA LYS 56 HA LYS 56 -3.495 13.581 -2.687 404 HB2 LYS 56 1HB LYS 56 -4.624 11.899 -1.216 405 HB3 LYS 56 2HB LYS 56 -3.590 12.427 0.105 406 HG2 LYS 56 1HG LYS 56 -4.534 14.757 -0.308 407 HG3 LYS 56 2HG LYS 56 -5.757 13.955 -1.296 408 HD2 LYS 56 1HD LYS 56 -5.251 12.896 1.437 409 HD3 LYS 56 2HD LYS 56 -6.128 14.421 1.287 410 HE2 LYS 56 1HE LYS 56 -7.564 13.148 -0.447 411 HE3 LYS 56 2HE LYS 56 -6.882 11.699 0.290 412 HZ1 LYS 56 1HZ LYS 56 -9.065 13.092 1.167 413 HZ2 LYS 56 2HZ LYS 56 -7.842 13.537 2.248 414 HZ3 LYS 56 3HZ LYS 56 -8.224 11.904 2.030 415 H GLN 57 H GLN 57 -2.755 15.586 -2.524 416 HA GLN 57 HA GLN 57 -0.497 16.129 -0.754 417 HB2 GLN 57 1HB GLN 57 -0.353 16.788 -3.134 418 HB3 GLN 57 2HB GLN 57 -1.727 17.861 -2.904 419 HG2 GLN 57 1HG GLN 57 -0.516 19.386 -1.701 420 HG3 GLN 57 2HG GLN 57 0.657 18.188 -1.158 421 HE21 GLN 57 1HE2 GLN 57 2.453 19.308 -1.782 422 HE22 GLN 57 2HE2 GLN 57 2.863 19.604 -3.434 423 H ASP 58 H ASP 58 -0.902 16.879 1.209 424 HA ASP 58 HA ASP 58 -3.258 18.606 1.599 425 HB2 ASP 58 1HB ASP 58 -2.014 16.489 3.297 426 HB3 ASP 58 2HB ASP 58 -2.795 17.851 4.097 427 H GLY 59 H GLY 59 -2.084 20.497 1.040 428 HA2 GLY 59 1HA GLY 59 -0.979 22.427 1.625 429 HA3 GLY 59 2HA GLY 59 -0.854 21.782 3.255 430 H THR 60 H THR 60 1.061 21.020 3.958 431 HA THR 60 HA THR 60 3.282 21.056 2.027 432 HB THR 60 HB THR 60 4.730 21.268 4.105 433 HG1 THR 60 1HG THR 60 2.429 22.225 5.413 434 HG21 THR 60 1HG2 THR 60 4.560 23.606 4.131 435 HG22 THR 60 2HG2 THR 60 2.823 23.573 3.830 436 HG23 THR 60 3HG2 THR 60 3.949 23.150 2.541 437 H ARG 61 H ARG 61 1.393 18.807 2.726 438 HA ARG 61 HA ARG 61 3.480 16.815 3.247 439 HB2 ARG 61 1HB ARG 61 0.889 17.145 4.720 440 HB3 ARG 61 2HB ARG 61 1.598 15.546 4.535 441 HG2 ARG 61 1HG ARG 61 3.530 16.158 5.751 442 HG3 ARG 61 2HG ARG 61 3.108 17.871 5.692 443 HD2 ARG 61 1HD ARG 61 2.512 17.238 7.851 444 HD3 ARG 61 2HD ARG 61 0.987 17.177 6.968 445 HE ARG 61 HE ARG 61 0.947 14.891 7.237 446 HH11 ARG 61 2HH1 ARG 61 4.057 16.140 8.178 447 HH12 ARG 61 1HH1 ARG 61 4.584 14.653 8.894 448 HH21 ARG 61 2HH2 ARG 61 1.629 12.927 8.176 449 HH22 ARG 61 1HH2 ARG 61 3.202 12.826 8.891 450 H CYS 62 H CYS 62 2.923 14.657 2.497 451 HA CYS 62 HA CYS 62 0.730 14.555 0.557 452 HB2 CYS 62 1HB CYS 62 3.626 13.918 -0.018 453 HB3 CYS 62 2HB CYS 62 2.300 13.390 -1.047 454 HG CYS 62 HG CYS 62 3.551 16.510 -0.610 455 H GLU 63 H GLU 63 -0.281 12.614 0.422 456 HA GLU 63 HA GLU 63 0.858 10.408 2.011 457 HB2 GLU 63 1HB GLU 63 -1.116 11.422 3.085 458 HB3 GLU 63 2HB GLU 63 -2.061 11.103 1.637 459 HG2 GLU 63 1HG GLU 63 -1.895 8.748 1.956 460 HG3 GLU 63 2HG GLU 63 -0.731 8.953 3.263 461 H LEU 64 H LEU 64 1.375 8.693 0.841 462 HA LEU 64 HA LEU 64 0.040 8.289 -1.747 463 HB2 LEU 64 1HB LEU 64 2.353 8.519 -2.084 464 HB3 LEU 64 2HB LEU 64 2.739 7.502 -0.697 465 HG LEU 64 HG LEU 64 1.709 5.585 -2.038 466 HD11 LEU 64 1HD1 LEU 64 1.684 5.842 -4.445 467 HD12 LEU 64 2HD1 LEU 64 2.154 7.535 -4.294 468 HD13 LEU 64 3HD1 LEU 64 0.581 7.001 -3.702 469 HD21 LEU 64 1HD2 LEU 64 4.040 6.318 -3.596 470 HD22 LEU 64 2HD2 LEU 64 3.818 4.999 -2.447 471 HD23 LEU 64 3HD2 LEU 64 4.279 6.603 -1.872 472 H GLN 65 H GLN 65 -1.368 6.683 -1.916 473 HA GLN 65 HA GLN 65 -1.227 4.482 0.035 474 HB2 GLN 65 1HB GLN 65 -3.525 5.905 -1.242 475 HB3 GLN 65 2HB GLN 65 -3.721 4.221 -0.773 476 HG2 GLN 65 1HG GLN 65 -3.458 4.687 1.485 477 HG3 GLN 65 2HG GLN 65 -2.679 6.238 1.173 478 HE21 GLN 65 1HE2 GLN 65 -4.609 6.270 2.973 479 HE22 GLN 65 2HE2 GLN 65 -6.054 6.984 2.352 480 H ILE 66 H ILE 66 -0.873 2.487 -0.695 481 HA ILE 66 HA ILE 66 -1.041 2.032 -3.600 482 HB ILE 66 HB ILE 66 0.601 0.395 -1.679 483 HG12 ILE 66 1HG1 ILE 66 1.852 2.470 -3.426 484 HG13 ILE 66 2HG1 ILE 66 1.113 2.986 -1.914 485 HG21 ILE 66 1HG2 ILE 66 1.808 0.379 -4.144 486 HG22 ILE 66 2HG2 ILE 66 0.742 -0.874 -3.511 487 HG23 ILE 66 3HG2 ILE 66 0.091 0.395 -4.548 488 HD11 ILE 66 1HD1 ILE 66 3.320 2.640 -1.335 489 HD12 ILE 66 2HD1 ILE 66 2.550 1.129 -0.850 490 HD13 ILE 66 3HD1 ILE 66 3.469 1.207 -2.353 491 H HIS 67 H HIS 67 -3.208 1.387 -3.619 492 HA HIS 67 HA HIS 67 -4.335 -0.534 -1.901 493 HB2 HIS 67 1HB HIS 67 -5.123 0.181 -4.733 494 HB3 HIS 67 2HB HIS 67 -6.120 -0.717 -3.593 495 HD1 HIS 67 1HD HIS 67 -6.686 0.711 -1.307 496 HD2 HIS 67 2HD HIS 67 -5.556 2.853 -4.683 497 HE1 HIS 67 1HE HIS 67 -7.461 3.069 -0.899 498 HE2 HIS 67 2HE HIS 67 -6.842 4.327 -2.991 499 H ASP 68 H ASP 68 -4.757 -2.736 -2.187 500 HA ASP 68 HA ASP 68 -4.314 -4.886 -2.784 501 HB2 ASP 68 1HB ASP 68 -3.992 -3.413 -5.352 502 HB3 ASP 68 2HB ASP 68 -3.388 -5.066 -5.280 503 H LEU 69 H LEU 69 -2.376 -3.620 -1.309 504 HA LEU 69 HA LEU 69 0.199 -3.461 -2.127 505 HB2 LEU 69 1HB LEU 69 -1.078 -4.379 0.385 506 HB3 LEU 69 2HB LEU 69 0.643 -4.705 0.192 507 HG LEU 69 HG LEU 69 -0.692 -2.000 0.173 508 HD11 LEU 69 1HD1 LEU 69 -0.039 -3.530 2.319 509 HD12 LEU 69 2HD1 LEU 69 -0.083 -1.767 2.317 510 HD13 LEU 69 3HD1 LEU 69 1.448 -2.610 2.081 511 HD21 LEU 69 1HD2 LEU 69 1.940 -1.475 0.320 512 HD22 LEU 69 2HD2 LEU 69 1.033 -1.495 -1.193 513 HD23 LEU 69 3HD2 LEU 69 1.972 -2.908 -0.708 514 H SER 70 H SER 70 2.017 -4.941 -2.056 515 HA SER 70 HA SER 70 1.516 -7.777 -2.152 516 HB2 SER 70 1HB SER 70 1.005 -6.650 -4.495 517 HB3 SER 70 2HB SER 70 2.761 -6.708 -4.650 518 HG SER 70 HG SER 70 2.415 -9.025 -3.951 519 H VAL 71 H VAL 71 3.457 -9.031 -2.222 520 HA VAL 71 HA VAL 71 5.569 -8.004 -0.731 521 HB VAL 71 HB VAL 71 6.851 -10.039 -1.699 522 HG11 VAL 71 1HG1 VAL 71 4.421 -11.071 -0.420 523 HG12 VAL 71 2HG1 VAL 71 6.107 -11.179 0.088 524 HG13 VAL 71 3HG1 VAL 71 5.178 -9.715 0.417 525 HG21 VAL 71 1HG2 VAL 71 5.901 -11.293 -3.274 526 HG22 VAL 71 2HG2 VAL 71 4.371 -11.351 -2.400 527 HG23 VAL 71 3HG2 VAL 71 4.718 -10.002 -3.481 528 H ALA 72 H ALA 72 4.947 -7.806 -4.111 529 HA ALA 72 HA ALA 72 7.646 -7.335 -4.943 530 HB1 ALA 72 1HB ALA 72 6.008 -8.203 -6.509 531 HB2 ALA 72 2HB ALA 72 5.039 -6.739 -6.338 532 HB3 ALA 72 3HB ALA 72 6.638 -6.656 -7.077 533 H ASP 73 H ASP 73 4.996 -5.358 -3.815 534 HA ASP 73 HA ASP 73 6.015 -2.854 -4.672 535 HB2 ASP 73 1HB ASP 73 4.064 -3.601 -2.490 536 HB3 ASP 73 2HB ASP 73 4.449 -1.935 -2.914 537 H ALA 74 H ALA 74 6.571 -4.857 -1.864 538 HA ALA 74 HA ALA 74 7.728 -2.978 -0.149 539 HB1 ALA 74 1HB ALA 74 7.296 -5.733 -0.133 540 HB2 ALA 74 2HB ALA 74 9.038 -5.536 0.059 541 HB3 ALA 74 3HB ALA 74 7.932 -4.745 1.182 542 H GLY 75 H GLY 75 9.210 -1.583 -0.958 543 HA2 GLY 75 1HA GLY 75 11.830 -2.650 -1.574 544 HA3 GLY 75 2HA GLY 75 11.049 -1.824 -2.915 545 H GLU 76 H GLU 76 11.744 0.185 -3.147 546 HA GLU 76 HA GLU 76 12.057 1.859 -0.764 547 HB2 GLU 76 1HB GLU 76 14.286 0.889 -1.545 548 HB3 GLU 76 2HB GLU 76 14.101 1.889 -2.979 549 HG2 GLU 76 1HG GLU 76 14.431 3.842 -1.834 550 HG3 GLU 76 2HG GLU 76 13.871 3.168 -0.304 551 H TYR 77 H TYR 77 10.600 3.410 -1.068 552 HA TYR 77 HA TYR 77 10.140 4.443 -3.772 553 HB2 TYR 77 1HB TYR 77 8.549 4.769 -1.221 554 HB3 TYR 77 2HB TYR 77 8.125 5.511 -2.759 555 HD1 TYR 77 1HD TYR 77 8.549 2.262 -1.032 556 HD2 TYR 77 2HD TYR 77 6.970 4.290 -4.423 557 HE1 TYR 77 1HE TYR 77 7.310 0.233 -1.662 558 HE2 TYR 77 2HE TYR 77 5.726 2.267 -5.061 559 HH TYR 77 HH TYR 77 6.099 -0.351 -4.580 560 H SER 78 H SER 78 11.127 6.243 -4.366 561 HA SER 78 HA SER 78 12.033 8.116 -2.286 562 HB2 SER 78 1HB SER 78 13.029 8.267 -5.101 563 HB3 SER 78 2HB SER 78 13.863 8.648 -3.595 564 HG SER 78 HG SER 78 13.509 6.189 -3.298 565 H CYS 79 H CYS 79 11.467 10.241 -2.341 566 HA CYS 79 HA CYS 79 9.613 11.062 -4.480 567 HB2 CYS 79 1HB CYS 79 8.727 10.673 -2.046 568 HB3 CYS 79 2HB CYS 79 9.477 12.232 -1.723 569 HG CYS 79 HG CYS 79 7.596 12.365 -4.444 570 H MET 80 H MET 80 10.471 12.585 -5.716 571 HA MET 80 HA MET 80 12.571 14.308 -4.637 572 HB2 MET 80 1HB MET 80 11.614 14.088 -7.494 573 HB3 MET 80 2HB MET 80 13.090 14.859 -6.927 574 HG2 MET 80 1HG MET 80 13.942 12.689 -6.198 575 HG3 MET 80 2HG MET 80 12.465 11.919 -6.773 576 HE1 MET 80 1HE MET 80 13.148 10.312 -8.422 577 HE2 MET 80 2HE MET 80 14.363 10.523 -9.684 578 HE3 MET 80 3HE MET 80 14.850 10.478 -7.988 579 H CYS 81 H CYS 81 12.239 16.375 -4.129 580 HA CYS 81 HA CYS 81 9.894 17.750 -5.242 581 HB2 CYS 81 1HB CYS 81 9.199 17.102 -3.045 582 HB3 CYS 81 2HB CYS 81 10.724 17.627 -2.342 583 HG CYS 81 HG CYS 81 8.649 19.874 -3.845 584 H GLY 82 H GLY 82 11.049 19.044 -6.617 585 HA2 GLY 82 1HA GLY 82 12.118 21.025 -7.148 586 HA3 GLY 82 2HA GLY 82 12.391 21.293 -5.433 587 H GLN 83 H GLN 83 14.229 20.338 -4.433 588 HA GLN 83 HA GLN 83 16.297 19.438 -6.326 589 HB2 GLN 83 1HB GLN 83 16.494 21.849 -5.406 590 HB3 GLN 83 2HB GLN 83 16.946 21.076 -3.892 591 HG2 GLN 83 1HG GLN 83 18.367 20.323 -6.400 592 HG3 GLN 83 2HG GLN 83 18.767 21.838 -5.592 593 HE21 GLN 83 1HE2 GLN 83 19.777 18.816 -5.914 594 HE22 GLN 83 2HE2 GLN 83 20.483 18.537 -4.362 595 H GLU 84 H GLU 84 15.153 19.427 -2.980 596 HA GLU 84 HA GLU 84 16.993 17.473 -2.056 597 HB2 GLU 84 1HB GLU 84 14.475 18.689 -1.017 598 HB3 GLU 84 2HB GLU 84 15.051 17.205 -0.270 599 HG2 GLU 84 1HG GLU 84 16.415 19.872 -0.405 600 HG3 GLU 84 2HG GLU 84 15.922 18.960 1.021 601 H ARG 85 H ARG 85 16.065 15.375 -1.030 602 HA ARG 85 HA ARG 85 13.916 14.095 -2.418 603 HB2 ARG 85 1HB ARG 85 15.534 13.910 -4.193 604 HB3 ARG 85 2HB ARG 85 16.758 13.316 -3.079 605 HG2 ARG 85 1HG ARG 85 15.376 11.302 -2.696 606 HG3 ARG 85 2HG ARG 85 14.242 11.891 -3.914 607 HD2 ARG 85 1HD ARG 85 15.690 11.498 -5.648 608 HD3 ARG 85 2HD ARG 85 17.121 11.685 -4.636 609 HE ARG 85 HE ARG 85 15.590 9.376 -3.939 610 HH11 ARG 85 2HH1 ARG 85 17.949 10.620 -6.177 611 HH12 ARG 85 1HH1 ARG 85 18.624 9.065 -6.532 612 HH21 ARG 85 2HH2 ARG 85 16.471 7.323 -4.398 613 HH22 ARG 85 1HH2 ARG 85 17.782 7.190 -5.521 614 H THR 86 H THR 86 13.213 12.285 -1.361 615 HA THR 86 HA THR 86 14.881 11.249 0.827 616 HB THR 86 HB THR 86 13.181 12.876 1.705 617 HG1 THR 86 1HG THR 86 12.682 10.209 2.563 618 HG21 THR 86 1HG2 THR 86 11.277 12.629 0.390 619 HG22 THR 86 2HG2 THR 86 10.831 11.789 1.875 620 HG23 THR 86 3HG2 THR 86 11.337 10.869 0.459 621 H SER 87 H SER 87 14.286 9.111 1.560 622 HA SER 87 HA SER 87 12.581 7.590 -0.276 623 HB2 SER 87 1HB SER 87 15.186 6.382 0.568 624 HB3 SER 87 2HB SER 87 14.202 6.038 -0.854 625 HG SER 87 HG SER 87 15.566 7.304 -1.828 626 H ALA 88 H ALA 88 11.738 5.651 0.586 627 HA ALA 88 HA ALA 88 12.263 5.082 3.402 628 HB1 ALA 88 1HB ALA 88 9.561 4.895 3.427 629 HB2 ALA 88 2HB ALA 88 10.468 6.299 3.991 630 HB3 ALA 88 3HB ALA 88 9.792 6.283 2.362 631 H THR 89 H THR 89 12.599 2.974 3.565 632 HA THR 89 HA THR 89 11.865 1.154 1.484 633 HB THR 89 HB THR 89 13.017 0.596 4.224 634 HG1 THR 89 1HG THR 89 14.800 1.271 3.326 635 HG21 THR 89 1HG2 THR 89 11.911 -1.184 2.335 636 HG22 THR 89 2HG2 THR 89 12.843 -1.580 3.780 637 HG23 THR 89 3HG2 THR 89 13.663 -1.361 2.234 638 H LEU 90 H LEU 90 9.897 0.341 1.236 639 HA LEU 90 HA LEU 90 8.083 0.179 3.509 640 HB2 LEU 90 1HB LEU 90 7.135 1.145 1.562 641 HB3 LEU 90 2HB LEU 90 7.720 -0.170 0.545 642 HG LEU 90 HG LEU 90 6.135 -1.662 1.912 643 HD11 LEU 90 1HD1 LEU 90 4.626 0.870 2.393 644 HD12 LEU 90 2HD1 LEU 90 5.804 0.303 3.576 645 HD13 LEU 90 3HD1 LEU 90 4.430 -0.714 3.143 646 HD21 LEU 90 1HD2 LEU 90 4.166 -0.335 0.536 647 HD22 LEU 90 2HD2 LEU 90 5.254 -1.550 -0.138 648 HD23 LEU 90 3HD2 LEU 90 5.634 0.165 -0.304 649 H THR 91 H THR 91 7.268 -1.687 4.350 650 HA THR 91 HA THR 91 8.492 -4.187 3.387 651 HB THR 91 HB THR 91 7.473 -3.527 6.158 652 HG1 THR 91 1HG THR 91 9.429 -2.760 6.370 653 HG21 THR 91 1HG2 THR 91 8.304 -6.048 4.854 654 HG22 THR 91 2HG2 THR 91 7.202 -5.779 6.204 655 HG23 THR 91 3HG2 THR 91 8.945 -5.756 6.471 656 H VAL 92 H VAL 92 7.238 -5.990 3.054 657 HA VAL 92 HA VAL 92 4.340 -5.723 3.466 658 HB VAL 92 HB VAL 92 5.600 -6.777 0.930 659 HG11 VAL 92 1HG1 VAL 92 3.350 -6.964 0.091 660 HG12 VAL 92 2HG1 VAL 92 3.475 -7.862 1.606 661 HG13 VAL 92 3HG1 VAL 92 2.698 -6.279 1.579 662 HG21 VAL 92 1HG2 VAL 92 3.886 -4.548 0.495 663 HG22 VAL 92 2HG2 VAL 92 5.073 -4.109 1.723 664 HG23 VAL 92 3HG2 VAL 92 5.609 -4.698 0.149 665 H ARG 93 H ARG 93 3.556 -7.396 4.552 666 HA ARG 93 HA ARG 93 5.170 -9.786 4.882 667 HB2 ARG 93 1HB ARG 93 2.773 -8.631 6.239 668 HB3 ARG 93 2HB ARG 93 3.070 -10.359 6.382 669 HG2 ARG 93 1HG ARG 93 5.250 -8.407 6.982 670 HG3 ARG 93 2HG ARG 93 3.999 -8.748 8.178 671 HD2 ARG 93 1HD ARG 93 5.562 -10.930 6.829 672 HD3 ARG 93 2HD ARG 93 6.141 -10.131 8.290 673 HE ARG 93 HE ARG 93 3.578 -10.929 8.864 674 HH11 ARG 93 2HH1 ARG 93 6.524 -12.486 7.858 675 HH12 ARG 93 1HH1 ARG 93 6.160 -13.981 8.655 676 HH21 ARG 93 2HH2 ARG 93 3.086 -12.891 9.917 677 HH22 ARG 93 1HH2 ARG 93 4.204 -14.210 9.826 678 H ALA 94 H ALA 94 4.875 -11.617 3.797 679 HA ALA 94 HA ALA 94 2.813 -11.827 1.819 680 HB1 ALA 94 1HB ALA 94 5.237 -13.305 2.547 681 HB2 ALA 94 2HB ALA 94 3.938 -14.300 1.889 682 HB3 ALA 94 3HB ALA 94 4.562 -12.938 0.960 683 H LEU 95 H LEU 95 0.927 -12.900 1.904 684 HA LEU 95 HA LEU 95 -0.424 -13.484 4.175 685 HB2 LEU 95 1HB LEU 95 -0.624 -14.921 1.535 686 HB3 LEU 95 2HB LEU 95 -1.815 -15.043 2.828 687 HG LEU 95 HG LEU 95 -1.325 -12.857 0.887 688 HD11 LEU 95 1HD1 LEU 95 -3.887 -12.698 1.465 689 HD12 LEU 95 2HD1 LEU 95 -3.618 -14.325 2.087 690 HD13 LEU 95 3HD1 LEU 95 -3.267 -13.958 0.398 691 HD21 LEU 95 1HD2 LEU 95 -2.317 -11.183 2.341 692 HD22 LEU 95 2HD2 LEU 95 -0.811 -11.785 3.035 693 HD23 LEU 95 3HD2 LEU 95 -2.360 -12.339 3.673 694 HA PRO 96 HA PRO 96 1.224 -17.097 6.047 695 HB2 PRO 96 1HB PRO 96 -1.012 -18.173 7.147 696 HB3 PRO 96 2HB PRO 96 -0.237 -16.716 7.779 697 HG2 PRO 96 1HG PRO 96 -2.625 -16.967 5.992 698 HG3 PRO 96 2HG PRO 96 -2.377 -15.897 7.385 699 HD2 PRO 96 1HD PRO 96 -2.108 -15.047 4.828 700 HD3 PRO 96 2HD PRO 96 -1.141 -14.384 6.161 701 H ALA 97 H ALA 97 1.949 -18.683 4.757 702 HA ALA 97 HA ALA 97 0.868 -19.894 2.612 703 HB1 ALA 97 1HB ALA 97 2.780 -20.785 4.674 704 HB2 ALA 97 2HB ALA 97 2.087 -22.049 3.658 705 HB3 ALA 97 3HB ALA 97 2.953 -20.701 2.921 706 H ARG 98 H ARG 98 -0.247 -21.892 2.214 707 HA ARG 98 HA ARG 98 -1.734 -23.093 4.393 708 HB2 ARG 98 1HB ARG 98 -3.917 -22.653 3.506 709 HB3 ARG 98 2HB ARG 98 -3.086 -21.113 3.680 710 HG2 ARG 98 1HG ARG 98 -2.474 -21.377 1.209 711 HG3 ARG 98 2HG ARG 98 -3.718 -22.629 1.176 712 HD2 ARG 98 1HD ARG 98 -4.373 -19.971 2.353 713 HD3 ARG 98 2HD ARG 98 -4.290 -20.128 0.599 714 HE ARG 98 HE ARG 98 -6.215 -21.392 0.641 715 HH11 ARG 98 2HH1 ARG 98 -5.026 -20.930 3.880 716 HH12 ARG 98 1HH1 ARG 98 -6.459 -21.546 4.634 717 HH21 ARG 98 2HH2 ARG 98 -8.107 -22.206 1.622 718 HH22 ARG 98 1HH2 ARG 98 -8.211 -22.272 3.348 719 H PHE 99 H PHE 99 -1.825 -25.213 4.067 720 HA PHE 99 HA PHE 99 -1.042 -26.307 1.509 721 HB2 PHE 99 1HB PHE 99 -0.453 -27.132 3.951 722 HB3 PHE 99 2HB PHE 99 -1.958 -28.029 3.773 723 HD1 PHE 99 1HD PHE 99 1.308 -27.422 2.108 724 HD2 PHE 99 2HD PHE 99 -1.975 -30.071 2.677 725 HE1 PHE 99 1HE PHE 99 2.505 -29.170 0.856 726 HE2 PHE 99 2HE PHE 99 -0.782 -31.823 1.427 727 HZ PHE 99 HZ PHE 99 1.461 -31.374 0.516 728 H THR 100 H THR 100 -3.833 -26.741 3.686 729 HA THR 100 HA THR 100 -5.538 -27.102 1.331 730 HB THR 100 HB THR 100 -5.286 -29.356 1.814 731 HG1 THR 100 1HG THR 100 -7.358 -28.938 3.668 732 HG21 THR 100 1HG2 THR 100 -3.978 -28.861 3.942 733 HG22 THR 100 2HG2 THR 100 -4.956 -30.328 3.942 734 HG23 THR 100 3HG2 THR 100 -5.530 -28.885 4.777 735 H GLU 101 H GLU 101 -7.922 -27.206 2.065 736 HA GLU 101 HA GLU 101 -8.390 -24.877 3.703 737 HB2 GLU 101 1HB GLU 101 -9.624 -25.664 1.517 738 HB3 GLU 101 2HB GLU 101 -10.598 -26.596 2.646 739 HG2 GLU 101 1HG GLU 101 -10.794 -24.291 3.883 740 HG3 GLU 101 2HG GLU 101 -10.403 -23.651 2.288 741 H GLY 102 H GLY 102 -7.928 -25.405 5.816 742 HA2 GLY 102 1HA GLY 102 -8.821 -27.792 7.079 743 HA3 GLY 102 2HA GLY 102 -8.200 -26.362 7.890 744 H SER 103 H SER 103 -9.600 -25.672 9.354 745 HA SER 103 HA SER 103 -12.361 -25.197 8.572 746 HB2 SER 103 1HB SER 103 -13.190 -26.296 10.688 747 HB3 SER 103 2HB SER 103 -12.576 -27.412 9.468 748 HG SER 103 HG SER 103 -11.253 -28.085 10.939 749 H GLY 104 H GLY 104 -13.334 -23.531 9.684 750 HA2 GLY 104 1HA GLY 104 -11.856 -21.469 10.683 751 HA3 GLY 104 2HA GLY 104 -13.533 -21.745 11.129 752 HA PRO 105 HA PRO 105 -10.554 -22.223 14.796 753 HB2 PRO 105 1HB PRO 105 -11.210 -19.939 16.108 754 HB3 PRO 105 2HB PRO 105 -9.900 -20.025 14.924 755 HG2 PRO 105 1HG PRO 105 -12.704 -19.034 14.578 756 HG3 PRO 105 2HG PRO 105 -11.188 -18.333 13.981 757 HD2 PRO 105 1HD PRO 105 -12.836 -19.797 12.408 758 HD3 PRO 105 2HD PRO 105 -11.073 -19.786 12.196 759 H SER 106 H SER 106 -11.209 -22.867 16.857 760 HA SER 106 HA SER 106 -13.798 -23.886 17.114 761 HB2 SER 106 1HB SER 106 -11.844 -23.286 19.348 762 HB3 SER 106 2HB SER 106 -13.193 -24.419 19.414 763 HG SER 106 HG SER 106 -12.030 -25.848 18.397 764 H SER 107 H SER 107 -15.452 -23.344 18.677 765 HA SER 107 HA SER 107 -15.812 -20.451 18.867 766 HB2 SER 107 1HB SER 107 -18.131 -20.866 19.097 767 HB3 SER 107 2HB SER 107 -17.578 -22.038 17.901 768 HG SER 107 HG SER 107 -18.180 -22.469 20.632 769 H GLY 108 H GLY 108 -16.699 -19.511 20.842 770 HA2 GLY 108 1HA GLY 108 -15.477 -20.760 23.206 771 HA3 GLY 108 2HA GLY 108 -15.857 -19.053 23.032 Start of MODEL 16 1 H1 GLY 1 H GLY 1 31.302 30.707 6.062 2 HA2 GLY 1 1HA GLY 1 30.064 28.105 6.725 3 HA3 GLY 1 2HA GLY 1 29.306 29.641 7.119 4 H SER 2 H SER 2 27.780 27.966 5.758 5 HA SER 2 HA SER 2 28.056 28.453 2.904 6 HB2 SER 2 1HB SER 2 26.090 26.833 4.530 7 HB3 SER 2 2HB SER 2 25.952 27.042 2.784 8 HG SER 2 HG SER 2 27.783 25.566 4.266 9 H SER 3 H SER 3 25.860 28.957 1.768 10 HA SER 3 HA SER 3 24.131 30.775 3.185 11 HB2 SER 3 1HB SER 3 26.255 31.763 1.325 12 HB3 SER 3 2HB SER 3 24.693 32.579 1.337 13 HG SER 3 HG SER 3 26.371 32.146 3.587 14 H GLY 4 H GLY 4 22.311 31.465 1.910 15 HA2 GLY 4 1HA GLY 4 20.923 31.408 0.006 16 HA3 GLY 4 2HA GLY 4 22.016 30.243 -0.727 17 H SER 5 H SER 5 21.566 28.114 -0.581 18 HA SER 5 HA SER 5 20.082 26.352 -0.451 19 HB2 SER 5 1HB SER 5 21.596 26.234 1.570 20 HB3 SER 5 2HB SER 5 20.295 26.978 2.500 21 HG SER 5 HG SER 5 19.016 25.203 2.107 22 H SER 6 H SER 6 18.647 28.641 -1.039 23 HA SER 6 HA SER 6 16.119 28.059 0.324 24 HB2 SER 6 1HB SER 6 17.406 30.220 1.139 25 HB3 SER 6 2HB SER 6 16.726 30.913 -0.333 26 HG SER 6 HG SER 6 14.810 30.897 0.547 27 H GLY 7 H GLY 7 14.250 28.458 -0.917 28 HA2 GLY 7 1HA GLY 7 13.655 29.682 -3.147 29 HA3 GLY 7 2HA GLY 7 14.787 28.507 -3.800 30 HA PRO 8 HA PRO 8 11.401 25.767 -4.369 31 HB2 PRO 8 1HB PRO 8 12.754 23.418 -4.492 32 HB3 PRO 8 2HB PRO 8 12.772 24.606 -5.800 33 HG2 PRO 8 1HG PRO 8 14.807 24.114 -3.661 34 HG3 PRO 8 2HG PRO 8 15.053 24.421 -5.390 35 HD2 PRO 8 1HD PRO 8 15.366 26.344 -3.510 36 HD3 PRO 8 2HD PRO 8 14.791 26.698 -5.152 37 H ALA 9 H ALA 9 10.368 23.845 -3.409 38 HA ALA 9 HA ALA 9 10.343 24.011 -0.565 39 HB1 ALA 9 1HB ALA 9 8.259 23.479 -1.292 40 HB2 ALA 9 2HB ALA 9 8.853 22.492 -2.627 41 HB3 ALA 9 3HB ALA 9 8.853 21.847 -0.986 42 H ARG 10 H ARG 10 11.595 22.981 0.839 43 HA ARG 10 HA ARG 10 13.048 20.587 -0.070 44 HB2 ARG 10 1HB ARG 10 14.759 21.127 1.554 45 HB3 ARG 10 2HB ARG 10 14.459 22.529 0.537 46 HG2 ARG 10 1HG ARG 10 13.208 23.602 2.267 47 HG3 ARG 10 2HG ARG 10 13.258 22.150 3.268 48 HD2 ARG 10 1HD ARG 10 15.520 22.410 3.748 49 HD3 ARG 10 2HD ARG 10 15.788 23.472 2.366 50 HE ARG 10 HE ARG 10 14.011 24.764 4.067 51 HH11 ARG 10 2HH1 ARG 10 17.306 23.641 4.112 52 HH12 ARG 10 1HH1 ARG 10 17.844 24.861 5.219 53 HH21 ARG 10 2HH2 ARG 10 14.707 26.375 5.525 54 HH22 ARG 10 1HH2 ARG 10 16.365 26.415 6.022 55 H PHE 11 H PHE 11 12.875 18.712 1.036 56 HA PHE 11 HA PHE 11 10.685 18.224 2.682 57 HB2 PHE 11 1HB PHE 11 13.231 16.694 2.193 58 HB3 PHE 11 2HB PHE 11 11.995 16.092 3.292 59 HD1 PHE 11 1HD PHE 11 9.767 15.487 2.436 60 HD2 PHE 11 2HD PHE 11 12.945 16.610 -0.164 61 HE1 PHE 11 1HE PHE 11 8.553 14.507 0.533 62 HE2 PHE 11 2HE PHE 11 11.735 15.634 -2.070 63 HZ PHE 11 HZ PHE 11 9.536 14.581 -1.724 64 H THR 12 H THR 12 10.369 18.114 4.860 65 HA THR 12 HA THR 12 12.569 19.112 6.550 66 HB THR 12 HB THR 12 10.808 19.978 8.079 67 HG1 THR 12 1HG THR 12 8.665 20.158 7.059 68 HG21 THR 12 1HG2 THR 12 10.041 21.833 6.535 69 HG22 THR 12 2HG2 THR 12 10.862 20.970 5.235 70 HG23 THR 12 3HG2 THR 12 11.782 21.571 6.614 71 H GLN 13 H GLN 13 9.924 16.814 6.277 72 HA GLN 13 HA GLN 13 10.960 15.421 8.657 73 HB2 GLN 13 1HB GLN 13 8.197 15.888 7.664 74 HB3 GLN 13 2HB GLN 13 8.528 14.335 8.421 75 HG2 GLN 13 1HG GLN 13 9.209 16.944 9.738 76 HG3 GLN 13 2HG GLN 13 7.633 16.174 9.910 77 HE21 GLN 13 1HE2 GLN 13 7.754 15.695 12.045 78 HE22 GLN 13 2HE2 GLN 13 8.889 14.582 12.721 79 H ASP 14 H ASP 14 12.222 13.803 8.009 80 HA ASP 14 HA ASP 14 12.531 12.604 5.631 81 HB2 ASP 14 1HB ASP 14 13.058 10.455 6.933 82 HB3 ASP 14 2HB ASP 14 13.973 11.901 7.354 83 H LEU 15 H LEU 15 11.575 11.076 4.363 84 HA LEU 15 HA LEU 15 8.781 10.692 4.621 85 HB2 LEU 15 1HB LEU 15 10.392 10.653 2.537 86 HB3 LEU 15 2HB LEU 15 10.429 8.925 2.881 87 HG LEU 15 HG LEU 15 7.902 10.489 2.374 88 HD11 LEU 15 1HD1 LEU 15 7.981 9.217 0.171 89 HD12 LEU 15 2HD1 LEU 15 9.692 8.962 0.510 90 HD13 LEU 15 3HD1 LEU 15 9.062 10.600 0.340 91 HD21 LEU 15 1HD2 LEU 15 7.113 8.630 3.395 92 HD22 LEU 15 2HD2 LEU 15 8.551 7.679 3.024 93 HD23 LEU 15 3HD2 LEU 15 7.324 7.944 1.784 94 H LYS 16 H LYS 16 7.612 9.062 5.458 95 HA LYS 16 HA LYS 16 9.077 6.729 6.505 96 HB2 LYS 16 1HB LYS 16 7.061 8.505 7.772 97 HB3 LYS 16 2HB LYS 16 6.941 6.787 8.129 98 HG2 LYS 16 1HG LYS 16 9.443 8.418 8.500 99 HG3 LYS 16 2HG LYS 16 8.270 8.084 9.776 100 HD2 LYS 16 1HD LYS 16 9.808 6.009 8.213 101 HD3 LYS 16 2HD LYS 16 10.174 6.537 9.857 102 HE2 LYS 16 1HE LYS 16 7.640 5.874 10.239 103 HE3 LYS 16 2HE LYS 16 7.952 4.837 8.848 104 HZ1 LYS 16 1HZ LYS 16 9.150 4.750 11.532 105 HZ2 LYS 16 2HZ LYS 16 10.029 4.160 10.214 106 HZ3 LYS 16 3HZ LYS 16 8.526 3.486 10.596 107 H THR 17 H THR 17 7.449 4.885 7.017 108 HA THR 17 HA THR 17 5.228 4.735 5.153 109 HB THR 17 HB THR 17 7.050 4.009 3.728 110 HG1 THR 17 1HG THR 17 5.040 2.847 3.623 111 HG21 THR 17 1HG2 THR 17 8.301 3.146 5.951 112 HG22 THR 17 2HG2 THR 17 8.723 2.600 4.327 113 HG23 THR 17 3HG2 THR 17 7.672 1.615 5.345 114 H LYS 18 H LYS 18 4.271 2.392 5.294 115 HA LYS 18 HA LYS 18 4.414 1.485 8.092 116 HB2 LYS 18 1HB LYS 18 2.040 1.206 8.172 117 HB3 LYS 18 2HB LYS 18 2.359 2.839 7.601 118 HG2 LYS 18 1HG LYS 18 0.727 2.217 6.142 119 HG3 LYS 18 2HG LYS 18 2.153 1.700 5.239 120 HD2 LYS 18 1HD LYS 18 0.914 -0.208 5.086 121 HD3 LYS 18 2HD LYS 18 1.742 -0.536 6.610 122 HE2 LYS 18 1HE LYS 18 -0.992 0.714 6.371 123 HE3 LYS 18 2HE LYS 18 -0.695 -0.995 6.684 124 HZ1 LYS 18 1HZ LYS 18 -1.040 -0.055 8.773 125 HZ2 LYS 18 2HZ LYS 18 -0.114 1.318 8.430 126 HZ3 LYS 18 3HZ LYS 18 0.645 -0.176 8.665 127 H GLU 19 H GLU 19 3.554 -0.745 8.396 128 HA GLU 19 HA GLU 19 4.418 -2.429 6.155 129 HB2 GLU 19 1HB GLU 19 4.695 -4.204 7.804 130 HB3 GLU 19 2HB GLU 19 5.575 -2.763 8.295 131 HG2 GLU 19 1HG GLU 19 2.816 -3.297 9.318 132 HG3 GLU 19 2HG GLU 19 4.224 -4.059 10.055 133 H ALA 20 H ALA 20 3.089 -3.860 5.179 134 HA ALA 20 HA ALA 20 0.492 -4.471 6.352 135 HB1 ALA 20 1HB ALA 20 0.028 -2.473 5.070 136 HB2 ALA 20 2HB ALA 20 0.782 -3.181 3.642 137 HB3 ALA 20 3HB ALA 20 -0.708 -3.871 4.286 138 H SER 21 H SER 21 -0.704 -6.097 4.957 139 HA SER 21 HA SER 21 1.205 -8.139 4.140 140 HB2 SER 21 1HB SER 21 -0.665 -9.684 4.249 141 HB3 SER 21 2HB SER 21 -0.650 -8.695 5.709 142 HG SER 21 HG SER 21 -2.539 -8.882 3.753 143 H GLU 22 H GLU 22 0.407 -9.570 2.248 144 HA GLU 22 HA GLU 22 0.572 -8.083 -0.110 145 HB2 GLU 22 1HB GLU 22 -0.123 -10.920 0.526 146 HB3 GLU 22 2HB GLU 22 -0.381 -10.329 -1.109 147 HG2 GLU 22 1HG GLU 22 1.993 -9.648 -1.194 148 HG3 GLU 22 2HG GLU 22 2.222 -10.366 0.399 149 H GLY 23 H GLY 23 -0.915 -7.435 -1.638 150 HA2 GLY 23 1HA GLY 23 -3.005 -7.043 -2.577 151 HA3 GLY 23 2HA GLY 23 -3.727 -8.023 -1.310 152 H ALA 24 H ALA 24 -2.384 -6.466 0.812 153 HA ALA 24 HA ALA 24 -4.424 -4.586 1.293 154 HB1 ALA 24 1HB ALA 24 -3.436 -4.236 3.327 155 HB2 ALA 24 2HB ALA 24 -2.741 -5.802 2.908 156 HB3 ALA 24 3HB ALA 24 -1.801 -4.328 2.674 157 H THR 25 H THR 25 -3.453 -2.270 2.143 158 HA THR 25 HA THR 25 -1.959 -1.110 -0.113 159 HB THR 25 HB THR 25 -4.379 0.157 1.186 160 HG1 THR 25 1HG THR 25 -4.040 -1.436 -1.082 161 HG21 THR 25 1HG2 THR 25 -3.380 1.177 -1.378 162 HG22 THR 25 2HG2 THR 25 -2.282 1.421 -0.020 163 HG23 THR 25 3HG2 THR 25 -3.928 2.049 0.053 164 H ALA 26 H ALA 26 -0.223 -0.035 0.541 165 HA ALA 26 HA ALA 26 0.269 0.464 3.315 166 HB1 ALA 26 1HB ALA 26 1.791 0.469 0.855 167 HB2 ALA 26 2HB ALA 26 2.208 1.839 1.885 168 HB3 ALA 26 3HB ALA 26 2.327 0.195 2.513 169 H THR 27 H THR 27 1.396 2.767 3.720 170 HA THR 27 HA THR 27 0.043 4.991 2.511 171 HB THR 27 HB THR 27 -0.620 4.337 5.389 172 HG1 THR 27 1HG THR 27 -2.830 4.449 4.225 173 HG21 THR 27 1HG2 THR 27 -0.353 6.809 4.446 174 HG22 THR 27 2HG2 THR 27 -1.635 6.377 5.578 175 HG23 THR 27 3HG2 THR 27 -1.982 6.486 3.852 176 H LEU 28 H LEU 28 1.846 6.170 2.254 177 HA LEU 28 HA LEU 28 3.682 6.469 4.523 178 HB2 LEU 28 1HB LEU 28 4.051 7.243 1.633 179 HB3 LEU 28 2HB LEU 28 5.272 7.352 2.900 180 HG LEU 28 HG LEU 28 4.741 4.734 3.049 181 HD11 LEU 28 1HD1 LEU 28 3.525 3.975 1.359 182 HD12 LEU 28 2HD1 LEU 28 4.794 4.496 0.252 183 HD13 LEU 28 3HD1 LEU 28 3.457 5.581 0.633 184 HD21 LEU 28 1HD2 LEU 28 6.932 5.812 2.716 185 HD22 LEU 28 2HD2 LEU 28 6.571 5.976 0.997 186 HD23 LEU 28 3HD2 LEU 28 6.728 4.373 1.718 187 H GLN 29 H GLN 29 4.266 8.483 5.318 188 HA GLN 29 HA GLN 29 2.808 10.808 4.282 189 HB2 GLN 29 1HB GLN 29 2.837 9.815 7.125 190 HB3 GLN 29 2HB GLN 29 2.472 11.488 6.728 191 HG2 GLN 29 1HG GLN 29 0.569 10.799 5.410 192 HG3 GLN 29 2HG GLN 29 0.961 9.103 5.688 193 HE21 GLN 29 1HE2 GLN 29 -0.903 8.562 6.724 194 HE22 GLN 29 2HE2 GLN 29 -1.350 9.179 8.275 195 H CYS 30 H CYS 30 4.005 12.609 4.148 196 HA CYS 30 HA CYS 30 6.425 12.858 5.767 197 HB2 CYS 30 1HB CYS 30 7.783 13.458 3.809 198 HB3 CYS 30 2HB CYS 30 7.170 11.814 3.682 199 HG CYS 30 HG CYS 30 4.885 13.200 2.147 200 H GLU 31 H GLU 31 7.426 15.076 5.470 201 HA GLU 31 HA GLU 31 5.305 17.074 5.029 202 HB2 GLU 31 1HB GLU 31 6.248 16.552 7.451 203 HB3 GLU 31 2HB GLU 31 7.541 17.622 6.927 204 HG2 GLU 31 1HG GLU 31 5.975 19.405 6.538 205 HG3 GLU 31 2HG GLU 31 4.619 18.339 6.899 206 H LEU 32 H LEU 32 6.125 19.263 4.515 207 HA LEU 32 HA LEU 32 8.740 19.253 3.186 208 HB2 LEU 32 1HB LEU 32 6.155 20.199 1.958 209 HB3 LEU 32 2HB LEU 32 7.755 20.457 1.266 210 HG LEU 32 HG LEU 32 6.797 17.676 1.806 211 HD11 LEU 32 1HD1 LEU 32 5.706 19.561 -0.164 212 HD12 LEU 32 2HD1 LEU 32 5.023 18.071 0.488 213 HD13 LEU 32 3HD1 LEU 32 6.209 18.001 -0.815 214 HD21 LEU 32 1HD2 LEU 32 8.913 17.444 1.064 215 HD22 LEU 32 2HD2 LEU 32 8.924 19.020 0.272 216 HD23 LEU 32 3HD2 LEU 32 8.159 17.640 -0.518 217 H SER 33 H SER 33 9.437 21.490 2.577 218 HA SER 33 HA SER 33 9.272 23.192 4.828 219 HB2 SER 33 1HB SER 33 11.210 23.040 3.217 220 HB3 SER 33 2HB SER 33 10.241 23.962 2.068 221 HG SER 33 HG SER 33 11.077 25.614 3.067 222 H LYS 34 H LYS 34 7.572 23.087 1.776 223 HA LYS 34 HA LYS 34 5.521 24.817 2.758 224 HB2 LYS 34 1HB LYS 34 5.744 26.589 1.094 225 HB3 LYS 34 2HB LYS 34 7.177 26.509 2.110 226 HG2 LYS 34 1HG LYS 34 8.517 25.803 0.410 227 HG3 LYS 34 2HG LYS 34 7.200 24.992 -0.441 228 HD2 LYS 34 1HD LYS 34 6.277 27.258 -0.985 229 HD3 LYS 34 2HD LYS 34 7.753 27.954 -0.311 230 HE2 LYS 34 1HE LYS 34 7.889 25.857 -2.445 231 HE3 LYS 34 2HE LYS 34 7.592 27.543 -2.865 232 HZ1 LYS 34 1HZ LYS 34 9.748 27.932 -2.688 233 HZ2 LYS 34 2HZ LYS 34 10.034 26.312 -2.297 234 HZ3 LYS 34 3HZ LYS 34 9.740 27.438 -1.070 235 H VAL 35 H VAL 35 3.647 24.757 1.493 236 HA VAL 35 HA VAL 35 2.988 22.473 0.187 237 HB VAL 35 HB VAL 35 1.912 25.208 -0.519 238 HG11 VAL 35 1HG1 VAL 35 1.437 22.906 -1.856 239 HG12 VAL 35 2HG1 VAL 35 0.171 22.839 -0.628 240 HG13 VAL 35 3HG1 VAL 35 0.276 24.226 -1.714 241 HG21 VAL 35 1HG2 VAL 35 1.862 23.904 1.937 242 HG22 VAL 35 2HG2 VAL 35 0.841 25.252 1.434 243 HG23 VAL 35 3HG2 VAL 35 0.275 23.594 1.233 244 H ALA 36 H ALA 36 3.900 21.504 -1.494 245 HA ALA 36 HA ALA 36 4.216 22.926 -3.994 246 HB1 ALA 36 1HB ALA 36 6.482 22.867 -4.222 247 HB2 ALA 36 2HB ALA 36 6.377 23.087 -2.475 248 HB3 ALA 36 3HB ALA 36 6.668 21.482 -3.146 249 HA PRO 37 HA PRO 37 3.144 19.002 -5.650 250 HB2 PRO 37 1HB PRO 37 4.268 19.171 -8.116 251 HB3 PRO 37 2HB PRO 37 2.823 20.079 -7.654 252 HG2 PRO 37 1HG PRO 37 5.673 20.987 -7.773 253 HG3 PRO 37 2HG PRO 37 4.207 21.828 -8.311 254 HD2 PRO 37 1HD PRO 37 5.429 22.390 -5.961 255 HD3 PRO 37 2HD PRO 37 3.672 22.524 -6.181 256 H VAL 38 H VAL 38 3.961 17.043 -5.284 257 HA VAL 38 HA VAL 38 6.874 16.665 -5.529 258 HB VAL 38 HB VAL 38 6.779 14.994 -3.816 259 HG11 VAL 38 1HG1 VAL 38 5.023 17.068 -2.608 260 HG12 VAL 38 2HG1 VAL 38 6.532 16.375 -2.010 261 HG13 VAL 38 3HG1 VAL 38 6.562 17.575 -3.303 262 HG21 VAL 38 1HG2 VAL 38 4.552 14.605 -2.628 263 HG22 VAL 38 2HG2 VAL 38 3.802 15.314 -4.058 264 HG23 VAL 38 3HG2 VAL 38 4.770 13.847 -4.205 265 H GLU 39 H GLU 39 7.368 14.187 -5.748 266 HA GLU 39 HA GLU 39 5.463 12.768 -7.408 267 HB2 GLU 39 1HB GLU 39 6.582 14.186 -9.047 268 HB3 GLU 39 2HB GLU 39 8.152 13.635 -8.482 269 HG2 GLU 39 1HG GLU 39 7.790 11.452 -9.326 270 HG3 GLU 39 2HG GLU 39 6.087 11.784 -9.636 271 H TRP 40 H TRP 40 5.475 10.774 -6.634 272 HA TRP 40 HA TRP 40 7.735 9.755 -5.160 273 HB2 TRP 40 1HB TRP 40 5.176 8.329 -5.914 274 HB3 TRP 40 2HB TRP 40 6.323 7.851 -4.666 275 HD1 TRP 40 HD TRP 40 4.016 10.889 -5.414 276 HE1 TRP 40 1HE TRP 40 3.111 11.760 -3.168 277 HE3 TRP 40 3HE TRP 40 6.497 7.725 -2.257 278 HZ2 TRP 40 2HZ TRP 40 3.410 11.183 -0.421 279 HZ3 TRP 40 3HZ TRP 40 6.133 7.951 0.166 280 HH2 TRP 40 HH TRP 40 4.621 9.646 1.063 281 H LYS 41 H LYS 41 8.825 7.771 -5.630 282 HA LYS 41 HA LYS 41 8.609 6.754 -8.357 283 HB2 LYS 41 1HB LYS 41 10.921 8.263 -7.258 284 HB3 LYS 41 2HB LYS 41 11.286 6.842 -8.228 285 HG2 LYS 41 1HG LYS 41 9.514 8.002 -9.848 286 HG3 LYS 41 2HG LYS 41 10.124 9.439 -9.024 287 HD2 LYS 41 1HD LYS 41 12.415 8.800 -9.620 288 HD3 LYS 41 2HD LYS 41 11.797 7.372 -10.454 289 HE2 LYS 41 1HE LYS 41 10.890 8.610 -12.177 290 HE3 LYS 41 2HE LYS 41 10.763 10.071 -11.200 291 HZ1 LYS 41 1HZ LYS 41 12.811 9.339 -12.957 292 HZ2 LYS 41 2HZ LYS 41 13.466 9.376 -11.399 293 HZ3 LYS 41 3HZ LYS 41 12.688 10.743 -12.021 294 H LYS 42 H LYS 42 9.222 4.631 -8.584 295 HA LYS 42 HA LYS 42 10.009 3.256 -6.100 296 HB2 LYS 42 1HB LYS 42 7.718 2.748 -7.009 297 HB3 LYS 42 2HB LYS 42 8.498 2.066 -8.430 298 HG2 LYS 42 1HG LYS 42 9.457 0.309 -7.186 299 HG3 LYS 42 2HG LYS 42 9.077 1.090 -5.650 300 HD2 LYS 42 1HD LYS 42 6.824 0.560 -5.792 301 HD3 LYS 42 2HD LYS 42 6.881 0.351 -7.544 302 HE2 LYS 42 1HE LYS 42 8.006 -1.492 -5.441 303 HE3 LYS 42 2HE LYS 42 6.653 -1.808 -6.526 304 HZ1 LYS 42 1HZ LYS 42 8.310 -1.528 -8.385 305 HZ2 LYS 42 2HZ LYS 42 8.490 -2.918 -7.439 306 HZ3 LYS 42 3HZ LYS 42 9.526 -1.600 -7.211 307 H GLY 43 H GLY 43 11.708 4.448 -8.262 308 HA2 GLY 43 1HA GLY 43 13.929 3.109 -8.348 309 HA3 GLY 43 2HA GLY 43 12.970 2.025 -9.344 310 HA PRO 44 HA PRO 44 14.954 4.767 -12.376 311 HB2 PRO 44 1HB PRO 44 14.850 2.952 -14.392 312 HB3 PRO 44 2HB PRO 44 16.120 2.951 -13.163 313 HG2 PRO 44 1HG PRO 44 13.648 1.271 -13.334 314 HG3 PRO 44 2HG PRO 44 15.299 0.791 -12.900 315 HD2 PRO 44 1HD PRO 44 13.373 1.227 -11.046 316 HD3 PRO 44 2HD PRO 44 15.089 1.562 -10.738 317 H GLU 45 H GLU 45 11.870 3.787 -11.858 318 HA GLU 45 HA GLU 45 10.890 4.964 -14.375 319 HB2 GLU 45 1HB GLU 45 9.822 2.780 -12.634 320 HB3 GLU 45 2HB GLU 45 8.694 3.762 -13.558 321 HG2 GLU 45 1HG GLU 45 10.974 2.151 -14.680 322 HG3 GLU 45 2HG GLU 45 9.264 1.731 -14.751 323 H THR 46 H THR 46 8.634 5.968 -14.067 324 HA THR 46 HA THR 46 8.675 7.602 -11.614 325 HB THR 46 HB THR 46 7.415 8.508 -14.190 326 HG1 THR 46 1HG THR 46 9.416 9.596 -14.598 327 HG21 THR 46 1HG2 THR 46 6.840 10.227 -12.889 328 HG22 THR 46 2HG2 THR 46 8.552 10.625 -12.750 329 HG23 THR 46 3HG2 THR 46 7.787 9.590 -11.545 330 H LEU 47 H LEU 47 6.709 8.108 -10.620 331 HA LEU 47 HA LEU 47 4.438 6.430 -11.461 332 HB2 LEU 47 1HB LEU 47 5.209 7.327 -8.688 333 HB3 LEU 47 2HB LEU 47 3.766 6.399 -9.093 334 HG LEU 47 HG LEU 47 6.438 5.284 -9.808 335 HD11 LEU 47 1HD1 LEU 47 6.524 6.123 -7.427 336 HD12 LEU 47 2HD1 LEU 47 6.816 4.398 -7.653 337 HD13 LEU 47 3HD1 LEU 47 5.250 4.958 -7.065 338 HD21 LEU 47 1HD2 LEU 47 3.685 4.401 -9.612 339 HD22 LEU 47 2HD2 LEU 47 4.782 3.349 -8.717 340 HD23 LEU 47 3HD2 LEU 47 5.056 3.654 -10.433 341 H ARG 48 H ARG 48 2.295 7.267 -10.946 342 HA ARG 48 HA ARG 48 2.111 10.143 -10.504 343 HB2 ARG 48 1HB ARG 48 0.926 8.799 -12.940 344 HB3 ARG 48 2HB ARG 48 0.691 10.479 -12.477 345 HG2 ARG 48 1HG ARG 48 3.467 9.487 -12.862 346 HG3 ARG 48 2HG ARG 48 2.466 9.794 -14.283 347 HD2 ARG 48 1HD ARG 48 3.683 11.788 -13.831 348 HD3 ARG 48 2HD ARG 48 2.011 12.076 -13.354 349 HE ARG 48 HE ARG 48 3.744 11.185 -11.223 350 HH11 ARG 48 2HH1 ARG 48 2.425 13.910 -12.942 351 HH12 ARG 48 1HH1 ARG 48 2.681 15.022 -11.638 352 HH21 ARG 48 2HH2 ARG 48 4.086 12.639 -9.500 353 HH22 ARG 48 1HH2 ARG 48 3.627 14.298 -9.681 354 H ASP 49 H ASP 49 0.230 10.775 -9.537 355 HA ASP 49 HA ASP 49 -1.254 8.939 -8.078 356 HB2 ASP 49 1HB ASP 49 -1.434 11.061 -7.208 357 HB3 ASP 49 2HB ASP 49 -1.602 11.812 -8.793 358 H GLY 50 H GLY 50 -3.084 7.792 -8.413 359 HA2 GLY 50 1HA GLY 50 -5.257 7.640 -9.563 360 HA3 GLY 50 2HA GLY 50 -4.421 8.140 -11.026 361 H GLY 51 H GLY 51 -5.721 5.550 -9.480 362 HA2 GLY 51 1HA GLY 51 -5.766 3.405 -10.531 363 HA3 GLY 51 2HA GLY 51 -4.142 3.703 -11.132 364 H ARG 52 H ARG 52 -2.862 2.194 -10.288 365 HA ARG 52 HA ARG 52 -3.310 0.841 -7.873 366 HB2 ARG 52 1HB ARG 52 -1.725 0.343 -9.939 367 HB3 ARG 52 2HB ARG 52 -0.531 1.134 -8.918 368 HG2 ARG 52 1HG ARG 52 -0.761 -0.498 -7.223 369 HG3 ARG 52 2HG ARG 52 -2.208 -1.173 -7.976 370 HD2 ARG 52 1HD ARG 52 0.529 -1.181 -9.239 371 HD3 ARG 52 2HD ARG 52 -0.143 -2.528 -8.321 372 HE ARG 52 HE ARG 52 -1.840 -1.669 -10.465 373 HH11 ARG 52 2HH1 ARG 52 0.896 -3.649 -9.623 374 HH12 ARG 52 1HH1 ARG 52 0.686 -4.735 -10.956 375 HH21 ARG 52 2HH2 ARG 52 -2.127 -3.092 -12.225 376 HH22 ARG 52 1HH2 ARG 52 -1.033 -4.417 -12.436 377 H TYR 53 H TYR 53 -1.485 3.746 -8.620 378 HA TYR 53 HA TYR 53 -0.732 3.985 -5.787 379 HB2 TYR 53 1HB TYR 53 0.384 5.453 -8.186 380 HB3 TYR 53 2HB TYR 53 0.954 5.603 -6.527 381 HD1 TYR 53 1HD TYR 53 1.882 3.489 -5.404 382 HD2 TYR 53 2HD TYR 53 1.294 3.835 -9.604 383 HE1 TYR 53 1HE TYR 53 3.454 1.633 -5.771 384 HE2 TYR 53 2HE TYR 53 2.864 1.979 -9.982 385 HH TYR 53 HH TYR 53 5.032 0.970 -7.987 386 H SER 54 H SER 54 -1.918 5.298 -4.588 387 HA SER 54 HA SER 54 -3.321 7.531 -5.903 388 HB2 SER 54 1HB SER 54 -4.142 5.622 -3.774 389 HB3 SER 54 2HB SER 54 -4.715 7.283 -3.630 390 HG SER 54 HG SER 54 -6.182 6.066 -4.835 391 H LEU 55 H LEU 55 -2.083 9.284 -5.591 392 HA LEU 55 HA LEU 55 -0.799 9.708 -3.001 393 HB2 LEU 55 1HB LEU 55 -0.546 11.674 -5.207 394 HB3 LEU 55 2HB LEU 55 0.655 11.123 -4.041 395 HG LEU 55 HG LEU 55 -0.272 9.620 -6.488 396 HD11 LEU 55 1HD1 LEU 55 1.701 11.644 -6.113 397 HD12 LEU 55 2HD1 LEU 55 1.284 10.757 -7.578 398 HD13 LEU 55 3HD1 LEU 55 2.504 10.116 -6.477 399 HD21 LEU 55 1HD2 LEU 55 1.971 8.371 -5.659 400 HD22 LEU 55 2HD2 LEU 55 0.340 7.847 -5.240 401 HD23 LEU 55 3HD2 LEU 55 1.269 8.829 -4.107 402 H LYS 56 H LYS 56 -1.081 11.626 -1.797 403 HA LYS 56 HA LYS 56 -3.434 13.244 -2.487 404 HB2 LYS 56 1HB LYS 56 -3.718 11.338 -0.667 405 HB3 LYS 56 2HB LYS 56 -2.967 12.539 0.376 406 HG2 LYS 56 1HG LYS 56 -4.733 14.137 -0.213 407 HG3 LYS 56 2HG LYS 56 -5.496 12.903 -1.219 408 HD2 LYS 56 1HD LYS 56 -6.675 12.780 0.789 409 HD3 LYS 56 2HD LYS 56 -5.502 11.467 0.917 410 HE2 LYS 56 1HE LYS 56 -4.016 13.037 2.180 411 HE3 LYS 56 2HE LYS 56 -5.343 14.198 2.183 412 HZ1 LYS 56 1HZ LYS 56 -5.460 11.468 3.349 413 HZ2 LYS 56 2HZ LYS 56 -6.693 12.625 3.396 414 HZ3 LYS 56 3HZ LYS 56 -5.248 12.896 4.232 415 H GLN 57 H GLN 57 -3.080 15.364 -2.333 416 HA GLN 57 HA GLN 57 -0.556 16.274 -1.198 417 HB2 GLN 57 1HB GLN 57 -1.270 17.007 -3.469 418 HB3 GLN 57 2HB GLN 57 -2.634 17.840 -2.735 419 HG2 GLN 57 1HG GLN 57 -1.196 19.579 -2.898 420 HG3 GLN 57 2HG GLN 57 -0.716 18.971 -1.314 421 HE21 GLN 57 1HE2 GLN 57 1.391 19.018 -1.080 422 HE22 GLN 57 2HE2 GLN 57 2.565 18.648 -2.292 423 H ASP 58 H ASP 58 -0.417 18.007 0.294 424 HA ASP 58 HA ASP 58 -2.739 19.088 1.559 425 HB2 ASP 58 1HB ASP 58 -2.459 16.689 2.494 426 HB3 ASP 58 2HB ASP 58 -1.072 17.348 3.358 427 H GLY 59 H GLY 59 -2.181 20.572 3.331 428 HA2 GLY 59 1HA GLY 59 -0.218 22.364 2.731 429 HA3 GLY 59 2HA GLY 59 -0.839 22.140 4.360 430 H THR 60 H THR 60 1.821 21.723 2.256 431 HA THR 60 HA THR 60 3.931 20.895 2.524 432 HB THR 60 HB THR 60 4.998 21.317 4.681 433 HG1 THR 60 1HG THR 60 2.459 22.103 5.681 434 HG21 THR 60 1HG2 THR 60 4.768 23.659 4.712 435 HG22 THR 60 2HG2 THR 60 3.084 23.585 4.195 436 HG23 THR 60 3HG2 THR 60 4.373 23.192 3.059 437 H ARG 61 H ARG 61 1.841 18.941 2.599 438 HA ARG 61 HA ARG 61 3.308 16.791 3.870 439 HB2 ARG 61 1HB ARG 61 0.567 17.642 4.752 440 HB3 ARG 61 2HB ARG 61 1.059 15.957 4.871 441 HG2 ARG 61 1HG ARG 61 2.883 16.542 6.328 442 HG3 ARG 61 2HG ARG 61 2.537 18.261 6.124 443 HD2 ARG 61 1HD ARG 61 1.620 17.586 8.218 444 HD3 ARG 61 2HD ARG 61 0.276 17.834 7.104 445 HE ARG 61 HE ARG 61 0.798 15.185 6.882 446 HH11 ARG 61 2HH1 ARG 61 0.182 17.299 9.579 447 HH12 ARG 61 1HH1 ARG 61 -0.555 16.064 10.546 448 HH21 ARG 61 2HH2 ARG 61 -0.169 13.551 8.145 449 HH22 ARG 61 1HH2 ARG 61 -0.753 13.932 9.730 450 H CYS 62 H CYS 62 2.831 14.750 3.016 451 HA CYS 62 HA CYS 62 0.857 14.648 0.850 452 HB2 CYS 62 1HB CYS 62 3.730 13.729 0.606 453 HB3 CYS 62 2HB CYS 62 2.477 13.483 -0.604 454 HG CYS 62 HG CYS 62 3.650 16.541 0.393 455 H GLU 63 H GLU 63 0.004 12.601 0.422 456 HA GLU 63 HA GLU 63 0.809 10.454 2.262 457 HB2 GLU 63 1HB GLU 63 -1.186 11.479 3.194 458 HB3 GLU 63 2HB GLU 63 -2.016 11.336 1.651 459 HG2 GLU 63 1HG GLU 63 -1.867 8.884 1.829 460 HG3 GLU 63 2HG GLU 63 -1.118 9.069 3.414 461 H LEU 64 H LEU 64 1.575 8.883 1.013 462 HA LEU 64 HA LEU 64 0.435 8.443 -1.640 463 HB2 LEU 64 1HB LEU 64 2.713 8.422 -1.861 464 HB3 LEU 64 2HB LEU 64 2.968 7.706 -0.271 465 HG LEU 64 HG LEU 64 2.214 5.527 -1.178 466 HD11 LEU 64 1HD1 LEU 64 2.583 6.294 -3.963 467 HD12 LEU 64 2HD1 LEU 64 1.155 7.018 -3.224 468 HD13 LEU 64 3HD1 LEU 64 1.357 5.266 -3.220 469 HD21 LEU 64 1HD2 LEU 64 4.402 6.428 -2.979 470 HD22 LEU 64 2HD2 LEU 64 4.287 4.985 -1.972 471 HD23 LEU 64 3HD2 LEU 64 4.647 6.548 -1.237 472 H GLN 65 H GLN 65 -0.544 6.556 -2.276 473 HA GLN 65 HA GLN 65 -0.975 4.509 -0.209 474 HB2 GLN 65 1HB GLN 65 -2.986 6.035 -1.788 475 HB3 GLN 65 2HB GLN 65 -3.313 4.336 -1.474 476 HG2 GLN 65 1HG GLN 65 -2.770 4.962 0.988 477 HG3 GLN 65 2HG GLN 65 -3.096 6.607 0.445 478 HE21 GLN 65 1HE2 GLN 65 -4.428 3.564 1.283 479 HE22 GLN 65 2HE2 GLN 65 -6.092 3.988 1.097 480 H ILE 66 H ILE 66 -0.042 2.713 -0.923 481 HA ILE 66 HA ILE 66 0.086 2.176 -3.790 482 HB ILE 66 HB ILE 66 1.349 0.630 -1.525 483 HG12 ILE 66 1HG1 ILE 66 2.828 2.471 -3.377 484 HG13 ILE 66 2HG1 ILE 66 2.035 3.114 -1.943 485 HG21 ILE 66 1HG2 ILE 66 1.418 0.412 -4.491 486 HG22 ILE 66 2HG2 ILE 66 2.880 0.030 -3.582 487 HG23 ILE 66 3HG2 ILE 66 1.388 -0.855 -3.265 488 HD11 ILE 66 1HD1 ILE 66 3.954 2.672 -0.910 489 HD12 ILE 66 2HD1 ILE 66 3.436 0.986 -0.946 490 HD13 ILE 66 3HD1 ILE 66 4.508 1.607 -2.201 491 H HIS 67 H HIS 67 -1.936 1.466 -4.357 492 HA HIS 67 HA HIS 67 -3.355 -0.504 -2.831 493 HB2 HIS 67 1HB HIS 67 -3.814 0.606 -5.606 494 HB3 HIS 67 2HB HIS 67 -4.906 -0.516 -4.799 495 HD1 HIS 67 1HD HIS 67 -5.835 0.449 -2.387 496 HD2 HIS 67 2HD HIS 67 -4.406 3.206 -5.148 497 HE1 HIS 67 1HE HIS 67 -6.785 2.667 -1.677 498 HE2 HIS 67 2HE HIS 67 -5.976 4.305 -3.411 499 H ASP 68 H ASP 68 -3.586 -2.669 -3.215 500 HA ASP 68 HA ASP 68 -3.185 -4.748 -4.069 501 HB2 ASP 68 1HB ASP 68 -1.807 -3.468 -6.425 502 HB3 ASP 68 2HB ASP 68 -2.595 -5.041 -6.347 503 H LEU 69 H LEU 69 -1.515 -3.820 -2.163 504 HA LEU 69 HA LEU 69 1.200 -3.689 -2.671 505 HB2 LEU 69 1HB LEU 69 -0.446 -4.528 -0.345 506 HB3 LEU 69 2HB LEU 69 1.278 -4.891 -0.310 507 HG LEU 69 HG LEU 69 0.146 -2.123 -0.693 508 HD11 LEU 69 1HD1 LEU 69 0.341 -3.722 1.683 509 HD12 LEU 69 2HD1 LEU 69 -0.300 -2.092 1.479 510 HD13 LEU 69 3HD1 LEU 69 1.419 -2.330 1.791 511 HD21 LEU 69 1HD2 LEU 69 2.631 -1.811 0.288 512 HD22 LEU 69 2HD2 LEU 69 2.259 -1.847 -1.436 513 HD23 LEU 69 3HD2 LEU 69 2.848 -3.301 -0.629 514 H SER 70 H SER 70 2.894 -5.267 -2.396 515 HA SER 70 HA SER 70 2.296 -8.067 -2.430 516 HB2 SER 70 1HB SER 70 1.904 -7.048 -4.848 517 HB3 SER 70 2HB SER 70 3.660 -7.184 -4.937 518 HG SER 70 HG SER 70 2.731 -9.087 -5.682 519 H VAL 71 H VAL 71 4.178 -9.383 -2.322 520 HA VAL 71 HA VAL 71 6.261 -8.402 -0.803 521 HB VAL 71 HB VAL 71 7.550 -10.454 -1.710 522 HG11 VAL 71 1HG1 VAL 71 4.999 -11.393 -0.566 523 HG12 VAL 71 2HG1 VAL 71 6.656 -11.646 -0.012 524 HG13 VAL 71 3HG1 VAL 71 5.831 -10.125 0.333 525 HG21 VAL 71 1HG2 VAL 71 6.621 -11.800 -3.248 526 HG22 VAL 71 2HG2 VAL 71 4.996 -11.595 -2.592 527 HG23 VAL 71 3HG2 VAL 71 5.670 -10.378 -3.676 528 H ALA 72 H ALA 72 5.904 -8.444 -4.277 529 HA ALA 72 HA ALA 72 8.627 -7.869 -4.894 530 HB1 ALA 72 1HB ALA 72 7.971 -8.183 -6.998 531 HB2 ALA 72 2HB ALA 72 6.383 -8.583 -6.343 532 HB3 ALA 72 3HB ALA 72 6.728 -6.938 -6.878 533 H ASP 73 H ASP 73 5.843 -5.949 -4.056 534 HA ASP 73 HA ASP 73 6.810 -3.454 -4.999 535 HB2 ASP 73 1HB ASP 73 4.638 -4.347 -3.163 536 HB3 ASP 73 2HB ASP 73 5.138 -2.660 -3.086 537 H ALA 74 H ALA 74 7.198 -5.235 -2.003 538 HA ALA 74 HA ALA 74 8.177 -3.244 -0.337 539 HB1 ALA 74 1HB ALA 74 8.148 -5.010 1.008 540 HB2 ALA 74 2HB ALA 74 8.128 -6.119 -0.364 541 HB3 ALA 74 3HB ALA 74 9.664 -5.531 0.271 542 H GLY 75 H GLY 75 9.592 -1.787 -1.189 543 HA2 GLY 75 1HA GLY 75 12.309 -2.738 -1.622 544 HA3 GLY 75 2HA GLY 75 11.551 -1.942 -2.993 545 H GLU 76 H GLU 76 12.069 0.123 -3.186 546 HA GLU 76 HA GLU 76 12.277 1.772 -0.774 547 HB2 GLU 76 1HB GLU 76 14.565 1.046 -1.411 548 HB3 GLU 76 2HB GLU 76 14.335 1.788 -2.988 549 HG2 GLU 76 1HG GLU 76 14.295 3.956 -2.081 550 HG3 GLU 76 2HG GLU 76 14.096 3.349 -0.438 551 H TYR 77 H TYR 77 10.761 3.268 -1.038 552 HA TYR 77 HA TYR 77 10.164 4.266 -3.723 553 HB2 TYR 77 1HB TYR 77 8.695 4.498 -1.094 554 HB3 TYR 77 2HB TYR 77 8.196 5.345 -2.554 555 HD1 TYR 77 1HD TYR 77 8.666 1.998 -1.053 556 HD2 TYR 77 2HD TYR 77 6.998 4.226 -4.271 557 HE1 TYR 77 1HE TYR 77 7.398 0.013 -1.762 558 HE2 TYR 77 2HE TYR 77 5.725 2.248 -4.988 559 HH TYR 77 HH TYR 77 4.892 0.168 -4.087 560 H SER 78 H SER 78 11.121 6.059 -4.386 561 HA SER 78 HA SER 78 12.010 8.019 -2.380 562 HB2 SER 78 1HB SER 78 12.974 7.857 -5.235 563 HB3 SER 78 2HB SER 78 13.731 8.689 -3.876 564 HG SER 78 HG SER 78 14.768 6.709 -4.333 565 H CYS 79 H CYS 79 11.360 10.111 -2.485 566 HA CYS 79 HA CYS 79 9.489 10.816 -4.649 567 HB2 CYS 79 1HB CYS 79 8.653 10.504 -2.174 568 HB3 CYS 79 2HB CYS 79 9.338 12.110 -1.954 569 HG CYS 79 HG CYS 79 7.746 12.984 -4.310 570 H MET 80 H MET 80 10.041 12.503 -5.857 571 HA MET 80 HA MET 80 12.232 14.221 -4.932 572 HB2 MET 80 1HB MET 80 11.114 13.775 -7.705 573 HB3 MET 80 2HB MET 80 12.435 14.870 -7.321 574 HG2 MET 80 1HG MET 80 13.738 12.953 -6.482 575 HG3 MET 80 2HG MET 80 12.428 11.882 -6.974 576 HE1 MET 80 1HE MET 80 13.333 10.663 -10.008 577 HE2 MET 80 2HE MET 80 14.808 10.658 -9.041 578 HE3 MET 80 3HE MET 80 13.240 10.447 -8.260 579 H CYS 81 H CYS 81 11.905 16.298 -4.444 580 HA CYS 81 HA CYS 81 9.449 17.604 -5.389 581 HB2 CYS 81 1HB CYS 81 9.016 16.904 -3.102 582 HB3 CYS 81 2HB CYS 81 10.517 17.645 -2.560 583 HG CYS 81 HG CYS 81 8.796 19.968 -4.053 584 H GLY 82 H GLY 82 10.344 19.008 -6.806 585 HA2 GLY 82 1HA GLY 82 11.358 20.975 -7.454 586 HA3 GLY 82 2HA GLY 82 11.765 21.261 -5.768 587 H GLN 83 H GLN 83 13.704 20.367 -4.920 588 HA GLN 83 HA GLN 83 15.630 19.493 -6.968 589 HB2 GLN 83 1HB GLN 83 16.030 21.514 -4.764 590 HB3 GLN 83 2HB GLN 83 17.366 20.762 -5.625 591 HG2 GLN 83 1HG GLN 83 16.602 21.705 -7.712 592 HG3 GLN 83 2HG GLN 83 15.182 22.381 -6.915 593 HE21 GLN 83 1HE2 GLN 83 16.148 24.329 -7.987 594 HE22 GLN 83 2HE2 GLN 83 17.282 25.252 -7.067 595 H GLU 84 H GLU 84 14.757 19.511 -3.544 596 HA GLU 84 HA GLU 84 16.735 17.667 -2.708 597 HB2 GLU 84 1HB GLU 84 14.125 18.580 -1.525 598 HB3 GLU 84 2HB GLU 84 15.093 17.334 -0.750 599 HG2 GLU 84 1HG GLU 84 15.503 19.540 0.207 600 HG3 GLU 84 2HG GLU 84 16.953 18.865 -0.535 601 H ARG 85 H ARG 85 15.870 15.563 -1.527 602 HA ARG 85 HA ARG 85 13.772 14.140 -2.831 603 HB2 ARG 85 1HB ARG 85 15.434 14.046 -4.629 604 HB3 ARG 85 2HB ARG 85 16.614 13.370 -3.514 605 HG2 ARG 85 1HG ARG 85 15.101 11.417 -3.202 606 HG3 ARG 85 2HG ARG 85 14.072 12.080 -4.473 607 HD2 ARG 85 1HD ARG 85 15.391 10.616 -5.666 608 HD3 ARG 85 2HD ARG 85 16.283 12.125 -5.852 609 HE ARG 85 HE ARG 85 17.141 10.583 -3.594 610 HH11 ARG 85 2HH1 ARG 85 17.472 11.012 -7.033 611 HH12 ARG 85 1HH1 ARG 85 19.056 10.315 -7.099 612 HH21 ARG 85 2HH2 ARG 85 19.227 9.663 -3.668 613 HH22 ARG 85 1HH2 ARG 85 20.053 9.546 -5.185 614 H THR 86 H THR 86 13.309 12.166 -1.834 615 HA THR 86 HA THR 86 15.052 11.331 0.369 616 HB THR 86 HB THR 86 13.352 12.841 1.343 617 HG1 THR 86 1HG THR 86 12.377 10.874 2.655 618 HG21 THR 86 1HG2 THR 86 11.005 12.170 1.388 619 HG22 THR 86 2HG2 THR 86 11.371 10.783 0.362 620 HG23 THR 86 3HG2 THR 86 11.548 12.419 -0.271 621 H SER 87 H SER 87 14.411 9.196 1.263 622 HA SER 87 HA SER 87 12.936 7.540 -0.664 623 HB2 SER 87 1HB SER 87 15.576 6.731 0.575 624 HB3 SER 87 2HB SER 87 14.636 5.819 -0.607 625 HG SER 87 HG SER 87 16.390 7.010 -1.537 626 H ALA 88 H ALA 88 11.964 5.675 0.197 627 HA ALA 88 HA ALA 88 12.105 5.287 3.090 628 HB1 ALA 88 1HB ALA 88 9.360 5.101 2.342 629 HB2 ALA 88 2HB ALA 88 10.117 6.162 3.531 630 HB3 ALA 88 3HB ALA 88 9.984 6.675 1.849 631 H THR 89 H THR 89 11.977 3.196 3.674 632 HA THR 89 HA THR 89 11.553 1.232 1.545 633 HB THR 89 HB THR 89 12.702 0.830 4.315 634 HG1 THR 89 1HG THR 89 14.052 2.099 2.954 635 HG21 THR 89 1HG2 THR 89 13.558 -1.180 2.565 636 HG22 THR 89 2HG2 THR 89 11.826 -1.013 2.278 637 HG23 THR 89 3HG2 THR 89 12.422 -1.344 3.904 638 H LEU 90 H LEU 90 9.542 0.494 1.359 639 HA LEU 90 HA LEU 90 7.713 0.493 3.587 640 HB2 LEU 90 1HB LEU 90 6.714 1.052 1.554 641 HB3 LEU 90 2HB LEU 90 7.521 -0.258 0.694 642 HG LEU 90 HG LEU 90 6.047 -1.789 2.203 643 HD11 LEU 90 1HD1 LEU 90 4.248 0.608 2.123 644 HD12 LEU 90 2HD1 LEU 90 5.273 0.265 3.515 645 HD13 LEU 90 3HD1 LEU 90 4.047 -0.900 3.016 646 HD21 LEU 90 1HD2 LEU 90 4.998 -2.185 0.283 647 HD22 LEU 90 2HD2 LEU 90 5.837 -0.783 -0.381 648 HD23 LEU 90 3HD2 LEU 90 4.222 -0.602 0.306 649 H THR 91 H THR 91 6.620 -1.361 4.401 650 HA THR 91 HA THR 91 8.206 -3.834 4.169 651 HB THR 91 HB THR 91 6.506 -2.946 6.507 652 HG1 THR 91 1HG THR 91 9.279 -3.231 6.700 653 HG21 THR 91 1HG2 THR 91 8.104 -4.846 7.505 654 HG22 THR 91 2HG2 THR 91 7.975 -5.434 5.847 655 HG23 THR 91 3HG2 THR 91 6.520 -5.201 6.815 656 H VAL 92 H VAL 92 7.233 -5.591 3.391 657 HA VAL 92 HA VAL 92 4.288 -5.675 3.371 658 HB VAL 92 HB VAL 92 6.104 -6.646 1.160 659 HG11 VAL 92 1HG1 VAL 92 4.301 -7.549 0.112 660 HG12 VAL 92 2HG1 VAL 92 3.759 -7.747 1.779 661 HG13 VAL 92 3HG1 VAL 92 3.172 -6.391 0.815 662 HG21 VAL 92 1HG2 VAL 92 6.109 -4.468 0.606 663 HG22 VAL 92 2HG2 VAL 92 4.467 -4.784 0.045 664 HG23 VAL 92 3HG2 VAL 92 4.735 -4.096 1.647 665 H ARG 93 H ARG 93 3.360 -7.547 3.999 666 HA ARG 93 HA ARG 93 5.169 -9.757 4.710 667 HB2 ARG 93 1HB ARG 93 2.738 -8.616 5.988 668 HB3 ARG 93 2HB ARG 93 2.978 -10.353 6.119 669 HG2 ARG 93 1HG ARG 93 4.046 -9.666 8.006 670 HG3 ARG 93 2HG ARG 93 5.394 -9.620 6.868 671 HD2 ARG 93 1HD ARG 93 4.859 -7.197 6.487 672 HD3 ARG 93 2HD ARG 93 3.713 -7.311 7.822 673 HE ARG 93 HE ARG 93 6.556 -7.112 8.011 674 HH11 ARG 93 2HH1 ARG 93 3.711 -8.379 9.568 675 HH12 ARG 93 1HH1 ARG 93 4.418 -8.379 11.150 676 HH21 ARG 93 2HH2 ARG 93 7.497 -7.107 10.089 677 HH22 ARG 93 1HH2 ARG 93 6.571 -7.655 11.445 678 H ALA 94 H ALA 94 5.078 -11.448 3.401 679 HA ALA 94 HA ALA 94 3.211 -11.830 1.367 680 HB1 ALA 94 1HB ALA 94 4.368 -14.326 2.285 681 HB2 ALA 94 2HB ALA 94 4.586 -13.472 0.757 682 HB3 ALA 94 3HB ALA 94 5.569 -13.041 2.156 683 H LEU 95 H LEU 95 1.538 -13.381 1.103 684 HA LEU 95 HA LEU 95 -0.291 -13.518 3.218 685 HB2 LEU 95 1HB LEU 95 -0.078 -15.004 0.617 686 HB3 LEU 95 2HB LEU 95 -1.402 -15.283 1.747 687 HG LEU 95 HG LEU 95 -0.823 -12.882 0.060 688 HD11 LEU 95 1HD1 LEU 95 -3.103 -14.754 0.528 689 HD12 LEU 95 2HD1 LEU 95 -2.359 -14.247 -0.988 690 HD13 LEU 95 3HD1 LEU 95 -3.403 -13.135 -0.104 691 HD21 LEU 95 1HD2 LEU 95 -2.271 -12.943 2.688 692 HD22 LEU 95 2HD2 LEU 95 -2.679 -11.773 1.433 693 HD23 LEU 95 3HD2 LEU 95 -1.054 -11.801 2.120 694 HA PRO 96 HA PRO 96 0.862 -17.029 5.585 695 HB2 PRO 96 1HB PRO 96 -1.562 -18.040 6.271 696 HB3 PRO 96 2HB PRO 96 -0.915 -16.546 6.959 697 HG2 PRO 96 1HG PRO 96 -2.895 -16.910 4.743 698 HG3 PRO 96 2HG PRO 96 -2.923 -15.757 6.090 699 HD2 PRO 96 1HD PRO 96 -2.133 -15.064 3.594 700 HD3 PRO 96 2HD PRO 96 -1.449 -14.319 5.054 701 H ALA 97 H ALA 97 1.714 -18.856 4.833 702 HA ALA 97 HA ALA 97 0.329 -20.340 2.728 703 HB1 ALA 97 1HB ALA 97 2.840 -21.509 3.338 704 HB2 ALA 97 2HB ALA 97 2.366 -20.612 1.895 705 HB3 ALA 97 3HB ALA 97 3.053 -19.759 3.277 706 H ARG 98 H ARG 98 -0.418 -22.388 2.964 707 HA ARG 98 HA ARG 98 -1.199 -23.346 5.436 708 HB2 ARG 98 1HB ARG 98 -1.902 -24.046 3.022 709 HB3 ARG 98 2HB ARG 98 -0.625 -25.243 3.185 710 HG2 ARG 98 1HG ARG 98 -2.534 -26.382 3.842 711 HG3 ARG 98 2HG ARG 98 -1.795 -25.901 5.371 712 HD2 ARG 98 1HD ARG 98 -3.316 -23.802 5.129 713 HD3 ARG 98 2HD ARG 98 -4.229 -24.818 4.015 714 HE ARG 98 HE ARG 98 -3.801 -26.241 6.392 715 HH11 ARG 98 2HH1 ARG 98 -5.577 -23.491 5.208 716 HH12 ARG 98 1HH1 ARG 98 -6.853 -23.651 6.369 717 HH21 ARG 98 2HH2 ARG 98 -5.475 -26.462 7.926 718 HH22 ARG 98 1HH2 ARG 98 -6.793 -25.340 7.916 719 H PHE 99 H PHE 99 -0.085 -24.130 7.086 720 HA PHE 99 HA PHE 99 2.674 -24.860 6.824 721 HB2 PHE 99 1HB PHE 99 2.683 -25.077 9.196 722 HB3 PHE 99 2HB PHE 99 1.640 -23.708 8.828 723 HD1 PHE 99 2HD PHE 99 -0.776 -23.875 9.110 724 HD2 PHE 99 1HD PHE 99 1.808 -27.093 10.149 725 HE1 PHE 99 2HE PHE 99 -2.593 -24.910 10.405 726 HE2 PHE 99 1HE PHE 99 -0.005 -28.135 11.445 727 HZ PHE 99 HZ PHE 99 -2.209 -27.043 11.576 728 H THR 100 H THR 100 3.368 -26.771 6.161 729 HA THR 100 HA THR 100 1.665 -29.131 6.606 730 HB THR 100 HB THR 100 2.097 -28.658 4.238 731 HG1 THR 100 1HG THR 100 3.358 -30.962 5.335 732 HG21 THR 100 1HG2 THR 100 4.898 -29.434 4.231 733 HG22 THR 100 2HG2 THR 100 4.626 -27.922 5.098 734 HG23 THR 100 3HG2 THR 100 4.100 -28.086 3.423 735 H GLU 101 H GLU 101 2.504 -30.971 7.524 736 HA GLU 101 HA GLU 101 5.278 -31.352 8.029 737 HB2 GLU 101 1HB GLU 101 4.493 -29.554 9.723 738 HB3 GLU 101 2HB GLU 101 3.678 -30.887 10.528 739 HG2 GLU 101 1HG GLU 101 6.024 -30.214 11.319 740 HG3 GLU 101 2HG GLU 101 5.659 -31.926 11.108 741 H GLY 102 H GLY 102 5.711 -33.342 9.214 742 HA2 GLY 102 1HA GLY 102 3.649 -35.074 10.084 743 HA3 GLY 102 2HA GLY 102 4.082 -35.461 8.425 744 H SER 103 H SER 103 5.872 -34.597 11.389 745 HA SER 103 HA SER 103 7.473 -37.038 11.011 746 HB2 SER 103 1HB SER 103 9.491 -35.862 11.596 747 HB3 SER 103 2HB SER 103 8.707 -34.968 10.294 748 HG SER 103 HG SER 103 7.748 -33.691 12.087 749 H GLY 104 H GLY 104 8.414 -37.915 12.944 750 HA2 GLY 104 1HA GLY 104 7.403 -36.860 15.480 751 HA3 GLY 104 2HA GLY 104 6.909 -38.485 15.027 752 HA PRO 105 HA PRO 105 11.392 -38.166 16.832 753 HB2 PRO 105 1HB PRO 105 10.964 -37.972 19.506 754 HB3 PRO 105 2HB PRO 105 11.189 -36.562 18.464 755 HG2 PRO 105 1HG PRO 105 8.652 -37.759 19.509 756 HG3 PRO 105 2HG PRO 105 9.120 -36.052 19.394 757 HD2 PRO 105 1HD PRO 105 7.474 -37.236 17.599 758 HD3 PRO 105 2HD PRO 105 8.589 -35.928 17.154 759 H SER 106 H SER 106 12.343 -40.066 17.335 760 HA SER 106 HA SER 106 11.099 -42.035 19.005 761 HB2 SER 106 1HB SER 106 9.979 -42.250 16.692 762 HB3 SER 106 2HB SER 106 11.529 -42.890 16.148 763 HG SER 106 HG SER 106 9.860 -44.428 16.961 764 H SER 107 H SER 107 12.826 -42.541 20.179 765 HA SER 107 HA SER 107 15.452 -42.231 19.732 766 HB2 SER 107 1HB SER 107 14.634 -43.097 21.845 767 HB3 SER 107 2HB SER 107 14.163 -44.615 21.081 768 HG SER 107 HG SER 107 16.809 -43.610 21.322 769 H GLY 108 H GLY 108 16.724 -42.735 18.082 770 HA2 GLY 108 1HA GLY 108 17.375 -43.784 16.108 771 HA3 GLY 108 2HA GLY 108 17.607 -45.110 17.239 Start of MODEL 17 1 H1 GLY 1 H GLY 1 11.754 41.660 9.104 2 HA2 GLY 1 1HA GLY 1 13.666 41.457 7.569 3 HA3 GLY 1 2HA GLY 1 13.657 39.735 7.919 4 H SER 2 H SER 2 12.848 38.536 6.346 5 HA SER 2 HA SER 2 10.596 39.600 4.780 6 HB2 SER 2 1HB SER 2 13.064 38.204 3.730 7 HB3 SER 2 2HB SER 2 11.601 38.441 2.776 8 HG SER 2 HG SER 2 13.543 40.103 2.944 9 H SER 3 H SER 3 9.089 38.092 4.052 10 HA SER 3 HA SER 3 9.459 35.288 4.736 11 HB2 SER 3 1HB SER 3 8.523 36.226 6.792 12 HB3 SER 3 2HB SER 3 7.196 36.944 5.880 13 HG SER 3 HG SER 3 7.715 34.163 5.872 14 H GLY 4 H GLY 4 8.838 34.165 3.020 15 HA2 GLY 4 1HA GLY 4 6.325 34.228 1.849 16 HA3 GLY 4 2HA GLY 4 7.334 35.307 0.897 17 H SER 5 H SER 5 7.593 34.186 -0.953 18 HA SER 5 HA SER 5 8.030 31.358 -1.001 19 HB2 SER 5 1HB SER 5 8.249 33.473 -3.152 20 HB3 SER 5 2HB SER 5 8.450 31.746 -3.449 21 HG SER 5 HG SER 5 6.135 33.103 -2.546 22 H SER 6 H SER 6 9.872 30.542 -0.240 23 HA SER 6 HA SER 6 12.395 31.898 -0.927 24 HB2 SER 6 1HB SER 6 13.360 30.705 1.034 25 HB3 SER 6 2HB SER 6 12.051 31.800 1.476 26 HG SER 6 HG SER 6 12.232 29.250 2.032 27 H GLY 7 H GLY 7 12.614 30.894 -2.953 28 HA2 GLY 7 1HA GLY 7 13.312 29.261 -4.407 29 HA3 GLY 7 2HA GLY 7 14.099 28.536 -3.013 30 HA PRO 8 HA PRO 8 10.755 25.693 -4.625 31 HB2 PRO 8 1HB PRO 8 12.371 23.535 -4.951 32 HB3 PRO 8 2HB PRO 8 12.122 24.749 -6.212 33 HG2 PRO 8 1HG PRO 8 14.390 24.463 -4.278 34 HG3 PRO 8 2HG PRO 8 14.437 24.842 -6.010 35 HD2 PRO 8 1HD PRO 8 14.682 26.742 -4.096 36 HD3 PRO 8 2HD PRO 8 13.919 27.062 -5.667 37 H ALA 9 H ALA 9 9.692 24.192 -3.389 38 HA ALA 9 HA ALA 9 10.005 24.119 -0.662 39 HB1 ALA 9 1HB ALA 9 8.393 22.762 -2.602 40 HB2 ALA 9 2HB ALA 9 8.895 21.631 -1.344 41 HB3 ALA 9 3HB ALA 9 8.044 23.113 -0.909 42 H ARG 10 H ARG 10 10.964 22.752 0.820 43 HA ARG 10 HA ARG 10 12.826 20.739 -0.245 44 HB2 ARG 10 1HB ARG 10 14.534 21.433 1.324 45 HB3 ARG 10 2HB ARG 10 14.053 22.808 0.338 46 HG2 ARG 10 1HG ARG 10 12.846 23.786 2.110 47 HG3 ARG 10 2HG ARG 10 12.912 22.306 3.069 48 HD2 ARG 10 1HD ARG 10 14.565 23.519 4.084 49 HD3 ARG 10 2HD ARG 10 15.507 22.675 2.854 50 HE ARG 10 HE ARG 10 14.930 25.504 2.974 51 HH11 ARG 10 2HH1 ARG 10 15.959 22.830 0.995 52 HH12 ARG 10 1HH1 ARG 10 16.766 23.831 -0.166 53 HH21 ARG 10 2HH2 ARG 10 15.989 26.832 1.452 54 HH22 ARG 10 1HH2 ARG 10 16.783 26.107 0.095 55 H PHE 11 H PHE 11 12.918 18.848 0.851 56 HA PHE 11 HA PHE 11 10.849 18.108 2.565 57 HB2 PHE 11 1HB PHE 11 13.513 16.870 1.924 58 HB3 PHE 11 2HB PHE 11 12.433 16.133 3.103 59 HD1 PHE 11 1HD PHE 11 10.269 15.227 2.409 60 HD2 PHE 11 2HD PHE 11 13.039 16.797 -0.415 61 HE1 PHE 11 1HE PHE 11 9.043 14.110 0.590 62 HE2 PHE 11 2HE PHE 11 11.818 15.685 -2.238 63 HZ PHE 11 HZ PHE 11 9.816 14.340 -1.737 64 H THR 12 H THR 12 10.644 17.911 4.755 65 HA THR 12 HA THR 12 12.792 19.115 6.377 66 HB THR 12 HB THR 12 10.999 19.782 7.983 67 HG1 THR 12 1HG THR 12 9.092 19.443 5.953 68 HG21 THR 12 1HG2 THR 12 10.646 20.882 5.192 69 HG22 THR 12 2HG2 THR 12 11.908 21.367 6.325 70 HG23 THR 12 3HG2 THR 12 10.215 21.692 6.698 71 H GLN 13 H GLN 13 10.451 16.534 6.088 72 HA GLN 13 HA GLN 13 11.763 15.172 8.342 73 HB2 GLN 13 1HB GLN 13 8.871 15.614 7.824 74 HB3 GLN 13 2HB GLN 13 9.340 14.043 8.460 75 HG2 GLN 13 1HG GLN 13 10.334 16.526 9.777 76 HG3 GLN 13 2HG GLN 13 8.687 15.972 10.073 77 HE21 GLN 13 1HE2 GLN 13 11.953 15.611 10.864 78 HE22 GLN 13 2HE2 GLN 13 11.805 14.232 11.894 79 H ASP 14 H ASP 14 12.703 13.345 7.743 80 HA ASP 14 HA ASP 14 12.843 12.278 5.254 81 HB2 ASP 14 1HB ASP 14 12.916 10.781 7.881 82 HB3 ASP 14 2HB ASP 14 13.439 10.106 6.340 83 H LEU 15 H LEU 15 11.881 10.500 4.165 84 HA LEU 15 HA LEU 15 9.035 10.431 4.406 85 HB2 LEU 15 1HB LEU 15 10.654 10.126 2.333 86 HB3 LEU 15 2HB LEU 15 10.496 8.426 2.769 87 HG LEU 15 HG LEU 15 8.141 10.217 2.197 88 HD11 LEU 15 1HD1 LEU 15 10.062 9.286 0.363 89 HD12 LEU 15 2HD1 LEU 15 8.502 10.032 0.019 90 HD13 LEU 15 3HD1 LEU 15 8.629 8.279 0.155 91 HD21 LEU 15 1HD2 LEU 15 8.177 7.854 3.489 92 HD22 LEU 15 2HD2 LEU 15 8.045 7.295 1.821 93 HD23 LEU 15 3HD2 LEU 15 6.837 8.399 2.480 94 H LYS 16 H LYS 16 7.786 9.043 5.480 95 HA LYS 16 HA LYS 16 9.067 6.672 6.672 96 HB2 LYS 16 1HB LYS 16 7.598 6.848 8.522 97 HB3 LYS 16 2HB LYS 16 8.187 8.477 8.220 98 HG2 LYS 16 1HG LYS 16 5.987 8.941 8.482 99 HG3 LYS 16 2HG LYS 16 5.982 8.596 6.751 100 HD2 LYS 16 1HD LYS 16 5.421 6.208 7.353 101 HD3 LYS 16 2HD LYS 16 5.164 6.773 9.006 102 HE2 LYS 16 1HE LYS 16 3.604 8.523 7.857 103 HE3 LYS 16 2HE LYS 16 3.599 7.363 6.529 104 HZ1 LYS 16 1HZ LYS 16 3.162 5.934 8.874 105 HZ2 LYS 16 2HZ LYS 16 2.066 6.223 7.618 106 HZ3 LYS 16 3HZ LYS 16 2.142 7.282 8.935 107 H THR 17 H THR 17 7.577 4.819 7.059 108 HA THR 17 HA THR 17 5.309 4.641 5.241 109 HB THR 17 HB THR 17 7.072 3.915 3.779 110 HG1 THR 17 1HG THR 17 5.236 2.634 3.612 111 HG21 THR 17 1HG2 THR 17 7.850 1.844 5.828 112 HG22 THR 17 2HG2 THR 17 8.686 3.387 5.643 113 HG23 THR 17 3HG2 THR 17 8.667 2.228 4.314 114 H LYS 18 H LYS 18 4.441 2.235 5.394 115 HA LYS 18 HA LYS 18 4.588 1.382 8.208 116 HB2 LYS 18 1HB LYS 18 2.198 0.976 8.223 117 HB3 LYS 18 2HB LYS 18 2.507 2.652 7.790 118 HG2 LYS 18 1HG LYS 18 0.933 2.147 6.235 119 HG3 LYS 18 2HG LYS 18 2.378 1.670 5.341 120 HD2 LYS 18 1HD LYS 18 1.112 -0.205 5.036 121 HD3 LYS 18 2HD LYS 18 1.915 -0.642 6.546 122 HE2 LYS 18 1HE LYS 18 -0.660 0.845 6.679 123 HE3 LYS 18 2HE LYS 18 -0.699 -0.866 6.256 124 HZ1 LYS 18 1HZ LYS 18 -0.098 0.398 8.789 125 HZ2 LYS 18 2HZ LYS 18 0.929 -0.881 8.375 126 HZ3 LYS 18 3HZ LYS 18 -0.741 -1.134 8.468 127 H GLU 19 H GLU 19 3.814 -0.864 8.549 128 HA GLU 19 HA GLU 19 4.745 -2.557 6.349 129 HB2 GLU 19 1HB GLU 19 5.895 -2.972 8.403 130 HB3 GLU 19 2HB GLU 19 4.385 -3.068 9.300 131 HG2 GLU 19 1HG GLU 19 3.842 -5.080 7.830 132 HG3 GLU 19 2HG GLU 19 5.545 -5.050 7.376 133 H ALA 20 H ALA 20 3.190 -3.228 5.026 134 HA ALA 20 HA ALA 20 0.627 -4.086 6.205 135 HB1 ALA 20 1HB ALA 20 0.226 -3.637 3.468 136 HB2 ALA 20 2HB ALA 20 -0.367 -2.668 4.818 137 HB3 ALA 20 3HB ALA 20 1.171 -2.268 4.053 138 H SER 21 H SER 21 -0.530 -5.730 4.804 139 HA SER 21 HA SER 21 1.414 -7.776 3.994 140 HB2 SER 21 1HB SER 21 -1.518 -8.141 4.648 141 HB3 SER 21 2HB SER 21 -0.315 -9.412 4.426 142 HG SER 21 HG SER 21 0.066 -9.213 6.472 143 H GLU 22 H GLU 22 0.608 -9.287 2.240 144 HA GLU 22 HA GLU 22 0.383 -7.972 -0.168 145 HB2 GLU 22 1HB GLU 22 -0.137 -10.758 0.731 146 HB3 GLU 22 2HB GLU 22 -0.743 -10.298 -0.854 147 HG2 GLU 22 1HG GLU 22 1.465 -9.710 -1.588 148 HG3 GLU 22 2HG GLU 22 2.116 -9.978 0.028 149 H GLY 23 H GLY 23 -1.241 -7.214 -1.429 150 HA2 GLY 23 1HA GLY 23 -3.432 -6.884 -2.167 151 HA3 GLY 23 2HA GLY 23 -4.008 -7.846 -0.813 152 H ALA 24 H ALA 24 -2.547 -6.326 1.186 153 HA ALA 24 HA ALA 24 -4.494 -4.390 1.794 154 HB1 ALA 24 1HB ALA 24 -3.437 -4.188 3.779 155 HB2 ALA 24 2HB ALA 24 -2.615 -5.652 3.237 156 HB3 ALA 24 3HB ALA 24 -1.838 -4.081 3.041 157 H THR 25 H THR 25 -3.807 -2.060 2.370 158 HA THR 25 HA THR 25 -2.331 -0.944 0.075 159 HB THR 25 HB THR 25 -4.519 0.463 1.608 160 HG1 THR 25 1HG THR 25 -5.938 -0.347 0.211 161 HG21 THR 25 1HG2 THR 25 -2.719 1.718 0.233 162 HG22 THR 25 2HG2 THR 25 -4.417 2.122 -0.025 163 HG23 THR 25 3HG2 THR 25 -3.574 1.079 -1.170 164 H ALA 26 H ALA 26 -0.436 -0.122 0.646 165 HA ALA 26 HA ALA 26 0.267 0.462 3.337 166 HB1 ALA 26 1HB ALA 26 2.138 1.711 1.674 167 HB2 ALA 26 2HB ALA 26 2.263 0.121 2.427 168 HB3 ALA 26 3HB ALA 26 1.603 0.276 0.799 169 H THR 27 H THR 27 1.520 2.699 3.638 170 HA THR 27 HA THR 27 0.144 4.962 2.489 171 HB THR 27 HB THR 27 -0.124 4.462 5.459 172 HG1 THR 27 1HG THR 27 -1.612 3.162 4.469 173 HG21 THR 27 1HG2 THR 27 -1.899 6.428 4.763 174 HG22 THR 27 2HG2 THR 27 -0.512 6.799 3.738 175 HG23 THR 27 3HG2 THR 27 -0.315 6.700 5.488 176 H LEU 28 H LEU 28 1.870 6.155 1.993 177 HA LEU 28 HA LEU 28 3.994 6.459 4.008 178 HB2 LEU 28 1HB LEU 28 4.227 7.101 1.082 179 HB3 LEU 28 2HB LEU 28 5.524 6.910 2.260 180 HG LEU 28 HG LEU 28 4.521 4.444 2.372 181 HD11 LEU 28 1HD1 LEU 28 3.229 3.810 0.676 182 HD12 LEU 28 2HD1 LEU 28 4.264 4.603 -0.510 183 HD13 LEU 28 3HD1 LEU 28 3.010 5.523 0.321 184 HD21 LEU 28 1HD2 LEU 28 6.629 5.757 0.823 185 HD22 LEU 28 2HD2 LEU 28 6.137 4.187 0.189 186 HD23 LEU 28 3HD2 LEU 28 6.698 4.329 1.855 187 H GLN 29 H GLN 29 4.141 8.352 5.001 188 HA GLN 29 HA GLN 29 3.020 10.728 3.667 189 HB2 GLN 29 1HB GLN 29 2.908 9.895 6.559 190 HB3 GLN 29 2HB GLN 29 2.651 11.563 6.063 191 HG2 GLN 29 1HG GLN 29 0.866 10.593 4.486 192 HG3 GLN 29 2HG GLN 29 0.976 9.153 5.496 193 HE21 GLN 29 1HE2 GLN 29 -0.920 9.205 6.540 194 HE22 GLN 29 2HE2 GLN 29 -1.454 10.500 7.551 195 H CYS 30 H CYS 30 4.186 12.609 3.728 196 HA CYS 30 HA CYS 30 6.687 12.660 5.241 197 HB2 CYS 30 1HB CYS 30 8.040 13.213 3.360 198 HB3 CYS 30 2HB CYS 30 7.124 11.779 2.912 199 HG CYS 30 HG CYS 30 5.650 12.853 1.012 200 H GLU 31 H GLU 31 7.657 14.823 5.330 201 HA GLU 31 HA GLU 31 5.593 16.913 5.109 202 HB2 GLU 31 1HB GLU 31 6.643 16.159 7.405 203 HB3 GLU 31 2HB GLU 31 7.968 17.199 6.903 204 HG2 GLU 31 1HG GLU 31 6.458 19.086 6.729 205 HG3 GLU 31 2HG GLU 31 5.094 18.054 7.156 206 H LEU 32 H LEU 32 6.352 19.093 4.646 207 HA LEU 32 HA LEU 32 8.955 19.276 3.332 208 HB2 LEU 32 1HB LEU 32 6.320 19.891 2.012 209 HB3 LEU 32 2HB LEU 32 7.876 20.438 1.391 210 HG LEU 32 HG LEU 32 7.298 17.521 1.808 211 HD11 LEU 32 1HD1 LEU 32 6.980 17.863 -0.857 212 HD12 LEU 32 2HD1 LEU 32 6.212 19.325 -0.240 213 HD13 LEU 32 3HD1 LEU 32 5.652 17.742 0.297 214 HD21 LEU 32 1HD2 LEU 32 8.919 18.138 -0.442 215 HD22 LEU 32 2HD2 LEU 32 9.366 17.294 1.041 216 HD23 LEU 32 3HD2 LEU 32 9.525 19.048 0.942 217 H SER 33 H SER 33 9.577 21.512 2.849 218 HA SER 33 HA SER 33 9.143 23.217 5.035 219 HB2 SER 33 1HB SER 33 11.103 23.162 3.339 220 HB3 SER 33 2HB SER 33 10.088 24.222 2.361 221 HG SER 33 HG SER 33 10.004 25.638 4.190 222 H LYS 34 H LYS 34 7.616 23.015 1.887 223 HA LYS 34 HA LYS 34 5.400 24.601 2.806 224 HB2 LYS 34 1HB LYS 34 5.531 26.327 1.105 225 HB3 LYS 34 2HB LYS 34 6.988 26.352 2.090 226 HG2 LYS 34 1HG LYS 34 8.324 25.635 0.385 227 HG3 LYS 34 2HG LYS 34 7.016 24.766 -0.422 228 HD2 LYS 34 1HD LYS 34 6.037 26.877 -1.142 229 HD3 LYS 34 2HD LYS 34 7.302 27.769 -0.292 230 HE2 LYS 34 1HE LYS 34 8.188 27.768 -2.394 231 HE3 LYS 34 2HE LYS 34 8.872 26.259 -1.790 232 HZ1 LYS 34 1HZ LYS 34 6.293 26.293 -3.226 233 HZ2 LYS 34 2HZ LYS 34 7.360 25.001 -2.998 234 HZ3 LYS 34 3HZ LYS 34 7.758 26.247 -4.071 235 H VAL 35 H VAL 35 3.542 24.189 1.672 236 HA VAL 35 HA VAL 35 3.199 21.843 0.321 237 HB VAL 35 HB VAL 35 1.316 23.155 1.136 238 HG11 VAL 35 1HG1 VAL 35 0.955 24.950 -1.068 239 HG12 VAL 35 2HG1 VAL 35 1.050 25.308 0.657 240 HG13 VAL 35 3HG1 VAL 35 2.522 25.240 -0.312 241 HG21 VAL 35 1HG2 VAL 35 1.190 22.621 -1.830 242 HG22 VAL 35 2HG2 VAL 35 0.858 21.466 -0.539 243 HG23 VAL 35 3HG2 VAL 35 -0.207 22.851 -0.779 244 H ALA 36 H ALA 36 4.187 21.135 -1.448 245 HA ALA 36 HA ALA 36 4.127 22.776 -3.858 246 HB1 ALA 36 1HB ALA 36 6.569 22.032 -4.273 247 HB2 ALA 36 2HB ALA 36 6.262 23.403 -3.206 248 HB3 ALA 36 3HB ALA 36 6.629 21.818 -2.523 249 HA PRO 37 HA PRO 37 3.229 18.975 -5.860 250 HB2 PRO 37 1HB PRO 37 4.305 19.396 -8.316 251 HB3 PRO 37 2HB PRO 37 2.834 20.203 -7.761 252 HG2 PRO 37 1HG PRO 37 5.645 21.231 -7.838 253 HG3 PRO 37 2HG PRO 37 4.140 22.055 -8.285 254 HD2 PRO 37 1HD PRO 37 5.376 22.465 -5.911 255 HD3 PRO 37 2HD PRO 37 3.612 22.548 -6.096 256 H VAL 38 H VAL 38 4.184 17.103 -5.387 257 HA VAL 38 HA VAL 38 7.047 16.783 -6.021 258 HB VAL 38 HB VAL 38 7.300 15.285 -4.174 259 HG11 VAL 38 1HG1 VAL 38 7.426 16.878 -2.590 260 HG12 VAL 38 2HG1 VAL 38 6.889 17.948 -3.887 261 HG13 VAL 38 3HG1 VAL 38 5.720 17.302 -2.735 262 HG21 VAL 38 1HG2 VAL 38 5.077 15.252 -2.633 263 HG22 VAL 38 2HG2 VAL 38 4.358 15.260 -4.243 264 HG23 VAL 38 3HG2 VAL 38 5.495 13.990 -3.792 265 H GLU 39 H GLU 39 7.637 14.382 -6.232 266 HA GLU 39 HA GLU 39 5.499 12.895 -7.593 267 HB2 GLU 39 1HB GLU 39 6.902 14.030 -9.283 268 HB3 GLU 39 2HB GLU 39 8.320 13.221 -8.629 269 HG2 GLU 39 1HG GLU 39 7.868 11.823 -10.350 270 HG3 GLU 39 2HG GLU 39 6.868 11.067 -9.110 271 H TRP 40 H TRP 40 5.392 10.795 -7.076 272 HA TRP 40 HA TRP 40 7.347 9.761 -5.180 273 HB2 TRP 40 1HB TRP 40 4.699 8.636 -6.114 274 HB3 TRP 40 2HB TRP 40 5.720 7.915 -4.873 275 HD1 TRP 40 HD TRP 40 3.552 11.041 -5.491 276 HE1 TRP 40 1HE TRP 40 2.852 12.000 -3.208 277 HE3 TRP 40 3HE TRP 40 6.295 7.980 -2.450 278 HZ2 TRP 40 2HZ TRP 40 3.392 11.523 -0.479 279 HZ3 TRP 40 3HZ TRP 40 6.147 8.298 -0.015 280 HH2 TRP 40 HH TRP 40 4.725 10.033 0.949 281 H LYS 41 H LYS 41 8.537 7.888 -5.476 282 HA LYS 41 HA LYS 41 8.442 6.629 -8.124 283 HB2 LYS 41 1HB LYS 41 10.760 8.023 -6.860 284 HB3 LYS 41 2HB LYS 41 11.074 6.583 -7.820 285 HG2 LYS 41 1HG LYS 41 9.524 7.867 -9.550 286 HG3 LYS 41 2HG LYS 41 10.139 9.263 -8.662 287 HD2 LYS 41 1HD LYS 41 12.456 8.257 -9.020 288 HD3 LYS 41 2HD LYS 41 11.685 7.191 -10.198 289 HE2 LYS 41 1HE LYS 41 12.480 8.984 -11.472 290 HE3 LYS 41 2HE LYS 41 10.765 9.330 -11.256 291 HZ1 LYS 41 1HZ LYS 41 12.554 11.162 -10.847 292 HZ2 LYS 41 2HZ LYS 41 12.679 10.433 -9.326 293 HZ3 LYS 41 3HZ LYS 41 11.194 11.057 -9.846 294 H LYS 42 H LYS 42 9.166 4.483 -8.194 295 HA LYS 42 HA LYS 42 9.609 3.233 -5.562 296 HB2 LYS 42 1HB LYS 42 7.340 2.811 -6.612 297 HB3 LYS 42 2HB LYS 42 8.182 1.933 -7.882 298 HG2 LYS 42 1HG LYS 42 8.984 0.309 -6.320 299 HG3 LYS 42 2HG LYS 42 8.363 1.245 -4.958 300 HD2 LYS 42 1HD LYS 42 6.677 -0.284 -5.179 301 HD3 LYS 42 2HD LYS 42 6.083 0.972 -6.269 302 HE2 LYS 42 1HE LYS 42 6.914 -0.210 -8.180 303 HE3 LYS 42 2HE LYS 42 7.740 -1.383 -7.157 304 HZ1 LYS 42 1HZ LYS 42 4.974 -1.269 -7.959 305 HZ2 LYS 42 2HZ LYS 42 5.193 -1.572 -6.310 306 HZ3 LYS 42 3HZ LYS 42 5.902 -2.592 -7.458 307 H GLY 43 H GLY 43 11.636 4.160 -7.379 308 HA2 GLY 43 1HA GLY 43 13.707 2.684 -7.342 309 HA3 GLY 43 2HA GLY 43 12.752 1.606 -8.349 310 HA PRO 44 HA PRO 44 15.147 4.056 -11.344 311 HB2 PRO 44 1HB PRO 44 15.141 2.117 -13.245 312 HB3 PRO 44 2HB PRO 44 16.296 2.147 -11.907 313 HG2 PRO 44 1HG PRO 44 13.774 0.559 -12.198 314 HG3 PRO 44 2HG PRO 44 15.357 0.044 -11.586 315 HD2 PRO 44 1HD PRO 44 13.296 0.677 -9.947 316 HD3 PRO 44 2HD PRO 44 14.991 0.964 -9.504 317 H GLU 45 H GLU 45 11.985 3.190 -11.069 318 HA GLU 45 HA GLU 45 11.293 4.287 -13.715 319 HB2 GLU 45 1HB GLU 45 10.012 2.181 -12.026 320 HB3 GLU 45 2HB GLU 45 8.995 3.160 -13.073 321 HG2 GLU 45 1HG GLU 45 9.479 1.304 -14.367 322 HG3 GLU 45 2HG GLU 45 10.628 2.513 -14.938 323 H THR 46 H THR 46 9.106 5.409 -13.707 324 HA THR 46 HA THR 46 8.910 7.099 -11.299 325 HB THR 46 HB THR 46 8.051 7.914 -14.075 326 HG1 THR 46 1HG THR 46 10.563 7.712 -13.026 327 HG21 THR 46 1HG2 THR 46 7.686 9.046 -11.519 328 HG22 THR 46 2HG2 THR 46 7.318 9.769 -13.084 329 HG23 THR 46 3HG2 THR 46 8.894 10.034 -12.339 330 H LEU 47 H LEU 47 7.049 7.085 -10.217 331 HA LEU 47 HA LEU 47 4.846 5.493 -11.189 332 HB2 LEU 47 1HB LEU 47 5.369 6.984 -8.634 333 HB3 LEU 47 2HB LEU 47 3.822 6.209 -8.969 334 HG LEU 47 HG LEU 47 6.500 4.847 -8.694 335 HD11 LEU 47 1HD1 LEU 47 4.054 4.441 -7.007 336 HD12 LEU 47 2HD1 LEU 47 5.242 5.689 -6.632 337 HD13 LEU 47 3HD1 LEU 47 5.725 3.993 -6.664 338 HD21 LEU 47 1HD2 LEU 47 5.598 3.338 -10.088 339 HD22 LEU 47 2HD2 LEU 47 3.967 3.981 -9.894 340 HD23 LEU 47 3HD2 LEU 47 4.628 2.876 -8.689 341 H ARG 48 H ARG 48 2.567 6.510 -10.562 342 HA ARG 48 HA ARG 48 2.366 9.309 -11.308 343 HB2 ARG 48 1HB ARG 48 1.168 7.099 -12.986 344 HB3 ARG 48 2HB ARG 48 0.730 8.796 -13.129 345 HG2 ARG 48 1HG ARG 48 3.533 7.772 -13.496 346 HG3 ARG 48 2HG ARG 48 2.380 7.968 -14.817 347 HD2 ARG 48 1HD ARG 48 3.054 10.225 -12.955 348 HD3 ARG 48 2HD ARG 48 4.034 9.874 -14.378 349 HE ARG 48 HE ARG 48 2.296 10.602 -15.737 350 HH11 ARG 48 2HH1 ARG 48 1.342 10.579 -12.389 351 HH12 ARG 48 1HH1 ARG 48 -0.085 11.524 -12.654 352 HH21 ARG 48 2HH2 ARG 48 0.420 11.848 -16.099 353 HH22 ARG 48 1HH2 ARG 48 -0.609 12.245 -14.765 354 H ASP 49 H ASP 49 0.136 10.121 -11.122 355 HA ASP 49 HA ASP 49 -1.283 8.689 -8.991 356 HB2 ASP 49 1HB ASP 49 -2.209 10.778 -8.332 357 HB3 ASP 49 2HB ASP 49 -0.506 11.080 -8.661 358 H GLY 50 H GLY 50 -2.867 7.419 -9.707 359 HA2 GLY 50 1HA GLY 50 -5.256 8.037 -10.653 360 HA3 GLY 50 2HA GLY 50 -4.321 8.139 -12.137 361 H GLY 51 H GLY 51 -5.597 6.016 -9.680 362 HA2 GLY 51 1HA GLY 51 -6.455 3.867 -10.524 363 HA3 GLY 51 2HA GLY 51 -4.962 3.730 -11.441 364 H ARG 52 H ARG 52 -4.206 1.849 -10.574 365 HA ARG 52 HA ARG 52 -4.301 0.788 -8.126 366 HB2 ARG 52 1HB ARG 52 -2.832 0.209 -10.279 367 HB3 ARG 52 2HB ARG 52 -1.559 0.886 -9.274 368 HG2 ARG 52 1HG ARG 52 -1.388 -1.279 -8.640 369 HG3 ARG 52 2HG ARG 52 -2.620 -0.763 -7.486 370 HD2 ARG 52 1HD ARG 52 -3.242 -2.871 -8.532 371 HD3 ARG 52 2HD ARG 52 -4.367 -1.591 -8.984 372 HE ARG 52 HE ARG 52 -2.656 -1.533 -11.029 373 HH11 ARG 52 2HH1 ARG 52 -4.245 -4.198 -9.451 374 HH12 ARG 52 1HH1 ARG 52 -4.296 -5.182 -10.876 375 HH21 ARG 52 2HH2 ARG 52 -2.717 -2.819 -12.913 376 HH22 ARG 52 1HH2 ARG 52 -3.426 -4.396 -12.844 377 H TYR 53 H TYR 53 -2.161 3.450 -9.045 378 HA TYR 53 HA TYR 53 -1.274 3.708 -6.266 379 HB2 TYR 53 1HB TYR 53 -0.279 4.882 -8.857 380 HB3 TYR 53 2HB TYR 53 0.276 5.466 -7.293 381 HD1 TYR 53 2HD TYR 53 0.232 2.564 -9.568 382 HD2 TYR 53 1HD TYR 53 1.838 4.212 -5.990 383 HE1 TYR 53 2HE TYR 53 1.916 0.773 -9.506 384 HE2 TYR 53 1HE TYR 53 3.528 2.426 -5.918 385 HH TYR 53 HH TYR 53 4.110 0.342 -8.556 386 H SER 54 H SER 54 -2.367 5.017 -4.977 387 HA SER 54 HA SER 54 -3.640 7.407 -6.144 388 HB2 SER 54 1HB SER 54 -4.662 5.384 -4.219 389 HB3 SER 54 2HB SER 54 -5.113 7.064 -3.928 390 HG SER 54 HG SER 54 -6.644 6.425 -5.295 391 H LEU 55 H LEU 55 -2.976 9.298 -5.371 392 HA LEU 55 HA LEU 55 -1.838 9.431 -2.672 393 HB2 LEU 55 1HB LEU 55 -0.166 11.115 -3.780 394 HB3 LEU 55 2HB LEU 55 0.165 9.384 -3.760 395 HG LEU 55 HG LEU 55 -1.206 10.561 -6.133 396 HD11 LEU 55 1HD1 LEU 55 0.476 12.073 -6.267 397 HD12 LEU 55 2HD1 LEU 55 1.323 10.693 -6.963 398 HD13 LEU 55 3HD1 LEU 55 1.570 11.115 -5.269 399 HD21 LEU 55 1HD2 LEU 55 -0.987 8.405 -6.674 400 HD22 LEU 55 2HD2 LEU 55 0.180 8.108 -5.386 401 HD23 LEU 55 3HD2 LEU 55 0.719 8.771 -6.930 402 H LYS 56 H LYS 56 -1.806 11.576 -1.763 403 HA LYS 56 HA LYS 56 -3.459 13.559 -3.151 404 HB2 LYS 56 1HB LYS 56 -4.973 12.290 -1.695 405 HB3 LYS 56 2HB LYS 56 -3.934 12.619 -0.315 406 HG2 LYS 56 1HG LYS 56 -5.733 14.126 -0.158 407 HG3 LYS 56 2HG LYS 56 -4.358 15.071 -0.736 408 HD2 LYS 56 1HD LYS 56 -5.199 14.883 -3.029 409 HD3 LYS 56 2HD LYS 56 -6.574 13.940 -2.447 410 HE2 LYS 56 1HE LYS 56 -7.488 16.050 -2.585 411 HE3 LYS 56 2HE LYS 56 -6.970 16.002 -0.900 412 HZ1 LYS 56 1HZ LYS 56 -4.850 16.931 -2.499 413 HZ2 LYS 56 2HZ LYS 56 -5.673 17.740 -1.263 414 HZ3 LYS 56 3HZ LYS 56 -6.234 17.835 -2.857 415 H GLN 57 H GLN 57 -3.102 15.706 -2.520 416 HA GLN 57 HA GLN 57 -0.569 16.110 -1.101 417 HB2 GLN 57 1HB GLN 57 -0.908 17.004 -3.445 418 HB3 GLN 57 2HB GLN 57 -2.076 18.128 -2.763 419 HG2 GLN 57 1HG GLN 57 -0.109 19.356 -2.898 420 HG3 GLN 57 2HG GLN 57 -0.195 18.866 -1.207 421 HE21 GLN 57 1HE2 GLN 57 2.095 19.299 -1.188 422 HE22 GLN 57 2HE2 GLN 57 3.197 18.095 -1.753 423 H ASP 58 H ASP 58 -0.362 17.867 0.408 424 HA ASP 58 HA ASP 58 -2.699 19.181 1.429 425 HB2 ASP 58 1HB ASP 58 -1.560 16.796 2.824 426 HB3 ASP 58 2HB ASP 58 -2.149 18.140 3.798 427 H GLY 59 H GLY 59 -2.204 20.743 3.078 428 HA2 GLY 59 1HA GLY 59 -0.068 22.335 2.703 429 HA3 GLY 59 2HA GLY 59 -0.825 22.168 4.280 430 H THR 60 H THR 60 2.020 21.849 2.563 431 HA THR 60 HA THR 60 4.017 20.766 2.931 432 HB THR 60 HB THR 60 4.895 21.122 5.222 433 HG1 THR 60 1HG THR 60 2.284 22.130 5.772 434 HG21 THR 60 1HG2 THR 60 5.312 23.049 4.102 435 HG22 THR 60 2HG2 THR 60 4.114 23.700 5.221 436 HG23 THR 60 3HG2 THR 60 3.636 23.237 3.588 437 H ARG 61 H ARG 61 1.996 18.875 2.734 438 HA ARG 61 HA ARG 61 3.173 16.696 4.184 439 HB2 ARG 61 1HB ARG 61 0.545 17.828 4.996 440 HB3 ARG 61 2HB ARG 61 0.688 16.076 4.950 441 HG2 ARG 61 1HG ARG 61 2.722 16.315 6.412 442 HG3 ARG 61 2HG ARG 61 2.282 18.013 6.603 443 HD2 ARG 61 1HD ARG 61 0.267 17.475 7.694 444 HD3 ARG 61 2HD ARG 61 0.350 15.789 7.186 445 HE ARG 61 HE ARG 61 1.628 15.357 9.023 446 HH11 ARG 61 2HH1 ARG 61 1.747 18.773 8.363 447 HH12 ARG 61 1HH1 ARG 61 2.649 19.150 9.794 448 HH21 ARG 61 2HH2 ARG 61 2.814 15.841 10.910 449 HH22 ARG 61 1HH2 ARG 61 3.256 17.481 11.241 450 H CYS 62 H CYS 62 2.919 14.798 3.117 451 HA CYS 62 HA CYS 62 0.968 14.726 0.914 452 HB2 CYS 62 1HB CYS 62 3.827 13.738 0.847 453 HB3 CYS 62 2HB CYS 62 2.642 13.481 -0.429 454 HG CYS 62 HG CYS 62 4.104 16.418 0.505 455 H GLU 63 H GLU 63 0.307 12.582 0.253 456 HA GLU 63 HA GLU 63 0.871 10.429 2.146 457 HB2 GLU 63 1HB GLU 63 -1.108 11.501 3.062 458 HB3 GLU 63 2HB GLU 63 -1.908 11.427 1.498 459 HG2 GLU 63 1HG GLU 63 -1.913 8.993 1.605 460 HG3 GLU 63 2HG GLU 63 -1.094 9.056 3.165 461 H LEU 64 H LEU 64 1.448 8.729 0.984 462 HA LEU 64 HA LEU 64 0.255 8.368 -1.684 463 HB2 LEU 64 1HB LEU 64 2.630 8.709 -1.802 464 HB3 LEU 64 2HB LEU 64 2.910 7.472 -0.578 465 HG LEU 64 HG LEU 64 1.980 5.798 -2.216 466 HD11 LEU 64 1HD1 LEU 64 2.105 8.214 -3.996 467 HD12 LEU 64 2HD1 LEU 64 0.755 7.111 -3.729 468 HD13 LEU 64 3HD1 LEU 64 2.171 6.568 -4.628 469 HD21 LEU 64 1HD2 LEU 64 4.465 6.472 -1.782 470 HD22 LEU 64 2HD2 LEU 64 4.366 7.133 -3.415 471 HD23 LEU 64 3HD2 LEU 64 4.055 5.419 -3.136 472 H GLN 65 H GLN 65 -1.158 6.771 -1.863 473 HA GLN 65 HA GLN 65 -0.926 4.475 -0.031 474 HB2 GLN 65 1HB GLN 65 -3.323 5.943 -1.073 475 HB3 GLN 65 2HB GLN 65 -3.463 4.256 -0.596 476 HG2 GLN 65 1HG GLN 65 -2.581 4.865 1.636 477 HG3 GLN 65 2HG GLN 65 -2.601 6.557 1.140 478 HE21 GLN 65 1HE2 GLN 65 -3.993 5.765 3.338 479 HE22 GLN 65 2HE2 GLN 65 -5.690 5.844 3.026 480 H ILE 66 H ILE 66 -0.339 2.663 -1.006 481 HA ILE 66 HA ILE 66 -0.813 2.371 -3.885 482 HB ILE 66 HB ILE 66 0.932 0.633 -2.145 483 HG12 ILE 66 1HG1 ILE 66 2.073 2.708 -3.961 484 HG13 ILE 66 2HG1 ILE 66 1.446 3.227 -2.400 485 HG21 ILE 66 1HG2 ILE 66 1.952 -0.027 -4.250 486 HG22 ILE 66 2HG2 ILE 66 0.217 -0.335 -4.282 487 HG23 ILE 66 3HG2 ILE 66 0.880 1.062 -5.130 488 HD11 ILE 66 1HD1 ILE 66 3.856 1.685 -3.056 489 HD12 ILE 66 2HD1 ILE 66 3.542 2.804 -1.729 490 HD13 ILE 66 3HD1 ILE 66 2.962 1.141 -1.637 491 H HIS 67 H HIS 67 -2.427 1.139 -4.562 492 HA HIS 67 HA HIS 67 -3.762 -0.656 -2.707 493 HB2 HIS 67 1HB HIS 67 -4.434 0.249 -5.509 494 HB3 HIS 67 2HB HIS 67 -5.403 -0.910 -4.605 495 HD1 HIS 67 1HD HIS 67 -5.746 0.308 -1.932 496 HD2 HIS 67 2HD HIS 67 -5.739 2.603 -5.395 497 HE1 HIS 67 1HE HIS 67 -6.962 2.428 -1.336 498 HE2 HIS 67 2HE HIS 67 -7.019 3.764 -3.470 499 H ASP 68 H ASP 68 -4.087 -2.864 -3.063 500 HA ASP 68 HA ASP 68 -3.540 -4.980 -3.696 501 HB2 ASP 68 1HB ASP 68 -3.181 -3.425 -6.207 502 HB3 ASP 68 2HB ASP 68 -2.492 -5.045 -6.156 503 H LEU 69 H LEU 69 -1.783 -4.030 -2.008 504 HA LEU 69 HA LEU 69 0.869 -3.707 -2.809 505 HB2 LEU 69 1HB LEU 69 -0.482 -4.526 -0.290 506 HB3 LEU 69 2HB LEU 69 1.259 -4.765 -0.416 507 HG LEU 69 HG LEU 69 -0.133 -2.112 -0.774 508 HD11 LEU 69 1HD1 LEU 69 -0.398 -2.865 1.508 509 HD12 LEU 69 2HD1 LEU 69 0.798 -1.571 1.440 510 HD13 LEU 69 3HD1 LEU 69 1.320 -3.246 1.612 511 HD21 LEU 69 1HD2 LEU 69 2.765 -2.915 -0.599 512 HD22 LEU 69 2HD2 LEU 69 2.194 -1.252 -0.459 513 HD23 LEU 69 3HD2 LEU 69 1.940 -2.150 -1.957 514 H SER 70 H SER 70 2.678 -5.189 -2.557 515 HA SER 70 HA SER 70 2.232 -8.011 -2.436 516 HB2 SER 70 1HB SER 70 2.515 -8.650 -4.646 517 HB3 SER 70 2HB SER 70 1.569 -7.174 -4.842 518 HG SER 70 HG SER 70 4.189 -7.702 -5.523 519 H VAL 71 H VAL 71 4.152 -9.195 -2.272 520 HA VAL 71 HA VAL 71 6.289 -8.080 -1.007 521 HB VAL 71 HB VAL 71 7.644 -10.056 -1.943 522 HG11 VAL 71 1HG1 VAL 71 6.095 -9.848 0.188 523 HG12 VAL 71 2HG1 VAL 71 5.143 -11.052 -0.682 524 HG13 VAL 71 3HG1 VAL 71 6.826 -11.385 -0.275 525 HG21 VAL 71 1HG2 VAL 71 5.728 -10.112 -3.857 526 HG22 VAL 71 2HG2 VAL 71 6.743 -11.489 -3.428 527 HG23 VAL 71 3HG2 VAL 71 5.124 -11.341 -2.744 528 H ALA 72 H ALA 72 5.706 -8.208 -4.450 529 HA ALA 72 HA ALA 72 8.309 -7.541 -5.322 530 HB1 ALA 72 1HB ALA 72 5.722 -6.899 -6.726 531 HB2 ALA 72 2HB ALA 72 7.320 -7.086 -7.450 532 HB3 ALA 72 3HB ALA 72 6.498 -8.483 -6.756 533 H ASP 73 H ASP 73 5.510 -5.588 -4.418 534 HA ASP 73 HA ASP 73 6.553 -3.094 -5.233 535 HB2 ASP 73 1HB ASP 73 4.413 -3.914 -3.285 536 HB3 ASP 73 2HB ASP 73 4.871 -2.223 -3.469 537 H ALA 74 H ALA 74 6.841 -4.951 -2.264 538 HA ALA 74 HA ALA 74 7.882 -3.014 -0.565 539 HB1 ALA 74 1HB ALA 74 7.679 -4.800 0.745 540 HB2 ALA 74 2HB ALA 74 7.737 -5.903 -0.630 541 HB3 ALA 74 3HB ALA 74 9.235 -5.338 0.111 542 H GLY 75 H GLY 75 9.413 -1.637 -1.310 543 HA2 GLY 75 1HA GLY 75 12.072 -2.733 -1.734 544 HA3 GLY 75 2HA GLY 75 11.385 -1.873 -3.104 545 H GLU 76 H GLU 76 11.809 0.226 -3.233 546 HA GLU 76 HA GLU 76 12.237 1.754 -0.771 547 HB2 GLU 76 1HB GLU 76 14.464 1.102 -1.516 548 HB3 GLU 76 2HB GLU 76 14.131 1.724 -3.126 549 HG2 GLU 76 1HG GLU 76 14.266 3.926 -2.452 550 HG3 GLU 76 2HG GLU 76 13.946 3.535 -0.763 551 H TYR 77 H TYR 77 10.743 3.292 -0.840 552 HA TYR 77 HA TYR 77 9.939 4.416 -3.419 553 HB2 TYR 77 1HB TYR 77 8.710 4.571 -0.665 554 HB3 TYR 77 2HB TYR 77 8.103 5.478 -2.045 555 HD1 TYR 77 1HD TYR 77 8.459 2.145 -0.556 556 HD2 TYR 77 2HD TYR 77 6.915 4.369 -3.838 557 HE1 TYR 77 1HE TYR 77 7.094 0.209 -1.217 558 HE2 TYR 77 2HE TYR 77 5.545 2.440 -4.508 559 HH TYR 77 HH TYR 77 5.508 -0.543 -2.589 560 H SER 78 H SER 78 10.886 6.211 -4.092 561 HA SER 78 HA SER 78 11.891 8.117 -2.082 562 HB2 SER 78 1HB SER 78 12.868 7.886 -4.931 563 HB3 SER 78 2HB SER 78 13.627 8.746 -3.592 564 HG SER 78 HG SER 78 13.846 6.627 -2.586 565 H CYS 79 H CYS 79 11.261 10.207 -2.174 566 HA CYS 79 HA CYS 79 9.374 10.932 -4.316 567 HB2 CYS 79 1HB CYS 79 8.600 10.774 -1.843 568 HB3 CYS 79 2HB CYS 79 9.466 12.292 -1.638 569 HG CYS 79 HG CYS 79 7.574 12.616 -4.269 570 H MET 80 H MET 80 10.071 12.410 -5.698 571 HA MET 80 HA MET 80 12.352 14.086 -4.968 572 HB2 MET 80 1HB MET 80 11.034 13.690 -7.660 573 HB3 MET 80 2HB MET 80 12.531 14.561 -7.359 574 HG2 MET 80 1HG MET 80 13.175 12.467 -8.183 575 HG3 MET 80 2HG MET 80 13.454 12.396 -6.444 576 HE1 MET 80 1HE MET 80 13.805 10.092 -6.593 577 HE2 MET 80 2HE MET 80 12.660 9.842 -5.275 578 HE3 MET 80 3HE MET 80 12.584 8.825 -6.714 579 H CYS 81 H CYS 81 12.183 16.200 -4.571 580 HA CYS 81 HA CYS 81 9.749 17.609 -5.423 581 HB2 CYS 81 1HB CYS 81 9.406 17.074 -3.091 582 HB3 CYS 81 2HB CYS 81 11.002 17.684 -2.673 583 HG CYS 81 HG CYS 81 8.138 19.364 -3.203 584 H GLY 82 H GLY 82 10.771 18.737 -7.042 585 HA2 GLY 82 1HA GLY 82 11.938 20.495 -7.949 586 HA3 GLY 82 2HA GLY 82 12.158 21.092 -6.311 587 H GLN 83 H GLN 83 13.975 20.351 -5.091 588 HA GLN 83 HA GLN 83 16.143 19.276 -6.772 589 HB2 GLN 83 1HB GLN 83 16.229 21.435 -4.669 590 HB3 GLN 83 2HB GLN 83 17.675 20.624 -5.256 591 HG2 GLN 83 1HG GLN 83 15.739 22.159 -6.975 592 HG3 GLN 83 2HG GLN 83 17.265 22.786 -6.353 593 HE21 GLN 83 1HE2 GLN 83 15.806 20.401 -8.468 594 HE22 GLN 83 2HE2 GLN 83 17.194 20.163 -9.469 595 H GLU 84 H GLU 84 14.836 19.523 -3.493 596 HA GLU 84 HA GLU 84 16.655 17.658 -2.348 597 HB2 GLU 84 1HB GLU 84 13.978 18.702 -1.424 598 HB3 GLU 84 2HB GLU 84 14.969 17.609 -0.468 599 HG2 GLU 84 1HG GLU 84 15.253 19.919 0.234 600 HG3 GLU 84 2HG GLU 84 16.755 19.250 -0.401 601 H ARG 85 H ARG 85 16.071 15.553 -1.466 602 HA ARG 85 HA ARG 85 13.788 14.195 -2.615 603 HB2 ARG 85 1HB ARG 85 15.440 14.025 -4.417 604 HB3 ARG 85 2HB ARG 85 16.606 13.338 -3.293 605 HG2 ARG 85 1HG ARG 85 15.005 11.445 -2.932 606 HG3 ARG 85 2HG ARG 85 14.040 12.103 -4.256 607 HD2 ARG 85 1HD ARG 85 15.335 10.577 -5.381 608 HD3 ARG 85 2HD ARG 85 16.317 12.032 -5.546 609 HE ARG 85 HE ARG 85 17.246 10.867 -3.271 610 HH11 ARG 85 2HH1 ARG 85 16.790 9.787 -6.549 611 HH12 ARG 85 1HH1 ARG 85 18.106 8.661 -6.500 612 HH21 ARG 85 2HH2 ARG 85 18.982 9.388 -3.194 613 HH22 ARG 85 1HH2 ARG 85 19.352 8.435 -4.590 614 H THR 86 H THR 86 13.424 12.098 -1.695 615 HA THR 86 HA THR 86 15.095 11.371 0.592 616 HB THR 86 HB THR 86 13.308 12.840 1.484 617 HG1 THR 86 1HG THR 86 12.665 10.249 2.366 618 HG21 THR 86 1HG2 THR 86 10.985 11.933 1.529 619 HG22 THR 86 2HG2 THR 86 11.489 10.704 0.368 620 HG23 THR 86 3HG2 THR 86 11.529 12.409 -0.079 621 H SER 87 H SER 87 14.496 9.226 1.489 622 HA SER 87 HA SER 87 13.117 7.504 -0.448 623 HB2 SER 87 1HB SER 87 14.904 5.805 -0.214 624 HB3 SER 87 2HB SER 87 15.501 7.299 -0.936 625 HG SER 87 HG SER 87 15.835 6.399 1.731 626 H ALA 88 H ALA 88 12.226 5.594 0.417 627 HA ALA 88 HA ALA 88 12.359 5.221 3.310 628 HB1 ALA 88 1HB ALA 88 9.744 4.948 3.147 629 HB2 ALA 88 2HB ALA 88 10.485 6.525 3.424 630 HB3 ALA 88 3HB ALA 88 9.940 6.078 1.807 631 H THR 89 H THR 89 12.228 3.129 3.914 632 HA THR 89 HA THR 89 11.948 1.148 1.781 633 HB THR 89 HB THR 89 12.873 0.710 4.625 634 HG1 THR 89 1HG THR 89 14.910 1.040 3.893 635 HG21 THR 89 1HG2 THR 89 12.567 -1.008 2.235 636 HG22 THR 89 2HG2 THR 89 12.466 -1.419 3.947 637 HG23 THR 89 3HG2 THR 89 14.041 -1.226 3.178 638 H LEU 90 H LEU 90 9.947 0.418 1.464 639 HA LEU 90 HA LEU 90 8.042 0.296 3.650 640 HB2 LEU 90 1HB LEU 90 7.159 1.116 1.620 641 HB3 LEU 90 2HB LEU 90 7.860 -0.209 0.694 642 HG LEU 90 HG LEU 90 6.245 -1.682 2.131 643 HD11 LEU 90 1HD1 LEU 90 4.928 1.025 2.273 644 HD12 LEU 90 2HD1 LEU 90 5.506 0.066 3.634 645 HD13 LEU 90 3HD1 LEU 90 4.152 -0.510 2.661 646 HD21 LEU 90 1HD2 LEU 90 6.080 -1.534 -0.254 647 HD22 LEU 90 2HD2 LEU 90 5.381 0.083 -0.155 648 HD23 LEU 90 3HD2 LEU 90 4.468 -1.310 0.426 649 H THR 91 H THR 91 7.149 -1.547 4.503 650 HA THR 91 HA THR 91 8.525 -4.060 3.821 651 HB THR 91 HB THR 91 7.138 -3.395 6.422 652 HG1 THR 91 1HG THR 91 8.903 -2.300 6.812 653 HG21 THR 91 1HG2 THR 91 9.216 -5.469 6.317 654 HG22 THR 91 2HG2 THR 91 7.753 -5.848 5.407 655 HG23 THR 91 3HG2 THR 91 7.650 -5.473 7.127 656 H VAL 92 H VAL 92 7.369 -5.696 3.026 657 HA VAL 92 HA VAL 92 4.432 -5.566 3.256 658 HB VAL 92 HB VAL 92 6.036 -6.677 0.949 659 HG11 VAL 92 1HG1 VAL 92 3.644 -7.591 1.714 660 HG12 VAL 92 2HG1 VAL 92 3.121 -6.210 0.748 661 HG13 VAL 92 3HG1 VAL 92 4.124 -7.467 0.022 662 HG21 VAL 92 1HG2 VAL 92 4.168 -4.472 0.473 663 HG22 VAL 92 2HG2 VAL 92 5.553 -4.047 1.480 664 HG23 VAL 92 3HG2 VAL 92 5.806 -4.722 -0.130 665 H ARG 93 H ARG 93 3.406 -7.315 4.027 666 HA ARG 93 HA ARG 93 5.039 -9.691 4.611 667 HB2 ARG 93 1HB ARG 93 2.728 -8.395 6.001 668 HB3 ARG 93 2HB ARG 93 2.985 -10.124 6.199 669 HG2 ARG 93 1HG ARG 93 5.158 -9.762 7.130 670 HG3 ARG 93 2HG ARG 93 5.078 -8.037 6.763 671 HD2 ARG 93 1HD ARG 93 4.628 -8.527 9.137 672 HD3 ARG 93 2HD ARG 93 3.266 -7.748 8.333 673 HE ARG 93 HE ARG 93 2.672 -10.367 8.104 674 HH11 ARG 93 2HH1 ARG 93 3.601 -8.378 10.806 675 HH12 ARG 93 1HH1 ARG 93 2.714 -9.311 11.966 676 HH21 ARG 93 2HH2 ARG 93 1.501 -11.604 9.621 677 HH22 ARG 93 1HH2 ARG 93 1.521 -11.146 11.290 678 H ALA 94 H ALA 94 4.754 -11.253 3.165 679 HA ALA 94 HA ALA 94 2.794 -11.520 1.276 680 HB1 ALA 94 1HB ALA 94 4.394 -13.029 0.813 681 HB2 ALA 94 2HB ALA 94 4.739 -13.342 2.515 682 HB3 ALA 94 3HB ALA 94 3.365 -14.126 1.735 683 H LEU 95 H LEU 95 1.025 -13.083 1.080 684 HA LEU 95 HA LEU 95 -0.869 -12.791 3.138 685 HB2 LEU 95 1HB LEU 95 -0.729 -14.476 0.667 686 HB3 LEU 95 2HB LEU 95 -2.065 -14.656 1.802 687 HG LEU 95 HG LEU 95 -1.384 -12.320 0.049 688 HD11 LEU 95 1HD1 LEU 95 -3.937 -12.565 -0.277 689 HD12 LEU 95 2HD1 LEU 95 -3.709 -14.162 0.434 690 HD13 LEU 95 3HD1 LEU 95 -2.858 -13.727 -1.048 691 HD21 LEU 95 1HD2 LEU 95 -1.715 -11.241 2.116 692 HD22 LEU 95 2HD2 LEU 95 -3.027 -12.331 2.567 693 HD23 LEU 95 3HD2 LEU 95 -3.266 -11.147 1.282 694 HA PRO 96 HA PRO 96 -0.139 -16.142 5.877 695 HB2 PRO 96 1HB PRO 96 -2.667 -16.884 6.533 696 HB3 PRO 96 2HB PRO 96 -1.926 -15.385 7.107 697 HG2 PRO 96 1HG PRO 96 -3.835 -15.808 4.840 698 HG3 PRO 96 2HG PRO 96 -3.822 -14.528 6.068 699 HD2 PRO 96 1HD PRO 96 -2.872 -14.150 3.561 700 HD3 PRO 96 2HD PRO 96 -2.190 -13.322 4.975 701 H ALA 97 H ALA 97 0.463 -18.182 5.536 702 HA ALA 97 HA ALA 97 -1.141 -19.837 3.697 703 HB1 ALA 97 1HB ALA 97 1.395 -20.904 3.584 704 HB2 ALA 97 2HB ALA 97 0.655 -19.854 2.374 705 HB3 ALA 97 3HB ALA 97 1.688 -19.165 3.626 706 H ARG 98 H ARG 98 -1.180 -22.100 4.122 707 HA ARG 98 HA ARG 98 -1.675 -22.861 6.701 708 HB2 ARG 98 1HB ARG 98 -1.951 -24.111 4.383 709 HB3 ARG 98 2HB ARG 98 -0.454 -24.888 4.882 710 HG2 ARG 98 1HG ARG 98 -2.031 -26.345 5.691 711 HG3 ARG 98 2HG ARG 98 -1.738 -25.325 7.101 712 HD2 ARG 98 1HD ARG 98 -3.939 -24.771 5.129 713 HD3 ARG 98 2HD ARG 98 -4.163 -25.822 6.527 714 HE ARG 98 HE ARG 98 -3.181 -23.577 7.638 715 HH11 ARG 98 2HH1 ARG 98 -5.775 -24.152 5.388 716 HH12 ARG 98 1HH1 ARG 98 -6.713 -22.797 5.922 717 HH21 ARG 98 2HH2 ARG 98 -4.406 -21.790 8.350 718 HH22 ARG 98 1HH2 ARG 98 -5.933 -21.453 7.607 719 H PHE 99 H PHE 99 -0.533 -24.154 8.238 720 HA PHE 99 HA PHE 99 2.164 -23.291 8.624 721 HB2 PHE 99 1HB PHE 99 0.737 -23.570 10.553 722 HB3 PHE 99 2HB PHE 99 0.443 -25.257 10.145 723 HD1 PHE 99 1HD PHE 99 3.210 -22.918 10.995 724 HD2 PHE 99 2HD PHE 99 1.727 -26.906 11.124 725 HE1 PHE 99 1HE PHE 99 5.128 -23.583 12.384 726 HE2 PHE 99 2HE PHE 99 3.642 -27.576 12.515 727 HZ PHE 99 HZ PHE 99 5.346 -25.914 13.147 728 H THR 100 H THR 100 4.041 -24.360 8.309 729 HA THR 100 HA THR 100 4.367 -26.268 6.393 730 HB THR 100 HB THR 100 6.556 -26.846 7.517 731 HG1 THR 100 1HG THR 100 5.448 -26.097 9.662 732 HG21 THR 100 1HG2 THR 100 5.779 -24.572 6.158 733 HG22 THR 100 2HG2 THR 100 7.440 -25.062 6.492 734 HG23 THR 100 3HG2 THR 100 6.618 -23.935 7.571 735 H GLU 101 H GLU 101 4.738 -28.515 6.363 736 HA GLU 101 HA GLU 101 3.008 -30.028 8.012 737 HB2 GLU 101 1HB GLU 101 3.791 -30.536 5.620 738 HB3 GLU 101 2HB GLU 101 5.245 -31.188 6.364 739 HG2 GLU 101 1HG GLU 101 3.975 -33.075 6.134 740 HG3 GLU 101 2HG GLU 101 3.560 -32.585 7.775 741 H GLY 102 H GLY 102 6.544 -29.713 7.901 742 HA2 GLY 102 1HA GLY 102 8.148 -30.162 9.480 743 HA3 GLY 102 2HA GLY 102 6.865 -30.057 10.677 744 H SER 103 H SER 103 7.157 -32.352 8.000 745 HA SER 103 HA SER 103 6.319 -34.593 9.285 746 HB2 SER 103 1HB SER 103 8.336 -34.225 7.086 747 HB3 SER 103 2HB SER 103 7.960 -35.836 7.695 748 HG SER 103 HG SER 103 6.460 -35.628 6.189 749 H GLY 104 H GLY 104 9.645 -33.352 9.222 750 HA2 GLY 104 1HA GLY 104 11.403 -33.700 10.660 751 HA3 GLY 104 2HA GLY 104 10.233 -34.323 11.814 752 HA PRO 105 HA PRO 105 13.045 -37.723 10.103 753 HB2 PRO 105 1HB PRO 105 14.405 -38.232 12.397 754 HB3 PRO 105 2HB PRO 105 14.950 -37.052 11.199 755 HG2 PRO 105 1HG PRO 105 13.473 -36.603 13.764 756 HG3 PRO 105 2HG PRO 105 14.834 -35.693 13.082 757 HD2 PRO 105 1HD PRO 105 12.273 -34.834 12.905 758 HD3 PRO 105 2HD PRO 105 13.481 -34.499 11.649 759 H SER 106 H SER 106 11.225 -37.262 13.072 760 HA SER 106 HA SER 106 10.004 -38.681 14.379 761 HB2 SER 106 1HB SER 106 8.904 -38.689 11.975 762 HB3 SER 106 2HB SER 106 9.430 -40.373 11.980 763 HG SER 106 HG SER 106 7.557 -39.083 13.625 764 H SER 107 H SER 107 12.663 -39.293 14.526 765 HA SER 107 HA SER 107 12.632 -42.237 14.656 766 HB2 SER 107 1HB SER 107 14.981 -42.294 14.121 767 HB3 SER 107 2HB SER 107 14.171 -41.324 12.891 768 HG SER 107 HG SER 107 15.825 -40.063 13.445 769 H GLY 108 H GLY 108 13.989 -43.168 16.349 770 HA2 GLY 108 1HA GLY 108 13.506 -42.042 18.862 771 HA3 GLY 108 2HA GLY 108 14.643 -43.343 18.541 Start of MODEL 18 1 H1 GLY 1 H GLY 1 22.243 34.791 -15.558 2 HA2 GLY 1 1HA GLY 1 20.627 33.220 -16.307 3 HA3 GLY 1 2HA GLY 1 21.453 31.972 -15.386 4 H SER 2 H SER 2 20.377 31.286 -13.673 5 HA SER 2 HA SER 2 17.981 32.156 -12.748 6 HB2 SER 2 1HB SER 2 20.240 30.748 -11.359 7 HB3 SER 2 2HB SER 2 18.788 31.184 -10.459 8 HG SER 2 HG SER 2 18.064 29.370 -11.245 9 H SER 3 H SER 3 17.279 33.997 -11.920 10 HA SER 3 HA SER 3 18.823 35.397 -9.904 11 HB2 SER 3 1HB SER 3 19.649 36.347 -12.043 12 HB3 SER 3 2HB SER 3 17.997 36.807 -12.454 13 HG SER 3 HG SER 3 19.746 38.166 -11.018 14 H GLY 4 H GLY 4 17.337 35.481 -8.343 15 HA2 GLY 4 1HA GLY 4 15.215 37.192 -8.264 16 HA3 GLY 4 2HA GLY 4 14.527 35.708 -8.909 17 H SER 5 H SER 5 13.682 36.827 -6.503 18 HA SER 5 HA SER 5 14.975 35.422 -4.331 19 HB2 SER 5 1HB SER 5 13.449 36.556 -2.890 20 HB3 SER 5 2HB SER 5 13.912 37.721 -4.130 21 HG SER 5 HG SER 5 11.932 37.728 -4.871 22 H SER 6 H SER 6 14.105 33.647 -6.275 23 HA SER 6 HA SER 6 11.811 32.335 -4.970 24 HB2 SER 6 1HB SER 6 11.339 33.001 -7.294 25 HB3 SER 6 2HB SER 6 12.734 32.072 -7.843 26 HG SER 6 HG SER 6 10.919 30.805 -8.089 27 H GLY 7 H GLY 7 11.904 30.109 -4.591 28 HA2 GLY 7 1HA GLY 7 14.288 28.619 -5.280 29 HA3 GLY 7 2HA GLY 7 14.139 28.994 -3.569 30 HA PRO 8 HA PRO 8 11.462 25.265 -5.035 31 HB2 PRO 8 1HB PRO 8 13.222 23.213 -4.777 32 HB3 PRO 8 2HB PRO 8 12.978 24.084 -6.296 33 HG2 PRO 8 1HG PRO 8 15.137 24.415 -4.248 34 HG3 PRO 8 2HG PRO 8 15.266 24.390 -6.017 35 HD2 PRO 8 1HD PRO 8 15.279 26.690 -4.588 36 HD3 PRO 8 2HD PRO 8 14.595 26.585 -6.223 37 H ALA 9 H ALA 9 10.721 23.557 -3.620 38 HA ALA 9 HA ALA 9 11.085 24.235 -0.833 39 HB1 ALA 9 1HB ALA 9 9.455 21.884 -1.410 40 HB2 ALA 9 2HB ALA 9 9.051 23.359 -0.531 41 HB3 ALA 9 3HB ALA 9 8.953 23.327 -2.292 42 H ARG 10 H ARG 10 11.430 22.535 0.806 43 HA ARG 10 HA ARG 10 13.085 20.306 -0.148 44 HB2 ARG 10 1HB ARG 10 14.754 20.725 1.565 45 HB3 ARG 10 2HB ARG 10 14.581 22.144 0.541 46 HG2 ARG 10 1HG ARG 10 14.626 23.133 2.590 47 HG3 ARG 10 2HG ARG 10 12.888 22.880 2.415 48 HD2 ARG 10 1HD ARG 10 13.177 22.014 4.503 49 HD3 ARG 10 2HD ARG 10 13.483 20.564 3.548 50 HE ARG 10 HE ARG 10 15.468 22.173 4.965 51 HH11 ARG 10 2HH1 ARG 10 14.724 19.449 2.929 52 HH12 ARG 10 1HH1 ARG 10 16.246 18.666 3.198 53 HH21 ARG 10 2HH2 ARG 10 17.476 21.152 5.326 54 HH22 ARG 10 1HH2 ARG 10 17.810 19.635 4.562 55 H PHE 11 H PHE 11 13.417 18.629 1.521 56 HA PHE 11 HA PHE 11 10.933 18.123 2.902 57 HB2 PHE 11 1HB PHE 11 13.453 16.498 2.548 58 HB3 PHE 11 2HB PHE 11 12.078 15.941 3.495 59 HD1 PHE 11 1HD PHE 11 9.932 15.457 2.396 60 HD2 PHE 11 2HD PHE 11 13.413 16.481 0.171 61 HE1 PHE 11 1HE PHE 11 8.882 14.575 0.353 62 HE2 PHE 11 2HE PHE 11 12.368 15.602 -1.876 63 HZ PHE 11 HZ PHE 11 10.099 14.648 -1.787 64 H THR 12 H THR 12 10.571 18.156 5.056 65 HA THR 12 HA THR 12 12.803 19.036 6.767 66 HB THR 12 HB THR 12 11.163 20.115 8.214 67 HG1 THR 12 1HG THR 12 9.341 18.861 7.912 68 HG21 THR 12 1HG2 THR 12 12.099 21.402 6.340 69 HG22 THR 12 2HG2 THR 12 10.454 21.911 6.722 70 HG23 THR 12 3HG2 THR 12 10.756 20.883 5.321 71 H GLN 13 H GLN 13 10.452 16.610 6.222 72 HA GLN 13 HA GLN 13 11.270 15.275 8.705 73 HB2 GLN 13 1HB GLN 13 8.499 15.847 7.756 74 HB3 GLN 13 2HB GLN 13 8.800 14.332 8.596 75 HG2 GLN 13 1HG GLN 13 9.983 15.955 10.321 76 HG3 GLN 13 2HG GLN 13 8.857 17.113 9.613 77 HE21 GLN 13 1HE2 GLN 13 8.663 13.677 10.487 78 HE22 GLN 13 2HE2 GLN 13 7.241 13.829 11.457 79 H ASP 14 H ASP 14 12.531 13.717 7.856 80 HA ASP 14 HA ASP 14 12.582 12.490 5.482 81 HB2 ASP 14 1HB ASP 14 13.176 10.326 6.786 82 HB3 ASP 14 2HB ASP 14 14.195 11.748 6.995 83 H LEU 15 H LEU 15 11.442 11.051 4.293 84 HA LEU 15 HA LEU 15 8.727 10.735 4.612 85 HB2 LEU 15 1HB LEU 15 10.392 10.164 2.643 86 HB3 LEU 15 2HB LEU 15 10.254 8.538 3.309 87 HG LEU 15 HG LEU 15 7.829 10.134 2.535 88 HD11 LEU 15 1HD1 LEU 15 8.138 8.402 0.484 89 HD12 LEU 15 2HD1 LEU 15 9.816 8.843 0.797 90 HD13 LEU 15 3HD1 LEU 15 8.628 10.095 0.436 91 HD21 LEU 15 1HD2 LEU 15 8.300 7.589 3.709 92 HD22 LEU 15 2HD2 LEU 15 7.620 7.340 2.101 93 HD23 LEU 15 3HD2 LEU 15 6.762 8.337 3.276 94 H LYS 16 H LYS 16 7.383 9.057 5.318 95 HA LYS 16 HA LYS 16 8.655 7.100 7.117 96 HB2 LYS 16 1HB LYS 16 7.653 8.502 8.657 97 HB3 LYS 16 2HB LYS 16 6.333 8.923 7.574 98 HG2 LYS 16 1HG LYS 16 6.538 6.128 8.581 99 HG3 LYS 16 2HG LYS 16 5.927 7.392 9.652 100 HD2 LYS 16 1HD LYS 16 4.036 7.723 8.405 101 HD3 LYS 16 2HD LYS 16 4.811 7.225 6.900 102 HE2 LYS 16 1HE LYS 16 3.412 5.443 7.290 103 HE3 LYS 16 2HE LYS 16 4.895 4.886 8.064 104 HZ1 LYS 16 1HZ LYS 16 3.674 6.200 10.064 105 HZ2 LYS 16 2HZ LYS 16 3.565 4.532 9.809 106 HZ3 LYS 16 3HZ LYS 16 2.346 5.556 9.238 107 H THR 17 H THR 17 7.601 5.079 7.335 108 HA THR 17 HA THR 17 5.326 4.473 5.653 109 HB THR 17 HB THR 17 6.983 4.208 3.967 110 HG1 THR 17 1HG THR 17 7.011 1.766 3.855 111 HG21 THR 17 1HG2 THR 17 9.047 3.094 4.212 112 HG22 THR 17 2HG2 THR 17 8.561 2.360 5.741 113 HG23 THR 17 3HG2 THR 17 8.889 4.091 5.658 114 H LYS 18 H LYS 18 4.839 2.038 5.783 115 HA LYS 18 HA LYS 18 5.705 0.903 8.346 116 HB2 LYS 18 1HB LYS 18 3.594 0.680 9.215 117 HB3 LYS 18 2HB LYS 18 3.389 2.180 8.320 118 HG2 LYS 18 1HG LYS 18 2.603 -0.566 7.365 119 HG3 LYS 18 2HG LYS 18 1.509 0.678 7.976 120 HD2 LYS 18 1HD LYS 18 2.684 2.106 6.071 121 HD3 LYS 18 2HD LYS 18 2.937 0.503 5.375 122 HE2 LYS 18 1HE LYS 18 0.828 1.694 4.666 123 HE3 LYS 18 2HE LYS 18 0.614 0.065 5.305 124 HZ1 LYS 18 1HZ LYS 18 0.448 2.231 7.237 125 HZ2 LYS 18 2HZ LYS 18 -0.477 0.820 7.108 126 HZ3 LYS 18 3HZ LYS 18 -0.815 2.146 6.114 127 H GLU 19 H GLU 19 4.435 -1.389 8.490 128 HA GLU 19 HA GLU 19 4.989 -2.731 5.925 129 HB2 GLU 19 1HB GLU 19 5.825 -4.606 7.080 130 HB3 GLU 19 2HB GLU 19 6.526 -3.218 7.900 131 HG2 GLU 19 1HG GLU 19 4.468 -3.460 9.476 132 HG3 GLU 19 2HG GLU 19 4.416 -5.102 8.835 133 H ALA 20 H ALA 20 3.131 -3.225 4.964 134 HA ALA 20 HA ALA 20 0.871 -4.124 6.621 135 HB1 ALA 20 1HB ALA 20 1.073 -2.430 4.275 136 HB2 ALA 20 2HB ALA 20 -0.111 -3.721 4.070 137 HB3 ALA 20 3HB ALA 20 -0.246 -2.608 5.432 138 H SER 21 H SER 21 -0.583 -5.745 5.493 139 HA SER 21 HA SER 21 1.095 -7.937 4.543 140 HB2 SER 21 1HB SER 21 -0.676 -9.398 5.157 141 HB3 SER 21 2HB SER 21 -0.595 -8.189 6.439 142 HG SER 21 HG SER 21 -2.707 -8.825 5.131 143 H GLU 22 H GLU 22 0.214 -9.352 2.806 144 HA GLU 22 HA GLU 22 -0.098 -7.971 0.420 145 HB2 GLU 22 1HB GLU 22 -0.478 -10.797 1.270 146 HB3 GLU 22 2HB GLU 22 -1.144 -10.322 -0.287 147 HG2 GLU 22 1HG GLU 22 0.984 -9.716 -1.119 148 HG3 GLU 22 2HG GLU 22 1.714 -9.818 0.482 149 H GLY 23 H GLY 23 -1.775 -7.115 -0.655 150 HA2 GLY 23 1HA GLY 23 -4.026 -6.949 -1.347 151 HA3 GLY 23 2HA GLY 23 -4.501 -7.906 0.049 152 H ALA 24 H ALA 24 -2.661 -6.062 1.677 153 HA ALA 24 HA ALA 24 -4.721 -4.288 2.533 154 HB1 ALA 24 1HB ALA 24 -2.007 -3.669 3.438 155 HB2 ALA 24 2HB ALA 24 -3.464 -4.021 4.368 156 HB3 ALA 24 3HB ALA 24 -2.499 -5.341 3.708 157 H THR 25 H THR 25 -3.696 -1.900 3.071 158 HA THR 25 HA THR 25 -2.839 -0.812 0.469 159 HB THR 25 HB THR 25 -4.790 0.450 2.406 160 HG1 THR 25 1HG THR 25 -5.414 -0.175 -0.257 161 HG21 THR 25 1HG2 THR 25 -4.249 1.498 -0.336 162 HG22 THR 25 2HG2 THR 25 -3.127 1.895 0.966 163 HG23 THR 25 3HG2 THR 25 -4.826 2.344 1.099 164 H ALA 26 H ALA 26 -0.860 -0.005 0.641 165 HA ALA 26 HA ALA 26 0.446 0.568 3.060 166 HB1 ALA 26 1HB ALA 26 1.176 0.363 0.392 167 HB2 ALA 26 2HB ALA 26 1.553 2.031 0.822 168 HB3 ALA 26 3HB ALA 26 2.243 0.703 1.755 169 H THR 27 H THR 27 1.597 2.852 3.242 170 HA THR 27 HA THR 27 0.013 5.130 2.569 171 HB THR 27 HB THR 27 -0.037 4.200 5.446 172 HG1 THR 27 1HG THR 27 -2.422 4.615 4.826 173 HG21 THR 27 1HG2 THR 27 0.333 6.668 5.137 174 HG22 THR 27 2HG2 THR 27 -1.147 6.242 5.996 175 HG23 THR 27 3HG2 THR 27 -1.218 6.728 4.302 176 H LEU 28 H LEU 28 1.724 6.329 1.987 177 HA LEU 28 HA LEU 28 3.933 6.613 3.916 178 HB2 LEU 28 1HB LEU 28 3.965 7.088 0.939 179 HB3 LEU 28 2HB LEU 28 5.339 7.252 2.030 180 HG LEU 28 HG LEU 28 4.734 4.693 2.507 181 HD11 LEU 28 1HD1 LEU 28 4.390 4.265 -0.276 182 HD12 LEU 28 2HD1 LEU 28 3.110 5.344 0.276 183 HD13 LEU 28 3HD1 LEU 28 3.338 3.778 1.053 184 HD21 LEU 28 1HD2 LEU 28 6.917 5.380 1.880 185 HD22 LEU 28 2HD2 LEU 28 6.382 5.838 0.263 186 HD23 LEU 28 3HD2 LEU 28 6.424 4.137 0.729 187 H GLN 29 H GLN 29 3.939 8.470 4.980 188 HA GLN 29 HA GLN 29 2.796 10.848 3.669 189 HB2 GLN 29 1HB GLN 29 2.876 10.070 6.583 190 HB3 GLN 29 2HB GLN 29 2.452 11.685 6.032 191 HG2 GLN 29 1HG GLN 29 0.622 10.636 4.677 192 HG3 GLN 29 2HG GLN 29 0.980 9.120 5.503 193 HE21 GLN 29 1HE2 GLN 29 -1.454 9.760 5.870 194 HE22 GLN 29 2HE2 GLN 29 -1.760 10.522 7.390 195 H CYS 30 H CYS 30 3.998 12.665 3.526 196 HA CYS 30 HA CYS 30 6.559 12.761 4.959 197 HB2 CYS 30 1HB CYS 30 7.777 13.371 3.010 198 HB3 CYS 30 2HB CYS 30 6.835 11.951 2.573 199 HG CYS 30 HG CYS 30 5.595 13.003 0.585 200 H GLU 31 H GLU 31 7.570 15.001 4.747 201 HA GLU 31 HA GLU 31 5.460 17.056 4.764 202 HB2 GLU 31 1HB GLU 31 6.528 16.258 7.032 203 HB3 GLU 31 2HB GLU 31 7.856 17.297 6.537 204 HG2 GLU 31 1HG GLU 31 6.590 19.219 6.690 205 HG3 GLU 31 2HG GLU 31 5.065 18.350 6.531 206 H LEU 32 H LEU 32 6.196 19.237 4.312 207 HA LEU 32 HA LEU 32 8.759 19.396 2.893 208 HB2 LEU 32 1HB LEU 32 6.131 20.418 1.825 209 HB3 LEU 32 2HB LEU 32 7.709 20.643 1.073 210 HG LEU 32 HG LEU 32 6.520 17.918 1.526 211 HD11 LEU 32 1HD1 LEU 32 6.336 18.646 -1.193 212 HD12 LEU 32 2HD1 LEU 32 5.579 19.934 -0.256 213 HD13 LEU 32 3HD1 LEU 32 5.028 18.269 -0.072 214 HD21 LEU 32 1HD2 LEU 32 8.688 17.513 0.991 215 HD22 LEU 32 2HD2 LEU 32 8.884 19.047 0.143 216 HD23 LEU 32 3HD2 LEU 32 8.054 17.704 -0.644 217 H SER 33 H SER 33 9.626 21.520 2.707 218 HA SER 33 HA SER 33 9.213 23.128 4.993 219 HB2 SER 33 1HB SER 33 11.379 23.269 4.147 220 HB3 SER 33 2HB SER 33 10.826 23.421 2.479 221 HG SER 33 HG SER 33 10.495 25.395 4.494 222 H LYS 34 H LYS 34 7.819 23.130 1.830 223 HA LYS 34 HA LYS 34 5.843 25.039 2.583 224 HB2 LYS 34 1HB LYS 34 6.359 26.747 0.894 225 HB3 LYS 34 2HB LYS 34 7.641 26.613 2.090 226 HG2 LYS 34 1HG LYS 34 9.121 25.669 0.596 227 HG3 LYS 34 2HG LYS 34 7.838 25.088 -0.467 228 HD2 LYS 34 1HD LYS 34 7.597 27.111 -1.508 229 HD3 LYS 34 2HD LYS 34 8.117 28.024 -0.090 230 HE2 LYS 34 1HE LYS 34 10.425 27.292 -0.477 231 HE3 LYS 34 2HE LYS 34 9.898 26.395 -1.900 232 HZ1 LYS 34 1HZ LYS 34 9.256 29.247 -1.755 233 HZ2 LYS 34 2HZ LYS 34 9.608 28.288 -3.103 234 HZ3 LYS 34 3HZ LYS 34 10.857 28.813 -2.090 235 H VAL 35 H VAL 35 4.145 25.219 1.039 236 HA VAL 35 HA VAL 35 3.429 22.926 -0.280 237 HB VAL 35 HB VAL 35 2.626 25.739 -1.037 238 HG11 VAL 35 1HG1 VAL 35 0.685 24.764 -2.070 239 HG12 VAL 35 2HG1 VAL 35 2.130 24.024 -2.763 240 HG13 VAL 35 3HG1 VAL 35 1.177 23.148 -1.564 241 HG21 VAL 35 1HG2 VAL 35 2.168 25.308 1.291 242 HG22 VAL 35 2HG2 VAL 35 0.652 25.276 0.390 243 HG23 VAL 35 3HG2 VAL 35 1.410 23.766 0.894 244 H ALA 36 H ALA 36 4.424 21.887 -1.870 245 HA ALA 36 HA ALA 36 5.090 23.282 -4.318 246 HB1 ALA 36 1HB ALA 36 7.415 22.052 -4.211 247 HB2 ALA 36 2HB ALA 36 7.192 23.648 -3.493 248 HB3 ALA 36 3HB ALA 36 7.163 22.210 -2.473 249 HA PRO 37 HA PRO 37 3.780 19.460 -6.054 250 HB2 PRO 37 1HB PRO 37 4.972 19.625 -8.488 251 HB3 PRO 37 2HB PRO 37 3.566 20.598 -8.039 252 HG2 PRO 37 1HG PRO 37 6.463 21.354 -8.068 253 HG3 PRO 37 2HG PRO 37 5.058 22.284 -8.621 254 HD2 PRO 37 1HD PRO 37 6.248 22.727 -6.229 255 HD3 PRO 37 2HD PRO 37 4.507 22.960 -6.487 256 H VAL 38 H VAL 38 4.464 17.417 -5.876 257 HA VAL 38 HA VAL 38 7.329 16.843 -6.221 258 HB VAL 38 HB VAL 38 7.413 15.447 -4.309 259 HG11 VAL 38 1HG1 VAL 38 5.996 18.034 -3.708 260 HG12 VAL 38 2HG1 VAL 38 6.702 17.004 -2.461 261 HG13 VAL 38 3HG1 VAL 38 7.731 17.720 -3.702 262 HG21 VAL 38 1HG2 VAL 38 4.429 15.770 -4.248 263 HG22 VAL 38 2HG2 VAL 38 5.375 14.285 -4.335 264 HG23 VAL 38 3HG2 VAL 38 5.335 15.218 -2.839 265 H GLU 39 H GLU 39 7.712 14.420 -6.394 266 HA GLU 39 HA GLU 39 5.464 12.984 -7.588 267 HB2 GLU 39 1HB GLU 39 6.591 14.118 -9.455 268 HB3 GLU 39 2HB GLU 39 8.115 13.380 -8.985 269 HG2 GLU 39 1HG GLU 39 7.502 11.947 -10.629 270 HG3 GLU 39 2HG GLU 39 6.721 11.158 -9.260 271 H TRP 40 H TRP 40 5.467 10.857 -7.134 272 HA TRP 40 HA TRP 40 7.612 9.848 -5.449 273 HB2 TRP 40 1HB TRP 40 4.971 8.587 -6.222 274 HB3 TRP 40 2HB TRP 40 6.098 7.956 -5.025 275 HD1 TRP 40 HD TRP 40 3.950 11.139 -5.587 276 HE1 TRP 40 1HE TRP 40 3.208 12.008 -3.280 277 HE3 TRP 40 3HE TRP 40 6.446 7.805 -2.621 278 HZ2 TRP 40 2HZ TRP 40 3.627 11.366 -0.564 279 HZ3 TRP 40 3HZ TRP 40 6.223 8.002 -0.179 280 HH2 TRP 40 HH TRP 40 4.843 9.747 0.827 281 H LYS 41 H LYS 41 8.981 8.208 -5.959 282 HA LYS 41 HA LYS 41 8.688 6.952 -8.603 283 HB2 LYS 41 1HB LYS 41 11.010 8.455 -7.489 284 HB3 LYS 41 2HB LYS 41 11.344 7.043 -8.483 285 HG2 LYS 41 1HG LYS 41 9.598 8.243 -10.086 286 HG3 LYS 41 2HG LYS 41 10.198 9.667 -9.231 287 HD2 LYS 41 1HD LYS 41 12.525 8.885 -9.780 288 HD3 LYS 41 2HD LYS 41 11.791 7.664 -10.823 289 HE2 LYS 41 1HE LYS 41 12.526 9.754 -11.995 290 HE3 LYS 41 2HE LYS 41 10.830 9.330 -12.227 291 HZ1 LYS 41 1HZ LYS 41 10.163 10.993 -10.705 292 HZ2 LYS 41 2HZ LYS 41 11.273 11.725 -11.750 293 HZ3 LYS 41 3HZ LYS 41 11.749 11.278 -10.190 294 H LYS 42 H LYS 42 9.362 4.831 -8.767 295 HA LYS 42 HA LYS 42 10.118 3.538 -6.228 296 HB2 LYS 42 1HB LYS 42 7.805 3.033 -7.144 297 HB3 LYS 42 2HB LYS 42 8.605 2.229 -8.488 298 HG2 LYS 42 1HG LYS 42 9.690 0.697 -6.900 299 HG3 LYS 42 2HG LYS 42 8.823 1.483 -5.578 300 HD2 LYS 42 1HD LYS 42 6.726 0.740 -6.390 301 HD3 LYS 42 2HD LYS 42 7.420 0.246 -7.937 302 HE2 LYS 42 1HE LYS 42 8.888 -1.301 -6.376 303 HE3 LYS 42 2HE LYS 42 7.520 -1.099 -5.283 304 HZ1 LYS 42 1HZ LYS 42 7.505 -2.257 -8.010 305 HZ2 LYS 42 2HZ LYS 42 6.089 -1.814 -7.199 306 HZ3 LYS 42 3HZ LYS 42 7.090 -3.017 -6.557 307 H GLY 43 H GLY 43 12.133 4.532 -7.773 308 HA2 GLY 43 1HA GLY 43 14.201 3.183 -8.036 309 HA3 GLY 43 2HA GLY 43 13.244 2.101 -9.038 310 HA PRO 44 HA PRO 44 15.405 4.796 -12.017 311 HB2 PRO 44 1HB PRO 44 15.499 2.909 -13.967 312 HB3 PRO 44 2HB PRO 44 16.683 2.998 -12.657 313 HG2 PRO 44 1HG PRO 44 14.287 1.224 -12.928 314 HG3 PRO 44 2HG PRO 44 15.920 0.820 -12.368 315 HD2 PRO 44 1HD PRO 44 13.860 1.249 -10.664 316 HD3 PRO 44 2HD PRO 44 15.539 1.658 -10.255 317 H GLU 45 H GLU 45 12.328 3.710 -11.673 318 HA GLU 45 HA GLU 45 11.483 4.811 -14.273 319 HB2 GLU 45 1HB GLU 45 10.439 2.541 -12.640 320 HB3 GLU 45 2HB GLU 45 9.298 3.477 -13.596 321 HG2 GLU 45 1HG GLU 45 11.703 1.984 -14.612 322 HG3 GLU 45 2HG GLU 45 10.010 1.554 -14.844 323 H THR 46 H THR 46 9.149 5.674 -14.140 324 HA THR 46 HA THR 46 8.882 7.270 -11.674 325 HB THR 46 HB THR 46 7.776 8.233 -14.284 326 HG1 THR 46 1HG THR 46 9.924 9.420 -14.343 327 HG21 THR 46 1HG2 THR 46 8.405 10.438 -13.198 328 HG22 THR 46 2HG2 THR 46 8.761 9.511 -11.740 329 HG23 THR 46 3HG2 THR 46 7.127 9.521 -12.403 330 H LEU 47 H LEU 47 7.006 7.141 -10.612 331 HA LEU 47 HA LEU 47 4.901 5.463 -11.715 332 HB2 LEU 47 1HB LEU 47 5.102 6.740 -8.993 333 HB3 LEU 47 2HB LEU 47 3.959 5.492 -9.486 334 HG LEU 47 HG LEU 47 6.889 4.927 -9.618 335 HD11 LEU 47 1HD1 LEU 47 6.023 3.938 -7.170 336 HD12 LEU 47 2HD1 LEU 47 5.441 5.602 -7.213 337 HD13 LEU 47 3HD1 LEU 47 7.157 5.261 -7.439 338 HD21 LEU 47 1HD2 LEU 47 4.599 3.498 -10.190 339 HD22 LEU 47 2HD2 LEU 47 5.066 2.909 -8.595 340 HD23 LEU 47 3HD2 LEU 47 6.210 2.827 -9.935 341 H ARG 48 H ARG 48 2.587 6.212 -11.042 342 HA ARG 48 HA ARG 48 2.194 9.080 -11.307 343 HB2 ARG 48 1HB ARG 48 1.034 7.135 -13.311 344 HB3 ARG 48 2HB ARG 48 0.701 8.860 -13.237 345 HG2 ARG 48 1HG ARG 48 2.276 8.843 -14.875 346 HG3 ARG 48 2HG ARG 48 3.322 9.025 -13.466 347 HD2 ARG 48 1HD ARG 48 4.308 7.331 -14.773 348 HD3 ARG 48 2HD ARG 48 3.500 6.498 -13.447 349 HE ARG 48 HE ARG 48 2.023 5.570 -14.954 350 HH11 ARG 48 2HH1 ARG 48 3.933 8.028 -16.512 351 HH12 ARG 48 1HH1 ARG 48 3.418 7.600 -18.110 352 HH21 ARG 48 2HH2 ARG 48 1.337 4.997 -17.052 353 HH22 ARG 48 1HH2 ARG 48 1.941 5.876 -18.416 354 H ASP 49 H ASP 49 0.218 9.790 -10.541 355 HA ASP 49 HA ASP 49 -1.064 8.196 -8.617 356 HB2 ASP 49 1HB ASP 49 -2.505 10.034 -8.245 357 HB3 ASP 49 2HB ASP 49 -0.975 10.746 -8.751 358 H GLY 50 H GLY 50 -3.298 7.498 -8.554 359 HA2 GLY 50 1HA GLY 50 -5.333 6.867 -9.589 360 HA3 GLY 50 2HA GLY 50 -4.577 7.097 -11.159 361 H GLY 51 H GLY 51 -5.902 4.915 -11.176 362 HA2 GLY 51 1HA GLY 51 -5.807 2.637 -11.441 363 HA3 GLY 51 2HA GLY 51 -4.069 2.850 -11.589 364 H ARG 52 H ARG 52 -2.821 1.964 -10.075 365 HA ARG 52 HA ARG 52 -4.130 0.976 -7.635 366 HB2 ARG 52 1HB ARG 52 -1.716 0.030 -9.168 367 HB3 ARG 52 2HB ARG 52 -2.035 -0.498 -7.521 368 HG2 ARG 52 1HG ARG 52 -4.268 -1.311 -8.307 369 HG3 ARG 52 2HG ARG 52 -3.741 -0.958 -9.954 370 HD2 ARG 52 1HD ARG 52 -1.996 -2.632 -8.214 371 HD3 ARG 52 2HD ARG 52 -3.446 -3.357 -8.907 372 HE ARG 52 HE ARG 52 -2.118 -2.084 -10.979 373 HH11 ARG 52 2HH1 ARG 52 -1.518 -4.685 -8.744 374 HH12 ARG 52 1HH1 ARG 52 -0.479 -5.550 -9.827 375 HH21 ARG 52 2HH2 ARG 52 -0.752 -3.213 -12.414 376 HH22 ARG 52 1HH2 ARG 52 -0.043 -4.712 -11.914 377 H TYR 53 H TYR 53 -3.287 3.697 -7.872 378 HA TYR 53 HA TYR 53 -1.639 3.854 -5.516 379 HB2 TYR 53 1HB TYR 53 -0.628 4.939 -8.151 380 HB3 TYR 53 2HB TYR 53 0.046 5.368 -6.583 381 HD1 TYR 53 1HD TYR 53 1.159 3.603 -5.203 382 HD2 TYR 53 2HD TYR 53 -0.044 2.906 -9.225 383 HE1 TYR 53 1HE TYR 53 2.647 1.648 -5.303 384 HE2 TYR 53 2HE TYR 53 1.440 0.948 -9.335 385 HH TYR 53 HH TYR 53 2.475 -0.703 -7.136 386 H SER 54 H SER 54 -2.568 5.351 -4.305 387 HA SER 54 HA SER 54 -3.868 7.637 -5.637 388 HB2 SER 54 1HB SER 54 -4.707 5.931 -3.340 389 HB3 SER 54 2HB SER 54 -5.134 7.641 -3.291 390 HG SER 54 HG SER 54 -6.044 5.624 -4.964 391 H LEU 55 H LEU 55 -2.921 9.524 -5.292 392 HA LEU 55 HA LEU 55 -1.361 9.887 -2.818 393 HB2 LEU 55 1HB LEU 55 -0.886 11.305 -5.429 394 HB3 LEU 55 2HB LEU 55 0.145 11.305 -3.999 395 HG LEU 55 HG LEU 55 0.353 8.757 -4.462 396 HD11 LEU 55 1HD1 LEU 55 -0.900 8.075 -6.182 397 HD12 LEU 55 2HD1 LEU 55 0.345 8.802 -7.196 398 HD13 LEU 55 3HD1 LEU 55 -1.112 9.713 -6.800 399 HD21 LEU 55 1HD2 LEU 55 2.413 9.321 -5.076 400 HD22 LEU 55 2HD2 LEU 55 1.866 10.997 -5.127 401 HD23 LEU 55 3HD2 LEU 55 1.841 10.015 -6.593 402 H LYS 56 H LYS 56 -1.622 11.754 -1.659 403 HA LYS 56 HA LYS 56 -3.489 13.768 -2.691 404 HB2 LYS 56 1HB LYS 56 -4.772 12.213 -1.269 405 HB3 LYS 56 2HB LYS 56 -3.661 12.522 0.059 406 HG2 LYS 56 1HG LYS 56 -5.398 13.914 0.593 407 HG3 LYS 56 2HG LYS 56 -4.356 15.009 -0.318 408 HD2 LYS 56 1HD LYS 56 -6.506 15.380 -1.179 409 HD3 LYS 56 2HD LYS 56 -5.727 14.330 -2.364 410 HE2 LYS 56 1HE LYS 56 -6.807 12.387 -1.173 411 HE3 LYS 56 2HE LYS 56 -7.742 13.570 -0.259 412 HZ1 LYS 56 1HZ LYS 56 -8.557 12.506 -2.554 413 HZ2 LYS 56 2HZ LYS 56 -7.778 13.886 -3.145 414 HZ3 LYS 56 3HZ LYS 56 -9.034 14.039 -2.022 415 H GLN 57 H GLN 57 -2.616 15.719 -2.544 416 HA GLN 57 HA GLN 57 -0.385 16.143 -0.701 417 HB2 GLN 57 1HB GLN 57 0.083 16.746 -2.980 418 HB3 GLN 57 2HB GLN 57 -1.377 17.720 -3.076 419 HG2 GLN 57 1HG GLN 57 -0.484 19.421 -1.783 420 HG3 GLN 57 2HG GLN 57 0.752 18.376 -1.086 421 HE21 GLN 57 1HE2 GLN 57 2.396 19.805 -1.627 422 HE22 GLN 57 2HE2 GLN 57 2.943 20.006 -3.253 423 H ASP 58 H ASP 58 -1.192 16.635 1.269 424 HA ASP 58 HA ASP 58 -3.384 18.540 1.508 425 HB2 ASP 58 1HB ASP 58 -2.019 16.634 3.361 426 HB3 ASP 58 2HB ASP 58 -2.863 18.019 4.049 427 H GLY 59 H GLY 59 -2.032 20.285 0.599 428 HA2 GLY 59 1HA GLY 59 -1.032 22.325 1.005 429 HA3 GLY 59 2HA GLY 59 -0.961 21.898 2.709 430 H THR 60 H THR 60 0.909 21.113 3.565 431 HA THR 60 HA THR 60 3.229 21.095 1.758 432 HB THR 60 HB THR 60 4.572 21.372 3.873 433 HG1 THR 60 1HG THR 60 2.973 20.663 5.353 434 HG21 THR 60 1HG2 THR 60 2.986 23.751 4.078 435 HG22 THR 60 2HG2 THR 60 3.107 23.267 2.387 436 HG23 THR 60 3HG2 THR 60 4.570 23.534 3.335 437 H ARG 61 H ARG 61 1.196 18.911 2.821 438 HA ARG 61 HA ARG 61 3.293 16.906 3.331 439 HB2 ARG 61 1HB ARG 61 0.718 17.398 4.742 440 HB3 ARG 61 2HB ARG 61 1.218 15.727 4.521 441 HG2 ARG 61 1HG ARG 61 3.077 15.964 5.867 442 HG3 ARG 61 2HG ARG 61 3.136 17.715 5.652 443 HD2 ARG 61 1HD ARG 61 0.970 16.251 7.153 444 HD3 ARG 61 2HD ARG 61 2.378 16.992 7.911 445 HE ARG 61 HE ARG 61 1.300 19.028 6.497 446 HH11 ARG 61 2HH1 ARG 61 -0.002 16.769 8.804 447 HH12 ARG 61 1HH1 ARG 61 -1.200 17.869 9.401 448 HH21 ARG 61 2HH2 ARG 61 -0.272 20.485 7.275 449 HH22 ARG 61 1HH2 ARG 61 -1.353 19.982 8.530 450 H CYS 62 H CYS 62 2.984 14.851 2.425 451 HA CYS 62 HA CYS 62 0.800 14.634 0.466 452 HB2 CYS 62 1HB CYS 62 3.731 14.048 0.047 453 HB3 CYS 62 2HB CYS 62 2.475 13.434 -1.021 454 HG CYS 62 HG CYS 62 3.573 16.622 -0.636 455 H GLU 63 H GLU 63 -0.220 12.708 0.383 456 HA GLU 63 HA GLU 63 0.908 10.512 1.993 457 HB2 GLU 63 1HB GLU 63 -1.004 11.489 3.138 458 HB3 GLU 63 2HB GLU 63 -1.989 11.319 1.692 459 HG2 GLU 63 1HG GLU 63 -1.619 8.837 1.865 460 HG3 GLU 63 2HG GLU 63 -0.907 9.137 3.450 461 H LEU 64 H LEU 64 1.280 8.699 0.910 462 HA LEU 64 HA LEU 64 -0.107 8.295 -1.657 463 HB2 LEU 64 1HB LEU 64 2.166 8.551 -2.141 464 HB3 LEU 64 2HB LEU 64 2.661 7.605 -0.739 465 HG LEU 64 HG LEU 64 1.823 5.568 -1.860 466 HD11 LEU 64 1HD1 LEU 64 0.202 6.926 -3.309 467 HD12 LEU 64 2HD1 LEU 64 1.019 5.548 -4.046 468 HD13 LEU 64 3HD1 LEU 64 1.586 7.186 -4.372 469 HD21 LEU 64 1HD2 LEU 64 4.198 6.535 -2.071 470 HD22 LEU 64 2HD2 LEU 64 3.722 6.959 -3.716 471 HD23 LEU 64 3HD2 LEU 64 3.704 5.272 -3.199 472 H GLN 65 H GLN 65 -1.261 6.483 -1.959 473 HA GLN 65 HA GLN 65 -1.071 4.380 0.097 474 HB2 GLN 65 1HB GLN 65 -3.443 5.721 -1.116 475 HB3 GLN 65 2HB GLN 65 -3.577 4.021 -0.688 476 HG2 GLN 65 1HG GLN 65 -2.989 4.527 1.609 477 HG3 GLN 65 2HG GLN 65 -2.779 6.228 1.196 478 HE21 GLN 65 1HE2 GLN 65 -4.391 6.122 3.103 479 HE22 GLN 65 2HE2 GLN 65 -6.059 6.161 2.656 480 H ILE 66 H ILE 66 -0.761 2.353 -0.596 481 HA ILE 66 HA ILE 66 -0.876 1.878 -3.501 482 HB ILE 66 HB ILE 66 0.698 0.220 -1.545 483 HG12 ILE 66 1HG1 ILE 66 1.952 2.370 -3.219 484 HG13 ILE 66 2HG1 ILE 66 1.269 2.769 -1.647 485 HG21 ILE 66 1HG2 ILE 66 0.827 -1.024 -3.406 486 HG22 ILE 66 2HG2 ILE 66 0.317 0.305 -4.446 487 HG23 ILE 66 3HG2 ILE 66 2.000 0.182 -3.935 488 HD11 ILE 66 1HD1 ILE 66 2.762 0.701 -0.915 489 HD12 ILE 66 2HD1 ILE 66 3.683 1.210 -2.330 490 HD13 ILE 66 3HD1 ILE 66 3.394 2.344 -1.011 491 H HIS 67 H HIS 67 -3.037 1.239 -3.588 492 HA HIS 67 HA HIS 67 -4.241 -0.640 -1.879 493 HB2 HIS 67 1HB HIS 67 -4.920 -0.002 -4.758 494 HB3 HIS 67 2HB HIS 67 -5.970 -0.835 -3.616 495 HD1 HIS 67 1HD HIS 67 -6.880 0.631 -1.595 496 HD2 HIS 67 2HD HIS 67 -5.000 2.740 -4.641 497 HE1 HIS 67 1HE HIS 67 -7.544 3.033 -1.259 498 HE2 HIS 67 2HE HIS 67 -6.464 4.278 -3.163 499 H ASP 68 H ASP 68 -4.586 -2.842 -2.061 500 HA ASP 68 HA ASP 68 -4.110 -5.008 -2.566 501 HB2 ASP 68 1HB ASP 68 -3.522 -3.791 -5.269 502 HB3 ASP 68 2HB ASP 68 -3.536 -5.525 -4.959 503 H LEU 69 H LEU 69 -2.209 -3.911 -1.095 504 HA LEU 69 HA LEU 69 0.369 -3.658 -2.013 505 HB2 LEU 69 1HB LEU 69 -0.848 -4.502 0.555 506 HB3 LEU 69 2HB LEU 69 0.872 -4.816 0.336 507 HG LEU 69 HG LEU 69 -0.420 -2.099 0.110 508 HD11 LEU 69 1HD1 LEU 69 0.994 -3.462 2.385 509 HD12 LEU 69 2HD1 LEU 69 -0.604 -2.716 2.376 510 HD13 LEU 69 3HD1 LEU 69 0.839 -1.708 2.270 511 HD21 LEU 69 1HD2 LEU 69 2.366 -2.036 0.658 512 HD22 LEU 69 2HD2 LEU 69 1.507 -1.432 -0.760 513 HD23 LEU 69 3HD2 LEU 69 2.101 -3.093 -0.729 514 H SER 70 H SER 70 2.106 -5.036 -2.338 515 HA SER 70 HA SER 70 1.653 -7.915 -2.205 516 HB2 SER 70 1HB SER 70 2.241 -6.393 -4.740 517 HB3 SER 70 2HB SER 70 2.640 -8.102 -4.569 518 HG SER 70 HG SER 70 0.646 -8.356 -5.202 519 H VAL 71 H VAL 71 3.566 -9.156 -2.187 520 HA VAL 71 HA VAL 71 5.715 -8.112 -0.800 521 HB VAL 71 HB VAL 71 6.964 -10.162 -1.922 522 HG11 VAL 71 1HG1 VAL 71 5.878 -9.781 0.438 523 HG12 VAL 71 2HG1 VAL 71 4.676 -10.920 -0.171 524 HG13 VAL 71 3HG1 VAL 71 6.373 -11.392 -0.079 525 HG21 VAL 71 1HG2 VAL 71 5.729 -11.639 -3.104 526 HG22 VAL 71 2HG2 VAL 71 4.254 -11.297 -2.199 527 HG23 VAL 71 3HG2 VAL 71 4.773 -10.206 -3.484 528 H ALA 72 H ALA 72 5.040 -7.970 -4.179 529 HA ALA 72 HA ALA 72 7.724 -7.466 -5.044 530 HB1 ALA 72 1HB ALA 72 6.755 -7.990 -6.971 531 HB2 ALA 72 2HB ALA 72 5.146 -7.809 -6.270 532 HB3 ALA 72 3HB ALA 72 5.974 -6.409 -6.951 533 H ASP 73 H ASP 73 5.036 -5.519 -3.947 534 HA ASP 73 HA ASP 73 6.076 -3.017 -4.841 535 HB2 ASP 73 1HB ASP 73 3.850 -3.905 -3.073 536 HB3 ASP 73 2HB ASP 73 4.414 -2.246 -2.901 537 H ALA 74 H ALA 74 6.725 -5.068 -2.167 538 HA ALA 74 HA ALA 74 7.659 -3.120 -0.328 539 HB1 ALA 74 1HB ALA 74 7.964 -4.862 1.041 540 HB2 ALA 74 2HB ALA 74 7.175 -5.812 -0.219 541 HB3 ALA 74 3HB ALA 74 8.936 -5.739 -0.141 542 H GLY 75 H GLY 75 9.168 -1.712 -1.053 543 HA2 GLY 75 1HA GLY 75 11.825 -2.755 -1.549 544 HA3 GLY 75 2HA GLY 75 11.101 -1.920 -2.916 545 H GLU 76 H GLU 76 11.746 0.110 -3.094 546 HA GLU 76 HA GLU 76 11.981 1.742 -0.671 547 HB2 GLU 76 1HB GLU 76 14.246 1.017 -1.149 548 HB3 GLU 76 2HB GLU 76 14.086 1.517 -2.826 549 HG2 GLU 76 1HG GLU 76 13.624 3.860 -1.810 550 HG3 GLU 76 2HG GLU 76 14.398 3.189 -0.376 551 H TYR 77 H TYR 77 10.624 3.378 -0.925 552 HA TYR 77 HA TYR 77 10.057 4.374 -3.621 553 HB2 TYR 77 1HB TYR 77 8.621 4.698 -0.985 554 HB3 TYR 77 2HB TYR 77 8.177 5.597 -2.431 555 HD1 TYR 77 1HD TYR 77 8.332 2.244 -0.912 556 HD2 TYR 77 2HD TYR 77 6.976 4.552 -4.219 557 HE1 TYR 77 1HE TYR 77 6.922 0.364 -1.638 558 HE2 TYR 77 2HE TYR 77 5.562 2.679 -4.953 559 HH TYR 77 HH TYR 77 5.467 0.233 -4.696 560 H SER 78 H SER 78 11.056 6.132 -4.314 561 HA SER 78 HA SER 78 12.224 7.974 -2.349 562 HB2 SER 78 1HB SER 78 12.840 8.133 -5.273 563 HB3 SER 78 2HB SER 78 13.873 8.493 -3.890 564 HG SER 78 HG SER 78 14.630 6.562 -4.175 565 H CYS 79 H CYS 79 11.634 10.071 -2.228 566 HA CYS 79 HA CYS 79 9.605 11.015 -4.145 567 HB2 CYS 79 1HB CYS 79 8.884 10.516 -1.709 568 HB3 CYS 79 2HB CYS 79 9.765 11.983 -1.302 569 HG CYS 79 HG CYS 79 7.790 12.653 -3.821 570 H MET 80 H MET 80 10.517 12.472 -5.434 571 HA MET 80 HA MET 80 12.614 14.220 -4.387 572 HB2 MET 80 1HB MET 80 11.720 14.211 -7.247 573 HB3 MET 80 2HB MET 80 13.309 14.564 -6.582 574 HG2 MET 80 1HG MET 80 13.520 12.160 -5.982 575 HG3 MET 80 2HG MET 80 12.005 11.867 -6.832 576 HE1 MET 80 1HE MET 80 15.475 10.673 -8.474 577 HE2 MET 80 2HE MET 80 14.331 10.343 -7.173 578 HE3 MET 80 3HE MET 80 13.879 10.021 -8.848 579 H CYS 81 H CYS 81 12.328 16.336 -4.022 580 HA CYS 81 HA CYS 81 9.895 17.622 -5.057 581 HB2 CYS 81 1HB CYS 81 9.390 17.107 -2.769 582 HB3 CYS 81 2HB CYS 81 10.950 17.714 -2.229 583 HG CYS 81 HG CYS 81 10.373 20.284 -2.217 584 H GLY 82 H GLY 82 10.836 18.906 -6.565 585 HA2 GLY 82 1HA GLY 82 11.863 20.828 -7.321 586 HA3 GLY 82 2HA GLY 82 12.261 21.213 -5.653 587 H GLN 83 H GLN 83 14.171 20.286 -4.724 588 HA GLN 83 HA GLN 83 16.121 19.357 -6.726 589 HB2 GLN 83 1HB GLN 83 16.589 21.295 -4.454 590 HB3 GLN 83 2HB GLN 83 17.858 20.612 -5.462 591 HG2 GLN 83 1HG GLN 83 15.590 22.083 -6.724 592 HG3 GLN 83 2HG GLN 83 16.914 22.973 -5.974 593 HE21 GLN 83 1HE2 GLN 83 18.756 23.232 -7.070 594 HE22 GLN 83 2HE2 GLN 83 19.112 22.506 -8.597 595 H GLU 84 H GLU 84 15.204 19.407 -3.309 596 HA GLU 84 HA GLU 84 17.118 17.509 -2.449 597 HB2 GLU 84 1HB GLU 84 14.560 18.579 -1.309 598 HB3 GLU 84 2HB GLU 84 15.358 17.214 -0.540 599 HG2 GLU 84 1HG GLU 84 16.466 19.975 -0.961 600 HG3 GLU 84 2HG GLU 84 16.044 19.206 0.568 601 H ARG 85 H ARG 85 16.096 15.458 -1.224 602 HA ARG 85 HA ARG 85 14.020 14.088 -2.619 603 HB2 ARG 85 1HB ARG 85 15.938 13.959 -4.246 604 HB3 ARG 85 2HB ARG 85 16.814 13.024 -3.042 605 HG2 ARG 85 1HG ARG 85 14.105 12.093 -3.810 606 HG3 ARG 85 2HG ARG 85 15.416 11.880 -4.971 607 HD2 ARG 85 1HD ARG 85 15.918 11.086 -2.155 608 HD3 ARG 85 2HD ARG 85 14.849 10.064 -3.116 609 HE ARG 85 HE ARG 85 17.033 10.431 -4.703 610 HH11 ARG 85 2HH1 ARG 85 16.527 9.264 -1.462 611 HH12 ARG 85 1HH1 ARG 85 17.889 8.194 -1.495 612 HH21 ARG 85 2HH2 ARG 85 18.829 9.025 -4.759 613 HH22 ARG 85 1HH2 ARG 85 19.198 8.059 -3.370 614 H THR 86 H THR 86 13.468 12.102 -1.648 615 HA THR 86 HA THR 86 15.021 11.278 0.691 616 HB THR 86 HB THR 86 13.109 12.931 1.291 617 HG1 THR 86 1HG THR 86 13.151 10.403 2.603 618 HG21 THR 86 1HG2 THR 86 11.501 10.394 0.995 619 HG22 THR 86 2HG2 THR 86 11.417 11.759 -0.119 620 HG23 THR 86 3HG2 THR 86 10.925 11.961 1.563 621 H SER 87 H SER 87 14.267 9.184 1.578 622 HA SER 87 HA SER 87 12.800 7.542 -0.359 623 HB2 SER 87 1HB SER 87 14.572 5.715 0.166 624 HB3 SER 87 2HB SER 87 14.979 6.975 -0.999 625 HG SER 87 HG SER 87 16.252 7.954 0.491 626 H ALA 88 H ALA 88 11.837 5.659 0.514 627 HA ALA 88 HA ALA 88 11.956 5.298 3.408 628 HB1 ALA 88 1HB ALA 88 9.699 6.480 1.977 629 HB2 ALA 88 2HB ALA 88 9.258 5.116 3.006 630 HB3 ALA 88 3HB ALA 88 10.095 6.507 3.696 631 H THR 89 H THR 89 12.549 3.225 3.506 632 HA THR 89 HA THR 89 11.917 1.277 1.552 633 HB THR 89 HB THR 89 12.825 0.807 4.398 634 HG1 THR 89 1HG THR 89 14.118 2.169 2.732 635 HG21 THR 89 1HG2 THR 89 13.822 -1.063 2.471 636 HG22 THR 89 2HG2 THR 89 12.063 -0.992 2.364 637 HG23 THR 89 3HG2 THR 89 12.838 -1.364 3.903 638 H LEU 90 H LEU 90 10.085 0.206 1.252 639 HA LEU 90 HA LEU 90 8.106 0.149 3.416 640 HB2 LEU 90 1HB LEU 90 7.236 1.089 1.420 641 HB3 LEU 90 2HB LEU 90 7.891 -0.221 0.439 642 HG LEU 90 HG LEU 90 6.262 -1.715 1.804 643 HD11 LEU 90 1HD1 LEU 90 4.743 0.860 2.028 644 HD12 LEU 90 2HD1 LEU 90 5.746 0.259 3.348 645 HD13 LEU 90 3HD1 LEU 90 4.390 -0.704 2.762 646 HD21 LEU 90 1HD2 LEU 90 5.155 0.236 -0.210 647 HD22 LEU 90 2HD2 LEU 90 4.551 -1.382 0.150 648 HD23 LEU 90 3HD2 LEU 90 6.127 -1.179 -0.617 649 H THR 91 H THR 91 7.311 -1.722 4.248 650 HA THR 91 HA THR 91 8.590 -4.212 3.326 651 HB THR 91 HB THR 91 7.538 -3.534 6.079 652 HG1 THR 91 1HG THR 91 9.693 -3.449 6.643 653 HG21 THR 91 1HG2 THR 91 7.381 -5.743 6.370 654 HG22 THR 91 2HG2 THR 91 9.137 -5.808 6.214 655 HG23 THR 91 3HG2 THR 91 8.116 -6.066 4.800 656 H VAL 92 H VAL 92 7.358 -5.949 2.817 657 HA VAL 92 HA VAL 92 4.450 -5.733 3.232 658 HB VAL 92 HB VAL 92 5.763 -6.853 0.753 659 HG11 VAL 92 1HG1 VAL 92 3.793 -7.869 0.511 660 HG12 VAL 92 2HG1 VAL 92 3.071 -6.955 1.837 661 HG13 VAL 92 3HG1 VAL 92 3.118 -6.268 0.213 662 HG21 VAL 92 1HG2 VAL 92 4.164 -4.316 0.894 663 HG22 VAL 92 2HG2 VAL 92 5.913 -4.324 1.121 664 HG23 VAL 92 3HG2 VAL 92 5.218 -4.886 -0.399 665 H ARG 93 H ARG 93 3.632 -7.399 4.306 666 HA ARG 93 HA ARG 93 5.235 -9.830 4.583 667 HB2 ARG 93 1HB ARG 93 3.020 -8.586 6.171 668 HB3 ARG 93 2HB ARG 93 3.341 -10.308 6.329 669 HG2 ARG 93 1HG ARG 93 5.611 -8.405 6.594 670 HG3 ARG 93 2HG ARG 93 4.465 -8.561 7.927 671 HD2 ARG 93 1HD ARG 93 5.953 -10.184 8.521 672 HD3 ARG 93 2HD ARG 93 4.877 -11.138 7.500 673 HE ARG 93 HE ARG 93 6.774 -10.212 5.782 674 HH11 ARG 93 2HH1 ARG 93 6.848 -11.992 8.773 675 HH12 ARG 93 1HH1 ARG 93 8.302 -12.848 8.379 676 HH21 ARG 93 2HH2 ARG 93 8.688 -11.333 5.251 677 HH22 ARG 93 1HH2 ARG 93 9.348 -12.473 6.376 678 H ALA 94 H ALA 94 4.742 -11.632 3.527 679 HA ALA 94 HA ALA 94 2.488 -11.754 1.779 680 HB1 ALA 94 1HB ALA 94 4.875 -13.355 2.307 681 HB2 ALA 94 2HB ALA 94 3.462 -14.306 1.847 682 HB3 ALA 94 3HB ALA 94 4.043 -13.021 0.787 683 H LEU 95 H LEU 95 0.617 -12.917 1.946 684 HA LEU 95 HA LEU 95 -0.594 -13.293 4.382 685 HB2 LEU 95 1HB LEU 95 -1.095 -14.706 1.771 686 HB3 LEU 95 2HB LEU 95 -2.162 -14.827 3.169 687 HG LEU 95 HG LEU 95 -1.789 -12.602 1.243 688 HD11 LEU 95 1HD1 LEU 95 -4.251 -12.378 1.798 689 HD12 LEU 95 2HD1 LEU 95 -4.075 -13.866 2.727 690 HD13 LEU 95 3HD1 LEU 95 -3.757 -13.868 0.993 691 HD21 LEU 95 1HD2 LEU 95 -2.411 -12.203 4.165 692 HD22 LEU 95 2HD2 LEU 95 -2.762 -11.016 2.908 693 HD23 LEU 95 3HD2 LEU 95 -1.093 -11.484 3.239 694 HA PRO 96 HA PRO 96 1.021 -16.965 6.170 695 HB2 PRO 96 1HB PRO 96 -1.154 -17.863 7.524 696 HB3 PRO 96 2HB PRO 96 -0.221 -16.451 8.033 697 HG2 PRO 96 1HG PRO 96 -2.796 -16.572 6.511 698 HG3 PRO 96 2HG PRO 96 -2.332 -15.495 7.841 699 HD2 PRO 96 1HD PRO 96 -2.279 -14.715 5.249 700 HD3 PRO 96 2HD PRO 96 -1.135 -14.094 6.456 701 H ALA 97 H ALA 97 1.409 -18.922 5.353 702 HA ALA 97 HA ALA 97 -0.720 -20.242 3.800 703 HB1 ALA 97 1HB ALA 97 2.268 -20.457 3.448 704 HB2 ALA 97 2HB ALA 97 1.054 -21.317 2.500 705 HB3 ALA 97 3HB ALA 97 1.159 -19.559 2.411 706 H ARG 98 H ARG 98 -0.963 -20.732 6.379 707 HA ARG 98 HA ARG 98 0.536 -23.155 7.036 708 HB2 ARG 98 1HB ARG 98 -1.140 -21.232 8.598 709 HB3 ARG 98 2HB ARG 98 -0.916 -22.865 9.209 710 HG2 ARG 98 1HG ARG 98 1.455 -21.243 8.402 711 HG3 ARG 98 2HG ARG 98 0.682 -20.970 9.965 712 HD2 ARG 98 1HD ARG 98 0.920 -23.434 10.395 713 HD3 ARG 98 2HD ARG 98 1.905 -23.522 8.936 714 HE ARG 98 HE ARG 98 2.820 -21.553 10.812 715 HH11 ARG 98 2HH1 ARG 98 2.927 -24.918 9.927 716 HH12 ARG 98 1HH1 ARG 98 4.452 -25.207 10.699 717 HH21 ARG 98 2HH2 ARG 98 4.827 -21.921 11.832 718 HH22 ARG 98 1HH2 ARG 98 5.531 -23.502 11.783 719 H PHE 99 H PHE 99 -0.281 -25.103 6.671 720 HA PHE 99 HA PHE 99 -3.136 -25.341 6.050 721 HB2 PHE 99 1HB PHE 99 -0.861 -27.268 5.531 722 HB3 PHE 99 2HB PHE 99 -2.533 -27.504 5.031 723 HD1 PHE 99 2HD PHE 99 -3.543 -25.698 3.490 724 HD2 PHE 99 1HD PHE 99 0.635 -26.218 4.117 725 HE1 PHE 99 2HE PHE 99 -3.083 -24.505 1.389 726 HE2 PHE 99 1HE PHE 99 1.102 -25.024 2.017 727 HZ PHE 99 HZ PHE 99 -0.758 -24.167 0.649 728 H THR 100 H THR 100 -4.142 -25.543 7.998 729 HA THR 100 HA THR 100 -3.327 -27.834 9.667 730 HB THR 100 HB THR 100 -2.960 -25.670 10.812 731 HG1 THR 100 1HG THR 100 -4.482 -26.255 12.641 732 HG21 THR 100 1HG2 THR 100 -5.862 -25.328 10.166 733 HG22 THR 100 2HG2 THR 100 -4.540 -24.169 10.027 734 HG23 THR 100 3HG2 THR 100 -5.189 -24.581 11.614 735 H GLU 101 H GLU 101 -5.051 -28.944 10.789 736 HA GLU 101 HA GLU 101 -7.579 -28.833 9.287 737 HB2 GLU 101 1HB GLU 101 -6.342 -30.955 9.107 738 HB3 GLU 101 2HB GLU 101 -6.388 -31.126 10.856 739 HG2 GLU 101 1HG GLU 101 -8.065 -32.511 9.736 740 HG3 GLU 101 2HG GLU 101 -8.791 -31.323 10.816 741 H GLY 102 H GLY 102 -9.222 -27.928 10.323 742 HA2 GLY 102 1HA GLY 102 -9.205 -27.929 13.268 743 HA3 GLY 102 2HA GLY 102 -10.072 -26.783 12.257 744 H SER 103 H SER 103 -10.084 -29.981 13.640 745 HA SER 103 HA SER 103 -12.168 -31.260 12.485 746 HB2 SER 103 1HB SER 103 -10.823 -32.017 14.497 747 HB3 SER 103 2HB SER 103 -11.918 -31.055 15.490 748 HG SER 103 HG SER 103 -12.880 -32.997 13.680 749 H GLY 104 H GLY 104 -12.578 -28.996 15.219 750 HA2 GLY 104 1HA GLY 104 -14.336 -27.234 14.741 751 HA3 GLY 104 2HA GLY 104 -15.363 -28.597 14.320 752 HA PRO 105 HA PRO 105 -14.603 -28.832 19.103 753 HB2 PRO 105 1HB PRO 105 -13.512 -26.622 20.242 754 HB3 PRO 105 2HB PRO 105 -12.542 -27.976 19.649 755 HG2 PRO 105 1HG PRO 105 -13.137 -25.353 18.334 756 HG3 PRO 105 2HG PRO 105 -11.602 -26.237 18.424 757 HD2 PRO 105 1HD PRO 105 -13.182 -26.282 16.226 758 HD3 PRO 105 2HD PRO 105 -12.178 -27.664 16.709 759 H SER 106 H SER 106 -15.746 -27.810 20.943 760 HA SER 106 HA SER 106 -17.275 -25.432 20.529 761 HB2 SER 106 1HB SER 106 -19.481 -26.401 20.392 762 HB3 SER 106 2HB SER 106 -18.503 -27.080 19.091 763 HG SER 106 HG SER 106 -18.616 -28.990 19.993 764 H SER 107 H SER 107 -18.354 -24.750 22.395 765 HA SER 107 HA SER 107 -17.432 -26.060 24.827 766 HB2 SER 107 1HB SER 107 -18.680 -23.372 24.262 767 HB3 SER 107 2HB SER 107 -18.447 -23.968 25.905 768 HG SER 107 HG SER 107 -16.282 -24.022 24.130 769 H GLY 108 H GLY 108 -18.879 -26.417 26.638 770 HA2 GLY 108 1HA GLY 108 -20.885 -27.026 27.623 771 HA3 GLY 108 2HA GLY 108 -21.724 -26.447 26.192 Start of MODEL 19 1 H1 GLY 1 H GLY 1 16.706 37.438 -4.655 2 HA2 GLY 1 1HA GLY 1 17.475 40.104 -5.486 3 HA3 GLY 1 2HA GLY 1 15.758 39.909 -5.163 4 H SER 2 H SER 2 16.061 41.499 -3.482 5 HA SER 2 HA SER 2 17.649 40.715 -1.179 6 HB2 SER 2 1HB SER 2 17.592 43.083 -1.922 7 HB3 SER 2 2HB SER 2 15.868 43.135 -1.557 8 HG SER 2 HG SER 2 16.875 43.911 0.231 9 H SER 3 H SER 3 16.777 39.151 0.030 10 HA SER 3 HA SER 3 15.341 38.044 1.404 11 HB2 SER 3 1HB SER 3 14.134 40.805 1.480 12 HB3 SER 3 2HB SER 3 13.431 39.462 2.382 13 HG SER 3 HG SER 3 15.790 39.247 3.119 14 H GLY 4 H GLY 4 14.921 38.136 -1.524 15 HA2 GLY 4 1HA GLY 4 12.032 37.957 -1.828 16 HA3 GLY 4 2HA GLY 4 13.228 37.787 -3.104 17 H SER 5 H SER 5 10.866 36.150 -1.795 18 HA SER 5 HA SER 5 12.002 33.689 -0.992 19 HB2 SER 5 1HB SER 5 9.255 34.242 -2.142 20 HB3 SER 5 2HB SER 5 9.735 32.774 -1.292 21 HG SER 5 HG SER 5 9.331 35.365 -0.292 22 H SER 6 H SER 6 13.448 32.795 -2.369 23 HA SER 6 HA SER 6 12.410 31.918 -4.972 24 HB2 SER 6 1HB SER 6 14.874 33.512 -4.435 25 HB3 SER 6 2HB SER 6 14.949 32.274 -5.689 26 HG SER 6 HG SER 6 13.261 33.293 -6.754 27 H GLY 7 H GLY 7 12.787 29.828 -5.416 28 HA2 GLY 7 1HA GLY 7 14.611 28.065 -5.299 29 HA3 GLY 7 2HA GLY 7 14.567 28.368 -3.569 30 HA PRO 8 HA PRO 8 11.225 25.267 -5.143 31 HB2 PRO 8 1HB PRO 8 12.597 22.924 -5.107 32 HB3 PRO 8 2HB PRO 8 12.455 23.932 -6.552 33 HG2 PRO 8 1HG PRO 8 14.715 23.728 -4.600 34 HG3 PRO 8 2HG PRO 8 14.770 23.808 -6.371 35 HD2 PRO 8 1HD PRO 8 15.250 25.961 -4.800 36 HD3 PRO 8 2HD PRO 8 14.496 26.097 -6.402 37 H ALA 9 H ALA 9 10.394 23.404 -3.853 38 HA ALA 9 HA ALA 9 10.728 23.945 -1.048 39 HB1 ALA 9 1HB ALA 9 8.582 23.364 -1.158 40 HB2 ALA 9 2HB ALA 9 8.793 22.590 -2.730 41 HB3 ALA 9 3HB ALA 9 9.137 21.692 -1.251 42 H ARG 10 H ARG 10 11.729 22.725 0.474 43 HA ARG 10 HA ARG 10 13.130 20.308 -0.462 44 HB2 ARG 10 1HB ARG 10 14.949 20.836 1.046 45 HB3 ARG 10 2HB ARG 10 14.651 22.208 -0.013 46 HG2 ARG 10 1HG ARG 10 13.544 23.404 1.733 47 HG3 ARG 10 2HG ARG 10 13.584 21.992 2.791 48 HD2 ARG 10 1HD ARG 10 15.389 23.117 3.610 49 HD3 ARG 10 2HD ARG 10 16.184 22.185 2.342 50 HE ARG 10 HE ARG 10 15.532 24.449 1.056 51 HH11 ARG 10 2HH1 ARG 10 17.105 23.868 4.107 52 HH12 ARG 10 1HH1 ARG 10 18.061 25.310 4.037 53 HH21 ARG 10 2HH2 ARG 10 16.786 26.351 0.952 54 HH22 ARG 10 1HH2 ARG 10 17.878 26.723 2.242 55 H PHE 11 H PHE 11 12.936 18.483 0.717 56 HA PHE 11 HA PHE 11 10.826 18.117 2.475 57 HB2 PHE 11 1HB PHE 11 13.347 16.522 2.033 58 HB3 PHE 11 2HB PHE 11 12.085 15.992 3.141 59 HD1 PHE 11 2HD PHE 11 12.991 16.523 -0.357 60 HD2 PHE 11 1HD PHE 11 9.947 15.227 2.320 61 HE1 PHE 11 2HE PHE 11 11.780 15.496 -2.237 62 HE2 PHE 11 1HE PHE 11 8.731 14.197 0.445 63 HZ PHE 11 HZ PHE 11 9.647 14.332 -1.837 64 H THR 12 H THR 12 10.646 17.930 4.704 65 HA THR 12 HA THR 12 12.866 19.110 6.244 66 HB THR 12 HB THR 12 11.148 19.943 7.836 67 HG1 THR 12 1HG THR 12 9.099 19.458 7.553 68 HG21 THR 12 1HG2 THR 12 11.935 21.550 6.296 69 HG22 THR 12 2HG2 THR 12 10.177 21.684 6.248 70 HG23 THR 12 3HG2 THR 12 11.032 20.831 4.963 71 H GLN 13 H GLN 13 10.459 16.594 6.058 72 HA GLN 13 HA GLN 13 11.734 15.279 8.359 73 HB2 GLN 13 1HB GLN 13 8.851 15.818 7.870 74 HB3 GLN 13 2HB GLN 13 9.271 14.260 8.569 75 HG2 GLN 13 1HG GLN 13 10.290 16.826 9.730 76 HG3 GLN 13 2HG GLN 13 8.707 16.176 10.155 77 HE21 GLN 13 1HE2 GLN 13 11.559 16.484 11.412 78 HE22 GLN 13 2HE2 GLN 13 11.758 14.981 12.239 79 H ASP 14 H ASP 14 12.642 13.441 7.752 80 HA ASP 14 HA ASP 14 12.718 12.255 5.351 81 HB2 ASP 14 1HB ASP 14 13.187 10.099 6.482 82 HB3 ASP 14 2HB ASP 14 14.054 11.448 7.212 83 H LEU 15 H LEU 15 11.658 10.533 4.273 84 HA LEU 15 HA LEU 15 8.876 10.708 4.191 85 HB2 LEU 15 1HB LEU 15 10.617 9.744 2.499 86 HB3 LEU 15 2HB LEU 15 10.283 8.222 3.322 87 HG LEU 15 HG LEU 15 8.138 9.910 2.049 88 HD11 LEU 15 1HD1 LEU 15 10.053 8.957 0.535 89 HD12 LEU 15 2HD1 LEU 15 8.364 8.808 0.052 90 HD13 LEU 15 3HD1 LEU 15 9.198 7.433 0.777 91 HD21 LEU 15 1HD2 LEU 15 6.809 8.472 3.098 92 HD22 LEU 15 2HD2 LEU 15 8.182 7.513 3.650 93 HD23 LEU 15 3HD2 LEU 15 7.469 7.203 2.066 94 H LYS 16 H LYS 16 7.232 9.253 4.809 95 HA LYS 16 HA LYS 16 7.963 7.494 7.059 96 HB2 LYS 16 1HB LYS 16 6.469 9.699 7.325 97 HB3 LYS 16 2HB LYS 16 5.200 8.575 6.856 98 HG2 LYS 16 1HG LYS 16 7.070 7.764 9.017 99 HG3 LYS 16 2HG LYS 16 5.832 8.969 9.378 100 HD2 LYS 16 1HD LYS 16 4.555 7.163 9.812 101 HD3 LYS 16 2HD LYS 16 4.364 7.116 8.057 102 HE2 LYS 16 1HE LYS 16 4.997 4.951 8.483 103 HE3 LYS 16 2HE LYS 16 6.562 5.697 8.163 104 HZ1 LYS 16 1HZ LYS 16 6.609 4.294 10.138 105 HZ2 LYS 16 2HZ LYS 16 5.402 5.235 10.858 106 HZ3 LYS 16 3HZ LYS 16 6.919 5.910 10.534 107 H THR 17 H THR 17 7.712 5.421 6.594 108 HA THR 17 HA THR 17 5.541 4.641 4.758 109 HB THR 17 HB THR 17 7.701 4.260 3.698 110 HG1 THR 17 1HG THR 17 6.688 1.751 4.578 111 HG21 THR 17 1HG2 THR 17 9.439 2.997 4.622 112 HG22 THR 17 2HG2 THR 17 8.394 2.289 5.854 113 HG23 THR 17 3HG2 THR 17 8.878 3.980 5.973 114 H LYS 18 H LYS 18 4.627 2.508 5.115 115 HA LYS 18 HA LYS 18 4.892 1.588 7.901 116 HB2 LYS 18 1HB LYS 18 2.525 1.212 8.029 117 HB3 LYS 18 2HB LYS 18 2.783 2.868 7.496 118 HG2 LYS 18 1HG LYS 18 1.158 2.263 6.035 119 HG3 LYS 18 2HG LYS 18 2.569 1.747 5.108 120 HD2 LYS 18 1HD LYS 18 1.143 -0.091 4.989 121 HD3 LYS 18 2HD LYS 18 2.248 -0.518 6.298 122 HE2 LYS 18 1HE LYS 18 -0.257 0.929 6.985 123 HE3 LYS 18 2HE LYS 18 -0.376 -0.773 6.542 124 HZ1 LYS 18 1HZ LYS 18 1.661 -0.813 8.275 125 HZ2 LYS 18 2HZ LYS 18 0.049 -1.090 8.706 126 HZ3 LYS 18 3HZ LYS 18 0.730 0.443 8.923 127 H GLU 19 H GLU 19 3.967 -0.670 8.184 128 HA GLU 19 HA GLU 19 4.786 -2.315 5.882 129 HB2 GLU 19 1HB GLU 19 5.347 -4.067 7.487 130 HB3 GLU 19 2HB GLU 19 6.212 -2.582 7.860 131 HG2 GLU 19 1HG GLU 19 4.131 -2.195 9.442 132 HG3 GLU 19 2HG GLU 19 4.054 -3.954 9.360 133 H ALA 20 H ALA 20 3.095 -3.093 4.816 134 HA ALA 20 HA ALA 20 0.770 -4.031 6.370 135 HB1 ALA 20 1HB ALA 20 -0.511 -3.583 4.198 136 HB2 ALA 20 2HB ALA 20 -0.033 -2.192 5.172 137 HB3 ALA 20 3HB ALA 20 0.886 -2.615 3.728 138 H SER 21 H SER 21 -0.534 -5.703 5.138 139 HA SER 21 HA SER 21 1.299 -7.773 4.244 140 HB2 SER 21 1HB SER 21 -0.610 -9.284 4.462 141 HB3 SER 21 2HB SER 21 -0.447 -8.302 5.918 142 HG SER 21 HG SER 21 -2.130 -6.999 5.175 143 H GLU 22 H GLU 22 0.570 -9.191 2.397 144 HA GLU 22 HA GLU 22 0.557 -7.775 0.016 145 HB2 GLU 22 1HB GLU 22 0.000 -10.595 0.778 146 HB3 GLU 22 2HB GLU 22 -0.496 -10.084 -0.830 147 HG2 GLU 22 1HG GLU 22 1.965 -9.135 -0.903 148 HG3 GLU 22 2HG GLU 22 2.224 -10.384 0.314 149 H GLY 23 H GLY 23 -1.012 -7.243 -1.500 150 HA2 GLY 23 1HA GLY 23 -3.141 -6.865 -2.340 151 HA3 GLY 23 2HA GLY 23 -3.798 -7.809 -1.011 152 H ALA 24 H ALA 24 -2.635 -6.332 1.116 153 HA ALA 24 HA ALA 24 -4.576 -4.388 1.554 154 HB1 ALA 24 1HB ALA 24 -3.648 -4.165 3.593 155 HB2 ALA 24 2HB ALA 24 -2.718 -5.582 3.104 156 HB3 ALA 24 3HB ALA 24 -2.018 -3.970 2.948 157 H THR 25 H THR 25 -3.592 -2.063 2.358 158 HA THR 25 HA THR 25 -2.312 -0.922 -0.041 159 HB THR 25 HB THR 25 -4.278 0.476 1.781 160 HG1 THR 25 1HG THR 25 -4.591 -0.943 -0.639 161 HG21 THR 25 1HG2 THR 25 -2.464 1.754 0.403 162 HG22 THR 25 2HG2 THR 25 -4.136 2.316 0.383 163 HG23 THR 25 3HG2 THR 25 -3.507 1.371 -0.967 164 H ALA 26 H ALA 26 -0.508 0.241 0.236 165 HA ALA 26 HA ALA 26 0.512 0.568 2.948 166 HB1 ALA 26 1HB ALA 26 2.070 1.350 0.530 167 HB2 ALA 26 2HB ALA 26 2.624 0.646 2.050 168 HB3 ALA 26 3HB ALA 26 1.796 -0.360 0.862 169 H THR 27 H THR 27 0.363 2.423 4.009 170 HA THR 27 HA THR 27 -0.173 4.881 2.483 171 HB THR 27 HB THR 27 -0.670 4.487 5.433 172 HG1 THR 27 1HG THR 27 -2.761 4.412 3.562 173 HG21 THR 27 1HG2 THR 27 -2.260 6.365 5.062 174 HG22 THR 27 2HG2 THR 27 -1.670 6.488 3.404 175 HG23 THR 27 3HG2 THR 27 -0.579 6.800 4.754 176 H LEU 28 H LEU 28 1.481 6.228 2.282 177 HA LEU 28 HA LEU 28 3.506 6.303 4.422 178 HB2 LEU 28 1HB LEU 28 3.870 6.919 1.493 179 HB3 LEU 28 2HB LEU 28 5.124 6.981 2.730 180 HG LEU 28 HG LEU 28 4.394 4.426 3.009 181 HD11 LEU 28 1HD1 LEU 28 3.030 5.236 0.664 182 HD12 LEU 28 2HD1 LEU 28 3.144 3.623 1.368 183 HD13 LEU 28 3HD1 LEU 28 4.336 4.153 0.182 184 HD21 LEU 28 1HD2 LEU 28 6.338 3.847 1.788 185 HD22 LEU 28 2HD2 LEU 28 6.645 5.438 2.486 186 HD23 LEU 28 3HD2 LEU 28 6.222 5.290 0.780 187 H GLN 29 H GLN 29 4.225 8.282 5.154 188 HA GLN 29 HA GLN 29 2.830 10.652 4.102 189 HB2 GLN 29 1HB GLN 29 3.290 9.860 6.975 190 HB3 GLN 29 2HB GLN 29 2.872 11.500 6.498 191 HG2 GLN 29 1HG GLN 29 0.993 9.964 7.274 192 HG3 GLN 29 2HG GLN 29 0.745 10.887 5.793 193 HE21 GLN 29 1HE2 GLN 29 2.161 7.777 6.765 194 HE22 GLN 29 2HE2 GLN 29 1.425 6.855 5.503 195 H CYS 30 H CYS 30 4.021 12.483 3.858 196 HA CYS 30 HA CYS 30 6.742 12.553 4.928 197 HB2 CYS 30 1HB CYS 30 7.758 13.027 2.827 198 HB3 CYS 30 2HB CYS 30 6.764 11.595 2.587 199 HG CYS 30 HG CYS 30 5.313 12.534 0.685 200 H GLU 31 H GLU 31 7.683 14.672 4.965 201 HA GLU 31 HA GLU 31 5.650 16.801 4.905 202 HB2 GLU 31 1HB GLU 31 6.952 16.051 7.083 203 HB3 GLU 31 2HB GLU 31 8.201 17.098 6.426 204 HG2 GLU 31 1HG GLU 31 6.688 18.975 6.427 205 HG3 GLU 31 2HG GLU 31 5.364 17.943 6.964 206 H LEU 32 H LEU 32 6.570 19.021 4.517 207 HA LEU 32 HA LEU 32 8.932 19.067 2.811 208 HB2 LEU 32 1HB LEU 32 6.210 19.986 1.901 209 HB3 LEU 32 2HB LEU 32 7.719 20.315 1.051 210 HG LEU 32 HG LEU 32 6.794 17.507 1.580 211 HD11 LEU 32 1HD1 LEU 32 5.194 17.623 0.050 212 HD12 LEU 32 2HD1 LEU 32 6.293 18.368 -1.110 213 HD13 LEU 32 3HD1 LEU 32 5.398 19.375 0.027 214 HD21 LEU 32 1HD2 LEU 32 8.111 17.469 -0.755 215 HD22 LEU 32 2HD2 LEU 32 8.906 17.271 0.807 216 HD23 LEU 32 3HD2 LEU 32 8.908 18.844 0.009 217 H SER 33 H SER 33 9.662 21.259 2.328 218 HA SER 33 HA SER 33 9.563 22.923 4.612 219 HB2 SER 33 1HB SER 33 11.537 22.885 3.197 220 HB3 SER 33 2HB SER 33 10.602 23.474 1.822 221 HG SER 33 HG SER 33 10.547 25.009 4.142 222 H LYS 34 H LYS 34 7.788 22.872 1.613 223 HA LYS 34 HA LYS 34 5.789 24.620 2.634 224 HB2 LYS 34 1HB LYS 34 6.036 26.467 1.086 225 HB3 LYS 34 2HB LYS 34 7.512 26.289 2.026 226 HG2 LYS 34 1HG LYS 34 8.661 25.307 0.194 227 HG3 LYS 34 2HG LYS 34 7.169 25.154 -0.737 228 HD2 LYS 34 1HD LYS 34 7.115 27.382 -1.272 229 HD3 LYS 34 2HD LYS 34 7.986 27.864 0.185 230 HE2 LYS 34 1HE LYS 34 9.207 26.422 -2.166 231 HE3 LYS 34 2HE LYS 34 9.310 28.159 -1.884 232 HZ1 LYS 34 1HZ LYS 34 10.251 27.373 0.405 233 HZ2 LYS 34 2HZ LYS 34 11.254 27.453 -0.954 234 HZ3 LYS 34 3HZ LYS 34 10.626 25.964 -0.453 235 H VAL 35 H VAL 35 4.004 24.921 1.115 236 HA VAL 35 HA VAL 35 3.224 22.615 -0.170 237 HB VAL 35 HB VAL 35 2.347 25.419 -0.876 238 HG11 VAL 35 1HG1 VAL 35 1.186 24.391 -2.480 239 HG12 VAL 35 2HG1 VAL 35 1.560 22.791 -1.836 240 HG13 VAL 35 3HG1 VAL 35 0.203 23.711 -1.184 241 HG21 VAL 35 1HG2 VAL 35 1.071 25.475 0.968 242 HG22 VAL 35 2HG2 VAL 35 0.633 23.772 0.836 243 HG23 VAL 35 3HG2 VAL 35 2.167 24.232 1.573 244 H ALA 36 H ALA 36 4.187 21.611 -1.805 245 HA ALA 36 HA ALA 36 4.639 23.013 -4.292 246 HB1 ALA 36 1HB ALA 36 6.979 21.603 -3.028 247 HB2 ALA 36 2HB ALA 36 6.961 22.558 -4.511 248 HB3 ALA 36 3HB ALA 36 6.736 23.348 -2.950 249 HA PRO 37 HA PRO 37 3.496 19.110 -5.957 250 HB2 PRO 37 1HB PRO 37 4.659 19.260 -8.405 251 HB3 PRO 37 2HB PRO 37 3.225 20.195 -7.964 252 HG2 PRO 37 1HG PRO 37 6.094 21.048 -8.039 253 HG3 PRO 37 2HG PRO 37 4.653 21.917 -8.599 254 HD2 PRO 37 1HD PRO 37 5.850 22.454 -6.230 255 HD3 PRO 37 2HD PRO 37 4.100 22.623 -6.476 256 H VAL 38 H VAL 38 4.250 17.095 -5.743 257 HA VAL 38 HA VAL 38 7.162 16.665 -5.929 258 HB VAL 38 HB VAL 38 7.031 14.999 -4.195 259 HG11 VAL 38 1HG1 VAL 38 7.414 17.178 -3.347 260 HG12 VAL 38 2HG1 VAL 38 5.707 17.607 -3.484 261 HG13 VAL 38 3HG1 VAL 38 6.227 16.429 -2.279 262 HG21 VAL 38 1HG2 VAL 38 4.964 13.952 -4.469 263 HG22 VAL 38 2HG2 VAL 38 4.801 14.800 -2.931 264 HG23 VAL 38 3HG2 VAL 38 4.076 15.474 -4.391 265 H GLU 39 H GLU 39 7.580 14.163 -6.096 266 HA GLU 39 HA GLU 39 5.617 12.819 -7.772 267 HB2 GLU 39 1HB GLU 39 6.906 14.086 -9.397 268 HB3 GLU 39 2HB GLU 39 8.410 13.470 -8.726 269 HG2 GLU 39 1HG GLU 39 7.910 11.253 -9.475 270 HG3 GLU 39 2HG GLU 39 6.296 11.742 -9.987 271 H TRP 40 H TRP 40 5.456 10.816 -7.040 272 HA TRP 40 HA TRP 40 7.539 9.678 -5.391 273 HB2 TRP 40 1HB TRP 40 4.907 8.470 -6.270 274 HB3 TRP 40 2HB TRP 40 5.959 7.862 -4.994 275 HD1 TRP 40 HD TRP 40 3.765 10.956 -5.766 276 HE1 TRP 40 1HE TRP 40 2.949 11.931 -3.529 277 HE3 TRP 40 3HE TRP 40 6.327 7.901 -2.567 278 HZ2 TRP 40 2HZ TRP 40 3.340 11.467 -0.772 279 HZ3 TRP 40 3HZ TRP 40 6.051 8.233 -0.144 280 HH2 TRP 40 HH TRP 40 4.588 9.980 0.733 281 H LYS 41 H LYS 41 8.809 7.926 -5.856 282 HA LYS 41 HA LYS 41 8.570 6.738 -8.532 283 HB2 LYS 41 1HB LYS 41 10.902 8.167 -7.354 284 HB3 LYS 41 2HB LYS 41 11.229 6.739 -8.327 285 HG2 LYS 41 1HG LYS 41 9.574 7.973 -9.997 286 HG3 LYS 41 2HG LYS 41 10.175 9.387 -9.129 287 HD2 LYS 41 1HD LYS 41 12.481 8.693 -9.629 288 HD3 LYS 41 2HD LYS 41 11.858 7.308 -10.528 289 HE2 LYS 41 1HE LYS 41 11.141 8.594 -12.277 290 HE3 LYS 41 2HE LYS 41 10.869 10.011 -11.265 291 HZ1 LYS 41 1HZ LYS 41 12.923 10.752 -11.642 292 HZ2 LYS 41 2HZ LYS 41 12.977 9.650 -12.923 293 HZ3 LYS 41 3HZ LYS 41 13.631 9.232 -11.420 294 H LYS 42 H LYS 42 9.174 4.596 -8.698 295 HA LYS 42 HA LYS 42 9.750 3.249 -6.142 296 HB2 LYS 42 1HB LYS 42 7.531 2.760 -7.220 297 HB3 LYS 42 2HB LYS 42 8.408 2.050 -8.569 298 HG2 LYS 42 1HG LYS 42 9.230 0.289 -7.243 299 HG3 LYS 42 2HG LYS 42 8.769 1.099 -5.744 300 HD2 LYS 42 1HD LYS 42 6.539 0.575 -5.991 301 HD3 LYS 42 2HD LYS 42 6.659 0.428 -7.746 302 HE2 LYS 42 1HE LYS 42 8.229 -1.590 -7.145 303 HE3 LYS 42 2HE LYS 42 7.352 -1.542 -5.617 304 HZ1 LYS 42 1HZ LYS 42 6.415 -3.041 -7.382 305 HZ2 LYS 42 2HZ LYS 42 5.980 -1.649 -8.239 306 HZ3 LYS 42 3HZ LYS 42 5.322 -1.940 -6.708 307 H GLY 43 H GLY 43 11.617 4.381 -8.216 308 HA2 GLY 43 1HA GLY 43 13.822 3.001 -8.092 309 HA3 GLY 43 2HA GLY 43 12.925 1.924 -9.151 310 HA PRO 44 HA PRO 44 15.197 4.602 -12.037 311 HB2 PRO 44 1HB PRO 44 15.236 2.764 -14.034 312 HB3 PRO 44 2HB PRO 44 16.400 2.761 -12.704 313 HG2 PRO 44 1HG PRO 44 13.927 1.112 -13.061 314 HG3 PRO 44 2HG PRO 44 15.529 0.616 -12.486 315 HD2 PRO 44 1HD PRO 44 13.463 1.099 -10.804 316 HD3 PRO 44 2HD PRO 44 15.152 1.416 -10.357 317 H GLU 45 H GLU 45 12.067 3.646 -11.776 318 HA GLU 45 HA GLU 45 11.319 4.846 -14.362 319 HB2 GLU 45 1HB GLU 45 10.187 2.574 -12.815 320 HB3 GLU 45 2HB GLU 45 9.050 3.611 -13.665 321 HG2 GLU 45 1HG GLU 45 9.764 2.954 -15.721 322 HG3 GLU 45 2HG GLU 45 11.406 2.627 -15.170 323 H THR 46 H THR 46 9.117 5.917 -14.289 324 HA THR 46 HA THR 46 8.891 7.475 -11.797 325 HB THR 46 HB THR 46 7.840 8.468 -14.425 326 HG1 THR 46 1HG THR 46 10.273 7.813 -14.283 327 HG21 THR 46 1HG2 THR 46 7.401 10.292 -13.225 328 HG22 THR 46 2HG2 THR 46 9.095 10.418 -12.748 329 HG23 THR 46 3HG2 THR 46 7.975 9.455 -11.783 330 H LEU 47 H LEU 47 6.915 7.749 -10.853 331 HA LEU 47 HA LEU 47 4.700 6.197 -12.014 332 HB2 LEU 47 1HB LEU 47 5.137 6.977 -9.136 333 HB3 LEU 47 2HB LEU 47 3.846 5.950 -9.759 334 HG LEU 47 HG LEU 47 6.664 5.097 -10.200 335 HD11 LEU 47 1HD1 LEU 47 5.813 5.793 -7.650 336 HD12 LEU 47 2HD1 LEU 47 7.179 4.759 -8.067 337 HD13 LEU 47 3HD1 LEU 47 5.602 4.044 -7.730 338 HD21 LEU 47 1HD2 LEU 47 5.478 3.399 -11.025 339 HD22 LEU 47 2HD2 LEU 47 3.986 3.972 -10.279 340 HD23 LEU 47 3HD2 LEU 47 5.113 2.981 -9.351 341 H ARG 48 H ARG 48 2.491 7.016 -11.243 342 HA ARG 48 HA ARG 48 2.380 9.926 -11.012 343 HB2 ARG 48 1HB ARG 48 0.941 8.375 -13.172 344 HB3 ARG 48 2HB ARG 48 0.726 10.087 -12.831 345 HG2 ARG 48 1HG ARG 48 2.197 10.237 -14.550 346 HG3 ARG 48 2HG ARG 48 3.342 10.120 -13.213 347 HD2 ARG 48 1HD ARG 48 3.628 7.760 -13.604 348 HD3 ARG 48 2HD ARG 48 2.365 7.773 -14.834 349 HE ARG 48 HE ARG 48 4.611 9.524 -15.346 350 HH11 ARG 48 2HH1 ARG 48 3.195 6.380 -15.825 351 HH12 ARG 48 1HH1 ARG 48 4.131 6.030 -17.240 352 HH21 ARG 48 2HH2 ARG 48 5.849 9.075 -17.208 353 HH22 ARG 48 1HH2 ARG 48 5.641 7.564 -18.026 354 H ASP 49 H ASP 49 -0.016 10.617 -10.800 355 HA ASP 49 HA ASP 49 -1.213 8.858 -8.797 356 HB2 ASP 49 1HB ASP 49 -2.208 10.729 -7.871 357 HB3 ASP 49 2HB ASP 49 -0.742 11.431 -8.550 358 H GLY 50 H GLY 50 -2.931 7.643 -9.228 359 HA2 GLY 50 1HA GLY 50 -5.293 7.997 -10.241 360 HA3 GLY 50 2HA GLY 50 -4.382 8.130 -11.738 361 H GLY 51 H GLY 51 -6.123 6.059 -9.854 362 HA2 GLY 51 1HA GLY 51 -6.606 3.837 -10.518 363 HA3 GLY 51 2HA GLY 51 -5.033 3.755 -11.298 364 H ARG 52 H ARG 52 -3.971 2.129 -10.364 365 HA ARG 52 HA ARG 52 -4.352 1.129 -7.805 366 HB2 ARG 52 1HB ARG 52 -2.958 0.259 -9.884 367 HB3 ARG 52 2HB ARG 52 -1.625 1.002 -9.009 368 HG2 ARG 52 1HG ARG 52 -1.929 -0.424 -7.147 369 HG3 ARG 52 2HG ARG 52 -3.482 -0.999 -7.756 370 HD2 ARG 52 1HD ARG 52 -2.517 -2.375 -9.313 371 HD3 ARG 52 2HD ARG 52 -1.068 -1.380 -9.452 372 HE ARG 52 HE ARG 52 -1.254 -2.583 -6.884 373 HH11 ARG 52 2HH1 ARG 52 -0.433 -3.236 -10.203 374 HH12 ARG 52 1HH1 ARG 52 0.655 -4.527 -9.817 375 HH21 ARG 52 2HH2 ARG 52 0.175 -4.282 -6.362 376 HH22 ARG 52 1HH2 ARG 52 0.999 -5.122 -7.631 377 H TYR 53 H TYR 53 -2.072 3.584 -8.940 378 HA TYR 53 HA TYR 53 -1.077 3.983 -6.228 379 HB2 TYR 53 1HB TYR 53 -0.260 5.126 -8.900 380 HB3 TYR 53 2HB TYR 53 0.431 5.670 -7.375 381 HD1 TYR 53 1HD TYR 53 1.687 4.011 -5.952 382 HD2 TYR 53 2HD TYR 53 0.507 3.157 -9.950 383 HE1 TYR 53 1HE TYR 53 3.331 2.184 -6.040 384 HE2 TYR 53 2HE TYR 53 2.147 1.326 -10.048 385 HH TYR 53 HH TYR 53 3.399 -0.104 -8.620 386 H SER 54 H SER 54 -2.393 5.150 -4.976 387 HA SER 54 HA SER 54 -3.572 7.603 -6.106 388 HB2 SER 54 1HB SER 54 -4.623 5.563 -4.215 389 HB3 SER 54 2HB SER 54 -5.066 7.242 -3.908 390 HG SER 54 HG SER 54 -5.900 5.544 -5.884 391 H LEU 55 H LEU 55 -2.711 9.430 -5.401 392 HA LEU 55 HA LEU 55 -1.626 9.526 -2.668 393 HB2 LEU 55 1HB LEU 55 -0.022 11.287 -3.835 394 HB3 LEU 55 2HB LEU 55 0.372 9.573 -3.726 395 HG LEU 55 HG LEU 55 -1.037 10.604 -6.150 396 HD11 LEU 55 1HD1 LEU 55 1.387 10.793 -7.079 397 HD12 LEU 55 2HD1 LEU 55 1.811 11.085 -5.393 398 HD13 LEU 55 3HD1 LEU 55 0.669 12.150 -6.213 399 HD21 LEU 55 1HD2 LEU 55 0.522 8.810 -7.130 400 HD22 LEU 55 2HD2 LEU 55 -0.850 8.281 -6.156 401 HD23 LEU 55 3HD2 LEU 55 0.769 8.314 -5.456 402 H LYS 56 H LYS 56 -1.861 11.469 -1.568 403 HA LYS 56 HA LYS 56 -3.509 13.513 -2.904 404 HB2 LYS 56 1HB LYS 56 -4.647 11.944 -1.156 405 HB3 LYS 56 2HB LYS 56 -3.791 12.927 0.025 406 HG2 LYS 56 1HG LYS 56 -4.876 14.938 -0.935 407 HG3 LYS 56 2HG LYS 56 -5.809 13.880 -1.996 408 HD2 LYS 56 1HD LYS 56 -6.597 12.709 0.118 409 HD3 LYS 56 2HD LYS 56 -5.906 14.070 1.005 410 HE2 LYS 56 1HE LYS 56 -7.320 15.559 -0.495 411 HE3 LYS 56 2HE LYS 56 -8.157 14.089 -0.989 412 HZ1 LYS 56 1HZ LYS 56 -7.908 14.420 1.867 413 HZ2 LYS 56 2HZ LYS 56 -9.251 13.971 0.943 414 HZ3 LYS 56 3HZ LYS 56 -8.851 15.606 1.114 415 H GLN 57 H GLN 57 -3.243 15.669 -2.165 416 HA GLN 57 HA GLN 57 -0.698 16.118 -0.750 417 HB2 GLN 57 1HB GLN 57 -0.655 16.803 -3.120 418 HB3 GLN 57 2HB GLN 57 -2.019 17.874 -2.827 419 HG2 GLN 57 1HG GLN 57 -0.759 19.415 -1.729 420 HG3 GLN 57 2HG GLN 57 0.395 18.218 -1.142 421 HE21 GLN 57 1HE2 GLN 57 2.262 19.100 -1.817 422 HE22 GLN 57 2HE2 GLN 57 2.660 19.407 -3.470 423 H ASP 58 H ASP 58 -0.755 17.236 1.090 424 HA ASP 58 HA ASP 58 -3.106 18.912 1.651 425 HB2 ASP 58 1HB ASP 58 -2.945 16.549 2.816 426 HB3 ASP 58 2HB ASP 58 -1.816 17.389 3.876 427 H GLY 59 H GLY 59 -2.146 20.874 1.424 428 HA2 GLY 59 1HA GLY 59 -0.706 22.629 1.811 429 HA3 GLY 59 2HA GLY 59 -0.762 22.059 3.472 430 H THR 60 H THR 60 1.038 21.236 4.362 431 HA THR 60 HA THR 60 3.376 20.930 2.600 432 HB THR 60 HB THR 60 4.772 21.373 4.547 433 HG1 THR 60 1HG THR 60 2.857 20.545 5.969 434 HG21 THR 60 1HG2 THR 60 3.423 23.695 5.133 435 HG22 THR 60 2HG2 THR 60 2.776 23.261 3.551 436 HG23 THR 60 3HG2 THR 60 4.514 23.462 3.768 437 H ARG 61 H ARG 61 1.397 18.849 3.051 438 HA ARG 61 HA ARG 61 3.220 16.772 3.972 439 HB2 ARG 61 1HB ARG 61 0.646 17.489 5.291 440 HB3 ARG 61 2HB ARG 61 1.049 15.783 5.149 441 HG2 ARG 61 1HG ARG 61 2.883 15.963 6.538 442 HG3 ARG 61 2HG ARG 61 3.051 17.698 6.261 443 HD2 ARG 61 1HD ARG 61 0.904 18.026 7.488 444 HD3 ARG 61 2HD ARG 61 0.921 16.306 7.877 445 HE ARG 61 HE ARG 61 2.432 18.361 9.146 446 HH11 ARG 61 2HH1 ARG 61 2.495 15.001 8.237 447 HH12 ARG 61 1HH1 ARG 61 3.598 14.547 9.494 448 HH21 ARG 61 2HH2 ARG 61 3.884 17.776 10.805 449 HH22 ARG 61 1HH2 ARG 61 4.386 16.126 10.955 450 H CYS 62 H CYS 62 3.276 15.279 2.439 451 HA CYS 62 HA CYS 62 0.866 14.850 0.801 452 HB2 CYS 62 1HB CYS 62 3.793 14.575 0.114 453 HB3 CYS 62 2HB CYS 62 2.508 13.940 -0.907 454 HG CYS 62 HG CYS 62 3.047 17.232 -0.145 455 H GLU 63 H GLU 63 0.082 12.813 0.519 456 HA GLU 63 HA GLU 63 1.475 10.651 1.959 457 HB2 GLU 63 1HB GLU 63 -0.438 11.088 3.251 458 HB3 GLU 63 2HB GLU 63 -1.446 11.347 1.834 459 HG2 GLU 63 1HG GLU 63 -0.245 8.662 2.219 460 HG3 GLU 63 2HG GLU 63 -1.583 9.136 3.264 461 H LEU 64 H LEU 64 1.416 8.580 1.061 462 HA LEU 64 HA LEU 64 0.421 8.421 -1.706 463 HB2 LEU 64 1HB LEU 64 2.775 8.636 -1.882 464 HB3 LEU 64 2HB LEU 64 3.045 7.480 -0.578 465 HG LEU 64 HG LEU 64 2.008 5.743 -2.143 466 HD11 LEU 64 1HD1 LEU 64 2.812 6.842 -4.571 467 HD12 LEU 64 2HD1 LEU 64 1.853 8.101 -3.793 468 HD13 LEU 64 3HD1 LEU 64 1.162 6.499 -4.050 469 HD21 LEU 64 1HD2 LEU 64 4.568 6.473 -1.661 470 HD22 LEU 64 2HD2 LEU 64 4.501 6.646 -3.415 471 HD23 LEU 64 3HD2 LEU 64 4.100 5.101 -2.665 472 H GLN 65 H GLN 65 -1.089 6.917 -1.893 473 HA GLN 65 HA GLN 65 -1.031 4.621 -0.052 474 HB2 GLN 65 1HB GLN 65 -3.237 6.216 -1.252 475 HB3 GLN 65 2HB GLN 65 -3.523 4.499 -1.003 476 HG2 GLN 65 1HG GLN 65 -3.029 4.732 1.358 477 HG3 GLN 65 2HG GLN 65 -2.659 6.440 1.129 478 HE21 GLN 65 1HE2 GLN 65 -4.545 5.577 2.949 479 HE22 GLN 65 2HE2 GLN 65 -6.113 6.079 2.425 480 H ILE 66 H ILE 66 -0.338 2.797 -0.930 481 HA ILE 66 HA ILE 66 -0.615 2.406 -3.825 482 HB ILE 66 HB ILE 66 1.048 0.767 -1.916 483 HG12 ILE 66 1HG1 ILE 66 2.258 2.782 -3.755 484 HG13 ILE 66 2HG1 ILE 66 1.539 3.354 -2.254 485 HG21 ILE 66 1HG2 ILE 66 2.281 0.363 -4.154 486 HG22 ILE 66 2HG2 ILE 66 0.774 -0.496 -3.839 487 HG23 ILE 66 3HG2 ILE 66 0.779 0.920 -4.891 488 HD11 ILE 66 1HD1 ILE 66 3.987 1.776 -2.707 489 HD12 ILE 66 2HD1 ILE 66 3.631 3.008 -1.496 490 HD13 ILE 66 3HD1 ILE 66 3.030 1.364 -1.284 491 H HIS 67 H HIS 67 -2.502 1.453 -4.292 492 HA HIS 67 HA HIS 67 -3.714 -0.482 -2.533 493 HB2 HIS 67 1HB HIS 67 -4.510 0.384 -5.321 494 HB3 HIS 67 2HB HIS 67 -5.492 -0.584 -4.226 495 HD1 HIS 67 1HD HIS 67 -5.508 0.898 -1.678 496 HD2 HIS 67 2HD HIS 67 -5.554 2.866 -5.337 497 HE1 HIS 67 1HE HIS 67 -6.461 3.176 -1.204 498 HE2 HIS 67 2HE HIS 67 -6.559 4.318 -3.447 499 H ASP 68 H ASP 68 -4.182 -2.662 -3.072 500 HA ASP 68 HA ASP 68 -3.687 -4.752 -3.822 501 HB2 ASP 68 1HB ASP 68 -3.166 -3.072 -6.239 502 HB3 ASP 68 2HB ASP 68 -2.668 -4.761 -6.259 503 H LEU 69 H LEU 69 -1.893 -3.848 -2.079 504 HA LEU 69 HA LEU 69 0.767 -3.619 -2.850 505 HB2 LEU 69 1HB LEU 69 -0.647 -4.426 -0.373 506 HB3 LEU 69 2HB LEU 69 1.068 -4.816 -0.486 507 HG LEU 69 HG LEU 69 -0.123 -2.052 -0.708 508 HD11 LEU 69 1HD1 LEU 69 0.355 -1.696 1.480 509 HD12 LEU 69 2HD1 LEU 69 1.695 -2.842 1.492 510 HD13 LEU 69 3HD1 LEU 69 0.033 -3.428 1.565 511 HD21 LEU 69 1HD2 LEU 69 2.474 -3.147 -1.389 512 HD22 LEU 69 2HD2 LEU 69 2.587 -1.867 -0.181 513 HD23 LEU 69 3HD2 LEU 69 1.794 -1.555 -1.726 514 H SER 70 H SER 70 2.521 -5.215 -2.491 515 HA SER 70 HA SER 70 1.927 -8.008 -2.574 516 HB2 SER 70 1HB SER 70 2.950 -8.352 -4.868 517 HB3 SER 70 2HB SER 70 1.342 -7.630 -4.860 518 HG SER 70 HG SER 70 2.221 -6.087 -5.969 519 H VAL 71 H VAL 71 3.706 -9.245 -2.125 520 HA VAL 71 HA VAL 71 5.839 -8.242 -0.772 521 HB VAL 71 HB VAL 71 7.089 -10.347 -1.442 522 HG11 VAL 71 1HG1 VAL 71 5.917 -11.594 0.086 523 HG12 VAL 71 2HG1 VAL 71 5.291 -9.982 0.441 524 HG13 VAL 71 3HG1 VAL 71 4.348 -11.098 -0.548 525 HG21 VAL 71 1HG2 VAL 71 4.538 -10.803 -2.984 526 HG22 VAL 71 2HG2 VAL 71 6.174 -10.702 -3.636 527 HG23 VAL 71 3HG2 VAL 71 5.716 -12.062 -2.610 528 H ALA 72 H ALA 72 5.486 -8.503 -4.242 529 HA ALA 72 HA ALA 72 8.189 -8.061 -4.945 530 HB1 ALA 72 1HB ALA 72 7.137 -7.284 -7.148 531 HB2 ALA 72 2HB ALA 72 6.850 -8.948 -6.640 532 HB3 ALA 72 3HB ALA 72 5.596 -7.728 -6.415 533 H ASP 73 H ASP 73 5.470 -5.883 -4.368 534 HA ASP 73 HA ASP 73 6.684 -3.507 -5.244 535 HB2 ASP 73 1HB ASP 73 4.433 -4.143 -3.373 536 HB3 ASP 73 2HB ASP 73 5.029 -2.489 -3.479 537 H ALA 74 H ALA 74 6.802 -5.205 -2.169 538 HA ALA 74 HA ALA 74 7.846 -3.326 -0.475 539 HB1 ALA 74 1HB ALA 74 7.770 -6.191 -0.594 540 HB2 ALA 74 2HB ALA 74 9.321 -5.652 0.051 541 HB3 ALA 74 3HB ALA 74 7.820 -5.131 0.815 542 H GLY 75 H GLY 75 9.342 -1.865 -1.073 543 HA2 GLY 75 1HA GLY 75 12.039 -2.790 -1.545 544 HA3 GLY 75 2HA GLY 75 11.315 -1.972 -2.922 545 H GLU 76 H GLU 76 11.967 0.059 -3.065 546 HA GLU 76 HA GLU 76 12.078 1.674 -0.614 547 HB2 GLU 76 1HB GLU 76 14.373 0.974 -1.236 548 HB3 GLU 76 2HB GLU 76 14.157 1.733 -2.807 549 HG2 GLU 76 1HG GLU 76 13.614 3.850 -1.367 550 HG3 GLU 76 2HG GLU 76 14.524 2.981 -0.132 551 H TYR 77 H TYR 77 10.554 3.165 -0.860 552 HA TYR 77 HA TYR 77 9.987 4.230 -3.526 553 HB2 TYR 77 1HB TYR 77 8.480 4.331 -0.916 554 HB3 TYR 77 2HB TYR 77 8.010 5.290 -2.314 555 HD1 TYR 77 1HD TYR 77 8.516 1.809 -1.135 556 HD2 TYR 77 2HD TYR 77 6.737 4.341 -4.054 557 HE1 TYR 77 1HE TYR 77 7.240 -0.104 -2.007 558 HE2 TYR 77 2HE TYR 77 5.455 2.436 -4.934 559 HH TYR 77 HH TYR 77 4.687 -0.037 -3.604 560 H SER 78 H SER 78 10.975 6.029 -4.124 561 HA SER 78 HA SER 78 11.859 7.925 -2.061 562 HB2 SER 78 1HB SER 78 12.737 7.911 -4.948 563 HB3 SER 78 2HB SER 78 13.530 8.676 -3.571 564 HG SER 78 HG SER 78 13.647 6.367 -2.776 565 H CYS 79 H CYS 79 11.626 10.208 -2.460 566 HA CYS 79 HA CYS 79 9.495 10.906 -4.358 567 HB2 CYS 79 1HB CYS 79 8.831 10.638 -1.820 568 HB3 CYS 79 2HB CYS 79 9.563 12.231 -1.677 569 HG CYS 79 HG CYS 79 7.564 12.335 -4.241 570 H MET 80 H MET 80 10.200 12.417 -5.698 571 HA MET 80 HA MET 80 12.427 14.129 -4.886 572 HB2 MET 80 1HB MET 80 11.175 13.746 -7.612 573 HB3 MET 80 2HB MET 80 12.633 14.667 -7.266 574 HG2 MET 80 1HG MET 80 13.645 12.541 -6.396 575 HG3 MET 80 2HG MET 80 12.238 11.699 -7.042 576 HE1 MET 80 1HE MET 80 14.455 10.514 -9.842 577 HE2 MET 80 2HE MET 80 14.986 10.607 -8.162 578 HE3 MET 80 3HE MET 80 13.325 10.146 -8.539 579 H CYS 81 H CYS 81 12.170 16.209 -4.393 580 HA CYS 81 HA CYS 81 9.738 17.589 -5.296 581 HB2 CYS 81 1HB CYS 81 9.377 16.928 -2.974 582 HB3 CYS 81 2HB CYS 81 10.901 17.672 -2.505 583 HG CYS 81 HG CYS 81 8.162 19.029 -2.092 584 H GLY 82 H GLY 82 10.755 18.823 -6.827 585 HA2 GLY 82 1HA GLY 82 11.824 20.726 -7.570 586 HA3 GLY 82 2HA GLY 82 12.181 21.119 -5.895 587 H GLN 83 H GLN 83 14.062 20.200 -4.914 588 HA GLN 83 HA GLN 83 16.056 19.243 -6.859 589 HB2 GLN 83 1HB GLN 83 16.282 21.363 -4.753 590 HB3 GLN 83 2HB GLN 83 17.706 20.452 -5.234 591 HG2 GLN 83 1HG GLN 83 16.017 21.720 -7.332 592 HG3 GLN 83 2HG GLN 83 17.114 22.720 -6.382 593 HE21 GLN 83 1HE2 GLN 83 18.756 23.166 -7.680 594 HE22 GLN 83 2HE2 GLN 83 19.676 22.009 -8.574 595 H GLU 84 H GLU 84 15.095 19.332 -3.450 596 HA GLU 84 HA GLU 84 16.942 17.316 -2.637 597 HB2 GLU 84 1HB GLU 84 14.648 18.745 -1.381 598 HB3 GLU 84 2HB GLU 84 15.184 17.241 -0.646 599 HG2 GLU 84 1HG GLU 84 17.204 19.329 -1.288 600 HG3 GLU 84 2HG GLU 84 16.161 19.545 0.116 601 H ARG 85 H ARG 85 15.889 15.367 -1.346 602 HA ARG 85 HA ARG 85 13.572 14.185 -2.533 603 HB2 ARG 85 1HB ARG 85 15.243 13.831 -4.332 604 HB3 ARG 85 2HB ARG 85 16.252 12.952 -3.192 605 HG2 ARG 85 1HG ARG 85 14.292 11.378 -2.884 606 HG3 ARG 85 2HG ARG 85 13.574 12.164 -4.292 607 HD2 ARG 85 1HD ARG 85 14.752 10.152 -4.961 608 HD3 ARG 85 2HD ARG 85 15.558 11.577 -5.613 609 HE ARG 85 HE ARG 85 16.892 11.121 -3.308 610 HH11 ARG 85 2HH1 ARG 85 16.060 9.108 -6.024 611 HH12 ARG 85 1HH1 ARG 85 17.456 8.095 -5.868 612 HH21 ARG 85 2HH2 ARG 85 18.734 9.793 -3.091 613 HH22 ARG 85 1HH2 ARG 85 18.976 8.485 -4.198 614 H THR 86 H THR 86 13.037 12.121 -1.587 615 HA THR 86 HA THR 86 14.591 11.437 0.813 616 HB THR 86 HB THR 86 12.698 12.822 1.538 617 HG1 THR 86 1HG THR 86 13.301 11.192 2.961 618 HG21 THR 86 1HG2 THR 86 10.856 12.686 0.253 619 HG22 THR 86 2HG2 THR 86 10.444 11.303 1.268 620 HG23 THR 86 3HG2 THR 86 11.238 11.052 -0.287 621 H SER 87 H SER 87 14.046 9.284 1.689 622 HA SER 87 HA SER 87 12.817 7.455 -0.233 623 HB2 SER 87 1HB SER 87 15.469 6.719 0.975 624 HB3 SER 87 2HB SER 87 14.669 6.039 -0.442 625 HG SER 87 HG SER 87 14.999 8.210 -1.384 626 H ALA 88 H ALA 88 11.780 5.754 0.689 627 HA ALA 88 HA ALA 88 12.228 5.177 3.521 628 HB1 ALA 88 1HB ALA 88 9.497 5.060 3.395 629 HB2 ALA 88 2HB ALA 88 10.433 6.386 4.087 630 HB3 ALA 88 3HB ALA 88 9.860 6.486 2.422 631 H THR 89 H THR 89 12.759 3.090 3.456 632 HA THR 89 HA THR 89 11.969 1.272 1.455 633 HB THR 89 HB THR 89 12.906 0.561 4.239 634 HG1 THR 89 1HG THR 89 14.344 2.032 3.172 635 HG21 THR 89 1HG2 THR 89 13.680 -1.484 3.255 636 HG22 THR 89 2HG2 THR 89 13.263 -0.922 1.636 637 HG23 THR 89 3HG2 THR 89 11.989 -1.274 2.804 638 H LEU 90 H LEU 90 10.076 0.319 1.146 639 HA LEU 90 HA LEU 90 8.081 0.334 3.260 640 HB2 LEU 90 1HB LEU 90 7.338 1.037 1.099 641 HB3 LEU 90 2HB LEU 90 7.976 -0.424 0.348 642 HG LEU 90 HG LEU 90 6.258 -1.670 1.809 643 HD11 LEU 90 1HD1 LEU 90 4.735 0.893 1.719 644 HD12 LEU 90 2HD1 LEU 90 5.828 0.577 3.066 645 HD13 LEU 90 3HD1 LEU 90 4.494 -0.527 2.737 646 HD21 LEU 90 1HD2 LEU 90 5.754 -0.037 -0.632 647 HD22 LEU 90 2HD2 LEU 90 4.406 -0.892 0.118 648 HD23 LEU 90 3HD2 LEU 90 5.820 -1.789 -0.439 649 H THR 91 H THR 91 7.190 -1.456 4.207 650 HA THR 91 HA THR 91 8.577 -4.004 3.691 651 HB THR 91 HB THR 91 7.290 -2.993 6.233 652 HG1 THR 91 1HG THR 91 9.265 -2.231 6.414 653 HG21 THR 91 1HG2 THR 91 8.514 -5.196 7.053 654 HG22 THR 91 2HG2 THR 91 8.183 -5.706 5.397 655 HG23 THR 91 3HG2 THR 91 6.856 -5.229 6.456 656 H VAL 92 H VAL 92 7.424 -5.661 2.946 657 HA VAL 92 HA VAL 92 4.489 -5.557 3.214 658 HB VAL 92 HB VAL 92 6.082 -6.606 0.871 659 HG11 VAL 92 1HG1 VAL 92 3.097 -6.385 0.972 660 HG12 VAL 92 2HG1 VAL 92 4.108 -7.342 -0.112 661 HG13 VAL 92 3HG1 VAL 92 3.918 -7.824 1.574 662 HG21 VAL 92 1HG2 VAL 92 5.879 -4.584 -0.024 663 HG22 VAL 92 2HG2 VAL 92 4.130 -4.632 0.198 664 HG23 VAL 92 3HG2 VAL 92 5.164 -4.008 1.482 665 H ARG 93 H ARG 93 3.634 -7.211 4.279 666 HA ARG 93 HA ARG 93 5.287 -9.545 4.849 667 HB2 ARG 93 1HB ARG 93 2.841 -8.333 6.055 668 HB3 ARG 93 2HB ARG 93 3.118 -10.055 6.282 669 HG2 ARG 93 1HG ARG 93 5.117 -9.691 7.455 670 HG3 ARG 93 2HG ARG 93 5.216 -8.011 6.926 671 HD2 ARG 93 1HD ARG 93 3.487 -7.341 8.355 672 HD3 ARG 93 2HD ARG 93 2.924 -8.995 8.592 673 HE ARG 93 HE ARG 93 4.484 -9.256 10.253 674 HH11 ARG 93 2HH1 ARG 93 5.211 -6.384 8.425 675 HH12 ARG 93 1HH1 ARG 93 6.437 -5.839 9.522 676 HH21 ARG 93 2HH2 ARG 93 6.096 -8.549 11.704 677 HH22 ARG 93 1HH2 ARG 93 6.940 -7.071 11.386 678 H ALA 94 H ALA 94 5.141 -11.299 3.632 679 HA ALA 94 HA ALA 94 3.280 -11.679 1.582 680 HB1 ALA 94 1HB ALA 94 4.148 -14.216 2.123 681 HB2 ALA 94 2HB ALA 94 4.988 -13.044 1.108 682 HB3 ALA 94 3HB ALA 94 5.437 -13.224 2.803 683 H LEU 95 H LEU 95 1.464 -12.980 1.375 684 HA LEU 95 HA LEU 95 -0.303 -13.087 3.525 685 HB2 LEU 95 1HB LEU 95 -0.237 -14.526 0.892 686 HB3 LEU 95 2HB LEU 95 -1.545 -14.764 2.048 687 HG LEU 95 HG LEU 95 -0.880 -12.350 0.410 688 HD11 LEU 95 1HD1 LEU 95 -3.458 -12.466 0.264 689 HD12 LEU 95 2HD1 LEU 95 -3.256 -14.104 0.884 690 HD13 LEU 95 3HD1 LEU 95 -2.494 -13.637 -0.636 691 HD21 LEU 95 1HD2 LEU 95 -2.613 -11.159 1.832 692 HD22 LEU 95 2HD2 LEU 95 -1.010 -11.356 2.540 693 HD23 LEU 95 3HD2 LEU 95 -2.332 -12.411 3.041 694 HA PRO 96 HA PRO 96 0.686 -16.704 5.805 695 HB2 PRO 96 1HB PRO 96 -1.779 -17.585 6.524 696 HB3 PRO 96 2HB PRO 96 -1.032 -16.144 7.224 697 HG2 PRO 96 1HG PRO 96 -3.074 -16.350 5.045 698 HG3 PRO 96 2HG PRO 96 -3.006 -15.223 6.412 699 HD2 PRO 96 1HD PRO 96 -2.228 -14.531 3.913 700 HD3 PRO 96 2HD PRO 96 -1.472 -13.854 5.370 701 H ALA 97 H ALA 97 1.491 -18.456 4.828 702 HA ALA 97 HA ALA 97 0.674 -19.701 2.543 703 HB1 ALA 97 1HB ALA 97 1.632 -21.749 4.257 704 HB2 ALA 97 2HB ALA 97 2.495 -20.886 2.983 705 HB3 ALA 97 3HB ALA 97 2.509 -20.264 4.633 706 H ARG 98 H ARG 98 -0.354 -20.491 5.850 707 HA ARG 98 HA ARG 98 -2.700 -21.841 4.709 708 HB2 ARG 98 1HB ARG 98 -1.159 -23.597 5.370 709 HB3 ARG 98 2HB ARG 98 -0.972 -22.874 6.962 710 HG2 ARG 98 1HG ARG 98 -3.160 -23.460 7.599 711 HG3 ARG 98 2HG ARG 98 -3.623 -23.839 5.939 712 HD2 ARG 98 1HD ARG 98 -1.680 -25.591 6.133 713 HD3 ARG 98 2HD ARG 98 -1.974 -25.412 7.862 714 HE ARG 98 HE ARG 98 -4.352 -25.906 6.323 715 HH11 ARG 98 2HH1 ARG 98 -1.665 -27.355 7.997 716 HH12 ARG 98 1HH1 ARG 98 -2.477 -28.861 8.268 717 HH21 ARG 98 2HH2 ARG 98 -5.432 -27.885 6.673 718 HH22 ARG 98 1HH2 ARG 98 -4.619 -29.162 7.514 719 H PHE 99 H PHE 99 -4.580 -21.786 5.997 720 HA PHE 99 HA PHE 99 -4.509 -19.729 8.103 721 HB2 PHE 99 1HB PHE 99 -5.853 -19.333 5.944 722 HB3 PHE 99 2HB PHE 99 -6.973 -20.537 6.571 723 HD1 PHE 99 2HD PHE 99 -8.152 -20.108 8.723 724 HD2 PHE 99 1HD PHE 99 -5.847 -17.121 6.753 725 HE1 PHE 99 2HE PHE 99 -9.280 -18.369 10.048 726 HE2 PHE 99 1HE PHE 99 -6.971 -15.377 8.076 727 HZ PHE 99 HZ PHE 99 -8.691 -16.000 9.725 728 H THR 100 H THR 100 -5.405 -20.131 10.070 729 HA THR 100 HA THR 100 -5.588 -22.764 10.989 730 HB THR 100 HB THR 100 -6.693 -21.762 13.019 731 HG1 THR 100 1HG THR 100 -7.739 -20.000 12.067 732 HG21 THR 100 1HG2 THR 100 -4.547 -19.955 12.998 733 HG22 THR 100 2HG2 THR 100 -4.053 -21.301 11.971 734 HG23 THR 100 3HG2 THR 100 -4.557 -21.599 13.634 735 H GLU 101 H GLU 101 -7.005 -23.995 9.769 736 HA GLU 101 HA GLU 101 -9.759 -23.175 9.451 737 HB2 GLU 101 1HB GLU 101 -10.040 -25.214 8.190 738 HB3 GLU 101 2HB GLU 101 -8.552 -24.428 7.681 739 HG2 GLU 101 1HG GLU 101 -8.490 -26.558 9.773 740 HG3 GLU 101 2HG GLU 101 -8.581 -26.982 8.065 741 H GLY 102 H GLY 102 -11.376 -25.160 9.848 742 HA2 GLY 102 1HA GLY 102 -10.914 -26.737 12.173 743 HA3 GLY 102 2HA GLY 102 -11.839 -25.297 12.572 744 H SER 103 H SER 103 -12.569 -28.173 12.613 745 HA SER 103 HA SER 103 -14.890 -28.023 10.803 746 HB2 SER 103 1HB SER 103 -14.847 -30.559 10.877 747 HB3 SER 103 2HB SER 103 -13.512 -29.804 10.005 748 HG SER 103 HG SER 103 -12.166 -30.230 11.699 749 H GLY 104 H GLY 104 -16.775 -27.870 11.812 750 HA2 GLY 104 1HA GLY 104 -16.999 -29.013 14.528 751 HA3 GLY 104 2HA GLY 104 -17.686 -27.450 14.114 752 HA PRO 105 HA PRO 105 -20.270 -30.980 11.969 753 HB2 PRO 105 1HB PRO 105 -20.146 -33.363 13.263 754 HB3 PRO 105 2HB PRO 105 -19.070 -32.939 11.927 755 HG2 PRO 105 1HG PRO 105 -18.559 -32.842 14.875 756 HG3 PRO 105 2HG PRO 105 -17.501 -33.420 13.575 757 HD2 PRO 105 1HD PRO 105 -17.218 -30.976 14.706 758 HD3 PRO 105 2HD PRO 105 -16.833 -31.290 13.001 759 H SER 106 H SER 106 -22.386 -31.629 12.550 760 HA SER 106 HA SER 106 -23.114 -31.222 15.371 761 HB2 SER 106 1HB SER 106 -23.603 -29.201 13.901 762 HB3 SER 106 2HB SER 106 -24.794 -30.206 13.075 763 HG SER 106 HG SER 106 -25.685 -28.951 14.801 764 H SER 107 H SER 107 -25.501 -31.921 15.696 765 HA SER 107 HA SER 107 -25.693 -34.639 14.687 766 HB2 SER 107 1HB SER 107 -26.037 -34.422 17.042 767 HB3 SER 107 2HB SER 107 -27.207 -33.122 16.817 768 HG SER 107 HG SER 107 -28.699 -34.573 16.592 769 H GLY 108 H GLY 108 -27.496 -35.496 13.617 770 HA2 GLY 108 1HA GLY 108 -29.775 -35.146 12.772 771 HA3 GLY 108 2HA GLY 108 -29.313 -33.483 12.443 Start of MODEL 20 1 H1 GLY 1 H GLY 1 23.009 37.951 10.033 2 HA2 GLY 1 1HA GLY 1 23.334 40.365 8.369 3 HA3 GLY 1 2HA GLY 1 23.732 38.730 7.860 4 H SER 2 H SER 2 22.438 38.364 6.163 5 HA SER 2 HA SER 2 19.558 38.380 6.638 6 HB2 SER 2 1HB SER 2 20.906 39.830 4.352 7 HB3 SER 2 2HB SER 2 19.187 39.437 4.378 8 HG SER 2 HG SER 2 18.881 40.822 6.035 9 H SER 3 H SER 3 18.637 36.580 5.900 10 HA SER 3 HA SER 3 19.751 35.193 3.593 11 HB2 SER 3 1HB SER 3 20.813 34.337 5.795 12 HB3 SER 3 2HB SER 3 19.239 33.602 6.096 13 HG SER 3 HG SER 3 21.139 33.014 4.126 14 H GLY 4 H GLY 4 18.333 33.427 2.839 15 HA2 GLY 4 1HA GLY 4 16.140 32.329 3.110 16 HA3 GLY 4 2HA GLY 4 15.527 33.887 3.646 17 H SER 5 H SER 5 17.013 32.277 0.852 18 HA SER 5 HA SER 5 15.766 34.250 -0.917 19 HB2 SER 5 1HB SER 5 17.197 33.299 -2.674 20 HB3 SER 5 2HB SER 5 18.156 33.772 -1.271 21 HG SER 5 HG SER 5 18.878 31.786 -1.598 22 H SER 6 H SER 6 14.042 33.800 -2.134 23 HA SER 6 HA SER 6 12.483 31.521 -1.718 24 HB2 SER 6 1HB SER 6 11.151 32.304 -3.651 25 HB3 SER 6 2HB SER 6 11.532 33.618 -2.538 26 HG SER 6 HG SER 6 11.863 34.058 -4.839 27 H GLY 7 H GLY 7 11.976 29.750 -3.075 28 HA2 GLY 7 1HA GLY 7 13.182 29.157 -5.523 29 HA3 GLY 7 2HA GLY 7 14.215 28.501 -4.261 30 HA PRO 8 HA PRO 8 11.154 25.224 -5.300 31 HB2 PRO 8 1HB PRO 8 12.944 23.191 -5.111 32 HB3 PRO 8 2HB PRO 8 12.719 24.139 -6.586 33 HG2 PRO 8 1HG PRO 8 14.824 24.394 -4.473 34 HG3 PRO 8 2HG PRO 8 14.995 24.467 -6.236 35 HD2 PRO 8 1HD PRO 8 14.933 26.686 -4.686 36 HD3 PRO 8 2HD PRO 8 14.290 26.659 -6.340 37 H ALA 9 H ALA 9 10.207 23.690 -3.940 38 HA ALA 9 HA ALA 9 10.529 24.151 -1.146 39 HB1 ALA 9 1HB ALA 9 8.996 21.850 -1.419 40 HB2 ALA 9 2HB ALA 9 8.404 23.506 -1.276 41 HB3 ALA 9 3HB ALA 9 8.649 22.791 -2.870 42 H ARG 10 H ARG 10 11.480 22.920 0.410 43 HA ARG 10 HA ARG 10 13.033 20.595 -0.523 44 HB2 ARG 10 1HB ARG 10 14.705 21.121 1.138 45 HB3 ARG 10 2HB ARG 10 14.405 22.548 0.156 46 HG2 ARG 10 1HG ARG 10 14.408 23.509 2.210 47 HG3 ARG 10 2HG ARG 10 12.698 23.084 2.104 48 HD2 ARG 10 1HD ARG 10 13.688 22.465 4.271 49 HD3 ARG 10 2HD ARG 10 13.086 21.067 3.382 50 HE ARG 10 HE ARG 10 15.209 20.244 3.364 51 HH11 ARG 10 2HH1 ARG 10 15.361 23.682 3.889 52 HH12 ARG 10 1HH1 ARG 10 17.076 23.701 4.133 53 HH21 ARG 10 2HH2 ARG 10 17.468 20.255 3.684 54 HH22 ARG 10 1HH2 ARG 10 18.274 21.751 4.015 55 H PHE 11 H PHE 11 13.442 18.925 1.111 56 HA PHE 11 HA PHE 11 11.013 18.303 2.536 57 HB2 PHE 11 1HB PHE 11 13.586 16.823 2.035 58 HB3 PHE 11 2HB PHE 11 12.376 16.203 3.154 59 HD1 PHE 11 1HD PHE 11 9.986 15.917 2.234 60 HD2 PHE 11 2HD PHE 11 13.437 16.339 -0.221 61 HE1 PHE 11 1HE PHE 11 8.769 14.897 0.355 62 HE2 PHE 11 2HE PHE 11 12.225 15.320 -2.105 63 HZ PHE 11 HZ PHE 11 9.888 14.598 -1.818 64 H THR 12 H THR 12 10.723 18.165 4.722 65 HA THR 12 HA THR 12 12.898 19.254 6.388 66 HB THR 12 HB THR 12 11.221 20.162 7.888 67 HG1 THR 12 1HG THR 12 9.133 19.522 6.125 68 HG21 THR 12 1HG2 THR 12 11.893 21.270 5.588 69 HG22 THR 12 2HG2 THR 12 10.652 21.988 6.615 70 HG23 THR 12 3HG2 THR 12 10.187 21.010 5.224 71 H GLN 13 H GLN 13 10.774 16.620 5.862 72 HA GLN 13 HA GLN 13 11.906 15.245 8.174 73 HB2 GLN 13 1HB GLN 13 9.029 15.884 7.783 74 HB3 GLN 13 2HB GLN 13 9.422 14.285 8.401 75 HG2 GLN 13 1HG GLN 13 10.678 16.657 9.680 76 HG3 GLN 13 2HG GLN 13 8.983 16.305 10.014 77 HE21 GLN 13 1HE2 GLN 13 11.320 16.219 11.773 78 HE22 GLN 13 2HE2 GLN 13 11.371 14.615 12.413 79 H ASP 14 H ASP 14 12.794 13.458 7.406 80 HA ASP 14 HA ASP 14 12.661 12.388 4.929 81 HB2 ASP 14 1HB ASP 14 13.977 11.656 7.111 82 HB3 ASP 14 2HB ASP 14 12.711 10.433 7.185 83 H LEU 15 H LEU 15 11.612 10.487 4.029 84 HA LEU 15 HA LEU 15 8.819 10.625 4.158 85 HB2 LEU 15 1HB LEU 15 10.533 9.581 2.408 86 HB3 LEU 15 2HB LEU 15 10.087 8.101 3.253 87 HG LEU 15 HG LEU 15 7.924 9.875 2.220 88 HD11 LEU 15 1HD1 LEU 15 8.930 9.813 0.192 89 HD12 LEU 15 2HD1 LEU 15 8.179 8.218 0.146 90 HD13 LEU 15 3HD1 LEU 15 9.880 8.378 0.581 91 HD21 LEU 15 1HD2 LEU 15 7.422 7.187 1.703 92 HD22 LEU 15 2HD2 LEU 15 6.758 8.158 3.017 93 HD23 LEU 15 3HD2 LEU 15 8.219 7.204 3.276 94 H LYS 16 H LYS 16 7.345 8.810 4.698 95 HA LYS 16 HA LYS 16 8.287 7.227 6.989 96 HB2 LYS 16 1HB LYS 16 7.120 8.997 8.035 97 HB3 LYS 16 2HB LYS 16 5.842 8.977 6.827 98 HG2 LYS 16 1HG LYS 16 6.257 6.549 8.492 99 HG3 LYS 16 2HG LYS 16 5.480 7.958 9.218 100 HD2 LYS 16 1HD LYS 16 3.625 7.786 7.896 101 HD3 LYS 16 2HD LYS 16 4.515 7.062 6.554 102 HE2 LYS 16 1HE LYS 16 3.287 5.265 7.296 103 HE3 LYS 16 2HE LYS 16 4.784 5.052 8.203 104 HZ1 LYS 16 1HZ LYS 16 2.239 5.244 9.232 105 HZ2 LYS 16 2HZ LYS 16 2.968 6.723 9.609 106 HZ3 LYS 16 3HZ LYS 16 3.689 5.275 10.103 107 H THR 17 H THR 17 7.127 5.279 7.378 108 HA THR 17 HA THR 17 5.031 4.422 5.627 109 HB THR 17 HB THR 17 6.666 4.025 3.987 110 HG1 THR 17 1HG THR 17 6.863 1.481 5.082 111 HG21 THR 17 1HG2 THR 17 8.772 2.737 4.524 112 HG22 THR 17 2HG2 THR 17 8.387 2.975 6.228 113 HG23 THR 17 3HG2 THR 17 8.690 4.368 5.190 114 H LYS 18 H LYS 18 4.609 1.997 5.955 115 HA LYS 18 HA LYS 18 5.431 1.120 8.633 116 HB2 LYS 18 1HB LYS 18 3.312 0.933 9.458 117 HB3 LYS 18 2HB LYS 18 3.047 2.281 8.360 118 HG2 LYS 18 1HG LYS 18 2.503 -0.608 7.707 119 HG3 LYS 18 2HG LYS 18 1.289 0.567 8.220 120 HD2 LYS 18 1HD LYS 18 2.338 1.936 6.190 121 HD3 LYS 18 2HD LYS 18 2.714 0.305 5.630 122 HE2 LYS 18 1HE LYS 18 0.586 0.956 4.730 123 HE3 LYS 18 2HE LYS 18 0.326 -0.294 5.946 124 HZ1 LYS 18 1HZ LYS 18 0.187 2.508 6.786 125 HZ2 LYS 18 2HZ LYS 18 -0.656 1.165 7.372 126 HZ3 LYS 18 3HZ LYS 18 -1.113 1.875 5.907 127 H GLU 19 H GLU 19 4.334 -1.208 8.958 128 HA GLU 19 HA GLU 19 5.109 -2.749 6.576 129 HB2 GLU 19 1HB GLU 19 6.529 -3.309 8.395 130 HB3 GLU 19 2HB GLU 19 5.178 -3.410 9.515 131 HG2 GLU 19 1HG GLU 19 4.352 -5.383 8.269 132 HG3 GLU 19 2HG GLU 19 5.799 -5.310 7.266 133 H ALA 20 H ALA 20 3.386 -3.336 5.429 134 HA ALA 20 HA ALA 20 1.009 -4.308 6.879 135 HB1 ALA 20 1HB ALA 20 -0.321 -3.623 4.930 136 HB2 ALA 20 2HB ALA 20 0.522 -2.262 5.671 137 HB3 ALA 20 3HB ALA 20 1.136 -2.972 4.178 138 H SER 21 H SER 21 -0.324 -5.860 5.516 139 HA SER 21 HA SER 21 1.505 -7.842 4.355 140 HB2 SER 21 1HB SER 21 -1.176 -8.051 5.702 141 HB3 SER 21 2HB SER 21 -0.579 -9.357 4.677 142 HG SER 21 HG SER 21 0.209 -9.886 6.613 143 H GLU 22 H GLU 22 0.482 -9.244 2.614 144 HA GLU 22 HA GLU 22 0.039 -7.816 0.320 145 HB2 GLU 22 1HB GLU 22 -0.560 -10.612 1.149 146 HB3 GLU 22 2HB GLU 22 -1.280 -10.035 -0.348 147 HG2 GLU 22 1HG GLU 22 0.903 -9.513 -1.241 148 HG3 GLU 22 2HG GLU 22 1.662 -9.976 0.281 149 H GLY 23 H GLY 23 -1.696 -7.009 -0.787 150 HA2 GLY 23 1HA GLY 23 -3.950 -6.580 -1.247 151 HA3 GLY 23 2HA GLY 23 -4.392 -7.452 0.213 152 H ALA 24 H ALA 24 -2.454 -5.891 1.828 153 HA ALA 24 HA ALA 24 -4.181 -3.907 2.772 154 HB1 ALA 24 1HB ALA 24 -2.192 -5.026 3.941 155 HB2 ALA 24 2HB ALA 24 -1.211 -3.781 3.166 156 HB3 ALA 24 3HB ALA 24 -2.499 -3.322 4.280 157 H THR 25 H THR 25 -2.909 -1.574 3.110 158 HA THR 25 HA THR 25 -2.298 -0.591 0.404 159 HB THR 25 HB THR 25 -4.132 0.731 2.412 160 HG1 THR 25 1HG THR 25 -5.688 0.386 0.796 161 HG21 THR 25 1HG2 THR 25 -2.536 2.226 1.041 162 HG22 THR 25 2HG2 THR 25 -4.258 2.610 1.029 163 HG23 THR 25 3HG2 THR 25 -3.532 1.767 -0.340 164 H ALA 26 H ALA 26 -0.213 -0.035 0.528 165 HA ALA 26 HA ALA 26 1.155 0.740 2.848 166 HB1 ALA 26 1HB ALA 26 1.812 1.199 -0.056 167 HB2 ALA 26 2HB ALA 26 2.920 1.535 1.275 168 HB3 ALA 26 3HB ALA 26 2.374 -0.116 0.977 169 H THR 27 H THR 27 1.168 2.577 3.955 170 HA THR 27 HA THR 27 0.141 5.009 2.645 171 HB THR 27 HB THR 27 0.156 4.361 5.600 172 HG1 THR 27 1HG THR 27 -1.370 3.120 4.383 173 HG21 THR 27 1HG2 THR 27 -0.551 6.768 4.015 174 HG22 THR 27 2HG2 THR 27 0.098 6.638 5.651 175 HG23 THR 27 3HG2 THR 27 -1.616 6.345 5.355 176 H LEU 28 H LEU 28 1.827 6.202 2.005 177 HA LEU 28 HA LEU 28 4.102 6.512 3.847 178 HB2 LEU 28 1HB LEU 28 3.997 7.057 0.884 179 HB3 LEU 28 2HB LEU 28 5.421 7.160 1.917 180 HG LEU 28 HG LEU 28 4.796 4.599 2.338 181 HD11 LEU 28 1HD1 LEU 28 3.217 5.391 0.035 182 HD12 LEU 28 2HD1 LEU 28 3.155 3.916 0.998 183 HD13 LEU 28 3HD1 LEU 28 4.315 4.057 -0.322 184 HD21 LEU 28 1HD2 LEU 28 6.947 5.003 1.650 185 HD22 LEU 28 2HD2 LEU 28 6.441 5.942 0.246 186 HD23 LEU 28 3HD2 LEU 28 6.297 4.184 0.230 187 H GLN 29 H GLN 29 4.236 8.374 4.893 188 HA GLN 29 HA GLN 29 3.011 10.763 3.676 189 HB2 GLN 29 1HB GLN 29 3.090 9.849 6.541 190 HB3 GLN 29 2HB GLN 29 2.826 11.538 6.128 191 HG2 GLN 29 1HG GLN 29 0.832 10.976 4.904 192 HG3 GLN 29 2HG GLN 29 1.123 9.256 5.156 193 HE21 GLN 29 1HE2 GLN 29 -1.254 10.058 5.890 194 HE22 GLN 29 2HE2 GLN 29 -1.396 10.212 7.604 195 H CYS 30 H CYS 30 4.231 12.555 3.489 196 HA CYS 30 HA CYS 30 6.819 12.636 4.876 197 HB2 CYS 30 1HB CYS 30 7.986 13.283 2.896 198 HB3 CYS 30 2HB CYS 30 7.063 11.840 2.494 199 HG CYS 30 HG CYS 30 5.639 12.861 0.597 200 H GLU 31 H GLU 31 7.808 14.836 4.824 201 HA GLU 31 HA GLU 31 5.708 16.903 4.892 202 HB2 GLU 31 1HB GLU 31 6.967 16.070 7.071 203 HB3 GLU 31 2HB GLU 31 8.201 17.187 6.506 204 HG2 GLU 31 1HG GLU 31 6.754 19.034 6.675 205 HG3 GLU 31 2HG GLU 31 5.335 18.003 6.851 206 H LEU 32 H LEU 32 6.513 19.135 4.553 207 HA LEU 32 HA LEU 32 8.965 19.336 2.984 208 HB2 LEU 32 1HB LEU 32 6.233 20.097 1.970 209 HB3 LEU 32 2HB LEU 32 7.739 20.633 1.228 210 HG LEU 32 HG LEU 32 6.925 17.742 1.497 211 HD11 LEU 32 1HD1 LEU 32 6.756 18.204 -1.124 212 HD12 LEU 32 2HD1 LEU 32 6.275 19.793 -0.532 213 HD13 LEU 32 3HD1 LEU 32 5.377 18.359 -0.035 214 HD21 LEU 32 1HD2 LEU 32 9.199 19.187 0.189 215 HD22 LEU 32 2HD2 LEU 32 8.662 17.615 -0.405 216 HD23 LEU 32 3HD2 LEU 32 9.236 17.782 1.255 217 H SER 33 H SER 33 9.583 21.592 2.558 218 HA SER 33 HA SER 33 9.276 23.182 4.895 219 HB2 SER 33 1HB SER 33 10.741 23.427 2.315 220 HB3 SER 33 2HB SER 33 10.448 24.910 3.224 221 HG SER 33 HG SER 33 11.902 24.313 4.613 222 H LYS 34 H LYS 34 7.538 22.943 1.956 223 HA LYS 34 HA LYS 34 5.597 24.848 2.823 224 HB2 LYS 34 1HB LYS 34 5.830 26.522 1.171 225 HB3 LYS 34 2HB LYS 34 7.447 26.277 1.819 226 HG2 LYS 34 1HG LYS 34 8.186 25.188 -0.097 227 HG3 LYS 34 2HG LYS 34 6.545 24.836 -0.645 228 HD2 LYS 34 1HD LYS 34 7.045 26.578 -2.036 229 HD3 LYS 34 2HD LYS 34 6.378 27.478 -0.672 230 HE2 LYS 34 1HE LYS 34 9.308 26.875 -0.821 231 HE3 LYS 34 2HE LYS 34 8.627 28.234 -1.713 232 HZ1 LYS 34 1HZ LYS 34 8.446 27.810 1.221 233 HZ2 LYS 34 2HZ LYS 34 7.749 29.100 0.377 234 HZ3 LYS 34 3HZ LYS 34 9.432 28.941 0.438 235 H VAL 35 H VAL 35 3.738 24.949 1.380 236 HA VAL 35 HA VAL 35 3.028 22.432 0.357 237 HB VAL 35 HB VAL 35 1.710 25.052 -0.358 238 HG11 VAL 35 1HG1 VAL 35 1.146 22.310 -0.957 239 HG12 VAL 35 2HG1 VAL 35 -0.147 22.977 0.041 240 HG13 VAL 35 3HG1 VAL 35 0.291 23.762 -1.476 241 HG21 VAL 35 1HG2 VAL 35 1.498 23.370 2.124 242 HG22 VAL 35 2HG2 VAL 35 1.828 25.097 1.993 243 HG23 VAL 35 3HG2 VAL 35 0.219 24.477 1.624 244 H ALA 36 H ALA 36 4.383 21.676 -1.224 245 HA ALA 36 HA ALA 36 4.182 23.033 -3.818 246 HB1 ALA 36 1HB ALA 36 6.755 21.899 -2.727 247 HB2 ALA 36 2HB ALA 36 6.523 22.671 -4.297 248 HB3 ALA 36 3HB ALA 36 6.360 23.616 -2.817 249 HA PRO 37 HA PRO 37 3.228 19.046 -5.394 250 HB2 PRO 37 1HB PRO 37 4.143 19.280 -7.940 251 HB3 PRO 37 2HB PRO 37 2.685 20.096 -7.364 252 HG2 PRO 37 1HG PRO 37 5.455 21.180 -7.702 253 HG3 PRO 37 2HG PRO 37 3.902 21.927 -8.123 254 HD2 PRO 37 1HD PRO 37 5.266 22.569 -5.874 255 HD3 PRO 37 2HD PRO 37 3.493 22.594 -5.955 256 H VAL 38 H VAL 38 4.136 17.063 -5.462 257 HA VAL 38 HA VAL 38 7.058 16.893 -5.812 258 HB VAL 38 HB VAL 38 7.232 15.235 -4.115 259 HG11 VAL 38 1HG1 VAL 38 6.869 17.741 -3.503 260 HG12 VAL 38 2HG1 VAL 38 5.356 17.157 -2.808 261 HG13 VAL 38 3HG1 VAL 38 6.897 16.522 -2.230 262 HG21 VAL 38 1HG2 VAL 38 5.358 14.310 -2.913 263 HG22 VAL 38 2HG2 VAL 38 4.235 15.352 -3.787 264 HG23 VAL 38 3HG2 VAL 38 5.105 14.079 -4.643 265 H GLU 39 H GLU 39 7.771 14.607 -6.317 266 HA GLU 39 HA GLU 39 5.780 13.208 -7.969 267 HB2 GLU 39 1HB GLU 39 7.157 14.496 -9.486 268 HB3 GLU 39 2HB GLU 39 8.624 13.883 -8.734 269 HG2 GLU 39 1HG GLU 39 7.740 11.564 -9.439 270 HG3 GLU 39 2HG GLU 39 6.695 12.474 -10.529 271 H TRP 40 H TRP 40 5.506 11.254 -7.138 272 HA TRP 40 HA TRP 40 7.494 10.011 -5.478 273 HB2 TRP 40 1HB TRP 40 4.840 8.991 -6.512 274 HB3 TRP 40 2HB TRP 40 5.847 8.150 -5.337 275 HD1 TRP 40 HD TRP 40 3.967 11.526 -5.665 276 HE1 TRP 40 1HE TRP 40 3.184 12.226 -3.315 277 HE3 TRP 40 3HE TRP 40 6.087 7.753 -2.945 278 HZ2 TRP 40 2HZ TRP 40 3.432 11.301 -0.660 279 HZ3 TRP 40 3HZ TRP 40 5.767 7.734 -0.505 280 HH2 TRP 40 HH TRP 40 4.467 9.472 0.612 281 H LYS 41 H LYS 41 8.675 8.154 -5.889 282 HA LYS 41 HA LYS 41 8.581 7.044 -8.597 283 HB2 LYS 41 1HB LYS 41 10.882 8.449 -7.326 284 HB3 LYS 41 2HB LYS 41 11.225 7.041 -8.322 285 HG2 LYS 41 1HG LYS 41 9.628 8.317 -10.010 286 HG3 LYS 41 2HG LYS 41 10.199 9.712 -9.092 287 HD2 LYS 41 1HD LYS 41 12.550 8.730 -9.481 288 HD3 LYS 41 2HD LYS 41 11.777 7.759 -10.737 289 HE2 LYS 41 1HE LYS 41 12.403 9.568 -11.980 290 HE3 LYS 41 2HE LYS 41 10.808 10.107 -11.459 291 HZ1 LYS 41 1HZ LYS 41 11.901 11.296 -9.620 292 HZ2 LYS 41 2HZ LYS 41 12.386 11.862 -11.137 293 HZ3 LYS 41 3HZ LYS 41 13.411 10.856 -10.243 294 H LYS 42 H LYS 42 9.388 4.925 -8.783 295 HA LYS 42 HA LYS 42 9.829 3.558 -6.208 296 HB2 LYS 42 1HB LYS 42 7.636 3.032 -7.249 297 HB3 LYS 42 2HB LYS 42 8.481 2.431 -8.670 298 HG2 LYS 42 1HG LYS 42 9.345 0.588 -7.519 299 HG3 LYS 42 2HG LYS 42 8.994 1.298 -5.942 300 HD2 LYS 42 1HD LYS 42 6.737 0.813 -6.081 301 HD3 LYS 42 2HD LYS 42 6.759 0.728 -7.844 302 HE2 LYS 42 1HE LYS 42 6.486 -1.487 -6.871 303 HE3 LYS 42 2HE LYS 42 8.023 -1.363 -7.725 304 HZ1 LYS 42 1HZ LYS 42 8.039 -2.463 -5.456 305 HZ2 LYS 42 2HZ LYS 42 7.827 -0.914 -4.810 306 HZ3 LYS 42 3HZ LYS 42 9.202 -1.266 -5.730 307 H GLY 43 H GLY 43 11.606 4.676 -8.491 308 HA2 GLY 43 1HA GLY 43 13.868 3.331 -8.267 309 HA3 GLY 43 2HA GLY 43 12.980 2.229 -9.309 310 HA PRO 44 HA PRO 44 15.208 4.867 -12.256 311 HB2 PRO 44 1HB PRO 44 15.194 3.015 -14.240 312 HB3 PRO 44 2HB PRO 44 16.380 3.009 -12.929 313 HG2 PRO 44 1HG PRO 44 13.884 1.384 -13.234 314 HG3 PRO 44 2HG PRO 44 15.490 0.875 -12.681 315 HD2 PRO 44 1HD PRO 44 13.456 1.392 -10.970 316 HD3 PRO 44 2HD PRO 44 15.155 1.694 -10.553 317 H GLU 45 H GLU 45 12.071 3.923 -11.949 318 HA GLU 45 HA GLU 45 11.298 5.166 -14.508 319 HB2 GLU 45 1HB GLU 45 10.205 2.828 -13.033 320 HB3 GLU 45 2HB GLU 45 9.049 3.875 -13.844 321 HG2 GLU 45 1HG GLU 45 9.765 3.298 -15.923 322 HG3 GLU 45 2HG GLU 45 11.414 2.977 -15.388 323 H THR 46 H THR 46 9.115 6.237 -14.412 324 HA THR 46 HA THR 46 8.892 7.737 -11.889 325 HB THR 46 HB THR 46 7.647 8.735 -14.413 326 HG1 THR 46 1HG THR 46 10.424 8.719 -13.815 327 HG21 THR 46 1HG2 THR 46 9.012 10.749 -13.032 328 HG22 THR 46 2HG2 THR 46 8.294 9.731 -11.784 329 HG23 THR 46 3HG2 THR 46 7.275 10.447 -13.032 330 H LEU 47 H LEU 47 6.956 7.921 -10.856 331 HA LEU 47 HA LEU 47 4.801 6.193 -11.839 332 HB2 LEU 47 1HB LEU 47 5.424 7.310 -9.116 333 HB3 LEU 47 2HB LEU 47 3.925 6.462 -9.489 334 HG LEU 47 HG LEU 47 6.712 5.310 -9.568 335 HD11 LEU 47 1HD1 LEU 47 5.906 3.911 -7.733 336 HD12 LEU 47 2HD1 LEU 47 4.365 4.768 -7.754 337 HD13 LEU 47 3HD1 LEU 47 5.843 5.624 -7.316 338 HD21 LEU 47 1HD2 LEU 47 5.783 4.011 -11.168 339 HD22 LEU 47 2HD2 LEU 47 4.132 4.373 -10.661 340 HD23 LEU 47 3HD2 LEU 47 5.087 3.185 -9.773 341 H ARG 48 H ARG 48 2.559 7.043 -10.894 342 HA ARG 48 HA ARG 48 2.223 9.900 -11.062 343 HB2 ARG 48 1HB ARG 48 1.540 8.099 -13.335 344 HB3 ARG 48 2HB ARG 48 0.426 9.407 -12.960 345 HG2 ARG 48 1HG ARG 48 2.297 11.008 -13.163 346 HG3 ARG 48 2HG ARG 48 3.345 9.673 -13.646 347 HD2 ARG 48 1HD ARG 48 0.783 10.208 -15.101 348 HD3 ARG 48 2HD ARG 48 2.234 11.137 -15.472 349 HE ARG 48 HE ARG 48 3.001 8.497 -15.560 350 HH11 ARG 48 2HH1 ARG 48 0.667 10.502 -17.190 351 HH12 ARG 48 1HH1 ARG 48 0.721 9.593 -18.663 352 HH21 ARG 48 2HH2 ARG 48 3.081 7.292 -17.495 353 HH22 ARG 48 1HH2 ARG 48 2.094 7.766 -18.836 354 H ASP 49 H ASP 49 -0.093 10.521 -10.813 355 HA ASP 49 HA ASP 49 -1.386 8.658 -8.969 356 HB2 ASP 49 1HB ASP 49 -2.641 10.546 -8.163 357 HB3 ASP 49 2HB ASP 49 -0.950 11.025 -8.281 358 H GLY 50 H GLY 50 -2.920 7.364 -9.723 359 HA2 GLY 50 1HA GLY 50 -5.278 8.056 -10.885 360 HA3 GLY 50 2HA GLY 50 -4.196 7.870 -12.257 361 H GLY 51 H GLY 51 -5.789 6.228 -9.605 362 HA2 GLY 51 1HA GLY 51 -6.735 4.023 -10.232 363 HA3 GLY 51 2HA GLY 51 -5.165 3.661 -10.933 364 H ARG 52 H ARG 52 -4.381 2.040 -9.735 365 HA ARG 52 HA ARG 52 -4.908 1.485 -7.078 366 HB2 ARG 52 1HB ARG 52 -2.515 0.844 -8.794 367 HB3 ARG 52 2HB ARG 52 -2.679 0.243 -7.150 368 HG2 ARG 52 1HG ARG 52 -4.621 -1.007 -7.714 369 HG3 ARG 52 2HG ARG 52 -4.724 -0.240 -9.300 370 HD2 ARG 52 1HD ARG 52 -2.478 -1.246 -9.815 371 HD3 ARG 52 2HD ARG 52 -2.626 -2.163 -8.316 372 HE ARG 52 HE ARG 52 -4.932 -2.625 -9.792 373 HH11 ARG 52 2HH1 ARG 52 -1.510 -3.199 -10.072 374 HH12 ARG 52 1HH1 ARG 52 -1.696 -4.630 -11.031 375 HH21 ARG 52 2HH2 ARG 52 -5.190 -4.508 -11.053 376 HH22 ARG 52 1HH2 ARG 52 -3.790 -5.373 -11.589 377 H TYR 53 H TYR 53 -2.348 3.491 -8.464 378 HA TYR 53 HA TYR 53 -1.268 4.100 -5.841 379 HB2 TYR 53 1HB TYR 53 -0.508 5.178 -8.563 380 HB3 TYR 53 2HB TYR 53 0.382 5.442 -7.068 381 HD1 TYR 53 1HD TYR 53 1.153 3.259 -5.826 382 HD2 TYR 53 2HD TYR 53 0.126 3.437 -9.951 383 HE1 TYR 53 1HE TYR 53 2.452 1.210 -6.232 384 HE2 TYR 53 2HE TYR 53 1.421 1.388 -10.368 385 HH TYR 53 HH TYR 53 3.170 0.090 -9.412 386 H SER 54 H SER 54 -2.303 5.521 -4.612 387 HA SER 54 HA SER 54 -3.606 7.825 -5.901 388 HB2 SER 54 1HB SER 54 -4.860 6.103 -4.344 389 HB3 SER 54 2HB SER 54 -4.143 7.069 -3.054 390 HG SER 54 HG SER 54 -5.525 8.593 -3.465 391 H LEU 55 H LEU 55 -2.624 9.716 -5.712 392 HA LEU 55 HA LEU 55 -1.050 10.269 -3.293 393 HB2 LEU 55 1HB LEU 55 -0.156 11.313 -5.942 394 HB3 LEU 55 2HB LEU 55 0.772 11.076 -4.463 395 HG LEU 55 HG LEU 55 0.489 8.571 -4.899 396 HD11 LEU 55 1HD1 LEU 55 -1.170 9.457 -6.912 397 HD12 LEU 55 2HD1 LEU 55 -0.507 7.831 -6.748 398 HD13 LEU 55 3HD1 LEU 55 0.311 9.018 -7.764 399 HD21 LEU 55 1HD2 LEU 55 2.191 9.032 -7.015 400 HD22 LEU 55 2HD2 LEU 55 2.642 8.983 -5.311 401 HD23 LEU 55 3HD2 LEU 55 2.285 10.528 -6.085 402 H LYS 56 H LYS 56 -1.707 12.056 -2.313 403 HA LYS 56 HA LYS 56 -2.722 14.290 -3.910 404 HB2 LYS 56 1HB LYS 56 -4.682 12.986 -3.163 405 HB3 LYS 56 2HB LYS 56 -4.153 13.164 -1.495 406 HG2 LYS 56 1HG LYS 56 -4.347 15.642 -1.791 407 HG3 LYS 56 2HG LYS 56 -5.093 15.328 -3.360 408 HD2 LYS 56 1HD LYS 56 -6.973 15.468 -2.072 409 HD3 LYS 56 2HD LYS 56 -6.634 13.744 -1.899 410 HE2 LYS 56 1HE LYS 56 -5.252 14.454 0.161 411 HE3 LYS 56 2HE LYS 56 -6.142 15.972 0.047 412 HZ1 LYS 56 1HZ LYS 56 -7.954 13.834 -0.146 413 HZ2 LYS 56 2HZ LYS 56 -7.850 15.021 1.054 414 HZ3 LYS 56 3HZ LYS 56 -6.976 13.581 1.211 415 H GLN 57 H GLN 57 -2.728 16.332 -2.764 416 HA GLN 57 HA GLN 57 -0.509 16.488 -0.892 417 HB2 GLN 57 1HB GLN 57 -1.046 18.032 -2.976 418 HB3 GLN 57 2HB GLN 57 -2.014 18.901 -1.793 419 HG2 GLN 57 1HG GLN 57 -0.055 20.023 -1.581 420 HG3 GLN 57 2HG GLN 57 0.202 18.759 -0.379 421 HE21 GLN 57 1HE2 GLN 57 2.457 19.107 -0.632 422 HE22 GLN 57 2HE2 GLN 57 3.307 18.431 -1.975 423 H ASP 58 H ASP 58 -0.643 17.117 1.205 424 HA ASP 58 HA ASP 58 -3.290 17.850 2.254 425 HB2 ASP 58 1HB ASP 58 -2.424 15.371 2.623 426 HB3 ASP 58 2HB ASP 58 -1.504 16.131 3.919 427 H GLY 59 H GLY 59 -1.912 19.930 1.838 428 HA2 GLY 59 1HA GLY 59 -0.810 21.736 2.730 429 HA3 GLY 59 2HA GLY 59 -1.393 21.139 4.277 430 H THR 60 H THR 60 1.291 21.260 2.068 431 HA THR 60 HA THR 60 3.496 20.708 2.269 432 HB THR 60 HB THR 60 4.561 21.268 4.397 433 HG1 THR 60 1HG THR 60 2.681 20.351 5.637 434 HG21 THR 60 1HG2 THR 60 2.460 23.355 4.227 435 HG22 THR 60 2HG2 THR 60 3.367 23.005 2.755 436 HG23 THR 60 3HG2 THR 60 4.216 23.512 4.215 437 H ARG 61 H ARG 61 1.475 18.552 2.668 438 HA ARG 61 HA ARG 61 3.326 16.560 3.686 439 HB2 ARG 61 1HB ARG 61 0.761 17.284 5.019 440 HB3 ARG 61 2HB ARG 61 1.196 15.582 4.944 441 HG2 ARG 61 1HG ARG 61 3.418 16.242 5.955 442 HG3 ARG 61 2HG ARG 61 2.695 17.822 6.265 443 HD2 ARG 61 1HD ARG 61 2.216 16.792 8.243 444 HD3 ARG 61 2HD ARG 61 0.782 16.337 7.324 445 HE ARG 61 HE ARG 61 1.435 14.168 7.530 446 HH11 ARG 61 2HH1 ARG 61 4.244 16.196 7.878 447 HH12 ARG 61 1HH1 ARG 61 5.313 14.878 8.227 448 HH21 ARG 61 2HH2 ARG 61 2.833 12.425 7.988 449 HH22 ARG 61 1HH2 ARG 61 4.509 12.733 8.289 450 H CYS 62 H CYS 62 3.405 15.070 2.150 451 HA CYS 62 HA CYS 62 1.052 14.621 0.465 452 HB2 CYS 62 1HB CYS 62 3.925 13.756 0.074 453 HB3 CYS 62 2HB CYS 62 2.616 13.491 -1.071 454 HG CYS 62 HG CYS 62 3.732 16.583 -0.119 455 H GLU 63 H GLU 63 -0.037 12.737 0.432 456 HA GLU 63 HA GLU 63 1.037 10.512 2.036 457 HB2 GLU 63 1HB GLU 63 -0.799 11.638 3.221 458 HB3 GLU 63 2HB GLU 63 -1.848 11.392 1.832 459 HG2 GLU 63 1HG GLU 63 -1.654 8.968 2.123 460 HG3 GLU 63 2HG GLU 63 -0.630 9.230 3.534 461 H LEU 64 H LEU 64 1.544 8.905 0.708 462 HA LEU 64 HA LEU 64 -0.013 8.508 -1.739 463 HB2 LEU 64 1HB LEU 64 2.247 8.566 -2.266 464 HB3 LEU 64 2HB LEU 64 2.704 7.657 -0.826 465 HG LEU 64 HG LEU 64 1.693 5.630 -1.867 466 HD11 LEU 64 1HD1 LEU 64 1.729 7.046 -4.489 467 HD12 LEU 64 2HD1 LEU 64 0.303 7.169 -3.459 468 HD13 LEU 64 3HD1 LEU 64 0.862 5.588 -4.005 469 HD21 LEU 64 1HD2 LEU 64 3.756 6.749 -3.723 470 HD22 LEU 64 2HD2 LEU 64 3.595 5.112 -3.086 471 HD23 LEU 64 3HD2 LEU 64 4.152 6.417 -2.037 472 H GLN 65 H GLN 65 -1.230 6.734 -2.111 473 HA GLN 65 HA GLN 65 -1.249 4.646 -0.034 474 HB2 GLN 65 1HB GLN 65 -3.522 6.057 -1.387 475 HB3 GLN 65 2HB GLN 65 -3.739 4.421 -0.781 476 HG2 GLN 65 1HG GLN 65 -3.057 5.186 1.456 477 HG3 GLN 65 2HG GLN 65 -2.930 6.829 0.831 478 HE21 GLN 65 1HE2 GLN 65 -4.596 6.026 2.957 479 HE22 GLN 65 2HE2 GLN 65 -6.236 6.275 2.474 480 H ILE 66 H ILE 66 -0.598 2.761 -0.809 481 HA ILE 66 HA ILE 66 -0.909 2.213 -3.675 482 HB ILE 66 HB ILE 66 0.785 0.696 -1.693 483 HG12 ILE 66 1HG1 ILE 66 1.762 2.744 -3.682 484 HG13 ILE 66 2HG1 ILE 66 1.390 3.154 -2.011 485 HG21 ILE 66 1HG2 ILE 66 0.005 -0.325 -3.931 486 HG22 ILE 66 2HG2 ILE 66 1.160 0.790 -4.661 487 HG23 ILE 66 3HG2 ILE 66 1.714 -0.421 -3.505 488 HD11 ILE 66 1HD1 ILE 66 3.546 2.705 -1.656 489 HD12 ILE 66 2HD1 ILE 66 3.037 1.017 -1.694 490 HD13 ILE 66 3HD1 ILE 66 3.699 1.772 -3.144 491 H HIS 67 H HIS 67 -3.099 1.590 -3.615 492 HA HIS 67 HA HIS 67 -4.162 -0.352 -1.876 493 HB2 HIS 67 1HB HIS 67 -5.041 0.484 -4.646 494 HB3 HIS 67 2HB HIS 67 -5.986 -0.542 -3.570 495 HD1 HIS 67 1HD HIS 67 -7.102 0.592 -1.528 496 HD2 HIS 67 2HD HIS 67 -5.033 3.204 -4.009 497 HE1 HIS 67 1HE HIS 67 -7.820 2.898 -0.825 498 HE2 HIS 67 2HE HIS 67 -6.620 4.458 -2.397 499 H ASP 68 H ASP 68 -4.352 -2.542 -2.007 500 HA ASP 68 HA ASP 68 -4.032 -4.686 -2.725 501 HB2 ASP 68 1HB ASP 68 -4.702 -3.548 -5.005 502 HB3 ASP 68 2HB ASP 68 -2.997 -3.782 -5.383 503 H LEU 69 H LEU 69 -2.137 -3.686 -1.168 504 HA LEU 69 HA LEU 69 0.465 -3.466 -2.074 505 HB2 LEU 69 1HB LEU 69 -0.791 -4.295 0.484 506 HB3 LEU 69 2HB LEU 69 0.929 -4.620 0.275 507 HG LEU 69 HG LEU 69 -0.362 -1.899 0.077 508 HD11 LEU 69 1HD1 LEU 69 0.573 -3.462 2.342 509 HD12 LEU 69 2HD1 LEU 69 -0.379 -1.979 2.303 510 HD13 LEU 69 3HD1 LEU 69 1.380 -1.899 2.209 511 HD21 LEU 69 1HD2 LEU 69 2.008 -2.760 -1.019 512 HD22 LEU 69 2HD2 LEU 69 2.511 -2.077 0.527 513 HD23 LEU 69 3HD2 LEU 69 1.600 -1.091 -0.618 514 H SER 70 H SER 70 2.226 -4.942 -2.142 515 HA SER 70 HA SER 70 1.714 -7.781 -2.038 516 HB2 SER 70 1HB SER 70 2.046 -6.319 -4.631 517 HB3 SER 70 2HB SER 70 2.711 -7.944 -4.470 518 HG SER 70 HG SER 70 0.126 -7.150 -4.757 519 H VAL 71 H VAL 71 3.610 -9.033 -2.019 520 HA VAL 71 HA VAL 71 5.808 -8.021 -0.741 521 HB VAL 71 HB VAL 71 7.074 -10.010 -1.688 522 HG11 VAL 71 1HG1 VAL 71 5.326 -9.837 0.340 523 HG12 VAL 71 2HG1 VAL 71 4.531 -11.077 -0.631 524 HG13 VAL 71 3HG1 VAL 71 6.187 -11.319 -0.072 525 HG21 VAL 71 1HG2 VAL 71 5.282 -11.679 -2.693 526 HG22 VAL 71 2HG2 VAL 71 4.545 -10.174 -3.242 527 HG23 VAL 71 3HG2 VAL 71 6.195 -10.573 -3.720 528 H ALA 72 H ALA 72 5.224 -8.191 -4.208 529 HA ALA 72 HA ALA 72 7.811 -7.501 -5.076 530 HB1 ALA 72 1HB ALA 72 5.644 -8.327 -6.362 531 HB2 ALA 72 2HB ALA 72 5.470 -6.597 -6.660 532 HB3 ALA 72 3HB ALA 72 6.932 -7.438 -7.175 533 H ASP 73 H ASP 73 5.048 -5.555 -4.095 534 HA ASP 73 HA ASP 73 6.106 -3.058 -4.939 535 HB2 ASP 73 1HB ASP 73 3.883 -3.914 -3.126 536 HB3 ASP 73 2HB ASP 73 4.399 -2.230 -3.118 537 H ALA 74 H ALA 74 6.600 -5.053 -2.158 538 HA ALA 74 HA ALA 74 7.524 -3.093 -0.350 539 HB1 ALA 74 1HB ALA 74 8.860 -5.587 0.075 540 HB2 ALA 74 2HB ALA 74 7.572 -4.838 1.019 541 HB3 ALA 74 3HB ALA 74 7.173 -5.883 -0.344 542 H GLY 75 H GLY 75 9.055 -1.698 -1.057 543 HA2 GLY 75 1HA GLY 75 11.724 -2.753 -1.455 544 HA3 GLY 75 2HA GLY 75 11.043 -1.942 -2.858 545 H GLU 76 H GLU 76 11.709 0.079 -3.053 546 HA GLU 76 HA GLU 76 11.869 1.756 -0.654 547 HB2 GLU 76 1HB GLU 76 14.145 1.044 -1.025 548 HB3 GLU 76 2HB GLU 76 14.041 1.455 -2.731 549 HG2 GLU 76 1HG GLU 76 13.733 3.829 -2.085 550 HG3 GLU 76 2HG GLU 76 14.004 3.364 -0.407 551 H TYR 77 H TYR 77 10.391 3.274 -1.025 552 HA TYR 77 HA TYR 77 10.009 4.290 -3.742 553 HB2 TYR 77 1HB TYR 77 8.368 4.638 -1.227 554 HB3 TYR 77 2HB TYR 77 7.977 5.378 -2.776 555 HD1 TYR 77 1HD TYR 77 8.418 2.109 -1.076 556 HD2 TYR 77 2HD TYR 77 6.792 4.179 -4.418 557 HE1 TYR 77 1HE TYR 77 7.188 0.081 -1.726 558 HE2 TYR 77 2HE TYR 77 5.556 2.158 -5.076 559 HH TYR 77 HH TYR 77 5.761 -0.316 -4.738 560 H SER 78 H SER 78 11.048 6.061 -4.335 561 HA SER 78 HA SER 78 11.947 7.947 -2.273 562 HB2 SER 78 1HB SER 78 12.844 7.926 -5.152 563 HB3 SER 78 2HB SER 78 13.657 8.639 -3.759 564 HG SER 78 HG SER 78 13.331 5.887 -4.357 565 H CYS 79 H CYS 79 11.215 9.989 -2.186 566 HA CYS 79 HA CYS 79 9.297 10.822 -4.257 567 HB2 CYS 79 1HB CYS 79 8.445 10.509 -1.898 568 HB3 CYS 79 2HB CYS 79 9.463 11.865 -1.427 569 HG CYS 79 HG CYS 79 7.272 12.354 -3.962 570 H MET 80 H MET 80 10.027 12.324 -5.596 571 HA MET 80 HA MET 80 12.249 14.033 -4.777 572 HB2 MET 80 1HB MET 80 10.959 13.624 -7.480 573 HB3 MET 80 2HB MET 80 12.355 14.649 -7.174 574 HG2 MET 80 1HG MET 80 13.260 12.678 -8.005 575 HG3 MET 80 2HG MET 80 13.477 12.551 -6.261 576 HE1 MET 80 1HE MET 80 13.608 9.898 -8.252 577 HE2 MET 80 2HE MET 80 14.000 10.091 -6.543 578 HE3 MET 80 3HE MET 80 12.865 8.839 -7.052 579 H CYS 81 H CYS 81 11.936 16.048 -4.112 580 HA CYS 81 HA CYS 81 9.542 17.488 -5.030 581 HB2 CYS 81 1HB CYS 81 9.152 16.702 -2.738 582 HB3 CYS 81 2HB CYS 81 10.643 17.475 -2.212 583 HG CYS 81 HG CYS 81 9.276 19.967 -3.440 584 H GLY 82 H GLY 82 10.537 18.842 -6.449 585 HA2 GLY 82 1HA GLY 82 11.621 20.783 -7.062 586 HA3 GLY 82 2HA GLY 82 12.004 21.046 -5.367 587 H GLN 83 H GLN 83 13.964 20.360 -4.546 588 HA GLN 83 HA GLN 83 15.875 19.331 -6.539 589 HB2 GLN 83 1HB GLN 83 16.145 21.758 -5.765 590 HB3 GLN 83 2HB GLN 83 16.630 21.088 -4.213 591 HG2 GLN 83 1HG GLN 83 18.567 21.642 -5.547 592 HG3 GLN 83 2HG GLN 83 18.466 19.899 -5.298 593 HE21 GLN 83 1HE2 GLN 83 18.574 22.435 -7.567 594 HE22 GLN 83 2HE2 GLN 83 18.441 21.475 -8.998 595 H GLU 84 H GLU 84 14.758 19.247 -3.222 596 HA GLU 84 HA GLU 84 16.756 17.373 -2.351 597 HB2 GLU 84 1HB GLU 84 14.186 18.329 -1.085 598 HB3 GLU 84 2HB GLU 84 15.302 17.214 -0.308 599 HG2 GLU 84 1HG GLU 84 17.028 19.144 -0.865 600 HG3 GLU 84 2HG GLU 84 15.561 20.120 -0.813 601 H ARG 85 H ARG 85 15.919 15.303 -1.222 602 HA ARG 85 HA ARG 85 13.684 14.025 -2.542 603 HB2 ARG 85 1HB ARG 85 15.527 13.716 -4.155 604 HB3 ARG 85 2HB ARG 85 16.485 12.947 -2.898 605 HG2 ARG 85 1HG ARG 85 14.726 11.196 -2.717 606 HG3 ARG 85 2HG ARG 85 13.925 11.932 -4.107 607 HD2 ARG 85 1HD ARG 85 15.310 10.037 -4.781 608 HD3 ARG 85 2HD ARG 85 15.908 11.545 -5.469 609 HE ARG 85 HE ARG 85 17.223 9.881 -3.497 610 HH11 ARG 85 2HH1 ARG 85 17.081 12.977 -5.083 611 HH12 ARG 85 1HH1 ARG 85 18.720 13.391 -4.706 612 HH21 ARG 85 2HH2 ARG 85 19.383 10.415 -2.995 613 HH22 ARG 85 1HH2 ARG 85 20.029 11.933 -3.519 614 H THR 86 H THR 86 13.039 12.073 -1.540 615 HA THR 86 HA THR 86 14.457 11.347 0.924 616 HB THR 86 HB THR 86 12.647 12.895 1.565 617 HG1 THR 86 1HG THR 86 13.234 11.090 2.930 618 HG21 THR 86 1HG2 THR 86 10.471 11.026 1.035 619 HG22 THR 86 2HG2 THR 86 11.202 11.668 -0.436 620 HG23 THR 86 3HG2 THR 86 10.552 12.768 0.779 621 H SER 87 H SER 87 14.177 9.211 1.601 622 HA SER 87 HA SER 87 12.736 7.461 -0.281 623 HB2 SER 87 1HB SER 87 14.522 5.789 -0.015 624 HB3 SER 87 2HB SER 87 15.157 7.298 -0.672 625 HG SER 87 HG SER 87 15.480 7.692 1.787 626 H ALA 88 H ALA 88 11.968 5.458 0.601 627 HA ALA 88 HA ALA 88 12.030 5.078 3.468 628 HB1 ALA 88 1HB ALA 88 10.153 6.186 3.907 629 HB2 ALA 88 2HB ALA 88 9.818 6.429 2.192 630 HB3 ALA 88 3HB ALA 88 9.294 4.947 2.991 631 H THR 89 H THR 89 12.559 2.992 3.523 632 HA THR 89 HA THR 89 11.807 1.129 1.493 633 HB THR 89 HB THR 89 12.951 0.518 4.224 634 HG1 THR 89 1HG THR 89 14.924 0.877 3.353 635 HG21 THR 89 1HG2 THR 89 13.017 -1.034 1.633 636 HG22 THR 89 2HG2 THR 89 12.037 -1.427 3.046 637 HG23 THR 89 3HG2 THR 89 13.796 -1.508 3.142 638 H LEU 90 H LEU 90 9.796 0.396 1.295 639 HA LEU 90 HA LEU 90 8.058 0.180 3.611 640 HB2 LEU 90 1HB LEU 90 7.014 1.107 1.716 641 HB3 LEU 90 2HB LEU 90 7.651 -0.148 0.654 642 HG LEU 90 HG LEU 90 6.146 -1.702 2.176 643 HD11 LEU 90 1HD1 LEU 90 4.679 0.927 2.296 644 HD12 LEU 90 2HD1 LEU 90 5.496 0.171 3.663 645 HD13 LEU 90 3HD1 LEU 90 4.123 -0.633 2.903 646 HD21 LEU 90 1HD2 LEU 90 4.540 -0.133 0.259 647 HD22 LEU 90 2HD2 LEU 90 4.803 -1.874 0.366 648 HD23 LEU 90 3HD2 LEU 90 6.031 -0.839 -0.364 649 H THR 91 H THR 91 7.414 -1.670 4.566 650 HA THR 91 HA THR 91 8.618 -4.165 3.578 651 HB THR 91 HB THR 91 7.524 -3.678 6.349 652 HG1 THR 91 1HG THR 91 10.259 -3.580 5.571 653 HG21 THR 91 1HG2 THR 91 7.930 -5.850 6.629 654 HG22 THR 91 2HG2 THR 91 9.633 -5.563 6.271 655 HG23 THR 91 3HG2 THR 91 8.516 -5.975 4.971 656 H VAL 92 H VAL 92 7.360 -5.758 2.854 657 HA VAL 92 HA VAL 92 4.477 -5.648 3.466 658 HB VAL 92 HB VAL 92 5.748 -6.565 0.882 659 HG11 VAL 92 1HG1 VAL 92 3.789 -7.448 0.265 660 HG12 VAL 92 2HG1 VAL 92 3.382 -7.417 1.982 661 HG13 VAL 92 3HG1 VAL 92 2.870 -6.098 0.929 662 HG21 VAL 92 1HG2 VAL 92 4.856 -4.607 -0.130 663 HG22 VAL 92 2HG2 VAL 92 3.969 -4.176 1.332 664 HG23 VAL 92 3HG2 VAL 92 5.730 -4.086 1.311 665 H ARG 93 H ARG 93 3.684 -7.390 4.440 666 HA ARG 93 HA ARG 93 5.345 -9.794 4.589 667 HB2 ARG 93 1HB ARG 93 3.152 -8.649 6.270 668 HB3 ARG 93 2HB ARG 93 3.457 -10.380 6.329 669 HG2 ARG 93 1HG ARG 93 5.736 -9.995 7.029 670 HG3 ARG 93 2HG ARG 93 5.515 -8.251 6.871 671 HD2 ARG 93 1HD ARG 93 5.277 -8.691 9.165 672 HD3 ARG 93 2HD ARG 93 3.632 -8.496 8.563 673 HE ARG 93 HE ARG 93 4.270 -11.209 8.449 674 HH11 ARG 93 2HH1 ARG 93 3.793 -8.717 10.833 675 HH12 ARG 93 1HH1 ARG 93 3.240 -9.811 12.057 676 HH21 ARG 93 2HH2 ARG 93 3.543 -12.660 10.052 677 HH22 ARG 93 1HH2 ARG 93 3.099 -12.054 11.612 678 H ALA 94 H ALA 94 4.963 -11.232 3.035 679 HA ALA 94 HA ALA 94 2.738 -11.422 1.408 680 HB1 ALA 94 1HB ALA 94 4.195 -12.791 0.436 681 HB2 ALA 94 2HB ALA 94 5.087 -13.016 1.941 682 HB3 ALA 94 3HB ALA 94 3.687 -14.029 1.585 683 H LEU 95 H LEU 95 1.164 -13.236 1.277 684 HA LEU 95 HA LEU 95 -0.421 -13.347 3.601 685 HB2 LEU 95 1HB LEU 95 -0.468 -14.872 1.015 686 HB3 LEU 95 2HB LEU 95 -1.636 -15.180 2.299 687 HG LEU 95 HG LEU 95 -1.353 -12.786 0.528 688 HD11 LEU 95 1HD1 LEU 95 -3.893 -13.116 0.594 689 HD12 LEU 95 2HD1 LEU 95 -3.535 -14.679 1.327 690 HD13 LEU 95 3HD1 LEU 95 -2.927 -14.302 -0.284 691 HD21 LEU 95 1HD2 LEU 95 -1.364 -11.718 2.625 692 HD22 LEU 95 2HD2 LEU 95 -2.527 -12.863 3.295 693 HD23 LEU 95 3HD2 LEU 95 -3.041 -11.692 2.079 694 HA PRO 96 HA PRO 96 1.122 -16.773 5.869 695 HB2 PRO 96 1HB PRO 96 -1.168 -17.847 6.855 696 HB3 PRO 96 2HB PRO 96 -0.495 -16.319 7.437 697 HG2 PRO 96 1HG PRO 96 -2.710 -16.790 5.479 698 HG3 PRO 96 2HG PRO 96 -2.617 -15.612 6.801 699 HD2 PRO 96 1HD PRO 96 -2.153 -14.943 4.218 700 HD3 PRO 96 2HD PRO 96 -1.326 -14.148 5.574 701 H ALA 97 H ALA 97 1.817 -18.747 5.333 702 HA ALA 97 HA ALA 97 1.207 -20.076 3.015 703 HB1 ALA 97 1HB ALA 97 2.675 -21.649 3.700 704 HB2 ALA 97 2HB ALA 97 3.008 -20.470 4.970 705 HB3 ALA 97 3HB ALA 97 1.919 -21.821 5.284 706 H ARG 98 H ARG 98 -0.341 -21.425 2.313 707 HA ARG 98 HA ARG 98 -2.844 -21.585 3.284 708 HB2 ARG 98 1HB ARG 98 -1.224 -23.487 1.654 709 HB3 ARG 98 2HB ARG 98 -2.802 -24.017 2.223 710 HG2 ARG 98 1HG ARG 98 -2.595 -21.376 0.874 711 HG3 ARG 98 2HG ARG 98 -2.509 -22.842 -0.106 712 HD2 ARG 98 1HD ARG 98 -4.680 -22.606 1.916 713 HD3 ARG 98 2HD ARG 98 -4.813 -21.667 0.429 714 HE ARG 98 HE ARG 98 -5.273 -24.439 0.709 715 HH11 ARG 98 2HH1 ARG 98 -3.846 -22.119 -1.460 716 HH12 ARG 98 1HH1 ARG 98 -4.119 -23.081 -2.875 717 HH21 ARG 98 2HH2 ARG 98 -5.637 -25.714 -1.147 718 HH22 ARG 98 1HH2 ARG 98 -5.138 -25.125 -2.696 719 H PHE 99 H PHE 99 -0.108 -23.479 4.380 720 HA PHE 99 HA PHE 99 -1.810 -24.976 6.229 721 HB2 PHE 99 1HB PHE 99 0.129 -25.964 4.766 722 HB3 PHE 99 2HB PHE 99 1.159 -25.336 6.048 723 HD1 PHE 99 2HD PHE 99 -0.102 -25.875 8.491 724 HD2 PHE 99 1HD PHE 99 -0.171 -28.222 4.941 725 HE1 PHE 99 2HE PHE 99 -0.546 -27.888 9.835 726 HE2 PHE 99 1HE PHE 99 -0.616 -30.239 6.279 727 HZ PHE 99 HZ PHE 99 -0.804 -30.073 8.729 728 H THR 100 H THR 100 -2.274 -23.868 8.022 729 HA THR 100 HA THR 100 -0.064 -22.488 9.404 730 HB THR 100 HB THR 100 -1.782 -21.006 10.421 731 HG1 THR 100 1HG THR 100 -3.445 -22.622 8.849 732 HG21 THR 100 1HG2 THR 100 -0.490 -20.507 8.259 733 HG22 THR 100 2HG2 THR 100 -1.920 -19.533 8.600 734 HG23 THR 100 3HG2 THR 100 -2.007 -20.849 7.429 735 H GLU 101 H GLU 101 -0.404 -22.310 11.795 736 HA GLU 101 HA GLU 101 -0.572 -23.334 13.820 737 HB2 GLU 101 1HB GLU 101 -2.988 -22.896 13.360 738 HB3 GLU 101 2HB GLU 101 -3.111 -24.515 12.686 739 HG2 GLU 101 1HG GLU 101 -2.890 -25.536 14.738 740 HG3 GLU 101 2HG GLU 101 -2.079 -24.146 15.458 741 H GLY 102 H GLY 102 1.078 -24.631 12.013 742 HA2 GLY 102 1HA GLY 102 0.860 -27.198 11.322 743 HA3 GLY 102 2HA GLY 102 2.303 -26.608 12.135 744 H SER 103 H SER 103 1.942 -26.420 14.631 745 HA SER 103 HA SER 103 1.143 -29.079 15.496 746 HB2 SER 103 1HB SER 103 3.327 -27.952 16.177 747 HB3 SER 103 2HB SER 103 2.352 -26.910 17.214 748 HG SER 103 HG SER 103 1.976 -29.672 17.397 749 H GLY 104 H GLY 104 -0.211 -29.429 17.353 750 HA2 GLY 104 1HA GLY 104 -2.073 -27.206 17.906 751 HA3 GLY 104 2HA GLY 104 -2.671 -28.813 17.519 752 HA PRO 105 HA PRO 105 -1.949 -28.214 22.167 753 HB2 PRO 105 1HB PRO 105 -4.553 -28.175 22.933 754 HB3 PRO 105 2HB PRO 105 -3.652 -26.712 22.516 755 HG2 PRO 105 1HG PRO 105 -5.568 -28.297 20.848 756 HG3 PRO 105 2HG PRO 105 -5.423 -26.538 21.019 757 HD2 PRO 105 1HD PRO 105 -4.404 -27.885 18.902 758 HD3 PRO 105 2HD PRO 105 -3.650 -26.415 19.552 759 H SER 106 H SER 106 -2.663 -29.738 23.871 760 HA SER 106 HA SER 106 -3.373 -32.349 22.704 761 HB2 SER 106 1HB SER 106 -1.044 -31.959 23.783 762 HB3 SER 106 2HB SER 106 -1.914 -32.028 25.315 763 HG SER 106 HG SER 106 -1.837 -34.107 25.115 764 H SER 107 H SER 107 -3.755 -30.281 25.556 765 HA SER 107 HA SER 107 -5.206 -30.447 27.342 766 HB2 SER 107 1HB SER 107 -7.477 -30.056 26.667 767 HB3 SER 107 2HB SER 107 -6.435 -29.275 25.477 768 HG SER 107 HG SER 107 -6.725 -31.169 24.166 769 H GLY 108 H GLY 108 -4.014 -32.927 26.937 770 HA2 GLY 108 1HA GLY 108 -4.377 -34.981 28.007 771 HA3 GLY 108 2HA GLY 108 -6.104 -34.657 27.993
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