NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
2417 | 1bvm | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 84.923 -6.054 -7.968 2 2H ALA 1 2H ALA 1 86.157 -7.215 -8.043 3 3H ALA 1 3H ALA 1 84.536 -7.687 -8.237 4 HA ALA 1 HA ALA 1 84.060 -7.545 -6.008 5 1HB ALA 1 1HB ALA 1 87.026 -8.120 -6.305 6 2HB ALA 1 2HB ALA 1 86.065 -8.558 -4.893 7 3HB ALA 1 3HB ALA 1 85.714 -9.288 -6.460 8 H LEU 2 H LEU 2 84.493 -6.554 -3.882 9 HA LEU 2 HA LEU 2 86.467 -4.473 -3.522 10 1HB LEU 2 1HB LEU 2 84.216 -3.850 -5.107 11 2HB LEU 2 2HB LEU 2 83.926 -3.080 -3.548 12 HG LEU 2 HG LEU 2 86.627 -2.839 -4.844 13 1HD1 LEU 2 1HD1 LEU 2 84.970 -2.189 -6.567 14 2HD1 LEU 2 2HD1 LEU 2 84.219 -1.083 -5.417 15 3HD1 LEU 2 3HD1 LEU 2 85.866 -0.789 -5.976 16 1HD2 LEU 2 1HD2 LEU 2 85.083 -1.607 -2.648 17 2HD2 LEU 2 2HD2 LEU 2 86.829 -1.760 -2.846 18 3HD2 LEU 2 3HD2 LEU 2 85.961 -0.457 -3.656 19 H TRP 3 H TRP 3 83.156 -5.501 -2.648 20 HA TRP 3 HA TRP 3 82.819 -4.462 -0.115 21 1HB TRP 3 1HB TRP 3 81.487 -6.472 0.313 22 2HB TRP 3 2HB TRP 3 81.302 -5.999 -1.376 23 HD1 TRP 3 HD1 TRP 3 82.457 -7.505 -3.225 24 HE1 TRP 3 HE1 TRP 3 83.350 -9.924 -3.171 25 HE3 TRP 3 HE3 TRP 3 82.653 -8.267 1.822 26 HZ2 TRP 3 HZ2 TRP 3 84.052 -11.915 -1.249 27 HZ3 TRP 3 HZ3 TRP 3 83.439 -10.434 2.735 28 HH2 TRP 3 HH2 TRP 3 84.137 -12.256 1.205 29 H GLN 4 H GLN 4 85.158 -6.897 -1.085 30 HA GLN 4 HA GLN 4 85.816 -7.989 1.465 31 1HB GLN 4 1HB GLN 4 87.498 -7.443 -1.004 32 2HB GLN 4 2HB GLN 4 87.951 -8.542 0.300 33 1HG GLN 4 1HG GLN 4 85.486 -9.497 -0.234 34 2HG GLN 4 2HG GLN 4 85.906 -8.878 -1.832 35 1HE2 GLN 4 2HE2 GLN 4 86.412 -11.487 0.370 36 2HE2 GLN 4 1HE2 GLN 4 87.639 -12.273 -0.501 37 H PHE 5 H PHE 5 86.937 -5.053 -0.203 38 HA PHE 5 HA PHE 5 89.055 -4.317 1.530 39 1HB PHE 5 1HB PHE 5 88.320 -3.302 -0.679 40 2HB PHE 5 2HB PHE 5 87.036 -2.480 0.209 41 HD1 PHE 5 HD1 PHE 5 90.551 -3.204 1.247 42 HD2 PHE 5 HD2 PHE 5 87.656 -0.202 0.216 43 HE1 PHE 5 HE1 PHE 5 92.150 -1.432 1.918 44 HE2 PHE 5 HE2 PHE 5 89.256 1.570 0.887 45 HZ PHE 5 HZ PHE 5 91.504 0.955 1.737 46 H ASN 6 H ASN 6 85.656 -3.169 1.651 47 HA ASN 6 HA ASN 6 85.680 -1.708 4.009 48 1HB ASN 6 1HB ASN 6 83.805 -2.437 2.307 49 2HB ASN 6 2HB ASN 6 83.507 -3.721 3.478 50 1HD2 ASN 6 2HD2 ASN 6 81.578 -1.641 2.985 51 2HD2 ASN 6 1HD2 ASN 6 81.446 -0.702 4.392 52 H GLY 7 H GLY 7 85.586 -5.249 3.668 53 1HA GLY 7 1HA GLY 7 85.189 -5.893 6.413 54 2HA GLY 7 2HA GLY 7 85.988 -6.944 5.241 55 H MET 8 H MET 8 88.189 -5.347 4.555 56 HA MET 8 HA MET 8 90.049 -5.919 6.630 57 1HB MET 8 1HB MET 8 90.037 -4.034 4.259 58 2HB MET 8 2HB MET 8 91.473 -4.298 5.247 59 1HG MET 8 1HG MET 8 90.318 -6.843 4.575 60 2HG MET 8 2HG MET 8 90.532 -5.899 3.100 61 1HE MET 8 1HE MET 8 91.734 -8.567 4.270 62 2HE MET 8 2HE MET 8 92.384 -8.200 2.674 63 3HE MET 8 3HE MET 8 93.477 -8.581 4.012 64 H ILE 9 H ILE 9 88.390 -2.876 5.770 65 HA ILE 9 HA ILE 9 89.654 -1.315 7.867 66 HB ILE 9 HB ILE 9 87.038 -0.853 6.397 67 1HG1 ILE 9 1HG1 ILE 9 89.915 -0.436 5.549 68 2HG1 ILE 9 2HG1 ILE 9 88.655 -1.331 4.700 69 1HG2 ILE 9 1HG2 ILE 9 88.251 0.607 8.401 70 2HG2 ILE 9 2HG2 ILE 9 88.866 1.385 6.943 71 3HG2 ILE 9 3HG2 ILE 9 87.127 1.263 7.210 72 1HD1 ILE 9 1HD1 ILE 9 87.380 0.861 4.515 73 2HD1 ILE 9 2HD1 ILE 9 88.840 1.664 5.093 74 3HD1 ILE 9 3HD1 ILE 9 88.867 0.774 3.571 75 H LYS 10 H LYS 10 86.828 -3.374 7.635 76 HA LYS 10 HA LYS 10 85.471 -2.435 10.011 77 1HB LYS 10 1HB LYS 10 85.397 -4.764 8.136 78 2HB LYS 10 2HB LYS 10 84.579 -4.944 9.688 79 1HG LYS 10 1HG LYS 10 83.972 -2.359 8.551 80 2HG LYS 10 2HG LYS 10 83.596 -3.634 7.390 81 1HD LYS 10 1HD LYS 10 82.763 -4.408 10.055 82 2HD LYS 10 2HD LYS 10 82.040 -2.865 9.602 83 1HE LYS 10 1HE LYS 10 80.493 -4.324 8.648 84 2HE LYS 10 2HE LYS 10 81.629 -4.171 7.292 85 1HZ LYS 10 1HZ LYS 10 82.213 -6.127 9.397 86 2HZ LYS 10 2HZ LYS 10 81.019 -6.518 8.258 87 3HZ LYS 10 3HZ LYS 10 82.601 -6.173 7.744 88 H CYS 11 H CYS 11 87.840 -5.014 9.360 89 HA CYS 11 HA CYS 11 87.804 -6.192 11.954 90 1HB CYS 11 1HB CYS 11 88.725 -7.096 9.773 91 2HB CYS 11 2HB CYS 11 90.095 -6.007 9.984 92 H LYS 12 H LYS 12 90.003 -3.785 10.489 93 HA LYS 12 HA LYS 12 91.595 -3.354 12.841 94 1HB LYS 12 1HB LYS 12 90.963 -1.738 10.358 95 2HB LYS 12 2HB LYS 12 92.147 -1.211 11.555 96 1HG LYS 12 1HG LYS 12 92.410 -4.014 10.616 97 2HG LYS 12 2HG LYS 12 92.792 -2.762 9.433 98 1HD LYS 12 1HD LYS 12 94.793 -3.421 10.741 99 2HD LYS 12 2HD LYS 12 94.369 -1.729 11.005 100 1HE LYS 12 1HE LYS 12 93.234 -2.316 13.111 101 2HE LYS 12 2HE LYS 12 93.612 -4.030 12.845 102 1HZ LYS 12 1HZ LYS 12 95.876 -2.275 12.531 103 2HZ LYS 12 2HZ LYS 12 95.239 -2.266 14.104 104 3HZ LYS 12 3HZ LYS 12 95.743 -3.728 13.403 105 H ILE 13 H ILE 13 88.563 -1.938 11.698 106 HA ILE 13 HA ILE 13 88.361 -0.459 14.298 107 HB ILE 13 HB ILE 13 87.444 0.534 11.583 108 1HG1 ILE 13 1HG1 ILE 13 90.032 0.991 13.093 109 2HG1 ILE 13 2HG1 ILE 13 89.837 0.380 11.449 110 1HG2 ILE 13 1HG2 ILE 13 86.710 1.351 14.090 111 2HG2 ILE 13 2HG2 ILE 13 88.098 2.395 13.782 112 3HG2 ILE 13 3HG2 ILE 13 86.727 2.401 12.672 113 1HD1 ILE 13 1HD1 ILE 13 88.583 2.689 11.094 114 2HD1 ILE 13 2HD1 ILE 13 89.564 3.180 12.474 115 3HD1 ILE 13 3HD1 ILE 13 90.342 2.598 11.002 116 HA PRO 14 HA PRO 14 84.618 -3.015 13.657 117 1HB PRO 14 1HB PRO 14 84.441 -3.868 16.246 118 2HB PRO 14 2HB PRO 14 85.462 -4.670 15.037 119 1HG PRO 14 1HG PRO 14 86.221 -2.839 17.236 120 2HG PRO 14 2HG PRO 14 87.111 -4.196 16.535 121 1HD PRO 14 1HD PRO 14 87.588 -1.514 16.005 122 2HD PRO 14 2HD PRO 14 88.128 -2.875 14.999 123 H SER 15 H SER 15 85.489 -0.447 15.832 124 HA SER 15 HA SER 15 82.765 -0.025 16.857 125 1HB SER 15 1HB SER 15 83.829 1.722 18.113 126 2HB SER 15 2HB SER 15 84.989 0.398 18.043 127 HG SER 15 HG SER 15 86.242 1.562 16.789 128 H SER 16 H SER 16 84.219 0.589 13.914 129 HA SER 16 HA SER 16 82.152 2.555 13.190 130 1HB SER 16 1HB SER 16 84.546 3.456 14.241 131 2HB SER 16 2HB SER 16 84.841 3.530 12.506 132 HG SER 16 HG SER 16 83.736 5.316 12.640 133 H GLU 17 H GLU 17 81.845 2.622 10.925 134 HA GLU 17 HA GLU 17 83.513 0.695 9.346 135 1HB GLU 17 1HB GLU 17 80.617 1.576 9.234 136 2HB GLU 17 2HB GLU 17 81.368 0.640 7.943 137 1HG GLU 17 1HG GLU 17 81.226 -1.269 9.130 138 2HG GLU 17 2HG GLU 17 81.940 -0.510 10.553 139 HA PRO 18 HA PRO 18 84.717 4.042 6.763 140 1HB PRO 18 1HB PRO 18 85.075 2.723 4.392 141 2HB PRO 18 2HB PRO 18 86.197 2.573 5.759 142 1HG PRO 18 1HG PRO 18 84.041 0.723 4.869 143 2HG PRO 18 2HG PRO 18 85.656 0.355 5.497 144 1HD PRO 18 1HD PRO 18 83.386 0.177 6.996 145 2HD PRO 18 2HD PRO 18 84.988 0.528 7.681 146 H LEU 19 H LEU 19 82.403 1.813 5.167 147 HA LEU 19 HA LEU 19 81.304 3.691 3.328 148 1HB LEU 19 1HB LEU 19 80.656 1.061 4.517 149 2HB LEU 19 2HB LEU 19 79.262 1.953 3.907 150 HG LEU 19 HG LEU 19 80.411 0.441 2.213 151 1HD1 LEU 19 1HD1 LEU 19 78.974 2.513 1.719 152 2HD1 LEU 19 2HD1 LEU 19 80.495 3.359 1.432 153 3HD1 LEU 19 3HD1 LEU 19 80.052 1.976 0.431 154 1HD2 LEU 19 1HD2 LEU 19 82.729 0.934 2.928 155 2HD2 LEU 19 2HD2 LEU 19 82.496 1.310 1.221 156 3HD2 LEU 19 3HD2 LEU 19 82.527 2.609 2.414 157 H LEU 20 H LEU 20 80.990 3.461 6.750 158 HA LEU 20 HA LEU 20 78.590 5.262 6.694 159 1HB LEU 20 1HB LEU 20 79.606 3.493 8.938 160 2HB LEU 20 2HB LEU 20 78.030 4.279 8.830 161 HG LEU 20 HG LEU 20 79.029 2.194 6.868 162 1HD1 LEU 20 1HD1 LEU 20 78.261 1.756 9.493 163 2HD1 LEU 20 2HD1 LEU 20 76.761 1.511 8.598 164 3HD1 LEU 20 3HD1 LEU 20 78.193 0.562 8.196 165 1HD2 LEU 20 1HD2 LEU 20 77.290 3.928 6.144 166 2HD2 LEU 20 2HD2 LEU 20 76.807 2.240 5.985 167 3HD2 LEU 20 3HD2 LEU 20 76.213 3.203 7.338 168 H ASP 21 H ASP 21 81.587 5.895 6.546 169 HA ASP 21 HA ASP 21 81.548 8.158 8.380 170 1HB ASP 21 1HB ASP 21 82.378 5.667 9.375 171 2HB ASP 21 2HB ASP 21 83.875 6.547 9.061 172 H PHE 22 H PHE 22 84.094 6.044 7.004 173 HA PHE 22 HA PHE 22 85.555 8.353 5.945 174 1HB PHE 22 1HB PHE 22 85.983 5.411 5.373 175 2HB PHE 22 2HB PHE 22 87.191 6.694 5.395 176 HD1 PHE 22 HD1 PHE 22 86.110 8.089 7.928 177 HD2 PHE 22 HD2 PHE 22 87.024 3.988 7.029 178 HE1 PHE 22 HE1 PHE 22 86.532 7.655 10.333 179 HE2 PHE 22 HE2 PHE 22 87.446 3.555 9.434 180 HZ PHE 22 HZ PHE 22 87.200 5.389 11.086 181 H ASN 23 H ASN 23 82.775 7.007 4.917 182 HA ASN 23 HA ASN 23 83.181 6.316 2.179 183 1HB ASN 23 1HB ASN 23 80.773 6.609 2.051 184 2HB ASN 23 2HB ASN 23 81.158 5.939 3.637 185 1HD2 ASN 23 2HD2 ASN 23 81.032 7.402 5.511 186 2HD2 ASN 23 1HD2 ASN 23 80.176 8.865 5.415 187 H ASN 24 H ASN 24 83.209 7.573 0.311 188 HA ASN 24 HA ASN 24 83.886 9.500 -0.897 189 1HB ASN 24 1HB ASN 24 81.471 10.691 0.443 190 2HB ASN 24 2HB ASN 24 81.948 10.746 -1.250 191 1HD2 ASN 24 2HD2 ASN 24 82.506 7.883 -1.517 192 2HD2 ASN 24 1HD2 ASN 24 81.010 7.082 -1.457 193 H TYR 25 H TYR 25 85.769 9.845 0.710 194 HA TYR 25 HA TYR 25 85.439 12.541 1.971 195 1HB TYR 25 1HB TYR 25 85.348 11.173 3.860 196 2HB TYR 25 2HB TYR 25 86.351 9.925 3.126 197 HD1 TYR 25 HD1 TYR 25 86.372 13.210 4.831 198 HD2 TYR 25 HD2 TYR 25 88.767 10.041 3.197 199 HE1 TYR 25 HE1 TYR 25 88.375 14.138 5.963 200 HE2 TYR 25 HE2 TYR 25 90.769 10.968 4.328 201 HH TYR 25 HH TYR 25 90.742 14.087 5.846 202 H GLY 26 H GLY 26 87.523 13.719 2.094 203 1HA GLY 26 1HA GLY 26 89.520 14.435 1.070 204 2HA GLY 26 2HA GLY 26 90.011 12.745 1.201 205 H CYS 27 H CYS 27 91.077 13.390 -0.934 206 HA CYS 27 HA CYS 27 89.133 13.275 -3.205 207 1HB CYS 27 1HB CYS 27 91.557 14.715 -2.595 208 2HB CYS 27 2HB CYS 27 91.782 13.785 -4.077 209 H TYR 28 H TYR 28 90.940 11.176 -1.393 210 HA TYR 28 HA TYR 28 91.517 9.427 -3.762 211 1HB TYR 28 1HB TYR 28 92.918 9.834 -1.108 212 2HB TYR 28 2HB TYR 28 93.272 8.465 -2.163 213 HD1 TYR 28 HD1 TYR 28 93.966 8.944 -4.584 214 HD2 TYR 28 HD2 TYR 28 93.870 11.958 -1.524 215 HE1 TYR 28 HE1 TYR 28 95.445 10.385 -5.956 216 HE2 TYR 28 HE2 TYR 28 95.352 13.398 -2.896 217 HH TYR 28 HH TYR 28 96.768 13.396 -4.692 218 H CYS 29 H CYS 29 90.191 9.619 -0.483 219 HA CYS 29 HA CYS 29 89.689 6.792 -0.157 220 1HB CYS 29 1HB CYS 29 88.356 9.238 1.044 221 2HB CYS 29 2HB CYS 29 88.244 7.601 1.683 222 H GLY 30 H GLY 30 87.533 5.774 -0.234 223 1HA GLY 30 1HA GLY 30 85.212 5.760 -0.958 224 2HA GLY 30 2HA GLY 30 85.556 7.162 -1.972 225 H LEU 31 H LEU 31 85.648 6.688 -4.105 226 HA LEU 31 HA LEU 31 86.813 4.057 -4.934 227 1HB LEU 31 1HB LEU 31 84.119 5.259 -5.421 228 2HB LEU 31 2HB LEU 31 84.849 4.335 -6.735 229 HG LEU 31 HG LEU 31 84.990 3.097 -4.039 230 1HD1 LEU 31 1HD1 LEU 31 82.428 3.719 -5.467 231 2HD1 LEU 31 2HD1 LEU 31 82.585 2.168 -4.643 232 3HD1 LEU 31 3HD1 LEU 31 82.758 3.669 -3.736 233 1HD2 LEU 31 1HD2 LEU 31 85.844 2.015 -6.105 234 2HD2 LEU 31 2HD2 LEU 31 84.542 1.078 -5.373 235 3HD2 LEU 31 3HD2 LEU 31 84.221 2.074 -6.793 236 H GLY 32 H GLY 32 85.872 7.362 -5.865 237 1HA GLY 32 1HA GLY 32 87.964 7.245 -8.004 238 2HA GLY 32 2HA GLY 32 86.476 8.177 -8.177 239 H GLY 33 H GLY 33 86.959 10.312 -8.010 240 1HA GLY 33 1HA GLY 33 87.685 12.309 -6.993 241 2HA GLY 33 2HA GLY 33 88.155 11.359 -5.584 242 H SER 34 H SER 34 89.797 13.423 -6.541 243 HA SER 34 HA SER 34 92.330 12.120 -6.764 244 1HB SER 34 1HB SER 34 92.017 11.432 -8.931 245 2HB SER 34 2HB SER 34 90.770 12.637 -9.236 246 HG SER 34 HG SER 34 93.493 12.748 -9.617 247 H GLY 35 H GLY 35 94.014 13.664 -6.612 248 1HA GLY 35 1HA GLY 35 94.680 16.051 -7.225 249 2HA GLY 35 2HA GLY 35 93.111 16.515 -6.565 250 H THR 36 H THR 36 95.109 17.782 -5.377 251 HA THR 36 HA THR 36 96.675 16.721 -3.360 252 HB THR 36 HB THR 36 94.957 19.198 -3.549 253 HG1 THR 36 HG1 THR 36 96.708 19.964 -4.410 254 1HG2 THR 36 1HG2 THR 36 96.829 18.380 -1.318 255 2HG2 THR 36 2HG2 THR 36 96.354 20.053 -1.610 256 3HG2 THR 36 3HG2 THR 36 95.135 18.852 -1.183 257 HA PRO 37 HA PRO 37 93.819 14.673 -0.679 258 1HB PRO 37 1HB PRO 37 95.484 14.397 1.479 259 2HB PRO 37 2HB PRO 37 95.612 13.391 0.022 260 1HG PRO 37 1HG PRO 37 97.220 15.764 0.832 261 2HG PRO 37 2HG PRO 37 97.739 14.262 0.050 262 1HD PRO 37 1HD PRO 37 97.382 16.594 -1.302 263 2HD PRO 37 2HD PRO 37 97.159 14.994 -2.044 264 H VAL 38 H VAL 38 93.237 14.982 1.844 265 HA VAL 38 HA VAL 38 93.076 17.937 2.354 266 HB VAL 38 HB VAL 38 90.846 17.263 3.419 267 1HG1 VAL 38 1HG1 VAL 38 91.606 17.523 0.628 268 2HG1 VAL 38 2HG1 VAL 38 90.169 16.514 0.798 269 3HG1 VAL 38 3HG1 VAL 38 90.180 18.150 1.456 270 1HG2 VAL 38 1HG2 VAL 38 91.522 14.817 3.554 271 2HG2 VAL 38 2HG2 VAL 38 89.929 15.108 2.855 272 3HG2 VAL 38 3HG2 VAL 38 91.298 14.736 1.806 273 H ASP 39 H ASP 39 93.846 14.795 3.624 274 HA ASP 39 HA ASP 39 94.911 15.988 6.082 275 1HB ASP 39 1HB ASP 39 92.253 15.427 6.083 276 2HB ASP 39 2HB ASP 39 92.896 13.874 6.616 277 H ASP 40 H ASP 40 95.378 13.857 7.629 278 HA ASP 40 HA ASP 40 97.319 12.297 6.169 279 1HB ASP 40 1HB ASP 40 96.242 12.588 8.912 280 2HB ASP 40 2HB ASP 40 96.914 10.998 8.548 281 H LEU 41 H LEU 41 93.974 11.707 7.201 282 HA LEU 41 HA LEU 41 93.920 8.881 6.712 283 1HB LEU 41 1HB LEU 41 92.244 10.432 7.913 284 2HB LEU 41 2HB LEU 41 91.635 10.824 6.304 285 HG LEU 41 HG LEU 41 91.275 8.388 5.888 286 1HD1 LEU 41 1HD1 LEU 41 92.071 8.187 8.806 287 2HD1 LEU 41 2HD1 LEU 41 91.347 6.879 7.870 288 3HD1 LEU 41 3HD1 LEU 41 92.939 7.496 7.436 289 1HD2 LEU 41 1HD2 LEU 41 89.479 9.893 6.819 290 2HD2 LEU 41 2HD2 LEU 41 89.286 8.195 7.257 291 3HD2 LEU 41 3HD2 LEU 41 89.930 9.342 8.433 292 H ASP 42 H ASP 42 93.009 11.654 4.644 293 HA ASP 42 HA ASP 42 92.255 10.233 2.324 294 1HB ASP 42 1HB ASP 42 92.149 12.736 2.915 295 2HB ASP 42 2HB ASP 42 93.829 12.819 2.384 296 H ARG 43 H ARG 43 95.458 11.176 3.517 297 HA ARG 43 HA ARG 43 97.030 10.520 1.247 298 1HB ARG 43 1HB ARG 43 97.405 10.592 4.229 299 2HB ARG 43 2HB ARG 43 98.714 9.997 3.210 300 1HG ARG 43 1HG ARG 43 97.538 12.449 2.157 301 2HG ARG 43 2HG ARG 43 98.178 12.666 3.787 302 1HD ARG 43 1HD ARG 43 99.837 13.026 1.863 303 2HD ARG 43 2HD ARG 43 100.361 11.899 3.119 304 HE ARG 43 HE ARG 43 98.948 10.379 1.250 305 1HH1 ARG 43 2HH1 ARG 43 100.981 12.811 0.268 306 2HH1 ARG 43 1HH1 ARG 43 102.142 11.788 -0.510 307 1HH2 ARG 43 1HH2 ARG 43 100.766 8.849 0.710 308 2HH2 ARG 43 2HH2 ARG 43 102.020 9.546 -0.259 309 H CYS 44 H CYS 44 95.723 8.485 3.843 310 HA CYS 44 HA CYS 44 97.119 6.096 3.234 311 1HB CYS 44 1HB CYS 44 94.313 6.501 4.313 312 2HB CYS 44 2HB CYS 44 95.308 5.063 4.539 313 H CYS 45 H CYS 45 93.937 7.285 2.123 314 HA CYS 45 HA CYS 45 93.316 5.056 0.426 315 1HB CYS 45 1HB CYS 45 92.565 7.987 0.151 316 2HB CYS 45 2HB CYS 45 91.677 6.618 -0.516 317 H GLN 46 H GLN 46 94.850 8.205 -0.262 318 HA GLN 46 HA GLN 46 95.282 7.982 -3.025 319 1HB GLN 46 1HB GLN 46 95.765 9.954 -1.631 320 2HB GLN 46 2HB GLN 46 97.067 9.081 -0.825 321 1HG GLN 46 1HG GLN 46 98.362 8.976 -2.846 322 2HG GLN 46 2HG GLN 46 97.011 9.566 -3.812 323 1HE2 GLN 46 2HE2 GLN 46 99.266 11.046 -4.084 324 2HE2 GLN 46 1HE2 GLN 46 99.158 12.498 -3.221 325 H THR 47 H THR 47 97.011 6.476 -0.343 326 HA THR 47 HA THR 47 99.141 5.391 -1.981 327 HB THR 47 HB THR 47 98.154 4.785 0.818 328 HG1 THR 47 HG1 THR 47 100.436 6.258 0.081 329 1HG2 THR 47 1HG2 THR 47 100.680 4.010 -0.657 330 2HG2 THR 47 2HG2 THR 47 100.518 3.922 1.097 331 3HG2 THR 47 3HG2 THR 47 99.486 2.932 0.066 332 H HIS 48 H HIS 48 96.018 4.271 -0.774 333 HA HIS 48 HA HIS 48 96.242 1.483 -1.218 334 1HB HIS 48 1HB HIS 48 94.362 2.869 -0.175 335 2HB HIS 48 2HB HIS 48 93.836 3.230 -1.818 336 HD1 HIS 48 HD1 HIS 48 91.855 1.779 -2.257 337 HD2 HIS 48 HD2 HIS 48 94.885 -0.311 -0.299 338 HE1 HIS 48 HE1 HIS 48 91.075 -0.625 -2.091 339 H ASP 49 H ASP 49 95.338 4.105 -3.432 340 HA ASP 49 HA ASP 49 94.896 2.488 -5.741 341 1HB ASP 49 1HB ASP 49 95.409 5.351 -5.062 342 2HB ASP 49 2HB ASP 49 95.568 4.878 -6.752 343 H ASN 50 H ASN 50 97.738 4.276 -4.554 344 HA ASN 50 HA ASN 50 99.538 3.762 -6.658 345 1HB ASN 50 1HB ASN 50 99.708 4.284 -3.704 346 2HB ASN 50 2HB ASN 50 101.184 3.946 -4.606 347 1HD2 ASN 50 2HD2 ASN 50 99.482 6.514 -3.499 348 2HD2 ASN 50 1HD2 ASN 50 99.800 7.645 -4.725 349 H CYS 51 H CYS 51 98.417 1.694 -4.049 350 HA CYS 51 HA CYS 51 100.523 -0.300 -4.299 351 1HB CYS 51 1HB CYS 51 98.884 0.281 -2.355 352 2HB CYS 51 2HB CYS 51 97.740 -0.743 -3.221 353 H TYR 52 H TYR 52 97.199 0.040 -5.555 354 HA TYR 52 HA TYR 52 97.004 -2.519 -6.817 355 1HB TYR 52 1HB TYR 52 95.731 0.180 -7.019 356 2HB TYR 52 2HB TYR 52 95.424 -0.962 -8.328 357 HD1 TYR 52 HD1 TYR 52 95.636 -1.012 -4.574 358 HD2 TYR 52 HD2 TYR 52 93.551 -2.317 -8.095 359 HE1 TYR 52 HE1 TYR 52 93.982 -2.196 -3.155 360 HE2 TYR 52 HE2 TYR 52 91.896 -3.500 -6.677 361 HH TYR 52 HH TYR 52 91.408 -4.176 -4.598 362 H LYS 53 H LYS 53 98.613 0.456 -7.740 363 HA LYS 53 HA LYS 53 98.965 -0.210 -10.558 364 1HB LYS 53 1HB LYS 53 100.796 1.572 -8.954 365 2HB LYS 53 2HB LYS 53 100.219 1.789 -10.604 366 1HG LYS 53 1HG LYS 53 97.973 1.739 -8.815 367 2HG LYS 53 2HG LYS 53 99.149 2.909 -8.238 368 1HD LYS 53 1HD LYS 53 99.074 3.266 -11.020 369 2HD LYS 53 2HD LYS 53 97.389 3.072 -10.537 370 1HE LYS 53 1HE LYS 53 97.401 5.207 -9.783 371 2HE LYS 53 2HE LYS 53 98.637 4.752 -8.593 372 1HZ LYS 53 1HZ LYS 53 99.161 5.448 -11.435 373 2HZ LYS 53 2HZ LYS 53 99.459 6.466 -10.107 374 3HZ LYS 53 3HZ LYS 53 100.331 5.019 -10.286 375 H GLN 54 H GLN 54 101.121 -0.125 -7.753 376 HA GLN 54 HA GLN 54 103.430 -1.283 -8.815 377 1HB GLN 54 1HB GLN 54 102.026 -1.345 -6.159 378 2HB GLN 54 2HB GLN 54 103.494 -2.299 -6.371 379 1HG GLN 54 1HG GLN 54 104.487 -0.085 -7.352 380 2HG GLN 54 2HG GLN 54 103.151 0.688 -6.497 381 1HE2 GLN 54 2HE2 GLN 54 104.712 1.680 -4.971 382 2HE2 GLN 54 1HE2 GLN 54 105.429 0.744 -3.750 383 H ALA 55 H ALA 55 100.414 -2.795 -7.820 384 HA ALA 55 HA ALA 55 101.225 -5.541 -7.939 385 1HB ALA 55 1HB ALA 55 99.011 -4.125 -7.222 386 2HB ALA 55 2HB ALA 55 98.475 -4.791 -8.765 387 3HB ALA 55 3HB ALA 55 99.002 -5.870 -7.474 388 H LYS 56 H LYS 56 99.894 -3.338 -10.412 389 HA LYS 56 HA LYS 56 99.620 -5.271 -12.508 390 1HB LYS 56 1HB LYS 56 100.068 -2.280 -12.390 391 2HB LYS 56 2HB LYS 56 99.798 -3.126 -13.914 392 1HG LYS 56 1HG LYS 56 97.762 -4.144 -12.435 393 2HG LYS 56 2HG LYS 56 97.897 -2.539 -11.717 394 1HD LYS 56 1HD LYS 56 97.958 -2.734 -14.696 395 2HD LYS 56 2HD LYS 56 96.407 -2.968 -13.890 396 1HE LYS 56 1HE LYS 56 97.765 -0.705 -12.710 397 2HE LYS 56 2HE LYS 56 97.650 -0.494 -14.469 398 1HZ LYS 56 1HZ LYS 56 95.327 -1.631 -13.130 399 2HZ LYS 56 2HZ LYS 56 95.622 0.016 -12.840 400 3HZ LYS 56 3HZ LYS 56 95.402 -0.538 -14.429 401 H LYS 57 H LYS 57 102.334 -3.132 -11.612 402 HA LYS 57 HA LYS 57 104.058 -3.767 -13.767 403 1HB LYS 57 1HB LYS 57 104.280 -2.692 -10.988 404 2HB LYS 57 2HB LYS 57 105.770 -3.130 -11.825 405 1HG LYS 57 1HG LYS 57 105.585 -1.420 -13.327 406 2HG LYS 57 2HG LYS 57 103.829 -1.556 -13.419 407 1HD LYS 57 1HD LYS 57 104.145 0.501 -12.320 408 2HD LYS 57 2HD LYS 57 103.856 -0.622 -10.991 409 1HE LYS 57 1HE LYS 57 106.121 -0.661 -10.358 410 2HE LYS 57 2HE LYS 57 106.670 -0.091 -11.947 411 1HZ LYS 57 1HZ LYS 57 104.928 1.502 -10.147 412 2HZ LYS 57 2HZ LYS 57 106.619 1.662 -10.184 413 3HZ LYS 57 3HZ LYS 57 105.704 2.028 -11.565 414 H LEU 58 H LEU 58 103.425 -5.444 -10.719 415 HA LEU 58 HA LEU 58 105.628 -7.141 -10.507 416 1HB LEU 58 1HB LEU 58 102.777 -7.125 -9.756 417 2HB LEU 58 2HB LEU 58 103.503 -8.730 -9.805 418 HG LEU 58 HG LEU 58 105.026 -6.533 -8.464 419 1HD1 LEU 58 1HD1 LEU 58 102.479 -7.787 -7.485 420 2HD1 LEU 58 2HD1 LEU 58 103.752 -7.402 -6.326 421 3HD1 LEU 58 3HD1 LEU 58 103.040 -6.124 -7.311 422 1HD2 LEU 58 1HD2 LEU 58 104.634 -9.507 -8.000 423 2HD2 LEU 58 2HD2 LEU 58 106.055 -8.730 -8.698 424 3HD2 LEU 58 3HD2 LEU 58 105.654 -8.473 -7.000 425 H ASP 59 H ASP 59 106.329 -8.963 -11.626 426 HA ASP 59 HA ASP 59 105.558 -9.486 -14.290 427 1HB ASP 59 1HB ASP 59 107.584 -10.222 -12.791 428 2HB ASP 59 2HB ASP 59 106.581 -11.630 -12.440 429 H SER 60 H SER 60 104.842 -11.637 -11.508 430 HA SER 60 HA SER 60 103.061 -13.404 -12.622 431 1HB SER 60 1HB SER 60 103.292 -12.026 -9.977 432 2HB SER 60 2HB SER 60 101.873 -13.032 -10.259 433 HG SER 60 HG SER 60 104.425 -13.752 -9.750 434 H CYS 61 H CYS 61 102.150 -10.190 -11.318 435 HA CYS 61 HA CYS 61 99.389 -10.319 -12.076 436 1HB CYS 61 1HB CYS 61 101.250 -7.942 -11.750 437 2HB CYS 61 2HB CYS 61 99.490 -7.898 -11.642 438 H LYS 62 H LYS 62 102.297 -9.247 -13.794 439 HA LYS 62 HA LYS 62 101.086 -7.918 -15.992 440 1HB LYS 62 1HB LYS 62 103.622 -8.706 -15.117 441 2HB LYS 62 2HB LYS 62 103.429 -9.516 -16.672 442 1HG LYS 62 1HG LYS 62 103.144 -7.500 -17.836 443 2HG LYS 62 2HG LYS 62 102.698 -6.612 -16.379 444 1HD LYS 62 1HD LYS 62 105.186 -7.398 -15.675 445 2HD LYS 62 2HD LYS 62 105.393 -7.300 -17.425 446 1HE LYS 62 1HE LYS 62 103.993 -4.981 -16.889 447 2HE LYS 62 2HE LYS 62 105.051 -5.127 -15.470 448 1HZ LYS 62 1HZ LYS 62 106.723 -5.871 -17.383 449 2HZ LYS 62 2HZ LYS 62 105.756 -4.805 -18.281 450 3HZ LYS 62 3HZ LYS 62 106.562 -4.254 -16.890 451 H VAL 63 H VAL 63 101.567 -11.378 -15.370 452 HA VAL 63 HA VAL 63 100.206 -11.960 -17.982 453 HB VAL 63 HB VAL 63 102.582 -12.694 -17.700 454 1HG1 VAL 63 1HG1 VAL 63 101.700 -13.358 -15.127 455 2HG1 VAL 63 2HG1 VAL 63 101.964 -14.911 -15.919 456 3HG1 VAL 63 3HG1 VAL 63 103.276 -13.736 -15.823 457 1HG2 VAL 63 1HG2 VAL 63 100.277 -14.369 -18.344 458 2HG2 VAL 63 2HG2 VAL 63 101.818 -14.218 -19.188 459 3HG2 VAL 63 3HG2 VAL 63 101.664 -15.327 -17.825 460 H LEU 64 H LEU 64 98.406 -11.390 -16.059 461 HA LEU 64 HA LEU 64 97.486 -14.079 -15.094 462 1HB LEU 64 1HB LEU 64 97.754 -11.413 -13.773 463 2HB LEU 64 2HB LEU 64 96.366 -12.403 -13.320 464 HG LEU 64 HG LEU 64 99.197 -13.470 -13.349 465 1HD1 LEU 64 1HD1 LEU 64 98.089 -11.560 -11.568 466 2HD1 LEU 64 2HD1 LEU 64 98.110 -13.099 -10.708 467 3HD1 LEU 64 3HD1 LEU 64 99.602 -12.446 -11.384 468 1HD2 LEU 64 1HD2 LEU 64 96.928 -14.874 -13.373 469 2HD2 LEU 64 2HD2 LEU 64 98.299 -15.376 -12.384 470 3HD2 LEU 64 3HD2 LEU 64 96.957 -14.498 -11.650 471 H VAL 65 H VAL 65 95.983 -10.844 -15.137 472 HA VAL 65 HA VAL 65 94.129 -11.633 -17.239 473 HB VAL 65 HB VAL 65 93.386 -11.195 -14.359 474 1HG1 VAL 65 1HG1 VAL 65 91.757 -11.054 -16.864 475 2HG1 VAL 65 2HG1 VAL 65 91.022 -11.790 -15.439 476 3HG1 VAL 65 3HG1 VAL 65 91.599 -10.126 -15.372 477 1HG2 VAL 65 1HG2 VAL 65 93.239 -13.536 -16.261 478 2HG2 VAL 65 2HG2 VAL 65 93.993 -13.466 -14.668 479 3HG2 VAL 65 3HG2 VAL 65 92.235 -13.471 -14.812 480 H ASP 66 H ASP 66 96.086 -9.531 -16.430 481 HA ASP 66 HA ASP 66 96.268 -7.145 -16.341 482 1HB ASP 66 1HB ASP 66 94.777 -8.167 -18.695 483 2HB ASP 66 2HB ASP 66 94.707 -6.421 -18.451 484 H ASN 67 H ASN 67 94.512 -7.820 -14.338 485 HA ASN 67 HA ASN 67 92.834 -5.471 -14.132 486 1HB ASN 67 1HB ASN 67 91.613 -6.934 -15.790 487 2HB ASN 67 2HB ASN 67 91.442 -8.140 -14.514 488 1HD2 ASN 67 2HD2 ASN 67 90.495 -4.828 -15.453 489 2HD2 ASN 67 1HD2 ASN 67 89.185 -4.723 -14.378 490 HA PRO 68 HA PRO 68 93.814 -7.313 -10.115 491 1HB PRO 68 1HB PRO 68 94.044 -4.924 -8.809 492 2HB PRO 68 2HB PRO 68 95.357 -5.629 -9.772 493 1HG PRO 68 1HG PRO 68 93.506 -3.414 -10.434 494 2HG PRO 68 2HG PRO 68 95.191 -3.661 -10.909 495 1HD PRO 68 1HD PRO 68 92.982 -4.134 -12.520 496 2HD PRO 68 2HD PRO 68 94.609 -4.796 -12.784 497 H TYR 69 H TYR 69 91.076 -6.080 -11.369 498 HA TYR 69 HA TYR 69 89.676 -5.485 -8.821 499 1HB TYR 69 1HB TYR 69 89.347 -5.029 -11.715 500 2HB TYR 69 2HB TYR 69 87.841 -5.402 -10.875 501 HD1 TYR 69 HD1 TYR 69 87.876 -4.210 -8.344 502 HD2 TYR 69 HD2 TYR 69 89.735 -2.733 -11.923 503 HE1 TYR 69 HE1 TYR 69 87.811 -1.907 -7.427 504 HE2 TYR 69 HE2 TYR 69 89.671 -0.430 -11.006 505 HH TYR 69 HH TYR 69 89.404 0.343 -8.000 506 H THR 70 H THR 70 88.915 -7.535 -11.664 507 HA THR 70 HA THR 70 86.990 -9.167 -10.447 508 HB THR 70 HB THR 70 87.610 -8.971 -12.878 509 HG1 THR 70 HG1 THR 70 86.735 -10.863 -13.182 510 1HG2 THR 70 1HG2 THR 70 89.962 -10.584 -11.890 511 2HG2 THR 70 2HG2 THR 70 89.450 -10.629 -13.577 512 3HG2 THR 70 3HG2 THR 70 89.976 -9.108 -12.855 513 H ASN 71 H ASN 71 90.417 -9.118 -9.993 514 HA ASN 71 HA ASN 71 90.778 -11.860 -9.128 515 1HB ASN 71 1HB ASN 71 92.511 -10.193 -9.942 516 2HB ASN 71 2HB ASN 71 92.365 -9.389 -8.378 517 1HD2 ASN 71 2HD2 ASN 71 94.393 -9.961 -7.455 518 2HD2 ASN 71 1HD2 ASN 71 94.875 -11.566 -7.183 519 H ASN 72 H ASN 72 89.234 -12.382 -7.509 520 HA ASN 72 HA ASN 72 89.052 -10.652 -5.101 521 1HB ASN 72 1HB ASN 72 87.628 -13.223 -5.865 522 2HB ASN 72 2HB ASN 72 87.159 -12.112 -4.577 523 1HD2 ASN 72 2HD2 ASN 72 85.126 -12.364 -6.248 524 2HD2 ASN 72 1HD2 ASN 72 85.025 -11.108 -7.385 525 H TYR 73 H TYR 73 90.156 -11.160 -3.240 526 HA TYR 73 HA TYR 73 91.574 -13.795 -3.137 527 1HB TYR 73 1HB TYR 73 93.098 -12.565 -1.610 528 2HB TYR 73 2HB TYR 73 92.939 -11.738 -3.161 529 HD1 TYR 73 HD1 TYR 73 91.856 -11.730 0.386 530 HD2 TYR 73 HD2 TYR 73 91.893 -9.581 -3.333 531 HE1 TYR 73 HE1 TYR 73 91.038 -9.699 1.551 532 HE2 TYR 73 HE2 TYR 73 91.074 -7.551 -2.168 533 HH TYR 73 HH TYR 73 91.221 -6.686 0.332 534 H SER 74 H SER 74 91.607 -14.916 -1.064 535 HA SER 74 HA SER 74 89.124 -14.478 0.515 536 1HB SER 74 1HB SER 74 90.760 -16.686 -0.373 537 2HB SER 74 2HB SER 74 90.591 -16.745 1.380 538 HG SER 74 HG SER 74 88.661 -17.466 1.017 539 H TYR 75 H TYR 75 89.194 -13.937 2.718 540 HA TYR 75 HA TYR 75 91.814 -13.893 4.110 541 1HB TYR 75 1HB TYR 75 91.753 -11.533 4.476 542 2HB TYR 75 2HB TYR 75 91.393 -11.750 2.763 543 HD1 TYR 75 HD1 TYR 75 88.772 -12.139 2.252 544 HD2 TYR 75 HD2 TYR 75 90.348 -10.116 5.699 545 HE1 TYR 75 HE1 TYR 75 86.605 -10.974 2.559 546 HE2 TYR 75 HE2 TYR 75 88.180 -8.951 6.005 547 HH TYR 75 HH TYR 75 85.802 -9.301 5.398 548 H SER 76 H SER 76 91.184 -12.572 6.362 549 HA SER 76 HA SER 76 88.532 -13.262 7.398 550 1HB SER 76 1HB SER 76 90.789 -15.091 7.509 551 2HB SER 76 2HB SER 76 90.243 -14.669 9.129 552 HG SER 76 HG SER 76 89.177 -16.478 7.823 553 H CYS 77 H CYS 77 88.441 -12.671 9.797 554 HA CYS 77 HA CYS 77 90.500 -10.577 10.428 555 1HB CYS 77 1HB CYS 77 88.382 -9.582 9.865 556 2HB CYS 77 2HB CYS 77 87.514 -10.703 10.903 557 H SER 78 H SER 78 90.688 -10.185 12.783 558 HA SER 78 HA SER 78 89.717 -11.774 14.883 559 1HB SER 78 1HB SER 78 91.845 -13.364 14.922 560 2HB SER 78 2HB SER 78 90.437 -13.783 13.952 561 HG SER 78 HG SER 78 92.398 -12.135 12.829 562 H ASN 79 H ASN 79 90.748 -11.221 16.847 563 HA ASN 79 HA ASN 79 91.981 -9.707 18.202 564 1HB ASN 79 1HB ASN 79 93.949 -11.177 16.436 565 2HB ASN 79 2HB ASN 79 94.475 -10.159 17.777 566 1HD2 ASN 79 2HD2 ASN 79 92.328 -12.959 17.065 567 2HD2 ASN 79 1HD2 ASN 79 92.491 -13.666 18.600 568 H ASN 80 H ASN 80 90.838 -8.174 16.245 569 HA ASN 80 HA ASN 80 91.090 -6.267 14.909 570 1HB ASN 80 1HB ASN 80 93.385 -5.808 16.807 571 2HB ASN 80 2HB ASN 80 92.301 -4.621 16.119 572 1HD2 ASN 80 2HD2 ASN 80 89.880 -6.073 16.559 573 2HD2 ASN 80 1HD2 ASN 80 89.641 -6.109 18.222 574 H GLU 81 H GLU 81 92.397 -8.541 13.889 575 HA GLU 81 HA GLU 81 94.664 -7.268 12.473 576 1HB GLU 81 1HB GLU 81 94.482 -9.952 13.824 577 2HB GLU 81 2HB GLU 81 95.672 -9.647 12.556 578 1HG GLU 81 1HG GLU 81 95.837 -7.418 14.239 579 2HG GLU 81 2HG GLU 81 95.691 -8.794 15.327 580 H ILE 82 H ILE 82 95.028 -8.154 10.320 581 HA ILE 82 HA ILE 82 92.509 -9.237 9.139 582 HB ILE 82 HB ILE 82 94.886 -7.661 8.150 583 1HG1 ILE 82 1HG1 ILE 82 92.217 -6.868 7.307 584 2HG1 ILE 82 2HG1 ILE 82 92.309 -7.028 9.061 585 1HG2 ILE 82 1HG2 ILE 82 92.810 -9.123 6.494 586 2HG2 ILE 82 2HG2 ILE 82 93.823 -7.824 5.865 587 3HG2 ILE 82 3HG2 ILE 82 94.561 -9.325 6.426 588 1HD1 ILE 82 1HD1 ILE 82 94.699 -5.741 8.234 589 2HD1 ILE 82 2HD1 ILE 82 93.371 -4.937 7.397 590 3HD1 ILE 82 3HD1 ILE 82 93.367 -5.046 9.157 591 H THR 83 H THR 83 92.473 -11.245 8.220 592 HA THR 83 HA THR 83 95.040 -12.789 8.128 593 HB THR 83 HB THR 83 92.165 -13.394 8.775 594 HG1 THR 83 HG1 THR 83 94.438 -14.548 9.928 595 1HG2 THR 83 1HG2 THR 83 92.774 -15.001 6.989 596 2HG2 THR 83 2HG2 THR 83 94.201 -15.471 7.914 597 3HG2 THR 83 3HG2 THR 83 92.589 -15.801 8.550 598 H CYS 84 H CYS 84 95.722 -13.367 6.093 599 HA CYS 84 HA CYS 84 93.688 -13.361 3.885 600 1HB CYS 84 1HB CYS 84 96.092 -11.843 4.317 601 2HB CYS 84 2HB CYS 84 96.309 -12.864 2.895 602 H SER 85 H SER 85 93.618 -15.242 2.704 603 HA SER 85 HA SER 85 94.820 -17.648 3.454 604 1HB SER 85 1HB SER 85 94.508 -17.880 0.730 605 2HB SER 85 2HB SER 85 93.200 -18.034 1.900 606 HG SER 85 HG SER 85 92.467 -16.135 1.324 607 H SER 86 H SER 86 96.989 -18.070 3.609 608 HA SER 86 HA SER 86 99.068 -16.573 2.368 609 1HB SER 86 1HB SER 86 100.257 -18.912 2.910 610 2HB SER 86 2HB SER 86 99.752 -17.819 4.196 611 HG SER 86 HG SER 86 98.145 -19.128 4.689 612 H GLU 87 H GLU 87 97.111 -19.215 1.188 613 HA GLU 87 HA GLU 87 98.751 -20.283 -0.857 614 1HB GLU 87 1HB GLU 87 95.824 -19.918 -0.334 615 2HB GLU 87 2HB GLU 87 96.316 -20.484 -1.930 616 1HG GLU 87 1HG GLU 87 97.784 -22.190 -0.624 617 2HG GLU 87 2HG GLU 87 96.744 -21.797 0.746 618 H ASN 88 H ASN 88 97.118 -17.204 -0.634 619 HA ASN 88 HA ASN 88 96.749 -16.390 -3.259 620 1HB ASN 88 1HB ASN 88 97.924 -14.914 -0.885 621 2HB ASN 88 2HB ASN 88 97.326 -14.115 -2.339 622 1HD2 ASN 88 2HD2 ASN 88 96.213 -13.943 0.440 623 2HD2 ASN 88 1HD2 ASN 88 94.604 -14.470 0.322 624 H ASN 89 H ASN 89 98.152 -16.509 -4.985 625 HA ASN 89 HA ASN 89 100.965 -16.980 -4.738 626 1HB ASN 89 1HB ASN 89 100.918 -16.494 -7.187 627 2HB ASN 89 2HB ASN 89 99.623 -17.583 -6.696 628 1HD2 ASN 89 2HD2 ASN 89 98.305 -16.865 -8.555 629 2HD2 ASN 89 1HD2 ASN 89 97.542 -15.349 -8.537 630 H ALA 90 H ALA 90 102.389 -15.286 -6.205 631 HA ALA 90 HA ALA 90 103.090 -13.125 -4.619 632 1HB ALA 90 1HB ALA 90 103.977 -14.231 -6.892 633 2HB ALA 90 2HB ALA 90 103.202 -12.805 -7.585 634 3HB ALA 90 3HB ALA 90 104.486 -12.619 -6.390 635 H CYS 91 H CYS 91 100.992 -12.913 -7.523 636 HA CYS 91 HA CYS 91 100.290 -10.160 -7.172 637 1HB CYS 91 1HB CYS 91 100.063 -11.943 -9.130 638 2HB CYS 91 2HB CYS 91 98.448 -12.146 -8.451 639 H GLU 92 H GLU 92 98.487 -13.138 -6.307 640 HA GLU 92 HA GLU 92 96.201 -11.870 -5.192 641 1HB GLU 92 1HB GLU 92 97.624 -14.498 -4.738 642 2HB GLU 92 2HB GLU 92 96.107 -14.113 -3.923 643 1HG GLU 92 1HG GLU 92 95.481 -13.434 -6.485 644 2HG GLU 92 2HG GLU 92 96.608 -14.763 -6.766 645 H ALA 93 H ALA 93 99.342 -12.679 -3.750 646 HA ALA 93 HA ALA 93 98.563 -11.974 -1.038 647 1HB ALA 93 1HB ALA 93 100.391 -13.537 -1.652 648 2HB ALA 93 2HB ALA 93 101.275 -12.200 -2.388 649 3HB ALA 93 3HB ALA 93 100.989 -12.217 -0.647 650 H PHE 94 H PHE 94 100.101 -10.263 -3.743 651 HA PHE 94 HA PHE 94 100.840 -7.902 -2.255 652 1HB PHE 94 1HB PHE 94 101.669 -8.739 -4.520 653 2HB PHE 94 2HB PHE 94 100.155 -8.138 -5.196 654 HD1 PHE 94 HD1 PHE 94 103.001 -7.033 -3.021 655 HD2 PHE 94 HD2 PHE 94 100.025 -5.914 -5.909 656 HE1 PHE 94 HE1 PHE 94 103.947 -4.743 -3.109 657 HE2 PHE 94 HE2 PHE 94 100.971 -3.623 -5.997 658 HZ PHE 94 HZ PHE 94 102.933 -3.038 -4.597 659 H ILE 95 H ILE 95 97.978 -8.775 -4.204 660 HA ILE 95 HA ILE 95 96.641 -6.262 -4.093 661 HB ILE 95 HB ILE 95 95.664 -9.132 -4.222 662 1HG1 ILE 95 1HG1 ILE 95 97.056 -8.561 -6.106 663 2HG1 ILE 95 2HG1 ILE 95 95.384 -8.483 -6.660 664 1HG2 ILE 95 1HG2 ILE 95 94.002 -7.241 -3.471 665 2HG2 ILE 95 2HG2 ILE 95 94.078 -6.760 -5.166 666 3HG2 ILE 95 3HG2 ILE 95 93.513 -8.373 -4.731 667 1HD1 ILE 95 1HD1 ILE 95 95.540 -5.965 -5.965 668 2HD1 ILE 95 2HD1 ILE 95 97.281 -6.227 -6.064 669 3HD1 ILE 95 3HD1 ILE 95 96.269 -6.478 -7.487 670 H CYS 96 H CYS 96 96.627 -9.028 -1.842 671 HA CYS 96 HA CYS 96 94.625 -7.967 -0.058 672 1HB CYS 96 1HB CYS 96 95.137 -10.300 -0.019 673 2HB CYS 96 2HB CYS 96 96.865 -9.993 0.147 674 H ASN 97 H ASN 97 98.198 -7.869 -0.038 675 HA ASN 97 HA ASN 97 98.574 -6.514 2.421 676 1HB ASN 97 1HB ASN 97 100.028 -6.838 -0.175 677 2HB ASN 97 2HB ASN 97 100.634 -5.629 0.956 678 1HD2 ASN 97 2HD2 ASN 97 102.412 -7.571 0.665 679 2HD2 ASN 97 1HD2 ASN 97 102.362 -8.703 1.923 680 H CYS 98 H CYS 98 97.603 -5.320 -0.751 681 HA CYS 98 HA CYS 98 98.021 -2.511 -0.251 682 1HB CYS 98 1HB CYS 98 96.171 -4.073 -2.082 683 2HB CYS 98 2HB CYS 98 96.410 -2.330 -2.189 684 H ASP 99 H ASP 99 95.084 -4.558 -0.091 685 HA ASP 99 HA ASP 99 93.365 -2.497 0.946 686 1HB ASP 99 1HB ASP 99 93.321 -5.526 0.946 687 2HB ASP 99 2HB ASP 99 91.978 -4.557 1.554 688 H ARG 100 H ARG 100 95.295 -5.055 2.520 689 HA ARG 100 HA ARG 100 94.378 -4.574 5.197 690 1HB ARG 100 1HB ARG 100 95.707 -6.526 4.137 691 2HB ARG 100 2HB ARG 100 97.134 -5.522 4.396 692 1HG ARG 100 1HG ARG 100 96.016 -5.300 6.834 693 2HG ARG 100 2HG ARG 100 95.393 -6.888 6.387 694 1HD ARG 100 1HD ARG 100 98.194 -6.687 5.672 695 2HD ARG 100 2HD ARG 100 97.959 -6.338 7.392 696 HE ARG 100 HE ARG 100 96.345 -8.554 6.656 697 1HH1 ARG 100 1HH1 ARG 100 99.429 -7.531 7.708 698 2HH1 ARG 100 2HH1 ARG 100 100.046 -9.133 7.933 699 1HH2 ARG 100 1HH2 ARG 100 97.199 -10.686 6.703 700 2HH2 ARG 100 2HH2 ARG 100 98.783 -10.920 7.364 701 H ASN 101 H ASN 101 97.181 -3.317 3.374 702 HA ASN 101 HA ASN 101 98.305 -1.757 5.498 703 1HB ASN 101 1HB ASN 101 98.433 -1.905 2.516 704 2HB ASN 101 2HB ASN 101 99.099 -0.467 3.285 705 1HD2 ASN 101 2HD2 ASN 101 101.009 -1.897 2.088 706 2HD2 ASN 101 1HD2 ASN 101 101.892 -2.837 3.185 707 H ALA 102 H ALA 102 95.603 -1.216 3.340 708 HA ALA 102 HA ALA 102 95.447 1.665 3.710 709 1HB ALA 102 1HB ALA 102 94.384 -0.247 2.030 710 2HB ALA 102 2HB ALA 102 93.000 0.168 3.040 711 3HB ALA 102 3HB ALA 102 93.830 1.424 2.122 712 H ALA 103 H ALA 103 93.748 -1.142 5.128 713 HA ALA 103 HA ALA 103 91.990 0.372 6.819 714 1HB ALA 103 1HB ALA 103 91.860 -2.059 6.086 715 2HB ALA 103 2HB ALA 103 93.116 -2.404 7.275 716 3HB ALA 103 3HB ALA 103 91.550 -1.785 7.800 717 H ILE 104 H ILE 104 95.313 -0.780 7.233 718 HA ILE 104 HA ILE 104 95.469 -0.309 10.082 719 HB ILE 104 HB ILE 104 97.506 -0.500 7.842 720 1HG1 ILE 104 1HG1 ILE 104 97.070 -2.514 10.026 721 2HG1 ILE 104 2HG1 ILE 104 95.941 -2.464 8.672 722 1HG2 ILE 104 1HG2 ILE 104 97.919 0.574 10.395 723 2HG2 ILE 104 2HG2 ILE 104 98.479 -1.094 10.521 724 3HG2 ILE 104 3HG2 ILE 104 99.163 -0.024 9.298 725 1HD1 ILE 104 1HD1 ILE 104 98.923 -2.535 8.220 726 2HD1 ILE 104 2HD1 ILE 104 97.994 -4.017 8.447 727 3HD1 ILE 104 3HD1 ILE 104 97.632 -2.948 7.091 728 H CYS 105 H CYS 105 96.102 1.685 7.212 729 HA CYS 105 HA CYS 105 97.357 3.881 8.585 730 1HB CYS 105 1HB CYS 105 97.198 3.226 6.069 731 2HB CYS 105 2HB CYS 105 95.661 4.091 6.098 732 H PHE 106 H PHE 106 93.964 3.290 7.603 733 HA PHE 106 HA PHE 106 92.811 5.696 8.456 734 1HB PHE 106 1HB PHE 106 91.736 2.863 8.597 735 2HB PHE 106 2HB PHE 106 90.756 4.327 8.574 736 HD1 PHE 106 HD1 PHE 106 92.517 5.878 6.586 737 HD2 PHE 106 HD2 PHE 106 90.932 1.888 6.547 738 HE1 PHE 106 HE1 PHE 106 92.571 5.882 4.109 739 HE2 PHE 106 HE2 PHE 106 90.991 1.890 4.068 740 HZ PHE 106 HZ PHE 106 91.810 3.889 2.848 741 H SER 107 H SER 107 93.547 2.749 10.282 742 HA SER 107 HA SER 107 92.406 3.755 12.781 743 1HB SER 107 1HB SER 107 92.862 1.600 13.513 744 2HB SER 107 2HB SER 107 92.837 1.328 11.773 745 HG SER 107 HG SER 107 95.167 1.795 11.891 746 H LYS 108 H LYS 108 95.388 4.217 11.145 747 HA LYS 108 HA LYS 108 96.847 4.814 13.679 748 1HB LYS 108 1HB LYS 108 97.550 4.279 10.803 749 2HB LYS 108 2HB LYS 108 98.720 5.079 11.854 750 1HG LYS 108 1HG LYS 108 97.395 2.654 12.953 751 2HG LYS 108 2HG LYS 108 98.556 2.395 11.651 752 1HD LYS 108 1HD LYS 108 99.892 4.204 13.220 753 2HD LYS 108 2HD LYS 108 99.015 3.267 14.431 754 1HE LYS 108 1HE LYS 108 100.939 1.962 14.193 755 2HE LYS 108 2HE LYS 108 99.898 1.214 12.965 756 1HZ LYS 108 1HZ LYS 108 100.845 3.250 11.576 757 2HZ LYS 108 2HZ LYS 108 102.165 3.018 12.621 758 3HZ LYS 108 3HZ LYS 108 101.636 1.747 11.631 759 H VAL 109 H VAL 109 95.105 6.385 11.181 760 HA VAL 109 HA VAL 109 96.431 8.998 11.836 761 HB VAL 109 HB VAL 109 95.775 9.665 9.580 762 1HG1 VAL 109 1HG1 VAL 109 97.224 7.082 9.996 763 2HG1 VAL 109 2HG1 VAL 109 96.844 7.557 8.340 764 3HG1 VAL 109 3HG1 VAL 109 97.823 8.613 9.358 765 1HG2 VAL 109 1HG2 VAL 109 93.847 7.592 9.943 766 2HG2 VAL 109 2HG2 VAL 109 93.985 8.718 8.593 767 3HG2 VAL 109 3HG2 VAL 109 94.825 7.169 8.537 768 HA PRO 110 HA PRO 110 92.588 10.381 13.444 769 1HB PRO 110 1HB PRO 110 92.684 13.040 12.803 770 2HB PRO 110 2HB PRO 110 93.681 12.318 14.081 771 1HG PRO 110 1HG PRO 110 94.418 13.042 11.289 772 2HG PRO 110 2HG PRO 110 95.357 13.203 12.782 773 1HD PRO 110 1HD PRO 110 95.745 11.202 10.971 774 2HD PRO 110 2HD PRO 110 96.095 11.036 12.706 775 H TYR 111 H TYR 111 90.537 11.615 12.729 776 HA TYR 111 HA TYR 111 90.134 11.491 9.766 777 1HB TYR 111 1HB TYR 111 89.323 9.400 10.558 778 2HB TYR 111 2HB TYR 111 88.618 10.131 12.000 779 HD1 TYR 111 HD1 TYR 111 88.436 10.804 8.304 780 HD2 TYR 111 HD2 TYR 111 86.297 10.137 11.970 781 HE1 TYR 111 HE1 TYR 111 86.286 11.098 7.103 782 HE2 TYR 111 HE2 TYR 111 84.147 10.430 10.769 783 HH TYR 111 HH TYR 111 83.169 10.804 8.819 784 H ASN 112 H ASN 112 89.348 13.465 9.147 785 HA ASN 112 HA ASN 112 87.992 15.185 11.161 786 1HB ASN 112 1HB ASN 112 89.204 15.595 8.416 787 2HB ASN 112 2HB ASN 112 88.334 16.872 9.266 788 1HD2 ASN 112 2HD2 ASN 112 91.002 14.515 9.877 789 2HD2 ASN 112 1HD2 ASN 112 91.915 15.578 10.835 790 H LYS 113 H LYS 113 85.786 14.919 11.226 791 HA LYS 113 HA LYS 113 84.205 13.776 9.119 792 1HB LYS 113 1HB LYS 113 83.440 15.582 11.440 793 2HB LYS 113 2HB LYS 113 82.343 14.518 10.560 794 1HG LYS 113 1HG LYS 113 84.486 12.873 11.312 795 2HG LYS 113 2HG LYS 113 84.165 13.875 12.728 796 1HD LYS 113 1HD LYS 113 81.716 12.909 11.440 797 2HD LYS 113 2HD LYS 113 82.749 11.601 12.021 798 1HE LYS 113 1HE LYS 113 81.381 12.151 13.896 799 2HE LYS 113 2HE LYS 113 82.909 12.995 14.219 800 1HZ LYS 113 1HZ LYS 113 81.903 14.894 12.902 801 2HZ LYS 113 2HZ LYS 113 80.409 14.105 13.084 802 3HZ LYS 113 3HZ LYS 113 81.262 14.630 14.453 803 H GLU 114 H GLU 114 85.259 17.047 9.803 804 HA GLU 114 HA GLU 114 83.319 18.452 8.244 805 1HB GLU 114 1HB GLU 114 84.957 19.264 10.048 806 2HB GLU 114 2HB GLU 114 86.180 19.258 8.777 807 1HG GLU 114 1HG GLU 114 83.727 20.572 7.908 808 2HG GLU 114 2HG GLU 114 84.410 21.340 9.342 809 H HIS 115 H HIS 115 86.545 17.145 7.490 810 HA HIS 115 HA HIS 115 86.697 18.204 4.815 811 1HB HIS 115 1HB HIS 115 88.040 16.096 6.470 812 2HB HIS 115 2HB HIS 115 88.358 16.131 4.737 813 HD1 HIS 115 HD1 HIS 115 90.814 16.794 6.049 814 HD2 HIS 115 HD2 HIS 115 87.873 19.723 5.663 815 HE1 HIS 115 HE1 HIS 115 91.984 19.024 6.320 816 H LYS 116 H LYS 116 84.636 15.855 6.097 817 HA LYS 116 HA LYS 116 84.566 13.808 4.149 818 1HB LYS 116 1HB LYS 116 83.380 14.288 6.461 819 2HB LYS 116 2HB LYS 116 82.109 14.951 5.437 820 1HG LYS 116 1HG LYS 116 82.191 12.771 4.131 821 2HG LYS 116 2HG LYS 116 83.218 12.140 5.420 822 1HD LYS 116 1HD LYS 116 81.137 11.495 6.212 823 2HD LYS 116 2HD LYS 116 81.277 13.083 6.968 824 1HE LYS 116 1HE LYS 116 80.185 13.870 4.649 825 2HE LYS 116 2HE LYS 116 79.534 12.219 4.700 826 1HZ LYS 116 1HZ LYS 116 79.512 13.912 7.115 827 2HZ LYS 116 2HZ LYS 116 78.279 14.068 5.956 828 3HZ LYS 116 3HZ LYS 116 78.530 12.581 6.739 829 H ASN 117 H ASN 117 83.454 13.638 2.158 830 HA ASN 117 HA ASN 117 82.571 14.455 0.115 831 1HB ASN 117 1HB ASN 117 81.002 15.632 2.382 832 2HB ASN 117 2HB ASN 117 80.645 16.185 0.746 833 1HD2 ASN 117 2HD2 ASN 117 80.980 13.149 2.656 834 2HD2 ASN 117 1HD2 ASN 117 79.862 12.269 1.731 835 H LEU 118 H LEU 118 84.904 15.594 0.124 836 HA LEU 118 HA LEU 118 84.935 18.437 0.534 837 1HB LEU 118 1HB LEU 118 86.937 17.318 0.936 838 2HB LEU 118 2HB LEU 118 86.683 16.219 -0.402 839 HG LEU 118 HG LEU 118 87.012 18.183 -1.935 840 1HD1 LEU 118 1HD1 LEU 118 86.766 19.777 0.150 841 2HD1 LEU 118 2HD1 LEU 118 88.483 19.439 0.367 842 3HD1 LEU 118 3HD1 LEU 118 87.915 20.194 -1.122 843 1HD2 LEU 118 1HD2 LEU 118 88.850 16.481 -0.609 844 2HD2 LEU 118 2HD2 LEU 118 89.037 17.243 -2.188 845 3HD2 LEU 118 3HD2 LEU 118 89.617 18.063 -0.739 846 H ASP 119 H ASP 119 85.667 19.817 -1.364 847 HA ASP 119 HA ASP 119 83.904 19.307 -3.697 848 1HB ASP 119 1HB ASP 119 83.911 21.443 -2.337 849 2HB ASP 119 2HB ASP 119 85.534 21.755 -2.955 850 H LYS 120 H LYS 120 84.813 18.446 -5.526 851 HA LYS 120 HA LYS 120 87.523 17.849 -5.916 852 1HB LYS 120 1HB LYS 120 85.337 18.468 -7.928 853 2HB LYS 120 2HB LYS 120 86.821 17.585 -8.290 854 1HG LYS 120 1HG LYS 120 86.174 15.925 -6.503 855 2HG LYS 120 2HG LYS 120 84.618 16.748 -6.385 856 1HD LYS 120 1HD LYS 120 84.662 16.405 -9.036 857 2HD LYS 120 2HD LYS 120 85.704 15.053 -8.590 858 1HE LYS 120 1HE LYS 120 83.448 14.195 -8.607 859 2HE LYS 120 2HE LYS 120 83.882 14.398 -6.898 860 1HZ LYS 120 1HZ LYS 120 82.665 16.606 -8.438 861 2HZ LYS 120 2HZ LYS 120 81.691 15.429 -7.695 862 3HZ LYS 120 3HZ LYS 120 82.722 16.392 -6.753 863 H LYS 121 H LYS 121 85.895 20.889 -6.208 864 HA LYS 121 HA LYS 121 87.621 22.200 -8.098 865 1HB LYS 121 1HB LYS 121 85.428 22.753 -6.302 866 2HB LYS 121 2HB LYS 121 86.618 24.053 -6.220 867 1HG LYS 121 1HG LYS 121 86.214 23.204 -8.957 868 2HG LYS 121 2HG LYS 121 84.685 23.678 -8.216 869 1HD LYS 121 1HD LYS 121 86.628 25.574 -7.378 870 2HD LYS 121 2HD LYS 121 86.830 25.366 -9.117 871 1HE LYS 121 1HE LYS 121 84.231 25.576 -9.222 872 2HE LYS 121 2HE LYS 121 84.389 26.294 -7.608 873 1HZ LYS 121 1HZ LYS 121 86.425 27.398 -9.085 874 2HZ LYS 121 2HZ LYS 121 85.093 27.406 -10.140 875 3HZ LYS 121 3HZ LYS 121 84.981 28.167 -8.630 876 H ASN 122 H ASN 122 88.145 21.132 -4.951 877 HA ASN 122 HA ASN 122 90.269 23.130 -4.347 878 1HB ASN 122 1HB ASN 122 88.664 21.044 -2.929 879 2HB ASN 122 2HB ASN 122 90.268 21.398 -2.297 880 1HD2 ASN 122 2HD2 ASN 122 87.061 22.335 -2.029 881 2HD2 ASN 122 1HD2 ASN 122 87.287 23.912 -1.442 882 H CYS 123 H CYS 123 89.748 20.165 -5.819 883 HA CYS 123 HA CYS 123 92.505 19.146 -5.328 884 1HB CYS 123 1HB CYS 123 89.805 18.094 -5.998 885 2HB CYS 123 2HB CYS 123 91.173 17.216 -6.655 Start of MODEL 2 1 1H ALA 1 1H ALA 1 88.074 -6.349 -6.981 2 2H ALA 1 2H ALA 1 87.698 -7.933 -7.465 3 3H ALA 1 3H ALA 1 86.512 -6.721 -7.537 4 HA ALA 1 HA ALA 1 86.024 -8.012 -5.613 5 1HB ALA 1 1HB ALA 1 89.013 -7.713 -5.297 6 2HB ALA 1 2HB ALA 1 87.998 -8.208 -3.943 7 3HB ALA 1 3HB ALA 1 88.069 -9.198 -5.400 8 H LEU 2 H LEU 2 84.737 -6.494 -4.628 9 HA LEU 2 HA LEU 2 86.085 -4.104 -3.414 10 1HB LEU 2 1HB LEU 2 83.680 -4.418 -5.172 11 2HB LEU 2 2HB LEU 2 83.685 -3.116 -3.980 12 HG LEU 2 HG LEU 2 85.882 -3.593 -6.017 13 1HD1 LEU 2 1HD1 LEU 2 83.331 -2.516 -6.431 14 2HD1 LEU 2 2HD1 LEU 2 84.380 -1.111 -6.240 15 3HD1 LEU 2 3HD1 LEU 2 84.735 -2.314 -7.479 16 1HD2 LEU 2 1HD2 LEU 2 85.575 -1.885 -3.649 17 2HD2 LEU 2 2HD2 LEU 2 87.033 -2.302 -4.549 18 3HD2 LEU 2 3HD2 LEU 2 86.003 -0.982 -5.102 19 H TRP 3 H TRP 3 84.704 -6.908 -2.604 20 HA TRP 3 HA TRP 3 82.979 -5.787 -0.432 21 1HB TRP 3 1HB TRP 3 82.974 -8.654 -0.490 22 2HB TRP 3 2HB TRP 3 81.658 -7.563 -0.893 23 HD1 TRP 3 HD1 TRP 3 84.602 -9.426 -2.506 24 HE1 TRP 3 HE1 TRP 3 84.124 -9.686 -5.026 25 HE3 TRP 3 HE3 TRP 3 80.334 -6.646 -2.892 26 HZ2 TRP 3 HZ2 TRP 3 82.192 -8.836 -6.948 27 HZ3 TRP 3 HZ3 TRP 3 79.197 -6.391 -5.079 28 HH2 TRP 3 HH2 TRP 3 80.121 -7.482 -7.106 29 H GLN 4 H GLN 4 85.992 -7.393 -1.070 30 HA GLN 4 HA GLN 4 86.411 -8.351 1.665 31 1HB GLN 4 1HB GLN 4 88.138 -8.022 -0.805 32 2HB GLN 4 2HB GLN 4 88.727 -8.748 0.691 33 1HG GLN 4 1HG GLN 4 87.458 -10.649 0.432 34 2HG GLN 4 2HG GLN 4 86.158 -9.794 -0.400 35 1HE2 GLN 4 2HE2 GLN 4 86.732 -12.027 -1.723 36 2HE2 GLN 4 1HE2 GLN 4 87.751 -11.770 -3.056 37 H PHE 5 H PHE 5 87.787 -5.723 -0.347 38 HA PHE 5 HA PHE 5 89.552 -4.542 1.460 39 1HB PHE 5 1HB PHE 5 89.232 -3.832 -0.854 40 2HB PHE 5 2HB PHE 5 87.595 -3.287 -0.491 41 HD1 PHE 5 HD1 PHE 5 90.817 -2.873 1.386 42 HD2 PHE 5 HD2 PHE 5 87.563 -0.956 -0.662 43 HE1 PHE 5 HE1 PHE 5 91.699 -0.655 2.059 44 HE2 PHE 5 HE2 PHE 5 88.446 1.261 0.011 45 HZ PHE 5 HZ PHE 5 90.514 1.411 1.371 46 H ASN 6 H ASN 6 86.038 -3.907 1.185 47 HA ASN 6 HA ASN 6 85.874 -2.022 3.334 48 1HB ASN 6 1HB ASN 6 84.095 -3.726 1.683 49 2HB ASN 6 2HB ASN 6 83.420 -3.209 3.229 50 1HD2 ASN 6 2HD2 ASN 6 83.367 -0.818 3.641 51 2HD2 ASN 6 1HD2 ASN 6 83.319 0.252 2.324 52 H GLY 7 H GLY 7 85.230 -5.549 3.265 53 1HA GLY 7 1HA GLY 7 84.517 -5.910 5.955 54 2HA GLY 7 2HA GLY 7 85.354 -7.134 4.998 55 H MET 8 H MET 8 87.744 -5.606 4.517 56 HA MET 8 HA MET 8 89.252 -6.249 6.874 57 1HB MET 8 1HB MET 8 89.749 -4.602 4.383 58 2HB MET 8 2HB MET 8 91.003 -4.870 5.594 59 1HG MET 8 1HG MET 8 90.285 -7.404 5.309 60 2HG MET 8 2HG MET 8 89.707 -6.837 3.742 61 1HE MET 8 1HE MET 8 91.171 -8.855 3.570 62 2HE MET 8 2HE MET 8 92.572 -8.573 2.539 63 3HE MET 8 3HE MET 8 92.802 -8.934 4.249 64 H ILE 9 H ILE 9 88.049 -3.137 5.579 65 HA ILE 9 HA ILE 9 89.234 -1.407 7.491 66 HB ILE 9 HB ILE 9 86.541 -1.256 6.095 67 1HG1 ILE 9 1HG1 ILE 9 89.316 -0.338 5.275 68 2HG1 ILE 9 2HG1 ILE 9 88.362 -1.606 4.504 69 1HG2 ILE 9 1HG2 ILE 9 86.967 0.363 8.013 70 2HG2 ILE 9 2HG2 ILE 9 88.304 1.009 7.060 71 3HG2 ILE 9 3HG2 ILE 9 86.653 1.115 6.449 72 1HD1 ILE 9 1HD1 ILE 9 86.576 0.165 4.089 73 2HD1 ILE 9 2HD1 ILE 9 87.776 1.361 4.579 74 3HD1 ILE 9 3HD1 ILE 9 88.063 0.353 3.161 75 H LYS 10 H LYS 10 86.572 -3.645 7.789 76 HA LYS 10 HA LYS 10 85.464 -2.422 10.216 77 1HB LYS 10 1HB LYS 10 85.062 -5.051 8.755 78 2HB LYS 10 2HB LYS 10 84.113 -4.561 10.160 79 1HG LYS 10 1HG LYS 10 83.342 -2.559 8.976 80 2HG LYS 10 2HG LYS 10 84.335 -2.982 7.581 81 1HD LYS 10 1HD LYS 10 81.961 -3.658 7.273 82 2HD LYS 10 2HD LYS 10 83.053 -5.043 7.255 83 1HE LYS 10 1HE LYS 10 81.026 -5.453 8.668 84 2HE LYS 10 2HE LYS 10 82.521 -5.507 9.624 85 1HZ LYS 10 1HZ LYS 10 80.989 -3.004 9.223 86 2HZ LYS 10 2HZ LYS 10 80.676 -4.049 10.525 87 3HZ LYS 10 3HZ LYS 10 82.201 -3.318 10.367 88 H CYS 11 H CYS 11 87.576 -5.174 9.410 89 HA CYS 11 HA CYS 11 87.750 -6.367 11.962 90 1HB CYS 11 1HB CYS 11 88.593 -7.223 9.756 91 2HB CYS 11 2HB CYS 11 89.907 -6.055 9.854 92 H LYS 12 H LYS 12 89.715 -3.810 10.469 93 HA LYS 12 HA LYS 12 91.369 -3.385 12.832 94 1HB LYS 12 1HB LYS 12 90.845 -1.588 10.443 95 2HB LYS 12 2HB LYS 12 92.266 -1.567 11.489 96 1HG LYS 12 1HG LYS 12 91.777 -4.226 10.402 97 2HG LYS 12 2HG LYS 12 91.979 -3.028 9.123 98 1HD LYS 12 1HD LYS 12 94.183 -3.762 9.602 99 2HD LYS 12 2HD LYS 12 94.036 -2.220 10.444 100 1HE LYS 12 1HE LYS 12 93.834 -3.249 12.559 101 2HE LYS 12 2HE LYS 12 93.381 -4.813 11.852 102 1HZ LYS 12 1HZ LYS 12 95.747 -4.280 10.661 103 2HZ LYS 12 2HZ LYS 12 96.000 -3.660 12.221 104 3HZ LYS 12 3HZ LYS 12 95.553 -5.284 12.012 105 H ILE 13 H ILE 13 88.760 -1.480 11.270 106 HA ILE 13 HA ILE 13 88.396 -0.014 13.861 107 HB ILE 13 HB ILE 13 87.855 0.666 10.955 108 1HG1 ILE 13 1HG1 ILE 13 89.454 2.388 12.780 109 2HG1 ILE 13 2HG1 ILE 13 90.177 0.842 12.333 110 1HG2 ILE 13 1HG2 ILE 13 87.121 2.153 13.491 111 2HG2 ILE 13 2HG2 ILE 13 87.177 2.916 11.901 112 3HG2 ILE 13 3HG2 ILE 13 86.032 1.612 12.213 113 1HD1 ILE 13 1HD1 ILE 13 89.199 1.728 9.921 114 2HD1 ILE 13 2HD1 ILE 13 89.704 3.234 10.686 115 3HD1 ILE 13 3HD1 ILE 13 90.865 1.926 10.462 116 HA PRO 14 HA PRO 14 84.630 -2.608 13.269 117 1HB PRO 14 1HB PRO 14 84.491 -3.481 15.857 118 2HB PRO 14 2HB PRO 14 85.466 -4.292 14.615 119 1HG PRO 14 1HG PRO 14 86.315 -2.480 16.802 120 2HG PRO 14 2HG PRO 14 87.151 -3.869 16.094 121 1HD PRO 14 1HD PRO 14 87.726 -1.223 15.538 122 2HD PRO 14 2HD PRO 14 88.153 -2.599 14.498 123 H SER 15 H SER 15 85.576 -0.118 15.535 124 HA SER 15 HA SER 15 82.850 0.344 16.536 125 1HB SER 15 1HB SER 15 83.940 1.978 17.898 126 2HB SER 15 2HB SER 15 85.084 0.646 17.756 127 HG SER 15 HG SER 15 85.840 1.928 15.828 128 H SER 16 H SER 16 84.172 0.929 13.590 129 HA SER 16 HA SER 16 82.470 3.353 13.197 130 1HB SER 16 1HB SER 16 85.206 3.435 13.465 131 2HB SER 16 2HB SER 16 85.023 3.303 11.719 132 HG SER 16 HG SER 16 83.355 5.071 13.091 133 H GLU 17 H GLU 17 81.201 3.109 11.393 134 HA GLU 17 HA GLU 17 81.390 0.720 9.750 135 1HB GLU 17 1HB GLU 17 79.754 3.271 9.605 136 2HB GLU 17 2HB GLU 17 79.470 1.861 8.582 137 1HG GLU 17 1HG GLU 17 79.656 1.355 11.506 138 2HG GLU 17 2HG GLU 17 78.220 2.214 10.947 139 HA PRO 18 HA PRO 18 84.164 2.488 6.779 140 1HB PRO 18 1HB PRO 18 84.044 0.454 4.959 141 2HB PRO 18 2HB PRO 18 84.954 0.338 6.478 142 1HG PRO 18 1HG PRO 18 82.314 -0.806 5.765 143 2HG PRO 18 2HG PRO 18 83.588 -1.460 6.802 144 1HD PRO 18 1HD PRO 18 81.281 -0.245 7.711 145 2HD PRO 18 2HD PRO 18 82.778 -0.421 8.652 146 H LEU 19 H LEU 19 80.822 2.016 6.380 147 HA LEU 19 HA LEU 19 80.877 3.171 3.613 148 1HB LEU 19 1HB LEU 19 78.632 1.783 5.109 149 2HB LEU 19 2HB LEU 19 78.669 2.175 3.390 150 HG LEU 19 HG LEU 19 80.910 0.523 4.464 151 1HD1 LEU 19 1HD1 LEU 19 78.580 -0.299 5.355 152 2HD1 LEU 19 2HD1 LEU 19 78.333 -0.819 3.687 153 3HD1 LEU 19 3HD1 LEU 19 79.684 -1.464 4.622 154 1HD2 LEU 19 1HD2 LEU 19 79.274 0.675 1.921 155 2HD2 LEU 19 2HD2 LEU 19 80.977 1.081 2.134 156 3HD2 LEU 19 3HD2 LEU 19 80.455 -0.602 2.214 157 H LEU 20 H LEU 20 80.741 4.301 6.665 158 HA LEU 20 HA LEU 20 78.669 6.363 5.978 159 1HB LEU 20 1HB LEU 20 79.418 5.245 8.698 160 2HB LEU 20 2HB LEU 20 78.105 6.372 8.356 161 HG LEU 20 HG LEU 20 78.326 3.541 7.289 162 1HD1 LEU 20 1HD1 LEU 20 77.563 4.345 9.805 163 2HD1 LEU 20 2HD1 LEU 20 76.024 4.343 8.945 164 3HD1 LEU 20 3HD1 LEU 20 77.000 2.875 9.011 165 1HD2 LEU 20 1HD2 LEU 20 77.219 5.192 5.753 166 2HD2 LEU 20 2HD2 LEU 20 76.121 3.940 6.334 167 3HD2 LEU 20 3HD2 LEU 20 76.069 5.555 7.039 168 H ASP 21 H ASP 21 81.823 5.684 7.428 169 HA ASP 21 HA ASP 21 82.255 8.618 7.825 170 1HB ASP 21 1HB ASP 21 83.425 6.079 8.955 171 2HB ASP 21 2HB ASP 21 84.279 7.613 9.123 172 H PHE 22 H PHE 22 83.733 5.712 6.369 173 HA PHE 22 HA PHE 22 85.798 7.395 5.055 174 1HB PHE 22 1HB PHE 22 85.302 4.400 5.085 175 2HB PHE 22 2HB PHE 22 86.759 5.199 4.495 176 HD1 PHE 22 HD1 PHE 22 88.226 6.461 6.086 177 HD2 PHE 22 HD2 PHE 22 84.916 4.076 7.431 178 HE1 PHE 22 HE1 PHE 22 89.148 6.481 8.388 179 HE2 PHE 22 HE2 PHE 22 85.837 4.097 9.733 180 HZ PHE 22 HZ PHE 22 87.952 5.300 10.212 181 H ASN 23 H ASN 23 83.323 8.059 4.035 182 HA ASN 23 HA ASN 23 83.272 6.650 1.383 183 1HB ASN 23 1HB ASN 23 81.245 7.194 3.394 184 2HB ASN 23 2HB ASN 23 80.796 7.899 1.841 185 1HD2 ASN 23 2HD2 ASN 23 79.076 6.160 1.780 186 2HD2 ASN 23 1HD2 ASN 23 79.508 4.601 1.267 187 H ASN 24 H ASN 24 83.611 7.987 -0.356 188 HA ASN 24 HA ASN 24 84.166 9.994 -1.494 189 1HB ASN 24 1HB ASN 24 81.590 9.789 -1.177 190 2HB ASN 24 2HB ASN 24 81.786 11.079 0.009 191 1HD2 ASN 24 2HD2 ASN 24 81.563 13.137 -0.875 192 2HD2 ASN 24 1HD2 ASN 24 81.906 13.550 -2.484 193 H TYR 25 H TYR 25 86.033 10.063 0.266 194 HA TYR 25 HA TYR 25 85.785 12.675 1.724 195 1HB TYR 25 1HB TYR 25 85.691 10.854 3.315 196 2HB TYR 25 2HB TYR 25 87.058 10.049 2.547 197 HD1 TYR 25 HD1 TYR 25 89.325 11.237 2.539 198 HD2 TYR 25 HD2 TYR 25 86.032 12.483 5.002 199 HE1 TYR 25 HE1 TYR 25 90.888 12.501 3.991 200 HE2 TYR 25 HE2 TYR 25 87.596 13.748 6.452 201 HH TYR 25 HH TYR 25 90.961 13.343 6.318 202 H GLY 26 H GLY 26 87.790 13.889 1.829 203 1HA GLY 26 1HA GLY 26 89.670 14.785 0.721 204 2HA GLY 26 2HA GLY 26 90.328 13.172 0.995 205 H CYS 27 H CYS 27 91.437 13.717 -1.109 206 HA CYS 27 HA CYS 27 89.728 13.590 -3.522 207 1HB CYS 27 1HB CYS 27 92.746 13.661 -3.281 208 2HB CYS 27 2HB CYS 27 91.769 14.167 -4.658 209 H TYR 28 H TYR 28 91.613 11.423 -1.545 210 HA TYR 28 HA TYR 28 91.777 9.413 -3.738 211 1HB TYR 28 1HB TYR 28 92.911 9.577 -0.927 212 2HB TYR 28 2HB TYR 28 93.224 8.251 -2.049 213 HD1 TYR 28 HD1 TYR 28 94.223 8.831 -4.349 214 HD2 TYR 28 HD2 TYR 28 94.195 11.557 -1.028 215 HE1 TYR 28 HE1 TYR 28 96.021 10.158 -5.423 216 HE2 TYR 28 HE2 TYR 28 95.994 12.883 -2.102 217 HH TYR 28 HH TYR 28 97.394 11.886 -5.230 218 H CYS 29 H CYS 29 90.804 9.458 -0.281 219 HA CYS 29 HA CYS 29 89.545 6.987 -0.094 220 1HB CYS 29 1HB CYS 29 88.591 9.642 1.026 221 2HB CYS 29 2HB CYS 29 88.238 8.049 1.696 222 H GLY 30 H GLY 30 87.895 6.081 -1.256 223 1HA GLY 30 1HA GLY 30 85.455 6.329 -1.828 224 2HA GLY 30 2HA GLY 30 85.866 7.922 -2.463 225 H LEU 31 H LEU 31 88.420 5.963 -3.214 226 HA LEU 31 HA LEU 31 89.162 5.214 -5.343 227 1HB LEU 31 1HB LEU 31 86.431 3.908 -5.097 228 2HB LEU 31 2HB LEU 31 87.773 3.319 -6.078 229 HG LEU 31 HG LEU 31 88.310 3.814 -3.187 230 1HD1 LEU 31 1HD1 LEU 31 86.721 1.457 -4.250 231 2HD1 LEU 31 2HD1 LEU 31 87.445 1.531 -2.644 232 3HD1 LEU 31 3HD1 LEU 31 86.162 2.657 -3.085 233 1HD2 LEU 31 1HD2 LEU 31 89.231 1.999 -5.395 234 2HD2 LEU 31 2HD2 LEU 31 90.188 2.998 -4.302 235 3HD2 LEU 31 3HD2 LEU 31 89.470 1.495 -3.723 236 H GLY 32 H GLY 32 87.891 7.794 -5.495 237 1HA GLY 32 1HA GLY 32 86.959 7.676 -8.296 238 2HA GLY 32 2HA GLY 32 85.840 8.381 -7.130 239 H GLY 33 H GLY 33 87.146 10.010 -5.575 240 1HA GLY 33 1HA GLY 33 87.805 12.279 -7.098 241 2HA GLY 33 2HA GLY 33 88.308 12.046 -5.424 242 H SER 34 H SER 34 90.218 13.311 -6.475 243 HA SER 34 HA SER 34 92.499 11.614 -6.621 244 1HB SER 34 1HB SER 34 92.640 12.343 -9.279 245 2HB SER 34 2HB SER 34 92.126 10.762 -8.698 246 HG SER 34 HG SER 34 90.381 11.328 -9.776 247 H GLY 35 H GLY 35 94.116 12.997 -6.014 248 1HA GLY 35 1HA GLY 35 95.150 15.185 -7.234 249 2HA GLY 35 2HA GLY 35 93.768 15.893 -6.400 250 H THR 36 H THR 36 95.927 16.981 -5.479 251 HA THR 36 HA THR 36 97.658 15.760 -3.662 252 HB THR 36 HB THR 36 96.231 18.414 -3.300 253 HG1 THR 36 HG1 THR 36 97.265 19.080 -4.990 254 1HG2 THR 36 1HG2 THR 36 97.762 17.590 -1.467 255 2HG2 THR 36 2HG2 THR 36 99.077 17.622 -2.641 256 3HG2 THR 36 3HG2 THR 36 98.254 19.118 -2.198 257 HA PRO 37 HA PRO 37 95.035 14.255 -0.455 258 1HB PRO 37 1HB PRO 37 96.869 14.141 1.575 259 2HB PRO 37 2HB PRO 37 96.828 12.973 0.240 260 1HG PRO 37 1HG PRO 37 98.596 15.337 0.631 261 2HG PRO 37 2HG PRO 37 98.981 13.732 -0.012 262 1HD PRO 37 1HD PRO 37 98.602 15.913 -1.590 263 2HD PRO 37 2HD PRO 37 98.250 14.253 -2.120 264 H VAL 38 H VAL 38 93.814 15.136 1.254 265 HA VAL 38 HA VAL 38 94.373 17.998 1.897 266 HB VAL 38 HB VAL 38 91.945 17.921 2.563 267 1HG1 VAL 38 1HG1 VAL 38 93.011 18.168 0.102 268 2HG1 VAL 38 2HG1 VAL 38 92.030 16.726 -0.164 269 3HG1 VAL 38 3HG1 VAL 38 91.271 18.220 0.387 270 1HG2 VAL 38 1HG2 VAL 38 92.315 15.259 2.850 271 2HG2 VAL 38 2HG2 VAL 38 90.731 15.970 2.545 272 3HG2 VAL 38 3HG2 VAL 38 91.661 15.284 1.213 273 H ASP 39 H ASP 39 94.062 14.811 3.337 274 HA ASP 39 HA ASP 39 94.943 15.947 5.945 275 1HB ASP 39 1HB ASP 39 92.322 15.571 5.499 276 2HB ASP 39 2HB ASP 39 92.746 13.922 5.960 277 H ASP 40 H ASP 40 95.124 13.823 7.500 278 HA ASP 40 HA ASP 40 97.169 12.161 6.305 279 1HB ASP 40 1HB ASP 40 95.979 12.745 8.876 280 2HB ASP 40 2HB ASP 40 96.173 11.002 8.693 281 H LEU 41 H LEU 41 93.840 11.424 7.459 282 HA LEU 41 HA LEU 41 93.715 8.713 6.763 283 1HB LEU 41 1HB LEU 41 92.002 10.187 7.928 284 2HB LEU 41 2HB LEU 41 91.519 10.758 6.332 285 HG LEU 41 HG LEU 41 90.989 8.455 5.650 286 1HD1 LEU 41 1HD1 LEU 41 91.833 7.779 8.484 287 2HD1 LEU 41 2HD1 LEU 41 91.006 6.665 7.397 288 3HD1 LEU 41 3HD1 LEU 41 92.621 7.247 6.999 289 1HD2 LEU 41 1HD2 LEU 41 89.357 9.966 6.969 290 2HD2 LEU 41 2HD2 LEU 41 88.972 8.247 6.875 291 3HD2 LEU 41 3HD2 LEU 41 89.696 8.910 8.340 292 H ASP 42 H ASP 42 93.452 11.562 4.674 293 HA ASP 42 HA ASP 42 92.584 10.187 2.295 294 1HB ASP 42 1HB ASP 42 92.684 12.716 2.954 295 2HB ASP 42 2HB ASP 42 94.343 12.637 2.361 296 H ARG 43 H ARG 43 95.812 11.085 3.546 297 HA ARG 43 HA ARG 43 97.450 10.257 1.429 298 1HB ARG 43 1HB ARG 43 97.612 10.323 4.425 299 2HB ARG 43 2HB ARG 43 98.930 9.568 3.530 300 1HG ARG 43 1HG ARG 43 98.309 11.981 2.183 301 2HG ARG 43 2HG ARG 43 98.385 12.366 3.903 302 1HD ARG 43 1HD ARG 43 100.603 12.475 2.632 303 2HD ARG 43 2HD ARG 43 100.614 11.464 4.081 304 HE ARG 43 HE ARG 43 99.796 9.857 1.912 305 1HH1 ARG 43 1HH1 ARG 43 102.521 11.320 3.392 306 2HH1 ARG 43 2HH1 ARG 43 103.680 10.389 2.503 307 1HH2 ARG 43 1HH2 ARG 43 101.292 8.750 0.595 308 2HH2 ARG 43 2HH2 ARG 43 102.984 8.934 0.919 309 H CYS 44 H CYS 44 95.896 8.349 3.965 310 HA CYS 44 HA CYS 44 97.087 5.841 3.414 311 1HB CYS 44 1HB CYS 44 94.285 6.483 4.371 312 2HB CYS 44 2HB CYS 44 95.174 4.996 4.683 313 H CYS 45 H CYS 45 94.124 7.364 2.159 314 HA CYS 45 HA CYS 45 93.266 5.177 0.516 315 1HB CYS 45 1HB CYS 45 92.859 8.183 0.393 316 2HB CYS 45 2HB CYS 45 91.946 7.031 -0.583 317 H GLN 46 H GLN 46 95.197 8.095 -0.244 318 HA GLN 46 HA GLN 46 95.595 7.687 -3.002 319 1HB GLN 46 1HB GLN 46 96.309 9.675 -1.767 320 2HB GLN 46 2HB GLN 46 97.461 8.715 -0.838 321 1HG GLN 46 1HG GLN 46 98.770 8.249 -2.819 322 2HG GLN 46 2HG GLN 46 97.555 8.997 -3.854 323 1HE2 GLN 46 2HE2 GLN 46 99.929 10.136 -4.230 324 2HE2 GLN 46 1HE2 GLN 46 100.086 11.603 -3.398 325 H THR 47 H THR 47 97.230 6.216 -0.227 326 HA THR 47 HA THR 47 99.274 4.840 -1.672 327 HB THR 47 HB THR 47 97.879 4.336 0.969 328 HG1 THR 47 HG1 THR 47 98.968 6.177 1.166 329 1HG2 THR 47 1HG2 THR 47 99.638 2.630 -0.460 330 2HG2 THR 47 2HG2 THR 47 100.571 3.338 0.858 331 3HG2 THR 47 3HG2 THR 47 99.084 2.455 1.205 332 H HIS 48 H HIS 48 95.918 4.064 -0.912 333 HA HIS 48 HA HIS 48 95.986 1.267 -1.577 334 1HB HIS 48 1HB HIS 48 94.210 2.520 -0.312 335 2HB HIS 48 2HB HIS 48 93.733 3.291 -1.823 336 HD1 HIS 48 HD1 HIS 48 92.381 1.906 -3.497 337 HD2 HIS 48 HD2 HIS 48 93.634 -0.311 -0.196 338 HE1 HIS 48 HE1 HIS 48 91.154 -0.307 -3.611 339 H ASP 49 H ASP 49 94.990 4.132 -3.456 340 HA ASP 49 HA ASP 49 94.494 2.834 -5.915 341 1HB ASP 49 1HB ASP 49 95.473 5.609 -5.185 342 2HB ASP 49 2HB ASP 49 94.904 5.167 -6.793 343 H ASN 50 H ASN 50 97.447 4.371 -4.650 344 HA ASN 50 HA ASN 50 99.133 3.910 -6.880 345 1HB ASN 50 1HB ASN 50 99.389 4.447 -3.956 346 2HB ASN 50 2HB ASN 50 100.837 3.898 -4.799 347 1HD2 ASN 50 2HD2 ASN 50 99.322 6.693 -3.894 348 2HD2 ASN 50 1HD2 ASN 50 99.849 7.724 -5.135 349 H CYS 51 H CYS 51 98.289 1.866 -4.105 350 HA CYS 51 HA CYS 51 100.217 -0.216 -4.620 351 1HB CYS 51 1HB CYS 51 98.799 0.361 -2.527 352 2HB CYS 51 2HB CYS 51 97.512 -0.551 -3.316 353 H TYR 52 H TYR 52 96.845 0.307 -5.638 354 HA TYR 52 HA TYR 52 96.432 -2.231 -6.902 355 1HB TYR 52 1HB TYR 52 95.287 0.538 -7.017 356 2HB TYR 52 2HB TYR 52 94.799 -0.614 -8.258 357 HD1 TYR 52 HD1 TYR 52 95.758 -2.032 -5.059 358 HD2 TYR 52 HD2 TYR 52 92.467 -0.406 -7.293 359 HE1 TYR 52 HE1 TYR 52 94.163 -3.071 -3.469 360 HE2 TYR 52 HE2 TYR 52 90.874 -1.447 -5.703 361 HH TYR 52 HH TYR 52 91.716 -3.847 -3.562 362 H LYS 53 H LYS 53 98.038 0.722 -7.933 363 HA LYS 53 HA LYS 53 98.210 0.011 -10.762 364 1HB LYS 53 1HB LYS 53 100.124 1.845 -9.330 365 2HB LYS 53 2HB LYS 53 99.408 2.031 -10.927 366 1HG LYS 53 1HG LYS 53 97.298 1.989 -9.003 367 2HG LYS 53 2HG LYS 53 98.512 3.140 -8.463 368 1HD LYS 53 1HD LYS 53 97.529 4.581 -9.911 369 2HD LYS 53 2HD LYS 53 98.371 3.667 -11.163 370 1HE LYS 53 1HE LYS 53 96.184 3.505 -11.955 371 2HE LYS 53 2HE LYS 53 96.223 2.074 -10.905 372 1HZ LYS 53 1HZ LYS 53 95.614 3.752 -9.070 373 2HZ LYS 53 2HZ LYS 53 95.107 4.747 -10.346 374 3HZ LYS 53 3HZ LYS 53 94.388 3.224 -10.121 375 H GLN 54 H GLN 54 100.491 0.136 -8.065 376 HA GLN 54 HA GLN 54 102.761 -0.988 -9.267 377 1HB GLN 54 1HB GLN 54 101.568 -1.026 -6.501 378 2HB GLN 54 2HB GLN 54 103.101 -1.838 -6.821 379 1HG GLN 54 1HG GLN 54 103.023 0.837 -7.983 380 2HG GLN 54 2HG GLN 54 102.778 0.867 -6.236 381 1HE2 GLN 54 2HE2 GLN 54 104.889 1.596 -5.627 382 2HE2 GLN 54 1HE2 GLN 54 106.296 0.694 -5.920 383 H ALA 55 H ALA 55 99.863 -2.542 -7.997 384 HA ALA 55 HA ALA 55 100.783 -5.258 -8.041 385 1HB ALA 55 1HB ALA 55 98.550 -3.875 -7.261 386 2HB ALA 55 2HB ALA 55 97.952 -4.706 -8.697 387 3HB ALA 55 3HB ALA 55 98.633 -5.634 -7.361 388 H LYS 56 H LYS 56 99.084 -3.281 -10.490 389 HA LYS 56 HA LYS 56 98.801 -5.306 -12.479 390 1HB LYS 56 1HB LYS 56 98.946 -2.307 -12.385 391 2HB LYS 56 2HB LYS 56 98.921 -3.110 -13.956 392 1HG LYS 56 1HG LYS 56 96.932 -4.187 -12.089 393 2HG LYS 56 2HG LYS 56 96.686 -2.478 -12.450 394 1HD LYS 56 1HD LYS 56 97.323 -3.643 -14.919 395 2HD LYS 56 2HD LYS 56 96.231 -4.793 -14.147 396 1HE LYS 56 1HE LYS 56 94.539 -3.088 -13.831 397 2HE LYS 56 2HE LYS 56 95.655 -1.818 -14.373 398 1HZ LYS 56 1HZ LYS 56 95.888 -3.083 -16.482 399 2HZ LYS 56 2HZ LYS 56 94.640 -4.109 -15.969 400 3HZ LYS 56 3HZ LYS 56 94.327 -2.460 -16.234 401 H LYS 57 H LYS 57 101.466 -3.020 -11.848 402 HA LYS 57 HA LYS 57 103.071 -3.615 -14.099 403 1HB LYS 57 1HB LYS 57 103.205 -2.212 -11.586 404 2HB LYS 57 2HB LYS 57 104.719 -3.077 -11.855 405 1HG LYS 57 1HG LYS 57 104.741 -2.095 -14.195 406 2HG LYS 57 2HG LYS 57 103.397 -1.067 -13.693 407 1HD LYS 57 1HD LYS 57 104.704 0.101 -12.134 408 2HD LYS 57 2HD LYS 57 105.914 -1.181 -12.046 409 1HE LYS 57 1HE LYS 57 106.948 0.530 -13.352 410 2HE LYS 57 2HE LYS 57 106.366 -0.641 -14.552 411 1HZ LYS 57 1HZ LYS 57 104.706 1.618 -13.589 412 2HZ LYS 57 2HZ LYS 57 105.708 1.748 -14.951 413 3HZ LYS 57 3HZ LYS 57 104.436 0.623 -14.939 414 H LEU 58 H LEU 58 102.739 -5.264 -10.984 415 HA LEU 58 HA LEU 58 104.999 -6.927 -11.027 416 1HB LEU 58 1HB LEU 58 102.333 -6.816 -9.805 417 2HB LEU 58 2HB LEU 58 102.972 -8.454 -9.936 418 HG LEU 58 HG LEU 58 105.176 -7.069 -9.071 419 1HD1 LEU 58 1HD1 LEU 58 102.822 -5.484 -8.458 420 2HD1 LEU 58 2HD1 LEU 58 103.626 -6.010 -6.980 421 3HD1 LEU 58 3HD1 LEU 58 104.523 -5.097 -8.194 422 1HD2 LEU 58 1HD2 LEU 58 103.146 -8.868 -7.940 423 2HD2 LEU 58 2HD2 LEU 58 104.903 -8.938 -7.812 424 3HD2 LEU 58 3HD2 LEU 58 103.981 -7.902 -6.723 425 H ASP 59 H ASP 59 105.612 -8.343 -12.623 426 HA ASP 59 HA ASP 59 104.203 -9.163 -14.869 427 1HB ASP 59 1HB ASP 59 106.642 -9.615 -13.855 428 2HB ASP 59 2HB ASP 59 105.912 -11.170 -13.455 429 H SER 60 H SER 60 104.395 -10.990 -11.786 430 HA SER 60 HA SER 60 102.772 -13.157 -12.296 431 1HB SER 60 1HB SER 60 103.575 -11.535 -10.027 432 2HB SER 60 2HB SER 60 101.950 -12.172 -9.791 433 HG SER 60 HG SER 60 104.392 -13.489 -10.025 434 H CYS 61 H CYS 61 101.734 -9.808 -11.758 435 HA CYS 61 HA CYS 61 98.881 -10.456 -11.784 436 1HB CYS 61 1HB CYS 61 100.490 -7.889 -12.003 437 2HB CYS 61 2HB CYS 61 98.735 -7.941 -11.837 438 H LYS 62 H LYS 62 101.174 -8.912 -14.056 439 HA LYS 62 HA LYS 62 99.330 -8.460 -16.189 440 1HB LYS 62 1HB LYS 62 101.683 -7.566 -15.839 441 2HB LYS 62 2HB LYS 62 102.280 -9.139 -16.372 442 1HG LYS 62 1HG LYS 62 101.310 -8.876 -18.542 443 2HG LYS 62 2HG LYS 62 100.368 -7.478 -18.025 444 1HD LYS 62 1HD LYS 62 102.077 -6.079 -18.467 445 2HD LYS 62 2HD LYS 62 103.189 -7.055 -17.505 446 1HE LYS 62 1HE LYS 62 102.620 -8.491 -19.921 447 2HE LYS 62 2HE LYS 62 103.097 -6.836 -20.347 448 1HZ LYS 62 1HZ LYS 62 104.967 -7.038 -18.802 449 2HZ LYS 62 2HZ LYS 62 104.536 -8.650 -18.481 450 3HZ LYS 62 3HZ LYS 62 105.057 -8.199 -20.035 451 H VAL 63 H VAL 63 100.728 -11.391 -14.990 452 HA VAL 63 HA VAL 63 100.102 -12.835 -17.530 453 HB VAL 63 HB VAL 63 101.592 -14.525 -16.632 454 1HG1 VAL 63 1HG1 VAL 63 102.355 -11.716 -16.821 455 2HG1 VAL 63 2HG1 VAL 63 103.434 -12.623 -15.762 456 3HG1 VAL 63 3HG1 VAL 63 103.191 -13.144 -17.429 457 1HG2 VAL 63 1HG2 VAL 63 101.523 -12.859 -14.097 458 2HG2 VAL 63 2HG2 VAL 63 100.832 -14.468 -14.303 459 3HG2 VAL 63 3HG2 VAL 63 102.580 -14.245 -14.363 460 H LEU 64 H LEU 64 98.195 -11.927 -15.231 461 HA LEU 64 HA LEU 64 97.158 -14.630 -14.465 462 1HB LEU 64 1HB LEU 64 97.153 -11.877 -13.298 463 2HB LEU 64 2HB LEU 64 95.789 -12.929 -12.917 464 HG LEU 64 HG LEU 64 98.649 -13.858 -12.631 465 1HD1 LEU 64 1HD1 LEU 64 97.331 -11.845 -11.092 466 2HD1 LEU 64 2HD1 LEU 64 97.446 -13.297 -10.099 467 3HD1 LEU 64 3HD1 LEU 64 98.903 -12.587 -10.794 468 1HD2 LEU 64 1HD2 LEU 64 96.598 -15.432 -12.708 469 2HD2 LEU 64 2HD2 LEU 64 97.707 -15.618 -11.349 470 3HD2 LEU 64 3HD2 LEU 64 96.183 -14.755 -11.134 471 H VAL 65 H VAL 65 95.636 -11.435 -15.006 472 HA VAL 65 HA VAL 65 93.979 -12.491 -17.153 473 HB VAL 65 HB VAL 65 92.974 -11.720 -14.429 474 1HG1 VAL 65 1HG1 VAL 65 91.636 -11.738 -17.068 475 2HG1 VAL 65 2HG1 VAL 65 90.754 -12.560 -15.782 476 3HG1 VAL 65 3HG1 VAL 65 91.206 -10.866 -15.596 477 1HG2 VAL 65 1HG2 VAL 65 92.902 -14.276 -16.049 478 2HG2 VAL 65 2HG2 VAL 65 93.662 -14.019 -14.479 479 3HG2 VAL 65 3HG2 VAL 65 91.903 -14.030 -14.617 480 H ASP 66 H ASP 66 95.863 -10.310 -16.466 481 HA ASP 66 HA ASP 66 96.088 -7.952 -16.733 482 1HB ASP 66 1HB ASP 66 95.041 -9.312 -18.950 483 2HB ASP 66 2HB ASP 66 94.039 -7.866 -18.807 484 H ASN 67 H ASN 67 94.464 -8.338 -14.573 485 HA ASN 67 HA ASN 67 92.785 -5.985 -14.564 486 1HB ASN 67 1HB ASN 67 91.588 -7.895 -15.925 487 2HB ASN 67 2HB ASN 67 91.239 -8.555 -14.326 488 1HD2 ASN 67 2HD2 ASN 67 88.956 -7.881 -15.478 489 2HD2 ASN 67 1HD2 ASN 67 88.375 -6.363 -14.990 490 HA PRO 68 HA PRO 68 93.995 -7.257 -10.398 491 1HB PRO 68 1HB PRO 68 94.041 -4.718 -9.385 492 2HB PRO 68 2HB PRO 68 95.387 -5.408 -10.313 493 1HG PRO 68 1HG PRO 68 93.285 -3.493 -11.165 494 2HG PRO 68 2HG PRO 68 94.988 -3.587 -11.636 495 1HD PRO 68 1HD PRO 68 92.891 -4.477 -13.181 496 2HD PRO 68 2HD PRO 68 94.566 -5.050 -13.327 497 H TYR 69 H TYR 69 91.191 -5.943 -11.716 498 HA TYR 69 HA TYR 69 89.770 -5.437 -9.188 499 1HB TYR 69 1HB TYR 69 89.343 -5.189 -12.119 500 2HB TYR 69 2HB TYR 69 87.891 -5.436 -11.148 501 HD1 TYR 69 HD1 TYR 69 91.100 -3.536 -10.617 502 HD2 TYR 69 HD2 TYR 69 86.807 -3.415 -10.703 503 HE1 TYR 69 HE1 TYR 69 91.153 -1.156 -9.925 504 HE2 TYR 69 HE2 TYR 69 86.860 -1.034 -10.009 505 HH TYR 69 HH TYR 69 88.138 0.663 -9.361 506 H THR 70 H THR 70 89.363 -7.744 -11.910 507 HA THR 70 HA THR 70 87.371 -9.369 -10.811 508 HB THR 70 HB THR 70 88.707 -11.147 -12.241 509 HG1 THR 70 HG1 THR 70 90.332 -10.328 -13.378 510 1HG2 THR 70 1HG2 THR 70 87.533 -8.576 -13.330 511 2HG2 THR 70 2HG2 THR 70 87.892 -9.992 -14.320 512 3HG2 THR 70 3HG2 THR 70 86.682 -10.095 -13.041 513 H ASN 71 H ASN 71 90.731 -9.102 -9.946 514 HA ASN 71 HA ASN 71 91.405 -11.538 -8.794 515 1HB ASN 71 1HB ASN 71 92.647 -9.289 -8.902 516 2HB ASN 71 2HB ASN 71 91.794 -8.872 -7.415 517 1HD2 ASN 71 2HD2 ASN 71 94.758 -9.752 -8.186 518 2HD2 ASN 71 1HD2 ASN 71 95.128 -10.859 -6.954 519 H ASN 72 H ASN 72 91.029 -12.511 -6.725 520 HA ASN 72 HA ASN 72 88.985 -11.280 -4.950 521 1HB ASN 72 1HB ASN 72 88.695 -13.681 -6.704 522 2HB ASN 72 2HB ASN 72 87.973 -13.767 -5.097 523 1HD2 ASN 72 2HD2 ASN 72 87.657 -12.350 -8.269 524 2HD2 ASN 72 1HD2 ASN 72 86.253 -11.451 -7.948 525 H TYR 73 H TYR 73 91.097 -11.231 -3.673 526 HA TYR 73 HA TYR 73 92.294 -13.735 -2.794 527 1HB TYR 73 1HB TYR 73 93.508 -12.198 -1.273 528 2HB TYR 73 2HB TYR 73 93.476 -11.563 -2.919 529 HD1 TYR 73 HD1 TYR 73 91.599 -11.424 0.318 530 HD2 TYR 73 HD2 TYR 73 92.634 -9.413 -3.333 531 HE1 TYR 73 HE1 TYR 73 90.465 -9.374 1.128 532 HE2 TYR 73 HE2 TYR 73 91.501 -7.361 -2.523 533 HH TYR 73 HH TYR 73 90.950 -6.428 -0.027 534 H SER 74 H SER 74 92.234 -14.453 -0.500 535 HA SER 74 HA SER 74 89.620 -13.808 0.828 536 1HB SER 74 1HB SER 74 90.567 -16.208 -0.258 537 2HB SER 74 2HB SER 74 90.812 -16.392 1.475 538 HG SER 74 HG SER 74 88.651 -15.966 1.802 539 H TYR 75 H TYR 75 89.712 -14.144 3.248 540 HA TYR 75 HA TYR 75 92.275 -14.345 4.598 541 1HB TYR 75 1HB TYR 75 92.548 -12.010 5.159 542 2HB TYR 75 2HB TYR 75 92.323 -12.101 3.410 543 HD1 TYR 75 HD1 TYR 75 89.840 -11.922 2.556 544 HD2 TYR 75 HD2 TYR 75 91.157 -10.585 6.420 545 HE1 TYR 75 HE1 TYR 75 87.844 -10.461 2.730 546 HE2 TYR 75 HE2 TYR 75 89.160 -9.125 6.595 547 HH TYR 75 HH TYR 75 87.425 -8.093 4.259 548 H SER 76 H SER 76 91.946 -13.417 6.970 549 HA SER 76 HA SER 76 89.119 -13.810 7.855 550 1HB SER 76 1HB SER 76 91.640 -15.171 8.834 551 2HB SER 76 2HB SER 76 90.125 -15.201 9.731 552 HG SER 76 HG SER 76 89.353 -16.588 8.348 553 H CYS 77 H CYS 77 88.882 -13.010 10.197 554 HA CYS 77 HA CYS 77 90.805 -10.757 10.690 555 1HB CYS 77 1HB CYS 77 88.669 -9.941 9.939 556 2HB CYS 77 2HB CYS 77 87.814 -10.986 11.063 557 H SER 78 H SER 78 90.887 -10.104 12.977 558 HA SER 78 HA SER 78 89.902 -11.502 15.208 559 1HB SER 78 1HB SER 78 92.060 -12.972 15.538 560 2HB SER 78 2HB SER 78 90.778 -13.549 14.477 561 HG SER 78 HG SER 78 93.336 -12.789 13.901 562 H ASN 79 H ASN 79 90.853 -10.725 17.150 563 HA ASN 79 HA ASN 79 91.945 -9.015 18.390 564 1HB ASN 79 1HB ASN 79 94.157 -10.278 16.737 565 2HB ASN 79 2HB ASN 79 94.410 -9.343 18.212 566 1HD2 ASN 79 2HD2 ASN 79 94.112 -12.492 17.124 567 2HD2 ASN 79 1HD2 ASN 79 93.586 -13.226 18.562 568 H ASN 80 H ASN 80 90.702 -7.755 16.304 569 HA ASN 80 HA ASN 80 90.812 -5.962 14.802 570 1HB ASN 80 1HB ASN 80 93.017 -5.114 16.672 571 2HB ASN 80 2HB ASN 80 91.823 -4.111 15.878 572 1HD2 ASN 80 2HD2 ASN 80 89.698 -6.120 16.491 573 2HD2 ASN 80 1HD2 ASN 80 89.382 -5.879 18.123 574 H GLU 81 H GLU 81 92.353 -8.194 14.027 575 HA GLU 81 HA GLU 81 94.507 -6.846 12.508 576 1HB GLU 81 1HB GLU 81 94.571 -9.383 14.121 577 2HB GLU 81 2HB GLU 81 95.741 -9.093 12.832 578 1HG GLU 81 1HG GLU 81 95.630 -6.702 14.315 579 2HG GLU 81 2HG GLU 81 95.678 -8.003 15.499 580 H ILE 82 H ILE 82 94.959 -7.832 10.447 581 HA ILE 82 HA ILE 82 92.617 -9.319 9.353 582 HB ILE 82 HB ILE 82 94.883 -7.726 8.121 583 1HG1 ILE 82 1HG1 ILE 82 91.892 -7.218 8.293 584 2HG1 ILE 82 2HG1 ILE 82 93.105 -6.447 9.316 585 1HG2 ILE 82 1HG2 ILE 82 93.761 -9.787 6.842 586 2HG2 ILE 82 2HG2 ILE 82 92.487 -8.602 6.561 587 3HG2 ILE 82 3HG2 ILE 82 94.129 -8.280 6.005 588 1HD1 ILE 82 1HD1 ILE 82 93.177 -6.300 6.295 589 2HD1 ILE 82 2HD1 ILE 82 92.372 -5.089 7.294 590 3HD1 ILE 82 3HD1 ILE 82 94.111 -5.341 7.443 591 H THR 83 H THR 83 92.842 -11.367 8.518 592 HA THR 83 HA THR 83 95.576 -12.601 8.602 593 HB THR 83 HB THR 83 92.804 -13.451 9.371 594 HG1 THR 83 HG1 THR 83 94.549 -12.763 10.813 595 1HG2 THR 83 1HG2 THR 83 94.957 -15.271 8.294 596 2HG2 THR 83 2HG2 THR 83 93.756 -15.848 9.448 597 3HG2 THR 83 3HG2 THR 83 93.244 -15.234 7.876 598 H CYS 84 H CYS 84 96.119 -12.282 6.369 599 HA CYS 84 HA CYS 84 94.178 -13.107 4.292 600 1HB CYS 84 1HB CYS 84 96.279 -11.263 4.533 601 2HB CYS 84 2HB CYS 84 96.882 -12.490 3.419 602 H SER 85 H SER 85 94.315 -15.037 3.178 603 HA SER 85 HA SER 85 95.808 -17.243 4.210 604 1HB SER 85 1HB SER 85 94.513 -18.366 2.699 605 2HB SER 85 2HB SER 85 93.718 -16.808 2.487 606 HG SER 85 HG SER 85 94.554 -16.691 0.565 607 H SER 86 H SER 86 97.957 -17.689 3.945 608 HA SER 86 HA SER 86 99.752 -16.107 2.404 609 1HB SER 86 1HB SER 86 101.339 -17.890 2.976 610 2HB SER 86 2HB SER 86 100.290 -17.568 4.353 611 HG SER 86 HG SER 86 100.687 -19.864 3.416 612 H GLU 87 H GLU 87 97.571 -18.569 1.408 613 HA GLU 87 HA GLU 87 98.904 -19.807 -0.756 614 1HB GLU 87 1HB GLU 87 96.081 -19.060 -0.058 615 2HB GLU 87 2HB GLU 87 96.410 -19.722 -1.660 616 1HG GLU 87 1HG GLU 87 97.536 -21.669 -0.599 617 2HG GLU 87 2HG GLU 87 97.116 -21.022 0.987 618 H ASN 88 H ASN 88 97.572 -16.575 -0.443 619 HA ASN 88 HA ASN 88 97.254 -15.759 -3.090 620 1HB ASN 88 1HB ASN 88 98.537 -14.227 -0.806 621 2HB ASN 88 2HB ASN 88 97.695 -13.525 -2.188 622 1HD2 ASN 88 2HD2 ASN 88 96.905 -13.205 0.638 623 2HD2 ASN 88 1HD2 ASN 88 95.357 -13.884 0.789 624 H ASN 89 H ASN 89 98.677 -15.503 -4.794 625 HA ASN 89 HA ASN 89 101.516 -16.146 -4.394 626 1HB ASN 89 1HB ASN 89 101.532 -15.972 -6.871 627 2HB ASN 89 2HB ASN 89 100.208 -16.987 -6.302 628 1HD2 ASN 89 2HD2 ASN 89 99.635 -16.096 -8.732 629 2HD2 ASN 89 1HD2 ASN 89 98.609 -14.744 -8.728 630 H ALA 90 H ALA 90 102.906 -14.574 -6.055 631 HA ALA 90 HA ALA 90 103.512 -12.230 -4.691 632 1HB ALA 90 1HB ALA 90 104.798 -13.371 -6.515 633 2HB ALA 90 2HB ALA 90 103.663 -12.695 -7.684 634 3HB ALA 90 3HB ALA 90 104.695 -11.624 -6.736 635 H CYS 91 H CYS 91 100.987 -12.730 -7.120 636 HA CYS 91 HA CYS 91 100.384 -9.847 -7.289 637 1HB CYS 91 1HB CYS 91 100.275 -11.586 -9.163 638 2HB CYS 91 2HB CYS 91 98.819 -12.199 -8.377 639 H GLU 92 H GLU 92 98.430 -12.740 -6.431 640 HA GLU 92 HA GLU 92 96.262 -11.352 -5.253 641 1HB GLU 92 1HB GLU 92 97.508 -14.061 -4.691 642 2HB GLU 92 2HB GLU 92 95.928 -13.566 -4.084 643 1HG GLU 92 1HG GLU 92 95.187 -13.161 -6.426 644 2HG GLU 92 2HG GLU 92 96.745 -13.760 -6.997 645 H ALA 93 H ALA 93 99.422 -12.208 -3.951 646 HA ALA 93 HA ALA 93 98.776 -11.610 -1.177 647 1HB ALA 93 1HB ALA 93 100.620 -13.098 -2.056 648 2HB ALA 93 2HB ALA 93 101.450 -11.646 -2.613 649 3HB ALA 93 3HB ALA 93 101.175 -11.896 -0.890 650 H PHE 94 H PHE 94 100.512 -9.849 -3.768 651 HA PHE 94 HA PHE 94 101.071 -7.478 -2.284 652 1HB PHE 94 1HB PHE 94 101.979 -8.250 -4.525 653 2HB PHE 94 2HB PHE 94 100.451 -7.736 -5.241 654 HD1 PHE 94 HD1 PHE 94 102.927 -6.361 -2.771 655 HD2 PHE 94 HD2 PHE 94 100.482 -5.629 -6.225 656 HE1 PHE 94 HE1 PHE 94 103.754 -4.025 -2.862 657 HE2 PHE 94 HE2 PHE 94 101.309 -3.294 -6.316 658 HZ PHE 94 HZ PHE 94 102.945 -2.490 -4.634 659 H ILE 95 H ILE 95 98.197 -8.522 -4.071 660 HA ILE 95 HA ILE 95 96.813 -5.997 -4.046 661 HB ILE 95 HB ILE 95 95.913 -8.892 -4.170 662 1HG1 ILE 95 1HG1 ILE 95 97.406 -8.071 -6.000 663 2HG1 ILE 95 2HG1 ILE 95 95.788 -8.474 -6.577 664 1HG2 ILE 95 1HG2 ILE 95 94.402 -6.362 -4.076 665 2HG2 ILE 95 2HG2 ILE 95 93.982 -7.404 -5.436 666 3HG2 ILE 95 3HG2 ILE 95 93.853 -8.014 -3.787 667 1HD1 ILE 95 1HD1 ILE 95 95.248 -5.969 -6.144 668 2HD1 ILE 95 2HD1 ILE 95 96.997 -5.752 -6.124 669 3HD1 ILE 95 3HD1 ILE 95 96.203 -6.379 -7.569 670 H CYS 96 H CYS 96 96.550 -8.876 -1.926 671 HA CYS 96 HA CYS 96 94.630 -7.875 -0.108 672 1HB CYS 96 1HB CYS 96 95.289 -10.178 -0.082 673 2HB CYS 96 2HB CYS 96 96.988 -9.760 0.138 674 H ASN 97 H ASN 97 98.068 -7.210 -0.412 675 HA ASN 97 HA ASN 97 98.457 -5.999 2.180 676 1HB ASN 97 1HB ASN 97 99.839 -6.084 -0.482 677 2HB ASN 97 2HB ASN 97 100.393 -4.920 0.719 678 1HD2 ASN 97 2HD2 ASN 97 102.274 -6.743 0.205 679 2HD2 ASN 97 1HD2 ASN 97 102.349 -7.944 1.396 680 H CYS 98 H CYS 98 97.404 -4.776 -0.978 681 HA CYS 98 HA CYS 98 97.541 -1.970 -0.347 682 1HB CYS 98 1HB CYS 98 95.635 -3.400 -2.222 683 2HB CYS 98 2HB CYS 98 96.242 -1.751 -2.372 684 H ASP 99 H ASP 99 94.826 -4.304 -0.273 685 HA ASP 99 HA ASP 99 92.897 -2.444 0.796 686 1HB ASP 99 1HB ASP 99 93.100 -5.475 0.854 687 2HB ASP 99 2HB ASP 99 91.637 -4.559 1.214 688 H ARG 100 H ARG 100 95.085 -4.824 2.275 689 HA ARG 100 HA ARG 100 94.129 -4.483 4.982 690 1HB ARG 100 1HB ARG 100 95.500 -6.367 3.841 691 2HB ARG 100 2HB ARG 100 96.899 -5.333 4.127 692 1HG ARG 100 1HG ARG 100 95.922 -5.219 6.580 693 2HG ARG 100 2HG ARG 100 95.139 -6.727 6.112 694 1HD ARG 100 1HD ARG 100 97.859 -6.851 5.231 695 2HD ARG 100 2HD ARG 100 97.846 -6.371 6.936 696 HE ARG 100 HE ARG 100 95.935 -8.401 6.633 697 1HH1 ARG 100 1HH1 ARG 100 98.964 -8.492 5.238 698 2HH1 ARG 100 2HH1 ARG 100 99.532 -9.869 6.122 699 1HH2 ARG 100 1HH2 ARG 100 96.806 -9.953 8.262 700 2HH2 ARG 100 2HH2 ARG 100 98.312 -10.696 7.833 701 H ASN 101 H ASN 101 96.872 -3.104 3.153 702 HA ASN 101 HA ASN 101 97.992 -1.577 5.299 703 1HB ASN 101 1HB ASN 101 98.023 -1.493 2.290 704 2HB ASN 101 2HB ASN 101 98.824 -0.222 3.210 705 1HD2 ASN 101 2HD2 ASN 101 100.673 -1.483 1.885 706 2HD2 ASN 101 1HD2 ASN 101 101.457 -2.694 2.771 707 H ALA 102 H ALA 102 95.383 -0.887 2.997 708 HA ALA 102 HA ALA 102 95.140 1.926 3.622 709 1HB ALA 102 1HB ALA 102 93.878 -0.128 2.006 710 2HB ALA 102 2HB ALA 102 92.660 0.896 2.764 711 3HB ALA 102 3HB ALA 102 93.910 1.615 1.749 712 H ALA 103 H ALA 103 93.226 -0.934 4.637 713 HA ALA 103 HA ALA 103 91.529 0.436 6.477 714 1HB ALA 103 1HB ALA 103 91.222 -1.856 5.543 715 2HB ALA 103 2HB ALA 103 92.578 -2.413 6.523 716 3HB ALA 103 3HB ALA 103 91.104 -1.839 7.302 717 H ILE 104 H ILE 104 94.784 -0.902 6.811 718 HA ILE 104 HA ILE 104 94.945 -0.747 9.687 719 HB ILE 104 HB ILE 104 96.904 -0.851 7.386 720 1HG1 ILE 104 1HG1 ILE 104 96.401 -2.850 9.602 721 2HG1 ILE 104 2HG1 ILE 104 95.449 -2.838 8.116 722 1HG2 ILE 104 1HG2 ILE 104 97.395 -0.213 10.228 723 2HG2 ILE 104 2HG2 ILE 104 98.383 -1.529 9.590 724 3HG2 ILE 104 3HG2 ILE 104 98.422 0.057 8.820 725 1HD1 ILE 104 1HD1 ILE 104 97.723 -2.882 6.887 726 2HD1 ILE 104 2HD1 ILE 104 98.404 -3.355 8.444 727 3HD1 ILE 104 3HD1 ILE 104 97.193 -4.373 7.666 728 H CYS 105 H CYS 105 95.661 1.533 7.062 729 HA CYS 105 HA CYS 105 96.969 3.522 8.690 730 1HB CYS 105 1HB CYS 105 96.824 3.133 6.105 731 2HB CYS 105 2HB CYS 105 95.336 4.071 6.219 732 H PHE 106 H PHE 106 93.586 3.113 7.596 733 HA PHE 106 HA PHE 106 92.437 5.442 8.645 734 1HB PHE 106 1HB PHE 106 91.344 2.611 8.586 735 2HB PHE 106 2HB PHE 106 90.377 4.080 8.663 736 HD1 PHE 106 HD1 PHE 106 92.682 5.414 6.736 737 HD2 PHE 106 HD2 PHE 106 89.968 2.092 6.512 738 HE1 PHE 106 HE1 PHE 106 92.699 5.561 4.260 739 HE2 PHE 106 HE2 PHE 106 89.991 2.238 4.039 740 HZ PHE 106 HZ PHE 106 91.358 3.974 2.912 741 H SER 107 H SER 107 93.134 2.338 10.219 742 HA SER 107 HA SER 107 92.006 3.129 12.795 743 1HB SER 107 1HB SER 107 92.645 0.930 13.417 744 2HB SER 107 2HB SER 107 92.279 0.801 11.698 745 HG SER 107 HG SER 107 94.478 0.926 11.264 746 H LYS 108 H LYS 108 95.045 3.608 11.215 747 HA LYS 108 HA LYS 108 96.467 4.048 13.793 748 1HB LYS 108 1HB LYS 108 97.177 3.666 10.902 749 2HB LYS 108 2HB LYS 108 98.335 4.477 11.958 750 1HG LYS 108 1HG LYS 108 97.828 2.442 13.565 751 2HG LYS 108 2HG LYS 108 97.324 1.654 12.069 752 1HD LYS 108 1HD LYS 108 99.912 3.121 11.997 753 2HD LYS 108 2HD LYS 108 99.876 1.622 12.924 754 1HE LYS 108 1HE LYS 108 99.569 0.316 11.053 755 2HE LYS 108 2HE LYS 108 98.602 1.552 10.225 756 1HZ LYS 108 1HZ LYS 108 100.891 2.844 10.433 757 2HZ LYS 108 2HZ LYS 108 101.504 1.261 10.378 758 3HZ LYS 108 3HZ LYS 108 100.540 1.847 9.108 759 H VAL 109 H VAL 109 94.688 5.785 11.474 760 HA VAL 109 HA VAL 109 95.991 8.353 12.321 761 HB VAL 109 HB VAL 109 95.331 9.182 10.099 762 1HG1 VAL 109 1HG1 VAL 109 97.488 7.946 10.390 763 2HG1 VAL 109 2HG1 VAL 109 96.668 6.468 9.888 764 3HG1 VAL 109 3HG1 VAL 109 96.834 7.812 8.758 765 1HG2 VAL 109 1HG2 VAL 109 93.693 6.757 10.188 766 2HG2 VAL 109 2HG2 VAL 109 93.508 8.197 9.186 767 3HG2 VAL 109 3HG2 VAL 109 94.594 6.904 8.679 768 HA PRO 110 HA PRO 110 92.077 9.598 13.862 769 1HB PRO 110 1HB PRO 110 92.091 12.279 13.319 770 2HB PRO 110 2HB PRO 110 93.099 11.543 14.581 771 1HG PRO 110 1HG PRO 110 93.841 12.430 11.844 772 2HG PRO 110 2HG PRO 110 94.769 12.509 13.348 773 1HD PRO 110 1HD PRO 110 95.164 10.629 11.389 774 2HD PRO 110 2HD PRO 110 95.594 10.398 13.098 775 H TYR 111 H TYR 111 89.997 10.792 13.178 776 HA TYR 111 HA TYR 111 89.566 10.497 10.220 777 1HB TYR 111 1HB TYR 111 88.479 8.722 11.452 778 2HB TYR 111 2HB TYR 111 87.821 9.868 12.621 779 HD1 TYR 111 HD1 TYR 111 87.902 9.423 8.887 780 HD2 TYR 111 HD2 TYR 111 85.584 10.445 12.357 781 HE1 TYR 111 HE1 TYR 111 85.900 9.740 7.458 782 HE2 TYR 111 HE2 TYR 111 83.582 10.761 10.927 783 HH TYR 111 HH TYR 111 82.995 11.183 8.656 784 H ASN 112 H ASN 112 88.465 12.211 9.216 785 HA ASN 112 HA ASN 112 87.688 14.499 10.995 786 1HB ASN 112 1HB ASN 112 88.993 14.326 8.271 787 2HB ASN 112 2HB ASN 112 88.316 15.829 8.895 788 1HD2 ASN 112 2HD2 ASN 112 90.745 13.298 9.654 789 2HD2 ASN 112 1HD2 ASN 112 91.721 14.304 10.612 790 H LYS 113 H LYS 113 85.526 14.943 10.912 791 HA LYS 113 HA LYS 113 83.851 13.766 8.780 792 1HB LYS 113 1HB LYS 113 82.032 14.542 10.246 793 2HB LYS 113 2HB LYS 113 83.257 13.707 11.202 794 1HG LYS 113 1HG LYS 113 84.130 16.359 11.140 795 2HG LYS 113 2HG LYS 113 82.382 16.480 11.352 796 1HD LYS 113 1HD LYS 113 82.920 14.471 13.087 797 2HD LYS 113 2HD LYS 113 84.435 15.368 13.183 798 1HE LYS 113 1HE LYS 113 82.363 17.309 13.221 799 2HE LYS 113 2HE LYS 113 81.900 16.037 14.371 800 1HZ LYS 113 1HZ LYS 113 84.131 16.116 15.300 801 2HZ LYS 113 2HZ LYS 113 84.564 17.348 14.217 802 3HZ LYS 113 3HZ LYS 113 83.390 17.640 15.411 803 H GLU 114 H GLU 114 85.336 16.799 9.548 804 HA GLU 114 HA GLU 114 83.488 18.487 8.109 805 1HB GLU 114 1HB GLU 114 85.942 18.664 9.678 806 2HB GLU 114 2HB GLU 114 85.950 19.776 8.308 807 1HG GLU 114 1HG GLU 114 84.931 20.928 10.170 808 2HG GLU 114 2HG GLU 114 83.650 20.536 9.023 809 H HIS 115 H HIS 115 86.665 17.044 7.398 810 HA HIS 115 HA HIS 115 86.905 18.207 4.760 811 1HB HIS 115 1HB HIS 115 88.165 15.781 6.083 812 2HB HIS 115 2HB HIS 115 88.749 16.536 4.600 813 HD1 HIS 115 HD1 HIS 115 88.637 19.476 5.244 814 HD2 HIS 115 HD2 HIS 115 89.945 16.651 8.017 815 HE1 HIS 115 HE1 HIS 115 90.067 20.726 6.920 816 H LYS 116 H LYS 116 84.765 15.900 5.916 817 HA LYS 116 HA LYS 116 84.790 13.932 3.831 818 1HB LYS 116 1HB LYS 116 83.708 13.394 5.848 819 2HB LYS 116 2HB LYS 116 82.896 14.958 5.935 820 1HG LYS 116 1HG LYS 116 81.414 14.365 4.126 821 2HG LYS 116 2HG LYS 116 82.307 12.875 3.821 822 1HD LYS 116 1HD LYS 116 81.505 13.023 6.601 823 2HD LYS 116 2HD LYS 116 80.105 13.196 5.541 824 1HE LYS 116 1HE LYS 116 80.381 11.076 4.605 825 2HE LYS 116 2HE LYS 116 82.120 11.040 4.955 826 1HZ LYS 116 1HZ LYS 116 81.484 11.116 7.362 827 2HZ LYS 116 2HZ LYS 116 79.882 10.823 6.889 828 3HZ LYS 116 3HZ LYS 116 81.087 9.669 6.566 829 H ASN 117 H ASN 117 83.394 13.813 1.975 830 HA ASN 117 HA ASN 117 82.461 14.795 0.024 831 1HB ASN 117 1HB ASN 117 80.922 15.725 2.438 832 2HB ASN 117 2HB ASN 117 80.433 16.265 0.831 833 1HD2 ASN 117 2HD2 ASN 117 79.017 14.355 2.690 834 2HD2 ASN 117 1HD2 ASN 117 78.827 12.924 1.796 835 H LEU 118 H LEU 118 84.817 16.111 0.472 836 HA LEU 118 HA LEU 118 84.485 18.933 0.879 837 1HB LEU 118 1HB LEU 118 86.532 18.039 1.533 838 2HB LEU 118 2HB LEU 118 86.569 16.925 0.182 839 HG LEU 118 HG LEU 118 86.878 18.935 -1.308 840 1HD1 LEU 118 1HD1 LEU 118 86.340 20.355 0.980 841 2HD1 LEU 118 2HD1 LEU 118 88.104 20.394 0.953 842 3HD1 LEU 118 3HD1 LEU 118 87.186 21.024 -0.416 843 1HD2 LEU 118 1HD2 LEU 118 88.998 18.199 0.721 844 2HD2 LEU 118 2HD2 LEU 118 88.699 17.398 -0.822 845 3HD2 LEU 118 3HD2 LEU 118 89.319 19.048 -0.791 846 H ASP 119 H ASP 119 85.358 20.396 -0.945 847 HA ASP 119 HA ASP 119 83.825 19.864 -3.404 848 1HB ASP 119 1HB ASP 119 83.856 22.043 -2.148 849 2HB ASP 119 2HB ASP 119 85.554 22.220 -2.591 850 H LYS 120 H LYS 120 84.775 18.907 -5.154 851 HA LYS 120 HA LYS 120 87.352 17.972 -5.436 852 1HB LYS 120 1HB LYS 120 85.375 19.117 -7.416 853 2HB LYS 120 2HB LYS 120 86.875 18.356 -7.946 854 1HG LYS 120 1HG LYS 120 85.232 16.858 -5.962 855 2HG LYS 120 2HG LYS 120 84.610 16.952 -7.611 856 1HD LYS 120 1HD LYS 120 86.982 16.249 -8.347 857 2HD LYS 120 2HD LYS 120 87.227 15.789 -6.663 858 1HE LYS 120 1HE LYS 120 86.068 13.870 -6.979 859 2HE LYS 120 2HE LYS 120 84.679 14.777 -7.613 860 1HZ LYS 120 1HZ LYS 120 86.269 15.083 -9.646 861 2HZ LYS 120 2HZ LYS 120 86.983 13.662 -9.055 862 3HZ LYS 120 3HZ LYS 120 85.340 13.669 -9.490 863 H LYS 121 H LYS 121 86.257 21.285 -5.721 864 HA LYS 121 HA LYS 121 88.472 22.408 -7.136 865 1HB LYS 121 1HB LYS 121 86.228 23.250 -5.410 866 2HB LYS 121 2HB LYS 121 87.593 24.366 -5.442 867 1HG LYS 121 1HG LYS 121 87.517 24.399 -7.903 868 2HG LYS 121 2HG LYS 121 86.159 23.273 -7.877 869 1HD LYS 121 1HD LYS 121 85.745 25.619 -6.163 870 2HD LYS 121 2HD LYS 121 85.939 26.029 -7.867 871 1HE LYS 121 1HE LYS 121 84.217 24.212 -8.379 872 2HE LYS 121 2HE LYS 121 83.889 24.167 -6.636 873 1HZ LYS 121 1HZ LYS 121 83.766 26.699 -6.844 874 2HZ LYS 121 2HZ LYS 121 83.578 26.432 -8.509 875 3HZ LYS 121 3HZ LYS 121 82.443 25.797 -7.415 876 H ASN 122 H ASN 122 88.245 21.092 -4.024 877 HA ASN 122 HA ASN 122 90.606 22.578 -2.974 878 1HB ASN 122 1HB ASN 122 88.395 20.849 -1.944 879 2HB ASN 122 2HB ASN 122 89.917 20.823 -1.061 880 1HD2 ASN 122 2HD2 ASN 122 87.209 22.899 -2.036 881 2HD2 ASN 122 1HD2 ASN 122 87.573 24.173 -0.975 882 H CYS 123 H CYS 123 89.744 19.856 -4.710 883 HA CYS 123 HA CYS 123 91.987 18.146 -3.810 884 1HB CYS 123 1HB CYS 123 89.451 17.962 -5.358 885 2HB CYS 123 2HB CYS 123 90.713 16.821 -5.777 Start of MODEL 3 1 1H ALA 1 1H ALA 1 85.483 -5.681 -8.134 2 2H ALA 1 2H ALA 1 83.915 -5.934 -8.731 3 3H ALA 1 3H ALA 1 84.250 -4.568 -7.777 4 HA ALA 1 HA ALA 1 83.136 -6.087 -6.357 5 1HB ALA 1 1HB ALA 1 85.105 -8.022 -7.614 6 2HB ALA 1 2HB ALA 1 84.060 -8.443 -6.258 7 3HB ALA 1 3HB ALA 1 83.352 -8.008 -7.813 8 H LEU 2 H LEU 2 84.895 -4.115 -5.730 9 HA LEU 2 HA LEU 2 87.210 -5.193 -4.261 10 1HB LEU 2 1HB LEU 2 86.029 -2.535 -4.976 11 2HB LEU 2 2HB LEU 2 87.162 -2.605 -3.626 12 HG LEU 2 HG LEU 2 88.567 -4.067 -5.363 13 1HD1 LEU 2 1HD1 LEU 2 86.486 -3.518 -6.976 14 2HD1 LEU 2 2HD1 LEU 2 87.464 -2.086 -7.296 15 3HD1 LEU 2 3HD1 LEU 2 88.129 -3.693 -7.590 16 1HD2 LEU 2 1HD2 LEU 2 88.396 -1.180 -4.755 17 2HD2 LEU 2 2HD2 LEU 2 89.788 -2.261 -4.697 18 3HD2 LEU 2 3HD2 LEU 2 89.274 -1.568 -6.235 19 H TRP 3 H TRP 3 83.967 -5.110 -3.620 20 HA TRP 3 HA TRP 3 83.511 -3.990 -1.122 21 1HB TRP 3 1HB TRP 3 81.861 -5.792 -0.867 22 2HB TRP 3 2HB TRP 3 81.911 -5.261 -2.548 23 HD1 TRP 3 HD1 TRP 3 83.193 -6.848 -4.304 24 HE1 TRP 3 HE1 TRP 3 83.636 -9.389 -4.265 25 HE3 TRP 3 HE3 TRP 3 82.337 -7.823 0.637 26 HZ2 TRP 3 HZ2 TRP 3 83.630 -11.545 -2.392 27 HZ3 TRP 3 HZ3 TRP 3 82.563 -10.128 1.519 28 HH2 TRP 3 HH2 TRP 3 83.209 -11.988 0.011 29 H GLN 4 H GLN 4 85.400 -6.896 -1.860 30 HA GLN 4 HA GLN 4 85.665 -8.030 0.711 31 1HB GLN 4 1HB GLN 4 87.325 -7.828 -1.779 32 2HB GLN 4 2HB GLN 4 88.062 -8.530 -0.339 33 1HG GLN 4 1HG GLN 4 85.391 -9.582 -0.713 34 2HG GLN 4 2HG GLN 4 86.359 -9.829 -2.167 35 1HE2 GLN 4 2HE2 GLN 4 85.853 -12.179 -1.000 36 2HE2 GLN 4 1HE2 GLN 4 87.151 -12.741 -0.061 37 H PHE 5 H PHE 5 87.213 -5.200 -0.716 38 HA PHE 5 HA PHE 5 89.234 -4.796 1.293 39 1HB PHE 5 1HB PHE 5 89.230 -3.764 -0.940 40 2HB PHE 5 2HB PHE 5 87.750 -2.891 -0.548 41 HD1 PHE 5 HD1 PHE 5 90.369 -3.460 1.967 42 HD2 PHE 5 HD2 PHE 5 88.765 -0.684 -0.890 43 HE1 PHE 5 HE1 PHE 5 91.712 -1.640 2.981 44 HE2 PHE 5 HE2 PHE 5 90.109 1.137 0.125 45 HZ PHE 5 HZ PHE 5 91.583 0.658 2.061 46 H ASN 6 H ASN 6 85.834 -3.842 1.027 47 HA ASN 6 HA ASN 6 85.778 -1.991 3.225 48 1HB ASN 6 1HB ASN 6 83.938 -3.465 1.459 49 2HB ASN 6 2HB ASN 6 83.265 -3.123 3.054 50 1HD2 ASN 6 2HD2 ASN 6 83.398 -0.765 3.773 51 2HD2 ASN 6 1HD2 ASN 6 83.312 0.441 2.581 52 H GLY 7 H GLY 7 85.290 -5.511 3.008 53 1HA GLY 7 1HA GLY 7 84.417 -5.929 5.693 54 2HA GLY 7 2HA GLY 7 85.203 -7.148 4.689 55 H MET 8 H MET 8 87.637 -5.631 4.264 56 HA MET 8 HA MET 8 89.103 -6.416 6.636 57 1HB MET 8 1HB MET 8 89.652 -4.982 4.046 58 2HB MET 8 2HB MET 8 90.902 -5.051 5.288 59 1HG MET 8 1HG MET 8 90.394 -7.601 5.343 60 2HG MET 8 2HG MET 8 89.622 -7.322 3.782 61 1HE MET 8 1HE MET 8 91.742 -9.190 4.534 62 2HE MET 8 2HE MET 8 91.813 -9.184 2.774 63 3HE MET 8 3HE MET 8 93.292 -8.979 3.709 64 H ILE 9 H ILE 9 87.930 -3.315 5.355 65 HA ILE 9 HA ILE 9 89.276 -1.673 7.340 66 HB ILE 9 HB ILE 9 86.855 -1.189 5.569 67 1HG1 ILE 9 1HG1 ILE 9 89.809 -0.636 5.139 68 2HG1 ILE 9 2HG1 ILE 9 88.848 -1.845 4.288 69 1HG2 ILE 9 1HG2 ILE 9 88.733 0.737 6.974 70 2HG2 ILE 9 2HG2 ILE 9 87.465 1.200 5.838 71 3HG2 ILE 9 3HG2 ILE 9 87.039 0.460 7.381 72 1HD1 ILE 9 1HD1 ILE 9 88.307 1.139 4.249 73 2HD1 ILE 9 2HD1 ILE 9 89.108 0.241 2.960 74 3HD1 ILE 9 3HD1 ILE 9 87.421 -0.091 3.347 75 H LYS 10 H LYS 10 86.128 -3.255 7.093 76 HA LYS 10 HA LYS 10 84.923 -1.925 9.369 77 1HB LYS 10 1HB LYS 10 84.391 -4.260 7.574 78 2HB LYS 10 2HB LYS 10 83.473 -4.145 9.075 79 1HG LYS 10 1HG LYS 10 82.897 -1.767 8.430 80 2HG LYS 10 2HG LYS 10 83.617 -2.094 6.853 81 1HD LYS 10 1HD LYS 10 81.730 -4.171 7.702 82 2HD LYS 10 2HD LYS 10 80.980 -2.583 7.535 83 1HE LYS 10 1HE LYS 10 81.166 -2.625 5.268 84 2HE LYS 10 2HE LYS 10 82.834 -3.230 5.340 85 1HZ LYS 10 1HZ LYS 10 80.407 -4.855 5.895 86 2HZ LYS 10 2HZ LYS 10 81.292 -4.900 4.445 87 3HZ LYS 10 3HZ LYS 10 82.011 -5.414 5.892 88 H CYS 11 H CYS 11 86.716 -4.973 8.926 89 HA CYS 11 HA CYS 11 86.239 -5.990 11.557 90 1HB CYS 11 1HB CYS 11 87.080 -7.092 9.353 91 2HB CYS 11 2HB CYS 11 88.672 -6.541 9.870 92 H LYS 12 H LYS 12 88.741 -3.940 10.136 93 HA LYS 12 HA LYS 12 90.533 -3.939 12.390 94 1HB LYS 12 1HB LYS 12 90.022 -2.117 10.030 95 2HB LYS 12 2HB LYS 12 91.323 -1.812 11.181 96 1HG LYS 12 1HG LYS 12 91.427 -4.573 10.456 97 2HG LYS 12 2HG LYS 12 91.317 -3.627 8.972 98 1HD LYS 12 1HD LYS 12 93.642 -3.737 9.438 99 2HD LYS 12 2HD LYS 12 93.151 -2.136 9.989 100 1HE LYS 12 1HE LYS 12 92.694 -3.760 12.214 101 2HE LYS 12 2HE LYS 12 94.229 -4.353 11.548 102 1HZ LYS 12 1HZ LYS 12 94.633 -1.795 11.229 103 2HZ LYS 12 2HZ LYS 12 93.537 -1.675 12.521 104 3HZ LYS 12 3HZ LYS 12 94.982 -2.550 12.707 105 H ILE 13 H ILE 13 87.873 -1.740 11.429 106 HA ILE 13 HA ILE 13 88.083 -0.484 14.150 107 HB ILE 13 HB ILE 13 87.301 0.619 11.439 108 1HG1 ILE 13 1HG1 ILE 13 89.365 1.786 13.269 109 2HG1 ILE 13 2HG1 ILE 13 89.773 0.320 12.378 110 1HG2 ILE 13 1HG2 ILE 13 86.528 1.465 14.117 111 2HG2 ILE 13 2HG2 ILE 13 87.442 2.720 13.278 112 3HG2 ILE 13 3HG2 ILE 13 85.974 2.065 12.554 113 1HD1 ILE 13 1HD1 ILE 13 88.737 1.673 10.343 114 2HD1 ILE 13 2HD1 ILE 13 89.167 3.061 11.341 115 3HD1 ILE 13 3HD1 ILE 13 90.413 1.921 10.831 116 HA PRO 14 HA PRO 14 83.973 -2.436 14.085 117 1HB PRO 14 1HB PRO 14 83.898 -2.915 16.773 118 2HB PRO 14 2HB PRO 14 84.714 -3.995 15.625 119 1HG PRO 14 1HG PRO 14 85.866 -1.985 17.478 120 2HG PRO 14 2HG PRO 14 86.513 -3.548 16.960 121 1HD PRO 14 1HD PRO 14 87.330 -1.097 15.981 122 2HD PRO 14 2HD PRO 14 87.544 -2.649 15.144 123 H SER 15 H SER 15 85.290 0.101 16.170 124 HA SER 15 HA SER 15 82.768 1.037 17.218 125 1HB SER 15 1HB SER 15 84.246 3.083 17.683 126 2HB SER 15 2HB SER 15 84.803 1.553 18.353 127 HG SER 15 HG SER 15 86.481 1.654 17.097 128 H SER 16 H SER 16 84.818 2.157 14.499 129 HA SER 16 HA SER 16 82.612 3.978 13.650 130 1HB SER 16 1HB SER 16 85.485 4.014 13.693 131 2HB SER 16 2HB SER 16 84.942 4.191 12.026 132 HG SER 16 HG SER 16 84.332 6.132 12.515 133 H GLU 17 H GLU 17 81.992 3.977 11.355 134 HA GLU 17 HA GLU 17 82.287 1.272 10.097 135 1HB GLU 17 1HB GLU 17 80.115 3.360 10.209 136 2HB GLU 17 2HB GLU 17 80.114 2.140 8.936 137 1HG GLU 17 1HG GLU 17 78.766 1.408 10.876 138 2HG GLU 17 2HG GLU 17 80.158 0.353 10.628 139 HA PRO 18 HA PRO 18 84.466 3.450 6.907 140 1HB PRO 18 1HB PRO 18 84.647 1.369 5.144 141 2HB PRO 18 2HB PRO 18 85.657 1.496 6.597 142 1HG PRO 18 1HG PRO 18 83.249 -0.170 6.106 143 2HG PRO 18 2HG PRO 18 84.705 -0.535 7.043 144 1HD PRO 18 1HD PRO 18 82.301 0.213 8.143 145 2HD PRO 18 2HD PRO 18 83.876 0.417 8.936 146 H LEU 19 H LEU 19 81.268 2.403 6.794 147 HA LEU 19 HA LEU 19 80.905 3.362 3.977 148 1HB LEU 19 1HB LEU 19 79.567 1.380 5.778 149 2HB LEU 19 2HB LEU 19 78.582 2.176 4.550 150 HG LEU 19 HG LEU 19 81.232 1.072 3.719 151 1HD1 LEU 19 1HD1 LEU 19 78.881 -0.519 4.646 152 2HD1 LEU 19 2HD1 LEU 19 79.710 -1.062 3.188 153 3HD1 LEU 19 3HD1 LEU 19 80.598 -0.916 4.704 154 1HD2 LEU 19 1HD2 LEU 19 79.192 2.334 2.421 155 2HD2 LEU 19 2HD2 LEU 19 80.317 1.229 1.632 156 3HD2 LEU 19 3HD2 LEU 19 78.743 0.646 2.174 157 H LEU 20 H LEU 20 80.594 4.367 7.170 158 HA LEU 20 HA LEU 20 78.323 6.208 6.490 159 1HB LEU 20 1HB LEU 20 79.368 5.122 9.125 160 2HB LEU 20 2HB LEU 20 78.044 6.277 8.982 161 HG LEU 20 HG LEU 20 78.049 3.576 7.615 162 1HD1 LEU 20 1HD1 LEU 20 78.002 3.813 10.292 163 2HD1 LEU 20 2HD1 LEU 20 76.301 4.144 9.962 164 3HD1 LEU 20 3HD1 LEU 20 77.020 2.621 9.439 165 1HD2 LEU 20 1HD2 LEU 20 76.485 5.892 7.286 166 2HD2 LEU 20 2HD2 LEU 20 76.118 4.278 6.677 167 3HD2 LEU 20 3HD2 LEU 20 75.489 4.795 8.241 168 H ASP 21 H ASP 21 81.631 5.966 7.658 169 HA ASP 21 HA ASP 21 81.855 8.942 7.473 170 1HB ASP 21 1HB ASP 21 81.849 7.327 9.823 171 2HB ASP 21 2HB ASP 21 83.496 7.917 9.594 172 H PHE 22 H PHE 22 82.696 7.155 5.470 173 HA PHE 22 HA PHE 22 85.612 7.650 5.491 174 1HB PHE 22 1HB PHE 22 84.272 5.001 5.816 175 2HB PHE 22 2HB PHE 22 85.697 5.057 4.779 176 HD1 PHE 22 HD1 PHE 22 87.831 6.145 5.721 177 HD2 PHE 22 HD2 PHE 22 84.494 4.986 8.165 178 HE1 PHE 22 HE1 PHE 22 89.288 6.172 7.727 179 HE2 PHE 22 HE2 PHE 22 85.953 5.013 10.170 180 HZ PHE 22 HZ PHE 22 88.350 5.606 9.951 181 H ASN 23 H ASN 23 82.907 6.031 3.799 182 HA ASN 23 HA ASN 23 83.975 5.954 1.190 183 1HB ASN 23 1HB ASN 23 81.322 5.997 2.510 184 2HB ASN 23 2HB ASN 23 81.317 6.433 0.800 185 1HD2 ASN 23 2HD2 ASN 23 83.701 4.205 2.199 186 2HD2 ASN 23 1HD2 ASN 23 83.133 2.819 1.398 187 H ASN 24 H ASN 24 83.757 7.432 -0.601 188 HA ASN 24 HA ASN 24 84.092 9.601 -1.511 189 1HB ASN 24 1HB ASN 24 81.546 9.014 -1.062 190 2HB ASN 24 2HB ASN 24 81.671 10.336 0.098 191 1HD2 ASN 24 2HD2 ASN 24 82.236 9.572 -3.368 192 2HD2 ASN 24 1HD2 ASN 24 81.998 11.160 -3.914 193 H TYR 25 H TYR 25 85.991 9.742 0.193 194 HA TYR 25 HA TYR 25 85.510 12.188 1.851 195 1HB TYR 25 1HB TYR 25 85.374 10.211 3.283 196 2HB TYR 25 2HB TYR 25 86.891 9.597 2.625 197 HD1 TYR 25 HD1 TYR 25 89.037 10.650 3.193 198 HD2 TYR 25 HD2 TYR 25 85.339 12.058 4.865 199 HE1 TYR 25 HE1 TYR 25 90.297 11.929 4.905 200 HE2 TYR 25 HE2 TYR 25 86.599 13.337 6.575 201 HH TYR 25 HH TYR 25 90.166 13.288 6.643 202 H GLY 26 H GLY 26 87.443 13.497 2.105 203 1HA GLY 26 1HA GLY 26 89.397 14.477 1.221 204 2HA GLY 26 2HA GLY 26 90.059 12.850 1.369 205 H CYS 27 H CYS 27 91.254 13.536 -0.613 206 HA CYS 27 HA CYS 27 89.668 13.682 -3.108 207 1HB CYS 27 1HB CYS 27 92.667 13.676 -2.661 208 2HB CYS 27 2HB CYS 27 91.807 14.266 -4.084 209 H TYR 28 H TYR 28 91.538 11.311 -1.307 210 HA TYR 28 HA TYR 28 91.561 9.506 -3.686 211 1HB TYR 28 1HB TYR 28 93.033 9.613 -1.049 212 2HB TYR 28 2HB TYR 28 93.132 8.213 -2.120 213 HD1 TYR 28 HD1 TYR 28 93.832 8.604 -4.557 214 HD2 TYR 28 HD2 TYR 28 94.345 11.539 -1.463 215 HE1 TYR 28 HE1 TYR 28 95.506 9.785 -5.955 216 HE2 TYR 28 HE2 TYR 28 96.018 12.721 -2.862 217 HH TYR 28 HH TYR 28 97.588 11.442 -5.324 218 H CYS 29 H CYS 29 90.445 9.639 -0.287 219 HA CYS 29 HA CYS 29 89.409 6.949 -0.237 220 1HB CYS 29 1HB CYS 29 88.469 9.375 1.318 221 2HB CYS 29 2HB CYS 29 88.362 7.687 1.814 222 H GLY 30 H GLY 30 87.497 6.167 -1.069 223 1HA GLY 30 1HA GLY 30 85.144 6.353 -1.630 224 2HA GLY 30 2HA GLY 30 85.352 8.098 -1.787 225 H LEU 31 H LEU 31 84.316 6.004 -3.724 226 HA LEU 31 HA LEU 31 86.195 5.638 -5.857 227 1HB LEU 31 1HB LEU 31 83.676 4.808 -5.225 228 2HB LEU 31 2HB LEU 31 83.319 5.982 -6.492 229 HG LEU 31 HG LEU 31 85.588 4.354 -7.248 230 1HD1 LEU 31 1HD1 LEU 31 83.858 2.912 -5.664 231 2HD1 LEU 31 2HD1 LEU 31 83.203 2.630 -7.277 232 3HD1 LEU 31 3HD1 LEU 31 84.881 2.221 -6.925 233 1HD2 LEU 31 1HD2 LEU 31 83.468 5.683 -8.435 234 2HD2 LEU 31 2HD2 LEU 31 84.589 4.608 -9.270 235 3HD2 LEU 31 3HD2 LEU 31 83.049 3.987 -8.677 236 H GLY 32 H GLY 32 84.605 8.456 -4.729 237 1HA GLY 32 1HA GLY 32 85.006 9.812 -7.364 238 2HA GLY 32 2HA GLY 32 83.891 10.374 -6.116 239 H GLY 33 H GLY 33 87.112 10.548 -7.293 240 1HA GLY 33 1HA GLY 33 87.843 12.849 -5.903 241 2HA GLY 33 2HA GLY 33 88.362 11.520 -4.866 242 H SER 34 H SER 34 90.068 13.426 -6.295 243 HA SER 34 HA SER 34 92.064 11.636 -7.297 244 1HB SER 34 1HB SER 34 91.754 12.515 -9.749 245 2HB SER 34 2HB SER 34 90.724 11.206 -9.176 246 HG SER 34 HG SER 34 89.987 13.556 -10.095 247 H GLY 35 H GLY 35 93.722 12.886 -6.480 248 1HA GLY 35 1HA GLY 35 94.978 14.973 -7.595 249 2HA GLY 35 2HA GLY 35 93.641 15.824 -6.820 250 H THR 36 H THR 36 95.772 16.741 -5.765 251 HA THR 36 HA THR 36 97.350 15.374 -3.907 252 HB THR 36 HB THR 36 96.111 18.102 -3.464 253 HG1 THR 36 HG1 THR 36 98.009 17.203 -5.342 254 1HG2 THR 36 1HG2 THR 36 98.822 16.892 -2.859 255 2HG2 THR 36 2HG2 THR 36 98.420 18.594 -2.630 256 3HG2 THR 36 3HG2 THR 36 97.589 17.358 -1.687 257 HA PRO 37 HA PRO 37 94.486 14.025 -0.839 258 1HB PRO 37 1HB PRO 37 96.243 13.674 1.232 259 2HB PRO 37 2HB PRO 37 96.137 12.558 -0.144 260 1HG PRO 37 1HG PRO 37 98.107 14.723 0.390 261 2HG PRO 37 2HG PRO 37 98.355 13.120 -0.319 262 1HD PRO 37 1HD PRO 37 98.217 15.416 -1.790 263 2HD PRO 37 2HD PRO 37 97.769 13.815 -2.420 264 H VAL 38 H VAL 38 94.302 14.583 1.767 265 HA VAL 38 HA VAL 38 94.720 17.520 2.131 266 HB VAL 38 HB VAL 38 92.300 17.509 3.008 267 1HG1 VAL 38 1HG1 VAL 38 93.229 17.297 0.186 268 2HG1 VAL 38 2HG1 VAL 38 91.488 17.227 0.458 269 3HG1 VAL 38 3HG1 VAL 38 92.410 18.628 1.004 270 1HG2 VAL 38 1HG2 VAL 38 92.411 14.845 1.566 271 2HG2 VAL 38 2HG2 VAL 38 91.955 15.134 3.244 272 3HG2 VAL 38 3HG2 VAL 38 90.905 15.685 1.939 273 H ASP 39 H ASP 39 93.648 14.459 3.652 274 HA ASP 39 HA ASP 39 94.912 15.414 6.198 275 1HB ASP 39 1HB ASP 39 93.079 13.949 7.233 276 2HB ASP 39 2HB ASP 39 92.536 15.440 6.463 277 H ASP 40 H ASP 40 95.511 13.486 7.634 278 HA ASP 40 HA ASP 40 97.319 11.733 6.348 279 1HB ASP 40 1HB ASP 40 96.278 12.289 8.962 280 2HB ASP 40 2HB ASP 40 96.319 10.539 8.743 281 H LEU 41 H LEU 41 93.931 11.131 7.366 282 HA LEU 41 HA LEU 41 93.760 8.391 6.707 283 1HB LEU 41 1HB LEU 41 92.045 9.909 7.814 284 2HB LEU 41 2HB LEU 41 91.642 10.501 6.201 285 HG LEU 41 HG LEU 41 91.300 8.045 5.549 286 1HD1 LEU 41 1HD1 LEU 41 92.507 7.318 7.719 287 2HD1 LEU 41 2HD1 LEU 41 90.970 7.644 8.518 288 3HD1 LEU 41 3HD1 LEU 41 91.063 6.426 7.247 289 1HD2 LEU 41 1HD2 LEU 41 89.599 9.848 7.096 290 2HD2 LEU 41 2HD2 LEU 41 89.196 8.861 5.692 291 3HD2 LEU 41 3HD2 LEU 41 89.143 8.158 7.308 292 H ASP 42 H ASP 42 93.416 11.256 4.619 293 HA ASP 42 HA ASP 42 92.693 9.865 2.222 294 1HB ASP 42 1HB ASP 42 93.183 12.491 3.123 295 2HB ASP 42 2HB ASP 42 94.325 12.233 1.803 296 H ARG 43 H ARG 43 95.862 10.837 3.561 297 HA ARG 43 HA ARG 43 97.572 10.121 1.469 298 1HB ARG 43 1HB ARG 43 97.669 10.032 4.470 299 2HB ARG 43 2HB ARG 43 99.019 9.355 3.560 300 1HG ARG 43 1HG ARG 43 98.222 11.908 2.453 301 2HG ARG 43 2HG ARG 43 98.598 12.061 4.170 302 1HD ARG 43 1HD ARG 43 100.579 12.306 2.560 303 2HD ARG 43 2HD ARG 43 100.792 11.119 3.854 304 HE ARG 43 HE ARG 43 99.567 9.809 1.680 305 1HH1 ARG 43 1HH1 ARG 43 102.554 10.887 2.936 306 2HH1 ARG 43 2HH1 ARG 43 103.510 10.138 1.702 307 1HH2 ARG 43 1HH2 ARG 43 100.772 9.027 -0.114 308 2HH2 ARG 43 2HH2 ARG 43 102.501 9.084 -0.026 309 H CYS 44 H CYS 44 95.930 8.079 3.834 310 HA CYS 44 HA CYS 44 97.177 5.611 3.160 311 1HB CYS 44 1HB CYS 44 94.395 6.216 4.206 312 2HB CYS 44 2HB CYS 44 95.237 4.678 4.366 313 H CYS 45 H CYS 45 94.187 7.175 2.009 314 HA CYS 45 HA CYS 45 93.357 5.090 0.224 315 1HB CYS 45 1HB CYS 45 92.919 8.094 0.262 316 2HB CYS 45 2HB CYS 45 92.001 6.975 -0.745 317 H GLN 46 H GLN 46 95.269 8.066 -0.314 318 HA GLN 46 HA GLN 46 95.668 7.856 -3.102 319 1HB GLN 46 1HB GLN 46 96.311 9.724 -1.532 320 2HB GLN 46 2HB GLN 46 97.663 8.732 -0.984 321 1HG GLN 46 1HG GLN 46 98.712 8.797 -3.115 322 2HG GLN 46 2HG GLN 46 97.250 9.385 -3.905 323 1HE2 GLN 46 2HE2 GLN 46 99.299 10.976 -4.471 324 2HE2 GLN 46 1HE2 GLN 46 99.325 12.376 -3.518 325 H THR 47 H THR 47 97.348 6.255 -0.422 326 HA THR 47 HA THR 47 99.367 4.994 -2.043 327 HB THR 47 HB THR 47 98.298 4.134 0.650 328 HG1 THR 47 HG1 THR 47 98.738 6.148 1.118 329 1HG2 THR 47 1HG2 THR 47 100.413 3.234 -0.984 330 2HG2 THR 47 2HG2 THR 47 101.167 4.161 0.313 331 3HG2 THR 47 3HG2 THR 47 100.110 2.803 0.698 332 H HIS 48 H HIS 48 96.124 4.105 -0.969 333 HA HIS 48 HA HIS 48 96.189 1.309 -1.529 334 1HB HIS 48 1HB HIS 48 94.410 2.523 -0.300 335 2HB HIS 48 2HB HIS 48 93.950 3.347 -1.788 336 HD1 HIS 48 HD1 HIS 48 91.645 2.279 -2.077 337 HD2 HIS 48 HD2 HIS 48 94.697 -0.536 -1.692 338 HE1 HIS 48 HE1 HIS 48 90.624 0.033 -2.646 339 H ASP 49 H ASP 49 95.119 4.042 -3.535 340 HA ASP 49 HA ASP 49 94.576 2.610 -5.910 341 1HB ASP 49 1HB ASP 49 95.382 5.417 -5.178 342 2HB ASP 49 2HB ASP 49 95.177 4.974 -6.872 343 H ASN 50 H ASN 50 97.533 4.272 -4.833 344 HA ASN 50 HA ASN 50 99.177 3.706 -7.060 345 1HB ASN 50 1HB ASN 50 99.530 4.322 -4.149 346 2HB ASN 50 2HB ASN 50 100.950 3.867 -5.090 347 1HD2 ASN 50 2HD2 ASN 50 98.213 6.198 -5.086 348 2HD2 ASN 50 1HD2 ASN 50 99.043 7.407 -5.939 349 H CYS 51 H CYS 51 98.149 1.689 -4.388 350 HA CYS 51 HA CYS 51 100.215 -0.343 -4.697 351 1HB CYS 51 1HB CYS 51 98.672 0.299 -2.690 352 2HB CYS 51 2HB CYS 51 97.476 -0.722 -3.487 353 H TYR 52 H TYR 52 96.799 -0.042 -5.711 354 HA TYR 52 HA TYR 52 96.592 -2.595 -6.998 355 1HB TYR 52 1HB TYR 52 95.182 0.040 -6.990 356 2HB TYR 52 2HB TYR 52 94.796 -1.079 -8.298 357 HD1 TYR 52 HD1 TYR 52 95.609 -1.538 -4.661 358 HD2 TYR 52 HD2 TYR 52 92.812 -2.214 -7.851 359 HE1 TYR 52 HE1 TYR 52 94.171 -2.845 -3.122 360 HE2 TYR 52 HE2 TYR 52 91.372 -3.523 -6.311 361 HH TYR 52 HH TYR 52 91.098 -3.474 -3.565 362 H LYS 53 H LYS 53 97.913 0.497 -8.027 363 HA LYS 53 HA LYS 53 98.053 -0.176 -10.871 364 1HB LYS 53 1HB LYS 53 99.845 1.827 -9.514 365 2HB LYS 53 2HB LYS 53 99.026 1.951 -11.067 366 1HG LYS 53 1HG LYS 53 97.036 1.709 -9.030 367 2HG LYS 53 2HG LYS 53 98.169 2.962 -8.543 368 1HD LYS 53 1HD LYS 53 97.836 4.175 -10.583 369 2HD LYS 53 2HD LYS 53 96.947 2.834 -11.307 370 1HE LYS 53 1HE LYS 53 95.216 3.104 -9.472 371 2HE LYS 53 2HE LYS 53 96.050 4.600 -9.007 372 1HZ LYS 53 1HZ LYS 53 95.934 5.031 -11.567 373 2HZ LYS 53 2HZ LYS 53 94.613 3.971 -11.489 374 3HZ LYS 53 3HZ LYS 53 94.606 5.402 -10.574 375 H GLN 54 H GLN 54 100.423 0.171 -8.258 376 HA GLN 54 HA GLN 54 102.718 -0.789 -9.552 377 1HB GLN 54 1HB GLN 54 101.676 -0.975 -6.719 378 2HB GLN 54 2HB GLN 54 103.292 -1.536 -7.149 379 1HG GLN 54 1HG GLN 54 102.324 1.239 -7.856 380 2HG GLN 54 2HG GLN 54 103.108 0.887 -6.316 381 1HE2 GLN 54 2HE2 GLN 54 103.773 1.907 -9.442 382 2HE2 GLN 54 1HE2 GLN 54 105.408 1.462 -9.525 383 H ALA 55 H ALA 55 99.984 -2.523 -8.172 384 HA ALA 55 HA ALA 55 101.072 -5.180 -8.248 385 1HB ALA 55 1HB ALA 55 98.717 -3.858 -7.500 386 2HB ALA 55 2HB ALA 55 98.211 -4.965 -8.776 387 3HB ALA 55 3HB ALA 55 99.032 -5.586 -7.344 388 H LYS 56 H LYS 56 99.301 -3.225 -10.646 389 HA LYS 56 HA LYS 56 98.984 -5.286 -12.616 390 1HB LYS 56 1HB LYS 56 98.938 -2.299 -12.466 391 2HB LYS 56 2HB LYS 56 99.032 -3.028 -14.070 392 1HG LYS 56 1HG LYS 56 97.042 -4.415 -13.534 393 2HG LYS 56 2HG LYS 56 96.928 -3.617 -11.965 394 1HD LYS 56 1HD LYS 56 97.000 -1.970 -14.481 395 2HD LYS 56 2HD LYS 56 95.488 -2.710 -13.957 396 1HE LYS 56 1HE LYS 56 96.839 -1.433 -11.716 397 2HE LYS 56 2HE LYS 56 96.531 -0.279 -13.030 398 1HZ LYS 56 1HZ LYS 56 94.255 -1.239 -13.175 399 2HZ LYS 56 2HZ LYS 56 94.572 -2.111 -11.754 400 3HZ LYS 56 3HZ LYS 56 94.559 -0.412 -11.722 401 H LYS 57 H LYS 57 101.589 -2.941 -12.002 402 HA LYS 57 HA LYS 57 103.147 -3.424 -14.314 403 1HB LYS 57 1HB LYS 57 103.247 -1.963 -11.900 404 2HB LYS 57 2HB LYS 57 104.730 -2.919 -11.948 405 1HG LYS 57 1HG LYS 57 103.784 -1.324 -14.334 406 2HG LYS 57 2HG LYS 57 104.809 -0.616 -13.086 407 1HD LYS 57 1HD LYS 57 106.627 -1.961 -13.617 408 2HD LYS 57 2HD LYS 57 105.614 -3.239 -14.291 409 1HE LYS 57 1HE LYS 57 106.228 -2.374 -16.317 410 2HE LYS 57 2HE LYS 57 105.053 -1.094 -15.955 411 1HZ LYS 57 1HZ LYS 57 106.786 0.120 -14.784 412 2HZ LYS 57 2HZ LYS 57 107.917 -1.092 -15.155 413 3HZ LYS 57 3HZ LYS 57 107.243 -0.154 -16.397 414 H LEU 58 H LEU 58 102.972 -5.136 -11.215 415 HA LEU 58 HA LEU 58 105.247 -6.730 -11.271 416 1HB LEU 58 1HB LEU 58 102.468 -6.922 -10.269 417 2HB LEU 58 2HB LEU 58 103.336 -8.452 -10.367 418 HG LEU 58 HG LEU 58 104.871 -6.194 -9.223 419 1HD1 LEU 58 1HD1 LEU 58 102.215 -6.729 -8.298 420 2HD1 LEU 58 2HD1 LEU 58 103.350 -7.313 -7.081 421 3HD1 LEU 58 3HD1 LEU 58 103.409 -5.631 -7.607 422 1HD2 LEU 58 1HD2 LEU 58 104.399 -9.107 -8.526 423 2HD2 LEU 58 2HD2 LEU 58 105.831 -8.415 -9.288 424 3HD2 LEU 58 3HD2 LEU 58 105.462 -8.043 -7.604 425 H ASP 59 H ASP 59 106.029 -7.979 -12.931 426 HA ASP 59 HA ASP 59 104.797 -8.696 -15.313 427 1HB ASP 59 1HB ASP 59 107.119 -9.375 -13.790 428 2HB ASP 59 2HB ASP 59 106.440 -10.872 -14.429 429 H SER 60 H SER 60 105.035 -10.864 -12.461 430 HA SER 60 HA SER 60 103.475 -12.989 -13.323 431 1HB SER 60 1HB SER 60 103.566 -11.642 -10.607 432 2HB SER 60 2HB SER 60 103.001 -13.286 -10.893 433 HG SER 60 HG SER 60 105.224 -13.172 -10.268 434 H CYS 61 H CYS 61 102.262 -10.067 -11.635 435 HA CYS 61 HA CYS 61 99.487 -10.739 -11.782 436 1HB CYS 61 1HB CYS 61 100.991 -8.107 -11.639 437 2HB CYS 61 2HB CYS 61 99.255 -8.261 -11.369 438 H LYS 62 H LYS 62 101.597 -8.900 -13.986 439 HA LYS 62 HA LYS 62 99.494 -8.097 -15.796 440 1HB LYS 62 1HB LYS 62 102.030 -7.361 -15.361 441 2HB LYS 62 2HB LYS 62 102.323 -8.495 -16.681 442 1HG LYS 62 1HG LYS 62 101.228 -7.195 -18.229 443 2HG LYS 62 2HG LYS 62 100.088 -6.558 -17.043 444 1HD LYS 62 1HD LYS 62 101.330 -4.675 -17.032 445 2HD LYS 62 2HD LYS 62 102.564 -5.605 -16.179 446 1HE LYS 62 1HE LYS 62 103.413 -6.354 -18.470 447 2HE LYS 62 2HE LYS 62 102.353 -5.109 -19.161 448 1HZ LYS 62 1HZ LYS 62 103.986 -4.333 -16.874 449 2HZ LYS 62 2HZ LYS 62 104.808 -4.569 -18.343 450 3HZ LYS 62 3HZ LYS 62 103.550 -3.435 -18.249 451 H VAL 63 H VAL 63 100.742 -11.149 -15.146 452 HA VAL 63 HA VAL 63 99.939 -12.118 -17.870 453 HB VAL 63 HB VAL 63 102.414 -12.090 -17.413 454 1HG1 VAL 63 1HG1 VAL 63 101.592 -14.066 -15.265 455 2HG1 VAL 63 2HG1 VAL 63 103.253 -13.797 -15.792 456 3HG1 VAL 63 3HG1 VAL 63 102.355 -12.497 -15.010 457 1HG2 VAL 63 1HG2 VAL 63 101.226 -13.785 -18.906 458 2HG2 VAL 63 2HG2 VAL 63 102.797 -14.291 -18.286 459 3HG2 VAL 63 3HG2 VAL 63 101.319 -14.910 -17.550 460 H LEU 64 H LEU 64 99.245 -12.184 -14.585 461 HA LEU 64 HA LEU 64 97.899 -14.850 -14.867 462 1HB LEU 64 1HB LEU 64 99.645 -13.674 -12.727 463 2HB LEU 64 2HB LEU 64 98.384 -14.813 -12.259 464 HG LEU 64 HG LEU 64 100.623 -15.302 -14.243 465 1HD1 LEU 64 1HD1 LEU 64 101.054 -15.415 -11.715 466 2HD1 LEU 64 2HD1 LEU 64 99.963 -16.800 -11.701 467 3HD1 LEU 64 3HD1 LEU 64 101.453 -16.861 -12.643 468 1HD2 LEU 64 1HD2 LEU 64 97.995 -16.521 -13.962 469 2HD2 LEU 64 2HD2 LEU 64 99.220 -16.791 -15.201 470 3HD2 LEU 64 3HD2 LEU 64 99.278 -17.700 -13.690 471 H VAL 65 H VAL 65 97.883 -12.450 -12.247 472 HA VAL 65 HA VAL 65 94.958 -12.428 -12.310 473 HB VAL 65 HB VAL 65 96.951 -11.162 -10.448 474 1HG1 VAL 65 1HG1 VAL 65 93.983 -11.471 -10.455 475 2HG1 VAL 65 2HG1 VAL 65 94.807 -11.644 -8.906 476 3HG1 VAL 65 3HG1 VAL 65 94.971 -10.151 -9.828 477 1HG2 VAL 65 1HG2 VAL 65 97.110 -13.690 -10.727 478 2HG2 VAL 65 2HG2 VAL 65 96.794 -13.135 -9.084 479 3HG2 VAL 65 3HG2 VAL 65 95.479 -13.780 -10.064 480 H ASP 66 H ASP 66 96.697 -11.050 -14.259 481 HA ASP 66 HA ASP 66 97.030 -8.345 -14.182 482 1HB ASP 66 1HB ASP 66 97.398 -9.535 -16.212 483 2HB ASP 66 2HB ASP 66 95.727 -10.099 -16.273 484 H ASN 67 H ASN 67 95.687 -6.465 -14.366 485 HA ASN 67 HA ASN 67 93.756 -5.182 -13.893 486 1HB ASN 67 1HB ASN 67 93.063 -6.022 -16.031 487 2HB ASN 67 2HB ASN 67 92.711 -7.616 -15.362 488 1HD2 ASN 67 2HD2 ASN 67 90.452 -7.790 -15.573 489 2HD2 ASN 67 1HD2 ASN 67 89.347 -6.646 -14.979 490 HA PRO 68 HA PRO 68 92.889 -7.972 -10.258 491 1HB PRO 68 1HB PRO 68 93.922 -6.304 -8.352 492 2HB PRO 68 2HB PRO 68 94.899 -7.508 -9.217 493 1HG PRO 68 1HG PRO 68 94.687 -4.575 -9.655 494 2HG PRO 68 2HG PRO 68 96.100 -5.635 -9.768 495 1HD PRO 68 1HD PRO 68 94.706 -4.714 -11.936 496 2HD PRO 68 2HD PRO 68 95.646 -6.222 -11.927 497 H TYR 69 H TYR 69 90.735 -6.977 -11.204 498 HA TYR 69 HA TYR 69 89.733 -4.872 -9.312 499 1HB TYR 69 1HB TYR 69 89.693 -5.182 -12.189 500 2HB TYR 69 2HB TYR 69 88.043 -5.113 -11.572 501 HD1 TYR 69 HD1 TYR 69 91.173 -3.485 -10.300 502 HD2 TYR 69 HD2 TYR 69 87.266 -2.921 -11.993 503 HE1 TYR 69 HE1 TYR 69 91.391 -1.035 -9.983 504 HE2 TYR 69 HE2 TYR 69 87.484 -0.472 -11.675 505 HH TYR 69 HH TYR 69 90.319 0.927 -10.051 506 H THR 70 H THR 70 88.485 -7.550 -11.347 507 HA THR 70 HA THR 70 86.283 -8.034 -9.512 508 HB THR 70 HB THR 70 85.908 -9.915 -11.213 509 HG1 THR 70 HG1 THR 70 87.782 -10.294 -12.149 510 1HG2 THR 70 1HG2 THR 70 85.922 -6.989 -11.684 511 2HG2 THR 70 2HG2 THR 70 85.752 -7.998 -13.120 512 3HG2 THR 70 3HG2 THR 70 84.593 -8.143 -11.799 513 H ASN 71 H ASN 71 89.527 -8.912 -9.546 514 HA ASN 71 HA ASN 71 89.639 -11.644 -8.909 515 1HB ASN 71 1HB ASN 71 91.558 -10.121 -9.235 516 2HB ASN 71 2HB ASN 71 91.178 -9.318 -7.711 517 1HD2 ASN 71 2HD2 ASN 71 91.495 -10.570 -5.701 518 2HD2 ASN 71 1HD2 ASN 71 92.495 -11.941 -5.688 519 H ASN 72 H ASN 72 89.134 -12.846 -7.083 520 HA ASN 72 HA ASN 72 88.012 -11.348 -4.735 521 1HB ASN 72 1HB ASN 72 86.990 -13.440 -6.485 522 2HB ASN 72 2HB ASN 72 86.944 -13.940 -4.793 523 1HD2 ASN 72 2HD2 ASN 72 86.228 -10.942 -6.693 524 2HD2 ASN 72 1HD2 ASN 72 84.805 -10.576 -5.844 525 H TYR 73 H TYR 73 90.472 -11.557 -4.162 526 HA TYR 73 HA TYR 73 91.628 -14.095 -3.511 527 1HB TYR 73 1HB TYR 73 93.200 -12.685 -2.233 528 2HB TYR 73 2HB TYR 73 92.830 -11.941 -3.789 529 HD1 TYR 73 HD1 TYR 73 91.714 -11.967 -0.213 530 HD2 TYR 73 HD2 TYR 73 92.026 -9.736 -3.872 531 HE1 TYR 73 HE1 TYR 73 90.892 -9.939 0.953 532 HE2 TYR 73 HE2 TYR 73 91.203 -7.709 -2.704 533 HH TYR 73 HH TYR 73 91.221 -6.891 -0.213 534 H SER 74 H SER 74 92.116 -14.772 -1.195 535 HA SER 74 HA SER 74 89.672 -14.418 0.505 536 1HB SER 74 1HB SER 74 89.805 -16.684 0.046 537 2HB SER 74 2HB SER 74 91.553 -16.642 -0.158 538 HG SER 74 HG SER 74 91.128 -17.665 1.765 539 H TYR 75 H TYR 75 90.120 -14.462 2.901 540 HA TYR 75 HA TYR 75 92.819 -14.016 3.882 541 1HB TYR 75 1HB TYR 75 92.699 -11.647 4.205 542 2HB TYR 75 2HB TYR 75 92.166 -11.927 2.548 543 HD1 TYR 75 HD1 TYR 75 90.994 -11.248 6.013 544 HD2 TYR 75 HD2 TYR 75 89.907 -11.450 1.863 545 HE1 TYR 75 HE1 TYR 75 88.820 -10.172 6.532 546 HE2 TYR 75 HE2 TYR 75 87.734 -10.374 2.381 547 HH TYR 75 HH TYR 75 86.513 -9.360 3.946 548 H SER 76 H SER 76 92.504 -12.802 6.206 549 HA SER 76 HA SER 76 90.001 -13.763 7.508 550 1HB SER 76 1HB SER 76 92.707 -14.869 7.704 551 2HB SER 76 2HB SER 76 92.016 -14.472 9.275 552 HG SER 76 HG SER 76 91.185 -16.313 7.342 553 H CYS 77 H CYS 77 90.424 -13.127 10.072 554 HA CYS 77 HA CYS 77 91.909 -10.618 10.392 555 1HB CYS 77 1HB CYS 77 89.975 -9.841 9.174 556 2HB CYS 77 2HB CYS 77 88.889 -10.710 10.246 557 H SER 78 H SER 78 91.581 -9.740 12.595 558 HA SER 78 HA SER 78 90.135 -10.852 14.719 559 1HB SER 78 1HB SER 78 90.938 -13.001 14.568 560 2HB SER 78 2HB SER 78 92.415 -12.496 13.752 561 HG SER 78 HG SER 78 91.858 -11.975 16.485 562 H ASN 79 H ASN 79 90.973 -10.188 16.834 563 HA ASN 79 HA ASN 79 91.973 -8.510 18.181 564 1HB ASN 79 1HB ASN 79 94.381 -9.496 16.623 565 2HB ASN 79 2HB ASN 79 94.374 -8.851 18.263 566 1HD2 ASN 79 2HD2 ASN 79 95.452 -11.204 18.454 567 2HD2 ASN 79 1HD2 ASN 79 94.372 -12.449 18.858 568 H ASN 80 H ASN 80 90.791 -7.135 16.174 569 HA ASN 80 HA ASN 80 90.917 -5.259 14.782 570 1HB ASN 80 1HB ASN 80 93.188 -4.572 16.634 571 2HB ASN 80 2HB ASN 80 92.005 -3.497 15.926 572 1HD2 ASN 80 2HD2 ASN 80 89.765 -5.290 16.468 573 2HD2 ASN 80 1HD2 ASN 80 89.532 -5.206 18.130 574 H GLU 81 H GLU 81 92.375 -7.481 13.847 575 HA GLU 81 HA GLU 81 94.419 -6.105 12.232 576 1HB GLU 81 1HB GLU 81 94.775 -8.586 13.914 577 2HB GLU 81 2HB GLU 81 95.893 -8.155 12.618 578 1HG GLU 81 1HG GLU 81 95.560 -5.792 14.078 579 2HG GLU 81 2HG GLU 81 95.681 -7.059 15.295 580 H ILE 82 H ILE 82 95.000 -7.431 10.286 581 HA ILE 82 HA ILE 82 92.683 -9.151 9.466 582 HB ILE 82 HB ILE 82 94.511 -7.272 7.948 583 1HG1 ILE 82 1HG1 ILE 82 91.516 -7.292 8.456 584 2HG1 ILE 82 2HG1 ILE 82 92.683 -6.209 9.215 585 1HG2 ILE 82 1HG2 ILE 82 92.467 -9.276 6.976 586 2HG2 ILE 82 2HG2 ILE 82 92.945 -7.881 6.010 587 3HG2 ILE 82 3HG2 ILE 82 94.142 -9.095 6.458 588 1HD1 ILE 82 1HD1 ILE 82 92.571 -6.350 6.222 589 2HD1 ILE 82 2HD1 ILE 82 91.344 -5.419 7.081 590 3HD1 ILE 82 3HD1 ILE 82 93.049 -5.006 7.258 591 H THR 83 H THR 83 93.193 -10.968 8.074 592 HA THR 83 HA THR 83 96.055 -11.854 8.160 593 HB THR 83 HB THR 83 93.493 -13.164 9.039 594 HG1 THR 83 HG1 THR 83 94.610 -13.416 10.849 595 1HG2 THR 83 1HG2 THR 83 94.539 -14.667 7.330 596 2HG2 THR 83 2HG2 THR 83 96.011 -14.681 8.302 597 3HG2 THR 83 3HG2 THR 83 94.519 -15.364 8.951 598 H CYS 84 H CYS 84 96.584 -13.389 6.409 599 HA CYS 84 HA CYS 84 94.577 -13.577 4.213 600 1HB CYS 84 1HB CYS 84 96.787 -11.766 4.368 601 2HB CYS 84 2HB CYS 84 97.131 -12.941 3.098 602 H SER 85 H SER 85 94.676 -15.569 3.223 603 HA SER 85 HA SER 85 96.139 -17.749 4.201 604 1HB SER 85 1HB SER 85 94.927 -17.064 1.523 605 2HB SER 85 2HB SER 85 95.680 -18.632 1.802 606 HG SER 85 HG SER 85 93.935 -19.179 2.816 607 H SER 86 H SER 86 98.102 -18.766 3.515 608 HA SER 86 HA SER 86 100.136 -16.914 2.477 609 1HB SER 86 1HB SER 86 101.640 -18.561 3.280 610 2HB SER 86 2HB SER 86 100.278 -18.664 4.391 611 HG SER 86 HG SER 86 100.479 -20.711 3.795 612 H GLU 87 H GLU 87 98.093 -19.424 1.236 613 HA GLU 87 HA GLU 87 99.646 -20.413 -0.930 614 1HB GLU 87 1HB GLU 87 96.743 -20.057 -0.268 615 2HB GLU 87 2HB GLU 87 97.176 -20.564 -1.901 616 1HG GLU 87 1HG GLU 87 98.321 -22.510 -1.087 617 2HG GLU 87 2HG GLU 87 98.227 -21.942 0.580 618 H ASN 88 H ASN 88 98.036 -17.344 -0.466 619 HA ASN 88 HA ASN 88 97.557 -16.390 -3.022 620 1HB ASN 88 1HB ASN 88 98.947 -14.953 -0.740 621 2HB ASN 88 2HB ASN 88 98.035 -14.186 -2.040 622 1HD2 ASN 88 2HD2 ASN 88 96.772 -13.372 -0.001 623 2HD2 ASN 88 1HD2 ASN 88 95.492 -14.350 0.533 624 H ASN 89 H ASN 89 98.888 -16.503 -4.808 625 HA ASN 89 HA ASN 89 101.727 -16.918 -4.665 626 1HB ASN 89 1HB ASN 89 101.559 -16.431 -7.123 627 2HB ASN 89 2HB ASN 89 100.361 -17.597 -6.565 628 1HD2 ASN 89 2HD2 ASN 89 100.040 -15.900 -8.931 629 2HD2 ASN 89 1HD2 ASN 89 98.711 -14.885 -8.639 630 H ALA 90 H ALA 90 103.063 -15.209 -6.179 631 HA ALA 90 HA ALA 90 103.715 -12.993 -4.642 632 1HB ALA 90 1HB ALA 90 103.808 -13.495 -7.624 633 2HB ALA 90 2HB ALA 90 104.602 -12.113 -6.868 634 3HB ALA 90 3HB ALA 90 105.098 -13.752 -6.449 635 H CYS 91 H CYS 91 101.110 -13.281 -7.022 636 HA CYS 91 HA CYS 91 100.502 -10.397 -6.913 637 1HB CYS 91 1HB CYS 91 100.306 -12.196 -8.849 638 2HB CYS 91 2HB CYS 91 98.727 -12.492 -8.120 639 H GLU 92 H GLU 92 98.812 -13.433 -5.989 640 HA GLU 92 HA GLU 92 96.508 -12.291 -4.836 641 1HB GLU 92 1HB GLU 92 98.158 -14.759 -4.285 642 2HB GLU 92 2HB GLU 92 96.682 -14.433 -3.376 643 1HG GLU 92 1HG GLU 92 96.349 -14.074 -6.268 644 2HG GLU 92 2HG GLU 92 96.794 -15.721 -5.822 645 H ALA 93 H ALA 93 99.776 -12.586 -3.560 646 HA ALA 93 HA ALA 93 99.021 -11.751 -0.847 647 1HB ALA 93 1HB ALA 93 101.074 -13.156 -1.977 648 2HB ALA 93 2HB ALA 93 101.829 -11.575 -1.779 649 3HB ALA 93 3HB ALA 93 101.163 -12.416 -0.379 650 H PHE 94 H PHE 94 100.377 -10.259 -3.765 651 HA PHE 94 HA PHE 94 101.081 -7.734 -2.559 652 1HB PHE 94 1HB PHE 94 101.837 -8.765 -4.765 653 2HB PHE 94 2HB PHE 94 100.266 -8.305 -5.421 654 HD1 PHE 94 HD1 PHE 94 99.583 -5.869 -5.409 655 HD2 PHE 94 HD2 PHE 94 103.575 -7.161 -4.488 656 HE1 PHE 94 HE1 PHE 94 100.419 -3.568 -5.802 657 HE2 PHE 94 HE2 PHE 94 104.410 -4.859 -4.880 658 HZ PHE 94 HZ PHE 94 102.832 -3.063 -5.537 659 H ILE 95 H ILE 95 98.136 -8.977 -4.116 660 HA ILE 95 HA ILE 95 96.726 -6.449 -4.136 661 HB ILE 95 HB ILE 95 95.750 -9.326 -4.160 662 1HG1 ILE 95 1HG1 ILE 95 97.390 -8.843 -5.942 663 2HG1 ILE 95 2HG1 ILE 95 95.774 -9.043 -6.620 664 1HG2 ILE 95 1HG2 ILE 95 94.204 -7.136 -3.801 665 2HG2 ILE 95 2HG2 ILE 95 94.305 -7.138 -5.562 666 3HG2 ILE 95 3HG2 ILE 95 93.666 -8.545 -4.713 667 1HD1 ILE 95 1HD1 ILE 95 95.761 -6.373 -6.112 668 2HD1 ILE 95 2HD1 ILE 95 97.470 -6.620 -6.470 669 3HD1 ILE 95 3HD1 ILE 95 96.246 -7.066 -7.658 670 H CYS 96 H CYS 96 96.845 -9.204 -1.879 671 HA CYS 96 HA CYS 96 94.789 -8.318 -0.092 672 1HB CYS 96 1HB CYS 96 95.589 -10.575 -0.025 673 2HB CYS 96 2HB CYS 96 97.261 -10.049 0.165 674 H ASN 97 H ASN 97 98.243 -7.573 -0.327 675 HA ASN 97 HA ASN 97 98.495 -6.218 2.203 676 1HB ASN 97 1HB ASN 97 99.986 -6.067 -0.435 677 2HB ASN 97 2HB ASN 97 100.557 -5.319 1.054 678 1HD2 ASN 97 2HD2 ASN 97 102.290 -7.141 0.140 679 2HD2 ASN 97 1HD2 ASN 97 102.177 -8.609 0.975 680 H CYS 98 H CYS 98 97.627 -5.150 -1.069 681 HA CYS 98 HA CYS 98 97.683 -2.332 -0.644 682 1HB CYS 98 1HB CYS 98 95.949 -4.100 -2.400 683 2HB CYS 98 2HB CYS 98 96.126 -2.358 -2.604 684 H ASP 99 H ASP 99 95.135 -4.746 -0.071 685 HA ASP 99 HA ASP 99 93.156 -2.752 0.748 686 1HB ASP 99 1HB ASP 99 93.389 -5.766 0.756 687 2HB ASP 99 2HB ASP 99 91.983 -4.948 1.441 688 H ARG 100 H ARG 100 95.265 -5.108 2.417 689 HA ARG 100 HA ARG 100 94.265 -4.594 5.064 690 1HB ARG 100 1HB ARG 100 95.716 -6.508 4.078 691 2HB ARG 100 2HB ARG 100 97.080 -5.428 4.365 692 1HG ARG 100 1HG ARG 100 95.817 -5.226 6.754 693 2HG ARG 100 2HG ARG 100 95.373 -6.875 6.312 694 1HD ARG 100 1HD ARG 100 98.073 -6.748 5.661 695 2HD ARG 100 2HD ARG 100 97.965 -5.849 7.182 696 HE ARG 100 HE ARG 100 96.353 -8.090 7.510 697 1HH1 ARG 100 1HH2 ARG 100 98.656 -7.617 9.302 698 2HH1 ARG 100 2HH2 ARG 100 99.700 -8.952 8.947 699 1HH2 ARG 100 1HH1 ARG 100 98.116 -9.740 5.964 700 2HH2 ARG 100 2HH1 ARG 100 99.394 -10.155 7.056 701 H ASN 101 H ASN 101 97.152 -3.350 3.342 702 HA ASN 101 HA ASN 101 98.079 -1.631 5.418 703 1HB ASN 101 1HB ASN 101 98.374 -1.914 2.458 704 2HB ASN 101 2HB ASN 101 98.953 -0.421 3.191 705 1HD2 ASN 101 2HD2 ASN 101 100.997 -1.766 2.205 706 2HD2 ASN 101 1HD2 ASN 101 101.832 -2.661 3.375 707 H ALA 102 H ALA 102 95.701 -1.124 2.829 708 HA ALA 102 HA ALA 102 95.361 1.716 3.283 709 1HB ALA 102 1HB ALA 102 94.797 0.284 1.234 710 2HB ALA 102 2HB ALA 102 93.371 -0.250 2.124 711 3HB ALA 102 3HB ALA 102 93.568 1.455 1.714 712 H ALA 103 H ALA 103 93.615 -1.190 4.408 713 HA ALA 103 HA ALA 103 91.578 0.268 5.856 714 1HB ALA 103 1HB ALA 103 92.013 -2.298 5.019 715 2HB ALA 103 2HB ALA 103 92.359 -2.446 6.742 716 3HB ALA 103 3HB ALA 103 90.788 -1.850 6.205 717 H ILE 104 H ILE 104 94.603 -1.362 6.866 718 HA ILE 104 HA ILE 104 94.398 -0.788 9.655 719 HB ILE 104 HB ILE 104 96.765 -1.158 7.791 720 1HG1 ILE 104 1HG1 ILE 104 95.570 -3.150 9.724 721 2HG1 ILE 104 2HG1 ILE 104 94.959 -2.988 8.077 722 1HG2 ILE 104 1HG2 ILE 104 96.554 -0.774 10.741 723 2HG2 ILE 104 2HG2 ILE 104 97.680 -2.006 10.167 724 3HG2 ILE 104 3HG2 ILE 104 97.860 -0.332 9.640 725 1HD1 ILE 104 1HD1 ILE 104 97.903 -3.356 8.622 726 2HD1 ILE 104 2HD1 ILE 104 96.817 -4.739 8.489 727 3HD1 ILE 104 3HD1 ILE 104 97.020 -3.644 7.122 728 H CYS 105 H CYS 105 95.635 1.114 6.933 729 HA CYS 105 HA CYS 105 96.924 3.179 8.442 730 1HB CYS 105 1HB CYS 105 96.913 2.559 5.906 731 2HB CYS 105 2HB CYS 105 95.473 3.573 5.825 732 H PHE 106 H PHE 106 93.616 2.968 7.083 733 HA PHE 106 HA PHE 106 92.606 5.426 7.952 734 1HB PHE 106 1HB PHE 106 91.288 2.698 7.806 735 2HB PHE 106 2HB PHE 106 90.423 4.231 7.837 736 HD1 PHE 106 HD1 PHE 106 92.402 5.807 6.109 737 HD2 PHE 106 HD2 PHE 106 90.614 1.930 5.641 738 HE1 PHE 106 HE1 PHE 106 92.642 5.992 3.650 739 HE2 PHE 106 HE2 PHE 106 90.856 2.115 3.181 740 HZ PHE 106 HZ PHE 106 91.871 4.146 2.185 741 H SER 107 H SER 107 92.914 2.352 9.677 742 HA SER 107 HA SER 107 91.610 3.318 12.108 743 1HB SER 107 1HB SER 107 91.847 1.104 12.765 744 2HB SER 107 2HB SER 107 91.980 0.909 11.020 745 HG SER 107 HG SER 107 94.278 1.098 11.314 746 H LYS 108 H LYS 108 94.679 3.841 10.768 747 HA LYS 108 HA LYS 108 96.024 4.027 13.422 748 1HB LYS 108 1HB LYS 108 96.946 4.165 10.538 749 2HB LYS 108 2HB LYS 108 98.028 4.396 11.912 750 1HG LYS 108 1HG LYS 108 96.363 2.007 12.188 751 2HG LYS 108 2HG LYS 108 97.392 1.955 10.756 752 1HD LYS 108 1HD LYS 108 99.052 1.303 12.146 753 2HD LYS 108 2HD LYS 108 99.076 2.972 12.717 754 1HE LYS 108 1HE LYS 108 98.278 2.344 14.742 755 2HE LYS 108 2HE LYS 108 96.925 1.477 13.989 756 1HZ LYS 108 1HZ LYS 108 99.703 0.436 14.021 757 2HZ LYS 108 2HZ LYS 108 98.557 0.031 15.203 758 3HZ LYS 108 3HZ LYS 108 98.288 -0.396 13.581 759 H VAL 109 H VAL 109 94.432 5.997 11.103 760 HA VAL 109 HA VAL 109 95.683 8.449 12.300 761 HB VAL 109 HB VAL 109 95.437 9.472 10.146 762 1HG1 VAL 109 1HG1 VAL 109 97.308 7.860 10.332 763 2HG1 VAL 109 2HG1 VAL 109 96.255 6.582 9.724 764 3HG1 VAL 109 3HG1 VAL 109 96.686 7.939 8.684 765 1HG2 VAL 109 1HG2 VAL 109 93.357 7.431 9.862 766 2HG2 VAL 109 2HG2 VAL 109 93.519 8.987 9.046 767 3HG2 VAL 109 3HG2 VAL 109 94.368 7.571 8.423 768 HA PRO 110 HA PRO 110 91.671 9.674 13.576 769 1HB PRO 110 1HB PRO 110 91.750 12.383 13.181 770 2HB PRO 110 2HB PRO 110 92.639 11.570 14.486 771 1HG PRO 110 1HG PRO 110 93.622 12.566 11.860 772 2HG PRO 110 2HG PRO 110 94.407 12.596 13.447 773 1HD PRO 110 1HD PRO 110 95.014 10.786 11.494 774 2HD PRO 110 2HD PRO 110 95.220 10.469 13.231 775 H TYR 111 H TYR 111 89.793 11.309 12.703 776 HA TYR 111 HA TYR 111 89.604 10.961 9.729 777 1HB TYR 111 1HB TYR 111 88.365 9.187 10.810 778 2HB TYR 111 2HB TYR 111 87.607 10.326 11.921 779 HD1 TYR 111 HD1 TYR 111 87.994 9.675 8.247 780 HD2 TYR 111 HD2 TYR 111 85.509 11.205 11.399 781 HE1 TYR 111 HE1 TYR 111 86.158 10.040 6.620 782 HE2 TYR 111 HE2 TYR 111 83.672 11.570 9.773 783 HH TYR 111 HH TYR 111 83.213 11.732 7.523 784 H ASN 112 H ASN 112 89.953 13.214 9.343 785 HA ASN 112 HA ASN 112 88.711 15.348 10.793 786 1HB ASN 112 1HB ASN 112 89.864 15.008 8.017 787 2HB ASN 112 2HB ASN 112 89.265 16.565 8.586 788 1HD2 ASN 112 2HD2 ASN 112 91.836 14.179 8.975 789 2HD2 ASN 112 1HD2 ASN 112 92.806 15.123 10.002 790 H LYS 113 H LYS 113 86.467 14.472 10.980 791 HA LYS 113 HA LYS 113 84.679 13.814 8.957 792 1HB LYS 113 1HB LYS 113 84.607 14.356 11.643 793 2HB LYS 113 2HB LYS 113 83.656 15.694 10.995 794 1HG LYS 113 1HG LYS 113 82.734 13.512 9.555 795 2HG LYS 113 2HG LYS 113 82.983 12.851 11.171 796 1HD LYS 113 1HD LYS 113 81.306 14.096 12.080 797 2HD LYS 113 2HD LYS 113 81.697 15.512 11.101 798 1HE LYS 113 1HE LYS 113 80.283 14.886 9.393 799 2HE LYS 113 2HE LYS 113 80.574 13.154 9.653 800 1HZ LYS 113 1HZ LYS 113 79.296 14.678 11.802 801 2HZ LYS 113 2HZ LYS 113 78.349 14.287 10.447 802 3HZ LYS 113 3HZ LYS 113 79.082 13.055 11.358 803 H GLU 114 H GLU 114 85.790 17.064 9.864 804 HA GLU 114 HA GLU 114 83.939 18.594 8.375 805 1HB GLU 114 1HB GLU 114 85.532 19.437 10.070 806 2HB GLU 114 2HB GLU 114 86.870 19.085 8.977 807 1HG GLU 114 1HG GLU 114 84.783 20.675 7.692 808 2HG GLU 114 2HG GLU 114 85.466 21.483 9.104 809 H HIS 115 H HIS 115 86.739 16.750 7.383 810 HA HIS 115 HA HIS 115 86.869 17.972 4.708 811 1HB HIS 115 1HB HIS 115 88.313 15.924 6.339 812 2HB HIS 115 2HB HIS 115 88.503 15.862 4.588 813 HD1 HIS 115 HD1 HIS 115 89.627 17.927 3.428 814 HD2 HIS 115 HD2 HIS 115 89.523 18.160 7.588 815 HE1 HIS 115 HE1 HIS 115 91.192 19.809 4.079 816 H LYS 116 H LYS 116 84.701 15.913 6.075 817 HA LYS 116 HA LYS 116 84.544 13.723 4.230 818 1HB LYS 116 1HB LYS 116 83.461 13.536 6.322 819 2HB LYS 116 2HB LYS 116 82.728 15.134 6.181 820 1HG LYS 116 1HG LYS 116 81.018 13.456 5.796 821 2HG LYS 116 2HG LYS 116 81.358 14.284 4.276 822 1HD LYS 116 1HD LYS 116 81.711 12.243 3.377 823 2HD LYS 116 2HD LYS 116 83.197 12.187 4.325 824 1HE LYS 116 1HE LYS 116 81.723 11.310 6.260 825 2HE LYS 116 2HE LYS 116 80.496 11.013 5.011 826 1HZ LYS 116 1HZ LYS 116 82.515 10.011 3.743 827 2HZ LYS 116 2HZ LYS 116 83.175 9.832 5.297 828 3HZ LYS 116 3HZ LYS 116 81.707 9.077 4.908 829 H ASN 117 H ASN 117 83.458 13.597 2.243 830 HA ASN 117 HA ASN 117 82.595 14.477 0.213 831 1HB ASN 117 1HB ASN 117 80.824 15.798 2.300 832 2HB ASN 117 2HB ASN 117 80.393 15.523 0.612 833 1HD2 ASN 117 2HD2 ASN 117 78.879 14.373 2.782 834 2HD2 ASN 117 1HD2 ASN 117 79.072 12.688 2.720 835 H LEU 118 H LEU 118 84.858 15.877 0.777 836 HA LEU 118 HA LEU 118 84.454 18.693 1.116 837 1HB LEU 118 1HB LEU 118 86.483 17.855 1.881 838 2HB LEU 118 2HB LEU 118 86.592 16.704 0.566 839 HG LEU 118 HG LEU 118 86.959 18.675 -0.965 840 1HD1 LEU 118 1HD1 LEU 118 86.218 20.259 1.016 841 2HD1 LEU 118 2HD1 LEU 118 87.906 20.104 1.506 842 3HD1 LEU 118 3HD1 LEU 118 87.504 20.779 -0.073 843 1HD2 LEU 118 1HD2 LEU 118 88.713 17.198 0.710 844 2HD2 LEU 118 2HD2 LEU 118 89.073 17.926 -0.855 845 3HD2 LEU 118 3HD2 LEU 118 89.333 18.847 0.626 846 H ASP 119 H ASP 119 85.395 20.156 -0.665 847 HA ASP 119 HA ASP 119 84.017 19.569 -3.207 848 1HB ASP 119 1HB ASP 119 84.047 21.758 -1.810 849 2HB ASP 119 2HB ASP 119 85.644 22.012 -2.514 850 H LYS 120 H LYS 120 85.123 18.559 -4.824 851 HA LYS 120 HA LYS 120 87.778 17.816 -4.929 852 1HB LYS 120 1HB LYS 120 85.712 18.549 -6.981 853 2HB LYS 120 2HB LYS 120 87.335 18.113 -7.516 854 1HG LYS 120 1HG LYS 120 87.080 16.039 -6.003 855 2HG LYS 120 2HG LYS 120 85.359 16.429 -5.979 856 1HD LYS 120 1HD LYS 120 85.056 15.839 -8.167 857 2HD LYS 120 2HD LYS 120 86.644 16.436 -8.653 858 1HE LYS 120 1HE LYS 120 87.148 14.260 -6.918 859 2HE LYS 120 2HE LYS 120 85.866 13.724 -8.022 860 1HZ LYS 120 1HZ LYS 120 88.356 15.115 -8.861 861 2HZ LYS 120 2HZ LYS 120 88.099 13.440 -8.984 862 3HZ LYS 120 3HZ LYS 120 87.145 14.518 -9.886 863 H LYS 121 H LYS 121 86.455 21.008 -5.473 864 HA LYS 121 HA LYS 121 88.575 22.216 -6.935 865 1HB LYS 121 1HB LYS 121 86.406 23.035 -5.055 866 2HB LYS 121 2HB LYS 121 87.658 24.222 -5.411 867 1HG LYS 121 1HG LYS 121 86.517 22.745 -7.729 868 2HG LYS 121 2HG LYS 121 85.471 23.935 -6.952 869 1HD LYS 121 1HD LYS 121 88.307 24.550 -7.811 870 2HD LYS 121 2HD LYS 121 86.904 24.842 -8.841 871 1HE LYS 121 1HE LYS 121 86.283 26.686 -7.655 872 2HE LYS 121 2HE LYS 121 86.615 25.900 -6.099 873 1HZ LYS 121 1HZ LYS 121 88.924 26.396 -7.788 874 2HZ LYS 121 2HZ LYS 121 88.189 27.782 -7.144 875 3HZ LYS 121 3HZ LYS 121 88.754 26.561 -6.106 876 H ASN 122 H ASN 122 88.428 21.067 -3.732 877 HA ASN 122 HA ASN 122 90.802 22.640 -2.839 878 1HB ASN 122 1HB ASN 122 88.595 21.010 -1.647 879 2HB ASN 122 2HB ASN 122 90.119 21.080 -0.774 880 1HD2 ASN 122 2HD2 ASN 122 87.307 22.931 -1.760 881 2HD2 ASN 122 1HD2 ASN 122 87.688 24.342 -0.894 882 H CYS 123 H CYS 123 89.937 19.824 -4.371 883 HA CYS 123 HA CYS 123 92.072 18.103 -3.270 884 1HB CYS 123 1HB CYS 123 89.630 17.924 -4.964 885 2HB CYS 123 2HB CYS 123 90.862 16.705 -5.221 Start of MODEL 4 1 1H ALA 1 1H ALA 1 85.493 -5.713 -7.153 2 2H ALA 1 2H ALA 1 84.980 -7.190 -7.811 3 3H ALA 1 3H ALA 1 83.872 -6.198 -6.989 4 HA ALA 1 HA ALA 1 84.310 -7.654 -5.305 5 1HB ALA 1 1HB ALA 1 86.507 -8.160 -7.144 6 2HB ALA 1 2HB ALA 1 87.048 -8.258 -5.469 7 3HB ALA 1 3HB ALA 1 85.718 -9.273 -6.027 8 H LEU 2 H LEU 2 84.524 -4.804 -5.223 9 HA LEU 2 HA LEU 2 86.948 -4.163 -3.656 10 1HB LEU 2 1HB LEU 2 85.146 -2.826 -5.359 11 2HB LEU 2 2HB LEU 2 84.879 -2.130 -3.761 12 HG LEU 2 HG LEU 2 86.638 -0.871 -4.864 13 1HD1 LEU 2 1HD1 LEU 2 87.148 -2.518 -2.487 14 2HD1 LEU 2 2HD1 LEU 2 88.621 -1.952 -3.275 15 3HD1 LEU 2 3HD1 LEU 2 87.408 -0.791 -2.735 16 1HD2 LEU 2 1HD2 LEU 2 87.246 -2.815 -6.402 17 2HD2 LEU 2 2HD2 LEU 2 88.608 -1.888 -5.774 18 3HD2 LEU 2 3HD2 LEU 2 88.205 -3.453 -5.067 19 H TRP 3 H TRP 3 83.970 -5.553 -2.982 20 HA TRP 3 HA TRP 3 83.273 -4.169 -0.534 21 1HB TRP 3 1HB TRP 3 81.617 -5.862 -0.377 22 2HB TRP 3 2HB TRP 3 81.871 -5.669 -2.110 23 HD1 TRP 3 HD1 TRP 3 83.658 -7.483 -3.232 24 HE1 TRP 3 HE1 TRP 3 83.950 -9.986 -2.685 25 HE3 TRP 3 HE3 TRP 3 81.454 -7.645 1.371 26 HZ2 TRP 3 HZ2 TRP 3 83.331 -11.814 -0.577 27 HZ3 TRP 3 HZ3 TRP 3 81.320 -9.779 2.626 28 HH2 TRP 3 HH2 TRP 3 82.255 -11.861 1.658 29 H GLN 4 H GLN 4 85.626 -6.582 -1.355 30 HA GLN 4 HA GLN 4 85.912 -7.891 1.184 31 1HB GLN 4 1HB GLN 4 87.901 -7.288 -1.032 32 2HB GLN 4 2HB GLN 4 88.131 -8.495 0.233 33 1HG GLN 4 1HG GLN 4 85.603 -8.642 -1.337 34 2HG GLN 4 2HG GLN 4 87.088 -9.127 -2.155 35 1HE2 GLN 4 2HE2 GLN 4 85.110 -9.800 0.756 36 2HE2 GLN 4 1HE2 GLN 4 85.701 -11.374 0.986 37 H PHE 5 H PHE 5 87.456 -4.993 -0.211 38 HA PHE 5 HA PHE 5 89.287 -4.448 1.905 39 1HB PHE 5 1HB PHE 5 89.340 -3.397 -0.308 40 2HB PHE 5 2HB PHE 5 87.774 -2.643 -0.013 41 HD1 PHE 5 HD1 PHE 5 90.361 -3.018 2.595 42 HD2 PHE 5 HD2 PHE 5 88.543 -0.352 -0.240 43 HE1 PHE 5 HE1 PHE 5 91.496 -1.095 3.674 44 HE2 PHE 5 HE2 PHE 5 89.680 1.571 0.838 45 HZ PHE 5 HZ PHE 5 91.157 1.198 2.792 46 H ASN 6 H ASN 6 85.986 -3.165 1.343 47 HA ASN 6 HA ASN 6 85.668 -1.499 3.545 48 1HB ASN 6 1HB ASN 6 83.929 -3.339 1.960 49 2HB ASN 6 2HB ASN 6 83.243 -2.651 3.433 50 1HD2 ASN 6 2HD2 ASN 6 81.877 -1.031 2.569 51 2HD2 ASN 6 1HD2 ASN 6 82.422 0.229 1.572 52 H GLY 7 H GLY 7 85.205 -5.052 3.498 53 1HA GLY 7 1HA GLY 7 84.422 -5.407 6.179 54 2HA GLY 7 2HA GLY 7 85.329 -6.607 5.256 55 H MET 8 H MET 8 87.726 -5.300 4.822 56 HA MET 8 HA MET 8 89.206 -5.750 7.177 57 1HB MET 8 1HB MET 8 89.650 -3.992 4.748 58 2HB MET 8 2HB MET 8 90.907 -4.290 5.950 59 1HG MET 8 1HG MET 8 90.457 -6.789 5.571 60 2HG MET 8 2HG MET 8 89.546 -6.295 4.144 61 1HE MET 8 1HE MET 8 90.863 -7.850 3.018 62 2HE MET 8 2HE MET 8 92.367 -7.480 2.181 63 3HE MET 8 3HE MET 8 92.405 -8.205 3.795 64 H ILE 9 H ILE 9 88.152 -2.582 5.850 65 HA ILE 9 HA ILE 9 89.113 -0.883 7.853 66 HB ILE 9 HB ILE 9 86.514 -0.857 6.288 67 1HG1 ILE 9 1HG1 ILE 9 89.247 0.386 5.851 68 2HG1 ILE 9 2HG1 ILE 9 88.479 -0.857 4.862 69 1HG2 ILE 9 1HG2 ILE 9 87.199 0.757 8.472 70 2HG2 ILE 9 2HG2 ILE 9 87.593 1.734 7.059 71 3HG2 ILE 9 3HG2 ILE 9 85.960 1.102 7.265 72 1HD1 ILE 9 1HD1 ILE 9 86.556 1.068 4.818 73 2HD1 ILE 9 2HD1 ILE 9 88.009 2.063 4.920 74 3HD1 ILE 9 3HD1 ILE 9 87.816 0.917 3.593 75 H LYS 10 H LYS 10 86.235 -2.957 7.921 76 HA LYS 10 HA LYS 10 85.205 -1.886 10.422 77 1HB LYS 10 1HB LYS 10 84.669 -4.141 8.539 78 2HB LYS 10 2HB LYS 10 84.013 -4.277 10.170 79 1HG LYS 10 1HG LYS 10 83.329 -1.719 9.622 80 2HG LYS 10 2HG LYS 10 83.292 -2.391 7.992 81 1HD LYS 10 1HD LYS 10 81.998 -4.356 9.346 82 2HD LYS 10 2HD LYS 10 81.526 -2.952 10.306 83 1HE LYS 10 1HE LYS 10 80.751 -1.806 8.245 84 2HE LYS 10 2HE LYS 10 81.192 -3.240 7.297 85 1HZ LYS 10 1HZ LYS 10 79.810 -4.475 9.075 86 2HZ LYS 10 2HZ LYS 10 79.110 -2.958 9.365 87 3HZ LYS 10 3HZ LYS 10 78.996 -3.664 7.824 88 H CYS 11 H CYS 11 87.363 -4.552 9.531 89 HA CYS 11 HA CYS 11 87.364 -5.893 12.049 90 1HB CYS 11 1HB CYS 11 88.156 -6.739 9.814 91 2HB CYS 11 2HB CYS 11 89.558 -5.683 9.972 92 H LYS 12 H LYS 12 89.658 -3.550 10.634 93 HA LYS 12 HA LYS 12 91.287 -3.304 13.002 94 1HB LYS 12 1HB LYS 12 90.836 -1.731 10.466 95 2HB LYS 12 2HB LYS 12 91.955 -1.152 11.701 96 1HG LYS 12 1HG LYS 12 92.342 -3.986 11.130 97 2HG LYS 12 2HG LYS 12 92.544 -2.990 9.687 98 1HD LYS 12 1HD LYS 12 94.679 -2.829 10.549 99 2HD LYS 12 2HD LYS 12 93.931 -1.466 11.381 100 1HE LYS 12 1HE LYS 12 93.421 -2.990 13.315 101 2HE LYS 12 2HE LYS 12 94.353 -4.260 12.495 102 1HZ LYS 12 1HZ LYS 12 96.229 -2.716 12.356 103 2HZ LYS 12 2HZ LYS 12 95.344 -1.554 13.224 104 3HZ LYS 12 3HZ LYS 12 95.789 -3.011 13.970 105 H ILE 13 H ILE 13 88.407 -1.611 11.832 106 HA ILE 13 HA ILE 13 88.284 -0.165 14.452 107 HB ILE 13 HB ILE 13 87.675 0.941 11.689 108 1HG1 ILE 13 1HG1 ILE 13 89.920 1.780 13.529 109 2HG1 ILE 13 2HG1 ILE 13 90.136 0.484 12.351 110 1HG2 ILE 13 1HG2 ILE 13 86.334 1.880 13.588 111 2HG2 ILE 13 2HG2 ILE 13 87.845 2.337 14.376 112 3HG2 ILE 13 3HG2 ILE 13 87.398 3.068 12.835 113 1HD1 ILE 13 1HD1 ILE 13 88.954 2.405 10.806 114 2HD1 ILE 13 2HD1 ILE 13 89.895 3.396 11.922 115 3HD1 ILE 13 3HD1 ILE 13 90.698 2.175 10.935 116 HA PRO 14 HA PRO 14 84.350 -2.371 13.687 117 1HB PRO 14 1HB PRO 14 83.916 -2.969 16.319 118 2HB PRO 14 2HB PRO 14 84.925 -3.969 15.254 119 1HG PRO 14 1HG PRO 14 85.730 -1.981 17.311 120 2HG PRO 14 2HG PRO 14 86.487 -3.517 16.864 121 1HD PRO 14 1HD PRO 14 87.405 -1.059 16.066 122 2HD PRO 14 2HD PRO 14 87.704 -2.572 15.183 123 H SER 15 H SER 15 85.289 0.323 15.657 124 HA SER 15 HA SER 15 82.558 1.041 16.473 125 1HB SER 15 1HB SER 15 83.730 2.966 17.463 126 2HB SER 15 2HB SER 15 84.586 1.472 17.838 127 HG SER 15 HG SER 15 85.181 3.214 15.670 128 H SER 16 H SER 16 84.428 1.443 13.638 129 HA SER 16 HA SER 16 82.751 3.795 12.818 130 1HB SER 16 1HB SER 16 85.562 2.914 12.126 131 2HB SER 16 2HB SER 16 84.711 4.160 11.216 132 HG SER 16 HG SER 16 84.680 5.438 12.988 133 H GLU 17 H GLU 17 82.670 3.822 10.253 134 HA GLU 17 HA GLU 17 82.169 1.039 9.257 135 1HB GLU 17 1HB GLU 17 80.448 3.498 9.348 136 2HB GLU 17 2HB GLU 17 80.221 2.345 8.033 137 1HG GLU 17 1HG GLU 17 80.456 1.078 10.674 138 2HG GLU 17 2HG GLU 17 79.058 2.141 10.524 139 HA PRO 18 HA PRO 18 84.592 2.441 5.853 140 1HB PRO 18 1HB PRO 18 83.880 0.529 4.032 141 2HB PRO 18 2HB PRO 18 84.970 0.208 5.395 142 1HG PRO 18 1HG PRO 18 82.088 -0.443 5.082 143 2HG PRO 18 2HG PRO 18 83.377 -1.367 5.866 144 1HD PRO 18 1HD PRO 18 81.512 0.125 7.216 145 2HD PRO 18 2HD PRO 18 83.122 -0.277 7.853 146 H LEU 19 H LEU 19 81.118 2.050 5.639 147 HA LEU 19 HA LEU 19 81.004 3.532 3.060 148 1HB LEU 19 1HB LEU 19 79.181 1.858 4.748 149 2HB LEU 19 2HB LEU 19 78.456 3.014 3.631 150 HG LEU 19 HG LEU 19 80.654 1.368 2.516 151 1HD1 LEU 19 1HD1 LEU 19 78.018 0.214 3.442 152 2HD1 LEU 19 2HD1 LEU 19 78.928 -0.501 2.111 153 3HD1 LEU 19 3HD1 LEU 19 79.642 -0.414 3.722 154 1HD2 LEU 19 1HD2 LEU 19 78.230 2.790 1.679 155 2HD2 LEU 19 2HD2 LEU 19 79.678 2.404 0.750 156 3HD2 LEU 19 3HD2 LEU 19 78.391 1.209 0.915 157 H LEU 20 H LEU 20 80.687 4.058 6.468 158 HA LEU 20 HA LEU 20 79.265 6.652 5.993 159 1HB LEU 20 1HB LEU 20 79.752 5.248 8.627 160 2HB LEU 20 2HB LEU 20 78.502 6.430 8.239 161 HG LEU 20 HG LEU 20 78.704 3.626 7.101 162 1HD1 LEU 20 1HD1 LEU 20 77.797 4.366 9.577 163 2HD1 LEU 20 2HD1 LEU 20 76.321 4.486 8.618 164 3HD1 LEU 20 3HD1 LEU 20 77.209 2.964 8.684 165 1HD2 LEU 20 1HD2 LEU 20 77.438 5.976 6.096 166 2HD2 LEU 20 2HD2 LEU 20 77.303 4.328 5.482 167 3HD2 LEU 20 3HD2 LEU 20 76.169 4.911 6.701 168 H ASP 21 H ASP 21 82.320 5.288 6.767 169 HA ASP 21 HA ASP 21 83.262 7.894 7.916 170 1HB ASP 21 1HB ASP 21 83.376 5.579 9.137 171 2HB ASP 21 2HB ASP 21 84.729 5.266 8.049 172 H PHE 22 H PHE 22 84.804 5.170 6.171 173 HA PHE 22 HA PHE 22 86.486 7.086 4.679 174 1HB PHE 22 1HB PHE 22 86.363 4.064 4.505 175 2HB PHE 22 2HB PHE 22 87.727 5.109 4.107 176 HD1 PHE 22 HD1 PHE 22 88.880 6.398 5.944 177 HD2 PHE 22 HD2 PHE 22 85.963 3.349 6.745 178 HE1 PHE 22 HE1 PHE 22 89.682 6.247 8.287 179 HE2 PHE 22 HE2 PHE 22 86.764 3.198 9.087 180 HZ PHE 22 HZ PHE 22 88.624 4.647 9.859 181 H ASN 23 H ASN 23 83.682 7.212 4.015 182 HA ASN 23 HA ASN 23 83.580 5.891 1.330 183 1HB ASN 23 1HB ASN 23 81.823 5.655 3.268 184 2HB ASN 23 2HB ASN 23 81.287 7.247 2.730 185 1HD2 ASN 23 2HD2 ASN 23 80.187 7.396 0.692 186 2HD2 ASN 23 1HD2 ASN 23 79.771 6.031 -0.227 187 H ASN 24 H ASN 24 84.289 7.289 -0.249 188 HA ASN 24 HA ASN 24 84.544 9.283 -1.495 189 1HB ASN 24 1HB ASN 24 82.039 8.880 -1.411 190 2HB ASN 24 2HB ASN 24 81.974 10.011 -0.058 191 1HD2 ASN 24 2HD2 ASN 24 82.995 9.797 -3.498 192 2HD2 ASN 24 1HD2 ASN 24 82.768 11.446 -3.827 193 H TYR 25 H TYR 25 86.238 9.430 0.539 194 HA TYR 25 HA TYR 25 85.766 12.107 1.815 195 1HB TYR 25 1HB TYR 25 85.674 10.451 3.516 196 2HB TYR 25 2HB TYR 25 86.989 9.524 2.796 197 HD1 TYR 25 HD1 TYR 25 89.324 10.629 2.711 198 HD2 TYR 25 HD2 TYR 25 86.109 12.060 5.175 199 HE1 TYR 25 HE1 TYR 25 90.954 11.845 4.131 200 HE2 TYR 25 HE2 TYR 25 87.738 13.274 6.595 201 HH TYR 25 HH TYR 25 91.214 13.278 5.816 202 H GLY 26 H GLY 26 87.784 13.363 2.154 203 1HA GLY 26 1HA GLY 26 89.713 14.326 1.191 204 2HA GLY 26 2HA GLY 26 90.363 12.698 1.370 205 H CYS 27 H CYS 27 91.532 13.366 -0.655 206 HA CYS 27 HA CYS 27 89.907 13.448 -3.122 207 1HB CYS 27 1HB CYS 27 92.896 13.500 -2.598 208 2HB CYS 27 2HB CYS 27 92.124 13.857 -4.143 209 H TYR 28 H TYR 28 91.605 11.069 -1.231 210 HA TYR 28 HA TYR 28 91.593 9.191 -3.565 211 1HB TYR 28 1HB TYR 28 93.189 9.393 -1.006 212 2HB TYR 28 2HB TYR 28 93.218 7.943 -2.012 213 HD1 TYR 28 HD1 TYR 28 93.760 8.252 -4.524 214 HD2 TYR 28 HD2 TYR 28 94.572 11.225 -1.532 215 HE1 TYR 28 HE1 TYR 28 95.397 9.333 -6.041 216 HE2 TYR 28 HE2 TYR 28 96.210 12.305 -3.049 217 HH TYR 28 HH TYR 28 96.653 11.172 -6.377 218 H CYS 29 H CYS 29 90.895 9.303 -0.040 219 HA CYS 29 HA CYS 29 89.817 6.744 0.314 220 1HB CYS 29 1HB CYS 29 88.760 9.358 1.438 221 2HB CYS 29 2HB CYS 29 88.599 7.764 2.173 222 H GLY 30 H GLY 30 88.627 6.044 -1.541 223 1HA GLY 30 1HA GLY 30 86.093 5.757 -1.858 224 2HA GLY 30 2HA GLY 30 86.072 7.510 -2.055 225 H LEU 31 H LEU 31 85.231 5.590 -4.054 226 HA LEU 31 HA LEU 31 87.385 5.550 -6.083 227 1HB LEU 31 1HB LEU 31 84.812 4.248 -5.524 228 2HB LEU 31 2HB LEU 31 85.026 4.649 -7.228 229 HG LEU 31 HG LEU 31 85.916 2.378 -6.600 230 1HD1 LEU 31 1HD1 LEU 31 87.305 4.540 -7.994 231 2HD1 LEU 31 2HD1 LEU 31 88.416 3.304 -7.403 232 3HD1 LEU 31 3HD1 LEU 31 87.087 2.856 -8.474 233 1HD2 LEU 31 1HD2 LEU 31 87.767 4.114 -4.944 234 2HD2 LEU 31 2HD2 LEU 31 86.745 2.790 -4.383 235 3HD2 LEU 31 3HD2 LEU 31 88.155 2.451 -5.387 236 H GLY 32 H GLY 32 85.500 7.949 -5.005 237 1HA GLY 32 1HA GLY 32 85.098 9.077 -7.747 238 2HA GLY 32 2HA GLY 32 83.925 9.345 -6.456 239 H GLY 33 H GLY 33 87.430 9.748 -7.064 240 1HA GLY 33 1HA GLY 33 87.586 12.497 -6.656 241 2HA GLY 33 2HA GLY 33 87.698 11.802 -5.038 242 H SER 34 H SER 34 89.830 13.225 -6.320 243 HA SER 34 HA SER 34 92.006 11.379 -5.897 244 1HB SER 34 1HB SER 34 92.723 11.431 -8.360 245 2HB SER 34 2HB SER 34 91.333 10.417 -7.981 246 HG SER 34 HG SER 34 91.239 12.032 -9.818 247 H GLY 35 H GLY 35 94.139 12.454 -6.523 248 1HA GLY 35 1HA GLY 35 95.203 14.577 -7.313 249 2HA GLY 35 2HA GLY 35 93.834 15.431 -6.600 250 H THR 36 H THR 36 96.069 16.401 -5.658 251 HA THR 36 HA THR 36 97.634 15.252 -3.697 252 HB THR 36 HB THR 36 96.232 17.938 -3.781 253 HG1 THR 36 HG1 THR 36 97.643 18.014 -5.350 254 1HG2 THR 36 1HG2 THR 36 97.048 17.194 -1.466 255 2HG2 THR 36 2HG2 THR 36 98.676 17.270 -2.139 256 3HG2 THR 36 3HG2 THR 36 97.680 18.725 -2.071 257 HA PRO 37 HA PRO 37 94.876 13.845 -0.567 258 1HB PRO 37 1HB PRO 37 96.622 13.789 1.543 259 2HB PRO 37 2HB PRO 37 96.643 12.587 0.236 260 1HG PRO 37 1HG PRO 37 98.386 14.966 0.645 261 2HG PRO 37 2HG PRO 37 98.803 13.349 0.057 262 1HD PRO 37 1HD PRO 37 98.482 15.496 -1.583 263 2HD PRO 37 2HD PRO 37 98.169 13.821 -2.093 264 H VAL 38 H VAL 38 94.016 14.579 1.605 265 HA VAL 38 HA VAL 38 94.292 17.553 1.902 266 HB VAL 38 HB VAL 38 91.942 17.493 2.568 267 1HG1 VAL 38 1HG1 VAL 38 92.918 16.843 0.028 268 2HG1 VAL 38 2HG1 VAL 38 91.615 15.687 0.308 269 3HG1 VAL 38 3HG1 VAL 38 91.295 17.419 0.407 270 1HG2 VAL 38 1HG2 VAL 38 92.082 15.301 3.760 271 2HG2 VAL 38 2HG2 VAL 38 90.703 15.389 2.666 272 3HG2 VAL 38 3HG2 VAL 38 92.144 14.488 2.196 273 H ASP 39 H ASP 39 94.585 14.484 3.473 274 HA ASP 39 HA ASP 39 95.489 15.796 5.952 275 1HB ASP 39 1HB ASP 39 92.812 15.215 5.658 276 2HB ASP 39 2HB ASP 39 93.413 13.767 6.466 277 H ASP 40 H ASP 40 95.657 13.698 7.643 278 HA ASP 40 HA ASP 40 97.717 12.024 6.491 279 1HB ASP 40 1HB ASP 40 96.140 12.003 9.082 280 2HB ASP 40 2HB ASP 40 97.493 10.915 8.770 281 H LEU 41 H LEU 41 94.319 11.413 7.472 282 HA LEU 41 HA LEU 41 94.272 8.624 6.890 283 1HB LEU 41 1HB LEU 41 92.553 10.057 8.090 284 2HB LEU 41 2HB LEU 41 92.032 10.633 6.506 285 HG LEU 41 HG LEU 41 91.732 8.190 5.851 286 1HD1 LEU 41 1HD1 LEU 41 93.137 7.267 7.674 287 2HD1 LEU 41 2HD1 LEU 41 91.955 7.831 8.854 288 3HD1 LEU 41 3HD1 LEU 41 91.512 6.581 7.691 289 1HD2 LEU 41 1HD2 LEU 41 90.048 9.959 7.246 290 2HD2 LEU 41 2HD2 LEU 41 89.552 8.546 6.314 291 3HD2 LEU 41 3HD2 LEU 41 89.844 8.401 8.047 292 H ASP 42 H ASP 42 93.671 11.462 4.816 293 HA ASP 42 HA ASP 42 92.862 10.077 2.462 294 1HB ASP 42 1HB ASP 42 92.771 12.555 2.996 295 2HB ASP 42 2HB ASP 42 94.504 12.619 2.674 296 H ARG 43 H ARG 43 96.083 10.913 3.721 297 HA ARG 43 HA ARG 43 97.683 10.193 1.507 298 1HB ARG 43 1HB ARG 43 97.956 10.194 4.500 299 2HB ARG 43 2HB ARG 43 99.265 9.536 3.519 300 1HG ARG 43 1HG ARG 43 98.371 12.010 2.363 301 2HG ARG 43 2HG ARG 43 98.730 12.262 4.073 302 1HD ARG 43 1HD ARG 43 100.700 12.510 2.443 303 2HD ARG 43 2HD ARG 43 100.966 11.425 3.814 304 HE ARG 43 HE ARG 43 99.818 9.920 1.716 305 1HH1 ARG 43 1HH1 ARG 43 102.397 12.064 1.511 306 2HH1 ARG 43 2HH1 ARG 43 103.556 10.890 0.979 307 1HH2 ARG 43 1HH2 ARG 43 101.430 8.190 1.450 308 2HH2 ARG 43 2HH2 ARG 43 103.008 8.697 0.945 309 H CYS 44 H CYS 44 96.237 8.193 4.055 310 HA CYS 44 HA CYS 44 97.492 5.738 3.378 311 1HB CYS 44 1HB CYS 44 94.714 6.202 4.492 312 2HB CYS 44 2HB CYS 44 95.729 4.786 4.750 313 H CYS 45 H CYS 45 94.367 7.143 2.375 314 HA CYS 45 HA CYS 45 93.510 5.006 0.691 315 1HB CYS 45 1HB CYS 45 93.041 8.002 0.501 316 2HB CYS 45 2HB CYS 45 92.038 6.760 -0.249 317 H GLN 46 H GLN 46 95.400 7.952 -0.041 318 HA GLN 46 HA GLN 46 95.693 7.643 -2.828 319 1HB GLN 46 1HB GLN 46 96.493 9.579 -1.558 320 2HB GLN 46 2HB GLN 46 97.658 8.568 -0.701 321 1HG GLN 46 1HG GLN 46 98.989 8.258 -2.619 322 2HG GLN 46 2HG GLN 46 97.689 8.731 -3.710 323 1HE2 GLN 46 2HE2 GLN 46 99.925 10.090 -4.225 324 2HE2 GLN 46 1HE2 GLN 46 99.895 11.654 -3.578 325 H THR 47 H THR 47 97.502 6.154 -0.165 326 HA THR 47 HA THR 47 99.420 4.737 -1.718 327 HB THR 47 HB THR 47 98.215 3.768 0.869 328 HG1 THR 47 HG1 THR 47 99.471 6.177 0.305 329 1HG2 THR 47 1HG2 THR 47 100.724 3.453 -0.627 330 2HG2 THR 47 2HG2 THR 47 100.960 3.823 1.082 331 3HG2 THR 47 3HG2 THR 47 100.012 2.415 0.609 332 H HIS 48 H HIS 48 96.087 4.043 -0.814 333 HA HIS 48 HA HIS 48 96.025 1.259 -1.505 334 1HB HIS 48 1HB HIS 48 94.353 2.586 -0.166 335 2HB HIS 48 2HB HIS 48 93.837 3.358 -1.665 336 HD1 HIS 48 HD1 HIS 48 91.603 2.315 -2.141 337 HD2 HIS 48 HD2 HIS 48 94.465 -0.538 -1.118 338 HE1 HIS 48 HE1 HIS 48 90.515 0.053 -2.485 339 H ASP 49 H ASP 49 95.012 4.154 -3.347 340 HA ASP 49 HA ASP 49 94.428 2.829 -5.786 341 1HB ASP 49 1HB ASP 49 95.092 5.587 -4.853 342 2HB ASP 49 2HB ASP 49 95.133 5.288 -6.591 343 H ASN 50 H ASN 50 97.428 4.293 -4.564 344 HA ASN 50 HA ASN 50 99.042 3.955 -6.868 345 1HB ASN 50 1HB ASN 50 99.441 4.220 -3.906 346 2HB ASN 50 2HB ASN 50 100.837 3.880 -4.928 347 1HD2 ASN 50 2HD2 ASN 50 100.259 6.408 -3.451 348 2HD2 ASN 50 1HD2 ASN 50 100.184 7.627 -4.630 349 H CYS 51 H CYS 51 98.408 1.803 -4.106 350 HA CYS 51 HA CYS 51 100.253 -0.267 -4.815 351 1HB CYS 51 1HB CYS 51 98.880 0.228 -2.661 352 2HB CYS 51 2HB CYS 51 97.590 -0.679 -3.452 353 H TYR 52 H TYR 52 97.028 0.531 -5.960 354 HA TYR 52 HA TYR 52 96.508 -2.031 -7.241 355 1HB TYR 52 1HB TYR 52 95.343 0.723 -7.138 356 2HB TYR 52 2HB TYR 52 94.839 -0.332 -8.460 357 HD1 TYR 52 HD1 TYR 52 95.655 -0.916 -4.841 358 HD2 TYR 52 HD2 TYR 52 92.778 -1.317 -8.006 359 HE1 TYR 52 HE1 TYR 52 94.132 -2.124 -3.302 360 HE2 TYR 52 HE2 TYR 52 91.255 -2.527 -6.466 361 HH TYR 52 HH TYR 52 92.285 -3.527 -3.271 362 H LYS 53 H LYS 53 98.172 0.925 -8.119 363 HA LYS 53 HA LYS 53 98.231 0.383 -11.001 364 1HB LYS 53 1HB LYS 53 100.206 2.119 -9.527 365 2HB LYS 53 2HB LYS 53 99.454 2.394 -11.095 366 1HG LYS 53 1HG LYS 53 97.409 2.276 -9.087 367 2HG LYS 53 2HG LYS 53 98.646 3.414 -8.579 368 1HD LYS 53 1HD LYS 53 97.364 4.813 -9.896 369 2HD LYS 53 2HD LYS 53 98.473 4.190 -11.119 370 1HE LYS 53 1HE LYS 53 96.837 2.500 -11.803 371 2HE LYS 53 2HE LYS 53 95.731 3.021 -10.516 372 1HZ LYS 53 1HZ LYS 53 96.069 5.339 -11.538 373 2HZ LYS 53 2HZ LYS 53 96.600 4.504 -12.915 374 3HZ LYS 53 3HZ LYS 53 95.025 4.257 -12.329 375 H GLN 54 H GLN 54 100.591 0.345 -8.357 376 HA GLN 54 HA GLN 54 102.781 -0.797 -9.711 377 1HB GLN 54 1HB GLN 54 101.744 -0.799 -6.886 378 2HB GLN 54 2HB GLN 54 103.184 -1.735 -7.280 379 1HG GLN 54 1HG GLN 54 104.233 0.306 -8.227 380 2HG GLN 54 2HG GLN 54 102.806 1.234 -7.764 381 1HE2 GLN 54 2HE2 GLN 54 102.628 -0.597 -5.248 382 2HE2 GLN 54 1HE2 GLN 54 103.776 0.073 -4.194 383 H ALA 55 H ALA 55 99.962 -2.315 -8.203 384 HA ALA 55 HA ALA 55 100.792 -5.045 -8.424 385 1HB ALA 55 1HB ALA 55 98.061 -3.718 -8.488 386 2HB ALA 55 2HB ALA 55 98.329 -5.440 -8.218 387 3HB ALA 55 3HB ALA 55 98.921 -4.261 -7.047 388 H LYS 56 H LYS 56 99.159 -2.849 -10.692 389 HA LYS 56 HA LYS 56 98.485 -4.787 -12.689 390 1HB LYS 56 1HB LYS 56 99.161 -1.831 -12.833 391 2HB LYS 56 2HB LYS 56 98.392 -2.740 -14.135 392 1HG LYS 56 1HG LYS 56 96.996 -3.235 -11.662 393 2HG LYS 56 2HG LYS 56 97.125 -1.497 -11.930 394 1HD LYS 56 1HD LYS 56 96.248 -3.382 -14.121 395 2HD LYS 56 2HD LYS 56 95.098 -2.680 -12.983 396 1HE LYS 56 1HE LYS 56 96.941 -0.686 -14.106 397 2HE LYS 56 2HE LYS 56 95.922 -1.469 -15.330 398 1HZ LYS 56 1HZ LYS 56 94.702 -0.707 -12.776 399 2HZ LYS 56 2HZ LYS 56 95.007 0.520 -13.907 400 3HZ LYS 56 3HZ LYS 56 94.006 -0.789 -14.323 401 H LYS 57 H LYS 57 101.290 -2.552 -12.520 402 HA LYS 57 HA LYS 57 102.638 -3.555 -14.801 403 1HB LYS 57 1HB LYS 57 103.085 -1.785 -12.533 404 2HB LYS 57 2HB LYS 57 104.561 -2.633 -12.991 405 1HG LYS 57 1HG LYS 57 104.501 -0.638 -14.315 406 2HG LYS 57 2HG LYS 57 104.054 -1.960 -15.395 407 1HD LYS 57 1HD LYS 57 101.622 -1.208 -14.305 408 2HD LYS 57 2HD LYS 57 102.462 0.332 -14.502 409 1HE LYS 57 1HE LYS 57 102.613 -1.601 -16.780 410 2HE LYS 57 2HE LYS 57 101.080 -0.747 -16.526 411 1HZ LYS 57 1HZ LYS 57 103.197 1.054 -16.110 412 2HZ LYS 57 2HZ LYS 57 103.451 0.281 -17.602 413 3HZ LYS 57 3HZ LYS 57 101.996 1.102 -17.311 414 H LEU 58 H LEU 58 102.525 -4.698 -11.473 415 HA LEU 58 HA LEU 58 104.810 -6.304 -11.336 416 1HB LEU 58 1HB LEU 58 102.190 -6.055 -10.074 417 2HB LEU 58 2HB LEU 58 102.783 -7.717 -10.048 418 HG LEU 58 HG LEU 58 104.646 -5.481 -9.316 419 1HD1 LEU 58 1HD1 LEU 58 102.484 -6.689 -7.576 420 2HD1 LEU 58 2HD1 LEU 58 103.916 -5.905 -6.909 421 3HD1 LEU 58 3HD1 LEU 58 102.783 -4.981 -7.898 422 1HD2 LEU 58 1HD2 LEU 58 105.473 -7.801 -9.605 423 2HD2 LEU 58 2HD2 LEU 58 105.637 -7.261 -7.934 424 3HD2 LEU 58 3HD2 LEU 58 104.327 -8.352 -8.383 425 H ASP 59 H ASP 59 105.457 -7.944 -12.665 426 HA ASP 59 HA ASP 59 104.072 -9.061 -14.811 427 1HB ASP 59 1HB ASP 59 106.269 -9.981 -12.980 428 2HB ASP 59 2HB ASP 59 105.684 -11.068 -14.240 429 H SER 60 H SER 60 104.463 -10.675 -11.624 430 HA SER 60 HA SER 60 102.865 -12.889 -11.901 431 1HB SER 60 1HB SER 60 103.160 -10.890 -9.657 432 2HB SER 60 2HB SER 60 102.219 -12.364 -9.451 433 HG SER 60 HG SER 60 104.760 -12.580 -10.584 434 H CYS 61 H CYS 61 101.764 -9.546 -11.576 435 HA CYS 61 HA CYS 61 98.916 -10.387 -11.612 436 1HB CYS 61 1HB CYS 61 100.395 -7.757 -11.325 437 2HB CYS 61 2HB CYS 61 98.637 -7.875 -11.325 438 H LYS 62 H LYS 62 101.368 -8.918 -13.664 439 HA LYS 62 HA LYS 62 99.425 -8.162 -15.747 440 1HB LYS 62 1HB LYS 62 101.558 -6.929 -15.083 441 2HB LYS 62 2HB LYS 62 102.451 -8.243 -15.849 442 1HG LYS 62 1HG LYS 62 101.623 -7.725 -17.989 443 2HG LYS 62 2HG LYS 62 100.265 -6.804 -17.341 444 1HD LYS 62 1HD LYS 62 101.477 -4.902 -17.277 445 2HD LYS 62 2HD LYS 62 102.818 -5.709 -16.464 446 1HE LYS 62 1HE LYS 62 102.650 -6.594 -19.222 447 2HE LYS 62 2HE LYS 62 102.784 -4.826 -19.137 448 1HZ LYS 62 1HZ LYS 62 104.548 -5.215 -17.403 449 2HZ LYS 62 2HZ LYS 62 104.548 -6.845 -17.871 450 3HZ LYS 62 3HZ LYS 62 104.979 -5.642 -18.990 451 H VAL 63 H VAL 63 100.478 -11.081 -14.780 452 HA VAL 63 HA VAL 63 100.660 -12.146 -17.581 453 HB VAL 63 HB VAL 63 102.778 -12.161 -16.203 454 1HG1 VAL 63 1HG1 VAL 63 101.432 -12.628 -14.054 455 2HG1 VAL 63 2HG1 VAL 63 101.409 -14.310 -14.582 456 3HG1 VAL 63 3HG1 VAL 63 102.946 -13.508 -14.259 457 1HG2 VAL 63 1HG2 VAL 63 101.456 -14.468 -17.477 458 2HG2 VAL 63 2HG2 VAL 63 103.073 -13.814 -17.737 459 3HG2 VAL 63 3HG2 VAL 63 102.772 -14.907 -16.387 460 H LEU 64 H LEU 64 98.543 -11.873 -15.173 461 HA LEU 64 HA LEU 64 97.681 -14.735 -15.141 462 1HB LEU 64 1HB LEU 64 97.386 -12.327 -13.398 463 2HB LEU 64 2HB LEU 64 96.073 -13.506 -13.375 464 HG LEU 64 HG LEU 64 97.928 -13.892 -11.668 465 1HD1 LEU 64 1HD1 LEU 64 96.887 -15.856 -13.658 466 2HD1 LEU 64 2HD1 LEU 64 98.169 -16.403 -12.575 467 3HD1 LEU 64 3HD1 LEU 64 96.653 -15.794 -11.911 468 1HD2 LEU 64 1HD2 LEU 64 99.671 -13.335 -13.568 469 2HD2 LEU 64 2HD2 LEU 64 100.057 -14.558 -12.358 470 3HD2 LEU 64 3HD2 LEU 64 99.495 -15.047 -13.958 471 H VAL 65 H VAL 65 95.939 -11.601 -15.118 472 HA VAL 65 HA VAL 65 94.481 -12.336 -17.534 473 HB VAL 65 HB VAL 65 93.284 -12.101 -14.785 474 1HG1 VAL 65 1HG1 VAL 65 92.068 -11.816 -17.492 475 2HG1 VAL 65 2HG1 VAL 65 91.159 -12.748 -16.303 476 3HG1 VAL 65 3HG1 VAL 65 91.593 -11.073 -15.965 477 1HG2 VAL 65 1HG2 VAL 65 93.654 -14.320 -16.777 478 2HG2 VAL 65 2HG2 VAL 65 93.954 -14.327 -15.040 479 3HG2 VAL 65 3HG2 VAL 65 92.300 -14.387 -15.648 480 H ASP 66 H ASP 66 96.188 -10.211 -16.336 481 HA ASP 66 HA ASP 66 96.275 -7.830 -16.168 482 1HB ASP 66 1HB ASP 66 94.718 -8.575 -18.649 483 2HB ASP 66 2HB ASP 66 95.182 -6.905 -18.318 484 H ASN 67 H ASN 67 94.514 -8.471 -14.256 485 HA ASN 67 HA ASN 67 92.634 -6.276 -14.236 486 1HB ASN 67 1HB ASN 67 91.851 -8.548 -15.663 487 2HB ASN 67 2HB ASN 67 91.033 -8.716 -14.109 488 1HD2 ASN 67 2HD2 ASN 67 89.935 -6.548 -13.341 489 2HD2 ASN 67 1HD2 ASN 67 89.140 -5.650 -14.543 490 HA PRO 68 HA PRO 68 93.727 -8.164 -10.174 491 1HB PRO 68 1HB PRO 68 94.577 -5.833 -9.022 492 2HB PRO 68 2HB PRO 68 95.640 -6.877 -9.986 493 1HG PRO 68 1HG PRO 68 94.295 -4.339 -10.736 494 2HG PRO 68 2HG PRO 68 95.882 -4.964 -11.211 495 1HD PRO 68 1HD PRO 68 93.634 -5.037 -12.801 496 2HD PRO 68 2HD PRO 68 95.032 -6.121 -12.977 497 H TYR 69 H TYR 69 91.432 -6.117 -11.422 498 HA TYR 69 HA TYR 69 90.244 -5.233 -8.865 499 1HB TYR 69 1HB TYR 69 90.277 -4.408 -11.560 500 2HB TYR 69 2HB TYR 69 88.617 -4.916 -11.246 501 HD1 TYR 69 HD1 TYR 69 91.370 -2.974 -9.572 502 HD2 TYR 69 HD2 TYR 69 87.155 -3.354 -10.300 503 HE1 TYR 69 HE1 TYR 69 90.964 -0.879 -8.310 504 HE2 TYR 69 HE2 TYR 69 86.747 -1.259 -9.037 505 HH TYR 69 HH TYR 69 87.938 0.050 -7.221 506 H THR 70 H THR 70 90.459 -8.179 -9.784 507 HA THR 70 HA THR 70 87.932 -9.045 -8.755 508 HB THR 70 HB THR 70 87.317 -8.188 -11.035 509 HG1 THR 70 HG1 THR 70 87.065 -10.973 -11.108 510 1HG2 THR 70 1HG2 THR 70 89.661 -9.668 -11.733 511 2HG2 THR 70 2HG2 THR 70 88.288 -10.383 -12.577 512 3HG2 THR 70 3HG2 THR 70 88.650 -8.670 -12.778 513 H ASN 71 H ASN 71 90.902 -9.559 -8.623 514 HA ASN 71 HA ASN 71 91.289 -12.272 -9.659 515 1HB ASN 71 1HB ASN 71 93.170 -10.782 -9.526 516 2HB ASN 71 2HB ASN 71 92.819 -10.391 -7.841 517 1HD2 ASN 71 2HD2 ASN 71 94.346 -11.385 -6.523 518 2HD2 ASN 71 1HD2 ASN 71 94.946 -12.959 -6.739 519 H ASN 72 H ASN 72 92.000 -14.009 -8.006 520 HA ASN 72 HA ASN 72 89.887 -14.670 -6.248 521 1HB ASN 72 1HB ASN 72 92.581 -15.574 -6.945 522 2HB ASN 72 2HB ASN 72 92.175 -15.922 -5.262 523 1HD2 ASN 72 2HD2 ASN 72 92.376 -18.182 -6.712 524 2HD2 ASN 72 1HD2 ASN 72 90.859 -18.799 -7.158 525 H TYR 73 H TYR 73 89.337 -13.052 -4.737 526 HA TYR 73 HA TYR 73 91.497 -12.093 -2.900 527 1HB TYR 73 1HB TYR 73 89.802 -10.641 -4.322 528 2HB TYR 73 2HB TYR 73 88.692 -11.020 -3.004 529 HD1 TYR 73 HD1 TYR 73 90.975 -11.233 -0.878 530 HD2 TYR 73 HD2 TYR 73 89.925 -8.256 -3.790 531 HE1 TYR 73 HE1 TYR 73 92.038 -9.487 0.524 532 HE2 TYR 73 HE2 TYR 73 90.988 -6.509 -2.387 533 HH TYR 73 HH TYR 73 91.618 -6.131 -0.086 534 H SER 74 H SER 74 91.587 -13.202 -0.988 535 HA SER 74 HA SER 74 89.044 -13.908 0.387 536 1HB SER 74 1HB SER 74 89.294 -16.077 -0.197 537 2HB SER 74 2HB SER 74 90.796 -15.701 -1.035 538 HG SER 74 HG SER 74 91.822 -16.564 0.572 539 H TYR 75 H TYR 75 89.263 -13.085 2.423 540 HA TYR 75 HA TYR 75 91.869 -13.421 3.833 541 1HB TYR 75 1HB TYR 75 92.004 -11.092 4.322 542 2HB TYR 75 2HB TYR 75 91.578 -11.165 2.613 543 HD1 TYR 75 HD1 TYR 75 90.280 -10.524 6.026 544 HD2 TYR 75 HD2 TYR 75 89.395 -10.450 1.824 545 HE1 TYR 75 HE1 TYR 75 88.221 -9.218 6.482 546 HE2 TYR 75 HE2 TYR 75 87.336 -9.143 2.281 547 HH TYR 75 HH TYR 75 86.284 -7.872 3.875 548 H SER 76 H SER 76 91.372 -12.333 6.211 549 HA SER 76 HA SER 76 88.630 -13.006 7.113 550 1HB SER 76 1HB SER 76 90.902 -14.763 7.257 551 2HB SER 76 2HB SER 76 90.429 -14.306 8.890 552 HG SER 76 HG SER 76 89.295 -16.151 8.014 553 H CYS 77 H CYS 77 88.403 -12.438 9.504 554 HA CYS 77 HA CYS 77 90.282 -10.208 10.212 555 1HB CYS 77 1HB CYS 77 88.120 -9.357 9.622 556 2HB CYS 77 2HB CYS 77 87.308 -10.585 10.578 557 H SER 78 H SER 78 90.375 -9.816 12.572 558 HA SER 78 HA SER 78 89.497 -11.551 14.615 559 1HB SER 78 1HB SER 78 90.586 -13.466 14.080 560 2HB SER 78 2HB SER 78 91.506 -12.652 12.819 561 HG SER 78 HG SER 78 93.097 -12.962 14.171 562 H ASN 79 H ASN 79 90.346 -10.883 16.630 563 HA ASN 79 HA ASN 79 91.318 -9.242 18.049 564 1HB ASN 79 1HB ASN 79 93.678 -10.105 16.344 565 2HB ASN 79 2HB ASN 79 93.761 -9.462 17.985 566 1HD2 ASN 79 2HD2 ASN 79 94.869 -11.968 17.623 567 2HD2 ASN 79 1HD2 ASN 79 93.867 -13.167 18.290 568 H ASN 80 H ASN 80 90.040 -7.912 16.006 569 HA ASN 80 HA ASN 80 90.054 -5.985 14.680 570 1HB ASN 80 1HB ASN 80 92.153 -5.158 16.679 571 2HB ASN 80 2HB ASN 80 90.914 -4.170 15.937 572 1HD2 ASN 80 2HD2 ASN 80 88.854 -6.245 16.298 573 2HD2 ASN 80 1HD2 ASN 80 88.509 -6.217 17.942 574 H GLU 81 H GLU 81 91.764 -8.037 13.770 575 HA GLU 81 HA GLU 81 93.857 -6.433 12.424 576 1HB GLU 81 1HB GLU 81 94.033 -9.092 13.817 577 2HB GLU 81 2HB GLU 81 95.208 -8.637 12.580 578 1HG GLU 81 1HG GLU 81 94.967 -6.381 14.228 579 2HG GLU 81 2HG GLU 81 95.019 -7.755 15.325 580 H ILE 82 H ILE 82 94.368 -7.169 10.279 581 HA ILE 82 HA ILE 82 92.123 -8.646 9.009 582 HB ILE 82 HB ILE 82 94.465 -7.105 7.847 583 1HG1 ILE 82 1HG1 ILE 82 91.575 -6.279 8.276 584 2HG1 ILE 82 2HG1 ILE 82 92.928 -5.751 9.275 585 1HG2 ILE 82 1HG2 ILE 82 92.281 -8.698 6.700 586 2HG2 ILE 82 2HG2 ILE 82 92.356 -7.058 6.056 587 3HG2 ILE 82 3HG2 ILE 82 93.762 -8.116 5.940 588 1HD1 ILE 82 1HD1 ILE 82 92.794 -5.323 6.280 589 2HD1 ILE 82 2HD1 ILE 82 92.281 -4.116 7.460 590 3HD1 ILE 82 3HD1 ILE 82 93.967 -4.634 7.403 591 H THR 83 H THR 83 92.380 -10.609 8.031 592 HA THR 83 HA THR 83 95.095 -11.882 8.163 593 HB THR 83 HB THR 83 92.301 -12.723 8.811 594 HG1 THR 83 HG1 THR 83 93.606 -13.890 10.403 595 1HG2 THR 83 1HG2 THR 83 92.983 -14.292 7.000 596 2HG2 THR 83 2HG2 THR 83 94.425 -14.699 7.931 597 3HG2 THR 83 3HG2 THR 83 92.827 -15.096 8.562 598 H CYS 84 H CYS 84 95.932 -12.157 6.124 599 HA CYS 84 HA CYS 84 94.035 -12.457 3.829 600 1HB CYS 84 1HB CYS 84 96.753 -11.314 4.284 601 2HB CYS 84 2HB CYS 84 96.438 -12.017 2.698 602 H SER 85 H SER 85 93.858 -14.483 2.962 603 HA SER 85 HA SER 85 94.959 -16.845 3.860 604 1HB SER 85 1HB SER 85 94.207 -15.887 1.093 605 2HB SER 85 2HB SER 85 94.657 -17.563 1.395 606 HG SER 85 HG SER 85 93.000 -17.154 3.249 607 H SER 86 H SER 86 97.039 -17.592 4.012 608 HA SER 86 HA SER 86 99.309 -16.176 2.985 609 1HB SER 86 1HB SER 86 100.527 -18.089 3.865 610 2HB SER 86 2HB SER 86 99.183 -17.752 4.952 611 HG SER 86 HG SER 86 99.693 -19.940 3.414 612 H GLU 87 H GLU 87 97.261 -18.657 1.610 613 HA GLU 87 HA GLU 87 98.949 -19.792 -0.351 614 1HB GLU 87 1HB GLU 87 96.024 -19.174 -0.067 615 2HB GLU 87 2HB GLU 87 96.615 -19.812 -1.601 616 1HG GLU 87 1HG GLU 87 97.771 -21.308 0.577 617 2HG GLU 87 2HG GLU 87 96.016 -21.275 0.746 618 H ASN 88 H ASN 88 97.544 -16.606 -0.147 619 HA ASN 88 HA ASN 88 97.416 -15.692 -2.752 620 1HB ASN 88 1HB ASN 88 98.480 -14.437 -0.215 621 2HB ASN 88 2HB ASN 88 98.248 -13.505 -1.696 622 1HD2 ASN 88 2HD2 ASN 88 96.486 -12.248 -0.738 623 2HD2 ASN 88 1HD2 ASN 88 94.963 -12.942 -0.455 624 H ASN 89 H ASN 89 98.902 -15.157 -4.355 625 HA ASN 89 HA ASN 89 101.745 -15.913 -3.834 626 1HB ASN 89 1HB ASN 89 101.787 -16.032 -6.340 627 2HB ASN 89 2HB ASN 89 100.573 -17.091 -5.621 628 1HD2 ASN 89 2HD2 ASN 89 99.864 -16.615 -8.112 629 2HD2 ASN 89 1HD2 ASN 89 98.719 -15.372 -8.271 630 H ALA 90 H ALA 90 103.123 -14.537 -5.664 631 HA ALA 90 HA ALA 90 103.685 -12.032 -4.686 632 1HB ALA 90 1HB ALA 90 104.835 -13.354 -6.505 633 2HB ALA 90 2HB ALA 90 103.610 -12.764 -7.627 634 3HB ALA 90 3HB ALA 90 104.709 -11.629 -6.845 635 H CYS 91 H CYS 91 101.024 -12.874 -6.872 636 HA CYS 91 HA CYS 91 100.251 -10.041 -7.215 637 1HB CYS 91 1HB CYS 91 100.168 -11.978 -8.932 638 2HB CYS 91 2HB CYS 91 98.727 -12.507 -8.063 639 H GLU 92 H GLU 92 98.411 -12.950 -6.207 640 HA GLU 92 HA GLU 92 96.259 -11.632 -4.966 641 1HB GLU 92 1HB GLU 92 97.013 -14.186 -5.440 642 2HB GLU 92 2HB GLU 92 97.338 -14.106 -3.709 643 1HG GLU 92 1HG GLU 92 95.103 -13.701 -3.169 644 2HG GLU 92 2HG GLU 92 94.729 -13.064 -4.772 645 H ALA 93 H ALA 93 99.532 -12.124 -3.844 646 HA ALA 93 HA ALA 93 98.951 -11.473 -1.042 647 1HB ALA 93 1HB ALA 93 100.823 -12.941 -2.103 648 2HB ALA 93 2HB ALA 93 101.638 -11.409 -2.415 649 3HB ALA 93 3HB ALA 93 101.262 -11.887 -0.760 650 H PHE 94 H PHE 94 100.476 -9.821 -3.824 651 HA PHE 94 HA PHE 94 101.124 -7.377 -2.500 652 1HB PHE 94 1HB PHE 94 101.813 -8.285 -4.795 653 2HB PHE 94 2HB PHE 94 100.248 -7.721 -5.380 654 HD1 PHE 94 HD1 PHE 94 103.203 -6.505 -3.411 655 HD2 PHE 94 HD2 PHE 94 100.066 -5.537 -6.181 656 HE1 PHE 94 HE1 PHE 94 104.113 -4.209 -3.640 657 HE2 PHE 94 HE2 PHE 94 100.976 -3.241 -6.409 658 HZ PHE 94 HZ PHE 94 102.999 -2.577 -5.139 659 H ILE 95 H ILE 95 98.172 -8.438 -4.189 660 HA ILE 95 HA ILE 95 96.748 -5.949 -4.002 661 HB ILE 95 HB ILE 95 95.836 -8.843 -4.141 662 1HG1 ILE 95 1HG1 ILE 95 95.984 -6.851 -6.404 663 2HG1 ILE 95 2HG1 ILE 95 97.385 -7.826 -5.958 664 1HG2 ILE 95 1HG2 ILE 95 94.189 -6.878 -3.457 665 2HG2 ILE 95 2HG2 ILE 95 94.241 -6.532 -5.185 666 3HG2 ILE 95 3HG2 ILE 95 93.688 -8.107 -4.618 667 1HD1 ILE 95 1HD1 ILE 95 95.964 -9.877 -6.199 668 2HD1 ILE 95 2HD1 ILE 95 94.660 -8.852 -6.798 669 3HD1 ILE 95 3HD1 ILE 95 96.164 -8.988 -7.709 670 H CYS 96 H CYS 96 96.777 -8.857 -1.919 671 HA CYS 96 HA CYS 96 94.862 -7.956 0.002 672 1HB CYS 96 1HB CYS 96 96.521 -10.164 -0.497 673 2HB CYS 96 2HB CYS 96 97.035 -9.572 1.082 674 H ASN 97 H ASN 97 98.212 -7.140 -0.529 675 HA ASN 97 HA ASN 97 98.666 -6.028 2.142 676 1HB ASN 97 1HB ASN 97 100.099 -6.285 -0.475 677 2HB ASN 97 2HB ASN 97 100.685 -5.081 0.672 678 1HD2 ASN 97 2HD2 ASN 97 102.538 -6.906 0.394 679 2HD2 ASN 97 1HD2 ASN 97 102.515 -8.092 1.602 680 H CYS 98 H CYS 98 97.473 -4.881 -0.948 681 HA CYS 98 HA CYS 98 97.892 -2.056 -0.513 682 1HB CYS 98 1HB CYS 98 95.801 -3.522 -2.158 683 2HB CYS 98 2HB CYS 98 96.360 -1.870 -2.414 684 H ASP 99 H ASP 99 94.963 -4.098 -0.240 685 HA ASP 99 HA ASP 99 93.368 -2.042 1.034 686 1HB ASP 99 1HB ASP 99 93.195 -5.044 0.693 687 2HB ASP 99 2HB ASP 99 91.931 -4.123 1.507 688 H ARG 100 H ARG 100 95.433 -4.664 2.193 689 HA ARG 100 HA ARG 100 94.626 -4.707 4.935 690 1HB ARG 100 1HB ARG 100 95.980 -6.448 3.968 691 2HB ARG 100 2HB ARG 100 97.209 -5.294 3.461 692 1HG ARG 100 1HG ARG 100 98.123 -6.255 5.411 693 2HG ARG 100 2HG ARG 100 97.436 -4.734 5.980 694 1HD ARG 100 1HD ARG 100 96.656 -6.346 7.551 695 2HD ARG 100 2HD ARG 100 95.285 -6.132 6.450 696 HE ARG 100 HE ARG 100 95.594 -8.420 6.001 697 1HH1 ARG 100 1HH2 ARG 100 97.787 -8.946 7.891 698 2HH1 ARG 100 2HH2 ARG 100 99.096 -9.400 6.853 699 1HH2 ARG 100 1HH1 ARG 100 97.632 -8.091 3.994 700 2HH2 ARG 100 2HH1 ARG 100 99.009 -8.916 4.645 701 H ASN 101 H ASN 101 97.552 -3.195 3.544 702 HA ASN 101 HA ASN 101 98.279 -1.653 5.804 703 1HB ASN 101 1HB ASN 101 98.745 -1.648 2.857 704 2HB ASN 101 2HB ASN 101 99.226 -0.206 3.744 705 1HD2 ASN 101 2HD2 ASN 101 101.405 -1.282 2.837 706 2HD2 ASN 101 1HD2 ASN 101 102.193 -2.301 3.937 707 H ALA 102 H ALA 102 95.761 -1.151 3.442 708 HA ALA 102 HA ALA 102 95.424 1.702 3.842 709 1HB ALA 102 1HB ALA 102 93.844 -0.578 2.666 710 2HB ALA 102 2HB ALA 102 93.115 1.022 2.814 711 3HB ALA 102 3HB ALA 102 94.570 0.801 1.842 712 H ALA 103 H ALA 103 93.625 -1.154 5.060 713 HA ALA 103 HA ALA 103 91.845 0.327 6.757 714 1HB ALA 103 1HB ALA 103 92.691 -2.456 6.250 715 2HB ALA 103 2HB ALA 103 92.099 -2.168 7.887 716 3HB ALA 103 3HB ALA 103 91.072 -1.804 6.501 717 H ILE 104 H ILE 104 95.091 -0.995 7.243 718 HA ILE 104 HA ILE 104 95.178 -0.661 10.110 719 HB ILE 104 HB ILE 104 97.334 -0.754 7.974 720 1HG1 ILE 104 1HG1 ILE 104 96.503 -3.015 9.782 721 2HG1 ILE 104 2HG1 ILE 104 95.603 -2.692 8.299 722 1HG2 ILE 104 1HG2 ILE 104 97.400 -0.600 10.934 723 2HG2 ILE 104 2HG2 ILE 104 98.447 -1.822 10.211 724 3HG2 ILE 104 3HG2 ILE 104 98.623 -0.128 9.754 725 1HD1 ILE 104 1HD1 ILE 104 98.608 -2.928 8.263 726 2HD1 ILE 104 2HD1 ILE 104 97.585 -4.362 8.172 727 3HD1 ILE 104 3HD1 ILE 104 97.474 -3.119 6.927 728 H CYS 105 H CYS 105 96.045 1.435 7.366 729 HA CYS 105 HA CYS 105 97.348 3.490 8.891 730 1HB CYS 105 1HB CYS 105 97.210 2.961 6.333 731 2HB CYS 105 2HB CYS 105 95.746 3.942 6.382 732 H PHE 106 H PHE 106 93.950 3.013 7.908 733 HA PHE 106 HA PHE 106 92.882 5.473 8.787 734 1HB PHE 106 1HB PHE 106 91.690 2.683 8.835 735 2HB PHE 106 2HB PHE 106 90.770 4.186 8.859 736 HD1 PHE 106 HD1 PHE 106 92.946 5.524 6.910 737 HD2 PHE 106 HD2 PHE 106 90.491 2.004 6.771 738 HE1 PHE 106 HE1 PHE 106 92.980 5.596 4.430 739 HE2 PHE 106 HE2 PHE 106 90.528 2.075 4.295 740 HZ PHE 106 HZ PHE 106 91.774 3.870 3.123 741 H SER 107 H SER 107 93.332 2.397 10.523 742 HA SER 107 HA SER 107 92.287 3.418 13.047 743 1HB SER 107 1HB SER 107 92.916 1.218 13.835 744 2HB SER 107 2HB SER 107 92.287 1.033 12.200 745 HG SER 107 HG SER 107 94.572 1.240 11.548 746 H LYS 108 H LYS 108 95.210 3.872 11.403 747 HA LYS 108 HA LYS 108 96.762 4.248 13.933 748 1HB LYS 108 1HB LYS 108 97.385 3.748 11.034 749 2HB LYS 108 2HB LYS 108 98.611 4.485 12.067 750 1HG LYS 108 1HG LYS 108 97.325 2.201 13.350 751 2HG LYS 108 2HG LYS 108 98.104 1.758 11.831 752 1HD LYS 108 1HD LYS 108 100.072 3.257 12.789 753 2HD LYS 108 2HD LYS 108 99.322 2.859 14.336 754 1HE LYS 108 1HE LYS 108 99.713 0.590 12.439 755 2HE LYS 108 2HE LYS 108 101.170 1.255 13.201 756 1HZ LYS 108 1HZ LYS 108 99.215 1.192 15.165 757 2HZ LYS 108 2HZ LYS 108 99.119 -0.309 14.377 758 3HZ LYS 108 3HZ LYS 108 100.589 0.203 15.056 759 H VAL 109 H VAL 109 94.847 6.019 11.869 760 HA VAL 109 HA VAL 109 96.331 8.538 12.522 761 HB VAL 109 HB VAL 109 95.771 9.309 10.226 762 1HG1 VAL 109 1HG1 VAL 109 97.327 6.749 10.589 763 2HG1 VAL 109 2HG1 VAL 109 97.223 7.539 9.015 764 3HG1 VAL 109 3HG1 VAL 109 97.943 8.389 10.382 765 1HG2 VAL 109 1HG2 VAL 109 94.208 6.825 10.303 766 2HG2 VAL 109 2HG2 VAL 109 94.013 8.240 9.270 767 3HG2 VAL 109 3HG2 VAL 109 95.178 6.988 8.839 768 HA PRO 110 HA PRO 110 92.401 10.035 13.784 769 1HB PRO 110 1HB PRO 110 92.595 12.685 13.131 770 2HB PRO 110 2HB PRO 110 93.486 11.957 14.483 771 1HG PRO 110 1HG PRO 110 94.431 12.647 11.747 772 2HG PRO 110 2HG PRO 110 95.266 12.797 13.301 773 1HD PRO 110 1HD PRO 110 95.730 10.780 11.522 774 2HD PRO 110 2HD PRO 110 95.976 10.623 13.275 775 H TYR 111 H TYR 111 90.393 11.158 12.919 776 HA TYR 111 HA TYR 111 90.238 11.057 9.926 777 1HB TYR 111 1HB TYR 111 89.308 9.003 10.676 778 2HB TYR 111 2HB TYR 111 88.526 9.770 12.058 779 HD1 TYR 111 HD1 TYR 111 88.622 10.456 8.366 780 HD2 TYR 111 HD2 TYR 111 86.206 9.789 11.855 781 HE1 TYR 111 HE1 TYR 111 86.573 10.801 7.013 782 HE2 TYR 111 HE2 TYR 111 84.157 10.135 10.501 783 HH TYR 111 HH TYR 111 84.264 11.395 7.298 784 H ASN 112 H ASN 112 89.525 13.019 9.199 785 HA ASN 112 HA ASN 112 88.109 14.847 11.063 786 1HB ASN 112 1HB ASN 112 89.475 15.067 8.377 787 2HB ASN 112 2HB ASN 112 88.515 16.395 9.030 788 1HD2 ASN 112 2HD2 ASN 112 91.648 15.151 8.962 789 2HD2 ASN 112 1HD2 ASN 112 92.258 15.913 10.351 790 H LYS 113 H LYS 113 85.933 14.270 11.105 791 HA LYS 113 HA LYS 113 84.372 13.136 9.061 792 1HB LYS 113 1HB LYS 113 84.068 14.384 11.618 793 2HB LYS 113 2HB LYS 113 82.827 15.035 10.547 794 1HG LYS 113 1HG LYS 113 81.951 12.876 10.077 795 2HG LYS 113 2HG LYS 113 83.373 12.070 10.738 796 1HD LYS 113 1HD LYS 113 82.116 11.861 12.621 797 2HD LYS 113 2HD LYS 113 82.544 13.551 12.889 798 1HE LYS 113 1HE LYS 113 80.279 13.287 11.056 799 2HE LYS 113 2HE LYS 113 79.948 12.571 12.648 800 1HZ LYS 113 1HZ LYS 113 81.180 14.702 13.470 801 2HZ LYS 113 2HZ LYS 113 80.689 15.333 11.971 802 3HZ LYS 113 3HZ LYS 113 79.530 14.771 13.079 803 H GLU 114 H GLU 114 85.270 16.521 9.574 804 HA GLU 114 HA GLU 114 83.467 17.705 7.721 805 1HB GLU 114 1HB GLU 114 85.025 18.675 9.575 806 2HB GLU 114 2HB GLU 114 86.243 18.712 8.299 807 1HG GLU 114 1HG GLU 114 85.253 20.838 8.140 808 2HG GLU 114 2HG GLU 114 84.409 19.913 6.897 809 H HIS 115 H HIS 115 86.625 16.181 7.319 810 HA HIS 115 HA HIS 115 87.054 17.096 4.595 811 1HB HIS 115 1HB HIS 115 88.231 15.167 6.548 812 2HB HIS 115 2HB HIS 115 88.645 14.950 4.849 813 HD1 HIS 115 HD1 HIS 115 88.914 17.777 3.846 814 HD2 HIS 115 HD2 HIS 115 90.360 16.603 7.576 815 HE1 HIS 115 HE1 HIS 115 90.700 19.456 4.484 816 H LYS 116 H LYS 116 84.809 14.951 5.867 817 HA LYS 116 HA LYS 116 84.910 12.833 3.900 818 1HB LYS 116 1HB LYS 116 83.854 13.207 6.345 819 2HB LYS 116 2HB LYS 116 82.434 13.582 5.372 820 1HG LYS 116 1HG LYS 116 82.914 11.406 4.110 821 2HG LYS 116 2HG LYS 116 84.040 11.028 5.413 822 1HD LYS 116 1HD LYS 116 82.253 10.159 6.494 823 2HD LYS 116 2HD LYS 116 81.770 11.833 6.777 824 1HE LYS 116 1HE LYS 116 81.030 10.513 4.174 825 2HE LYS 116 2HE LYS 116 80.057 10.207 5.626 826 1HZ LYS 116 1HZ LYS 116 80.144 12.706 5.958 827 2HZ LYS 116 2HZ LYS 116 80.669 12.805 4.345 828 3HZ LYS 116 3HZ LYS 116 79.147 12.143 4.706 829 H ASN 117 H ASN 117 83.761 12.697 1.961 830 HA ASN 117 HA ASN 117 82.656 13.525 0.039 831 1HB ASN 117 1HB ASN 117 81.031 14.154 2.470 832 2HB ASN 117 2HB ASN 117 80.499 14.837 0.932 833 1HD2 ASN 117 2HD2 ASN 117 81.768 11.649 2.080 834 2HD2 ASN 117 1HD2 ASN 117 80.626 10.728 1.225 835 H LEU 118 H LEU 118 84.832 15.105 0.422 836 HA LEU 118 HA LEU 118 84.173 17.876 0.820 837 1HB LEU 118 1HB LEU 118 86.301 17.217 1.506 838 2HB LEU 118 2HB LEU 118 86.484 16.118 0.156 839 HG LEU 118 HG LEU 118 86.580 18.143 -1.331 840 1HD1 LEU 118 1HD1 LEU 118 85.801 19.513 0.894 841 2HD1 LEU 118 2HD1 LEU 118 87.549 19.730 0.982 842 3HD1 LEU 118 3HD1 LEU 118 86.665 20.265 -0.447 843 1HD2 LEU 118 1HD2 LEU 118 88.524 16.726 -0.094 844 2HD2 LEU 118 2HD2 LEU 118 88.862 18.033 -1.229 845 3HD2 LEU 118 3HD2 LEU 118 88.894 18.342 0.507 846 H ASP 119 H ASP 119 84.902 19.403 -1.032 847 HA ASP 119 HA ASP 119 83.451 18.652 -3.486 848 1HB ASP 119 1HB ASP 119 83.363 20.864 -2.158 849 2HB ASP 119 2HB ASP 119 84.925 21.221 -2.898 850 H LYS 120 H LYS 120 84.496 17.816 -5.240 851 HA LYS 120 HA LYS 120 87.161 17.151 -5.495 852 1HB LYS 120 1HB LYS 120 85.072 18.047 -7.485 853 2HB LYS 120 2HB LYS 120 86.657 17.486 -8.018 854 1HG LYS 120 1HG LYS 120 86.325 15.326 -7.054 855 2HG LYS 120 2HG LYS 120 84.904 15.869 -6.158 856 1HD LYS 120 1HD LYS 120 83.652 16.168 -8.215 857 2HD LYS 120 2HD LYS 120 85.083 15.810 -9.184 858 1HE LYS 120 1HE LYS 120 85.037 13.564 -7.703 859 2HE LYS 120 2HE LYS 120 83.303 13.943 -7.684 860 1HZ LYS 120 1HZ LYS 120 84.717 14.288 -10.214 861 2HZ LYS 120 2HZ LYS 120 84.437 12.689 -9.712 862 3HZ LYS 120 3HZ LYS 120 83.131 13.750 -9.923 863 H LYS 121 H LYS 121 85.718 20.322 -5.822 864 HA LYS 121 HA LYS 121 87.826 21.657 -7.227 865 1HB LYS 121 1HB LYS 121 85.488 22.296 -5.523 866 2HB LYS 121 2HB LYS 121 86.719 23.553 -5.627 867 1HG LYS 121 1HG LYS 121 86.530 23.692 -7.990 868 2HG LYS 121 2HG LYS 121 85.631 22.178 -8.082 869 1HD LYS 121 1HD LYS 121 84.023 23.600 -6.413 870 2HD LYS 121 2HD LYS 121 84.678 24.899 -7.412 871 1HE LYS 121 1HE LYS 121 84.040 23.543 -9.454 872 2HE LYS 121 2HE LYS 121 83.183 22.434 -8.362 873 1HZ LYS 121 1HZ LYS 121 82.233 24.643 -7.410 874 2HZ LYS 121 2HZ LYS 121 82.632 25.266 -8.936 875 3HZ LYS 121 3HZ LYS 121 81.546 23.964 -8.808 876 H ASN 122 H ASN 122 87.647 20.394 -4.083 877 HA ASN 122 HA ASN 122 89.830 22.129 -3.029 878 1HB ASN 122 1HB ASN 122 87.753 20.244 -1.997 879 2HB ASN 122 2HB ASN 122 89.238 20.402 -1.068 880 1HD2 ASN 122 2HD2 ASN 122 86.479 22.256 -2.368 881 2HD2 ASN 122 1HD2 ASN 122 86.639 23.567 -1.301 882 H CYS 123 H CYS 123 89.285 19.300 -4.707 883 HA CYS 123 HA CYS 123 91.703 17.891 -3.697 884 1HB CYS 123 1HB CYS 123 89.135 17.263 -5.063 885 2HB CYS 123 2HB CYS 123 90.501 16.234 -5.448 Start of MODEL 5 1 1H ALA 1 1H ALA 1 85.485 -7.442 -7.305 2 2H ALA 1 2H ALA 1 84.772 -8.975 -7.466 3 3H ALA 1 3H ALA 1 83.796 -7.594 -7.304 4 HA ALA 1 HA ALA 1 83.751 -8.569 -5.181 5 1HB ALA 1 1HB ALA 1 86.058 -9.735 -6.185 6 2HB ALA 1 2HB ALA 1 86.661 -8.758 -4.846 7 3HB ALA 1 3HB ALA 1 85.420 -9.979 -4.558 8 H LEU 2 H LEU 2 83.310 -6.813 -3.907 9 HA LEU 2 HA LEU 2 85.479 -4.779 -3.517 10 1HB LEU 2 1HB LEU 2 82.594 -4.524 -4.308 11 2HB LEU 2 2HB LEU 2 83.339 -3.224 -3.375 12 HG LEU 2 HG LEU 2 85.275 -3.556 -5.197 13 1HD1 LEU 2 1HD1 LEU 2 82.819 -4.813 -6.326 14 2HD1 LEU 2 2HD1 LEU 2 83.753 -3.773 -7.401 15 3HD1 LEU 2 3HD1 LEU 2 84.515 -5.174 -6.648 16 1HD2 LEU 2 1HD2 LEU 2 83.009 -1.798 -4.841 17 2HD2 LEU 2 2HD2 LEU 2 84.614 -1.418 -5.464 18 3HD2 LEU 2 3HD2 LEU 2 83.355 -1.987 -6.561 19 H TRP 3 H TRP 3 82.419 -6.118 -2.227 20 HA TRP 3 HA TRP 3 82.373 -4.940 0.310 21 1HB TRP 3 1HB TRP 3 80.999 -6.816 0.907 22 2HB TRP 3 2HB TRP 3 80.752 -6.564 -0.819 23 HD1 TRP 3 HD1 TRP 3 83.093 -7.959 -2.142 24 HE1 TRP 3 HE1 TRP 3 83.474 -10.502 -1.939 25 HE3 TRP 3 HE3 TRP 3 80.421 -8.921 2.105 26 HZ2 TRP 3 HZ2 TRP 3 82.744 -12.656 -0.210 27 HZ3 TRP 3 HZ3 TRP 3 80.280 -11.227 3.005 28 HH2 TRP 3 HH2 TRP 3 81.437 -13.092 1.852 29 H GLN 4 H GLN 4 84.605 -7.327 -0.936 30 HA GLN 4 HA GLN 4 85.563 -8.431 1.525 31 1HB GLN 4 1HB GLN 4 86.641 -8.011 -1.259 32 2HB GLN 4 2HB GLN 4 87.665 -8.717 -0.009 33 1HG GLN 4 1HG GLN 4 84.925 -9.844 -0.269 34 2HG GLN 4 2HG GLN 4 86.055 -10.211 -1.573 35 1HE2 GLN 4 2HE2 GLN 4 85.364 -10.751 1.841 36 2HE2 GLN 4 1HE2 GLN 4 86.590 -11.897 2.097 37 H PHE 5 H PHE 5 86.437 -5.499 -0.281 38 HA PHE 5 HA PHE 5 88.737 -4.763 1.261 39 1HB PHE 5 1HB PHE 5 88.147 -3.827 -0.934 40 2HB PHE 5 2HB PHE 5 86.678 -3.125 -0.255 41 HD1 PHE 5 HD1 PHE 5 90.313 -3.261 0.697 42 HD2 PHE 5 HD2 PHE 5 86.807 -0.844 0.145 43 HE1 PHE 5 HE1 PHE 5 91.590 -1.253 1.389 44 HE2 PHE 5 HE2 PHE 5 88.084 1.167 0.837 45 HZ PHE 5 HZ PHE 5 90.475 0.961 1.459 46 H ASN 6 H ASN 6 85.303 -3.774 1.531 47 HA ASN 6 HA ASN 6 85.532 -2.050 3.760 48 1HB ASN 6 1HB ASN 6 83.483 -3.663 2.381 49 2HB ASN 6 2HB ASN 6 83.105 -3.319 4.069 50 1HD2 ASN 6 2HD2 ASN 6 83.150 -1.971 0.895 51 2HD2 ASN 6 1HD2 ASN 6 82.805 -0.367 1.332 52 H GLY 7 H GLY 7 85.658 -5.549 3.573 53 1HA GLY 7 1HA GLY 7 85.156 -6.056 6.380 54 2HA GLY 7 2HA GLY 7 85.895 -7.189 5.246 55 H MET 8 H MET 8 88.087 -5.559 4.425 56 HA MET 8 HA MET 8 90.038 -6.149 6.402 57 1HB MET 8 1HB MET 8 89.949 -4.140 4.129 58 2HB MET 8 2HB MET 8 91.422 -4.564 5.001 59 1HG MET 8 1HG MET 8 90.083 -6.981 4.223 60 2HG MET 8 2HG MET 8 90.243 -5.939 2.809 61 1HE MET 8 1HE MET 8 91.198 -8.509 2.924 62 2HE MET 8 2HE MET 8 92.942 -8.673 2.683 63 3HE MET 8 3HE MET 8 92.248 -8.887 4.287 64 H ILE 9 H ILE 9 88.431 -3.048 5.626 65 HA ILE 9 HA ILE 9 89.730 -1.456 7.604 66 HB ILE 9 HB ILE 9 86.973 -1.325 6.343 67 1HG1 ILE 9 1HG1 ILE 9 89.515 0.172 5.647 68 2HG1 ILE 9 2HG1 ILE 9 89.004 -1.305 4.830 69 1HG2 ILE 9 1HG2 ILE 9 88.534 0.623 8.039 70 2HG2 ILE 9 2HG2 ILE 9 87.330 1.185 6.879 71 3HG2 ILE 9 3HG2 ILE 9 86.850 0.126 8.205 72 1HD1 ILE 9 1HD1 ILE 9 86.872 -0.211 4.207 73 2HD1 ILE 9 2HD1 ILE 9 87.413 1.271 4.992 74 3HD1 ILE 9 3HD1 ILE 9 88.261 0.668 3.568 75 H LYS 10 H LYS 10 86.587 -3.177 7.725 76 HA LYS 10 HA LYS 10 85.892 -2.498 10.394 77 1HB LYS 10 1HB LYS 10 85.298 -4.722 8.463 78 2HB LYS 10 2HB LYS 10 84.709 -4.854 10.121 79 1HG LYS 10 1HG LYS 10 83.864 -2.400 9.729 80 2HG LYS 10 2HG LYS 10 84.002 -2.823 8.022 81 1HD LYS 10 1HD LYS 10 82.369 -4.287 10.117 82 2HD LYS 10 2HD LYS 10 81.741 -3.327 8.777 83 1HE LYS 10 1HE LYS 10 83.514 -5.188 7.601 84 2HE LYS 10 2HE LYS 10 82.541 -6.106 8.769 85 1HZ LYS 10 1HZ LYS 10 80.550 -5.044 7.882 86 2HZ LYS 10 2HZ LYS 10 81.487 -4.209 6.736 87 3HZ LYS 10 3HZ LYS 10 81.366 -5.902 6.667 88 H CYS 11 H CYS 11 88.067 -4.977 9.123 89 HA CYS 11 HA CYS 11 88.367 -6.588 11.422 90 1HB CYS 11 1HB CYS 11 89.210 -6.856 9.007 91 2HB CYS 11 2HB CYS 11 90.556 -5.824 9.487 92 H LYS 12 H LYS 12 90.070 -3.636 10.414 93 HA LYS 12 HA LYS 12 91.635 -3.585 12.930 94 1HB LYS 12 1HB LYS 12 91.513 -1.903 10.412 95 2HB LYS 12 2HB LYS 12 92.586 -1.529 11.762 96 1HG LYS 12 1HG LYS 12 92.590 -4.306 10.628 97 2HG LYS 12 2HG LYS 12 93.451 -3.029 9.770 98 1HD LYS 12 1HD LYS 12 94.943 -2.665 11.534 99 2HD LYS 12 2HD LYS 12 93.857 -3.380 12.727 100 1HE LYS 12 1HE LYS 12 94.220 -5.618 11.703 101 2HE LYS 12 2HE LYS 12 95.362 -4.886 10.556 102 1HZ LYS 12 1HZ LYS 12 96.235 -3.868 12.854 103 2HZ LYS 12 2HZ LYS 12 95.657 -5.363 13.411 104 3HZ LYS 12 3HZ LYS 12 96.839 -5.310 12.191 105 H ILE 13 H ILE 13 89.033 -1.766 11.323 106 HA ILE 13 HA ILE 13 88.725 -0.132 13.819 107 HB ILE 13 HB ILE 13 88.136 0.342 10.889 108 1HG1 ILE 13 1HG1 ILE 13 89.411 2.497 12.301 109 2HG1 ILE 13 2HG1 ILE 13 90.265 0.996 12.667 110 1HG2 ILE 13 1HG2 ILE 13 86.885 1.535 13.304 111 2HG2 ILE 13 2HG2 ILE 13 87.420 2.675 12.069 112 3HG2 ILE 13 3HG2 ILE 13 86.262 1.410 11.659 113 1HD1 ILE 13 1HD1 ILE 13 89.518 1.295 9.832 114 2HD1 ILE 13 2HD1 ILE 13 90.669 2.501 10.406 115 3HD1 ILE 13 3HD1 ILE 13 91.048 0.784 10.546 116 HA PRO 14 HA PRO 14 85.044 -2.907 13.517 117 1HB PRO 14 1HB PRO 14 85.093 -3.713 16.126 118 2HB PRO 14 2HB PRO 14 86.026 -4.521 14.851 119 1HG PRO 14 1HG PRO 14 86.928 -2.605 16.930 120 2HG PRO 14 2HG PRO 14 87.771 -3.993 16.226 121 1HD PRO 14 1HD PRO 14 88.233 -1.359 15.544 122 2HD PRO 14 2HD PRO 14 88.626 -2.756 14.518 123 H SER 15 H SER 15 86.033 -0.316 15.637 124 HA SER 15 HA SER 15 83.399 0.072 16.863 125 1HB SER 15 1HB SER 15 84.565 2.100 17.765 126 2HB SER 15 2HB SER 15 85.469 0.612 18.034 127 HG SER 15 HG SER 15 86.685 2.435 17.151 128 H SER 16 H SER 16 84.487 0.620 13.773 129 HA SER 16 HA SER 16 82.479 2.794 13.375 130 1HB SER 16 1HB SER 16 85.381 2.953 13.217 131 2HB SER 16 2HB SER 16 84.635 3.391 11.683 132 HG SER 16 HG SER 16 83.333 4.869 12.829 133 H GLU 17 H GLU 17 81.654 2.860 11.188 134 HA GLU 17 HA GLU 17 81.992 0.281 9.734 135 1HB GLU 17 1HB GLU 17 79.952 2.525 9.664 136 2HB GLU 17 2HB GLU 17 79.884 1.115 8.608 137 1HG GLU 17 1HG GLU 17 78.910 -0.085 10.240 138 2HG GLU 17 2HG GLU 17 80.293 0.210 11.294 139 HA PRO 18 HA PRO 18 84.439 2.472 6.747 140 1HB PRO 18 1HB PRO 18 84.584 0.452 4.907 141 2HB PRO 18 2HB PRO 18 85.541 0.469 6.402 142 1HG PRO 18 1HG PRO 18 83.047 -1.024 5.766 143 2HG PRO 18 2HG PRO 18 84.460 -1.533 6.704 144 1HD PRO 18 1HD PRO 18 82.107 -0.714 7.828 145 2HD PRO 18 2HD PRO 18 83.688 -0.576 8.630 146 H LEU 19 H LEU 19 81.198 1.664 6.500 147 HA LEU 19 HA LEU 19 80.998 2.724 3.702 148 1HB LEU 19 1HB LEU 19 79.371 0.829 5.390 149 2HB LEU 19 2HB LEU 19 78.656 1.609 3.978 150 HG LEU 19 HG LEU 19 81.302 0.529 3.396 151 1HD1 LEU 19 1HD1 LEU 19 79.234 -1.216 4.687 152 2HD1 LEU 19 2HD1 LEU 19 80.201 -1.878 3.368 153 3HD1 LEU 19 3HD1 LEU 19 80.991 -1.275 4.826 154 1HD2 LEU 19 1HD2 LEU 19 78.519 0.470 2.284 155 2HD2 LEU 19 2HD2 LEU 19 80.015 1.010 1.522 156 3HD2 LEU 19 3HD2 LEU 19 79.686 -0.714 1.696 157 H LEU 20 H LEU 20 80.314 3.384 7.012 158 HA LEU 20 HA LEU 20 78.431 5.583 6.215 159 1HB LEU 20 1HB LEU 20 78.768 4.134 8.863 160 2HB LEU 20 2HB LEU 20 77.516 5.317 8.477 161 HG LEU 20 HG LEU 20 77.740 3.056 6.581 162 1HD1 LEU 20 1HD1 LEU 20 76.913 2.701 9.468 163 2HD1 LEU 20 2HD1 LEU 20 76.348 1.630 8.187 164 3HD1 LEU 20 3HD1 LEU 20 78.071 1.742 8.546 165 1HD2 LEU 20 1HD2 LEU 20 75.607 4.710 7.908 166 2HD2 LEU 20 2HD2 LEU 20 75.917 4.470 6.189 167 3HD2 LEU 20 3HD2 LEU 20 75.174 3.183 7.139 168 H ASP 21 H ASP 21 81.553 5.309 6.603 169 HA ASP 21 HA ASP 21 81.822 7.910 8.031 170 1HB ASP 21 1HB ASP 21 82.374 5.370 9.151 171 2HB ASP 21 2HB ASP 21 83.942 6.084 8.774 172 H PHE 22 H PHE 22 83.603 5.295 6.356 173 HA PHE 22 HA PHE 22 85.474 7.298 5.201 174 1HB PHE 22 1HB PHE 22 85.360 4.264 5.122 175 2HB PHE 22 2HB PHE 22 86.697 5.247 4.528 176 HD1 PHE 22 HD1 PHE 22 86.374 7.377 6.813 177 HD2 PHE 22 HD2 PHE 22 86.728 3.095 6.779 178 HE1 PHE 22 HE1 PHE 22 87.345 7.440 9.091 179 HE2 PHE 22 HE2 PHE 22 87.702 3.159 9.059 180 HZ PHE 22 HZ PHE 22 88.010 5.332 10.215 181 H ASN 23 H ASN 23 83.240 7.950 4.005 182 HA ASN 23 HA ASN 23 83.253 6.495 1.381 183 1HB ASN 23 1HB ASN 23 81.274 5.944 2.739 184 2HB ASN 23 2HB ASN 23 80.921 7.662 2.938 185 1HD2 ASN 23 2HD2 ASN 23 78.832 7.346 1.808 186 2HD2 ASN 23 1HD2 ASN 23 78.789 7.163 0.121 187 H ASN 24 H ASN 24 83.579 7.854 -0.346 188 HA ASN 24 HA ASN 24 84.065 9.885 -1.472 189 1HB ASN 24 1HB ASN 24 81.475 9.531 -1.102 190 2HB ASN 24 2HB ASN 24 81.642 10.924 -0.035 191 1HD2 ASN 24 2HD2 ASN 24 82.779 12.893 -1.088 192 2HD2 ASN 24 1HD2 ASN 24 82.472 13.176 -2.735 193 H TYR 25 H TYR 25 85.986 10.401 -0.127 194 HA TYR 25 HA TYR 25 85.547 12.863 1.490 195 1HB TYR 25 1HB TYR 25 85.467 11.017 3.075 196 2HB TYR 25 2HB TYR 25 86.933 10.317 2.389 197 HD1 TYR 25 HD1 TYR 25 89.073 11.781 2.428 198 HD2 TYR 25 HD2 TYR 25 85.608 12.558 4.843 199 HE1 TYR 25 HE1 TYR 25 90.451 13.161 3.962 200 HE2 TYR 25 HE2 TYR 25 86.984 13.938 6.375 201 HH TYR 25 HH TYR 25 90.275 13.852 6.468 202 H GLY 26 H GLY 26 87.515 14.150 1.655 203 1HA GLY 26 1HA GLY 26 89.416 15.095 0.628 204 2HA GLY 26 2HA GLY 26 90.094 13.484 0.863 205 H CYS 27 H CYS 27 91.211 14.174 -1.220 206 HA CYS 27 HA CYS 27 89.584 14.143 -3.667 207 1HB CYS 27 1HB CYS 27 92.587 14.003 -3.282 208 2HB CYS 27 2HB CYS 27 91.727 14.550 -4.721 209 H TYR 28 H TYR 28 91.526 11.864 -1.806 210 HA TYR 28 HA TYR 28 91.473 9.868 -3.993 211 1HB TYR 28 1HB TYR 28 92.629 9.920 -1.189 212 2HB TYR 28 2HB TYR 28 92.876 8.608 -2.345 213 HD1 TYR 28 HD1 TYR 28 94.065 9.044 -4.500 214 HD2 TYR 28 HD2 TYR 28 93.812 11.998 -1.392 215 HE1 TYR 28 HE1 TYR 28 95.914 10.314 -5.558 216 HE2 TYR 28 HE2 TYR 28 95.663 13.268 -2.449 217 HH TYR 28 HH TYR 28 97.223 12.094 -5.439 218 H CYS 29 H CYS 29 90.628 9.744 -0.493 219 HA CYS 29 HA CYS 29 89.159 7.384 -0.480 220 1HB CYS 29 1HB CYS 29 88.473 9.972 0.947 221 2HB CYS 29 2HB CYS 29 88.023 8.349 1.467 222 H GLY 30 H GLY 30 87.919 7.096 -2.422 223 1HA GLY 30 1HA GLY 30 85.220 7.865 -2.391 224 2HA GLY 30 2HA GLY 30 86.047 9.062 -3.389 225 H LEU 31 H LEU 31 84.381 7.856 -4.910 226 HA LEU 31 HA LEU 31 85.049 5.234 -5.903 227 1HB LEU 31 1HB LEU 31 82.880 6.563 -6.091 228 2HB LEU 31 2HB LEU 31 83.670 7.508 -7.355 229 HG LEU 31 HG LEU 31 84.224 4.947 -8.162 230 1HD1 LEU 31 1HD1 LEU 31 82.405 4.500 -6.191 231 2HD1 LEU 31 2HD1 LEU 31 81.329 4.709 -7.572 232 3HD1 LEU 31 3HD1 LEU 31 82.578 3.463 -7.608 233 1HD2 LEU 31 1HD2 LEU 31 82.273 7.063 -8.856 234 2HD2 LEU 31 2HD2 LEU 31 83.436 6.225 -9.884 235 3HD2 LEU 31 3HD2 LEU 31 81.896 5.462 -9.491 236 H GLY 32 H GLY 32 85.969 8.528 -6.910 237 1HA GLY 32 1HA GLY 32 88.446 7.666 -8.059 238 2HA GLY 32 2HA GLY 32 87.256 7.880 -9.344 239 H GLY 33 H GLY 33 89.353 9.498 -7.132 240 1HA GLY 33 1HA GLY 33 88.438 12.109 -8.267 241 2HA GLY 33 2HA GLY 33 88.863 11.957 -6.561 242 H SER 34 H SER 34 90.556 13.562 -6.909 243 HA SER 34 HA SER 34 93.154 12.480 -7.290 244 1HB SER 34 1HB SER 34 93.135 12.248 -9.548 245 2HB SER 34 2HB SER 34 91.639 13.164 -9.698 246 HG SER 34 HG SER 34 94.072 13.943 -10.306 247 H GLY 35 H GLY 35 94.807 14.149 -7.096 248 1HA GLY 35 1HA GLY 35 95.230 16.651 -7.184 249 2HA GLY 35 2HA GLY 35 93.687 16.820 -6.342 250 H THR 36 H THR 36 95.500 17.999 -4.927 251 HA THR 36 HA THR 36 97.196 16.350 -3.268 252 HB THR 36 HB THR 36 96.057 19.151 -3.093 253 HG1 THR 36 HG1 THR 36 97.902 19.677 -4.003 254 1HG2 THR 36 1HG2 THR 36 97.039 17.659 -0.925 255 2HG2 THR 36 2HG2 THR 36 98.384 18.682 -1.426 256 3HG2 THR 36 3HG2 THR 36 96.837 19.409 -0.997 257 HA PRO 37 HA PRO 37 94.148 14.782 -0.494 258 1HB PRO 37 1HB PRO 37 95.808 14.176 1.602 259 2HB PRO 37 2HB PRO 37 95.725 13.202 0.121 260 1HG PRO 37 1HG PRO 37 97.721 15.268 0.915 261 2HG PRO 37 2HG PRO 37 97.970 13.711 0.108 262 1HD PRO 37 1HD PRO 37 97.968 16.072 -1.225 263 2HD PRO 37 2HD PRO 37 97.431 14.548 -1.964 264 H VAL 38 H VAL 38 93.159 15.370 1.598 265 HA VAL 38 HA VAL 38 93.844 18.170 2.411 266 HB VAL 38 HB VAL 38 91.472 18.249 3.089 267 1HG1 VAL 38 1HG1 VAL 38 92.473 17.981 0.464 268 2HG1 VAL 38 2HG1 VAL 38 90.977 17.047 0.506 269 3HG1 VAL 38 3HG1 VAL 38 90.964 18.754 0.953 270 1HG2 VAL 38 1HG2 VAL 38 91.631 15.617 3.528 271 2HG2 VAL 38 2HG2 VAL 38 90.093 16.389 3.145 272 3HG2 VAL 38 3HG2 VAL 38 90.997 15.552 1.885 273 H ASP 39 H ASP 39 93.785 14.898 3.509 274 HA ASP 39 HA ASP 39 94.680 15.758 6.190 275 1HB ASP 39 1HB ASP 39 92.090 15.641 5.994 276 2HB ASP 39 2HB ASP 39 92.319 13.893 5.950 277 H ASP 40 H ASP 40 95.359 13.798 7.492 278 HA ASP 40 HA ASP 40 97.083 12.073 6.071 279 1HB ASP 40 1HB ASP 40 96.892 10.730 8.265 280 2HB ASP 40 2HB ASP 40 97.364 12.423 8.414 281 H LEU 41 H LEU 41 93.821 11.298 7.402 282 HA LEU 41 HA LEU 41 93.608 8.644 6.554 283 1HB LEU 41 1HB LEU 41 91.972 10.139 7.846 284 2HB LEU 41 2HB LEU 41 91.411 10.709 6.273 285 HG LEU 41 HG LEU 41 90.933 8.360 5.617 286 1HD1 LEU 41 1HD1 LEU 41 91.828 7.831 8.462 287 2HD1 LEU 41 2HD1 LEU 41 90.914 6.668 7.501 288 3HD1 LEU 41 3HD1 LEU 41 92.522 7.171 6.981 289 1HD2 LEU 41 1HD2 LEU 41 89.244 9.877 6.792 290 2HD2 LEU 41 2HD2 LEU 41 88.916 8.148 6.889 291 3HD2 LEU 41 3HD2 LEU 41 89.618 8.992 8.270 292 H ASP 42 H ASP 42 93.105 11.609 4.642 293 HA ASP 42 HA ASP 42 92.218 10.380 2.221 294 1HB ASP 42 1HB ASP 42 92.395 12.869 3.056 295 2HB ASP 42 2HB ASP 42 94.002 12.807 2.332 296 H ARG 43 H ARG 43 95.489 11.154 3.432 297 HA ARG 43 HA ARG 43 97.014 10.404 1.177 298 1HB ARG 43 1HB ARG 43 97.375 10.422 4.159 299 2HB ARG 43 2HB ARG 43 98.641 9.724 3.152 300 1HG ARG 43 1HG ARG 43 97.797 12.189 1.970 301 2HG ARG 43 2HG ARG 43 98.145 12.474 3.676 302 1HD ARG 43 1HD ARG 43 100.137 12.675 2.100 303 2HD ARG 43 2HD ARG 43 100.370 11.556 3.448 304 HE ARG 43 HE ARG 43 99.252 10.024 1.422 305 1HH1 ARG 43 1HH2 ARG 43 101.963 9.423 2.459 306 2HH1 ARG 43 2HH2 ARG 43 102.964 9.682 1.070 307 1HH2 ARG 43 1HH1 ARG 43 100.558 11.479 -0.662 308 2HH2 ARG 43 2HH1 ARG 43 102.169 10.845 -0.696 309 H CYS 44 H CYS 44 95.571 8.440 3.748 310 HA CYS 44 HA CYS 44 96.769 5.957 3.163 311 1HB CYS 44 1HB CYS 44 93.938 6.579 4.066 312 2HB CYS 44 2HB CYS 44 94.794 5.062 4.336 313 H CYS 45 H CYS 45 93.854 7.506 1.841 314 HA CYS 45 HA CYS 45 93.089 5.368 0.076 315 1HB CYS 45 1HB CYS 45 92.649 8.370 0.099 316 2HB CYS 45 2HB CYS 45 91.836 7.289 -1.032 317 H GLN 46 H GLN 46 94.931 8.388 -0.496 318 HA GLN 46 HA GLN 46 95.548 7.995 -3.234 319 1HB GLN 46 1HB GLN 46 96.015 10.082 -2.170 320 2HB GLN 46 2HB GLN 46 96.958 9.306 -0.898 321 1HG GLN 46 1HG GLN 46 98.738 8.779 -2.427 322 2HG GLN 46 2HG GLN 46 97.761 9.253 -3.816 323 1HE2 GLN 46 2HE2 GLN 46 99.933 10.646 -3.966 324 2HE2 GLN 46 1HE2 GLN 46 99.832 12.187 -3.273 325 H THR 47 H THR 47 97.131 6.780 -0.303 326 HA THR 47 HA THR 47 99.342 5.524 -1.638 327 HB THR 47 HB THR 47 98.009 5.213 1.061 328 HG1 THR 47 HG1 THR 47 99.068 7.012 1.268 329 1HG2 THR 47 1HG2 THR 47 99.236 3.140 0.342 330 2HG2 THR 47 2HG2 THR 47 100.697 4.118 0.201 331 3HG2 THR 47 3HG2 THR 47 99.921 3.915 1.771 332 H HIS 48 H HIS 48 96.081 4.511 -0.731 333 HA HIS 48 HA HIS 48 96.385 1.687 -1.119 334 1HB HIS 48 1HB HIS 48 94.472 2.744 0.005 335 2HB HIS 48 2HB HIS 48 94.028 3.571 -1.487 336 HD1 HIS 48 HD1 HIS 48 91.890 2.422 -2.154 337 HD2 HIS 48 HD2 HIS 48 94.883 -0.303 -1.158 338 HE1 HIS 48 HE1 HIS 48 90.991 0.127 -2.731 339 H ASP 49 H ASP 49 95.063 4.191 -3.292 340 HA ASP 49 HA ASP 49 94.774 2.610 -5.604 341 1HB ASP 49 1HB ASP 49 95.204 5.501 -4.955 342 2HB ASP 49 2HB ASP 49 95.313 5.011 -6.646 343 H ASN 50 H ASN 50 97.573 4.390 -4.357 344 HA ASN 50 HA ASN 50 99.369 4.013 -6.506 345 1HB ASN 50 1HB ASN 50 99.640 4.298 -3.509 346 2HB ASN 50 2HB ASN 50 101.056 4.216 -4.555 347 1HD2 ASN 50 2HD2 ASN 50 100.944 6.580 -3.300 348 2HD2 ASN 50 1HD2 ASN 50 100.326 7.816 -4.286 349 H CYS 51 H CYS 51 98.381 1.871 -3.886 350 HA CYS 51 HA CYS 51 100.441 -0.131 -4.318 351 1HB CYS 51 1HB CYS 51 98.912 0.403 -2.274 352 2HB CYS 51 2HB CYS 51 97.711 -0.581 -3.110 353 H TYR 52 H TYR 52 97.077 0.304 -5.415 354 HA TYR 52 HA TYR 52 96.787 -2.224 -6.732 355 1HB TYR 52 1HB TYR 52 95.520 0.480 -6.774 356 2HB TYR 52 2HB TYR 52 95.140 -0.611 -8.107 357 HD1 TYR 52 HD1 TYR 52 95.924 -1.511 -4.575 358 HD2 TYR 52 HD2 TYR 52 92.908 -1.268 -7.625 359 HE1 TYR 52 HE1 TYR 52 94.348 -2.751 -3.117 360 HE2 TYR 52 HE2 TYR 52 91.333 -2.508 -6.167 361 HH TYR 52 HH TYR 52 92.320 -4.173 -3.395 362 H LYS 53 H LYS 53 98.417 0.740 -7.627 363 HA LYS 53 HA LYS 53 98.606 0.166 -10.486 364 1HB LYS 53 1HB LYS 53 100.534 1.863 -8.897 365 2HB LYS 53 2HB LYS 53 99.920 2.134 -10.525 366 1HG LYS 53 1HG LYS 53 97.737 2.080 -8.642 367 2HG LYS 53 2HG LYS 53 98.947 3.245 -8.130 368 1HD LYS 53 1HD LYS 53 98.935 4.190 -10.456 369 2HD LYS 53 2HD LYS 53 97.592 3.112 -10.837 370 1HE LYS 53 1HE LYS 53 96.272 4.149 -8.982 371 2HE LYS 53 2HE LYS 53 97.603 5.295 -8.721 372 1HZ LYS 53 1HZ LYS 53 97.446 5.962 -11.036 373 2HZ LYS 53 2HZ LYS 53 96.169 4.872 -11.292 374 3HZ LYS 53 3HZ LYS 53 95.958 6.203 -10.258 375 H GLN 54 H GLN 54 100.938 0.199 -7.826 376 HA GLN 54 HA GLN 54 103.112 -1.055 -9.089 377 1HB GLN 54 1HB GLN 54 102.044 -0.876 -6.288 378 2HB GLN 54 2HB GLN 54 103.469 -1.866 -6.602 379 1HG GLN 54 1HG GLN 54 104.223 0.323 -7.942 380 2HG GLN 54 2HG GLN 54 103.141 1.095 -6.783 381 1HE2 GLN 54 2HE2 GLN 54 103.758 1.086 -4.531 382 2HE2 GLN 54 1HE2 GLN 54 105.293 0.576 -4.016 383 H ALA 55 H ALA 55 100.239 -2.442 -7.577 384 HA ALA 55 HA ALA 55 100.998 -5.193 -7.573 385 1HB ALA 55 1HB ALA 55 99.025 -4.076 -6.457 386 2HB ALA 55 2HB ALA 55 98.257 -3.976 -8.041 387 3HB ALA 55 3HB ALA 55 98.605 -5.551 -7.329 388 H LYS 56 H LYS 56 99.523 -3.153 -10.087 389 HA LYS 56 HA LYS 56 99.059 -5.274 -11.991 390 1HB LYS 56 1HB LYS 56 99.448 -2.272 -12.212 391 2HB LYS 56 2HB LYS 56 98.920 -3.286 -13.555 392 1HG LYS 56 1HG LYS 56 96.955 -4.001 -12.277 393 2HG LYS 56 2HG LYS 56 97.493 -3.055 -10.888 394 1HD LYS 56 1HD LYS 56 96.579 -1.184 -11.740 395 2HD LYS 56 2HD LYS 56 97.457 -1.400 -13.256 396 1HE LYS 56 1HE LYS 56 95.188 -1.517 -13.926 397 2HE LYS 56 2HE LYS 56 95.636 -3.226 -13.752 398 1HZ LYS 56 1HZ LYS 56 94.417 -1.545 -11.625 399 2HZ LYS 56 2HZ LYS 56 93.590 -2.714 -12.540 400 3HZ LYS 56 3HZ LYS 56 94.835 -3.183 -11.481 401 H LYS 57 H LYS 57 101.799 -3.141 -11.300 402 HA LYS 57 HA LYS 57 103.366 -3.655 -13.599 403 1HB LYS 57 1HB LYS 57 103.830 -2.815 -10.756 404 2HB LYS 57 2HB LYS 57 105.222 -3.131 -11.792 405 1HG LYS 57 1HG LYS 57 104.196 -1.563 -13.492 406 2HG LYS 57 2HG LYS 57 102.999 -1.131 -12.270 407 1HD LYS 57 1HD LYS 57 104.447 0.278 -11.285 408 2HD LYS 57 2HD LYS 57 105.638 -1.011 -11.116 409 1HE LYS 57 1HE LYS 57 105.933 -0.531 -13.752 410 2HE LYS 57 2HE LYS 57 105.414 1.083 -13.225 411 1HZ LYS 57 1HZ LYS 57 107.448 -0.459 -11.729 412 2HZ LYS 57 2HZ LYS 57 107.883 0.547 -13.028 413 3HZ LYS 57 3HZ LYS 57 107.124 1.205 -11.659 414 H LEU 58 H LEU 58 102.990 -5.458 -10.570 415 HA LEU 58 HA LEU 58 105.140 -7.220 -10.671 416 1HB LEU 58 1HB LEU 58 102.409 -7.111 -9.594 417 2HB LEU 58 2HB LEU 58 103.011 -8.754 -9.817 418 HG LEU 58 HG LEU 58 105.080 -7.074 -8.696 419 1HD1 LEU 58 1HD1 LEU 58 102.345 -6.957 -7.478 420 2HD1 LEU 58 2HD1 LEU 58 103.743 -7.043 -6.406 421 3HD1 LEU 58 3HD1 LEU 58 103.591 -5.711 -7.550 422 1HD2 LEU 58 1HD2 LEU 58 104.024 -9.716 -8.524 423 2HD2 LEU 58 2HD2 LEU 58 105.538 -9.110 -7.854 424 3HD2 LEU 58 3HD2 LEU 58 104.062 -9.054 -6.890 425 H ASP 59 H ASP 59 105.548 -9.173 -11.773 426 HA ASP 59 HA ASP 59 104.529 -9.523 -14.411 427 1HB ASP 59 1HB ASP 59 106.686 -10.366 -13.395 428 2HB ASP 59 2HB ASP 59 105.743 -11.597 -12.556 429 H SER 60 H SER 60 103.844 -11.413 -11.442 430 HA SER 60 HA SER 60 101.961 -13.215 -12.386 431 1HB SER 60 1HB SER 60 101.621 -11.684 -9.810 432 2HB SER 60 2HB SER 60 101.319 -13.393 -10.110 433 HG SER 60 HG SER 60 103.748 -13.237 -10.705 434 H CYS 61 H CYS 61 101.234 -9.936 -11.124 435 HA CYS 61 HA CYS 61 98.435 -10.018 -11.812 436 1HB CYS 61 1HB CYS 61 100.277 -7.631 -11.468 437 2HB CYS 61 2HB CYS 61 98.533 -7.666 -11.208 438 H LYS 62 H LYS 62 101.342 -9.116 -13.574 439 HA LYS 62 HA LYS 62 100.128 -7.581 -15.662 440 1HB LYS 62 1HB LYS 62 102.535 -7.662 -15.121 441 2HB LYS 62 2HB LYS 62 102.596 -9.346 -15.643 442 1HG LYS 62 1HG LYS 62 101.738 -8.567 -17.899 443 2HG LYS 62 2HG LYS 62 102.005 -6.914 -17.344 444 1HD LYS 62 1HD LYS 62 104.365 -8.350 -16.728 445 2HD LYS 62 2HD LYS 62 103.925 -8.800 -18.376 446 1HE LYS 62 1HE LYS 62 104.655 -6.795 -19.131 447 2HE LYS 62 2HE LYS 62 103.534 -5.959 -18.036 448 1HZ LYS 62 1HZ LYS 62 106.096 -7.164 -17.145 449 2HZ LYS 62 2HZ LYS 62 105.945 -5.530 -17.582 450 3HZ LYS 62 3HZ LYS 62 105.074 -6.137 -16.258 451 H VAL 63 H VAL 63 100.155 -11.024 -15.064 452 HA VAL 63 HA VAL 63 98.470 -11.439 -17.445 453 HB VAL 63 HB VAL 63 100.675 -11.521 -18.421 454 1HG1 VAL 63 1HG1 VAL 63 101.277 -13.159 -15.980 455 2HG1 VAL 63 2HG1 VAL 63 102.225 -13.412 -17.443 456 3HG1 VAL 63 3HG1 VAL 63 102.192 -11.824 -16.679 457 1HG2 VAL 63 1HG2 VAL 63 98.879 -13.489 -18.718 458 2HG2 VAL 63 2HG2 VAL 63 100.447 -13.534 -19.525 459 3HG2 VAL 63 3HG2 VAL 63 100.195 -14.443 -18.034 460 H LEU 64 H LEU 64 100.095 -12.800 -14.594 461 HA LEU 64 HA LEU 64 98.588 -15.306 -14.679 462 1HB LEU 64 1HB LEU 64 100.202 -13.969 -12.482 463 2HB LEU 64 2HB LEU 64 99.713 -15.662 -12.513 464 HG LEU 64 HG LEU 64 101.520 -14.307 -14.537 465 1HD1 LEU 64 1HD1 LEU 64 102.095 -15.278 -11.977 466 2HD1 LEU 64 2HD1 LEU 64 102.578 -16.584 -13.062 467 3HD1 LEU 64 3HD1 LEU 64 103.261 -14.969 -13.264 468 1HD2 LEU 64 1HD2 LEU 64 99.888 -16.611 -14.780 469 2HD2 LEU 64 2HD2 LEU 64 101.169 -16.090 -15.875 470 3HD2 LEU 64 3HD2 LEU 64 101.535 -17.197 -14.551 471 H VAL 65 H VAL 65 97.815 -12.129 -13.725 472 HA VAL 65 HA VAL 65 95.349 -13.047 -12.468 473 HB VAL 65 HB VAL 65 97.488 -11.451 -11.091 474 1HG1 VAL 65 1HG1 VAL 65 94.588 -11.872 -10.461 475 2HG1 VAL 65 2HG1 VAL 65 95.735 -11.757 -9.126 476 3HG1 VAL 65 3HG1 VAL 65 95.572 -10.420 -10.266 477 1HG2 VAL 65 1HG2 VAL 65 96.341 -14.214 -10.709 478 2HG2 VAL 65 2HG2 VAL 65 98.031 -13.739 -10.866 479 3HG2 VAL 65 3HG2 VAL 65 97.149 -13.379 -9.382 480 H ASP 66 H ASP 66 96.307 -11.466 -14.750 481 HA ASP 66 HA ASP 66 96.113 -8.758 -14.821 482 1HB ASP 66 1HB ASP 66 95.482 -10.945 -16.533 483 2HB ASP 66 2HB ASP 66 94.181 -9.765 -16.695 484 H ASN 67 H ASN 67 94.487 -7.151 -14.597 485 HA ASN 67 HA ASN 67 92.481 -6.200 -13.776 486 1HB ASN 67 1HB ASN 67 91.678 -7.788 -15.609 487 2HB ASN 67 2HB ASN 67 91.357 -8.960 -14.330 488 1HD2 ASN 67 2HD2 ASN 67 89.465 -7.331 -16.150 489 2HD2 ASN 67 1HD2 ASN 67 88.385 -6.601 -15.064 490 HA PRO 68 HA PRO 68 93.313 -8.415 -9.795 491 1HB PRO 68 1HB PRO 68 93.960 -6.157 -8.388 492 2HB PRO 68 2HB PRO 68 95.143 -7.085 -9.332 493 1HG PRO 68 1HG PRO 68 93.720 -4.564 -10.032 494 2HG PRO 68 2HG PRO 68 95.396 -5.041 -10.350 495 1HD PRO 68 1HD PRO 68 93.430 -5.131 -12.233 496 2HD PRO 68 2HD PRO 68 94.842 -6.210 -12.241 497 H TYR 69 H TYR 69 91.281 -5.775 -10.801 498 HA TYR 69 HA TYR 69 89.802 -5.378 -8.365 499 1HB TYR 69 1HB TYR 69 89.942 -4.223 -10.827 500 2HB TYR 69 2HB TYR 69 88.427 -5.113 -10.981 501 HD1 TYR 69 HD1 TYR 69 90.203 -2.469 -9.100 502 HD2 TYR 69 HD2 TYR 69 86.480 -4.546 -9.625 503 HE1 TYR 69 HE1 TYR 69 89.051 -0.746 -7.738 504 HE2 TYR 69 HE2 TYR 69 85.327 -2.821 -8.264 505 HH TYR 69 HH TYR 69 87.136 -0.105 -6.825 506 H THR 70 H THR 70 89.067 -7.355 -11.261 507 HA THR 70 HA THR 70 86.741 -8.581 -10.106 508 HB THR 70 HB THR 70 86.998 -10.053 -12.131 509 HG1 THR 70 HG1 THR 70 88.877 -10.150 -13.025 510 1HG2 THR 70 1HG2 THR 70 86.372 -7.356 -11.971 511 2HG2 THR 70 2HG2 THR 70 87.533 -7.425 -13.296 512 3HG2 THR 70 3HG2 THR 70 86.066 -8.403 -13.358 513 H ASN 71 H ASN 71 89.967 -8.976 -9.338 514 HA ASN 71 HA ASN 71 90.466 -11.734 -9.197 515 1HB ASN 71 1HB ASN 71 92.118 -10.075 -8.615 516 2HB ASN 71 2HB ASN 71 91.108 -9.448 -7.312 517 1HD2 ASN 71 2HD2 ASN 71 91.951 -10.105 -5.332 518 2HD2 ASN 71 1HD2 ASN 71 92.607 -11.637 -5.009 519 H ASN 72 H ASN 72 89.983 -13.346 -7.626 520 HA ASN 72 HA ASN 72 87.390 -13.182 -6.362 521 1HB ASN 72 1HB ASN 72 88.756 -15.182 -7.295 522 2HB ASN 72 2HB ASN 72 89.575 -15.169 -5.732 523 1HD2 ASN 72 2HD2 ASN 72 87.963 -15.148 -3.770 524 2HD2 ASN 72 1HD2 ASN 72 86.582 -16.125 -3.924 525 H TYR 73 H TYR 73 90.709 -12.736 -5.221 526 HA TYR 73 HA TYR 73 91.506 -11.857 -3.174 527 1HB TYR 73 1HB TYR 73 89.435 -10.369 -3.832 528 2HB TYR 73 2HB TYR 73 88.649 -11.205 -2.492 529 HD1 TYR 73 HD1 TYR 73 91.674 -11.488 -1.227 530 HD2 TYR 73 HD2 TYR 73 89.075 -8.274 -2.402 531 HE1 TYR 73 HE1 TYR 73 92.809 -9.982 0.382 532 HE2 TYR 73 HE2 TYR 73 90.214 -6.768 -0.793 533 HH TYR 73 HH TYR 73 91.776 -6.589 0.767 534 H SER 74 H SER 74 92.118 -13.276 -1.596 535 HA SER 74 HA SER 74 89.984 -14.860 -0.206 536 1HB SER 74 1HB SER 74 92.745 -15.927 -0.715 537 2HB SER 74 2HB SER 74 91.239 -16.813 -0.498 538 HG SER 74 HG SER 74 92.368 -15.778 -2.760 539 H TYR 75 H TYR 75 89.983 -13.951 1.836 540 HA TYR 75 HA TYR 75 92.444 -14.105 3.432 541 1HB TYR 75 1HB TYR 75 92.792 -11.794 3.685 542 2HB TYR 75 2HB TYR 75 92.338 -11.915 1.987 543 HD1 TYR 75 HD1 TYR 75 91.075 -11.089 5.389 544 HD2 TYR 75 HD2 TYR 75 90.290 -10.941 1.167 545 HE1 TYR 75 HE1 TYR 75 89.149 -9.585 5.799 546 HE2 TYR 75 HE2 TYR 75 88.362 -9.436 1.579 547 HH TYR 75 HH TYR 75 87.326 -8.640 4.875 548 H SER 76 H SER 76 91.915 -13.151 5.723 549 HA SER 76 HA SER 76 89.022 -13.342 6.382 550 1HB SER 76 1HB SER 76 90.690 -15.518 6.528 551 2HB SER 76 2HB SER 76 90.821 -14.864 8.158 552 HG SER 76 HG SER 76 89.059 -16.214 8.125 553 H CYS 77 H CYS 77 88.980 -13.065 9.015 554 HA CYS 77 HA CYS 77 91.008 -10.997 9.764 555 1HB CYS 77 1HB CYS 77 89.083 -9.834 8.885 556 2HB CYS 77 2HB CYS 77 87.990 -10.801 9.864 557 H SER 78 H SER 78 90.941 -10.540 12.093 558 HA SER 78 HA SER 78 89.550 -11.872 14.116 559 1HB SER 78 1HB SER 78 91.321 -13.605 12.567 560 2HB SER 78 2HB SER 78 91.722 -13.631 14.281 561 HG SER 78 HG SER 78 89.746 -14.382 14.745 562 H ASN 79 H ASN 79 90.501 -11.474 16.188 563 HA ASN 79 HA ASN 79 91.836 -10.192 17.666 564 1HB ASN 79 1HB ASN 79 93.451 -11.995 16.005 565 2HB ASN 79 2HB ASN 79 94.387 -10.663 16.683 566 1HD2 ASN 79 2HD2 ASN 79 92.899 -13.695 17.422 567 2HD2 ASN 79 1HD2 ASN 79 93.162 -13.661 19.099 568 H ASN 80 H ASN 80 90.757 -8.528 15.746 569 HA ASN 80 HA ASN 80 91.082 -6.547 14.540 570 1HB ASN 80 1HB ASN 80 93.307 -6.217 16.544 571 2HB ASN 80 2HB ASN 80 92.243 -4.989 15.896 572 1HD2 ASN 80 2HD2 ASN 80 89.793 -6.362 16.179 573 2HD2 ASN 80 1HD2 ASN 80 89.512 -6.546 17.825 574 H GLU 81 H GLU 81 92.413 -8.766 13.427 575 HA GLU 81 HA GLU 81 94.648 -7.395 12.077 576 1HB GLU 81 1HB GLU 81 94.700 -10.051 13.499 577 2HB GLU 81 2HB GLU 81 95.905 -9.620 12.282 578 1HG GLU 81 1HG GLU 81 95.747 -7.370 13.916 579 2HG GLU 81 2HG GLU 81 95.672 -8.727 15.031 580 H ILE 82 H ILE 82 95.086 -8.220 9.967 581 HA ILE 82 HA ILE 82 92.744 -9.503 8.695 582 HB ILE 82 HB ILE 82 95.260 -8.096 7.800 583 1HG1 ILE 82 1HG1 ILE 82 93.071 -7.028 6.507 584 2HG1 ILE 82 2HG1 ILE 82 92.382 -7.519 8.055 585 1HG2 ILE 82 1HG2 ILE 82 94.837 -10.072 6.306 586 2HG2 ILE 82 2HG2 ILE 82 93.231 -9.422 5.974 587 3HG2 ILE 82 3HG2 ILE 82 94.666 -8.522 5.482 588 1HD1 ILE 82 1HD1 ILE 82 95.012 -6.125 8.143 589 2HD1 ILE 82 2HD1 ILE 82 93.609 -5.147 7.714 590 3HD1 ILE 82 3HD1 ILE 82 93.643 -6.015 9.249 591 H THR 83 H THR 83 92.856 -11.511 7.601 592 HA THR 83 HA THR 83 95.320 -13.135 8.144 593 HB THR 83 HB THR 83 92.372 -13.615 8.394 594 HG1 THR 83 HG1 THR 83 92.976 -14.025 10.361 595 1HG2 THR 83 1HG2 THR 83 94.407 -15.633 7.502 596 2HG2 THR 83 2HG2 THR 83 93.104 -16.137 8.579 597 3HG2 THR 83 3HG2 THR 83 92.727 -15.448 7.000 598 H CYS 84 H CYS 84 96.217 -12.658 6.028 599 HA CYS 84 HA CYS 84 94.618 -13.313 3.629 600 1HB CYS 84 1HB CYS 84 97.379 -12.235 4.220 601 2HB CYS 84 2HB CYS 84 96.909 -12.688 2.582 602 H SER 85 H SER 85 94.547 -15.399 2.902 603 HA SER 85 HA SER 85 95.929 -17.601 3.971 604 1HB SER 85 1HB SER 85 94.139 -18.195 2.647 605 2HB SER 85 2HB SER 85 94.455 -16.919 1.473 606 HG SER 85 HG SER 85 95.015 -18.813 0.497 607 H SER 86 H SER 86 97.981 -18.418 3.669 608 HA SER 86 HA SER 86 100.053 -16.886 2.440 609 1HB SER 86 1HB SER 86 101.400 -18.840 2.962 610 2HB SER 86 2HB SER 86 100.212 -18.645 4.249 611 HG SER 86 HG SER 86 100.548 -20.674 2.480 612 H GLU 87 H GLU 87 97.858 -19.295 1.162 613 HA GLU 87 HA GLU 87 99.256 -20.185 -1.131 614 1HB GLU 87 1HB GLU 87 96.417 -19.796 -0.278 615 2HB GLU 87 2HB GLU 87 96.717 -20.162 -1.976 616 1HG GLU 87 1HG GLU 87 97.362 -22.298 -1.532 617 2HG GLU 87 2HG GLU 87 98.239 -21.830 -0.076 618 H ASN 88 H ASN 88 97.834 -17.084 -0.419 619 HA ASN 88 HA ASN 88 97.286 -16.022 -2.946 620 1HB ASN 88 1HB ASN 88 98.586 -14.764 -0.510 621 2HB ASN 88 2HB ASN 88 97.866 -13.852 -1.836 622 1HD2 ASN 88 2HD2 ASN 88 96.110 -12.969 -0.570 623 2HD2 ASN 88 1HD2 ASN 88 94.864 -13.942 0.049 624 H ASN 89 H ASN 89 98.701 -16.446 -4.656 625 HA ASN 89 HA ASN 89 101.524 -16.651 -4.532 626 1HB ASN 89 1HB ASN 89 101.343 -16.220 -6.988 627 2HB ASN 89 2HB ASN 89 100.134 -17.370 -6.421 628 1HD2 ASN 89 2HD2 ASN 89 99.452 -16.130 -8.755 629 2HD2 ASN 89 1HD2 ASN 89 98.288 -14.921 -8.499 630 H ALA 90 H ALA 90 102.742 -14.875 -6.151 631 HA ALA 90 HA ALA 90 103.358 -12.636 -4.615 632 1HB ALA 90 1HB ALA 90 103.459 -13.303 -7.546 633 2HB ALA 90 2HB ALA 90 103.990 -11.715 -6.992 634 3HB ALA 90 3HB ALA 90 104.790 -13.169 -6.395 635 H CYS 91 H CYS 91 101.052 -12.763 -7.357 636 HA CYS 91 HA CYS 91 100.169 -10.043 -7.129 637 1HB CYS 91 1HB CYS 91 99.945 -11.866 -8.993 638 2HB CYS 91 2HB CYS 91 98.478 -12.326 -8.130 639 H GLU 92 H GLU 92 98.657 -13.088 -5.983 640 HA GLU 92 HA GLU 92 96.402 -11.902 -4.716 641 1HB GLU 92 1HB GLU 92 98.004 -14.427 -4.221 642 2HB GLU 92 2HB GLU 92 96.467 -14.093 -3.420 643 1HG GLU 92 1HG GLU 92 96.430 -13.709 -6.347 644 2HG GLU 92 2HG GLU 92 96.693 -15.375 -5.828 645 H ALA 93 H ALA 93 99.692 -12.517 -3.518 646 HA ALA 93 HA ALA 93 99.111 -11.757 -0.775 647 1HB ALA 93 1HB ALA 93 101.353 -12.610 -2.453 648 2HB ALA 93 2HB ALA 93 101.836 -11.415 -1.249 649 3HB ALA 93 3HB ALA 93 101.062 -12.917 -0.741 650 H PHE 94 H PHE 94 100.207 -10.036 -3.667 651 HA PHE 94 HA PHE 94 101.007 -7.603 -2.337 652 1HB PHE 94 1HB PHE 94 101.487 -8.532 -4.715 653 2HB PHE 94 2HB PHE 94 99.926 -7.833 -5.146 654 HD1 PHE 94 HD1 PHE 94 99.548 -5.395 -4.991 655 HD2 PHE 94 HD2 PHE 94 103.394 -7.135 -4.200 656 HE1 PHE 94 HE1 PHE 94 100.599 -3.157 -5.179 657 HE2 PHE 94 HE2 PHE 94 104.446 -4.896 -4.389 658 HZ PHE 94 HZ PHE 94 103.048 -2.908 -4.879 659 H ILE 95 H ILE 95 98.021 -8.482 -4.121 660 HA ILE 95 HA ILE 95 96.596 -6.066 -3.622 661 HB ILE 95 HB ILE 95 95.650 -8.931 -3.980 662 1HG1 ILE 95 1HG1 ILE 95 95.559 -6.934 -6.177 663 2HG1 ILE 95 2HG1 ILE 95 97.166 -7.489 -5.708 664 1HG2 ILE 95 1HG2 ILE 95 94.245 -6.299 -3.858 665 2HG2 ILE 95 2HG2 ILE 95 93.698 -7.456 -5.071 666 3HG2 ILE 95 3HG2 ILE 95 93.683 -7.895 -3.363 667 1HD1 ILE 95 1HD1 ILE 95 95.961 -9.869 -5.776 668 2HD1 ILE 95 2HD1 ILE 95 94.905 -9.027 -6.909 669 3HD1 ILE 95 3HD1 ILE 95 96.634 -9.139 -7.233 670 H CYS 96 H CYS 96 96.899 -9.051 -1.707 671 HA CYS 96 HA CYS 96 94.940 -8.410 0.290 672 1HB CYS 96 1HB CYS 96 96.655 -10.489 -0.366 673 2HB CYS 96 2HB CYS 96 97.308 -9.911 1.167 674 H ASN 97 H ASN 97 98.230 -7.347 -0.248 675 HA ASN 97 HA ASN 97 98.525 -6.234 2.473 676 1HB ASN 97 1HB ASN 97 100.164 -6.462 -0.042 677 2HB ASN 97 2HB ASN 97 100.673 -5.362 1.235 678 1HD2 ASN 97 2HD2 ASN 97 102.469 -7.286 0.924 679 2HD2 ASN 97 1HD2 ASN 97 102.313 -8.522 2.073 680 H CYS 98 H CYS 98 97.675 -5.172 -0.771 681 HA CYS 98 HA CYS 98 98.034 -2.345 -0.414 682 1HB CYS 98 1HB CYS 98 96.242 -4.067 -2.151 683 2HB CYS 98 2HB CYS 98 96.347 -2.316 -2.331 684 H ASP 99 H ASP 99 95.156 -4.442 -0.052 685 HA ASP 99 HA ASP 99 93.443 -2.297 0.892 686 1HB ASP 99 1HB ASP 99 93.322 -5.327 0.930 687 2HB ASP 99 2HB ASP 99 91.992 -4.306 1.481 688 H ARG 100 H ARG 100 95.346 -4.863 2.479 689 HA ARG 100 HA ARG 100 94.442 -4.410 5.154 690 1HB ARG 100 1HB ARG 100 95.876 -6.288 4.056 691 2HB ARG 100 2HB ARG 100 97.243 -5.218 4.369 692 1HG ARG 100 1HG ARG 100 96.108 -5.102 6.789 693 2HG ARG 100 2HG ARG 100 95.506 -6.688 6.300 694 1HD ARG 100 1HD ARG 100 98.421 -6.040 5.923 695 2HD ARG 100 2HD ARG 100 97.826 -6.559 7.508 696 HE ARG 100 HE ARG 100 96.751 -8.252 5.497 697 1HH1 ARG 100 1HH1 ARG 100 99.878 -7.363 6.539 698 2HH1 ARG 100 2HH1 ARG 100 100.470 -8.988 6.626 699 1HH2 ARG 100 1HH2 ARG 100 97.410 -10.427 5.856 700 2HH2 ARG 100 2HH2 ARG 100 99.071 -10.724 6.244 701 H ASN 101 H ASN 101 97.384 -3.219 3.486 702 HA ASN 101 HA ASN 101 98.325 -1.504 5.539 703 1HB ASN 101 1HB ASN 101 98.555 -1.752 2.568 704 2HB ASN 101 2HB ASN 101 99.158 -0.271 3.307 705 1HD2 ASN 101 2HD2 ASN 101 101.182 -1.595 2.265 706 2HD2 ASN 101 1HD2 ASN 101 102.033 -2.519 3.400 707 H ALA 102 H ALA 102 95.749 -1.093 3.180 708 HA ALA 102 HA ALA 102 95.441 1.779 3.538 709 1HB ALA 102 1HB ALA 102 94.743 0.288 1.575 710 2HB ALA 102 2HB ALA 102 93.404 -0.253 2.588 711 3HB ALA 102 3HB ALA 102 93.529 1.444 2.123 712 H ALA 103 H ALA 103 93.621 -1.083 4.699 713 HA ALA 103 HA ALA 103 91.747 0.328 6.323 714 1HB ALA 103 1HB ALA 103 92.886 -2.434 6.119 715 2HB ALA 103 2HB ALA 103 91.925 -2.042 7.546 716 3HB ALA 103 3HB ALA 103 91.214 -1.900 5.939 717 H ILE 104 H ILE 104 94.977 -0.988 7.040 718 HA ILE 104 HA ILE 104 94.998 -0.449 9.848 719 HB ILE 104 HB ILE 104 97.151 -0.625 7.720 720 1HG1 ILE 104 1HG1 ILE 104 96.224 -2.604 9.827 721 2HG1 ILE 104 2HG1 ILE 104 95.734 -2.646 8.133 722 1HG2 ILE 104 1HG2 ILE 104 97.314 0.104 10.548 723 2HG2 ILE 104 2HG2 ILE 104 98.279 -1.322 10.165 724 3HG2 ILE 104 3HG2 ILE 104 98.554 0.188 9.296 725 1HD1 ILE 104 1HD1 ILE 104 98.657 -2.556 8.787 726 2HD1 ILE 104 2HD1 ILE 104 97.794 -4.085 8.956 727 3HD1 ILE 104 3HD1 ILE 104 97.846 -3.269 7.393 728 H CYS 105 H CYS 105 95.706 1.573 7.028 729 HA CYS 105 HA CYS 105 96.966 3.752 8.398 730 1HB CYS 105 1HB CYS 105 96.709 3.141 5.873 731 2HB CYS 105 2HB CYS 105 95.181 4.014 5.978 732 H PHE 106 H PHE 106 93.544 3.138 7.556 733 HA PHE 106 HA PHE 106 92.404 5.527 8.511 734 1HB PHE 106 1HB PHE 106 91.348 2.686 8.642 735 2HB PHE 106 2HB PHE 106 90.365 4.146 8.677 736 HD1 PHE 106 HD1 PHE 106 92.858 5.131 6.579 737 HD2 PHE 106 HD2 PHE 106 89.621 2.308 6.664 738 HE1 PHE 106 HE1 PHE 106 92.788 5.132 4.100 739 HE2 PHE 106 HE2 PHE 106 89.553 2.311 4.186 740 HZ PHE 106 HZ PHE 106 91.138 3.723 2.904 741 H SER 107 H SER 107 93.197 2.512 10.210 742 HA SER 107 HA SER 107 92.216 3.475 12.797 743 1HB SER 107 1HB SER 107 92.501 1.270 13.365 744 2HB SER 107 2HB SER 107 92.611 1.058 11.620 745 HG SER 107 HG SER 107 94.890 1.310 11.844 746 H LYS 108 H LYS 108 95.033 4.017 10.993 747 HA LYS 108 HA LYS 108 96.731 4.381 13.421 748 1HB LYS 108 1HB LYS 108 97.135 3.954 10.487 749 2HB LYS 108 2HB LYS 108 98.393 4.815 11.375 750 1HG LYS 108 1HG LYS 108 97.922 2.749 13.079 751 2HG LYS 108 2HG LYS 108 97.581 1.971 11.533 752 1HD LYS 108 1HD LYS 108 100.078 3.613 11.964 753 2HD LYS 108 2HD LYS 108 100.017 1.894 12.354 754 1HE LYS 108 1HE LYS 108 100.551 1.539 10.169 755 2HE LYS 108 2HE LYS 108 98.888 2.038 9.800 756 1HZ LYS 108 1HZ LYS 108 101.125 3.947 10.203 757 2HZ LYS 108 2HZ LYS 108 100.639 3.394 8.675 758 3HZ LYS 108 3HZ LYS 108 99.564 4.295 9.633 759 H VAL 109 H VAL 109 94.735 6.149 11.313 760 HA VAL 109 HA VAL 109 96.069 8.701 12.150 761 HB VAL 109 HB VAL 109 95.672 9.561 9.928 762 1HG1 VAL 109 1HG1 VAL 109 97.631 8.019 10.252 763 2HG1 VAL 109 2HG1 VAL 109 96.636 6.701 9.635 764 3HG1 VAL 109 3HG1 VAL 109 97.039 8.066 8.592 765 1HG2 VAL 109 1HG2 VAL 109 93.746 7.345 9.871 766 2HG2 VAL 109 2HG2 VAL 109 93.746 8.855 8.960 767 3HG2 VAL 109 3HG2 VAL 109 94.689 7.480 8.388 768 HA PRO 110 HA PRO 110 92.083 9.940 13.497 769 1HB PRO 110 1HB PRO 110 92.103 12.617 12.927 770 2HB PRO 110 2HB PRO 110 93.050 11.902 14.247 771 1HG PRO 110 1HG PRO 110 93.925 12.742 11.532 772 2HG PRO 110 2HG PRO 110 94.765 12.883 13.083 773 1HD PRO 110 1HD PRO 110 95.330 10.962 11.226 774 2HD PRO 110 2HD PRO 110 95.605 10.759 12.970 775 H TYR 111 H TYR 111 90.108 11.382 12.630 776 HA TYR 111 HA TYR 111 89.864 11.139 9.663 777 1HB TYR 111 1HB TYR 111 88.972 9.075 10.391 778 2HB TYR 111 2HB TYR 111 88.256 9.792 11.833 779 HD1 TYR 111 HD1 TYR 111 88.126 10.584 8.160 780 HD2 TYR 111 HD2 TYR 111 85.932 9.764 11.761 781 HE1 TYR 111 HE1 TYR 111 85.994 10.925 6.940 782 HE2 TYR 111 HE2 TYR 111 83.801 10.106 10.540 783 HH TYR 111 HH TYR 111 83.262 11.614 8.172 784 H ASN 112 H ASN 112 90.034 13.562 10.022 785 HA ASN 112 HA ASN 112 88.100 15.061 11.496 786 1HB ASN 112 1HB ASN 112 89.804 15.614 9.054 787 2HB ASN 112 2HB ASN 112 88.856 16.866 9.859 788 1HD2 ASN 112 2HD2 ASN 112 91.895 15.362 9.860 789 2HD2 ASN 112 1HD2 ASN 112 92.410 15.845 11.404 790 H LYS 113 H LYS 113 85.919 14.899 11.141 791 HA LYS 113 HA LYS 113 84.787 14.085 8.583 792 1HB LYS 113 1HB LYS 113 83.571 15.244 11.113 793 2HB LYS 113 2HB LYS 113 82.672 14.440 9.825 794 1HG LYS 113 1HG LYS 113 83.257 12.384 10.559 795 2HG LYS 113 2HG LYS 113 84.944 12.856 10.767 796 1HD LYS 113 1HD LYS 113 84.474 13.845 12.923 797 2HD LYS 113 2HD LYS 113 82.739 13.618 12.699 798 1HE LYS 113 1HE LYS 113 82.981 11.201 12.774 799 2HE LYS 113 2HE LYS 113 84.750 11.342 12.806 800 1HZ LYS 113 1HZ LYS 113 83.286 12.902 14.780 801 2HZ LYS 113 2HZ LYS 113 83.285 11.223 15.017 802 3HZ LYS 113 3HZ LYS 113 84.757 12.066 14.931 803 H GLU 114 H GLU 114 86.026 17.018 9.647 804 HA GLU 114 HA GLU 114 84.065 18.830 8.566 805 1HB GLU 114 1HB GLU 114 86.877 18.923 9.589 806 2HB GLU 114 2HB GLU 114 86.242 20.328 8.731 807 1HG GLU 114 1HG GLU 114 84.879 19.006 11.095 808 2HG GLU 114 2HG GLU 114 85.876 20.459 11.200 809 H HIS 115 H HIS 115 87.190 17.568 7.418 810 HA HIS 115 HA HIS 115 87.082 18.938 4.865 811 1HB HIS 115 1HB HIS 115 88.606 16.501 5.846 812 2HB HIS 115 2HB HIS 115 88.990 17.419 4.393 813 HD1 HIS 115 HD1 HIS 115 89.158 17.579 8.130 814 HD2 HIS 115 HD2 HIS 115 90.150 19.989 4.875 815 HE1 HIS 115 HE1 HIS 115 90.591 19.460 9.040 816 H LYS 116 H LYS 116 85.233 16.427 6.100 817 HA LYS 116 HA LYS 116 85.099 14.542 3.977 818 1HB LYS 116 1HB LYS 116 84.228 14.165 6.208 819 2HB LYS 116 2HB LYS 116 83.135 15.542 6.058 820 1HG LYS 116 1HG LYS 116 82.772 13.718 3.847 821 2HG LYS 116 2HG LYS 116 82.586 12.873 5.385 822 1HD LYS 116 1HD LYS 116 81.259 15.318 5.746 823 2HD LYS 116 2HD LYS 116 80.803 14.787 4.125 824 1HE LYS 116 1HE LYS 116 79.855 12.773 4.915 825 2HE LYS 116 2HE LYS 116 80.725 12.866 6.459 826 1HZ LYS 116 1HZ LYS 116 79.425 15.211 6.419 827 2HZ LYS 116 2HZ LYS 116 78.299 14.216 5.626 828 3HZ LYS 116 3HZ LYS 116 78.837 13.819 7.188 829 H ASN 117 H ASN 117 83.541 14.408 2.245 830 HA ASN 117 HA ASN 117 82.443 15.385 0.380 831 1HB ASN 117 1HB ASN 117 81.133 16.381 2.906 832 2HB ASN 117 2HB ASN 117 80.503 16.869 1.332 833 1HD2 ASN 117 2HD2 ASN 117 79.011 15.185 3.147 834 2HD2 ASN 117 1HD2 ASN 117 78.842 13.660 2.421 835 H LEU 118 H LEU 118 84.847 16.669 0.645 836 HA LEU 118 HA LEU 118 84.576 19.512 1.004 837 1HB LEU 118 1HB LEU 118 86.635 18.612 1.606 838 2HB LEU 118 2HB LEU 118 86.593 17.443 0.305 839 HG LEU 118 HG LEU 118 86.887 19.378 -1.284 840 1HD1 LEU 118 1HD1 LEU 118 86.516 20.893 1.002 841 2HD1 LEU 118 2HD1 LEU 118 88.268 20.921 0.806 842 3HD1 LEU 118 3HD1 LEU 118 87.227 21.493 -0.497 843 1HD2 LEU 118 1HD2 LEU 118 88.713 17.821 0.169 844 2HD2 LEU 118 2HD2 LEU 118 89.021 18.669 -1.347 845 3HD2 LEU 118 3HD2 LEU 118 89.375 19.456 0.190 846 H ASP 119 H ASP 119 85.406 20.901 -0.901 847 HA ASP 119 HA ASP 119 83.768 20.323 -3.278 848 1HB ASP 119 1HB ASP 119 83.912 22.547 -2.116 849 2HB ASP 119 2HB ASP 119 85.598 22.653 -2.624 850 H LYS 120 H LYS 120 84.633 19.193 -4.968 851 HA LYS 120 HA LYS 120 87.212 18.248 -5.286 852 1HB LYS 120 1HB LYS 120 85.001 19.037 -7.158 853 2HB LYS 120 2HB LYS 120 86.534 18.482 -7.831 854 1HG LYS 120 1HG LYS 120 86.379 16.389 -6.613 855 2HG LYS 120 2HG LYS 120 84.942 16.949 -5.756 856 1HD LYS 120 1HD LYS 120 84.424 17.279 -8.529 857 2HD LYS 120 2HD LYS 120 85.103 15.664 -8.323 858 1HE LYS 120 1HE LYS 120 83.279 16.057 -6.173 859 2HE LYS 120 2HE LYS 120 82.454 16.563 -7.661 860 1HZ LYS 120 1HZ LYS 120 83.206 14.521 -8.725 861 2HZ LYS 120 2HZ LYS 120 83.959 14.025 -7.289 862 3HZ LYS 120 3HZ LYS 120 82.268 14.170 -7.353 863 H LYS 121 H LYS 121 86.059 21.503 -5.824 864 HA LYS 121 HA LYS 121 88.152 22.483 -7.510 865 1HB LYS 121 1HB LYS 121 85.992 23.471 -5.792 866 2HB LYS 121 2HB LYS 121 87.369 24.571 -5.863 867 1HG LYS 121 1HG LYS 121 87.128 23.839 -8.487 868 2HG LYS 121 2HG LYS 121 85.443 23.839 -7.965 869 1HD LYS 121 1HD LYS 121 87.258 26.137 -7.260 870 2HD LYS 121 2HD LYS 121 86.465 26.072 -8.834 871 1HE LYS 121 1HE LYS 121 84.526 25.438 -6.803 872 2HE LYS 121 2HE LYS 121 85.334 26.961 -6.384 873 1HZ LYS 121 1HZ LYS 121 84.336 26.323 -9.106 874 2HZ LYS 121 2HZ LYS 121 83.442 27.211 -7.972 875 3HZ LYS 121 3HZ LYS 121 84.921 27.818 -8.549 876 H ASN 122 H ASN 122 88.177 21.437 -4.303 877 HA ASN 122 HA ASN 122 90.601 23.004 -3.562 878 1HB ASN 122 1HB ASN 122 88.477 21.375 -2.228 879 2HB ASN 122 2HB ASN 122 90.059 21.432 -1.458 880 1HD2 ASN 122 2HD2 ASN 122 87.596 23.658 -2.867 881 2HD2 ASN 122 1HD2 ASN 122 87.884 24.915 -1.764 882 H CYS 123 H CYS 123 89.593 20.137 -4.971 883 HA CYS 123 HA CYS 123 91.891 18.493 -4.099 884 1HB CYS 123 1HB CYS 123 89.250 18.195 -5.448 885 2HB CYS 123 2HB CYS 123 90.478 17.006 -5.837 Start of MODEL 6 1 1H ALA 1 1H ALA 1 88.334 -6.871 -5.298 2 2H ALA 1 2H ALA 1 88.202 -7.446 -3.705 3 3H ALA 1 3H ALA 1 88.298 -8.543 -4.996 4 HA ALA 1 HA ALA 1 86.145 -7.944 -5.795 5 1HB ALA 1 1HB ALA 1 86.675 -9.384 -3.634 6 2HB ALA 1 2HB ALA 1 85.838 -8.067 -2.810 7 3HB ALA 1 3HB ALA 1 85.005 -9.001 -4.054 8 H LEU 2 H LEU 2 84.122 -6.905 -4.022 9 HA LEU 2 HA LEU 2 84.811 -3.982 -4.037 10 1HB LEU 2 1HB LEU 2 83.135 -5.181 -5.735 11 2HB LEU 2 2HB LEU 2 82.017 -4.995 -4.384 12 HG LEU 2 HG LEU 2 83.690 -2.679 -5.347 13 1HD1 LEU 2 1HD1 LEU 2 82.237 -3.783 -7.188 14 2HD1 LEU 2 2HD1 LEU 2 80.860 -3.193 -6.258 15 3HD1 LEU 2 3HD1 LEU 2 82.035 -2.053 -6.914 16 1HD2 LEU 2 1HD2 LEU 2 81.975 -3.067 -3.187 17 2HD2 LEU 2 2HD2 LEU 2 82.487 -1.506 -3.827 18 3HD2 LEU 2 3HD2 LEU 2 80.970 -2.226 -4.367 19 H TRP 3 H TRP 3 83.173 -6.635 -2.388 20 HA TRP 3 HA TRP 3 82.401 -4.802 -0.157 21 1HB TRP 3 1HB TRP 3 80.906 -6.635 0.461 22 2HB TRP 3 2HB TRP 3 80.721 -6.302 -1.261 23 HD1 TRP 3 HD1 TRP 3 81.457 -8.137 -2.959 24 HE1 TRP 3 HE1 TRP 3 82.245 -10.580 -2.704 25 HE3 TRP 3 HE3 TRP 3 82.286 -8.280 2.077 26 HZ2 TRP 3 HZ2 TRP 3 83.113 -12.356 -0.643 27 HZ3 TRP 3 HZ3 TRP 3 83.093 -10.357 3.159 28 HH2 TRP 3 HH2 TRP 3 83.508 -12.393 1.806 29 H GLN 4 H GLN 4 84.661 -7.269 -1.045 30 HA GLN 4 HA GLN 4 85.241 -8.345 1.564 31 1HB GLN 4 1HB GLN 4 86.698 -8.121 -1.076 32 2HB GLN 4 2HB GLN 4 87.424 -8.931 0.314 33 1HG GLN 4 1HG GLN 4 84.949 -10.070 0.306 34 2HG GLN 4 2HG GLN 4 85.192 -9.799 -1.421 35 1HE2 GLN 4 2HE2 GLN 4 87.726 -10.363 -2.000 36 2HE2 GLN 4 1HE2 GLN 4 88.211 -11.891 -1.445 37 H PHE 5 H PHE 5 86.812 -5.775 -0.373 38 HA PHE 5 HA PHE 5 88.879 -5.076 1.415 39 1HB PHE 5 1HB PHE 5 88.690 -4.239 -0.859 40 2HB PHE 5 2HB PHE 5 87.174 -3.425 -0.475 41 HD1 PHE 5 HD1 PHE 5 90.226 -3.609 1.653 42 HD2 PHE 5 HD2 PHE 5 87.743 -1.146 -0.840 43 HE1 PHE 5 HE1 PHE 5 91.488 -1.601 2.380 44 HE2 PHE 5 HE2 PHE 5 89.003 0.861 -0.114 45 HZ PHE 5 HZ PHE 5 90.875 0.635 1.497 46 H ASN 6 H ASN 6 85.625 -3.579 1.168 47 HA ASN 6 HA ASN 6 85.811 -1.813 3.358 48 1HB ASN 6 1HB ASN 6 83.735 -3.174 1.760 49 2HB ASN 6 2HB ASN 6 83.193 -2.649 3.354 50 1HD2 ASN 6 2HD2 ASN 6 82.236 -1.406 0.939 51 2HD2 ASN 6 1HD2 ASN 6 82.811 0.191 0.904 52 H GLY 7 H GLY 7 85.167 -5.293 3.305 53 1HA GLY 7 1HA GLY 7 84.267 -5.546 6.013 54 2HA GLY 7 2HA GLY 7 84.972 -6.849 5.053 55 H MET 8 H MET 8 87.495 -5.541 4.549 56 HA MET 8 HA MET 8 88.989 -6.357 6.843 57 1HB MET 8 1HB MET 8 89.492 -4.704 4.374 58 2HB MET 8 2HB MET 8 90.762 -4.897 5.583 59 1HG MET 8 1HG MET 8 90.469 -7.383 5.406 60 2HG MET 8 2HG MET 8 89.336 -7.112 4.083 61 1HE MET 8 1HE MET 8 90.919 -8.863 3.117 62 2HE MET 8 2HE MET 8 92.464 -8.523 2.340 63 3HE MET 8 3HE MET 8 92.395 -8.745 4.086 64 H ILE 9 H ILE 9 87.896 -3.145 5.754 65 HA ILE 9 HA ILE 9 89.222 -1.624 7.804 66 HB ILE 9 HB ILE 9 86.673 -1.073 6.247 67 1HG1 ILE 9 1HG1 ILE 9 89.579 -0.513 5.567 68 2HG1 ILE 9 2HG1 ILE 9 88.544 -1.698 4.769 69 1HG2 ILE 9 1HG2 ILE 9 88.692 0.755 7.585 70 2HG2 ILE 9 2HG2 ILE 9 87.379 1.303 6.544 71 3HG2 ILE 9 3HG2 ILE 9 87.016 0.509 8.077 72 1HD1 ILE 9 1HD1 ILE 9 87.536 1.104 4.929 73 2HD1 ILE 9 2HD1 ILE 9 88.853 0.780 3.800 74 3HD1 ILE 9 3HD1 ILE 9 87.328 -0.094 3.651 75 H LYS 10 H LYS 10 86.262 -3.495 7.759 76 HA LYS 10 HA LYS 10 85.088 -2.224 10.114 77 1HB LYS 10 1HB LYS 10 84.559 -4.642 8.395 78 2HB LYS 10 2HB LYS 10 83.631 -4.371 9.871 79 1HG LYS 10 1HG LYS 10 82.789 -2.285 9.079 80 2HG LYS 10 2HG LYS 10 83.954 -2.237 7.756 81 1HD LYS 10 1HD LYS 10 82.680 -3.567 6.431 82 2HD LYS 10 2HD LYS 10 82.268 -4.648 7.763 83 1HE LYS 10 1HE LYS 10 81.031 -2.043 8.142 84 2HE LYS 10 2HE LYS 10 80.559 -2.758 6.587 85 1HZ LYS 10 1HZ LYS 10 80.351 -4.912 7.938 86 2HZ LYS 10 2HZ LYS 10 80.291 -3.898 9.299 87 3HZ LYS 10 3HZ LYS 10 79.112 -3.758 8.088 88 H CYS 11 H CYS 11 86.944 -5.212 9.492 89 HA CYS 11 HA CYS 11 86.696 -6.353 12.075 90 1HB CYS 11 1HB CYS 11 87.625 -7.258 9.824 91 2HB CYS 11 2HB CYS 11 89.150 -6.532 10.333 92 H LYS 12 H LYS 12 89.100 -4.095 10.728 93 HA LYS 12 HA LYS 12 90.661 -3.946 13.186 94 1HB LYS 12 1HB LYS 12 90.535 -2.071 10.802 95 2HB LYS 12 2HB LYS 12 91.879 -2.253 11.930 96 1HG LYS 12 1HG LYS 12 91.377 -4.851 11.024 97 2HG LYS 12 2HG LYS 12 91.223 -3.846 9.583 98 1HD LYS 12 1HD LYS 12 93.559 -4.586 9.912 99 2HD LYS 12 2HD LYS 12 93.419 -2.833 10.042 100 1HE LYS 12 1HE LYS 12 92.959 -3.832 12.651 101 2HE LYS 12 2HE LYS 12 94.376 -4.701 12.026 102 1HZ LYS 12 1HZ LYS 12 94.044 -1.788 11.638 103 2HZ LYS 12 2HZ LYS 12 94.779 -2.412 13.037 104 3HZ LYS 12 3HZ LYS 12 95.459 -2.714 11.508 105 H ILE 13 H ILE 13 88.343 -1.757 11.553 106 HA ILE 13 HA ILE 13 88.067 -0.271 14.144 107 HB ILE 13 HB ILE 13 87.529 0.653 11.304 108 1HG1 ILE 13 1HG1 ILE 13 89.889 1.463 13.001 109 2HG1 ILE 13 2HG1 ILE 13 89.968 0.034 11.970 110 1HG2 ILE 13 1HG2 ILE 13 86.758 1.716 13.777 111 2HG2 ILE 13 2HG2 ILE 13 88.167 2.666 13.303 112 3HG2 ILE 13 3HG2 ILE 13 86.771 2.564 12.230 113 1HD1 ILE 13 1HD1 ILE 13 88.822 2.252 10.509 114 2HD1 ILE 13 2HD1 ILE 13 90.383 2.712 11.189 115 3HD1 ILE 13 3HD1 ILE 13 90.261 1.304 10.134 116 HA PRO 14 HA PRO 14 84.031 -2.321 13.224 117 1HB PRO 14 1HB PRO 14 83.637 -3.295 15.748 118 2HB PRO 14 2HB PRO 14 84.557 -4.172 14.510 119 1HG PRO 14 1HG PRO 14 85.531 -2.591 16.823 120 2HG PRO 14 2HG PRO 14 86.197 -4.060 16.096 121 1HD PRO 14 1HD PRO 14 87.186 -1.519 15.687 122 2HD PRO 14 2HD PRO 14 87.439 -2.890 14.587 123 H SER 15 H SER 15 85.219 -0.068 15.590 124 HA SER 15 HA SER 15 82.638 0.719 16.684 125 1HB SER 15 1HB SER 15 83.967 2.386 17.799 126 2HB SER 15 2HB SER 15 84.967 0.938 17.704 127 HG SER 15 HG SER 15 86.264 1.929 16.361 128 H SER 16 H SER 16 84.327 1.370 13.756 129 HA SER 16 HA SER 16 82.399 3.581 13.137 130 1HB SER 16 1HB SER 16 85.049 3.933 13.651 131 2HB SER 16 2HB SER 16 85.103 3.641 11.915 132 HG SER 16 HG SER 16 84.582 5.885 13.005 133 H GLU 17 H GLU 17 81.177 2.947 11.403 134 HA GLU 17 HA GLU 17 81.894 0.668 9.749 135 1HB GLU 17 1HB GLU 17 79.761 2.810 9.465 136 2HB GLU 17 2HB GLU 17 79.770 1.253 8.635 137 1HG GLU 17 1HG GLU 17 79.960 1.344 11.633 138 2HG GLU 17 2HG GLU 17 78.389 1.510 10.849 139 HA PRO 18 HA PRO 18 84.178 2.855 6.681 140 1HB PRO 18 1HB PRO 18 83.970 1.041 4.644 141 2HB PRO 18 2HB PRO 18 85.018 0.794 6.056 142 1HG PRO 18 1HG PRO 18 82.350 -0.364 5.454 143 2HG PRO 18 2HG PRO 18 83.745 -1.095 6.259 144 1HD PRO 18 1HD PRO 18 81.532 -0.130 7.569 145 2HD PRO 18 2HD PRO 18 83.141 -0.295 8.305 146 H LEU 19 H LEU 19 80.960 1.574 5.902 147 HA LEU 19 HA LEU 19 80.635 3.292 3.548 148 1HB LEU 19 1HB LEU 19 79.090 1.256 5.094 149 2HB LEU 19 2HB LEU 19 78.170 2.371 4.082 150 HG LEU 19 HG LEU 19 80.560 0.821 3.059 151 1HD1 LEU 19 1HD1 LEU 19 77.694 0.044 3.373 152 2HD1 LEU 19 2HD1 LEU 19 78.499 -0.411 1.871 153 3HD1 LEU 19 3HD1 LEU 19 79.142 -0.962 3.419 154 1HD2 LEU 19 1HD2 LEU 19 79.324 3.011 2.020 155 2HD2 LEU 19 2HD2 LEU 19 80.084 1.763 1.030 156 3HD2 LEU 19 3HD2 LEU 19 78.343 1.728 1.310 157 H LEU 20 H LEU 20 80.432 3.782 6.903 158 HA LEU 20 HA LEU 20 78.723 6.212 6.476 159 1HB LEU 20 1HB LEU 20 78.835 4.443 8.938 160 2HB LEU 20 2HB LEU 20 77.692 5.750 8.620 161 HG LEU 20 HG LEU 20 77.937 3.273 6.893 162 1HD1 LEU 20 1HD1 LEU 20 77.165 2.737 9.201 163 2HD1 LEU 20 2HD1 LEU 20 75.879 3.929 9.023 164 3HD1 LEU 20 3HD1 LEU 20 75.897 2.493 8.000 165 1HD2 LEU 20 1HD2 LEU 20 76.509 5.807 6.708 166 2HD2 LEU 20 2HD2 LEU 20 76.695 4.541 5.494 167 3HD2 LEU 20 3HD2 LEU 20 75.400 4.437 6.685 168 H ASP 21 H ASP 21 81.680 5.959 6.449 169 HA ASP 21 HA ASP 21 82.309 8.126 8.277 170 1HB ASP 21 1HB ASP 21 82.248 5.540 9.339 171 2HB ASP 21 2HB ASP 21 83.961 5.854 9.063 172 H PHE 22 H PHE 22 83.485 5.478 6.224 173 HA PHE 22 HA PHE 22 85.810 7.214 5.455 174 1HB PHE 22 1HB PHE 22 85.473 4.200 5.574 175 2HB PHE 22 2HB PHE 22 86.912 5.011 4.955 176 HD1 PHE 22 HD1 PHE 22 88.088 6.710 6.528 177 HD2 PHE 22 HD2 PHE 22 85.252 3.779 7.876 178 HE1 PHE 22 HE1 PHE 22 88.952 6.934 8.842 179 HE2 PHE 22 HE2 PHE 22 86.117 4.003 10.187 180 HZ PHE 22 HZ PHE 22 87.967 5.580 10.672 181 H ASN 23 H ASN 23 83.600 7.839 4.058 182 HA ASN 23 HA ASN 23 84.100 6.604 1.392 183 1HB ASN 23 1HB ASN 23 82.239 5.390 2.457 184 2HB ASN 23 2HB ASN 23 81.404 6.916 2.755 185 1HD2 ASN 23 2HD2 ASN 23 80.135 7.764 1.057 186 2HD2 ASN 23 1HD2 ASN 23 80.075 7.101 -0.504 187 H ASN 24 H ASN 24 83.535 8.038 -0.358 188 HA ASN 24 HA ASN 24 83.486 10.207 -1.322 189 1HB ASN 24 1HB ASN 24 81.110 9.515 -0.541 190 2HB ASN 24 2HB ASN 24 81.357 10.672 0.768 191 1HD2 ASN 24 2HD2 ASN 24 82.466 12.864 -0.278 192 2HD2 ASN 24 1HD2 ASN 24 81.601 13.471 -1.607 193 H TYR 25 H TYR 25 85.625 10.238 0.301 194 HA TYR 25 HA TYR 25 85.421 12.875 1.695 195 1HB TYR 25 1HB TYR 25 85.176 11.189 3.409 196 2HB TYR 25 2HB TYR 25 86.502 10.240 2.739 197 HD1 TYR 25 HD1 TYR 25 88.838 11.364 2.652 198 HD2 TYR 25 HD2 TYR 25 85.590 12.794 5.071 199 HE1 TYR 25 HE1 TYR 25 90.445 12.608 4.075 200 HE2 TYR 25 HE2 TYR 25 87.196 14.037 6.492 201 HH TYR 25 HH TYR 25 90.028 13.550 6.926 202 H GLY 26 H GLY 26 87.585 13.907 1.912 203 1HA GLY 26 1HA GLY 26 89.585 14.597 0.861 204 2HA GLY 26 2HA GLY 26 90.035 12.901 1.049 205 H CYS 27 H CYS 27 91.188 13.422 -1.054 206 HA CYS 27 HA CYS 27 89.377 13.489 -3.418 207 1HB CYS 27 1HB CYS 27 91.795 14.688 -2.739 208 2HB CYS 27 2HB CYS 27 92.265 13.421 -3.874 209 H TYR 28 H TYR 28 91.245 11.233 -1.575 210 HA TYR 28 HA TYR 28 91.335 9.329 -3.879 211 1HB TYR 28 1HB TYR 28 92.736 9.453 -1.193 212 2HB TYR 28 2HB TYR 28 92.951 8.141 -2.355 213 HD1 TYR 28 HD1 TYR 28 93.722 8.747 -4.729 214 HD2 TYR 28 HD2 TYR 28 93.964 11.459 -1.407 215 HE1 TYR 28 HE1 TYR 28 95.393 10.103 -5.960 216 HE2 TYR 28 HE2 TYR 28 95.637 12.815 -2.637 217 HH TYR 28 HH TYR 28 96.621 11.951 -5.955 218 H CYS 29 H CYS 29 90.217 9.632 -0.500 219 HA CYS 29 HA CYS 29 89.238 6.975 -0.179 220 1HB CYS 29 1HB CYS 29 88.192 9.589 0.950 221 2HB CYS 29 2HB CYS 29 87.929 7.988 1.637 222 H GLY 30 H GLY 30 86.806 6.468 -0.026 223 1HA GLY 30 1HA GLY 30 84.635 6.457 -0.956 224 2HA GLY 30 2HA GLY 30 84.998 8.010 -1.712 225 H LEU 31 H LEU 31 83.805 6.812 -3.547 226 HA LEU 31 HA LEU 31 85.661 5.001 -5.040 227 1HB LEU 31 1HB LEU 31 82.961 4.860 -4.392 228 2HB LEU 31 2HB LEU 31 82.944 5.402 -6.071 229 HG LEU 31 HG LEU 31 84.527 3.533 -6.625 230 1HD1 LEU 31 1HD1 LEU 31 84.391 3.254 -3.708 231 2HD1 LEU 31 2HD1 LEU 31 84.118 1.735 -4.561 232 3HD1 LEU 31 3HD1 LEU 31 85.602 2.647 -4.838 233 1HD2 LEU 31 1HD2 LEU 31 81.725 3.405 -5.977 234 2HD2 LEU 31 2HD2 LEU 31 82.604 2.519 -7.223 235 3HD2 LEU 31 3HD2 LEU 31 82.476 1.856 -5.594 236 H GLY 32 H GLY 32 86.242 7.807 -5.013 237 1HA GLY 32 1HA GLY 32 86.512 8.349 -7.791 238 2HA GLY 32 2HA GLY 32 85.114 9.246 -7.197 239 H GLY 33 H GLY 33 87.207 10.719 -8.133 240 1HA GLY 33 1HA GLY 33 87.910 12.800 -6.890 241 2HA GLY 33 2HA GLY 33 88.522 11.719 -5.636 242 H SER 34 H SER 34 90.236 13.561 -6.847 243 HA SER 34 HA SER 34 92.388 11.868 -7.733 244 1HB SER 34 1HB SER 34 90.819 11.796 -9.697 245 2HB SER 34 2HB SER 34 91.016 13.538 -9.865 246 HG SER 34 HG SER 34 92.873 13.196 -10.779 247 H GLY 35 H GLY 35 93.920 13.050 -6.630 248 1HA GLY 35 1HA GLY 35 95.247 15.247 -7.410 249 2HA GLY 35 2HA GLY 35 93.822 16.004 -6.699 250 H THR 36 H THR 36 96.127 16.658 -5.492 251 HA THR 36 HA THR 36 97.298 15.057 -3.532 252 HB THR 36 HB THR 36 96.415 17.944 -3.232 253 HG1 THR 36 HG1 THR 36 97.779 18.386 -4.748 254 1HG2 THR 36 1HG2 THR 36 97.432 16.767 -1.240 255 2HG2 THR 36 2HG2 THR 36 98.893 16.545 -2.203 256 3HG2 THR 36 3HG2 THR 36 98.339 18.171 -1.805 257 HA PRO 37 HA PRO 37 93.998 14.090 -0.773 258 1HB PRO 37 1HB PRO 37 95.486 13.460 1.440 259 2HB PRO 37 2HB PRO 37 95.346 12.390 0.030 260 1HG PRO 37 1HG PRO 37 97.553 14.232 0.798 261 2HG PRO 37 2HG PRO 37 97.628 12.622 0.066 262 1HD PRO 37 1HD PRO 37 97.960 14.941 -1.340 263 2HD PRO 37 2HD PRO 37 97.351 13.432 -2.056 264 H VAL 38 H VAL 38 93.550 14.666 1.759 265 HA VAL 38 HA VAL 38 94.135 17.596 2.053 266 HB VAL 38 HB VAL 38 91.877 17.532 3.264 267 1HG1 VAL 38 1HG1 VAL 38 92.543 17.713 0.540 268 2HG1 VAL 38 2HG1 VAL 38 91.131 16.658 0.598 269 3HG1 VAL 38 3HG1 VAL 38 91.054 18.273 1.302 270 1HG2 VAL 38 1HG2 VAL 38 92.010 14.995 3.533 271 2HG2 VAL 38 2HG2 VAL 38 90.471 15.618 2.940 272 3HG2 VAL 38 3HG2 VAL 38 91.616 14.884 1.819 273 H ASP 39 H ASP 39 93.819 14.483 3.722 274 HA ASP 39 HA ASP 39 95.275 15.682 6.043 275 1HB ASP 39 1HB ASP 39 92.543 14.649 5.871 276 2HB ASP 39 2HB ASP 39 93.482 13.856 7.137 277 H ASP 40 H ASP 40 95.567 13.550 7.646 278 HA ASP 40 HA ASP 40 97.481 11.880 6.290 279 1HB ASP 40 1HB ASP 40 96.073 11.605 8.966 280 2HB ASP 40 2HB ASP 40 97.552 10.764 8.503 281 H LEU 41 H LEU 41 94.068 11.422 7.192 282 HA LEU 41 HA LEU 41 94.001 8.589 6.608 283 1HB LEU 41 1HB LEU 41 92.374 9.923 8.006 284 2HB LEU 41 2HB LEU 41 91.755 10.626 6.509 285 HG LEU 41 HG LEU 41 91.343 8.273 5.681 286 1HD1 LEU 41 1HD1 LEU 41 92.927 7.174 7.253 287 2HD1 LEU 41 2HD1 LEU 41 91.860 7.596 8.591 288 3HD1 LEU 41 3HD1 LEU 41 91.309 6.477 7.345 289 1HD2 LEU 41 1HD2 LEU 41 89.954 9.321 8.154 290 2HD2 LEU 41 2HD2 LEU 41 89.442 9.476 6.473 291 3HD2 LEU 41 3HD2 LEU 41 89.372 7.907 7.276 292 H ASP 42 H ASP 42 93.024 11.484 4.726 293 HA ASP 42 HA ASP 42 92.152 10.196 2.371 294 1HB ASP 42 1HB ASP 42 92.151 12.677 3.054 295 2HB ASP 42 2HB ASP 42 93.817 12.725 2.476 296 H ARG 43 H ARG 43 95.407 10.930 3.531 297 HA ARG 43 HA ARG 43 96.910 10.298 1.199 298 1HB ARG 43 1HB ARG 43 97.318 10.258 4.177 299 2HB ARG 43 2HB ARG 43 98.586 9.623 3.129 300 1HG ARG 43 1HG ARG 43 97.564 12.146 2.123 301 2HG ARG 43 2HG ARG 43 98.154 12.312 3.778 302 1HD ARG 43 1HD ARG 43 99.901 12.628 1.936 303 2HD ARG 43 2HD ARG 43 100.320 11.435 3.171 304 HE ARG 43 HE ARG 43 98.906 10.038 1.222 305 1HH1 ARG 43 1HH1 ARG 43 100.516 12.228 -0.343 306 2HH1 ARG 43 2HH1 ARG 43 101.873 11.276 -0.847 307 1HH2 ARG 43 1HH2 ARG 43 101.190 8.665 1.329 308 2HH2 ARG 43 2HH2 ARG 43 102.255 9.261 0.100 309 H CYS 44 H CYS 44 95.694 8.251 3.846 310 HA CYS 44 HA CYS 44 96.886 5.809 3.114 311 1HB CYS 44 1HB CYS 44 94.131 6.352 4.263 312 2HB CYS 44 2HB CYS 44 95.027 4.847 4.418 313 H CYS 45 H CYS 45 93.854 7.314 2.039 314 HA CYS 45 HA CYS 45 92.905 5.179 0.392 315 1HB CYS 45 1HB CYS 45 92.575 8.196 0.300 316 2HB CYS 45 2HB CYS 45 91.611 7.079 -0.667 317 H GLN 46 H GLN 46 94.935 8.023 -0.372 318 HA GLN 46 HA GLN 46 95.224 7.564 -3.168 319 1HB GLN 46 1HB GLN 46 95.893 9.591 -1.842 320 2HB GLN 46 2HB GLN 46 97.246 8.671 -1.189 321 1HG GLN 46 1HG GLN 46 98.235 8.421 -3.366 322 2HG GLN 46 2HG GLN 46 96.796 9.053 -4.158 323 1HE2 GLN 46 2HE2 GLN 46 98.870 10.463 -4.935 324 2HE2 GLN 46 1HE2 GLN 46 99.059 11.913 -4.081 325 H THR 47 H THR 47 97.081 6.328 -0.394 326 HA THR 47 HA THR 47 99.127 4.981 -1.802 327 HB THR 47 HB THR 47 97.722 4.297 0.798 328 HG1 THR 47 HG1 THR 47 98.527 6.328 0.944 329 1HG2 THR 47 1HG2 THR 47 99.932 3.063 -0.635 330 2HG2 THR 47 2HG2 THR 47 100.435 3.638 0.954 331 3HG2 THR 47 3HG2 THR 47 99.090 2.506 0.812 332 H HIS 48 H HIS 48 95.794 4.047 -1.088 333 HA HIS 48 HA HIS 48 95.975 1.268 -1.748 334 1HB HIS 48 1HB HIS 48 94.099 2.709 -0.652 335 2HB HIS 48 2HB HIS 48 93.603 3.052 -2.310 336 HD1 HIS 48 HD1 HIS 48 91.407 1.626 -1.410 337 HD2 HIS 48 HD2 HIS 48 94.912 -0.521 -2.109 338 HE1 HIS 48 HE1 HIS 48 90.730 -0.806 -1.615 339 H ASP 49 H ASP 49 95.030 4.090 -3.725 340 HA ASP 49 HA ASP 49 94.704 2.729 -6.188 341 1HB ASP 49 1HB ASP 49 95.310 5.517 -5.262 342 2HB ASP 49 2HB ASP 49 95.406 5.164 -6.987 343 H ASN 50 H ASN 50 97.554 4.220 -4.680 344 HA ASN 50 HA ASN 50 99.388 3.882 -6.815 345 1HB ASN 50 1HB ASN 50 99.488 4.203 -3.834 346 2HB ASN 50 2HB ASN 50 100.983 3.867 -4.705 347 1HD2 ASN 50 2HD2 ASN 50 98.547 6.304 -4.075 348 2HD2 ASN 50 1HD2 ASN 50 99.276 7.545 -4.975 349 H CYS 51 H CYS 51 98.576 1.769 -4.055 350 HA CYS 51 HA CYS 51 100.491 -0.287 -4.621 351 1HB CYS 51 1HB CYS 51 98.990 0.228 -2.552 352 2HB CYS 51 2HB CYS 51 97.770 -0.727 -3.394 353 H TYR 52 H TYR 52 97.138 0.230 -5.710 354 HA TYR 52 HA TYR 52 96.798 -2.282 -7.051 355 1HB TYR 52 1HB TYR 52 95.585 0.451 -7.071 356 2HB TYR 52 2HB TYR 52 95.173 -0.632 -8.401 357 HD1 TYR 52 HD1 TYR 52 95.049 -3.257 -7.277 358 HD2 TYR 52 HD2 TYR 52 93.853 0.465 -5.499 359 HE1 TYR 52 HE1 TYR 52 93.466 -4.470 -5.802 360 HE2 TYR 52 HE2 TYR 52 92.271 -0.748 -4.025 361 HH TYR 52 HH TYR 52 91.344 -3.931 -4.545 362 H LYS 53 H LYS 53 98.288 0.776 -8.018 363 HA LYS 53 HA LYS 53 98.568 0.138 -10.842 364 1HB LYS 53 1HB LYS 53 100.469 1.885 -9.278 365 2HB LYS 53 2HB LYS 53 99.832 2.133 -10.901 366 1HG LYS 53 1HG LYS 53 97.621 2.065 -9.132 367 2HG LYS 53 2HG LYS 53 98.819 3.137 -8.418 368 1HD LYS 53 1HD LYS 53 98.076 4.721 -9.843 369 2HD LYS 53 2HD LYS 53 98.866 3.797 -11.122 370 1HE LYS 53 1HE LYS 53 96.834 2.613 -11.642 371 2HE LYS 53 2HE LYS 53 96.026 3.253 -10.196 372 1HZ LYS 53 1HZ LYS 53 96.378 5.497 -11.055 373 2HZ LYS 53 2HZ LYS 53 97.081 4.860 -12.463 374 3HZ LYS 53 3HZ LYS 53 95.441 4.575 -12.126 375 H GLN 54 H GLN 54 100.813 0.193 -8.117 376 HA GLN 54 HA GLN 54 103.048 -1.017 -9.327 377 1HB GLN 54 1HB GLN 54 101.926 -1.070 -6.515 378 2HB GLN 54 2HB GLN 54 103.527 -1.690 -6.913 379 1HG GLN 54 1HG GLN 54 103.856 0.649 -8.055 380 2HG GLN 54 2HG GLN 54 102.518 1.140 -7.014 381 1HE2 GLN 54 2HE2 GLN 54 105.465 -0.917 -6.584 382 2HE2 GLN 54 1HE2 GLN 54 105.937 -0.182 -5.127 383 H ALA 55 H ALA 55 100.138 -2.441 -7.923 384 HA ALA 55 HA ALA 55 100.993 -5.190 -7.961 385 1HB ALA 55 1HB ALA 55 98.394 -3.675 -7.871 386 2HB ALA 55 2HB ALA 55 98.375 -5.432 -8.026 387 3HB ALA 55 3HB ALA 55 99.132 -4.678 -6.622 388 H LYS 56 H LYS 56 99.714 -3.019 -10.408 389 HA LYS 56 HA LYS 56 98.926 -5.069 -12.306 390 1HB LYS 56 1HB LYS 56 99.568 -2.111 -12.441 391 2HB LYS 56 2HB LYS 56 99.031 -3.024 -13.852 392 1HG LYS 56 1HG LYS 56 97.292 -3.662 -11.675 393 2HG LYS 56 2HG LYS 56 97.432 -1.906 -11.764 394 1HD LYS 56 1HD LYS 56 97.127 -2.341 -14.360 395 2HD LYS 56 2HD LYS 56 96.363 -3.827 -13.797 396 1HE LYS 56 1HE LYS 56 94.646 -2.672 -12.673 397 2HE LYS 56 2HE LYS 56 95.584 -1.167 -12.598 398 1HZ LYS 56 1HZ LYS 56 95.137 -2.258 -15.253 399 2HZ LYS 56 2HZ LYS 56 93.755 -1.646 -14.476 400 3HZ LYS 56 3HZ LYS 56 95.106 -0.646 -14.725 401 H LYS 57 H LYS 57 101.786 -2.926 -12.056 402 HA LYS 57 HA LYS 57 103.226 -3.892 -14.273 403 1HB LYS 57 1HB LYS 57 103.544 -2.119 -12.128 404 2HB LYS 57 2HB LYS 57 104.882 -3.258 -11.963 405 1HG LYS 57 1HG LYS 57 104.259 -2.141 -14.675 406 2HG LYS 57 2HG LYS 57 105.131 -1.135 -13.517 407 1HD LYS 57 1HD LYS 57 106.126 -3.904 -13.696 408 2HD LYS 57 2HD LYS 57 106.319 -2.969 -15.179 409 1HE LYS 57 1HE LYS 57 107.818 -1.501 -14.217 410 2HE LYS 57 2HE LYS 57 107.061 -1.618 -12.616 411 1HZ LYS 57 1HZ LYS 57 107.819 -4.118 -12.921 412 2HZ LYS 57 2HZ LYS 57 109.012 -3.390 -13.881 413 3HZ LYS 57 3HZ LYS 57 108.849 -2.948 -12.248 414 H LEU 58 H LEU 58 102.794 -5.245 -11.058 415 HA LEU 58 HA LEU 58 104.878 -6.999 -10.692 416 1HB LEU 58 1HB LEU 58 102.144 -6.720 -9.917 417 2HB LEU 58 2HB LEU 58 102.430 -8.425 -10.268 418 HG LEU 58 HG LEU 58 102.964 -8.028 -7.935 419 1HD1 LEU 58 1HD1 LEU 58 104.733 -9.099 -9.812 420 2HD1 LEU 58 2HD1 LEU 58 105.742 -8.046 -8.819 421 3HD1 LEU 58 3HD1 LEU 58 104.801 -9.334 -8.066 422 1HD2 LEU 58 1HD2 LEU 58 103.408 -5.520 -8.414 423 2HD2 LEU 58 2HD2 LEU 58 104.398 -6.302 -7.182 424 3HD2 LEU 58 3HD2 LEU 58 105.054 -6.026 -8.796 425 H ASP 59 H ASP 59 105.852 -8.342 -12.168 426 HA ASP 59 HA ASP 59 104.966 -9.160 -14.660 427 1HB ASP 59 1HB ASP 59 106.445 -11.240 -14.115 428 2HB ASP 59 2HB ASP 59 107.192 -9.644 -14.037 429 H SER 60 H SER 60 104.600 -11.141 -11.682 430 HA SER 60 HA SER 60 103.054 -13.217 -12.725 431 1HB SER 60 1HB SER 60 103.205 -11.813 -10.066 432 2HB SER 60 2HB SER 60 102.092 -13.159 -10.295 433 HG SER 60 HG SER 60 104.719 -13.219 -9.858 434 H CYS 61 H CYS 61 101.756 -10.297 -11.091 435 HA CYS 61 HA CYS 61 99.020 -10.754 -11.712 436 1HB CYS 61 1HB CYS 61 100.592 -8.181 -11.337 437 2HB CYS 61 2HB CYS 61 98.838 -8.318 -11.219 438 H LYS 62 H LYS 62 101.637 -9.398 -13.633 439 HA LYS 62 HA LYS 62 99.929 -8.221 -15.676 440 1HB LYS 62 1HB LYS 62 102.384 -7.729 -14.953 441 2HB LYS 62 2HB LYS 62 102.800 -9.084 -16.004 442 1HG LYS 62 1HG LYS 62 100.920 -7.228 -17.264 443 2HG LYS 62 2HG LYS 62 102.445 -6.455 -16.825 444 1HD LYS 62 1HD LYS 62 103.686 -7.766 -18.260 445 2HD LYS 62 2HD LYS 62 102.586 -9.138 -18.127 446 1HE LYS 62 1HE LYS 62 101.093 -7.020 -19.300 447 2HE LYS 62 2HE LYS 62 102.642 -7.109 -20.163 448 1HZ LYS 62 1HZ LYS 62 101.294 -9.610 -19.437 449 2HZ LYS 62 2HZ LYS 62 100.695 -8.736 -20.765 450 3HZ LYS 62 3HZ LYS 62 102.306 -9.277 -20.757 451 H VAL 63 H VAL 63 101.245 -11.413 -15.077 452 HA VAL 63 HA VAL 63 100.529 -12.274 -17.846 453 HB VAL 63 HB VAL 63 101.917 -14.232 -17.259 454 1HG1 VAL 63 1HG1 VAL 63 102.809 -11.768 -17.845 455 2HG1 VAL 63 2HG1 VAL 63 103.548 -11.949 -16.255 456 3HG1 VAL 63 3HG1 VAL 63 103.908 -13.111 -17.531 457 1HG2 VAL 63 1HG2 VAL 63 101.225 -14.140 -14.803 458 2HG2 VAL 63 2HG2 VAL 63 102.933 -14.462 -15.100 459 3HG2 VAL 63 3HG2 VAL 63 102.411 -12.850 -14.611 460 H LEU 64 H LEU 64 98.583 -11.778 -15.528 461 HA LEU 64 HA LEU 64 97.437 -14.547 -15.401 462 1HB LEU 64 1HB LEU 64 97.550 -12.241 -13.451 463 2HB LEU 64 2HB LEU 64 96.380 -13.546 -13.259 464 HG LEU 64 HG LEU 64 99.332 -14.086 -13.609 465 1HD1 LEU 64 1HD1 LEU 64 98.335 -12.671 -11.483 466 2HD1 LEU 64 2HD1 LEU 64 98.184 -14.328 -10.901 467 3HD1 LEU 64 3HD1 LEU 64 99.757 -13.711 -11.407 468 1HD2 LEU 64 1HD2 LEU 64 97.018 -15.676 -12.452 469 2HD2 LEU 64 2HD2 LEU 64 97.795 -15.962 -14.010 470 3HD2 LEU 64 3HD2 LEU 64 98.693 -16.225 -12.514 471 H VAL 65 H VAL 65 96.034 -11.393 -14.564 472 HA VAL 65 HA VAL 65 94.330 -11.377 -16.920 473 HB VAL 65 HB VAL 65 93.378 -11.949 -14.128 474 1HG1 VAL 65 1HG1 VAL 65 91.952 -10.794 -16.476 475 2HG1 VAL 65 2HG1 VAL 65 91.095 -12.028 -15.554 476 3HG1 VAL 65 3HG1 VAL 65 91.652 -10.559 -14.754 477 1HG2 VAL 65 1HG2 VAL 65 93.415 -13.447 -16.735 478 2HG2 VAL 65 2HG2 VAL 65 93.899 -14.001 -15.133 479 3HG2 VAL 65 3HG2 VAL 65 92.189 -13.827 -15.527 480 H ASP 66 H ASP 66 96.207 -9.724 -15.257 481 HA ASP 66 HA ASP 66 96.378 -7.500 -14.390 482 1HB ASP 66 1HB ASP 66 95.724 -5.966 -16.141 483 2HB ASP 66 2HB ASP 66 96.269 -7.457 -16.909 484 H ASN 67 H ASN 67 94.613 -5.372 -14.524 485 HA ASN 67 HA ASN 67 92.933 -4.423 -13.137 486 1HB ASN 67 1HB ASN 67 91.878 -5.560 -15.208 487 2HB ASN 67 2HB ASN 67 91.374 -6.829 -14.091 488 1HD2 ASN 67 2HD2 ASN 67 90.260 -4.026 -15.491 489 2HD2 ASN 67 1HD2 ASN 67 89.151 -3.541 -14.301 490 HA PRO 68 HA PRO 68 93.535 -7.342 -9.663 491 1HB PRO 68 1HB PRO 68 94.209 -5.420 -7.839 492 2HB PRO 68 2HB PRO 68 95.386 -6.156 -8.946 493 1HG PRO 68 1HG PRO 68 94.045 -3.512 -9.097 494 2HG PRO 68 2HG PRO 68 95.687 -3.977 -9.565 495 1HD PRO 68 1HD PRO 68 93.605 -3.613 -11.329 496 2HD PRO 68 2HD PRO 68 95.042 -4.606 -11.657 497 H TYR 69 H TYR 69 91.382 -4.849 -10.421 498 HA TYR 69 HA TYR 69 89.910 -4.910 -7.856 499 1HB TYR 69 1HB TYR 69 90.321 -2.937 -9.547 500 2HB TYR 69 2HB TYR 69 88.962 -3.649 -10.419 501 HD1 TYR 69 HD1 TYR 69 90.018 -2.003 -7.283 502 HD2 TYR 69 HD2 TYR 69 86.707 -3.653 -9.466 503 HE1 TYR 69 HE1 TYR 69 88.441 -0.944 -5.690 504 HE2 TYR 69 HE2 TYR 69 85.129 -2.592 -7.873 505 HH TYR 69 HH TYR 69 84.983 -0.941 -6.256 506 H THR 70 H THR 70 90.046 -7.463 -8.971 507 HA THR 70 HA THR 70 87.342 -8.292 -9.060 508 HB THR 70 HB THR 70 87.219 -7.109 -11.165 509 HG1 THR 70 HG1 THR 70 87.649 -9.875 -11.616 510 1HG2 THR 70 1HG2 THR 70 89.782 -7.148 -11.401 511 2HG2 THR 70 2HG2 THR 70 89.563 -8.718 -12.175 512 3HG2 THR 70 3HG2 THR 70 88.839 -7.275 -12.886 513 H ASN 71 H ASN 71 90.042 -9.076 -8.078 514 HA ASN 71 HA ASN 71 90.563 -11.644 -9.481 515 1HB ASN 71 1HB ASN 71 92.367 -10.022 -8.803 516 2HB ASN 71 2HB ASN 71 91.944 -10.327 -7.119 517 1HD2 ASN 71 2HD2 ASN 71 93.604 -11.633 -9.913 518 2HD2 ASN 71 1HD2 ASN 71 94.170 -13.046 -9.160 519 H ASN 72 H ASN 72 88.956 -10.398 -6.676 520 HA ASN 72 HA ASN 72 87.909 -11.479 -4.849 521 1HB ASN 72 1HB ASN 72 87.332 -12.711 -7.310 522 2HB ASN 72 2HB ASN 72 87.651 -14.042 -6.200 523 1HD2 ASN 72 1HD2 ASN 72 85.011 -13.575 -7.174 524 2HD2 ASN 72 2HD2 ASN 72 84.041 -13.050 -5.885 525 H TYR 73 H TYR 73 89.640 -11.686 -3.355 526 HA TYR 73 HA TYR 73 91.214 -14.234 -3.506 527 1HB TYR 73 1HB TYR 73 92.839 -12.937 -2.102 528 2HB TYR 73 2HB TYR 73 92.539 -12.194 -3.672 529 HD1 TYR 73 HD1 TYR 73 91.759 -12.019 -0.051 530 HD2 TYR 73 HD2 TYR 73 91.426 -10.066 -3.863 531 HE1 TYR 73 HE1 TYR 73 91.010 -9.942 1.079 532 HE2 TYR 73 HE2 TYR 73 90.678 -7.988 -2.733 533 HH TYR 73 HH TYR 73 91.136 -7.083 -0.062 534 H SER 74 H SER 74 91.902 -14.947 -1.179 535 HA SER 74 HA SER 74 89.497 -14.766 0.607 536 1HB SER 74 1HB SER 74 91.361 -16.937 -0.253 537 2HB SER 74 2HB SER 74 90.717 -17.026 1.384 538 HG SER 74 HG SER 74 88.805 -17.453 0.596 539 H TYR 75 H TYR 75 89.896 -13.702 2.506 540 HA TYR 75 HA TYR 75 92.699 -13.733 3.575 541 1HB TYR 75 1HB TYR 75 92.484 -11.400 4.038 542 2HB TYR 75 2HB TYR 75 91.836 -11.608 2.411 543 HD1 TYR 75 HD1 TYR 75 90.989 -10.982 5.949 544 HD2 TYR 75 HD2 TYR 75 89.426 -11.435 1.972 545 HE1 TYR 75 HE1 TYR 75 88.815 -10.058 6.699 546 HE2 TYR 75 HE2 TYR 75 87.251 -10.510 2.725 547 HH TYR 75 HH TYR 75 86.005 -10.369 5.005 548 H SER 76 H SER 76 92.459 -12.706 5.981 549 HA SER 76 HA SER 76 90.071 -13.813 7.365 550 1HB SER 76 1HB SER 76 92.760 -14.954 7.253 551 2HB SER 76 2HB SER 76 92.235 -14.651 8.907 552 HG SER 76 HG SER 76 90.155 -15.660 7.915 553 H CYS 77 H CYS 77 90.933 -13.475 9.960 554 HA CYS 77 HA CYS 77 92.212 -10.822 10.222 555 1HB CYS 77 1HB CYS 77 89.677 -10.682 9.634 556 2HB CYS 77 2HB CYS 77 89.418 -11.203 11.291 557 H SER 78 H SER 78 91.815 -10.212 12.744 558 HA SER 78 HA SER 78 91.457 -12.244 14.691 559 1HB SER 78 1HB SER 78 93.238 -13.472 13.754 560 2HB SER 78 2HB SER 78 94.174 -12.020 13.407 561 HG SER 78 HG SER 78 95.049 -12.976 15.213 562 H ASN 79 H ASN 79 91.047 -10.950 16.426 563 HA ASN 79 HA ASN 79 91.127 -9.041 17.839 564 1HB ASN 79 1HB ASN 79 94.093 -9.551 17.516 565 2HB ASN 79 2HB ASN 79 93.240 -9.010 18.962 566 1HD2 ASN 79 2HD2 ASN 79 94.078 -11.830 17.037 567 2HD2 ASN 79 1HD2 ASN 79 93.409 -12.982 18.089 568 H ASN 80 H ASN 80 90.695 -7.985 15.384 569 HA ASN 80 HA ASN 80 90.916 -6.010 14.179 570 1HB ASN 80 1HB ASN 80 92.865 -5.253 16.340 571 2HB ASN 80 2HB ASN 80 91.806 -4.212 15.420 572 1HD2 ASN 80 2HD2 ASN 80 89.438 -5.729 15.609 573 2HD2 ASN 80 1HD2 ASN 80 88.971 -5.729 17.224 574 H GLU 81 H GLU 81 92.467 -8.134 13.301 575 HA GLU 81 HA GLU 81 94.721 -6.714 12.077 576 1HB GLU 81 1HB GLU 81 95.092 -9.428 13.340 577 2HB GLU 81 2HB GLU 81 96.341 -8.312 12.783 578 1HG GLU 81 1HG GLU 81 95.643 -6.693 14.515 579 2HG GLU 81 2HG GLU 81 94.444 -7.844 15.079 580 H ILE 82 H ILE 82 94.096 -6.931 10.012 581 HA ILE 82 HA ILE 82 92.545 -9.067 8.917 582 HB ILE 82 HB ILE 82 94.385 -6.959 7.767 583 1HG1 ILE 82 1HG1 ILE 82 91.412 -7.130 7.389 584 2HG1 ILE 82 2HG1 ILE 82 92.037 -6.577 8.943 585 1HG2 ILE 82 1HG2 ILE 82 92.686 -9.035 6.369 586 2HG2 ILE 82 2HG2 ILE 82 93.157 -7.525 5.588 587 3HG2 ILE 82 3HG2 ILE 82 94.392 -8.674 6.106 588 1HD1 ILE 82 1HD1 ILE 82 92.906 -5.406 6.290 589 2HD1 ILE 82 2HD1 ILE 82 91.609 -4.728 7.272 590 3HD1 ILE 82 3HD1 ILE 82 93.256 -4.778 7.900 591 H THR 83 H THR 83 93.153 -10.987 7.958 592 HA THR 83 HA THR 83 96.075 -11.665 7.974 593 HB THR 83 HB THR 83 93.552 -13.091 8.767 594 HG1 THR 83 HG1 THR 83 95.472 -13.832 10.252 595 1HG2 THR 83 1HG2 THR 83 94.600 -14.555 7.065 596 2HG2 THR 83 2HG2 THR 83 96.118 -14.488 7.960 597 3HG2 THR 83 3HG2 THR 83 94.703 -15.256 8.681 598 H CYS 84 H CYS 84 96.881 -12.710 6.113 599 HA CYS 84 HA CYS 84 94.962 -12.989 3.822 600 1HB CYS 84 1HB CYS 84 97.813 -12.007 4.045 601 2HB CYS 84 2HB CYS 84 97.106 -12.463 2.495 602 H SER 85 H SER 85 94.880 -15.035 2.956 603 HA SER 85 HA SER 85 96.151 -17.294 4.064 604 1HB SER 85 1HB SER 85 95.604 -18.133 1.588 605 2HB SER 85 2HB SER 85 94.315 -17.755 2.727 606 HG SER 85 HG SER 85 93.771 -16.524 1.061 607 H SER 86 H SER 86 98.404 -17.265 4.257 608 HA SER 86 HA SER 86 100.352 -16.131 2.652 609 1HB SER 86 1HB SER 86 101.761 -18.076 3.450 610 2HB SER 86 2HB SER 86 100.832 -17.291 4.725 611 HG SER 86 HG SER 86 99.691 -19.046 4.955 612 H GLU 87 H GLU 87 98.476 -19.044 1.971 613 HA GLU 87 HA GLU 87 99.965 -20.199 -0.122 614 1HB GLU 87 1HB GLU 87 97.086 -19.959 0.655 615 2HB GLU 87 2HB GLU 87 97.449 -20.625 -0.937 616 1HG GLU 87 1HG GLU 87 98.777 -22.385 0.004 617 2HG GLU 87 2HG GLU 87 98.755 -21.633 1.600 618 H ASN 88 H ASN 88 98.172 -17.214 -0.034 619 HA ASN 88 HA ASN 88 97.546 -16.729 -2.709 620 1HB ASN 88 1HB ASN 88 98.575 -14.978 -0.470 621 2HB ASN 88 2HB ASN 88 98.024 -14.304 -2.006 622 1HD2 ASN 88 2HD2 ASN 88 96.522 -13.523 0.145 623 2HD2 ASN 88 1HD2 ASN 88 95.045 -14.353 0.202 624 H ASN 89 H ASN 89 98.807 -16.664 -4.524 625 HA ASN 89 HA ASN 89 101.654 -16.966 -4.473 626 1HB ASN 89 1HB ASN 89 101.341 -16.333 -6.944 627 2HB ASN 89 2HB ASN 89 100.411 -17.713 -6.365 628 1HD2 ASN 89 2HD2 ASN 89 100.027 -15.143 -8.332 629 2HD2 ASN 89 1HD2 ASN 89 98.394 -14.773 -8.051 630 H ALA 90 H ALA 90 103.054 -15.295 -5.777 631 HA ALA 90 HA ALA 90 103.491 -12.990 -4.291 632 1HB ALA 90 1HB ALA 90 104.781 -14.189 -6.230 633 2HB ALA 90 2HB ALA 90 103.923 -13.048 -7.266 634 3HB ALA 90 3HB ALA 90 105.001 -12.454 -6.005 635 H CYS 91 H CYS 91 101.147 -13.462 -6.889 636 HA CYS 91 HA CYS 91 100.572 -10.609 -7.200 637 1HB CYS 91 1HB CYS 91 100.363 -12.508 -8.911 638 2HB CYS 91 2HB CYS 91 98.898 -12.981 -8.051 639 H GLU 92 H GLU 92 98.622 -13.372 -5.978 640 HA GLU 92 HA GLU 92 96.472 -11.849 -4.933 641 1HB GLU 92 1HB GLU 92 97.735 -14.476 -4.094 642 2HB GLU 92 2HB GLU 92 96.175 -13.911 -3.496 643 1HG GLU 92 1HG GLU 92 96.731 -14.085 -6.454 644 2HG GLU 92 2HG GLU 92 96.175 -15.493 -5.549 645 H ALA 93 H ALA 93 99.643 -12.605 -3.572 646 HA ALA 93 HA ALA 93 99.059 -11.690 -0.884 647 1HB ALA 93 1HB ALA 93 101.519 -12.254 -2.542 648 2HB ALA 93 2HB ALA 93 101.660 -11.625 -0.900 649 3HB ALA 93 3HB ALA 93 100.876 -13.179 -1.184 650 H PHE 94 H PHE 94 100.412 -10.159 -3.800 651 HA PHE 94 HA PHE 94 101.173 -7.672 -2.574 652 1HB PHE 94 1HB PHE 94 101.808 -8.676 -4.844 653 2HB PHE 94 2HB PHE 94 100.232 -8.130 -5.418 654 HD1 PHE 94 HD1 PHE 94 99.649 -5.600 -4.847 655 HD2 PHE 94 HD2 PHE 94 103.624 -7.221 -5.031 656 HE1 PHE 94 HE1 PHE 94 100.563 -3.321 -5.196 657 HE2 PHE 94 HE2 PHE 94 104.537 -4.942 -5.379 658 HZ PHE 94 HZ PHE 94 103.007 -2.992 -5.461 659 H ILE 95 H ILE 95 98.148 -8.798 -4.079 660 HA ILE 95 HA ILE 95 96.801 -6.235 -3.929 661 HB ILE 95 HB ILE 95 95.656 -9.044 -4.012 662 1HG1 ILE 95 1HG1 ILE 95 97.369 -8.761 -5.760 663 2HG1 ILE 95 2HG1 ILE 95 95.759 -8.782 -6.479 664 1HG2 ILE 95 1HG2 ILE 95 94.365 -6.630 -3.785 665 2HG2 ILE 95 2HG2 ILE 95 94.414 -6.848 -5.535 666 3HG2 ILE 95 3HG2 ILE 95 93.663 -8.074 -4.513 667 1HD1 ILE 95 1HD1 ILE 95 97.269 -6.253 -5.766 668 2HD1 ILE 95 2HD1 ILE 95 97.221 -6.956 -7.382 669 3HD1 ILE 95 3HD1 ILE 95 95.739 -6.358 -6.636 670 H CYS 96 H CYS 96 96.856 -9.147 -1.871 671 HA CYS 96 HA CYS 96 94.926 -8.341 0.058 672 1HB CYS 96 1HB CYS 96 96.486 -10.510 -0.414 673 2HB CYS 96 2HB CYS 96 97.363 -9.804 0.943 674 H ASN 97 H ASN 97 98.236 -7.342 -0.481 675 HA ASN 97 HA ASN 97 98.602 -6.117 2.150 676 1HB ASN 97 1HB ASN 97 100.061 -6.016 -0.506 677 2HB ASN 97 2HB ASN 97 100.654 -5.221 0.951 678 1HD2 ASN 97 2HD2 ASN 97 102.380 -7.064 0.085 679 2HD2 ASN 97 1HD2 ASN 97 102.278 -8.506 0.966 680 H CYS 98 H CYS 98 97.718 -5.016 -1.117 681 HA CYS 98 HA CYS 98 97.784 -2.196 -0.595 682 1HB CYS 98 1HB CYS 98 96.032 -3.795 -2.491 683 2HB CYS 98 2HB CYS 98 96.469 -2.095 -2.658 684 H ASP 99 H ASP 99 95.123 -4.577 -0.445 685 HA ASP 99 HA ASP 99 93.117 -2.681 0.410 686 1HB ASP 99 1HB ASP 99 93.348 -5.697 0.699 687 2HB ASP 99 2HB ASP 99 91.860 -4.770 0.893 688 H ARG 100 H ARG 100 95.243 -4.958 2.145 689 HA ARG 100 HA ARG 100 94.168 -4.387 4.772 690 1HB ARG 100 1HB ARG 100 95.538 -6.390 3.851 691 2HB ARG 100 2HB ARG 100 96.951 -5.372 4.136 692 1HG ARG 100 1HG ARG 100 95.673 -5.052 6.500 693 2HG ARG 100 2HG ARG 100 95.140 -6.681 6.088 694 1HD ARG 100 1HD ARG 100 97.919 -6.550 5.490 695 2HD ARG 100 2HD ARG 100 97.691 -5.881 7.114 696 HE ARG 100 HE ARG 100 96.059 -8.163 6.886 697 1HH1 ARG 100 1HH1 ARG 100 98.727 -7.187 8.479 698 2HH1 ARG 100 2HH1 ARG 100 99.556 -8.708 8.478 699 1HH2 ARG 100 1HH2 ARG 100 97.391 -10.187 6.207 700 2HH2 ARG 100 2HH2 ARG 100 98.799 -10.407 7.192 701 H ASN 101 H ASN 101 97.078 -3.245 3.014 702 HA ASN 101 HA ASN 101 98.170 -1.610 5.054 703 1HB ASN 101 1HB ASN 101 98.170 -1.640 2.048 704 2HB ASN 101 2HB ASN 101 98.937 -0.297 2.892 705 1HD2 ASN 101 2HD2 ASN 101 100.804 -1.590 1.599 706 2HD2 ASN 101 1HD2 ASN 101 101.643 -2.712 2.551 707 H ALA 102 H ALA 102 95.529 -1.017 2.781 708 HA ALA 102 HA ALA 102 95.246 1.813 3.415 709 1HB ALA 102 1HB ALA 102 94.528 0.749 1.292 710 2HB ALA 102 2HB ALA 102 93.356 -0.223 2.182 711 3HB ALA 102 3HB ALA 102 93.165 1.528 2.097 712 H ALA 103 H ALA 103 93.581 -1.186 4.402 713 HA ALA 103 HA ALA 103 91.636 0.042 6.117 714 1HB ALA 103 1HB ALA 103 92.730 -2.612 5.469 715 2HB ALA 103 2HB ALA 103 92.155 -2.484 7.132 716 3HB ALA 103 3HB ALA 103 91.062 -2.140 5.791 717 H ILE 104 H ILE 104 94.922 -1.199 6.692 718 HA ILE 104 HA ILE 104 94.935 -0.845 9.546 719 HB ILE 104 HB ILE 104 97.126 -0.863 7.443 720 1HG1 ILE 104 1HG1 ILE 104 96.258 -3.095 9.292 721 2HG1 ILE 104 2HG1 ILE 104 95.549 -2.876 7.692 722 1HG2 ILE 104 1HG2 ILE 104 97.343 -0.122 10.121 723 2HG2 ILE 104 2HG2 ILE 104 97.811 -1.821 10.115 724 3HG2 ILE 104 3HG2 ILE 104 98.662 -0.668 9.087 725 1HD1 ILE 104 1HD1 ILE 104 98.434 -2.713 7.539 726 2HD1 ILE 104 2HD1 ILE 104 97.946 -4.223 8.308 727 3HD1 ILE 104 3HD1 ILE 104 97.340 -3.815 6.703 728 H CYS 105 H CYS 105 95.826 1.277 6.829 729 HA CYS 105 HA CYS 105 96.977 3.401 8.377 730 1HB CYS 105 1HB CYS 105 96.925 2.842 5.815 731 2HB CYS 105 2HB CYS 105 95.421 3.758 5.821 732 H PHE 106 H PHE 106 93.648 2.814 7.209 733 HA PHE 106 HA PHE 106 92.413 5.172 8.097 734 1HB PHE 106 1HB PHE 106 91.403 2.312 8.029 735 2HB PHE 106 2HB PHE 106 90.375 3.741 8.098 736 HD1 PHE 106 HD1 PHE 106 92.468 5.331 6.257 737 HD2 PHE 106 HD2 PHE 106 90.310 1.634 5.903 738 HE1 PHE 106 HE1 PHE 106 92.553 5.515 3.786 739 HE2 PHE 106 HE2 PHE 106 90.396 1.820 3.432 740 HZ PHE 106 HZ PHE 106 91.520 3.761 2.374 741 H SER 107 H SER 107 93.072 2.141 9.828 742 HA SER 107 HA SER 107 91.853 3.095 12.319 743 1HB SER 107 1HB SER 107 92.022 0.886 12.854 744 2HB SER 107 2HB SER 107 92.461 0.665 11.163 745 HG SER 107 HG SER 107 94.665 1.029 11.849 746 H LYS 108 H LYS 108 94.788 3.687 10.759 747 HA LYS 108 HA LYS 108 96.325 4.019 13.292 748 1HB LYS 108 1HB LYS 108 96.927 3.915 10.340 749 2HB LYS 108 2HB LYS 108 98.116 4.578 11.463 750 1HG LYS 108 1HG LYS 108 97.112 2.150 12.583 751 2HG LYS 108 2HG LYS 108 97.559 1.831 10.907 752 1HD LYS 108 1HD LYS 108 99.722 3.182 11.499 753 2HD LYS 108 2HD LYS 108 99.285 2.807 13.167 754 1HE LYS 108 1HE LYS 108 99.780 0.812 10.929 755 2HE LYS 108 2HE LYS 108 100.747 1.032 12.402 756 1HZ LYS 108 1HZ LYS 108 98.467 0.710 13.564 757 2HZ LYS 108 2HZ LYS 108 98.031 -0.065 12.115 758 3HZ LYS 108 3HZ LYS 108 99.331 -0.653 13.031 759 H VAL 109 H VAL 109 94.180 5.803 11.520 760 HA VAL 109 HA VAL 109 95.363 8.363 12.475 761 HB VAL 109 HB VAL 109 95.123 9.346 10.261 762 1HG1 VAL 109 1HG1 VAL 109 97.145 7.866 10.845 763 2HG1 VAL 109 2HG1 VAL 109 96.394 6.639 9.825 764 3HG1 VAL 109 3HG1 VAL 109 96.869 8.190 9.133 765 1HG2 VAL 109 1HG2 VAL 109 93.372 7.072 9.891 766 2HG2 VAL 109 2HG2 VAL 109 93.531 8.518 8.893 767 3HG2 VAL 109 3HG2 VAL 109 94.574 7.127 8.601 768 HA PRO 110 HA PRO 110 91.150 9.138 13.468 769 1HB PRO 110 1HB PRO 110 91.173 11.872 13.545 770 2HB PRO 110 2HB PRO 110 91.922 10.864 14.800 771 1HG PRO 110 1HG PRO 110 93.188 12.323 12.542 772 2HG PRO 110 2HG PRO 110 93.771 12.073 14.194 773 1HD PRO 110 1HD PRO 110 94.660 10.659 12.021 774 2HD PRO 110 2HD PRO 110 94.706 10.051 13.692 775 H TYR 111 H TYR 111 89.171 10.180 12.567 776 HA TYR 111 HA TYR 111 89.420 10.632 9.614 777 1HB TYR 111 1HB TYR 111 88.130 8.682 10.152 778 2HB TYR 111 2HB TYR 111 87.247 9.537 11.416 779 HD1 TYR 111 HD1 TYR 111 88.046 10.088 7.785 780 HD2 TYR 111 HD2 TYR 111 85.059 10.102 10.871 781 HE1 TYR 111 HE1 TYR 111 86.337 10.774 6.126 782 HE2 TYR 111 HE2 TYR 111 83.349 10.790 9.212 783 HH TYR 111 HH TYR 111 84.048 10.872 5.780 784 H ASN 112 H ASN 112 89.691 12.921 9.631 785 HA ASN 112 HA ASN 112 88.205 14.742 11.272 786 1HB ASN 112 1HB ASN 112 89.441 15.128 8.526 787 2HB ASN 112 2HB ASN 112 89.105 16.397 9.706 788 1HD2 ASN 112 2HD2 ASN 112 91.255 13.683 8.961 789 2HD2 ASN 112 1HD2 ASN 112 92.399 14.030 10.165 790 H LYS 113 H LYS 113 85.970 13.966 11.085 791 HA LYS 113 HA LYS 113 84.464 13.604 8.740 792 1HB LYS 113 1HB LYS 113 82.575 14.445 10.290 793 2HB LYS 113 2HB LYS 113 83.531 13.080 10.867 794 1HG LYS 113 1HG LYS 113 84.653 14.353 12.450 795 2HG LYS 113 2HG LYS 113 84.436 15.853 11.546 796 1HD LYS 113 1HD LYS 113 82.000 15.779 12.070 797 2HD LYS 113 2HD LYS 113 82.285 14.345 13.058 798 1HE LYS 113 1HE LYS 113 82.690 15.765 14.785 799 2HE LYS 113 2HE LYS 113 84.190 16.212 13.948 800 1HZ LYS 113 1HZ LYS 113 82.417 17.574 12.522 801 2HZ LYS 113 2HZ LYS 113 81.631 17.599 14.025 802 3HZ LYS 113 3HZ LYS 113 83.202 18.228 13.878 803 H GLU 114 H GLU 114 85.662 16.581 10.144 804 HA GLU 114 HA GLU 114 83.883 18.404 8.847 805 1HB GLU 114 1HB GLU 114 85.136 19.146 10.722 806 2HB GLU 114 2HB GLU 114 86.647 18.537 10.047 807 1HG GLU 114 1HG GLU 114 86.678 20.247 8.357 808 2HG GLU 114 2HG GLU 114 85.036 20.752 8.759 809 H HIS 115 H HIS 115 86.517 16.500 7.718 810 HA HIS 115 HA HIS 115 87.048 18.234 5.371 811 1HB HIS 115 1HB HIS 115 88.181 15.612 6.394 812 2HB HIS 115 2HB HIS 115 88.793 16.470 4.981 813 HD1 HIS 115 HD1 HIS 115 87.958 19.211 6.865 814 HD2 HIS 115 HD2 HIS 115 90.909 16.319 7.418 815 HE1 HIS 115 HE1 HIS 115 89.699 20.246 8.385 816 H LYS 116 H LYS 116 84.628 16.189 6.100 817 HA LYS 116 HA LYS 116 84.598 14.317 3.916 818 1HB LYS 116 1HB LYS 116 83.333 14.600 6.248 819 2HB LYS 116 2HB LYS 116 82.135 15.391 5.226 820 1HG LYS 116 1HG LYS 116 82.189 13.369 3.730 821 2HG LYS 116 2HG LYS 116 83.220 12.581 4.926 822 1HD LYS 116 1HD LYS 116 81.314 13.293 6.603 823 2HD LYS 116 2HD LYS 116 80.330 13.365 5.140 824 1HE LYS 116 1HE LYS 116 80.157 11.108 5.106 825 2HE LYS 116 2HE LYS 116 81.924 10.943 5.143 826 1HZ LYS 116 1HZ LYS 116 80.432 11.735 7.563 827 2HZ LYS 116 2HZ LYS 116 80.587 10.095 7.152 828 3HZ LYS 116 3HZ LYS 116 81.973 11.028 7.444 829 H ASN 117 H ASN 117 83.252 14.437 2.006 830 HA ASN 117 HA ASN 117 82.527 15.570 0.055 831 1HB ASN 117 1HB ASN 117 81.138 16.690 2.459 832 2HB ASN 117 2HB ASN 117 80.847 17.463 0.901 833 1HD2 ASN 117 2HD2 ASN 117 81.201 14.036 1.996 834 2HD2 ASN 117 1HD2 ASN 117 79.808 13.487 1.197 835 H LEU 118 H LEU 118 85.010 16.398 0.199 836 HA LEU 118 HA LEU 118 85.335 19.202 0.777 837 1HB LEU 118 1HB LEU 118 87.179 17.856 1.231 838 2HB LEU 118 2HB LEU 118 86.871 16.831 -0.152 839 HG LEU 118 HG LEU 118 87.508 18.799 -1.598 840 1HD1 LEU 118 1HD1 LEU 118 87.423 20.253 0.672 841 2HD1 LEU 118 2HD1 LEU 118 89.126 19.796 0.700 842 3HD1 LEU 118 3HD1 LEU 118 88.475 20.687 -0.676 843 1HD2 LEU 118 1HD2 LEU 118 89.026 16.799 -0.331 844 2HD2 LEU 118 2HD2 LEU 118 89.438 17.668 -1.810 845 3HD2 LEU 118 3HD2 LEU 118 90.002 18.266 -0.249 846 H ASP 119 H ASP 119 86.375 20.529 -1.069 847 HA ASP 119 HA ASP 119 84.646 20.320 -3.476 848 1HB ASP 119 1HB ASP 119 84.905 22.415 -2.088 849 2HB ASP 119 2HB ASP 119 86.588 22.484 -2.614 850 H LYS 120 H LYS 120 85.501 19.279 -5.234 851 HA LYS 120 HA LYS 120 88.103 18.322 -5.553 852 1HB LYS 120 1HB LYS 120 85.913 19.159 -7.450 853 2HB LYS 120 2HB LYS 120 87.422 18.481 -8.061 854 1HG LYS 120 1HG LYS 120 86.808 16.391 -7.482 855 2HG LYS 120 2HG LYS 120 86.394 16.907 -5.846 856 1HD LYS 120 1HD LYS 120 84.252 16.467 -6.454 857 2HD LYS 120 2HD LYS 120 84.345 17.998 -7.326 858 1HE LYS 120 1HE LYS 120 85.453 16.430 -9.201 859 2HE LYS 120 2HE LYS 120 84.452 15.209 -8.390 860 1HZ LYS 120 1HZ LYS 120 82.567 16.737 -8.528 861 2HZ LYS 120 2HZ LYS 120 83.526 17.862 -9.366 862 3HZ LYS 120 3HZ LYS 120 83.160 16.360 -10.070 863 H LYS 121 H LYS 121 86.925 21.564 -5.914 864 HA LYS 121 HA LYS 121 88.867 22.656 -7.695 865 1HB LYS 121 1HB LYS 121 86.961 23.561 -5.607 866 2HB LYS 121 2HB LYS 121 88.236 24.697 -6.044 867 1HG LYS 121 1HG LYS 121 86.398 23.325 -8.021 868 2HG LYS 121 2HG LYS 121 86.195 24.979 -7.445 869 1HD LYS 121 1HD LYS 121 88.912 24.521 -8.364 870 2HD LYS 121 2HD LYS 121 87.741 24.157 -9.632 871 1HE LYS 121 1HE LYS 121 86.659 26.457 -8.766 872 2HE LYS 121 2HE LYS 121 88.349 26.769 -8.321 873 1HZ LYS 121 1HZ LYS 121 88.709 25.665 -10.687 874 2HZ LYS 121 2HZ LYS 121 87.176 26.340 -10.959 875 3HZ LYS 121 3HZ LYS 121 88.472 27.337 -10.499 876 H ASN 122 H ASN 122 89.159 21.495 -4.518 877 HA ASN 122 HA ASN 122 91.608 23.078 -3.911 878 1HB ASN 122 1HB ASN 122 89.654 21.313 -2.497 879 2HB ASN 122 2HB ASN 122 91.295 21.370 -1.862 880 1HD2 ASN 122 2HD2 ASN 122 88.303 22.897 -1.651 881 2HD2 ASN 122 1HD2 ASN 122 88.814 24.397 -1.043 882 H CYS 123 H CYS 123 90.614 20.288 -5.431 883 HA CYS 123 HA CYS 123 93.000 18.657 -4.821 884 1HB CYS 123 1HB CYS 123 90.286 18.398 -6.007 885 2HB CYS 123 2HB CYS 123 91.502 17.276 -6.583 Start of MODEL 7 1 1H ALA 1 1H ALA 1 85.117 -6.487 -7.300 2 2H ALA 1 2H ALA 1 84.252 -7.913 -7.609 3 3H ALA 1 3H ALA 1 83.437 -6.530 -7.051 4 HA ALA 1 HA ALA 1 83.599 -7.759 -5.112 5 1HB ALA 1 1HB ALA 1 85.296 -9.201 -6.675 6 2HB ALA 1 2HB ALA 1 86.442 -8.504 -5.529 7 3HB ALA 1 3HB ALA 1 85.099 -9.487 -4.946 8 H LEU 2 H LEU 2 83.727 -5.182 -4.934 9 HA LEU 2 HA LEU 2 86.370 -4.328 -3.852 10 1HB LEU 2 1HB LEU 2 83.863 -2.967 -4.836 11 2HB LEU 2 2HB LEU 2 85.076 -2.073 -3.917 12 HG LEU 2 HG LEU 2 86.698 -3.297 -5.685 13 1HD1 LEU 2 1HD1 LEU 2 84.021 -3.668 -6.711 14 2HD1 LEU 2 2HD1 LEU 2 84.954 -2.649 -7.808 15 3HD1 LEU 2 3HD1 LEU 2 85.549 -4.250 -7.371 16 1HD2 LEU 2 1HD2 LEU 2 86.489 -0.851 -5.220 17 2HD2 LEU 2 2HD2 LEU 2 86.697 -1.199 -6.936 18 3HD2 LEU 2 3HD2 LEU 2 85.100 -0.793 -6.305 19 H TRP 3 H TRP 3 83.210 -5.290 -2.843 20 HA TRP 3 HA TRP 3 82.930 -3.836 -0.405 21 1HB TRP 3 1HB TRP 3 81.332 -5.579 0.124 22 2HB TRP 3 2HB TRP 3 81.248 -5.295 -1.615 23 HD1 TRP 3 HD1 TRP 3 82.216 -7.149 -3.228 24 HE1 TRP 3 HE1 TRP 3 82.803 -9.633 -2.861 25 HE3 TRP 3 HE3 TRP 3 82.259 -7.302 1.877 26 HZ2 TRP 3 HZ2 TRP 3 83.236 -11.443 -0.692 27 HZ3 TRP 3 HZ3 TRP 3 82.763 -9.418 3.066 28 HH2 TRP 3 HH2 TRP 3 83.251 -11.486 1.787 29 H GLN 4 H GLN 4 85.101 -6.371 -1.328 30 HA GLN 4 HA GLN 4 85.642 -7.530 1.246 31 1HB GLN 4 1HB GLN 4 87.373 -7.174 -1.227 32 2HB GLN 4 2HB GLN 4 87.679 -8.325 0.074 33 1HG GLN 4 1HG GLN 4 85.683 -9.554 -0.418 34 2HG GLN 4 2HG GLN 4 85.100 -8.295 -1.507 35 1HE2 GLN 4 2HE2 GLN 4 87.261 -7.766 -3.138 36 2HE2 GLN 4 1HE2 GLN 4 87.750 -9.165 -3.964 37 H PHE 5 H PHE 5 87.302 -4.946 -0.604 38 HA PHE 5 HA PHE 5 89.346 -4.287 1.198 39 1HB PHE 5 1HB PHE 5 89.179 -3.251 -0.966 40 2HB PHE 5 2HB PHE 5 87.575 -2.612 -0.604 41 HD1 PHE 5 HD1 PHE 5 90.320 -2.638 1.861 42 HD2 PHE 5 HD2 PHE 5 88.148 -0.278 -0.999 43 HE1 PHE 5 HE1 PHE 5 91.343 -0.577 2.784 44 HE2 PHE 5 HE2 PHE 5 89.174 1.783 -0.076 45 HZ PHE 5 HZ PHE 5 90.771 1.633 1.817 46 H ASN 6 H ASN 6 85.955 -3.168 1.197 47 HA ASN 6 HA ASN 6 86.136 -1.426 3.459 48 1HB ASN 6 1HB ASN 6 84.070 -2.842 1.864 49 2HB ASN 6 2HB ASN 6 83.572 -2.348 3.483 50 1HD2 ASN 6 2HD2 ASN 6 82.448 -1.109 1.164 51 2HD2 ASN 6 1HD2 ASN 6 82.976 0.504 1.106 52 H GLY 7 H GLY 7 85.729 -4.922 3.176 53 1HA GLY 7 1HA GLY 7 84.891 -5.433 5.868 54 2HA GLY 7 2HA GLY 7 85.677 -6.606 4.810 55 H MET 8 H MET 8 88.110 -5.233 4.357 56 HA MET 8 HA MET 8 89.669 -6.024 6.599 57 1HB MET 8 1HB MET 8 90.144 -4.080 4.319 58 2HB MET 8 2HB MET 8 91.418 -4.637 5.403 59 1HG MET 8 1HG MET 8 90.281 -7.012 4.695 60 2HG MET 8 2HG MET 8 90.040 -6.078 3.219 61 1HE MET 8 1HE MET 8 91.951 -8.636 4.430 62 2HE MET 8 2HE MET 8 91.682 -8.460 2.691 63 3HE MET 8 3HE MET 8 93.322 -8.562 3.327 64 H ILE 9 H ILE 9 88.418 -2.814 5.655 65 HA ILE 9 HA ILE 9 89.659 -1.370 7.828 66 HB ILE 9 HB ILE 9 87.156 -0.784 6.209 67 1HG1 ILE 9 1HG1 ILE 9 89.971 0.157 5.629 68 2HG1 ILE 9 2HG1 ILE 9 89.330 -1.335 4.938 69 1HG2 ILE 9 1HG2 ILE 9 88.558 0.642 8.296 70 2HG2 ILE 9 2HG2 ILE 9 88.643 1.549 6.786 71 3HG2 ILE 9 3HG2 ILE 9 87.075 1.092 7.452 72 1HD1 ILE 9 1HD1 ILE 9 87.396 -0.013 4.037 73 2HD1 ILE 9 2HD1 ILE 9 88.198 1.454 4.596 74 3HD1 ILE 9 3HD1 ILE 9 88.949 0.458 3.350 75 H LYS 10 H LYS 10 86.853 -3.403 7.590 76 HA LYS 10 HA LYS 10 85.429 -2.309 9.889 77 1HB LYS 10 1HB LYS 10 85.290 -4.793 8.175 78 2HB LYS 10 2HB LYS 10 84.232 -4.588 9.570 79 1HG LYS 10 1HG LYS 10 84.246 -2.162 8.017 80 2HG LYS 10 2HG LYS 10 83.870 -3.528 6.967 81 1HD LYS 10 1HD LYS 10 82.498 -3.692 9.545 82 2HD LYS 10 2HD LYS 10 82.071 -2.237 8.643 83 1HE LYS 10 1HE LYS 10 81.127 -3.438 6.886 84 2HE LYS 10 2HE LYS 10 82.142 -4.864 7.184 85 1HZ LYS 10 1HZ LYS 10 80.974 -5.072 9.364 86 2HZ LYS 10 2HZ LYS 10 79.886 -3.880 8.845 87 3HZ LYS 10 3HZ LYS 10 79.985 -5.360 8.014 88 H CYS 11 H CYS 11 87.646 -5.041 9.330 89 HA CYS 11 HA CYS 11 87.444 -6.248 11.890 90 1HB CYS 11 1HB CYS 11 88.461 -7.166 9.781 91 2HB CYS 11 2HB CYS 11 89.827 -6.081 10.026 92 H LYS 12 H LYS 12 89.777 -3.877 10.611 93 HA LYS 12 HA LYS 12 91.239 -3.532 13.069 94 1HB LYS 12 1HB LYS 12 90.850 -1.956 10.519 95 2HB LYS 12 2HB LYS 12 91.905 -1.372 11.808 96 1HG LYS 12 1HG LYS 12 92.558 -4.095 11.445 97 2HG LYS 12 2HG LYS 12 92.430 -3.405 9.826 98 1HD LYS 12 1HD LYS 12 94.555 -2.692 10.192 99 2HD LYS 12 2HD LYS 12 93.790 -1.429 11.156 100 1HE LYS 12 1HE LYS 12 95.202 -2.260 12.785 101 2HE LYS 12 2HE LYS 12 93.884 -3.429 12.998 102 1HZ LYS 12 1HZ LYS 12 95.002 -4.680 11.095 103 2HZ LYS 12 2HZ LYS 12 96.369 -3.727 11.424 104 3HZ LYS 12 3HZ LYS 12 95.748 -4.757 12.620 105 H ILE 13 H ILE 13 88.435 -1.875 11.653 106 HA ILE 13 HA ILE 13 88.066 -0.444 14.265 107 HB ILE 13 HB ILE 13 87.549 0.523 11.431 108 1HG1 ILE 13 1HG1 ILE 13 89.493 1.699 13.415 109 2HG1 ILE 13 2HG1 ILE 13 89.972 0.345 12.390 110 1HG2 ILE 13 1HG2 ILE 13 87.237 1.911 14.111 111 2HG2 ILE 13 2HG2 ILE 13 87.046 2.684 12.537 112 3HG2 ILE 13 3HG2 ILE 13 85.923 1.422 13.042 113 1HD1 ILE 13 1HD1 ILE 13 88.923 1.865 10.479 114 2HD1 ILE 13 2HD1 ILE 13 89.290 3.156 11.622 115 3HD1 ILE 13 3HD1 ILE 13 90.581 2.114 11.024 116 HA PRO 14 HA PRO 14 84.344 -2.977 13.293 117 1HB PRO 14 1HB PRO 14 83.951 -3.823 15.865 118 2HB PRO 14 2HB PRO 14 85.044 -4.647 14.735 119 1HG PRO 14 1HG PRO 14 85.679 -2.755 16.940 120 2HG PRO 14 2HG PRO 14 86.551 -4.200 16.405 121 1HD PRO 14 1HD PRO 14 87.307 -1.645 15.781 122 2HD PRO 14 2HD PRO 14 87.695 -3.065 14.786 123 H SER 15 H SER 15 84.980 -0.771 16.012 124 HA SER 15 HA SER 15 82.277 -0.172 16.704 125 1HB SER 15 1HB SER 15 83.315 1.758 17.804 126 2HB SER 15 2HB SER 15 84.347 0.345 18.002 127 HG SER 15 HG SER 15 85.832 1.443 17.022 128 H SER 16 H SER 16 84.372 1.051 14.138 129 HA SER 16 HA SER 16 82.130 2.835 13.236 130 1HB SER 16 1HB SER 16 84.881 3.314 13.834 131 2HB SER 16 2HB SER 16 84.670 3.525 12.098 132 HG SER 16 HG SER 16 82.916 4.648 14.018 133 H GLU 17 H GLU 17 81.357 2.441 11.183 134 HA GLU 17 HA GLU 17 82.631 0.255 9.617 135 1HB GLU 17 1HB GLU 17 79.946 1.596 9.789 136 2HB GLU 17 2HB GLU 17 80.362 0.688 8.335 137 1HG GLU 17 1HG GLU 17 80.764 -1.321 9.630 138 2HG GLU 17 2HG GLU 17 80.565 -0.436 11.142 139 HA PRO 18 HA PRO 18 84.267 3.084 6.668 140 1HB PRO 18 1HB PRO 18 84.341 1.445 4.474 141 2HB PRO 18 2HB PRO 18 85.477 1.297 5.831 142 1HG PRO 18 1HG PRO 18 83.040 -0.301 5.223 143 2HG PRO 18 2HG PRO 18 84.607 -0.829 5.857 144 1HD PRO 18 1HD PRO 18 82.400 -0.485 7.416 145 2HD PRO 18 2HD PRO 18 84.062 -0.287 8.016 146 H LEU 19 H LEU 19 81.352 1.233 5.860 147 HA LEU 19 HA LEU 19 80.565 2.995 3.663 148 1HB LEU 19 1HB LEU 19 79.794 0.499 4.908 149 2HB LEU 19 2HB LEU 19 78.372 1.512 4.654 150 HG LEU 19 HG LEU 19 79.068 1.847 2.289 151 1HD1 LEU 19 1HD1 LEU 19 81.474 0.597 3.307 152 2HD1 LEU 19 2HD1 LEU 19 80.850 -0.303 1.924 153 3HD1 LEU 19 3HD1 LEU 19 81.216 1.415 1.767 154 1HD2 LEU 19 1HD2 LEU 19 77.553 -0.053 3.086 155 2HD2 LEU 19 2HD2 LEU 19 78.335 -0.302 1.524 156 3HD2 LEU 19 3HD2 LEU 19 78.965 -1.104 2.963 157 H LEU 20 H LEU 20 80.322 3.095 7.098 158 HA LEU 20 HA LEU 20 78.204 5.214 6.905 159 1HB LEU 20 1HB LEU 20 78.842 3.568 9.355 160 2HB LEU 20 2HB LEU 20 77.345 4.411 8.960 161 HG LEU 20 HG LEU 20 78.431 1.966 7.530 162 1HD1 LEU 20 1HD1 LEU 20 76.217 2.412 9.537 163 2HD1 LEU 20 2HD1 LEU 20 76.229 1.012 8.464 164 3HD1 LEU 20 3HD1 LEU 20 77.544 1.254 9.615 165 1HD2 LEU 20 1HD2 LEU 20 76.235 3.902 6.955 166 2HD2 LEU 20 2HD2 LEU 20 77.223 2.959 5.838 167 3HD2 LEU 20 3HD2 LEU 20 75.882 2.193 6.692 168 H ASP 21 H ASP 21 81.441 4.867 7.237 169 HA ASP 21 HA ASP 21 81.644 7.310 8.945 170 1HB ASP 21 1HB ASP 21 82.055 4.960 10.060 171 2HB ASP 21 2HB ASP 21 83.602 5.044 9.216 172 H PHE 22 H PHE 22 83.550 5.021 6.941 173 HA PHE 22 HA PHE 22 85.214 7.307 5.993 174 1HB PHE 22 1HB PHE 22 85.447 4.289 5.788 175 2HB PHE 22 2HB PHE 22 86.628 5.417 5.122 176 HD1 PHE 22 HD1 PHE 22 87.258 7.383 6.930 177 HD2 PHE 22 HD2 PHE 22 85.995 3.383 7.855 178 HE1 PHE 22 HE1 PHE 22 88.354 7.550 9.148 179 HE2 PHE 22 HE2 PHE 22 87.089 3.550 10.074 180 HZ PHE 22 HZ PHE 22 88.269 5.634 10.721 181 H ASN 23 H ASN 23 82.684 7.487 4.945 182 HA ASN 23 HA ASN 23 82.631 6.094 2.326 183 1HB ASN 23 1HB ASN 23 80.704 6.576 4.076 184 2HB ASN 23 2HB ASN 23 80.641 8.138 3.257 185 1HD2 ASN 23 1HD2 ASN 23 80.968 7.625 0.620 186 2HD2 ASN 23 2HD2 ASN 23 79.830 6.506 0.045 187 H ASN 24 H ASN 24 83.631 7.072 0.618 188 HA ASN 24 HA ASN 24 84.666 8.787 -0.657 189 1HB ASN 24 1HB ASN 24 82.143 8.824 -1.031 190 2HB ASN 24 2HB ASN 24 82.084 10.185 0.090 191 1HD2 ASN 24 2HD2 ASN 24 81.642 11.896 -1.383 192 2HD2 ASN 24 1HD2 ASN 24 82.666 12.307 -2.672 193 H TYR 25 H TYR 25 86.377 9.400 0.814 194 HA TYR 25 HA TYR 25 85.848 11.964 2.283 195 1HB TYR 25 1HB TYR 25 86.103 10.157 3.871 196 2HB TYR 25 2HB TYR 25 87.514 9.535 3.013 197 HD1 TYR 25 HD1 TYR 25 89.547 11.158 2.775 198 HD2 TYR 25 HD2 TYR 25 86.388 11.669 5.643 199 HE1 TYR 25 HE1 TYR 25 91.020 12.614 4.139 200 HE2 TYR 25 HE2 TYR 25 87.862 13.124 7.005 201 HH TYR 25 HH TYR 25 89.837 14.528 6.711 202 H GLY 26 H GLY 26 87.654 13.470 2.233 203 1HA GLY 26 1HA GLY 26 89.338 14.587 0.999 204 2HA GLY 26 2HA GLY 26 90.218 13.082 1.251 205 H CYS 27 H CYS 27 91.137 13.616 -0.904 206 HA CYS 27 HA CYS 27 89.296 13.221 -3.204 207 1HB CYS 27 1HB CYS 27 91.751 14.609 -2.620 208 2HB CYS 27 2HB CYS 27 91.998 13.538 -4.000 209 H TYR 28 H TYR 28 91.519 11.380 -1.288 210 HA TYR 28 HA TYR 28 91.919 9.400 -3.481 211 1HB TYR 28 1HB TYR 28 93.140 9.800 -0.735 212 2HB TYR 28 2HB TYR 28 93.584 8.486 -1.828 213 HD1 TYR 28 HD1 TYR 28 94.265 9.179 -4.256 214 HD2 TYR 28 HD2 TYR 28 94.241 11.863 -0.903 215 HE1 TYR 28 HE1 TYR 28 95.811 10.698 -5.462 216 HE2 TYR 28 HE2 TYR 28 95.786 13.382 -2.107 217 HH TYR 28 HH TYR 28 97.626 12.906 -4.131 218 H CYS 29 H CYS 29 90.507 9.714 -0.229 219 HA CYS 29 HA CYS 29 89.809 6.885 -0.037 220 1HB CYS 29 1HB CYS 29 88.936 9.370 1.475 221 2HB CYS 29 2HB CYS 29 88.568 7.720 1.972 222 H GLY 30 H GLY 30 88.659 6.692 -2.135 223 1HA GLY 30 1HA GLY 30 85.851 6.713 -1.916 224 2HA GLY 30 2HA GLY 30 86.298 8.207 -2.740 225 H LEU 31 H LEU 31 85.399 7.540 -4.751 226 HA LEU 31 HA LEU 31 85.989 5.024 -6.027 227 1HB LEU 31 1HB LEU 31 84.846 7.694 -6.733 228 2HB LEU 31 2HB LEU 31 85.321 6.636 -8.061 229 HG LEU 31 HG LEU 31 83.991 4.802 -6.795 230 1HD1 LEU 31 1HD1 LEU 31 83.326 7.287 -5.295 231 2HD1 LEU 31 2HD1 LEU 31 81.990 6.190 -5.647 232 3HD1 LEU 31 3HD1 LEU 31 83.384 5.617 -4.734 233 1HD2 LEU 31 1HD2 LEU 31 83.379 6.218 -8.919 234 2HD2 LEU 31 2HD2 LEU 31 82.114 5.290 -8.112 235 3HD2 LEU 31 3HD2 LEU 31 82.248 7.025 -7.833 236 H GLY 32 H GLY 32 87.451 8.265 -6.261 237 1HA GLY 32 1HA GLY 32 90.085 7.561 -6.668 238 2HA GLY 32 2HA GLY 32 89.382 7.437 -8.283 239 H GLY 33 H GLY 33 91.349 9.420 -7.132 240 1HA GLY 33 1HA GLY 33 90.125 11.785 -8.330 241 2HA GLY 33 2HA GLY 33 90.373 11.938 -6.590 242 H SER 34 H SER 34 91.971 13.569 -6.851 243 HA SER 34 HA SER 34 94.686 12.652 -7.064 244 1HB SER 34 1HB SER 34 94.229 12.408 -9.403 245 2HB SER 34 2HB SER 34 93.373 13.946 -9.465 246 HG SER 34 HG SER 34 96.139 13.437 -9.195 247 H GLY 35 H GLY 35 96.037 14.911 -7.741 248 1HA GLY 35 1HA GLY 35 96.380 17.212 -7.240 249 2HA GLY 35 2HA GLY 35 94.749 17.280 -6.576 250 H THR 36 H THR 36 96.030 18.519 -4.868 251 HA THR 36 HA THR 36 97.812 17.095 -3.087 252 HB THR 36 HB THR 36 96.164 19.631 -2.909 253 HG1 THR 36 HG1 THR 36 98.719 18.905 -3.716 254 1HG2 THR 36 1HG2 THR 36 96.710 18.526 -0.659 255 2HG2 THR 36 2HG2 THR 36 98.402 18.848 -1.039 256 3HG2 THR 36 3HG2 THR 36 97.265 20.186 -0.877 257 HA PRO 37 HA PRO 37 94.750 14.917 -0.767 258 1HB PRO 37 1HB PRO 37 96.284 14.339 1.428 259 2HB PRO 37 2HB PRO 37 96.458 13.492 -0.123 260 1HG PRO 37 1HG PRO 37 98.111 15.676 1.037 261 2HG PRO 37 2HG PRO 37 98.606 14.262 0.092 262 1HD PRO 37 1HD PRO 37 98.388 16.780 -0.947 263 2HD PRO 37 2HD PRO 37 98.202 15.297 -1.907 264 H VAL 38 H VAL 38 93.644 15.130 1.404 265 HA VAL 38 HA VAL 38 93.726 17.976 2.312 266 HB VAL 38 HB VAL 38 91.429 17.393 3.152 267 1HG1 VAL 38 1HG1 VAL 38 92.256 17.954 0.598 268 2HG1 VAL 38 2HG1 VAL 38 91.324 16.476 0.351 269 3HG1 VAL 38 3HG1 VAL 38 90.568 17.880 1.106 270 1HG2 VAL 38 1HG2 VAL 38 92.107 14.893 3.327 271 2HG2 VAL 38 2HG2 VAL 38 90.480 15.264 2.758 272 3HG2 VAL 38 3HG2 VAL 38 91.739 14.821 1.604 273 H ASP 39 H ASP 39 93.964 14.635 3.467 274 HA ASP 39 HA ASP 39 95.167 15.611 5.985 275 1HB ASP 39 1HB ASP 39 92.387 14.869 5.671 276 2HB ASP 39 2HB ASP 39 93.181 13.770 6.799 277 H ASP 40 H ASP 40 96.062 13.769 7.263 278 HA ASP 40 HA ASP 40 97.561 11.908 5.834 279 1HB ASP 40 1HB ASP 40 97.130 12.581 8.459 280 2HB ASP 40 2HB ASP 40 96.472 10.946 8.410 281 H LEU 41 H LEU 41 94.377 11.263 7.381 282 HA LEU 41 HA LEU 41 93.959 8.621 6.631 283 1HB LEU 41 1HB LEU 41 92.447 10.226 7.904 284 2HB LEU 41 2HB LEU 41 91.921 10.850 6.340 285 HG LEU 41 HG LEU 41 91.334 8.452 5.715 286 1HD1 LEU 41 1HD1 LEU 41 92.771 7.580 7.687 287 2HD1 LEU 41 2HD1 LEU 41 91.375 7.970 8.692 288 3HD1 LEU 41 3HD1 LEU 41 91.223 6.791 7.388 289 1HD2 LEU 41 1HD2 LEU 41 89.961 10.335 7.440 290 2HD2 LEU 41 2HD2 LEU 41 89.297 9.305 6.172 291 3HD2 LEU 41 3HD2 LEU 41 89.469 8.682 7.814 292 H ASP 42 H ASP 42 93.459 11.527 4.615 293 HA ASP 42 HA ASP 42 92.545 10.167 2.264 294 1HB ASP 42 1HB ASP 42 92.544 12.671 2.942 295 2HB ASP 42 2HB ASP 42 94.199 12.697 2.333 296 H ARG 43 H ARG 43 95.798 11.197 3.329 297 HA ARG 43 HA ARG 43 97.316 10.417 1.090 298 1HB ARG 43 1HB ARG 43 97.724 10.605 4.060 299 2HB ARG 43 2HB ARG 43 99.010 9.914 3.070 300 1HG ARG 43 1HG ARG 43 97.972 12.302 1.823 301 2HG ARG 43 2HG ARG 43 98.467 12.648 3.480 302 1HD ARG 43 1HD ARG 43 100.302 12.865 1.728 303 2HD ARG 43 2HD ARG 43 100.692 11.777 3.065 304 HE ARG 43 HE ARG 43 99.434 10.173 1.194 305 1HH1 ARG 43 1HH1 ARG 43 102.453 11.494 1.882 306 2HH1 ARG 43 2HH1 ARG 43 103.199 10.988 0.403 307 1HH2 ARG 43 1HH2 ARG 43 100.243 9.848 -1.007 308 2HH2 ARG 43 2HH2 ARG 43 101.947 10.059 -1.234 309 H CYS 44 H CYS 44 95.973 8.488 3.732 310 HA CYS 44 HA CYS 44 97.340 6.059 3.258 311 1HB CYS 44 1HB CYS 44 94.476 6.485 4.158 312 2HB CYS 44 2HB CYS 44 95.500 5.104 4.547 313 H CYS 45 H CYS 45 94.223 7.256 1.999 314 HA CYS 45 HA CYS 45 93.710 4.988 0.296 315 1HB CYS 45 1HB CYS 45 92.811 7.887 0.164 316 2HB CYS 45 2HB CYS 45 92.051 6.552 -0.703 317 H GLN 46 H GLN 46 95.258 8.159 -0.273 318 HA GLN 46 HA GLN 46 95.682 8.037 -3.047 319 1HB GLN 46 1HB GLN 46 96.259 9.936 -1.576 320 2HB GLN 46 2HB GLN 46 97.526 8.973 -0.816 321 1HG GLN 46 1HG GLN 46 98.835 8.935 -2.799 322 2HG GLN 46 2HG GLN 46 97.489 9.490 -3.792 323 1HE2 GLN 46 2HE2 GLN 46 99.576 11.051 -4.192 324 2HE2 GLN 46 1HE2 GLN 46 99.514 12.490 -3.301 325 H THR 47 H THR 47 97.470 6.505 -0.404 326 HA THR 47 HA THR 47 99.472 5.279 -2.083 327 HB THR 47 HB THR 47 98.547 4.491 0.687 328 HG1 THR 47 HG1 THR 47 98.978 6.528 1.059 329 1HG2 THR 47 1HG2 THR 47 100.379 3.261 -0.810 330 2HG2 THR 47 2HG2 THR 47 101.396 4.567 -0.203 331 3HG2 THR 47 3HG2 THR 47 100.602 3.470 0.927 332 H HIS 48 H HIS 48 96.300 4.410 -0.861 333 HA HIS 48 HA HIS 48 96.343 1.590 -1.339 334 1HB HIS 48 1HB HIS 48 94.662 2.965 -0.046 335 2HB HIS 48 2HB HIS 48 94.042 3.559 -1.585 336 HD1 HIS 48 HD1 HIS 48 91.839 2.371 -1.817 337 HD2 HIS 48 HD2 HIS 48 94.908 -0.233 -0.728 338 HE1 HIS 48 HE1 HIS 48 90.856 0.038 -1.885 339 H ASP 49 H ASP 49 95.228 4.306 -3.360 340 HA ASP 49 HA ASP 49 94.548 2.784 -5.662 341 1HB ASP 49 1HB ASP 49 95.309 5.635 -5.056 342 2HB ASP 49 2HB ASP 49 94.988 5.134 -6.714 343 H ASN 50 H ASN 50 97.492 4.630 -4.848 344 HA ASN 50 HA ASN 50 99.020 4.053 -7.139 345 1HB ASN 50 1HB ASN 50 99.497 4.785 -4.285 346 2HB ASN 50 2HB ASN 50 100.893 4.258 -5.227 347 1HD2 ASN 50 2HD2 ASN 50 100.291 7.023 -4.240 348 2HD2 ASN 50 1HD2 ASN 50 100.232 8.002 -5.626 349 H CYS 51 H CYS 51 98.254 2.076 -4.349 350 HA CYS 51 HA CYS 51 100.321 0.078 -4.748 351 1HB CYS 51 1HB CYS 51 98.863 0.686 -2.680 352 2HB CYS 51 2HB CYS 51 97.634 -0.332 -3.430 353 H TYR 52 H TYR 52 96.887 0.344 -5.683 354 HA TYR 52 HA TYR 52 96.634 -2.238 -6.889 355 1HB TYR 52 1HB TYR 52 95.261 0.420 -6.980 356 2HB TYR 52 2HB TYR 52 94.838 -0.762 -8.219 357 HD1 TYR 52 HD1 TYR 52 94.944 -3.319 -6.930 358 HD2 TYR 52 HD2 TYR 52 93.612 0.435 -5.322 359 HE1 TYR 52 HE1 TYR 52 93.519 -4.523 -5.297 360 HE2 TYR 52 HE2 TYR 52 92.188 -0.771 -3.689 361 HH TYR 52 HH TYR 52 92.483 -4.121 -3.118 362 H LYS 53 H LYS 53 98.049 0.769 -8.014 363 HA LYS 53 HA LYS 53 98.131 0.004 -10.843 364 1HB LYS 53 1HB LYS 53 99.976 1.999 -9.537 365 2HB LYS 53 2HB LYS 53 99.194 2.088 -11.113 366 1HG LYS 53 1HG LYS 53 97.187 1.979 -9.050 367 2HG LYS 53 2HG LYS 53 98.329 3.268 -8.695 368 1HD LYS 53 1HD LYS 53 98.067 4.000 -11.122 369 2HD LYS 53 2HD LYS 53 96.707 2.879 -11.218 370 1HE LYS 53 1HE LYS 53 96.619 4.653 -8.860 371 2HE LYS 53 2HE LYS 53 96.474 5.495 -10.416 372 1HZ LYS 53 1HZ LYS 53 95.037 2.979 -10.183 373 2HZ LYS 53 2HZ LYS 53 94.430 4.252 -9.243 374 3HZ LYS 53 3HZ LYS 53 94.566 4.433 -10.925 375 H GLN 54 H GLN 54 100.547 0.414 -8.281 376 HA GLN 54 HA GLN 54 102.810 -0.659 -9.527 377 1HB GLN 54 1HB GLN 54 101.728 -0.656 -6.713 378 2HB GLN 54 2HB GLN 54 103.272 -1.431 -7.064 379 1HG GLN 54 1HG GLN 54 103.391 1.040 -8.387 380 2HG GLN 54 2HG GLN 54 102.662 1.396 -6.821 381 1HE2 GLN 54 2HE2 GLN 54 104.234 1.904 -5.295 382 2HE2 GLN 54 1HE2 GLN 54 105.780 1.211 -5.216 383 H ALA 55 H ALA 55 100.033 -2.279 -8.101 384 HA ALA 55 HA ALA 55 101.048 -4.971 -8.129 385 1HB ALA 55 1HB ALA 55 98.304 -3.694 -8.210 386 2HB ALA 55 2HB ALA 55 98.521 -5.441 -8.112 387 3HB ALA 55 3HB ALA 55 99.123 -4.402 -6.821 388 H LYS 56 H LYS 56 99.250 -3.033 -10.517 389 HA LYS 56 HA LYS 56 98.843 -5.126 -12.439 390 1HB LYS 56 1HB LYS 56 98.838 -2.133 -12.347 391 2HB LYS 56 2HB LYS 56 98.823 -2.908 -13.931 392 1HG LYS 56 1HG LYS 56 96.765 -3.956 -13.547 393 2HG LYS 56 2HG LYS 56 96.918 -3.829 -11.794 394 1HD LYS 56 1HD LYS 56 96.225 -1.625 -11.752 395 2HD LYS 56 2HD LYS 56 96.827 -1.293 -13.377 396 1HE LYS 56 1HE LYS 56 94.983 -2.641 -14.338 397 2HE LYS 56 2HE LYS 56 94.367 -2.950 -12.702 398 1HZ LYS 56 1HZ LYS 56 94.703 -0.317 -12.610 399 2HZ LYS 56 2HZ LYS 56 94.334 -0.492 -14.260 400 3HZ LYS 56 3HZ LYS 56 93.243 -1.042 -13.078 401 H LYS 57 H LYS 57 101.473 -2.754 -12.001 402 HA LYS 57 HA LYS 57 102.933 -3.292 -14.356 403 1HB LYS 57 1HB LYS 57 103.149 -1.764 -12.021 404 2HB LYS 57 2HB LYS 57 104.583 -2.791 -12.010 405 1HG LYS 57 1HG LYS 57 105.216 -0.860 -13.247 406 2HG LYS 57 2HG LYS 57 104.905 -2.101 -14.461 407 1HD LYS 57 1HD LYS 57 102.742 -1.193 -14.961 408 2HD LYS 57 2HD LYS 57 102.801 -0.121 -13.564 409 1HE LYS 57 1HE LYS 57 103.566 1.444 -15.041 410 2HE LYS 57 2HE LYS 57 105.106 0.570 -14.943 411 1HZ LYS 57 1HZ LYS 57 103.141 -0.662 -16.666 412 2HZ LYS 57 2HZ LYS 57 103.665 0.860 -17.205 413 3HZ LYS 57 3HZ LYS 57 104.793 -0.377 -16.936 414 H LEU 58 H LEU 58 102.867 -4.966 -11.235 415 HA LEU 58 HA LEU 58 105.112 -6.611 -11.407 416 1HB LEU 58 1HB LEU 58 102.414 -6.692 -10.195 417 2HB LEU 58 2HB LEU 58 103.222 -8.253 -10.323 418 HG LEU 58 HG LEU 58 104.992 -6.109 -9.386 419 1HD1 LEU 58 1HD1 LEU 58 102.371 -6.625 -8.061 420 2HD1 LEU 58 2HD1 LEU 58 103.785 -6.503 -7.015 421 3HD1 LEU 58 3HD1 LEU 58 103.353 -5.161 -8.076 422 1HD2 LEU 58 1HD2 LEU 58 104.373 -8.965 -8.885 423 2HD2 LEU 58 2HD2 LEU 58 105.935 -8.150 -8.972 424 3HD2 LEU 58 3HD2 LEU 58 104.980 -8.068 -7.493 425 H ASP 59 H ASP 59 105.685 -8.323 -12.723 426 HA ASP 59 HA ASP 59 104.271 -8.932 -15.125 427 1HB ASP 59 1HB ASP 59 106.686 -9.624 -13.764 428 2HB ASP 59 2HB ASP 59 105.910 -11.125 -14.267 429 H SER 60 H SER 60 104.662 -10.990 -12.206 430 HA SER 60 HA SER 60 103.002 -13.106 -12.802 431 1HB SER 60 1HB SER 60 103.897 -13.321 -10.705 432 2HB SER 60 2HB SER 60 103.797 -11.590 -10.387 433 HG SER 60 HG SER 60 101.878 -13.609 -10.050 434 H CYS 61 H CYS 61 101.903 -10.022 -11.340 435 HA CYS 61 HA CYS 61 99.099 -10.645 -11.437 436 1HB CYS 61 1HB CYS 61 100.720 -8.086 -11.321 437 2HB CYS 61 2HB CYS 61 98.963 -8.105 -11.174 438 H LYS 62 H LYS 62 101.260 -8.890 -13.664 439 HA LYS 62 HA LYS 62 99.261 -8.062 -15.540 440 1HB LYS 62 1HB LYS 62 101.850 -7.546 -15.138 441 2HB LYS 62 2HB LYS 62 102.042 -8.786 -16.378 442 1HG LYS 62 1HG LYS 62 100.270 -7.447 -17.709 443 2HG LYS 62 2HG LYS 62 100.618 -6.135 -16.583 444 1HD LYS 62 1HD LYS 62 102.649 -5.715 -17.510 445 2HD LYS 62 2HD LYS 62 103.019 -7.431 -17.696 446 1HE LYS 62 1HE LYS 62 102.219 -7.495 -19.840 447 2HE LYS 62 2HE LYS 62 100.863 -6.413 -19.464 448 1HZ LYS 62 1HZ LYS 62 103.475 -5.204 -19.199 449 2HZ LYS 62 2HZ LYS 62 103.083 -5.654 -20.789 450 3HZ LYS 62 3HZ LYS 62 102.068 -4.598 -19.934 451 H VAL 63 H VAL 63 100.465 -11.169 -14.794 452 HA VAL 63 HA VAL 63 99.506 -12.233 -17.433 453 HB VAL 63 HB VAL 63 101.573 -13.332 -15.499 454 1HG1 VAL 63 1HG1 VAL 63 100.166 -14.447 -17.793 455 2HG1 VAL 63 2HG1 VAL 63 101.911 -14.429 -18.052 456 3HG1 VAL 63 3HG1 VAL 63 101.237 -15.248 -16.643 457 1HG2 VAL 63 1HG2 VAL 63 101.710 -11.321 -17.594 458 2HG2 VAL 63 2HG2 VAL 63 102.955 -11.821 -16.450 459 3HG2 VAL 63 3HG2 VAL 63 102.751 -12.696 -17.967 460 H LEU 64 H LEU 64 97.565 -11.814 -15.511 461 HA LEU 64 HA LEU 64 97.059 -14.582 -14.470 462 1HB LEU 64 1HB LEU 64 96.889 -11.865 -13.228 463 2HB LEU 64 2HB LEU 64 95.712 -13.078 -12.720 464 HG LEU 64 HG LEU 64 98.731 -13.338 -12.624 465 1HD1 LEU 64 1HD1 LEU 64 97.004 -12.143 -10.836 466 2HD1 LEU 64 2HD1 LEU 64 97.109 -13.789 -10.213 467 3HD1 LEU 64 3HD1 LEU 64 98.574 -12.828 -10.419 468 1HD2 LEU 64 1HD2 LEU 64 96.609 -15.335 -12.726 469 2HD2 LEU 64 2HD2 LEU 64 98.357 -15.560 -12.797 470 3HD2 LEU 64 3HD2 LEU 64 97.544 -15.456 -11.235 471 H VAL 65 H VAL 65 95.117 -11.582 -14.670 472 HA VAL 65 HA VAL 65 93.350 -12.798 -16.652 473 HB VAL 65 HB VAL 65 92.567 -12.065 -13.841 474 1HG1 VAL 65 1HG1 VAL 65 90.928 -12.649 -16.297 475 2HG1 VAL 65 2HG1 VAL 65 90.296 -13.050 -14.699 476 3HG1 VAL 65 3HG1 VAL 65 90.704 -11.380 -15.094 477 1HG2 VAL 65 1HG2 VAL 65 92.614 -14.683 -15.368 478 2HG2 VAL 65 2HG2 VAL 65 93.558 -14.266 -13.937 479 3HG2 VAL 65 3HG2 VAL 65 91.812 -14.486 -13.808 480 H ASP 66 H ASP 66 95.074 -10.417 -16.145 481 HA ASP 66 HA ASP 66 95.011 -8.041 -16.403 482 1HB ASP 66 1HB ASP 66 93.783 -9.569 -18.526 483 2HB ASP 66 2HB ASP 66 93.029 -7.977 -18.425 484 H ASN 67 H ASN 67 93.495 -8.546 -14.182 485 HA ASN 67 HA ASN 67 91.611 -6.374 -14.140 486 1HB ASN 67 1HB ASN 67 90.737 -8.916 -15.172 487 2HB ASN 67 2HB ASN 67 89.881 -8.579 -13.669 488 1HD2 ASN 67 2HD2 ASN 67 87.862 -8.114 -14.821 489 2HD2 ASN 67 1HD2 ASN 67 87.675 -6.688 -15.722 490 HA PRO 68 HA PRO 68 93.066 -7.795 -10.051 491 1HB PRO 68 1HB PRO 68 93.331 -5.278 -9.012 492 2HB PRO 68 2HB PRO 68 94.590 -6.056 -9.992 493 1HG PRO 68 1HG PRO 68 92.583 -4.003 -10.771 494 2HG PRO 68 2HG PRO 68 94.273 -4.180 -11.269 495 1HD PRO 68 1HD PRO 68 92.142 -4.926 -12.817 496 2HD PRO 68 2HD PRO 68 93.760 -5.653 -12.940 497 H TYR 69 H TYR 69 90.309 -6.203 -11.209 498 HA TYR 69 HA TYR 69 89.067 -5.924 -8.518 499 1HB TYR 69 1HB TYR 69 88.298 -5.126 -11.338 500 2HB TYR 69 2HB TYR 69 87.238 -4.880 -9.950 501 HD1 TYR 69 HD1 TYR 69 89.105 -4.128 -7.812 502 HD2 TYR 69 HD2 TYR 69 89.083 -2.982 -11.952 503 HE1 TYR 69 HE1 TYR 69 90.330 -2.049 -7.243 504 HE2 TYR 69 HE2 TYR 69 90.309 -0.904 -11.382 505 HH TYR 69 HH TYR 69 91.138 0.352 -9.753 506 H THR 70 H THR 70 89.636 -8.606 -9.536 507 HA THR 70 HA THR 70 87.251 -9.962 -8.950 508 HB THR 70 HB THR 70 86.191 -9.050 -10.855 509 HG1 THR 70 HG1 THR 70 86.006 -11.293 -10.869 510 1HG2 THR 70 1HG2 THR 70 88.913 -8.918 -11.835 511 2HG2 THR 70 2HG2 THR 70 87.843 -9.592 -13.065 512 3HG2 THR 70 3HG2 THR 70 87.497 -8.011 -12.365 513 H ASN 71 H ASN 71 90.181 -10.203 -8.729 514 HA ASN 71 HA ASN 71 90.992 -12.479 -10.394 515 1HB ASN 71 1HB ASN 71 92.458 -10.614 -9.494 516 2HB ASN 71 2HB ASN 71 92.253 -11.318 -7.890 517 1HD2 ASN 71 2HD2 ASN 71 94.841 -11.296 -8.682 518 2HD2 ASN 71 1HD2 ASN 71 95.355 -12.823 -9.214 519 H ASN 72 H ASN 72 90.684 -12.055 -6.852 520 HA ASN 72 HA ASN 72 89.124 -14.468 -6.479 521 1HB ASN 72 1HB ASN 72 91.620 -15.072 -7.157 522 2HB ASN 72 2HB ASN 72 91.937 -14.716 -5.458 523 1HD2 ASN 72 2HD2 ASN 72 91.456 -17.318 -7.329 524 2HD2 ASN 72 1HD2 ASN 72 90.561 -18.310 -6.283 525 H TYR 73 H TYR 73 91.834 -12.996 -4.657 526 HA TYR 73 HA TYR 73 91.836 -11.855 -2.586 527 1HB TYR 73 1HB TYR 73 89.834 -10.822 -4.036 528 2HB TYR 73 2HB TYR 73 88.869 -11.548 -2.751 529 HD1 TYR 73 HD1 TYR 73 90.478 -11.283 -0.371 530 HD2 TYR 73 HD2 TYR 73 89.998 -8.524 -3.628 531 HE1 TYR 73 HE1 TYR 73 91.068 -9.401 1.135 532 HE2 TYR 73 HE2 TYR 73 90.587 -6.643 -2.123 533 HH TYR 73 HH TYR 73 91.172 -6.043 -0.074 534 H SER 74 H SER 74 92.105 -13.067 -0.772 535 HA SER 74 HA SER 74 89.798 -14.512 0.389 536 1HB SER 74 1HB SER 74 91.329 -15.858 -1.359 537 2HB SER 74 2HB SER 74 92.333 -16.066 0.075 538 HG SER 74 HG SER 74 90.688 -17.703 -0.239 539 H TYR 75 H TYR 75 89.873 -13.940 2.529 540 HA TYR 75 HA TYR 75 92.372 -14.164 4.053 541 1HB TYR 75 1HB TYR 75 92.534 -11.799 4.569 542 2HB TYR 75 2HB TYR 75 92.462 -11.963 2.814 543 HD1 TYR 75 HD1 TYR 75 90.152 -11.739 1.676 544 HD2 TYR 75 HD2 TYR 75 90.917 -10.506 5.719 545 HE1 TYR 75 HE1 TYR 75 88.122 -10.314 1.627 546 HE2 TYR 75 HE2 TYR 75 88.888 -9.083 5.670 547 HH TYR 75 HH TYR 75 86.477 -9.389 3.628 548 H SER 76 H SER 76 91.741 -12.799 6.309 549 HA SER 76 HA SER 76 88.925 -13.334 7.056 550 1HB SER 76 1HB SER 76 90.781 -15.326 7.291 551 2HB SER 76 2HB SER 76 90.931 -14.550 8.864 552 HG SER 76 HG SER 76 89.002 -15.232 9.376 553 H CYS 77 H CYS 77 88.878 -12.914 9.653 554 HA CYS 77 HA CYS 77 90.600 -10.521 10.216 555 1HB CYS 77 1HB CYS 77 88.479 -9.667 9.578 556 2HB CYS 77 2HB CYS 77 87.625 -10.943 10.429 557 H SER 78 H SER 78 90.602 -10.030 12.583 558 HA SER 78 HA SER 78 89.716 -11.690 14.668 559 1HB SER 78 1HB SER 78 91.747 -12.876 12.959 560 2HB SER 78 2HB SER 78 92.314 -12.772 14.623 561 HG SER 78 HG SER 78 91.154 -14.548 14.760 562 H ASN 79 H ASN 79 90.517 -10.944 16.660 563 HA ASN 79 HA ASN 79 91.463 -9.258 18.043 564 1HB ASN 79 1HB ASN 79 93.785 -10.396 16.452 565 2HB ASN 79 2HB ASN 79 93.963 -9.474 17.946 566 1HD2 ASN 79 2HD2 ASN 79 94.067 -12.577 16.960 567 2HD2 ASN 79 1HD2 ASN 79 93.393 -13.360 18.307 568 H ASN 80 H ASN 80 90.291 -7.920 15.966 569 HA ASN 80 HA ASN 80 90.394 -6.008 14.626 570 1HB ASN 80 1HB ASN 80 92.583 -5.247 16.546 571 2HB ASN 80 2HB ASN 80 91.349 -4.228 15.843 572 1HD2 ASN 80 2HD2 ASN 80 89.192 -6.109 16.309 573 2HD2 ASN 80 1HD2 ASN 80 88.939 -6.100 17.970 574 H GLU 81 H GLU 81 91.942 -8.142 13.656 575 HA GLU 81 HA GLU 81 94.064 -6.650 12.244 576 1HB GLU 81 1HB GLU 81 94.291 -9.248 13.753 577 2HB GLU 81 2HB GLU 81 95.475 -8.772 12.533 578 1HG GLU 81 1HG GLU 81 95.103 -6.496 14.140 579 2HG GLU 81 2HG GLU 81 95.204 -7.853 15.255 580 H ILE 82 H ILE 82 94.651 -7.617 10.189 581 HA ILE 82 HA ILE 82 92.381 -9.074 8.947 582 HB ILE 82 HB ILE 82 94.769 -7.481 8.026 583 1HG1 ILE 82 1HG1 ILE 82 92.167 -7.041 6.780 584 2HG1 ILE 82 2HG1 ILE 82 92.079 -6.924 8.536 585 1HG2 ILE 82 1HG2 ILE 82 94.610 -9.541 6.605 586 2HG2 ILE 82 2HG2 ILE 82 92.946 -9.100 6.219 587 3HG2 ILE 82 3HG2 ILE 82 94.276 -8.058 5.712 588 1HD1 ILE 82 1HD1 ILE 82 94.430 -5.573 7.898 589 2HD1 ILE 82 2HD1 ILE 82 93.309 -5.097 6.622 590 3HD1 ILE 82 3HD1 ILE 82 92.886 -4.828 8.312 591 H THR 83 H THR 83 92.565 -11.179 8.194 592 HA THR 83 HA THR 83 95.200 -12.547 8.625 593 HB THR 83 HB THR 83 92.337 -13.195 9.200 594 HG1 THR 83 HG1 THR 83 94.067 -12.568 10.719 595 1HG2 THR 83 1HG2 THR 83 94.375 -15.157 8.212 596 2HG2 THR 83 2HG2 THR 83 93.258 -15.655 9.483 597 3HG2 THR 83 3HG2 THR 83 92.636 -15.113 7.924 598 H CYS 84 H CYS 84 95.870 -12.179 6.393 599 HA CYS 84 HA CYS 84 94.153 -13.147 4.202 600 1HB CYS 84 1HB CYS 84 96.277 -11.325 4.569 601 2HB CYS 84 2HB CYS 84 96.920 -12.594 3.526 602 H SER 85 H SER 85 94.478 -15.092 3.081 603 HA SER 85 HA SER 85 95.856 -17.245 4.429 604 1HB SER 85 1HB SER 85 93.998 -17.873 3.155 605 2HB SER 85 2HB SER 85 94.419 -16.793 1.829 606 HG SER 85 HG SER 85 95.320 -19.358 2.429 607 H SER 86 H SER 86 97.808 -18.287 3.814 608 HA SER 86 HA SER 86 99.852 -16.616 2.624 609 1HB SER 86 1HB SER 86 101.230 -18.632 3.009 610 2HB SER 86 2HB SER 86 100.215 -18.300 4.409 611 HG SER 86 HG SER 86 100.280 -20.468 2.823 612 H GLU 87 H GLU 87 97.520 -18.815 1.343 613 HA GLU 87 HA GLU 87 98.840 -19.854 -0.943 614 1HB GLU 87 1HB GLU 87 96.039 -19.163 -0.126 615 2HB GLU 87 2HB GLU 87 96.330 -19.610 -1.808 616 1HG GLU 87 1HG GLU 87 97.344 -21.720 -1.111 617 2HG GLU 87 2HG GLU 87 97.178 -21.270 0.585 618 H ASN 88 H ASN 88 97.647 -16.636 -0.253 619 HA ASN 88 HA ASN 88 97.286 -15.535 -2.796 620 1HB ASN 88 1HB ASN 88 98.441 -14.468 -0.216 621 2HB ASN 88 2HB ASN 88 98.109 -13.423 -1.598 622 1HD2 ASN 88 2HD2 ASN 88 96.697 -13.165 0.913 623 2HD2 ASN 88 1HD2 ASN 88 95.071 -13.564 0.638 624 H ASN 89 H ASN 89 98.806 -16.307 -4.356 625 HA ASN 89 HA ASN 89 101.597 -16.542 -4.092 626 1HB ASN 89 1HB ASN 89 101.533 -16.185 -6.594 627 2HB ASN 89 2HB ASN 89 100.347 -17.352 -6.009 628 1HD2 ASN 89 2HD2 ASN 89 99.519 -16.425 -8.339 629 2HD2 ASN 89 1HD2 ASN 89 98.379 -15.174 -8.207 630 H ALA 90 H ALA 90 103.016 -14.932 -5.656 631 HA ALA 90 HA ALA 90 103.569 -12.604 -4.234 632 1HB ALA 90 1HB ALA 90 104.157 -13.791 -6.835 633 2HB ALA 90 2HB ALA 90 104.195 -12.030 -6.889 634 3HB ALA 90 3HB ALA 90 105.224 -12.899 -5.752 635 H CYS 91 H CYS 91 101.073 -13.131 -6.654 636 HA CYS 91 HA CYS 91 100.498 -10.267 -6.985 637 1HB CYS 91 1HB CYS 91 100.268 -12.225 -8.668 638 2HB CYS 91 2HB CYS 91 98.775 -12.607 -7.809 639 H GLU 92 H GLU 92 98.566 -13.045 -5.774 640 HA GLU 92 HA GLU 92 96.441 -11.551 -4.661 641 1HB GLU 92 1HB GLU 92 97.713 -14.227 -4.242 642 2HB GLU 92 2HB GLU 92 96.512 -13.695 -3.065 643 1HG GLU 92 1HG GLU 92 95.640 -13.173 -5.795 644 2HG GLU 92 2HG GLU 92 95.979 -14.884 -5.535 645 H ALA 93 H ALA 93 99.649 -12.270 -3.384 646 HA ALA 93 HA ALA 93 99.093 -11.365 -0.675 647 1HB ALA 93 1HB ALA 93 101.017 -12.834 -1.918 648 2HB ALA 93 2HB ALA 93 101.850 -11.285 -1.778 649 3HB ALA 93 3HB ALA 93 101.243 -12.094 -0.333 650 H PHE 94 H PHE 94 100.448 -9.867 -3.606 651 HA PHE 94 HA PHE 94 101.247 -7.390 -2.365 652 1HB PHE 94 1HB PHE 94 101.975 -8.353 -4.587 653 2HB PHE 94 2HB PHE 94 100.387 -7.928 -5.225 654 HD1 PHE 94 HD1 PHE 94 103.596 -6.620 -3.973 655 HD2 PHE 94 HD2 PHE 94 99.736 -5.602 -5.556 656 HE1 PHE 94 HE1 PHE 94 104.373 -4.299 -4.374 657 HE2 PHE 94 HE2 PHE 94 100.513 -3.281 -5.960 658 HZ PHE 94 HZ PHE 94 102.831 -2.630 -5.369 659 H ILE 95 H ILE 95 98.265 -8.456 -3.994 660 HA ILE 95 HA ILE 95 96.921 -5.907 -3.908 661 HB ILE 95 HB ILE 95 95.856 -8.751 -3.957 662 1HG1 ILE 95 1HG1 ILE 95 96.708 -6.864 -6.176 663 2HG1 ILE 95 2HG1 ILE 95 97.471 -8.395 -5.749 664 1HG2 ILE 95 1HG2 ILE 95 94.529 -6.238 -3.837 665 2HG2 ILE 95 2HG2 ILE 95 94.335 -6.848 -5.480 666 3HG2 ILE 95 3HG2 ILE 95 93.810 -7.825 -4.110 667 1HD1 ILE 95 1HD1 ILE 95 94.806 -9.087 -6.114 668 2HD1 ILE 95 2HD1 ILE 95 95.097 -7.898 -7.383 669 3HD1 ILE 95 3HD1 ILE 95 96.104 -9.343 -7.279 670 H CYS 96 H CYS 96 96.809 -8.780 -1.776 671 HA CYS 96 HA CYS 96 94.893 -7.787 0.087 672 1HB CYS 96 1HB CYS 96 95.608 -10.116 -0.040 673 2HB CYS 96 2HB CYS 96 97.263 -9.664 0.371 674 H ASN 97 H ASN 97 98.237 -6.974 -0.432 675 HA ASN 97 HA ASN 97 98.689 -5.840 2.231 676 1HB ASN 97 1HB ASN 97 100.114 -6.087 -0.391 677 2HB ASN 97 2HB ASN 97 100.687 -4.873 0.751 678 1HD2 ASN 97 2HD2 ASN 97 102.487 -6.834 0.324 679 2HD2 ASN 97 1HD2 ASN 97 102.521 -7.942 1.604 680 H CYS 98 H CYS 98 97.612 -4.690 -0.925 681 HA CYS 98 HA CYS 98 97.946 -1.870 -0.453 682 1HB CYS 98 1HB CYS 98 96.007 -3.430 -2.194 683 2HB CYS 98 2HB CYS 98 96.391 -1.719 -2.382 684 H ASP 99 H ASP 99 95.113 -4.034 -0.112 685 HA ASP 99 HA ASP 99 93.371 -1.980 0.965 686 1HB ASP 99 1HB ASP 99 93.397 -4.994 0.789 687 2HB ASP 99 2HB ASP 99 92.095 -4.150 1.627 688 H ARG 100 H ARG 100 95.559 -4.386 2.346 689 HA ARG 100 HA ARG 100 94.720 -4.185 5.086 690 1HB ARG 100 1HB ARG 100 96.070 -6.016 4.238 691 2HB ARG 100 2HB ARG 100 97.337 -4.903 3.728 692 1HG ARG 100 1HG ARG 100 98.278 -5.372 5.740 693 2HG ARG 100 2HG ARG 100 97.069 -4.260 6.383 694 1HD ARG 100 1HD ARG 100 96.853 -6.276 7.677 695 2HD ARG 100 2HD ARG 100 95.505 -6.309 6.529 696 HE ARG 100 HE ARG 100 96.511 -8.281 5.742 697 1HH1 ARG 100 1HH1 ARG 100 98.505 -6.735 4.155 698 2HH1 ARG 100 2HH1 ARG 100 100.011 -7.354 4.746 699 1HH2 ARG 100 1HH2 ARG 100 98.621 -8.769 7.590 700 2HH2 ARG 100 2HH2 ARG 100 100.077 -8.505 6.689 701 H ASN 101 H ASN 101 97.635 -2.813 3.529 702 HA ASN 101 HA ASN 101 98.450 -1.112 5.622 703 1HB ASN 101 1HB ASN 101 98.720 -1.228 2.645 704 2HB ASN 101 2HB ASN 101 99.271 0.232 3.460 705 1HD2 ASN 101 2HD2 ASN 101 101.314 -1.068 2.337 706 2HD2 ASN 101 1HD2 ASN 101 102.193 -1.981 3.460 707 H ALA 102 H ALA 102 95.860 -0.738 3.292 708 HA ALA 102 HA ALA 102 95.475 2.120 3.688 709 1HB ALA 102 1HB ALA 102 94.761 0.376 1.803 710 2HB ALA 102 2HB ALA 102 93.308 0.254 2.797 711 3HB ALA 102 3HB ALA 102 93.787 1.811 2.121 712 H ALA 103 H ALA 103 93.831 -0.813 4.921 713 HA ALA 103 HA ALA 103 91.915 0.606 6.541 714 1HB ALA 103 1HB ALA 103 92.976 -2.171 6.223 715 2HB ALA 103 2HB ALA 103 92.062 -1.814 7.689 716 3HB ALA 103 3HB ALA 103 91.315 -1.589 6.107 717 H ILE 104 H ILE 104 95.184 -0.629 7.152 718 HA ILE 104 HA ILE 104 95.149 -0.236 10.012 719 HB ILE 104 HB ILE 104 97.437 -0.251 8.017 720 1HG1 ILE 104 1HG1 ILE 104 96.315 -2.579 9.598 721 2HG1 ILE 104 2HG1 ILE 104 95.806 -2.217 7.948 722 1HG2 ILE 104 1HG2 ILE 104 98.035 0.539 10.294 723 2HG2 ILE 104 2HG2 ILE 104 97.353 -0.939 10.972 724 3HG2 ILE 104 3HG2 ILE 104 98.773 -1.020 9.930 725 1HD1 ILE 104 1HD1 ILE 104 98.697 -2.623 8.751 726 2HD1 ILE 104 2HD1 ILE 104 97.674 -3.911 8.118 727 3HD1 ILE 104 3HD1 ILE 104 98.049 -2.510 7.115 728 H CYS 105 H CYS 105 95.888 1.852 7.257 729 HA CYS 105 HA CYS 105 97.185 3.960 8.725 730 1HB CYS 105 1HB CYS 105 97.013 3.422 6.178 731 2HB CYS 105 2HB CYS 105 95.503 4.331 6.248 732 H PHE 106 H PHE 106 93.770 3.474 7.732 733 HA PHE 106 HA PHE 106 92.691 5.877 8.717 734 1HB PHE 106 1HB PHE 106 91.424 3.131 8.873 735 2HB PHE 106 2HB PHE 106 90.602 4.673 8.656 736 HD1 PHE 106 HD1 PHE 106 92.661 5.839 6.666 737 HD2 PHE 106 HD2 PHE 106 90.612 2.069 6.869 738 HE1 PHE 106 HE1 PHE 106 92.853 5.597 4.203 739 HE2 PHE 106 HE2 PHE 106 90.807 1.828 4.409 740 HZ PHE 106 HZ PHE 106 91.929 3.593 3.076 741 H SER 107 H SER 107 93.165 2.755 10.344 742 HA SER 107 HA SER 107 92.173 3.645 12.919 743 1HB SER 107 1HB SER 107 92.739 1.450 13.569 744 2HB SER 107 2HB SER 107 92.442 1.282 11.841 745 HG SER 107 HG SER 107 94.790 1.709 11.647 746 H LYS 108 H LYS 108 95.127 4.149 11.249 747 HA LYS 108 HA LYS 108 96.680 4.558 13.754 748 1HB LYS 108 1HB LYS 108 97.276 4.425 10.796 749 2HB LYS 108 2HB LYS 108 98.483 5.010 11.943 750 1HG LYS 108 1HG LYS 108 97.223 2.546 12.862 751 2HG LYS 108 2HG LYS 108 97.999 2.341 11.290 752 1HD LYS 108 1HD LYS 108 100.114 2.957 12.113 753 2HD LYS 108 2HD LYS 108 99.431 3.754 13.531 754 1HE LYS 108 1HE LYS 108 98.515 1.150 13.802 755 2HE LYS 108 2HE LYS 108 100.162 0.938 13.172 756 1HZ LYS 108 1HZ LYS 108 100.756 2.782 14.829 757 2HZ LYS 108 2HZ LYS 108 99.285 2.402 15.584 758 3HZ LYS 108 3HZ LYS 108 100.495 1.219 15.442 759 H VAL 109 H VAL 109 94.675 6.309 11.674 760 HA VAL 109 HA VAL 109 95.906 8.887 12.581 761 HB VAL 109 HB VAL 109 95.261 9.775 10.348 762 1HG1 VAL 109 1HG1 VAL 109 96.996 7.291 10.386 763 2HG1 VAL 109 2HG1 VAL 109 96.917 8.405 9.022 764 3HG1 VAL 109 3HG1 VAL 109 97.523 8.962 10.582 765 1HG2 VAL 109 1HG2 VAL 109 93.821 7.267 10.276 766 2HG2 VAL 109 2HG2 VAL 109 93.704 8.641 9.176 767 3HG2 VAL 109 3HG2 VAL 109 94.904 7.381 8.888 768 HA PRO 110 HA PRO 110 91.866 9.921 13.942 769 1HB PRO 110 1HB PRO 110 91.808 12.621 13.490 770 2HB PRO 110 2HB PRO 110 92.768 11.879 14.785 771 1HG PRO 110 1HG PRO 110 93.634 12.877 12.122 772 2HG PRO 110 2HG PRO 110 94.464 12.954 13.683 773 1HD PRO 110 1HD PRO 110 95.068 11.148 11.714 774 2HD PRO 110 2HD PRO 110 95.378 10.876 13.443 775 H TYR 111 H TYR 111 89.760 10.983 13.161 776 HA TYR 111 HA TYR 111 89.588 10.979 10.165 777 1HB TYR 111 1HB TYR 111 88.764 8.866 10.907 778 2HB TYR 111 2HB TYR 111 87.911 9.594 12.268 779 HD1 TYR 111 HD1 TYR 111 88.081 10.279 8.576 780 HD2 TYR 111 HD2 TYR 111 85.600 9.533 12.003 781 HE1 TYR 111 HE1 TYR 111 86.057 10.542 7.169 782 HE2 TYR 111 HE2 TYR 111 83.576 9.795 10.594 783 HH TYR 111 HH TYR 111 83.181 9.460 7.866 784 H ASN 112 H ASN 112 89.171 13.157 9.783 785 HA ASN 112 HA ASN 112 87.472 14.723 11.600 786 1HB ASN 112 1HB ASN 112 88.709 15.353 8.899 787 2HB ASN 112 2HB ASN 112 88.058 16.532 10.038 788 1HD2 ASN 112 2HD2 ASN 112 90.876 14.700 9.212 789 2HD2 ASN 112 1HD2 ASN 112 91.815 15.134 10.557 790 H LYS 113 H LYS 113 85.349 13.894 11.443 791 HA LYS 113 HA LYS 113 83.959 12.954 9.210 792 1HB LYS 113 1HB LYS 113 83.030 14.680 11.528 793 2HB LYS 113 2HB LYS 113 81.951 13.755 10.484 794 1HG LYS 113 1HG LYS 113 82.658 11.713 11.326 795 2HG LYS 113 2HG LYS 113 84.246 12.333 11.777 796 1HD LYS 113 1HD LYS 113 83.520 12.699 13.872 797 2HD LYS 113 2HD LYS 113 82.280 13.790 13.254 798 1HE LYS 113 1HE LYS 113 80.914 12.190 14.246 799 2HE LYS 113 2HE LYS 113 81.094 11.447 12.644 800 1HZ LYS 113 1HZ LYS 113 83.164 10.979 14.674 801 2HZ LYS 113 2HZ LYS 113 81.715 10.105 14.781 802 3HZ LYS 113 3HZ LYS 113 82.676 9.986 13.385 803 H GLU 114 H GLU 114 84.930 16.235 9.901 804 HA GLU 114 HA GLU 114 83.040 17.526 8.148 805 1HB GLU 114 1HB GLU 114 84.578 18.314 10.186 806 2HB GLU 114 2HB GLU 114 85.669 18.734 8.866 807 1HG GLU 114 1HG GLU 114 83.883 20.060 7.802 808 2HG GLU 114 2HG GLU 114 82.786 19.642 9.119 809 H HIS 115 H HIS 115 85.791 15.640 7.549 810 HA HIS 115 HA HIS 115 86.531 17.087 5.059 811 1HB HIS 115 1HB HIS 115 87.675 14.994 6.852 812 2HB HIS 115 2HB HIS 115 88.172 14.966 5.160 813 HD1 HIS 115 HD1 HIS 115 90.256 16.271 4.824 814 HD2 HIS 115 HD2 HIS 115 87.849 17.986 7.765 815 HE1 HIS 115 HE1 HIS 115 91.466 18.350 5.618 816 H LYS 116 H LYS 116 84.192 14.918 5.895 817 HA LYS 116 HA LYS 116 84.460 12.891 3.858 818 1HB LYS 116 1HB LYS 116 83.082 13.219 6.137 819 2HB LYS 116 2HB LYS 116 81.840 13.745 5.004 820 1HG LYS 116 1HG LYS 116 82.430 11.582 3.694 821 2HG LYS 116 2HG LYS 116 83.201 11.068 5.195 822 1HD LYS 116 1HD LYS 116 80.575 12.188 5.717 823 2HD LYS 116 2HD LYS 116 80.476 10.860 4.560 824 1HE LYS 116 1HE LYS 116 82.010 9.563 6.198 825 2HE LYS 116 2HE LYS 116 81.561 10.808 7.380 826 1HZ LYS 116 1HZ LYS 116 79.472 9.561 5.729 827 2HZ LYS 116 2HZ LYS 116 80.058 8.721 7.081 828 3HZ LYS 116 3HZ LYS 116 79.350 10.253 7.275 829 H ASN 117 H ASN 117 83.622 12.903 1.759 830 HA ASN 117 HA ASN 117 82.762 13.814 -0.247 831 1HB ASN 117 1HB ASN 117 80.985 14.732 1.989 832 2HB ASN 117 2HB ASN 117 80.694 15.356 0.365 833 1HD2 ASN 117 2HD2 ASN 117 80.632 12.436 2.359 834 2HD2 ASN 117 1HD2 ASN 117 79.841 11.459 1.218 835 H LEU 118 H LEU 118 85.015 15.082 0.007 836 HA LEU 118 HA LEU 118 84.851 17.884 0.614 837 1HB LEU 118 1HB LEU 118 86.905 16.877 1.027 838 2HB LEU 118 2HB LEU 118 86.763 15.833 -0.369 839 HG LEU 118 HG LEU 118 87.048 17.894 -1.793 840 1HD1 LEU 118 1HD1 LEU 118 86.703 19.305 0.461 841 2HD1 LEU 118 2HD1 LEU 118 88.455 19.119 0.544 842 3HD1 LEU 118 3HD1 LEU 118 87.717 19.908 -0.850 843 1HD2 LEU 118 1HD2 LEU 118 89.290 16.951 0.010 844 2HD2 LEU 118 2HD2 LEU 118 88.823 16.252 -1.541 845 3HD2 LEU 118 3HD2 LEU 118 89.531 17.866 -1.478 846 H ASP 119 H ASP 119 85.624 19.422 -1.187 847 HA ASP 119 HA ASP 119 83.934 18.998 -3.587 848 1HB ASP 119 1HB ASP 119 83.996 21.062 -2.015 849 2HB ASP 119 2HB ASP 119 85.503 21.467 -2.837 850 H LYS 120 H LYS 120 84.894 18.279 -5.447 851 HA LYS 120 HA LYS 120 87.612 17.740 -5.834 852 1HB LYS 120 1HB LYS 120 85.200 18.184 -7.535 853 2HB LYS 120 2HB LYS 120 86.764 18.122 -8.351 854 1HG LYS 120 1HG LYS 120 87.231 15.954 -7.200 855 2HG LYS 120 2HG LYS 120 85.604 16.001 -6.521 856 1HD LYS 120 1HD LYS 120 84.592 15.828 -8.671 857 2HD LYS 120 2HD LYS 120 86.111 16.180 -9.495 858 1HE LYS 120 1HE LYS 120 87.003 14.047 -9.036 859 2HE LYS 120 2HE LYS 120 85.862 13.757 -7.708 860 1HZ LYS 120 1HZ LYS 120 84.141 14.183 -9.636 861 2HZ LYS 120 2HZ LYS 120 85.421 13.617 -10.600 862 3HZ LYS 120 3HZ LYS 120 84.790 12.641 -9.361 863 H LYS 121 H LYS 121 85.978 20.792 -5.913 864 HA LYS 121 HA LYS 121 87.673 22.283 -7.665 865 1HB LYS 121 1HB LYS 121 85.630 22.687 -5.613 866 2HB LYS 121 2HB LYS 121 86.809 23.998 -5.666 867 1HG LYS 121 1HG LYS 121 85.591 22.937 -8.200 868 2HG LYS 121 2HG LYS 121 84.741 24.141 -7.232 869 1HD LYS 121 1HD LYS 121 87.206 25.262 -7.302 870 2HD LYS 121 2HD LYS 121 87.212 24.420 -8.852 871 1HE LYS 121 1HE LYS 121 85.849 25.992 -9.746 872 2HE LYS 121 2HE LYS 121 84.658 25.733 -8.455 873 1HZ LYS 121 1HZ LYS 121 86.041 27.084 -6.981 874 2HZ LYS 121 2HZ LYS 121 87.124 27.383 -8.256 875 3HZ LYS 121 3HZ LYS 121 85.532 27.975 -8.333 876 H ASN 122 H ASN 122 88.316 20.865 -4.677 877 HA ASN 122 HA ASN 122 90.478 22.768 -3.928 878 1HB ASN 122 1HB ASN 122 88.948 20.492 -2.724 879 2HB ASN 122 2HB ASN 122 90.578 20.779 -2.127 880 1HD2 ASN 122 2HD2 ASN 122 87.479 22.511 -2.723 881 2HD2 ASN 122 1HD2 ASN 122 87.678 23.617 -1.451 882 H CYS 123 H CYS 123 89.868 19.994 -5.724 883 HA CYS 123 HA CYS 123 92.682 19.012 -5.575 884 1HB CYS 123 1HB CYS 123 89.957 17.902 -6.006 885 2HB CYS 123 2HB CYS 123 91.265 17.122 -6.872 Start of MODEL 8 1 1H ALA 1 1H ALA 1 85.637 -6.904 -7.084 2 2H ALA 1 2H ALA 1 84.957 -8.460 -7.066 3 3H ALA 1 3H ALA 1 84.078 -7.145 -6.456 4 HA ALA 1 HA ALA 1 84.947 -8.410 -4.611 5 1HB ALA 1 1HB ALA 1 86.844 -9.094 -6.381 6 2HB ALA 1 2HB ALA 1 87.727 -7.821 -5.539 7 3HB ALA 1 3HB ALA 1 87.118 -9.214 -4.644 8 H LEU 2 H LEU 2 83.981 -5.890 -4.698 9 HA LEU 2 HA LEU 2 86.116 -4.081 -3.645 10 1HB LEU 2 1HB LEU 2 84.046 -3.779 -5.489 11 2HB LEU 2 2HB LEU 2 83.438 -2.977 -4.040 12 HG LEU 2 HG LEU 2 85.963 -2.027 -4.038 13 1HD1 LEU 2 1HD1 LEU 2 85.676 -3.278 -6.581 14 2HD1 LEU 2 2HD1 LEU 2 85.677 -1.535 -6.850 15 3HD1 LEU 2 3HD1 LEU 2 87.023 -2.297 -6.004 16 1HD2 LEU 2 1HD2 LEU 2 83.344 -1.099 -4.853 17 2HD2 LEU 2 2HD2 LEU 2 84.642 -0.198 -4.068 18 3HD2 LEU 2 3HD2 LEU 2 84.594 -0.325 -5.827 19 H TRP 3 H TRP 3 83.925 -6.260 -2.458 20 HA TRP 3 HA TRP 3 83.000 -4.595 -0.182 21 1HB TRP 3 1HB TRP 3 81.490 -6.382 0.203 22 2HB TRP 3 2HB TRP 3 81.638 -6.326 -1.552 23 HD1 TRP 3 HD1 TRP 3 83.427 -8.119 -2.648 24 HE1 TRP 3 HE1 TRP 3 83.973 -10.525 -1.897 25 HE3 TRP 3 HE3 TRP 3 81.661 -7.975 2.142 26 HZ2 TRP 3 HZ2 TRP 3 83.697 -12.170 0.422 27 HZ3 TRP 3 HZ3 TRP 3 81.816 -9.974 3.598 28 HH2 TRP 3 HH2 TRP 3 82.832 -12.070 2.744 29 H GLN 4 H GLN 4 85.263 -7.208 -0.911 30 HA GLN 4 HA GLN 4 85.873 -8.106 1.708 31 1HB GLN 4 1HB GLN 4 87.636 -7.722 -0.737 32 2HB GLN 4 2HB GLN 4 88.036 -8.747 0.640 33 1HG GLN 4 1HG GLN 4 85.606 -9.746 0.094 34 2HG GLN 4 2HG GLN 4 86.029 -9.177 -1.522 35 1HE2 GLN 4 2HE2 GLN 4 87.159 -10.693 -2.738 36 2HE2 GLN 4 1HE2 GLN 4 88.147 -11.917 -2.100 37 H PHE 5 H PHE 5 86.848 -5.201 -0.029 38 HA PHE 5 HA PHE 5 89.015 -4.387 1.658 39 1HB PHE 5 1HB PHE 5 88.388 -3.535 -0.625 40 2HB PHE 5 2HB PHE 5 87.016 -2.705 0.110 41 HD1 PHE 5 HD1 PHE 5 90.412 -3.151 1.578 42 HD2 PHE 5 HD2 PHE 5 87.612 -0.426 -0.206 43 HE1 PHE 5 HE1 PHE 5 91.884 -1.247 2.177 44 HE2 PHE 5 HE2 PHE 5 89.084 1.478 0.393 45 HZ PHE 5 HZ PHE 5 91.219 1.067 1.583 46 H ASN 6 H ASN 6 85.521 -3.620 1.750 47 HA ASN 6 HA ASN 6 85.594 -1.844 3.983 48 1HB ASN 6 1HB ASN 6 83.521 -3.721 2.822 49 2HB ASN 6 2HB ASN 6 83.151 -2.600 4.133 50 1HD2 ASN 6 2HD2 ASN 6 81.686 -2.033 1.969 51 2HD2 ASN 6 1HD2 ASN 6 82.313 -0.734 1.075 52 H GLY 7 H GLY 7 85.254 -5.385 3.796 53 1HA GLY 7 1HA GLY 7 84.681 -5.887 6.527 54 2HA GLY 7 2HA GLY 7 85.495 -7.028 5.456 55 H MET 8 H MET 8 87.813 -5.555 4.860 56 HA MET 8 HA MET 8 89.511 -6.164 7.059 57 1HB MET 8 1HB MET 8 89.728 -4.382 4.623 58 2HB MET 8 2HB MET 8 91.088 -4.634 5.716 59 1HG MET 8 1HG MET 8 90.705 -7.141 5.389 60 2HG MET 8 2HG MET 8 89.634 -6.702 4.059 61 1HE MET 8 1HE MET 8 91.451 -8.528 3.729 62 2HE MET 8 2HE MET 8 92.090 -8.104 2.134 63 3HE MET 8 3HE MET 8 93.174 -8.226 3.517 64 H ILE 9 H ILE 9 87.880 -3.151 6.129 65 HA ILE 9 HA ILE 9 89.209 -1.490 8.103 66 HB ILE 9 HB ILE 9 86.532 -1.140 6.717 67 1HG1 ILE 9 1HG1 ILE 9 89.333 -0.447 5.773 68 2HG1 ILE 9 2HG1 ILE 9 88.276 -1.672 5.070 69 1HG2 ILE 9 1HG2 ILE 9 88.515 0.736 8.015 70 2HG2 ILE 9 2HG2 ILE 9 87.298 1.304 6.872 71 3HG2 ILE 9 3HG2 ILE 9 86.801 0.540 8.383 72 1HD1 ILE 9 1HD1 ILE 9 86.574 0.280 4.804 73 2HD1 ILE 9 2HD1 ILE 9 87.978 1.324 5.017 74 3HD1 ILE 9 3HD1 ILE 9 87.923 0.185 3.672 75 H LYS 10 H LYS 10 86.488 -3.676 8.158 76 HA LYS 10 HA LYS 10 85.258 -2.578 10.570 77 1HB LYS 10 1HB LYS 10 84.956 -4.940 8.756 78 2HB LYS 10 2HB LYS 10 84.208 -5.022 10.351 79 1HG LYS 10 1HG LYS 10 83.287 -2.649 9.767 80 2HG LYS 10 2HG LYS 10 83.646 -3.106 8.101 81 1HD LYS 10 1HD LYS 10 82.379 -5.347 8.897 82 2HD LYS 10 2HD LYS 10 81.587 -4.181 9.959 83 1HE LYS 10 1HE LYS 10 80.945 -2.805 8.034 84 2HE LYS 10 2HE LYS 10 81.810 -3.902 6.940 85 1HZ LYS 10 1HZ LYS 10 79.952 -5.138 8.804 86 2HZ LYS 10 2HZ LYS 10 79.247 -4.223 7.563 87 3HZ LYS 10 3HZ LYS 10 80.275 -5.521 7.181 88 H CYS 11 H CYS 11 87.505 -5.230 9.815 89 HA CYS 11 HA CYS 11 87.577 -6.474 12.358 90 1HB CYS 11 1HB CYS 11 88.512 -7.351 10.231 91 2HB CYS 11 2HB CYS 11 89.751 -6.099 10.277 92 H LYS 12 H LYS 12 89.692 -3.980 10.953 93 HA LYS 12 HA LYS 12 91.211 -3.526 13.376 94 1HB LYS 12 1HB LYS 12 90.723 -1.928 10.842 95 2HB LYS 12 2HB LYS 12 91.923 -1.486 12.057 96 1HG LYS 12 1HG LYS 12 92.489 -4.144 11.646 97 2HG LYS 12 2HG LYS 12 92.006 -3.621 10.032 98 1HD LYS 12 1HD LYS 12 94.020 -2.656 9.767 99 2HD LYS 12 2HD LYS 12 93.655 -1.572 11.110 100 1HE LYS 12 1HE LYS 12 94.738 -4.380 11.507 101 2HE LYS 12 2HE LYS 12 95.765 -2.933 11.445 102 1HZ LYS 12 1HZ LYS 12 94.187 -1.964 13.139 103 2HZ LYS 12 2HZ LYS 12 93.577 -3.535 13.353 104 3HZ LYS 12 3HZ LYS 12 95.205 -3.203 13.702 105 H ILE 13 H ILE 13 88.384 -1.943 11.897 106 HA ILE 13 HA ILE 13 88.017 -0.411 14.454 107 HB ILE 13 HB ILE 13 87.206 0.382 11.639 108 1HG1 ILE 13 1HG1 ILE 13 89.590 1.344 13.249 109 2HG1 ILE 13 2HG1 ILE 13 89.698 0.150 11.955 110 1HG2 ILE 13 1HG2 ILE 13 87.172 1.702 14.343 111 2HG2 ILE 13 2HG2 ILE 13 87.300 2.684 12.883 112 3HG2 ILE 13 3HG2 ILE 13 85.899 1.640 13.125 113 1HD1 ILE 13 1HD1 ILE 13 88.579 2.949 11.627 114 2HD1 ILE 13 2HD1 ILE 13 90.210 2.461 11.166 115 3HD1 ILE 13 3HD1 ILE 13 88.815 1.761 10.346 116 HA PRO 14 HA PRO 14 84.375 -3.150 13.793 117 1HB PRO 14 1HB PRO 14 84.109 -3.832 16.432 118 2HB PRO 14 2HB PRO 14 85.178 -4.697 15.310 119 1HG PRO 14 1HG PRO 14 85.845 -2.656 17.365 120 2HG PRO 14 2HG PRO 14 86.743 -4.099 16.873 121 1HD PRO 14 1HD PRO 14 87.376 -1.560 16.070 122 2HD PRO 14 2HD PRO 14 87.777 -3.021 15.144 123 H SER 15 H SER 15 85.073 -0.529 16.033 124 HA SER 15 HA SER 15 82.288 -0.059 16.785 125 1HB SER 15 1HB SER 15 83.231 1.655 18.092 126 2HB SER 15 2HB SER 15 84.553 0.497 17.975 127 HG SER 15 HG SER 15 85.647 1.959 16.953 128 H SER 16 H SER 16 84.641 1.785 14.790 129 HA SER 16 HA SER 16 82.489 3.430 13.646 130 1HB SER 16 1HB SER 16 85.400 3.388 13.863 131 2HB SER 16 2HB SER 16 84.874 3.841 12.244 132 HG SER 16 HG SER 16 83.286 5.171 13.706 133 H GLU 17 H GLU 17 81.307 2.719 11.917 134 HA GLU 17 HA GLU 17 82.090 0.374 10.372 135 1HB GLU 17 1HB GLU 17 79.873 2.433 10.180 136 2HB GLU 17 2HB GLU 17 79.969 1.014 9.137 137 1HG GLU 17 1HG GLU 17 80.191 -0.301 11.396 138 2HG GLU 17 2HG GLU 17 79.473 1.149 12.098 139 HA PRO 18 HA PRO 18 84.247 2.470 7.162 140 1HB PRO 18 1HB PRO 18 83.892 0.673 5.131 141 2HB PRO 18 2HB PRO 18 84.985 0.379 6.499 142 1HG PRO 18 1HG PRO 18 82.257 -0.680 5.995 143 2HG PRO 18 2HG PRO 18 83.652 -1.461 6.753 144 1HD PRO 18 1HD PRO 18 81.514 -0.408 8.130 145 2HD PRO 18 2HD PRO 18 83.133 -0.654 8.818 146 H LEU 19 H LEU 19 80.910 1.461 6.717 147 HA LEU 19 HA LEU 19 80.560 3.146 4.309 148 1HB LEU 19 1HB LEU 19 78.636 1.473 5.959 149 2HB LEU 19 2HB LEU 19 78.300 2.156 4.366 150 HG LEU 19 HG LEU 19 80.701 0.386 4.774 151 1HD1 LEU 19 1HD1 LEU 19 77.861 -0.383 4.895 152 2HD1 LEU 19 2HD1 LEU 19 78.794 -1.278 3.695 153 3HD1 LEU 19 3HD1 LEU 19 79.293 -1.287 5.387 154 1HD2 LEU 19 1HD2 LEU 19 80.445 1.664 2.669 155 2HD2 LEU 19 2HD2 LEU 19 80.307 -0.070 2.380 156 3HD2 LEU 19 3HD2 LEU 19 78.859 0.934 2.422 157 H LEU 20 H LEU 20 80.500 3.586 7.666 158 HA LEU 20 HA LEU 20 78.380 5.668 7.594 159 1HB LEU 20 1HB LEU 20 80.042 4.344 9.753 160 2HB LEU 20 2HB LEU 20 78.923 5.666 10.089 161 HG LEU 20 HG LEU 20 78.251 2.952 8.923 162 1HD1 LEU 20 1HD1 LEU 20 78.203 4.127 11.572 163 2HD1 LEU 20 2HD1 LEU 20 76.575 3.664 11.073 164 3HD1 LEU 20 3HD1 LEU 20 77.867 2.463 11.089 165 1HD2 LEU 20 1HD2 LEU 20 76.850 5.564 8.812 166 2HD2 LEU 20 2HD2 LEU 20 76.696 4.160 7.758 167 3HD2 LEU 20 3HD2 LEU 20 75.858 4.194 9.309 168 H ASP 21 H ASP 21 81.892 5.335 8.072 169 HA ASP 21 HA ASP 21 82.162 8.256 7.562 170 1HB ASP 21 1HB ASP 21 83.739 8.295 9.584 171 2HB ASP 21 2HB ASP 21 82.019 8.151 9.946 172 H PHE 22 H PHE 22 82.850 6.279 5.733 173 HA PHE 22 HA PHE 22 85.744 6.699 5.486 174 1HB PHE 22 1HB PHE 22 84.480 4.072 6.240 175 2HB PHE 22 2HB PHE 22 85.979 4.091 5.312 176 HD1 PHE 22 HD1 PHE 22 87.855 5.715 6.243 177 HD2 PHE 22 HD2 PHE 22 84.596 4.154 8.565 178 HE1 PHE 22 HE1 PHE 22 89.133 6.142 8.325 179 HE2 PHE 22 HE2 PHE 22 85.874 4.581 10.648 180 HZ PHE 22 HZ PHE 22 88.143 5.575 10.526 181 H ASN 23 H ASN 23 83.288 7.261 3.918 182 HA ASN 23 HA ASN 23 84.019 5.753 1.431 183 1HB ASN 23 1HB ASN 23 81.965 4.821 2.247 184 2HB ASN 23 2HB ASN 23 81.317 6.418 2.623 185 1HD2 ASN 23 2HD2 ASN 23 81.807 4.081 0.048 186 2HD2 ASN 23 1HD2 ASN 23 81.006 4.962 -1.162 187 H ASN 24 H ASN 24 84.088 7.026 -0.438 188 HA ASN 24 HA ASN 24 84.392 9.056 -1.629 189 1HB ASN 24 1HB ASN 24 81.924 8.583 -1.555 190 2HB ASN 24 2HB ASN 24 81.811 9.633 -0.142 191 1HD2 ASN 24 2HD2 ASN 24 80.361 10.376 -2.412 192 2HD2 ASN 24 1HD2 ASN 24 81.083 11.728 -3.141 193 H TYR 25 H TYR 25 86.192 9.402 0.183 194 HA TYR 25 HA TYR 25 85.604 12.032 1.500 195 1HB TYR 25 1HB TYR 25 85.584 10.285 3.181 196 2HB TYR 25 2HB TYR 25 87.073 9.590 2.541 197 HD1 TYR 25 HD1 TYR 25 89.206 10.980 2.621 198 HD2 TYR 25 HD2 TYR 25 85.643 12.044 4.771 199 HE1 TYR 25 HE1 TYR 25 90.538 12.468 4.090 200 HE2 TYR 25 HE2 TYR 25 86.975 13.531 6.241 201 HH TYR 25 HH TYR 25 89.652 13.509 6.941 202 H GLY 26 H GLY 26 87.564 13.384 1.749 203 1HA GLY 26 1HA GLY 26 89.440 14.388 0.714 204 2HA GLY 26 2HA GLY 26 90.166 12.802 0.969 205 H CYS 27 H CYS 27 91.285 13.450 -1.113 206 HA CYS 27 HA CYS 27 89.580 13.156 -3.534 207 1HB CYS 27 1HB CYS 27 92.098 14.435 -2.765 208 2HB CYS 27 2HB CYS 27 92.227 13.561 -4.291 209 H TYR 28 H TYR 28 91.361 11.148 -1.480 210 HA TYR 28 HA TYR 28 91.958 9.247 -3.723 211 1HB TYR 28 1HB TYR 28 93.221 9.703 -1.005 212 2HB TYR 28 2HB TYR 28 93.636 8.347 -2.054 213 HD1 TYR 28 HD1 TYR 28 94.290 8.945 -4.517 214 HD2 TYR 28 HD2 TYR 28 94.345 11.743 -1.260 215 HE1 TYR 28 HE1 TYR 28 95.838 10.402 -5.795 216 HE2 TYR 28 HE2 TYR 28 95.892 13.201 -2.537 217 HH TYR 28 HH TYR 28 97.690 12.658 -4.545 218 H CYS 29 H CYS 29 90.344 9.692 -0.633 219 HA CYS 29 HA CYS 29 89.765 6.828 -0.292 220 1HB CYS 29 1HB CYS 29 88.747 9.326 1.101 221 2HB CYS 29 2HB CYS 29 88.532 7.673 1.680 222 H GLY 30 H GLY 30 88.681 6.655 -2.484 223 1HA GLY 30 1HA GLY 30 85.919 6.403 -2.348 224 2HA GLY 30 2HA GLY 30 86.173 8.049 -2.935 225 H LEU 31 H LEU 31 84.971 6.898 -4.828 226 HA LEU 31 HA LEU 31 86.675 5.190 -6.522 227 1HB LEU 31 1HB LEU 31 83.892 5.900 -6.190 228 2HB LEU 31 2HB LEU 31 84.360 6.098 -7.880 229 HG LEU 31 HG LEU 31 83.602 3.809 -7.529 230 1HD1 LEU 31 1HD1 LEU 31 85.740 4.407 -8.910 231 2HD1 LEU 31 2HD1 LEU 31 86.603 3.596 -7.604 232 3HD1 LEU 31 3HD1 LEU 31 85.406 2.713 -8.551 233 1HD2 LEU 31 1HD2 LEU 31 84.724 4.129 -4.996 234 2HD2 LEU 31 2HD2 LEU 31 84.059 2.633 -5.652 235 3HD2 LEU 31 3HD2 LEU 31 85.786 2.962 -5.782 236 H GLY 32 H GLY 32 85.942 8.564 -6.152 237 1HA GLY 32 1HA GLY 32 87.197 9.138 -8.805 238 2HA GLY 32 2HA GLY 32 86.089 10.234 -7.980 239 H GLY 33 H GLY 33 87.219 11.980 -7.290 240 1HA GLY 33 1HA GLY 33 88.885 13.253 -6.242 241 2HA GLY 33 2HA GLY 33 89.239 11.808 -5.293 242 H SER 34 H SER 34 91.036 13.836 -6.669 243 HA SER 34 HA SER 34 93.092 12.011 -7.523 244 1HB SER 34 1HB SER 34 92.971 12.333 -9.911 245 2HB SER 34 2HB SER 34 91.356 11.879 -9.378 246 HG SER 34 HG SER 34 90.863 13.655 -10.424 247 H GLY 35 H GLY 35 94.154 13.543 -6.022 248 1HA GLY 35 1HA GLY 35 95.819 15.425 -7.137 249 2HA GLY 35 2HA GLY 35 94.368 16.353 -6.762 250 H THR 36 H THR 36 96.095 17.424 -5.324 251 HA THR 36 HA THR 36 97.391 16.416 -3.124 252 HB THR 36 HB THR 36 95.722 18.890 -3.558 253 HG1 THR 36 HG1 THR 36 97.964 19.720 -3.352 254 1HG2 THR 36 1HG2 THR 36 96.932 17.903 -1.031 255 2HG2 THR 36 2HG2 THR 36 97.230 19.594 -1.433 256 3HG2 THR 36 3HG2 THR 36 95.576 19.003 -1.276 257 HA PRO 37 HA PRO 37 94.196 14.451 -0.747 258 1HB PRO 37 1HB PRO 37 95.715 13.938 1.472 259 2HB PRO 37 2HB PRO 37 95.843 12.992 -0.023 260 1HG PRO 37 1HG PRO 37 97.601 15.164 0.997 261 2HG PRO 37 2HG PRO 37 98.027 13.676 0.140 262 1HD PRO 37 1HD PRO 37 97.917 16.136 -1.047 263 2HD PRO 37 2HD PRO 37 97.668 14.605 -1.916 264 H VAL 38 H VAL 38 93.347 14.770 1.640 265 HA VAL 38 HA VAL 38 93.539 17.689 2.309 266 HB VAL 38 HB VAL 38 91.198 17.502 2.959 267 1HG1 VAL 38 1HG1 VAL 38 92.090 16.511 0.291 268 2HG1 VAL 38 2HG1 VAL 38 90.375 16.369 0.671 269 3HG1 VAL 38 3HG1 VAL 38 91.156 17.949 0.699 270 1HG2 VAL 38 1HG2 VAL 38 91.847 14.815 3.384 271 2HG2 VAL 38 2HG2 VAL 38 90.242 15.531 3.521 272 3HG2 VAL 38 3HG2 VAL 38 90.746 14.781 2.007 273 H ASP 39 H ASP 39 94.361 14.627 3.431 274 HA ASP 39 HA ASP 39 95.088 15.596 6.053 275 1HB ASP 39 1HB ASP 39 92.396 14.986 5.706 276 2HB ASP 39 2HB ASP 39 93.050 13.532 6.460 277 H ASP 40 H ASP 40 95.469 13.467 7.531 278 HA ASP 40 HA ASP 40 97.427 11.864 6.187 279 1HB ASP 40 1HB ASP 40 97.153 12.461 8.663 280 2HB ASP 40 2HB ASP 40 95.930 11.192 8.732 281 H LEU 41 H LEU 41 94.117 11.048 7.322 282 HA LEU 41 HA LEU 41 94.003 8.369 6.466 283 1HB LEU 41 1HB LEU 41 92.299 9.599 7.799 284 2HB LEU 41 2HB LEU 41 91.848 10.511 6.359 285 HG LEU 41 HG LEU 41 91.572 8.072 5.328 286 1HD1 LEU 41 1HD1 LEU 41 92.386 7.034 7.490 287 2HD1 LEU 41 2HD1 LEU 41 90.907 7.621 8.249 288 3HD1 LEU 41 3HD1 LEU 41 90.819 6.445 6.938 289 1HD2 LEU 41 1HD2 LEU 41 89.685 9.650 7.067 290 2HD2 LEU 41 2HD2 LEU 41 89.700 9.499 5.310 291 3HD2 LEU 41 3HD2 LEU 41 89.156 8.150 6.307 292 H ASP 42 H ASP 42 93.435 11.353 4.595 293 HA ASP 42 HA ASP 42 92.567 10.170 2.161 294 1HB ASP 42 1HB ASP 42 92.932 12.668 3.110 295 2HB ASP 42 2HB ASP 42 94.383 12.538 2.115 296 H ARG 43 H ARG 43 95.813 10.670 3.490 297 HA ARG 43 HA ARG 43 97.326 9.979 1.143 298 1HB ARG 43 1HB ARG 43 98.146 9.235 3.939 299 2HB ARG 43 2HB ARG 43 99.148 9.862 2.637 300 1HG ARG 43 1HG ARG 43 97.801 12.037 2.857 301 2HG ARG 43 2HG ARG 43 97.201 11.377 4.381 302 1HD ARG 43 1HD ARG 43 100.084 11.949 3.652 303 2HD ARG 43 2HD ARG 43 99.137 12.663 4.967 304 HE ARG 43 HE ARG 43 99.077 9.865 5.292 305 1HH1 ARG 43 1HH1 ARG 43 100.175 12.300 7.015 306 2HH1 ARG 43 2HH1 ARG 43 101.725 11.649 7.432 307 1HH2 ARG 43 1HH2 ARG 43 101.564 9.079 5.108 308 2HH2 ARG 43 2HH2 ARG 43 102.511 9.825 6.351 309 H CYS 44 H CYS 44 95.982 8.105 3.819 310 HA CYS 44 HA CYS 44 97.048 5.583 3.342 311 1HB CYS 44 1HB CYS 44 94.188 6.284 4.086 312 2HB CYS 44 2HB CYS 44 95.033 4.796 4.497 313 H CYS 45 H CYS 45 94.253 7.160 1.850 314 HA CYS 45 HA CYS 45 93.567 4.935 0.108 315 1HB CYS 45 1HB CYS 45 92.898 7.895 -0.025 316 2HB CYS 45 2HB CYS 45 92.022 6.597 -0.837 317 H GLN 46 H GLN 46 95.237 8.068 -0.401 318 HA GLN 46 HA GLN 46 95.756 7.916 -3.152 319 1HB GLN 46 1HB GLN 46 96.296 9.787 -1.591 320 2HB GLN 46 2HB GLN 46 97.613 8.821 -0.926 321 1HG GLN 46 1HG GLN 46 98.225 8.651 -3.550 322 2HG GLN 46 2HG GLN 46 97.431 10.224 -3.539 323 1HE2 GLN 46 2HE2 GLN 46 99.898 10.701 -4.101 324 2HE2 GLN 46 1HE2 GLN 46 100.868 11.083 -2.769 325 H THR 47 H THR 47 97.429 6.342 -0.460 326 HA THR 47 HA THR 47 99.520 5.159 -2.049 327 HB THR 47 HB THR 47 98.381 4.315 0.628 328 HG1 THR 47 HG1 THR 47 99.435 5.949 1.488 329 1HG2 THR 47 1HG2 THR 47 100.174 2.944 -0.735 330 2HG2 THR 47 2HG2 THR 47 101.270 4.201 -0.165 331 3HG2 THR 47 3HG2 THR 47 100.392 3.204 0.994 332 H HIS 48 H HIS 48 96.270 4.215 -1.091 333 HA HIS 48 HA HIS 48 96.363 1.425 -1.663 334 1HB HIS 48 1HB HIS 48 94.537 2.675 -0.520 335 2HB HIS 48 2HB HIS 48 94.132 3.455 -2.047 336 HD1 HIS 48 HD1 HIS 48 92.532 2.236 -3.536 337 HD2 HIS 48 HD2 HIS 48 94.205 -0.287 -0.670 338 HE1 HIS 48 HE1 HIS 48 91.365 0.001 -3.781 339 H ASP 49 H ASP 49 95.472 4.189 -3.726 340 HA ASP 49 HA ASP 49 95.025 2.731 -6.123 341 1HB ASP 49 1HB ASP 49 95.644 5.538 -5.301 342 2HB ASP 49 2HB ASP 49 95.776 5.141 -7.014 343 H ASN 50 H ASN 50 97.912 4.466 -4.947 344 HA ASN 50 HA ASN 50 99.670 3.890 -7.073 345 1HB ASN 50 1HB ASN 50 99.851 4.528 -4.158 346 2HB ASN 50 2HB ASN 50 101.325 4.001 -4.969 347 1HD2 ASN 50 2HD2 ASN 50 99.266 6.703 -4.442 348 2HD2 ASN 50 1HD2 ASN 50 99.964 7.745 -5.586 349 H CYS 51 H CYS 51 98.659 1.930 -4.316 350 HA CYS 51 HA CYS 51 100.643 -0.163 -4.701 351 1HB CYS 51 1HB CYS 51 99.205 0.526 -2.634 352 2HB CYS 51 2HB CYS 51 97.946 -0.458 -3.378 353 H TYR 52 H TYR 52 97.372 0.483 -5.868 354 HA TYR 52 HA TYR 52 96.867 -2.133 -6.993 355 1HB TYR 52 1HB TYR 52 95.777 0.652 -7.198 356 2HB TYR 52 2HB TYR 52 95.266 -0.535 -8.399 357 HD1 TYR 52 HD1 TYR 52 96.227 -1.480 -4.970 358 HD2 TYR 52 HD2 TYR 52 92.955 -0.644 -7.624 359 HE1 TYR 52 HE1 TYR 52 94.648 -2.465 -3.331 360 HE2 TYR 52 HE2 TYR 52 91.375 -1.626 -5.985 361 HH TYR 52 HH TYR 52 91.187 -2.787 -4.082 362 H LYS 53 H LYS 53 98.637 0.691 -8.054 363 HA LYS 53 HA LYS 53 98.754 -0.045 -10.884 364 1HB LYS 53 1HB LYS 53 100.761 1.674 -9.420 365 2HB LYS 53 2HB LYS 53 100.129 1.874 -11.052 366 1HG LYS 53 1HG LYS 53 97.983 2.002 -9.121 367 2HG LYS 53 2HG LYS 53 99.239 3.164 -8.722 368 1HD LYS 53 1HD LYS 53 97.537 4.104 -10.284 369 2HD LYS 53 2HD LYS 53 99.158 4.087 -10.980 370 1HE LYS 53 1HE LYS 53 97.706 3.225 -12.691 371 2HE LYS 53 2HE LYS 53 98.512 1.803 -12.000 372 1HZ LYS 53 1HZ LYS 53 95.904 2.874 -11.066 373 2HZ LYS 53 2HZ LYS 53 96.068 1.555 -12.120 374 3HZ LYS 53 3HZ LYS 53 96.666 1.452 -10.533 375 H GLN 54 H GLN 54 101.132 0.070 -8.263 376 HA GLN 54 HA GLN 54 103.239 -1.340 -9.469 377 1HB GLN 54 1HB GLN 54 102.207 -1.182 -6.627 378 2HB GLN 54 2HB GLN 54 103.734 -1.963 -7.030 379 1HG GLN 54 1HG GLN 54 104.742 0.037 -7.681 380 2HG GLN 54 2HG GLN 54 103.198 0.817 -8.029 381 1HE2 GLN 54 2HE2 GLN 54 104.575 2.452 -6.499 382 2HE2 GLN 54 1HE2 GLN 54 104.187 2.342 -4.851 383 H ALA 55 H ALA 55 100.281 -2.515 -7.969 384 HA ALA 55 HA ALA 55 100.935 -5.296 -7.781 385 1HB ALA 55 1HB ALA 55 98.955 -3.777 -6.902 386 2HB ALA 55 2HB ALA 55 98.177 -4.284 -8.402 387 3HB ALA 55 3HB ALA 55 98.677 -5.490 -7.216 388 H LYS 56 H LYS 56 99.436 -3.378 -10.391 389 HA LYS 56 HA LYS 56 98.936 -5.614 -12.142 390 1HB LYS 56 1HB LYS 56 99.041 -2.629 -12.272 391 2HB LYS 56 2HB LYS 56 99.085 -3.507 -13.802 392 1HG LYS 56 1HG LYS 56 97.076 -4.568 -11.958 393 2HG LYS 56 2HG LYS 56 96.793 -2.876 -12.369 394 1HD LYS 56 1HD LYS 56 97.374 -4.992 -14.454 395 2HD LYS 56 2HD LYS 56 95.737 -4.571 -13.949 396 1HE LYS 56 1HE LYS 56 95.781 -2.844 -15.414 397 2HE LYS 56 2HE LYS 56 97.101 -2.122 -14.472 398 1HZ LYS 56 1HZ LYS 56 97.516 -4.316 -16.425 399 2HZ LYS 56 2HZ LYS 56 97.671 -2.678 -16.839 400 3HZ LYS 56 3HZ LYS 56 98.701 -3.359 -15.672 401 H LYS 57 H LYS 57 101.678 -3.404 -11.712 402 HA LYS 57 HA LYS 57 103.191 -4.135 -13.988 403 1HB LYS 57 1HB LYS 57 103.416 -2.576 -11.621 404 2HB LYS 57 2HB LYS 57 104.850 -3.601 -11.700 405 1HG LYS 57 1HG LYS 57 104.834 -2.843 -14.246 406 2HG LYS 57 2HG LYS 57 103.932 -1.474 -13.596 407 1HD LYS 57 1HD LYS 57 106.594 -2.416 -12.495 408 2HD LYS 57 2HD LYS 57 106.420 -1.103 -13.661 409 1HE LYS 57 1HE LYS 57 104.701 -0.141 -11.908 410 2HE LYS 57 2HE LYS 57 105.582 -1.185 -10.774 411 1HZ LYS 57 1HZ LYS 57 107.601 -0.147 -12.148 412 2HZ LYS 57 2HZ LYS 57 106.509 1.151 -12.241 413 3HZ LYS 57 3HZ LYS 57 106.999 0.557 -10.727 414 H LEU 58 H LEU 58 102.935 -5.614 -10.770 415 HA LEU 58 HA LEU 58 105.046 -7.379 -10.665 416 1HB LEU 58 1HB LEU 58 102.204 -7.369 -9.840 417 2HB LEU 58 2HB LEU 58 102.969 -8.956 -9.855 418 HG LEU 58 HG LEU 58 104.577 -6.777 -8.652 419 1HD1 LEU 58 1HD1 LEU 58 101.914 -7.668 -7.582 420 2HD1 LEU 58 2HD1 LEU 58 103.216 -7.277 -6.458 421 3HD1 LEU 58 3HD1 LEU 58 102.627 -6.056 -7.586 422 1HD2 LEU 58 1HD2 LEU 58 104.621 -9.554 -8.755 423 2HD2 LEU 58 2HD2 LEU 58 105.577 -8.553 -7.662 424 3HD2 LEU 58 3HD2 LEU 58 104.034 -9.217 -7.126 425 H ASP 59 H ASP 59 105.827 -8.881 -12.093 426 HA ASP 59 HA ASP 59 104.841 -9.538 -14.597 427 1HB ASP 59 1HB ASP 59 106.714 -10.596 -12.641 428 2HB ASP 59 2HB ASP 59 105.987 -11.898 -13.584 429 H SER 60 H SER 60 104.448 -11.745 -11.798 430 HA SER 60 HA SER 60 102.626 -13.543 -12.833 431 1HB SER 60 1HB SER 60 103.745 -13.332 -10.516 432 2HB SER 60 2HB SER 60 102.355 -12.344 -10.073 433 HG SER 60 HG SER 60 101.212 -14.310 -11.126 434 H CYS 61 H CYS 61 101.800 -10.419 -11.283 435 HA CYS 61 HA CYS 61 98.959 -10.642 -11.635 436 1HB CYS 61 1HB CYS 61 100.893 -8.334 -11.303 437 2HB CYS 61 2HB CYS 61 99.142 -8.120 -11.294 438 H LYS 62 H LYS 62 101.492 -9.081 -13.611 439 HA LYS 62 HA LYS 62 99.730 -7.988 -15.595 440 1HB LYS 62 1HB LYS 62 102.139 -7.408 -15.098 441 2HB LYS 62 2HB LYS 62 102.602 -8.916 -15.886 442 1HG LYS 62 1HG LYS 62 100.929 -7.842 -17.761 443 2HG LYS 62 2HG LYS 62 101.653 -6.386 -17.076 444 1HD LYS 62 1HD LYS 62 103.901 -7.718 -17.322 445 2HD LYS 62 2HD LYS 62 102.989 -8.670 -18.495 446 1HE LYS 62 1HE LYS 62 102.777 -6.895 -19.977 447 2HE LYS 62 2HE LYS 62 102.853 -5.677 -18.686 448 1HZ LYS 62 1HZ LYS 62 105.193 -6.594 -18.298 449 2HZ LYS 62 2HZ LYS 62 105.056 -7.265 -19.854 450 3HZ LYS 62 3HZ LYS 62 104.959 -5.585 -19.645 451 H VAL 63 H VAL 63 100.482 -11.226 -14.899 452 HA VAL 63 HA VAL 63 99.776 -12.057 -17.696 453 HB VAL 63 HB VAL 63 102.082 -12.595 -16.864 454 1HG1 VAL 63 1HG1 VAL 63 100.446 -13.987 -14.749 455 2HG1 VAL 63 2HG1 VAL 63 102.065 -14.556 -15.154 456 3HG1 VAL 63 3HG1 VAL 63 101.833 -12.917 -14.543 457 1HG2 VAL 63 1HG2 VAL 63 100.526 -14.096 -18.404 458 2HG2 VAL 63 2HG2 VAL 63 102.084 -14.705 -17.846 459 3HG2 VAL 63 3HG2 VAL 63 100.601 -15.199 -17.030 460 H LEU 64 H LEU 64 97.936 -11.427 -15.409 461 HA LEU 64 HA LEU 64 96.762 -14.151 -14.962 462 1HB LEU 64 1HB LEU 64 96.950 -11.602 -13.392 463 2HB LEU 64 2HB LEU 64 95.556 -12.648 -13.120 464 HG LEU 64 HG LEU 64 98.414 -13.646 -13.036 465 1HD1 LEU 64 1HD1 LEU 64 97.196 -11.912 -11.203 466 2HD1 LEU 64 2HD1 LEU 64 97.023 -13.513 -10.483 467 3HD1 LEU 64 3HD1 LEU 64 98.622 -12.908 -10.913 468 1HD2 LEU 64 1HD2 LEU 64 95.729 -14.820 -12.782 469 2HD2 LEU 64 2HD2 LEU 64 97.270 -15.608 -13.122 470 3HD2 LEU 64 3HD2 LEU 64 96.811 -15.247 -11.457 471 H VAL 65 H VAL 65 95.340 -10.900 -14.746 472 HA VAL 65 HA VAL 65 93.684 -11.346 -17.100 473 HB VAL 65 HB VAL 65 92.636 -11.172 -14.285 474 1HG1 VAL 65 1HG1 VAL 65 91.346 -10.809 -16.942 475 2HG1 VAL 65 2HG1 VAL 65 90.454 -11.772 -15.764 476 3HG1 VAL 65 3HG1 VAL 65 90.914 -10.113 -15.381 477 1HG2 VAL 65 1HG2 VAL 65 92.763 -13.385 -16.337 478 2HG2 VAL 65 2HG2 VAL 65 93.340 -13.405 -14.669 479 3HG2 VAL 65 3HG2 VAL 65 91.607 -13.431 -15.004 480 H ASP 66 H ASP 66 95.600 -9.429 -15.812 481 HA ASP 66 HA ASP 66 95.901 -7.084 -15.587 482 1HB ASP 66 1HB ASP 66 93.756 -7.238 -17.729 483 2HB ASP 66 2HB ASP 66 94.896 -5.912 -17.497 484 H ASN 67 H ASN 67 94.452 -4.922 -15.493 485 HA ASN 67 HA ASN 67 92.954 -3.717 -14.116 486 1HB ASN 67 1HB ASN 67 91.640 -4.901 -16.017 487 2HB ASN 67 2HB ASN 67 91.072 -5.986 -14.749 488 1HD2 ASN 67 2HD2 ASN 67 88.870 -5.013 -15.209 489 2HD2 ASN 67 1HD2 ASN 67 88.475 -3.523 -14.497 490 HA PRO 68 HA PRO 68 93.537 -6.205 -10.367 491 1HB PRO 68 1HB PRO 68 93.819 -4.042 -8.712 492 2HB PRO 68 2HB PRO 68 95.154 -4.694 -9.685 493 1HG PRO 68 1HG PRO 68 93.419 -2.330 -10.197 494 2HG PRO 68 2HG PRO 68 95.155 -2.536 -10.476 495 1HD PRO 68 1HD PRO 68 93.288 -2.691 -12.456 496 2HD PRO 68 2HD PRO 68 94.840 -3.556 -12.504 497 H TYR 69 H TYR 69 91.037 -6.348 -11.148 498 HA TYR 69 HA TYR 69 89.431 -5.235 -8.884 499 1HB TYR 69 1HB TYR 69 89.381 -4.490 -11.666 500 2HB TYR 69 2HB TYR 69 87.843 -5.241 -11.243 501 HD1 TYR 69 HD1 TYR 69 90.303 -2.760 -9.845 502 HD2 TYR 69 HD2 TYR 69 86.185 -3.905 -10.273 503 HE1 TYR 69 HE1 TYR 69 89.605 -0.685 -8.679 504 HE2 TYR 69 HE2 TYR 69 85.487 -1.830 -9.107 505 HH TYR 69 HH TYR 69 87.316 -0.069 -7.237 506 H THR 70 H THR 70 89.042 -7.269 -11.814 507 HA THR 70 HA THR 70 87.025 -8.959 -10.827 508 HB THR 70 HB THR 70 88.054 -10.532 -12.594 509 HG1 THR 70 HG1 THR 70 90.105 -9.984 -12.774 510 1HG2 THR 70 1HG2 THR 70 87.417 -7.653 -13.295 511 2HG2 THR 70 2HG2 THR 70 87.426 -8.994 -14.441 512 3HG2 THR 70 3HG2 THR 70 86.251 -8.966 -13.127 513 H ASN 71 H ASN 71 90.366 -8.802 -9.981 514 HA ASN 71 HA ASN 71 90.881 -11.511 -9.232 515 1HB ASN 71 1HB ASN 71 92.555 -9.704 -9.483 516 2HB ASN 71 2HB ASN 71 91.886 -8.897 -8.063 517 1HD2 ASN 71 2HD2 ASN 71 92.083 -10.067 -5.954 518 2HD2 ASN 71 1HD2 ASN 71 93.319 -11.212 -5.744 519 H ASN 72 H ASN 72 90.668 -12.552 -7.188 520 HA ASN 72 HA ASN 72 89.097 -11.129 -5.086 521 1HB ASN 72 1HB ASN 72 87.449 -12.256 -6.424 522 2HB ASN 72 2HB ASN 72 88.431 -13.719 -6.508 523 1HD2 ASN 72 2HD2 ASN 72 88.217 -15.238 -4.808 524 2HD2 ASN 72 1HD2 ASN 72 87.246 -14.989 -3.439 525 H TYR 73 H TYR 73 90.615 -11.248 -3.440 526 HA TYR 73 HA TYR 73 92.060 -13.827 -3.008 527 1HB TYR 73 1HB TYR 73 93.515 -12.381 -1.597 528 2HB TYR 73 2HB TYR 73 93.360 -11.745 -3.236 529 HD1 TYR 73 HD1 TYR 73 91.883 -11.468 0.190 530 HD2 TYR 73 HD2 TYR 73 92.567 -9.562 -3.597 531 HE1 TYR 73 HE1 TYR 73 90.975 -9.345 1.095 532 HE2 TYR 73 HE2 TYR 73 91.660 -7.438 -2.694 533 HH TYR 73 HH TYR 73 91.480 -6.448 -0.166 534 H SER 74 H SER 74 91.971 -14.843 -0.935 535 HA SER 74 HA SER 74 89.536 -14.199 0.644 536 1HB SER 74 1HB SER 74 91.492 -16.519 0.736 537 2HB SER 74 2HB SER 74 89.941 -16.447 1.567 538 HG SER 74 HG SER 74 90.450 -17.219 -0.917 539 H TYR 75 H TYR 75 89.662 -13.868 2.942 540 HA TYR 75 HA TYR 75 92.347 -13.607 4.176 541 1HB TYR 75 1HB TYR 75 92.107 -11.271 4.593 542 2HB TYR 75 2HB TYR 75 91.637 -11.482 2.906 543 HD1 TYR 75 HD1 TYR 75 89.242 -11.417 2.243 544 HD2 TYR 75 HD2 TYR 75 90.471 -10.685 6.294 545 HE1 TYR 75 HE1 TYR 75 87.012 -10.457 2.746 546 HE2 TYR 75 HE2 TYR 75 88.240 -9.723 6.796 547 HH TYR 75 HH TYR 75 85.610 -10.214 5.121 548 H SER 76 H SER 76 91.707 -12.383 6.502 549 HA SER 76 HA SER 76 89.193 -13.394 7.632 550 1HB SER 76 1HB SER 76 91.123 -15.233 7.404 551 2HB SER 76 2HB SER 76 91.684 -14.473 8.890 552 HG SER 76 HG SER 76 89.713 -16.215 8.569 553 H CYS 77 H CYS 77 89.225 -12.918 10.103 554 HA CYS 77 HA CYS 77 90.965 -10.529 10.636 555 1HB CYS 77 1HB CYS 77 88.746 -9.779 10.165 556 2HB CYS 77 2HB CYS 77 88.035 -11.053 11.145 557 H SER 78 H SER 78 91.161 -10.098 12.984 558 HA SER 78 HA SER 78 90.484 -11.820 15.103 559 1HB SER 78 1HB SER 78 92.395 -12.916 13.218 560 2HB SER 78 2HB SER 78 93.125 -12.782 14.815 561 HG SER 78 HG SER 78 91.728 -14.723 14.159 562 H ASN 79 H ASN 79 91.274 -10.910 17.009 563 HA ASN 79 HA ASN 79 92.317 -9.243 18.329 564 1HB ASN 79 1HB ASN 79 94.688 -9.928 16.577 565 2HB ASN 79 2HB ASN 79 94.697 -9.493 18.286 566 1HD2 ASN 79 2HD2 ASN 79 93.651 -11.109 19.806 567 2HD2 ASN 79 1HD2 ASN 79 93.662 -12.752 19.381 568 H ASN 80 H ASN 80 90.895 -8.023 16.318 569 HA ASN 80 HA ASN 80 90.768 -6.131 14.953 570 1HB ASN 80 1HB ASN 80 92.961 -5.224 16.809 571 2HB ASN 80 2HB ASN 80 91.689 -4.261 16.095 572 1HD2 ASN 80 2HD2 ASN 80 89.578 -6.167 16.598 573 2HD2 ASN 80 1HD2 ASN 80 89.338 -6.153 18.262 574 H GLU 81 H GLU 81 92.437 -8.135 13.919 575 HA GLU 81 HA GLU 81 94.387 -6.486 12.428 576 1HB GLU 81 1HB GLU 81 94.789 -9.121 13.829 577 2HB GLU 81 2HB GLU 81 95.864 -8.596 12.532 578 1HG GLU 81 1HG GLU 81 95.607 -6.354 14.173 579 2HG GLU 81 2HG GLU 81 95.747 -7.706 15.290 580 H ILE 82 H ILE 82 94.836 -7.293 10.285 581 HA ILE 82 HA ILE 82 92.560 -8.854 9.168 582 HB ILE 82 HB ILE 82 94.738 -7.090 8.019 583 1HG1 ILE 82 1HG1 ILE 82 91.720 -6.798 8.153 584 2HG1 ILE 82 2HG1 ILE 82 92.862 -5.988 9.226 585 1HG2 ILE 82 1HG2 ILE 82 92.953 -9.051 6.724 586 2HG2 ILE 82 2HG2 ILE 82 92.912 -7.440 6.007 587 3HG2 ILE 82 3HG2 ILE 82 94.439 -8.315 6.125 588 1HD1 ILE 82 1HD1 ILE 82 92.864 -5.705 6.208 589 2HD1 ILE 82 2HD1 ILE 82 92.122 -4.549 7.314 590 3HD1 ILE 82 3HD1 ILE 82 93.866 -4.811 7.351 591 H THR 83 H THR 83 92.835 -10.875 8.324 592 HA THR 83 HA THR 83 95.617 -11.992 8.247 593 HB THR 83 HB THR 83 92.935 -12.946 9.160 594 HG1 THR 83 HG1 THR 83 94.075 -13.410 10.889 595 1HG2 THR 83 1HG2 THR 83 94.993 -14.683 7.806 596 2HG2 THR 83 2HG2 THR 83 93.938 -15.334 9.063 597 3HG2 THR 83 3HG2 THR 83 93.243 -14.671 7.583 598 H CYS 84 H CYS 84 96.284 -12.871 6.286 599 HA CYS 84 HA CYS 84 94.212 -13.185 4.136 600 1HB CYS 84 1HB CYS 84 96.407 -11.384 4.342 601 2HB CYS 84 2HB CYS 84 96.828 -12.568 3.105 602 H SER 85 H SER 85 94.290 -15.160 3.104 603 HA SER 85 HA SER 85 95.620 -17.413 4.026 604 1HB SER 85 1HB SER 85 95.308 -17.078 1.074 605 2HB SER 85 2HB SER 85 94.772 -18.396 2.112 606 HG SER 85 HG SER 85 92.909 -17.433 2.028 607 H SER 86 H SER 86 97.573 -18.523 3.356 608 HA SER 86 HA SER 86 99.780 -16.692 2.664 609 1HB SER 86 1HB SER 86 101.147 -18.545 3.372 610 2HB SER 86 2HB SER 86 99.775 -18.485 4.475 611 HG SER 86 HG SER 86 99.529 -20.489 3.873 612 H GLU 87 H GLU 87 98.020 -19.406 1.229 613 HA GLU 87 HA GLU 87 99.686 -20.053 -0.948 614 1HB GLU 87 1HB GLU 87 96.758 -20.046 -0.337 615 2HB GLU 87 2HB GLU 87 97.242 -20.351 -2.004 616 1HG GLU 87 1HG GLU 87 98.826 -22.118 -1.124 617 2HG GLU 87 2HG GLU 87 98.074 -21.904 0.458 618 H ASN 88 H ASN 88 97.818 -17.183 -0.347 619 HA ASN 88 HA ASN 88 97.242 -16.096 -2.815 620 1HB ASN 88 1HB ASN 88 98.449 -14.912 -0.309 621 2HB ASN 88 2HB ASN 88 97.929 -13.902 -1.658 622 1HD2 ASN 88 2HD2 ASN 88 96.499 -13.386 0.563 623 2HD2 ASN 88 1HD2 ASN 88 94.972 -14.128 0.531 624 H ASN 89 H ASN 89 98.596 -16.392 -4.586 625 HA ASN 89 HA ASN 89 101.440 -16.465 -4.550 626 1HB ASN 89 1HB ASN 89 101.077 -15.914 -7.030 627 2HB ASN 89 2HB ASN 89 100.208 -17.319 -6.414 628 1HD2 ASN 89 2HD2 ASN 89 98.808 -16.660 -8.439 629 2HD2 ASN 89 1HD2 ASN 89 97.539 -15.574 -8.143 630 H ALA 90 H ALA 90 102.649 -14.695 -6.025 631 HA ALA 90 HA ALA 90 103.084 -12.380 -4.575 632 1HB ALA 90 1HB ALA 90 103.540 -13.383 -7.287 633 2HB ALA 90 2HB ALA 90 103.461 -11.623 -7.223 634 3HB ALA 90 3HB ALA 90 104.631 -12.489 -6.229 635 H CYS 91 H CYS 91 100.497 -12.972 -6.907 636 HA CYS 91 HA CYS 91 99.650 -10.170 -7.008 637 1HB CYS 91 1HB CYS 91 99.371 -12.412 -8.569 638 2HB CYS 91 2HB CYS 91 97.784 -12.313 -7.806 639 H GLU 92 H GLU 92 98.056 -13.155 -5.797 640 HA GLU 92 HA GLU 92 95.923 -11.892 -4.432 641 1HB GLU 92 1HB GLU 92 97.459 -14.437 -3.802 642 2HB GLU 92 2HB GLU 92 95.850 -14.052 -3.193 643 1HG GLU 92 1HG GLU 92 96.280 -13.900 -6.142 644 2HG GLU 92 2HG GLU 92 96.189 -15.502 -5.411 645 H ALA 93 H ALA 93 99.293 -12.252 -3.548 646 HA ALA 93 HA ALA 93 98.836 -11.512 -0.729 647 1HB ALA 93 1HB ALA 93 100.702 -12.979 -2.094 648 2HB ALA 93 2HB ALA 93 101.553 -11.448 -1.895 649 3HB ALA 93 3HB ALA 93 100.960 -12.318 -0.481 650 H PHE 94 H PHE 94 100.492 -10.067 -3.566 651 HA PHE 94 HA PHE 94 101.147 -7.578 -2.328 652 1HB PHE 94 1HB PHE 94 101.967 -8.608 -4.516 653 2HB PHE 94 2HB PHE 94 100.452 -8.063 -5.238 654 HD1 PHE 94 HD1 PHE 94 103.533 -6.916 -3.496 655 HD2 PHE 94 HD2 PHE 94 100.103 -5.773 -5.815 656 HE1 PHE 94 HE1 PHE 94 104.486 -4.645 -3.784 657 HE2 PHE 94 HE2 PHE 94 101.056 -3.500 -6.103 658 HZ PHE 94 HZ PHE 94 103.247 -2.937 -5.088 659 H ILE 95 H ILE 95 98.258 -8.631 -4.133 660 HA ILE 95 HA ILE 95 96.936 -6.076 -4.164 661 HB ILE 95 HB ILE 95 95.916 -8.935 -4.237 662 1HG1 ILE 95 1HG1 ILE 95 96.561 -6.942 -6.435 663 2HG1 ILE 95 2HG1 ILE 95 97.515 -8.368 -6.029 664 1HG2 ILE 95 1HG2 ILE 95 94.292 -6.929 -3.696 665 2HG2 ILE 95 2HG2 ILE 95 94.476 -6.577 -5.415 666 3HG2 ILE 95 3HG2 ILE 95 93.827 -8.133 -4.898 667 1HD1 ILE 95 1HD1 ILE 95 95.094 -9.525 -6.346 668 2HD1 ILE 95 2HD1 ILE 95 94.921 -8.171 -7.463 669 3HD1 ILE 95 3HD1 ILE 95 96.239 -9.326 -7.672 670 H CYS 96 H CYS 96 96.708 -8.875 -1.948 671 HA CYS 96 HA CYS 96 94.734 -7.767 -0.193 672 1HB CYS 96 1HB CYS 96 95.207 -10.106 -0.139 673 2HB CYS 96 2HB CYS 96 96.938 -9.828 0.050 674 H ASN 97 H ASN 97 98.230 -7.377 -0.420 675 HA ASN 97 HA ASN 97 98.632 -6.158 2.168 676 1HB ASN 97 1HB ASN 97 100.085 -6.458 -0.432 677 2HB ASN 97 2HB ASN 97 100.689 -5.263 0.714 678 1HD2 ASN 97 2HD2 ASN 97 102.465 -7.208 0.392 679 2HD2 ASN 97 1HD2 ASN 97 102.419 -8.350 1.640 680 H CYS 98 H CYS 98 97.703 -4.932 -1.016 681 HA CYS 98 HA CYS 98 98.102 -2.129 -0.461 682 1HB CYS 98 1HB CYS 98 96.237 -3.598 -2.357 683 2HB CYS 98 2HB CYS 98 96.648 -1.887 -2.466 684 H ASP 99 H ASP 99 95.246 -4.268 -0.259 685 HA ASP 99 HA ASP 99 93.451 -2.198 0.679 686 1HB ASP 99 1HB ASP 99 93.411 -5.232 0.770 687 2HB ASP 99 2HB ASP 99 92.027 -4.215 1.173 688 H ARG 100 H ARG 100 95.417 -4.700 2.284 689 HA ARG 100 HA ARG 100 94.426 -4.308 4.942 690 1HB ARG 100 1HB ARG 100 95.854 -6.184 3.967 691 2HB ARG 100 2HB ARG 100 97.230 -5.086 4.094 692 1HG ARG 100 1HG ARG 100 96.534 -4.796 6.563 693 2HG ARG 100 2HG ARG 100 95.542 -6.234 6.317 694 1HD ARG 100 1HD ARG 100 98.175 -6.700 5.233 695 2HD ARG 100 2HD ARG 100 98.302 -6.179 6.921 696 HE ARG 100 HE ARG 100 96.171 -7.989 6.789 697 1HH1 ARG 100 1HH1 ARG 100 99.444 -7.803 7.457 698 2HH1 ARG 100 2HH1 ARG 100 99.747 -9.505 7.344 699 1HH2 ARG 100 1HH2 ARG 100 96.590 -10.254 6.118 700 2HH2 ARG 100 2HH2 ARG 100 98.131 -10.894 6.585 701 H ASN 101 H ASN 101 97.285 -2.940 3.281 702 HA ASN 101 HA ASN 101 98.212 -1.293 5.406 703 1HB ASN 101 1HB ASN 101 98.419 -1.413 2.427 704 2HB ASN 101 2HB ASN 101 98.983 0.055 3.220 705 1HD2 ASN 101 2HD2 ASN 101 101.031 -1.167 2.102 706 2HD2 ASN 101 1HD2 ASN 101 101.926 -2.108 3.190 707 H ALA 102 H ALA 102 95.691 -0.775 2.974 708 HA ALA 102 HA ALA 102 95.285 2.043 3.516 709 1HB ALA 102 1HB ALA 102 94.475 0.127 1.673 710 2HB ALA 102 2HB ALA 102 92.991 0.490 2.552 711 3HB ALA 102 3HB ALA 102 93.878 1.785 1.749 712 H ALA 103 H ALA 103 93.490 -0.904 4.499 713 HA ALA 103 HA ALA 103 91.607 0.434 6.196 714 1HB ALA 103 1HB ALA 103 92.190 -2.148 5.275 715 2HB ALA 103 2HB ALA 103 92.354 -2.260 7.026 716 3HB ALA 103 3HB ALA 103 90.840 -1.696 6.317 717 H ILE 104 H ILE 104 94.735 -1.148 6.889 718 HA ILE 104 HA ILE 104 94.755 -0.780 9.712 719 HB ILE 104 HB ILE 104 96.920 -0.891 7.592 720 1HG1 ILE 104 1HG1 ILE 104 95.917 -2.954 9.580 721 2HG1 ILE 104 2HG1 ILE 104 95.457 -2.895 7.878 722 1HG2 ILE 104 1HG2 ILE 104 97.069 -0.569 10.554 723 2HG2 ILE 104 2HG2 ILE 104 98.199 -1.701 9.809 724 3HG2 ILE 104 3HG2 ILE 104 98.183 -0.011 9.306 725 1HD1 ILE 104 1HD1 ILE 104 98.335 -3.075 8.801 726 2HD1 ILE 104 2HD1 ILE 104 97.357 -4.493 8.424 727 3HD1 ILE 104 3HD1 ILE 104 97.713 -3.308 7.166 728 H CYS 105 H CYS 105 95.569 1.401 7.055 729 HA CYS 105 HA CYS 105 96.878 3.438 8.596 730 1HB CYS 105 1HB CYS 105 96.698 2.986 6.037 731 2HB CYS 105 2HB CYS 105 95.192 3.899 6.136 732 H PHE 106 H PHE 106 93.481 3.080 7.525 733 HA PHE 106 HA PHE 106 92.356 5.415 8.540 734 1HB PHE 106 1HB PHE 106 91.259 2.587 8.672 735 2HB PHE 106 2HB PHE 106 90.302 4.064 8.668 736 HD1 PHE 106 HD1 PHE 106 92.553 5.287 6.635 737 HD2 PHE 106 HD2 PHE 106 89.884 1.920 6.644 738 HE1 PHE 106 HE1 PHE 106 92.557 5.277 4.155 739 HE2 PHE 106 HE2 PHE 106 89.888 1.912 4.164 740 HZ PHE 106 HZ PHE 106 91.225 3.589 2.920 741 H SER 107 H SER 107 93.145 2.408 10.223 742 HA SER 107 HA SER 107 92.127 3.301 12.809 743 1HB SER 107 1HB SER 107 92.780 1.151 13.485 744 2HB SER 107 2HB SER 107 92.520 0.918 11.758 745 HG SER 107 HG SER 107 94.789 1.321 11.496 746 H LYS 108 H LYS 108 95.011 3.847 11.019 747 HA LYS 108 HA LYS 108 96.590 4.488 13.465 748 1HB LYS 108 1HB LYS 108 97.213 4.197 10.514 749 2HB LYS 108 2HB LYS 108 98.412 4.712 11.702 750 1HG LYS 108 1HG LYS 108 98.107 2.628 12.954 751 2HG LYS 108 2HG LYS 108 96.850 2.115 11.828 752 1HD LYS 108 1HD LYS 108 99.013 1.063 11.270 753 2HD LYS 108 2HD LYS 108 98.486 2.148 9.981 754 1HE LYS 108 1HE LYS 108 99.943 3.941 10.921 755 2HE LYS 108 2HE LYS 108 100.528 2.789 12.139 756 1HZ LYS 108 1HZ LYS 108 101.197 1.296 10.361 757 2HZ LYS 108 2HZ LYS 108 100.653 2.404 9.193 758 3HZ LYS 108 3HZ LYS 108 101.969 2.799 10.187 759 H VAL 109 H VAL 109 94.441 6.036 11.450 760 HA VAL 109 HA VAL 109 95.697 8.687 12.032 761 HB VAL 109 HB VAL 109 94.922 9.331 9.692 762 1HG1 VAL 109 1HG1 VAL 109 97.039 7.202 10.090 763 2HG1 VAL 109 2HG1 VAL 109 96.836 8.093 8.581 764 3HG1 VAL 109 3HG1 VAL 109 97.268 8.951 10.061 765 1HG2 VAL 109 1HG2 VAL 109 93.772 6.742 9.850 766 2HG2 VAL 109 2HG2 VAL 109 93.754 7.843 8.473 767 3HG2 VAL 109 3HG2 VAL 109 95.046 6.655 8.634 768 HA PRO 110 HA PRO 110 91.622 9.791 13.232 769 1HB PRO 110 1HB PRO 110 91.645 12.476 12.726 770 2HB PRO 110 2HB PRO 110 92.545 11.739 14.065 771 1HG PRO 110 1HG PRO 110 93.521 12.695 11.433 772 2HG PRO 110 2HG PRO 110 94.313 12.734 13.014 773 1HD PRO 110 1HD PRO 110 94.869 10.910 11.023 774 2HD PRO 110 2HD PRO 110 95.206 10.661 12.750 775 H TYR 111 H TYR 111 89.657 11.165 12.336 776 HA TYR 111 HA TYR 111 89.531 10.999 9.348 777 1HB TYR 111 1HB TYR 111 88.630 8.939 10.392 778 2HB TYR 111 2HB TYR 111 87.529 9.918 11.362 779 HD1 TYR 111 HD1 TYR 111 85.665 11.144 10.307 780 HD2 TYR 111 HD2 TYR 111 88.250 8.583 8.024 781 HE1 TYR 111 HE1 TYR 111 84.028 11.153 8.444 782 HE2 TYR 111 HE2 TYR 111 86.613 8.592 6.160 783 HH TYR 111 HH TYR 111 83.441 9.662 6.509 784 H ASN 112 H ASN 112 89.138 13.136 8.813 785 HA ASN 112 HA ASN 112 87.664 14.932 10.601 786 1HB ASN 112 1HB ASN 112 89.124 15.037 7.991 787 2HB ASN 112 2HB ASN 112 88.004 16.348 8.363 788 1HD2 ASN 112 2HD2 ASN 112 90.623 14.489 10.023 789 2HD2 ASN 112 1HD2 ASN 112 91.264 15.838 10.830 790 H LYS 113 H LYS 113 85.545 13.882 10.645 791 HA LYS 113 HA LYS 113 83.935 13.052 8.537 792 1HB LYS 113 1HB LYS 113 83.233 14.711 10.983 793 2HB LYS 113 2HB LYS 113 82.060 13.816 10.017 794 1HG LYS 113 1HG LYS 113 83.542 11.752 10.447 795 2HG LYS 113 2HG LYS 113 84.316 12.722 11.701 796 1HD LYS 113 1HD LYS 113 81.526 13.054 12.052 797 2HD LYS 113 2HD LYS 113 81.794 11.328 11.804 798 1HE LYS 113 1HE LYS 113 83.475 12.953 13.735 799 2HE LYS 113 2HE LYS 113 81.988 12.119 14.230 800 1HZ LYS 113 1HZ LYS 113 84.037 10.708 12.645 801 2HZ LYS 113 2HZ LYS 113 84.205 10.832 14.331 802 3HZ LYS 113 3HZ LYS 113 82.848 10.061 13.671 803 H GLU 114 H GLU 114 84.769 16.369 9.429 804 HA GLU 114 HA GLU 114 82.822 17.716 7.846 805 1HB GLU 114 1HB GLU 114 84.627 18.403 9.712 806 2HB GLU 114 2HB GLU 114 85.534 18.872 8.274 807 1HG GLU 114 1HG GLU 114 82.709 19.767 8.922 808 2HG GLU 114 2HG GLU 114 84.159 20.748 9.139 809 H HIS 115 H HIS 115 86.134 16.623 7.141 810 HA HIS 115 HA HIS 115 86.293 17.786 4.509 811 1HB HIS 115 1HB HIS 115 87.727 15.742 6.159 812 2HB HIS 115 2HB HIS 115 88.087 15.818 4.434 813 HD1 HIS 115 HD1 HIS 115 90.502 16.685 5.420 814 HD2 HIS 115 HD2 HIS 115 87.282 19.309 5.776 815 HE1 HIS 115 HE1 HIS 115 91.490 18.978 5.848 816 H LYS 116 H LYS 116 84.331 15.294 5.642 817 HA LYS 116 HA LYS 116 84.458 13.309 3.626 818 1HB LYS 116 1HB LYS 116 83.195 13.588 5.915 819 2HB LYS 116 2HB LYS 116 81.909 14.256 4.909 820 1HG LYS 116 1HG LYS 116 82.564 12.032 3.485 821 2HG LYS 116 2HG LYS 116 82.886 11.478 5.129 822 1HD LYS 116 1HD LYS 116 80.425 12.967 5.104 823 2HD LYS 116 2HD LYS 116 80.363 11.723 3.854 824 1HE LYS 116 1HE LYS 116 79.562 10.727 5.922 825 2HE LYS 116 2HE LYS 116 81.182 10.071 5.616 826 1HZ LYS 116 1HZ LYS 116 80.573 12.442 7.305 827 2HZ LYS 116 2HZ LYS 116 80.985 10.901 7.891 828 3HZ LYS 116 3HZ LYS 116 82.120 11.802 7.009 829 H ASN 117 H ASN 117 83.570 13.213 1.563 830 HA ASN 117 HA ASN 117 82.683 14.030 -0.470 831 1HB ASN 117 1HB ASN 117 80.789 15.458 1.414 832 2HB ASN 117 2HB ASN 117 80.438 14.844 -0.202 833 1HD2 ASN 117 2HD2 ASN 117 78.742 13.895 1.722 834 2HD2 ASN 117 1HD2 ASN 117 79.121 12.295 2.145 835 H LEU 118 H LEU 118 84.897 15.499 0.060 836 HA LEU 118 HA LEU 118 84.346 18.316 0.325 837 1HB LEU 118 1HB LEU 118 86.347 17.568 1.264 838 2HB LEU 118 2HB LEU 118 86.627 16.434 -0.040 839 HG LEU 118 HG LEU 118 86.979 18.415 -1.540 840 1HD1 LEU 118 1HD1 LEU 118 86.081 19.827 0.681 841 2HD1 LEU 118 2HD1 LEU 118 87.826 20.084 0.718 842 3HD1 LEU 118 3HD1 LEU 118 86.897 20.538 -0.712 843 1HD2 LEU 118 1HD2 LEU 118 88.742 16.936 -0.301 844 2HD2 LEU 118 2HD2 LEU 118 89.272 18.432 -1.072 845 3HD2 LEU 118 3HD2 LEU 118 89.008 18.384 0.671 846 H ASP 119 H ASP 119 85.316 19.751 -1.457 847 HA ASP 119 HA ASP 119 84.244 18.881 -4.085 848 1HB ASP 119 1HB ASP 119 83.608 21.036 -2.951 849 2HB ASP 119 2HB ASP 119 85.278 21.570 -3.145 850 H LYS 120 H LYS 120 85.616 18.259 -5.709 851 HA LYS 120 HA LYS 120 88.368 17.878 -5.486 852 1HB LYS 120 1HB LYS 120 86.522 18.430 -7.815 853 2HB LYS 120 2HB LYS 120 88.221 18.028 -8.060 854 1HG LYS 120 1HG LYS 120 87.910 15.926 -6.805 855 2HG LYS 120 2HG LYS 120 86.210 16.325 -6.559 856 1HD LYS 120 1HD LYS 120 86.622 16.611 -9.320 857 2HD LYS 120 2HD LYS 120 87.493 15.141 -8.880 858 1HE LYS 120 1HE LYS 120 85.134 14.881 -7.451 859 2HE LYS 120 2HE LYS 120 84.597 15.618 -8.974 860 1HZ LYS 120 1HZ LYS 120 86.432 13.286 -8.771 861 2HZ LYS 120 2HZ LYS 120 84.775 13.181 -9.130 862 3HZ LYS 120 3HZ LYS 120 85.825 13.970 -10.203 863 H LYS 121 H LYS 121 86.620 20.833 -6.016 864 HA LYS 121 HA LYS 121 88.607 22.428 -7.297 865 1HB LYS 121 1HB LYS 121 86.126 22.730 -5.736 866 2HB LYS 121 2HB LYS 121 87.201 24.126 -5.674 867 1HG LYS 121 1HG LYS 121 86.263 22.764 -8.212 868 2HG LYS 121 2HG LYS 121 85.609 24.272 -7.572 869 1HD LYS 121 1HD LYS 121 87.246 25.408 -8.612 870 2HD LYS 121 2HD LYS 121 88.441 24.545 -7.643 871 1HE LYS 121 1HE LYS 121 89.102 23.350 -9.448 872 2HE LYS 121 2HE LYS 121 87.433 22.830 -9.759 873 1HZ LYS 121 1HZ LYS 121 88.338 25.578 -10.368 874 2HZ LYS 121 2HZ LYS 121 88.523 24.324 -11.495 875 3HZ LYS 121 3HZ LYS 121 86.971 24.759 -10.959 876 H ASN 122 H ASN 122 88.542 21.075 -4.203 877 HA ASN 122 HA ASN 122 90.367 23.096 -2.999 878 1HB ASN 122 1HB ASN 122 88.667 20.797 -2.134 879 2HB ASN 122 2HB ASN 122 90.094 21.147 -1.166 880 1HD2 ASN 122 2HD2 ASN 122 87.241 22.831 -2.597 881 2HD2 ASN 122 1HD2 ASN 122 87.084 23.955 -1.334 882 H CYS 123 H CYS 123 90.365 20.283 -4.815 883 HA CYS 123 HA CYS 123 92.956 19.240 -3.835 884 1HB CYS 123 1HB CYS 123 90.624 18.397 -5.477 885 2HB CYS 123 2HB CYS 123 92.164 17.661 -5.872 Start of MODEL 9 1 1H ALA 1 1H ALA 1 84.037 -6.997 -7.095 2 2H ALA 1 2H ALA 1 85.730 -7.120 -7.022 3 3H ALA 1 3H ALA 1 84.778 -8.522 -7.140 4 HA ALA 1 HA ALA 1 83.998 -8.336 -4.945 5 1HB ALA 1 1HB ALA 1 86.908 -7.590 -5.325 6 2HB ALA 1 2HB ALA 1 86.247 -8.029 -3.750 7 3HB ALA 1 3HB ALA 1 86.230 -9.198 -5.071 8 H LEU 2 H LEU 2 86.434 -5.861 -4.494 9 HA LEU 2 HA LEU 2 86.268 -3.619 -3.752 10 1HB LEU 2 1HB LEU 2 84.402 -3.907 -5.688 11 2HB LEU 2 2HB LEU 2 83.348 -3.548 -4.318 12 HG LEU 2 HG LEU 2 85.776 -1.850 -4.642 13 1HD1 LEU 2 1HD1 LEU 2 83.306 -1.582 -6.384 14 2HD1 LEU 2 2HD1 LEU 2 84.612 -0.402 -6.273 15 3HD1 LEU 2 3HD1 LEU 2 84.923 -2.001 -6.949 16 1HD2 LEU 2 1HD2 LEU 2 83.558 -1.853 -3.008 17 2HD2 LEU 2 2HD2 LEU 2 84.588 -0.451 -3.300 18 3HD2 LEU 2 3HD2 LEU 2 83.108 -0.669 -4.235 19 H TRP 3 H TRP 3 83.104 -5.155 -3.006 20 HA TRP 3 HA TRP 3 82.714 -3.938 -0.493 21 1HB TRP 3 1HB TRP 3 80.944 -5.447 -0.330 22 2HB TRP 3 2HB TRP 3 81.266 -5.502 -2.059 23 HD1 TRP 3 HD1 TRP 3 82.866 -7.585 -2.903 24 HE1 TRP 3 HE1 TRP 3 82.991 -10.000 -2.006 25 HE3 TRP 3 HE3 TRP 3 80.712 -6.938 1.680 26 HZ2 TRP 3 HZ2 TRP 3 82.271 -11.463 0.341 27 HZ3 TRP 3 HZ3 TRP 3 80.443 -8.857 3.225 28 HH2 TRP 3 HH2 TRP 3 81.219 -11.116 2.561 29 H GLN 4 H GLN 4 84.867 -6.548 -1.375 30 HA GLN 4 HA GLN 4 85.238 -7.749 1.201 31 1HB GLN 4 1HB GLN 4 86.965 -7.417 -1.267 32 2HB GLN 4 2HB GLN 4 87.460 -8.401 0.111 33 1HG GLN 4 1HG GLN 4 84.738 -9.030 -0.654 34 2HG GLN 4 2HG GLN 4 85.823 -9.202 -2.033 35 1HE2 GLN 4 2HE2 GLN 4 88.181 -10.108 -0.870 36 2HE2 GLN 4 1HE2 GLN 4 87.918 -11.591 -0.087 37 H PHE 5 H PHE 5 86.894 -5.032 -0.419 38 HA PHE 5 HA PHE 5 88.938 -4.538 1.464 39 1HB PHE 5 1HB PHE 5 88.854 -3.432 -0.671 40 2HB PHE 5 2HB PHE 5 87.273 -2.738 -0.315 41 HD1 PHE 5 HD1 PHE 5 90.206 -2.989 1.972 42 HD2 PHE 5 HD2 PHE 5 87.716 -0.405 -0.390 43 HE1 PHE 5 HE1 PHE 5 91.300 -1.009 2.987 44 HE2 PHE 5 HE2 PHE 5 88.811 1.575 0.625 45 HZ PHE 5 HZ PHE 5 90.603 1.274 2.313 46 H ASN 6 H ASN 6 85.778 -2.835 1.310 47 HA ASN 6 HA ASN 6 85.905 -1.361 3.665 48 1HB ASN 6 1HB ASN 6 83.716 -2.804 2.189 49 2HB ASN 6 2HB ASN 6 83.339 -1.935 3.677 50 1HD2 ASN 6 2HD2 ASN 6 82.070 -0.383 2.321 51 2HD2 ASN 6 1HD2 ASN 6 82.881 0.821 1.442 52 H GLY 7 H GLY 7 85.145 -4.819 3.329 53 1HA GLY 7 1HA GLY 7 84.331 -5.307 6.010 54 2HA GLY 7 2HA GLY 7 85.032 -6.520 4.940 55 H MET 8 H MET 8 87.569 -5.365 4.525 56 HA MET 8 HA MET 8 89.053 -6.303 6.748 57 1HB MET 8 1HB MET 8 89.575 -4.487 4.399 58 2HB MET 8 2HB MET 8 90.848 -4.795 5.580 59 1HG MET 8 1HG MET 8 90.501 -7.255 5.226 60 2HG MET 8 2HG MET 8 89.365 -6.864 3.933 61 1HE MET 8 1HE MET 8 91.993 -8.466 4.346 62 2HE MET 8 2HE MET 8 91.730 -8.619 2.602 63 3HE MET 8 3HE MET 8 93.283 -8.058 3.217 64 H ILE 9 H ILE 9 87.927 -3.022 5.949 65 HA ILE 9 HA ILE 9 89.345 -1.648 8.036 66 HB ILE 9 HB ILE 9 86.720 -1.033 6.640 67 1HG1 ILE 9 1HG1 ILE 9 89.530 -0.136 5.938 68 2HG1 ILE 9 2HG1 ILE 9 88.714 -1.488 5.154 69 1HG2 ILE 9 1HG2 ILE 9 88.713 0.754 8.069 70 2HG2 ILE 9 2HG2 ILE 9 87.315 1.322 7.157 71 3HG2 ILE 9 3HG2 ILE 9 87.084 0.369 8.623 72 1HD1 ILE 9 1HD1 ILE 9 86.853 0.056 4.525 73 2HD1 ILE 9 2HD1 ILE 9 87.777 1.394 5.206 74 3HD1 ILE 9 3HD1 ILE 9 88.395 0.517 3.806 75 H LYS 10 H LYS 10 86.298 -3.423 7.962 76 HA LYS 10 HA LYS 10 85.262 -2.429 10.475 77 1HB LYS 10 1HB LYS 10 84.764 -4.763 8.636 78 2HB LYS 10 2HB LYS 10 83.936 -4.672 10.191 79 1HG LYS 10 1HG LYS 10 83.658 -2.105 9.160 80 2HG LYS 10 2HG LYS 10 83.459 -3.141 7.746 81 1HD LYS 10 1HD LYS 10 82.041 -4.346 9.911 82 2HD LYS 10 2HD LYS 10 81.581 -2.643 9.846 83 1HE LYS 10 1HE LYS 10 81.280 -2.995 7.305 84 2HE LYS 10 2HE LYS 10 81.326 -4.731 7.670 85 1HZ LYS 10 1HZ LYS 10 79.620 -2.870 9.212 86 2HZ LYS 10 2HZ LYS 10 79.064 -3.585 7.775 87 3HZ LYS 10 3HZ LYS 10 79.502 -4.561 9.092 88 H CYS 11 H CYS 11 87.330 -5.170 9.560 89 HA CYS 11 HA CYS 11 87.300 -6.555 12.038 90 1HB CYS 11 1HB CYS 11 88.161 -7.384 9.858 91 2HB CYS 11 2HB CYS 11 89.502 -6.249 9.977 92 H LYS 12 H LYS 12 89.568 -4.125 10.766 93 HA LYS 12 HA LYS 12 91.102 -3.943 13.233 94 1HB LYS 12 1HB LYS 12 90.866 -2.317 10.689 95 2HB LYS 12 2HB LYS 12 91.996 -1.891 11.976 96 1HG LYS 12 1HG LYS 12 92.412 -4.618 11.623 97 2HG LYS 12 2HG LYS 12 92.178 -4.019 9.981 98 1HD LYS 12 1HD LYS 12 94.340 -3.368 10.058 99 2HD LYS 12 2HD LYS 12 93.802 -2.088 11.145 100 1HE LYS 12 1HE LYS 12 94.068 -3.813 13.045 101 2HE LYS 12 2HE LYS 12 94.987 -4.776 11.870 102 1HZ LYS 12 1HZ LYS 12 95.597 -1.930 11.996 103 2HZ LYS 12 2HZ LYS 12 96.104 -2.861 13.321 104 3HZ LYS 12 3HZ LYS 12 96.635 -3.254 11.757 105 H ILE 13 H ILE 13 88.354 -2.202 11.848 106 HA ILE 13 HA ILE 13 88.174 -0.622 14.393 107 HB ILE 13 HB ILE 13 87.372 0.360 11.645 108 1HG1 ILE 13 1HG1 ILE 13 90.051 0.629 13.050 109 2HG1 ILE 13 2HG1 ILE 13 89.747 -0.196 11.521 110 1HG2 ILE 13 1HG2 ILE 13 86.602 1.441 13.866 111 2HG2 ILE 13 2HG2 ILE 13 88.282 1.953 14.043 112 3HG2 ILE 13 3HG2 ILE 13 87.333 2.499 12.659 113 1HD1 ILE 13 1HD1 ILE 13 88.854 2.041 10.658 114 2HD1 ILE 13 2HD1 ILE 13 89.561 2.764 12.103 115 3HD1 ILE 13 3HD1 ILE 13 90.595 1.953 10.926 116 HA PRO 14 HA PRO 14 84.248 -2.903 13.683 117 1HB PRO 14 1HB PRO 14 83.900 -3.623 16.298 118 2HB PRO 14 2HB PRO 14 84.885 -4.567 15.163 119 1HG PRO 14 1HG PRO 14 85.738 -2.673 17.284 120 2HG PRO 14 2HG PRO 14 86.496 -4.174 16.737 121 1HD PRO 14 1HD PRO 14 87.347 -1.654 16.036 122 2HD PRO 14 2HD PRO 14 87.670 -3.124 15.092 123 H SER 15 H SER 15 85.264 -0.432 15.955 124 HA SER 15 HA SER 15 82.543 0.349 16.722 125 1HB SER 15 1HB SER 15 83.859 2.228 17.801 126 2HB SER 15 2HB SER 15 84.376 0.614 18.277 127 HG SER 15 HG SER 15 85.594 2.464 16.539 128 H SER 16 H SER 16 84.324 0.730 13.923 129 HA SER 16 HA SER 16 82.813 3.217 13.209 130 1HB SER 16 1HB SER 16 85.416 3.270 13.740 131 2HB SER 16 2HB SER 16 85.540 2.642 12.099 132 HG SER 16 HG SER 16 84.286 5.035 12.974 133 H GLU 17 H GLU 17 81.955 3.195 11.104 134 HA GLU 17 HA GLU 17 82.182 0.595 9.647 135 1HB GLU 17 1HB GLU 17 80.158 2.858 9.561 136 2HB GLU 17 2HB GLU 17 80.030 1.354 8.650 137 1HG GLU 17 1HG GLU 17 80.529 0.938 11.513 138 2HG GLU 17 2HG GLU 17 79.005 1.761 11.180 139 HA PRO 18 HA PRO 18 84.344 2.599 6.380 140 1HB PRO 18 1HB PRO 18 83.664 0.940 4.311 141 2HB PRO 18 2HB PRO 18 84.817 0.480 5.580 142 1HG PRO 18 1HG PRO 18 81.954 -0.260 5.269 143 2HG PRO 18 2HG PRO 18 83.317 -1.233 5.842 144 1HD PRO 18 1HD PRO 18 81.468 -0.088 7.497 145 2HD PRO 18 2HD PRO 18 83.137 -0.459 7.985 146 H LEU 19 H LEU 19 80.980 2.499 6.625 147 HA LEU 19 HA LEU 19 80.622 4.156 4.151 148 1HB LEU 19 1HB LEU 19 78.921 2.234 5.717 149 2HB LEU 19 2HB LEU 19 78.139 3.478 4.741 150 HG LEU 19 HG LEU 19 80.329 1.847 3.506 151 1HD1 LEU 19 1HD1 LEU 19 78.770 0.242 4.640 152 2HD1 LEU 19 2HD1 LEU 19 77.444 0.938 3.711 153 3HD1 LEU 19 3HD1 LEU 19 78.756 0.101 2.883 154 1HD2 LEU 19 1HD2 LEU 19 79.137 3.845 2.431 155 2HD2 LEU 19 2HD2 LEU 19 79.158 2.358 1.484 156 3HD2 LEU 19 3HD2 LEU 19 77.701 2.824 2.362 157 H LEU 20 H LEU 20 80.409 4.105 7.629 158 HA LEU 20 HA LEU 20 78.921 6.694 7.663 159 1HB LEU 20 1HB LEU 20 79.733 4.777 9.873 160 2HB LEU 20 2HB LEU 20 78.647 6.155 10.050 161 HG LEU 20 HG LEU 20 78.125 3.896 8.106 162 1HD1 LEU 20 1HD1 LEU 20 77.976 3.863 10.969 163 2HD1 LEU 20 2HD1 LEU 20 76.335 3.843 10.324 164 3HD1 LEU 20 3HD1 LEU 20 77.489 2.603 9.834 165 1HD2 LEU 20 1HD2 LEU 20 77.047 6.371 8.159 166 2HD2 LEU 20 2HD2 LEU 20 76.121 4.944 7.691 167 3HD2 LEU 20 3HD2 LEU 20 75.993 5.578 9.331 168 H ASP 21 H ASP 21 82.097 5.390 7.959 169 HA ASP 21 HA ASP 21 83.055 7.974 9.152 170 1HB ASP 21 1HB ASP 21 84.078 5.129 9.418 171 2HB ASP 21 2HB ASP 21 84.905 6.542 10.077 172 H PHE 22 H PHE 22 83.868 5.293 6.932 173 HA PHE 22 HA PHE 22 85.806 7.126 5.564 174 1HB PHE 22 1HB PHE 22 85.633 4.106 5.435 175 2HB PHE 22 2HB PHE 22 86.994 5.123 4.964 176 HD1 PHE 22 HD1 PHE 22 88.335 6.309 6.690 177 HD2 PHE 22 HD2 PHE 22 85.226 3.538 7.740 178 HE1 PHE 22 HE1 PHE 22 89.233 6.177 8.998 179 HE2 PHE 22 HE2 PHE 22 86.122 3.407 10.049 180 HZ PHE 22 HZ PHE 22 88.127 4.726 10.677 181 H ASN 23 H ASN 23 83.599 7.907 4.565 182 HA ASN 23 HA ASN 23 83.126 6.300 2.083 183 1HB ASN 23 1HB ASN 23 81.355 5.946 3.808 184 2HB ASN 23 2HB ASN 23 81.046 7.683 3.811 185 1HD2 ASN 23 2HD2 ASN 23 78.804 6.579 3.105 186 2HD2 ASN 23 1HD2 ASN 23 78.567 6.462 1.428 187 H ASN 24 H ASN 24 83.426 7.577 0.296 188 HA ASN 24 HA ASN 24 83.862 9.549 -0.952 189 1HB ASN 24 1HB ASN 24 81.307 9.235 -0.509 190 2HB ASN 24 2HB ASN 24 81.491 10.612 0.578 191 1HD2 ASN 24 2HD2 ASN 24 80.851 12.477 -0.504 192 2HD2 ASN 24 1HD2 ASN 24 81.220 12.843 -2.120 193 H TYR 25 H TYR 25 85.849 10.149 0.227 194 HA TYR 25 HA TYR 25 85.506 12.679 1.756 195 1HB TYR 25 1HB TYR 25 85.475 10.952 3.452 196 2HB TYR 25 2HB TYR 25 86.862 10.144 2.723 197 HD1 TYR 25 HD1 TYR 25 89.095 11.383 2.641 198 HD2 TYR 25 HD2 TYR 25 85.773 12.693 5.031 199 HE1 TYR 25 HE1 TYR 25 90.628 12.766 4.016 200 HE2 TYR 25 HE2 TYR 25 87.307 14.075 6.405 201 HH TYR 25 HH TYR 25 89.612 14.239 6.977 202 H GLY 26 H GLY 26 87.596 13.857 1.931 203 1HA GLY 26 1HA GLY 26 89.467 14.746 0.800 204 2HA GLY 26 2HA GLY 26 90.082 13.103 0.977 205 H CYS 27 H CYS 27 91.128 13.774 -1.147 206 HA CYS 27 HA CYS 27 89.365 13.832 -3.506 207 1HB CYS 27 1HB CYS 27 92.384 13.678 -3.244 208 2HB CYS 27 2HB CYS 27 91.481 14.182 -4.673 209 H TYR 28 H TYR 28 91.294 11.468 -1.752 210 HA TYR 28 HA TYR 28 91.055 9.515 -3.982 211 1HB TYR 28 1HB TYR 28 92.467 9.435 -1.297 212 2HB TYR 28 2HB TYR 28 92.630 8.226 -2.572 213 HD1 TYR 28 HD1 TYR 28 93.801 8.739 -4.664 214 HD2 TYR 28 HD2 TYR 28 93.451 11.657 -1.530 215 HE1 TYR 28 HE1 TYR 28 95.550 10.119 -5.753 216 HE2 TYR 28 HE2 TYR 28 95.200 13.037 -2.620 217 HH TYR 28 HH TYR 28 97.099 11.843 -5.267 218 H CYS 29 H CYS 29 90.439 9.537 -0.433 219 HA CYS 29 HA CYS 29 89.032 7.133 -0.216 220 1HB CYS 29 1HB CYS 29 88.385 9.768 1.142 221 2HB CYS 29 2HB CYS 29 88.029 8.159 1.766 222 H GLY 30 H GLY 30 87.288 6.442 -1.383 223 1HA GLY 30 1HA GLY 30 84.747 7.194 -1.473 224 2HA GLY 30 2HA GLY 30 85.418 8.454 -2.511 225 H LEU 31 H LEU 31 84.718 7.862 -4.541 226 HA LEU 31 HA LEU 31 85.305 5.053 -5.421 227 1HB LEU 31 1HB LEU 31 83.334 5.193 -6.754 228 2HB LEU 31 2HB LEU 31 82.889 5.927 -5.213 229 HG LEU 31 HG LEU 31 83.897 8.083 -6.587 230 1HD1 LEU 31 1HD1 LEU 31 82.625 6.148 -8.525 231 2HD1 LEU 31 2HD1 LEU 31 82.578 7.889 -8.806 232 3HD1 LEU 31 3HD1 LEU 31 84.128 7.053 -8.706 233 1HD2 LEU 31 1HD2 LEU 31 81.369 7.108 -5.640 234 2HD2 LEU 31 2HD2 LEU 31 81.876 8.781 -5.874 235 3HD2 LEU 31 3HD2 LEU 31 81.117 7.896 -7.197 236 H GLY 32 H GLY 32 86.237 8.270 -5.768 237 1HA GLY 32 1HA GLY 32 87.948 7.659 -8.033 238 2HA GLY 32 2HA GLY 32 86.632 8.748 -8.475 239 H GLY 33 H GLY 33 86.799 10.897 -7.917 240 1HA GLY 33 1HA GLY 33 87.815 12.869 -7.156 241 2HA GLY 33 2HA GLY 33 88.257 11.944 -5.721 242 H SER 34 H SER 34 89.989 13.876 -6.810 243 HA SER 34 HA SER 34 92.411 12.318 -7.129 244 1HB SER 34 1HB SER 34 92.827 12.937 -9.485 245 2HB SER 34 2HB SER 34 91.342 12.002 -9.340 246 HG SER 34 HG SER 34 90.448 14.319 -9.047 247 H GLY 35 H GLY 35 94.316 13.785 -7.451 248 1HA GLY 35 1HA GLY 35 95.157 16.106 -7.627 249 2HA GLY 35 2HA GLY 35 93.684 16.637 -6.811 250 H THR 36 H THR 36 95.749 17.609 -5.563 251 HA THR 36 HA THR 36 97.274 16.020 -3.781 252 HB THR 36 HB THR 36 96.134 18.823 -3.536 253 HG1 THR 36 HG1 THR 36 97.754 17.924 -5.246 254 1HG2 THR 36 1HG2 THR 36 96.966 17.685 -1.382 255 2HG2 THR 36 2HG2 THR 36 98.568 17.745 -2.117 256 3HG2 THR 36 3HG2 THR 36 97.688 19.239 -1.799 257 HA PRO 37 HA PRO 37 94.232 14.601 -0.925 258 1HB PRO 37 1HB PRO 37 95.878 14.056 1.193 259 2HB PRO 37 2HB PRO 37 95.793 13.032 -0.254 260 1HG PRO 37 1HG PRO 37 97.816 15.081 0.499 261 2HG PRO 37 2HG PRO 37 98.036 13.517 -0.302 262 1HD PRO 37 1HD PRO 37 98.047 15.906 -1.624 263 2HD PRO 37 2HD PRO 37 97.572 14.367 -2.374 264 H VAL 38 H VAL 38 93.400 15.165 1.310 265 HA VAL 38 HA VAL 38 94.046 18.016 1.981 266 HB VAL 38 HB VAL 38 91.694 18.200 2.578 267 1HG1 VAL 38 1HG1 VAL 38 92.605 17.941 0.051 268 2HG1 VAL 38 2HG1 VAL 38 91.456 16.604 0.080 269 3HG1 VAL 38 3HG1 VAL 38 90.908 18.245 0.422 270 1HG2 VAL 38 1HG2 VAL 38 91.684 15.210 2.084 271 2HG2 VAL 38 2HG2 VAL 38 91.306 16.045 3.590 272 3HG2 VAL 38 3HG2 VAL 38 90.212 16.173 2.212 273 H ASP 39 H ASP 39 93.641 14.759 3.217 274 HA ASP 39 HA ASP 39 94.609 15.702 5.877 275 1HB ASP 39 1HB ASP 39 92.015 15.443 5.561 276 2HB ASP 39 2HB ASP 39 92.359 13.716 5.659 277 H ASP 40 H ASP 40 95.349 13.799 7.221 278 HA ASP 40 HA ASP 40 97.130 12.092 5.817 279 1HB ASP 40 1HB ASP 40 95.808 11.820 8.541 280 2HB ASP 40 2HB ASP 40 97.253 10.945 8.031 281 H LEU 41 H LEU 41 93.807 11.473 7.009 282 HA LEU 41 HA LEU 41 93.664 8.702 6.426 283 1HB LEU 41 1HB LEU 41 92.008 10.281 7.607 284 2HB LEU 41 2HB LEU 41 91.438 10.706 5.992 285 HG LEU 41 HG LEU 41 90.917 8.357 5.527 286 1HD1 LEU 41 1HD1 LEU 41 92.096 7.951 8.282 287 2HD1 LEU 41 2HD1 LEU 41 91.058 6.752 7.510 288 3HD1 LEU 41 3HD1 LEU 41 92.596 7.197 6.769 289 1HD2 LEU 41 1HD2 LEU 41 89.818 9.598 8.044 290 2HD2 LEU 41 2HD2 LEU 41 89.051 9.442 6.463 291 3HD2 LEU 41 3HD2 LEU 41 89.236 8.026 7.496 292 H ASP 42 H ASP 42 93.260 11.538 4.330 293 HA ASP 42 HA ASP 42 92.307 10.226 1.986 294 1HB ASP 42 1HB ASP 42 92.911 12.773 2.787 295 2HB ASP 42 2HB ASP 42 94.238 12.448 1.672 296 H ARG 43 H ARG 43 95.619 10.882 3.133 297 HA ARG 43 HA ARG 43 97.113 9.908 0.962 298 1HB ARG 43 1HB ARG 43 97.410 10.051 3.943 299 2HB ARG 43 2HB ARG 43 98.640 9.197 3.018 300 1HG ARG 43 1HG ARG 43 98.099 11.602 1.624 301 2HG ARG 43 2HG ARG 43 98.275 12.029 3.327 302 1HD ARG 43 1HD ARG 43 100.440 11.989 2.011 303 2HD ARG 43 2HD ARG 43 100.444 10.942 3.434 304 HE ARG 43 HE ARG 43 99.456 9.366 1.374 305 1HH1 ARG 43 1HH1 ARG 43 102.261 9.590 2.936 306 2HH1 ARG 43 2HH1 ARG 43 103.312 9.293 1.591 307 1HH2 ARG 43 1HH2 ARG 43 100.818 9.667 -0.785 308 2HH2 ARG 43 2HH2 ARG 43 102.496 9.333 -0.512 309 H CYS 44 H CYS 44 95.444 8.169 3.544 310 HA CYS 44 HA CYS 44 96.524 5.589 3.089 311 1HB CYS 44 1HB CYS 44 93.712 6.312 3.962 312 2HB CYS 44 2HB CYS 44 94.610 4.857 4.383 313 H CYS 45 H CYS 45 93.572 7.136 1.811 314 HA CYS 45 HA CYS 45 92.787 4.937 0.123 315 1HB CYS 45 1HB CYS 45 92.250 7.916 -0.131 316 2HB CYS 45 2HB CYS 45 91.273 6.619 -0.819 317 H GLN 46 H GLN 46 94.651 7.917 -0.500 318 HA GLN 46 HA GLN 46 95.050 7.623 -3.292 319 1HB GLN 46 1HB GLN 46 95.614 9.643 -2.119 320 2HB GLN 46 2HB GLN 46 96.696 8.778 -1.028 321 1HG GLN 46 1HG GLN 46 98.260 8.338 -2.810 322 2HG GLN 46 2HG GLN 46 97.136 8.954 -4.019 323 1HE2 GLN 46 2HE2 GLN 46 99.464 10.233 -4.158 324 2HE2 GLN 46 1HE2 GLN 46 99.422 11.744 -3.396 325 H THR 47 H THR 47 96.824 6.234 -0.545 326 HA THR 47 HA THR 47 98.935 5.058 -2.089 327 HB THR 47 HB THR 47 97.778 4.474 0.646 328 HG1 THR 47 HG1 THR 47 100.210 5.755 0.133 329 1HG2 THR 47 1HG2 THR 47 99.266 2.683 -0.587 330 2HG2 THR 47 2HG2 THR 47 100.579 3.790 -0.181 331 3HG2 THR 47 3HG2 THR 47 99.591 3.087 1.099 332 H HIS 48 H HIS 48 95.741 3.922 -1.068 333 HA HIS 48 HA HIS 48 96.060 1.141 -1.587 334 1HB HIS 48 1HB HIS 48 94.151 2.314 -0.445 335 2HB HIS 48 2HB HIS 48 93.625 2.903 -2.022 336 HD1 HIS 48 HD1 HIS 48 92.062 1.406 -3.263 337 HD2 HIS 48 HD2 HIS 48 94.269 -0.698 -0.421 338 HE1 HIS 48 HE1 HIS 48 91.183 -0.970 -3.289 339 H ASP 49 H ASP 49 94.844 3.744 -3.694 340 HA ASP 49 HA ASP 49 94.521 2.191 -6.047 341 1HB ASP 49 1HB ASP 49 94.866 5.063 -5.300 342 2HB ASP 49 2HB ASP 49 95.012 4.641 -7.006 343 H ASN 50 H ASN 50 97.260 4.148 -4.883 344 HA ASN 50 HA ASN 50 99.029 3.773 -7.047 345 1HB ASN 50 1HB ASN 50 99.280 4.279 -4.092 346 2HB ASN 50 2HB ASN 50 100.731 4.088 -5.076 347 1HD2 ASN 50 2HD2 ASN 50 99.847 6.594 -3.775 348 2HD2 ASN 50 1HD2 ASN 50 99.584 7.716 -5.022 349 H CYS 51 H CYS 51 98.303 1.711 -4.263 350 HA CYS 51 HA CYS 51 100.450 -0.180 -4.674 351 1HB CYS 51 1HB CYS 51 98.894 0.312 -2.640 352 2HB CYS 51 2HB CYS 51 97.761 -0.778 -3.438 353 H TYR 52 H TYR 52 97.116 0.079 -5.858 354 HA TYR 52 HA TYR 52 96.944 -2.530 -7.061 355 1HB TYR 52 1HB TYR 52 95.571 0.132 -7.286 356 2HB TYR 52 2HB TYR 52 95.204 -1.114 -8.479 357 HD1 TYR 52 HD1 TYR 52 96.076 -1.541 -4.873 358 HD2 TYR 52 HD2 TYR 52 93.029 -1.832 -7.887 359 HE1 TYR 52 HE1 TYR 52 94.572 -2.659 -3.247 360 HE2 TYR 52 HE2 TYR 52 91.526 -2.948 -6.262 361 HH TYR 52 HH TYR 52 92.555 -3.507 -2.892 362 H LYS 53 H LYS 53 98.269 0.561 -8.134 363 HA LYS 53 HA LYS 53 98.591 -0.172 -10.933 364 1HB LYS 53 1HB LYS 53 100.362 1.775 -9.459 365 2HB LYS 53 2HB LYS 53 99.697 1.906 -11.084 366 1HG LYS 53 1HG LYS 53 97.514 1.762 -9.264 367 2HG LYS 53 2HG LYS 53 98.641 2.961 -8.652 368 1HD LYS 53 1HD LYS 53 97.449 4.294 -10.112 369 2HD LYS 53 2HD LYS 53 98.691 3.697 -11.213 370 1HE LYS 53 1HE LYS 53 96.992 1.718 -11.611 371 2HE LYS 53 2HE LYS 53 95.802 2.892 -11.015 372 1HZ LYS 53 1HZ LYS 53 97.153 4.476 -12.592 373 2HZ LYS 53 2HZ LYS 53 97.508 3.022 -13.397 374 3HZ LYS 53 3HZ LYS 53 95.894 3.514 -13.196 375 H GLN 54 H GLN 54 100.779 0.085 -8.171 376 HA GLN 54 HA GLN 54 103.142 -0.932 -9.288 377 1HB GLN 54 1HB GLN 54 101.847 -0.883 -6.590 378 2HB GLN 54 2HB GLN 54 103.313 -1.844 -6.783 379 1HG GLN 54 1HG GLN 54 103.262 0.964 -7.842 380 2HG GLN 54 2HG GLN 54 103.495 0.700 -6.114 381 1HE2 GLN 54 2HE2 GLN 54 105.067 0.619 -9.198 382 2HE2 GLN 54 1HE2 GLN 54 106.543 -0.028 -8.669 383 H ALA 55 H ALA 55 100.312 -2.625 -8.028 384 HA ALA 55 HA ALA 55 101.360 -5.298 -8.121 385 1HB ALA 55 1HB ALA 55 98.662 -3.970 -8.106 386 2HB ALA 55 2HB ALA 55 98.763 -5.715 -8.346 387 3HB ALA 55 3HB ALA 55 99.404 -4.988 -6.872 388 H LYS 56 H LYS 56 99.894 -3.207 -10.565 389 HA LYS 56 HA LYS 56 99.406 -5.245 -12.546 390 1HB LYS 56 1HB LYS 56 99.702 -2.257 -12.445 391 2HB LYS 56 2HB LYS 56 99.624 -3.056 -14.016 392 1HG LYS 56 1HG LYS 56 97.603 -3.985 -12.080 393 2HG LYS 56 2HG LYS 56 97.428 -2.296 -12.559 394 1HD LYS 56 1HD LYS 56 98.024 -4.093 -14.807 395 2HD LYS 56 2HD LYS 56 96.494 -4.452 -14.005 396 1HE LYS 56 1HE LYS 56 97.213 -1.611 -14.744 397 2HE LYS 56 2HE LYS 56 96.435 -2.695 -15.912 398 1HZ LYS 56 1HZ LYS 56 95.068 -3.141 -13.601 399 2HZ LYS 56 2HZ LYS 56 95.332 -1.464 -13.563 400 3HZ LYS 56 3HZ LYS 56 94.536 -2.171 -14.886 401 H LYS 57 H LYS 57 102.144 -3.023 -11.988 402 HA LYS 57 HA LYS 57 103.727 -3.731 -14.210 403 1HB LYS 57 1HB LYS 57 103.898 -2.261 -11.752 404 2HB LYS 57 2HB LYS 57 105.370 -3.217 -11.939 405 1HG LYS 57 1HG LYS 57 104.271 -1.617 -14.244 406 2HG LYS 57 2HG LYS 57 105.303 -0.860 -13.031 407 1HD LYS 57 1HD LYS 57 106.851 -2.948 -13.478 408 2HD LYS 57 2HD LYS 57 105.975 -3.014 -15.008 409 1HE LYS 57 1HE LYS 57 107.279 -0.472 -13.988 410 2HE LYS 57 2HE LYS 57 108.101 -1.614 -15.071 411 1HZ LYS 57 1HZ LYS 57 105.364 -0.830 -15.739 412 2HZ LYS 57 2HZ LYS 57 106.587 0.318 -16.008 413 3HZ LYS 57 3HZ LYS 57 106.663 -1.201 -16.766 414 H LEU 58 H LEU 58 103.343 -5.285 -11.052 415 HA LEU 58 HA LEU 58 105.503 -7.030 -10.958 416 1HB LEU 58 1HB LEU 58 102.686 -6.993 -10.052 417 2HB LEU 58 2HB LEU 58 103.444 -8.584 -10.067 418 HG LEU 58 HG LEU 58 105.005 -6.312 -8.914 419 1HD1 LEU 58 1HD1 LEU 58 102.375 -7.087 -7.982 420 2HD1 LEU 58 2HD1 LEU 58 103.597 -7.473 -6.770 421 3HD1 LEU 58 3HD1 LEU 58 103.442 -5.822 -7.372 422 1HD2 LEU 58 1HD2 LEU 58 104.708 -9.285 -8.494 423 2HD2 LEU 58 2HD2 LEU 58 106.157 -8.372 -8.910 424 3HD2 LEU 58 3HD2 LEU 58 105.495 -8.279 -7.278 425 H ASP 59 H ASP 59 106.230 -8.051 -12.819 426 HA ASP 59 HA ASP 59 104.870 -8.937 -15.058 427 1HB ASP 59 1HB ASP 59 107.336 -9.027 -14.554 428 2HB ASP 59 2HB ASP 59 107.035 -10.470 -13.584 429 H SER 60 H SER 60 105.372 -10.866 -12.076 430 HA SER 60 HA SER 60 104.027 -13.204 -12.750 431 1HB SER 60 1HB SER 60 104.703 -11.673 -10.340 432 2HB SER 60 2HB SER 60 103.298 -12.713 -10.123 433 HG SER 60 HG SER 60 105.221 -13.840 -9.691 434 H CYS 61 H CYS 61 102.659 -10.063 -11.876 435 HA CYS 61 HA CYS 61 99.907 -11.056 -11.715 436 1HB CYS 61 1HB CYS 61 101.300 -8.376 -11.693 437 2HB CYS 61 2HB CYS 61 99.541 -8.490 -11.687 438 H LYS 62 H LYS 62 101.689 -8.922 -13.984 439 HA LYS 62 HA LYS 62 99.672 -8.526 -15.899 440 1HB LYS 62 1HB LYS 62 102.243 -7.804 -15.594 441 2HB LYS 62 2HB LYS 62 102.464 -9.063 -16.810 442 1HG LYS 62 1HG LYS 62 100.773 -7.958 -18.245 443 2HG LYS 62 2HG LYS 62 100.599 -6.682 -17.040 444 1HD LYS 62 1HD LYS 62 102.130 -5.942 -18.798 445 2HD LYS 62 2HD LYS 62 103.022 -6.158 -17.291 446 1HE LYS 62 1HE LYS 62 103.767 -8.395 -18.047 447 2HE LYS 62 2HE LYS 62 102.884 -8.169 -19.570 448 1HZ LYS 62 1HZ LYS 62 104.535 -5.923 -18.858 449 2HZ LYS 62 2HZ LYS 62 105.431 -7.345 -19.105 450 3HZ LYS 62 3HZ LYS 62 104.418 -6.752 -20.332 451 H VAL 63 H VAL 63 101.396 -11.440 -15.125 452 HA VAL 63 HA VAL 63 100.762 -12.759 -17.690 453 HB VAL 63 HB VAL 63 101.936 -13.806 -15.092 454 1HG1 VAL 63 1HG1 VAL 63 101.749 -14.881 -17.909 455 2HG1 VAL 63 2HG1 VAL 63 102.988 -15.446 -16.789 456 3HG1 VAL 63 3HG1 VAL 63 101.281 -15.671 -16.403 457 1HG2 VAL 63 1HG2 VAL 63 103.035 -11.822 -16.537 458 2HG2 VAL 63 2HG2 VAL 63 104.012 -13.076 -15.773 459 3HG2 VAL 63 3HG2 VAL 63 103.609 -13.194 -17.485 460 H LEU 64 H LEU 64 98.698 -11.811 -15.526 461 HA LEU 64 HA LEU 64 97.304 -14.451 -15.209 462 1HB LEU 64 1HB LEU 64 97.619 -11.988 -13.530 463 2HB LEU 64 2HB LEU 64 96.129 -12.919 -13.370 464 HG LEU 64 HG LEU 64 97.904 -13.641 -11.763 465 1HD1 LEU 64 1HD1 LEU 64 96.126 -15.189 -12.677 466 2HD1 LEU 64 2HD1 LEU 64 97.313 -15.751 -13.855 467 3HD1 LEU 64 3HD1 LEU 64 97.591 -16.004 -12.133 468 1HD2 LEU 64 1HD2 LEU 64 99.682 -13.202 -13.692 469 2HD2 LEU 64 2HD2 LEU 64 99.972 -14.431 -12.462 470 3HD2 LEU 64 3HD2 LEU 64 99.371 -14.900 -14.053 471 H VAL 65 H VAL 65 96.138 -11.102 -14.936 472 HA VAL 65 HA VAL 65 94.557 -11.345 -17.374 473 HB VAL 65 HB VAL 65 93.476 -11.303 -14.572 474 1HG1 VAL 65 1HG1 VAL 65 92.140 -10.495 -17.151 475 2HG1 VAL 65 2HG1 VAL 65 91.195 -11.160 -15.818 476 3HG1 VAL 65 3HG1 VAL 65 92.112 -9.671 -15.592 477 1HG2 VAL 65 1HG2 VAL 65 93.478 -13.194 -16.870 478 2HG2 VAL 65 2HG2 VAL 65 93.525 -13.531 -15.140 479 3HG2 VAL 65 3HG2 VAL 65 91.997 -13.119 -15.918 480 H ASP 66 H ASP 66 96.582 -9.643 -15.959 481 HA ASP 66 HA ASP 66 97.013 -7.332 -15.503 482 1HB ASP 66 1HB ASP 66 96.895 -7.902 -18.039 483 2HB ASP 66 2HB ASP 66 95.371 -7.014 -18.012 484 H ASN 67 H ASN 67 95.085 -7.741 -13.739 485 HA ASN 67 HA ASN 67 93.522 -5.306 -13.730 486 1HB ASN 67 1HB ASN 67 92.505 -7.175 -15.388 487 2HB ASN 67 2HB ASN 67 91.755 -7.699 -13.879 488 1HD2 ASN 67 2HD2 ASN 67 90.491 -6.335 -16.272 489 2HD2 ASN 67 1HD2 ASN 67 89.752 -4.942 -15.642 490 HA PRO 68 HA PRO 68 94.107 -7.331 -9.661 491 1HB PRO 68 1HB PRO 68 94.989 -5.081 -8.382 492 2HB PRO 68 2HB PRO 68 96.065 -6.154 -9.300 493 1HG PRO 68 1HG PRO 68 94.926 -3.522 -10.053 494 2HG PRO 68 2HG PRO 68 96.494 -4.235 -10.456 495 1HD PRO 68 1HD PRO 68 94.323 -4.116 -12.163 496 2HD PRO 68 2HD PRO 68 95.686 -5.245 -12.322 497 H TYR 69 H TYR 69 91.565 -6.759 -10.522 498 HA TYR 69 HA TYR 69 90.396 -5.387 -8.159 499 1HB TYR 69 1HB TYR 69 90.869 -3.888 -10.293 500 2HB TYR 69 2HB TYR 69 89.399 -4.656 -10.893 501 HD1 TYR 69 HD1 TYR 69 90.812 -2.429 -8.308 502 HD2 TYR 69 HD2 TYR 69 87.232 -4.248 -9.830 503 HE1 TYR 69 HE1 TYR 69 89.443 -0.893 -6.925 504 HE2 TYR 69 HE2 TYR 69 85.863 -2.713 -8.447 505 HH TYR 69 HH TYR 69 86.938 -1.078 -5.905 506 H THR 70 H THR 70 90.420 -8.188 -8.999 507 HA THR 70 HA THR 70 87.684 -8.858 -8.663 508 HB THR 70 HB THR 70 87.389 -7.918 -10.875 509 HG1 THR 70 HG1 THR 70 86.341 -9.590 -11.624 510 1HG2 THR 70 1HG2 THR 70 89.830 -8.097 -11.471 511 2HG2 THR 70 2HG2 THR 70 89.559 -9.804 -11.822 512 3HG2 THR 70 3HG2 THR 70 88.734 -8.567 -12.770 513 H ASN 71 H ASN 71 90.348 -9.732 -7.793 514 HA ASN 71 HA ASN 71 90.701 -12.414 -9.001 515 1HB ASN 71 1HB ASN 71 92.510 -10.694 -8.280 516 2HB ASN 71 2HB ASN 71 92.167 -11.242 -6.638 517 1HD2 ASN 71 2HD2 ASN 71 94.515 -12.061 -6.789 518 2HD2 ASN 71 1HD2 ASN 71 94.772 -13.588 -7.487 519 H ASN 72 H ASN 72 91.102 -14.215 -7.247 520 HA ASN 72 HA ASN 72 88.741 -14.943 -5.968 521 1HB ASN 72 1HB ASN 72 91.651 -15.526 -5.643 522 2HB ASN 72 2HB ASN 72 90.570 -16.108 -4.376 523 1HD2 ASN 72 2HD2 ASN 72 91.955 -17.089 -7.226 524 2HD2 ASN 72 1HD2 ASN 72 90.785 -18.205 -7.742 525 H TYR 73 H TYR 73 91.562 -13.719 -4.119 526 HA TYR 73 HA TYR 73 91.638 -12.389 -2.165 527 1HB TYR 73 1HB TYR 73 90.151 -11.100 -3.964 528 2HB TYR 73 2HB TYR 73 88.873 -11.425 -2.794 529 HD1 TYR 73 HD1 TYR 73 91.024 -11.437 -0.428 530 HD2 TYR 73 HD2 TYR 73 89.945 -8.658 -3.524 531 HE1 TYR 73 HE1 TYR 73 91.830 -9.558 0.976 532 HE2 TYR 73 HE2 TYR 73 90.753 -6.781 -2.120 533 HH TYR 73 HH TYR 73 91.292 -6.218 0.060 534 H SER 74 H SER 74 91.374 -13.324 -0.180 535 HA SER 74 HA SER 74 88.715 -13.911 0.888 536 1HB SER 74 1HB SER 74 88.844 -15.898 -0.363 537 2HB SER 74 2HB SER 74 90.588 -16.027 -0.152 538 HG SER 74 HG SER 74 90.161 -17.233 1.503 539 H TYR 75 H TYR 75 90.033 -12.252 2.259 540 HA TYR 75 HA TYR 75 92.130 -13.431 3.966 541 1HB TYR 75 1HB TYR 75 92.321 -11.153 4.774 542 2HB TYR 75 2HB TYR 75 92.116 -11.087 3.023 543 HD1 TYR 75 HD1 TYR 75 90.294 -10.778 6.264 544 HD2 TYR 75 HD2 TYR 75 90.225 -10.007 2.040 545 HE1 TYR 75 HE1 TYR 75 88.262 -9.387 6.552 546 HE2 TYR 75 HE2 TYR 75 88.192 -8.616 2.327 547 HH TYR 75 HH TYR 75 86.379 -8.313 3.878 548 H SER 76 H SER 76 91.869 -13.037 6.408 549 HA SER 76 HA SER 76 89.046 -13.580 7.265 550 1HB SER 76 1HB SER 76 91.463 -15.140 7.450 551 2HB SER 76 2HB SER 76 90.901 -14.742 9.071 552 HG SER 76 HG SER 76 89.540 -16.309 8.728 553 H CYS 77 H CYS 77 88.802 -13.074 9.702 554 HA CYS 77 HA CYS 77 90.464 -10.665 10.375 555 1HB CYS 77 1HB CYS 77 88.198 -10.075 9.792 556 2HB CYS 77 2HB CYS 77 87.547 -11.312 10.857 557 H SER 78 H SER 78 90.586 -10.256 12.710 558 HA SER 78 HA SER 78 89.899 -11.988 14.814 559 1HB SER 78 1HB SER 78 91.808 -13.102 12.962 560 2HB SER 78 2HB SER 78 92.577 -12.907 14.535 561 HG SER 78 HG SER 78 91.554 -14.831 14.655 562 H ASN 79 H ASN 79 90.808 -11.246 16.780 563 HA ASN 79 HA ASN 79 91.765 -9.539 18.128 564 1HB ASN 79 1HB ASN 79 94.065 -10.330 16.307 565 2HB ASN 79 2HB ASN 79 94.220 -9.616 17.912 566 1HD2 ASN 79 2HD2 ASN 79 94.266 -12.570 16.328 567 2HD2 ASN 79 1HD2 ASN 79 93.858 -13.578 17.631 568 H ASN 80 H ASN 80 90.307 -8.294 16.167 569 HA ASN 80 HA ASN 80 90.157 -6.407 14.787 570 1HB ASN 80 1HB ASN 80 92.253 -5.410 16.710 571 2HB ASN 80 2HB ASN 80 90.939 -4.513 15.983 572 1HD2 ASN 80 2HD2 ASN 80 88.983 -6.635 16.429 573 2HD2 ASN 80 1HD2 ASN 80 88.692 -6.622 18.084 574 H GLU 81 H GLU 81 91.966 -8.360 13.866 575 HA GLU 81 HA GLU 81 93.900 -6.657 12.413 576 1HB GLU 81 1HB GLU 81 94.320 -9.243 13.893 577 2HB GLU 81 2HB GLU 81 95.426 -8.737 12.615 578 1HG GLU 81 1HG GLU 81 95.042 -6.453 14.195 579 2HG GLU 81 2HG GLU 81 95.226 -7.780 15.336 580 H ILE 82 H ILE 82 94.473 -7.499 10.301 581 HA ILE 82 HA ILE 82 92.285 -9.119 9.108 582 HB ILE 82 HB ILE 82 94.529 -7.398 8.019 583 1HG1 ILE 82 1HG1 ILE 82 91.509 -7.106 8.090 584 2HG1 ILE 82 2HG1 ILE 82 92.665 -6.182 9.050 585 1HG2 ILE 82 1HG2 ILE 82 93.381 -9.547 6.696 586 2HG2 ILE 82 2HG2 ILE 82 92.398 -8.183 6.165 587 3HG2 ILE 82 3HG2 ILE 82 94.144 -8.159 5.920 588 1HD1 ILE 82 1HD1 ILE 82 93.705 -5.513 6.770 589 2HD1 ILE 82 2HD1 ILE 82 92.187 -6.078 6.075 590 3HD1 ILE 82 3HD1 ILE 82 92.184 -4.752 7.236 591 H THR 83 H THR 83 92.630 -11.123 8.191 592 HA THR 83 HA THR 83 95.386 -12.282 8.441 593 HB THR 83 HB THR 83 92.596 -13.224 8.986 594 HG1 THR 83 HG1 THR 83 94.066 -14.365 10.602 595 1HG2 THR 83 1HG2 THR 83 94.868 -15.040 8.136 596 2HG2 THR 83 2HG2 THR 83 93.400 -15.596 8.938 597 3HG2 THR 83 3HG2 THR 83 93.306 -14.861 7.338 598 H CYS 84 H CYS 84 96.238 -12.217 6.363 599 HA CYS 84 HA CYS 84 94.492 -12.666 4.016 600 1HB CYS 84 1HB CYS 84 97.339 -11.830 4.542 601 2HB CYS 84 2HB CYS 84 96.833 -12.284 2.915 602 H SER 85 H SER 85 94.229 -14.701 3.187 603 HA SER 85 HA SER 85 95.380 -17.064 4.194 604 1HB SER 85 1HB SER 85 93.489 -17.326 2.849 605 2HB SER 85 2HB SER 85 94.078 -16.197 1.632 606 HG SER 85 HG SER 85 94.330 -18.857 1.728 607 H SER 86 H SER 86 97.196 -18.305 3.573 608 HA SER 86 HA SER 86 99.444 -16.834 2.438 609 1HB SER 86 1HB SER 86 100.637 -18.896 2.980 610 2HB SER 86 2HB SER 86 99.533 -18.514 4.297 611 HG SER 86 HG SER 86 98.104 -20.035 3.498 612 H GLU 87 H GLU 87 96.987 -18.950 1.186 613 HA GLU 87 HA GLU 87 98.275 -20.132 -1.035 614 1HB GLU 87 1HB GLU 87 95.514 -19.218 -0.319 615 2HB GLU 87 2HB GLU 87 95.814 -19.719 -1.983 616 1HG GLU 87 1HG GLU 87 96.470 -21.903 -1.323 617 2HG GLU 87 2HG GLU 87 96.656 -21.423 0.364 618 H ASN 88 H ASN 88 97.292 -16.819 -0.476 619 HA ASN 88 HA ASN 88 97.110 -15.787 -3.073 620 1HB ASN 88 1HB ASN 88 98.429 -14.560 -0.632 621 2HB ASN 88 2HB ASN 88 97.733 -13.673 -1.988 622 1HD2 ASN 88 2HD2 ASN 88 96.340 -12.720 -0.141 623 2HD2 ASN 88 1HD2 ASN 88 94.935 -13.569 0.289 624 H ASN 89 H ASN 89 98.604 -16.351 -4.661 625 HA ASN 89 HA ASN 89 101.383 -16.899 -4.164 626 1HB ASN 89 1HB ASN 89 101.466 -16.672 -6.695 627 2HB ASN 89 2HB ASN 89 100.247 -17.792 -6.090 628 1HD2 ASN 89 2HD2 ASN 89 99.582 -16.962 -8.535 629 2HD2 ASN 89 1HD2 ASN 89 98.429 -15.717 -8.521 630 H ALA 90 H ALA 90 103.056 -15.553 -5.564 631 HA ALA 90 HA ALA 90 103.742 -13.182 -4.388 632 1HB ALA 90 1HB ALA 90 104.277 -14.595 -6.838 633 2HB ALA 90 2HB ALA 90 104.266 -12.862 -7.160 634 3HB ALA 90 3HB ALA 90 105.349 -13.523 -5.935 635 H CYS 91 H CYS 91 101.499 -13.480 -7.160 636 HA CYS 91 HA CYS 91 100.994 -10.617 -7.319 637 1HB CYS 91 1HB CYS 91 100.816 -12.398 -9.140 638 2HB CYS 91 2HB CYS 91 99.318 -12.912 -8.365 639 H GLU 92 H GLU 92 98.975 -13.388 -6.254 640 HA GLU 92 HA GLU 92 96.789 -11.844 -5.280 641 1HB GLU 92 1HB GLU 92 96.960 -14.334 -5.758 642 2HB GLU 92 2HB GLU 92 97.807 -14.492 -4.219 643 1HG GLU 92 1HG GLU 92 95.905 -14.228 -3.006 644 2HG GLU 92 2HG GLU 92 95.305 -12.945 -4.059 645 H ALA 93 H ALA 93 99.878 -12.708 -3.793 646 HA ALA 93 HA ALA 93 99.145 -12.005 -1.081 647 1HB ALA 93 1HB ALA 93 101.375 -13.015 -2.559 648 2HB ALA 93 2HB ALA 93 101.937 -11.644 -1.605 649 3HB ALA 93 3HB ALA 93 101.150 -13.007 -0.811 650 H PHE 94 H PHE 94 100.676 -10.231 -3.764 651 HA PHE 94 HA PHE 94 101.296 -7.839 -2.320 652 1HB PHE 94 1HB PHE 94 102.085 -8.617 -4.607 653 2HB PHE 94 2HB PHE 94 100.513 -8.122 -5.235 654 HD1 PHE 94 HD1 PHE 94 99.816 -5.740 -5.148 655 HD2 PHE 94 HD2 PHE 94 103.755 -6.994 -3.983 656 HE1 PHE 94 HE1 PHE 94 100.605 -3.393 -5.292 657 HE2 PHE 94 HE2 PHE 94 104.544 -4.647 -4.126 658 HZ PHE 94 HZ PHE 94 102.969 -2.847 -4.780 659 H ILE 95 H ILE 95 98.341 -8.928 -3.962 660 HA ILE 95 HA ILE 95 96.919 -6.441 -3.901 661 HB ILE 95 HB ILE 95 95.985 -9.329 -3.780 662 1HG1 ILE 95 1HG1 ILE 95 97.437 -8.792 -5.716 663 2HG1 ILE 95 2HG1 ILE 95 95.774 -9.085 -6.226 664 1HG2 ILE 95 1HG2 ILE 95 94.311 -7.469 -3.161 665 2HG2 ILE 95 2HG2 ILE 95 94.446 -6.956 -4.843 666 3HG2 ILE 95 3HG2 ILE 95 93.840 -8.567 -4.458 667 1HD1 ILE 95 1HD1 ILE 95 95.731 -6.387 -5.712 668 2HD1 ILE 95 2HD1 ILE 95 97.362 -6.608 -6.346 669 3HD1 ILE 95 3HD1 ILE 95 95.969 -7.099 -7.309 670 H CYS 96 H CYS 96 96.983 -9.179 -1.597 671 HA CYS 96 HA CYS 96 95.131 -8.105 0.292 672 1HB CYS 96 1HB CYS 96 96.647 -10.394 -0.071 673 2HB CYS 96 2HB CYS 96 97.367 -9.680 1.371 674 H ASN 97 H ASN 97 98.594 -7.572 -0.187 675 HA ASN 97 HA ASN 97 99.074 -6.210 2.319 676 1HB ASN 97 1HB ASN 97 100.419 -6.526 -0.348 677 2HB ASN 97 2HB ASN 97 101.043 -5.328 0.784 678 1HD2 ASN 97 2HD2 ASN 97 102.884 -7.149 0.457 679 2HD2 ASN 97 1HD2 ASN 97 102.889 -8.343 1.658 680 H CYS 98 H CYS 98 97.863 -5.207 -0.833 681 HA CYS 98 HA CYS 98 98.217 -2.361 -0.463 682 1HB CYS 98 1HB CYS 98 96.354 -4.038 -2.176 683 2HB CYS 98 2HB CYS 98 96.576 -2.300 -2.368 684 H ASP 99 H ASP 99 95.339 -4.484 -0.180 685 HA ASP 99 HA ASP 99 93.610 -2.436 0.881 686 1HB ASP 99 1HB ASP 99 93.623 -5.464 0.855 687 2HB ASP 99 2HB ASP 99 92.289 -4.539 1.546 688 H ARG 100 H ARG 100 95.751 -4.845 2.367 689 HA ARG 100 HA ARG 100 94.902 -4.527 5.088 690 1HB ARG 100 1HB ARG 100 96.303 -6.365 4.233 691 2HB ARG 100 2HB ARG 100 97.588 -5.222 3.850 692 1HG ARG 100 1HG ARG 100 98.353 -5.828 5.920 693 2HG ARG 100 2HG ARG 100 97.196 -4.610 6.456 694 1HD ARG 100 1HD ARG 100 96.871 -6.707 7.724 695 2HD ARG 100 2HD ARG 100 95.467 -6.409 6.686 696 HE ARG 100 HE ARG 100 96.044 -8.490 5.744 697 1HH1 ARG 100 1HH2 ARG 100 98.597 -8.479 7.562 698 2HH1 ARG 100 2HH2 ARG 100 99.807 -8.780 6.360 699 1HH2 ARG 100 1HH1 ARG 100 97.713 -8.076 3.690 700 2HH2 ARG 100 2HH1 ARG 100 99.307 -8.553 4.171 701 H ASN 101 H ASN 101 97.648 -3.093 3.321 702 HA ASN 101 HA ASN 101 98.528 -1.322 5.370 703 1HB ASN 101 1HB ASN 101 98.714 -1.507 2.376 704 2HB ASN 101 2HB ASN 101 99.378 -0.097 3.197 705 1HD2 ASN 101 1HD2 ASN 101 101.339 -1.417 2.051 706 2HD2 ASN 101 2HD2 ASN 101 102.172 -2.441 3.111 707 H ALA 102 H ALA 102 95.973 -1.010 2.945 708 HA ALA 102 HA ALA 102 95.552 1.842 3.329 709 1HB ALA 102 1HB ALA 102 94.868 -0.037 1.480 710 2HB ALA 102 2HB ALA 102 93.351 0.099 2.371 711 3HB ALA 102 3HB ALA 102 94.062 1.526 1.617 712 H ALA 103 H ALA 103 93.727 -1.065 4.388 713 HA ALA 103 HA ALA 103 91.796 0.324 5.970 714 1HB ALA 103 1HB ALA 103 92.992 -2.461 6.157 715 2HB ALA 103 2HB ALA 103 91.527 -1.952 6.996 716 3HB ALA 103 3HB ALA 103 91.565 -1.994 5.232 717 H ILE 104 H ILE 104 94.971 -1.076 6.808 718 HA ILE 104 HA ILE 104 94.897 -0.609 9.616 719 HB ILE 104 HB ILE 104 97.070 -0.745 7.518 720 1HG1 ILE 104 1HG1 ILE 104 96.302 -2.602 9.794 721 2HG1 ILE 104 2HG1 ILE 104 95.761 -2.795 8.126 722 1HG2 ILE 104 1HG2 ILE 104 97.246 0.049 10.371 723 2HG2 ILE 104 2HG2 ILE 104 98.404 -1.173 9.845 724 3HG2 ILE 104 3HG2 ILE 104 98.347 0.392 9.036 725 1HD1 ILE 104 1HD1 ILE 104 98.140 -2.920 7.400 726 2HD1 ILE 104 2HD1 ILE 104 98.635 -2.827 9.091 727 3HD1 ILE 104 3HD1 ILE 104 97.712 -4.216 8.518 728 H CYS 105 H CYS 105 95.681 1.521 6.901 729 HA CYS 105 HA CYS 105 96.829 3.695 8.348 730 1HB CYS 105 1HB CYS 105 96.577 3.169 5.804 731 2HB CYS 105 2HB CYS 105 95.017 3.973 5.953 732 H PHE 106 H PHE 106 93.441 3.002 7.456 733 HA PHE 106 HA PHE 106 92.178 5.287 8.469 734 1HB PHE 106 1HB PHE 106 91.308 2.380 8.587 735 2HB PHE 106 2HB PHE 106 90.230 3.770 8.670 736 HD1 PHE 106 HD1 PHE 106 92.136 5.329 6.602 737 HD2 PHE 106 HD2 PHE 106 90.055 1.569 6.584 738 HE1 PHE 106 HE1 PHE 106 92.037 5.396 4.126 739 HE2 PHE 106 HE2 PHE 106 89.958 1.637 4.108 740 HZ PHE 106 HZ PHE 106 90.948 3.549 2.878 741 H SER 107 H SER 107 93.234 2.346 10.128 742 HA SER 107 HA SER 107 92.290 3.315 12.752 743 1HB SER 107 1HB SER 107 92.868 1.116 13.457 744 2HB SER 107 2HB SER 107 92.289 0.912 11.806 745 HG SER 107 HG SER 107 94.660 1.274 11.304 746 H LYS 108 H LYS 108 94.972 3.949 10.851 747 HA LYS 108 HA LYS 108 96.797 4.221 13.213 748 1HB LYS 108 1HB LYS 108 97.092 3.707 10.285 749 2HB LYS 108 2HB LYS 108 98.387 4.600 11.085 750 1HG LYS 108 1HG LYS 108 97.488 2.282 12.631 751 2HG LYS 108 2HG LYS 108 98.129 1.841 11.048 752 1HD LYS 108 1HD LYS 108 99.699 3.883 12.501 753 2HD LYS 108 2HD LYS 108 99.686 2.284 13.247 754 1HE LYS 108 1HE LYS 108 100.621 1.252 11.318 755 2HE LYS 108 2HE LYS 108 100.253 2.654 10.294 756 1HZ LYS 108 1HZ LYS 108 101.818 3.230 12.664 757 2HZ LYS 108 2HZ LYS 108 102.614 2.279 11.507 758 3HZ LYS 108 3HZ LYS 108 102.003 3.803 11.074 759 H VAL 109 H VAL 109 95.046 5.994 10.768 760 HA VAL 109 HA VAL 109 96.454 8.516 11.575 761 HB VAL 109 HB VAL 109 95.682 9.344 9.393 762 1HG1 VAL 109 1HG1 VAL 109 96.958 6.595 9.343 763 2HG1 VAL 109 2HG1 VAL 109 96.869 7.656 7.937 764 3HG1 VAL 109 3HG1 VAL 109 97.785 8.153 9.360 765 1HG2 VAL 109 1HG2 VAL 109 93.745 7.307 9.709 766 2HG2 VAL 109 2HG2 VAL 109 93.909 8.418 8.350 767 3HG2 VAL 109 3HG2 VAL 109 94.709 6.848 8.306 768 HA PRO 110 HA PRO 110 92.731 9.979 13.384 769 1HB PRO 110 1HB PRO 110 92.891 12.656 12.840 770 2HB PRO 110 2HB PRO 110 93.924 11.851 14.039 771 1HG PRO 110 1HG PRO 110 94.551 12.684 11.255 772 2HG PRO 110 2HG PRO 110 95.570 12.718 12.702 773 1HD PRO 110 1HD PRO 110 95.748 10.807 10.748 774 2HD PRO 110 2HD PRO 110 96.236 10.551 12.438 775 H TYR 111 H TYR 111 90.628 11.036 12.831 776 HA TYR 111 HA TYR 111 90.103 11.058 9.874 777 1HB TYR 111 1HB TYR 111 89.152 9.067 10.753 778 2HB TYR 111 2HB TYR 111 88.618 9.877 12.226 779 HD1 TYR 111 HD1 TYR 111 88.249 10.577 8.553 780 HD2 TYR 111 HD2 TYR 111 86.302 10.036 12.342 781 HE1 TYR 111 HE1 TYR 111 86.057 11.060 7.495 782 HE2 TYR 111 HE2 TYR 111 84.110 10.517 11.286 783 HH TYR 111 HH TYR 111 83.487 11.994 8.944 784 H ASN 112 H ASN 112 89.580 13.145 9.303 785 HA ASN 112 HA ASN 112 88.195 14.872 11.319 786 1HB ASN 112 1HB ASN 112 90.080 15.280 9.021 787 2HB ASN 112 2HB ASN 112 89.002 16.601 9.473 788 1HD2 ASN 112 2HD2 ASN 112 91.809 14.744 10.484 789 2HD2 ASN 112 1HD2 ASN 112 92.146 15.654 11.878 790 H LYS 113 H LYS 113 86.087 13.854 10.766 791 HA LYS 113 HA LYS 113 84.840 13.543 8.325 792 1HB LYS 113 1HB LYS 113 82.758 14.184 9.579 793 2HB LYS 113 2HB LYS 113 83.799 13.080 10.480 794 1HG LYS 113 1HG LYS 113 84.705 14.898 11.792 795 2HG LYS 113 2HG LYS 113 83.868 16.092 10.799 796 1HD LYS 113 1HD LYS 113 82.591 14.029 12.615 797 2HD LYS 113 2HD LYS 113 82.601 15.777 12.845 798 1HE LYS 113 1HE LYS 113 81.494 15.758 10.417 799 2HE LYS 113 2HE LYS 113 80.991 14.134 10.930 800 1HZ LYS 113 1HZ LYS 113 80.762 16.373 12.820 801 2HZ LYS 113 2HZ LYS 113 79.580 16.199 11.613 802 3HZ LYS 113 3HZ LYS 113 79.848 14.948 12.730 803 H GLU 114 H GLU 114 85.764 16.591 9.813 804 HA GLU 114 HA GLU 114 84.112 18.397 8.428 805 1HB GLU 114 1HB GLU 114 85.819 18.775 10.298 806 2HB GLU 114 2HB GLU 114 87.053 18.777 9.036 807 1HG GLU 114 1HG GLU 114 86.604 21.023 9.010 808 2HG GLU 114 2HG GLU 114 85.289 20.516 7.948 809 H HIS 115 H HIS 115 86.677 16.391 7.297 810 HA HIS 115 HA HIS 115 87.005 17.928 4.780 811 1HB HIS 115 1HB HIS 115 88.386 15.747 6.284 812 2HB HIS 115 2HB HIS 115 88.615 15.798 4.537 813 HD1 HIS 115 HD1 HIS 115 90.655 16.658 7.003 814 HD2 HIS 115 HD2 HIS 115 88.727 19.135 4.261 815 HE1 HIS 115 HE1 HIS 115 91.993 18.805 6.916 816 H LYS 116 H LYS 116 84.790 15.781 5.935 817 HA LYS 116 HA LYS 116 84.649 13.792 3.856 818 1HB LYS 116 1HB LYS 116 83.643 14.090 6.302 819 2HB LYS 116 2HB LYS 116 82.284 14.767 5.406 820 1HG LYS 116 1HG LYS 116 82.680 12.586 3.916 821 2HG LYS 116 2HG LYS 116 83.342 11.982 5.435 822 1HD LYS 116 1HD LYS 116 80.672 13.376 5.377 823 2HD LYS 116 2HD LYS 116 80.799 11.659 4.991 824 1HE LYS 116 1HE LYS 116 82.349 12.027 7.329 825 2HE LYS 116 2HE LYS 116 80.835 12.916 7.593 826 1HZ LYS 116 1HZ LYS 116 80.926 10.185 6.443 827 2HZ LYS 116 2HZ LYS 116 80.734 10.472 8.103 828 3HZ LYS 116 3HZ LYS 116 79.564 11.029 7.005 829 H ASN 117 H ASN 117 83.445 13.844 1.928 830 HA ASN 117 HA ASN 117 82.461 14.895 0.044 831 1HB ASN 117 1HB ASN 117 80.900 16.163 2.321 832 2HB ASN 117 2HB ASN 117 80.345 15.992 0.655 833 1HD2 ASN 117 2HD2 ASN 117 80.531 14.396 3.714 834 2HD2 ASN 117 1HD2 ASN 117 79.971 12.878 3.202 835 H LEU 118 H LEU 118 84.824 16.136 0.534 836 HA LEU 118 HA LEU 118 84.631 18.926 1.121 837 1HB LEU 118 1HB LEU 118 86.684 17.944 1.572 838 2HB LEU 118 2HB LEU 118 86.563 16.873 0.195 839 HG LEU 118 HG LEU 118 86.875 18.927 -1.256 840 1HD1 LEU 118 1HD1 LEU 118 86.639 20.279 1.119 841 2HD1 LEU 118 2HD1 LEU 118 88.392 20.183 0.951 842 3HD1 LEU 118 3HD1 LEU 118 87.425 20.943 -0.313 843 1HD2 LEU 118 1HD2 LEU 118 88.995 17.734 0.515 844 2HD2 LEU 118 2HD2 LEU 118 88.652 17.380 -1.178 845 3HD2 LEU 118 3HD2 LEU 118 89.408 18.910 -0.732 846 H ASP 119 H ASP 119 85.465 20.485 -0.627 847 HA ASP 119 HA ASP 119 83.742 20.284 -2.993 848 1HB ASP 119 1HB ASP 119 84.305 22.325 -1.485 849 2HB ASP 119 2HB ASP 119 85.810 22.402 -2.403 850 H LYS 120 H LYS 120 84.433 19.391 -4.888 851 HA LYS 120 HA LYS 120 86.898 18.221 -5.409 852 1HB LYS 120 1HB LYS 120 84.776 19.505 -7.125 853 2HB LYS 120 2HB LYS 120 86.180 18.729 -7.859 854 1HG LYS 120 1HG LYS 120 85.572 16.728 -6.282 855 2HG LYS 120 2HG LYS 120 83.985 17.494 -6.215 856 1HD LYS 120 1HD LYS 120 83.467 16.800 -8.297 857 2HD LYS 120 2HD LYS 120 85.004 17.378 -8.941 858 1HE LYS 120 1HE LYS 120 86.031 15.278 -7.784 859 2HE LYS 120 2HE LYS 120 84.360 14.679 -7.756 860 1HZ LYS 120 1HZ LYS 120 84.567 15.730 -10.231 861 2HZ LYS 120 2HZ LYS 120 86.122 15.089 -10.007 862 3HZ LYS 120 3HZ LYS 120 84.761 14.082 -9.865 863 H LYS 121 H LYS 121 86.082 21.610 -5.429 864 HA LYS 121 HA LYS 121 88.255 22.547 -7.090 865 1HB LYS 121 1HB LYS 121 86.118 23.566 -5.375 866 2HB LYS 121 2HB LYS 121 87.575 24.558 -5.300 867 1HG LYS 121 1HG LYS 121 86.433 25.470 -7.130 868 2HG LYS 121 2HG LYS 121 87.559 24.349 -7.894 869 1HD LYS 121 1HD LYS 121 85.037 23.079 -7.102 870 2HD LYS 121 2HD LYS 121 84.822 24.370 -8.284 871 1HE LYS 121 1HE LYS 121 86.979 23.117 -9.363 872 2HE LYS 121 2HE LYS 121 86.163 21.739 -8.596 873 1HZ LYS 121 1HZ LYS 121 84.488 23.685 -9.987 874 2HZ LYS 121 2HZ LYS 121 85.430 22.657 -10.958 875 3HZ LYS 121 3HZ LYS 121 84.312 22.003 -9.858 876 H ASN 122 H ASN 122 88.147 21.249 -3.986 877 HA ASN 122 HA ASN 122 90.627 22.621 -3.061 878 1HB ASN 122 1HB ASN 122 88.403 20.980 -1.917 879 2HB ASN 122 2HB ASN 122 89.969 20.894 -1.117 880 1HD2 ASN 122 2HD2 ASN 122 87.510 23.262 -2.236 881 2HD2 ASN 122 1HD2 ASN 122 87.890 24.441 -1.076 882 H CYS 123 H CYS 123 89.514 19.935 -4.730 883 HA CYS 123 HA CYS 123 91.741 18.134 -3.982 884 1HB CYS 123 1HB CYS 123 89.090 18.046 -5.334 885 2HB CYS 123 2HB CYS 123 90.267 16.847 -5.832 Start of MODEL 10 1 1H ALA 1 1H ALA 1 84.142 -5.228 -7.265 2 2H ALA 1 2H ALA 1 83.478 -6.660 -7.888 3 3H ALA 1 3H ALA 1 82.583 -5.715 -6.796 4 HA ALA 1 HA ALA 1 83.346 -7.354 -5.388 5 1HB ALA 1 1HB ALA 1 85.628 -7.293 -7.356 6 2HB ALA 1 2HB ALA 1 85.815 -8.119 -5.809 7 3HB ALA 1 3HB ALA 1 84.566 -8.637 -6.941 8 H LEU 2 H LEU 2 83.140 -5.264 -4.129 9 HA LEU 2 HA LEU 2 85.830 -4.388 -3.142 10 1HB LEU 2 1HB LEU 2 83.730 -2.907 -4.510 11 2HB LEU 2 2HB LEU 2 84.075 -2.206 -2.928 12 HG LEU 2 HG LEU 2 86.316 -2.964 -4.796 13 1HD1 LEU 2 1HD1 LEU 2 84.742 -1.451 -6.010 14 2HD1 LEU 2 2HD1 LEU 2 84.893 -0.286 -4.696 15 3HD1 LEU 2 3HD1 LEU 2 86.298 -0.689 -5.682 16 1HD2 LEU 2 1HD2 LEU 2 86.042 -1.784 -2.187 17 2HD2 LEU 2 2HD2 LEU 2 87.522 -2.175 -3.065 18 3HD2 LEU 2 3HD2 LEU 2 86.762 -0.598 -3.278 19 H TRP 3 H TRP 3 83.014 -5.900 -2.361 20 HA TRP 3 HA TRP 3 82.307 -4.610 0.140 21 1HB TRP 3 1HB TRP 3 80.805 -6.458 0.340 22 2HB TRP 3 2HB TRP 3 80.921 -6.137 -1.389 23 HD1 TRP 3 HD1 TRP 3 82.810 -7.712 -2.724 24 HE1 TRP 3 HE1 TRP 3 83.321 -10.213 -2.373 25 HE3 TRP 3 HE3 TRP 3 80.839 -8.377 1.943 26 HZ2 TRP 3 HZ2 TRP 3 82.948 -12.226 -0.386 27 HZ3 TRP 3 HZ3 TRP 3 80.930 -10.599 3.039 28 HH2 TRP 3 HH2 TRP 3 81.983 -12.522 1.879 29 H GLN 4 H GLN 4 84.592 -7.129 -0.800 30 HA GLN 4 HA GLN 4 85.088 -8.189 1.835 31 1HB GLN 4 1HB GLN 4 86.494 -8.119 -0.829 32 2HB GLN 4 2HB GLN 4 87.321 -8.790 0.578 33 1HG GLN 4 1HG GLN 4 84.919 -10.024 0.818 34 2HG GLN 4 2HG GLN 4 85.000 -9.853 -0.936 35 1HE2 GLN 4 2HE2 GLN 4 85.353 -12.198 -1.187 36 2HE2 GLN 4 1HE2 GLN 4 86.852 -12.895 -0.799 37 H PHE 5 H PHE 5 86.834 -5.760 -0.136 38 HA PHE 5 HA PHE 5 88.885 -5.059 1.642 39 1HB PHE 5 1HB PHE 5 88.749 -4.173 -0.590 40 2HB PHE 5 2HB PHE 5 87.176 -3.442 -0.268 41 HD1 PHE 5 HD1 PHE 5 90.280 -3.477 1.816 42 HD2 PHE 5 HD2 PHE 5 87.497 -1.119 -0.452 43 HE1 PHE 5 HE1 PHE 5 91.404 -1.407 2.590 44 HE2 PHE 5 HE2 PHE 5 88.622 0.952 0.323 45 HZ PHE 5 HZ PHE 5 90.574 0.808 1.844 46 H ASN 6 H ASN 6 85.460 -4.203 1.737 47 HA ASN 6 HA ASN 6 85.646 -2.144 3.746 48 1HB ASN 6 1HB ASN 6 83.590 -3.859 2.444 49 2HB ASN 6 2HB ASN 6 83.144 -3.152 3.997 50 1HD2 ASN 6 2HD2 ASN 6 81.697 -1.539 3.167 51 2HD2 ASN 6 1HD2 ASN 6 82.219 -0.258 2.184 52 H GLY 7 H GLY 7 85.106 -5.666 3.884 53 1HA GLY 7 1HA GLY 7 84.574 -5.889 6.659 54 2HA GLY 7 2HA GLY 7 85.323 -7.158 5.687 55 H MET 8 H MET 8 87.571 -5.380 4.911 56 HA MET 8 HA MET 8 89.387 -6.023 7.059 57 1HB MET 8 1HB MET 8 89.428 -4.486 4.475 58 2HB MET 8 2HB MET 8 90.815 -4.378 5.562 59 1HG MET 8 1HG MET 8 90.597 -7.007 5.611 60 2HG MET 8 2HG MET 8 89.749 -6.762 4.084 61 1HE MET 8 1HE MET 8 91.468 -8.449 3.770 62 2HE MET 8 2HE MET 8 92.675 -8.005 2.565 63 3HE MET 8 3HE MET 8 93.160 -8.233 4.243 64 H ILE 9 H ILE 9 87.957 -2.950 5.911 65 HA ILE 9 HA ILE 9 89.225 -1.241 7.823 66 HB ILE 9 HB ILE 9 86.519 -1.037 6.457 67 1HG1 ILE 9 1HG1 ILE 9 89.271 -0.097 5.580 68 2HG1 ILE 9 2HG1 ILE 9 88.381 -1.449 4.879 69 1HG2 ILE 9 1HG2 ILE 9 86.913 0.582 8.325 70 2HG2 ILE 9 2HG2 ILE 9 88.367 1.134 7.494 71 3HG2 ILE 9 3HG2 ILE 9 86.784 1.368 6.752 72 1HD1 ILE 9 1HD1 ILE 9 87.377 1.411 4.956 73 2HD1 ILE 9 2HD1 ILE 9 88.133 0.653 3.554 74 3HD1 ILE 9 3HD1 ILE 9 86.593 0.045 4.162 75 H LYS 10 H LYS 10 86.548 -3.465 8.096 76 HA LYS 10 HA LYS 10 85.478 -2.268 10.560 77 1HB LYS 10 1HB LYS 10 84.954 -4.659 8.814 78 2HB LYS 10 2HB LYS 10 84.236 -4.590 10.424 79 1HG LYS 10 1HG LYS 10 83.996 -2.130 8.777 80 2HG LYS 10 2HG LYS 10 83.043 -3.519 8.251 81 1HD LYS 10 1HD LYS 10 83.019 -2.872 11.162 82 2HD LYS 10 2HD LYS 10 82.127 -1.795 10.087 83 1HE LYS 10 1HE LYS 10 81.522 -4.440 9.246 84 2HE LYS 10 2HE LYS 10 81.357 -4.409 11.013 85 1HZ LYS 10 1HZ LYS 10 80.199 -2.195 10.656 86 2HZ LYS 10 2HZ LYS 10 80.071 -2.635 9.023 87 3HZ LYS 10 3HZ LYS 10 79.328 -3.587 10.218 88 H CYS 11 H CYS 11 87.681 -4.878 9.655 89 HA CYS 11 HA CYS 11 87.769 -6.220 12.167 90 1HB CYS 11 1HB CYS 11 88.572 -7.041 9.932 91 2HB CYS 11 2HB CYS 11 89.923 -5.916 10.058 92 H LYS 12 H LYS 12 89.966 -3.799 10.727 93 HA LYS 12 HA LYS 12 91.544 -3.473 13.141 94 1HB LYS 12 1HB LYS 12 91.173 -1.622 10.763 95 2HB LYS 12 2HB LYS 12 92.554 -1.661 11.857 96 1HG LYS 12 1HG LYS 12 92.176 -4.308 10.878 97 2HG LYS 12 2HG LYS 12 92.123 -3.219 9.492 98 1HD LYS 12 1HD LYS 12 94.408 -3.505 9.647 99 2HD LYS 12 2HD LYS 12 94.219 -2.129 10.735 100 1HE LYS 12 1HE LYS 12 93.719 -4.341 12.370 101 2HE LYS 12 2HE LYS 12 95.087 -4.843 11.357 102 1HZ LYS 12 1HZ LYS 12 95.878 -2.423 11.809 103 2HZ LYS 12 2HZ LYS 12 94.870 -2.540 13.172 104 3HZ LYS 12 3HZ LYS 12 96.155 -3.630 12.973 105 H ILE 13 H ILE 13 88.709 -1.867 11.771 106 HA ILE 13 HA ILE 13 88.489 -0.257 14.290 107 HB ILE 13 HB ILE 13 87.678 0.593 11.495 108 1HG1 ILE 13 1HG1 ILE 13 90.188 1.313 13.043 109 2HG1 ILE 13 2HG1 ILE 13 90.138 0.222 11.658 110 1HG2 ILE 13 1HG2 ILE 13 86.972 1.595 13.969 111 2HG2 ILE 13 2HG2 ILE 13 88.351 2.602 13.529 112 3HG2 ILE 13 3HG2 ILE 13 86.951 2.509 12.460 113 1HD1 ILE 13 1HD1 ILE 13 88.771 2.517 10.808 114 2HD1 ILE 13 2HD1 ILE 13 90.164 3.128 11.702 115 3HD1 ILE 13 3HD1 ILE 13 90.400 2.031 10.340 116 HA PRO 14 HA PRO 14 84.689 -2.774 13.550 117 1HB PRO 14 1HB PRO 14 84.524 -3.768 16.093 118 2HB PRO 14 2HB PRO 14 85.489 -4.538 14.819 119 1HG PRO 14 1HG PRO 14 86.363 -2.828 17.081 120 2HG PRO 14 2HG PRO 14 87.168 -4.215 16.334 121 1HD PRO 14 1HD PRO 14 87.832 -1.582 15.868 122 2HD PRO 14 2HD PRO 14 88.194 -2.925 14.763 123 H SER 15 H SER 15 85.654 -0.649 16.218 124 HA SER 15 HA SER 15 83.003 -0.085 17.202 125 1HB SER 15 1HB SER 15 84.152 1.429 18.573 126 2HB SER 15 2HB SER 15 85.429 0.292 18.153 127 HG SER 15 HG SER 15 84.932 2.890 17.197 128 H SER 16 H SER 16 84.554 0.770 14.298 129 HA SER 16 HA SER 16 82.617 3.026 13.889 130 1HB SER 16 1HB SER 16 85.516 2.887 13.753 131 2HB SER 16 2HB SER 16 84.841 3.396 12.208 132 HG SER 16 HG SER 16 84.164 4.500 14.738 133 H GLU 17 H GLU 17 81.531 2.996 11.908 134 HA GLU 17 HA GLU 17 81.872 0.540 10.258 135 1HB GLU 17 1HB GLU 17 79.707 2.648 10.121 136 2HB GLU 17 2HB GLU 17 79.611 0.965 9.609 137 1HG GLU 17 1HG GLU 17 79.881 1.963 12.459 138 2HG GLU 17 2HG GLU 17 78.452 1.219 11.741 139 HA PRO 18 HA PRO 18 83.827 3.029 7.164 140 1HB PRO 18 1HB PRO 18 83.793 1.176 5.154 141 2HB PRO 18 2HB PRO 18 84.922 1.101 6.519 142 1HG PRO 18 1HG PRO 18 82.422 -0.432 6.045 143 2HG PRO 18 2HG PRO 18 83.942 -0.950 6.790 144 1HD PRO 18 1HD PRO 18 81.677 -0.291 8.197 145 2HD PRO 18 2HD PRO 18 83.325 -0.209 8.856 146 H LEU 19 H LEU 19 80.660 1.593 6.862 147 HA LEU 19 HA LEU 19 79.959 2.707 4.285 148 1HB LEU 19 1HB LEU 19 78.627 1.419 6.624 149 2HB LEU 19 2HB LEU 19 77.596 2.323 5.513 150 HG LEU 19 HG LEU 19 79.608 0.361 4.438 151 1HD1 LEU 19 1HD1 LEU 19 77.253 -0.247 6.060 152 2HD1 LEU 19 2HD1 LEU 19 77.164 -0.968 4.455 153 3HD1 LEU 19 3HD1 LEU 19 78.536 -1.320 5.505 154 1HD2 LEU 19 1HD2 LEU 19 77.912 2.142 3.246 155 2HD2 LEU 19 2HD2 LEU 19 78.476 0.657 2.478 156 3HD2 LEU 19 3HD2 LEU 19 76.905 0.694 3.280 157 H LEU 20 H LEU 20 80.412 4.116 7.363 158 HA LEU 20 HA LEU 20 79.036 6.608 6.430 159 1HB LEU 20 1HB LEU 20 78.554 6.819 9.021 160 2HB LEU 20 2HB LEU 20 77.506 5.823 8.014 161 HG LEU 20 HG LEU 20 79.892 4.454 9.120 162 1HD1 LEU 20 1HD1 LEU 20 77.557 5.288 10.869 163 2HD1 LEU 20 2HD1 LEU 20 78.822 4.149 11.330 164 3HD1 LEU 20 3HD1 LEU 20 79.222 5.843 11.041 165 1HD2 LEU 20 1HD2 LEU 20 77.216 3.876 8.141 166 2HD2 LEU 20 2HD2 LEU 20 78.586 2.783 8.344 167 3HD2 LEU 20 3HD2 LEU 20 77.500 3.098 9.698 168 H ASP 21 H ASP 21 81.933 5.413 6.853 169 HA ASP 21 HA ASP 21 83.004 7.884 8.167 170 1HB ASP 21 1HB ASP 21 83.644 4.963 8.603 171 2HB ASP 21 2HB ASP 21 84.799 6.225 9.035 172 H PHE 22 H PHE 22 84.266 4.974 6.488 173 HA PHE 22 HA PHE 22 86.143 6.683 4.962 174 1HB PHE 22 1HB PHE 22 85.717 3.677 4.996 175 2HB PHE 22 2HB PHE 22 87.131 4.528 4.374 176 HD1 PHE 22 HD1 PHE 22 88.333 6.143 6.064 177 HD2 PHE 22 HD2 PHE 22 85.712 2.941 7.217 178 HE1 PHE 22 HE1 PHE 22 89.336 6.139 8.333 179 HE2 PHE 22 HE2 PHE 22 86.713 2.937 9.486 180 HZ PHE 22 HZ PHE 22 88.525 4.536 10.044 181 H ASN 23 H ASN 23 83.372 7.054 4.297 182 HA ASN 23 HA ASN 23 83.179 5.722 1.616 183 1HB ASN 23 1HB ASN 23 81.377 5.223 3.218 184 2HB ASN 23 2HB ASN 23 81.086 6.947 3.445 185 1HD2 ASN 23 2HD2 ASN 23 80.290 4.220 1.487 186 2HD2 ASN 23 1HD2 ASN 23 79.424 5.055 0.290 187 H ASN 24 H ASN 24 83.682 7.100 -0.048 188 HA ASN 24 HA ASN 24 84.048 9.131 -1.214 189 1HB ASN 24 1HB ASN 24 81.608 8.906 -1.284 190 2HB ASN 24 2HB ASN 24 81.472 9.656 0.307 191 1HD2 ASN 24 2HD2 ASN 24 80.197 10.791 -2.008 192 2HD2 ASN 24 1HD2 ASN 24 80.946 12.277 -2.348 193 H TYR 25 H TYR 25 85.955 9.528 0.281 194 HA TYR 25 HA TYR 25 85.477 11.992 1.918 195 1HB TYR 25 1HB TYR 25 85.575 10.078 3.410 196 2HB TYR 25 2HB TYR 25 87.028 9.478 2.612 197 HD1 TYR 25 HD1 TYR 25 85.657 12.141 4.792 198 HD2 TYR 25 HD2 TYR 25 89.198 10.417 3.077 199 HE1 TYR 25 HE1 TYR 25 87.059 13.490 6.330 200 HE2 TYR 25 HE2 TYR 25 90.600 11.766 4.616 201 HH TYR 25 HH TYR 25 90.249 12.866 6.935 202 H GLY 26 H GLY 26 87.426 13.340 2.112 203 1HA GLY 26 1HA GLY 26 89.198 14.460 1.019 204 2HA GLY 26 2HA GLY 26 89.977 12.884 1.148 205 H CYS 27 H CYS 27 90.966 13.687 -0.941 206 HA CYS 27 HA CYS 27 89.199 13.623 -3.305 207 1HB CYS 27 1HB CYS 27 91.467 14.975 -2.620 208 2HB CYS 27 2HB CYS 27 92.149 13.663 -3.582 209 H TYR 28 H TYR 28 91.301 11.439 -1.554 210 HA TYR 28 HA TYR 28 91.406 9.558 -3.859 211 1HB TYR 28 1HB TYR 28 92.673 9.540 -1.099 212 2HB TYR 28 2HB TYR 28 93.031 8.392 -2.390 213 HD1 TYR 28 HD1 TYR 28 94.049 9.207 -4.539 214 HD2 TYR 28 HD2 TYR 28 93.621 11.737 -1.093 215 HE1 TYR 28 HE1 TYR 28 95.689 10.798 -5.504 216 HE2 TYR 28 HE2 TYR 28 95.261 13.328 -2.059 217 HH TYR 28 HH TYR 28 96.989 12.589 -5.061 218 H CYS 29 H CYS 29 90.516 9.455 -0.369 219 HA CYS 29 HA CYS 29 89.367 6.877 -0.331 220 1HB CYS 29 1HB CYS 29 88.520 9.395 1.142 221 2HB CYS 29 2HB CYS 29 88.159 7.745 1.645 222 H GLY 30 H GLY 30 87.764 6.139 -1.678 223 1HA GLY 30 1HA GLY 30 85.198 6.495 -1.868 224 2HA GLY 30 2HA GLY 30 85.650 8.066 -2.530 225 H LEU 31 H LEU 31 84.423 7.226 -4.451 226 HA LEU 31 HA LEU 31 85.728 5.098 -6.023 227 1HB LEU 31 1HB LEU 31 83.274 5.343 -5.876 228 2HB LEU 31 2HB LEU 31 83.393 6.961 -6.568 229 HG LEU 31 HG LEU 31 84.754 4.887 -8.150 230 1HD1 LEU 31 1HD1 LEU 31 82.004 4.488 -7.223 231 2HD1 LEU 31 2HD1 LEU 31 82.133 4.530 -8.981 232 3HD1 LEU 31 3HD1 LEU 31 83.081 3.366 -8.055 233 1HD2 LEU 31 1HD2 LEU 31 83.905 7.442 -8.544 234 2HD2 LEU 31 2HD2 LEU 31 84.187 6.300 -9.858 235 3HD2 LEU 31 3HD2 LEU 31 82.554 6.549 -9.241 236 H GLY 32 H GLY 32 84.874 8.535 -6.622 237 1HA GLY 32 1HA GLY 32 86.727 8.685 -8.874 238 2HA GLY 32 2HA GLY 32 85.789 10.025 -8.213 239 H GLY 33 H GLY 33 87.717 11.368 -8.289 240 1HA GLY 33 1HA GLY 33 89.050 12.200 -6.221 241 2HA GLY 33 2HA GLY 33 89.813 10.612 -6.302 242 H SER 34 H SER 34 91.016 13.314 -6.660 243 HA SER 34 HA SER 34 92.902 12.785 -8.681 244 1HB SER 34 1HB SER 34 90.276 13.628 -9.629 245 2HB SER 34 2HB SER 34 91.541 14.725 -10.176 246 HG SER 34 HG SER 34 92.658 12.918 -10.984 247 H GLY 35 H GLY 35 93.996 13.885 -6.832 248 1HA GLY 35 1HA GLY 35 95.007 16.361 -7.225 249 2HA GLY 35 2HA GLY 35 93.454 16.763 -6.494 250 H THR 36 H THR 36 95.574 17.579 -5.083 251 HA THR 36 HA THR 36 96.856 15.811 -3.286 252 HB THR 36 HB THR 36 95.904 18.682 -3.080 253 HG1 THR 36 HG1 THR 36 98.566 17.916 -3.243 254 1HG2 THR 36 1HG2 THR 36 96.424 17.318 -0.857 255 2HG2 THR 36 2HG2 THR 36 98.091 17.607 -1.349 256 3HG2 THR 36 3HG2 THR 36 97.006 18.968 -1.068 257 HA PRO 37 HA PRO 37 93.574 14.493 -0.658 258 1HB PRO 37 1HB PRO 37 95.029 13.866 1.574 259 2HB PRO 37 2HB PRO 37 95.028 12.865 0.109 260 1HG PRO 37 1HG PRO 37 97.052 14.824 1.060 261 2HG PRO 37 2HG PRO 37 97.279 13.272 0.241 262 1HD PRO 37 1HD PRO 37 97.469 15.696 -1.009 263 2HD PRO 37 2HD PRO 37 97.032 14.186 -1.837 264 H VAL 38 H VAL 38 92.962 14.906 1.854 265 HA VAL 38 HA VAL 38 93.427 17.820 2.415 266 HB VAL 38 HB VAL 38 91.064 17.916 3.046 267 1HG1 VAL 38 1HG1 VAL 38 91.915 17.923 0.557 268 2HG1 VAL 38 2HG1 VAL 38 91.066 16.379 0.463 269 3HG1 VAL 38 3HG1 VAL 38 90.183 17.847 0.882 270 1HG2 VAL 38 1HG2 VAL 38 91.102 15.471 3.857 271 2HG2 VAL 38 2HG2 VAL 38 89.638 16.009 3.034 272 3HG2 VAL 38 3HG2 VAL 38 90.825 15.030 2.172 273 H ASP 39 H ASP 39 93.450 14.593 3.626 274 HA ASP 39 HA ASP 39 94.244 15.588 6.303 275 1HB ASP 39 1HB ASP 39 91.829 15.406 6.460 276 2HB ASP 39 2HB ASP 39 91.860 13.803 5.724 277 H ASP 40 H ASP 40 95.154 13.771 7.628 278 HA ASP 40 HA ASP 40 97.011 12.159 6.268 279 1HB ASP 40 1HB ASP 40 95.631 12.020 8.949 280 2HB ASP 40 2HB ASP 40 96.836 10.815 8.495 281 H LEU 41 H LEU 41 93.665 11.383 7.233 282 HA LEU 41 HA LEU 41 93.701 8.604 6.580 283 1HB LEU 41 1HB LEU 41 91.951 10.035 7.806 284 2HB LEU 41 2HB LEU 41 91.375 10.506 6.205 285 HG LEU 41 HG LEU 41 91.055 8.117 5.630 286 1HD1 LEU 41 1HD1 LEU 41 91.974 7.731 8.491 287 2HD1 LEU 41 2HD1 LEU 41 91.140 6.483 7.565 288 3HD1 LEU 41 3HD1 LEU 41 92.714 7.075 7.031 289 1HD2 LEU 41 1HD2 LEU 41 89.196 9.437 6.624 290 2HD2 LEU 41 2HD2 LEU 41 89.102 7.733 7.071 291 3HD2 LEU 41 3HD2 LEU 41 89.707 8.917 8.230 292 H ASP 42 H ASP 42 92.892 11.463 4.594 293 HA ASP 42 HA ASP 42 92.164 10.120 2.201 294 1HB ASP 42 1HB ASP 42 92.110 12.623 2.952 295 2HB ASP 42 2HB ASP 42 93.745 12.688 2.293 296 H ARG 43 H ARG 43 95.343 11.071 3.470 297 HA ARG 43 HA ARG 43 96.959 10.472 1.218 298 1HB ARG 43 1HB ARG 43 97.255 10.504 4.207 299 2HB ARG 43 2HB ARG 43 98.596 9.916 3.224 300 1HG ARG 43 1HG ARG 43 97.582 12.314 2.034 301 2HG ARG 43 2HG ARG 43 97.867 12.616 3.748 302 1HD ARG 43 1HD ARG 43 99.870 12.987 2.208 303 2HD ARG 43 2HD ARG 43 100.166 11.897 3.568 304 HE ARG 43 HE ARG 43 99.208 10.297 1.495 305 1HH1 ARG 43 1HH1 ARG 43 102.073 11.073 2.885 306 2HH1 ARG 43 2HH1 ARG 43 103.060 10.839 1.480 307 1HH2 ARG 43 1HH2 ARG 43 100.370 10.568 -0.689 308 2HH2 ARG 43 2HH2 ARG 43 102.096 10.554 -0.542 309 H CYS 44 H CYS 44 95.692 8.384 3.794 310 HA CYS 44 HA CYS 44 97.103 6.019 3.173 311 1HB CYS 44 1HB CYS 44 94.304 6.468 4.254 312 2HB CYS 44 2HB CYS 44 95.209 4.962 4.400 313 H CYS 45 H CYS 45 94.059 7.323 1.893 314 HA CYS 45 HA CYS 45 93.360 5.055 0.267 315 1HB CYS 45 1HB CYS 45 92.730 8.015 0.209 316 2HB CYS 45 2HB CYS 45 91.979 6.867 -0.900 317 H GLN 46 H GLN 46 95.010 8.132 -0.532 318 HA GLN 46 HA GLN 46 95.483 7.744 -3.268 319 1HB GLN 46 1HB GLN 46 96.030 9.734 -1.818 320 2HB GLN 46 2HB GLN 46 97.419 8.840 -1.200 321 1HG GLN 46 1HG GLN 46 98.468 8.791 -3.336 322 2HG GLN 46 2HG GLN 46 96.992 9.300 -4.155 323 1HE2 GLN 46 2HE2 GLN 46 98.851 10.944 -4.895 324 2HE2 GLN 46 1HE2 GLN 46 98.920 12.376 -3.992 325 H THR 47 H THR 47 97.205 6.403 -0.485 326 HA THR 47 HA THR 47 99.333 5.162 -1.951 327 HB THR 47 HB THR 47 98.066 4.637 0.749 328 HG1 THR 47 HG1 THR 47 100.267 5.677 1.205 329 1HG2 THR 47 1HG2 THR 47 100.428 3.426 -0.640 330 2HG2 THR 47 2HG2 THR 47 100.498 3.672 1.105 331 3HG2 THR 47 3HG2 THR 47 99.234 2.659 0.406 332 H HIS 48 H HIS 48 96.074 4.156 -1.054 333 HA HIS 48 HA HIS 48 96.267 1.356 -1.540 334 1HB HIS 48 1HB HIS 48 94.376 2.578 -0.480 335 2HB HIS 48 2HB HIS 48 93.984 3.298 -2.039 336 HD1 HIS 48 HD1 HIS 48 92.221 2.073 -3.282 337 HD2 HIS 48 HD2 HIS 48 94.370 -0.485 -0.787 338 HE1 HIS 48 HE1 HIS 48 91.173 -0.220 -3.532 339 H ASP 49 H ASP 49 95.315 4.016 -3.703 340 HA ASP 49 HA ASP 49 94.973 2.489 -6.066 341 1HB ASP 49 1HB ASP 49 95.550 5.335 -5.326 342 2HB ASP 49 2HB ASP 49 95.653 4.875 -7.025 343 H ASN 50 H ASN 50 97.798 4.279 -4.839 344 HA ASN 50 HA ASN 50 99.625 3.730 -6.909 345 1HB ASN 50 1HB ASN 50 99.716 4.348 -3.982 346 2HB ASN 50 2HB ASN 50 101.220 3.870 -4.768 347 1HD2 ASN 50 2HD2 ASN 50 99.534 6.588 -3.955 348 2HD2 ASN 50 1HD2 ASN 50 100.033 7.627 -5.201 349 H CYS 51 H CYS 51 98.542 1.741 -4.213 350 HA CYS 51 HA CYS 51 100.568 -0.321 -4.473 351 1HB CYS 51 1HB CYS 51 98.978 0.336 -2.521 352 2HB CYS 51 2HB CYS 51 97.782 -0.650 -3.362 353 H TYR 52 H TYR 52 97.224 0.058 -5.660 354 HA TYR 52 HA TYR 52 96.980 -2.516 -6.890 355 1HB TYR 52 1HB TYR 52 95.718 0.202 -7.171 356 2HB TYR 52 2HB TYR 52 95.276 -1.082 -8.295 357 HD1 TYR 52 HD1 TYR 52 96.123 -1.179 -4.643 358 HD2 TYR 52 HD2 TYR 52 93.159 -1.875 -7.673 359 HE1 TYR 52 HE1 TYR 52 94.612 -2.152 -2.939 360 HE2 TYR 52 HE2 TYR 52 91.645 -2.848 -5.966 361 HH TYR 52 HH TYR 52 91.293 -2.824 -3.596 362 H LYS 53 H LYS 53 98.517 0.471 -7.917 363 HA LYS 53 HA LYS 53 98.778 -0.264 -10.733 364 1HB LYS 53 1HB LYS 53 100.617 1.626 -9.270 365 2HB LYS 53 2HB LYS 53 99.945 1.777 -10.891 366 1HG LYS 53 1HG LYS 53 97.799 1.720 -8.978 367 2HG LYS 53 2HG LYS 53 98.969 2.941 -8.503 368 1HD LYS 53 1HD LYS 53 97.978 4.276 -10.038 369 2HD LYS 53 2HD LYS 53 98.777 3.276 -11.252 370 1HE LYS 53 1HE LYS 53 96.771 1.720 -11.160 371 2HE LYS 53 2HE LYS 53 95.963 2.948 -10.164 372 1HZ LYS 53 1HZ LYS 53 97.302 3.729 -12.669 373 2HZ LYS 53 2HZ LYS 53 95.740 3.071 -12.726 374 3HZ LYS 53 3HZ LYS 53 96.027 4.498 -11.851 375 H GLN 54 H GLN 54 101.002 -0.047 -7.990 376 HA GLN 54 HA GLN 54 103.292 -1.209 -9.151 377 1HB GLN 54 1HB GLN 54 102.132 -1.167 -6.361 378 2HB GLN 54 2HB GLN 54 103.724 -1.851 -6.692 379 1HG GLN 54 1HG GLN 54 103.407 0.749 -7.958 380 2HG GLN 54 2HG GLN 54 103.149 0.846 -6.216 381 1HE2 GLN 54 2HE2 GLN 54 105.474 1.994 -7.446 382 2HE2 GLN 54 1HE2 GLN 54 106.835 1.121 -6.930 383 H ALA 55 H ALA 55 100.398 -2.697 -7.802 384 HA ALA 55 HA ALA 55 101.321 -5.396 -7.613 385 1HB ALA 55 1HB ALA 55 99.002 -3.916 -7.152 386 2HB ALA 55 2HB ALA 55 98.528 -5.050 -8.418 387 3HB ALA 55 3HB ALA 55 99.181 -5.651 -6.894 388 H LYS 56 H LYS 56 99.711 -3.636 -10.276 389 HA LYS 56 HA LYS 56 99.638 -5.881 -12.087 390 1HB LYS 56 1HB LYS 56 99.361 -2.897 -12.201 391 2HB LYS 56 2HB LYS 56 99.545 -3.774 -13.721 392 1HG LYS 56 1HG LYS 56 97.541 -4.920 -13.465 393 2HG LYS 56 2HG LYS 56 97.570 -4.785 -11.707 394 1HD LYS 56 1HD LYS 56 95.903 -3.248 -12.303 395 2HD LYS 56 2HD LYS 56 97.328 -2.222 -12.148 396 1HE LYS 56 1HE LYS 56 96.925 -3.426 -14.833 397 2HE LYS 56 2HE LYS 56 95.741 -2.193 -14.352 398 1HZ LYS 56 1HZ LYS 56 97.888 -1.013 -13.470 399 2HZ LYS 56 2HZ LYS 56 98.650 -1.955 -14.661 400 3HZ LYS 56 3HZ LYS 56 97.426 -0.859 -15.094 401 H LYS 57 H LYS 57 102.026 -3.356 -11.411 402 HA LYS 57 HA LYS 57 103.755 -3.752 -13.613 403 1HB LYS 57 1HB LYS 57 103.978 -2.751 -10.791 404 2HB LYS 57 2HB LYS 57 105.438 -2.899 -11.770 405 1HG LYS 57 1HG LYS 57 103.248 -1.644 -13.241 406 2HG LYS 57 2HG LYS 57 103.681 -0.741 -11.789 407 1HD LYS 57 1HD LYS 57 105.640 -0.061 -12.683 408 2HD LYS 57 2HD LYS 57 106.036 -1.691 -13.228 409 1HE LYS 57 1HE LYS 57 105.657 -0.933 -15.339 410 2HE LYS 57 2HE LYS 57 103.935 -0.885 -14.908 411 1HZ LYS 57 1HZ LYS 57 104.761 1.311 -13.704 412 2HZ LYS 57 2HZ LYS 57 105.893 1.279 -14.970 413 3HZ LYS 57 3HZ LYS 57 104.229 1.312 -15.314 414 H LEU 58 H LEU 58 103.478 -5.465 -10.518 415 HA LEU 58 HA LEU 58 105.799 -6.930 -10.328 416 1HB LEU 58 1HB LEU 58 103.029 -7.160 -9.565 417 2HB LEU 58 2HB LEU 58 103.654 -8.756 -9.976 418 HG LEU 58 HG LEU 58 105.701 -8.071 -8.513 419 1HD1 LEU 58 1HD1 LEU 58 104.988 -5.689 -8.311 420 2HD1 LEU 58 2HD1 LEU 58 103.562 -6.217 -7.420 421 3HD1 LEU 58 3HD1 LEU 58 105.170 -6.470 -6.741 422 1HD2 LEU 58 1HD2 LEU 58 103.225 -9.362 -7.986 423 2HD2 LEU 58 2HD2 LEU 58 104.758 -9.594 -7.146 424 3HD2 LEU 58 3HD2 LEU 58 103.607 -8.391 -6.565 425 H ASP 59 H ASP 59 106.828 -8.483 -11.562 426 HA ASP 59 HA ASP 59 106.215 -8.993 -14.260 427 1HB ASP 59 1HB ASP 59 108.291 -9.476 -12.713 428 2HB ASP 59 2HB ASP 59 107.523 -11.048 -12.491 429 H SER 60 H SER 60 105.768 -11.363 -11.600 430 HA SER 60 HA SER 60 104.336 -13.339 -12.861 431 1HB SER 60 1HB SER 60 103.277 -12.348 -10.255 432 2HB SER 60 2HB SER 60 103.773 -13.974 -10.715 433 HG SER 60 HG SER 60 105.189 -12.716 -9.236 434 H CYS 61 H CYS 61 102.886 -10.353 -11.501 435 HA CYS 61 HA CYS 61 100.213 -10.960 -12.427 436 1HB CYS 61 1HB CYS 61 101.550 -8.341 -11.664 437 2HB CYS 61 2HB CYS 61 99.810 -8.625 -11.730 438 H LYS 62 H LYS 62 102.710 -8.665 -13.608 439 HA LYS 62 HA LYS 62 101.405 -7.599 -15.835 440 1HB LYS 62 1HB LYS 62 103.620 -6.917 -15.091 441 2HB LYS 62 2HB LYS 62 104.278 -8.509 -15.469 442 1HG LYS 62 1HG LYS 62 104.203 -8.147 -17.765 443 2HG LYS 62 2HG LYS 62 102.910 -6.954 -17.638 444 1HD LYS 62 1HD LYS 62 104.379 -5.258 -16.913 445 2HD LYS 62 2HD LYS 62 105.633 -6.414 -16.464 446 1HE LYS 62 1HE LYS 62 105.391 -6.988 -19.115 447 2HE LYS 62 2HE LYS 62 105.015 -5.253 -19.123 448 1HZ LYS 62 1HZ LYS 62 107.208 -6.131 -17.411 449 2HZ LYS 62 2HZ LYS 62 107.500 -6.149 -19.081 450 3HZ LYS 62 3HZ LYS 62 107.044 -4.702 -18.316 451 H VAL 63 H VAL 63 102.612 -10.856 -15.378 452 HA VAL 63 HA VAL 63 102.283 -11.530 -18.249 453 HB VAL 63 HB VAL 63 103.188 -13.062 -15.789 454 1HG1 VAL 63 1HG1 VAL 63 102.332 -14.016 -18.354 455 2HG1 VAL 63 2HG1 VAL 63 104.075 -14.248 -18.225 456 3HG1 VAL 63 3HG1 VAL 63 103.001 -14.942 -17.011 457 1HG2 VAL 63 1HG2 VAL 63 104.582 -11.610 -18.034 458 2HG2 VAL 63 2HG2 VAL 63 104.861 -11.480 -16.297 459 3HG2 VAL 63 3HG2 VAL 63 105.392 -12.918 -17.171 460 H LEU 64 H LEU 64 100.729 -12.051 -15.120 461 HA LEU 64 HA LEU 64 98.861 -14.074 -16.099 462 1HB LEU 64 1HB LEU 64 99.409 -12.506 -13.616 463 2HB LEU 64 2HB LEU 64 97.805 -13.223 -13.785 464 HG LEU 64 HG LEU 64 100.214 -14.910 -14.372 465 1HD1 LEU 64 1HD1 LEU 64 100.424 -13.646 -12.107 466 2HD1 LEU 64 2HD1 LEU 64 99.099 -14.685 -11.581 467 3HD1 LEU 64 3HD1 LEU 64 100.624 -15.399 -12.106 468 1HD2 LEU 64 1HD2 LEU 64 97.786 -15.604 -14.746 469 2HD2 LEU 64 2HD2 LEU 64 98.738 -16.693 -13.736 470 3HD2 LEU 64 3HD2 LEU 64 97.599 -15.569 -12.993 471 H VAL 65 H VAL 65 99.050 -10.677 -16.369 472 HA VAL 65 HA VAL 65 97.483 -9.031 -16.986 473 HB VAL 65 HB VAL 65 97.047 -11.619 -18.299 474 1HG1 VAL 65 1HG1 VAL 65 95.046 -9.358 -18.556 475 2HG1 VAL 65 2HG1 VAL 65 95.202 -10.647 -19.749 476 3HG1 VAL 65 3HG1 VAL 65 94.714 -11.028 -18.098 477 1HG2 VAL 65 1HG2 VAL 65 98.135 -8.988 -18.887 478 2HG2 VAL 65 2HG2 VAL 65 98.474 -10.535 -19.664 479 3HG2 VAL 65 3HG2 VAL 65 97.098 -9.566 -20.192 480 H ASP 66 H ASP 66 97.021 -10.696 -14.568 481 HA ASP 66 HA ASP 66 94.329 -11.314 -14.065 482 1HB ASP 66 1HB ASP 66 96.779 -11.019 -12.664 483 2HB ASP 66 2HB ASP 66 95.570 -10.098 -11.770 484 H ASN 67 H ASN 67 92.730 -10.032 -12.800 485 HA ASN 67 HA ASN 67 92.743 -7.166 -13.638 486 1HB ASN 67 1HB ASN 67 90.784 -9.335 -13.267 487 2HB ASN 67 2HB ASN 67 90.248 -7.783 -12.626 488 1HD2 ASN 67 2HD2 ASN 67 90.357 -9.617 -15.461 489 2HD2 ASN 67 1HD2 ASN 67 90.152 -8.362 -16.585 490 HA PRO 68 HA PRO 68 93.442 -6.155 -9.385 491 1HB PRO 68 1HB PRO 68 93.112 -3.453 -9.619 492 2HB PRO 68 2HB PRO 68 94.565 -4.302 -10.179 493 1HG PRO 68 1HG PRO 68 92.285 -3.229 -11.735 494 2HG PRO 68 2HG PRO 68 93.993 -3.372 -12.177 495 1HD PRO 68 1HD PRO 68 91.961 -5.070 -13.018 496 2HD PRO 68 2HD PRO 68 93.698 -5.438 -13.065 497 H TYR 69 H TYR 69 90.515 -6.281 -10.869 498 HA TYR 69 HA TYR 69 89.094 -5.124 -8.490 499 1HB TYR 69 1HB TYR 69 88.776 -4.824 -11.408 500 2HB TYR 69 2HB TYR 69 87.268 -5.135 -10.546 501 HD1 TYR 69 HD1 TYR 69 90.357 -3.011 -10.315 502 HD2 TYR 69 HD2 TYR 69 86.153 -3.347 -9.497 503 HE1 TYR 69 HE1 TYR 69 90.326 -0.666 -9.510 504 HE2 TYR 69 HE2 TYR 69 86.123 -1.001 -8.691 505 HH TYR 69 HH TYR 69 87.617 0.667 -7.844 506 H THR 70 H THR 70 88.394 -7.363 -11.213 507 HA THR 70 HA THR 70 86.458 -8.913 -9.896 508 HB THR 70 HB THR 70 87.577 -10.685 -11.593 509 HG1 THR 70 HG1 THR 70 89.412 -9.370 -11.896 510 1HG2 THR 70 1HG2 THR 70 85.363 -9.402 -11.720 511 2HG2 THR 70 2HG2 THR 70 86.242 -8.190 -12.652 512 3HG2 THR 70 3HG2 THR 70 86.104 -9.841 -13.260 513 H ASN 71 H ASN 71 89.864 -8.763 -9.384 514 HA ASN 71 HA ASN 71 90.546 -11.344 -8.491 515 1HB ASN 71 1HB ASN 71 91.885 -9.124 -8.739 516 2HB ASN 71 2HB ASN 71 91.381 -8.810 -7.079 517 1HD2 ASN 71 2HD2 ASN 71 91.648 -11.098 -5.712 518 2HD2 ASN 71 1HD2 ASN 71 93.199 -11.771 -5.862 519 H ASN 72 H ASN 72 88.892 -12.387 -7.289 520 HA ASN 72 HA ASN 72 87.834 -11.041 -4.861 521 1HB ASN 72 1HB ASN 72 86.706 -12.583 -6.792 522 2HB ASN 72 2HB ASN 72 87.081 -13.819 -5.591 523 1HD2 ASN 72 2HD2 ASN 72 85.251 -10.803 -6.104 524 2HD2 ASN 72 1HD2 ASN 72 84.226 -11.003 -4.765 525 H TYR 73 H TYR 73 90.431 -11.426 -4.329 526 HA TYR 73 HA TYR 73 91.348 -13.965 -3.475 527 1HB TYR 73 1HB TYR 73 92.937 -12.648 -2.176 528 2HB TYR 73 2HB TYR 73 92.631 -11.812 -3.698 529 HD1 TYR 73 HD1 TYR 73 91.664 -11.918 -0.099 530 HD2 TYR 73 HD2 TYR 73 91.698 -9.628 -3.733 531 HE1 TYR 73 HE1 TYR 73 90.903 -9.919 1.153 532 HE2 TYR 73 HE2 TYR 73 90.936 -7.628 -2.480 533 HH TYR 73 HH TYR 73 91.128 -6.860 0.046 534 H SER 74 H SER 74 91.750 -14.372 -0.969 535 HA SER 74 HA SER 74 89.140 -13.939 0.453 536 1HB SER 74 1HB SER 74 90.962 -16.298 0.086 537 2HB SER 74 2HB SER 74 89.972 -16.201 1.539 538 HG SER 74 HG SER 74 88.628 -17.142 0.146 539 H TYR 75 H TYR 75 89.345 -13.878 2.845 540 HA TYR 75 HA TYR 75 92.002 -13.573 4.042 541 1HB TYR 75 1HB TYR 75 91.879 -11.209 4.408 542 2HB TYR 75 2HB TYR 75 91.455 -11.448 2.713 543 HD1 TYR 75 HD1 TYR 75 89.065 -11.353 1.988 544 HD2 TYR 75 HD2 TYR 75 90.250 -10.415 6.008 545 HE1 TYR 75 HE1 TYR 75 86.869 -10.269 2.382 546 HE2 TYR 75 HE2 TYR 75 88.054 -9.330 6.404 547 HH TYR 75 HH TYR 75 86.170 -8.207 4.369 548 H SER 76 H SER 76 91.649 -12.643 6.400 549 HA SER 76 HA SER 76 88.980 -13.377 7.496 550 1HB SER 76 1HB SER 76 91.002 -15.203 7.357 551 2HB SER 76 2HB SER 76 91.338 -14.472 8.924 552 HG SER 76 HG SER 76 89.886 -16.135 9.227 553 H CYS 77 H CYS 77 88.972 -12.832 9.945 554 HA CYS 77 HA CYS 77 90.774 -10.490 10.479 555 1HB CYS 77 1HB CYS 77 88.586 -9.697 9.886 556 2HB CYS 77 2HB CYS 77 87.811 -10.880 10.929 557 H SER 78 H SER 78 90.901 -10.004 12.827 558 HA SER 78 HA SER 78 90.065 -11.586 14.979 559 1HB SER 78 1HB SER 78 92.385 -12.959 15.031 560 2HB SER 78 2HB SER 78 90.944 -13.583 14.235 561 HG SER 78 HG SER 78 93.018 -12.065 13.019 562 H ASN 79 H ASN 79 91.063 -10.910 16.923 563 HA ASN 79 HA ASN 79 92.165 -9.252 18.227 564 1HB ASN 79 1HB ASN 79 94.331 -10.527 16.529 565 2HB ASN 79 2HB ASN 79 94.628 -9.630 18.019 566 1HD2 ASN 79 2HD2 ASN 79 95.536 -11.849 18.726 567 2HD2 ASN 79 1HD2 ASN 79 94.437 -12.969 19.374 568 H ASN 80 H ASN 80 90.977 -7.796 16.265 569 HA ASN 80 HA ASN 80 91.151 -5.912 14.888 570 1HB ASN 80 1HB ASN 80 93.468 -5.336 16.726 571 2HB ASN 80 2HB ASN 80 92.323 -4.205 16.042 572 1HD2 ASN 80 2HD2 ASN 80 89.988 -5.810 16.573 573 2HD2 ASN 80 1HD2 ASN 80 89.783 -5.788 18.240 574 H GLU 81 H GLU 81 92.517 -8.166 13.888 575 HA GLU 81 HA GLU 81 94.706 -6.839 12.401 576 1HB GLU 81 1HB GLU 81 94.651 -9.506 13.792 577 2HB GLU 81 2HB GLU 81 95.787 -9.188 12.480 578 1HG GLU 81 1HG GLU 81 95.942 -6.929 14.121 579 2HG GLU 81 2HG GLU 81 95.876 -8.292 15.231 580 H ILE 82 H ILE 82 94.971 -7.594 10.239 581 HA ILE 82 HA ILE 82 92.530 -8.918 9.136 582 HB ILE 82 HB ILE 82 94.711 -7.132 8.037 583 1HG1 ILE 82 1HG1 ILE 82 91.735 -6.752 7.804 584 2HG1 ILE 82 2HG1 ILE 82 92.550 -6.360 9.318 585 1HG2 ILE 82 1HG2 ILE 82 92.611 -8.734 6.559 586 2HG2 ILE 82 2HG2 ILE 82 93.379 -7.306 5.865 587 3HG2 ILE 82 3HG2 ILE 82 94.352 -8.717 6.280 588 1HD1 ILE 82 1HD1 ILE 82 93.315 -5.259 6.596 589 2HD1 ILE 82 2HD1 ILE 82 92.392 -4.386 7.821 590 3HD1 ILE 82 3HD1 ILE 82 94.067 -4.837 8.135 591 H THR 83 H THR 83 92.685 -10.944 8.250 592 HA THR 83 HA THR 83 95.422 -12.134 7.968 593 HB THR 83 HB THR 83 92.746 -13.066 8.937 594 HG1 THR 83 HG1 THR 83 94.844 -12.500 10.107 595 1HG2 THR 83 1HG2 THR 83 94.820 -14.883 7.679 596 2HG2 THR 83 2HG2 THR 83 93.480 -15.441 8.680 597 3HG2 THR 83 3HG2 THR 83 93.158 -14.651 7.136 598 H CYS 84 H CYS 84 95.918 -13.165 6.000 599 HA CYS 84 HA CYS 84 93.787 -13.107 3.889 600 1HB CYS 84 1HB CYS 84 96.135 -11.581 4.102 601 2HB CYS 84 2HB CYS 84 96.503 -12.819 2.901 602 H SER 85 H SER 85 93.669 -14.952 2.609 603 HA SER 85 HA SER 85 94.715 -17.429 3.489 604 1HB SER 85 1HB SER 85 94.213 -17.133 0.596 605 2HB SER 85 2HB SER 85 93.430 -18.191 1.766 606 HG SER 85 HG SER 85 92.804 -15.602 0.968 607 H SER 86 H SER 86 96.811 -18.131 3.446 608 HA SER 86 HA SER 86 98.990 -16.807 2.237 609 1HB SER 86 1HB SER 86 100.195 -18.766 2.866 610 2HB SER 86 2HB SER 86 98.859 -18.676 4.009 611 HG SER 86 HG SER 86 97.720 -20.084 2.494 612 H GLU 87 H GLU 87 96.594 -18.883 0.818 613 HA GLU 87 HA GLU 87 97.985 -19.906 -1.442 614 1HB GLU 87 1HB GLU 87 95.172 -19.215 -0.687 615 2HB GLU 87 2HB GLU 87 95.499 -19.591 -2.379 616 1HG GLU 87 1HG GLU 87 96.846 -21.619 -1.217 617 2HG GLU 87 2HG GLU 87 95.606 -21.359 0.011 618 H ASN 88 H ASN 88 96.859 -16.695 -0.690 619 HA ASN 88 HA ASN 88 96.489 -15.463 -3.148 620 1HB ASN 88 1HB ASN 88 97.926 -14.557 -0.640 621 2HB ASN 88 2HB ASN 88 97.480 -13.456 -1.945 622 1HD2 ASN 88 2HD2 ASN 88 95.984 -12.361 -0.403 623 2HD2 ASN 88 1HD2 ASN 88 94.485 -13.067 -0.036 624 H ASN 89 H ASN 89 97.809 -16.033 -4.898 625 HA ASN 89 HA ASN 89 100.621 -16.531 -4.773 626 1HB ASN 89 1HB ASN 89 100.396 -16.067 -7.280 627 2HB ASN 89 2HB ASN 89 99.301 -17.288 -6.629 628 1HD2 ASN 89 2HD2 ASN 89 98.010 -16.584 -8.669 629 2HD2 ASN 89 1HD2 ASN 89 96.948 -15.272 -8.491 630 H ALA 90 H ALA 90 102.050 -14.976 -6.349 631 HA ALA 90 HA ALA 90 102.809 -12.707 -4.968 632 1HB ALA 90 1HB ALA 90 103.547 -13.980 -7.243 633 2HB ALA 90 2HB ALA 90 102.844 -12.517 -7.932 634 3HB ALA 90 3HB ALA 90 104.178 -12.399 -6.784 635 H CYS 91 H CYS 91 100.340 -12.860 -7.551 636 HA CYS 91 HA CYS 91 99.771 -10.017 -7.507 637 1HB CYS 91 1HB CYS 91 98.216 -12.429 -8.497 638 2HB CYS 91 2HB CYS 91 97.847 -10.754 -8.909 639 H GLU 92 H GLU 92 97.944 -12.854 -6.280 640 HA GLU 92 HA GLU 92 95.858 -11.378 -5.018 641 1HB GLU 92 1HB GLU 92 97.129 -14.089 -4.590 642 2HB GLU 92 2HB GLU 92 95.723 -13.565 -3.662 643 1HG GLU 92 1HG GLU 92 94.474 -13.189 -5.755 644 2HG GLU 92 2HG GLU 92 95.878 -13.711 -6.687 645 H ALA 93 H ALA 93 99.030 -12.453 -3.817 646 HA ALA 93 HA ALA 93 98.620 -11.628 -1.084 647 1HB ALA 93 1HB ALA 93 100.918 -12.343 -2.881 648 2HB ALA 93 2HB ALA 93 101.259 -11.654 -1.294 649 3HB ALA 93 3HB ALA 93 100.350 -13.160 -1.424 650 H PHE 94 H PHE 94 99.985 -10.007 -3.949 651 HA PHE 94 HA PHE 94 100.867 -7.639 -2.540 652 1HB PHE 94 1HB PHE 94 101.538 -8.572 -4.841 653 2HB PHE 94 2HB PHE 94 100.038 -7.865 -5.442 654 HD1 PHE 94 HD1 PHE 94 99.620 -5.348 -4.800 655 HD2 PHE 94 HD2 PHE 94 103.471 -7.253 -4.762 656 HE1 PHE 94 HE1 PHE 94 100.721 -3.130 -4.937 657 HE2 PHE 94 HE2 PHE 94 104.569 -5.034 -4.900 658 HZ PHE 94 HZ PHE 94 103.194 -2.973 -4.987 659 H ILE 95 H ILE 95 97.923 -8.438 -4.404 660 HA ILE 95 HA ILE 95 96.659 -5.879 -4.172 661 HB ILE 95 HB ILE 95 95.676 -8.721 -4.533 662 1HG1 ILE 95 1HG1 ILE 95 95.795 -6.420 -6.499 663 2HG1 ILE 95 2HG1 ILE 95 97.119 -7.565 -6.290 664 1HG2 ILE 95 1HG2 ILE 95 94.179 -6.137 -4.318 665 2HG2 ILE 95 2HG2 ILE 95 93.628 -7.330 -5.493 666 3HG2 ILE 95 3HG2 ILE 95 93.709 -7.750 -3.782 667 1HD1 ILE 95 1HD1 ILE 95 94.854 -9.180 -6.530 668 2HD1 ILE 95 2HD1 ILE 95 94.604 -7.902 -7.719 669 3HD1 ILE 95 3HD1 ILE 95 96.063 -8.890 -7.780 670 H CYS 96 H CYS 96 96.649 -8.752 -2.079 671 HA CYS 96 HA CYS 96 94.608 -7.848 -0.261 672 1HB CYS 96 1HB CYS 96 95.231 -10.160 -0.356 673 2HB CYS 96 2HB CYS 96 96.935 -9.778 -0.105 674 H ASN 97 H ASN 97 98.155 -7.499 -0.306 675 HA ASN 97 HA ASN 97 98.483 -6.304 2.258 676 1HB ASN 97 1HB ASN 97 99.946 -6.015 -0.385 677 2HB ASN 97 2HB ASN 97 100.561 -5.364 1.133 678 1HD2 ASN 97 2HD2 ASN 97 102.222 -7.182 0.079 679 2HD2 ASN 97 1HD2 ASN 97 102.090 -8.686 0.845 680 H CYS 98 H CYS 98 97.618 -4.914 -0.897 681 HA CYS 98 HA CYS 98 97.756 -2.148 -0.142 682 1HB CYS 98 1HB CYS 98 95.899 -3.482 -2.138 683 2HB CYS 98 2HB CYS 98 96.514 -1.831 -2.196 684 H ASP 99 H ASP 99 95.022 -4.458 -0.232 685 HA ASP 99 HA ASP 99 93.036 -2.676 0.815 686 1HB ASP 99 1HB ASP 99 93.470 -5.633 0.558 687 2HB ASP 99 2HB ASP 99 92.129 -5.070 1.557 688 H ARG 100 H ARG 100 95.326 -4.908 2.377 689 HA ARG 100 HA ARG 100 94.348 -4.454 5.075 690 1HB ARG 100 1HB ARG 100 95.710 -6.406 4.031 691 2HB ARG 100 2HB ARG 100 97.113 -5.363 4.263 692 1HG ARG 100 1HG ARG 100 96.050 -5.122 6.707 693 2HG ARG 100 2HG ARG 100 95.395 -6.708 6.299 694 1HD ARG 100 1HD ARG 100 98.138 -6.669 5.492 695 2HD ARG 100 2HD ARG 100 98.043 -6.104 7.169 696 HE ARG 100 HE ARG 100 96.298 -8.269 6.978 697 1HH1 ARG 100 1HH1 ARG 100 98.219 -9.496 5.125 698 2HH1 ARG 100 2HH1 ARG 100 99.353 -10.264 6.186 699 1HH2 ARG 100 1HH2 ARG 100 98.369 -8.456 8.976 700 2HH2 ARG 100 2HH2 ARG 100 99.440 -9.671 8.365 701 H ASN 101 H ASN 101 97.330 -3.410 3.368 702 HA ASN 101 HA ASN 101 98.325 -1.654 5.352 703 1HB ASN 101 1HB ASN 101 98.478 -1.822 2.343 704 2HB ASN 101 2HB ASN 101 99.291 -0.517 3.202 705 1HD2 ASN 101 2HD2 ASN 101 101.138 -1.932 2.045 706 2HD2 ASN 101 1HD2 ASN 101 101.844 -3.103 3.043 707 H ALA 102 H ALA 102 95.756 -1.236 2.987 708 HA ALA 102 HA ALA 102 95.521 1.645 3.233 709 1HB ALA 102 1HB ALA 102 94.717 0.252 1.327 710 2HB ALA 102 2HB ALA 102 93.522 -0.483 2.394 711 3HB ALA 102 3HB ALA 102 93.423 1.236 2.011 712 H ALA 103 H ALA 103 93.546 -1.056 4.532 713 HA ALA 103 HA ALA 103 91.881 0.564 6.207 714 1HB ALA 103 1HB ALA 103 92.727 -2.332 6.112 715 2HB ALA 103 2HB ALA 103 91.641 -1.752 7.374 716 3HB ALA 103 3HB ALA 103 91.167 -1.631 5.680 717 H ILE 104 H ILE 104 94.964 -1.116 6.806 718 HA ILE 104 HA ILE 104 95.153 -0.689 9.612 719 HB ILE 104 HB ILE 104 97.115 -0.986 7.334 720 1HG1 ILE 104 1HG1 ILE 104 96.172 -2.752 9.614 721 2HG1 ILE 104 2HG1 ILE 104 95.860 -2.979 7.892 722 1HG2 ILE 104 1HG2 ILE 104 97.696 -0.682 10.292 723 2HG2 ILE 104 2HG2 ILE 104 98.846 -1.361 9.139 724 3HG2 ILE 104 3HG2 ILE 104 98.316 0.313 8.974 725 1HD1 ILE 104 1HD1 ILE 104 98.604 -3.029 9.180 726 2HD1 ILE 104 2HD1 ILE 104 97.684 -4.456 8.703 727 3HD1 ILE 104 3HD1 ILE 104 98.250 -3.323 7.478 728 H CYS 105 H CYS 105 95.934 1.410 6.864 729 HA CYS 105 HA CYS 105 97.317 3.460 8.319 730 1HB CYS 105 1HB CYS 105 97.073 2.959 5.781 731 2HB CYS 105 2HB CYS 105 95.576 3.886 5.889 732 H PHE 106 H PHE 106 93.865 3.032 7.491 733 HA PHE 106 HA PHE 106 92.845 5.477 8.415 734 1HB PHE 106 1HB PHE 106 91.678 2.684 8.648 735 2HB PHE 106 2HB PHE 106 90.755 4.184 8.672 736 HD1 PHE 106 HD1 PHE 106 93.067 5.220 6.518 737 HD2 PHE 106 HD2 PHE 106 90.070 2.147 6.699 738 HE1 PHE 106 HE1 PHE 106 92.952 5.185 4.040 739 HE2 PHE 106 HE2 PHE 106 89.956 2.112 4.222 740 HZ PHE 106 HZ PHE 106 91.396 3.631 2.893 741 H SER 107 H SER 107 93.576 2.496 10.191 742 HA SER 107 HA SER 107 92.703 3.578 12.769 743 1HB SER 107 1HB SER 107 93.251 1.409 13.540 744 2HB SER 107 2HB SER 107 92.786 1.134 11.863 745 HG SER 107 HG SER 107 95.200 1.575 11.540 746 H LYS 108 H LYS 108 95.563 3.730 10.857 747 HA LYS 108 HA LYS 108 97.298 4.334 13.199 748 1HB LYS 108 1HB LYS 108 97.841 4.049 10.224 749 2HB LYS 108 2HB LYS 108 99.075 4.226 11.471 750 1HG LYS 108 1HG LYS 108 97.084 2.059 11.891 751 2HG LYS 108 2HG LYS 108 98.240 1.817 10.581 752 1HD LYS 108 1HD LYS 108 99.856 1.311 12.059 753 2HD LYS 108 2HD LYS 108 99.631 2.862 12.868 754 1HE LYS 108 1HE LYS 108 98.208 1.975 14.473 755 2HE LYS 108 2HE LYS 108 97.634 0.685 13.396 756 1HZ LYS 108 1HZ LYS 108 100.380 0.900 14.516 757 2HZ LYS 108 2HZ LYS 108 99.186 -0.178 15.057 758 3HZ LYS 108 3HZ LYS 108 99.819 -0.332 13.491 759 H VAL 109 H VAL 109 95.125 6.032 11.458 760 HA VAL 109 HA VAL 109 96.679 8.566 11.745 761 HB VAL 109 HB VAL 109 95.890 9.230 9.491 762 1HG1 VAL 109 1HG1 VAL 109 97.310 6.551 9.608 763 2HG1 VAL 109 2HG1 VAL 109 97.255 7.593 8.186 764 3HG1 VAL 109 3HG1 VAL 109 98.070 8.143 9.650 765 1HG2 VAL 109 1HG2 VAL 109 94.283 6.807 9.866 766 2HG2 VAL 109 2HG2 VAL 109 94.022 8.165 8.773 767 3HG2 VAL 109 3HG2 VAL 109 95.097 6.849 8.302 768 HA PRO 110 HA PRO 110 92.894 10.080 13.378 769 1HB PRO 110 1HB PRO 110 93.004 12.712 12.632 770 2HB PRO 110 2HB PRO 110 94.029 12.027 13.909 771 1HG PRO 110 1HG PRO 110 94.696 12.646 11.077 772 2HG PRO 110 2HG PRO 110 95.680 12.835 12.536 773 1HD PRO 110 1HD PRO 110 95.975 10.772 10.771 774 2HD PRO 110 2HD PRO 110 96.393 10.664 12.495 775 H TYR 111 H TYR 111 90.815 11.247 12.670 776 HA TYR 111 HA TYR 111 90.366 11.115 9.720 777 1HB TYR 111 1HB TYR 111 89.671 8.971 10.440 778 2HB TYR 111 2HB TYR 111 88.996 9.600 11.942 779 HD1 TYR 111 HD1 TYR 111 88.603 10.461 8.304 780 HD2 TYR 111 HD2 TYR 111 86.680 9.437 12.005 781 HE1 TYR 111 HE1 TYR 111 86.386 10.693 7.216 782 HE2 TYR 111 HE2 TYR 111 84.463 9.669 10.918 783 HH TYR 111 HH TYR 111 84.093 9.903 7.532 784 H ASN 112 H ASN 112 90.157 13.440 9.741 785 HA ASN 112 HA ASN 112 88.321 14.793 11.559 786 1HB ASN 112 1HB ASN 112 90.020 15.439 9.175 787 2HB ASN 112 2HB ASN 112 88.774 16.594 9.648 788 1HD2 ASN 112 2HD2 ASN 112 91.994 15.854 10.175 789 2HD2 ASN 112 1HD2 ASN 112 92.186 16.560 11.706 790 H LYS 113 H LYS 113 86.169 14.202 11.333 791 HA LYS 113 HA LYS 113 84.904 13.348 8.921 792 1HB LYS 113 1HB LYS 113 82.834 13.816 10.271 793 2HB LYS 113 2HB LYS 113 84.045 12.883 11.151 794 1HG LYS 113 1HG LYS 113 84.820 15.429 11.759 795 2HG LYS 113 2HG LYS 113 83.073 15.633 11.631 796 1HD LYS 113 1HD LYS 113 82.634 14.166 13.382 797 2HD LYS 113 2HD LYS 113 84.155 13.298 13.172 798 1HE LYS 113 1HE LYS 113 85.113 14.599 14.758 799 2HE LYS 113 2HE LYS 113 84.747 16.045 13.796 800 1HZ LYS 113 1HZ LYS 113 82.356 15.641 14.635 801 2HZ LYS 113 2HZ LYS 113 83.099 14.731 15.858 802 3HZ LYS 113 3HZ LYS 113 83.475 16.378 15.681 803 H GLU 114 H GLU 114 85.716 16.541 10.043 804 HA GLU 114 HA GLU 114 83.701 18.043 8.699 805 1HB GLU 114 1HB GLU 114 85.867 18.483 10.376 806 2HB GLU 114 2HB GLU 114 86.349 19.277 8.876 807 1HG GLU 114 1HG GLU 114 83.852 20.188 8.964 808 2HG GLU 114 2HG GLU 114 84.052 19.889 10.691 809 H HIS 115 H HIS 115 86.561 16.420 7.567 810 HA HIS 115 HA HIS 115 86.661 17.930 5.031 811 1HB HIS 115 1HB HIS 115 88.213 15.770 6.424 812 2HB HIS 115 2HB HIS 115 88.444 16.007 4.692 813 HD1 HIS 115 HD1 HIS 115 89.201 18.472 3.942 814 HD2 HIS 115 HD2 HIS 115 89.473 17.682 8.026 815 HE1 HIS 115 HE1 HIS 115 90.673 20.283 4.926 816 H LYS 116 H LYS 116 84.617 15.615 6.170 817 HA LYS 116 HA LYS 116 84.587 13.580 4.176 818 1HB LYS 116 1HB LYS 116 83.397 14.027 6.513 819 2HB LYS 116 2HB LYS 116 82.110 14.637 5.477 820 1HG LYS 116 1HG LYS 116 82.553 12.386 4.157 821 2HG LYS 116 2HG LYS 116 83.204 11.863 5.711 822 1HD LYS 116 1HD LYS 116 80.661 13.279 5.991 823 2HD LYS 116 2HD LYS 116 80.521 11.833 4.989 824 1HE LYS 116 1HE LYS 116 81.399 10.428 6.734 825 2HE LYS 116 2HE LYS 116 81.884 11.835 7.702 826 1HZ LYS 116 1HZ LYS 116 79.096 11.217 6.878 827 2HZ LYS 116 2HZ LYS 116 79.737 10.918 8.422 828 3HZ LYS 116 3HZ LYS 116 79.588 12.513 7.854 829 H ASN 117 H ASN 117 83.533 13.504 2.159 830 HA ASN 117 HA ASN 117 82.593 14.379 0.170 831 1HB ASN 117 1HB ASN 117 81.077 16.154 2.096 832 2HB ASN 117 2HB ASN 117 80.516 15.503 0.557 833 1HD2 ASN 117 2HD2 ASN 117 79.127 15.074 3.080 834 2HD2 ASN 117 1HD2 ASN 117 79.182 13.411 3.413 835 H LEU 118 H LEU 118 85.017 15.471 0.426 836 HA LEU 118 HA LEU 118 85.123 18.285 0.841 837 1HB LEU 118 1HB LEU 118 87.122 17.165 1.146 838 2HB LEU 118 2HB LEU 118 86.769 16.024 -0.129 839 HG LEU 118 HG LEU 118 87.096 17.958 -1.747 840 1HD1 LEU 118 1HD1 LEU 118 87.399 19.361 0.674 841 2HD1 LEU 118 2HD1 LEU 118 89.025 19.239 0.003 842 3HD1 LEU 118 3HD1 LEU 118 87.733 19.977 -0.944 843 1HD2 LEU 118 1HD2 LEU 118 89.205 16.535 -0.176 844 2HD2 LEU 118 2HD2 LEU 118 88.751 16.339 -1.869 845 3HD2 LEU 118 3HD2 LEU 118 89.699 17.739 -1.367 846 H ASP 119 H ASP 119 85.871 19.711 -0.997 847 HA ASP 119 HA ASP 119 84.072 19.363 -3.337 848 1HB ASP 119 1HB ASP 119 84.200 21.431 -1.829 849 2HB ASP 119 2HB ASP 119 85.770 21.748 -2.570 850 H LYS 120 H LYS 120 84.970 18.526 -5.183 851 HA LYS 120 HA LYS 120 87.701 17.970 -5.582 852 1HB LYS 120 1HB LYS 120 85.433 18.462 -7.532 853 2HB LYS 120 2HB LYS 120 86.962 17.692 -7.961 854 1HG LYS 120 1HG LYS 120 86.501 16.011 -6.108 855 2HG LYS 120 2HG LYS 120 84.874 16.689 -6.014 856 1HD LYS 120 1HD LYS 120 86.164 15.396 -8.433 857 2HD LYS 120 2HD LYS 120 84.814 14.763 -7.491 858 1HE LYS 120 1HE LYS 120 83.434 15.853 -8.924 859 2HE LYS 120 2HE LYS 120 84.040 17.373 -8.236 860 1HZ LYS 120 1HZ LYS 120 85.480 15.849 -10.336 861 2HZ LYS 120 2HZ LYS 120 84.406 17.114 -10.689 862 3HZ LYS 120 3HZ LYS 120 85.811 17.423 -9.786 863 H LYS 121 H LYS 121 86.035 20.974 -5.783 864 HA LYS 121 HA LYS 121 87.523 22.359 -7.777 865 1HB LYS 121 1HB LYS 121 85.766 22.909 -5.487 866 2HB LYS 121 2HB LYS 121 86.912 24.208 -5.817 867 1HG LYS 121 1HG LYS 121 84.938 24.636 -7.129 868 2HG LYS 121 2HG LYS 121 86.207 24.101 -8.233 869 1HD LYS 121 1HD LYS 121 85.286 21.771 -8.060 870 2HD LYS 121 2HD LYS 121 83.943 22.423 -7.121 871 1HE LYS 121 1HE LYS 121 82.989 22.554 -9.229 872 2HE LYS 121 2HE LYS 121 83.853 24.105 -9.243 873 1HZ LYS 121 1HZ LYS 121 85.796 22.938 -10.148 874 2HZ LYS 121 2HZ LYS 121 84.893 21.502 -10.231 875 3HZ LYS 121 3HZ LYS 121 84.457 22.832 -11.189 876 H ASN 122 H ASN 122 88.472 21.147 -4.759 877 HA ASN 122 HA ASN 122 90.761 23.027 -4.454 878 1HB ASN 122 1HB ASN 122 89.298 20.966 -2.856 879 2HB ASN 122 2HB ASN 122 90.993 21.239 -2.471 880 1HD2 ASN 122 2HD2 ASN 122 88.003 22.199 -1.497 881 2HD2 ASN 122 1HD2 ASN 122 88.341 23.785 -0.997 882 H CYS 123 H CYS 123 89.877 20.140 -5.902 883 HA CYS 123 HA CYS 123 92.617 18.975 -5.867 884 1HB CYS 123 1HB CYS 123 89.793 18.077 -6.131 885 2HB CYS 123 2HB CYS 123 90.994 17.151 -7.011 Start of MODEL 11 1 1H ALA 1 1H ALA 1 83.897 -8.884 -4.939 2 2H ALA 1 2H ALA 1 84.881 -9.983 -5.783 3 3H ALA 1 3H ALA 1 84.849 -10.005 -4.087 4 HA ALA 1 HA ALA 1 86.737 -8.791 -4.290 5 1HB ALA 1 1HB ALA 1 86.301 -9.238 -6.841 6 2HB ALA 1 2HB ALA 1 85.752 -7.561 -6.855 7 3HB ALA 1 3HB ALA 1 87.405 -7.944 -6.376 8 H LEU 2 H LEU 2 87.290 -6.397 -4.135 9 HA LEU 2 HA LEU 2 86.772 -4.189 -3.453 10 1HB LEU 2 1HB LEU 2 84.901 -4.948 -5.384 11 2HB LEU 2 2HB LEU 2 83.917 -4.335 -4.055 12 HG LEU 2 HG LEU 2 86.220 -2.885 -5.393 13 1HD1 LEU 2 1HD1 LEU 2 83.267 -2.865 -5.684 14 2HD1 LEU 2 2HD1 LEU 2 84.043 -1.281 -5.623 15 3HD1 LEU 2 3HD1 LEU 2 84.517 -2.449 -6.857 16 1HD2 LEU 2 1HD2 LEU 2 85.211 -2.645 -2.760 17 2HD2 LEU 2 2HD2 LEU 2 86.296 -1.530 -3.592 18 3HD2 LEU 2 3HD2 LEU 2 84.552 -1.281 -3.662 19 H TRP 3 H TRP 3 83.679 -5.897 -2.859 20 HA TRP 3 HA TRP 3 83.034 -4.813 -0.393 21 1HB TRP 3 1HB TRP 3 81.572 -6.650 -0.204 22 2HB TRP 3 2HB TRP 3 81.893 -6.589 -1.935 23 HD1 TRP 3 HD1 TRP 3 84.315 -8.120 -2.526 24 HE1 TRP 3 HE1 TRP 3 84.712 -10.571 -1.827 25 HE3 TRP 3 HE3 TRP 3 80.984 -8.494 1.329 26 HZ2 TRP 3 HZ2 TRP 3 83.746 -12.440 0.106 27 HZ3 TRP 3 HZ3 TRP 3 80.744 -10.620 2.581 28 HH2 TRP 3 HH2 TRP 3 82.121 -12.591 1.972 29 H GLN 4 H GLN 4 85.560 -7.145 -1.086 30 HA GLN 4 HA GLN 4 86.024 -8.177 1.530 31 1HB GLN 4 1HB GLN 4 87.531 -7.790 -1.022 32 2HB GLN 4 2HB GLN 4 88.463 -8.216 0.414 33 1HG GLN 4 1HG GLN 4 86.749 -10.095 0.773 34 2HG GLN 4 2HG GLN 4 86.219 -9.771 -0.877 35 1HE2 GLN 4 2HE2 GLN 4 88.016 -9.869 -2.589 36 2HE2 GLN 4 1HE2 GLN 4 89.271 -10.988 -2.351 37 H PHE 5 H PHE 5 87.213 -5.238 -0.087 38 HA PHE 5 HA PHE 5 89.072 -4.397 1.902 39 1HB PHE 5 1HB PHE 5 88.651 -3.548 -0.477 40 2HB PHE 5 2HB PHE 5 87.304 -2.629 0.192 41 HD1 PHE 5 HD1 PHE 5 90.613 -3.367 1.760 42 HD2 PHE 5 HD2 PHE 5 88.033 -0.385 0.056 43 HE1 PHE 5 HE1 PHE 5 92.180 -1.591 2.495 44 HE2 PHE 5 HE2 PHE 5 89.601 1.390 0.791 45 HZ PHE 5 HZ PHE 5 91.673 0.787 2.010 46 H ASN 6 H ASN 6 85.697 -3.255 1.414 47 HA ASN 6 HA ASN 6 85.406 -1.666 3.689 48 1HB ASN 6 1HB ASN 6 83.672 -3.358 1.967 49 2HB ASN 6 2HB ASN 6 82.974 -2.866 3.512 50 1HD2 ASN 6 2HD2 ASN 6 81.537 -1.614 1.804 51 2HD2 ASN 6 1HD2 ASN 6 82.065 -0.051 1.404 52 H GLY 7 H GLY 7 85.504 -5.181 3.474 53 1HA GLY 7 1HA GLY 7 84.529 -5.678 6.156 54 2HA GLY 7 2HA GLY 7 85.392 -6.838 5.143 55 H MET 8 H MET 8 87.786 -5.494 4.697 56 HA MET 8 HA MET 8 89.323 -6.088 6.999 57 1HB MET 8 1HB MET 8 89.743 -4.258 4.620 58 2HB MET 8 2HB MET 8 91.022 -4.616 5.781 59 1HG MET 8 1HG MET 8 90.310 -7.123 5.297 60 2HG MET 8 2HG MET 8 89.706 -6.428 3.792 61 1HE MET 8 1HE MET 8 91.010 -8.177 2.993 62 2HE MET 8 2HE MET 8 92.458 -7.736 2.090 63 3HE MET 8 3HE MET 8 92.599 -8.584 3.637 64 H ILE 9 H ILE 9 87.866 -3.015 5.942 65 HA ILE 9 HA ILE 9 89.053 -1.362 7.977 66 HB ILE 9 HB ILE 9 86.437 -1.114 6.452 67 1HG1 ILE 9 1HG1 ILE 9 89.239 -0.143 5.798 68 2HG1 ILE 9 2HG1 ILE 9 88.375 -1.435 4.963 69 1HG2 ILE 9 1HG2 ILE 9 86.915 0.401 8.502 70 2HG2 ILE 9 2HG2 ILE 9 88.160 1.134 7.490 71 3HG2 ILE 9 3HG2 ILE 9 86.470 1.186 6.987 72 1HD1 ILE 9 1HD1 ILE 9 87.018 1.216 5.197 73 2HD1 ILE 9 2HD1 ILE 9 88.345 1.072 4.045 74 3HD1 ILE 9 3HD1 ILE 9 86.934 0.024 3.901 75 H LYS 10 H LYS 10 86.076 -3.292 7.836 76 HA LYS 10 HA LYS 10 84.865 -2.342 10.249 77 1HB LYS 10 1HB LYS 10 84.764 -4.869 8.600 78 2HB LYS 10 2HB LYS 10 83.813 -4.722 10.079 79 1HG LYS 10 1HG LYS 10 83.229 -2.347 8.886 80 2HG LYS 10 2HG LYS 10 83.464 -3.368 7.467 81 1HD LYS 10 1HD LYS 10 81.884 -5.035 8.456 82 2HD LYS 10 2HD LYS 10 81.581 -3.910 9.781 83 1HE LYS 10 1HE LYS 10 80.972 -2.191 7.942 84 2HE LYS 10 2HE LYS 10 80.867 -3.595 6.860 85 1HZ LYS 10 1HZ LYS 10 79.429 -4.664 8.546 86 2HZ LYS 10 2HZ LYS 10 79.419 -3.211 9.428 87 3HZ LYS 10 3HZ LYS 10 78.734 -3.269 7.873 88 H CYS 11 H CYS 11 87.246 -4.916 9.632 89 HA CYS 11 HA CYS 11 87.251 -5.993 12.281 90 1HB CYS 11 1HB CYS 11 88.071 -7.050 10.140 91 2HB CYS 11 2HB CYS 11 89.459 -5.965 10.208 92 H LYS 12 H LYS 12 89.523 -3.779 10.622 93 HA LYS 12 HA LYS 12 91.069 -3.227 13.009 94 1HB LYS 12 1HB LYS 12 90.806 -2.195 10.209 95 2HB LYS 12 2HB LYS 12 91.689 -1.207 11.376 96 1HG LYS 12 1HG LYS 12 92.513 -3.933 11.694 97 2HG LYS 12 2HG LYS 12 92.617 -3.514 9.984 98 1HD LYS 12 1HD LYS 12 94.711 -2.854 10.873 99 2HD LYS 12 2HD LYS 12 93.788 -1.355 10.773 100 1HE LYS 12 1HE LYS 12 94.758 -1.342 12.962 101 2HE LYS 12 2HE LYS 12 93.077 -1.854 13.218 102 1HZ LYS 12 1HZ LYS 12 95.330 -3.731 12.749 103 2HZ LYS 12 2HZ LYS 12 94.740 -3.334 14.293 104 3HZ LYS 12 3HZ LYS 12 93.738 -4.133 13.176 105 H ILE 13 H ILE 13 88.163 -1.875 11.597 106 HA ILE 13 HA ILE 13 87.943 -0.022 13.929 107 HB ILE 13 HB ILE 13 87.364 0.728 11.046 108 1HG1 ILE 13 1HG1 ILE 13 89.794 1.321 12.766 109 2HG1 ILE 13 2HG1 ILE 13 89.766 0.332 11.305 110 1HG2 ILE 13 1HG2 ILE 13 86.984 1.987 13.671 111 2HG2 ILE 13 2HG2 ILE 13 87.850 3.013 12.525 112 3HG2 ILE 13 3HG2 ILE 13 86.253 2.387 12.116 113 1HD1 ILE 13 1HD1 ILE 13 88.600 2.992 10.908 114 2HD1 ILE 13 2HD1 ILE 13 90.298 3.046 11.384 115 3HD1 ILE 13 3HD1 ILE 13 89.813 2.144 9.950 116 HA PRO 14 HA PRO 14 84.085 -2.404 13.042 117 1HB PRO 14 1HB PRO 14 83.706 -3.273 15.607 118 2HB PRO 14 2HB PRO 14 84.714 -4.141 14.432 119 1HG PRO 14 1HG PRO 14 85.519 -2.376 16.677 120 2HG PRO 14 2HG PRO 14 86.306 -3.827 16.042 121 1HD PRO 14 1HD PRO 14 87.119 -1.247 15.517 122 2HD PRO 14 2HD PRO 14 87.493 -2.650 14.495 123 H SER 15 H SER 15 84.997 -0.128 15.577 124 HA SER 15 HA SER 15 82.356 0.572 16.471 125 1HB SER 15 1HB SER 15 83.573 2.553 17.365 126 2HB SER 15 2HB SER 15 84.439 1.052 17.685 127 HG SER 15 HG SER 15 84.957 3.048 15.755 128 H SER 16 H SER 16 84.093 1.295 13.569 129 HA SER 16 HA SER 16 82.028 3.355 12.860 130 1HB SER 16 1HB SER 16 84.641 3.858 13.308 131 2HB SER 16 2HB SER 16 84.733 3.402 11.610 132 HG SER 16 HG SER 16 84.323 5.613 11.803 133 H GLU 17 H GLU 17 81.043 3.039 10.864 134 HA GLU 17 HA GLU 17 81.629 0.515 9.444 135 1HB GLU 17 1HB GLU 17 79.546 2.692 9.061 136 2HB GLU 17 2HB GLU 17 79.533 1.120 8.262 137 1HG GLU 17 1HG GLU 17 79.784 1.075 11.220 138 2HG GLU 17 2HG GLU 17 78.226 1.599 10.582 139 HA PRO 18 HA PRO 18 84.013 2.538 6.325 140 1HB PRO 18 1HB PRO 18 83.915 0.569 4.431 141 2HB PRO 18 2HB PRO 18 84.918 0.454 5.890 142 1HG PRO 18 1HG PRO 18 82.295 -0.806 5.294 143 2HG PRO 18 2HG PRO 18 83.679 -1.446 6.193 144 1HD PRO 18 1HD PRO 18 81.409 -0.439 7.364 145 2HD PRO 18 2HD PRO 18 82.999 -0.503 8.154 146 H LEU 19 H LEU 19 80.720 2.104 6.241 147 HA LEU 19 HA LEU 19 80.435 3.091 3.429 148 1HB LEU 19 1HB LEU 19 78.623 1.703 5.414 149 2HB LEU 19 2HB LEU 19 78.003 2.414 3.923 150 HG LEU 19 HG LEU 19 80.304 0.455 3.928 151 1HD1 LEU 19 1HD1 LEU 19 78.225 -0.525 4.977 152 2HD1 LEU 19 2HD1 LEU 19 77.380 -0.196 3.465 153 3HD1 LEU 19 3HD1 LEU 19 78.733 -1.326 3.491 154 1HD2 LEU 19 1HD2 LEU 19 78.656 1.892 1.931 155 2HD2 LEU 19 2HD2 LEU 19 80.303 1.274 1.795 156 3HD2 LEU 19 3HD2 LEU 19 78.931 0.186 1.580 157 H LEU 20 H LEU 20 80.294 4.102 6.709 158 HA LEU 20 HA LEU 20 78.745 6.546 5.906 159 1HB LEU 20 1HB LEU 20 78.970 5.234 8.634 160 2HB LEU 20 2HB LEU 20 77.894 6.559 8.188 161 HG LEU 20 HG LEU 20 77.707 4.092 6.538 162 1HD1 LEU 20 1HD1 LEU 20 77.667 3.897 9.356 163 2HD1 LEU 20 2HD1 LEU 20 75.981 3.852 8.843 164 3HD1 LEU 20 3HD1 LEU 20 77.131 2.682 8.197 165 1HD2 LEU 20 1HD2 LEU 20 76.190 6.460 7.130 166 2HD2 LEU 20 2HD2 LEU 20 75.862 5.225 5.915 167 3HD2 LEU 20 3HD2 LEU 20 75.223 5.046 7.550 168 H ASP 21 H ASP 21 81.799 5.462 6.631 169 HA ASP 21 HA ASP 21 82.566 8.112 7.815 170 1HB ASP 21 1HB ASP 21 83.147 5.298 8.559 171 2HB ASP 21 2HB ASP 21 84.511 6.413 8.657 172 H PHE 22 H PHE 22 84.095 5.271 6.234 173 HA PHE 22 HA PHE 22 85.999 7.076 4.860 174 1HB PHE 22 1HB PHE 22 85.692 4.056 4.849 175 2HB PHE 22 2HB PHE 22 87.102 4.963 4.303 176 HD1 PHE 22 HD1 PHE 22 88.308 6.465 6.001 177 HD2 PHE 22 HD2 PHE 22 85.448 3.461 7.121 178 HE1 PHE 22 HE1 PHE 22 89.191 6.487 8.318 179 HE2 PHE 22 HE2 PHE 22 86.331 3.485 9.439 180 HZ PHE 22 HZ PHE 22 88.204 4.997 10.036 181 H ASN 23 H ASN 23 83.472 7.592 3.892 182 HA ASN 23 HA ASN 23 83.436 6.182 1.241 183 1HB ASN 23 1HB ASN 23 81.505 6.312 3.265 184 2HB ASN 23 2HB ASN 23 80.954 7.476 2.059 185 1HD2 ASN 23 2HD2 ASN 23 79.384 5.225 2.325 186 2HD2 ASN 23 1HD2 ASN 23 79.615 4.172 1.013 187 H ASN 24 H ASN 24 83.799 7.542 -0.472 188 HA ASN 24 HA ASN 24 84.256 9.584 -1.596 189 1HB ASN 24 1HB ASN 24 81.687 9.177 -1.374 190 2HB ASN 24 2HB ASN 24 81.741 10.497 -0.205 191 1HD2 ASN 24 2HD2 ASN 24 81.282 9.883 -3.470 192 2HD2 ASN 24 1HD2 ASN 24 81.698 11.408 -4.089 193 H TYR 25 H TYR 25 85.995 9.733 0.319 194 HA TYR 25 HA TYR 25 85.524 12.342 1.726 195 1HB TYR 25 1HB TYR 25 85.397 10.426 3.251 196 2HB TYR 25 2HB TYR 25 86.940 9.821 2.652 197 HD1 TYR 25 HD1 TYR 25 88.994 11.394 2.872 198 HD2 TYR 25 HD2 TYR 25 85.338 11.916 5.067 199 HE1 TYR 25 HE1 TYR 25 90.192 12.787 4.538 200 HE2 TYR 25 HE2 TYR 25 86.537 13.307 6.734 201 HH TYR 25 HH TYR 25 90.028 13.622 6.693 202 H GLY 26 H GLY 26 87.511 13.605 2.045 203 1HA GLY 26 1HA GLY 26 89.456 14.571 1.109 204 2HA GLY 26 2HA GLY 26 90.104 12.941 1.280 205 H CYS 27 H CYS 27 91.292 13.598 -0.727 206 HA CYS 27 HA CYS 27 89.749 13.808 -3.219 207 1HB CYS 27 1HB CYS 27 92.719 13.432 -2.739 208 2HB CYS 27 2HB CYS 27 91.961 14.069 -4.196 209 H TYR 28 H TYR 28 91.482 11.296 -1.443 210 HA TYR 28 HA TYR 28 91.223 9.428 -3.743 211 1HB TYR 28 1HB TYR 28 92.621 9.304 -1.055 212 2HB TYR 28 2HB TYR 28 92.690 8.024 -2.269 213 HD1 TYR 28 HD1 TYR 28 93.860 8.358 -4.395 214 HD2 TYR 28 HD2 TYR 28 93.737 11.448 -1.415 215 HE1 TYR 28 HE1 TYR 28 95.670 9.571 -5.579 216 HE2 TYR 28 HE2 TYR 28 95.546 12.662 -2.599 217 HH TYR 28 HH TYR 28 97.009 12.604 -4.272 218 H CYS 29 H CYS 29 90.631 9.206 -0.196 219 HA CYS 29 HA CYS 29 89.123 6.901 -0.074 220 1HB CYS 29 1HB CYS 29 88.526 9.546 1.291 221 2HB CYS 29 2HB CYS 29 88.009 7.961 1.861 222 H GLY 30 H GLY 30 87.524 6.291 -1.490 223 1HA GLY 30 1HA GLY 30 84.992 6.789 -1.729 224 2HA GLY 30 2HA GLY 30 85.536 8.355 -2.335 225 H LEU 31 H LEU 31 83.991 6.403 -3.833 226 HA LEU 31 HA LEU 31 85.904 5.225 -5.766 227 1HB LEU 31 1HB LEU 31 83.669 4.263 -4.753 228 2HB LEU 31 2HB LEU 31 82.907 5.233 -6.015 229 HG LEU 31 HG LEU 31 85.076 3.912 -7.252 230 1HD1 LEU 31 1HD1 LEU 31 84.226 2.432 -4.989 231 2HD1 LEU 31 2HD1 LEU 31 83.544 1.624 -6.401 232 3HD1 LEU 31 3HD1 LEU 31 85.284 1.887 -6.291 233 1HD2 LEU 31 1HD2 LEU 31 82.289 4.324 -7.581 234 2HD2 LEU 31 2HD2 LEU 31 83.430 3.708 -8.776 235 3HD2 LEU 31 3HD2 LEU 31 82.560 2.588 -7.727 236 H GLY 32 H GLY 32 86.432 7.767 -6.088 237 1HA GLY 32 1HA GLY 32 86.006 8.541 -8.669 238 2HA GLY 32 2HA GLY 32 84.542 9.127 -7.874 239 H GLY 33 H GLY 33 88.098 9.289 -7.667 240 1HA GLY 33 1HA GLY 33 88.023 12.152 -7.240 241 2HA GLY 33 2HA GLY 33 88.402 11.288 -5.749 242 H SER 34 H SER 34 90.365 12.900 -6.614 243 HA SER 34 HA SER 34 92.643 11.251 -6.890 244 1HB SER 34 1HB SER 34 92.951 12.003 -9.451 245 2HB SER 34 2HB SER 34 92.117 10.515 -9.015 246 HG SER 34 HG SER 34 90.902 11.822 -10.460 247 H GLY 35 H GLY 35 94.558 12.527 -6.871 248 1HA GLY 35 1HA GLY 35 95.542 14.771 -7.587 249 2HA GLY 35 2HA GLY 35 94.082 15.481 -6.892 250 H THR 36 H THR 36 96.346 16.436 -5.837 251 HA THR 36 HA THR 36 97.719 15.132 -3.789 252 HB THR 36 HB THR 36 96.609 17.945 -4.003 253 HG1 THR 36 HG1 THR 36 98.090 17.570 -5.559 254 1HG2 THR 36 1HG2 THR 36 97.139 17.296 -1.635 255 2HG2 THR 36 2HG2 THR 36 98.793 16.962 -2.150 256 3HG2 THR 36 3HG2 THR 36 98.150 18.600 -2.257 257 HA PRO 37 HA PRO 37 94.556 14.080 -0.897 258 1HB PRO 37 1HB PRO 37 96.151 13.656 1.287 259 2HB PRO 37 2HB PRO 37 96.033 12.508 -0.063 260 1HG PRO 37 1HG PRO 37 98.140 14.527 0.526 261 2HG PRO 37 2HG PRO 37 98.298 12.884 -0.115 262 1HD PRO 37 1HD PRO 37 98.440 15.122 -1.665 263 2HD PRO 37 2HD PRO 37 97.886 13.544 -2.267 264 H VAL 38 H VAL 38 94.165 14.749 1.619 265 HA VAL 38 HA VAL 38 94.813 17.657 1.932 266 HB VAL 38 HB VAL 38 92.404 17.950 2.575 267 1HG1 VAL 38 1HG1 VAL 38 93.498 17.403 -0.053 268 2HG1 VAL 38 2HG1 VAL 38 91.789 16.970 0.010 269 3HG1 VAL 38 3HG1 VAL 38 92.300 18.607 0.422 270 1HG2 VAL 38 1HG2 VAL 38 92.313 15.049 1.707 271 2HG2 VAL 38 2HG2 VAL 38 91.829 15.719 3.265 272 3HG2 VAL 38 3HG2 VAL 38 90.875 16.061 1.822 273 H ASP 39 H ASP 39 93.560 14.692 3.483 274 HA ASP 39 HA ASP 39 94.617 15.737 6.091 275 1HB ASP 39 1HB ASP 39 92.020 15.118 5.358 276 2HB ASP 39 2HB ASP 39 92.552 13.651 6.178 277 H ASP 40 H ASP 40 95.071 13.813 7.639 278 HA ASP 40 HA ASP 40 97.083 12.126 6.515 279 1HB ASP 40 1HB ASP 40 96.083 12.874 9.023 280 2HB ASP 40 2HB ASP 40 95.855 11.125 8.963 281 H LEU 41 H LEU 41 93.672 11.456 7.385 282 HA LEU 41 HA LEU 41 93.743 8.653 6.771 283 1HB LEU 41 1HB LEU 41 92.003 10.033 8.056 284 2HB LEU 41 2HB LEU 41 91.378 10.522 6.479 285 HG LEU 41 HG LEU 41 91.169 8.082 5.887 286 1HD1 LEU 41 1HD1 LEU 41 91.766 7.744 8.841 287 2HD1 LEU 41 2HD1 LEU 41 91.237 6.462 7.751 288 3HD1 LEU 41 3HD1 LEU 41 92.807 7.227 7.516 289 1HD2 LEU 41 1HD2 LEU 41 89.426 9.686 7.216 290 2HD2 LEU 41 2HD2 LEU 41 89.039 8.039 6.722 291 3HD2 LEU 41 3HD2 LEU 41 89.571 8.362 8.372 292 H ASP 42 H ASP 42 92.811 11.492 4.802 293 HA ASP 42 HA ASP 42 92.024 10.134 2.449 294 1HB ASP 42 1HB ASP 42 91.865 12.597 3.014 295 2HB ASP 42 2HB ASP 42 93.589 12.730 2.671 296 H ARG 43 H ARG 43 95.242 11.082 3.615 297 HA ARG 43 HA ARG 43 96.805 10.400 1.354 298 1HB ARG 43 1HB ARG 43 97.132 10.548 4.330 299 2HB ARG 43 2HB ARG 43 98.451 9.866 3.378 300 1HG ARG 43 1HG ARG 43 97.620 12.172 1.991 301 2HG ARG 43 2HG ARG 43 97.682 12.633 3.693 302 1HD ARG 43 1HD ARG 43 99.867 12.890 2.418 303 2HD ARG 43 2HD ARG 43 99.981 11.893 3.874 304 HE ARG 43 HE ARG 43 99.276 10.180 1.771 305 1HH1 ARG 43 1HH1 ARG 43 101.097 11.828 0.125 306 2HH1 ARG 43 2HH1 ARG 43 102.643 11.106 0.422 307 1HH2 ARG 43 1HH2 ARG 43 101.600 9.410 3.262 308 2HH2 ARG 43 2HH2 ARG 43 102.927 9.737 2.198 309 H CYS 44 H CYS 44 95.586 8.396 4.026 310 HA CYS 44 HA CYS 44 96.956 6.005 3.455 311 1HB CYS 44 1HB CYS 44 94.179 6.549 4.541 312 2HB CYS 44 2HB CYS 44 94.989 4.988 4.657 313 H CYS 45 H CYS 45 93.939 7.316 2.121 314 HA CYS 45 HA CYS 45 93.201 5.030 0.545 315 1HB CYS 45 1HB CYS 45 92.650 7.999 0.467 316 2HB CYS 45 2HB CYS 45 91.940 6.906 -0.720 317 H GLN 46 H GLN 46 95.057 7.985 -0.251 318 HA GLN 46 HA GLN 46 95.522 7.506 -2.997 319 1HB GLN 46 1HB GLN 46 96.133 9.584 -1.970 320 2HB GLN 46 2HB GLN 46 97.152 8.771 -0.781 321 1HG GLN 46 1HG GLN 46 98.716 8.092 -2.522 322 2HG GLN 46 2HG GLN 46 97.670 8.771 -3.767 323 1HE2 GLN 46 2HE2 GLN 46 100.056 9.877 -3.932 324 2HE2 GLN 46 1HE2 GLN 46 100.141 11.390 -3.178 325 H THR 47 H THR 47 97.186 6.249 -0.130 326 HA THR 47 HA THR 47 99.321 4.923 -1.481 327 HB THR 47 HB THR 47 98.041 3.988 1.079 328 HG1 THR 47 HG1 THR 47 99.373 6.416 0.544 329 1HG2 THR 47 1HG2 THR 47 100.101 2.892 0.151 330 2HG2 THR 47 2HG2 THR 47 100.935 4.439 0.306 331 3HG2 THR 47 3HG2 THR 47 100.339 3.610 1.745 332 H HIS 48 H HIS 48 96.000 3.988 -0.712 333 HA HIS 48 HA HIS 48 96.221 1.182 -1.272 334 1HB HIS 48 1HB HIS 48 94.358 2.435 -0.102 335 2HB HIS 48 2HB HIS 48 93.859 3.045 -1.679 336 HD1 HIS 48 HD1 HIS 48 91.679 1.748 -1.922 337 HD2 HIS 48 HD2 HIS 48 94.934 -0.720 -1.087 338 HE1 HIS 48 HE1 HIS 48 90.869 -0.632 -2.224 339 H ASP 49 H ASP 49 95.123 3.912 -3.301 340 HA ASP 49 HA ASP 49 94.754 2.464 -5.705 341 1HB ASP 49 1HB ASP 49 95.333 5.304 -4.911 342 2HB ASP 49 2HB ASP 49 95.293 4.877 -6.621 343 H ASN 50 H ASN 50 97.590 4.172 -4.405 344 HA ASN 50 HA ASN 50 99.373 3.862 -6.556 345 1HB ASN 50 1HB ASN 50 99.547 4.104 -3.573 346 2HB ASN 50 2HB ASN 50 101.026 3.794 -4.479 347 1HD2 ASN 50 2HD2 ASN 50 98.128 5.911 -4.951 348 2HD2 ASN 50 1HD2 ASN 50 99.028 7.298 -5.336 349 H CYS 51 H CYS 51 98.417 1.596 -4.021 350 HA CYS 51 HA CYS 51 100.412 -0.420 -4.615 351 1HB CYS 51 1HB CYS 51 98.966 -0.018 -2.513 352 2HB CYS 51 2HB CYS 51 97.676 -0.836 -3.394 353 H TYR 52 H TYR 52 96.984 0.019 -5.539 354 HA TYR 52 HA TYR 52 96.670 -2.374 -7.046 355 1HB TYR 52 1HB TYR 52 95.427 0.338 -6.889 356 2HB TYR 52 2HB TYR 52 95.010 -0.664 -8.280 357 HD1 TYR 52 HD1 TYR 52 95.782 -1.605 -4.739 358 HD2 TYR 52 HD2 TYR 52 92.858 -1.516 -7.886 359 HE1 TYR 52 HE1 TYR 52 94.225 -2.923 -3.329 360 HE2 TYR 52 HE2 TYR 52 91.300 -2.833 -6.475 361 HH TYR 52 HH TYR 52 91.432 -4.403 -4.564 362 H LYS 53 H LYS 53 98.271 0.652 -7.808 363 HA LYS 53 HA LYS 53 98.408 0.205 -10.698 364 1HB LYS 53 1HB LYS 53 100.361 1.895 -9.156 365 2HB LYS 53 2HB LYS 53 99.582 2.236 -10.697 366 1HG LYS 53 1HG LYS 53 97.517 2.029 -8.777 367 2HG LYS 53 2HG LYS 53 98.771 3.029 -8.059 368 1HD LYS 53 1HD LYS 53 97.570 3.455 -10.808 369 2HD LYS 53 2HD LYS 53 97.166 4.391 -9.368 370 1HE LYS 53 1HE LYS 53 99.252 5.451 -9.307 371 2HE LYS 53 2HE LYS 53 100.046 4.154 -10.219 372 1HZ LYS 53 1HZ LYS 53 97.816 5.439 -11.555 373 2HZ LYS 53 2HZ LYS 53 99.184 6.422 -11.340 374 3HZ LYS 53 3HZ LYS 53 99.321 4.954 -12.178 375 H GLN 54 H GLN 54 100.721 0.097 -8.027 376 HA GLN 54 HA GLN 54 102.957 -0.953 -9.371 377 1HB GLN 54 1HB GLN 54 101.901 -1.328 -6.555 378 2HB GLN 54 2HB GLN 54 103.529 -1.786 -7.051 379 1HG GLN 54 1HG GLN 54 102.365 1.006 -7.282 380 2HG GLN 54 2HG GLN 54 103.476 0.475 -6.019 381 1HE2 GLN 54 2HE2 GLN 54 103.554 2.259 -8.730 382 2HE2 GLN 54 1HE2 GLN 54 105.086 1.853 -9.339 383 H ALA 55 H ALA 55 100.125 -2.581 -8.038 384 HA ALA 55 HA ALA 55 101.049 -5.285 -8.271 385 1HB ALA 55 1HB ALA 55 99.031 -4.251 -7.037 386 2HB ALA 55 2HB ALA 55 98.203 -4.317 -8.592 387 3HB ALA 55 3HB ALA 55 98.767 -5.805 -7.830 388 H LYS 56 H LYS 56 99.196 -3.205 -10.512 389 HA LYS 56 HA LYS 56 98.850 -5.197 -12.554 390 1HB LYS 56 1HB LYS 56 98.856 -2.173 -12.459 391 2HB LYS 56 2HB LYS 56 98.499 -3.057 -13.944 392 1HG LYS 56 1HG LYS 56 96.882 -4.374 -12.204 393 2HG LYS 56 2HG LYS 56 96.871 -2.764 -11.484 394 1HD LYS 56 1HD LYS 56 96.604 -2.251 -14.201 395 2HD LYS 56 2HD LYS 56 95.622 -3.697 -13.959 396 1HE LYS 56 1HE LYS 56 94.405 -2.586 -12.124 397 2HE LYS 56 2HE LYS 56 95.401 -1.133 -12.338 398 1HZ LYS 56 1HZ LYS 56 94.300 -2.138 -14.797 399 2HZ LYS 56 2HZ LYS 56 93.104 -1.665 -13.690 400 3HZ LYS 56 3HZ LYS 56 94.296 -0.557 -14.175 401 H LYS 57 H LYS 57 101.357 -2.720 -12.009 402 HA LYS 57 HA LYS 57 102.806 -3.085 -14.417 403 1HB LYS 57 1HB LYS 57 103.041 -1.769 -11.850 404 2HB LYS 57 2HB LYS 57 104.600 -2.432 -12.342 405 1HG LYS 57 1HG LYS 57 104.277 -0.129 -13.200 406 2HG LYS 57 2HG LYS 57 104.419 -1.299 -14.514 407 1HD LYS 57 1HD LYS 57 102.431 -0.602 -15.300 408 2HD LYS 57 2HD LYS 57 101.674 -1.197 -13.821 409 1HE LYS 57 1HE LYS 57 102.586 1.093 -12.820 410 2HE LYS 57 2HE LYS 57 102.511 1.594 -14.521 411 1HZ LYS 57 1HZ LYS 57 100.293 0.160 -13.178 412 2HZ LYS 57 2HZ LYS 57 100.386 1.857 -13.214 413 3HZ LYS 57 3HZ LYS 57 100.256 0.979 -14.662 414 H LEU 58 H LEU 58 102.815 -4.899 -11.392 415 HA LEU 58 HA LEU 58 105.228 -6.297 -11.543 416 1HB LEU 58 1HB LEU 58 102.529 -6.656 -10.402 417 2HB LEU 58 2HB LEU 58 103.452 -8.148 -10.583 418 HG LEU 58 HG LEU 58 104.960 -5.850 -9.482 419 1HD1 LEU 58 1HD1 LEU 58 102.450 -6.849 -8.273 420 2HD1 LEU 58 2HD1 LEU 58 103.834 -6.787 -7.181 421 3HD1 LEU 58 3HD1 LEU 58 103.297 -5.325 -8.010 422 1HD2 LEU 58 1HD2 LEU 58 105.494 -8.455 -9.779 423 2HD2 LEU 58 2HD2 LEU 58 106.151 -7.529 -8.429 424 3HD2 LEU 58 3HD2 LEU 58 104.724 -8.538 -8.194 425 H ASP 59 H ASP 59 105.971 -8.015 -12.789 426 HA ASP 59 HA ASP 59 104.842 -8.618 -15.321 427 1HB ASP 59 1HB ASP 59 107.198 -8.994 -14.443 428 2HB ASP 59 2HB ASP 59 106.576 -10.412 -13.597 429 H SER 60 H SER 60 104.890 -10.715 -12.411 430 HA SER 60 HA SER 60 103.305 -12.821 -13.198 431 1HB SER 60 1HB SER 60 103.124 -11.258 -10.604 432 2HB SER 60 2HB SER 60 102.641 -12.938 -10.821 433 HG SER 60 HG SER 60 105.039 -11.982 -10.251 434 H CYS 61 H CYS 61 102.005 -9.786 -11.792 435 HA CYS 61 HA CYS 61 99.251 -10.363 -12.195 436 1HB CYS 61 1HB CYS 61 100.861 -7.793 -12.107 437 2HB CYS 61 2HB CYS 61 99.098 -7.826 -12.078 438 H LYS 62 H LYS 62 101.653 -8.824 -14.318 439 HA LYS 62 HA LYS 62 100.169 -7.820 -16.412 440 1HB LYS 62 1HB LYS 62 102.771 -8.488 -15.952 441 2HB LYS 62 2HB LYS 62 102.353 -9.670 -17.193 442 1HG LYS 62 1HG LYS 62 102.962 -7.904 -18.552 443 2HG LYS 62 2HG LYS 62 101.252 -7.523 -18.339 444 1HD LYS 62 1HD LYS 62 101.919 -6.115 -16.340 445 2HD LYS 62 2HD LYS 62 103.598 -6.347 -16.828 446 1HE LYS 62 1HE LYS 62 101.499 -5.248 -18.722 447 2HE LYS 62 2HE LYS 62 102.515 -4.208 -17.705 448 1HZ LYS 62 1HZ LYS 62 103.634 -6.351 -19.419 449 2HZ LYS 62 2HZ LYS 62 103.441 -4.757 -19.973 450 3HZ LYS 62 3HZ LYS 62 104.466 -5.078 -18.660 451 H VAL 63 H VAL 63 100.996 -11.289 -15.995 452 HA VAL 63 HA VAL 63 98.637 -11.939 -17.735 453 HB VAL 63 HB VAL 63 101.350 -13.300 -17.714 454 1HG1 VAL 63 1HG1 VAL 63 98.753 -13.749 -19.110 455 2HG1 VAL 63 2HG1 VAL 63 100.225 -13.986 -20.052 456 3HG1 VAL 63 3HG1 VAL 63 99.962 -14.919 -18.579 457 1HG2 VAL 63 1HG2 VAL 63 100.185 -11.102 -19.415 458 2HG2 VAL 63 2HG2 VAL 63 101.794 -11.215 -18.703 459 3HG2 VAL 63 3HG2 VAL 63 101.373 -12.215 -20.093 460 H LEU 64 H LEU 64 97.796 -12.147 -15.335 461 HA LEU 64 HA LEU 64 98.121 -15.001 -14.551 462 1HB LEU 64 1HB LEU 64 98.872 -12.542 -13.042 463 2HB LEU 64 2HB LEU 64 98.131 -13.849 -12.122 464 HG LEU 64 HG LEU 64 100.599 -14.053 -13.874 465 1HD1 LEU 64 1HD1 LEU 64 100.728 -13.001 -11.526 466 2HD1 LEU 64 2HD1 LEU 64 100.339 -14.609 -10.914 467 3HD1 LEU 64 3HD1 LEU 64 101.811 -14.354 -11.852 468 1HD2 LEU 64 1HD2 LEU 64 98.707 -16.062 -12.864 469 2HD2 LEU 64 2HD2 LEU 64 99.947 -16.215 -14.109 470 3HD2 LEU 64 3HD2 LEU 64 100.379 -16.389 -12.409 471 H VAL 65 H VAL 65 96.481 -12.024 -13.364 472 HA VAL 65 HA VAL 65 93.905 -13.415 -13.667 473 HB VAL 65 HB VAL 65 94.942 -12.023 -11.207 474 1HG1 VAL 65 1HG1 VAL 65 92.250 -12.850 -12.067 475 2HG1 VAL 65 2HG1 VAL 65 92.696 -13.426 -10.461 476 3HG1 VAL 65 3HG1 VAL 65 92.726 -11.699 -10.818 477 1HG2 VAL 65 1HG2 VAL 65 94.936 -14.822 -12.117 478 2HG2 VAL 65 2HG2 VAL 65 95.909 -14.054 -10.864 479 3HG2 VAL 65 3HG2 VAL 65 94.274 -14.604 -10.499 480 H ASP 66 H ASP 66 95.413 -11.128 -14.857 481 HA ASP 66 HA ASP 66 94.860 -9.021 -15.807 482 1HB ASP 66 1HB ASP 66 92.684 -10.531 -15.932 483 2HB ASP 66 2HB ASP 66 92.083 -9.383 -14.735 484 H ASN 67 H ASN 67 93.186 -7.015 -14.942 485 HA ASN 67 HA ASN 67 94.514 -5.561 -13.030 486 1HB ASN 67 1HB ASN 67 91.494 -5.774 -13.243 487 2HB ASN 67 2HB ASN 67 92.418 -4.361 -12.731 488 1HD2 ASN 67 2HD2 ASN 67 90.763 -5.502 -15.352 489 2HD2 ASN 67 1HD2 ASN 67 91.628 -4.740 -16.599 490 HA PRO 68 HA PRO 68 93.995 -7.497 -9.127 491 1HB PRO 68 1HB PRO 68 93.849 -5.334 -7.459 492 2HB PRO 68 2HB PRO 68 95.353 -5.844 -8.250 493 1HG PRO 68 1HG PRO 68 93.500 -3.634 -8.957 494 2HG PRO 68 2HG PRO 68 95.265 -3.706 -9.061 495 1HD PRO 68 1HD PRO 68 93.582 -4.002 -11.207 496 2HD PRO 68 2HD PRO 68 95.229 -4.664 -11.130 497 H TYR 69 H TYR 69 91.599 -5.260 -10.278 498 HA TYR 69 HA TYR 69 89.676 -5.469 -8.153 499 1HB TYR 69 1HB TYR 69 89.894 -4.509 -10.923 500 2HB TYR 69 2HB TYR 69 88.273 -5.068 -10.507 501 HD1 TYR 69 HD1 TYR 69 91.059 -3.024 -9.021 502 HD2 TYR 69 HD2 TYR 69 86.822 -3.554 -9.471 503 HE1 TYR 69 HE1 TYR 69 90.662 -0.933 -7.746 504 HE2 TYR 69 HE2 TYR 69 86.424 -1.465 -8.197 505 HH TYR 69 HH TYR 69 87.350 0.181 -7.034 506 H THR 70 H THR 70 89.478 -6.996 -11.393 507 HA THR 70 HA THR 70 87.461 -8.849 -10.812 508 HB THR 70 HB THR 70 88.297 -8.345 -13.053 509 HG1 THR 70 HG1 THR 70 87.383 -10.371 -12.836 510 1HG2 THR 70 1HG2 THR 70 90.842 -9.146 -11.797 511 2HG2 THR 70 2HG2 THR 70 90.606 -9.755 -13.435 512 3HG2 THR 70 3HG2 THR 70 90.545 -8.021 -13.122 513 H ASN 71 H ASN 71 90.773 -8.821 -9.803 514 HA ASN 71 HA ASN 71 91.014 -11.678 -9.263 515 1HB ASN 71 1HB ASN 71 92.905 -10.126 -9.723 516 2HB ASN 71 2HB ASN 71 92.550 -9.276 -8.219 517 1HD2 ASN 71 2HD2 ASN 71 94.858 -11.204 -9.232 518 2HD2 ASN 71 1HD2 ASN 71 95.060 -12.249 -7.911 519 H ASN 72 H ASN 72 89.309 -12.317 -7.871 520 HA ASN 72 HA ASN 72 88.788 -10.807 -5.388 521 1HB ASN 72 1HB ASN 72 86.984 -11.803 -6.748 522 2HB ASN 72 2HB ASN 72 87.694 -13.403 -6.522 523 1HD2 ASN 72 2HD2 ASN 72 87.578 -14.360 -4.347 524 2HD2 ASN 72 1HD2 ASN 72 86.486 -13.764 -3.192 525 H TYR 73 H TYR 73 90.696 -11.097 -4.116 526 HA TYR 73 HA TYR 73 91.825 -13.768 -3.684 527 1HB TYR 73 1HB TYR 73 93.368 -12.527 -2.246 528 2HB TYR 73 2HB TYR 73 93.125 -11.632 -3.745 529 HD1 TYR 73 HD1 TYR 73 92.111 -11.847 -0.176 530 HD2 TYR 73 HD2 TYR 73 92.116 -9.469 -3.752 531 HE1 TYR 73 HE1 TYR 73 91.314 -9.892 1.124 532 HE2 TYR 73 HE2 TYR 73 91.317 -7.513 -2.453 533 HH TYR 73 HH TYR 73 91.356 -6.731 -0.102 534 H SER 74 H SER 74 92.313 -13.956 -1.028 535 HA SER 74 HA SER 74 89.612 -13.864 0.277 536 1HB SER 74 1HB SER 74 91.448 -16.039 1.038 537 2HB SER 74 2HB SER 74 89.734 -16.108 0.640 538 HG SER 74 HG SER 74 90.553 -17.023 -1.102 539 H TYR 75 H TYR 75 89.752 -13.876 2.680 540 HA TYR 75 HA TYR 75 92.309 -13.396 3.997 541 1HB TYR 75 1HB TYR 75 92.165 -11.060 4.257 542 2HB TYR 75 2HB TYR 75 91.606 -11.293 2.601 543 HD1 TYR 75 HD1 TYR 75 89.042 -11.551 2.237 544 HD2 TYR 75 HD2 TYR 75 90.782 -9.978 5.835 545 HE1 TYR 75 HE1 TYR 75 86.876 -10.497 2.822 546 HE2 TYR 75 HE2 TYR 75 88.616 -8.921 6.421 547 HH TYR 75 HH TYR 75 86.165 -8.444 4.284 548 H SER 76 H SER 76 91.497 -12.067 6.242 549 HA SER 76 HA SER 76 88.921 -13.074 7.224 550 1HB SER 76 1HB SER 76 91.352 -14.615 7.398 551 2HB SER 76 2HB SER 76 90.812 -14.183 9.019 552 HG SER 76 HG SER 76 89.666 -15.833 7.123 553 H CYS 77 H CYS 77 88.955 -12.708 9.787 554 HA CYS 77 HA CYS 77 90.534 -10.231 10.391 555 1HB CYS 77 1HB CYS 77 88.362 -9.467 9.817 556 2HB CYS 77 2HB CYS 77 87.590 -10.825 10.620 557 H SER 78 H SER 78 90.537 -9.809 12.772 558 HA SER 78 HA SER 78 89.777 -11.587 14.814 559 1HB SER 78 1HB SER 78 91.769 -12.652 13.041 560 2HB SER 78 2HB SER 78 92.504 -12.419 14.625 561 HG SER 78 HG SER 78 90.946 -13.699 15.525 562 H ASN 79 H ASN 79 90.414 -10.713 16.788 563 HA ASN 79 HA ASN 79 91.282 -9.014 18.199 564 1HB ASN 79 1HB ASN 79 93.757 -9.861 16.659 565 2HB ASN 79 2HB ASN 79 93.720 -9.182 18.287 566 1HD2 ASN 79 2HD2 ASN 79 94.865 -11.358 18.775 567 2HD2 ASN 79 1HD2 ASN 79 93.873 -12.698 19.102 568 H ASN 80 H ASN 80 90.073 -7.720 16.129 569 HA ASN 80 HA ASN 80 90.098 -5.810 14.787 570 1HB ASN 80 1HB ASN 80 92.225 -4.987 16.755 571 2HB ASN 80 2HB ASN 80 91.006 -3.986 15.999 572 1HD2 ASN 80 2HD2 ASN 80 88.845 -5.874 16.389 573 2HD2 ASN 80 1HD2 ASN 80 88.528 -5.866 18.039 574 H GLU 81 H GLU 81 91.736 -7.868 13.823 575 HA GLU 81 HA GLU 81 93.780 -6.285 12.398 576 1HB GLU 81 1HB GLU 81 94.138 -8.879 13.893 577 2HB GLU 81 2HB GLU 81 95.285 -8.342 12.664 578 1HG GLU 81 1HG GLU 81 94.871 -6.084 14.247 579 2HG GLU 81 2HG GLU 81 94.952 -7.414 15.396 580 H ILE 82 H ILE 82 94.379 -7.244 10.324 581 HA ILE 82 HA ILE 82 92.130 -8.827 9.175 582 HB ILE 82 HB ILE 82 94.352 -7.115 8.036 583 1HG1 ILE 82 1HG1 ILE 82 91.423 -6.679 7.601 584 2HG1 ILE 82 2HG1 ILE 82 92.094 -6.278 9.183 585 1HG2 ILE 82 1HG2 ILE 82 93.020 -9.278 6.777 586 2HG2 ILE 82 2HG2 ILE 82 92.301 -7.802 6.132 587 3HG2 ILE 82 3HG2 ILE 82 94.042 -8.058 6.017 588 1HD1 ILE 82 1HD1 ILE 82 93.340 -5.307 6.604 589 2HD1 ILE 82 2HD1 ILE 82 92.096 -4.392 7.456 590 3HD1 ILE 82 3HD1 ILE 82 93.641 -4.723 8.241 591 H THR 83 H THR 83 92.447 -10.828 8.242 592 HA THR 83 HA THR 83 95.194 -12.016 8.452 593 HB THR 83 HB THR 83 92.388 -12.964 8.935 594 HG1 THR 83 HG1 THR 83 93.391 -13.821 10.738 595 1HG2 THR 83 1HG2 THR 83 93.245 -14.519 7.214 596 2HG2 THR 83 2HG2 THR 83 94.680 -14.807 8.197 597 3HG2 THR 83 3HG2 THR 83 93.094 -15.314 8.780 598 H CYS 84 H CYS 84 96.071 -12.856 6.547 599 HA CYS 84 HA CYS 84 94.271 -12.935 4.143 600 1HB CYS 84 1HB CYS 84 96.472 -11.275 4.719 601 2HB CYS 84 2HB CYS 84 97.074 -12.466 3.565 602 H SER 85 H SER 85 94.384 -14.814 2.950 603 HA SER 85 HA SER 85 95.671 -17.158 3.977 604 1HB SER 85 1HB SER 85 94.827 -18.156 1.938 605 2HB SER 85 2HB SER 85 93.649 -16.956 2.460 606 HG SER 85 HG SER 85 94.105 -15.780 0.764 607 H SER 86 H SER 86 97.831 -17.635 3.879 608 HA SER 86 HA SER 86 99.779 -16.083 2.504 609 1HB SER 86 1HB SER 86 101.257 -17.971 3.118 610 2HB SER 86 2HB SER 86 100.178 -17.560 4.447 611 HG SER 86 HG SER 86 99.045 -19.358 4.101 612 H GLU 87 H GLU 87 97.638 -18.512 1.332 613 HA GLU 87 HA GLU 87 99.097 -19.715 -0.768 614 1HB GLU 87 1HB GLU 87 96.226 -18.928 -0.301 615 2HB GLU 87 2HB GLU 87 96.700 -19.709 -1.810 616 1HG GLU 87 1HG GLU 87 97.515 -21.647 -0.648 617 2HG GLU 87 2HG GLU 87 97.378 -20.840 0.915 618 H ASN 88 H ASN 88 97.748 -16.491 -0.487 619 HA ASN 88 HA ASN 88 97.518 -15.608 -3.103 620 1HB ASN 88 1HB ASN 88 98.854 -14.175 -0.786 621 2HB ASN 88 2HB ASN 88 98.079 -13.405 -2.171 622 1HD2 ASN 88 2HD2 ASN 88 96.977 -12.631 0.176 623 2HD2 ASN 88 1HD2 ASN 88 95.506 -13.421 0.478 624 H ASN 89 H ASN 89 98.939 -15.307 -4.797 625 HA ASN 89 HA ASN 89 101.792 -15.999 -4.352 626 1HB ASN 89 1HB ASN 89 101.779 -16.147 -6.827 627 2HB ASN 89 2HB ASN 89 100.464 -17.089 -6.126 628 1HD2 ASN 89 2HD2 ASN 89 99.198 -16.836 -8.139 629 2HD2 ASN 89 1HD2 ASN 89 98.442 -15.360 -8.498 630 H ALA 90 H ALA 90 103.102 -14.608 -6.258 631 HA ALA 90 HA ALA 90 103.774 -12.143 -5.221 632 1HB ALA 90 1HB ALA 90 103.718 -13.291 -8.002 633 2HB ALA 90 2HB ALA 90 104.320 -11.654 -7.736 634 3HB ALA 90 3HB ALA 90 105.105 -13.022 -6.945 635 H CYS 91 H CYS 91 101.213 -12.745 -7.650 636 HA CYS 91 HA CYS 91 100.438 -9.921 -7.737 637 1HB CYS 91 1HB CYS 91 100.309 -11.808 -9.538 638 2HB CYS 91 2HB CYS 91 98.814 -12.263 -8.718 639 H GLU 92 H GLU 92 98.793 -12.912 -6.617 640 HA GLU 92 HA GLU 92 96.552 -11.617 -5.421 641 1HB GLU 92 1HB GLU 92 97.414 -14.170 -5.906 642 2HB GLU 92 2HB GLU 92 97.589 -14.078 -4.154 643 1HG GLU 92 1HG GLU 92 95.372 -14.419 -3.967 644 2HG GLU 92 2HG GLU 92 95.115 -12.856 -4.743 645 H ALA 93 H ALA 93 99.755 -12.453 -4.121 646 HA ALA 93 HA ALA 93 99.193 -11.730 -1.384 647 1HB ALA 93 1HB ALA 93 101.060 -13.175 -2.208 648 2HB ALA 93 2HB ALA 93 101.798 -11.754 -2.947 649 3HB ALA 93 3HB ALA 93 101.640 -11.853 -1.194 650 H PHE 94 H PHE 94 100.534 -9.950 -4.163 651 HA PHE 94 HA PHE 94 101.211 -7.545 -2.755 652 1HB PHE 94 1HB PHE 94 101.876 -8.374 -5.086 653 2HB PHE 94 2HB PHE 94 100.296 -7.808 -5.630 654 HD1 PHE 94 HD1 PHE 94 99.673 -5.342 -4.897 655 HD2 PHE 94 HD2 PHE 94 103.674 -6.890 -5.117 656 HE1 PHE 94 HE1 PHE 94 100.559 -3.031 -5.058 657 HE2 PHE 94 HE2 PHE 94 104.560 -4.579 -5.278 658 HZ PHE 94 HZ PHE 94 103.002 -2.649 -5.248 659 H ILE 95 H ILE 95 98.230 -8.581 -4.428 660 HA ILE 95 HA ILE 95 96.800 -6.117 -4.201 661 HB ILE 95 HB ILE 95 95.989 -9.033 -4.339 662 1HG1 ILE 95 1HG1 ILE 95 95.959 -6.797 -6.394 663 2HG1 ILE 95 2HG1 ILE 95 97.200 -8.045 -6.284 664 1HG2 ILE 95 1HG2 ILE 95 94.275 -6.538 -4.534 665 2HG2 ILE 95 2HG2 ILE 95 93.740 -8.151 -5.008 666 3HG2 ILE 95 3HG2 ILE 95 94.143 -7.814 -3.324 667 1HD1 ILE 95 1HD1 ILE 95 94.880 -9.533 -6.292 668 2HD1 ILE 95 2HD1 ILE 95 94.478 -8.205 -7.382 669 3HD1 ILE 95 3HD1 ILE 95 95.884 -9.219 -7.709 670 H CYS 96 H CYS 96 96.992 -8.939 -2.015 671 HA CYS 96 HA CYS 96 95.108 -8.044 -0.068 672 1HB CYS 96 1HB CYS 96 95.874 -10.303 -0.044 673 2HB CYS 96 2HB CYS 96 97.566 -9.807 -0.033 674 H ASN 97 H ASN 97 98.592 -7.412 -0.451 675 HA ASN 97 HA ASN 97 99.035 -6.041 2.015 676 1HB ASN 97 1HB ASN 97 100.259 -5.982 -0.747 677 2HB ASN 97 2HB ASN 97 100.891 -4.969 0.547 678 1HD2 ASN 97 2HD2 ASN 97 102.741 -6.695 -0.223 679 2HD2 ASN 97 1HD2 ASN 97 102.851 -8.044 0.793 680 H CYS 98 H CYS 98 97.671 -4.987 -1.067 681 HA CYS 98 HA CYS 98 97.766 -2.150 -0.570 682 1HB CYS 98 1HB CYS 98 95.765 -3.724 -2.218 683 2HB CYS 98 2HB CYS 98 96.303 -2.067 -2.488 684 H ASP 99 H ASP 99 95.153 -4.565 -0.171 685 HA ASP 99 HA ASP 99 93.286 -2.701 1.023 686 1HB ASP 99 1HB ASP 99 93.547 -5.716 0.888 687 2HB ASP 99 2HB ASP 99 92.158 -4.916 1.621 688 H ARG 100 H ARG 100 95.712 -4.948 2.292 689 HA ARG 100 HA ARG 100 94.916 -4.792 5.062 690 1HB ARG 100 1HB ARG 100 96.294 -6.588 4.127 691 2HB ARG 100 2HB ARG 100 97.546 -5.429 3.684 692 1HG ARG 100 1HG ARG 100 98.224 -6.479 5.751 693 2HG ARG 100 2HG ARG 100 97.743 -4.824 6.123 694 1HD ARG 100 1HD ARG 100 96.374 -5.750 7.696 695 2HD ARG 100 2HD ARG 100 95.357 -6.257 6.337 696 HE ARG 100 HE ARG 100 96.039 -8.430 6.896 697 1HH1 ARG 100 1HH2 ARG 100 97.541 -7.526 9.347 698 2HH1 ARG 100 2HH2 ARG 100 99.137 -8.116 9.022 699 1HH2 ARG 100 1HH1 ARG 100 98.548 -8.619 5.642 700 2HH2 ARG 100 2HH1 ARG 100 99.706 -8.734 6.924 701 H ASN 101 H ASN 101 97.761 -3.349 3.425 702 HA ASN 101 HA ASN 101 98.510 -1.602 5.533 703 1HB ASN 101 1HB ASN 101 98.918 -1.819 2.580 704 2HB ASN 101 2HB ASN 101 99.390 -0.308 3.353 705 1HD2 ASN 101 2HD2 ASN 101 101.589 -1.336 2.525 706 2HD2 ASN 101 1HD2 ASN 101 102.408 -2.290 3.659 707 H ALA 102 H ALA 102 96.045 -1.284 3.038 708 HA ALA 102 HA ALA 102 95.606 1.562 3.335 709 1HB ALA 102 1HB ALA 102 93.855 -0.716 2.348 710 2HB ALA 102 2HB ALA 102 93.524 0.997 2.083 711 3HB ALA 102 3HB ALA 102 94.950 0.251 1.361 712 H ALA 103 H ALA 103 93.776 -1.285 4.527 713 HA ALA 103 HA ALA 103 91.956 0.217 6.161 714 1HB ALA 103 1HB ALA 103 92.197 -2.342 5.297 715 2HB ALA 103 2HB ALA 103 92.776 -2.534 6.952 716 3HB ALA 103 3HB ALA 103 91.162 -1.889 6.652 717 H ILE 104 H ILE 104 95.127 -1.246 6.798 718 HA ILE 104 HA ILE 104 95.190 -0.877 9.633 719 HB ILE 104 HB ILE 104 97.266 -1.025 7.439 720 1HG1 ILE 104 1HG1 ILE 104 96.311 -2.956 9.579 721 2HG1 ILE 104 2HG1 ILE 104 95.991 -3.073 7.849 722 1HG2 ILE 104 1HG2 ILE 104 97.570 -0.378 10.310 723 2HG2 ILE 104 2HG2 ILE 104 98.621 -1.666 9.722 724 3HG2 ILE 104 3HG2 ILE 104 98.669 -0.074 8.965 725 1HD1 ILE 104 1HD1 ILE 104 98.650 -2.952 7.713 726 2HD1 ILE 104 2HD1 ILE 104 98.523 -3.599 9.348 727 3HD1 ILE 104 3HD1 ILE 104 97.819 -4.482 7.994 728 H CYS 105 H CYS 105 95.936 1.296 6.933 729 HA CYS 105 HA CYS 105 97.236 3.359 8.445 730 1HB CYS 105 1HB CYS 105 97.006 2.900 5.887 731 2HB CYS 105 2HB CYS 105 95.500 3.806 6.019 732 H PHE 106 H PHE 106 93.825 2.950 7.437 733 HA PHE 106 HA PHE 106 92.716 5.276 8.544 734 1HB PHE 106 1HB PHE 106 91.622 2.444 8.450 735 2HB PHE 106 2HB PHE 106 90.649 3.902 8.623 736 HD1 PHE 106 HD1 PHE 106 92.603 5.516 6.701 737 HD2 PHE 106 HD2 PHE 106 90.443 1.818 6.378 738 HE1 PHE 106 HE1 PHE 106 92.538 5.767 4.236 739 HE2 PHE 106 HE2 PHE 106 90.383 2.069 3.912 740 HZ PHE 106 HZ PHE 106 91.431 4.044 2.841 741 H SER 107 H SER 107 93.497 2.174 10.054 742 HA SER 107 HA SER 107 92.454 2.930 12.683 743 1HB SER 107 1HB SER 107 93.105 0.713 13.249 744 2HB SER 107 2HB SER 107 92.638 0.616 11.553 745 HG SER 107 HG SER 107 94.922 0.971 11.096 746 H LYS 108 H LYS 108 95.329 3.592 10.971 747 HA LYS 108 HA LYS 108 96.937 3.877 13.471 748 1HB LYS 108 1HB LYS 108 97.516 3.779 10.507 749 2HB LYS 108 2HB LYS 108 98.741 4.301 11.662 750 1HG LYS 108 1HG LYS 108 97.248 1.672 11.858 751 2HG LYS 108 2HG LYS 108 98.844 1.846 11.128 752 1HD LYS 108 1HD LYS 108 99.840 1.856 13.148 753 2HD LYS 108 2HD LYS 108 98.769 3.134 13.722 754 1HE LYS 108 1HE LYS 108 96.987 1.245 13.950 755 2HE LYS 108 2HE LYS 108 98.378 0.146 13.879 756 1HZ LYS 108 1HZ LYS 108 98.281 2.515 15.661 757 2HZ LYS 108 2HZ LYS 108 97.786 0.973 16.164 758 3HZ LYS 108 3HZ LYS 108 99.396 1.234 15.693 759 H VAL 109 H VAL 109 95.264 5.706 11.027 760 HA VAL 109 HA VAL 109 96.519 8.240 12.017 761 HB VAL 109 HB VAL 109 95.832 9.150 9.871 762 1HG1 VAL 109 1HG1 VAL 109 97.110 6.417 9.793 763 2HG1 VAL 109 2HG1 VAL 109 96.893 7.368 8.323 764 3HG1 VAL 109 3HG1 VAL 109 97.882 7.996 9.642 765 1HG2 VAL 109 1HG2 VAL 109 94.298 6.551 9.674 766 2HG2 VAL 109 2HG2 VAL 109 93.675 8.196 9.544 767 3HG2 VAL 109 3HG2 VAL 109 94.667 7.524 8.250 768 HA PRO 110 HA PRO 110 92.707 9.467 13.805 769 1HB PRO 110 1HB PRO 110 92.695 12.157 13.301 770 2HB PRO 110 2HB PRO 110 93.770 11.403 14.494 771 1HG PRO 110 1HG PRO 110 94.360 12.311 11.724 772 2HG PRO 110 2HG PRO 110 95.365 12.395 13.179 773 1HD PRO 110 1HD PRO 110 95.687 10.523 11.210 774 2HD PRO 110 2HD PRO 110 96.166 10.274 12.903 775 H TYR 111 H TYR 111 90.782 11.226 13.096 776 HA TYR 111 HA TYR 111 90.176 10.904 10.203 777 1HB TYR 111 1HB TYR 111 89.285 8.882 11.036 778 2HB TYR 111 2HB TYR 111 88.751 9.632 12.539 779 HD1 TYR 111 HD1 TYR 111 88.269 10.378 8.883 780 HD2 TYR 111 HD2 TYR 111 86.437 9.732 12.715 781 HE1 TYR 111 HE1 TYR 111 86.036 10.800 7.888 782 HE2 TYR 111 HE2 TYR 111 84.206 10.153 11.720 783 HH TYR 111 HH TYR 111 83.453 9.937 8.738 784 H ASN 112 H ASN 112 89.708 13.014 9.685 785 HA ASN 112 HA ASN 112 88.238 14.712 11.647 786 1HB ASN 112 1HB ASN 112 89.789 15.221 9.093 787 2HB ASN 112 2HB ASN 112 88.931 16.493 9.963 788 1HD2 ASN 112 2HD2 ASN 112 91.626 14.173 10.229 789 2HD2 ASN 112 1HD2 ASN 112 92.392 14.959 11.524 790 H LYS 113 H LYS 113 86.049 14.892 11.378 791 HA LYS 113 HA LYS 113 84.729 13.885 8.972 792 1HB LYS 113 1HB LYS 113 82.740 14.286 10.251 793 2HB LYS 113 2HB LYS 113 83.961 13.755 11.406 794 1HG LYS 113 1HG LYS 113 84.397 16.040 12.085 795 2HG LYS 113 2HG LYS 113 83.339 16.662 10.818 796 1HD LYS 113 1HD LYS 113 81.608 14.999 12.050 797 2HD LYS 113 2HD LYS 113 82.638 15.407 13.423 798 1HE LYS 113 1HE LYS 113 82.240 17.780 13.106 799 2HE LYS 113 2HE LYS 113 81.369 17.473 11.591 800 1HZ LYS 113 1HZ LYS 113 80.429 15.900 13.812 801 2HZ LYS 113 2HZ LYS 113 80.218 17.570 14.040 802 3HZ LYS 113 3HZ LYS 113 79.548 16.804 12.679 803 H GLU 114 H GLU 114 86.140 16.863 9.795 804 HA GLU 114 HA GLU 114 84.287 18.666 8.547 805 1HB GLU 114 1HB GLU 114 87.271 18.958 8.962 806 2HB GLU 114 2HB GLU 114 86.083 20.257 8.859 807 1HG GLU 114 1HG GLU 114 84.953 19.166 10.892 808 2HG GLU 114 2HG GLU 114 86.437 18.227 11.068 809 H HIS 115 H HIS 115 87.002 16.743 7.386 810 HA HIS 115 HA HIS 115 87.032 18.062 4.751 811 1HB HIS 115 1HB HIS 115 88.486 15.828 6.149 812 2HB HIS 115 2HB HIS 115 88.675 16.048 4.411 813 HD1 HIS 115 HD1 HIS 115 90.999 17.048 4.315 814 HD2 HIS 115 HD2 HIS 115 88.533 19.028 7.031 815 HE1 HIS 115 HE1 HIS 115 92.275 19.099 5.079 816 H LYS 116 H LYS 116 84.881 16.003 6.131 817 HA LYS 116 HA LYS 116 84.629 13.859 4.250 818 1HB LYS 116 1HB LYS 116 83.658 14.428 6.655 819 2HB LYS 116 2HB LYS 116 82.319 15.084 5.713 820 1HG LYS 116 1HG LYS 116 82.902 12.628 4.507 821 2HG LYS 116 2HG LYS 116 83.006 12.315 6.240 822 1HD LYS 116 1HD LYS 116 80.748 13.957 5.926 823 2HD LYS 116 2HD LYS 116 80.654 12.785 4.612 824 1HE LYS 116 1HE LYS 116 81.042 10.953 6.305 825 2HE LYS 116 2HE LYS 116 80.899 12.182 7.577 826 1HZ LYS 116 1HZ LYS 116 78.858 12.252 5.514 827 2HZ LYS 116 2HZ LYS 116 78.799 10.902 6.543 828 3HZ LYS 116 3HZ LYS 116 78.712 12.470 7.189 829 H ASN 117 H ASN 117 83.347 13.716 2.378 830 HA ASN 117 HA ASN 117 82.474 14.598 0.352 831 1HB ASN 117 1HB ASN 117 80.760 16.085 2.360 832 2HB ASN 117 2HB ASN 117 80.277 15.484 0.772 833 1HD2 ASN 117 2HD2 ASN 117 78.818 14.667 3.055 834 2HD2 ASN 117 1HD2 ASN 117 79.119 13.024 3.351 835 H LEU 118 H LEU 118 84.763 16.007 0.798 836 HA LEU 118 HA LEU 118 84.323 18.841 1.037 837 1HB LEU 118 1HB LEU 118 86.346 18.054 1.876 838 2HB LEU 118 2HB LEU 118 86.495 16.855 0.611 839 HG LEU 118 HG LEU 118 86.869 18.759 -0.995 840 1HD1 LEU 118 1HD1 LEU 118 86.176 20.311 1.198 841 2HD1 LEU 118 2HD1 LEU 118 87.935 20.441 1.167 842 3HD1 LEU 118 3HD1 LEU 118 86.991 20.911 -0.246 843 1HD2 LEU 118 1HD2 LEU 118 88.866 18.287 1.232 844 2HD2 LEU 118 2HD2 LEU 118 88.672 17.292 -0.211 845 3HD2 LEU 118 3HD2 LEU 118 89.257 18.950 -0.355 846 H ASP 119 H ASP 119 85.282 20.212 -0.818 847 HA ASP 119 HA ASP 119 83.932 19.484 -3.333 848 1HB ASP 119 1HB ASP 119 83.998 21.758 -2.078 849 2HB ASP 119 2HB ASP 119 85.607 21.933 -2.780 850 H LYS 120 H LYS 120 85.032 18.354 -4.876 851 HA LYS 120 HA LYS 120 87.707 17.596 -4.875 852 1HB LYS 120 1HB LYS 120 85.698 18.107 -7.072 853 2HB LYS 120 2HB LYS 120 87.277 17.397 -7.408 854 1HG LYS 120 1HG LYS 120 86.706 15.701 -5.549 855 2HG LYS 120 2HG LYS 120 85.047 16.278 -5.710 856 1HD LYS 120 1HD LYS 120 85.636 15.889 -8.317 857 2HD LYS 120 2HD LYS 120 86.679 14.663 -7.596 858 1HE LYS 120 1HE LYS 120 83.752 14.931 -6.849 859 2HE LYS 120 2HE LYS 120 84.315 13.870 -8.157 860 1HZ LYS 120 1HZ LYS 120 86.069 13.293 -6.231 861 2HZ LYS 120 2HZ LYS 120 84.699 13.628 -5.288 862 3HZ LYS 120 3HZ LYS 120 84.634 12.419 -6.480 863 H LYS 121 H LYS 121 86.380 20.713 -5.682 864 HA LYS 121 HA LYS 121 88.430 21.724 -7.392 865 1HB LYS 121 1HB LYS 121 86.189 22.660 -5.770 866 2HB LYS 121 2HB LYS 121 87.504 23.836 -5.826 867 1HG LYS 121 1HG LYS 121 86.465 22.483 -8.313 868 2HG LYS 121 2HG LYS 121 85.760 23.979 -7.701 869 1HD LYS 121 1HD LYS 121 88.522 24.430 -7.642 870 2HD LYS 121 2HD LYS 121 88.243 23.584 -9.165 871 1HE LYS 121 1HE LYS 121 87.788 25.747 -9.870 872 2HE LYS 121 2HE LYS 121 86.175 25.325 -9.260 873 1HZ LYS 121 1HZ LYS 121 87.010 26.090 -7.027 874 2HZ LYS 121 2HZ LYS 121 88.339 26.766 -7.834 875 3HZ LYS 121 3HZ LYS 121 86.769 27.319 -8.175 876 H ASN 122 H ASN 122 88.487 20.873 -4.123 877 HA ASN 122 HA ASN 122 90.848 22.589 -3.498 878 1HB ASN 122 1HB ASN 122 88.764 21.024 -2.033 879 2HB ASN 122 2HB ASN 122 90.339 21.190 -1.268 880 1HD2 ASN 122 2HD2 ASN 122 87.353 22.789 -1.864 881 2HD2 ASN 122 1HD2 ASN 122 87.799 24.327 -1.298 882 H CYS 123 H CYS 123 89.970 19.605 -4.700 883 HA CYS 123 HA CYS 123 92.267 18.084 -3.628 884 1HB CYS 123 1HB CYS 123 89.703 17.630 -5.087 885 2HB CYS 123 2HB CYS 123 90.972 16.437 -5.293 Start of MODEL 12 1 1H ALA 1 1H ALA 1 86.546 -8.053 -3.066 2 2H ALA 1 2H ALA 1 87.258 -9.123 -4.171 3 3H ALA 1 3H ALA 1 88.122 -8.625 -2.795 4 HA ALA 1 HA ALA 1 89.066 -7.218 -4.306 5 1HB ALA 1 1HB ALA 1 86.376 -7.550 -5.652 6 2HB ALA 1 2HB ALA 1 87.588 -6.419 -6.253 7 3HB ALA 1 3HB ALA 1 87.943 -8.146 -6.199 8 H LEU 2 H LEU 2 85.750 -5.981 -4.564 9 HA LEU 2 HA LEU 2 86.597 -3.456 -3.287 10 1HB LEU 2 1HB LEU 2 84.830 -4.269 -5.306 11 2HB LEU 2 2HB LEU 2 83.783 -3.732 -3.992 12 HG LEU 2 HG LEU 2 86.150 -2.047 -4.728 13 1HD1 LEU 2 1HD1 LEU 2 84.923 -2.648 -6.855 14 2HD1 LEU 2 2HD1 LEU 2 83.483 -1.905 -6.160 15 3HD1 LEU 2 3HD1 LEU 2 84.916 -0.926 -6.475 16 1HD2 LEU 2 1HD2 LEU 2 84.295 -1.799 -2.805 17 2HD2 LEU 2 2HD2 LEU 2 84.983 -0.393 -3.617 18 3HD2 LEU 2 3HD2 LEU 2 83.413 -1.020 -4.119 19 H TRP 3 H TRP 3 83.656 -5.468 -2.876 20 HA TRP 3 HA TRP 3 82.916 -4.495 -0.337 21 1HB TRP 3 1HB TRP 3 81.471 -6.397 -0.304 22 2HB TRP 3 2HB TRP 3 81.703 -6.022 -2.011 23 HD1 TRP 3 HD1 TRP 3 83.474 -7.570 -3.369 24 HE1 TRP 3 HE1 TRP 3 84.158 -10.029 -3.000 25 HE3 TRP 3 HE3 TRP 3 81.831 -8.239 1.420 26 HZ2 TRP 3 HZ2 TRP 3 84.025 -12.015 -0.952 27 HZ3 TRP 3 HZ3 TRP 3 82.123 -10.424 2.555 28 HH2 TRP 3 HH2 TRP 3 83.217 -12.310 1.374 29 H GLN 4 H GLN 4 85.369 -6.869 -1.199 30 HA GLN 4 HA GLN 4 85.712 -8.021 1.426 31 1HB GLN 4 1HB GLN 4 87.310 -7.807 -1.122 32 2HB GLN 4 2HB GLN 4 88.007 -8.573 0.307 33 1HG GLN 4 1HG GLN 4 85.570 -9.774 0.253 34 2HG GLN 4 2HG GLN 4 85.836 -9.520 -1.472 35 1HE2 GLN 4 2HE2 GLN 4 85.860 -12.149 -0.270 36 2HE2 GLN 4 1HE2 GLN 4 87.433 -12.769 -0.409 37 H PHE 5 H PHE 5 87.115 -5.210 -0.222 38 HA PHE 5 HA PHE 5 89.211 -4.666 1.656 39 1HB PHE 5 1HB PHE 5 89.182 -3.663 -0.530 40 2HB PHE 5 2HB PHE 5 87.579 -2.978 -0.260 41 HD1 PHE 5 HD1 PHE 5 89.918 -2.980 2.534 42 HD2 PHE 5 HD2 PHE 5 88.514 -0.727 -0.844 43 HE1 PHE 5 HE1 PHE 5 90.949 -0.929 3.472 44 HE2 PHE 5 HE2 PHE 5 89.546 1.322 0.094 45 HZ PHE 5 HZ PHE 5 90.763 1.223 2.253 46 H ASN 6 H ASN 6 85.887 -3.341 1.402 47 HA ASN 6 HA ASN 6 85.955 -1.632 3.656 48 1HB ASN 6 1HB ASN 6 83.972 -3.034 1.970 49 2HB ASN 6 2HB ASN 6 83.384 -2.588 3.573 50 1HD2 ASN 6 2HD2 ASN 6 82.739 -0.437 3.840 51 2HD2 ASN 6 1HD2 ASN 6 83.101 0.820 2.759 52 H GLY 7 H GLY 7 85.108 -5.100 3.457 53 1HA GLY 7 1HA GLY 7 84.286 -5.581 6.079 54 2HA GLY 7 2HA GLY 7 85.205 -6.753 5.132 55 H MET 8 H MET 8 87.660 -5.651 4.877 56 HA MET 8 HA MET 8 88.996 -6.170 7.291 57 1HB MET 8 1HB MET 8 89.630 -4.431 4.895 58 2HB MET 8 2HB MET 8 90.813 -4.743 6.166 59 1HG MET 8 1HG MET 8 90.479 -7.201 5.797 60 2HG MET 8 2HG MET 8 89.439 -6.811 4.427 61 1HE MET 8 1HE MET 8 91.847 -8.660 4.348 62 2HE MET 8 2HE MET 8 91.041 -8.288 2.827 63 3HE MET 8 3HE MET 8 92.804 -8.185 2.947 64 H ILE 9 H ILE 9 88.170 -2.945 5.955 65 HA ILE 9 HA ILE 9 89.101 -1.254 7.936 66 HB ILE 9 HB ILE 9 86.490 -1.277 6.397 67 1HG1 ILE 9 1HG1 ILE 9 89.077 0.266 6.007 68 2HG1 ILE 9 2HG1 ILE 9 88.621 -1.179 5.103 69 1HG2 ILE 9 1HG2 ILE 9 87.687 0.788 8.238 70 2HG2 ILE 9 2HG2 ILE 9 86.661 1.274 6.888 71 3HG2 ILE 9 3HG2 ILE 9 86.019 0.222 8.151 72 1HD1 ILE 9 1HD1 ILE 9 86.407 0.208 4.647 73 2HD1 ILE 9 2HD1 ILE 9 87.466 1.580 4.971 74 3HD1 ILE 9 3HD1 ILE 9 87.846 0.463 3.660 75 H LYS 10 H LYS 10 86.278 -3.385 8.112 76 HA LYS 10 HA LYS 10 85.302 -2.297 10.635 77 1HB LYS 10 1HB LYS 10 84.730 -4.596 8.800 78 2HB LYS 10 2HB LYS 10 84.070 -4.648 10.435 79 1HG LYS 10 1HG LYS 10 83.110 -2.359 10.054 80 2HG LYS 10 2HG LYS 10 83.646 -2.464 8.377 81 1HD LYS 10 1HD LYS 10 81.728 -3.538 7.893 82 2HD LYS 10 2HD LYS 10 82.279 -4.877 8.901 83 1HE LYS 10 1HE LYS 10 81.275 -2.711 10.558 84 2HE LYS 10 2HE LYS 10 80.045 -3.247 9.396 85 1HZ LYS 10 1HZ LYS 10 81.700 -5.238 10.794 86 2HZ LYS 10 2HZ LYS 10 80.363 -4.559 11.595 87 3HZ LYS 10 3HZ LYS 10 80.144 -5.409 10.140 88 H CYS 11 H CYS 11 87.310 -5.083 9.677 89 HA CYS 11 HA CYS 11 87.471 -6.403 12.165 90 1HB CYS 11 1HB CYS 11 88.302 -7.207 9.957 91 2HB CYS 11 2HB CYS 11 89.594 -6.014 10.034 92 H LYS 12 H LYS 12 89.530 -3.859 10.781 93 HA LYS 12 HA LYS 12 91.165 -3.541 13.165 94 1HB LYS 12 1HB LYS 12 90.647 -1.895 10.670 95 2HB LYS 12 2HB LYS 12 91.846 -1.444 11.882 96 1HG LYS 12 1HG LYS 12 92.098 -4.243 11.116 97 2HG LYS 12 2HG LYS 12 92.255 -3.169 9.725 98 1HD LYS 12 1HD LYS 12 94.455 -3.437 10.679 99 2HD LYS 12 2HD LYS 12 93.902 -1.809 11.072 100 1HE LYS 12 1HE LYS 12 93.075 -2.743 13.295 101 2HE LYS 12 2HE LYS 12 93.963 -4.227 12.898 102 1HZ LYS 12 1HZ LYS 12 95.258 -1.588 12.646 103 2HZ LYS 12 2HZ LYS 12 95.202 -2.371 14.153 104 3HZ LYS 12 3HZ LYS 12 95.978 -3.115 12.842 105 H ILE 13 H ILE 13 88.151 -2.174 11.995 106 HA ILE 13 HA ILE 13 87.878 -0.675 14.563 107 HB ILE 13 HB ILE 13 87.178 0.464 11.844 108 1HG1 ILE 13 1HG1 ILE 13 89.696 0.892 13.486 109 2HG1 ILE 13 2HG1 ILE 13 89.610 0.039 11.945 110 1HG2 ILE 13 1HG2 ILE 13 87.375 1.534 14.658 111 2HG2 ILE 13 2HG2 ILE 13 87.449 2.610 13.262 112 3HG2 ILE 13 3HG2 ILE 13 86.012 1.626 13.542 113 1HD1 ILE 13 1HD1 ILE 13 88.453 2.777 12.009 114 2HD1 ILE 13 2HD1 ILE 13 90.210 2.662 12.112 115 3HD1 ILE 13 3HD1 ILE 13 89.359 1.970 10.731 116 HA PRO 14 HA PRO 14 84.121 -3.096 13.397 117 1HB PRO 14 1HB PRO 14 83.781 -4.245 15.856 118 2HB PRO 14 2HB PRO 14 84.822 -4.941 14.598 119 1HG PRO 14 1HG PRO 14 85.558 -3.375 17.012 120 2HG PRO 14 2HG PRO 14 86.396 -4.732 16.247 121 1HD PRO 14 1HD PRO 14 87.136 -2.101 15.969 122 2HD PRO 14 2HD PRO 14 87.522 -3.378 14.797 123 H SER 15 H SER 15 84.885 -1.151 16.263 124 HA SER 15 HA SER 15 82.164 -0.646 17.070 125 1HB SER 15 1HB SER 15 83.205 0.925 18.548 126 2HB SER 15 2HB SER 15 84.367 -0.385 18.353 127 HG SER 15 HG SER 15 84.325 2.136 17.050 128 H SER 16 H SER 16 83.980 0.451 14.390 129 HA SER 16 HA SER 16 82.032 2.696 13.971 130 1HB SER 16 1HB SER 16 84.765 2.859 14.429 131 2HB SER 16 2HB SER 16 84.651 2.948 12.674 132 HG SER 16 HG SER 16 82.857 4.439 14.218 133 H GLU 17 H GLU 17 81.432 3.037 11.737 134 HA GLU 17 HA GLU 17 82.011 0.691 9.960 135 1HB GLU 17 1HB GLU 17 79.605 2.483 10.368 136 2HB GLU 17 2HB GLU 17 79.742 1.388 8.992 137 1HG GLU 17 1HG GLU 17 78.699 -0.054 10.444 138 2HG GLU 17 2HG GLU 17 80.361 -0.338 10.962 139 HA PRO 18 HA PRO 18 83.824 3.613 7.196 140 1HB PRO 18 1HB PRO 18 83.715 2.118 4.906 141 2HB PRO 18 2HB PRO 18 84.880 1.808 6.209 142 1HG PRO 18 1HG PRO 18 82.332 0.410 5.575 143 2HG PRO 18 2HG PRO 18 83.870 -0.251 6.149 144 1HD PRO 18 1HD PRO 18 81.702 0.159 7.759 145 2HD PRO 18 2HD PRO 18 83.381 0.169 8.342 146 H LEU 19 H LEU 19 80.861 1.926 6.115 147 HA LEU 19 HA LEU 19 80.098 3.812 4.101 148 1HB LEU 19 1HB LEU 19 78.437 1.999 5.884 149 2HB LEU 19 2HB LEU 19 77.903 2.697 4.355 150 HG LEU 19 HG LEU 19 80.394 1.460 3.834 151 1HD1 LEU 19 1HD1 LEU 19 78.537 -0.197 5.557 152 2HD1 LEU 19 2HD1 LEU 19 79.732 -0.920 4.479 153 3HD1 LEU 19 3HD1 LEU 19 80.254 0.115 5.809 154 1HD2 LEU 19 1HD2 LEU 19 78.408 1.725 2.326 155 2HD2 LEU 19 2HD2 LEU 19 79.050 0.082 2.336 156 3HD2 LEU 19 3HD2 LEU 19 77.588 0.462 3.244 157 H LEU 20 H LEU 20 79.689 3.774 7.601 158 HA LEU 20 HA LEU 20 77.939 6.186 7.483 159 1HB LEU 20 1HB LEU 20 78.812 4.335 9.726 160 2HB LEU 20 2HB LEU 20 77.653 5.654 9.905 161 HG LEU 20 HG LEU 20 77.236 3.534 7.807 162 1HD1 LEU 20 1HD1 LEU 20 77.578 2.666 10.281 163 2HD1 LEU 20 2HD1 LEU 20 75.955 3.319 10.512 164 3HD1 LEU 20 3HD1 LEU 20 76.236 2.061 9.308 165 1HD2 LEU 20 1HD2 LEU 20 75.671 5.686 9.159 166 2HD2 LEU 20 2HD2 LEU 20 75.647 5.173 7.472 167 3HD2 LEU 20 3HD2 LEU 20 74.801 4.224 8.696 168 H ASP 21 H ASP 21 81.197 5.517 7.550 169 HA ASP 21 HA ASP 21 81.785 8.113 8.920 170 1HB ASP 21 1HB ASP 21 82.171 5.722 10.107 171 2HB ASP 21 2HB ASP 21 83.684 5.832 9.207 172 H PHE 22 H PHE 22 83.681 5.526 7.328 173 HA PHE 22 HA PHE 22 85.176 7.554 5.789 174 1HB PHE 22 1HB PHE 22 85.373 4.534 5.683 175 2HB PHE 22 2HB PHE 22 86.633 5.712 5.315 176 HD1 PHE 22 HD1 PHE 22 86.845 7.538 7.401 177 HD2 PHE 22 HD2 PHE 22 85.709 3.405 7.685 178 HE1 PHE 22 HE1 PHE 22 87.572 7.501 9.771 179 HE2 PHE 22 HE2 PHE 22 86.436 3.369 10.056 180 HZ PHE 22 HZ PHE 22 87.368 5.416 11.099 181 H ASN 23 H ASN 23 82.432 7.460 5.048 182 HA ASN 23 HA ASN 23 82.279 5.829 2.577 183 1HB ASN 23 1HB ASN 23 79.937 6.662 2.601 184 2HB ASN 23 2HB ASN 23 80.386 5.949 4.149 185 1HD2 ASN 23 2HD2 ASN 23 79.544 8.960 2.535 186 2HD2 ASN 23 1HD2 ASN 23 79.505 9.918 3.936 187 H ASN 24 H ASN 24 83.424 6.783 0.910 188 HA ASN 24 HA ASN 24 84.085 8.420 -0.660 189 1HB ASN 24 1HB ASN 24 81.633 8.245 -1.021 190 2HB ASN 24 2HB ASN 24 81.379 9.512 0.179 191 1HD2 ASN 24 2HD2 ASN 24 80.616 11.180 -1.217 192 2HD2 ASN 24 1HD2 ASN 24 81.546 11.837 -2.475 193 H TYR 25 H TYR 25 85.794 9.198 0.827 194 HA TYR 25 HA TYR 25 85.197 11.947 1.864 195 1HB TYR 25 1HB TYR 25 85.311 10.733 3.844 196 2HB TYR 25 2HB TYR 25 86.387 9.521 3.157 197 HD1 TYR 25 HD1 TYR 25 88.815 10.062 2.810 198 HD2 TYR 25 HD2 TYR 25 86.166 12.677 4.955 199 HE1 TYR 25 HE1 TYR 25 90.767 11.230 3.796 200 HE2 TYR 25 HE2 TYR 25 88.118 13.843 5.943 201 HH TYR 25 HH TYR 25 91.280 13.444 4.778 202 H GLY 26 H GLY 26 87.381 13.150 2.212 203 1HA GLY 26 1HA GLY 26 89.201 14.110 1.047 204 2HA GLY 26 2HA GLY 26 89.845 12.473 1.172 205 H CYS 27 H CYS 27 90.844 13.125 -0.945 206 HA CYS 27 HA CYS 27 88.973 13.111 -3.255 207 1HB CYS 27 1HB CYS 27 91.858 13.769 -2.731 208 2HB CYS 27 2HB CYS 27 91.335 13.444 -4.383 209 H TYR 28 H TYR 28 91.039 10.955 -1.502 210 HA TYR 28 HA TYR 28 91.138 9.056 -3.811 211 1HB TYR 28 1HB TYR 28 92.643 9.294 -1.191 212 2HB TYR 28 2HB TYR 28 92.855 7.946 -2.310 213 HD1 TYR 28 HD1 TYR 28 93.603 8.421 -4.686 214 HD2 TYR 28 HD2 TYR 28 93.681 11.396 -1.588 215 HE1 TYR 28 HE1 TYR 28 95.169 9.789 -6.039 216 HE2 TYR 28 HE2 TYR 28 95.246 12.763 -2.940 217 HH TYR 28 HH TYR 28 95.939 12.024 -6.253 218 H CYS 29 H CYS 29 89.885 9.471 -0.541 219 HA CYS 29 HA CYS 29 89.074 6.676 -0.239 220 1HB CYS 29 1HB CYS 29 88.281 9.206 1.238 221 2HB CYS 29 2HB CYS 29 88.026 7.559 1.810 222 H GLY 30 H GLY 30 87.946 6.875 -2.519 223 1HA GLY 30 1HA GLY 30 85.091 6.986 -2.051 224 2HA GLY 30 2HA GLY 30 85.637 8.355 -3.021 225 H LEU 31 H LEU 31 86.068 8.019 -5.184 226 HA LEU 31 HA LEU 31 85.966 5.181 -6.161 227 1HB LEU 31 1HB LEU 31 84.086 7.185 -6.476 228 2HB LEU 31 2HB LEU 31 85.015 7.295 -7.971 229 HG LEU 31 HG LEU 31 84.657 4.542 -7.525 230 1HD1 LEU 31 1HD1 LEU 31 82.330 6.186 -6.631 231 2HD1 LEU 31 2HD1 LEU 31 81.990 4.759 -7.609 232 3HD1 LEU 31 3HD1 LEU 31 82.857 4.595 -6.082 233 1HD2 LEU 31 1HD2 LEU 31 84.370 6.392 -9.563 234 2HD2 LEU 31 2HD2 LEU 31 84.015 4.669 -9.697 235 3HD2 LEU 31 3HD2 LEU 31 82.720 5.810 -9.334 236 H GLY 32 H GLY 32 87.735 8.086 -6.045 237 1HA GLY 32 1HA GLY 32 89.793 7.028 -7.798 238 2HA GLY 32 2HA GLY 32 88.938 8.384 -8.535 239 H GLY 33 H GLY 33 90.890 9.665 -8.426 240 1HA GLY 33 1HA GLY 33 91.075 11.423 -6.235 241 2HA GLY 33 2HA GLY 33 92.289 10.171 -5.966 242 H SER 34 H SER 34 92.557 13.097 -6.700 243 HA SER 34 HA SER 34 94.738 12.778 -8.597 244 1HB SER 34 1HB SER 34 92.001 13.415 -9.486 245 2HB SER 34 2HB SER 34 93.225 14.525 -10.094 246 HG SER 34 HG SER 34 94.186 12.912 -11.146 247 H GLY 35 H GLY 35 96.058 14.112 -7.361 248 1HA GLY 35 1HA GLY 35 96.685 16.565 -7.331 249 2HA GLY 35 2HA GLY 35 95.030 16.865 -6.795 250 H THR 36 H THR 36 96.984 17.827 -5.188 251 HA THR 36 HA THR 36 98.172 16.239 -3.215 252 HB THR 36 HB THR 36 96.805 18.942 -3.096 253 HG1 THR 36 HG1 THR 36 99.520 18.779 -2.927 254 1HG2 THR 36 1HG2 THR 36 97.181 17.686 -0.847 255 2HG2 THR 36 2HG2 THR 36 98.892 17.996 -1.143 256 3HG2 THR 36 3HG2 THR 36 97.765 19.344 -0.990 257 HA PRO 37 HA PRO 37 94.771 14.428 -1.071 258 1HB PRO 37 1HB PRO 37 96.010 13.895 1.312 259 2HB PRO 37 2HB PRO 37 96.301 12.950 -0.162 260 1HG PRO 37 1HG PRO 37 97.949 15.104 1.061 261 2HG PRO 37 2HG PRO 37 98.458 13.608 0.262 262 1HD PRO 37 1HD PRO 37 98.524 16.058 -0.939 263 2HD PRO 37 2HD PRO 37 98.338 14.531 -1.829 264 H VAL 38 H VAL 38 93.657 14.728 1.201 265 HA VAL 38 HA VAL 38 93.652 17.660 1.812 266 HB VAL 38 HB VAL 38 91.314 17.283 2.408 267 1HG1 VAL 38 1HG1 VAL 38 92.456 16.634 -0.180 268 2HG1 VAL 38 2HG1 VAL 38 90.940 15.767 0.070 269 3HG1 VAL 38 3HG1 VAL 38 90.980 17.526 0.191 270 1HG2 VAL 38 1HG2 VAL 38 91.648 15.042 3.432 271 2HG2 VAL 38 2HG2 VAL 38 90.327 15.036 2.264 272 3HG2 VAL 38 3HG2 VAL 38 91.896 14.361 1.824 273 H ASP 39 H ASP 39 93.893 14.439 3.234 274 HA ASP 39 HA ASP 39 94.875 15.633 5.751 275 1HB ASP 39 1HB ASP 39 92.209 15.290 5.510 276 2HB ASP 39 2HB ASP 39 92.651 13.675 6.064 277 H ASP 40 H ASP 40 94.942 13.469 7.371 278 HA ASP 40 HA ASP 40 96.964 11.775 6.187 279 1HB ASP 40 1HB ASP 40 95.341 11.616 8.749 280 2HB ASP 40 2HB ASP 40 96.772 10.639 8.412 281 H LEU 41 H LEU 41 93.531 11.251 7.061 282 HA LEU 41 HA LEU 41 93.402 8.475 6.431 283 1HB LEU 41 1HB LEU 41 91.726 10.074 7.586 284 2HB LEU 41 2HB LEU 41 91.196 10.484 5.954 285 HG LEU 41 HG LEU 41 90.746 8.099 5.499 286 1HD1 LEU 41 1HD1 LEU 41 91.725 7.803 8.346 287 2HD1 LEU 41 2HD1 LEU 41 90.747 6.571 7.549 288 3HD1 LEU 41 3HD1 LEU 41 92.332 6.992 6.902 289 1HD2 LEU 41 1HD2 LEU 41 89.186 9.808 6.894 290 2HD2 LEU 41 2HD2 LEU 41 88.680 8.165 6.499 291 3HD2 LEU 41 3HD2 LEU 41 89.347 8.523 8.092 292 H ASP 42 H ASP 42 92.820 11.353 4.392 293 HA ASP 42 HA ASP 42 92.081 9.993 2.003 294 1HB ASP 42 1HB ASP 42 91.875 12.431 2.485 295 2HB ASP 42 2HB ASP 42 93.630 12.580 2.387 296 H ARG 43 H ARG 43 95.264 10.856 3.338 297 HA ARG 43 HA ARG 43 96.915 10.184 1.139 298 1HB ARG 43 1HB ARG 43 97.144 10.190 4.136 299 2HB ARG 43 2HB ARG 43 98.482 9.567 3.173 300 1HG ARG 43 1HG ARG 43 97.546 12.022 2.010 301 2HG ARG 43 2HG ARG 43 97.873 12.277 3.724 302 1HD ARG 43 1HD ARG 43 99.867 12.601 2.171 303 2HD ARG 43 2HD ARG 43 100.137 11.451 3.486 304 HE ARG 43 HE ARG 43 99.106 9.916 1.439 305 1HH1 ARG 43 1HH1 ARG 43 100.504 12.099 -0.216 306 2HH1 ARG 43 2HH1 ARG 43 102.032 11.340 -0.515 307 1HH2 ARG 43 1HH2 ARG 43 101.603 8.916 1.929 308 2HH2 ARG 43 2HH2 ARG 43 102.654 9.536 0.699 309 H CYS 44 H CYS 44 95.445 8.147 3.639 310 HA CYS 44 HA CYS 44 96.794 5.725 3.064 311 1HB CYS 44 1HB CYS 44 93.920 6.112 3.948 312 2HB CYS 44 2HB CYS 44 94.956 4.732 4.304 313 H CYS 45 H CYS 45 93.752 7.066 1.795 314 HA CYS 45 HA CYS 45 93.131 4.885 0.030 315 1HB CYS 45 1HB CYS 45 92.438 7.840 -0.011 316 2HB CYS 45 2HB CYS 45 91.623 6.608 -0.978 317 H GLN 46 H GLN 46 94.922 7.940 -0.467 318 HA GLN 46 HA GLN 46 95.339 7.773 -3.264 319 1HB GLN 46 1HB GLN 46 95.947 9.736 -2.014 320 2HB GLN 46 2HB GLN 46 97.004 8.806 -0.952 321 1HG GLN 46 1HG GLN 46 98.521 8.339 -2.807 322 2HG GLN 46 2HG GLN 46 97.440 9.163 -3.930 323 1HE2 GLN 46 2HE2 GLN 46 99.791 10.312 -4.052 324 2HE2 GLN 46 1HE2 GLN 46 99.910 11.710 -3.106 325 H THR 47 H THR 47 97.226 6.402 -0.576 326 HA THR 47 HA THR 47 99.208 5.112 -2.187 327 HB THR 47 HB THR 47 98.153 4.425 0.571 328 HG1 THR 47 HG1 THR 47 99.248 6.088 1.280 329 1HG2 THR 47 1HG2 THR 47 99.683 2.751 -0.456 330 2HG2 THR 47 2HG2 THR 47 100.891 4.019 -0.666 331 3HG2 THR 47 3HG2 THR 47 100.395 3.534 0.956 332 H HIS 48 H HIS 48 95.994 4.224 -1.087 333 HA HIS 48 HA HIS 48 96.089 1.404 -1.588 334 1HB HIS 48 1HB HIS 48 94.362 2.649 -0.291 335 2HB HIS 48 2HB HIS 48 93.806 3.400 -1.783 336 HD1 HIS 48 HD1 HIS 48 92.892 1.681 -3.662 337 HD2 HIS 48 HD2 HIS 48 93.259 0.140 0.194 338 HE1 HIS 48 HE1 HIS 48 91.518 -0.445 -3.607 339 H ASP 49 H ASP 49 94.868 4.099 -3.586 340 HA ASP 49 HA ASP 49 94.270 2.608 -5.913 341 1HB ASP 49 1HB ASP 49 94.997 5.452 -5.256 342 2HB ASP 49 2HB ASP 49 94.775 4.978 -6.939 343 H ASN 50 H ASN 50 97.242 4.314 -4.947 344 HA ASN 50 HA ASN 50 98.794 3.767 -7.253 345 1HB ASN 50 1HB ASN 50 99.228 4.484 -4.391 346 2HB ASN 50 2HB ASN 50 100.633 3.933 -5.304 347 1HD2 ASN 50 2HD2 ASN 50 100.617 6.597 -4.461 348 2HD2 ASN 50 1HD2 ASN 50 100.371 7.624 -5.790 349 H CYS 51 H CYS 51 98.000 1.804 -4.444 350 HA CYS 51 HA CYS 51 100.035 -0.222 -4.861 351 1HB CYS 51 1HB CYS 51 98.607 0.420 -2.780 352 2HB CYS 51 2HB CYS 51 97.366 -0.605 -3.502 353 H TYR 52 H TYR 52 96.607 0.107 -5.798 354 HA TYR 52 HA TYR 52 96.313 -2.492 -6.978 355 1HB TYR 52 1HB TYR 52 94.966 0.183 -7.095 356 2HB TYR 52 2HB TYR 52 94.517 -1.025 -8.299 357 HD1 TYR 52 HD1 TYR 52 95.337 -1.064 -4.633 358 HD2 TYR 52 HD2 TYR 52 92.608 -2.228 -7.738 359 HE1 TYR 52 HE1 TYR 52 93.917 -2.210 -2.953 360 HE2 TYR 52 HE2 TYR 52 91.187 -3.375 -6.060 361 HH TYR 52 HH TYR 52 90.938 -3.918 -3.926 362 H LYS 53 H LYS 53 97.756 0.490 -8.105 363 HA LYS 53 HA LYS 53 97.825 -0.294 -10.935 364 1HB LYS 53 1HB LYS 53 99.650 1.742 -9.675 365 2HB LYS 53 2HB LYS 53 98.830 1.808 -11.230 366 1HG LYS 53 1HG LYS 53 96.861 1.690 -9.139 367 2HG LYS 53 2HG LYS 53 98.005 2.979 -8.784 368 1HD LYS 53 1HD LYS 53 97.356 4.225 -10.579 369 2HD LYS 53 2HD LYS 53 97.132 2.809 -11.607 370 1HE LYS 53 1HE LYS 53 94.953 2.403 -10.787 371 2HE LYS 53 2HE LYS 53 95.223 3.390 -9.336 372 1HZ LYS 53 1HZ LYS 53 95.661 4.745 -11.860 373 2HZ LYS 53 2HZ LYS 53 94.046 4.315 -11.556 374 3HZ LYS 53 3HZ LYS 53 94.881 5.295 -10.454 375 H GLN 54 H GLN 54 100.191 0.120 -8.333 376 HA GLN 54 HA GLN 54 102.485 -0.902 -9.584 377 1HB GLN 54 1HB GLN 54 101.433 -0.982 -6.749 378 2HB GLN 54 2HB GLN 54 103.046 -1.570 -7.154 379 1HG GLN 54 1HG GLN 54 103.640 0.620 -8.081 380 2HG GLN 54 2HG GLN 54 102.013 1.217 -7.753 381 1HE2 GLN 54 2HE2 GLN 54 103.999 2.652 -6.533 382 2HE2 GLN 54 1HE2 GLN 54 104.088 2.294 -4.876 383 H ALA 55 H ALA 55 99.747 -2.584 -8.122 384 HA ALA 55 HA ALA 55 100.893 -5.243 -8.225 385 1HB ALA 55 1HB ALA 55 98.699 -4.011 -7.119 386 2HB ALA 55 2HB ALA 55 97.964 -4.916 -8.442 387 3HB ALA 55 3HB ALA 55 98.908 -5.760 -7.215 388 H LYS 56 H LYS 56 99.034 -3.236 -10.468 389 HA LYS 56 HA LYS 56 98.413 -5.305 -12.375 390 1HB LYS 56 1HB LYS 56 98.619 -2.294 -12.365 391 2HB LYS 56 2HB LYS 56 98.267 -3.157 -13.863 392 1HG LYS 56 1HG LYS 56 96.336 -4.254 -12.773 393 2HG LYS 56 2HG LYS 56 96.678 -3.366 -11.287 394 1HD LYS 56 1HD LYS 56 95.391 -1.696 -12.076 395 2HD LYS 56 2HD LYS 56 96.615 -1.419 -13.315 396 1HE LYS 56 1HE LYS 56 94.357 -3.434 -13.590 397 2HE LYS 56 2HE LYS 56 94.338 -1.805 -14.295 398 1HZ LYS 56 1HZ LYS 56 96.755 -2.629 -15.026 399 2HZ LYS 56 2HZ LYS 56 95.942 -4.120 -15.030 400 3HZ LYS 56 3HZ LYS 56 95.379 -2.839 -15.995 401 H LYS 57 H LYS 57 101.024 -2.855 -12.266 402 HA LYS 57 HA LYS 57 102.378 -3.614 -14.622 403 1HB LYS 57 1HB LYS 57 103.009 -2.232 -12.049 404 2HB LYS 57 2HB LYS 57 104.360 -2.668 -13.097 405 1HG LYS 57 1HG LYS 57 102.465 -1.585 -14.840 406 2HG LYS 57 2HG LYS 57 102.394 -0.544 -13.418 407 1HD LYS 57 1HD LYS 57 104.860 -1.251 -15.029 408 2HD LYS 57 2HD LYS 57 104.096 0.334 -14.898 409 1HE LYS 57 1HE LYS 57 104.563 0.276 -12.415 410 2HE LYS 57 2HE LYS 57 105.515 -1.197 -12.693 411 1HZ LYS 57 1HZ LYS 57 106.534 0.239 -14.595 412 2HZ LYS 57 2HZ LYS 57 106.014 1.541 -13.640 413 3HZ LYS 57 3HZ LYS 57 107.108 0.406 -13.005 414 H LEU 58 H LEU 58 102.491 -4.962 -11.358 415 HA LEU 58 HA LEU 58 104.804 -6.479 -11.338 416 1HB LEU 58 1HB LEU 58 102.132 -6.547 -10.167 417 2HB LEU 58 2HB LEU 58 102.825 -8.161 -10.316 418 HG LEU 58 HG LEU 58 104.485 -5.910 -9.212 419 1HD1 LEU 58 1HD1 LEU 58 102.044 -6.849 -8.066 420 2HD1 LEU 58 2HD1 LEU 58 103.372 -7.485 -7.096 421 3HD1 LEU 58 3HD1 LEU 58 103.223 -5.746 -7.357 422 1HD2 LEU 58 1HD2 LEU 58 105.420 -8.190 -9.838 423 2HD2 LEU 58 2HD2 LEU 58 105.686 -7.716 -8.159 424 3HD2 LEU 58 3HD2 LEU 58 104.414 -8.869 -8.560 425 H ASP 59 H ASP 59 105.514 -8.363 -12.364 426 HA ASP 59 HA ASP 59 104.396 -9.161 -14.863 427 1HB ASP 59 1HB ASP 59 106.741 -9.491 -13.708 428 2HB ASP 59 2HB ASP 59 106.026 -10.993 -13.120 429 H SER 60 H SER 60 104.441 -11.032 -11.798 430 HA SER 60 HA SER 60 102.813 -13.157 -12.429 431 1HB SER 60 1HB SER 60 103.857 -12.782 -10.248 432 2HB SER 60 2HB SER 60 102.792 -11.411 -9.947 433 HG SER 60 HG SER 60 102.359 -14.005 -9.493 434 H CYS 61 H CYS 61 101.707 -9.883 -11.535 435 HA CYS 61 HA CYS 61 98.884 -10.520 -11.785 436 1HB CYS 61 1HB CYS 61 100.444 -7.914 -11.784 437 2HB CYS 61 2HB CYS 61 98.695 -8.037 -11.593 438 H LYS 62 H LYS 62 101.354 -9.130 -13.923 439 HA LYS 62 HA LYS 62 99.594 -8.306 -16.038 440 1HB LYS 62 1HB LYS 62 102.494 -8.875 -15.616 441 2HB LYS 62 2HB LYS 62 101.929 -8.788 -17.285 442 1HG LYS 62 1HG LYS 62 100.731 -6.593 -16.464 443 2HG LYS 62 2HG LYS 62 101.939 -6.649 -15.181 444 1HD LYS 62 1HD LYS 62 103.240 -5.536 -16.684 445 2HD LYS 62 2HD LYS 62 103.495 -7.142 -17.367 446 1HE LYS 62 1HE LYS 62 101.145 -6.476 -18.576 447 2HE LYS 62 2HE LYS 62 101.909 -4.879 -18.436 448 1HZ LYS 62 1HZ LYS 62 103.578 -7.147 -19.241 449 2HZ LYS 62 2HZ LYS 62 102.521 -6.496 -20.401 450 3HZ LYS 62 3HZ LYS 62 103.697 -5.509 -19.678 451 H VAL 63 H VAL 63 101.021 -11.414 -15.181 452 HA VAL 63 HA VAL 63 100.119 -12.633 -17.737 453 HB VAL 63 HB VAL 63 101.400 -14.559 -16.892 454 1HG1 VAL 63 1HG1 VAL 63 102.420 -12.064 -17.580 455 2HG1 VAL 63 2HG1 VAL 63 103.305 -12.482 -16.112 456 3HG1 VAL 63 3HG1 VAL 63 103.338 -13.568 -17.502 457 1HG2 VAL 63 1HG2 VAL 63 100.714 -13.572 -14.402 458 2HG2 VAL 63 2HG2 VAL 63 101.899 -14.844 -14.696 459 3HG2 VAL 63 3HG2 VAL 63 102.427 -13.171 -14.515 460 H LEU 64 H LEU 64 98.322 -11.697 -15.381 461 HA LEU 64 HA LEU 64 96.969 -14.327 -14.874 462 1HB LEU 64 1HB LEU 64 97.361 -11.784 -13.320 463 2HB LEU 64 2HB LEU 64 95.945 -12.782 -12.982 464 HG LEU 64 HG LEU 64 98.805 -13.792 -12.978 465 1HD1 LEU 64 1HD1 LEU 64 97.341 -12.306 -11.015 466 2HD1 LEU 64 2HD1 LEU 64 97.537 -13.958 -10.429 467 3HD1 LEU 64 3HD1 LEU 64 98.954 -13.007 -10.875 468 1HD2 LEU 64 1HD2 LEU 64 96.287 -15.116 -13.144 469 2HD2 LEU 64 2HD2 LEU 64 97.879 -15.846 -12.927 470 3HD2 LEU 64 3HD2 LEU 64 96.917 -15.392 -11.520 471 H VAL 65 H VAL 65 95.831 -10.957 -14.674 472 HA VAL 65 HA VAL 65 94.005 -11.362 -16.916 473 HB VAL 65 HB VAL 65 93.158 -10.853 -14.073 474 1HG1 VAL 65 1HG1 VAL 65 91.753 -10.625 -16.688 475 2HG1 VAL 65 2HG1 VAL 65 90.848 -11.371 -15.370 476 3HG1 VAL 65 3HG1 VAL 65 91.486 -9.737 -15.188 477 1HG2 VAL 65 1HG2 VAL 65 93.011 -13.254 -15.891 478 2HG2 VAL 65 2HG2 VAL 65 93.605 -13.165 -14.233 479 3HG2 VAL 65 3HG2 VAL 65 91.874 -13.063 -14.556 480 H ASP 66 H ASP 66 96.210 -9.618 -15.927 481 HA ASP 66 HA ASP 66 96.758 -7.303 -15.739 482 1HB ASP 66 1HB ASP 66 96.389 -7.908 -18.157 483 2HB ASP 66 2HB ASP 66 94.737 -7.311 -18.001 484 H ASN 67 H ASN 67 94.957 -7.753 -13.734 485 HA ASN 67 HA ASN 67 93.754 -5.229 -13.260 486 1HB ASN 67 1HB ASN 67 92.404 -6.736 -15.201 487 2HB ASN 67 2HB ASN 67 91.443 -6.937 -13.737 488 1HD2 ASN 67 2HD2 ASN 67 91.302 -5.119 -16.358 489 2HD2 ASN 67 1HD2 ASN 67 90.859 -3.612 -15.713 490 HA PRO 68 HA PRO 68 93.792 -7.747 -9.527 491 1HB PRO 68 1HB PRO 68 93.779 -5.622 -7.803 492 2HB PRO 68 2HB PRO 68 95.251 -6.200 -8.610 493 1HG PRO 68 1HG PRO 68 93.517 -3.876 -9.273 494 2HG PRO 68 2HG PRO 68 95.279 -4.031 -9.354 495 1HD PRO 68 1HD PRO 68 93.641 -4.185 -11.538 496 2HD PRO 68 2HD PRO 68 95.230 -4.975 -11.437 497 H TYR 69 H TYR 69 91.585 -5.218 -10.515 498 HA TYR 69 HA TYR 69 89.629 -5.344 -8.463 499 1HB TYR 69 1HB TYR 69 89.836 -4.568 -11.318 500 2HB TYR 69 2HB TYR 69 88.200 -4.891 -10.741 501 HD1 TYR 69 HD1 TYR 69 88.310 -4.027 -7.934 502 HD2 TYR 69 HD2 TYR 69 90.036 -2.217 -11.425 503 HE1 TYR 69 HE1 TYR 69 88.266 -1.818 -6.809 504 HE2 TYR 69 HE2 TYR 69 89.993 -0.006 -10.301 505 HH TYR 69 HH TYR 69 89.914 0.923 -8.079 506 H THR 70 H THR 70 89.425 -6.989 -11.646 507 HA THR 70 HA THR 70 87.283 -8.694 -11.066 508 HB THR 70 HB THR 70 88.195 -10.021 -12.942 509 HG1 THR 70 HG1 THR 70 90.422 -8.396 -13.148 510 1HG2 THR 70 1HG2 THR 70 87.567 -7.282 -12.958 511 2HG2 THR 70 2HG2 THR 70 88.998 -7.437 -13.977 512 3HG2 THR 70 3HG2 THR 70 87.553 -8.379 -14.339 513 H ASN 71 H ASN 71 90.591 -8.849 -10.008 514 HA ASN 71 HA ASN 71 90.566 -11.676 -9.268 515 1HB ASN 71 1HB ASN 71 92.588 -10.371 -9.888 516 2HB ASN 71 2HB ASN 71 92.358 -9.362 -8.460 517 1HD2 ASN 71 2HD2 ASN 71 91.846 -12.901 -8.626 518 2HD2 ASN 71 1HD2 ASN 71 93.073 -13.290 -7.520 519 H ASN 72 H ASN 72 89.793 -12.516 -7.363 520 HA ASN 72 HA ASN 72 89.062 -10.589 -5.183 521 1HB ASN 72 1HB ASN 72 87.862 -13.222 -6.096 522 2HB ASN 72 2HB ASN 72 87.338 -12.357 -4.650 523 1HD2 ASN 72 2HD2 ASN 72 87.407 -12.212 -8.198 524 2HD2 ASN 72 1HD2 ASN 72 86.272 -10.959 -8.339 525 H TYR 73 H TYR 73 90.999 -10.779 -3.961 526 HA TYR 73 HA TYR 73 92.242 -13.341 -3.371 527 1HB TYR 73 1HB TYR 73 93.679 -11.959 -1.982 528 2HB TYR 73 2HB TYR 73 93.324 -11.058 -3.457 529 HD1 TYR 73 HD1 TYR 73 92.263 -11.501 0.092 530 HD2 TYR 73 HD2 TYR 73 92.220 -8.966 -3.374 531 HE1 TYR 73 HE1 TYR 73 91.270 -9.674 1.443 532 HE2 TYR 73 HE2 TYR 73 91.225 -7.138 -2.025 533 HH TYR 73 HH TYR 73 90.854 -6.438 0.128 534 H SER 74 H SER 74 92.311 -14.328 -1.226 535 HA SER 74 HA SER 74 89.759 -13.968 0.279 536 1HB SER 74 1HB SER 74 90.190 -16.201 -0.515 537 2HB SER 74 2HB SER 74 91.852 -16.150 0.071 538 HG SER 74 HG SER 74 91.171 -16.592 2.023 539 H TYR 75 H TYR 75 89.923 -14.043 2.688 540 HA TYR 75 HA TYR 75 92.503 -13.630 3.978 541 1HB TYR 75 1HB TYR 75 92.357 -11.291 4.337 542 2HB TYR 75 2HB TYR 75 91.880 -11.490 2.652 543 HD1 TYR 75 HD1 TYR 75 89.284 -11.876 2.245 544 HD2 TYR 75 HD2 TYR 75 90.951 -10.085 5.775 545 HE1 TYR 75 HE1 TYR 75 87.096 -10.820 2.743 546 HE2 TYR 75 HE2 TYR 75 88.764 -9.030 6.273 547 HH TYR 75 HH TYR 75 85.926 -9.968 4.943 548 H SER 76 H SER 76 91.893 -12.532 6.311 549 HA SER 76 HA SER 76 89.255 -13.452 7.284 550 1HB SER 76 1HB SER 76 91.671 -15.018 7.391 551 2HB SER 76 2HB SER 76 91.178 -14.600 9.030 552 HG SER 76 HG SER 76 90.178 -16.470 7.522 553 H CYS 77 H CYS 77 89.144 -12.986 9.751 554 HA CYS 77 HA CYS 77 90.870 -10.628 10.433 555 1HB CYS 77 1HB CYS 77 88.735 -9.806 9.739 556 2HB CYS 77 2HB CYS 77 87.889 -11.047 10.651 557 H SER 78 H SER 78 90.846 -10.200 12.795 558 HA SER 78 HA SER 78 89.912 -11.836 14.862 559 1HB SER 78 1HB SER 78 90.848 -13.818 14.145 560 2HB SER 78 2HB SER 78 92.123 -13.003 13.242 561 HG SER 78 HG SER 78 92.139 -13.989 15.764 562 H ASN 79 H ASN 79 90.899 -11.280 16.891 563 HA ASN 79 HA ASN 79 91.956 -9.677 18.292 564 1HB ASN 79 1HB ASN 79 93.942 -11.060 16.539 565 2HB ASN 79 2HB ASN 79 94.532 -9.723 17.528 566 1HD2 ASN 79 1HD2 ASN 79 93.476 -13.041 17.604 567 2HD2 ASN 79 2HD2 ASN 79 93.620 -13.263 19.280 568 H ASN 80 H ASN 80 90.586 -8.308 16.332 569 HA ASN 80 HA ASN 80 90.551 -6.358 15.035 570 1HB ASN 80 1HB ASN 80 92.700 -5.578 16.999 571 2HB ASN 80 2HB ASN 80 91.461 -4.563 16.297 572 1HD2 ASN 80 2HD2 ASN 80 89.223 -6.183 16.652 573 2HD2 ASN 80 1HD2 ASN 80 88.975 -6.377 18.303 574 H GLU 81 H GLU 81 92.219 -8.373 14.007 575 HA GLU 81 HA GLU 81 94.291 -6.734 12.670 576 1HB GLU 81 1HB GLU 81 94.486 -9.447 13.959 577 2HB GLU 81 2HB GLU 81 95.641 -8.940 12.723 578 1HG GLU 81 1HG GLU 81 95.431 -6.757 14.473 579 2HG GLU 81 2HG GLU 81 95.505 -8.179 15.509 580 H ILE 82 H ILE 82 94.839 -7.512 10.514 581 HA ILE 82 HA ILE 82 92.543 -8.920 9.231 582 HB ILE 82 HB ILE 82 94.681 -6.977 8.382 583 1HG1 ILE 82 1HG1 ILE 82 91.699 -7.026 7.855 584 2HG1 ILE 82 2HG1 ILE 82 92.405 -6.302 9.300 585 1HG2 ILE 82 1HG2 ILE 82 93.098 -8.862 6.635 586 2HG2 ILE 82 2HG2 ILE 82 93.639 -7.296 6.031 587 3HG2 ILE 82 3HG2 ILE 82 94.821 -8.491 6.569 588 1HD1 ILE 82 1HD1 ILE 82 93.790 -4.827 7.857 589 2HD1 ILE 82 2HD1 ILE 82 93.011 -5.519 6.434 590 3HD1 ILE 82 3HD1 ILE 82 92.063 -4.581 7.589 591 H THR 83 H THR 83 92.828 -10.889 8.254 592 HA THR 83 HA THR 83 95.588 -12.058 8.270 593 HB THR 83 HB THR 83 92.798 -13.074 8.741 594 HG1 THR 83 HG1 THR 83 95.099 -13.976 10.025 595 1HG2 THR 83 1HG2 THR 83 95.158 -14.759 7.862 596 2HG2 THR 83 2HG2 THR 83 93.679 -15.407 8.570 597 3HG2 THR 83 3HG2 THR 83 93.621 -14.578 7.015 598 H CYS 84 H CYS 84 96.451 -12.388 6.254 599 HA CYS 84 HA CYS 84 94.584 -12.482 3.912 600 1HB CYS 84 1HB CYS 84 97.324 -11.411 4.459 601 2HB CYS 84 2HB CYS 84 96.967 -11.953 2.819 602 H SER 85 H SER 85 94.407 -14.461 2.933 603 HA SER 85 HA SER 85 95.563 -16.858 3.710 604 1HB SER 85 1HB SER 85 95.268 -16.512 0.791 605 2HB SER 85 2HB SER 85 94.447 -17.631 1.875 606 HG SER 85 HG SER 85 93.484 -15.438 0.830 607 H SER 86 H SER 86 97.604 -17.739 3.562 608 HA SER 86 HA SER 86 99.817 -16.171 2.540 609 1HB SER 86 1HB SER 86 101.051 -18.312 3.133 610 2HB SER 86 2HB SER 86 100.087 -17.632 4.441 611 HG SER 86 HG SER 86 99.918 -20.014 3.771 612 H GLU 87 H GLU 87 97.825 -18.772 1.251 613 HA GLU 87 HA GLU 87 99.463 -19.715 -0.857 614 1HB GLU 87 1HB GLU 87 96.546 -19.452 -0.266 615 2HB GLU 87 2HB GLU 87 97.002 -19.873 -1.917 616 1HG GLU 87 1HG GLU 87 98.122 -21.848 -1.222 617 2HG GLU 87 2HG GLU 87 98.140 -21.337 0.467 618 H ASN 88 H ASN 88 97.834 -16.667 -0.454 619 HA ASN 88 HA ASN 88 97.395 -15.732 -3.027 620 1HB ASN 88 1HB ASN 88 98.574 -14.395 -0.578 621 2HB ASN 88 2HB ASN 88 98.016 -13.502 -1.991 622 1HD2 ASN 88 2HD2 ASN 88 96.670 -12.938 0.343 623 2HD2 ASN 88 1HD2 ASN 88 95.133 -13.657 0.343 624 H ASN 89 H ASN 89 98.822 -16.116 -4.717 625 HA ASN 89 HA ASN 89 101.649 -16.353 -4.514 626 1HB ASN 89 1HB ASN 89 101.516 -15.977 -6.992 627 2HB ASN 89 2HB ASN 89 100.336 -17.150 -6.408 628 1HD2 ASN 89 2HD2 ASN 89 98.939 -16.615 -8.291 629 2HD2 ASN 89 1HD2 ASN 89 98.031 -15.181 -8.295 630 H ALA 90 H ALA 90 102.970 -14.674 -6.072 631 HA ALA 90 HA ALA 90 103.519 -12.368 -4.629 632 1HB ALA 90 1HB ALA 90 104.475 -13.578 -6.840 633 2HB ALA 90 2HB ALA 90 103.662 -12.208 -7.598 634 3HB ALA 90 3HB ALA 90 104.925 -11.932 -6.397 635 H CYS 91 H CYS 91 101.045 -12.815 -7.135 636 HA CYS 91 HA CYS 91 100.303 -9.990 -7.219 637 1HB CYS 91 1HB CYS 91 100.104 -11.889 -8.994 638 2HB CYS 91 2HB CYS 91 98.629 -12.328 -8.131 639 H GLU 92 H GLU 92 98.605 -12.933 -6.048 640 HA GLU 92 HA GLU 92 96.405 -11.631 -4.832 641 1HB GLU 92 1HB GLU 92 97.912 -14.205 -4.394 642 2HB GLU 92 2HB GLU 92 96.552 -13.787 -3.352 643 1HG GLU 92 1HG GLU 92 95.386 -13.288 -5.703 644 2HG GLU 92 2HG GLU 92 96.570 -14.472 -6.258 645 H ALA 93 H ALA 93 99.693 -12.173 -3.667 646 HA ALA 93 HA ALA 93 99.161 -11.380 -0.920 647 1HB ALA 93 1HB ALA 93 101.147 -12.668 -2.305 648 2HB ALA 93 2HB ALA 93 101.882 -11.088 -2.036 649 3HB ALA 93 3HB ALA 93 101.329 -12.046 -0.664 650 H PHE 94 H PHE 94 100.421 -9.722 -3.821 651 HA PHE 94 HA PHE 94 101.078 -7.239 -2.531 652 1HB PHE 94 1HB PHE 94 101.707 -8.178 -4.848 653 2HB PHE 94 2HB PHE 94 100.123 -7.611 -5.378 654 HD1 PHE 94 HD1 PHE 94 99.530 -5.128 -4.866 655 HD2 PHE 94 HD2 PHE 94 103.529 -6.696 -4.802 656 HE1 PHE 94 HE1 PHE 94 100.434 -2.832 -5.116 657 HE2 PHE 94 HE2 PHE 94 104.433 -4.399 -5.052 658 HZ PHE 94 HZ PHE 94 102.885 -2.467 -5.209 659 H ILE 95 H ILE 95 98.111 -8.427 -4.111 660 HA ILE 95 HA ILE 95 96.625 -5.974 -3.937 661 HB ILE 95 HB ILE 95 95.699 -8.867 -3.933 662 1HG1 ILE 95 1HG1 ILE 95 95.954 -7.109 -6.363 663 2HG1 ILE 95 2HG1 ILE 95 97.359 -7.990 -5.764 664 1HG2 ILE 95 1HG2 ILE 95 94.068 -6.882 -3.447 665 2HG2 ILE 95 2HG2 ILE 95 94.263 -6.525 -5.163 666 3HG2 ILE 95 3HG2 ILE 95 93.610 -8.082 -4.655 667 1HD1 ILE 95 1HD1 ILE 95 95.196 -9.822 -5.755 668 2HD1 ILE 95 2HD1 ILE 95 95.142 -8.986 -7.308 669 3HD1 ILE 95 3HD1 ILE 95 96.607 -9.833 -6.812 670 H CYS 96 H CYS 96 96.772 -8.835 -1.788 671 HA CYS 96 HA CYS 96 94.871 -7.983 0.144 672 1HB CYS 96 1HB CYS 96 96.592 -10.111 -0.294 673 2HB CYS 96 2HB CYS 96 97.243 -9.384 1.175 674 H ASN 97 H ASN 97 98.250 -7.094 -0.347 675 HA ASN 97 HA ASN 97 98.627 -5.798 2.215 676 1HB ASN 97 1HB ASN 97 99.988 -5.920 -0.457 677 2HB ASN 97 2HB ASN 97 100.503 -4.692 0.697 678 1HD2 ASN 97 2HD2 ASN 97 102.476 -6.395 0.275 679 2HD2 ASN 97 1HD2 ASN 97 102.606 -7.575 1.480 680 H CYS 98 H CYS 98 97.461 -4.743 -0.960 681 HA CYS 98 HA CYS 98 97.501 -1.910 -0.425 682 1HB CYS 98 1HB CYS 98 95.652 -3.480 -2.244 683 2HB CYS 98 2HB CYS 98 96.184 -1.812 -2.448 684 H ASP 99 H ASP 99 94.878 -4.347 -0.268 685 HA ASP 99 HA ASP 99 92.871 -2.552 0.738 686 1HB ASP 99 1HB ASP 99 93.262 -5.558 0.915 687 2HB ASP 99 2HB ASP 99 91.755 -4.732 1.313 688 H ARG 100 H ARG 100 95.213 -4.709 2.332 689 HA ARG 100 HA ARG 100 94.223 -4.263 5.018 690 1HB ARG 100 1HB ARG 100 95.636 -6.175 4.060 691 2HB ARG 100 2HB ARG 100 97.009 -5.072 4.156 692 1HG ARG 100 1HG ARG 100 95.980 -4.753 6.643 693 2HG ARG 100 2HG ARG 100 95.517 -6.427 6.332 694 1HD ARG 100 1HD ARG 100 98.179 -6.201 5.416 695 2HD ARG 100 2HD ARG 100 98.129 -5.391 6.990 696 HE ARG 100 HE ARG 100 96.625 -7.810 7.088 697 1HH1 ARG 100 1HH1 ARG 100 99.510 -8.121 5.775 698 2HH1 ARG 100 2HH1 ARG 100 100.349 -8.772 7.144 699 1HH2 ARG 100 1HH2 ARG 100 97.831 -7.990 9.395 700 2HH2 ARG 100 2HH2 ARG 100 99.399 -8.698 9.192 701 H ASN 101 H ASN 101 97.037 -2.957 3.212 702 HA ASN 101 HA ASN 101 98.071 -1.266 5.230 703 1HB ASN 101 1HB ASN 101 98.029 -1.328 2.233 704 2HB ASN 101 2HB ASN 101 98.679 0.103 3.027 705 1HD2 ASN 101 2HD2 ASN 101 100.621 -1.084 1.716 706 2HD2 ASN 101 1HD2 ASN 101 101.583 -2.079 2.692 707 H ALA 102 H ALA 102 95.263 -0.887 3.156 708 HA ALA 102 HA ALA 102 94.890 1.959 3.690 709 1HB ALA 102 1HB ALA 102 93.734 -0.200 2.124 710 2HB ALA 102 2HB ALA 102 92.471 0.771 2.884 711 3HB ALA 102 3HB ALA 102 93.663 1.539 1.835 712 H ALA 103 H ALA 103 93.220 -1.024 4.777 713 HA ALA 103 HA ALA 103 91.445 0.224 6.626 714 1HB ALA 103 1HB ALA 103 91.566 -2.178 5.661 715 2HB ALA 103 2HB ALA 103 92.714 -2.500 6.960 716 3HB ALA 103 3HB ALA 103 91.064 -2.012 7.344 717 H ILE 104 H ILE 104 94.739 -1.068 7.033 718 HA ILE 104 HA ILE 104 94.940 -0.654 9.863 719 HB ILE 104 HB ILE 104 96.957 -0.735 7.599 720 1HG1 ILE 104 1HG1 ILE 104 96.103 -2.805 9.650 721 2HG1 ILE 104 2HG1 ILE 104 95.588 -2.778 7.963 722 1HG2 ILE 104 1HG2 ILE 104 97.274 -0.391 10.547 723 2HG2 ILE 104 2HG2 ILE 104 98.394 -1.484 9.735 724 3HG2 ILE 104 3HG2 ILE 104 98.288 0.202 9.231 725 1HD1 ILE 104 1HD1 ILE 104 98.504 -2.845 8.758 726 2HD1 ILE 104 2HD1 ILE 104 97.560 -4.313 8.508 727 3HD1 ILE 104 3HD1 ILE 104 97.803 -3.183 7.175 728 H CYS 105 H CYS 105 95.560 1.447 7.070 729 HA CYS 105 HA CYS 105 96.816 3.601 8.498 730 1HB CYS 105 1HB CYS 105 96.600 3.037 5.960 731 2HB CYS 105 2HB CYS 105 95.060 3.890 6.060 732 H PHE 106 H PHE 106 93.407 3.002 7.573 733 HA PHE 106 HA PHE 106 92.218 5.347 8.528 734 1HB PHE 106 1HB PHE 106 91.340 2.448 8.493 735 2HB PHE 106 2HB PHE 106 90.244 3.764 8.908 736 HD1 PHE 106 HD1 PHE 106 92.609 5.037 6.636 737 HD2 PHE 106 HD2 PHE 106 89.116 2.541 6.797 738 HE1 PHE 106 HE1 PHE 106 92.198 5.454 4.228 739 HE2 PHE 106 HE2 PHE 106 88.707 2.962 4.388 740 HZ PHE 106 HZ PHE 106 90.248 4.417 3.103 741 H SER 107 H SER 107 93.288 2.465 10.272 742 HA SER 107 HA SER 107 92.261 3.460 12.857 743 1HB SER 107 1HB SER 107 93.120 1.312 13.652 744 2HB SER 107 2HB SER 107 92.252 1.058 12.141 745 HG SER 107 HG SER 107 94.559 1.505 11.277 746 H LYS 108 H LYS 108 95.100 3.767 10.957 747 HA LYS 108 HA LYS 108 96.829 4.360 13.309 748 1HB LYS 108 1HB LYS 108 97.227 3.934 10.342 749 2HB LYS 108 2HB LYS 108 98.524 4.559 11.362 750 1HG LYS 108 1HG LYS 108 97.420 2.339 12.735 751 2HG LYS 108 2HG LYS 108 97.633 1.838 11.056 752 1HD LYS 108 1HD LYS 108 99.798 3.228 12.650 753 2HD LYS 108 2HD LYS 108 99.658 1.473 12.539 754 1HE LYS 108 1HE LYS 108 100.698 1.500 10.528 755 2HE LYS 108 2HE LYS 108 99.476 2.621 9.892 756 1HZ LYS 108 1HZ LYS 108 101.606 3.533 11.728 757 2HZ LYS 108 2HZ LYS 108 101.859 3.473 10.050 758 3HZ LYS 108 3HZ LYS 108 100.637 4.462 10.692 759 H VAL 109 H VAL 109 94.978 5.895 10.814 760 HA VAL 109 HA VAL 109 96.247 8.540 11.441 761 HB VAL 109 HB VAL 109 95.593 9.168 9.211 762 1HG1 VAL 109 1HG1 VAL 109 97.437 7.280 9.672 763 2HG1 VAL 109 2HG1 VAL 109 96.330 6.324 8.686 764 3HG1 VAL 109 3HG1 VAL 109 97.034 7.805 8.037 765 1HG2 VAL 109 1HG2 VAL 109 93.796 6.788 9.497 766 2HG2 VAL 109 2HG2 VAL 109 93.441 8.383 8.836 767 3HG2 VAL 109 3HG2 VAL 109 94.359 7.217 7.883 768 HA PRO 110 HA PRO 110 92.408 9.727 13.228 769 1HB PRO 110 1HB PRO 110 92.558 12.437 12.892 770 2HB PRO 110 2HB PRO 110 93.533 11.556 14.085 771 1HG PRO 110 1HG PRO 110 94.305 12.614 11.419 772 2HG PRO 110 2HG PRO 110 95.245 12.527 12.917 773 1HD PRO 110 1HD PRO 110 95.528 10.787 10.811 774 2HD PRO 110 2HD PRO 110 95.960 10.405 12.492 775 H TYR 111 H TYR 111 90.371 11.015 12.649 776 HA TYR 111 HA TYR 111 89.966 11.094 9.674 777 1HB TYR 111 1HB TYR 111 88.883 9.136 10.492 778 2HB TYR 111 2HB TYR 111 88.300 9.968 11.934 779 HD1 TYR 111 HD1 TYR 111 88.190 10.658 8.238 780 HD2 TYR 111 HD2 TYR 111 85.997 10.290 11.915 781 HE1 TYR 111 HE1 TYR 111 86.096 11.258 7.051 782 HE2 TYR 111 HE2 TYR 111 83.905 10.889 10.727 783 HH TYR 111 HH TYR 111 83.037 10.787 8.367 784 H ASN 112 H ASN 112 89.107 13.022 8.955 785 HA ASN 112 HA ASN 112 88.099 14.945 11.021 786 1HB ASN 112 1HB ASN 112 89.580 15.165 8.409 787 2HB ASN 112 2HB ASN 112 88.679 16.550 9.027 788 1HD2 ASN 112 2HD2 ASN 112 91.466 14.453 9.626 789 2HD2 ASN 112 1HD2 ASN 112 92.140 15.402 10.861 790 H LYS 113 H LYS 113 85.865 14.610 11.012 791 HA LYS 113 HA LYS 113 84.221 13.834 8.859 792 1HB LYS 113 1HB LYS 113 83.975 14.602 11.520 793 2HB LYS 113 2HB LYS 113 83.037 15.822 10.658 794 1HG LYS 113 1HG LYS 113 81.971 13.852 9.387 795 2HG LYS 113 2HG LYS 113 82.666 12.826 10.644 796 1HD LYS 113 1HD LYS 113 81.539 14.385 12.334 797 2HD LYS 113 2HD LYS 113 80.637 15.044 10.968 798 1HE LYS 113 1HE LYS 113 79.990 12.604 10.431 799 2HE LYS 113 2HE LYS 113 80.564 12.226 12.067 800 1HZ LYS 113 1HZ LYS 113 79.157 14.075 12.880 801 2HZ LYS 113 2HZ LYS 113 78.504 14.233 11.320 802 3HZ LYS 113 3HZ LYS 113 78.256 12.805 12.200 803 H GLU 114 H GLU 114 85.575 16.996 9.621 804 HA GLU 114 HA GLU 114 83.905 18.615 8.005 805 1HB GLU 114 1HB GLU 114 86.279 18.797 9.565 806 2HB GLU 114 2HB GLU 114 86.629 19.525 7.997 807 1HG GLU 114 1HG GLU 114 84.401 20.780 8.270 808 2HG GLU 114 2HG GLU 114 84.461 20.278 9.960 809 H HIS 115 H HIS 115 86.722 16.634 7.239 810 HA HIS 115 HA HIS 115 86.895 17.597 4.471 811 1HB HIS 115 1HB HIS 115 88.272 15.676 6.297 812 2HB HIS 115 2HB HIS 115 88.460 15.417 4.565 813 HD1 HIS 115 HD1 HIS 115 89.259 17.658 3.191 814 HD2 HIS 115 HD2 HIS 115 89.952 17.636 7.302 815 HE1 HIS 115 HE1 HIS 115 90.989 19.453 3.636 816 H LYS 116 H LYS 116 84.692 15.665 6.007 817 HA LYS 116 HA LYS 116 84.490 13.356 4.335 818 1HB LYS 116 1HB LYS 116 83.446 14.107 6.635 819 2HB LYS 116 2HB LYS 116 82.154 14.739 5.613 820 1HG LYS 116 1HG LYS 116 81.894 12.516 4.577 821 2HG LYS 116 2HG LYS 116 83.175 11.888 5.614 822 1HD LYS 116 1HD LYS 116 81.063 11.324 6.641 823 2HD LYS 116 2HD LYS 116 81.799 12.603 7.606 824 1HE LYS 116 1HE LYS 116 79.681 13.514 7.372 825 2HE LYS 116 2HE LYS 116 80.397 14.129 5.869 826 1HZ LYS 116 1HZ LYS 116 79.719 11.917 4.874 827 2HZ LYS 116 2HZ LYS 116 78.740 11.703 6.245 828 3HZ LYS 116 3HZ LYS 116 78.460 13.009 5.201 829 H ASN 117 H ASN 117 83.607 13.135 2.304 830 HA ASN 117 HA ASN 117 82.719 13.803 0.214 831 1HB ASN 117 1HB ASN 117 80.907 14.932 2.348 832 2HB ASN 117 2HB ASN 117 80.525 15.137 0.639 833 1HD2 ASN 117 2HD2 ASN 117 81.747 12.404 2.670 834 2HD2 ASN 117 1HD2 ASN 117 80.651 11.267 2.049 835 H LEU 118 H LEU 118 84.927 15.333 0.659 836 HA LEU 118 HA LEU 118 84.334 18.155 0.666 837 1HB LEU 118 1HB LEU 118 86.321 17.513 1.712 838 2HB LEU 118 2HB LEU 118 86.652 16.283 0.510 839 HG LEU 118 HG LEU 118 87.015 18.136 -1.136 840 1HD1 LEU 118 1HD1 LEU 118 85.876 19.818 0.514 841 2HD1 LEU 118 2HD1 LEU 118 87.456 19.865 1.298 842 3HD1 LEU 118 3HD1 LEU 118 87.291 20.366 -0.386 843 1HD2 LEU 118 1HD2 LEU 118 88.718 17.287 1.102 844 2HD2 LEU 118 2HD2 LEU 118 89.074 17.329 -0.625 845 3HD2 LEU 118 3HD2 LEU 118 89.234 18.793 0.346 846 H ASP 119 H ASP 119 85.372 19.420 -1.248 847 HA ASP 119 HA ASP 119 84.290 18.301 -3.772 848 1HB ASP 119 1HB ASP 119 83.715 20.582 -2.852 849 2HB ASP 119 2HB ASP 119 85.390 21.055 -3.143 850 H LYS 120 H LYS 120 85.612 17.629 -5.421 851 HA LYS 120 HA LYS 120 88.407 17.256 -5.097 852 1HB LYS 120 1HB LYS 120 86.555 17.302 -7.492 853 2HB LYS 120 2HB LYS 120 88.230 16.755 -7.580 854 1HG LYS 120 1HG LYS 120 87.813 14.833 -6.385 855 2HG LYS 120 2HG LYS 120 86.530 15.580 -5.432 856 1HD LYS 120 1HD LYS 120 85.404 14.061 -6.868 857 2HD LYS 120 2HD LYS 120 85.174 15.642 -7.617 858 1HE LYS 120 1HE LYS 120 85.841 14.119 -9.378 859 2HE LYS 120 2HE LYS 120 87.254 15.133 -9.023 860 1HZ LYS 120 1HZ LYS 120 86.861 12.718 -7.417 861 2HZ LYS 120 2HZ LYS 120 87.417 12.514 -9.009 862 3HZ LYS 120 3HZ LYS 120 88.303 13.462 -7.913 863 H LYS 121 H LYS 121 86.641 20.066 -5.869 864 HA LYS 121 HA LYS 121 88.353 21.409 -7.710 865 1HB LYS 121 1HB LYS 121 86.177 21.970 -5.823 866 2HB LYS 121 2HB LYS 121 87.259 23.340 -6.071 867 1HG LYS 121 1HG LYS 121 86.875 22.259 -8.623 868 2HG LYS 121 2HG LYS 121 85.280 22.225 -7.871 869 1HD LYS 121 1HD LYS 121 85.330 24.569 -7.426 870 2HD LYS 121 2HD LYS 121 87.052 24.673 -7.795 871 1HE LYS 121 1HE LYS 121 86.274 25.383 -9.844 872 2HE LYS 121 2HE LYS 121 86.100 23.642 -10.141 873 1HZ LYS 121 1HZ LYS 121 83.997 25.176 -8.743 874 2HZ LYS 121 2HZ LYS 121 84.034 25.095 -10.440 875 3HZ LYS 121 3HZ LYS 121 83.871 23.675 -9.522 876 H ASN 122 H ASN 122 88.871 20.507 -4.500 877 HA ASN 122 HA ASN 122 90.879 22.633 -3.955 878 1HB ASN 122 1HB ASN 122 89.374 20.512 -2.480 879 2HB ASN 122 2HB ASN 122 90.945 20.982 -1.840 880 1HD2 ASN 122 2HD2 ASN 122 87.686 21.737 -1.653 881 2HD2 ASN 122 1HD2 ASN 122 87.809 23.345 -1.121 882 H CYS 123 H CYS 123 90.541 19.584 -5.310 883 HA CYS 123 HA CYS 123 93.314 18.696 -4.722 884 1HB CYS 123 1HB CYS 123 90.693 17.555 -5.541 885 2HB CYS 123 2HB CYS 123 92.123 16.726 -6.124 Start of MODEL 13 1 1H ALA 1 1H ALA 1 87.177 -8.747 -3.854 2 2H ALA 1 2H ALA 1 85.585 -9.088 -4.338 3 3H ALA 1 3H ALA 1 86.875 -9.972 -4.993 4 HA ALA 1 HA ALA 1 87.679 -8.091 -6.200 5 1HB ALA 1 1HB ALA 1 85.807 -9.469 -7.084 6 2HB ALA 1 2HB ALA 1 84.657 -8.366 -6.329 7 3HB ALA 1 3HB ALA 1 85.695 -7.797 -7.635 8 H LEU 2 H LEU 2 85.350 -7.331 -3.704 9 HA LEU 2 HA LEU 2 86.264 -4.553 -3.599 10 1HB LEU 2 1HB LEU 2 84.012 -5.354 -5.219 11 2HB LEU 2 2HB LEU 2 83.455 -4.305 -3.915 12 HG LEU 2 HG LEU 2 85.888 -3.582 -5.540 13 1HD1 LEU 2 1HD1 LEU 2 83.384 -3.958 -6.681 14 2HD1 LEU 2 2HD1 LEU 2 83.403 -2.235 -6.304 15 3HD1 LEU 2 3HD1 LEU 2 84.663 -2.928 -7.326 16 1HD2 LEU 2 1HD2 LEU 2 85.017 -2.484 -3.296 17 2HD2 LEU 2 2HD2 LEU 2 85.592 -1.463 -4.614 18 3HD2 LEU 2 3HD2 LEU 2 83.861 -1.700 -4.372 19 H TRP 3 H TRP 3 83.334 -6.446 -2.746 20 HA TRP 3 HA TRP 3 82.813 -5.256 -0.247 21 1HB TRP 3 1HB TRP 3 81.460 -7.216 0.117 22 2HB TRP 3 2HB TRP 3 81.450 -6.910 -1.619 23 HD1 TRP 3 HD1 TRP 3 83.142 -8.436 -3.124 24 HE1 TRP 3 HE1 TRP 3 83.931 -10.865 -2.763 25 HE3 TRP 3 HE3 TRP 3 82.025 -9.004 1.827 26 HZ2 TRP 3 HZ2 TRP 3 84.067 -12.791 -0.658 27 HZ3 TRP 3 HZ3 TRP 3 82.494 -11.145 2.983 28 HH2 TRP 3 HH2 TRP 3 83.513 -13.037 1.747 29 H GLN 4 H GLN 4 85.308 -7.543 -1.137 30 HA GLN 4 HA GLN 4 85.910 -8.627 1.443 31 1HB GLN 4 1HB GLN 4 87.689 -8.032 -0.946 32 2HB GLN 4 2HB GLN 4 88.063 -9.168 0.350 33 1HG GLN 4 1HG GLN 4 86.166 -10.558 -0.241 34 2HG GLN 4 2HG GLN 4 85.618 -9.375 -1.429 35 1HE2 GLN 4 2HE2 GLN 4 86.206 -12.049 -2.227 36 2HE2 GLN 4 1HE2 GLN 4 87.594 -12.031 -3.203 37 H PHE 5 H PHE 5 87.167 -5.757 -0.274 38 HA PHE 5 HA PHE 5 89.112 -4.934 1.614 39 1HB PHE 5 1HB PHE 5 88.858 -3.978 -0.616 40 2HB PHE 5 2HB PHE 5 87.256 -3.367 -0.207 41 HD1 PHE 5 HD1 PHE 5 89.919 -3.331 2.305 42 HD2 PHE 5 HD2 PHE 5 87.933 -1.047 -0.742 43 HE1 PHE 5 HE1 PHE 5 90.937 -1.254 3.198 44 HE2 PHE 5 HE2 PHE 5 88.950 1.030 0.152 45 HZ PHE 5 HZ PHE 5 90.452 0.927 2.123 46 H ASN 6 H ASN 6 85.607 -4.286 1.501 47 HA ASN 6 HA ASN 6 85.372 -2.421 3.602 48 1HB ASN 6 1HB ASN 6 83.565 -3.151 2.094 49 2HB ASN 6 2HB ASN 6 83.591 -4.755 2.825 50 1HD2 ASN 6 2HD2 ASN 6 81.632 -2.214 2.839 51 2HD2 ASN 6 1HD2 ASN 6 81.155 -2.162 4.466 52 H GLY 7 H GLY 7 85.007 -5.975 3.865 53 1HA GLY 7 1HA GLY 7 84.769 -6.223 6.621 54 2HA GLY 7 2HA GLY 7 85.610 -7.417 5.631 55 H MET 8 H MET 8 87.740 -5.647 4.766 56 HA MET 8 HA MET 8 89.625 -6.038 6.870 57 1HB MET 8 1HB MET 8 89.654 -4.090 4.541 58 2HB MET 8 2HB MET 8 91.070 -4.663 5.420 59 1HG MET 8 1HG MET 8 89.196 -6.665 4.198 60 2HG MET 8 2HG MET 8 90.366 -5.838 3.169 61 1HE MET 8 1HE MET 8 91.694 -7.618 2.412 62 2HE MET 8 2HE MET 8 92.443 -8.911 3.346 63 3HE MET 8 3HE MET 8 90.685 -8.856 3.152 64 H ILE 9 H ILE 9 87.997 -3.028 5.787 65 HA ILE 9 HA ILE 9 89.153 -1.340 7.799 66 HB ILE 9 HB ILE 9 86.536 -1.152 6.271 67 1HG1 ILE 9 1HG1 ILE 9 89.234 0.058 5.608 68 2HG1 ILE 9 2HG1 ILE 9 88.660 -1.459 4.913 69 1HG2 ILE 9 1HG2 ILE 9 87.384 0.426 8.364 70 2HG2 ILE 9 2HG2 ILE 9 88.008 1.299 6.965 71 3HG2 ILE 9 3HG2 ILE 9 86.284 0.951 7.089 72 1HD1 ILE 9 1HD1 ILE 9 86.527 0.345 4.606 73 2HD1 ILE 9 2HD1 ILE 9 87.972 1.261 4.177 74 3HD1 ILE 9 3HD1 ILE 9 87.601 -0.245 3.338 75 H LYS 10 H LYS 10 86.675 -3.734 7.956 76 HA LYS 10 HA LYS 10 85.332 -2.574 10.310 77 1HB LYS 10 1HB LYS 10 85.097 -5.038 8.594 78 2HB LYS 10 2HB LYS 10 84.224 -4.939 10.124 79 1HG LYS 10 1HG LYS 10 83.543 -2.547 9.162 80 2HG LYS 10 2HG LYS 10 83.848 -3.349 7.622 81 1HD LYS 10 1HD LYS 10 81.884 -4.165 9.774 82 2HD LYS 10 2HD LYS 10 81.532 -3.710 8.106 83 1HE LYS 10 1HE LYS 10 83.413 -5.874 8.049 84 2HE LYS 10 2HE LYS 10 82.063 -6.326 9.111 85 1HZ LYS 10 1HZ LYS 10 80.646 -5.221 7.273 86 2HZ LYS 10 2HZ LYS 10 81.996 -5.495 6.285 87 3HZ LYS 10 3HZ LYS 10 81.213 -6.804 7.035 88 H CYS 11 H CYS 11 87.596 -5.226 9.589 89 HA CYS 11 HA CYS 11 87.652 -6.407 12.170 90 1HB CYS 11 1HB CYS 11 88.520 -7.358 10.035 91 2HB CYS 11 2HB CYS 11 89.824 -6.177 10.070 92 H LYS 12 H LYS 12 89.810 -4.002 10.669 93 HA LYS 12 HA LYS 12 91.392 -3.559 13.056 94 1HB LYS 12 1HB LYS 12 90.972 -2.212 10.393 95 2HB LYS 12 2HB LYS 12 91.987 -1.451 11.620 96 1HG LYS 12 1HG LYS 12 92.771 -4.158 11.559 97 2HG LYS 12 2HG LYS 12 92.608 -3.671 9.871 98 1HD LYS 12 1HD LYS 12 94.496 -2.452 9.984 99 2HD LYS 12 2HD LYS 12 93.885 -1.565 11.381 100 1HE LYS 12 1HE LYS 12 94.859 -4.369 11.816 101 2HE LYS 12 2HE LYS 12 96.061 -3.078 11.610 102 1HZ LYS 12 1HZ LYS 12 94.510 -1.796 13.212 103 2HZ LYS 12 2HZ LYS 12 93.954 -3.340 13.654 104 3HZ LYS 12 3HZ LYS 12 95.592 -2.935 13.851 105 H ILE 13 H ILE 13 88.599 -1.897 11.598 106 HA ILE 13 HA ILE 13 88.362 -0.287 14.121 107 HB ILE 13 HB ILE 13 87.902 0.425 11.212 108 1HG1 ILE 13 1HG1 ILE 13 89.578 1.921 13.215 109 2HG1 ILE 13 2HG1 ILE 13 90.227 0.484 12.425 110 1HG2 ILE 13 1HG2 ILE 13 86.858 1.629 13.723 111 2HG2 ILE 13 2HG2 ILE 13 87.496 2.750 12.520 112 3HG2 ILE 13 3HG2 ILE 13 86.179 1.656 12.096 113 1HD1 ILE 13 1HD1 ILE 13 89.134 1.851 10.303 114 2HD1 ILE 13 2HD1 ILE 13 89.729 3.165 11.318 115 3HD1 ILE 13 3HD1 ILE 13 90.835 1.907 10.766 116 HA PRO 14 HA PRO 14 84.515 -2.748 13.498 117 1HB PRO 14 1HB PRO 14 84.273 -3.507 16.115 118 2HB PRO 14 2HB PRO 14 85.253 -4.403 14.938 119 1HG PRO 14 1HG PRO 14 86.106 -2.498 17.051 120 2HG PRO 14 2HG PRO 14 86.897 -3.970 16.469 121 1HD PRO 14 1HD PRO 14 87.648 -1.423 15.762 122 2HD PRO 14 2HD PRO 14 87.977 -2.872 14.789 123 H SER 15 H SER 15 85.478 -0.312 15.856 124 HA SER 15 HA SER 15 82.851 0.349 16.838 125 1HB SER 15 1HB SER 15 84.113 2.498 17.447 126 2HB SER 15 2HB SER 15 84.808 0.998 18.056 127 HG SER 15 HG SER 15 86.382 2.325 17.065 128 H SER 16 H SER 16 84.741 1.400 14.033 129 HA SER 16 HA SER 16 82.481 3.204 13.236 130 1HB SER 16 1HB SER 16 85.363 3.413 13.308 131 2HB SER 16 2HB SER 16 84.791 3.641 11.658 132 HG SER 16 HG SER 16 84.550 5.608 12.502 133 H GLU 17 H GLU 17 81.462 2.803 11.273 134 HA GLU 17 HA GLU 17 82.151 0.279 9.883 135 1HB GLU 17 1HB GLU 17 79.878 2.268 9.556 136 2HB GLU 17 2HB GLU 17 79.953 0.665 8.824 137 1HG GLU 17 1HG GLU 17 80.336 -0.111 11.324 138 2HG GLU 17 2HG GLU 17 79.536 1.417 11.694 139 HA PRO 18 HA PRO 18 84.145 2.330 6.546 140 1HB PRO 18 1HB PRO 18 83.692 0.510 4.553 141 2HB PRO 18 2HB PRO 18 84.858 0.239 5.862 142 1HG PRO 18 1HG PRO 18 82.100 -0.823 5.534 143 2HG PRO 18 2HG PRO 18 83.545 -1.611 6.187 144 1HD PRO 18 1HD PRO 18 81.535 -0.587 7.735 145 2HD PRO 18 2HD PRO 18 83.216 -0.762 8.282 146 H LEU 19 H LEU 19 80.778 1.536 6.488 147 HA LEU 19 HA LEU 19 80.260 3.018 3.974 148 1HB LEU 19 1HB LEU 19 78.782 1.260 5.891 149 2HB LEU 19 2HB LEU 19 77.834 2.381 4.912 150 HG LEU 19 HG LEU 19 78.947 1.485 2.869 151 1HD1 LEU 19 1HD1 LEU 19 80.496 0.074 4.944 152 2HD1 LEU 19 2HD1 LEU 19 79.956 -0.958 3.620 153 3HD1 LEU 19 3HD1 LEU 19 80.938 0.468 3.283 154 1HD2 LEU 19 1HD2 LEU 19 77.290 -0.170 4.720 155 2HD2 LEU 19 2HD2 LEU 19 76.913 0.422 3.101 156 3HD2 LEU 19 3HD2 LEU 19 77.966 -0.978 3.305 157 H LEU 20 H LEU 20 80.534 3.665 7.316 158 HA LEU 20 HA LEU 20 79.003 6.227 6.987 159 1HB LEU 20 1HB LEU 20 79.435 4.540 9.476 160 2HB LEU 20 2HB LEU 20 78.428 5.983 9.359 161 HG LEU 20 HG LEU 20 77.861 3.809 7.410 162 1HD1 LEU 20 1HD1 LEU 20 77.694 3.498 10.364 163 2HD1 LEU 20 2HD1 LEU 20 76.283 2.983 9.441 164 3HD1 LEU 20 3HD1 LEU 20 77.862 2.268 9.110 165 1HD2 LEU 20 1HD2 LEU 20 76.271 5.770 9.083 166 2HD2 LEU 20 2HD2 LEU 20 76.493 5.777 7.334 167 3HD2 LEU 20 3HD2 LEU 20 75.507 4.527 8.093 168 H ASP 21 H ASP 21 81.851 5.838 6.397 169 HA ASP 21 HA ASP 21 82.941 7.968 8.081 170 1HB ASP 21 1HB ASP 21 83.187 5.226 8.849 171 2HB ASP 21 2HB ASP 21 84.785 5.797 8.365 172 H PHE 22 H PHE 22 84.037 5.217 6.045 173 HA PHE 22 HA PHE 22 85.901 7.075 4.643 174 1HB PHE 22 1HB PHE 22 85.635 4.057 4.517 175 2HB PHE 22 2HB PHE 22 87.004 5.020 3.964 176 HD1 PHE 22 HD1 PHE 22 87.626 6.881 5.992 177 HD2 PHE 22 HD2 PHE 22 86.138 2.878 6.461 178 HE1 PHE 22 HE1 PHE 22 88.615 6.779 8.265 179 HE2 PHE 22 HE2 PHE 22 87.128 2.776 8.733 180 HZ PHE 22 HZ PHE 22 88.366 4.726 9.634 181 H ASN 23 H ASN 23 83.465 7.754 3.792 182 HA ASN 23 HA ASN 23 83.172 6.359 1.153 183 1HB ASN 23 1HB ASN 23 81.425 6.123 3.195 184 2HB ASN 23 2HB ASN 23 80.806 7.607 2.467 185 1HD2 ASN 23 2HD2 ASN 23 79.051 5.574 2.225 186 2HD2 ASN 23 1HD2 ASN 23 79.077 4.885 0.674 187 H ASN 24 H ASN 24 83.473 7.793 -0.503 188 HA ASN 24 HA ASN 24 83.766 9.871 -1.603 189 1HB ASN 24 1HB ASN 24 81.271 9.484 -1.364 190 2HB ASN 24 2HB ASN 24 81.315 10.527 0.058 191 1HD2 ASN 24 2HD2 ASN 24 79.739 11.724 -1.615 192 2HD2 ASN 24 1HD2 ASN 24 80.491 12.890 -2.594 193 H TYR 25 H TYR 25 85.537 9.803 0.457 194 HA TYR 25 HA TYR 25 85.243 12.482 1.785 195 1HB TYR 25 1HB TYR 25 85.128 10.774 3.448 196 2HB TYR 25 2HB TYR 25 86.405 9.834 2.678 197 HD1 TYR 25 HD1 TYR 25 88.768 10.625 2.751 198 HD2 TYR 25 HD2 TYR 25 85.633 12.604 4.924 199 HE1 TYR 25 HE1 TYR 25 90.463 11.787 4.141 200 HE2 TYR 25 HE2 TYR 25 87.328 13.763 6.314 201 HH TYR 25 HH TYR 25 90.642 13.811 5.508 202 H GLY 26 H GLY 26 87.332 13.646 2.040 203 1HA GLY 26 1HA GLY 26 89.269 14.515 0.997 204 2HA GLY 26 2HA GLY 26 89.840 12.851 1.123 205 H CYS 27 H CYS 27 90.926 13.503 -0.978 206 HA CYS 27 HA CYS 27 89.098 13.582 -3.317 207 1HB CYS 27 1HB CYS 27 91.467 14.821 -2.657 208 2HB CYS 27 2HB CYS 27 92.015 13.530 -3.726 209 H TYR 28 H TYR 28 91.001 11.297 -1.545 210 HA TYR 28 HA TYR 28 91.062 9.427 -3.875 211 1HB TYR 28 1HB TYR 28 92.518 9.662 -1.242 212 2HB TYR 28 2HB TYR 28 92.582 8.176 -2.189 213 HD1 TYR 28 HD1 TYR 28 93.356 8.309 -4.619 214 HD2 TYR 28 HD2 TYR 28 93.848 11.536 -1.826 215 HE1 TYR 28 HE1 TYR 28 95.085 9.317 -6.086 216 HE2 TYR 28 HE2 TYR 28 95.577 12.542 -3.291 217 HH TYR 28 HH TYR 28 96.795 10.852 -6.122 218 H CYS 29 H CYS 29 90.110 9.548 -0.416 219 HA CYS 29 HA CYS 29 89.006 6.935 -0.241 220 1HB CYS 29 1HB CYS 29 88.175 9.520 1.114 221 2HB CYS 29 2HB CYS 29 87.789 7.899 1.688 222 H GLY 30 H GLY 30 87.861 6.665 -2.338 223 1HA GLY 30 1HA GLY 30 85.087 6.849 -2.225 224 2HA GLY 30 2HA GLY 30 85.593 8.355 -2.991 225 H LEU 31 H LEU 31 84.954 7.983 -5.097 226 HA LEU 31 HA LEU 31 85.257 5.452 -6.463 227 1HB LEU 31 1HB LEU 31 84.914 8.282 -7.511 228 2HB LEU 31 2HB LEU 31 84.560 6.801 -8.401 229 HG LEU 31 HG LEU 31 83.247 6.845 -5.797 230 1HD1 LEU 31 1HD1 LEU 31 83.353 9.341 -7.091 231 2HD1 LEU 31 2HD1 LEU 31 81.766 8.680 -7.483 232 3HD1 LEU 31 3HD1 LEU 31 82.252 8.866 -5.797 233 1HD2 LEU 31 1HD2 LEU 31 82.554 6.385 -8.684 234 2HD2 LEU 31 2HD2 LEU 31 82.417 5.279 -7.317 235 3HD2 LEU 31 3HD2 LEU 31 81.255 6.592 -7.510 236 H GLY 32 H GLY 32 87.509 7.843 -5.604 237 1HA GLY 32 1HA GLY 32 89.891 7.438 -6.028 238 2HA GLY 32 2HA GLY 32 89.447 6.740 -7.587 239 H GLY 33 H GLY 33 89.505 9.809 -5.785 240 1HA GLY 33 1HA GLY 33 88.994 11.408 -8.162 241 2HA GLY 33 2HA GLY 33 89.507 12.027 -6.592 242 H SER 34 H SER 34 91.359 13.171 -6.945 243 HA SER 34 HA SER 34 93.833 11.954 -7.584 244 1HB SER 34 1HB SER 34 93.245 11.507 -9.781 245 2HB SER 34 2HB SER 34 92.135 12.871 -9.868 246 HG SER 34 HG SER 34 93.723 14.104 -10.503 247 H GLY 35 H GLY 35 95.363 13.401 -6.876 248 1HA GLY 35 1HA GLY 35 96.216 15.788 -7.297 249 2HA GLY 35 2HA GLY 35 94.597 16.290 -6.805 250 H THR 36 H THR 36 96.620 17.323 -5.334 251 HA THR 36 HA THR 36 97.756 15.979 -3.187 252 HB THR 36 HB THR 36 96.321 18.651 -3.070 253 HG1 THR 36 HG1 THR 36 97.787 19.365 -4.375 254 1HG2 THR 36 1HG2 THR 36 97.214 17.768 -0.922 255 2HG2 THR 36 2HG2 THR 36 98.810 17.646 -1.664 256 3HG2 THR 36 3HG2 THR 36 98.055 19.226 -1.451 257 HA PRO 37 HA PRO 37 94.307 14.390 -0.932 258 1HB PRO 37 1HB PRO 37 95.603 13.851 1.417 259 2HB PRO 37 2HB PRO 37 95.792 12.856 -0.041 260 1HG PRO 37 1HG PRO 37 97.593 14.948 1.067 261 2HG PRO 37 2HG PRO 37 97.994 13.409 0.290 262 1HD PRO 37 1HD PRO 37 98.138 15.829 -0.972 263 2HD PRO 37 2HD PRO 37 97.858 14.290 -1.816 264 H VAL 38 H VAL 38 93.651 14.732 1.665 265 HA VAL 38 HA VAL 38 93.650 17.708 2.065 266 HB VAL 38 HB VAL 38 91.397 17.150 3.185 267 1HG1 VAL 38 1HG1 VAL 38 91.813 16.666 0.220 268 2HG1 VAL 38 2HG1 VAL 38 90.246 16.974 0.970 269 3HG1 VAL 38 3HG1 VAL 38 91.497 18.217 0.997 270 1HG2 VAL 38 1HG2 VAL 38 92.018 14.663 3.278 271 2HG2 VAL 38 2HG2 VAL 38 90.394 15.041 2.704 272 3HG2 VAL 38 3HG2 VAL 38 91.660 14.618 1.552 273 H ASP 39 H ASP 39 93.907 14.530 3.596 274 HA ASP 39 HA ASP 39 95.226 15.768 5.932 275 1HB ASP 39 1HB ASP 39 92.446 15.216 5.863 276 2HB ASP 39 2HB ASP 39 93.176 13.981 6.890 277 H ASP 40 H ASP 40 95.257 13.627 7.630 278 HA ASP 40 HA ASP 40 97.138 11.827 6.390 279 1HB ASP 40 1HB ASP 40 95.613 11.818 9.011 280 2HB ASP 40 2HB ASP 40 96.919 10.694 8.638 281 H LEU 41 H LEU 41 93.715 11.444 7.391 282 HA LEU 41 HA LEU 41 93.479 8.668 6.774 283 1HB LEU 41 1HB LEU 41 91.896 10.243 8.030 284 2HB LEU 41 2HB LEU 41 91.336 10.783 6.446 285 HG LEU 41 HG LEU 41 90.617 8.552 5.861 286 1HD1 LEU 41 1HD1 LEU 41 92.398 7.848 8.095 287 2HD1 LEU 41 2HD1 LEU 41 90.877 6.954 8.086 288 3HD1 LEU 41 3HD1 LEU 41 91.940 6.902 6.680 289 1HD2 LEU 41 1HD2 LEU 41 89.471 10.059 7.866 290 2HD2 LEU 41 2HD2 LEU 41 88.727 8.647 7.116 291 3HD2 LEU 41 3HD2 LEU 41 89.619 8.476 8.628 292 H ASP 42 H ASP 42 92.616 11.521 4.772 293 HA ASP 42 HA ASP 42 91.863 10.137 2.418 294 1HB ASP 42 1HB ASP 42 91.480 12.500 2.686 295 2HB ASP 42 2HB ASP 42 93.197 12.811 2.938 296 H ARG 43 H ARG 43 95.059 11.152 3.591 297 HA ARG 43 HA ARG 43 96.642 10.513 1.336 298 1HB ARG 43 1HB ARG 43 96.977 10.581 4.320 299 2HB ARG 43 2HB ARG 43 98.301 9.967 3.330 300 1HG ARG 43 1HG ARG 43 97.262 12.367 2.138 301 2HG ARG 43 2HG ARG 43 97.634 12.675 3.835 302 1HD ARG 43 1HD ARG 43 99.557 12.986 2.149 303 2HD ARG 43 2HD ARG 43 99.910 11.973 3.554 304 HE ARG 43 HE ARG 43 98.830 10.316 1.542 305 1HH1 ARG 43 1HH1 ARG 43 101.486 12.462 1.872 306 2HH1 ARG 43 2HH1 ARG 43 102.602 11.428 1.044 307 1HH2 ARG 43 1HH2 ARG 43 100.307 8.868 0.593 308 2HH2 ARG 43 2HH2 ARG 43 101.934 9.394 0.319 309 H CYS 44 H CYS 44 95.357 8.460 3.924 310 HA CYS 44 HA CYS 44 96.741 6.071 3.348 311 1HB CYS 44 1HB CYS 44 93.893 6.486 4.306 312 2HB CYS 44 2HB CYS 44 94.870 5.043 4.576 313 H CYS 45 H CYS 45 93.673 7.346 2.073 314 HA CYS 45 HA CYS 45 93.013 5.136 0.378 315 1HB CYS 45 1HB CYS 45 92.440 8.112 0.330 316 2HB CYS 45 2HB CYS 45 91.703 6.991 -0.814 317 H GLN 46 H GLN 46 94.770 8.179 -0.288 318 HA GLN 46 HA GLN 46 95.356 7.799 -3.023 319 1HB GLN 46 1HB GLN 46 95.830 9.838 -1.740 320 2HB GLN 46 2HB GLN 46 97.016 8.971 -0.765 321 1HG GLN 46 1HG GLN 46 98.326 8.506 -2.838 322 2HG GLN 46 2HG GLN 46 97.178 9.488 -3.747 323 1HE2 GLN 46 2HE2 GLN 46 99.540 10.567 -4.010 324 2HE2 GLN 46 1HE2 GLN 46 99.832 11.843 -2.935 325 H THR 47 H THR 47 97.054 6.614 -0.136 326 HA THR 47 HA THR 47 99.203 5.317 -1.496 327 HB THR 47 HB THR 47 98.012 4.422 1.121 328 HG1 THR 47 HG1 THR 47 99.242 6.239 1.990 329 1HG2 THR 47 1HG2 THR 47 100.205 3.559 -0.078 330 2HG2 THR 47 2HG2 THR 47 100.896 5.037 0.594 331 3HG2 THR 47 3HG2 THR 47 100.188 3.827 1.665 332 H HIS 48 H HIS 48 95.933 4.295 -0.617 333 HA HIS 48 HA HIS 48 96.260 1.484 -1.131 334 1HB HIS 48 1HB HIS 48 94.395 2.645 0.114 335 2HB HIS 48 2HB HIS 48 93.797 3.233 -1.439 336 HD1 HIS 48 HD1 HIS 48 91.617 1.796 -1.218 337 HD2 HIS 48 HD2 HIS 48 95.133 -0.443 -1.277 338 HE1 HIS 48 HE1 HIS 48 90.927 -0.612 -1.595 339 H ASP 49 H ASP 49 94.885 4.103 -3.146 340 HA ASP 49 HA ASP 49 94.459 2.616 -5.500 341 1HB ASP 49 1HB ASP 49 95.023 5.475 -4.785 342 2HB ASP 49 2HB ASP 49 94.976 5.025 -6.489 343 H ASN 50 H ASN 50 97.349 4.270 -4.295 344 HA ASN 50 HA ASN 50 99.038 3.923 -6.542 345 1HB ASN 50 1HB ASN 50 99.280 4.408 -3.610 346 2HB ASN 50 2HB ASN 50 100.746 3.939 -4.470 347 1HD2 ASN 50 2HD2 ASN 50 98.154 6.400 -4.397 348 2HD2 ASN 50 1HD2 ASN 50 99.029 7.581 -5.246 349 H CYS 51 H CYS 51 98.099 1.739 -3.949 350 HA CYS 51 HA CYS 51 100.166 -0.242 -4.413 351 1HB CYS 51 1HB CYS 51 98.623 0.234 -2.371 352 2HB CYS 51 2HB CYS 51 97.429 -0.732 -3.238 353 H TYR 52 H TYR 52 96.858 0.259 -5.607 354 HA TYR 52 HA TYR 52 96.586 -2.275 -6.946 355 1HB TYR 52 1HB TYR 52 95.287 0.416 -6.938 356 2HB TYR 52 2HB TYR 52 94.925 -0.652 -8.294 357 HD1 TYR 52 HD1 TYR 52 95.048 -3.316 -7.027 358 HD2 TYR 52 HD2 TYR 52 93.356 0.360 -5.585 359 HE1 TYR 52 HE1 TYR 52 93.486 -4.599 -5.592 360 HE2 TYR 52 HE2 TYR 52 91.792 -0.923 -4.151 361 HH TYR 52 HH TYR 52 91.858 -4.493 -4.099 362 H LYS 53 H LYS 53 98.160 0.743 -7.782 363 HA LYS 53 HA LYS 53 98.391 0.214 -10.646 364 1HB LYS 53 1HB LYS 53 100.290 1.911 -9.029 365 2HB LYS 53 2HB LYS 53 99.652 2.209 -10.643 366 1HG LYS 53 1HG LYS 53 97.465 2.081 -8.798 367 2HG LYS 53 2HG LYS 53 98.671 3.196 -8.175 368 1HD LYS 53 1HD LYS 53 97.026 4.315 -9.682 369 2HD LYS 53 2HD LYS 53 98.683 4.430 -10.277 370 1HE LYS 53 1HE LYS 53 97.635 2.005 -11.317 371 2HE LYS 53 2HE LYS 53 96.404 3.253 -11.587 372 1HZ LYS 53 1HZ LYS 53 99.296 3.626 -12.157 373 2HZ LYS 53 2HZ LYS 53 98.154 3.181 -13.334 374 3HZ LYS 53 3HZ LYS 53 98.027 4.684 -12.557 375 H GLN 54 H GLN 54 100.601 0.114 -7.888 376 HA GLN 54 HA GLN 54 102.873 -1.004 -9.104 377 1HB GLN 54 1HB GLN 54 101.616 -0.997 -6.389 378 2HB GLN 54 2HB GLN 54 102.985 -2.078 -6.653 379 1HG GLN 54 1HG GLN 54 103.600 0.468 -7.818 380 2HG GLN 54 2HG GLN 54 103.051 0.724 -6.161 381 1HE2 GLN 54 2HE2 GLN 54 105.410 1.305 -5.752 382 2HE2 GLN 54 1HE2 GLN 54 106.510 0.045 -5.462 383 H ALA 55 H ALA 55 99.946 -2.556 -7.871 384 HA ALA 55 HA ALA 55 100.811 -5.285 -8.199 385 1HB ALA 55 1HB ALA 55 98.702 -3.953 -7.083 386 2HB ALA 55 2HB ALA 55 97.947 -4.605 -8.536 387 3HB ALA 55 3HB ALA 55 98.712 -5.691 -7.377 388 H LYS 56 H LYS 56 99.322 -2.918 -10.366 389 HA LYS 56 HA LYS 56 98.628 -4.765 -12.473 390 1HB LYS 56 1HB LYS 56 98.972 -1.816 -12.088 391 2HB LYS 56 2HB LYS 56 98.896 -2.423 -13.743 392 1HG LYS 56 1HG LYS 56 96.724 -3.285 -13.459 393 2HG LYS 56 2HG LYS 56 96.851 -3.274 -11.700 394 1HD LYS 56 1HD LYS 56 96.351 -1.042 -11.539 395 2HD LYS 56 2HD LYS 56 97.138 -0.648 -13.066 396 1HE LYS 56 1HE LYS 56 94.965 -2.328 -13.745 397 2HE LYS 56 2HE LYS 56 94.335 -1.150 -12.576 398 1HZ LYS 56 1HZ LYS 56 95.899 0.427 -13.993 399 2HZ LYS 56 2HZ LYS 56 95.520 -0.700 -15.206 400 3HZ LYS 56 3HZ LYS 56 94.280 0.152 -14.416 401 H LYS 57 H LYS 57 101.406 -2.542 -12.047 402 HA LYS 57 HA LYS 57 102.834 -3.301 -14.369 403 1HB LYS 57 1HB LYS 57 103.125 -1.678 -12.040 404 2HB LYS 57 2HB LYS 57 104.596 -2.637 -12.212 405 1HG LYS 57 1HG LYS 57 103.354 -1.074 -14.488 406 2HG LYS 57 2HG LYS 57 104.633 -0.435 -13.454 407 1HD LYS 57 1HD LYS 57 104.972 -3.103 -14.804 408 2HD LYS 57 2HD LYS 57 105.299 -1.612 -15.689 409 1HE LYS 57 1HE LYS 57 106.609 -2.489 -13.088 410 2HE LYS 57 2HE LYS 57 107.387 -2.344 -14.677 411 1HZ LYS 57 1HZ LYS 57 106.319 0.040 -14.541 412 2HZ LYS 57 2HZ LYS 57 106.453 -0.237 -12.870 413 3HZ LYS 57 3HZ LYS 57 107.838 -0.281 -13.848 414 H LEU 58 H LEU 58 102.636 -4.755 -11.164 415 HA LEU 58 HA LEU 58 104.853 -6.400 -11.021 416 1HB LEU 58 1HB LEU 58 102.067 -6.395 -10.104 417 2HB LEU 58 2HB LEU 58 102.755 -8.017 -10.200 418 HG LEU 58 HG LEU 58 104.379 -5.831 -8.946 419 1HD1 LEU 58 1HD1 LEU 58 101.807 -6.854 -7.962 420 2HD1 LEU 58 2HD1 LEU 58 103.126 -7.058 -6.810 421 3HD1 LEU 58 3HD1 LEU 58 102.737 -5.453 -7.429 422 1HD2 LEU 58 1HD2 LEU 58 104.121 -8.829 -8.766 423 2HD2 LEU 58 2HD2 LEU 58 105.552 -7.865 -9.132 424 3HD2 LEU 58 3HD2 LEU 58 104.923 -7.922 -7.485 425 H ASP 59 H ASP 59 105.697 -7.828 -12.493 426 HA ASP 59 HA ASP 59 104.548 -8.650 -14.913 427 1HB ASP 59 1HB ASP 59 106.878 -8.973 -14.484 428 2HB ASP 59 2HB ASP 59 106.551 -9.916 -13.028 429 H SER 60 H SER 60 104.683 -10.596 -11.899 430 HA SER 60 HA SER 60 103.188 -12.806 -12.626 431 1HB SER 60 1HB SER 60 102.288 -12.267 -10.091 432 2HB SER 60 2HB SER 60 103.861 -12.971 -10.452 433 HG SER 60 HG SER 60 103.635 -10.900 -9.121 434 H CYS 61 H CYS 61 101.968 -9.587 -11.745 435 HA CYS 61 HA CYS 61 99.156 -10.411 -12.040 436 1HB CYS 61 1HB CYS 61 100.558 -7.759 -11.573 437 2HB CYS 61 2HB CYS 61 98.812 -7.988 -11.495 438 H LYS 62 H LYS 62 101.599 -8.604 -13.873 439 HA LYS 62 HA LYS 62 99.738 -7.690 -15.925 440 1HB LYS 62 1HB LYS 62 101.741 -6.441 -15.425 441 2HB LYS 62 2HB LYS 62 102.754 -7.864 -15.671 442 1HG LYS 62 1HG LYS 62 101.034 -7.189 -17.969 443 2HG LYS 62 2HG LYS 62 102.256 -5.974 -17.593 444 1HD LYS 62 1HD LYS 62 102.870 -8.927 -17.874 445 2HD LYS 62 2HD LYS 62 103.033 -7.769 -19.194 446 1HE LYS 62 1HE LYS 62 104.732 -6.533 -18.023 447 2HE LYS 62 2HE LYS 62 104.424 -7.424 -16.518 448 1HZ LYS 62 1HZ LYS 62 105.239 -8.721 -19.060 449 2HZ LYS 62 2HZ LYS 62 106.336 -8.291 -17.841 450 3HZ LYS 62 3HZ LYS 62 105.128 -9.442 -17.526 451 H VAL 63 H VAL 63 100.770 -10.737 -15.200 452 HA VAL 63 HA VAL 63 100.816 -11.577 -18.081 453 HB VAL 63 HB VAL 63 102.928 -11.853 -16.739 454 1HG1 VAL 63 1HG1 VAL 63 101.079 -12.788 -14.802 455 2HG1 VAL 63 2HG1 VAL 63 102.079 -14.169 -15.253 456 3HG1 VAL 63 3HG1 VAL 63 102.834 -12.691 -14.653 457 1HG2 VAL 63 1HG2 VAL 63 102.077 -13.425 -18.634 458 2HG2 VAL 63 2HG2 VAL 63 103.401 -13.990 -17.615 459 3HG2 VAL 63 3HG2 VAL 63 101.759 -14.569 -17.330 460 H LEU 64 H LEU 64 98.686 -11.337 -15.711 461 HA LEU 64 HA LEU 64 97.641 -14.135 -15.917 462 1HB LEU 64 1HB LEU 64 97.386 -11.863 -13.951 463 2HB LEU 64 2HB LEU 64 96.207 -13.175 -13.953 464 HG LEU 64 HG LEU 64 99.153 -13.790 -13.929 465 1HD1 LEU 64 1HD1 LEU 64 98.426 -12.153 -12.048 466 2HD1 LEU 64 2HD1 LEU 64 97.530 -13.527 -11.402 467 3HD1 LEU 64 3HD1 LEU 64 99.282 -13.622 -11.582 468 1HD2 LEU 64 1HD2 LEU 64 96.791 -15.299 -14.007 469 2HD2 LEU 64 2HD2 LEU 64 98.410 -15.906 -13.661 470 3HD2 LEU 64 3HD2 LEU 64 97.346 -15.426 -12.338 471 H VAL 65 H VAL 65 96.028 -10.987 -15.396 472 HA VAL 65 HA VAL 65 94.552 -11.245 -17.896 473 HB VAL 65 HB VAL 65 93.336 -11.440 -15.151 474 1HG1 VAL 65 1HG1 VAL 65 92.129 -10.950 -17.861 475 2HG1 VAL 65 2HG1 VAL 65 91.209 -11.839 -16.648 476 3HG1 VAL 65 3HG1 VAL 65 91.738 -10.190 -16.318 477 1HG2 VAL 65 1HG2 VAL 65 93.673 -13.371 -17.447 478 2HG2 VAL 65 2HG2 VAL 65 94.114 -13.592 -15.754 479 3HG2 VAL 65 3HG2 VAL 65 92.416 -13.613 -16.233 480 H ASP 66 H ASP 66 96.297 -9.398 -16.339 481 HA ASP 66 HA ASP 66 96.417 -7.091 -15.735 482 1HB ASP 66 1HB ASP 66 94.801 -7.313 -18.285 483 2HB ASP 66 2HB ASP 66 95.350 -5.759 -17.655 484 H ASN 67 H ASN 67 94.712 -8.006 -13.927 485 HA ASN 67 HA ASN 67 92.835 -5.863 -13.478 486 1HB ASN 67 1HB ASN 67 91.881 -7.415 -15.373 487 2HB ASN 67 2HB ASN 67 91.502 -8.506 -14.037 488 1HD2 ASN 67 2HD2 ASN 67 89.318 -7.481 -15.385 489 2HD2 ASN 67 1HD2 ASN 67 88.546 -6.288 -14.457 490 HA PRO 68 HA PRO 68 94.026 -8.299 -9.793 491 1HB PRO 68 1HB PRO 68 94.406 -6.122 -8.181 492 2HB PRO 68 2HB PRO 68 95.658 -6.746 -9.273 493 1HG PRO 68 1HG PRO 68 93.848 -4.413 -9.607 494 2HG PRO 68 2HG PRO 68 95.540 -4.608 -10.087 495 1HD PRO 68 1HD PRO 68 93.422 -4.798 -11.816 496 2HD PRO 68 2HD PRO 68 94.994 -5.583 -12.076 497 H TYR 69 H TYR 69 91.563 -5.960 -10.474 498 HA TYR 69 HA TYR 69 90.165 -5.941 -7.970 499 1HB TYR 69 1HB TYR 69 89.745 -5.199 -10.794 500 2HB TYR 69 2HB TYR 69 88.260 -5.585 -9.922 501 HD1 TYR 69 HD1 TYR 69 87.773 -4.395 -7.727 502 HD2 TYR 69 HD2 TYR 69 90.921 -3.160 -10.375 503 HE1 TYR 69 HE1 TYR 69 87.859 -2.190 -6.595 504 HE2 TYR 69 HE2 TYR 69 91.008 -0.955 -9.244 505 HH TYR 69 HH TYR 69 89.356 -0.348 -6.277 506 H THR 70 H THR 70 89.381 -7.770 -10.958 507 HA THR 70 HA THR 70 87.349 -9.392 -9.921 508 HB THR 70 HB THR 70 88.081 -9.135 -12.301 509 HG1 THR 70 HG1 THR 70 86.875 -11.013 -11.387 510 1HG2 THR 70 1HG2 THR 70 90.572 -9.691 -11.351 511 2HG2 THR 70 2HG2 THR 70 90.112 -11.264 -12.001 512 3HG2 THR 70 3HG2 THR 70 90.113 -9.844 -13.047 513 H ASN 71 H ASN 71 90.788 -9.543 -9.405 514 HA ASN 71 HA ASN 71 91.110 -12.269 -8.646 515 1HB ASN 71 1HB ASN 71 92.875 -10.530 -9.070 516 2HB ASN 71 2HB ASN 71 92.462 -9.797 -7.519 517 1HD2 ASN 71 2HD2 ASN 71 92.869 -11.113 -5.546 518 2HD2 ASN 71 1HD2 ASN 71 94.005 -12.374 -5.587 519 H ASN 72 H ASN 72 89.204 -12.834 -7.375 520 HA ASN 72 HA ASN 72 88.484 -11.423 -4.949 521 1HB ASN 72 1HB ASN 72 87.932 -14.291 -5.770 522 2HB ASN 72 2HB ASN 72 86.969 -13.298 -4.675 523 1HD2 ASN 72 2HD2 ASN 72 87.577 -14.038 -8.031 524 2HD2 ASN 72 1HD2 ASN 72 86.445 -12.955 -8.683 525 H TYR 73 H TYR 73 90.682 -11.320 -3.933 526 HA TYR 73 HA TYR 73 92.094 -13.712 -3.136 527 1HB TYR 73 1HB TYR 73 93.388 -12.123 -1.805 528 2HB TYR 73 2HB TYR 73 93.025 -11.397 -3.371 529 HD1 TYR 73 HD1 TYR 73 91.892 -11.551 0.181 530 HD2 TYR 73 HD2 TYR 73 91.783 -9.384 -3.526 531 HE1 TYR 73 HE1 TYR 73 90.762 -9.659 1.320 532 HE2 TYR 73 HE2 TYR 73 90.654 -7.493 -2.388 533 HH TYR 73 HH TYR 73 90.618 -6.659 0.190 534 H SER 74 H SER 74 92.287 -14.470 -0.867 535 HA SER 74 HA SER 74 89.698 -14.170 0.612 536 1HB SER 74 1HB SER 74 91.272 -16.379 -0.288 537 2HB SER 74 2HB SER 74 91.287 -16.393 1.473 538 HG SER 74 HG SER 74 89.077 -16.455 1.480 539 H TYR 75 H TYR 75 89.911 -14.323 3.021 540 HA TYR 75 HA TYR 75 92.423 -13.983 4.377 541 1HB TYR 75 1HB TYR 75 92.472 -11.608 4.649 542 2HB TYR 75 2HB TYR 75 92.154 -11.871 2.935 543 HD1 TYR 75 HD1 TYR 75 90.658 -10.879 6.172 544 HD2 TYR 75 HD2 TYR 75 89.980 -11.355 1.958 545 HE1 TYR 75 HE1 TYR 75 88.540 -9.604 6.370 546 HE2 TYR 75 HE2 TYR 75 87.862 -10.078 2.155 547 HH TYR 75 HH TYR 75 86.755 -8.565 3.566 548 H SER 76 H SER 76 92.005 -13.138 6.685 549 HA SER 76 HA SER 76 89.171 -13.569 7.539 550 1HB SER 76 1HB SER 76 91.141 -15.478 7.703 551 2HB SER 76 2HB SER 76 91.285 -14.694 9.273 552 HG SER 76 HG SER 76 89.717 -16.141 9.604 553 H CYS 77 H CYS 77 89.215 -13.093 10.123 554 HA CYS 77 HA CYS 77 90.927 -10.671 10.564 555 1HB CYS 77 1HB CYS 77 88.756 -9.883 9.972 556 2HB CYS 77 2HB CYS 77 87.970 -11.103 10.962 557 H SER 78 H SER 78 91.070 -10.117 12.869 558 HA SER 78 HA SER 78 90.266 -11.612 15.092 559 1HB SER 78 1HB SER 78 92.055 -13.048 13.339 560 2HB SER 78 2HB SER 78 92.841 -12.801 14.895 561 HG SER 78 HG SER 78 90.192 -13.515 15.069 562 H ASN 79 H ASN 79 91.186 -10.728 16.967 563 HA ASN 79 HA ASN 79 92.365 -9.091 18.207 564 1HB ASN 79 1HB ASN 79 94.521 -10.128 16.333 565 2HB ASN 79 2HB ASN 79 94.807 -9.313 17.871 566 1HD2 ASN 79 2HD2 ASN 79 95.551 -12.113 17.150 567 2HD2 ASN 79 1HD2 ASN 79 94.756 -13.109 18.272 568 H ASN 80 H ASN 80 90.899 -7.824 16.275 569 HA ASN 80 HA ASN 80 90.800 -5.995 14.817 570 1HB ASN 80 1HB ASN 80 93.023 -5.109 16.651 571 2HB ASN 80 2HB ASN 80 91.814 -4.107 15.881 572 1HD2 ASN 80 2HD2 ASN 80 89.465 -5.129 16.419 573 2HD2 ASN 80 1HD2 ASN 80 89.252 -5.401 18.065 574 H GLU 81 H GLU 81 92.487 -8.099 13.928 575 HA GLU 81 HA GLU 81 94.428 -6.556 12.309 576 1HB GLU 81 1HB GLU 81 94.778 -9.105 13.867 577 2HB GLU 81 2HB GLU 81 95.846 -8.711 12.519 578 1HG GLU 81 1HG GLU 81 95.663 -6.353 14.032 579 2HG GLU 81 2HG GLU 81 95.844 -7.649 15.206 580 H ILE 82 H ILE 82 94.841 -7.494 10.203 581 HA ILE 82 HA ILE 82 92.524 -9.066 9.200 582 HB ILE 82 HB ILE 82 94.714 -7.390 7.958 583 1HG1 ILE 82 1HG1 ILE 82 91.898 -6.901 7.292 584 2HG1 ILE 82 2HG1 ILE 82 92.223 -6.768 9.020 585 1HG2 ILE 82 1HG2 ILE 82 94.296 -9.352 6.513 586 2HG2 ILE 82 2HG2 ILE 82 92.566 -9.010 6.551 587 3HG2 ILE 82 3HG2 ILE 82 93.672 -7.878 5.773 588 1HD1 ILE 82 1HD1 ILE 82 94.236 -5.312 8.363 589 2HD1 ILE 82 2HD1 ILE 82 93.506 -5.230 6.759 590 3HD1 ILE 82 3HD1 ILE 82 92.638 -4.594 8.157 591 H THR 83 H THR 83 92.766 -11.085 8.247 592 HA THR 83 HA THR 83 95.493 -12.329 8.409 593 HB THR 83 HB THR 83 92.690 -13.235 9.010 594 HG1 THR 83 HG1 THR 83 95.197 -13.158 10.238 595 1HG2 THR 83 1HG2 THR 83 94.903 -14.895 7.885 596 2HG2 THR 83 2HG2 THR 83 93.932 -15.585 9.186 597 3HG2 THR 83 3HG2 THR 83 93.159 -15.068 7.688 598 H CYS 84 H CYS 84 95.956 -11.690 6.163 599 HA CYS 84 HA CYS 84 94.188 -12.428 3.980 600 1HB CYS 84 1HB CYS 84 96.962 -11.384 4.381 601 2HB CYS 84 2HB CYS 84 96.564 -12.059 2.801 602 H SER 85 H SER 85 93.952 -14.464 3.145 603 HA SER 85 HA SER 85 95.172 -16.801 4.113 604 1HB SER 85 1HB SER 85 93.158 -16.748 2.732 605 2HB SER 85 2HB SER 85 94.072 -16.108 1.369 606 HG SER 85 HG SER 85 94.292 -18.655 2.604 607 H SER 86 H SER 86 97.130 -17.812 3.701 608 HA SER 86 HA SER 86 99.240 -16.345 2.358 609 1HB SER 86 1HB SER 86 100.592 -18.076 3.205 610 2HB SER 86 2HB SER 86 99.244 -18.052 4.340 611 HG SER 86 HG SER 86 99.762 -20.166 3.542 612 H GLU 87 H GLU 87 96.869 -18.650 1.313 613 HA GLU 87 HA GLU 87 98.150 -19.954 -0.839 614 1HB GLU 87 1HB GLU 87 95.373 -19.013 -0.189 615 2HB GLU 87 2HB GLU 87 95.685 -19.701 -1.784 616 1HG GLU 87 1HG GLU 87 96.656 -21.718 -0.692 617 2HG GLU 87 2HG GLU 87 96.239 -21.039 0.881 618 H ASN 88 H ASN 88 97.063 -16.637 -0.514 619 HA ASN 88 HA ASN 88 96.893 -15.818 -3.197 620 1HB ASN 88 1HB ASN 88 97.968 -14.373 -0.756 621 2HB ASN 88 2HB ASN 88 97.413 -13.587 -2.233 622 1HD2 ASN 88 2HD2 ASN 88 96.230 -13.349 0.506 623 2HD2 ASN 88 1HD2 ASN 88 94.621 -13.868 0.358 624 H ASN 89 H ASN 89 98.448 -15.972 -4.774 625 HA ASN 89 HA ASN 89 101.236 -16.507 -4.162 626 1HB ASN 89 1HB ASN 89 101.419 -16.336 -6.654 627 2HB ASN 89 2HB ASN 89 100.101 -17.388 -6.141 628 1HD2 ASN 89 2HD2 ASN 89 100.066 -16.120 -8.711 629 2HD2 ASN 89 1HD2 ASN 89 98.809 -14.979 -8.728 630 H ALA 90 H ALA 90 102.800 -15.000 -5.689 631 HA ALA 90 HA ALA 90 103.302 -12.618 -4.357 632 1HB ALA 90 1HB ALA 90 104.187 -14.018 -6.646 633 2HB ALA 90 2HB ALA 90 103.887 -12.363 -7.177 634 3HB ALA 90 3HB ALA 90 105.000 -12.674 -5.845 635 H CYS 91 H CYS 91 101.110 -13.142 -7.104 636 HA CYS 91 HA CYS 91 100.475 -10.300 -7.401 637 1HB CYS 91 1HB CYS 91 100.477 -12.141 -9.175 638 2HB CYS 91 2HB CYS 91 98.982 -12.723 -8.442 639 H GLU 92 H GLU 92 98.571 -13.164 -6.353 640 HA GLU 92 HA GLU 92 96.289 -11.697 -5.459 641 1HB GLU 92 1HB GLU 92 97.485 -14.369 -4.658 642 2HB GLU 92 2HB GLU 92 95.868 -13.839 -4.192 643 1HG GLU 92 1HG GLU 92 95.180 -13.690 -6.508 644 2HG GLU 92 2HG GLU 92 96.822 -14.013 -7.062 645 H ALA 93 H ALA 93 99.271 -12.668 -3.787 646 HA ALA 93 HA ALA 93 98.448 -11.838 -1.151 647 1HB ALA 93 1HB ALA 93 100.453 -13.295 -2.147 648 2HB ALA 93 2HB ALA 93 101.300 -11.750 -2.059 649 3HB ALA 93 3HB ALA 93 100.614 -12.466 -0.600 650 H PHE 94 H PHE 94 99.905 -10.160 -3.897 651 HA PHE 94 HA PHE 94 100.714 -7.780 -2.486 652 1HB PHE 94 1HB PHE 94 101.364 -8.682 -4.807 653 2HB PHE 94 2HB PHE 94 99.843 -7.990 -5.375 654 HD1 PHE 94 HD1 PHE 94 103.117 -7.204 -3.814 655 HD2 PHE 94 HD2 PHE 94 99.563 -5.618 -5.630 656 HE1 PHE 94 HE1 PHE 94 104.183 -4.969 -3.948 657 HE2 PHE 94 HE2 PHE 94 100.630 -3.382 -5.765 658 HZ PHE 94 HZ PHE 94 102.940 -3.058 -4.924 659 H ILE 95 H ILE 95 97.736 -8.649 -4.262 660 HA ILE 95 HA ILE 95 96.442 -6.100 -3.989 661 HB ILE 95 HB ILE 95 95.298 -8.902 -4.233 662 1HG1 ILE 95 1HG1 ILE 95 96.902 -8.560 -5.996 663 2HG1 ILE 95 2HG1 ILE 95 95.306 -8.299 -6.700 664 1HG2 ILE 95 1HG2 ILE 95 94.080 -6.305 -4.052 665 2HG2 ILE 95 2HG2 ILE 95 93.823 -6.947 -5.673 666 3HG2 ILE 95 3HG2 ILE 95 93.298 -7.871 -4.267 667 1HD1 ILE 95 1HD1 ILE 95 95.742 -5.792 -5.987 668 2HD1 ILE 95 2HD1 ILE 95 97.433 -6.292 -6.033 669 3HD1 ILE 95 3HD1 ILE 95 96.436 -6.422 -7.482 670 H CYS 96 H CYS 96 96.466 -9.020 -1.950 671 HA CYS 96 HA CYS 96 94.440 -8.225 -0.094 672 1HB CYS 96 1HB CYS 96 95.958 -10.420 -0.557 673 2HB CYS 96 2HB CYS 96 96.812 -9.763 0.839 674 H ASN 97 H ASN 97 97.904 -7.507 -0.292 675 HA ASN 97 HA ASN 97 98.088 -6.267 2.327 676 1HB ASN 97 1HB ASN 97 99.745 -6.456 -0.177 677 2HB ASN 97 2HB ASN 97 100.234 -5.354 1.108 678 1HD2 ASN 97 2HD2 ASN 97 102.054 -7.252 0.797 679 2HD2 ASN 97 1HD2 ASN 97 101.912 -8.496 1.938 680 H CYS 98 H CYS 98 97.261 -5.150 -0.915 681 HA CYS 98 HA CYS 98 97.586 -2.328 -0.460 682 1HB CYS 98 1HB CYS 98 95.769 -3.918 -2.304 683 2HB CYS 98 2HB CYS 98 96.110 -2.197 -2.471 684 H ASP 99 H ASP 99 94.710 -4.455 -0.294 685 HA ASP 99 HA ASP 99 92.899 -2.409 0.622 686 1HB ASP 99 1HB ASP 99 92.925 -5.436 0.857 687 2HB ASP 99 2HB ASP 99 91.521 -4.429 1.207 688 H ARG 100 H ARG 100 94.892 -4.833 2.310 689 HA ARG 100 HA ARG 100 93.934 -4.255 4.962 690 1HB ARG 100 1HB ARG 100 95.272 -6.250 3.977 691 2HB ARG 100 2HB ARG 100 96.694 -5.238 4.235 692 1HG ARG 100 1HG ARG 100 95.359 -4.988 6.632 693 2HG ARG 100 2HG ARG 100 95.033 -6.666 6.196 694 1HD ARG 100 1HD ARG 100 97.836 -5.696 5.844 695 2HD ARG 100 2HD ARG 100 97.273 -5.999 7.496 696 HE ARG 100 HE ARG 100 96.425 -8.144 5.877 697 1HH1 ARG 100 1HH1 ARG 100 98.956 -6.971 7.813 698 2HH1 ARG 100 2HH1 ARG 100 100.000 -8.327 7.542 699 1HH2 ARG 100 1HH2 ARG 100 97.909 -9.804 5.202 700 2HH2 ARG 100 2HH2 ARG 100 99.407 -9.931 6.062 701 H ASN 101 H ASN 101 96.855 -3.163 3.189 702 HA ASN 101 HA ASN 101 97.981 -1.525 5.195 703 1HB ASN 101 1HB ASN 101 97.969 -1.664 2.209 704 2HB ASN 101 2HB ASN 101 98.647 -0.214 2.948 705 1HD2 ASN 101 2HD2 ASN 101 100.601 -1.440 1.749 706 2HD2 ASN 101 1HD2 ASN 101 101.513 -2.446 2.760 707 H ALA 102 H ALA 102 95.203 -0.996 3.123 708 HA ALA 102 HA ALA 102 95.006 1.875 3.628 709 1HB ALA 102 1HB ALA 102 94.126 0.408 1.666 710 2HB ALA 102 2HB ALA 102 92.792 0.018 2.751 711 3HB ALA 102 3HB ALA 102 93.074 1.690 2.268 712 H ALA 103 H ALA 103 93.413 -1.061 4.882 713 HA ALA 103 HA ALA 103 91.605 0.308 6.662 714 1HB ALA 103 1HB ALA 103 92.795 -2.488 6.694 715 2HB ALA 103 2HB ALA 103 91.377 -1.981 7.611 716 3HB ALA 103 3HB ALA 103 91.325 -2.004 5.848 717 H ILE 104 H ILE 104 94.931 -0.862 6.977 718 HA ILE 104 HA ILE 104 95.118 -0.578 9.845 719 HB ILE 104 HB ILE 104 97.168 -0.557 7.606 720 1HG1 ILE 104 1HG1 ILE 104 96.500 -2.818 9.494 721 2HG1 ILE 104 2HG1 ILE 104 95.605 -2.589 7.992 722 1HG2 ILE 104 1HG2 ILE 104 97.498 -0.925 10.599 723 2HG2 ILE 104 2HG2 ILE 104 98.768 -1.199 9.405 724 3HG2 ILE 104 3HG2 ILE 104 98.111 0.421 9.640 725 1HD1 ILE 104 1HD1 ILE 104 97.833 -2.577 6.784 726 2HD1 ILE 104 2HD1 ILE 104 98.578 -3.078 8.302 727 3HD1 ILE 104 3HD1 ILE 104 97.396 -4.123 7.512 728 H CYS 105 H CYS 105 95.683 1.607 7.106 729 HA CYS 105 HA CYS 105 96.979 3.715 8.568 730 1HB CYS 105 1HB CYS 105 96.697 3.242 6.020 731 2HB CYS 105 2HB CYS 105 95.159 4.089 6.190 732 H PHE 106 H PHE 106 93.551 3.180 7.685 733 HA PHE 106 HA PHE 106 92.396 5.489 8.759 734 1HB PHE 106 1HB PHE 106 91.330 2.659 8.962 735 2HB PHE 106 2HB PHE 106 90.386 4.139 8.834 736 HD1 PHE 106 HD1 PHE 106 92.695 5.201 6.773 737 HD2 PHE 106 HD2 PHE 106 89.997 1.863 6.952 738 HE1 PHE 106 HE1 PHE 106 92.753 5.018 4.300 739 HE2 PHE 106 HE2 PHE 106 90.059 1.680 4.480 740 HZ PHE 106 HZ PHE 106 91.437 3.258 3.153 741 H SER 107 H SER 107 93.251 2.443 10.341 742 HA SER 107 HA SER 107 92.382 3.321 12.996 743 1HB SER 107 1HB SER 107 93.426 1.123 13.615 744 2HB SER 107 2HB SER 107 92.276 0.986 12.288 745 HG SER 107 HG SER 107 95.083 1.307 11.985 746 H LYS 108 H LYS 108 95.084 4.005 11.090 747 HA LYS 108 HA LYS 108 96.947 4.235 13.409 748 1HB LYS 108 1HB LYS 108 97.177 4.337 10.396 749 2HB LYS 108 2HB LYS 108 98.514 4.828 11.435 750 1HG LYS 108 1HG LYS 108 97.189 2.202 11.984 751 2HG LYS 108 2HG LYS 108 98.289 2.314 10.610 752 1HD LYS 108 1HD LYS 108 100.125 2.899 11.970 753 2HD LYS 108 2HD LYS 108 99.089 3.357 13.322 754 1HE LYS 108 1HE LYS 108 98.928 0.525 12.364 755 2HE LYS 108 2HE LYS 108 100.349 1.004 13.315 756 1HZ LYS 108 1HZ LYS 108 97.796 2.018 14.254 757 2HZ LYS 108 2HZ LYS 108 98.011 0.343 14.418 758 3HZ LYS 108 3HZ LYS 108 99.116 1.414 15.137 759 H VAL 109 H VAL 109 94.815 6.098 11.468 760 HA VAL 109 HA VAL 109 96.013 8.629 12.546 761 HB VAL 109 HB VAL 109 95.397 9.659 10.405 762 1HG1 VAL 109 1HG1 VAL 109 97.373 7.681 10.772 763 2HG1 VAL 109 2HG1 VAL 109 96.657 7.350 9.194 764 3HG1 VAL 109 3HG1 VAL 109 97.346 8.937 9.534 765 1HG2 VAL 109 1HG2 VAL 109 93.838 7.188 10.186 766 2HG2 VAL 109 2HG2 VAL 109 93.618 8.730 9.358 767 3HG2 VAL 109 3HG2 VAL 109 94.758 7.544 8.723 768 HA PRO 110 HA PRO 110 91.989 9.457 14.091 769 1HB PRO 110 1HB PRO 110 91.879 12.184 13.884 770 2HB PRO 110 2HB PRO 110 92.868 11.343 15.095 771 1HG PRO 110 1HG PRO 110 93.682 12.588 12.521 772 2HG PRO 110 2HG PRO 110 94.531 12.546 14.073 773 1HD PRO 110 1HD PRO 110 95.153 10.929 11.957 774 2HD PRO 110 2HD PRO 110 95.467 10.504 13.653 775 H TYR 111 H TYR 111 89.835 10.258 13.435 776 HA TYR 111 HA TYR 111 89.564 10.428 10.455 777 1HB TYR 111 1HB TYR 111 88.466 8.504 11.322 778 2HB TYR 111 2HB TYR 111 87.842 9.390 12.713 779 HD1 TYR 111 HD1 TYR 111 87.483 8.831 9.074 780 HD2 TYR 111 HD2 TYR 111 85.870 10.784 12.543 781 HE1 TYR 111 HE1 TYR 111 85.415 9.365 7.812 782 HE2 TYR 111 HE2 TYR 111 83.803 11.318 11.281 783 HH TYR 111 HH TYR 111 83.501 11.448 8.221 784 H ASN 112 H ASN 112 89.413 12.601 9.936 785 HA ASN 112 HA ASN 112 87.922 14.436 11.739 786 1HB ASN 112 1HB ASN 112 89.620 14.832 9.252 787 2HB ASN 112 2HB ASN 112 88.938 16.142 10.218 788 1HD2 ASN 112 2HD2 ASN 112 91.261 13.429 10.333 789 2HD2 ASN 112 1HD2 ASN 112 92.133 14.021 11.665 790 H LYS 113 H LYS 113 85.759 14.666 11.328 791 HA LYS 113 HA LYS 113 84.594 13.889 8.752 792 1HB LYS 113 1HB LYS 113 82.507 14.371 9.917 793 2HB LYS 113 2HB LYS 113 83.582 13.517 11.025 794 1HG LYS 113 1HG LYS 113 83.246 15.224 12.466 795 2HG LYS 113 2HG LYS 113 84.248 16.198 11.388 796 1HD LYS 113 1HD LYS 113 82.057 16.575 10.046 797 2HD LYS 113 2HD LYS 113 81.242 16.017 11.507 798 1HE LYS 113 1HE LYS 113 82.575 17.767 12.792 799 2HE LYS 113 2HE LYS 113 83.062 18.425 11.216 800 1HZ LYS 113 1HZ LYS 113 80.680 18.473 10.608 801 2HZ LYS 113 2HZ LYS 113 80.285 18.025 12.196 802 3HZ LYS 113 3HZ LYS 113 81.053 19.511 11.901 803 H GLU 114 H GLU 114 86.073 16.696 9.916 804 HA GLU 114 HA GLU 114 84.392 18.704 8.731 805 1HB GLU 114 1HB GLU 114 87.348 18.772 9.392 806 2HB GLU 114 2HB GLU 114 86.259 20.156 9.291 807 1HG GLU 114 1HG GLU 114 84.906 19.122 11.154 808 2HG GLU 114 2HG GLU 114 86.182 17.916 11.329 809 H HIS 115 H HIS 115 87.261 16.909 7.672 810 HA HIS 115 HA HIS 115 87.456 18.346 5.126 811 1HB HIS 115 1HB HIS 115 88.746 15.866 6.306 812 2HB HIS 115 2HB HIS 115 89.207 16.560 4.753 813 HD1 HIS 115 HD1 HIS 115 91.588 16.902 6.062 814 HD2 HIS 115 HD2 HIS 115 88.423 19.320 7.292 815 HE1 HIS 115 HE1 HIS 115 92.614 18.815 7.366 816 H LYS 116 H LYS 116 85.194 16.237 6.205 817 HA LYS 116 HA LYS 116 85.071 14.238 4.145 818 1HB LYS 116 1HB LYS 116 83.992 14.597 6.551 819 2HB LYS 116 2HB LYS 116 82.678 15.286 5.599 820 1HG LYS 116 1HG LYS 116 83.668 12.802 4.446 821 2HG LYS 116 2HG LYS 116 83.099 12.578 6.101 822 1HD LYS 116 1HD LYS 116 81.272 14.301 4.697 823 2HD LYS 116 2HD LYS 116 81.525 12.831 3.756 824 1HE LYS 116 1HE LYS 116 80.871 11.431 5.604 825 2HE LYS 116 2HE LYS 116 80.879 12.809 6.723 826 1HZ LYS 116 1HZ LYS 116 79.278 13.021 4.280 827 2HZ LYS 116 2HZ LYS 116 78.673 12.049 5.531 828 3HZ LYS 116 3HZ LYS 116 79.001 13.691 5.817 829 H ASN 117 H ASN 117 83.362 14.149 2.462 830 HA ASN 117 HA ASN 117 82.448 15.115 0.492 831 1HB ASN 117 1HB ASN 117 81.348 16.468 2.929 832 2HB ASN 117 2HB ASN 117 80.870 17.083 1.347 833 1HD2 ASN 117 2HD2 ASN 117 79.618 15.179 3.619 834 2HD2 ASN 117 1HD2 ASN 117 78.872 13.980 2.678 835 H LEU 118 H LEU 118 84.982 15.954 0.384 836 HA LEU 118 HA LEU 118 85.298 18.803 0.626 837 1HB LEU 118 1HB LEU 118 87.201 17.534 1.052 838 2HB LEU 118 2HB LEU 118 86.805 16.378 -0.201 839 HG LEU 118 HG LEU 118 87.267 18.198 -1.876 840 1HD1 LEU 118 1HD1 LEU 118 87.274 19.893 0.199 841 2HD1 LEU 118 2HD1 LEU 118 88.988 19.477 0.209 842 3HD1 LEU 118 3HD1 LEU 118 88.262 20.193 -1.231 843 1HD2 LEU 118 1HD2 LEU 118 88.985 16.426 -0.471 844 2HD2 LEU 118 2HD2 LEU 118 89.186 17.047 -2.109 845 3HD2 LEU 118 3HD2 LEU 118 89.888 17.916 -0.744 846 H ASP 119 H ASP 119 86.081 19.997 -1.361 847 HA ASP 119 HA ASP 119 84.232 19.495 -3.633 848 1HB ASP 119 1HB ASP 119 84.552 21.700 -2.314 849 2HB ASP 119 2HB ASP 119 86.062 21.859 -3.211 850 H LYS 120 H LYS 120 85.052 18.421 -5.393 851 HA LYS 120 HA LYS 120 87.737 17.681 -5.790 852 1HB LYS 120 1HB LYS 120 85.416 18.108 -7.689 853 2HB LYS 120 2HB LYS 120 86.915 17.309 -8.161 854 1HG LYS 120 1HG LYS 120 86.554 15.705 -6.235 855 2HG LYS 120 2HG LYS 120 84.952 16.417 -6.035 856 1HD LYS 120 1HD LYS 120 84.534 14.579 -7.443 857 2HD LYS 120 2HD LYS 120 84.671 15.924 -8.578 858 1HE LYS 120 1HE LYS 120 86.725 15.212 -9.387 859 2HE LYS 120 2HE LYS 120 87.169 14.427 -7.859 860 1HZ LYS 120 1HZ LYS 120 84.944 13.512 -9.600 861 2HZ LYS 120 2HZ LYS 120 86.505 12.845 -9.647 862 3HZ LYS 120 3HZ LYS 120 85.572 12.719 -8.236 863 H LYS 121 H LYS 121 86.190 20.717 -6.291 864 HA LYS 121 HA LYS 121 87.855 21.800 -8.378 865 1HB LYS 121 1HB LYS 121 85.821 22.615 -6.436 866 2HB LYS 121 2HB LYS 121 86.986 23.889 -6.794 867 1HG LYS 121 1HG LYS 121 86.325 24.072 -8.977 868 2HG LYS 121 2HG LYS 121 85.958 22.351 -9.114 869 1HD LYS 121 1HD LYS 121 84.070 23.096 -7.312 870 2HD LYS 121 2HD LYS 121 84.221 24.589 -8.239 871 1HE LYS 121 1HE LYS 121 83.767 21.850 -9.479 872 2HE LYS 121 2HE LYS 121 82.498 23.061 -9.212 873 1HZ LYS 121 1HZ LYS 121 84.146 24.633 -10.386 874 2HZ LYS 121 2HZ LYS 121 84.852 23.212 -10.984 875 3HZ LYS 121 3HZ LYS 121 83.228 23.566 -11.336 876 H ASN 122 H ASN 122 88.509 21.004 -5.183 877 HA ASN 122 HA ASN 122 90.642 23.047 -4.819 878 1HB ASN 122 1HB ASN 122 89.129 21.050 -3.188 879 2HB ASN 122 2HB ASN 122 90.756 21.459 -2.656 880 1HD2 ASN 122 2HD2 ASN 122 87.580 22.363 -2.231 881 2HD2 ASN 122 1HD2 ASN 122 87.806 23.989 -1.797 882 H CYS 123 H CYS 123 90.087 19.977 -6.046 883 HA CYS 123 HA CYS 123 92.819 18.936 -5.561 884 1HB CYS 123 1HB CYS 123 90.120 17.977 -6.366 885 2HB CYS 123 2HB CYS 123 91.489 17.073 -6.981 Start of MODEL 14 1 1H ALA 1 1H ALA 1 88.502 -4.696 -5.531 2 2H ALA 1 2H ALA 1 89.118 -5.664 -4.279 3 3H ALA 1 3H ALA 1 88.919 -6.316 -5.832 4 HA ALA 1 HA ALA 1 86.625 -6.459 -5.646 5 1HB ALA 1 1HB ALA 1 87.903 -7.990 -4.174 6 2HB ALA 1 2HB ALA 1 87.822 -6.801 -2.875 7 3HB ALA 1 3HB ALA 1 86.348 -7.574 -3.456 8 H LEU 2 H LEU 2 84.641 -5.877 -4.297 9 HA LEU 2 HA LEU 2 84.886 -3.065 -3.276 10 1HB LEU 2 1HB LEU 2 83.382 -4.208 -5.367 11 2HB LEU 2 2HB LEU 2 82.224 -3.901 -4.073 12 HG LEU 2 HG LEU 2 84.120 -1.702 -4.423 13 1HD1 LEU 2 1HD1 LEU 2 82.677 -2.816 -6.770 14 2HD1 LEU 2 2HD1 LEU 2 82.579 -1.068 -6.550 15 3HD1 LEU 2 3HD1 LEU 2 84.152 -1.850 -6.710 16 1HD2 LEU 2 1HD2 LEU 2 81.545 -2.137 -3.448 17 2HD2 LEU 2 2HD2 LEU 2 82.322 -0.566 -3.647 18 3HD2 LEU 2 3HD2 LEU 2 81.284 -1.204 -4.922 19 H TRP 3 H TRP 3 84.207 -6.272 -2.413 20 HA TRP 3 HA TRP 3 82.617 -5.375 -0.031 21 1HB TRP 3 1HB TRP 3 82.131 -8.014 -0.125 22 2HB TRP 3 2HB TRP 3 81.196 -6.869 -1.082 23 HD1 TRP 3 HD1 TRP 3 84.510 -8.835 -1.533 24 HE1 TRP 3 HE1 TRP 3 84.599 -9.692 -3.963 25 HE3 TRP 3 HE3 TRP 3 80.134 -6.898 -3.313 26 HZ2 TRP 3 HZ2 TRP 3 83.026 -9.571 -6.345 27 HZ3 TRP 3 HZ3 TRP 3 79.457 -7.282 -5.666 28 HH2 TRP 3 HH2 TRP 3 80.897 -8.614 -7.182 29 H GLN 4 H GLN 4 85.420 -7.147 -1.182 30 HA GLN 4 HA GLN 4 86.094 -8.352 1.384 31 1HB GLN 4 1HB GLN 4 87.322 -7.966 -1.320 32 2HB GLN 4 2HB GLN 4 88.389 -8.405 0.013 33 1HG GLN 4 1HG GLN 4 87.700 -10.542 -0.108 34 2HG GLN 4 2HG GLN 4 86.030 -10.034 0.152 35 1HE2 GLN 4 2HE2 GLN 4 88.223 -9.350 -2.623 36 2HE2 GLN 4 1HE2 GLN 4 87.204 -10.043 -3.790 37 H PHE 5 H PHE 5 87.416 -5.588 -0.481 38 HA PHE 5 HA PHE 5 89.324 -4.666 1.371 39 1HB PHE 5 1HB PHE 5 89.000 -3.834 -0.928 40 2HB PHE 5 2HB PHE 5 87.457 -3.120 -0.460 41 HD1 PHE 5 HD1 PHE 5 90.452 -3.194 1.710 42 HD2 PHE 5 HD2 PHE 5 88.024 -0.816 -0.917 43 HE1 PHE 5 HE1 PHE 5 91.627 -1.148 2.474 44 HE2 PHE 5 HE2 PHE 5 89.199 1.229 -0.153 45 HZ PHE 5 HZ PHE 5 91.000 1.064 1.544 46 H ASN 6 H ASN 6 85.911 -3.585 1.077 47 HA ASN 6 HA ASN 6 85.784 -1.849 3.273 48 1HB ASN 6 1HB ASN 6 84.068 -2.915 1.430 49 2HB ASN 6 2HB ASN 6 83.499 -3.699 2.904 50 1HD2 ASN 6 2HD2 ASN 6 81.525 -2.375 2.910 51 2HD2 ASN 6 1HD2 ASN 6 81.578 -0.734 3.339 52 H GLY 7 H GLY 7 85.355 -5.398 3.246 53 1HA GLY 7 1HA GLY 7 84.718 -5.756 5.975 54 2HA GLY 7 2HA GLY 7 85.559 -6.956 4.992 55 H MET 8 H MET 8 87.887 -5.469 4.385 56 HA MET 8 HA MET 8 89.547 -5.986 6.634 57 1HB MET 8 1HB MET 8 89.920 -4.039 4.333 58 2HB MET 8 2HB MET 8 91.209 -4.737 5.312 59 1HG MET 8 1HG MET 8 89.938 -7.000 4.536 60 2HG MET 8 2HG MET 8 89.601 -5.971 3.146 61 1HE MET 8 1HE MET 8 91.071 -8.588 3.039 62 2HE MET 8 2HE MET 8 92.833 -8.580 3.001 63 3HE MET 8 3HE MET 8 91.991 -8.482 4.545 64 H ILE 9 H ILE 9 88.358 -2.838 5.390 65 HA ILE 9 HA ILE 9 89.402 -1.211 7.476 66 HB ILE 9 HB ILE 9 86.879 -0.947 5.804 67 1HG1 ILE 9 1HG1 ILE 9 89.633 0.215 5.308 68 2HG1 ILE 9 2HG1 ILE 9 89.088 -1.300 4.589 69 1HG2 ILE 9 1HG2 ILE 9 88.441 0.975 7.524 70 2HG2 ILE 9 2HG2 ILE 9 87.485 1.555 6.160 71 3HG2 ILE 9 3HG2 ILE 9 86.699 0.696 7.485 72 1HD1 ILE 9 1HD1 ILE 9 87.029 0.634 4.194 73 2HD1 ILE 9 2HD1 ILE 9 88.556 1.368 3.704 74 3HD1 ILE 9 3HD1 ILE 9 88.031 -0.148 2.972 75 H LYS 10 H LYS 10 86.636 -3.347 7.365 76 HA LYS 10 HA LYS 10 85.352 -2.227 9.755 77 1HB LYS 10 1HB LYS 10 84.949 -4.471 7.813 78 2HB LYS 10 2HB LYS 10 84.139 -4.580 9.376 79 1HG LYS 10 1HG LYS 10 83.943 -2.225 7.473 80 2HG LYS 10 2HG LYS 10 82.711 -3.472 7.676 81 1HD LYS 10 1HD LYS 10 83.653 -1.457 9.727 82 2HD LYS 10 2HD LYS 10 82.032 -1.632 9.053 83 1HE LYS 10 1HE LYS 10 81.838 -3.870 10.117 84 2HE LYS 10 2HE LYS 10 83.446 -3.648 10.838 85 1HZ LYS 10 1HZ LYS 10 82.652 -1.576 11.835 86 2HZ LYS 10 2HZ LYS 10 81.103 -1.854 11.204 87 3HZ LYS 10 3HZ LYS 10 81.742 -2.906 12.373 88 H CYS 11 H CYS 11 87.590 -4.845 8.974 89 HA CYS 11 HA CYS 11 87.398 -6.273 11.441 90 1HB CYS 11 1HB CYS 11 88.353 -7.137 9.332 91 2HB CYS 11 2HB CYS 11 89.661 -5.963 9.449 92 H LYS 12 H LYS 12 89.803 -3.923 10.257 93 HA LYS 12 HA LYS 12 91.254 -3.708 12.730 94 1HB LYS 12 1HB LYS 12 90.956 -2.122 10.190 95 2HB LYS 12 2HB LYS 12 91.925 -1.479 11.516 96 1HG LYS 12 1HG LYS 12 92.523 -4.284 11.024 97 2HG LYS 12 2HG LYS 12 92.781 -3.303 9.581 98 1HD LYS 12 1HD LYS 12 94.835 -3.069 10.653 99 2HD LYS 12 2HD LYS 12 93.966 -1.663 11.267 100 1HE LYS 12 1HE LYS 12 93.233 -3.156 13.228 101 2HE LYS 12 2HE LYS 12 94.481 -4.291 12.677 102 1HZ LYS 12 1HZ LYS 12 95.810 -1.999 12.532 103 2HZ LYS 12 2HZ LYS 12 94.774 -1.631 13.823 104 3HZ LYS 12 3HZ LYS 12 95.809 -2.975 13.923 105 H ILE 13 H ILE 13 88.524 -1.871 11.366 106 HA ILE 13 HA ILE 13 88.243 -0.499 14.022 107 HB ILE 13 HB ILE 13 87.714 0.532 11.214 108 1HG1 ILE 13 1HG1 ILE 13 89.749 1.516 13.227 109 2HG1 ILE 13 2HG1 ILE 13 90.136 0.275 12.034 110 1HG2 ILE 13 1HG2 ILE 13 86.170 1.389 13.021 111 2HG2 ILE 13 2HG2 ILE 13 87.593 2.020 13.851 112 3HG2 ILE 13 3HG2 ILE 13 87.155 2.636 12.257 113 1HD1 ILE 13 1HD1 ILE 13 88.813 2.344 10.627 114 2HD1 ILE 13 2HD1 ILE 13 89.990 3.132 11.679 115 3HD1 ILE 13 3HD1 ILE 13 90.517 1.902 10.529 116 HA PRO 14 HA PRO 14 84.389 -2.830 13.043 117 1HB PRO 14 1HB PRO 14 84.107 -3.935 15.527 118 2HB PRO 14 2HB PRO 14 85.096 -4.673 14.251 119 1HG PRO 14 1HG PRO 14 85.936 -3.104 16.625 120 2HG PRO 14 2HG PRO 14 86.731 -4.471 15.832 121 1HD PRO 14 1HD PRO 14 87.467 -1.829 15.530 122 2HD PRO 14 2HD PRO 14 87.851 -3.128 14.380 123 H SER 15 H SER 15 85.366 -0.698 15.659 124 HA SER 15 HA SER 15 82.730 -0.176 16.727 125 1HB SER 15 1HB SER 15 83.893 1.526 17.959 126 2HB SER 15 2HB SER 15 85.030 0.194 17.769 127 HG SER 15 HG SER 15 85.115 2.744 16.791 128 H SER 16 H SER 16 84.701 1.344 14.185 129 HA SER 16 HA SER 16 82.522 3.326 13.693 130 1HB SER 16 1HB SER 16 85.407 3.259 13.570 131 2HB SER 16 2HB SER 16 84.758 3.733 12.003 132 HG SER 16 HG SER 16 84.517 5.607 12.926 133 H GLU 17 H GLU 17 81.852 3.660 11.421 134 HA GLU 17 HA GLU 17 81.891 1.098 9.872 135 1HB GLU 17 1HB GLU 17 79.999 3.436 10.143 136 2HB GLU 17 2HB GLU 17 79.860 2.311 8.791 137 1HG GLU 17 1HG GLU 17 80.134 1.065 11.467 138 2HG GLU 17 2HG GLU 17 78.624 1.932 11.179 139 HA PRO 18 HA PRO 18 84.286 3.187 6.809 140 1HB PRO 18 1HB PRO 18 83.868 1.450 4.737 141 2HB PRO 18 2HB PRO 18 84.936 1.079 6.105 142 1HG PRO 18 1HG PRO 18 82.166 0.157 5.565 143 2HG PRO 18 2HG PRO 18 83.522 -0.706 6.305 144 1HD PRO 18 1HD PRO 18 81.436 0.399 7.712 145 2HD PRO 18 2HD PRO 18 83.048 0.083 8.389 146 H LEU 19 H LEU 19 81.007 2.063 5.969 147 HA LEU 19 HA LEU 19 80.711 3.932 3.744 148 1HB LEU 19 1HB LEU 19 78.781 2.219 5.342 149 2HB LEU 19 2HB LEU 19 78.354 3.077 3.861 150 HG LEU 19 HG LEU 19 80.532 0.981 4.100 151 1HD1 LEU 19 1HD1 LEU 19 77.659 0.827 3.620 152 2HD1 LEU 19 2HD1 LEU 19 78.585 0.156 2.276 153 3HD1 LEU 19 3HD1 LEU 19 78.814 -0.474 3.907 154 1HD2 LEU 19 1HD2 LEU 19 79.558 2.774 1.888 155 2HD2 LEU 19 2HD2 LEU 19 81.215 2.375 2.345 156 3HD2 LEU 19 3HD2 LEU 19 80.223 1.187 1.498 157 H LEU 20 H LEU 20 80.737 4.360 7.070 158 HA LEU 20 HA LEU 20 78.826 6.668 6.915 159 1HB LEU 20 1HB LEU 20 79.825 5.197 9.367 160 2HB LEU 20 2HB LEU 20 78.434 6.276 9.257 161 HG LEU 20 HG LEU 20 78.717 3.588 7.880 162 1HD1 LEU 20 1HD1 LEU 20 78.060 4.105 10.499 163 2HD1 LEU 20 2HD1 LEU 20 76.477 4.108 9.721 164 3HD1 LEU 20 3HD1 LEU 20 77.521 2.692 9.593 165 1HD2 LEU 20 1HD2 LEU 20 77.146 5.870 7.212 166 2HD2 LEU 20 2HD2 LEU 20 77.063 4.255 6.505 167 3HD2 LEU 20 3HD2 LEU 20 76.056 4.663 7.894 168 H ASP 21 H ASP 21 82.119 5.753 7.296 169 HA ASP 21 HA ASP 21 82.781 8.510 8.283 170 1HB ASP 21 1HB ASP 21 84.354 5.950 8.689 171 2HB ASP 21 2HB ASP 21 84.610 7.498 9.495 172 H PHE 22 H PHE 22 84.512 5.771 6.729 173 HA PHE 22 HA PHE 22 86.100 7.650 5.119 174 1HB PHE 22 1HB PHE 22 85.980 4.629 4.947 175 2HB PHE 22 2HB PHE 22 87.340 5.683 4.559 176 HD1 PHE 22 HD1 PHE 22 87.604 7.491 6.765 177 HD2 PHE 22 HD2 PHE 22 86.484 3.344 6.824 178 HE1 PHE 22 HE1 PHE 22 88.411 7.306 9.104 179 HE2 PHE 22 HE2 PHE 22 87.289 3.160 9.162 180 HZ PHE 22 HZ PHE 22 88.253 5.140 10.302 181 H ASN 23 H ASN 23 83.329 7.854 4.482 182 HA ASN 23 HA ASN 23 83.031 6.360 1.917 183 1HB ASN 23 1HB ASN 23 81.331 7.073 4.045 184 2HB ASN 23 2HB ASN 23 80.831 8.087 2.691 185 1HD2 ASN 23 2HD2 ASN 23 78.874 6.414 3.108 186 2HD2 ASN 23 1HD2 ASN 23 78.918 5.025 2.133 187 H ASN 24 H ASN 24 83.919 7.460 0.202 188 HA ASN 24 HA ASN 24 84.555 9.275 -1.181 189 1HB ASN 24 1HB ASN 24 82.181 9.108 -1.636 190 2HB ASN 24 2HB ASN 24 81.791 10.004 -0.167 191 1HD2 ASN 24 2HD2 ASN 24 80.975 11.982 -0.925 192 2HD2 ASN 24 1HD2 ASN 24 81.769 12.980 -2.045 193 H TYR 25 H TYR 25 86.167 9.774 0.699 194 HA TYR 25 HA TYR 25 85.589 12.527 1.743 195 1HB TYR 25 1HB TYR 25 85.530 11.164 3.653 196 2HB TYR 25 2HB TYR 25 86.723 10.041 3.004 197 HD1 TYR 25 HD1 TYR 25 89.140 10.849 2.755 198 HD2 TYR 25 HD2 TYR 25 86.188 12.956 5.057 199 HE1 TYR 25 HE1 TYR 25 90.942 12.061 3.953 200 HE2 TYR 25 HE2 TYR 25 87.990 14.167 6.257 201 HH TYR 25 HH TYR 25 90.693 14.724 5.435 202 H GLY 26 H GLY 26 87.626 13.828 2.017 203 1HA GLY 26 1HA GLY 26 89.603 14.684 1.056 204 2HA GLY 26 2HA GLY 26 90.185 13.025 1.186 205 H CYS 27 H CYS 27 91.301 13.607 -0.875 206 HA CYS 27 HA CYS 27 89.557 13.795 -3.264 207 1HB CYS 27 1HB CYS 27 92.571 13.766 -2.905 208 2HB CYS 27 2HB CYS 27 91.719 14.175 -4.394 209 H TYR 28 H TYR 28 91.501 11.404 -1.558 210 HA TYR 28 HA TYR 28 91.288 9.535 -3.874 211 1HB TYR 28 1HB TYR 28 92.788 9.338 -1.244 212 2HB TYR 28 2HB TYR 28 92.986 8.275 -2.638 213 HD1 TYR 28 HD1 TYR 28 93.712 9.327 -4.866 214 HD2 TYR 28 HD2 TYR 28 94.006 11.358 -1.092 215 HE1 TYR 28 HE1 TYR 28 95.356 10.907 -5.843 216 HE2 TYR 28 HE2 TYR 28 95.651 12.937 -2.071 217 HH TYR 28 HH TYR 28 97.146 12.396 -5.091 218 H CYS 29 H CYS 29 90.871 9.363 -0.304 219 HA CYS 29 HA CYS 29 89.576 6.948 -0.019 220 1HB CYS 29 1HB CYS 29 88.822 9.605 1.242 221 2HB CYS 29 2HB CYS 29 88.433 8.019 1.903 222 H GLY 30 H GLY 30 87.967 6.124 -1.304 223 1HA GLY 30 1HA GLY 30 85.494 6.171 -1.642 224 2HA GLY 30 2HA GLY 30 85.645 7.907 -1.918 225 H LEU 31 H LEU 31 84.453 7.121 -3.976 226 HA LEU 31 HA LEU 31 86.519 6.461 -6.048 227 1HB LEU 31 1HB LEU 31 85.071 4.537 -5.528 228 2HB LEU 31 2HB LEU 31 83.639 5.524 -5.824 229 HG LEU 31 HG LEU 31 84.685 5.955 -8.161 230 1HD1 LEU 31 1HD1 LEU 31 86.699 4.350 -7.002 231 2HD1 LEU 31 2HD1 LEU 31 85.903 3.333 -8.203 232 3HD1 LEU 31 3HD1 LEU 31 86.597 4.884 -8.680 233 1HD2 LEU 31 1HD2 LEU 31 82.817 4.184 -7.234 234 2HD2 LEU 31 2HD2 LEU 31 83.212 4.395 -8.940 235 3HD2 LEU 31 3HD2 LEU 31 83.959 3.091 -8.017 236 H GLY 32 H GLY 32 86.492 8.946 -6.118 237 1HA GLY 32 1HA GLY 32 85.049 9.857 -8.394 238 2HA GLY 32 2HA GLY 32 84.204 10.420 -6.951 239 H GLY 33 H GLY 33 86.089 11.141 -5.213 240 1HA GLY 33 1HA GLY 33 87.037 13.637 -6.087 241 2HA GLY 33 2HA GLY 33 87.712 12.764 -4.711 242 H SER 34 H SER 34 89.500 14.204 -6.119 243 HA SER 34 HA SER 34 91.433 12.276 -6.988 244 1HB SER 34 1HB SER 34 91.088 13.519 -9.461 245 2HB SER 34 2HB SER 34 90.593 11.878 -9.056 246 HG SER 34 HG SER 34 89.100 14.176 -9.372 247 H GLY 35 H GLY 35 93.132 13.429 -6.120 248 1HA GLY 35 1HA GLY 35 94.500 15.475 -7.247 249 2HA GLY 35 2HA GLY 35 93.230 16.359 -6.398 250 H THR 36 H THR 36 95.581 17.023 -5.467 251 HA THR 36 HA THR 36 97.100 15.566 -3.693 252 HB THR 36 HB THR 36 95.915 18.344 -3.420 253 HG1 THR 36 HG1 THR 36 98.158 18.785 -4.117 254 1HG2 THR 36 1HG2 THR 36 96.827 17.260 -1.269 255 2HG2 THR 36 2HG2 THR 36 98.408 17.344 -2.047 256 3HG2 THR 36 3HG2 THR 36 97.501 18.823 -1.731 257 HA PRO 37 HA PRO 37 94.355 14.095 -0.577 258 1HB PRO 37 1HB PRO 37 96.168 13.714 1.440 259 2HB PRO 37 2HB PRO 37 96.043 12.637 0.035 260 1HG PRO 37 1HG PRO 37 97.991 14.822 0.577 261 2HG PRO 37 2HG PRO 37 98.248 13.241 -0.177 262 1HD PRO 37 1HD PRO 37 98.041 15.561 -1.591 263 2HD PRO 37 2HD PRO 37 97.585 13.971 -2.244 264 H VAL 38 H VAL 38 93.570 14.726 1.631 265 HA VAL 38 HA VAL 38 94.084 17.631 2.157 266 HB VAL 38 HB VAL 38 91.798 17.587 3.082 267 1HG1 VAL 38 1HG1 VAL 38 92.420 17.592 0.490 268 2HG1 VAL 38 2HG1 VAL 38 91.527 16.071 0.519 269 3HG1 VAL 38 3HG1 VAL 38 90.740 17.566 1.027 270 1HG2 VAL 38 1HG2 VAL 38 92.287 14.933 3.548 271 2HG2 VAL 38 2HG2 VAL 38 90.681 15.660 3.576 272 3HG2 VAL 38 3HG2 VAL 38 91.255 14.844 2.121 273 H ASP 39 H ASP 39 94.751 14.560 3.378 274 HA ASP 39 HA ASP 39 95.816 15.594 5.863 275 1HB ASP 39 1HB ASP 39 93.217 15.539 6.055 276 2HB ASP 39 2HB ASP 39 93.420 13.792 6.187 277 H ASP 40 H ASP 40 96.504 13.677 7.312 278 HA ASP 40 HA ASP 40 98.069 11.815 5.892 279 1HB ASP 40 1HB ASP 40 97.986 10.601 8.159 280 2HB ASP 40 2HB ASP 40 98.502 12.287 8.192 281 H LEU 41 H LEU 41 94.709 11.547 7.019 282 HA LEU 41 HA LEU 41 94.364 8.744 6.527 283 1HB LEU 41 1HB LEU 41 92.878 10.342 7.818 284 2HB LEU 41 2HB LEU 41 92.323 10.973 6.266 285 HG LEU 41 HG LEU 41 91.796 8.512 5.673 286 1HD1 LEU 41 1HD1 LEU 41 93.075 7.590 7.616 287 2HD1 LEU 41 2HD1 LEU 41 91.880 8.307 8.697 288 3HD1 LEU 41 3HD1 LEU 41 91.401 7.038 7.570 289 1HD2 LEU 41 1HD2 LEU 41 90.347 10.465 7.304 290 2HD2 LEU 41 2HD2 LEU 41 89.780 9.504 5.939 291 3HD2 LEU 41 3HD2 LEU 41 89.782 8.814 7.561 292 H ASP 42 H ASP 42 93.559 11.583 4.491 293 HA ASP 42 HA ASP 42 92.657 10.189 2.197 294 1HB ASP 42 1HB ASP 42 92.964 12.773 2.965 295 2HB ASP 42 2HB ASP 42 94.322 12.634 1.849 296 H ARG 43 H ARG 43 95.930 11.062 3.252 297 HA ARG 43 HA ARG 43 97.415 10.349 0.957 298 1HB ARG 43 1HB ARG 43 97.835 10.409 3.929 299 2HB ARG 43 2HB ARG 43 99.102 9.724 2.910 300 1HG ARG 43 1HG ARG 43 98.123 12.186 1.758 301 2HG ARG 43 2HG ARG 43 98.625 12.455 3.427 302 1HD ARG 43 1HD ARG 43 100.432 12.651 1.565 303 2HD ARG 43 2HD ARG 43 100.836 11.689 2.993 304 HE ARG 43 HE ARG 43 99.538 10.055 1.043 305 1HH1 ARG 43 1HH1 ARG 43 102.175 9.763 2.728 306 2HH1 ARG 43 2HH1 ARG 43 103.299 9.473 1.443 307 1HH2 ARG 43 1HH2 ARG 43 101.113 10.490 -1.051 308 2HH2 ARG 43 2HH2 ARG 43 102.698 9.885 -0.699 309 H CYS 44 H CYS 44 96.067 8.345 3.549 310 HA CYS 44 HA CYS 44 97.362 5.902 2.896 311 1HB CYS 44 1HB CYS 44 94.564 6.288 3.987 312 2HB CYS 44 2HB CYS 44 95.641 4.930 4.284 313 H CYS 45 H CYS 45 94.218 7.243 1.888 314 HA CYS 45 HA CYS 45 93.395 5.065 0.235 315 1HB CYS 45 1HB CYS 45 92.843 8.048 0.149 316 2HB CYS 45 2HB CYS 45 91.919 6.846 -0.752 317 H GLN 46 H GLN 46 95.171 8.070 -0.557 318 HA GLN 46 HA GLN 46 95.426 7.697 -3.351 319 1HB GLN 46 1HB GLN 46 96.087 9.707 -2.019 320 2HB GLN 46 2HB GLN 46 97.455 8.799 -1.375 321 1HG GLN 46 1HG GLN 46 98.289 8.460 -3.697 322 2HG GLN 46 2HG GLN 46 96.963 9.452 -4.296 323 1HE2 GLN 46 2HE2 GLN 46 99.325 10.492 -4.967 324 2HE2 GLN 46 1HE2 GLN 46 99.776 11.776 -3.960 325 H THR 47 H THR 47 97.333 6.367 -0.667 326 HA THR 47 HA THR 47 99.340 5.091 -2.248 327 HB THR 47 HB THR 47 98.227 4.290 0.457 328 HG1 THR 47 HG1 THR 47 98.938 6.140 1.095 329 1HG2 THR 47 1HG2 THR 47 100.635 3.617 -1.134 330 2HG2 THR 47 2HG2 THR 47 100.918 3.958 0.573 331 3HG2 THR 47 3HG2 THR 47 99.801 2.676 0.103 332 H HIS 48 H HIS 48 96.108 4.118 -1.189 333 HA HIS 48 HA HIS 48 96.227 1.335 -1.777 334 1HB HIS 48 1HB HIS 48 94.419 2.732 -0.615 335 2HB HIS 48 2HB HIS 48 93.877 3.197 -2.229 336 HD1 HIS 48 HD1 HIS 48 91.662 1.885 -2.120 337 HD2 HIS 48 HD2 HIS 48 95.025 -0.502 -1.509 338 HE1 HIS 48 HE1 HIS 48 90.866 -0.515 -2.238 339 H ASP 49 H ASP 49 95.363 4.120 -3.816 340 HA ASP 49 HA ASP 49 94.833 2.647 -6.201 341 1HB ASP 49 1HB ASP 49 95.439 5.463 -5.391 342 2HB ASP 49 2HB ASP 49 95.477 5.067 -7.108 343 H ASN 50 H ASN 50 97.729 4.391 -5.061 344 HA ASN 50 HA ASN 50 99.423 3.855 -7.261 345 1HB ASN 50 1HB ASN 50 99.676 4.569 -4.374 346 2HB ASN 50 2HB ASN 50 101.140 4.055 -5.211 347 1HD2 ASN 50 2HD2 ASN 50 100.732 6.770 -4.284 348 2HD2 ASN 50 1HD2 ASN 50 100.654 7.776 -5.648 349 H CYS 51 H CYS 51 98.612 1.924 -4.409 350 HA CYS 51 HA CYS 51 100.655 -0.087 -4.777 351 1HB CYS 51 1HB CYS 51 99.150 0.554 -2.741 352 2HB CYS 51 2HB CYS 51 97.957 -0.509 -3.487 353 H TYR 52 H TYR 52 97.225 0.152 -5.761 354 HA TYR 52 HA TYR 52 96.955 -2.425 -6.941 355 1HB TYR 52 1HB TYR 52 95.687 0.274 -7.169 356 2HB TYR 52 2HB TYR 52 95.302 -0.908 -8.420 357 HD1 TYR 52 HD1 TYR 52 96.212 -2.276 -5.193 358 HD2 TYR 52 HD2 TYR 52 92.926 -0.791 -7.528 359 HE1 TYR 52 HE1 TYR 52 94.615 -3.388 -3.655 360 HE2 TYR 52 HE2 TYR 52 91.331 -1.904 -5.992 361 HH TYR 52 HH TYR 52 91.621 -2.669 -3.281 362 H LYS 53 H LYS 53 98.454 0.537 -8.112 363 HA LYS 53 HA LYS 53 98.691 -0.322 -10.894 364 1HB LYS 53 1HB LYS 53 100.539 1.639 -9.541 365 2HB LYS 53 2HB LYS 53 99.838 1.718 -11.155 366 1HG LYS 53 1HG LYS 53 97.694 1.719 -9.283 367 2HG LYS 53 2HG LYS 53 98.870 2.909 -8.745 368 1HD LYS 53 1HD LYS 53 98.080 2.795 -11.641 369 2HD LYS 53 2HD LYS 53 97.046 3.628 -10.480 370 1HE LYS 53 1HE LYS 53 98.426 5.422 -10.520 371 2HE LYS 53 2HE LYS 53 99.785 4.401 -10.010 372 1HZ LYS 53 1HZ LYS 53 98.923 4.005 -12.744 373 2HZ LYS 53 2HZ LYS 53 99.589 5.537 -12.437 374 3HZ LYS 53 3HZ LYS 53 100.491 4.135 -12.110 375 H GLN 54 H GLN 54 100.925 0.016 -8.176 376 HA GLN 54 HA GLN 54 103.210 -1.187 -9.306 377 1HB GLN 54 1HB GLN 54 102.073 -0.980 -6.516 378 2HB GLN 54 2HB GLN 54 103.655 -1.703 -6.814 379 1HG GLN 54 1HG GLN 54 104.550 0.316 -7.658 380 2HG GLN 54 2HG GLN 54 102.952 1.019 -7.910 381 1HE2 GLN 54 2HE2 GLN 54 103.940 -0.725 -4.962 382 2HE2 GLN 54 1HE2 GLN 54 103.846 0.622 -3.935 383 H ALA 55 H ALA 55 100.346 -2.612 -7.813 384 HA ALA 55 HA ALA 55 101.270 -5.304 -7.544 385 1HB ALA 55 1HB ALA 55 99.222 -4.331 -6.535 386 2HB ALA 55 2HB ALA 55 98.506 -4.193 -8.141 387 3HB ALA 55 3HB ALA 55 98.845 -5.783 -7.460 388 H LYS 56 H LYS 56 99.716 -3.586 -10.254 389 HA LYS 56 HA LYS 56 99.483 -5.879 -11.988 390 1HB LYS 56 1HB LYS 56 99.642 -2.882 -12.451 391 2HB LYS 56 2HB LYS 56 99.226 -4.044 -13.711 392 1HG LYS 56 1HG LYS 56 97.583 -4.731 -11.549 393 2HG LYS 56 2HG LYS 56 97.556 -2.968 -11.588 394 1HD LYS 56 1HD LYS 56 96.098 -3.088 -13.297 395 2HD LYS 56 2HD LYS 56 97.385 -3.789 -14.279 396 1HE LYS 56 1HE LYS 56 96.690 -6.000 -13.833 397 2HE LYS 56 2HE LYS 56 95.763 -5.513 -12.400 398 1HZ LYS 56 1HZ LYS 56 95.167 -4.667 -15.187 399 2HZ LYS 56 2HZ LYS 56 94.321 -5.870 -14.336 400 3HZ LYS 56 3HZ LYS 56 94.274 -4.257 -13.806 401 H LYS 57 H LYS 57 102.020 -3.453 -11.459 402 HA LYS 57 HA LYS 57 103.689 -4.069 -13.659 403 1HB LYS 57 1HB LYS 57 103.913 -2.811 -10.970 404 2HB LYS 57 2HB LYS 57 105.423 -3.258 -11.765 405 1HG LYS 57 1HG LYS 57 103.494 -1.927 -13.545 406 2HG LYS 57 2HG LYS 57 104.056 -0.914 -12.215 407 1HD LYS 57 1HD LYS 57 105.635 -0.568 -13.960 408 2HD LYS 57 2HD LYS 57 106.425 -1.680 -12.842 409 1HE LYS 57 1HE LYS 57 106.554 -3.286 -14.435 410 2HE LYS 57 2HE LYS 57 104.826 -3.124 -14.810 411 1HZ LYS 57 1HZ LYS 57 106.512 -0.893 -15.596 412 2HZ LYS 57 2HZ LYS 57 106.755 -2.330 -16.469 413 3HZ LYS 57 3HZ LYS 57 105.217 -1.618 -16.422 414 H LEU 58 H LEU 58 103.351 -5.591 -10.478 415 HA LEU 58 HA LEU 58 105.619 -7.141 -10.226 416 1HB LEU 58 1HB LEU 58 102.869 -7.150 -9.375 417 2HB LEU 58 2HB LEU 58 103.384 -8.809 -9.687 418 HG LEU 58 HG LEU 58 105.538 -8.066 -8.352 419 1HD1 LEU 58 1HD1 LEU 58 103.494 -5.962 -7.760 420 2HD1 LEU 58 2HD1 LEU 58 104.513 -6.527 -6.437 421 3HD1 LEU 58 3HD1 LEU 58 105.247 -5.818 -7.875 422 1HD2 LEU 58 1HD2 LEU 58 102.879 -9.054 -7.507 423 2HD2 LEU 58 2HD2 LEU 58 104.475 -9.759 -7.252 424 3HD2 LEU 58 3HD2 LEU 58 103.905 -8.463 -6.200 425 H ASP 59 H ASP 59 106.600 -8.623 -11.547 426 HA ASP 59 HA ASP 59 105.842 -9.375 -14.108 427 1HB ASP 59 1HB ASP 59 107.488 -10.553 -11.910 428 2HB ASP 59 2HB ASP 59 107.167 -11.573 -13.314 429 H SER 60 H SER 60 105.329 -11.446 -11.218 430 HA SER 60 HA SER 60 103.794 -13.474 -12.295 431 1HB SER 60 1HB SER 60 104.253 -12.226 -9.734 432 2HB SER 60 2HB SER 60 102.570 -12.729 -9.851 433 HG SER 60 HG SER 60 103.242 -14.694 -9.611 434 H CYS 61 H CYS 61 102.799 -10.150 -11.669 435 HA CYS 61 HA CYS 61 99.970 -10.751 -12.301 436 1HB CYS 61 1HB CYS 61 101.374 -8.120 -11.746 437 2HB CYS 61 2HB CYS 61 99.643 -8.441 -11.633 438 H LYS 62 H LYS 62 102.827 -9.318 -13.798 439 HA LYS 62 HA LYS 62 101.533 -7.978 -15.979 440 1HB LYS 62 1HB LYS 62 103.888 -7.681 -15.238 441 2HB LYS 62 2HB LYS 62 104.256 -9.314 -15.797 442 1HG LYS 62 1HG LYS 62 104.359 -8.670 -17.966 443 2HG LYS 62 2HG LYS 62 102.917 -7.664 -17.826 444 1HD LYS 62 1HD LYS 62 104.391 -6.015 -16.520 445 2HD LYS 62 2HD LYS 62 105.765 -6.948 -17.114 446 1HE LYS 62 1HE LYS 62 105.505 -5.232 -18.738 447 2HE LYS 62 2HE LYS 62 104.672 -6.618 -19.469 448 1HZ LYS 62 1HZ LYS 62 103.071 -5.062 -17.627 449 2HZ LYS 62 2HZ LYS 62 103.516 -4.231 -19.040 450 3HZ LYS 62 3HZ LYS 62 102.664 -5.697 -19.145 451 H VAL 63 H VAL 63 102.159 -11.337 -15.325 452 HA VAL 63 HA VAL 63 101.687 -12.124 -18.154 453 HB VAL 63 HB VAL 63 102.429 -13.604 -15.612 454 1HG1 VAL 63 1HG1 VAL 63 101.062 -14.940 -17.294 455 2HG1 VAL 63 2HG1 VAL 63 102.389 -14.707 -18.430 456 3HG1 VAL 63 3HG1 VAL 63 102.658 -15.593 -16.930 457 1HG2 VAL 63 1HG2 VAL 63 103.909 -12.158 -17.632 458 2HG2 VAL 63 2HG2 VAL 63 104.508 -12.924 -16.160 459 3HG2 VAL 63 3HG2 VAL 63 104.374 -13.860 -17.650 460 H LEU 64 H LEU 64 100.030 -11.832 -15.125 461 HA LEU 64 HA LEU 64 97.867 -13.703 -15.911 462 1HB LEU 64 1HB LEU 64 98.664 -12.110 -13.482 463 2HB LEU 64 2HB LEU 64 97.036 -12.780 -13.597 464 HG LEU 64 HG LEU 64 98.770 -14.262 -12.443 465 1HD1 LEU 64 1HD1 LEU 64 97.212 -15.188 -14.866 466 2HD1 LEU 64 2HD1 LEU 64 98.005 -16.308 -13.759 467 3HD1 LEU 64 3HD1 LEU 64 96.718 -15.255 -13.175 468 1HD2 LEU 64 1HD2 LEU 64 100.511 -13.668 -14.269 469 2HD2 LEU 64 2HD2 LEU 64 100.423 -15.351 -13.749 470 3HD2 LEU 64 3HD2 LEU 64 99.672 -14.856 -15.265 471 H VAL 65 H VAL 65 98.323 -10.229 -15.223 472 HA VAL 65 HA VAL 65 96.977 -8.379 -15.755 473 HB VAL 65 HB VAL 65 97.182 -10.339 -17.895 474 1HG1 VAL 65 1HG1 VAL 65 95.083 -8.159 -18.121 475 2HG1 VAL 65 2HG1 VAL 65 95.671 -9.131 -19.470 476 3HG1 VAL 65 3HG1 VAL 65 94.783 -9.896 -18.152 477 1HG2 VAL 65 1HG2 VAL 65 98.036 -7.650 -17.250 478 2HG2 VAL 65 2HG2 VAL 65 98.745 -8.797 -18.387 479 3HG2 VAL 65 3HG2 VAL 65 97.438 -7.732 -18.907 480 H ASP 66 H ASP 66 95.827 -10.742 -14.315 481 HA ASP 66 HA ASP 66 93.116 -11.208 -14.909 482 1HB ASP 66 1HB ASP 66 92.987 -11.810 -12.508 483 2HB ASP 66 2HB ASP 66 94.469 -12.423 -13.241 484 H ASN 67 H ASN 67 91.238 -10.319 -13.527 485 HA ASN 67 HA ASN 67 91.233 -7.390 -13.716 486 1HB ASN 67 1HB ASN 67 89.243 -9.540 -12.952 487 2HB ASN 67 2HB ASN 67 88.834 -7.824 -12.913 488 1HD2 ASN 67 2HD2 ASN 67 89.908 -6.756 -15.171 489 2HD2 ASN 67 1HD2 ASN 67 89.362 -7.555 -16.565 490 HA PRO 68 HA PRO 68 92.372 -6.918 -9.453 491 1HB PRO 68 1HB PRO 68 92.028 -4.209 -9.321 492 2HB PRO 68 2HB PRO 68 93.427 -4.967 -10.107 493 1HG PRO 68 1HG PRO 68 90.995 -3.771 -11.316 494 2HG PRO 68 2HG PRO 68 92.664 -3.778 -11.901 495 1HD PRO 68 1HD PRO 68 90.665 -5.423 -12.846 496 2HD PRO 68 2HD PRO 68 92.404 -5.764 -12.980 497 H TYR 69 H TYR 69 89.326 -5.938 -10.856 498 HA TYR 69 HA TYR 69 88.093 -5.391 -8.220 499 1HB TYR 69 1HB TYR 69 87.386 -5.145 -11.120 500 2HB TYR 69 2HB TYR 69 86.071 -5.213 -9.946 501 HD1 TYR 69 HD1 TYR 69 89.483 -3.728 -9.557 502 HD2 TYR 69 HD2 TYR 69 85.263 -2.983 -9.842 503 HE1 TYR 69 HE1 TYR 69 89.865 -1.346 -8.985 504 HE2 TYR 69 HE2 TYR 69 85.644 -0.601 -9.270 505 HH TYR 69 HH TYR 69 87.853 1.029 -9.563 506 H THR 70 H THR 70 89.098 -8.140 -9.014 507 HA THR 70 HA THR 70 87.077 -9.728 -7.855 508 HB THR 70 HB THR 70 85.697 -9.255 -9.749 509 HG1 THR 70 HG1 THR 70 85.698 -11.435 -9.327 510 1HG2 THR 70 1HG2 THR 70 87.612 -8.336 -11.111 511 2HG2 THR 70 2HG2 THR 70 88.023 -9.998 -11.537 512 3HG2 THR 70 3HG2 THR 70 86.472 -9.319 -12.030 513 H ASN 71 H ASN 71 89.822 -9.688 -7.579 514 HA ASN 71 HA ASN 71 90.956 -11.913 -9.181 515 1HB ASN 71 1HB ASN 71 92.063 -9.659 -8.516 516 2HB ASN 71 2HB ASN 71 92.265 -10.393 -6.924 517 1HD2 ASN 71 2HD2 ASN 71 93.362 -12.667 -6.997 518 2HD2 ASN 71 1HD2 ASN 71 94.611 -12.873 -8.129 519 H ASN 72 H ASN 72 89.029 -13.129 -7.847 520 HA ASN 72 HA ASN 72 88.579 -14.841 -6.280 521 1HB ASN 72 1HB ASN 72 91.418 -14.789 -6.904 522 2HB ASN 72 2HB ASN 72 91.138 -15.401 -5.273 523 1HD2 ASN 72 2HD2 ASN 72 90.797 -17.618 -5.231 524 2HD2 ASN 72 1HD2 ASN 72 90.089 -18.525 -6.479 525 H TYR 73 H TYR 73 91.454 -13.664 -4.593 526 HA TYR 73 HA TYR 73 91.678 -12.536 -2.523 527 1HB TYR 73 1HB TYR 73 89.516 -11.399 -3.866 528 2HB TYR 73 2HB TYR 73 88.855 -11.797 -2.280 529 HD1 TYR 73 HD1 TYR 73 90.528 -11.241 -0.249 530 HD2 TYR 73 HD2 TYR 73 90.572 -9.340 -4.100 531 HE1 TYR 73 HE1 TYR 73 91.699 -9.286 0.730 532 HE2 TYR 73 HE2 TYR 73 91.743 -7.385 -3.122 533 HH TYR 73 HH TYR 73 91.800 -6.425 -0.455 534 H SER 74 H SER 74 91.693 -13.511 -0.532 535 HA SER 74 HA SER 74 89.337 -14.907 0.525 536 1HB SER 74 1HB SER 74 91.261 -16.252 -1.097 537 2HB SER 74 2HB SER 74 91.490 -16.813 0.557 538 HG SER 74 HG SER 74 89.839 -17.903 -0.810 539 H TYR 75 H TYR 75 89.730 -13.370 2.267 540 HA TYR 75 HA TYR 75 92.053 -14.137 4.002 541 1HB TYR 75 1HB TYR 75 92.459 -11.815 4.413 542 2HB TYR 75 2HB TYR 75 92.217 -11.945 2.671 543 HD1 TYR 75 HD1 TYR 75 90.710 -10.834 5.859 544 HD2 TYR 75 HD2 TYR 75 90.197 -11.079 1.601 545 HE1 TYR 75 HE1 TYR 75 88.811 -9.245 5.998 546 HE2 TYR 75 HE2 TYR 75 88.297 -9.490 1.739 547 HH TYR 75 HH TYR 75 87.734 -7.501 4.089 548 H SER 76 H SER 76 91.609 -13.164 6.314 549 HA SER 76 HA SER 76 88.704 -13.316 6.994 550 1HB SER 76 1HB SER 76 90.491 -15.402 7.276 551 2HB SER 76 2HB SER 76 90.537 -14.649 8.869 552 HG SER 76 HG SER 76 88.132 -14.685 8.636 553 H CYS 77 H CYS 77 88.624 -12.855 9.569 554 HA CYS 77 HA CYS 77 90.499 -10.576 10.120 555 1HB CYS 77 1HB CYS 77 88.327 -9.744 9.471 556 2HB CYS 77 2HB CYS 77 87.517 -10.854 10.567 557 H SER 78 H SER 78 90.593 -10.084 12.477 558 HA SER 78 HA SER 78 89.665 -11.721 14.576 559 1HB SER 78 1HB SER 78 90.647 -13.647 13.690 560 2HB SER 78 2HB SER 78 92.018 -12.763 13.028 561 HG SER 78 HG SER 78 93.028 -13.120 14.828 562 H ASN 79 H ASN 79 90.512 -11.028 16.566 563 HA ASN 79 HA ASN 79 91.485 -9.360 17.951 564 1HB ASN 79 1HB ASN 79 93.618 -10.816 16.413 565 2HB ASN 79 2HB ASN 79 94.081 -9.555 17.557 566 1HD2 ASN 79 2HD2 ASN 79 92.694 -12.787 17.278 567 2HD2 ASN 79 1HD2 ASN 79 92.680 -13.123 18.942 568 H ASN 80 H ASN 80 90.351 -8.016 15.841 569 HA ASN 80 HA ASN 80 90.492 -6.089 14.526 570 1HB ASN 80 1HB ASN 80 92.693 -5.387 16.456 571 2HB ASN 80 2HB ASN 80 91.485 -4.338 15.752 572 1HD2 ASN 80 2HD2 ASN 80 89.394 -6.437 16.236 573 2HD2 ASN 80 1HD2 ASN 80 89.088 -6.309 17.881 574 H GLU 81 H GLU 81 91.937 -8.219 13.483 575 HA GLU 81 HA GLU 81 94.116 -6.792 12.102 576 1HB GLU 81 1HB GLU 81 94.279 -9.405 13.598 577 2HB GLU 81 2HB GLU 81 95.480 -8.938 12.391 578 1HG GLU 81 1HG GLU 81 95.188 -6.666 13.976 579 2HG GLU 81 2HG GLU 81 95.154 -8.002 15.121 580 H ILE 82 H ILE 82 94.664 -7.759 10.041 581 HA ILE 82 HA ILE 82 92.354 -9.161 8.817 582 HB ILE 82 HB ILE 82 94.781 -7.649 7.857 583 1HG1 ILE 82 1HG1 ILE 82 92.272 -6.977 6.628 584 2HG1 ILE 82 2HG1 ILE 82 92.043 -7.059 8.375 585 1HG2 ILE 82 1HG2 ILE 82 92.869 -9.313 6.188 586 2HG2 ILE 82 2HG2 ILE 82 94.010 -8.140 5.530 587 3HG2 ILE 82 3HG2 ILE 82 94.604 -9.576 6.366 588 1HD1 ILE 82 1HD1 ILE 82 94.538 -5.742 7.805 589 2HD1 ILE 82 2HD1 ILE 82 93.246 -4.966 6.890 590 3HD1 ILE 82 3HD1 ILE 82 93.122 -5.105 8.644 591 H THR 83 H THR 83 92.488 -11.232 7.977 592 HA THR 83 HA THR 83 95.066 -12.707 8.403 593 HB THR 83 HB THR 83 92.164 -13.283 8.892 594 HG1 THR 83 HG1 THR 83 93.074 -13.071 10.763 595 1HG2 THR 83 1HG2 THR 83 94.212 -15.274 7.973 596 2HG2 THR 83 2HG2 THR 83 93.014 -15.760 9.172 597 3HG2 THR 83 3HG2 THR 83 92.493 -15.185 7.588 598 H CYS 84 H CYS 84 95.811 -12.387 6.202 599 HA CYS 84 HA CYS 84 94.047 -13.181 3.970 600 1HB CYS 84 1HB CYS 84 96.212 -11.446 4.385 601 2HB CYS 84 2HB CYS 84 96.857 -12.726 3.356 602 H SER 85 H SER 85 94.265 -15.098 2.803 603 HA SER 85 HA SER 85 95.488 -17.380 4.054 604 1HB SER 85 1HB SER 85 94.765 -18.494 1.985 605 2HB SER 85 2HB SER 85 93.515 -17.381 2.536 606 HG SER 85 HG SER 85 94.719 -15.834 1.080 607 H SER 86 H SER 86 97.456 -18.411 3.592 608 HA SER 86 HA SER 86 99.581 -16.800 2.434 609 1HB SER 86 1HB SER 86 100.952 -18.640 3.144 610 2HB SER 86 2HB SER 86 99.672 -18.493 4.345 611 HG SER 86 HG SER 86 98.944 -20.376 3.760 612 H GLU 87 H GLU 87 97.258 -18.945 1.119 613 HA GLU 87 HA GLU 87 98.722 -20.144 -1.029 614 1HB GLU 87 1HB GLU 87 95.885 -19.483 -0.346 615 2HB GLU 87 2HB GLU 87 96.237 -19.963 -2.005 616 1HG GLU 87 1HG GLU 87 97.531 -21.652 0.033 617 2HG GLU 87 2HG GLU 87 95.768 -21.719 0.053 618 H ASN 88 H ASN 88 97.497 -16.910 -0.539 619 HA ASN 88 HA ASN 88 97.140 -15.906 -3.107 620 1HB ASN 88 1HB ASN 88 98.534 -14.664 -0.716 621 2HB ASN 88 2HB ASN 88 97.864 -13.760 -2.074 622 1HD2 ASN 88 2HD2 ASN 88 96.617 -12.905 0.049 623 2HD2 ASN 88 1HD2 ASN 88 95.135 -13.674 0.349 624 H ASN 89 H ASN 89 98.493 -16.090 -4.861 625 HA ASN 89 HA ASN 89 101.325 -16.672 -4.610 626 1HB ASN 89 1HB ASN 89 101.189 -16.294 -7.128 627 2HB ASN 89 2HB ASN 89 100.070 -17.499 -6.491 628 1HD2 ASN 89 2HD2 ASN 89 98.853 -16.871 -8.593 629 2HD2 ASN 89 1HD2 ASN 89 97.787 -15.554 -8.502 630 H ALA 90 H ALA 90 102.732 -15.129 -6.247 631 HA ALA 90 HA ALA 90 103.491 -12.842 -4.909 632 1HB ALA 90 1HB ALA 90 103.477 -13.653 -7.806 633 2HB ALA 90 2HB ALA 90 104.158 -12.099 -7.328 634 3HB ALA 90 3HB ALA 90 104.835 -13.593 -6.683 635 H CYS 91 H CYS 91 100.869 -13.090 -7.312 636 HA CYS 91 HA CYS 91 100.332 -10.210 -7.258 637 1HB CYS 91 1HB CYS 91 98.951 -12.642 -8.421 638 2HB CYS 91 2HB CYS 91 98.364 -10.996 -8.662 639 H GLU 92 H GLU 92 98.512 -13.111 -6.171 640 HA GLU 92 HA GLU 92 96.373 -11.736 -4.911 641 1HB GLU 92 1HB GLU 92 97.737 -14.402 -4.553 642 2HB GLU 92 2HB GLU 92 96.368 -13.949 -3.538 643 1HG GLU 92 1HG GLU 92 95.967 -13.452 -6.417 644 2HG GLU 92 2HG GLU 92 96.133 -15.154 -5.985 645 H ALA 93 H ALA 93 99.633 -12.484 -3.769 646 HA ALA 93 HA ALA 93 99.116 -11.783 -0.991 647 1HB ALA 93 1HB ALA 93 100.924 -13.299 -1.933 648 2HB ALA 93 2HB ALA 93 101.738 -11.846 -2.514 649 3HB ALA 93 3HB ALA 93 101.503 -12.094 -0.784 650 H PHE 94 H PHE 94 100.726 -10.104 -3.720 651 HA PHE 94 HA PHE 94 101.306 -7.688 -2.288 652 1HB PHE 94 1HB PHE 94 102.243 -8.522 -4.494 653 2HB PHE 94 2HB PHE 94 100.721 -8.036 -5.243 654 HD1 PHE 94 HD1 PHE 94 100.001 -5.628 -5.145 655 HD2 PHE 94 HD2 PHE 94 103.912 -6.911 -3.918 656 HE1 PHE 94 HE1 PHE 94 100.814 -3.289 -5.289 657 HE2 PHE 94 HE2 PHE 94 104.725 -4.573 -4.063 658 HZ PHE 94 HZ PHE 94 103.176 -2.762 -4.749 659 H ILE 95 H ILE 95 98.515 -8.670 -4.289 660 HA ILE 95 HA ILE 95 97.127 -6.171 -4.230 661 HB ILE 95 HB ILE 95 96.215 -9.058 -4.430 662 1HG1 ILE 95 1HG1 ILE 95 96.727 -6.904 -6.510 663 2HG1 ILE 95 2HG1 ILE 95 97.753 -8.306 -6.205 664 1HG2 ILE 95 1HG2 ILE 95 94.468 -7.251 -3.736 665 2HG2 ILE 95 2HG2 ILE 95 94.650 -6.668 -5.390 666 3HG2 ILE 95 3HG2 ILE 95 94.082 -8.311 -5.091 667 1HD1 ILE 95 1HD1 ILE 95 95.284 -9.470 -6.551 668 2HD1 ILE 95 2HD1 ILE 95 95.221 -8.125 -7.691 669 3HD1 ILE 95 3HD1 ILE 95 96.511 -9.322 -7.809 670 H CYS 96 H CYS 96 97.097 -8.961 -2.014 671 HA CYS 96 HA CYS 96 94.989 -7.976 -0.302 672 1HB CYS 96 1HB CYS 96 95.546 -10.302 -0.306 673 2HB CYS 96 2HB CYS 96 97.256 -9.964 -0.039 674 H ASN 97 H ASN 97 98.403 -7.303 -0.579 675 HA ASN 97 HA ASN 97 98.752 -6.210 2.098 676 1HB ASN 97 1HB ASN 97 100.254 -6.313 -0.504 677 2HB ASN 97 2HB ASN 97 100.822 -5.241 0.774 678 1HD2 ASN 97 2HD2 ASN 97 102.619 -7.131 0.304 679 2HD2 ASN 97 1HD2 ASN 97 102.546 -8.401 1.421 680 H CYS 98 H CYS 98 97.867 -4.927 -1.078 681 HA CYS 98 HA CYS 98 98.148 -2.130 -0.442 682 1HB CYS 98 1HB CYS 98 96.346 -3.585 -2.407 683 2HB CYS 98 2HB CYS 98 96.775 -1.876 -2.483 684 H ASP 99 H ASP 99 95.320 -4.326 -0.427 685 HA ASP 99 HA ASP 99 93.443 -2.357 0.519 686 1HB ASP 99 1HB ASP 99 93.569 -5.380 0.458 687 2HB ASP 99 2HB ASP 99 92.157 -4.517 1.067 688 H ARG 100 H ARG 100 95.452 -4.798 2.168 689 HA ARG 100 HA ARG 100 94.361 -4.399 4.799 690 1HB ARG 100 1HB ARG 100 95.706 -6.343 4.019 691 2HB ARG 100 2HB ARG 100 97.120 -5.293 3.900 692 1HG ARG 100 1HG ARG 100 96.391 -4.731 6.430 693 2HG ARG 100 2HG ARG 100 95.766 -6.378 6.319 694 1HD ARG 100 1HD ARG 100 98.520 -5.906 5.270 695 2HD ARG 100 2HD ARG 100 98.304 -5.923 7.028 696 HE ARG 100 HE ARG 100 96.845 -8.082 5.990 697 1HH1 ARG 100 1HH1 ARG 100 99.157 -8.361 4.146 698 2HH1 ARG 100 2HH1 ARG 100 100.253 -9.339 5.064 699 1HH2 ARG 100 1HH2 ARG 100 98.653 -8.762 8.086 700 2HH2 ARG 100 2HH2 ARG 100 99.968 -9.565 7.295 701 H ASN 101 H ASN 101 97.477 -3.256 3.429 702 HA ASN 101 HA ASN 101 98.223 -1.537 5.534 703 1HB ASN 101 1HB ASN 101 98.702 -1.754 2.592 704 2HB ASN 101 2HB ASN 101 99.235 -0.278 3.391 705 1HD2 ASN 101 2HD2 ASN 101 101.311 -1.670 2.470 706 2HD2 ASN 101 1HD2 ASN 101 102.084 -2.558 3.686 707 H ALA 102 H ALA 102 95.753 -1.170 3.106 708 HA ALA 102 HA ALA 102 95.449 1.716 3.312 709 1HB ALA 102 1HB ALA 102 94.411 -0.524 1.845 710 2HB ALA 102 2HB ALA 102 93.052 0.400 2.487 711 3HB ALA 102 3HB ALA 102 94.253 1.191 1.466 712 H ALA 103 H ALA 103 93.539 -1.049 4.565 713 HA ALA 103 HA ALA 103 91.751 0.534 6.157 714 1HB ALA 103 1HB ALA 103 92.236 -2.176 5.466 715 2HB ALA 103 2HB ALA 103 92.222 -2.103 7.227 716 3HB ALA 103 3HB ALA 103 90.832 -1.525 6.310 717 H ILE 104 H ILE 104 94.964 -0.790 6.755 718 HA ILE 104 HA ILE 104 94.954 -0.469 9.626 719 HB ILE 104 HB ILE 104 97.160 -0.568 7.542 720 1HG1 ILE 104 1HG1 ILE 104 96.216 -2.756 9.405 721 2HG1 ILE 104 2HG1 ILE 104 95.513 -2.526 7.804 722 1HG2 ILE 104 1HG2 ILE 104 97.275 -0.931 10.554 723 2HG2 ILE 104 2HG2 ILE 104 98.614 -1.221 9.444 724 3HG2 ILE 104 3HG2 ILE 104 97.974 0.410 9.647 725 1HD1 ILE 104 1HD1 ILE 104 98.495 -2.775 8.208 726 2HD1 ILE 104 2HD1 ILE 104 97.467 -4.189 7.979 727 3HD1 ILE 104 3HD1 ILE 104 97.576 -2.965 6.714 728 H CYS 105 H CYS 105 95.853 1.647 6.916 729 HA CYS 105 HA CYS 105 97.098 3.714 8.485 730 1HB CYS 105 1HB CYS 105 97.045 3.193 5.921 731 2HB CYS 105 2HB CYS 105 95.563 4.149 5.929 732 H PHE 106 H PHE 106 93.758 3.317 7.256 733 HA PHE 106 HA PHE 106 92.649 5.717 8.189 734 1HB PHE 106 1HB PHE 106 91.437 2.939 8.056 735 2HB PHE 106 2HB PHE 106 90.533 4.451 8.062 736 HD1 PHE 106 HD1 PHE 106 92.456 6.058 6.316 737 HD2 PHE 106 HD2 PHE 106 90.799 2.119 5.899 738 HE1 PHE 106 HE1 PHE 106 92.704 6.212 3.853 739 HE2 PHE 106 HE2 PHE 106 91.046 2.272 3.438 740 HZ PHE 106 HZ PHE 106 91.999 4.319 2.414 741 H SER 107 H SER 107 93.101 2.615 9.846 742 HA SER 107 HA SER 107 91.863 3.546 12.336 743 1HB SER 107 1HB SER 107 91.903 1.312 12.802 744 2HB SER 107 2HB SER 107 92.329 1.141 11.102 745 HG SER 107 HG SER 107 94.562 1.394 11.846 746 H LYS 108 H LYS 108 94.942 3.898 10.907 747 HA LYS 108 HA LYS 108 96.341 4.098 13.531 748 1HB LYS 108 1HB LYS 108 97.201 4.100 10.624 749 2HB LYS 108 2HB LYS 108 98.327 4.360 11.956 750 1HG LYS 108 1HG LYS 108 96.560 2.017 12.280 751 2HG LYS 108 2HG LYS 108 97.700 1.900 10.939 752 1HD LYS 108 1HD LYS 108 99.241 2.954 12.993 753 2HD LYS 108 2HD LYS 108 98.204 1.788 13.817 754 1HE LYS 108 1HE LYS 108 99.341 0.837 11.250 755 2HE LYS 108 2HE LYS 108 100.517 1.085 12.556 756 1HZ LYS 108 1HZ LYS 108 98.023 -0.111 13.393 757 2HZ LYS 108 2HZ LYS 108 98.934 -1.083 12.339 758 3HZ LYS 108 3HZ LYS 108 99.616 -0.535 13.795 759 H VAL 109 H VAL 109 94.582 6.071 11.461 760 HA VAL 109 HA VAL 109 95.985 8.505 12.502 761 HB VAL 109 HB VAL 109 95.722 9.509 10.292 762 1HG1 VAL 109 1HG1 VAL 109 97.687 8.000 10.746 763 2HG1 VAL 109 2HG1 VAL 109 96.794 6.691 9.969 764 3HG1 VAL 109 3HG1 VAL 109 97.258 8.116 9.039 765 1HG2 VAL 109 1HG2 VAL 109 93.800 7.357 10.005 766 2HG2 VAL 109 2HG2 VAL 109 94.007 8.798 9.009 767 3HG2 VAL 109 3HG2 VAL 109 94.944 7.345 8.663 768 HA PRO 110 HA PRO 110 91.957 9.838 13.623 769 1HB PRO 110 1HB PRO 110 92.198 12.550 13.349 770 2HB PRO 110 2HB PRO 110 92.971 11.638 14.662 771 1HG PRO 110 1HG PRO 110 94.146 12.704 12.148 772 2HG PRO 110 2HG PRO 110 94.850 12.597 13.769 773 1HD PRO 110 1HD PRO 110 95.429 10.867 11.723 774 2HD PRO 110 2HD PRO 110 95.581 10.460 13.446 775 H TYR 111 H TYR 111 90.008 11.018 12.764 776 HA TYR 111 HA TYR 111 90.061 11.219 9.769 777 1HB TYR 111 1HB TYR 111 88.884 9.239 10.358 778 2HB TYR 111 2HB TYR 111 88.095 10.021 11.728 779 HD1 TYR 111 HD1 TYR 111 88.470 10.632 8.037 780 HD2 TYR 111 HD2 TYR 111 85.845 10.529 11.436 781 HE1 TYR 111 HE1 TYR 111 86.562 11.258 6.582 782 HE2 TYR 111 HE2 TYR 111 83.936 11.156 9.981 783 HH TYR 111 HH TYR 111 83.257 11.289 7.796 784 H ASN 112 H ASN 112 89.483 13.232 9.054 785 HA ASN 112 HA ASN 112 88.279 15.157 10.965 786 1HB ASN 112 1HB ASN 112 89.489 15.350 8.190 787 2HB ASN 112 2HB ASN 112 88.845 16.738 9.067 788 1HD2 ASN 112 2HD2 ASN 112 91.524 14.468 8.894 789 2HD2 ASN 112 1HD2 ASN 112 92.468 15.198 10.102 790 H LYS 113 H LYS 113 86.077 14.310 10.981 791 HA LYS 113 HA LYS 113 84.461 13.668 8.774 792 1HB LYS 113 1HB LYS 113 82.614 14.301 10.296 793 2HB LYS 113 2HB LYS 113 83.874 13.427 11.168 794 1HG LYS 113 1HG LYS 113 84.716 15.400 12.166 795 2HG LYS 113 2HG LYS 113 83.877 16.440 11.014 796 1HD LYS 113 1HD LYS 113 81.698 15.571 11.958 797 2HD LYS 113 2HD LYS 113 82.638 14.783 13.224 798 1HE LYS 113 1HE LYS 113 83.194 16.785 14.249 799 2HE LYS 113 2HE LYS 113 83.138 17.697 12.728 800 1HZ LYS 113 1HZ LYS 113 80.651 16.930 12.791 801 2HZ LYS 113 2HZ LYS 113 80.929 16.845 14.462 802 3HZ LYS 113 3HZ LYS 113 81.148 18.315 13.641 803 H GLU 114 H GLU 114 85.687 16.770 9.771 804 HA GLU 114 HA GLU 114 83.769 18.447 8.474 805 1HB GLU 114 1HB GLU 114 85.853 18.752 10.188 806 2HB GLU 114 2HB GLU 114 86.602 19.300 8.689 807 1HG GLU 114 1HG GLU 114 84.422 20.707 8.399 808 2HG GLU 114 2HG GLU 114 84.219 20.439 10.131 809 H HIS 115 H HIS 115 86.803 16.943 7.437 810 HA HIS 115 HA HIS 115 86.793 18.231 4.810 811 1HB HIS 115 1HB HIS 115 88.359 16.088 6.241 812 2HB HIS 115 2HB HIS 115 88.634 16.406 4.530 813 HD1 HIS 115 HD1 HIS 115 91.074 17.146 5.658 814 HD2 HIS 115 HD2 HIS 115 87.833 19.706 6.226 815 HE1 HIS 115 HE1 HIS 115 92.042 19.393 6.311 816 H LYS 116 H LYS 116 84.800 15.932 6.079 817 HA LYS 116 HA LYS 116 84.810 13.832 4.130 818 1HB LYS 116 1HB LYS 116 83.775 13.538 6.261 819 2HB LYS 116 2HB LYS 116 82.824 15.013 6.081 820 1HG LYS 116 1HG LYS 116 81.704 13.914 4.092 821 2HG LYS 116 2HG LYS 116 82.492 12.415 4.582 822 1HD LYS 116 1HD LYS 116 81.387 13.367 6.949 823 2HD LYS 116 2HD LYS 116 80.160 13.742 5.738 824 1HE LYS 116 1HE LYS 116 79.736 11.520 5.284 825 2HE LYS 116 2HE LYS 116 81.412 11.032 5.600 826 1HZ LYS 116 1HZ LYS 116 79.763 12.130 7.779 827 2HZ LYS 116 2HZ LYS 116 79.601 10.497 7.354 828 3HZ LYS 116 3HZ LYS 116 81.105 11.094 7.871 829 H ASN 117 H ASN 117 83.613 13.652 2.193 830 HA ASN 117 HA ASN 117 82.677 14.531 0.196 831 1HB ASN 117 1HB ASN 117 80.888 15.734 2.336 832 2HB ASN 117 2HB ASN 117 80.432 15.434 0.658 833 1HD2 ASN 117 2HD2 ASN 117 79.599 14.194 3.435 834 2HD2 ASN 117 1HD2 ASN 117 79.650 12.525 3.128 835 H LEU 118 H LEU 118 84.878 16.038 0.760 836 HA LEU 118 HA LEU 118 84.386 18.816 1.167 837 1HB LEU 118 1HB LEU 118 86.508 18.105 1.731 838 2HB LEU 118 2HB LEU 118 86.532 16.910 0.457 839 HG LEU 118 HG LEU 118 86.709 18.868 -1.163 840 1HD1 LEU 118 1HD1 LEU 118 86.252 20.425 0.981 841 2HD1 LEU 118 2HD1 LEU 118 88.011 20.339 1.087 842 3HD1 LEU 118 3HD1 LEU 118 87.245 20.979 -0.367 843 1HD2 LEU 118 1HD2 LEU 118 88.550 17.240 -0.040 844 2HD2 LEU 118 2HD2 LEU 118 88.956 18.467 -1.239 845 3HD2 LEU 118 3HD2 LEU 118 89.173 18.805 0.478 846 H ASP 119 H ASP 119 85.164 20.355 -0.647 847 HA ASP 119 HA ASP 119 83.521 19.898 -3.030 848 1HB ASP 119 1HB ASP 119 83.947 22.061 -1.642 849 2HB ASP 119 2HB ASP 119 85.451 22.167 -2.557 850 H LYS 120 H LYS 120 84.335 18.750 -4.728 851 HA LYS 120 HA LYS 120 86.897 17.795 -5.132 852 1HB LYS 120 1HB LYS 120 84.694 18.668 -6.998 853 2HB LYS 120 2HB LYS 120 86.171 17.935 -7.624 854 1HG LYS 120 1HG LYS 120 85.166 15.945 -7.237 855 2HG LYS 120 2HG LYS 120 85.487 16.256 -5.531 856 1HD LYS 120 1HD LYS 120 83.226 17.707 -5.831 857 2HD LYS 120 2HD LYS 120 82.939 16.460 -7.044 858 1HE LYS 120 1HE LYS 120 83.908 15.007 -4.883 859 2HE LYS 120 2HE LYS 120 82.879 16.238 -4.125 860 1HZ LYS 120 1HZ LYS 120 81.426 15.601 -6.267 861 2HZ LYS 120 2HZ LYS 120 82.159 14.102 -5.959 862 3HZ LYS 120 3HZ LYS 120 81.230 14.856 -4.753 863 H LYS 121 H LYS 121 85.780 21.074 -5.591 864 HA LYS 121 HA LYS 121 87.821 22.016 -7.366 865 1HB LYS 121 1HB LYS 121 85.751 23.047 -5.551 866 2HB LYS 121 2HB LYS 121 87.127 24.134 -5.745 867 1HG LYS 121 1HG LYS 121 86.847 23.601 -8.292 868 2HG LYS 121 2HG LYS 121 85.217 23.116 -7.824 869 1HD LYS 121 1HD LYS 121 86.043 25.669 -6.639 870 2HD LYS 121 2HD LYS 121 86.000 25.702 -8.402 871 1HE LYS 121 1HE LYS 121 83.682 24.303 -7.303 872 2HE LYS 121 2HE LYS 121 83.786 25.978 -6.727 873 1HZ LYS 121 1HZ LYS 121 84.485 25.604 -9.509 874 2HZ LYS 121 2HZ LYS 121 82.860 25.275 -9.153 875 3HZ LYS 121 3HZ LYS 121 83.517 26.798 -8.784 876 H ASN 122 H ASN 122 87.942 21.009 -4.139 877 HA ASN 122 HA ASN 122 90.410 22.565 -3.517 878 1HB ASN 122 1HB ASN 122 88.318 20.998 -2.069 879 2HB ASN 122 2HB ASN 122 89.930 21.031 -1.364 880 1HD2 ASN 122 2HD2 ASN 122 87.060 22.933 -1.991 881 2HD2 ASN 122 1HD2 ASN 122 87.592 24.352 -1.226 882 H CYS 123 H CYS 123 89.337 19.685 -4.838 883 HA CYS 123 HA CYS 123 91.667 18.052 -4.021 884 1HB CYS 123 1HB CYS 123 88.965 17.728 -5.233 885 2HB CYS 123 2HB CYS 123 90.170 16.530 -5.665 Start of MODEL 15 1 1H ALA 1 1H ALA 1 88.689 -7.758 -4.813 2 2H ALA 1 2H ALA 1 87.916 -8.457 -3.475 3 3H ALA 1 3H ALA 1 88.081 -9.341 -4.916 4 HA ALA 1 HA ALA 1 86.530 -7.979 -6.060 5 1HB ALA 1 1HB ALA 1 85.860 -9.753 -4.311 6 2HB ALA 1 2HB ALA 1 85.467 -8.394 -3.259 7 3HB ALA 1 3HB ALA 1 84.612 -8.601 -4.787 8 H LEU 2 H LEU 2 84.511 -6.577 -4.333 9 HA LEU 2 HA LEU 2 85.974 -3.972 -4.029 10 1HB LEU 2 1HB LEU 2 83.953 -4.657 -5.744 11 2HB LEU 2 2HB LEU 2 83.034 -4.018 -4.381 12 HG LEU 2 HG LEU 2 85.330 -2.337 -4.950 13 1HD1 LEU 2 1HD1 LEU 2 83.433 -3.005 -7.206 14 2HD1 LEU 2 2HD1 LEU 2 84.271 -1.455 -7.127 15 3HD1 LEU 2 3HD1 LEU 2 85.196 -2.953 -7.242 16 1HD2 LEU 2 1HD2 LEU 2 82.334 -2.062 -4.755 17 2HD2 LEU 2 2HD2 LEU 2 83.574 -1.408 -3.686 18 3HD2 LEU 2 3HD2 LEU 2 83.324 -0.700 -5.281 19 H TRP 3 H TRP 3 82.972 -5.564 -2.873 20 HA TRP 3 HA TRP 3 82.667 -4.021 -0.502 21 1HB TRP 3 1HB TRP 3 81.206 -5.945 0.150 22 2HB TRP 3 2HB TRP 3 80.930 -5.429 -1.515 23 HD1 TRP 3 HD1 TRP 3 81.632 -7.046 -3.450 24 HE1 TRP 3 HE1 TRP 3 82.372 -9.515 -3.501 25 HE3 TRP 3 HE3 TRP 3 82.535 -7.805 1.521 26 HZ2 TRP 3 HZ2 TRP 3 83.229 -11.542 -1.682 27 HZ3 TRP 3 HZ3 TRP 3 83.311 -10.016 2.332 28 HH2 TRP 3 HH2 TRP 3 83.660 -11.883 0.737 29 H GLN 4 H GLN 4 84.892 -6.571 -1.265 30 HA GLN 4 HA GLN 4 85.365 -7.573 1.396 31 1HB GLN 4 1HB GLN 4 86.820 -7.540 -1.243 32 2HB GLN 4 2HB GLN 4 87.596 -8.217 0.190 33 1HG GLN 4 1HG GLN 4 85.645 -9.717 0.516 34 2HG GLN 4 2HG GLN 4 84.919 -9.070 -0.955 35 1HE2 GLN 4 2HE2 GLN 4 87.002 -11.501 0.237 36 2HE2 GLN 4 1HE2 GLN 4 87.669 -11.988 -1.246 37 H PHE 5 H PHE 5 87.084 -5.121 -0.583 38 HA PHE 5 HA PHE 5 89.170 -4.415 1.106 39 1HB PHE 5 1HB PHE 5 88.668 -3.424 -1.106 40 2HB PHE 5 2HB PHE 5 87.288 -2.575 -0.410 41 HD1 PHE 5 HD1 PHE 5 90.489 -3.124 1.365 42 HD2 PHE 5 HD2 PHE 5 88.072 -0.321 -0.816 43 HE1 PHE 5 HE1 PHE 5 91.980 -1.279 2.083 44 HE2 PHE 5 HE2 PHE 5 89.564 1.525 -0.096 45 HZ PHE 5 HZ PHE 5 91.518 1.045 1.353 46 H ASN 6 H ASN 6 86.172 -2.463 1.138 47 HA ASN 6 HA ASN 6 86.476 -1.178 3.572 48 1HB ASN 6 1HB ASN 6 84.148 -2.268 2.023 49 2HB ASN 6 2HB ASN 6 83.846 -1.564 3.612 50 1HD2 ASN 6 2HD2 ASN 6 83.064 0.521 3.199 51 2HD2 ASN 6 1HD2 ASN 6 83.806 1.639 2.160 52 H GLY 7 H GLY 7 85.555 -4.545 3.010 53 1HA GLY 7 1HA GLY 7 84.668 -5.193 5.637 54 2HA GLY 7 2HA GLY 7 85.380 -6.348 4.505 55 H MET 8 H MET 8 87.926 -5.194 4.189 56 HA MET 8 HA MET 8 89.351 -6.224 6.434 57 1HB MET 8 1HB MET 8 89.962 -4.417 4.096 58 2HB MET 8 2HB MET 8 91.205 -4.762 5.300 59 1HG MET 8 1HG MET 8 90.503 -7.261 4.918 60 2HG MET 8 2HG MET 8 89.839 -6.651 3.403 61 1HE MET 8 1HE MET 8 91.690 -8.742 4.008 62 2HE MET 8 2HE MET 8 92.449 -8.623 2.414 63 3HE MET 8 3HE MET 8 93.430 -8.505 3.873 64 H ILE 9 H ILE 9 88.363 -2.911 5.569 65 HA ILE 9 HA ILE 9 89.701 -1.520 7.670 66 HB ILE 9 HB ILE 9 87.059 -1.024 6.253 67 1HG1 ILE 9 1HG1 ILE 9 89.800 0.151 5.704 68 2HG1 ILE 9 2HG1 ILE 9 89.159 -1.252 4.847 69 1HG2 ILE 9 1HG2 ILE 9 88.240 0.327 8.464 70 2HG2 ILE 9 2HG2 ILE 9 88.436 1.364 7.051 71 3HG2 ILE 9 3HG2 ILE 9 86.829 0.817 7.526 72 1HD1 ILE 9 1HD1 ILE 9 87.092 0.644 4.769 73 2HD1 ILE 9 2HD1 ILE 9 88.564 1.562 4.450 74 3HD1 ILE 9 3HD1 ILE 9 88.148 0.183 3.433 75 H LYS 10 H LYS 10 86.501 -3.085 7.526 76 HA LYS 10 HA LYS 10 85.525 -2.326 10.086 77 1HB LYS 10 1HB LYS 10 85.158 -4.669 8.221 78 2HB LYS 10 2HB LYS 10 84.316 -4.626 9.770 79 1HG LYS 10 1HG LYS 10 83.583 -2.235 9.054 80 2HG LYS 10 2HG LYS 10 84.043 -2.747 7.430 81 1HD LYS 10 1HD LYS 10 82.470 -4.561 7.462 82 2HD LYS 10 2HD LYS 10 82.155 -4.336 9.184 83 1HE LYS 10 1HE LYS 10 81.446 -1.898 8.434 84 2HE LYS 10 2HE LYS 10 81.210 -2.685 6.860 85 1HZ LYS 10 1HZ LYS 10 80.033 -4.489 8.189 86 2HZ LYS 10 2HZ LYS 10 79.960 -3.359 9.456 87 3HZ LYS 10 3HZ LYS 10 79.200 -3.023 7.978 88 H CYS 11 H CYS 11 87.746 -4.893 9.086 89 HA CYS 11 HA CYS 11 87.836 -6.383 11.496 90 1HB CYS 11 1HB CYS 11 88.734 -6.954 9.208 91 2HB CYS 11 2HB CYS 11 90.054 -5.827 9.508 92 H LYS 12 H LYS 12 89.851 -3.679 10.341 93 HA LYS 12 HA LYS 12 91.518 -3.501 12.680 94 1HB LYS 12 1HB LYS 12 90.741 -1.691 10.394 95 2HB LYS 12 2HB LYS 12 91.817 -1.119 11.671 96 1HG LYS 12 1HG LYS 12 92.489 -3.779 10.567 97 2HG LYS 12 2HG LYS 12 92.680 -2.433 9.443 98 1HD LYS 12 1HD LYS 12 94.770 -2.578 10.558 99 2HD LYS 12 2HD LYS 12 93.933 -1.244 11.351 100 1HE LYS 12 1HE LYS 12 93.228 -2.737 13.178 101 2HE LYS 12 2HE LYS 12 94.026 -4.106 12.376 102 1HZ LYS 12 1HZ LYS 12 96.087 -2.720 12.363 103 2HZ LYS 12 2HZ LYS 12 95.294 -1.616 13.380 104 3HZ LYS 12 3HZ LYS 12 95.579 -3.205 13.911 105 H ILE 13 H ILE 13 88.447 -1.961 11.765 106 HA ILE 13 HA ILE 13 88.135 -1.064 14.602 107 HB ILE 13 HB ILE 13 87.481 0.584 12.144 108 1HG1 ILE 13 1HG1 ILE 13 89.866 0.847 14.000 109 2HG1 ILE 13 2HG1 ILE 13 89.939 0.130 12.389 110 1HG2 ILE 13 1HG2 ILE 13 86.241 1.065 14.269 111 2HG2 ILE 13 2HG2 ILE 13 87.789 1.366 15.057 112 3HG2 ILE 13 3HG2 ILE 13 87.254 2.406 13.737 113 1HD1 ILE 13 1HD1 ILE 13 88.974 2.946 12.969 114 2HD1 ILE 13 2HD1 ILE 13 90.595 2.542 12.402 115 3HD1 ILE 13 3HD1 ILE 13 89.195 2.219 11.377 116 HA PRO 14 HA PRO 14 84.373 -3.241 13.109 117 1HB PRO 14 1HB PRO 14 83.878 -4.493 15.493 118 2HB PRO 14 2HB PRO 14 84.972 -5.155 14.261 119 1HG PRO 14 1HG PRO 14 85.610 -3.686 16.768 120 2HG PRO 14 2HG PRO 14 86.446 -5.054 16.018 121 1HD PRO 14 1HD PRO 14 87.317 -2.471 15.848 122 2HD PRO 14 2HD PRO 14 87.664 -3.712 14.622 123 H SER 15 H SER 15 85.128 -1.120 15.750 124 HA SER 15 HA SER 15 82.307 -0.657 16.493 125 1HB SER 15 1HB SER 15 83.317 0.787 18.169 126 2HB SER 15 2HB SER 15 84.259 -0.699 18.087 127 HG SER 15 HG SER 15 85.552 0.555 16.473 128 H SER 16 H SER 16 83.865 0.134 13.808 129 HA SER 16 HA SER 16 82.508 2.782 13.585 130 1HB SER 16 1HB SER 16 85.393 2.151 12.880 131 2HB SER 16 2HB SER 16 84.588 3.684 12.558 132 HG SER 16 HG SER 16 84.962 4.212 14.548 133 H GLU 17 H GLU 17 81.455 2.954 11.630 134 HA GLU 17 HA GLU 17 81.592 0.719 9.732 135 1HB GLU 17 1HB GLU 17 79.981 3.223 10.139 136 2HB GLU 17 2HB GLU 17 79.876 2.368 8.599 137 1HG GLU 17 1HG GLU 17 78.133 1.572 10.138 138 2HG GLU 17 2HG GLU 17 79.294 0.286 9.805 139 HA PRO 18 HA PRO 18 84.544 2.761 7.143 140 1HB PRO 18 1HB PRO 18 84.395 1.037 5.029 141 2HB PRO 18 2HB PRO 18 85.232 0.638 6.542 142 1HG PRO 18 1HG PRO 18 82.576 -0.237 5.563 143 2HG PRO 18 2HG PRO 18 83.761 -1.103 6.549 144 1HD PRO 18 1HD PRO 18 81.468 0.112 7.515 145 2HD PRO 18 2HD PRO 18 82.890 -0.315 8.490 146 H LEU 19 H LEU 19 81.411 1.718 5.776 147 HA LEU 19 HA LEU 19 81.504 3.494 3.493 148 1HB LEU 19 1HB LEU 19 79.331 1.980 4.962 149 2HB LEU 19 2HB LEU 19 79.024 2.886 3.479 150 HG LEU 19 HG LEU 19 81.334 1.331 2.987 151 1HD1 LEU 19 1HD1 LEU 19 79.542 0.069 4.896 152 2HD1 LEU 19 2HD1 LEU 19 79.638 -0.861 3.402 153 3HD1 LEU 19 3HD1 LEU 19 81.107 -0.486 4.303 154 1HD2 LEU 19 1HD2 LEU 19 79.581 2.001 1.365 155 2HD2 LEU 19 2HD2 LEU 19 79.870 0.261 1.319 156 3HD2 LEU 19 3HD2 LEU 19 78.449 0.898 2.148 157 H LEU 20 H LEU 20 80.919 4.049 6.824 158 HA LEU 20 HA LEU 20 79.308 6.503 6.272 159 1HB LEU 20 1HB LEU 20 79.990 4.933 8.778 160 2HB LEU 20 2HB LEU 20 79.021 6.407 8.778 161 HG LEU 20 HG LEU 20 78.360 3.873 7.246 162 1HD1 LEU 20 1HD1 LEU 20 78.064 3.644 9.688 163 2HD1 LEU 20 2HD1 LEU 20 77.088 5.113 9.708 164 3HD1 LEU 20 3HD1 LEU 20 76.506 3.678 8.864 165 1HD2 LEU 20 1HD2 LEU 20 77.541 6.579 6.883 166 2HD2 LEU 20 2HD2 LEU 20 76.911 5.141 6.079 167 3HD2 LEU 20 3HD2 LEU 20 76.176 5.706 7.579 168 H ASP 21 H ASP 21 82.523 5.569 6.698 169 HA ASP 21 HA ASP 21 83.270 8.359 7.493 170 1HB ASP 21 1HB ASP 21 83.818 5.753 8.782 171 2HB ASP 21 2HB ASP 21 85.224 6.807 8.620 172 H PHE 22 H PHE 22 84.819 5.277 6.498 173 HA PHE 22 HA PHE 22 86.784 6.739 4.863 174 1HB PHE 22 1HB PHE 22 86.316 3.755 5.034 175 2HB PHE 22 2HB PHE 22 87.828 4.601 4.709 176 HD1 PHE 22 HD1 PHE 22 88.039 6.633 6.719 177 HD2 PHE 22 HD2 PHE 22 86.461 2.655 7.088 178 HE1 PHE 22 HE1 PHE 22 88.551 6.655 9.146 179 HE2 PHE 22 HE2 PHE 22 86.972 2.677 9.515 180 HZ PHE 22 HZ PHE 22 88.018 4.677 10.544 181 H ASN 23 H ASN 23 84.139 7.166 3.912 182 HA ASN 23 HA ASN 23 84.316 5.811 1.254 183 1HB ASN 23 1HB ASN 23 82.724 4.521 2.511 184 2HB ASN 23 2HB ASN 23 81.953 5.976 3.142 185 1HD2 ASN 23 2HD2 ASN 23 79.962 6.252 2.135 186 2HD2 ASN 23 1HD2 ASN 23 79.657 5.986 0.487 187 H ASN 24 H ASN 24 84.320 7.398 -0.278 188 HA ASN 24 HA ASN 24 83.837 9.432 -1.379 189 1HB ASN 24 1HB ASN 24 81.533 8.519 -0.833 190 2HB ASN 24 2HB ASN 24 81.550 9.541 0.606 191 1HD2 ASN 24 2HD2 ASN 24 79.880 11.001 -0.128 192 2HD2 ASN 24 1HD2 ASN 24 80.108 12.047 -1.444 193 H TYR 25 H TYR 25 85.869 9.805 0.312 194 HA TYR 25 HA TYR 25 85.263 12.434 1.590 195 1HB TYR 25 1HB TYR 25 85.107 10.909 3.410 196 2HB TYR 25 2HB TYR 25 86.458 9.944 2.820 197 HD1 TYR 25 HD1 TYR 25 88.786 11.043 2.758 198 HD2 TYR 25 HD2 TYR 25 85.460 12.673 4.933 199 HE1 TYR 25 HE1 TYR 25 90.347 12.393 4.132 200 HE2 TYR 25 HE2 TYR 25 87.020 14.025 6.306 201 HH TYR 25 HH TYR 25 90.441 14.213 5.552 202 H GLY 26 H GLY 26 87.321 13.675 1.978 203 1HA GLY 26 1HA GLY 26 89.330 14.535 1.098 204 2HA GLY 26 2HA GLY 26 89.890 12.868 1.201 205 H CYS 27 H CYS 27 91.089 13.545 -0.793 206 HA CYS 27 HA CYS 27 89.471 13.821 -3.253 207 1HB CYS 27 1HB CYS 27 92.463 13.676 -2.762 208 2HB CYS 27 2HB CYS 27 91.687 14.189 -4.260 209 H TYR 28 H TYR 28 91.103 11.303 -1.474 210 HA TYR 28 HA TYR 28 90.955 9.516 -3.873 211 1HB TYR 28 1HB TYR 28 92.597 9.437 -1.327 212 2HB TYR 28 2HB TYR 28 92.645 8.187 -2.572 213 HD1 TYR 28 HD1 TYR 28 93.451 8.736 -4.873 214 HD2 TYR 28 HD2 TYR 28 93.661 11.570 -1.652 215 HE1 TYR 28 HE1 TYR 28 95.055 10.103 -6.180 216 HE2 TYR 28 HE2 TYR 28 95.266 12.936 -2.959 217 HH TYR 28 HH TYR 28 96.906 11.815 -5.607 218 H CYS 29 H CYS 29 90.526 9.365 -0.298 219 HA CYS 29 HA CYS 29 89.332 6.895 0.011 220 1HB CYS 29 1HB CYS 29 88.443 9.545 1.197 221 2HB CYS 29 2HB CYS 29 88.081 7.961 1.875 222 H GLY 30 H GLY 30 87.900 6.056 -1.503 223 1HA GLY 30 1HA GLY 30 85.230 6.369 -1.577 224 2HA GLY 30 2HA GLY 30 85.719 7.758 -2.548 225 H LEU 31 H LEU 31 85.362 7.236 -4.652 226 HA LEU 31 HA LEU 31 86.528 4.672 -5.664 227 1HB LEU 31 1HB LEU 31 84.020 4.609 -5.184 228 2HB LEU 31 2HB LEU 31 83.835 5.797 -6.474 229 HG LEU 31 HG LEU 31 85.235 4.114 -7.895 230 1HD1 LEU 31 1HD1 LEU 31 84.330 2.456 -5.537 231 2HD1 LEU 31 2HD1 LEU 31 84.639 1.728 -7.114 232 3HD1 LEU 31 3HD1 LEU 31 85.939 2.552 -6.253 233 1HD2 LEU 31 1HD2 LEU 31 82.383 3.514 -7.043 234 2HD2 LEU 31 2HD2 LEU 31 82.868 4.641 -8.311 235 3HD2 LEU 31 3HD2 LEU 31 83.150 2.912 -8.513 236 H GLY 32 H GLY 32 87.057 7.755 -5.787 237 1HA GLY 32 1HA GLY 32 88.077 7.780 -8.479 238 2HA GLY 32 2HA GLY 32 86.607 8.752 -8.376 239 H GLY 33 H GLY 33 86.868 10.842 -7.757 240 1HA GLY 33 1HA GLY 33 87.959 12.794 -7.041 241 2HA GLY 33 2HA GLY 33 88.493 11.808 -5.679 242 H SER 34 H SER 34 90.281 13.644 -6.431 243 HA SER 34 HA SER 34 92.644 12.217 -7.056 244 1HB SER 34 1HB SER 34 91.864 11.755 -9.225 245 2HB SER 34 2HB SER 34 91.052 13.312 -9.363 246 HG SER 34 HG SER 34 93.326 12.765 -10.361 247 H GLY 35 H GLY 35 94.492 13.644 -7.122 248 1HA GLY 35 1HA GLY 35 95.309 15.988 -7.480 249 2HA GLY 35 2HA GLY 35 93.824 16.529 -6.698 250 H THR 36 H THR 36 95.921 17.555 -5.521 251 HA THR 36 HA THR 36 97.499 16.177 -3.675 252 HB THR 36 HB THR 36 96.046 18.788 -3.169 253 HG1 THR 36 HG1 THR 36 98.428 18.402 -4.643 254 1HG2 THR 36 1HG2 THR 36 98.819 17.804 -2.442 255 2HG2 THR 36 2HG2 THR 36 98.163 19.396 -2.062 256 3HG2 THR 36 3HG2 THR 36 97.457 17.954 -1.332 257 HA PRO 37 HA PRO 37 94.629 14.449 -0.804 258 1HB PRO 37 1HB PRO 37 96.294 14.193 1.358 259 2HB PRO 37 2HB PRO 37 96.366 13.118 -0.053 260 1HG PRO 37 1HG PRO 37 98.085 15.451 0.639 261 2HG PRO 37 2HG PRO 37 98.531 13.892 -0.074 262 1HD PRO 37 1HD PRO 37 98.274 16.168 -1.532 263 2HD PRO 37 2HD PRO 37 97.966 14.549 -2.197 264 H VAL 38 H VAL 38 93.798 14.940 1.499 265 HA VAL 38 HA VAL 38 94.011 17.886 2.046 266 HB VAL 38 HB VAL 38 91.604 17.572 2.809 267 1HG1 VAL 38 1HG1 VAL 38 92.486 17.082 -0.035 268 2HG1 VAL 38 2HG1 VAL 38 90.778 17.221 0.382 269 3HG1 VAL 38 3HG1 VAL 38 91.872 18.571 0.683 270 1HG2 VAL 38 1HG2 VAL 38 91.920 15.053 3.070 271 2HG2 VAL 38 2HG2 VAL 38 90.452 15.552 2.228 272 3HG2 VAL 38 3HG2 VAL 38 91.834 14.951 1.311 273 H ASP 39 H ASP 39 93.852 14.632 3.402 274 HA ASP 39 HA ASP 39 94.822 15.714 5.999 275 1HB ASP 39 1HB ASP 39 92.420 15.699 6.239 276 2HB ASP 39 2HB ASP 39 92.308 14.084 5.538 277 H ASP 40 H ASP 40 95.575 13.882 7.431 278 HA ASP 40 HA ASP 40 97.341 12.107 6.151 279 1HB ASP 40 1HB ASP 40 96.230 12.606 8.799 280 2HB ASP 40 2HB ASP 40 96.564 10.892 8.553 281 H LEU 41 H LEU 41 93.955 11.576 7.140 282 HA LEU 41 HA LEU 41 93.843 8.776 6.544 283 1HB LEU 41 1HB LEU 41 92.212 10.287 7.829 284 2HB LEU 41 2HB LEU 41 91.598 10.786 6.252 285 HG LEU 41 HG LEU 41 91.203 8.371 5.704 286 1HD1 LEU 41 1HD1 LEU 41 91.936 8.027 8.626 287 2HD1 LEU 41 2HD1 LEU 41 91.213 6.776 7.614 288 3HD1 LEU 41 3HD1 LEU 41 92.826 7.386 7.244 289 1HD2 LEU 41 1HD2 LEU 41 89.597 10.075 7.042 290 2HD2 LEU 41 2HD2 LEU 41 89.112 8.424 6.656 291 3HD2 LEU 41 3HD2 LEU 41 89.739 8.807 8.260 292 H ASP 42 H ASP 42 93.047 11.645 4.561 293 HA ASP 42 HA ASP 42 92.176 10.287 2.227 294 1HB ASP 42 1HB ASP 42 92.066 12.752 2.812 295 2HB ASP 42 2HB ASP 42 93.777 12.857 2.396 296 H ARG 43 H ARG 43 95.432 11.177 3.331 297 HA ARG 43 HA ARG 43 96.929 10.526 1.024 298 1HB ARG 43 1HB ARG 43 97.302 10.653 3.984 299 2HB ARG 43 2HB ARG 43 98.590 9.911 3.034 300 1HG ARG 43 1HG ARG 43 97.965 12.160 1.558 301 2HG ARG 43 2HG ARG 43 97.791 12.726 3.220 302 1HD ARG 43 1HD ARG 43 100.125 12.948 2.268 303 2HD ARG 43 2HD ARG 43 100.046 12.001 3.758 304 HE ARG 43 HE ARG 43 99.647 10.247 1.582 305 1HH1 ARG 43 1HH1 ARG 43 101.716 10.110 3.863 306 2HH1 ARG 43 2HH1 ARG 43 103.188 10.075 2.950 307 1HH2 ARG 43 1HH2 ARG 43 101.697 11.120 0.000 308 2HH2 ARG 43 2HH2 ARG 43 103.177 10.644 0.765 309 H CYS 44 H CYS 44 95.801 8.468 3.697 310 HA CYS 44 HA CYS 44 97.122 6.078 2.994 311 1HB CYS 44 1HB CYS 44 94.327 6.410 4.122 312 2HB CYS 44 2HB CYS 44 95.402 5.039 4.369 313 H CYS 45 H CYS 45 93.972 7.360 1.973 314 HA CYS 45 HA CYS 45 93.151 5.163 0.340 315 1HB CYS 45 1HB CYS 45 92.585 8.142 0.288 316 2HB CYS 45 2HB CYS 45 91.686 6.964 -0.669 317 H GLN 46 H GLN 46 94.901 8.170 -0.471 318 HA GLN 46 HA GLN 46 95.127 7.796 -3.272 319 1HB GLN 46 1HB GLN 46 95.716 9.832 -1.971 320 2HB GLN 46 2HB GLN 46 97.099 8.979 -1.285 321 1HG GLN 46 1HG GLN 46 98.143 8.778 -3.447 322 2HG GLN 46 2HG GLN 46 96.695 9.365 -4.262 323 1HE2 GLN 46 2HE2 GLN 46 98.745 10.864 -4.964 324 2HE2 GLN 46 1HE2 GLN 46 98.846 12.310 -4.090 325 H THR 47 H THR 47 97.200 6.655 -0.620 326 HA THR 47 HA THR 47 99.189 5.375 -2.206 327 HB THR 47 HB THR 47 98.147 4.687 0.555 328 HG1 THR 47 HG1 THR 47 99.208 6.386 1.259 329 1HG2 THR 47 1HG2 THR 47 99.741 3.058 -0.408 330 2HG2 THR 47 2HG2 THR 47 100.891 4.366 -0.693 331 3HG2 THR 47 3HG2 THR 47 100.447 3.926 0.957 332 H HIS 48 H HIS 48 95.994 4.400 -1.137 333 HA HIS 48 HA HIS 48 96.169 1.579 -1.501 334 1HB HIS 48 1HB HIS 48 94.336 2.917 -0.412 335 2HB HIS 48 2HB HIS 48 93.834 3.451 -2.016 336 HD1 HIS 48 HD1 HIS 48 92.232 1.958 -3.224 337 HD2 HIS 48 HD2 HIS 48 94.222 -0.063 -0.170 338 HE1 HIS 48 HE1 HIS 48 91.204 -0.353 -3.106 339 H ASP 49 H ASP 49 95.056 4.128 -3.736 340 HA ASP 49 HA ASP 49 94.651 2.464 -5.999 341 1HB ASP 49 1HB ASP 49 95.130 5.361 -5.423 342 2HB ASP 49 2HB ASP 49 95.202 4.829 -7.101 343 H ASN 50 H ASN 50 97.475 4.354 -4.941 344 HA ASN 50 HA ASN 50 99.220 3.834 -7.086 345 1HB ASN 50 1HB ASN 50 99.494 4.388 -4.140 346 2HB ASN 50 2HB ASN 50 100.934 4.110 -5.119 347 1HD2 ASN 50 2HD2 ASN 50 98.571 6.469 -4.239 348 2HD2 ASN 50 1HD2 ASN 50 99.034 7.668 -5.348 349 H CYS 51 H CYS 51 98.290 1.830 -4.340 350 HA CYS 51 HA CYS 51 100.385 -0.156 -4.674 351 1HB CYS 51 1HB CYS 51 98.854 0.444 -2.651 352 2HB CYS 51 2HB CYS 51 97.667 -0.596 -3.437 353 H TYR 52 H TYR 52 97.021 0.164 -5.797 354 HA TYR 52 HA TYR 52 96.772 -2.444 -6.966 355 1HB TYR 52 1HB TYR 52 95.463 0.238 -7.163 356 2HB TYR 52 2HB TYR 52 95.091 -0.943 -8.418 357 HD1 TYR 52 HD1 TYR 52 95.989 -1.865 -4.954 358 HD2 TYR 52 HD2 TYR 52 92.786 -1.325 -7.766 359 HE1 TYR 52 HE1 TYR 52 94.434 -3.021 -3.405 360 HE2 TYR 52 HE2 TYR 52 91.232 -2.482 -6.218 361 HH TYR 52 HH TYR 52 91.001 -3.492 -4.262 362 H LYS 53 H LYS 53 98.271 0.533 -8.067 363 HA LYS 53 HA LYS 53 98.477 -0.197 -10.878 364 1HB LYS 53 1HB LYS 53 100.389 1.614 -9.403 365 2HB LYS 53 2HB LYS 53 99.742 1.795 -11.031 366 1HG LYS 53 1HG LYS 53 97.575 1.788 -9.148 367 2HG LYS 53 2HG LYS 53 98.775 2.970 -8.648 368 1HD LYS 53 1HD LYS 53 97.907 4.358 -10.197 369 2HD LYS 53 2HD LYS 53 98.600 3.291 -11.418 370 1HE LYS 53 1HE LYS 53 96.549 2.534 -12.030 371 2HE LYS 53 2HE LYS 53 96.091 2.234 -10.342 372 1HZ LYS 53 1HZ LYS 53 96.264 4.955 -11.507 373 2HZ LYS 53 2HZ LYS 53 94.820 4.060 -11.483 374 3HZ LYS 53 3HZ LYS 53 95.567 4.501 -10.026 375 H GLN 54 H GLN 54 100.824 -0.001 -8.242 376 HA GLN 54 HA GLN 54 103.024 -1.255 -9.448 377 1HB GLN 54 1HB GLN 54 101.916 -1.042 -6.663 378 2HB GLN 54 2HB GLN 54 103.362 -2.014 -6.940 379 1HG GLN 54 1HG GLN 54 103.782 0.376 -8.369 380 2HG GLN 54 2HG GLN 54 103.106 0.868 -6.816 381 1HE2 GLN 54 2HE2 GLN 54 105.045 1.585 -5.795 382 2HE2 GLN 54 1HE2 GLN 54 106.363 0.564 -5.484 383 H ALA 55 H ALA 55 100.135 -2.640 -7.982 384 HA ALA 55 HA ALA 55 100.920 -5.379 -7.860 385 1HB ALA 55 1HB ALA 55 98.588 -3.726 -7.568 386 2HB ALA 55 2HB ALA 55 98.158 -5.137 -8.536 387 3HB ALA 55 3HB ALA 55 98.860 -5.348 -6.932 388 H LYS 56 H LYS 56 99.495 -3.451 -10.495 389 HA LYS 56 HA LYS 56 99.101 -5.620 -12.338 390 1HB LYS 56 1HB LYS 56 99.347 -2.632 -12.428 391 2HB LYS 56 2HB LYS 56 99.375 -3.522 -13.951 392 1HG LYS 56 1HG LYS 56 97.272 -4.504 -12.200 393 2HG LYS 56 2HG LYS 56 97.095 -2.775 -12.503 394 1HD LYS 56 1HD LYS 56 97.729 -4.557 -14.822 395 2HD LYS 56 2HD LYS 56 96.082 -4.564 -14.189 396 1HE LYS 56 1HE LYS 56 97.068 -1.840 -14.412 397 2HE LYS 56 2HE LYS 56 97.160 -2.679 -15.973 398 1HZ LYS 56 1HZ LYS 56 94.884 -3.475 -15.611 399 2HZ LYS 56 2HZ LYS 56 94.795 -2.574 -14.175 400 3HZ LYS 56 3HZ LYS 56 94.951 -1.778 -15.665 401 H LYS 57 H LYS 57 101.848 -3.423 -11.760 402 HA LYS 57 HA LYS 57 103.489 -4.185 -13.923 403 1HB LYS 57 1HB LYS 57 103.628 -2.715 -11.457 404 2HB LYS 57 2HB LYS 57 105.078 -3.707 -11.608 405 1HG LYS 57 1HG LYS 57 105.886 -2.452 -13.309 406 2HG LYS 57 2HG LYS 57 104.323 -2.410 -14.125 407 1HD LYS 57 1HD LYS 57 103.885 -0.348 -13.330 408 2HD LYS 57 2HD LYS 57 104.251 -0.850 -11.680 409 1HE LYS 57 1HE LYS 57 106.287 0.147 -11.755 410 2HE LYS 57 2HE LYS 57 106.674 -0.635 -13.300 411 1HZ LYS 57 1HZ LYS 57 104.601 1.395 -13.396 412 2HZ LYS 57 2HZ LYS 57 106.165 1.975 -13.074 413 3HZ LYS 57 3HZ LYS 57 105.867 1.085 -14.486 414 H LEU 58 H LEU 58 102.983 -5.689 -10.757 415 HA LEU 58 HA LEU 58 105.085 -7.538 -10.689 416 1HB LEU 58 1HB LEU 58 102.343 -7.264 -9.611 417 2HB LEU 58 2HB LEU 58 102.992 -8.904 -9.595 418 HG LEU 58 HG LEU 58 104.492 -6.506 -8.515 419 1HD1 LEU 58 1HD1 LEU 58 102.233 -7.283 -7.373 420 2HD1 LEU 58 2HD1 LEU 58 103.242 -8.597 -6.768 421 3HD1 LEU 58 3HD1 LEU 58 103.651 -6.924 -6.389 422 1HD2 LEU 58 1HD2 LEU 58 105.487 -8.899 -9.272 423 2HD2 LEU 58 2HD2 LEU 58 106.130 -7.996 -7.901 424 3HD2 LEU 58 3HD2 LEU 58 104.982 -9.306 -7.632 425 H ASP 59 H ASP 59 105.642 -8.949 -12.311 426 HA ASP 59 HA ASP 59 104.235 -9.725 -14.559 427 1HB ASP 59 1HB ASP 59 106.401 -10.789 -12.872 428 2HB ASP 59 2HB ASP 59 105.603 -12.016 -13.857 429 H SER 60 H SER 60 104.333 -11.688 -11.555 430 HA SER 60 HA SER 60 102.546 -13.694 -12.132 431 1HB SER 60 1HB SER 60 103.564 -12.314 -9.817 432 2HB SER 60 2HB SER 60 101.877 -12.744 -9.544 433 HG SER 60 HG SER 60 103.011 -14.527 -8.985 434 H CYS 61 H CYS 61 101.744 -10.300 -11.596 435 HA CYS 61 HA CYS 61 98.841 -10.875 -11.520 436 1HB CYS 61 1HB CYS 61 100.544 -8.373 -11.355 437 2HB CYS 61 2HB CYS 61 98.784 -8.361 -11.239 438 H LYS 62 H LYS 62 101.225 -9.341 -13.682 439 HA LYS 62 HA LYS 62 99.266 -8.485 -15.648 440 1HB LYS 62 1HB LYS 62 101.557 -7.532 -15.245 441 2HB LYS 62 2HB LYS 62 102.241 -9.010 -15.920 442 1HG LYS 62 1HG LYS 62 100.716 -8.515 -17.968 443 2HG LYS 62 2HG LYS 62 100.624 -6.881 -17.310 444 1HD LYS 62 1HD LYS 62 103.317 -7.388 -17.153 445 2HD LYS 62 2HD LYS 62 102.878 -8.251 -18.627 446 1HE LYS 62 1HE LYS 62 101.540 -6.004 -19.143 447 2HE LYS 62 2HE LYS 62 102.758 -5.314 -18.051 448 1HZ LYS 62 1HZ LYS 62 103.657 -7.250 -20.050 449 2HZ LYS 62 2HZ LYS 62 103.263 -5.692 -20.601 450 3HZ LYS 62 3HZ LYS 62 104.463 -5.898 -19.417 451 H VAL 63 H VAL 63 100.359 -11.553 -14.801 452 HA VAL 63 HA VAL 63 100.118 -12.614 -17.583 453 HB VAL 63 HB VAL 63 101.254 -14.560 -16.641 454 1HG1 VAL 63 1HG1 VAL 63 102.284 -11.823 -16.350 455 2HG1 VAL 63 2HG1 VAL 63 103.131 -13.006 -15.354 456 3HG1 VAL 63 3HG1 VAL 63 103.034 -13.232 -17.100 457 1HG2 VAL 63 1HG2 VAL 63 100.028 -14.404 -14.423 458 2HG2 VAL 63 2HG2 VAL 63 101.751 -14.762 -14.294 459 3HG2 VAL 63 3HG2 VAL 63 101.162 -13.131 -13.971 460 H LEU 64 H LEU 64 98.211 -12.109 -14.867 461 HA LEU 64 HA LEU 64 96.661 -14.628 -15.133 462 1HB LEU 64 1HB LEU 64 96.570 -12.220 -13.293 463 2HB LEU 64 2HB LEU 64 95.432 -13.563 -13.183 464 HG LEU 64 HG LEU 64 98.447 -13.747 -12.918 465 1HD1 LEU 64 1HD1 LEU 64 96.599 -12.962 -11.038 466 2HD1 LEU 64 2HD1 LEU 64 96.682 -14.701 -10.760 467 3HD1 LEU 64 3HD1 LEU 64 98.147 -13.722 -10.666 468 1HD2 LEU 64 1HD2 LEU 64 96.384 -15.723 -13.535 469 2HD2 LEU 64 2HD2 LEU 64 98.139 -15.889 -13.583 470 3HD2 LEU 64 3HD2 LEU 64 97.271 -16.128 -12.065 471 H VAL 65 H VAL 65 95.612 -11.232 -14.770 472 HA VAL 65 HA VAL 65 94.081 -11.386 -17.252 473 HB VAL 65 HB VAL 65 92.890 -11.090 -14.502 474 1HG1 VAL 65 1HG1 VAL 65 91.909 -10.313 -17.155 475 2HG1 VAL 65 2HG1 VAL 65 90.799 -11.388 -16.302 476 3HG1 VAL 65 3HG1 VAL 65 91.299 -9.868 -15.560 477 1HG2 VAL 65 1HG2 VAL 65 92.734 -13.248 -16.620 478 2HG2 VAL 65 2HG2 VAL 65 93.316 -13.404 -14.961 479 3HG2 VAL 65 3HG2 VAL 65 91.598 -13.156 -15.274 480 H ASP 66 H ASP 66 96.169 -9.792 -15.792 481 HA ASP 66 HA ASP 66 96.674 -7.502 -15.261 482 1HB ASP 66 1HB ASP 66 96.249 -6.235 -17.476 483 2HB ASP 66 2HB ASP 66 97.238 -7.694 -17.556 484 H ASN 67 H ASN 67 94.559 -7.695 -13.706 485 HA ASN 67 HA ASN 67 93.148 -5.170 -14.013 486 1HB ASN 67 1HB ASN 67 91.958 -6.488 -15.681 487 2HB ASN 67 2HB ASN 67 91.720 -7.798 -14.523 488 1HD2 ASN 67 2HD2 ASN 67 90.201 -5.095 -15.849 489 2HD2 ASN 67 1HD2 ASN 67 89.041 -4.832 -14.639 490 HA PRO 68 HA PRO 68 93.359 -6.826 -9.738 491 1HB PRO 68 1HB PRO 68 94.218 -4.489 -8.610 492 2HB PRO 68 2HB PRO 68 95.325 -5.669 -9.339 493 1HG PRO 68 1HG PRO 68 94.311 -3.102 -10.430 494 2HG PRO 68 2HG PRO 68 95.896 -3.864 -10.619 495 1HD PRO 68 1HD PRO 68 93.911 -3.892 -12.528 496 2HD PRO 68 2HD PRO 68 95.230 -5.079 -12.426 497 H TYR 69 H TYR 69 90.919 -6.250 -10.865 498 HA TYR 69 HA TYR 69 89.652 -4.509 -8.792 499 1HB TYR 69 1HB TYR 69 90.167 -3.641 -11.319 500 2HB TYR 69 2HB TYR 69 88.579 -4.370 -11.556 501 HD1 TYR 69 HD1 TYR 69 90.440 -1.968 -9.372 502 HD2 TYR 69 HD2 TYR 69 86.616 -3.234 -10.865 503 HE1 TYR 69 HE1 TYR 69 89.377 0.016 -8.330 504 HE2 TYR 69 HE2 TYR 69 85.553 -1.249 -9.824 505 HH TYR 69 HH TYR 69 87.098 0.665 -7.519 506 H THR 70 H THR 70 89.816 -7.466 -9.229 507 HA THR 70 HA THR 70 87.195 -8.241 -8.575 508 HB THR 70 HB THR 70 86.447 -7.548 -10.724 509 HG1 THR 70 HG1 THR 70 85.565 -9.468 -10.662 510 1HG2 THR 70 1HG2 THR 70 89.173 -8.185 -11.451 511 2HG2 THR 70 2HG2 THR 70 88.048 -8.907 -12.600 512 3HG2 THR 70 3HG2 THR 70 88.008 -7.170 -12.300 513 H ASN 71 H ASN 71 90.000 -8.909 -8.041 514 HA ASN 71 HA ASN 71 90.528 -11.555 -9.174 515 1HB ASN 71 1HB ASN 71 92.274 -9.915 -8.526 516 2HB ASN 71 2HB ASN 71 91.746 -10.031 -6.847 517 1HD2 ASN 71 2HD2 ASN 71 92.635 -11.714 -5.603 518 2HD2 ASN 71 1HD2 ASN 71 93.569 -12.981 -6.238 519 H ASN 72 H ASN 72 90.643 -13.516 -7.836 520 HA ASN 72 HA ASN 72 88.364 -14.207 -6.400 521 1HB ASN 72 1HB ASN 72 90.921 -15.268 -7.017 522 2HB ASN 72 2HB ASN 72 90.683 -15.512 -5.287 523 1HD2 ASN 72 2HD2 ASN 72 88.363 -16.409 -4.735 524 2HD2 ASN 72 1HD2 ASN 72 87.762 -17.606 -5.778 525 H TYR 73 H TYR 73 91.502 -13.412 -4.840 526 HA TYR 73 HA TYR 73 91.933 -12.347 -2.769 527 1HB TYR 73 1HB TYR 73 89.921 -10.984 -3.983 528 2HB TYR 73 2HB TYR 73 89.099 -11.499 -2.510 529 HD1 TYR 73 HD1 TYR 73 91.745 -11.606 -0.844 530 HD2 TYR 73 HD2 TYR 73 89.954 -8.619 -3.358 531 HE1 TYR 73 HE1 TYR 73 92.920 -9.831 0.429 532 HE2 TYR 73 HE2 TYR 73 91.128 -6.845 -2.086 533 HH TYR 73 HH TYR 73 92.149 -6.500 0.073 534 H SER 74 H SER 74 92.145 -13.594 -0.958 535 HA SER 74 HA SER 74 89.714 -14.799 0.268 536 1HB SER 74 1HB SER 74 90.381 -16.653 -0.968 537 2HB SER 74 2HB SER 74 92.077 -16.180 -0.953 538 HG SER 74 HG SER 74 90.783 -17.841 0.686 539 H TYR 75 H TYR 75 89.867 -13.752 2.245 540 HA TYR 75 HA TYR 75 92.302 -14.263 3.870 541 1HB TYR 75 1HB TYR 75 92.672 -11.932 4.275 542 2HB TYR 75 2HB TYR 75 92.447 -12.079 2.532 543 HD1 TYR 75 HD1 TYR 75 90.873 -11.008 5.704 544 HD2 TYR 75 HD2 TYR 75 90.448 -11.216 1.435 545 HE1 TYR 75 HE1 TYR 75 88.949 -9.448 5.819 546 HE2 TYR 75 HE2 TYR 75 88.525 -9.654 1.550 547 HH TYR 75 HH TYR 75 86.857 -8.998 4.285 548 H SER 76 H SER 76 91.837 -13.235 6.176 549 HA SER 76 HA SER 76 88.935 -13.425 6.856 550 1HB SER 76 1HB SER 76 90.525 -15.564 7.089 551 2HB SER 76 2HB SER 76 90.952 -14.771 8.602 552 HG SER 76 HG SER 76 88.335 -15.427 7.704 553 H CYS 77 H CYS 77 88.927 -13.007 9.486 554 HA CYS 77 HA CYS 77 90.803 -10.735 10.031 555 1HB CYS 77 1HB CYS 77 88.725 -9.807 9.240 556 2HB CYS 77 2HB CYS 77 87.791 -10.857 10.296 557 H SER 78 H SER 78 90.802 -10.173 12.363 558 HA SER 78 HA SER 78 89.686 -11.683 14.468 559 1HB SER 78 1HB SER 78 90.642 -13.709 14.125 560 2HB SER 78 2HB SER 78 91.698 -13.059 12.875 561 HG SER 78 HG SER 78 92.079 -12.991 15.689 562 H ASN 79 H ASN 79 90.534 -11.015 16.499 563 HA ASN 79 HA ASN 79 91.549 -9.373 17.886 564 1HB ASN 79 1HB ASN 79 93.644 -10.885 16.355 565 2HB ASN 79 2HB ASN 79 94.151 -9.599 17.449 566 1HD2 ASN 79 2HD2 ASN 79 94.639 -12.479 17.856 567 2HD2 ASN 79 1HD2 ASN 79 93.846 -12.906 19.296 568 H ASN 80 H ASN 80 90.404 -7.948 15.893 569 HA ASN 80 HA ASN 80 90.578 -6.078 14.496 570 1HB ASN 80 1HB ASN 80 92.774 -5.357 16.426 571 2HB ASN 80 2HB ASN 80 91.573 -4.310 15.701 572 1HD2 ASN 80 2HD2 ASN 80 89.455 -6.355 16.196 573 2HD2 ASN 80 1HD2 ASN 80 89.147 -6.219 17.841 574 H GLU 81 H GLU 81 92.103 -8.307 13.658 575 HA GLU 81 HA GLU 81 94.243 -6.930 12.161 576 1HB GLU 81 1HB GLU 81 94.401 -9.442 13.812 577 2HB GLU 81 2HB GLU 81 95.573 -9.105 12.535 578 1HG GLU 81 1HG GLU 81 95.372 -6.708 13.953 579 2HG GLU 81 2HG GLU 81 95.373 -7.959 15.188 580 H ILE 82 H ILE 82 94.696 -7.892 10.111 581 HA ILE 82 HA ILE 82 92.406 -9.415 9.006 582 HB ILE 82 HB ILE 82 94.782 -7.917 7.889 583 1HG1 ILE 82 1HG1 ILE 82 92.080 -7.320 6.933 584 2HG1 ILE 82 2HG1 ILE 82 92.221 -7.157 8.684 585 1HG2 ILE 82 1HG2 ILE 82 94.273 -10.012 6.553 586 2HG2 ILE 82 2HG2 ILE 82 92.660 -9.357 6.274 587 3HG2 ILE 82 3HG2 ILE 82 94.076 -8.504 5.660 588 1HD1 ILE 82 1HD1 ILE 82 94.499 -5.922 7.972 589 2HD1 ILE 82 2HD1 ILE 82 93.551 -5.599 6.520 590 3HD1 ILE 82 3HD1 ILE 82 92.964 -5.062 8.094 591 H THR 83 H THR 83 92.688 -11.397 7.873 592 HA THR 83 HA THR 83 95.263 -12.839 8.414 593 HB THR 83 HB THR 83 92.394 -13.444 8.981 594 HG1 THR 83 HG1 THR 83 93.792 -14.711 10.614 595 1HG2 THR 83 1HG2 THR 83 94.357 -15.438 7.897 596 2HG2 THR 83 2HG2 THR 83 93.215 -15.942 9.143 597 3HG2 THR 83 3HG2 THR 83 92.623 -15.310 7.607 598 H CYS 84 H CYS 84 95.989 -12.498 6.210 599 HA CYS 84 HA CYS 84 94.236 -13.418 4.004 600 1HB CYS 84 1HB CYS 84 96.560 -11.695 4.415 601 2HB CYS 84 2HB CYS 84 96.764 -12.756 3.021 602 H SER 85 H SER 85 94.390 -15.473 3.189 603 HA SER 85 HA SER 85 95.952 -17.541 4.307 604 1HB SER 85 1HB SER 85 93.986 -17.918 2.925 605 2HB SER 85 2HB SER 85 94.763 -17.156 1.541 606 HG SER 85 HG SER 85 95.196 -19.661 2.710 607 H SER 86 H SER 86 98.161 -17.732 4.283 608 HA SER 86 HA SER 86 99.972 -16.192 2.772 609 1HB SER 86 1HB SER 86 101.563 -17.596 3.749 610 2HB SER 86 2HB SER 86 100.178 -17.881 4.800 611 HG SER 86 HG SER 86 100.809 -19.875 4.207 612 H GLU 87 H GLU 87 98.122 -18.993 1.817 613 HA GLU 87 HA GLU 87 99.644 -20.048 -0.308 614 1HB GLU 87 1HB GLU 87 96.722 -19.700 0.311 615 2HB GLU 87 2HB GLU 87 97.199 -20.391 -1.240 616 1HG GLU 87 1HG GLU 87 98.651 -22.021 0.065 617 2HG GLU 87 2HG GLU 87 97.846 -21.438 1.524 618 H ASN 88 H ASN 88 97.876 -17.036 -0.073 619 HA ASN 88 HA ASN 88 97.415 -16.319 -2.722 620 1HB ASN 88 1HB ASN 88 98.512 -14.640 -0.446 621 2HB ASN 88 2HB ASN 88 97.677 -14.008 -1.865 622 1HD2 ASN 88 2HD2 ASN 88 96.637 -13.599 0.779 623 2HD2 ASN 88 1HD2 ASN 88 95.187 -14.469 0.921 624 H ASN 89 H ASN 89 98.772 -16.108 -4.466 625 HA ASN 89 HA ASN 89 101.662 -16.334 -4.148 626 1HB ASN 89 1HB ASN 89 101.532 -16.033 -6.671 627 2HB ASN 89 2HB ASN 89 100.574 -17.365 -6.029 628 1HD2 ASN 89 2HD2 ASN 89 100.404 -14.639 -8.037 629 2HD2 ASN 89 1HD2 ASN 89 98.717 -14.452 -8.062 630 H ALA 90 H ALA 90 102.949 -14.660 -5.659 631 HA ALA 90 HA ALA 90 103.288 -12.249 -4.392 632 1HB ALA 90 1HB ALA 90 104.026 -13.497 -6.829 633 2HB ALA 90 2HB ALA 90 103.537 -11.851 -7.232 634 3HB ALA 90 3HB ALA 90 104.813 -12.126 -6.046 635 H CYS 91 H CYS 91 100.661 -13.060 -6.578 636 HA CYS 91 HA CYS 91 99.826 -10.254 -6.911 637 1HB CYS 91 1HB CYS 91 99.632 -12.470 -8.432 638 2HB CYS 91 2HB CYS 91 98.074 -12.560 -7.611 639 H GLU 92 H GLU 92 98.129 -13.162 -5.652 640 HA GLU 92 HA GLU 92 96.031 -11.778 -4.347 641 1HB GLU 92 1HB GLU 92 97.417 -14.431 -4.007 642 2HB GLU 92 2HB GLU 92 96.118 -13.966 -2.907 643 1HG GLU 92 1HG GLU 92 95.515 -13.505 -5.756 644 2HG GLU 92 2HG GLU 92 95.728 -15.202 -5.324 645 H ALA 93 H ALA 93 99.351 -12.344 -3.361 646 HA ALA 93 HA ALA 93 98.895 -11.581 -0.562 647 1HB ALA 93 1HB ALA 93 101.075 -12.528 -2.320 648 2HB ALA 93 2HB ALA 93 101.596 -11.452 -1.024 649 3HB ALA 93 3HB ALA 93 100.729 -12.939 -0.640 650 H PHE 94 H PHE 94 100.547 -10.100 -3.383 651 HA PHE 94 HA PHE 94 101.213 -7.627 -2.128 652 1HB PHE 94 1HB PHE 94 102.061 -8.554 -4.303 653 2HB PHE 94 2HB PHE 94 100.493 -8.185 -5.024 654 HD1 PHE 94 HD1 PHE 94 99.756 -5.853 -5.324 655 HD2 PHE 94 HD2 PHE 94 103.630 -6.793 -3.724 656 HE1 PHE 94 HE1 PHE 94 100.482 -3.513 -5.709 657 HE2 PHE 94 HE2 PHE 94 104.357 -4.453 -4.109 658 HZ PHE 94 HZ PHE 94 102.783 -2.813 -5.101 659 H ILE 95 H ILE 95 98.319 -8.643 -3.946 660 HA ILE 95 HA ILE 95 96.975 -6.108 -3.909 661 HB ILE 95 HB ILE 95 96.177 -9.008 -4.176 662 1HG1 ILE 95 1HG1 ILE 95 97.393 -7.678 -5.994 663 2HG1 ILE 95 2HG1 ILE 95 95.881 -8.441 -6.481 664 1HG2 ILE 95 1HG2 ILE 95 94.306 -7.788 -3.073 665 2HG2 ILE 95 2HG2 ILE 95 94.321 -6.617 -4.392 666 3HG2 ILE 95 3HG2 ILE 95 93.896 -8.298 -4.712 667 1HD1 ILE 95 1HD1 ILE 95 95.411 -5.794 -5.373 668 2HD1 ILE 95 2HD1 ILE 95 96.531 -5.728 -6.734 669 3HD1 ILE 95 3HD1 ILE 95 94.934 -6.448 -6.940 670 H CYS 96 H CYS 96 96.912 -8.897 -1.682 671 HA CYS 96 HA CYS 96 94.902 -7.869 0.096 672 1HB CYS 96 1HB CYS 96 95.485 -10.193 0.126 673 2HB CYS 96 2HB CYS 96 97.197 -9.831 0.337 674 H ASN 97 H ASN 97 98.289 -7.159 -0.332 675 HA ASN 97 HA ASN 97 98.747 -6.015 2.307 676 1HB ASN 97 1HB ASN 97 100.124 -6.063 -0.374 677 2HB ASN 97 2HB ASN 97 100.741 -5.034 0.916 678 1HD2 ASN 97 2HD2 ASN 97 102.500 -6.934 0.241 679 2HD2 ASN 97 1HD2 ASN 97 102.502 -8.224 1.339 680 H CYS 98 H CYS 98 97.625 -4.814 -0.820 681 HA CYS 98 HA CYS 98 97.898 -1.999 -0.249 682 1HB CYS 98 1HB CYS 98 95.954 -3.450 -2.074 683 2HB CYS 98 2HB CYS 98 96.501 -1.781 -2.235 684 H ASP 99 H ASP 99 95.106 -4.236 -0.059 685 HA ASP 99 HA ASP 99 93.259 -2.295 0.997 686 1HB ASP 99 1HB ASP 99 93.464 -5.309 0.919 687 2HB ASP 99 2HB ASP 99 92.095 -4.507 1.693 688 H ARG 100 H ARG 100 95.510 -4.595 2.490 689 HA ARG 100 HA ARG 100 94.615 -4.195 5.212 690 1HB ARG 100 1HB ARG 100 95.957 -6.110 4.192 691 2HB ARG 100 2HB ARG 100 97.350 -5.030 4.210 692 1HG ARG 100 1HG ARG 100 96.541 -4.694 6.750 693 2HG ARG 100 2HG ARG 100 95.932 -6.328 6.484 694 1HD ARG 100 1HD ARG 100 98.703 -5.811 5.531 695 2HD ARG 100 2HD ARG 100 98.464 -5.863 7.284 696 HE ARG 100 HE ARG 100 97.067 -7.998 5.961 697 1HH1 ARG 100 1HH1 ARG 100 100.229 -7.574 5.438 698 2HH1 ARG 100 2HH1 ARG 100 100.808 -8.871 6.428 699 1HH2 ARG 100 1HH2 ARG 100 97.750 -9.411 7.972 700 2HH2 ARG 100 2HH2 ARG 100 99.405 -9.912 7.862 701 H ASN 101 H ASN 101 97.346 -2.880 3.314 702 HA ASN 101 HA ASN 101 98.437 -1.213 5.354 703 1HB ASN 101 1HB ASN 101 98.424 -1.240 2.336 704 2HB ASN 101 2HB ASN 101 99.258 0.039 3.216 705 1HD2 ASN 101 2HD2 ASN 101 100.960 -1.442 1.783 706 2HD2 ASN 101 1HD2 ASN 101 101.788 -2.569 2.737 707 H ALA 102 H ALA 102 95.799 -0.680 3.038 708 HA ALA 102 HA ALA 102 95.500 2.154 3.619 709 1HB ALA 102 1HB ALA 102 94.773 0.695 1.578 710 2HB ALA 102 2HB ALA 102 93.362 0.306 2.561 711 3HB ALA 102 3HB ALA 102 93.690 1.980 2.111 712 H ALA 103 H ALA 103 93.750 -0.804 4.623 713 HA ALA 103 HA ALA 103 91.849 0.490 6.327 714 1HB ALA 103 1HB ALA 103 92.639 -2.124 5.515 715 2HB ALA 103 2HB ALA 103 92.598 -2.122 7.278 716 3HB ALA 103 3HB ALA 103 91.163 -1.663 6.363 717 H ILE 104 H ILE 104 95.133 -0.749 6.916 718 HA ILE 104 HA ILE 104 95.130 -0.360 9.772 719 HB ILE 104 HB ILE 104 97.280 -0.504 7.638 720 1HG1 ILE 104 1HG1 ILE 104 96.468 -2.516 9.755 721 2HG1 ILE 104 2HG1 ILE 104 95.806 -2.514 8.120 722 1HG2 ILE 104 1HG2 ILE 104 97.591 0.530 10.214 723 2HG2 ILE 104 2HG2 ILE 104 98.113 -1.148 10.358 724 3HG2 ILE 104 3HG2 ILE 104 98.879 -0.084 9.177 725 1HD1 ILE 104 1HD1 ILE 104 98.777 -2.608 8.692 726 2HD1 ILE 104 2HD1 ILE 104 97.795 -4.057 8.472 727 3HD1 ILE 104 3HD1 ILE 104 97.968 -2.900 7.152 728 H CYS 105 H CYS 105 95.983 1.713 7.015 729 HA CYS 105 HA CYS 105 97.148 3.871 8.509 730 1HB CYS 105 1HB CYS 105 97.074 3.281 5.959 731 2HB CYS 105 2HB CYS 105 95.549 4.167 5.968 732 H PHE 106 H PHE 106 93.812 3.203 7.429 733 HA PHE 106 HA PHE 106 92.552 5.567 8.259 734 1HB PHE 106 1HB PHE 106 91.597 2.691 8.319 735 2HB PHE 106 2HB PHE 106 90.544 4.101 8.355 736 HD1 PHE 106 HD1 PHE 106 92.551 5.668 6.414 737 HD2 PHE 106 HD2 PHE 106 90.495 1.900 6.241 738 HE1 PHE 106 HE1 PHE 106 92.592 5.757 3.938 739 HE2 PHE 106 HE2 PHE 106 90.537 1.990 3.765 740 HZ PHE 106 HZ PHE 106 91.586 3.919 2.612 741 H SER 107 H SER 107 93.381 2.651 10.077 742 HA SER 107 HA SER 107 92.166 3.632 12.564 743 1HB SER 107 1HB SER 107 92.556 1.459 13.267 744 2HB SER 107 2HB SER 107 92.589 1.206 11.525 745 HG SER 107 HG SER 107 94.862 1.437 11.623 746 H LYS 108 H LYS 108 95.183 4.043 10.970 747 HA LYS 108 HA LYS 108 96.644 4.559 13.514 748 1HB LYS 108 1HB LYS 108 97.347 4.222 10.600 749 2HB LYS 108 2HB LYS 108 98.517 4.901 11.733 750 1HG LYS 108 1HG LYS 108 97.150 2.442 12.652 751 2HG LYS 108 2HG LYS 108 98.242 2.232 11.283 752 1HD LYS 108 1HD LYS 108 100.109 2.951 12.493 753 2HD LYS 108 2HD LYS 108 99.130 3.826 13.670 754 1HE LYS 108 1HE LYS 108 98.754 0.858 13.483 755 2HE LYS 108 2HE LYS 108 100.207 1.472 14.301 756 1HZ LYS 108 1HZ LYS 108 98.303 3.135 15.212 757 2HZ LYS 108 2HZ LYS 108 97.427 1.689 15.081 758 3HZ LYS 108 3HZ LYS 108 98.829 1.748 16.038 759 H VAL 109 H VAL 109 94.961 6.210 11.002 760 HA VAL 109 HA VAL 109 96.208 8.814 11.811 761 HB VAL 109 HB VAL 109 95.550 9.560 9.582 762 1HG1 VAL 109 1HG1 VAL 109 97.590 7.973 9.997 763 2HG1 VAL 109 2HG1 VAL 109 96.618 6.783 9.130 764 3HG1 VAL 109 3HG1 VAL 109 97.079 8.290 8.338 765 1HG2 VAL 109 1HG2 VAL 109 93.658 7.432 9.855 766 2HG2 VAL 109 2HG2 VAL 109 93.761 8.640 8.573 767 3HG2 VAL 109 3HG2 VAL 109 94.633 7.115 8.419 768 HA PRO 110 HA PRO 110 92.313 9.973 13.484 769 1HB PRO 110 1HB PRO 110 92.416 12.686 13.142 770 2HB PRO 110 2HB PRO 110 93.378 11.828 14.363 771 1HG PRO 110 1HG PRO 110 94.195 12.880 11.706 772 2HG PRO 110 2HG PRO 110 95.095 12.838 13.231 773 1HD PRO 110 1HD PRO 110 95.497 11.081 11.168 774 2HD PRO 110 2HD PRO 110 95.855 10.715 12.870 775 H TYR 111 H TYR 111 90.218 10.993 12.842 776 HA TYR 111 HA TYR 111 89.923 11.163 9.859 777 1HB TYR 111 1HB TYR 111 88.904 9.149 10.617 778 2HB TYR 111 2HB TYR 111 88.238 9.934 12.048 779 HD1 TYR 111 HD1 TYR 111 88.182 10.451 8.324 780 HD2 TYR 111 HD2 TYR 111 85.956 10.365 11.998 781 HE1 TYR 111 HE1 TYR 111 86.102 10.968 7.076 782 HE2 TYR 111 HE2 TYR 111 83.876 10.880 10.750 783 HH TYR 111 HH TYR 111 83.098 11.696 8.736 784 H ASN 112 H ASN 112 88.810 12.957 9.095 785 HA ASN 112 HA ASN 112 87.715 14.844 11.156 786 1HB ASN 112 1HB ASN 112 89.391 15.128 8.694 787 2HB ASN 112 2HB ASN 112 88.284 16.444 9.087 788 1HD2 ASN 112 2HD2 ASN 112 91.429 15.656 9.498 789 2HD2 ASN 112 1HD2 ASN 112 91.729 16.356 11.015 790 H LYS 113 H LYS 113 85.606 13.699 10.869 791 HA LYS 113 HA LYS 113 84.155 13.260 8.550 792 1HB LYS 113 1HB LYS 113 82.187 13.636 9.977 793 2HB LYS 113 2HB LYS 113 83.451 12.820 10.897 794 1HG LYS 113 1HG LYS 113 82.922 14.494 12.398 795 2HG LYS 113 2HG LYS 113 84.157 15.332 11.456 796 1HD LYS 113 1HD LYS 113 82.618 16.656 10.351 797 2HD LYS 113 2HD LYS 113 81.330 15.458 10.491 798 1HE LYS 113 1HE LYS 113 81.339 15.926 13.008 799 2HE LYS 113 2HE LYS 113 82.354 17.334 12.639 800 1HZ LYS 113 1HZ LYS 113 80.573 17.716 10.803 801 2HZ LYS 113 2HZ LYS 113 79.585 16.781 11.820 802 3HZ LYS 113 3HZ LYS 113 80.265 18.225 12.394 803 H GLU 114 H GLU 114 85.091 16.352 9.894 804 HA GLU 114 HA GLU 114 83.187 18.025 8.606 805 1HB GLU 114 1HB GLU 114 85.777 18.207 9.994 806 2HB GLU 114 2HB GLU 114 85.514 19.493 8.815 807 1HG GLU 114 1HG GLU 114 83.066 19.341 10.078 808 2HG GLU 114 2HG GLU 114 84.195 19.030 11.397 809 H HIS 115 H HIS 115 86.179 16.532 7.530 810 HA HIS 115 HA HIS 115 86.305 18.070 5.033 811 1HB HIS 115 1HB HIS 115 87.800 15.803 6.342 812 2HB HIS 115 2HB HIS 115 88.139 16.253 4.673 813 HD1 HIS 115 HD1 HIS 115 90.521 17.113 5.429 814 HD2 HIS 115 HD2 HIS 115 87.314 19.184 7.105 815 HE1 HIS 115 HE1 HIS 115 91.480 19.235 6.426 816 H LYS 116 H LYS 116 84.246 15.691 6.029 817 HA LYS 116 HA LYS 116 84.310 13.748 3.936 818 1HB LYS 116 1HB LYS 116 83.096 13.976 6.270 819 2HB LYS 116 2HB LYS 116 81.807 14.690 5.301 820 1HG LYS 116 1HG LYS 116 82.232 12.570 3.776 821 2HG LYS 116 2HG LYS 116 82.881 11.899 5.273 822 1HD LYS 116 1HD LYS 116 80.525 13.133 6.085 823 2HD LYS 116 2HD LYS 116 80.103 12.416 4.529 824 1HE LYS 116 1HE LYS 116 80.036 10.360 5.471 825 2HE LYS 116 2HE LYS 116 81.704 10.547 6.051 826 1HZ LYS 116 1HZ LYS 116 80.656 12.117 7.765 827 2HZ LYS 116 2HZ LYS 116 79.188 11.356 7.373 828 3HZ LYS 116 3HZ LYS 116 80.473 10.446 8.006 829 H ASN 117 H ASN 117 83.225 13.717 1.932 830 HA ASN 117 HA ASN 117 82.360 14.694 -0.048 831 1HB ASN 117 1HB ASN 117 80.659 15.909 2.155 832 2HB ASN 117 2HB ASN 117 80.226 15.920 0.445 833 1HD2 ASN 117 2HD2 ASN 117 80.743 13.773 3.243 834 2HD2 ASN 117 1HD2 ASN 117 79.928 12.440 2.582 835 H LEU 118 H LEU 118 84.673 15.978 0.462 836 HA LEU 118 HA LEU 118 84.410 18.790 0.957 837 1HB LEU 118 1HB LEU 118 86.429 17.838 1.595 838 2HB LEU 118 2HB LEU 118 86.426 16.731 0.241 839 HG LEU 118 HG LEU 118 86.823 18.751 -1.235 840 1HD1 LEU 118 1HD1 LEU 118 86.482 20.095 1.203 841 2HD1 LEU 118 2HD1 LEU 118 88.219 20.158 0.902 842 3HD1 LEU 118 3HD1 LEU 118 87.094 20.802 -0.294 843 1HD2 LEU 118 1HD2 LEU 118 88.591 17.147 0.361 844 2HD2 LEU 118 2HD2 LEU 118 88.847 17.779 -1.266 845 3HD2 LEU 118 3HD2 LEU 118 89.296 18.748 0.138 846 H ASP 119 H ASP 119 85.362 20.286 -0.795 847 HA ASP 119 HA ASP 119 83.876 19.870 -3.317 848 1HB ASP 119 1HB ASP 119 84.010 21.988 -1.810 849 2HB ASP 119 2HB ASP 119 85.589 22.234 -2.557 850 H LYS 120 H LYS 120 84.905 18.964 -5.047 851 HA LYS 120 HA LYS 120 87.507 18.089 -5.256 852 1HB LYS 120 1HB LYS 120 85.602 19.246 -7.303 853 2HB LYS 120 2HB LYS 120 87.116 18.471 -7.767 854 1HG LYS 120 1HG LYS 120 86.112 16.611 -6.048 855 2HG LYS 120 2HG LYS 120 84.621 17.263 -6.730 856 1HD LYS 120 1HD LYS 120 85.878 17.002 -9.020 857 2HD LYS 120 2HD LYS 120 86.883 15.862 -8.126 858 1HE LYS 120 1HE LYS 120 85.272 14.281 -8.283 859 2HE LYS 120 2HE LYS 120 84.092 15.373 -7.530 860 1HZ LYS 120 1HZ LYS 120 84.953 15.652 -10.353 861 2HZ LYS 120 2HZ LYS 120 83.610 14.713 -9.904 862 3HZ LYS 120 3HZ LYS 120 83.626 16.383 -9.592 863 H LYS 121 H LYS 121 86.377 21.398 -5.504 864 HA LYS 121 HA LYS 121 88.597 22.578 -6.847 865 1HB LYS 121 1HB LYS 121 86.382 23.371 -5.045 866 2HB LYS 121 2HB LYS 121 87.746 24.486 -5.103 867 1HG LYS 121 1HG LYS 121 87.124 25.229 -7.132 868 2HG LYS 121 2HG LYS 121 87.096 23.583 -7.766 869 1HD LYS 121 1HD LYS 121 84.830 23.303 -6.669 870 2HD LYS 121 2HD LYS 121 84.859 25.034 -6.330 871 1HE LYS 121 1HE LYS 121 85.515 24.368 -9.128 872 2HE LYS 121 2HE LYS 121 83.860 23.943 -8.647 873 1HZ LYS 121 1HZ LYS 121 85.107 26.544 -7.960 874 2HZ LYS 121 2HZ LYS 121 84.207 26.319 -9.383 875 3HZ LYS 121 3HZ LYS 121 83.468 26.117 -7.866 876 H ASN 122 H ASN 122 88.331 21.175 -3.761 877 HA ASN 122 HA ASN 122 90.758 22.548 -2.698 878 1HB ASN 122 1HB ASN 122 88.472 20.907 -1.684 879 2HB ASN 122 2HB ASN 122 89.991 20.818 -0.800 880 1HD2 ASN 122 2HD2 ASN 122 87.308 22.931 -1.669 881 2HD2 ASN 122 1HD2 ASN 122 87.739 24.214 -0.641 882 H CYS 123 H CYS 123 89.774 19.909 -4.480 883 HA CYS 123 HA CYS 123 91.908 18.069 -3.571 884 1HB CYS 123 1HB CYS 123 89.374 18.028 -5.138 885 2HB CYS 123 2HB CYS 123 90.569 16.806 -5.529 Start of MODEL 16 1 1H ALA 1 1H ALA 1 84.056 -7.322 -7.116 2 2H ALA 1 2H ALA 1 85.255 -8.517 -7.259 3 3H ALA 1 3H ALA 1 83.613 -8.951 -7.289 4 HA ALA 1 HA ALA 1 83.323 -8.577 -5.017 5 1HB ALA 1 1HB ALA 1 84.674 -10.562 -5.679 6 2HB ALA 1 2HB ALA 1 86.143 -9.605 -5.485 7 3HB ALA 1 3HB ALA 1 85.131 -9.961 -4.085 8 H LEU 2 H LEU 2 83.491 -6.062 -5.179 9 HA LEU 2 HA LEU 2 86.063 -4.977 -4.164 10 1HB LEU 2 1HB LEU 2 83.887 -4.115 -5.797 11 2HB LEU 2 2HB LEU 2 83.937 -3.057 -4.386 12 HG LEU 2 HG LEU 2 86.309 -3.706 -6.160 13 1HD1 LEU 2 1HD1 LEU 2 84.193 -1.683 -6.301 14 2HD1 LEU 2 2HD1 LEU 2 85.810 -0.983 -6.275 15 3HD1 LEU 2 3HD1 LEU 2 85.377 -2.155 -7.519 16 1HD2 LEU 2 1HD2 LEU 2 86.168 -2.770 -3.497 17 2HD2 LEU 2 2HD2 LEU 2 87.584 -2.779 -4.549 18 3HD2 LEU 2 3HD2 LEU 2 86.541 -1.358 -4.486 19 H TRP 3 H TRP 3 83.076 -6.119 -2.952 20 HA TRP 3 HA TRP 3 82.708 -4.371 -0.692 21 1HB TRP 3 1HB TRP 3 81.227 -6.199 0.049 22 2HB TRP 3 2HB TRP 3 81.016 -5.905 -1.678 23 HD1 TRP 3 HD1 TRP 3 81.785 -7.759 -3.355 24 HE1 TRP 3 HE1 TRP 3 82.546 -10.205 -3.055 25 HE3 TRP 3 HE3 TRP 3 82.545 -7.838 1.695 26 HZ2 TRP 3 HZ2 TRP 3 83.365 -11.960 -0.956 27 HZ3 TRP 3 HZ3 TRP 3 83.315 -9.911 2.816 28 HH2 TRP 3 HH2 TRP 3 83.725 -11.968 1.496 29 H GLN 4 H GLN 4 85.026 -6.831 -1.362 30 HA GLN 4 HA GLN 4 85.526 -7.844 1.271 31 1HB GLN 4 1HB GLN 4 87.345 -7.431 -1.126 32 2HB GLN 4 2HB GLN 4 87.689 -8.500 0.235 33 1HG GLN 4 1HG GLN 4 85.082 -9.158 -0.639 34 2HG GLN 4 2HG GLN 4 86.066 -9.012 -2.096 35 1HE2 GLN 4 2HE2 GLN 4 88.455 -10.058 -1.605 36 2HE2 GLN 4 1HE2 GLN 4 88.380 -11.617 -0.938 37 H PHE 5 H PHE 5 86.874 -5.054 -0.501 38 HA PHE 5 HA PHE 5 88.910 -4.234 1.232 39 1HB PHE 5 1HB PHE 5 88.270 -3.220 -0.948 40 2HB PHE 5 2HB PHE 5 86.835 -2.530 -0.188 41 HD1 PHE 5 HD1 PHE 5 90.192 -2.867 1.370 42 HD2 PHE 5 HD2 PHE 5 87.321 -0.197 -0.383 43 HE1 PHE 5 HE1 PHE 5 91.529 -0.924 2.141 44 HE2 PHE 5 HE2 PHE 5 88.657 1.746 0.386 45 HZ PHE 5 HZ PHE 5 90.761 1.382 1.647 46 H ASN 6 H ASN 6 85.478 -3.194 1.407 47 HA ASN 6 HA ASN 6 85.635 -1.704 3.801 48 1HB ASN 6 1HB ASN 6 83.547 -3.248 2.306 49 2HB ASN 6 2HB ASN 6 83.139 -2.627 3.907 50 1HD2 ASN 6 2HD2 ASN 6 81.593 -1.206 2.575 51 2HD2 ASN 6 1HD2 ASN 6 82.210 0.239 1.931 52 H GLY 7 H GLY 7 85.204 -5.206 3.330 53 1HA GLY 7 1HA GLY 7 84.596 -5.919 6.004 54 2HA GLY 7 2HA GLY 7 85.409 -6.979 4.853 55 H MET 8 H MET 8 87.726 -5.324 4.436 56 HA MET 8 HA MET 8 89.402 -6.217 6.575 57 1HB MET 8 1HB MET 8 89.723 -4.093 4.431 58 2HB MET 8 2HB MET 8 91.050 -4.695 5.423 59 1HG MET 8 1HG MET 8 90.160 -7.054 4.600 60 2HG MET 8 2HG MET 8 89.506 -6.095 3.272 61 1HE MET 8 1HE MET 8 92.002 -8.132 4.501 62 2HE MET 8 2HE MET 8 91.850 -8.413 2.761 63 3HE MET 8 3HE MET 8 93.402 -7.937 3.448 64 H ILE 9 H ILE 9 88.216 -2.919 5.799 65 HA ILE 9 HA ILE 9 89.383 -1.598 8.033 66 HB ILE 9 HB ILE 9 86.801 -1.068 6.525 67 1HG1 ILE 9 1HG1 ILE 9 89.511 0.176 6.042 68 2HG1 ILE 9 2HG1 ILE 9 89.031 -1.319 5.239 69 1HG2 ILE 9 1HG2 ILE 9 88.540 0.657 8.303 70 2HG2 ILE 9 2HG2 ILE 9 87.368 1.331 7.170 71 3HG2 ILE 9 3HG2 ILE 9 86.823 0.300 8.494 72 1HD1 ILE 9 1HD1 ILE 9 87.351 1.196 5.166 73 2HD1 ILE 9 2HD1 ILE 9 88.549 0.806 3.934 74 3HD1 ILE 9 3HD1 ILE 9 87.160 -0.253 4.181 75 H LYS 10 H LYS 10 86.188 -3.158 7.666 76 HA LYS 10 HA LYS 10 85.042 -2.493 10.152 77 1HB LYS 10 1HB LYS 10 84.926 -4.941 8.377 78 2HB LYS 10 2HB LYS 10 83.884 -4.757 9.789 79 1HG LYS 10 1HG LYS 10 83.087 -2.576 8.862 80 2HG LYS 10 2HG LYS 10 84.040 -2.886 7.410 81 1HD LYS 10 1HD LYS 10 82.762 -4.911 6.952 82 2HD LYS 10 2HD LYS 10 81.864 -4.718 8.457 83 1HE LYS 10 1HE LYS 10 81.872 -2.474 6.447 84 2HE LYS 10 2HE LYS 10 80.775 -3.853 6.231 85 1HZ LYS 10 1HZ LYS 10 80.964 -2.832 8.936 86 2HZ LYS 10 2HZ LYS 10 80.241 -1.769 7.829 87 3HZ LYS 10 3HZ LYS 10 79.598 -3.326 8.055 88 H CYS 11 H CYS 11 87.340 -5.102 9.360 89 HA CYS 11 HA CYS 11 87.333 -6.448 11.850 90 1HB CYS 11 1HB CYS 11 88.348 -7.272 9.772 91 2HB CYS 11 2HB CYS 11 89.528 -5.967 9.815 92 H LYS 12 H LYS 12 89.440 -3.857 10.638 93 HA LYS 12 HA LYS 12 90.888 -3.532 13.132 94 1HB LYS 12 1HB LYS 12 90.574 -2.006 10.549 95 2HB LYS 12 2HB LYS 12 91.529 -1.343 11.876 96 1HG LYS 12 1HG LYS 12 92.315 -4.046 11.625 97 2HG LYS 12 2HG LYS 12 92.257 -3.397 9.986 98 1HD LYS 12 1HD LYS 12 94.465 -2.961 10.866 99 2HD LYS 12 2HD LYS 12 93.596 -1.426 10.803 100 1HE LYS 12 1HE LYS 12 93.788 -1.162 13.044 101 2HE LYS 12 2HE LYS 12 93.121 -2.781 13.336 102 1HZ LYS 12 1HZ LYS 12 95.910 -2.205 12.481 103 2HZ LYS 12 2HZ LYS 12 95.441 -2.623 14.060 104 3HZ LYS 12 3HZ LYS 12 95.260 -3.741 12.793 105 H ILE 13 H ILE 13 88.002 -2.019 11.733 106 HA ILE 13 HA ILE 13 87.653 -0.536 14.315 107 HB ILE 13 HB ILE 13 86.992 0.521 11.553 108 1HG1 ILE 13 1HG1 ILE 13 89.459 1.036 13.248 109 2HG1 ILE 13 2HG1 ILE 13 89.427 0.103 11.752 110 1HG2 ILE 13 1HG2 ILE 13 85.838 1.491 13.571 111 2HG2 ILE 13 2HG2 ILE 13 87.423 1.953 14.190 112 3HG2 ILE 13 3HG2 ILE 13 86.825 2.654 12.687 113 1HD1 ILE 13 1HD1 ILE 13 88.366 2.231 10.704 114 2HD1 ILE 13 2HD1 ILE 13 88.986 3.059 12.133 115 3HD1 ILE 13 3HD1 ILE 13 90.099 2.243 11.033 116 HA PRO 14 HA PRO 14 83.839 -2.887 13.195 117 1HB PRO 14 1HB PRO 14 83.529 -4.108 15.619 118 2HB PRO 14 2HB PRO 14 84.538 -4.786 14.326 119 1HG PRO 14 1HG PRO 14 85.335 -3.332 16.784 120 2HG PRO 14 2HG PRO 14 86.153 -4.651 15.935 121 1HD PRO 14 1HD PRO 14 86.864 -1.983 15.779 122 2HD PRO 14 2HD PRO 14 87.297 -3.222 14.584 123 H SER 15 H SER 15 84.830 -0.755 15.751 124 HA SER 15 HA SER 15 82.101 -0.265 16.747 125 1HB SER 15 1HB SER 15 83.383 1.393 18.159 126 2HB SER 15 2HB SER 15 83.981 -0.260 18.276 127 HG SER 15 HG SER 15 85.234 1.963 17.406 128 H SER 16 H SER 16 83.571 0.596 13.950 129 HA SER 16 HA SER 16 82.110 3.207 13.852 130 1HB SER 16 1HB SER 16 84.827 2.734 12.615 131 2HB SER 16 2HB SER 16 84.022 4.272 12.910 132 HG SER 16 HG SER 16 84.715 4.230 14.898 133 H GLU 17 H GLU 17 80.737 3.204 12.120 134 HA GLU 17 HA GLU 17 80.723 1.060 10.169 135 1HB GLU 17 1HB GLU 17 79.283 3.717 10.430 136 2HB GLU 17 2HB GLU 17 78.881 2.506 9.212 137 1HG GLU 17 1HG GLU 17 77.478 1.665 10.786 138 2HG GLU 17 2HG GLU 17 78.940 1.001 11.516 139 HA PRO 18 HA PRO 18 83.725 3.132 7.569 140 1HB PRO 18 1HB PRO 18 83.901 1.128 5.716 141 2HB PRO 18 2HB PRO 18 84.728 1.069 7.285 142 1HG PRO 18 1HG PRO 18 82.220 -0.269 6.417 143 2HG PRO 18 2HG PRO 18 83.509 -0.862 7.475 144 1HD PRO 18 1HD PRO 18 81.106 0.096 8.376 145 2HD PRO 18 2HD PRO 18 82.604 0.111 9.333 146 H LEU 19 H LEU 19 80.809 1.499 6.316 147 HA LEU 19 HA LEU 19 80.756 2.919 3.796 148 1HB LEU 19 1HB LEU 19 79.340 0.870 5.199 149 2HB LEU 19 2HB LEU 19 78.159 2.062 4.653 150 HG LEU 19 HG LEU 19 80.289 1.183 2.739 151 1HD1 LEU 19 1HD1 LEU 19 78.854 -0.747 4.031 152 2HD1 LEU 19 2HD1 LEU 19 77.773 -0.372 2.688 153 3HD1 LEU 19 3HD1 LEU 19 79.427 -0.895 2.370 154 1HD2 LEU 19 1HD2 LEU 19 77.371 1.991 2.527 155 2HD2 LEU 19 2HD2 LEU 19 78.770 2.968 2.078 156 3HD2 LEU 19 3HD2 LEU 19 78.372 1.520 1.154 157 H LEU 20 H LEU 20 80.240 4.015 6.935 158 HA LEU 20 HA LEU 20 78.616 6.316 5.911 159 1HB LEU 20 1HB LEU 20 78.328 4.937 8.599 160 2HB LEU 20 2HB LEU 20 77.288 6.203 7.944 161 HG LEU 20 HG LEU 20 77.685 3.537 6.569 162 1HD1 LEU 20 1HD1 LEU 20 75.864 4.358 8.796 163 2HD1 LEU 20 2HD1 LEU 20 75.207 3.314 7.534 164 3HD1 LEU 20 3HD1 LEU 20 76.605 2.790 8.473 165 1HD2 LEU 20 1HD2 LEU 20 76.832 5.625 5.333 166 2HD2 LEU 20 2HD2 LEU 20 75.813 4.188 5.248 167 3HD2 LEU 20 3HD2 LEU 20 75.394 5.501 6.348 168 H ASP 21 H ASP 21 81.572 5.852 6.539 169 HA ASP 21 HA ASP 21 82.175 8.390 7.684 170 1HB ASP 21 1HB ASP 21 81.210 6.516 9.532 171 2HB ASP 21 2HB ASP 21 82.956 6.515 9.777 172 H PHE 22 H PHE 22 83.240 6.921 5.546 173 HA PHE 22 HA PHE 22 86.066 7.009 6.101 174 1HB PHE 22 1HB PHE 22 84.561 4.515 6.554 175 2HB PHE 22 2HB PHE 22 85.985 4.315 5.532 176 HD1 PHE 22 HD1 PHE 22 87.872 6.272 6.556 177 HD2 PHE 22 HD2 PHE 22 85.125 3.765 8.704 178 HE1 PHE 22 HE1 PHE 22 89.327 6.394 8.560 179 HE2 PHE 22 HE2 PHE 22 86.580 3.887 10.708 180 HZ PHE 22 HZ PHE 22 88.681 5.201 10.636 181 H ASN 23 H ASN 23 83.549 5.487 4.071 182 HA ASN 23 HA ASN 23 85.262 5.494 1.691 183 1HB ASN 23 1HB ASN 23 82.929 4.220 2.613 184 2HB ASN 23 2HB ASN 23 82.405 5.200 1.243 185 1HD2 ASN 23 2HD2 ASN 23 82.304 2.486 0.826 186 2HD2 ASN 23 1HD2 ASN 23 83.575 1.977 -0.178 187 H ASN 24 H ASN 24 84.356 6.623 -0.344 188 HA ASN 24 HA ASN 24 84.030 8.742 -1.371 189 1HB ASN 24 1HB ASN 24 81.762 7.743 -0.891 190 2HB ASN 24 2HB ASN 24 81.719 8.693 0.596 191 1HD2 ASN 24 2HD2 ASN 24 81.834 8.983 -2.964 192 2HD2 ASN 24 1HD2 ASN 24 81.250 10.576 -3.015 193 H TYR 25 H TYR 25 86.038 9.334 0.133 194 HA TYR 25 HA TYR 25 85.309 11.854 1.541 195 1HB TYR 25 1HB TYR 25 85.280 10.320 3.342 196 2HB TYR 25 2HB TYR 25 86.620 9.385 2.682 197 HD1 TYR 25 HD1 TYR 25 88.941 10.368 2.689 198 HD2 TYR 25 HD2 TYR 25 85.654 12.194 4.764 199 HE1 TYR 25 HE1 TYR 25 90.537 11.693 4.050 200 HE2 TYR 25 HE2 TYR 25 87.248 13.516 6.124 201 HH TYR 25 HH TYR 25 90.771 13.225 5.631 202 H GLY 26 H GLY 26 87.297 13.218 1.882 203 1HA GLY 26 1HA GLY 26 89.188 14.222 0.878 204 2HA GLY 26 2HA GLY 26 89.901 12.627 1.113 205 H CYS 27 H CYS 27 91.047 13.225 -0.933 206 HA CYS 27 HA CYS 27 89.402 13.139 -3.398 207 1HB CYS 27 1HB CYS 27 91.824 14.307 -2.539 208 2HB CYS 27 2HB CYS 27 92.271 13.121 -3.765 209 H TYR 28 H TYR 28 91.547 11.067 -1.525 210 HA TYR 28 HA TYR 28 91.693 9.088 -3.735 211 1HB TYR 28 1HB TYR 28 92.928 9.273 -0.973 212 2HB TYR 28 2HB TYR 28 93.289 8.003 -2.143 213 HD1 TYR 28 HD1 TYR 28 94.207 8.682 -4.431 214 HD2 TYR 28 HD2 TYR 28 94.004 11.379 -1.094 215 HE1 TYR 28 HE1 TYR 28 95.869 10.160 -5.526 216 HE2 TYR 28 HE2 TYR 28 95.668 12.858 -2.190 217 HH TYR 28 HH TYR 28 96.961 12.091 -5.422 218 H CYS 29 H CYS 29 90.770 9.084 -0.255 219 HA CYS 29 HA CYS 29 89.728 6.517 -0.018 220 1HB CYS 29 1HB CYS 29 88.527 9.097 1.036 221 2HB CYS 29 2HB CYS 29 88.304 7.494 1.733 222 H GLY 30 H GLY 30 88.520 5.599 -1.673 223 1HA GLY 30 1HA GLY 30 85.987 5.463 -2.152 224 2HA GLY 30 2HA GLY 30 86.164 7.140 -2.674 225 H LEU 31 H LEU 31 85.240 5.168 -4.450 226 HA LEU 31 HA LEU 31 87.481 4.246 -6.112 227 1HB LEU 31 1HB LEU 31 85.483 2.890 -5.855 228 2HB LEU 31 2HB LEU 31 84.460 4.226 -6.386 229 HG LEU 31 HG LEU 31 86.235 4.031 -8.468 230 1HD1 LEU 31 1HD1 LEU 31 86.979 1.857 -7.194 231 2HD1 LEU 31 2HD1 LEU 31 85.505 1.176 -7.880 232 3HD1 LEU 31 3HD1 LEU 31 86.763 1.806 -8.944 233 1HD2 LEU 31 1HD2 LEU 31 83.463 3.195 -7.891 234 2HD2 LEU 31 2HD2 LEU 31 84.094 4.142 -9.238 235 3HD2 LEU 31 3HD2 LEU 31 84.194 2.382 -9.275 236 H GLY 32 H GLY 32 88.211 6.654 -6.307 237 1HA GLY 32 1HA GLY 32 88.199 7.673 -8.789 238 2HA GLY 32 2HA GLY 32 86.614 8.219 -8.241 239 H GLY 33 H GLY 33 88.152 10.270 -8.823 240 1HA GLY 33 1HA GLY 33 88.627 12.313 -7.642 241 2HA GLY 33 2HA GLY 33 88.890 11.371 -6.172 242 H SER 34 H SER 34 90.753 13.297 -6.931 243 HA SER 34 HA SER 34 93.203 11.805 -6.934 244 1HB SER 34 1HB SER 34 93.690 12.866 -9.386 245 2HB SER 34 2HB SER 34 93.064 11.237 -9.154 246 HG SER 34 HG SER 34 91.917 13.272 -10.389 247 H GLY 35 H GLY 35 94.884 13.192 -6.346 248 1HA GLY 35 1HA GLY 35 95.718 15.622 -6.909 249 2HA GLY 35 2HA GLY 35 94.188 16.082 -6.161 250 H THR 36 H THR 36 96.453 17.035 -4.994 251 HA THR 36 HA THR 36 97.889 15.635 -3.093 252 HB THR 36 HB THR 36 96.497 18.325 -2.960 253 HG1 THR 36 HG1 THR 36 99.108 17.434 -3.591 254 1HG2 THR 36 1HG2 THR 36 97.176 17.253 -0.692 255 2HG2 THR 36 2HG2 THR 36 98.831 17.529 -1.233 256 3HG2 THR 36 3HG2 THR 36 97.729 18.891 -1.038 257 HA PRO 37 HA PRO 37 94.943 13.884 -0.328 258 1HB PRO 37 1HB PRO 37 96.517 13.651 1.902 259 2HB PRO 37 2HB PRO 37 96.673 12.585 0.490 260 1HG PRO 37 1HG PRO 37 98.316 14.942 1.274 261 2HG PRO 37 2HG PRO 37 98.820 13.400 0.563 262 1HD PRO 37 1HD PRO 37 98.575 15.697 -0.875 263 2HD PRO 37 2HD PRO 37 98.347 14.078 -1.574 264 H VAL 38 H VAL 38 93.817 14.395 1.746 265 HA VAL 38 HA VAL 38 93.944 17.327 2.344 266 HB VAL 38 HB VAL 38 91.599 17.068 2.925 267 1HG1 VAL 38 1HG1 VAL 38 92.511 15.720 0.389 268 2HG1 VAL 38 2HG1 VAL 38 90.793 15.858 0.760 269 3HG1 VAL 38 3HG1 VAL 38 91.779 17.311 0.593 270 1HG2 VAL 38 1HG2 VAL 38 92.329 14.155 2.864 271 2HG2 VAL 38 2HG2 VAL 38 91.410 15.046 4.077 272 3HG2 VAL 38 3HG2 VAL 38 90.666 14.636 2.531 273 H ASP 39 H ASP 39 94.066 14.108 3.779 274 HA ASP 39 HA ASP 39 95.120 15.266 6.282 275 1HB ASP 39 1HB ASP 39 92.362 14.580 5.890 276 2HB ASP 39 2HB ASP 39 93.059 13.440 7.042 277 H ASP 40 H ASP 40 95.969 13.526 7.716 278 HA ASP 40 HA ASP 40 97.567 11.610 6.527 279 1HB ASP 40 1HB ASP 40 96.464 12.201 9.141 280 2HB ASP 40 2HB ASP 40 96.627 10.456 8.926 281 H LEU 41 H LEU 41 94.142 11.190 7.475 282 HA LEU 41 HA LEU 41 93.923 8.409 6.866 283 1HB LEU 41 1HB LEU 41 92.301 9.932 8.093 284 2HB LEU 41 2HB LEU 41 91.817 10.563 6.517 285 HG LEU 41 HG LEU 41 91.432 8.086 5.865 286 1HD1 LEU 41 1HD1 LEU 41 92.627 7.323 8.005 287 2HD1 LEU 41 2HD1 LEU 41 91.155 7.785 8.858 288 3HD1 LEU 41 3HD1 LEU 41 91.101 6.525 7.627 289 1HD2 LEU 41 1HD2 LEU 41 89.774 10.045 6.853 290 2HD2 LEU 41 2HD2 LEU 41 89.225 8.496 6.214 291 3HD2 LEU 41 3HD2 LEU 41 89.446 8.705 7.951 292 H ASP 42 H ASP 42 93.164 11.272 4.843 293 HA ASP 42 HA ASP 42 92.466 9.866 2.473 294 1HB ASP 42 1HB ASP 42 92.165 12.310 3.021 295 2HB ASP 42 2HB ASP 42 93.893 12.531 2.743 296 H ARG 43 H ARG 43 95.612 10.977 3.700 297 HA ARG 43 HA ARG 43 97.280 10.432 1.507 298 1HB ARG 43 1HB ARG 43 97.483 10.374 4.497 299 2HB ARG 43 2HB ARG 43 98.847 9.763 3.560 300 1HG ARG 43 1HG ARG 43 97.820 12.271 2.485 301 2HG ARG 43 2HG ARG 43 98.344 12.434 4.164 302 1HD ARG 43 1HD ARG 43 100.152 12.780 2.374 303 2HD ARG 43 2HD ARG 43 100.543 11.608 3.640 304 HE ARG 43 HE ARG 43 99.180 10.265 1.556 305 1HH1 ARG 43 1HH1 ARG 43 101.610 12.387 0.915 306 2HH1 ARG 43 2HH1 ARG 43 102.769 11.218 0.378 307 1HH2 ARG 43 1HH2 ARG 43 100.899 8.491 1.430 308 2HH2 ARG 43 2HH2 ARG 43 102.367 9.010 0.670 309 H CYS 44 H CYS 44 95.852 8.247 3.878 310 HA CYS 44 HA CYS 44 97.308 5.896 3.179 311 1HB CYS 44 1HB CYS 44 94.485 6.121 4.246 312 2HB CYS 44 2HB CYS 44 95.624 4.804 4.518 313 H CYS 45 H CYS 45 94.101 7.098 2.170 314 HA CYS 45 HA CYS 45 93.421 4.966 0.412 315 1HB CYS 45 1HB CYS 45 92.774 7.931 0.305 316 2HB CYS 45 2HB CYS 45 91.869 6.662 -0.522 317 H GLN 46 H GLN 46 95.267 7.969 -0.150 318 HA GLN 46 HA GLN 46 95.587 7.769 -2.965 319 1HB GLN 46 1HB GLN 46 96.271 9.743 -1.769 320 2HB GLN 46 2HB GLN 46 97.332 8.811 -0.714 321 1HG GLN 46 1HG GLN 46 98.858 8.354 -2.511 322 2HG GLN 46 2HG GLN 46 97.731 8.985 -3.710 323 1HE2 GLN 46 2HE2 GLN 46 100.086 10.200 -3.903 324 2HE2 GLN 46 1HE2 GLN 46 100.098 11.722 -3.156 325 H THR 47 H THR 47 97.573 6.460 -0.319 326 HA THR 47 HA THR 47 99.535 5.130 -1.856 327 HB THR 47 HB THR 47 98.237 4.421 0.794 328 HG1 THR 47 HG1 THR 47 99.454 6.544 0.204 329 1HG2 THR 47 1HG2 THR 47 99.654 2.626 -0.350 330 2HG2 THR 47 2HG2 THR 47 101.023 3.716 -0.138 331 3HG2 THR 47 3HG2 THR 47 100.160 3.099 1.271 332 H HIS 48 H HIS 48 96.224 4.258 -1.040 333 HA HIS 48 HA HIS 48 96.304 1.476 -1.702 334 1HB HIS 48 1HB HIS 48 94.509 2.888 -0.521 335 2HB HIS 48 2HB HIS 48 93.998 3.394 -2.132 336 HD1 HIS 48 HD1 HIS 48 91.723 2.092 -1.771 337 HD2 HIS 48 HD2 HIS 48 95.123 -0.320 -1.778 338 HE1 HIS 48 HE1 HIS 48 90.908 -0.294 -2.014 339 H ASP 49 H ASP 49 95.399 4.328 -3.658 340 HA ASP 49 HA ASP 49 94.935 2.968 -6.099 341 1HB ASP 49 1HB ASP 49 95.667 5.732 -5.205 342 2HB ASP 49 2HB ASP 49 95.705 5.374 -6.931 343 H ASN 50 H ASN 50 97.880 4.430 -4.748 344 HA ASN 50 HA ASN 50 99.618 3.904 -6.935 345 1HB ASN 50 1HB ASN 50 99.802 4.511 -4.016 346 2HB ASN 50 2HB ASN 50 101.267 3.958 -4.825 347 1HD2 ASN 50 2HD2 ASN 50 101.005 6.644 -3.819 348 2HD2 ASN 50 1HD2 ASN 50 100.999 7.705 -5.143 349 H CYS 51 H CYS 51 98.390 1.897 -4.348 350 HA CYS 51 HA CYS 51 100.379 -0.220 -4.608 351 1HB CYS 51 1HB CYS 51 98.820 0.462 -2.636 352 2HB CYS 51 2HB CYS 51 97.589 -0.474 -3.484 353 H TYR 52 H TYR 52 97.040 0.295 -5.763 354 HA TYR 52 HA TYR 52 96.692 -2.237 -7.044 355 1HB TYR 52 1HB TYR 52 95.521 0.513 -7.177 356 2HB TYR 52 2HB TYR 52 95.102 -0.621 -8.461 357 HD1 TYR 52 HD1 TYR 52 95.786 -1.184 -4.823 358 HD2 TYR 52 HD2 TYR 52 92.924 -1.385 -8.020 359 HE1 TYR 52 HE1 TYR 52 94.173 -2.303 -3.309 360 HE2 TYR 52 HE2 TYR 52 91.310 -2.505 -6.505 361 HH TYR 52 HH TYR 52 90.939 -3.277 -4.464 362 H LYS 53 H LYS 53 98.446 0.647 -7.983 363 HA LYS 53 HA LYS 53 98.624 0.023 -10.830 364 1HB LYS 53 1HB LYS 53 100.652 1.614 -9.259 365 2HB LYS 53 2HB LYS 53 100.047 1.910 -10.887 366 1HG LYS 53 1HG LYS 53 97.853 1.998 -9.049 367 2HG LYS 53 2HG LYS 53 99.132 3.048 -8.461 368 1HD LYS 53 1HD LYS 53 99.210 3.742 -11.047 369 2HD LYS 53 2HD LYS 53 97.520 3.246 -10.958 370 1HE LYS 53 1HE LYS 53 97.651 4.734 -8.700 371 2HE LYS 53 2HE LYS 53 98.870 5.571 -9.683 372 1HZ LYS 53 1HZ LYS 53 97.292 5.638 -11.516 373 2HZ LYS 53 2HZ LYS 53 96.119 4.870 -10.563 374 3HZ LYS 53 3HZ LYS 53 96.657 6.428 -10.153 375 H GLN 54 H GLN 54 100.865 -0.144 -8.098 376 HA GLN 54 HA GLN 54 103.026 -1.465 -9.297 377 1HB GLN 54 1HB GLN 54 101.797 -1.692 -6.533 378 2HB GLN 54 2HB GLN 54 103.388 -2.334 -6.942 379 1HG GLN 54 1HG GLN 54 102.539 0.568 -7.203 380 2HG GLN 54 2HG GLN 54 103.583 -0.089 -5.941 381 1HE2 GLN 54 2HE2 GLN 54 103.731 1.538 -8.841 382 2HE2 GLN 54 1HE2 GLN 54 105.268 1.042 -9.361 383 H ALA 55 H ALA 55 99.981 -2.757 -8.060 384 HA ALA 55 HA ALA 55 100.584 -5.549 -8.277 385 1HB ALA 55 1HB ALA 55 98.487 -3.907 -7.474 386 2HB ALA 55 2HB ALA 55 97.825 -4.746 -8.877 387 3HB ALA 55 3HB ALA 55 98.445 -5.670 -7.508 388 H LYS 56 H LYS 56 99.386 -3.164 -10.610 389 HA LYS 56 HA LYS 56 98.770 -5.035 -12.722 390 1HB LYS 56 1HB LYS 56 99.306 -2.083 -12.447 391 2HB LYS 56 2HB LYS 56 99.115 -2.793 -14.050 392 1HG LYS 56 1HG LYS 56 96.966 -3.886 -12.995 393 2HG LYS 56 2HG LYS 56 97.107 -2.568 -11.830 394 1HD LYS 56 1HD LYS 56 96.821 -2.342 -14.836 395 2HD LYS 56 2HD LYS 56 95.690 -1.779 -13.607 396 1HE LYS 56 1HE LYS 56 97.701 -0.331 -12.760 397 2HE LYS 56 2HE LYS 56 98.357 -0.614 -14.384 398 1HZ LYS 56 1HZ LYS 56 95.617 0.380 -13.800 399 2HZ LYS 56 2HZ LYS 56 96.912 1.353 -14.315 400 3HZ LYS 56 3HZ LYS 56 96.295 0.153 -15.342 401 H LYS 57 H LYS 57 101.548 -2.808 -12.285 402 HA LYS 57 HA LYS 57 103.118 -3.713 -14.433 403 1HB LYS 57 1HB LYS 57 103.421 -2.220 -11.916 404 2HB LYS 57 2HB LYS 57 104.910 -2.994 -12.462 405 1HG LYS 57 1HG LYS 57 104.986 -0.937 -13.579 406 2HG LYS 57 2HG LYS 57 104.272 -1.996 -14.795 407 1HD LYS 57 1HD LYS 57 102.513 -0.594 -14.886 408 2HD LYS 57 2HD LYS 57 102.113 -1.081 -13.238 409 1HE LYS 57 1HE LYS 57 104.292 0.920 -13.453 410 2HE LYS 57 2HE LYS 57 102.679 1.494 -13.922 411 1HZ LYS 57 1HZ LYS 57 102.860 -0.206 -11.554 412 2HZ LYS 57 2HZ LYS 57 103.440 1.384 -11.398 413 3HZ LYS 57 3HZ LYS 57 101.832 1.112 -11.867 414 H LEU 58 H LEU 58 102.674 -5.045 -11.195 415 HA LEU 58 HA LEU 58 104.788 -6.767 -10.825 416 1HB LEU 58 1HB LEU 58 102.103 -6.488 -9.980 417 2HB LEU 58 2HB LEU 58 102.298 -8.183 -10.425 418 HG LEU 58 HG LEU 58 104.397 -8.225 -9.026 419 1HD1 LEU 58 1HD1 LEU 58 103.857 -5.414 -8.960 420 2HD1 LEU 58 2HD1 LEU 58 103.756 -6.036 -7.313 421 3HD1 LEU 58 3HD1 LEU 58 105.223 -6.279 -8.259 422 1HD2 LEU 58 1HD2 LEU 58 102.135 -8.999 -8.221 423 2HD2 LEU 58 2HD2 LEU 58 103.204 -8.453 -6.929 424 3HD2 LEU 58 3HD2 LEU 58 101.906 -7.405 -7.503 425 H ASP 59 H ASP 59 105.765 -8.155 -12.251 426 HA ASP 59 HA ASP 59 104.979 -8.947 -14.772 427 1HB ASP 59 1HB ASP 59 106.481 -10.395 -12.581 428 2HB ASP 59 2HB ASP 59 106.365 -11.050 -14.215 429 H SER 60 H SER 60 104.353 -10.885 -11.819 430 HA SER 60 HA SER 60 102.833 -12.946 -12.899 431 1HB SER 60 1HB SER 60 103.001 -11.484 -10.314 432 2HB SER 60 2HB SER 60 101.614 -12.549 -10.526 433 HG SER 60 HG SER 60 104.316 -13.129 -10.304 434 H CYS 61 H CYS 61 101.468 -9.921 -11.529 435 HA CYS 61 HA CYS 61 98.779 -10.402 -12.373 436 1HB CYS 61 1HB CYS 61 100.450 -8.065 -11.505 437 2HB CYS 61 2HB CYS 61 98.823 -7.766 -12.117 438 H LYS 62 H LYS 62 101.483 -8.706 -13.950 439 HA LYS 62 HA LYS 62 100.001 -7.598 -16.135 440 1HB LYS 62 1HB LYS 62 102.576 -7.564 -15.146 441 2HB LYS 62 2HB LYS 62 102.769 -8.452 -16.658 442 1HG LYS 62 1HG LYS 62 101.137 -6.440 -17.483 443 2HG LYS 62 2HG LYS 62 102.046 -5.614 -16.216 444 1HD LYS 62 1HD LYS 62 104.022 -7.018 -17.528 445 2HD LYS 62 2HD LYS 62 102.949 -6.559 -18.850 446 1HE LYS 62 1HE LYS 62 104.480 -4.729 -18.613 447 2HE LYS 62 2HE LYS 62 102.990 -4.184 -17.815 448 1HZ LYS 62 1HZ LYS 62 103.926 -5.210 -15.736 449 2HZ LYS 62 2HZ LYS 62 105.412 -5.337 -16.549 450 3HZ LYS 62 3HZ LYS 62 104.725 -3.811 -16.276 451 H VAL 63 H VAL 63 100.809 -10.853 -15.410 452 HA VAL 63 HA VAL 63 100.138 -11.648 -18.224 453 HB VAL 63 HB VAL 63 102.568 -11.858 -17.572 454 1HG1 VAL 63 1HG1 VAL 63 101.349 -13.059 -15.256 455 2HG1 VAL 63 2HG1 VAL 63 102.403 -14.239 -16.036 456 3HG1 VAL 63 3HG1 VAL 63 103.050 -12.677 -15.531 457 1HG2 VAL 63 1HG2 VAL 63 100.938 -14.329 -18.200 458 2HG2 VAL 63 2HG2 VAL 63 101.801 -13.288 -19.331 459 3HG2 VAL 63 3HG2 VAL 63 102.701 -14.327 -18.226 460 H LEU 64 H LEU 64 98.170 -11.419 -16.202 461 HA LEU 64 HA LEU 64 97.562 -14.306 -15.652 462 1HB LEU 64 1HB LEU 64 97.536 -11.852 -13.950 463 2HB LEU 64 2HB LEU 64 96.277 -13.052 -13.658 464 HG LEU 64 HG LEU 64 99.200 -13.804 -13.845 465 1HD1 LEU 64 1HD1 LEU 64 97.753 -12.432 -11.694 466 2HD1 LEU 64 2HD1 LEU 64 98.495 -13.943 -11.171 467 3HD1 LEU 64 3HD1 LEU 64 99.487 -12.681 -11.898 468 1HD2 LEU 64 1HD2 LEU 64 97.460 -15.575 -14.115 469 2HD2 LEU 64 2HD2 LEU 64 98.434 -15.807 -12.664 470 3HD2 LEU 64 3HD2 LEU 64 96.807 -15.138 -12.536 471 H VAL 65 H VAL 65 95.671 -11.324 -15.166 472 HA VAL 65 HA VAL 65 93.858 -12.115 -17.334 473 HB VAL 65 HB VAL 65 93.064 -11.583 -14.476 474 1HG1 VAL 65 1HG1 VAL 65 91.566 -11.781 -17.008 475 2HG1 VAL 65 2HG1 VAL 65 90.920 -12.780 -15.706 476 3HG1 VAL 65 3HG1 VAL 65 91.095 -11.040 -15.478 477 1HG2 VAL 65 1HG2 VAL 65 93.608 -14.073 -16.029 478 2HG2 VAL 65 2HG2 VAL 65 93.852 -13.744 -14.313 479 3HG2 VAL 65 3HG2 VAL 65 92.236 -14.102 -14.921 480 H ASP 66 H ASP 66 95.742 -9.917 -16.487 481 HA ASP 66 HA ASP 66 95.784 -7.519 -16.339 482 1HB ASP 66 1HB ASP 66 94.995 -8.708 -18.799 483 2HB ASP 66 2HB ASP 66 94.073 -7.214 -18.627 484 H ASN 67 H ASN 67 94.032 -8.008 -14.390 485 HA ASN 67 HA ASN 67 92.106 -5.849 -14.579 486 1HB ASN 67 1HB ASN 67 91.342 -8.159 -15.833 487 2HB ASN 67 2HB ASN 67 90.681 -8.417 -14.218 488 1HD2 ASN 67 2HD2 ASN 67 88.755 -8.103 -16.109 489 2HD2 ASN 67 1HD2 ASN 67 88.069 -6.552 -16.056 490 HA PRO 68 HA PRO 68 93.277 -7.602 -10.387 491 1HB PRO 68 1HB PRO 68 94.822 -5.504 -9.551 492 2HB PRO 68 2HB PRO 68 95.480 -6.893 -10.439 493 1HG PRO 68 1HG PRO 68 94.803 -4.169 -11.419 494 2HG PRO 68 2HG PRO 68 96.143 -5.233 -11.870 495 1HD PRO 68 1HD PRO 68 93.888 -4.886 -13.385 496 2HD PRO 68 2HD PRO 68 94.905 -6.342 -13.434 497 H TYR 69 H TYR 69 90.824 -6.562 -10.972 498 HA TYR 69 HA TYR 69 90.434 -4.511 -8.825 499 1HB TYR 69 1HB TYR 69 90.407 -3.960 -11.511 500 2HB TYR 69 2HB TYR 69 88.704 -4.313 -11.215 501 HD1 TYR 69 HD1 TYR 69 87.602 -3.142 -9.153 502 HD2 TYR 69 HD2 TYR 69 91.276 -1.839 -10.957 503 HE1 TYR 69 HE1 TYR 69 87.316 -0.905 -8.120 504 HE2 TYR 69 HE2 TYR 69 90.989 0.398 -9.923 505 HH TYR 69 HH TYR 69 89.121 1.796 -9.059 506 H THR 70 H THR 70 89.875 -7.555 -9.350 507 HA THR 70 HA THR 70 87.511 -7.771 -7.808 508 HB THR 70 HB THR 70 86.359 -6.799 -9.686 509 HG1 THR 70 HG1 THR 70 85.372 -8.932 -10.543 510 1HG2 THR 70 1HG2 THR 70 87.990 -8.769 -11.295 511 2HG2 THR 70 2HG2 THR 70 86.569 -7.961 -11.957 512 3HG2 THR 70 3HG2 THR 70 87.962 -7.011 -11.436 513 H ASN 71 H ASN 71 89.939 -9.130 -7.768 514 HA ASN 71 HA ASN 71 89.505 -11.765 -9.067 515 1HB ASN 71 1HB ASN 71 91.709 -10.677 -9.149 516 2HB ASN 71 2HB ASN 71 91.752 -10.600 -7.387 517 1HD2 ASN 71 2HD2 ASN 71 92.533 -12.433 -6.285 518 2HD2 ASN 71 1HD2 ASN 71 92.886 -13.916 -7.034 519 H ASN 72 H ASN 72 88.876 -10.203 -6.095 520 HA ASN 72 HA ASN 72 88.076 -11.012 -4.027 521 1HB ASN 72 1HB ASN 72 86.509 -12.108 -5.578 522 2HB ASN 72 2HB ASN 72 87.643 -13.442 -5.794 523 1HD2 ASN 72 2HD2 ASN 72 86.334 -11.680 -2.916 524 2HD2 ASN 72 1HD2 ASN 72 85.916 -13.090 -2.067 525 H TYR 73 H TYR 73 89.904 -11.141 -2.710 526 HA TYR 73 HA TYR 73 91.617 -13.585 -2.917 527 1HB TYR 73 1HB TYR 73 93.129 -12.139 -1.465 528 2HB TYR 73 2HB TYR 73 92.809 -11.495 -3.076 529 HD1 TYR 73 HD1 TYR 73 91.373 -11.412 0.392 530 HD2 TYR 73 HD2 TYR 73 92.093 -9.286 -3.271 531 HE1 TYR 73 HE1 TYR 73 90.428 -9.353 1.401 532 HE2 TYR 73 HE2 TYR 73 91.148 -7.227 -2.261 533 HH TYR 73 HH TYR 73 90.873 -6.327 0.161 534 H SER 74 H SER 74 92.194 -14.650 -0.849 535 HA SER 74 HA SER 74 89.894 -14.678 1.026 536 1HB SER 74 1HB SER 74 92.202 -16.449 0.300 537 2HB SER 74 2HB SER 74 91.420 -16.679 1.861 538 HG SER 74 HG SER 74 90.470 -17.105 -0.717 539 H TYR 75 H TYR 75 90.037 -13.897 3.107 540 HA TYR 75 HA TYR 75 92.696 -13.425 4.334 541 1HB TYR 75 1HB TYR 75 92.364 -11.073 4.546 542 2HB TYR 75 2HB TYR 75 91.907 -11.443 2.884 543 HD1 TYR 75 HD1 TYR 75 89.434 -11.774 2.333 544 HD2 TYR 75 HD2 TYR 75 90.778 -10.160 6.080 545 HE1 TYR 75 HE1 TYR 75 87.166 -10.862 2.755 546 HE2 TYR 75 HE2 TYR 75 88.511 -9.248 6.501 547 HH TYR 75 HH TYR 75 86.514 -8.550 5.064 548 H SER 76 H SER 76 92.501 -12.992 6.664 549 HA SER 76 HA SER 76 89.828 -13.768 7.793 550 1HB SER 76 1HB SER 76 92.332 -15.087 7.871 551 2HB SER 76 2HB SER 76 92.085 -14.419 9.482 552 HG SER 76 HG SER 76 90.379 -16.133 7.998 553 H CYS 77 H CYS 77 89.613 -12.990 10.129 554 HA CYS 77 HA CYS 77 91.113 -10.422 10.534 555 1HB CYS 77 1HB CYS 77 88.902 -9.895 9.805 556 2HB CYS 77 2HB CYS 77 88.194 -11.113 10.855 557 H SER 78 H SER 78 91.103 -9.738 12.812 558 HA SER 78 HA SER 78 90.345 -11.212 15.075 559 1HB SER 78 1HB SER 78 92.691 -12.383 15.390 560 2HB SER 78 2HB SER 78 91.462 -13.148 14.387 561 HG SER 78 HG SER 78 92.892 -13.019 12.860 562 H ASN 79 H ASN 79 91.217 -10.295 16.995 563 HA ASN 79 HA ASN 79 92.082 -8.415 18.180 564 1HB ASN 79 1HB ASN 79 94.495 -9.430 16.647 565 2HB ASN 79 2HB ASN 79 94.520 -8.595 18.201 566 1HD2 ASN 79 2HD2 ASN 79 95.536 -11.311 17.743 567 2HD2 ASN 79 1HD2 ASN 79 94.601 -12.354 18.701 568 H ASN 80 H ASN 80 90.810 -7.289 16.054 569 HA ASN 80 HA ASN 80 90.821 -5.527 14.517 570 1HB ASN 80 1HB ASN 80 92.988 -4.515 16.348 571 2HB ASN 80 2HB ASN 80 91.742 -3.597 15.532 572 1HD2 ASN 80 2HD2 ASN 80 89.587 -5.394 16.156 573 2HD2 ASN 80 1HD2 ASN 80 89.326 -5.252 17.810 574 H GLU 81 H GLU 81 92.481 -7.696 13.797 575 HA GLU 81 HA GLU 81 94.567 -6.273 12.248 576 1HB GLU 81 1HB GLU 81 94.721 -8.841 13.820 577 2HB GLU 81 2HB GLU 81 95.880 -8.472 12.543 578 1HG GLU 81 1HG GLU 81 95.729 -6.125 14.056 579 2HG GLU 81 2HG GLU 81 95.738 -7.425 15.243 580 H ILE 82 H ILE 82 95.091 -7.375 10.194 581 HA ILE 82 HA ILE 82 92.764 -8.993 9.209 582 HB ILE 82 HB ILE 82 94.670 -7.126 7.761 583 1HG1 ILE 82 1HG1 ILE 82 91.717 -6.692 8.138 584 2HG1 ILE 82 2HG1 ILE 82 92.832 -6.254 9.433 585 1HG2 ILE 82 1HG2 ILE 82 92.229 -8.671 6.839 586 2HG2 ILE 82 2HG2 ILE 82 92.998 -7.391 5.902 587 3HG2 ILE 82 3HG2 ILE 82 93.885 -8.871 6.266 588 1HD1 ILE 82 1HD1 ILE 82 94.165 -5.007 7.601 589 2HD1 ILE 82 2HD1 ILE 82 92.706 -5.165 6.623 590 3HD1 ILE 82 3HD1 ILE 82 92.655 -4.278 8.146 591 H THR 83 H THR 83 93.197 -10.999 8.398 592 HA THR 83 HA THR 83 96.068 -11.806 8.134 593 HB THR 83 HB THR 83 93.515 -13.075 9.041 594 HG1 THR 83 HG1 THR 83 95.406 -14.098 10.319 595 1HG2 THR 83 1HG2 THR 83 95.800 -14.597 7.760 596 2HG2 THR 83 2HG2 THR 83 94.572 -15.342 8.782 597 3HG2 THR 83 3HG2 THR 83 94.111 -14.594 7.253 598 H CYS 84 H CYS 84 96.779 -12.468 6.123 599 HA CYS 84 HA CYS 84 94.718 -12.770 3.962 600 1HB CYS 84 1HB CYS 84 97.477 -11.574 4.114 601 2HB CYS 84 2HB CYS 84 96.865 -12.154 2.565 602 H SER 85 H SER 85 94.602 -14.820 3.130 603 HA SER 85 HA SER 85 95.903 -17.095 3.974 604 1HB SER 85 1HB SER 85 95.589 -17.145 1.091 605 2HB SER 85 2HB SER 85 94.622 -17.951 2.322 606 HG SER 85 HG SER 85 94.368 -15.312 1.316 607 H SER 86 H SER 86 98.034 -17.675 4.027 608 HA SER 86 HA SER 86 100.145 -16.180 2.822 609 1HB SER 86 1HB SER 86 101.414 -18.355 3.397 610 2HB SER 86 2HB SER 86 100.589 -17.541 4.723 611 HG SER 86 HG SER 86 99.098 -19.083 4.761 612 H GLU 87 H GLU 87 98.345 -19.028 1.711 613 HA GLU 87 HA GLU 87 99.957 -19.870 -0.440 614 1HB GLU 87 1HB GLU 87 97.040 -19.818 0.234 615 2HB GLU 87 2HB GLU 87 97.498 -20.291 -1.402 616 1HG GLU 87 1HG GLU 87 99.281 -21.652 0.302 617 2HG GLU 87 2HG GLU 87 97.692 -21.816 1.051 618 H ASN 88 H ASN 88 98.088 -16.968 -0.055 619 HA ASN 88 HA ASN 88 97.469 -16.127 -2.620 620 1HB ASN 88 1HB ASN 88 98.468 -14.807 -0.121 621 2HB ASN 88 2HB ASN 88 98.283 -13.824 -1.574 622 1HD2 ASN 88 2HD2 ASN 88 96.505 -12.764 -0.187 623 2HD2 ASN 88 1HD2 ASN 88 94.964 -13.475 -0.209 624 H ASN 89 H ASN 89 98.713 -15.976 -4.452 625 HA ASN 89 HA ASN 89 101.609 -16.196 -4.371 626 1HB ASN 89 1HB ASN 89 101.368 -16.015 -6.801 627 2HB ASN 89 2HB ASN 89 100.097 -17.058 -6.165 628 1HD2 ASN 89 2HD2 ASN 89 99.337 -16.093 -8.517 629 2HD2 ASN 89 1HD2 ASN 89 98.303 -14.754 -8.389 630 H ALA 90 H ALA 90 102.594 -14.409 -6.144 631 HA ALA 90 HA ALA 90 103.110 -12.067 -4.717 632 1HB ALA 90 1HB ALA 90 103.006 -12.538 -7.712 633 2HB ALA 90 2HB ALA 90 103.870 -11.214 -6.929 634 3HB ALA 90 3HB ALA 90 104.378 -12.882 -6.657 635 H CYS 91 H CYS 91 100.703 -12.497 -7.340 636 HA CYS 91 HA CYS 91 99.643 -9.835 -7.212 637 1HB CYS 91 1HB CYS 91 98.738 -12.517 -8.238 638 2HB CYS 91 2HB CYS 91 97.650 -11.131 -8.314 639 H GLU 92 H GLU 92 98.144 -12.880 -6.016 640 HA GLU 92 HA GLU 92 96.048 -11.651 -4.556 641 1HB GLU 92 1HB GLU 92 96.667 -14.143 -5.197 642 2HB GLU 92 2HB GLU 92 97.408 -14.150 -3.596 643 1HG GLU 92 1HG GLU 92 95.217 -14.857 -3.141 644 2HG GLU 92 2HG GLU 92 95.138 -13.125 -2.811 645 H ALA 93 H ALA 93 99.406 -12.321 -3.660 646 HA ALA 93 HA ALA 93 99.089 -11.655 -0.852 647 1HB ALA 93 1HB ALA 93 100.885 -13.073 -1.953 648 2HB ALA 93 2HB ALA 93 101.576 -11.580 -2.589 649 3HB ALA 93 3HB ALA 93 101.503 -11.846 -0.847 650 H PHE 94 H PHE 94 100.355 -9.873 -3.691 651 HA PHE 94 HA PHE 94 100.915 -7.442 -2.249 652 1HB PHE 94 1HB PHE 94 101.743 -8.275 -4.538 653 2HB PHE 94 2HB PHE 94 100.197 -7.714 -5.177 654 HD1 PHE 94 HD1 PHE 94 99.561 -5.296 -4.960 655 HD2 PHE 94 HD2 PHE 94 103.480 -6.738 -3.951 656 HE1 PHE 94 HE1 PHE 94 100.437 -2.979 -5.050 657 HE2 PHE 94 HE2 PHE 94 104.355 -4.419 -4.040 658 HZ PHE 94 HZ PHE 94 102.834 -2.539 -4.589 659 H ILE 95 H ILE 95 98.112 -8.515 -4.193 660 HA ILE 95 HA ILE 95 96.590 -6.110 -4.002 661 HB ILE 95 HB ILE 95 95.761 -9.026 -4.183 662 1HG1 ILE 95 1HG1 ILE 95 96.068 -6.962 -6.384 663 2HG1 ILE 95 2HG1 ILE 95 97.339 -8.107 -5.954 664 1HG2 ILE 95 1HG2 ILE 95 94.189 -6.678 -3.844 665 2HG2 ILE 95 2HG2 ILE 95 93.998 -7.194 -5.519 666 3HG2 ILE 95 3HG2 ILE 95 93.628 -8.310 -4.205 667 1HD1 ILE 95 1HD1 ILE 95 95.801 -9.985 -6.408 668 2HD1 ILE 95 2HD1 ILE 95 94.532 -8.839 -6.840 669 3HD1 ILE 95 3HD1 ILE 95 95.984 -8.961 -7.832 670 H CYS 96 H CYS 96 96.979 -8.844 -1.773 671 HA CYS 96 HA CYS 96 94.829 -8.106 0.023 672 1HB CYS 96 1HB CYS 96 96.537 -10.232 -0.357 673 2HB CYS 96 2HB CYS 96 97.189 -9.508 1.113 674 H ASN 97 H ASN 97 98.138 -7.067 -0.411 675 HA ASN 97 HA ASN 97 98.387 -5.803 2.220 676 1HB ASN 97 1HB ASN 97 99.952 -5.995 -0.340 677 2HB ASN 97 2HB ASN 97 100.422 -4.805 0.869 678 1HD2 ASN 97 2HD2 ASN 97 102.324 -6.648 0.515 679 2HD2 ASN 97 1HD2 ASN 97 102.321 -7.816 1.740 680 H CYS 98 H CYS 98 97.449 -4.832 -1.048 681 HA CYS 98 HA CYS 98 97.591 -1.986 -0.681 682 1HB CYS 98 1HB CYS 98 95.820 -3.720 -2.435 683 2HB CYS 98 2HB CYS 98 96.114 -1.999 -2.677 684 H ASP 99 H ASP 99 94.887 -4.301 -0.336 685 HA ASP 99 HA ASP 99 92.977 -2.305 0.544 686 1HB ASP 99 1HB ASP 99 93.123 -5.330 0.751 687 2HB ASP 99 2HB ASP 99 91.682 -4.384 1.122 688 H ARG 100 H ARG 100 95.118 -4.615 2.190 689 HA ARG 100 HA ARG 100 94.148 -4.087 4.865 690 1HB ARG 100 1HB ARG 100 95.450 -6.082 3.927 691 2HB ARG 100 2HB ARG 100 96.883 -5.060 4.010 692 1HG ARG 100 1HG ARG 100 95.842 -4.674 6.501 693 2HG ARG 100 2HG ARG 100 95.360 -6.343 6.194 694 1HD ARG 100 1HD ARG 100 98.064 -6.022 5.298 695 2HD ARG 100 2HD ARG 100 97.939 -5.413 6.956 696 HE ARG 100 HE ARG 100 96.453 -7.791 6.825 697 1HH1 ARG 100 1HH1 ARG 100 99.679 -6.606 6.742 698 2HH1 ARG 100 2HH1 ARG 100 100.391 -8.124 7.178 699 1HH2 ARG 100 1HH2 ARG 100 97.366 -9.815 7.289 700 2HH2 ARG 100 2HH2 ARG 100 99.082 -9.939 7.489 701 H ASN 101 H ASN 101 96.954 -2.908 2.994 702 HA ASN 101 HA ASN 101 98.157 -1.298 4.992 703 1HB ASN 101 1HB ASN 101 97.992 -1.281 1.986 704 2HB ASN 101 2HB ASN 101 98.849 0.014 2.818 705 1HD2 ASN 101 2HD2 ASN 101 100.488 -1.461 1.290 706 2HD2 ASN 101 1HD2 ASN 101 101.390 -2.562 2.207 707 H ALA 102 H ALA 102 95.379 -0.675 2.899 708 HA ALA 102 HA ALA 102 95.208 2.169 3.543 709 1HB ALA 102 1HB ALA 102 94.063 0.259 1.756 710 2HB ALA 102 2HB ALA 102 92.738 1.036 2.624 711 3HB ALA 102 3HB ALA 102 93.892 2.015 1.718 712 H ALA 103 H ALA 103 93.527 -0.787 4.631 713 HA ALA 103 HA ALA 103 91.658 0.537 6.377 714 1HB ALA 103 1HB ALA 103 92.800 -2.235 6.062 715 2HB ALA 103 2HB ALA 103 91.682 -1.874 7.377 716 3HB ALA 103 3HB ALA 103 91.169 -1.670 5.702 717 H ILE 104 H ILE 104 94.827 -1.007 6.973 718 HA ILE 104 HA ILE 104 94.932 -0.649 9.791 719 HB ILE 104 HB ILE 104 97.103 -0.637 7.670 720 1HG1 ILE 104 1HG1 ILE 104 96.053 -2.919 9.368 721 2HG1 ILE 104 2HG1 ILE 104 95.527 -2.611 7.713 722 1HG2 ILE 104 1HG2 ILE 104 97.847 0.202 9.904 723 2HG2 ILE 104 2HG2 ILE 104 97.283 -1.307 10.623 724 3HG2 ILE 104 3HG2 ILE 104 98.609 -1.326 9.460 725 1HD1 ILE 104 1HD1 ILE 104 98.416 -2.572 7.869 726 2HD1 ILE 104 2HD1 ILE 104 97.788 -4.084 8.523 727 3HD1 ILE 104 3HD1 ILE 104 97.373 -3.594 6.881 728 H CYS 105 H CYS 105 95.883 1.508 7.133 729 HA CYS 105 HA CYS 105 97.096 3.555 8.721 730 1HB CYS 105 1HB CYS 105 97.029 3.086 6.161 731 2HB CYS 105 2HB CYS 105 95.524 4.006 6.188 732 H PHE 106 H PHE 106 93.726 3.096 7.619 733 HA PHE 106 HA PHE 106 92.571 5.475 8.501 734 1HB PHE 106 1HB PHE 106 91.546 2.622 8.570 735 2HB PHE 106 2HB PHE 106 90.518 4.045 8.724 736 HD1 PHE 106 HD1 PHE 106 92.837 5.348 6.660 737 HD2 PHE 106 HD2 PHE 106 89.881 2.229 6.589 738 HE1 PHE 106 HE1 PHE 106 92.707 5.524 4.189 739 HE2 PHE 106 HE2 PHE 106 89.752 2.409 4.120 740 HZ PHE 106 HZ PHE 106 91.164 4.056 2.920 741 H SER 107 H SER 107 93.380 2.555 10.325 742 HA SER 107 HA SER 107 92.269 3.589 12.839 743 1HB SER 107 1HB SER 107 92.743 1.438 13.607 744 2HB SER 107 2HB SER 107 92.603 1.143 11.875 745 HG SER 107 HG SER 107 95.010 1.739 12.001 746 H LYS 108 H LYS 108 95.167 4.059 11.107 747 HA LYS 108 HA LYS 108 96.782 4.571 13.558 748 1HB LYS 108 1HB LYS 108 97.236 4.092 10.648 749 2HB LYS 108 2HB LYS 108 98.437 5.061 11.502 750 1HG LYS 108 1HG LYS 108 97.954 2.950 13.246 751 2HG LYS 108 2HG LYS 108 97.926 2.186 11.656 752 1HD LYS 108 1HD LYS 108 100.128 2.772 11.183 753 2HD LYS 108 2HD LYS 108 100.104 4.149 12.286 754 1HE LYS 108 1HE LYS 108 101.155 2.811 13.792 755 2HE LYS 108 2HE LYS 108 99.633 1.905 13.921 756 1HZ LYS 108 1HZ LYS 108 100.504 0.935 11.644 757 2HZ LYS 108 2HZ LYS 108 102.013 1.319 12.324 758 3HZ LYS 108 3HZ LYS 108 100.961 0.255 13.129 759 H VAL 109 H VAL 109 94.588 6.285 11.789 760 HA VAL 109 HA VAL 109 95.968 8.863 12.410 761 HB VAL 109 HB VAL 109 95.490 9.677 10.196 762 1HG1 VAL 109 1HG1 VAL 109 97.325 7.788 10.647 763 2HG1 VAL 109 2HG1 VAL 109 96.312 6.884 9.521 764 3HG1 VAL 109 3HG1 VAL 109 97.032 8.416 9.025 765 1HG2 VAL 109 1HG2 VAL 109 93.559 7.460 10.256 766 2HG2 VAL 109 2HG2 VAL 109 93.512 8.965 9.338 767 3HG2 VAL 109 3HG2 VAL 109 94.430 7.588 8.727 768 HA PRO 110 HA PRO 110 92.014 10.117 13.842 769 1HB PRO 110 1HB PRO 110 92.043 12.790 13.262 770 2HB PRO 110 2HB PRO 110 93.023 12.074 14.556 771 1HG PRO 110 1HG PRO 110 93.824 12.924 11.826 772 2HG PRO 110 2HG PRO 110 94.721 13.019 13.350 773 1HD PRO 110 1HD PRO 110 95.149 11.114 11.418 774 2HD PRO 110 2HD PRO 110 95.553 10.909 13.135 775 H TYR 111 H TYR 111 89.931 11.215 13.083 776 HA TYR 111 HA TYR 111 89.623 10.960 10.106 777 1HB TYR 111 1HB TYR 111 88.627 9.110 11.408 778 2HB TYR 111 2HB TYR 111 87.710 10.274 12.364 779 HD1 TYR 111 HD1 TYR 111 85.909 11.627 11.316 780 HD2 TYR 111 HD2 TYR 111 87.971 8.537 9.162 781 HE1 TYR 111 HE1 TYR 111 84.123 11.634 9.597 782 HE2 TYR 111 HE2 TYR 111 86.185 8.543 7.442 783 HH TYR 111 HH TYR 111 84.286 9.459 6.771 784 H ASN 112 H ASN 112 88.710 12.742 9.115 785 HA ASN 112 HA ASN 112 87.665 14.917 10.893 786 1HB ASN 112 1HB ASN 112 89.057 14.825 8.212 787 2HB ASN 112 2HB ASN 112 88.233 16.282 8.771 788 1HD2 ASN 112 2HD2 ASN 112 90.589 13.863 10.068 789 2HD2 ASN 112 1HD2 ASN 112 91.539 15.012 10.878 790 H LYS 113 H LYS 113 85.452 14.213 10.936 791 HA LYS 113 HA LYS 113 83.895 13.313 8.763 792 1HB LYS 113 1HB LYS 113 83.578 14.051 11.446 793 2HB LYS 113 2HB LYS 113 82.476 15.111 10.568 794 1HG LYS 113 1HG LYS 113 82.403 12.364 9.573 795 2HG LYS 113 2HG LYS 113 81.964 12.473 11.278 796 1HD LYS 113 1HD LYS 113 79.900 12.919 10.357 797 2HD LYS 113 2HD LYS 113 80.547 14.560 10.371 798 1HE LYS 113 1HE LYS 113 81.146 14.448 8.052 799 2HE LYS 113 2HE LYS 113 80.870 12.695 8.000 800 1HZ LYS 113 1HZ LYS 113 78.799 14.727 8.647 801 2HZ LYS 113 2HZ LYS 113 78.957 13.953 7.147 802 3HZ LYS 113 3HZ LYS 113 78.559 13.050 8.529 803 H GLU 114 H GLU 114 84.831 16.609 9.659 804 HA GLU 114 HA GLU 114 83.037 18.006 7.941 805 1HB GLU 114 1HB GLU 114 85.450 18.491 9.555 806 2HB GLU 114 2HB GLU 114 85.279 19.584 8.180 807 1HG GLU 114 1HG GLU 114 83.647 20.725 9.226 808 2HG GLU 114 2HG GLU 114 82.723 19.243 9.475 809 H HIS 115 H HIS 115 86.116 16.416 7.403 810 HA HIS 115 HA HIS 115 86.665 17.636 4.821 811 1HB HIS 115 1HB HIS 115 87.655 15.294 6.437 812 2HB HIS 115 2HB HIS 115 88.218 15.530 4.786 813 HD1 HIS 115 HD1 HIS 115 90.604 16.239 5.412 814 HD2 HIS 115 HD2 HIS 115 87.674 18.600 7.207 815 HE1 HIS 115 HE1 HIS 115 91.808 18.216 6.435 816 H LYS 116 H LYS 116 84.353 15.381 5.836 817 HA LYS 116 HA LYS 116 84.340 13.486 3.702 818 1HB LYS 116 1HB LYS 116 83.130 13.742 6.048 819 2HB LYS 116 2HB LYS 116 81.866 14.479 5.066 820 1HG LYS 116 1HG LYS 116 82.865 12.061 3.820 821 2HG LYS 116 2HG LYS 116 82.295 11.738 5.458 822 1HD LYS 116 1HD LYS 116 80.568 13.509 3.823 823 2HD LYS 116 2HD LYS 116 80.648 11.826 3.303 824 1HE LYS 116 1HE LYS 116 80.363 12.139 6.221 825 2HE LYS 116 2HE LYS 116 78.978 12.743 5.289 826 1HZ LYS 116 1HZ LYS 116 79.224 10.621 3.945 827 2HZ LYS 116 2HZ LYS 116 80.205 10.050 5.210 828 3HZ LYS 116 3HZ LYS 116 78.586 10.458 5.510 829 H ASN 117 H ASN 117 83.335 13.570 1.676 830 HA ASN 117 HA ASN 117 82.416 14.573 -0.256 831 1HB ASN 117 1HB ASN 117 80.906 16.080 1.907 832 2HB ASN 117 2HB ASN 117 80.392 15.891 0.229 833 1HD2 ASN 117 2HD2 ASN 117 78.527 14.914 1.865 834 2HD2 ASN 117 1HD2 ASN 117 78.599 13.224 2.016 835 H LEU 118 H LEU 118 84.865 15.652 0.216 836 HA LEU 118 HA LEU 118 84.811 18.498 0.609 837 1HB LEU 118 1HB LEU 118 86.734 17.405 1.334 838 2HB LEU 118 2HB LEU 118 86.703 16.287 -0.013 839 HG LEU 118 HG LEU 118 87.260 18.234 -1.499 840 1HD1 LEU 118 1HD1 LEU 118 86.716 19.778 0.653 841 2HD1 LEU 118 2HD1 LEU 118 88.456 19.587 0.869 842 3HD1 LEU 118 3HD1 LEU 118 87.825 20.292 -0.618 843 1HD2 LEU 118 1HD2 LEU 118 88.862 16.527 0.040 844 2HD2 LEU 118 2HD2 LEU 118 89.353 17.408 -1.407 845 3HD2 LEU 118 3HD2 LEU 118 89.614 18.115 0.187 846 H ASP 119 H ASP 119 85.829 19.866 -1.177 847 HA ASP 119 HA ASP 119 84.444 19.313 -3.745 848 1HB ASP 119 1HB ASP 119 84.347 21.476 -2.316 849 2HB ASP 119 2HB ASP 119 85.955 21.804 -2.962 850 H LYS 120 H LYS 120 85.574 18.721 -5.559 851 HA LYS 120 HA LYS 120 88.276 17.950 -5.567 852 1HB LYS 120 1HB LYS 120 86.311 18.800 -7.700 853 2HB LYS 120 2HB LYS 120 87.918 18.198 -8.110 854 1HG LYS 120 1HG LYS 120 87.376 16.167 -6.656 855 2HG LYS 120 2HG LYS 120 85.708 16.739 -6.652 856 1HD LYS 120 1HD LYS 120 87.201 16.421 -9.248 857 2HD LYS 120 2HD LYS 120 86.426 15.032 -8.485 858 1HE LYS 120 1HE LYS 120 84.656 15.796 -9.788 859 2HE LYS 120 2HE LYS 120 84.371 16.756 -8.325 860 1HZ LYS 120 1HZ LYS 120 86.309 18.125 -9.702 861 2HZ LYS 120 2HZ LYS 120 85.222 17.630 -10.907 862 3HZ LYS 120 3HZ LYS 120 84.668 18.549 -9.591 863 H LYS 121 H LYS 121 86.873 21.101 -5.761 864 HA LYS 121 HA LYS 121 88.888 22.511 -7.226 865 1HB LYS 121 1HB LYS 121 86.680 23.056 -5.324 866 2HB LYS 121 2HB LYS 121 87.905 24.317 -5.454 867 1HG LYS 121 1HG LYS 121 86.238 24.810 -7.108 868 2HG LYS 121 2HG LYS 121 87.630 24.160 -7.975 869 1HD LYS 121 1HD LYS 121 86.600 22.059 -8.299 870 2HD LYS 121 2HD LYS 121 85.397 22.361 -7.046 871 1HE LYS 121 1HE LYS 121 84.246 23.975 -8.416 872 2HE LYS 121 2HE LYS 121 85.561 23.979 -9.610 873 1HZ LYS 121 1HZ LYS 121 84.496 21.367 -8.938 874 2HZ LYS 121 2HZ LYS 121 83.420 22.380 -9.777 875 3HZ LYS 121 3HZ LYS 121 84.930 22.005 -10.451 876 H ASN 122 H ASN 122 88.931 21.061 -4.163 877 HA ASN 122 HA ASN 122 91.149 22.748 -3.115 878 1HB ASN 122 1HB ASN 122 89.213 20.689 -2.138 879 2HB ASN 122 2HB ASN 122 90.756 20.808 -1.301 880 1HD2 ASN 122 2HD2 ASN 122 88.028 22.886 -2.408 881 2HD2 ASN 122 1HD2 ASN 122 88.153 23.992 -1.127 882 H CYS 123 H CYS 123 90.556 20.050 -4.995 883 HA CYS 123 HA CYS 123 93.037 18.599 -4.275 884 1HB CYS 123 1HB CYS 123 90.445 18.138 -5.666 885 2HB CYS 123 2HB CYS 123 91.806 17.167 -6.189 Start of MODEL 17 1 1H ALA 1 1H ALA 1 84.813 -5.282 -7.580 2 2H ALA 1 2H ALA 1 84.791 -6.911 -8.063 3 3H ALA 1 3H ALA 1 83.354 -6.009 -8.060 4 HA ALA 1 HA ALA 1 82.944 -6.512 -5.941 5 1HB ALA 1 1HB ALA 1 84.089 -8.584 -6.903 6 2HB ALA 1 2HB ALA 1 85.551 -8.052 -6.072 7 3HB ALA 1 3HB ALA 1 84.107 -8.460 -5.144 8 H LEU 2 H LEU 2 83.203 -4.574 -4.789 9 HA LEU 2 HA LEU 2 85.939 -3.979 -3.720 10 1HB LEU 2 1HB LEU 2 83.703 -2.432 -4.807 11 2HB LEU 2 2HB LEU 2 84.271 -1.795 -3.263 12 HG LEU 2 HG LEU 2 86.554 -2.505 -4.841 13 1HD1 LEU 2 1HD1 LEU 2 84.398 -1.796 -6.484 14 2HD1 LEU 2 2HD1 LEU 2 85.350 -0.318 -6.333 15 3HD1 LEU 2 3HD1 LEU 2 86.104 -1.795 -6.933 16 1HD2 LEU 2 1HD2 LEU 2 85.335 0.016 -3.721 17 2HD2 LEU 2 2HD2 LEU 2 86.787 -0.835 -3.195 18 3HD2 LEU 2 3HD2 LEU 2 86.802 0.085 -4.699 19 H TRP 3 H TRP 3 83.120 -5.474 -2.828 20 HA TRP 3 HA TRP 3 82.625 -4.334 -0.215 21 1HB TRP 3 1HB TRP 3 81.196 -6.278 0.024 22 2HB TRP 3 2HB TRP 3 81.077 -5.730 -1.648 23 HD1 TRP 3 HD1 TRP 3 82.424 -7.148 -3.504 24 HE1 TRP 3 HE1 TRP 3 83.147 -9.624 -3.532 25 HE3 TRP 3 HE3 TRP 3 81.971 -8.259 1.461 26 HZ2 TRP 3 HZ2 TRP 3 83.487 -11.785 -1.697 27 HZ3 TRP 3 HZ3 TRP 3 82.500 -10.534 2.292 28 HH2 TRP 3 HH2 TRP 3 83.257 -12.295 0.719 29 H GLN 4 H GLN 4 84.871 -6.732 -1.462 30 HA GLN 4 HA GLN 4 85.535 -8.042 0.999 31 1HB GLN 4 1HB GLN 4 86.880 -7.543 -1.654 32 2HB GLN 4 2HB GLN 4 87.732 -8.401 -0.369 33 1HG GLN 4 1HG GLN 4 85.163 -9.549 -0.456 34 2HG GLN 4 2HG GLN 4 85.659 -9.375 -2.140 35 1HE2 GLN 4 2HE2 GLN 4 88.480 -9.721 -1.839 36 2HE2 GLN 4 1HE2 GLN 4 88.777 -11.311 -1.324 37 H PHE 5 H PHE 5 86.943 -5.195 -0.638 38 HA PHE 5 HA PHE 5 89.065 -4.690 1.182 39 1HB PHE 5 1HB PHE 5 88.783 -3.624 -1.018 40 2HB PHE 5 2HB PHE 5 87.326 -2.808 -0.452 41 HD1 PHE 5 HD1 PHE 5 90.286 -3.350 1.686 42 HD2 PHE 5 HD2 PHE 5 88.161 -0.549 -0.783 43 HE1 PHE 5 HE1 PHE 5 91.671 -1.501 2.590 44 HE2 PHE 5 HE2 PHE 5 89.545 1.300 0.121 45 HZ PHE 5 HZ PHE 5 91.301 0.823 1.808 46 H ASN 6 H ASN 6 85.870 -3.036 1.093 47 HA ASN 6 HA ASN 6 86.010 -1.580 3.456 48 1HB ASN 6 1HB ASN 6 84.019 -2.614 1.662 49 2HB ASN 6 2HB ASN 6 83.431 -2.790 3.316 50 1HD2 ASN 6 2HD2 ASN 6 81.858 -1.005 2.555 51 2HD2 ASN 6 1HD2 ASN 6 82.381 0.604 2.689 52 H GLY 7 H GLY 7 85.173 -5.031 3.112 53 1HA GLY 7 1HA GLY 7 84.498 -5.601 5.785 54 2HA GLY 7 2HA GLY 7 85.256 -6.765 4.696 55 H MET 8 H MET 8 87.713 -5.458 4.258 56 HA MET 8 HA MET 8 89.200 -6.244 6.596 57 1HB MET 8 1HB MET 8 89.694 -4.910 3.963 58 2HB MET 8 2HB MET 8 90.965 -4.820 5.182 59 1HG MET 8 1HG MET 8 90.415 -7.426 5.401 60 2HG MET 8 2HG MET 8 89.895 -7.199 3.731 61 1HE MET 8 1HE MET 8 91.451 -9.089 3.980 62 2HE MET 8 2HE MET 8 92.666 -8.832 2.731 63 3HE MET 8 3HE MET 8 93.165 -9.002 4.411 64 H ILE 9 H ILE 9 88.223 -3.075 5.280 65 HA ILE 9 HA ILE 9 89.589 -1.439 7.190 66 HB ILE 9 HB ILE 9 86.973 -1.002 5.706 67 1HG1 ILE 9 1HG1 ILE 9 89.801 -0.271 4.883 68 2HG1 ILE 9 2HG1 ILE 9 88.935 -1.682 4.277 69 1HG2 ILE 9 1HG2 ILE 9 88.971 0.893 6.970 70 2HG2 ILE 9 2HG2 ILE 9 87.715 1.412 5.846 71 3HG2 ILE 9 3HG2 ILE 9 87.272 0.694 7.396 72 1HD1 ILE 9 1HD1 ILE 9 87.073 0.247 3.844 73 2HD1 ILE 9 2HD1 ILE 9 88.552 1.185 3.637 74 3HD1 ILE 9 3HD1 ILE 9 88.264 -0.240 2.639 75 H LYS 10 H LYS 10 86.487 -3.122 7.246 76 HA LYS 10 HA LYS 10 85.487 -1.866 9.664 77 1HB LYS 10 1HB LYS 10 84.838 -4.186 7.883 78 2HB LYS 10 2HB LYS 10 84.084 -4.131 9.477 79 1HG LYS 10 1HG LYS 10 83.469 -1.687 8.884 80 2HG LYS 10 2HG LYS 10 83.845 -2.141 7.221 81 1HD LYS 10 1HD LYS 10 82.006 -3.867 8.860 82 2HD LYS 10 2HD LYS 10 81.385 -2.407 8.092 83 1HE LYS 10 1HE LYS 10 82.401 -3.266 5.909 84 2HE LYS 10 2HE LYS 10 82.642 -4.813 6.745 85 1HZ LYS 10 1HZ LYS 10 80.050 -3.374 6.724 86 2HZ LYS 10 2HZ LYS 10 80.445 -4.567 5.581 87 3HZ LYS 10 3HZ LYS 10 80.347 -4.965 7.231 88 H CYS 11 H CYS 11 87.641 -4.539 8.983 89 HA CYS 11 HA CYS 11 87.381 -5.920 11.478 90 1HB CYS 11 1HB CYS 11 88.301 -6.942 9.470 91 2HB CYS 11 2HB CYS 11 89.581 -5.734 9.405 92 H LYS 12 H LYS 12 89.958 -3.777 10.252 93 HA LYS 12 HA LYS 12 91.372 -3.534 12.725 94 1HB LYS 12 1HB LYS 12 91.123 -1.775 10.268 95 2HB LYS 12 2HB LYS 12 92.308 -1.491 11.542 96 1HG LYS 12 1HG LYS 12 92.055 -4.025 9.893 97 2HG LYS 12 2HG LYS 12 93.310 -2.798 9.713 98 1HD LYS 12 1HD LYS 12 92.820 -4.572 12.123 99 2HD LYS 12 2HD LYS 12 94.226 -4.584 11.058 100 1HE LYS 12 1HE LYS 12 94.374 -2.023 11.783 101 2HE LYS 12 2HE LYS 12 93.501 -2.627 13.204 102 1HZ LYS 12 1HZ LYS 12 95.647 -4.329 12.264 103 2HZ LYS 12 2HZ LYS 12 96.157 -2.833 12.889 104 3HZ LYS 12 3HZ LYS 12 95.231 -3.887 13.848 105 H ILE 13 H ILE 13 88.667 -1.676 11.363 106 HA ILE 13 HA ILE 13 88.464 -0.224 13.983 107 HB ILE 13 HB ILE 13 87.820 0.821 11.207 108 1HG1 ILE 13 1HG1 ILE 13 90.120 1.865 12.791 109 2HG1 ILE 13 2HG1 ILE 13 90.331 0.288 12.029 110 1HG2 ILE 13 1HG2 ILE 13 87.516 1.829 13.967 111 2HG2 ILE 13 2HG2 ILE 13 88.258 2.970 12.845 112 3HG2 ILE 13 3HG2 ILE 13 86.665 2.300 12.496 113 1HD1 ILE 13 1HD1 ILE 13 89.058 2.108 10.186 114 2HD1 ILE 13 2HD1 ILE 13 90.553 2.816 10.797 115 3HD1 ILE 13 3HD1 ILE 13 90.582 1.240 10.008 116 HA PRO 14 HA PRO 14 84.511 -2.391 13.171 117 1HB PRO 14 1HB PRO 14 84.124 -3.203 15.750 118 2HB PRO 14 2HB PRO 14 85.113 -4.112 14.592 119 1HG PRO 14 1HG PRO 14 85.954 -2.349 16.818 120 2HG PRO 14 2HG PRO 14 86.727 -3.801 16.170 121 1HD PRO 14 1HD PRO 14 87.520 -1.197 15.646 122 2HD PRO 14 2HD PRO 14 87.944 -2.617 14.668 123 H SER 15 H SER 15 85.408 -0.243 15.865 124 HA SER 15 HA SER 15 82.779 0.560 16.638 125 1HB SER 15 1HB SER 15 83.944 2.088 17.955 126 2HB SER 15 2HB SER 15 85.215 0.916 17.614 127 HG SER 15 HG SER 15 85.509 2.378 15.650 128 H SER 16 H SER 16 84.857 1.596 13.983 129 HA SER 16 HA SER 16 82.810 3.660 13.241 130 1HB SER 16 1HB SER 16 85.617 3.727 13.562 131 2HB SER 16 2HB SER 16 85.328 3.826 11.827 132 HG SER 16 HG SER 16 84.306 5.687 12.089 133 H GLU 17 H GLU 17 81.551 3.065 11.524 134 HA GLU 17 HA GLU 17 82.339 0.805 9.803 135 1HB GLU 17 1HB GLU 17 79.925 2.543 10.257 136 2HB GLU 17 2HB GLU 17 80.011 1.542 8.808 137 1HG GLU 17 1HG GLU 17 79.222 -0.145 10.087 138 2HG GLU 17 2HG GLU 17 80.820 -0.183 10.833 139 HA PRO 18 HA PRO 18 83.976 3.329 6.590 140 1HB PRO 18 1HB PRO 18 83.607 1.641 4.470 141 2HB PRO 18 2HB PRO 18 84.851 1.377 5.708 142 1HG PRO 18 1HG PRO 18 82.187 0.091 5.397 143 2HG PRO 18 2HG PRO 18 83.728 -0.613 5.913 144 1HD PRO 18 1HD PRO 18 81.721 0.077 7.637 145 2HD PRO 18 2HD PRO 18 83.440 0.029 8.089 146 H LEU 19 H LEU 19 81.042 1.579 5.473 147 HA LEU 19 HA LEU 19 80.200 3.476 3.546 148 1HB LEU 19 1HB LEU 19 78.699 1.536 5.330 149 2HB LEU 19 2HB LEU 19 77.957 2.373 3.964 150 HG LEU 19 HG LEU 19 80.527 0.955 3.449 151 1HD1 LEU 19 1HD1 LEU 19 78.225 -0.353 4.614 152 2HD1 LEU 19 2HD1 LEU 19 78.483 -0.932 2.968 153 3HD1 LEU 19 3HD1 LEU 19 79.780 -1.048 4.158 154 1HD2 LEU 19 1HD2 LEU 19 78.001 1.690 2.012 155 2HD2 LEU 19 2HD2 LEU 19 79.677 1.933 1.521 156 3HD2 LEU 19 3HD2 LEU 19 78.948 0.331 1.409 157 H LEU 20 H LEU 20 80.101 3.619 7.009 158 HA LEU 20 HA LEU 20 78.200 5.932 6.908 159 1HB LEU 20 1HB LEU 20 79.153 4.249 9.248 160 2HB LEU 20 2HB LEU 20 77.823 5.407 9.260 161 HG LEU 20 HG LEU 20 77.917 2.941 7.501 162 1HD1 LEU 20 1HD1 LEU 20 77.604 2.921 10.214 163 2HD1 LEU 20 2HD1 LEU 20 75.936 3.145 9.686 164 3HD1 LEU 20 3HD1 LEU 20 76.858 1.748 9.129 165 1HD2 LEU 20 1HD2 LEU 20 76.435 5.270 7.252 166 2HD2 LEU 20 2HD2 LEU 20 75.994 3.704 6.572 167 3HD2 LEU 20 3HD2 LEU 20 75.343 4.200 8.134 168 H ASP 21 H ASP 21 81.380 5.590 6.601 169 HA ASP 21 HA ASP 21 81.956 8.115 8.051 170 1HB ASP 21 1HB ASP 21 82.338 5.968 9.470 171 2HB ASP 21 2HB ASP 21 83.735 5.708 8.425 172 H PHE 22 H PHE 22 83.821 5.487 6.465 173 HA PHE 22 HA PHE 22 85.450 7.458 5.016 174 1HB PHE 22 1HB PHE 22 85.305 4.427 4.913 175 2HB PHE 22 2HB PHE 22 86.606 5.416 4.251 176 HD1 PHE 22 HD1 PHE 22 87.103 7.438 6.245 177 HD2 PHE 22 HD2 PHE 22 86.106 3.297 6.797 178 HE1 PHE 22 HE1 PHE 22 88.207 7.468 8.467 179 HE2 PHE 22 HE2 PHE 22 87.209 3.327 9.017 180 HZ PHE 22 HZ PHE 22 88.259 5.412 9.853 181 H ASN 23 H ASN 23 82.812 7.826 4.216 182 HA ASN 23 HA ASN 23 82.669 6.492 1.532 183 1HB ASN 23 1HB ASN 23 80.847 6.175 3.302 184 2HB ASN 23 2HB ASN 23 80.459 7.880 3.069 185 1HD2 ASN 23 2HD2 ASN 23 81.030 4.955 1.017 186 2HD2 ASN 23 1HD2 ASN 23 79.787 5.309 -0.081 187 H ASN 24 H ASN 24 83.184 7.845 -0.144 188 HA ASN 24 HA ASN 24 83.563 9.845 -1.350 189 1HB ASN 24 1HB ASN 24 81.041 9.656 -1.052 190 2HB ASN 24 2HB ASN 24 81.197 10.778 0.299 191 1HD2 ASN 24 2HD2 ASN 24 79.667 11.864 -1.592 192 2HD2 ASN 24 1HD2 ASN 24 80.511 12.954 -2.583 193 H TYR 25 H TYR 25 85.407 9.780 0.577 194 HA TYR 25 HA TYR 25 85.285 12.477 1.895 195 1HB TYR 25 1HB TYR 25 85.119 10.778 3.573 196 2HB TYR 25 2HB TYR 25 86.352 9.789 2.793 197 HD1 TYR 25 HD1 TYR 25 88.738 10.738 2.637 198 HD2 TYR 25 HD2 TYR 25 85.710 12.363 5.215 199 HE1 TYR 25 HE1 TYR 25 90.490 11.854 3.993 200 HE2 TYR 25 HE2 TYR 25 87.461 13.480 6.570 201 HH TYR 25 HH TYR 25 89.713 14.203 6.424 202 H GLY 26 H GLY 26 87.483 13.475 2.160 203 1HA GLY 26 1HA GLY 26 89.442 14.240 1.081 204 2HA GLY 26 2HA GLY 26 89.896 12.539 1.153 205 H CYS 27 H CYS 27 90.988 13.161 -0.937 206 HA CYS 27 HA CYS 27 89.117 13.360 -3.249 207 1HB CYS 27 1HB CYS 27 91.746 14.314 -2.532 208 2HB CYS 27 2HB CYS 27 91.834 13.414 -4.046 209 H TYR 28 H TYR 28 90.764 10.948 -1.515 210 HA TYR 28 HA TYR 28 90.820 9.193 -3.948 211 1HB TYR 28 1HB TYR 28 92.618 9.391 -1.524 212 2HB TYR 28 2HB TYR 28 92.664 8.012 -2.623 213 HD1 TYR 28 HD1 TYR 28 92.778 8.650 -5.201 214 HD2 TYR 28 HD2 TYR 28 94.002 11.214 -1.980 215 HE1 TYR 28 HE1 TYR 28 94.194 9.945 -6.772 216 HE2 TYR 28 HE2 TYR 28 95.421 12.509 -3.550 217 HH TYR 28 HH TYR 28 95.209 12.120 -6.966 218 H CYS 29 H CYS 29 89.846 9.512 -0.576 219 HA CYS 29 HA CYS 29 89.229 6.748 -0.072 220 1HB CYS 29 1HB CYS 29 88.045 9.323 1.018 221 2HB CYS 29 2HB CYS 29 87.862 7.734 1.756 222 H GLY 30 H GLY 30 87.935 5.722 -1.609 223 1HA GLY 30 1HA GLY 30 85.573 5.179 -2.075 224 2HA GLY 30 2HA GLY 30 85.226 6.908 -2.036 225 H LEU 31 H LEU 31 88.102 6.742 -3.578 226 HA LEU 31 HA LEU 31 88.711 6.970 -5.852 227 1HB LEU 31 1HB LEU 31 86.895 4.682 -5.518 228 2HB LEU 31 2HB LEU 31 86.927 5.309 -7.167 229 HG LEU 31 HG LEU 31 89.603 5.190 -6.041 230 1HD1 LEU 31 1HD1 LEU 31 88.165 3.216 -4.944 231 2HD1 LEU 31 2HD1 LEU 31 88.481 2.462 -6.507 232 3HD1 LEU 31 3HD1 LEU 31 89.825 2.962 -5.481 233 1HD2 LEU 31 1HD2 LEU 31 88.106 4.265 -8.468 234 2HD2 LEU 31 2HD2 LEU 31 89.523 5.311 -8.359 235 3HD2 LEU 31 3HD2 LEU 31 89.696 3.569 -8.145 236 H GLY 32 H GLY 32 87.027 9.020 -4.944 237 1HA GLY 32 1HA GLY 32 85.308 9.473 -7.349 238 2HA GLY 32 2HA GLY 32 84.765 9.939 -5.737 239 H GLY 33 H GLY 33 88.121 10.329 -6.187 240 1HA GLY 33 1HA GLY 33 87.774 13.189 -6.964 241 2HA GLY 33 2HA GLY 33 88.707 12.781 -5.523 242 H SER 34 H SER 34 90.563 13.806 -6.612 243 HA SER 34 HA SER 34 92.376 11.972 -7.787 244 1HB SER 34 1HB SER 34 91.163 11.768 -9.752 245 2HB SER 34 2HB SER 34 90.472 13.382 -9.611 246 HG SER 34 HG SER 34 93.211 12.859 -10.144 247 H GLY 35 H GLY 35 93.549 13.361 -6.199 248 1HA GLY 35 1HA GLY 35 95.325 15.171 -7.298 249 2HA GLY 35 2HA GLY 35 93.971 16.174 -6.779 250 H THR 36 H THR 36 95.991 16.925 -5.405 251 HA THR 36 HA THR 36 97.159 15.549 -3.308 252 HB THR 36 HB THR 36 95.991 18.339 -3.470 253 HG1 THR 36 HG1 THR 36 98.344 18.723 -3.617 254 1HG2 THR 36 1HG2 THR 36 96.891 16.968 -1.143 255 2HG2 THR 36 2HG2 THR 36 98.128 18.148 -1.576 256 3HG2 THR 36 3HG2 THR 36 96.467 18.672 -1.302 257 HA PRO 37 HA PRO 37 93.730 14.201 -0.852 258 1HB PRO 37 1HB PRO 37 95.163 13.443 1.356 259 2HB PRO 37 2HB PRO 37 95.103 12.481 -0.134 260 1HG PRO 37 1HG PRO 37 97.223 14.327 0.840 261 2HG PRO 37 2HG PRO 37 97.375 12.773 0.005 262 1HD PRO 37 1HD PRO 37 97.687 15.181 -1.235 263 2HD PRO 37 2HD PRO 37 97.126 13.713 -2.068 264 H VAL 38 H VAL 38 93.312 14.532 1.782 265 HA VAL 38 HA VAL 38 93.700 17.472 2.248 266 HB VAL 38 HB VAL 38 91.480 17.359 3.332 267 1HG1 VAL 38 1HG1 VAL 38 92.057 16.881 0.550 268 2HG1 VAL 38 2HG1 VAL 38 90.541 16.087 0.981 269 3HG1 VAL 38 3HG1 VAL 38 90.741 17.817 1.258 270 1HG2 VAL 38 1HG2 VAL 38 91.584 14.443 2.490 271 2HG2 VAL 38 2HG2 VAL 38 91.619 15.039 4.149 272 3HG2 VAL 38 3HG2 VAL 38 90.172 15.258 3.164 273 H ASP 39 H ASP 39 93.361 14.295 3.860 274 HA ASP 39 HA ASP 39 94.966 15.401 6.139 275 1HB ASP 39 1HB ASP 39 92.309 15.017 6.266 276 2HB ASP 39 2HB ASP 39 92.833 13.374 6.638 277 H ASP 40 H ASP 40 95.855 13.515 7.507 278 HA ASP 40 HA ASP 40 97.482 11.791 5.990 279 1HB ASP 40 1HB ASP 40 96.336 11.324 8.764 280 2HB ASP 40 2HB ASP 40 97.849 10.673 8.132 281 H LEU 41 H LEU 41 94.177 11.296 7.187 282 HA LEU 41 HA LEU 41 93.999 8.485 6.637 283 1HB LEU 41 1HB LEU 41 92.443 9.906 8.020 284 2HB LEU 41 2HB LEU 41 91.831 10.606 6.519 285 HG LEU 41 HG LEU 41 91.498 8.095 5.814 286 1HD1 LEU 41 1HD1 LEU 41 92.695 7.381 7.978 287 2HD1 LEU 41 2HD1 LEU 41 91.201 7.823 8.805 288 3HD1 LEU 41 3HD1 LEU 41 91.190 6.551 7.583 289 1HD2 LEU 41 1HD2 LEU 41 89.830 10.056 6.710 290 2HD2 LEU 41 2HD2 LEU 41 89.279 8.461 6.197 291 3HD2 LEU 41 3HD2 LEU 41 89.530 8.800 7.909 292 H ASP 42 H ASP 42 93.087 11.349 4.687 293 HA ASP 42 HA ASP 42 92.110 10.003 2.401 294 1HB ASP 42 1HB ASP 42 92.072 12.473 2.961 295 2HB ASP 42 2HB ASP 42 93.770 12.543 2.491 296 H ARG 43 H ARG 43 95.425 10.844 3.352 297 HA ARG 43 HA ARG 43 96.822 10.114 1.004 298 1HB ARG 43 1HB ARG 43 97.351 10.164 3.961 299 2HB ARG 43 2HB ARG 43 98.574 9.481 2.887 300 1HG ARG 43 1HG ARG 43 97.585 11.938 1.764 301 2HG ARG 43 2HG ARG 43 98.093 12.219 3.430 302 1HD ARG 43 1HD ARG 43 99.916 12.442 1.641 303 2HD ARG 43 2HD ARG 43 100.300 11.362 2.986 304 HE ARG 43 HE ARG 43 98.993 9.807 1.058 305 1HH1 ARG 43 1HH1 ARG 43 102.003 10.153 2.209 306 2HH1 ARG 43 2HH1 ARG 43 102.850 9.887 0.722 307 1HH2 ARG 43 1HH2 ARG 43 100.006 10.112 -1.248 308 2HH2 ARG 43 2HH2 ARG 43 101.720 9.862 -1.234 309 H CYS 44 H CYS 44 95.583 8.140 3.672 310 HA CYS 44 HA CYS 44 96.800 5.678 2.989 311 1HB CYS 44 1HB CYS 44 94.119 6.297 4.265 312 2HB CYS 44 2HB CYS 44 94.963 4.754 4.381 313 H CYS 45 H CYS 45 93.693 7.114 1.998 314 HA CYS 45 HA CYS 45 92.739 4.913 0.441 315 1HB CYS 45 1HB CYS 45 92.327 7.912 0.179 316 2HB CYS 45 2HB CYS 45 91.301 6.684 -0.562 317 H GLN 46 H GLN 46 94.588 7.828 -0.488 318 HA GLN 46 HA GLN 46 94.849 7.295 -3.266 319 1HB GLN 46 1HB GLN 46 95.445 9.380 -1.974 320 2HB GLN 46 2HB GLN 46 96.877 8.539 -1.381 321 1HG GLN 46 1HG GLN 46 97.357 8.085 -3.908 322 2HG GLN 46 2HG GLN 46 96.234 9.415 -4.187 323 1HE2 GLN 46 2HE2 GLN 46 98.654 10.071 -5.042 324 2HE2 GLN 46 1HE2 GLN 46 99.502 11.039 -3.940 325 H THR 47 H THR 47 96.791 6.198 -0.498 326 HA THR 47 HA THR 47 98.872 4.918 -1.940 327 HB THR 47 HB THR 47 97.668 4.091 0.711 328 HG1 THR 47 HG1 THR 47 99.501 5.711 1.278 329 1HG2 THR 47 1HG2 THR 47 100.331 3.791 -0.644 330 2HG2 THR 47 2HG2 THR 47 100.251 3.847 1.117 331 3HG2 THR 47 3HG2 THR 47 99.387 2.587 0.235 332 H HIS 48 H HIS 48 95.636 3.813 -1.006 333 HA HIS 48 HA HIS 48 95.955 1.031 -1.570 334 1HB HIS 48 1HB HIS 48 94.055 2.237 -0.399 335 2HB HIS 48 2HB HIS 48 93.505 2.772 -1.987 336 HD1 HIS 48 HD1 HIS 48 91.391 1.359 -2.154 337 HD2 HIS 48 HD2 HIS 48 94.779 -0.914 -1.296 338 HE1 HIS 48 HE1 HIS 48 90.700 -1.068 -2.377 339 H ASP 49 H ASP 49 94.787 3.709 -3.617 340 HA ASP 49 HA ASP 49 94.414 2.223 -6.002 341 1HB ASP 49 1HB ASP 49 94.884 5.074 -5.211 342 2HB ASP 49 2HB ASP 49 94.937 4.663 -6.925 343 H ASN 50 H ASN 50 97.227 4.010 -4.756 344 HA ASN 50 HA ASN 50 98.968 3.630 -6.961 345 1HB ASN 50 1HB ASN 50 99.171 4.234 -4.038 346 2HB ASN 50 2HB ASN 50 100.656 3.859 -4.910 347 1HD2 ASN 50 2HD2 ASN 50 100.298 6.469 -3.899 348 2HD2 ASN 50 1HD2 ASN 50 100.051 7.543 -5.190 349 H CYS 51 H CYS 51 98.313 1.622 -4.105 350 HA CYS 51 HA CYS 51 100.402 -0.306 -4.526 351 1HB CYS 51 1HB CYS 51 98.890 0.198 -2.492 352 2HB CYS 51 2HB CYS 51 97.689 -0.816 -3.292 353 H TYR 52 H TYR 52 97.034 -0.116 -5.668 354 HA TYR 52 HA TYR 52 96.918 -2.728 -6.853 355 1HB TYR 52 1HB TYR 52 95.445 -0.130 -6.998 356 2HB TYR 52 2HB TYR 52 95.116 -1.327 -8.250 357 HD1 TYR 52 HD1 TYR 52 96.231 -2.674 -5.084 358 HD2 TYR 52 HD2 TYR 52 92.764 -1.385 -7.269 359 HE1 TYR 52 HE1 TYR 52 94.778 -3.924 -3.513 360 HE2 TYR 52 HE2 TYR 52 91.309 -2.635 -5.697 361 HH TYR 52 HH TYR 52 91.247 -4.042 -3.976 362 H LYS 53 H LYS 53 98.305 0.307 -7.921 363 HA LYS 53 HA LYS 53 98.473 -0.420 -10.753 364 1HB LYS 53 1HB LYS 53 100.278 1.555 -9.364 365 2HB LYS 53 2HB LYS 53 99.538 1.670 -10.959 366 1HG LYS 53 1HG LYS 53 97.456 1.513 -9.006 367 2HG LYS 53 2HG LYS 53 98.593 2.756 -8.512 368 1HD LYS 53 1HD LYS 53 97.983 2.786 -11.388 369 2HD LYS 53 2HD LYS 53 96.592 3.129 -10.357 370 1HE LYS 53 1HE LYS 53 97.699 4.982 -9.313 371 2HE LYS 53 2HE LYS 53 99.267 4.518 -10.004 372 1HZ LYS 53 1HZ LYS 53 96.858 5.255 -11.582 373 2HZ LYS 53 2HZ LYS 53 98.180 6.280 -11.300 374 3HZ LYS 53 3HZ LYS 53 98.385 4.859 -12.210 375 H GLN 54 H GLN 54 100.770 -0.118 -8.084 376 HA GLN 54 HA GLN 54 103.064 -1.168 -9.357 377 1HB GLN 54 1HB GLN 54 102.045 -1.040 -6.523 378 2HB GLN 54 2HB GLN 54 103.618 -1.751 -6.884 379 1HG GLN 54 1HG GLN 54 104.490 0.274 -7.689 380 2HG GLN 54 2HG GLN 54 102.889 0.962 -7.961 381 1HE2 GLN 54 2HE2 GLN 54 105.096 2.110 -6.300 382 2HE2 GLN 54 1HE2 GLN 54 104.461 2.266 -4.733 383 H ALA 55 H ALA 55 100.377 -2.788 -7.716 384 HA ALA 55 HA ALA 55 101.522 -5.432 -7.674 385 1HB ALA 55 1HB ALA 55 99.305 -4.126 -6.685 386 2HB ALA 55 2HB ALA 55 98.596 -5.176 -7.912 387 3HB ALA 55 3HB ALA 55 99.558 -5.870 -6.607 388 H LYS 56 H LYS 56 99.521 -3.683 -10.036 389 HA LYS 56 HA LYS 56 99.038 -5.942 -11.765 390 1HB LYS 56 1HB LYS 56 98.834 -2.960 -11.842 391 2HB LYS 56 2HB LYS 56 98.758 -3.822 -13.380 392 1HG LYS 56 1HG LYS 56 97.061 -5.363 -12.007 393 2HG LYS 56 2HG LYS 56 96.853 -3.876 -11.080 394 1HD LYS 56 1HD LYS 56 96.869 -3.252 -13.891 395 2HD LYS 56 2HD LYS 56 95.682 -4.520 -13.577 396 1HE LYS 56 1HE LYS 56 94.592 -2.354 -13.280 397 2HE LYS 56 2HE LYS 56 94.793 -3.093 -11.679 398 1HZ LYS 56 1HZ LYS 56 96.782 -1.269 -12.918 399 2HZ LYS 56 2HZ LYS 56 95.595 -0.752 -11.818 400 3HZ LYS 56 3HZ LYS 56 96.782 -1.858 -11.325 401 H LYS 57 H LYS 57 101.550 -3.418 -11.684 402 HA LYS 57 HA LYS 57 102.826 -4.047 -14.134 403 1HB LYS 57 1HB LYS 57 103.084 -2.249 -12.039 404 2HB LYS 57 2HB LYS 57 104.578 -3.186 -11.950 405 1HG LYS 57 1HG LYS 57 105.382 -2.283 -13.863 406 2HG LYS 57 2HG LYS 57 103.839 -2.474 -14.695 407 1HD LYS 57 1HD LYS 57 104.234 -0.117 -14.558 408 2HD LYS 57 2HD LYS 57 103.005 -0.481 -13.346 409 1HE LYS 57 1HE LYS 57 104.856 -0.642 -11.629 410 2HE LYS 57 2HE LYS 57 105.969 -0.029 -12.868 411 1HZ LYS 57 1HZ LYS 57 103.405 1.320 -12.273 412 2HZ LYS 57 2HZ LYS 57 104.819 1.690 -11.406 413 3HZ LYS 57 3HZ LYS 57 104.764 1.943 -13.082 414 H LEU 58 H LEU 58 103.099 -5.493 -10.920 415 HA LEU 58 HA LEU 58 105.463 -6.892 -10.959 416 1HB LEU 58 1HB LEU 58 102.777 -7.217 -9.869 417 2HB LEU 58 2HB LEU 58 103.570 -8.771 -10.126 418 HG LEU 58 HG LEU 58 105.630 -7.593 -9.000 419 1HD1 LEU 58 1HD1 LEU 58 103.273 -5.896 -8.147 420 2HD1 LEU 58 2HD1 LEU 58 104.765 -5.991 -7.212 421 3HD1 LEU 58 3HD1 LEU 58 104.793 -5.351 -8.856 422 1HD2 LEU 58 1HD2 LEU 58 103.165 -8.767 -7.770 423 2HD2 LEU 58 2HD2 LEU 58 104.808 -9.406 -7.808 424 3HD2 LEU 58 3HD2 LEU 58 104.394 -8.102 -6.695 425 H ASP 59 H ASP 59 106.322 -8.637 -12.086 426 HA ASP 59 HA ASP 59 105.607 -9.302 -14.686 427 1HB ASP 59 1HB ASP 59 107.572 -9.976 -13.014 428 2HB ASP 59 2HB ASP 59 106.615 -11.449 -12.853 429 H SER 60 H SER 60 104.745 -11.274 -11.807 430 HA SER 60 HA SER 60 103.132 -13.209 -12.909 431 1HB SER 60 1HB SER 60 102.665 -11.518 -10.435 432 2HB SER 60 2HB SER 60 101.868 -13.058 -10.747 433 HG SER 60 HG SER 60 104.468 -12.500 -9.992 434 H CYS 61 H CYS 61 102.246 -9.808 -12.363 435 HA CYS 61 HA CYS 61 99.483 -10.187 -13.253 436 1HB CYS 61 1HB CYS 61 101.286 -7.895 -12.490 437 2HB CYS 61 2HB CYS 61 99.697 -7.582 -13.189 438 H LYS 62 H LYS 62 102.475 -8.815 -14.633 439 HA LYS 62 HA LYS 62 101.430 -7.811 -17.068 440 1HB LYS 62 1HB LYS 62 103.689 -7.388 -16.268 441 2HB LYS 62 2HB LYS 62 104.082 -9.105 -16.362 442 1HG LYS 62 1HG LYS 62 103.348 -8.806 -18.888 443 2HG LYS 62 2HG LYS 62 103.747 -7.116 -18.575 444 1HD LYS 62 1HD LYS 62 105.848 -8.601 -17.435 445 2HD LYS 62 2HD LYS 62 105.532 -9.356 -18.998 446 1HE LYS 62 1HE LYS 62 105.407 -6.715 -19.689 447 2HE LYS 62 2HE LYS 62 106.630 -6.673 -18.403 448 1HZ LYS 62 1HZ LYS 62 107.570 -8.733 -19.530 449 2HZ LYS 62 2HZ LYS 62 106.620 -8.304 -20.872 450 3HZ LYS 62 3HZ LYS 62 107.824 -7.248 -20.314 451 H VAL 63 H VAL 63 101.893 -11.097 -16.013 452 HA VAL 63 HA VAL 63 101.662 -12.164 -18.781 453 HB VAL 63 HB VAL 63 102.125 -13.403 -16.049 454 1HG1 VAL 63 1HG1 VAL 63 101.694 -14.586 -18.768 455 2HG1 VAL 63 2HG1 VAL 63 102.867 -15.349 -17.695 456 3HG1 VAL 63 3HG1 VAL 63 101.184 -15.190 -17.191 457 1HG2 VAL 63 1HG2 VAL 63 103.824 -12.113 -17.972 458 2HG2 VAL 63 2HG2 VAL 63 104.274 -12.849 -16.434 459 3HG2 VAL 63 3HG2 VAL 63 104.246 -13.824 -17.903 460 H LEU 64 H LEU 64 100.137 -12.990 -15.640 461 HA LEU 64 HA LEU 64 97.812 -14.190 -16.826 462 1HB LEU 64 1HB LEU 64 98.276 -12.965 -14.085 463 2HB LEU 64 2HB LEU 64 96.998 -14.112 -14.491 464 HG LEU 64 HG LEU 64 99.698 -14.992 -15.274 465 1HD1 LEU 64 1HD1 LEU 64 99.492 -13.768 -12.772 466 2HD1 LEU 64 2HD1 LEU 64 99.312 -15.488 -12.427 467 3HD1 LEU 64 3HD1 LEU 64 100.743 -14.904 -13.276 468 1HD2 LEU 64 1HD2 LEU 64 97.282 -16.165 -15.036 469 2HD2 LEU 64 2HD2 LEU 64 98.790 -17.064 -14.861 470 3HD2 LEU 64 3HD2 LEU 64 97.921 -16.512 -13.429 471 H VAL 65 H VAL 65 98.706 -10.906 -16.409 472 HA VAL 65 HA VAL 65 97.499 -8.891 -16.605 473 HB VAL 65 HB VAL 65 96.589 -10.991 -18.458 474 1HG1 VAL 65 1HG1 VAL 65 95.165 -8.344 -18.142 475 2HG1 VAL 65 2HG1 VAL 65 95.156 -9.223 -19.670 476 3HG1 VAL 65 3HG1 VAL 65 94.454 -9.955 -18.228 477 1HG2 VAL 65 1HG2 VAL 65 98.658 -9.671 -18.805 478 2HG2 VAL 65 2HG2 VAL 65 97.517 -9.466 -20.135 479 3HG2 VAL 65 3HG2 VAL 65 97.684 -8.204 -18.913 480 H ASP 66 H ASP 66 96.647 -10.906 -14.615 481 HA ASP 66 HA ASP 66 93.860 -11.103 -14.274 482 1HB ASP 66 1HB ASP 66 95.441 -12.352 -12.941 483 2HB ASP 66 2HB ASP 66 96.151 -10.865 -12.309 484 H ASN 67 H ASN 67 92.614 -9.883 -12.496 485 HA ASN 67 HA ASN 67 93.278 -6.958 -12.609 486 1HB ASN 67 1HB ASN 67 90.694 -6.814 -12.416 487 2HB ASN 67 2HB ASN 67 91.366 -7.336 -13.959 488 1HD2 ASN 67 2HD2 ASN 67 89.608 -8.717 -14.583 489 2HD2 ASN 67 1HD2 ASN 67 89.203 -10.126 -13.729 490 HA PRO 68 HA PRO 68 93.301 -7.310 -8.205 491 1HB PRO 68 1HB PRO 68 93.271 -4.636 -7.626 492 2HB PRO 68 2HB PRO 68 94.714 -5.479 -8.225 493 1HG PRO 68 1HG PRO 68 92.791 -3.745 -9.687 494 2HG PRO 68 2HG PRO 68 94.547 -3.888 -9.865 495 1HD PRO 68 1HD PRO 68 92.734 -5.044 -11.562 496 2HD PRO 68 2HD PRO 68 94.385 -5.651 -11.304 497 H TYR 69 H TYR 69 90.970 -5.164 -9.821 498 HA TYR 69 HA TYR 69 89.178 -4.676 -7.697 499 1HB TYR 69 1HB TYR 69 89.238 -4.639 -10.622 500 2HB TYR 69 2HB TYR 69 87.627 -4.981 -9.989 501 HD1 TYR 69 HD1 TYR 69 90.301 -2.940 -8.372 502 HD2 TYR 69 HD2 TYR 69 86.494 -2.912 -10.363 503 HE1 TYR 69 HE1 TYR 69 90.016 -0.545 -7.795 504 HE2 TYR 69 HE2 TYR 69 86.209 -0.517 -9.784 505 HH TYR 69 HH TYR 69 87.732 1.432 -9.238 506 H THR 70 H THR 70 88.295 -6.967 -10.276 507 HA THR 70 HA THR 70 86.452 -8.432 -8.715 508 HB THR 70 HB THR 70 86.825 -10.133 -10.599 509 HG1 THR 70 HG1 THR 70 89.077 -9.155 -10.795 510 1HG2 THR 70 1HG2 THR 70 86.162 -7.229 -11.020 511 2HG2 THR 70 2HG2 THR 70 86.120 -8.360 -12.372 512 3HG2 THR 70 3HG2 THR 70 85.076 -8.617 -10.974 513 H ASN 71 H ASN 71 89.876 -8.470 -8.633 514 HA ASN 71 HA ASN 71 90.720 -11.048 -8.158 515 1HB ASN 71 1HB ASN 71 91.978 -8.852 -7.944 516 2HB ASN 71 2HB ASN 71 91.303 -8.706 -6.321 517 1HD2 ASN 71 2HD2 ASN 71 93.963 -9.919 -8.031 518 2HD2 ASN 71 1HD2 ASN 71 94.537 -11.008 -6.863 519 H ASN 72 H ASN 72 90.305 -12.642 -6.643 520 HA ASN 72 HA ASN 72 88.538 -11.909 -4.328 521 1HB ASN 72 1HB ASN 72 88.638 -14.525 -5.856 522 2HB ASN 72 2HB ASN 72 87.414 -14.016 -4.692 523 1HD2 ASN 72 2HD2 ASN 72 85.766 -12.539 -5.412 524 2HD2 ASN 72 1HD2 ASN 72 85.605 -12.074 -7.037 525 H TYR 73 H TYR 73 90.912 -11.654 -3.405 526 HA TYR 73 HA TYR 73 92.374 -14.122 -2.866 527 1HB TYR 73 1HB TYR 73 93.683 -12.551 -1.393 528 2HB TYR 73 2HB TYR 73 93.504 -11.977 -3.049 529 HD1 TYR 73 HD1 TYR 73 92.072 -11.679 0.381 530 HD2 TYR 73 HD2 TYR 73 92.428 -9.923 -3.522 531 HE1 TYR 73 HE1 TYR 73 90.994 -9.607 1.215 532 HE2 TYR 73 HE2 TYR 73 91.352 -7.850 -2.688 533 HH TYR 73 HH TYR 73 91.203 -6.819 0.010 534 H SER 74 H SER 74 92.512 -15.173 -0.786 535 HA SER 74 HA SER 74 90.026 -14.952 0.811 536 1HB SER 74 1HB SER 74 91.886 -16.970 0.008 537 2HB SER 74 2HB SER 74 91.865 -16.923 1.768 538 HG SER 74 HG SER 74 89.545 -17.004 1.599 539 H TYR 75 H TYR 75 89.990 -14.279 2.959 540 HA TYR 75 HA TYR 75 92.494 -13.890 4.458 541 1HB TYR 75 1HB TYR 75 92.451 -11.535 4.467 542 2HB TYR 75 2HB TYR 75 92.011 -11.923 2.805 543 HD1 TYR 75 HD1 TYR 75 89.698 -11.635 2.006 544 HD2 TYR 75 HD2 TYR 75 90.783 -10.690 6.054 545 HE1 TYR 75 HE1 TYR 75 87.557 -10.417 2.298 546 HE2 TYR 75 HE2 TYR 75 88.641 -9.473 6.344 547 HH TYR 75 HH TYR 75 86.217 -9.699 5.096 548 H SER 76 H SER 76 91.918 -12.852 6.671 549 HA SER 76 HA SER 76 89.111 -13.396 7.511 550 1HB SER 76 1HB SER 76 91.484 -15.009 8.012 551 2HB SER 76 2HB SER 76 90.747 -14.471 9.520 552 HG SER 76 HG SER 76 88.931 -15.527 9.021 553 H CYS 77 H CYS 77 89.088 -12.829 10.064 554 HA CYS 77 HA CYS 77 90.856 -10.474 10.573 555 1HB CYS 77 1HB CYS 77 88.864 -9.576 9.588 556 2HB CYS 77 2HB CYS 77 87.839 -10.603 10.579 557 H SER 78 H SER 78 90.698 -9.779 12.846 558 HA SER 78 HA SER 78 89.418 -11.061 14.982 559 1HB SER 78 1HB SER 78 90.220 -13.185 14.592 560 2HB SER 78 2HB SER 78 91.640 -12.597 13.732 561 HG SER 78 HG SER 78 92.705 -12.650 15.540 562 H ASN 79 H ASN 79 90.289 -10.401 17.036 563 HA ASN 79 HA ASN 79 91.339 -8.732 18.365 564 1HB ASN 79 1HB ASN 79 93.533 -10.203 16.881 565 2HB ASN 79 2HB ASN 79 93.857 -9.116 18.232 566 1HD2 ASN 79 2HD2 ASN 79 94.682 -11.432 19.042 567 2HD2 ASN 79 1HD2 ASN 79 93.540 -12.331 19.921 568 H ASN 80 H ASN 80 90.306 -7.399 16.217 569 HA ASN 80 HA ASN 80 90.591 -5.587 14.763 570 1HB ASN 80 1HB ASN 80 92.727 -4.866 16.758 571 2HB ASN 80 2HB ASN 80 91.609 -3.804 15.931 572 1HD2 ASN 80 2HD2 ASN 80 89.397 -5.776 16.421 573 2HD2 ASN 80 1HD2 ASN 80 89.013 -5.536 18.037 574 H GLU 81 H GLU 81 92.041 -7.863 13.998 575 HA GLU 81 HA GLU 81 94.364 -6.600 12.668 576 1HB GLU 81 1HB GLU 81 94.197 -9.212 14.163 577 2HB GLU 81 2HB GLU 81 95.493 -8.877 13.011 578 1HG GLU 81 1HG GLU 81 95.289 -6.582 14.640 579 2HG GLU 81 2HG GLU 81 95.212 -7.963 15.728 580 H ILE 82 H ILE 82 94.964 -7.692 10.644 581 HA ILE 82 HA ILE 82 92.587 -8.997 9.372 582 HB ILE 82 HB ILE 82 94.943 -7.421 8.298 583 1HG1 ILE 82 1HG1 ILE 82 91.974 -6.810 8.253 584 2HG1 ILE 82 2HG1 ILE 82 93.072 -6.201 9.492 585 1HG2 ILE 82 1HG2 ILE 82 93.129 -9.291 6.991 586 2HG2 ILE 82 2HG2 ILE 82 93.003 -7.673 6.302 587 3HG2 ILE 82 3HG2 ILE 82 94.564 -8.492 6.347 588 1HD1 ILE 82 1HD1 ILE 82 94.489 -5.267 7.584 589 2HD1 ILE 82 2HD1 ILE 82 93.128 -5.628 6.523 590 3HD1 ILE 82 3HD1 ILE 82 92.934 -4.477 7.844 591 H THR 83 H THR 83 92.798 -11.007 8.442 592 HA THR 83 HA THR 83 95.485 -12.326 8.624 593 HB THR 83 HB THR 83 92.633 -13.163 9.062 594 HG1 THR 83 HG1 THR 83 95.123 -13.434 10.353 595 1HG2 THR 83 1HG2 THR 83 94.894 -15.051 8.342 596 2HG2 THR 83 2HG2 THR 83 93.315 -15.542 8.957 597 3HG2 THR 83 3HG2 THR 83 93.445 -14.760 7.382 598 H CYS 84 H CYS 84 96.375 -12.335 6.571 599 HA CYS 84 HA CYS 84 94.554 -12.743 4.233 600 1HB CYS 84 1HB CYS 84 97.065 -11.296 4.811 601 2HB CYS 84 2HB CYS 84 97.037 -12.114 3.249 602 H SER 85 H SER 85 94.571 -14.737 3.281 603 HA SER 85 HA SER 85 96.125 -16.938 4.201 604 1HB SER 85 1HB SER 85 94.387 -17.784 3.017 605 2HB SER 85 2HB SER 85 94.171 -16.271 2.141 606 HG SER 85 HG SER 85 95.703 -16.917 0.679 607 H SER 86 H SER 86 98.164 -17.643 3.640 608 HA SER 86 HA SER 86 99.905 -15.951 2.050 609 1HB SER 86 1HB SER 86 101.568 -17.467 2.790 610 2HB SER 86 2HB SER 86 100.369 -17.505 4.080 611 HG SER 86 HG SER 86 100.870 -19.607 3.510 612 H GLU 87 H GLU 87 97.767 -18.554 1.302 613 HA GLU 87 HA GLU 87 99.022 -19.810 -0.899 614 1HB GLU 87 1HB GLU 87 96.189 -19.147 -0.113 615 2HB GLU 87 2HB GLU 87 96.518 -19.992 -1.625 616 1HG GLU 87 1HG GLU 87 97.874 -21.019 0.821 617 2HG GLU 87 2HG GLU 87 96.139 -21.309 0.684 618 H ASN 88 H ASN 88 97.535 -16.653 -0.614 619 HA ASN 88 HA ASN 88 96.860 -15.871 -3.155 620 1HB ASN 88 1HB ASN 88 98.572 -14.427 -1.109 621 2HB ASN 88 2HB ASN 88 97.746 -13.632 -2.450 622 1HD2 ASN 88 2HD2 ASN 88 96.781 -12.592 -0.249 623 2HD2 ASN 88 1HD2 ASN 88 95.339 -13.307 0.287 624 H ASN 89 H ASN 89 97.901 -16.183 -5.078 625 HA ASN 89 HA ASN 89 100.546 -17.016 -5.471 626 1HB ASN 89 1HB ASN 89 98.314 -16.051 -6.982 627 2HB ASN 89 2HB ASN 89 99.813 -15.447 -7.671 628 1HD2 ASN 89 2HD2 ASN 89 100.272 -16.843 -9.394 629 2HD2 ASN 89 1HD2 ASN 89 100.290 -18.536 -9.280 630 H ALA 90 H ALA 90 101.896 -15.365 -7.137 631 HA ALA 90 HA ALA 90 103.258 -13.552 -5.453 632 1HB ALA 90 1HB ALA 90 103.681 -14.689 -7.852 633 2HB ALA 90 2HB ALA 90 103.179 -13.089 -8.395 634 3HB ALA 90 3HB ALA 90 104.571 -13.259 -7.325 635 H CYS 91 H CYS 91 101.051 -12.758 -8.170 636 HA CYS 91 HA CYS 91 100.879 -9.956 -7.467 637 1HB CYS 91 1HB CYS 91 99.704 -11.888 -9.387 638 2HB CYS 91 2HB CYS 91 98.721 -10.462 -9.050 639 H GLU 92 H GLU 92 98.800 -12.787 -6.857 640 HA GLU 92 HA GLU 92 96.584 -11.415 -5.705 641 1HB GLU 92 1HB GLU 92 97.810 -14.155 -5.275 642 2HB GLU 92 2HB GLU 92 96.248 -13.682 -4.604 643 1HG GLU 92 1HG GLU 92 95.523 -13.086 -6.951 644 2HG GLU 92 2HG GLU 92 97.016 -13.826 -7.529 645 H ALA 93 H ALA 93 99.624 -12.595 -4.280 646 HA ALA 93 HA ALA 93 98.985 -12.035 -1.539 647 1HB ALA 93 1HB ALA 93 101.513 -12.293 -3.176 648 2HB ALA 93 2HB ALA 93 101.573 -11.974 -1.442 649 3HB ALA 93 3HB ALA 93 100.826 -13.455 -2.041 650 H PHE 94 H PHE 94 100.486 -10.090 -4.114 651 HA PHE 94 HA PHE 94 101.210 -7.814 -2.553 652 1HB PHE 94 1HB PHE 94 101.755 -8.492 -4.982 653 2HB PHE 94 2HB PHE 94 100.194 -7.791 -5.404 654 HD1 PHE 94 HD1 PHE 94 99.739 -5.360 -4.547 655 HD2 PHE 94 HD2 PHE 94 103.649 -7.114 -4.848 656 HE1 PHE 94 HE1 PHE 94 100.755 -3.097 -4.555 657 HE2 PHE 94 HE2 PHE 94 104.664 -4.851 -4.855 658 HZ PHE 94 HZ PHE 94 103.217 -2.842 -4.709 659 H ILE 95 H ILE 95 98.156 -8.776 -4.068 660 HA ILE 95 HA ILE 95 96.732 -6.316 -3.729 661 HB ILE 95 HB ILE 95 95.875 -9.226 -3.813 662 1HG1 ILE 95 1HG1 ILE 95 97.144 -8.256 -5.784 663 2HG1 ILE 95 2HG1 ILE 95 95.523 -8.837 -6.168 664 1HG2 ILE 95 1HG2 ILE 95 94.330 -6.659 -3.740 665 2HG2 ILE 95 2HG2 ILE 95 93.721 -7.987 -4.729 666 3HG2 ILE 95 3HG2 ILE 95 93.952 -8.213 -2.996 667 1HD1 ILE 95 1HD1 ILE 95 95.487 -6.059 -5.288 668 2HD1 ILE 95 2HD1 ILE 95 96.526 -6.283 -6.696 669 3HD1 ILE 95 3HD1 ILE 95 94.833 -6.773 -6.762 670 H CYS 96 H CYS 96 96.929 -9.233 -1.661 671 HA CYS 96 HA CYS 96 95.194 -8.391 0.416 672 1HB CYS 96 1HB CYS 96 97.061 -10.460 -0.162 673 2HB CYS 96 2HB CYS 96 97.468 -9.835 1.436 674 H ASN 97 H ASN 97 98.514 -7.504 -0.317 675 HA ASN 97 HA ASN 97 99.069 -6.244 2.247 676 1HB ASN 97 1HB ASN 97 100.297 -6.301 -0.510 677 2HB ASN 97 2HB ASN 97 100.961 -5.265 0.752 678 1HD2 ASN 97 2HD2 ASN 97 102.716 -7.135 -0.017 679 2HD2 ASN 97 1HD2 ASN 97 102.793 -8.427 1.075 680 H CYS 98 H CYS 98 97.783 -5.200 -0.878 681 HA CYS 98 HA CYS 98 97.934 -2.357 -0.386 682 1HB CYS 98 1HB CYS 98 96.104 -4.014 -2.155 683 2HB CYS 98 2HB CYS 98 96.417 -2.288 -2.334 684 H ASP 99 H ASP 99 95.260 -4.727 -0.097 685 HA ASP 99 HA ASP 99 93.372 -2.815 0.980 686 1HB ASP 99 1HB ASP 99 93.581 -5.835 0.881 687 2HB ASP 99 2HB ASP 99 92.177 -5.006 1.552 688 H ARG 100 H ARG 100 95.689 -5.088 2.402 689 HA ARG 100 HA ARG 100 94.784 -4.906 5.126 690 1HB ARG 100 1HB ARG 100 96.232 -6.685 4.390 691 2HB ARG 100 2HB ARG 100 97.425 -5.540 3.780 692 1HG ARG 100 1HG ARG 100 98.404 -6.074 5.805 693 2HG ARG 100 2HG ARG 100 97.409 -4.713 6.312 694 1HD ARG 100 1HD ARG 100 96.882 -6.382 7.907 695 2HD ARG 100 2HD ARG 100 95.568 -6.540 6.731 696 HE ARG 100 HE ARG 100 96.414 -8.713 6.433 697 1HH1 ARG 100 1HH1 ARG 100 98.872 -7.076 7.990 698 2HH1 ARG 100 2HH1 ARG 100 100.172 -7.940 7.238 699 1HH2 ARG 100 1HH2 ARG 100 98.124 -9.575 4.969 700 2HH2 ARG 100 2HH2 ARG 100 99.748 -9.356 5.528 701 H ASN 101 H ASN 101 97.712 -3.460 3.676 702 HA ASN 101 HA ASN 101 98.300 -1.633 5.749 703 1HB ASN 101 1HB ASN 101 98.857 -1.938 2.831 704 2HB ASN 101 2HB ASN 101 99.269 -0.395 3.573 705 1HD2 ASN 101 2HD2 ASN 101 101.443 -1.712 2.730 706 2HD2 ASN 101 1HD2 ASN 101 102.259 -2.475 4.003 707 H ALA 102 H ALA 102 95.843 -1.517 3.284 708 HA ALA 102 HA ALA 102 95.400 1.354 3.326 709 1HB ALA 102 1HB ALA 102 93.873 -1.089 2.411 710 2HB ALA 102 2HB ALA 102 93.205 0.534 2.241 711 3HB ALA 102 3HB ALA 102 94.706 0.106 1.419 712 H ALA 103 H ALA 103 93.531 -1.392 4.695 713 HA ALA 103 HA ALA 103 91.715 0.245 6.200 714 1HB ALA 103 1HB ALA 103 92.623 -2.615 6.151 715 2HB ALA 103 2HB ALA 103 91.611 -2.072 7.490 716 3HB ALA 103 3HB ALA 103 91.021 -1.950 5.833 717 H ILE 104 H ILE 104 94.854 -1.216 6.987 718 HA ILE 104 HA ILE 104 94.832 -0.629 9.802 719 HB ILE 104 HB ILE 104 97.021 -1.017 7.737 720 1HG1 ILE 104 1HG1 ILE 104 95.819 -2.856 9.832 721 2HG1 ILE 104 2HG1 ILE 104 95.530 -2.951 8.095 722 1HG2 ILE 104 1HG2 ILE 104 97.161 -0.199 10.534 723 2HG2 ILE 104 2HG2 ILE 104 98.011 -1.718 10.250 724 3HG2 ILE 104 3HG2 ILE 104 98.445 -0.280 9.328 725 1HD1 ILE 104 1HD1 ILE 104 98.045 -3.203 7.810 726 2HD1 ILE 104 2HD1 ILE 104 98.138 -3.411 9.559 727 3HD1 ILE 104 3HD1 ILE 104 97.233 -4.566 8.581 728 H CYS 105 H CYS 105 95.747 1.238 6.941 729 HA CYS 105 HA CYS 105 97.135 3.368 8.264 730 1HB CYS 105 1HB CYS 105 96.900 2.675 5.762 731 2HB CYS 105 2HB CYS 105 95.432 3.651 5.789 732 H PHE 106 H PHE 106 93.710 3.036 7.272 733 HA PHE 106 HA PHE 106 92.754 5.522 8.126 734 1HB PHE 106 1HB PHE 106 91.470 2.776 8.237 735 2HB PHE 106 2HB PHE 106 90.590 4.301 8.296 736 HD1 PHE 106 HD1 PHE 106 92.365 5.824 6.315 737 HD2 PHE 106 HD2 PHE 106 90.576 1.921 6.182 738 HE1 PHE 106 HE1 PHE 106 92.351 5.913 3.837 739 HE2 PHE 106 HE2 PHE 106 90.564 2.010 3.705 740 HZ PHE 106 HZ PHE 106 91.451 4.008 2.531 741 H SER 107 H SER 107 93.282 2.539 9.951 742 HA SER 107 HA SER 107 92.258 3.663 12.462 743 1HB SER 107 1HB SER 107 92.747 1.461 13.293 744 2HB SER 107 2HB SER 107 92.165 1.249 11.643 745 HG SER 107 HG SER 107 94.466 1.334 11.054 746 H LYS 108 H LYS 108 95.147 4.029 10.764 747 HA LYS 108 HA LYS 108 96.826 4.235 13.219 748 1HB LYS 108 1HB LYS 108 97.277 4.088 10.244 749 2HB LYS 108 2HB LYS 108 98.566 4.657 11.306 750 1HG LYS 108 1HG LYS 108 97.273 2.232 12.311 751 2HG LYS 108 2HG LYS 108 98.009 2.001 10.725 752 1HD LYS 108 1HD LYS 108 100.153 2.527 11.495 753 2HD LYS 108 2HD LYS 108 99.540 3.430 12.881 754 1HE LYS 108 1HE LYS 108 98.646 1.221 13.789 755 2HE LYS 108 2HE LYS 108 99.592 0.419 12.517 756 1HZ LYS 108 1HZ LYS 108 100.942 2.506 14.036 757 2HZ LYS 108 2HZ LYS 108 100.630 1.063 14.871 758 3HZ LYS 108 3HZ LYS 108 101.546 1.034 13.440 759 H VAL 109 H VAL 109 94.868 6.188 11.283 760 HA VAL 109 HA VAL 109 96.319 8.646 12.207 761 HB VAL 109 HB VAL 109 95.925 9.626 10.043 762 1HG1 VAL 109 1HG1 VAL 109 97.697 7.708 10.364 763 2HG1 VAL 109 2HG1 VAL 109 96.635 6.810 9.280 764 3HG1 VAL 109 3HG1 VAL 109 97.363 8.326 8.747 765 1HG2 VAL 109 1HG2 VAL 109 93.777 7.716 9.994 766 2HG2 VAL 109 2HG2 VAL 109 94.057 9.079 8.910 767 3HG2 VAL 109 3HG2 VAL 109 94.763 7.504 8.547 768 HA PRO 110 HA PRO 110 92.410 10.007 13.671 769 1HB PRO 110 1HB PRO 110 92.455 12.680 13.085 770 2HB PRO 110 2HB PRO 110 93.438 11.956 14.374 771 1HG PRO 110 1HG PRO 110 94.224 12.755 11.617 772 2HG PRO 110 2HG PRO 110 95.120 12.911 13.136 773 1HD PRO 110 1HD PRO 110 95.610 10.959 11.301 774 2HD PRO 110 2HD PRO 110 95.913 10.764 13.041 775 H TYR 111 H TYR 111 90.383 11.341 12.903 776 HA TYR 111 HA TYR 111 90.039 11.116 9.938 777 1HB TYR 111 1HB TYR 111 89.105 9.105 10.773 778 2HB TYR 111 2HB TYR 111 88.448 9.905 12.200 779 HD1 TYR 111 HD1 TYR 111 88.239 10.261 8.460 780 HD2 TYR 111 HD2 TYR 111 86.155 10.260 12.217 781 HE1 TYR 111 HE1 TYR 111 86.096 10.637 7.271 782 HE2 TYR 111 HE2 TYR 111 84.011 10.635 11.028 783 HH TYR 111 HH TYR 111 83.546 11.812 8.409 784 H ASN 112 H ASN 112 89.813 13.320 9.517 785 HA ASN 112 HA ASN 112 88.267 15.074 11.294 786 1HB ASN 112 1HB ASN 112 89.856 15.274 8.754 787 2HB ASN 112 2HB ASN 112 88.776 16.600 9.189 788 1HD2 ASN 112 2HD2 ASN 112 91.641 14.781 10.268 789 2HD2 ASN 112 1HD2 ASN 112 92.154 15.935 11.401 790 H LYS 113 H LYS 113 86.065 14.656 11.242 791 HA LYS 113 HA LYS 113 84.577 13.638 9.044 792 1HB LYS 113 1HB LYS 113 84.187 14.348 11.701 793 2HB LYS 113 2HB LYS 113 83.148 15.475 10.827 794 1HG LYS 113 1HG LYS 113 82.563 13.204 9.488 795 2HG LYS 113 2HG LYS 113 82.956 12.520 11.065 796 1HD LYS 113 1HD LYS 113 81.399 14.708 11.723 797 2HD LYS 113 2HD LYS 113 80.631 14.112 10.251 798 1HE LYS 113 1HE LYS 113 81.386 11.955 12.104 799 2HE LYS 113 2HE LYS 113 80.183 13.075 12.772 800 1HZ LYS 113 1HZ LYS 113 80.025 11.923 10.040 801 2HZ LYS 113 2HZ LYS 113 79.219 11.263 11.379 802 3HZ LYS 113 3HZ LYS 113 78.833 12.830 10.845 803 H GLU 114 H GLU 114 85.512 16.942 9.876 804 HA GLU 114 HA GLU 114 83.716 18.337 8.174 805 1HB GLU 114 1HB GLU 114 85.373 20.157 8.449 806 2HB GLU 114 2HB GLU 114 85.079 19.329 9.979 807 1HG GLU 114 1HG GLU 114 87.092 17.893 9.505 808 2HG GLU 114 2HG GLU 114 87.425 18.917 8.107 809 H HIS 115 H HIS 115 86.657 16.571 7.525 810 HA HIS 115 HA HIS 115 87.080 17.738 4.866 811 1HB HIS 115 1HB HIS 115 88.280 15.627 6.626 812 2HB HIS 115 2HB HIS 115 88.687 15.625 4.913 813 HD1 HIS 115 HD1 HIS 115 88.724 18.697 4.437 814 HD2 HIS 115 HD2 HIS 115 90.603 16.812 7.646 815 HE1 HIS 115 HE1 HIS 115 90.541 20.273 5.230 816 H LYS 116 H LYS 116 84.812 15.601 6.061 817 HA LYS 116 HA LYS 116 84.826 13.531 4.056 818 1HB LYS 116 1HB LYS 116 83.742 13.879 6.465 819 2HB LYS 116 2HB LYS 116 82.379 14.451 5.506 820 1HG LYS 116 1HG LYS 116 83.466 12.038 4.351 821 2HG LYS 116 2HG LYS 116 83.067 11.777 6.051 822 1HD LYS 116 1HD LYS 116 80.920 13.267 5.097 823 2HD LYS 116 2HD LYS 116 81.283 12.159 3.772 824 1HE LYS 116 1HE LYS 116 80.939 10.244 5.119 825 2HE LYS 116 2HE LYS 116 81.089 11.172 6.624 826 1HZ LYS 116 1HZ LYS 116 79.066 12.115 4.773 827 2HZ LYS 116 2HZ LYS 116 78.743 10.602 5.468 828 3HZ LYS 116 3HZ LYS 116 79.001 11.954 6.464 829 H ASN 117 H ASN 117 83.431 13.359 2.219 830 HA ASN 117 HA ASN 117 82.464 14.259 0.247 831 1HB ASN 117 1HB ASN 117 80.966 15.416 2.603 832 2HB ASN 117 2HB ASN 117 80.417 15.661 0.946 833 1HD2 ASN 117 2HD2 ASN 117 79.099 14.052 3.107 834 2HD2 ASN 117 1HD2 ASN 117 78.966 12.478 2.485 835 H LEU 118 H LEU 118 84.804 15.605 0.466 836 HA LEU 118 HA LEU 118 84.367 18.461 0.712 837 1HB LEU 118 1HB LEU 118 86.357 17.646 1.634 838 2HB LEU 118 2HB LEU 118 86.588 16.504 0.327 839 HG LEU 118 HG LEU 118 86.953 18.449 -1.194 840 1HD1 LEU 118 1HD1 LEU 118 86.043 19.918 0.971 841 2HD1 LEU 118 2HD1 LEU 118 87.788 20.165 1.044 842 3HD1 LEU 118 3HD1 LEU 118 86.898 20.595 -0.416 843 1HD2 LEU 118 1HD2 LEU 118 88.684 17.135 0.590 844 2HD2 LEU 118 2HD2 LEU 118 89.136 17.981 -0.889 845 3HD2 LEU 118 3HD2 LEU 118 89.144 18.837 0.653 846 H ASP 119 H ASP 119 85.301 19.797 -1.134 847 HA ASP 119 HA ASP 119 84.174 18.861 -3.717 848 1HB ASP 119 1HB ASP 119 83.541 21.043 -2.702 849 2HB ASP 119 2HB ASP 119 85.227 21.552 -2.793 850 H LYS 120 H LYS 120 85.480 18.379 -5.466 851 HA LYS 120 HA LYS 120 88.235 17.870 -5.246 852 1HB LYS 120 1HB LYS 120 86.260 18.336 -7.446 853 2HB LYS 120 2HB LYS 120 87.969 18.256 -7.874 854 1HG LYS 120 1HG LYS 120 88.187 16.052 -6.940 855 2HG LYS 120 2HG LYS 120 86.583 16.141 -6.209 856 1HD LYS 120 1HD LYS 120 86.670 16.594 -9.134 857 2HD LYS 120 2HD LYS 120 87.070 14.958 -8.609 858 1HE LYS 120 1HE LYS 120 84.910 15.275 -7.083 859 2HE LYS 120 2HE LYS 120 84.482 16.449 -8.344 860 1HZ LYS 120 1HZ LYS 120 85.474 14.416 -9.790 861 2HZ LYS 120 2HZ LYS 120 84.729 13.569 -8.519 862 3HZ LYS 120 3HZ LYS 120 83.822 14.640 -9.477 863 H LYS 121 H LYS 121 86.560 20.863 -5.625 864 HA LYS 121 HA LYS 121 88.515 22.457 -6.960 865 1HB LYS 121 1HB LYS 121 86.141 22.771 -5.229 866 2HB LYS 121 2HB LYS 121 87.246 24.146 -5.243 867 1HG LYS 121 1HG LYS 121 85.623 24.450 -7.020 868 2HG LYS 121 2HG LYS 121 87.190 24.086 -7.748 869 1HD LYS 121 1HD LYS 121 86.571 21.819 -8.180 870 2HD LYS 121 2HD LYS 121 85.137 21.944 -7.162 871 1HE LYS 121 1HE LYS 121 84.790 23.999 -9.013 872 2HE LYS 121 2HE LYS 121 85.455 22.664 -9.975 873 1HZ LYS 121 1HZ LYS 121 83.439 22.048 -7.940 874 2HZ LYS 121 2HZ LYS 121 82.911 22.749 -9.395 875 3HZ LYS 121 3HZ LYS 121 83.752 21.273 -9.415 876 H ASN 122 H ASN 122 88.581 21.005 -3.914 877 HA ASN 122 HA ASN 122 90.494 22.955 -2.734 878 1HB ASN 122 1HB ASN 122 88.817 20.633 -1.876 879 2HB ASN 122 2HB ASN 122 90.282 20.956 -0.958 880 1HD2 ASN 122 2HD2 ASN 122 87.063 22.149 -1.705 881 2HD2 ASN 122 1HD2 ASN 122 87.088 23.458 -0.623 882 H CYS 123 H CYS 123 90.363 20.210 -4.649 883 HA CYS 123 HA CYS 123 93.000 19.127 -3.840 884 1HB CYS 123 1HB CYS 123 90.560 18.312 -5.333 885 2HB CYS 123 2HB CYS 123 92.067 17.569 -5.827 Start of MODEL 18 1 1H ALA 1 1H ALA 1 85.182 -9.553 -4.452 2 2H ALA 1 2H ALA 1 84.298 -10.581 -5.475 3 3H ALA 1 3H ALA 1 85.988 -10.710 -5.400 4 HA ALA 1 HA ALA 1 85.877 -9.471 -7.289 5 1HB ALA 1 1HB ALA 1 83.187 -9.227 -6.217 6 2HB ALA 1 2HB ALA 1 83.709 -7.712 -6.954 7 3HB ALA 1 3HB ALA 1 83.715 -9.200 -7.899 8 H LEU 2 H LEU 2 84.801 -7.726 -4.352 9 HA LEU 2 HA LEU 2 87.206 -6.086 -4.315 10 1HB LEU 2 1HB LEU 2 86.041 -5.056 -6.187 11 2HB LEU 2 2HB LEU 2 84.555 -4.940 -5.244 12 HG LEU 2 HG LEU 2 86.538 -3.707 -3.673 13 1HD1 LEU 2 1HD1 LEU 2 87.022 -3.399 -6.567 14 2HD1 LEU 2 2HD1 LEU 2 86.919 -1.880 -5.679 15 3HD1 LEU 2 3HD1 LEU 2 88.103 -3.099 -5.207 16 1HD2 LEU 2 1HD2 LEU 2 83.987 -3.225 -4.344 17 2HD2 LEU 2 2HD2 LEU 2 85.025 -1.963 -3.682 18 3HD2 LEU 2 3HD2 LEU 2 84.762 -2.064 -5.423 19 H TRP 3 H TRP 3 83.869 -6.586 -3.218 20 HA TRP 3 HA TRP 3 83.756 -4.909 -0.977 21 1HB TRP 3 1HB TRP 3 82.065 -6.451 -0.200 22 2HB TRP 3 2HB TRP 3 81.990 -6.434 -1.962 23 HD1 TRP 3 HD1 TRP 3 83.573 -8.451 -3.153 24 HE1 TRP 3 HE1 TRP 3 83.736 -10.922 -2.438 25 HE3 TRP 3 HE3 TRP 3 81.876 -8.094 1.648 26 HZ2 TRP 3 HZ2 TRP 3 83.215 -12.534 -0.138 27 HZ3 TRP 3 HZ3 TRP 3 81.717 -10.111 3.078 28 HH2 TRP 3 HH2 TRP 3 82.386 -12.329 2.191 29 H GLN 4 H GLN 4 85.784 -7.689 -1.477 30 HA GLN 4 HA GLN 4 86.256 -8.566 1.179 31 1HB GLN 4 1HB GLN 4 88.069 -8.308 -1.245 32 2HB GLN 4 2HB GLN 4 88.479 -9.245 0.193 33 1HG GLN 4 1HG GLN 4 85.813 -9.817 -0.961 34 2HG GLN 4 2HG GLN 4 87.184 -10.286 -1.967 35 1HE2 GLN 4 2HE2 GLN 4 86.993 -12.580 -1.578 36 2HE2 GLN 4 1HE2 GLN 4 87.274 -13.267 -0.052 37 H PHE 5 H PHE 5 87.487 -5.768 -0.597 38 HA PHE 5 HA PHE 5 89.573 -4.986 1.194 39 1HB PHE 5 1HB PHE 5 89.361 -4.087 -1.040 40 2HB PHE 5 2HB PHE 5 87.741 -3.483 -0.697 41 HD1 PHE 5 HD1 PHE 5 90.499 -3.309 1.749 42 HD2 PHE 5 HD2 PHE 5 88.241 -1.159 -1.205 43 HE1 PHE 5 HE1 PHE 5 91.466 -1.175 2.564 44 HE2 PHE 5 HE2 PHE 5 89.208 0.974 -0.392 45 HZ PHE 5 HZ PHE 5 90.821 0.967 1.492 46 H ASN 6 H ASN 6 86.171 -3.872 0.987 47 HA ASN 6 HA ASN 6 86.169 -2.103 3.187 48 1HB ASN 6 1HB ASN 6 84.294 -3.574 1.507 49 2HB ASN 6 2HB ASN 6 83.681 -3.387 3.151 50 1HD2 ASN 6 2HD2 ASN 6 82.087 -1.776 2.469 51 2HD2 ASN 6 1HD2 ASN 6 82.557 -0.204 2.033 52 H GLY 7 H GLY 7 85.700 -5.632 3.116 53 1HA GLY 7 1HA GLY 7 84.896 -6.071 5.768 54 2HA GLY 7 2HA GLY 7 85.884 -7.207 4.850 55 H MET 8 H MET 8 88.264 -5.972 4.536 56 HA MET 8 HA MET 8 89.611 -6.291 6.990 57 1HB MET 8 1HB MET 8 90.144 -4.851 4.402 58 2HB MET 8 2HB MET 8 91.315 -4.742 5.716 59 1HG MET 8 1HG MET 8 91.292 -7.269 5.823 60 2HG MET 8 2HG MET 8 90.330 -7.255 4.344 61 1HE MET 8 1HE MET 8 92.214 -8.876 4.216 62 2HE MET 8 2HE MET 8 92.586 -8.463 2.537 63 3HE MET 8 3HE MET 8 93.873 -8.528 3.735 64 H ILE 9 H ILE 9 88.565 -3.225 5.445 65 HA ILE 9 HA ILE 9 89.444 -1.523 7.589 66 HB ILE 9 HB ILE 9 87.264 -1.192 5.500 67 1HG1 ILE 9 1HG1 ILE 9 90.235 -0.587 5.504 68 2HG1 ILE 9 2HG1 ILE 9 89.368 -1.684 4.427 69 1HG2 ILE 9 1HG2 ILE 9 87.324 0.421 7.507 70 2HG2 ILE 9 2HG2 ILE 9 88.862 0.985 6.855 71 3HG2 ILE 9 3HG2 ILE 9 87.386 1.146 5.901 72 1HD1 ILE 9 1HD1 ILE 9 88.094 0.860 4.263 73 2HD1 ILE 9 2HD1 ILE 9 89.830 1.122 4.096 74 3HD1 ILE 9 3HD1 ILE 9 88.997 0.016 3.005 75 H LYS 10 H LYS 10 86.714 -3.626 7.264 76 HA LYS 10 HA LYS 10 85.060 -2.184 9.230 77 1HB LYS 10 1HB LYS 10 84.873 -4.570 7.449 78 2HB LYS 10 2HB LYS 10 83.817 -4.531 8.862 79 1HG LYS 10 1HG LYS 10 83.247 -2.116 8.104 80 2HG LYS 10 2HG LYS 10 83.941 -2.596 6.554 81 1HD LYS 10 1HD LYS 10 82.329 -4.728 7.039 82 2HD LYS 10 2HD LYS 10 81.409 -3.451 7.835 83 1HE LYS 10 1HE LYS 10 82.052 -2.167 5.537 84 2HE LYS 10 2HE LYS 10 81.976 -3.839 4.944 85 1HZ LYS 10 1HZ LYS 10 79.867 -3.952 6.396 86 2HZ LYS 10 2HZ LYS 10 79.886 -2.256 6.295 87 3HZ LYS 10 3HZ LYS 10 79.770 -3.195 4.883 88 H CYS 11 H CYS 11 87.064 -5.145 9.130 89 HA CYS 11 HA CYS 11 86.327 -6.020 11.765 90 1HB CYS 11 1HB CYS 11 87.408 -7.243 9.718 91 2HB CYS 11 2HB CYS 11 88.925 -6.652 10.392 92 H LYS 12 H LYS 12 88.911 -4.008 10.443 93 HA LYS 12 HA LYS 12 90.405 -3.771 12.926 94 1HB LYS 12 1HB LYS 12 90.298 -2.149 10.360 95 2HB LYS 12 2HB LYS 12 91.523 -1.940 11.614 96 1HG LYS 12 1HG LYS 12 91.019 -4.657 10.419 97 2HG LYS 12 2HG LYS 12 92.067 -3.500 9.598 98 1HD LYS 12 1HD LYS 12 92.486 -4.010 12.522 99 2HD LYS 12 2HD LYS 12 93.082 -5.191 11.355 100 1HE LYS 12 1HE LYS 12 94.709 -3.775 10.560 101 2HE LYS 12 2HE LYS 12 93.689 -2.336 10.758 102 1HZ LYS 12 1HZ LYS 12 93.878 -2.867 13.245 103 2HZ LYS 12 2HZ LYS 12 95.224 -3.808 12.808 104 3HZ LYS 12 3HZ LYS 12 95.208 -2.140 12.484 105 H ILE 13 H ILE 13 87.977 -1.765 11.251 106 HA ILE 13 HA ILE 13 87.793 -0.055 13.711 107 HB ILE 13 HB ILE 13 87.059 0.535 10.824 108 1HG1 ILE 13 1HG1 ILE 13 89.371 1.749 12.317 109 2HG1 ILE 13 2HG1 ILE 13 89.563 0.181 11.531 110 1HG2 ILE 13 1HG2 ILE 13 85.887 1.782 12.753 111 2HG2 ILE 13 2HG2 ILE 13 87.463 2.502 13.080 112 3HG2 ILE 13 3HG2 ILE 13 86.677 2.769 11.524 113 1HD1 ILE 13 1HD1 ILE 13 88.286 2.354 9.937 114 2HD1 ILE 13 2HD1 ILE 13 90.021 2.482 10.230 115 3HD1 ILE 13 3HD1 ILE 13 89.366 1.062 9.413 116 HA PRO 14 HA PRO 14 83.843 -2.400 13.362 117 1HB PRO 14 1HB PRO 14 83.633 -2.937 16.037 118 2HB PRO 14 2HB PRO 14 84.554 -3.960 14.916 119 1HG PRO 14 1HG PRO 14 85.521 -1.929 16.855 120 2HG PRO 14 2HG PRO 14 86.248 -3.469 16.372 121 1HD PRO 14 1HD PRO 14 87.067 -1.011 15.454 122 2HD PRO 14 2HD PRO 14 87.329 -2.543 14.593 123 H SER 15 H SER 15 84.942 0.180 15.494 124 HA SER 15 HA SER 15 82.344 1.006 16.448 125 1HB SER 15 1HB SER 15 83.757 3.148 16.867 126 2HB SER 15 2HB SER 15 84.251 1.664 17.676 127 HG SER 15 HG SER 15 85.268 2.070 15.130 128 H SER 16 H SER 16 83.728 1.162 13.362 129 HA SER 16 HA SER 16 81.656 3.088 12.476 130 1HB SER 16 1HB SER 16 84.596 3.552 12.612 131 2HB SER 16 2HB SER 16 83.770 4.132 11.168 132 HG SER 16 HG SER 16 82.227 5.082 12.733 133 H GLU 17 H GLU 17 81.232 2.901 10.193 134 HA GLU 17 HA GLU 17 82.402 0.448 8.941 135 1HB GLU 17 1HB GLU 17 79.848 1.937 8.273 136 2HB GLU 17 2HB GLU 17 80.285 0.296 7.804 137 1HG GLU 17 1HG GLU 17 80.448 0.580 10.675 138 2HG GLU 17 2HG GLU 17 78.855 1.078 10.104 139 HA PRO 18 HA PRO 18 84.110 2.979 5.774 140 1HB PRO 18 1HB PRO 18 84.168 1.196 3.705 141 2HB PRO 18 2HB PRO 18 85.263 1.093 5.097 142 1HG PRO 18 1HG PRO 18 82.845 -0.501 4.476 143 2HG PRO 18 2HG PRO 18 84.329 -0.974 5.312 144 1HD PRO 18 1HD PRO 18 81.922 -0.371 6.546 145 2HD PRO 18 2HD PRO 18 83.511 -0.376 7.339 146 H LEU 19 H LEU 19 80.913 2.121 5.823 147 HA LEU 19 HA LEU 19 80.337 3.364 3.155 148 1HB LEU 19 1HB LEU 19 78.820 1.449 4.949 149 2HB LEU 19 2HB LEU 19 78.110 2.187 3.514 150 HG LEU 19 HG LEU 19 80.685 0.595 3.463 151 1HD1 LEU 19 1HD1 LEU 19 78.463 -0.622 4.139 152 2HD1 LEU 19 2HD1 LEU 19 78.042 -0.411 2.439 153 3HD1 LEU 19 3HD1 LEU 19 79.482 -1.328 2.886 154 1HD2 LEU 19 1HD2 LEU 19 78.902 1.918 1.444 155 2HD2 LEU 19 2HD2 LEU 19 80.664 1.884 1.524 156 3HD2 LEU 19 3HD2 LEU 19 79.778 0.459 0.980 157 H LEU 20 H LEU 20 79.732 3.540 6.622 158 HA LEU 20 HA LEU 20 77.933 5.895 6.190 159 1HB LEU 20 1HB LEU 20 78.435 4.350 8.743 160 2HB LEU 20 2HB LEU 20 77.044 5.357 8.342 161 HG LEU 20 HG LEU 20 77.785 2.773 6.939 162 1HD1 LEU 20 1HD1 LEU 20 76.516 3.183 9.424 163 2HD1 LEU 20 2HD1 LEU 20 75.224 2.815 8.282 164 3HD1 LEU 20 3HD1 LEU 20 76.565 1.689 8.490 165 1HD2 LEU 20 1HD2 LEU 20 76.483 4.780 5.783 166 2HD2 LEU 20 2HD2 LEU 20 75.953 3.113 5.555 167 3HD2 LEU 20 3HD2 LEU 20 75.132 4.148 6.724 168 H ASP 21 H ASP 21 81.137 5.183 6.842 169 HA ASP 21 HA ASP 21 81.484 7.725 8.402 170 1HB ASP 21 1HB ASP 21 81.986 5.225 9.285 171 2HB ASP 21 2HB ASP 21 83.524 5.554 8.485 172 H PHE 22 H PHE 22 83.568 5.486 6.534 173 HA PHE 22 HA PHE 22 85.013 7.785 5.376 174 1HB PHE 22 1HB PHE 22 85.320 4.798 4.939 175 2HB PHE 22 2HB PHE 22 86.523 6.042 4.598 176 HD1 PHE 22 HD1 PHE 22 87.065 7.633 6.679 177 HD2 PHE 22 HD2 PHE 22 85.491 3.646 6.960 178 HE1 PHE 22 HE1 PHE 22 87.905 7.464 9.006 179 HE2 PHE 22 HE2 PHE 22 86.332 3.478 9.287 180 HZ PHE 22 HZ PHE 22 87.539 5.387 10.309 181 H ASN 23 H ASN 23 82.602 8.163 4.362 182 HA ASN 23 HA ASN 23 82.534 6.787 1.698 183 1HB ASN 23 1HB ASN 23 80.625 6.555 3.395 184 2HB ASN 23 2HB ASN 23 80.292 8.262 3.098 185 1HD2 ASN 23 2HD2 ASN 23 78.759 5.684 2.328 186 2HD2 ASN 23 1HD2 ASN 23 78.478 5.865 0.663 187 H ASN 24 H ASN 24 83.251 8.098 0.072 188 HA ASN 24 HA ASN 24 83.707 10.054 -1.173 189 1HB ASN 24 1HB ASN 24 81.153 9.911 -0.956 190 2HB ASN 24 2HB ASN 24 81.301 11.133 0.307 191 1HD2 ASN 24 2HD2 ASN 24 80.569 10.918 -2.883 192 2HD2 ASN 24 1HD2 ASN 24 81.186 12.399 -3.436 193 H TYR 25 H TYR 25 85.572 10.163 0.571 194 HA TYR 25 HA TYR 25 85.386 12.841 1.904 195 1HB TYR 25 1HB TYR 25 85.134 11.279 3.671 196 2HB TYR 25 2HB TYR 25 86.289 10.156 2.953 197 HD1 TYR 25 HD1 TYR 25 88.715 10.610 3.040 198 HD2 TYR 25 HD2 TYR 25 85.872 13.182 4.975 199 HE1 TYR 25 HE1 TYR 25 90.546 11.645 4.353 200 HE2 TYR 25 HE2 TYR 25 87.703 14.218 6.287 201 HH TYR 25 HH TYR 25 91.095 13.226 5.810 202 H GLY 26 H GLY 26 87.522 13.886 2.125 203 1HA GLY 26 1HA GLY 26 89.543 14.568 1.114 204 2HA GLY 26 2HA GLY 26 89.999 12.877 1.329 205 H CYS 27 H CYS 27 91.185 13.431 -0.772 206 HA CYS 27 HA CYS 27 89.383 13.360 -3.148 207 1HB CYS 27 1HB CYS 27 91.844 14.625 -2.430 208 2HB CYS 27 2HB CYS 27 92.160 13.557 -3.798 209 H TYR 28 H TYR 28 91.209 11.229 -1.214 210 HA TYR 28 HA TYR 28 91.618 9.350 -3.511 211 1HB TYR 28 1HB TYR 28 92.867 9.639 -0.767 212 2HB TYR 28 2HB TYR 28 93.186 8.262 -1.825 213 HD1 TYR 28 HD1 TYR 28 93.997 8.765 -4.225 214 HD2 TYR 28 HD2 TYR 28 94.068 11.645 -1.040 215 HE1 TYR 28 HE1 TYR 28 95.666 10.106 -5.476 216 HE2 TYR 28 HE2 TYR 28 95.738 12.986 -2.289 217 HH TYR 28 HH TYR 28 97.582 12.298 -4.209 218 H CYS 29 H CYS 29 90.080 9.707 -0.345 219 HA CYS 29 HA CYS 29 89.325 6.922 -0.060 220 1HB CYS 29 1HB CYS 29 88.144 9.460 1.118 221 2HB CYS 29 2HB CYS 29 87.930 7.827 1.752 222 H GLY 30 H GLY 30 87.163 6.046 -0.356 223 1HA GLY 30 1HA GLY 30 85.091 5.805 -1.441 224 2HA GLY 30 2HA GLY 30 85.039 7.563 -1.585 225 H LEU 31 H LEU 31 84.131 6.137 -3.730 226 HA LEU 31 HA LEU 31 86.360 5.882 -5.677 227 1HB LEU 31 1HB LEU 31 84.023 4.500 -5.188 228 2HB LEU 31 2HB LEU 31 83.575 5.513 -6.562 229 HG LEU 31 HG LEU 31 85.865 4.722 -7.556 230 1HD1 LEU 31 1HD1 LEU 31 85.621 3.146 -5.119 231 2HD1 LEU 31 2HD1 LEU 31 85.757 2.118 -6.545 232 3HD1 LEU 31 3HD1 LEU 31 87.002 3.319 -6.202 233 1HD2 LEU 31 1HD2 LEU 31 83.321 4.047 -8.052 234 2HD2 LEU 31 2HD2 LEU 31 84.666 3.224 -8.842 235 3HD2 LEU 31 3HD2 LEU 31 83.883 2.490 -7.443 236 H GLY 32 H GLY 32 86.761 8.282 -5.647 237 1HA GLY 32 1HA GLY 32 85.886 9.656 -7.869 238 2HA GLY 32 2HA GLY 32 84.671 10.054 -6.652 239 H GLY 33 H GLY 33 88.010 10.481 -7.603 240 1HA GLY 33 1HA GLY 33 88.416 12.998 -6.576 241 2HA GLY 33 2HA GLY 33 88.740 11.958 -5.190 242 H SER 34 H SER 34 90.662 13.636 -6.637 243 HA SER 34 HA SER 34 92.834 11.749 -6.848 244 1HB SER 34 1HB SER 34 93.118 12.188 -9.379 245 2HB SER 34 2HB SER 34 91.845 11.069 -8.900 246 HG SER 34 HG SER 34 91.687 13.673 -9.899 247 H GLY 35 H GLY 35 94.334 13.103 -5.918 248 1HA GLY 35 1HA GLY 35 95.781 15.076 -7.015 249 2HA GLY 35 2HA GLY 35 94.324 15.981 -6.597 250 H THR 36 H THR 36 96.170 17.077 -5.256 251 HA THR 36 HA THR 36 97.476 16.044 -3.054 252 HB THR 36 HB THR 36 95.828 18.592 -3.071 253 HG1 THR 36 HG1 THR 36 97.780 19.453 -4.009 254 1HG2 THR 36 1HG2 THR 36 96.917 18.000 -0.926 255 2HG2 THR 36 2HG2 THR 36 98.469 17.892 -1.758 256 3HG2 THR 36 3HG2 THR 36 97.635 19.442 -1.646 257 HA PRO 37 HA PRO 37 94.236 14.349 -0.564 258 1HB PRO 37 1HB PRO 37 95.723 13.927 1.696 259 2HB PRO 37 2HB PRO 37 95.837 12.893 0.257 260 1HG PRO 37 1HG PRO 37 97.642 15.078 1.163 261 2HG PRO 37 2HG PRO 37 98.036 13.529 0.402 262 1HD PRO 37 1HD PRO 37 98.002 15.908 -0.938 263 2HD PRO 37 2HD PRO 37 97.705 14.334 -1.710 264 H VAL 38 H VAL 38 93.562 14.758 1.924 265 HA VAL 38 HA VAL 38 93.568 17.732 2.315 266 HB VAL 38 HB VAL 38 91.403 17.112 3.598 267 1HG1 VAL 38 1HG1 VAL 38 91.764 17.998 1.132 268 2HG1 VAL 38 2HG1 VAL 38 91.187 16.390 0.697 269 3HG1 VAL 38 3HG1 VAL 38 90.170 17.459 1.662 270 1HG2 VAL 38 1HG2 VAL 38 92.047 14.649 3.646 271 2HG2 VAL 38 2HG2 VAL 38 90.407 14.984 3.092 272 3HG2 VAL 38 3HG2 VAL 38 91.672 14.600 1.924 273 H ASP 39 H ASP 39 93.978 14.594 3.896 274 HA ASP 39 HA ASP 39 95.490 15.862 6.076 275 1HB ASP 39 1HB ASP 39 92.837 15.872 6.405 276 2HB ASP 39 2HB ASP 39 93.149 14.221 6.946 277 H ASP 40 H ASP 40 95.603 13.827 7.873 278 HA ASP 40 HA ASP 40 97.295 11.880 6.653 279 1HB ASP 40 1HB ASP 40 96.067 12.479 9.262 280 2HB ASP 40 2HB ASP 40 96.408 10.765 9.015 281 H LEU 41 H LEU 41 93.828 11.803 7.463 282 HA LEU 41 HA LEU 41 93.360 9.027 7.018 283 1HB LEU 41 1HB LEU 41 91.888 10.957 7.972 284 2HB LEU 41 2HB LEU 41 91.441 11.244 6.294 285 HG LEU 41 HG LEU 41 89.774 9.751 6.864 286 1HD1 LEU 41 1HD1 LEU 41 91.088 8.678 5.067 287 2HD1 LEU 41 2HD1 LEU 41 92.062 7.849 6.281 288 3HD1 LEU 41 3HD1 LEU 41 90.345 7.477 6.124 289 1HD2 LEU 41 1HD2 LEU 41 91.265 9.439 9.160 290 2HD2 LEU 41 2HD2 LEU 41 89.755 8.597 8.817 291 3HD2 LEU 41 3HD2 LEU 41 91.300 7.819 8.471 292 H ASP 42 H ASP 42 92.745 11.747 4.746 293 HA ASP 42 HA ASP 42 92.218 10.150 2.457 294 1HB ASP 42 1HB ASP 42 91.938 12.680 2.909 295 2HB ASP 42 2HB ASP 42 93.633 12.824 2.439 296 H ARG 43 H ARG 43 95.273 11.350 3.818 297 HA ARG 43 HA ARG 43 97.068 10.720 1.739 298 1HB ARG 43 1HB ARG 43 97.142 10.756 4.748 299 2HB ARG 43 2HB ARG 43 98.559 10.193 3.861 300 1HG ARG 43 1HG ARG 43 97.509 12.614 2.667 301 2HG ARG 43 2HG ARG 43 97.853 12.865 4.380 302 1HD ARG 43 1HD ARG 43 99.816 13.291 2.822 303 2HD ARG 43 2HD ARG 43 100.147 12.103 4.090 304 HE ARG 43 HE ARG 43 99.171 10.560 2.066 305 1HH1 ARG 43 1HH1 ARG 43 102.085 11.923 2.882 306 2HH1 ARG 43 2HH1 ARG 43 102.813 11.770 1.317 307 1HH2 ARG 43 1HH2 ARG 43 99.868 10.828 -0.254 308 2HH2 ARG 43 2HH2 ARG 43 101.557 11.150 -0.458 309 H CYS 44 H CYS 44 95.547 8.645 4.164 310 HA CYS 44 HA CYS 44 97.014 6.263 3.595 311 1HB CYS 44 1HB CYS 44 94.251 6.803 4.717 312 2HB CYS 44 2HB CYS 44 95.044 5.232 4.778 313 H CYS 45 H CYS 45 93.928 7.564 2.381 314 HA CYS 45 HA CYS 45 93.177 5.349 0.742 315 1HB CYS 45 1HB CYS 45 92.670 8.334 0.677 316 2HB CYS 45 2HB CYS 45 91.881 7.223 -0.443 317 H GLN 46 H GLN 46 95.100 8.270 0.027 318 HA GLN 46 HA GLN 46 95.518 7.896 -2.743 319 1HB GLN 46 1HB GLN 46 96.188 9.887 -1.495 320 2HB GLN 46 2HB GLN 46 97.329 8.940 -0.540 321 1HG GLN 46 1HG GLN 46 98.783 8.624 -2.369 322 2HG GLN 46 2HG GLN 46 97.537 9.036 -3.546 323 1HE2 GLN 46 1HE2 GLN 46 99.677 10.489 -4.029 324 2HE2 GLN 46 2HE2 GLN 46 99.592 12.048 -3.375 325 H THR 47 H THR 47 97.171 6.468 0.045 326 HA THR 47 HA THR 47 99.232 5.121 -1.402 327 HB THR 47 HB THR 47 97.948 4.334 1.221 328 HG1 THR 47 HG1 THR 47 99.457 6.545 0.474 329 1HG2 THR 47 1HG2 THR 47 99.701 2.841 0.232 330 2HG2 THR 47 2HG2 THR 47 100.824 4.200 0.279 331 3HG2 THR 47 3HG2 THR 47 100.171 3.542 1.780 332 H HIS 48 H HIS 48 95.906 4.280 -0.578 333 HA HIS 48 HA HIS 48 95.999 1.474 -1.120 334 1HB HIS 48 1HB HIS 48 94.159 2.640 0.021 335 2HB HIS 48 2HB HIS 48 93.805 3.550 -1.444 336 HD1 HIS 48 HD1 HIS 48 92.426 2.406 -3.247 337 HD2 HIS 48 HD2 HIS 48 93.532 -0.199 -0.185 338 HE1 HIS 48 HE1 HIS 48 91.142 0.257 -3.635 339 H ASP 49 H ASP 49 94.992 4.198 -3.184 340 HA ASP 49 HA ASP 49 94.642 2.699 -5.572 341 1HB ASP 49 1HB ASP 49 95.035 5.548 -4.764 342 2HB ASP 49 2HB ASP 49 95.187 5.158 -6.478 343 H ASN 50 H ASN 50 97.430 4.558 -4.351 344 HA ASN 50 HA ASN 50 99.190 4.198 -6.521 345 1HB ASN 50 1HB ASN 50 99.407 4.640 -3.566 346 2HB ASN 50 2HB ASN 50 100.882 4.299 -4.474 347 1HD2 ASN 50 2HD2 ASN 50 101.124 6.743 -3.597 348 2HD2 ASN 50 1HD2 ASN 50 100.644 7.938 -4.703 349 H CYS 51 H CYS 51 98.346 2.041 -3.854 350 HA CYS 51 HA CYS 51 100.418 0.075 -4.390 351 1HB CYS 51 1HB CYS 51 99.007 0.566 -2.263 352 2HB CYS 51 2HB CYS 51 97.759 -0.409 -3.040 353 H TYR 52 H TYR 52 97.035 0.508 -5.381 354 HA TYR 52 HA TYR 52 96.706 -2.051 -6.654 355 1HB TYR 52 1HB TYR 52 95.402 0.646 -6.668 356 2HB TYR 52 2HB TYR 52 94.950 -0.497 -7.932 357 HD1 TYR 52 HD1 TYR 52 96.013 -1.373 -4.482 358 HD2 TYR 52 HD2 TYR 52 92.726 -1.042 -7.228 359 HE1 TYR 52 HE1 TYR 52 94.552 -2.572 -2.877 360 HE2 TYR 52 HE2 TYR 52 91.265 -2.242 -5.623 361 HH TYR 52 HH TYR 52 91.190 -3.388 -3.709 362 H LYS 53 H LYS 53 98.231 0.944 -7.628 363 HA LYS 53 HA LYS 53 98.286 0.380 -10.495 364 1HB LYS 53 1HB LYS 53 100.270 2.120 -9.032 365 2HB LYS 53 2HB LYS 53 99.511 2.393 -10.599 366 1HG LYS 53 1HG LYS 53 97.454 2.262 -8.626 367 2HG LYS 53 2HG LYS 53 98.689 3.370 -8.055 368 1HD LYS 53 1HD LYS 53 97.922 4.934 -9.471 369 2HD LYS 53 2HD LYS 53 98.336 3.881 -10.825 370 1HE LYS 53 1HE LYS 53 95.846 3.138 -9.404 371 2HE LYS 53 2HE LYS 53 95.783 4.677 -10.285 372 1HZ LYS 53 1HZ LYS 53 97.024 3.344 -12.098 373 2HZ LYS 53 2HZ LYS 53 96.389 1.983 -11.312 374 3HZ LYS 53 3HZ LYS 53 95.341 3.159 -11.948 375 H GLN 54 H GLN 54 100.708 0.381 -7.918 376 HA GLN 54 HA GLN 54 102.849 -0.786 -9.343 377 1HB GLN 54 1HB GLN 54 102.037 -0.944 -6.427 378 2HB GLN 54 2HB GLN 54 103.640 -1.353 -7.037 379 1HG GLN 54 1HG GLN 54 103.630 1.010 -8.086 380 2HG GLN 54 2HG GLN 54 102.282 1.339 -6.997 381 1HE2 GLN 54 2HE2 GLN 54 102.775 0.670 -4.594 382 2HE2 GLN 54 1HE2 GLN 54 104.335 1.023 -4.026 383 H ALA 55 H ALA 55 100.174 -2.276 -7.550 384 HA ALA 55 HA ALA 55 101.031 -4.986 -7.626 385 1HB ALA 55 1HB ALA 55 98.800 -3.476 -6.840 386 2HB ALA 55 2HB ALA 55 98.167 -4.610 -8.033 387 3HB ALA 55 3HB ALA 55 99.015 -5.212 -6.609 388 H LYS 56 H LYS 56 99.299 -3.010 -10.017 389 HA LYS 56 HA LYS 56 98.814 -5.154 -11.897 390 1HB LYS 56 1HB LYS 56 98.831 -2.144 -11.896 391 2HB LYS 56 2HB LYS 56 98.660 -3.007 -13.425 392 1HG LYS 56 1HG LYS 56 96.665 -4.097 -12.701 393 2HG LYS 56 2HG LYS 56 96.926 -3.618 -11.024 394 1HD LYS 56 1HD LYS 56 95.374 -2.020 -11.656 395 2HD LYS 56 2HD LYS 56 96.866 -1.176 -12.075 396 1HE LYS 56 1HE LYS 56 95.959 -2.929 -14.238 397 2HE LYS 56 2HE LYS 56 94.767 -1.677 -13.830 398 1HZ LYS 56 1HZ LYS 56 96.632 -0.062 -13.812 399 2HZ LYS 56 2HZ LYS 56 97.652 -1.279 -14.420 400 3HZ LYS 56 3HZ LYS 56 96.336 -0.729 -15.344 401 H LYS 57 H LYS 57 101.449 -2.828 -11.417 402 HA LYS 57 HA LYS 57 102.874 -3.269 -13.822 403 1HB LYS 57 1HB LYS 57 103.129 -1.892 -11.347 404 2HB LYS 57 2HB LYS 57 104.622 -2.800 -11.591 405 1HG LYS 57 1HG LYS 57 104.009 -1.720 -14.110 406 2HG LYS 57 2HG LYS 57 103.687 -0.419 -12.962 407 1HD LYS 57 1HD LYS 57 105.907 -0.558 -12.054 408 2HD LYS 57 2HD LYS 57 106.236 -2.052 -12.931 409 1HE LYS 57 1HE LYS 57 105.512 -0.331 -14.971 410 2HE LYS 57 2HE LYS 57 106.421 0.725 -13.871 411 1HZ LYS 57 1HZ LYS 57 107.433 -1.981 -14.370 412 2HZ LYS 57 2HZ LYS 57 107.665 -0.812 -15.576 413 3HZ LYS 57 3HZ LYS 57 108.288 -0.556 -14.017 414 H LEU 58 H LEU 58 102.828 -5.068 -10.767 415 HA LEU 58 HA LEU 58 105.106 -6.649 -10.959 416 1HB LEU 58 1HB LEU 58 102.514 -6.664 -9.683 417 2HB LEU 58 2HB LEU 58 102.983 -8.309 -10.116 418 HG LEU 58 HG LEU 58 105.325 -7.509 -9.123 419 1HD1 LEU 58 1HD1 LEU 58 103.268 -5.617 -8.036 420 2HD1 LEU 58 2HD1 LEU 58 104.570 -6.160 -6.979 421 3HD1 LEU 58 3HD1 LEU 58 104.948 -5.307 -8.475 422 1HD2 LEU 58 1HD2 LEU 58 103.897 -9.404 -8.346 423 2HD2 LEU 58 2HD2 LEU 58 104.669 -8.547 -7.011 424 3HD2 LEU 58 3HD2 LEU 58 102.966 -8.266 -7.374 425 H ASP 59 H ASP 59 105.814 -7.963 -12.599 426 HA ASP 59 HA ASP 59 104.482 -8.620 -14.960 427 1HB ASP 59 1HB ASP 59 106.924 -9.019 -14.018 428 2HB ASP 59 2HB ASP 59 106.287 -10.616 -13.623 429 H SER 60 H SER 60 104.715 -10.707 -12.047 430 HA SER 60 HA SER 60 103.181 -12.877 -12.775 431 1HB SER 60 1HB SER 60 103.333 -13.257 -10.540 432 2HB SER 60 2HB SER 60 104.162 -11.708 -10.448 433 HG SER 60 HG SER 60 102.511 -11.067 -9.332 434 H CYS 61 H CYS 61 101.858 -9.842 -11.399 435 HA CYS 61 HA CYS 61 99.095 -10.543 -11.785 436 1HB CYS 61 1HB CYS 61 100.596 -7.924 -11.480 437 2HB CYS 61 2HB CYS 61 98.837 -8.042 -11.440 438 H LYS 62 H LYS 62 101.478 -8.852 -13.792 439 HA LYS 62 HA LYS 62 99.599 -7.985 -15.820 440 1HB LYS 62 1HB LYS 62 101.962 -7.146 -15.183 441 2HB LYS 62 2HB LYS 62 102.559 -8.490 -16.157 442 1HG LYS 62 1HG LYS 62 100.926 -7.562 -17.979 443 2HG LYS 62 2HG LYS 62 100.991 -6.075 -17.031 444 1HD LYS 62 1HD LYS 62 103.036 -5.581 -17.834 445 2HD LYS 62 2HD LYS 62 103.650 -7.168 -17.370 446 1HE LYS 62 1HE LYS 62 101.894 -7.404 -19.671 447 2HE LYS 62 2HE LYS 62 103.214 -6.263 -19.996 448 1HZ LYS 62 1HZ LYS 62 103.922 -8.651 -18.499 449 2HZ LYS 62 2HZ LYS 62 103.517 -8.905 -20.129 450 3HZ LYS 62 3HZ LYS 62 104.780 -7.845 -19.718 451 H VAL 63 H VAL 63 100.847 -11.056 -15.036 452 HA VAL 63 HA VAL 63 100.392 -12.030 -17.839 453 HB VAL 63 HB VAL 63 102.052 -13.215 -15.591 454 1HG1 VAL 63 1HG1 VAL 63 101.312 -14.069 -18.335 455 2HG1 VAL 63 2HG1 VAL 63 103.010 -14.266 -17.901 456 3HG1 VAL 63 3HG1 VAL 63 101.757 -15.043 -16.934 457 1HG2 VAL 63 1HG2 VAL 63 102.580 -11.111 -17.562 458 2HG2 VAL 63 2HG2 VAL 63 103.510 -11.566 -16.134 459 3HG2 VAL 63 3HG2 VAL 63 103.742 -12.436 -17.651 460 H LEU 64 H LEU 64 98.249 -11.643 -15.878 461 HA LEU 64 HA LEU 64 97.490 -14.506 -15.383 462 1HB LEU 64 1HB LEU 64 97.273 -11.978 -13.799 463 2HB LEU 64 2HB LEU 64 95.975 -13.158 -13.629 464 HG LEU 64 HG LEU 64 98.931 -13.646 -13.168 465 1HD1 LEU 64 1HD1 LEU 64 96.955 -12.627 -11.483 466 2HD1 LEU 64 2HD1 LEU 64 97.037 -14.337 -11.058 467 3HD1 LEU 64 3HD1 LEU 64 98.488 -13.338 -10.974 468 1HD2 LEU 64 1HD2 LEU 64 96.574 -15.488 -13.448 469 2HD2 LEU 64 2HD2 LEU 64 98.225 -15.697 -14.031 470 3HD2 LEU 64 3HD2 LEU 64 97.862 -15.907 -12.318 471 H VAL 65 H VAL 65 95.601 -11.497 -15.245 472 HA VAL 65 HA VAL 65 94.167 -12.149 -17.695 473 HB VAL 65 HB VAL 65 92.968 -12.224 -14.937 474 1HG1 VAL 65 1HG1 VAL 65 91.766 -11.714 -17.552 475 2HG1 VAL 65 2HG1 VAL 65 91.044 -13.109 -16.750 476 3HG1 VAL 65 3HG1 VAL 65 91.059 -11.539 -15.945 477 1HG2 VAL 65 1HG2 VAL 65 93.517 -14.304 -17.054 478 2HG2 VAL 65 2HG2 VAL 65 93.977 -14.324 -15.350 479 3HG2 VAL 65 3HG2 VAL 65 92.293 -14.572 -15.814 480 H ASP 66 H ASP 66 95.690 -9.991 -16.299 481 HA ASP 66 HA ASP 66 95.529 -7.647 -15.840 482 1HB ASP 66 1HB ASP 66 94.675 -6.562 -17.947 483 2HB ASP 66 2HB ASP 66 95.831 -7.861 -18.242 484 H ASN 67 H ASN 67 93.662 -8.696 -14.178 485 HA ASN 67 HA ASN 67 91.543 -6.669 -14.207 486 1HB ASN 67 1HB ASN 67 91.120 -8.940 -15.685 487 2HB ASN 67 2HB ASN 67 90.424 -9.402 -14.132 488 1HD2 ASN 67 2HD2 ASN 67 89.710 -7.810 -17.028 489 2HD2 ASN 67 1HD2 ASN 67 88.362 -6.923 -16.503 490 HA PRO 68 HA PRO 68 92.708 -8.249 -10.051 491 1HB PRO 68 1HB PRO 68 93.072 -5.784 -8.928 492 2HB PRO 68 2HB PRO 68 94.349 -6.635 -9.819 493 1HG PRO 68 1HG PRO 68 92.623 -4.384 -10.678 494 2HG PRO 68 2HG PRO 68 94.304 -4.744 -11.092 495 1HD PRO 68 1HD PRO 68 92.130 -5.229 -12.730 496 2HD PRO 68 2HD PRO 68 93.712 -6.022 -12.873 497 H TYR 69 H TYR 69 90.136 -6.729 -11.463 498 HA TYR 69 HA TYR 69 88.679 -6.168 -8.919 499 1HB TYR 69 1HB TYR 69 88.690 -5.218 -11.689 500 2HB TYR 69 2HB TYR 69 87.061 -5.561 -11.107 501 HD1 TYR 69 HD1 TYR 69 90.230 -3.993 -9.808 502 HD2 TYR 69 HD2 TYR 69 85.944 -3.812 -10.034 503 HE1 TYR 69 HE1 TYR 69 90.250 -1.886 -8.501 504 HE2 TYR 69 HE2 TYR 69 85.965 -1.704 -8.727 505 HH TYR 69 HH TYR 69 87.627 0.172 -8.293 506 H THR 70 H THR 70 89.130 -8.899 -9.319 507 HA THR 70 HA THR 70 86.513 -10.001 -9.243 508 HB THR 70 HB THR 70 86.518 -9.419 -11.628 509 HG1 THR 70 HG1 THR 70 85.452 -11.260 -11.446 510 1HG2 THR 70 1HG2 THR 70 89.232 -9.973 -11.455 511 2HG2 THR 70 2HG2 THR 70 88.601 -11.308 -12.421 512 3HG2 THR 70 3HG2 THR 70 88.341 -9.642 -12.941 513 H ASN 71 H ASN 71 89.204 -10.198 -7.975 514 HA ASN 71 HA ASN 71 90.067 -12.969 -8.590 515 1HB ASN 71 1HB ASN 71 91.678 -11.109 -8.257 516 2HB ASN 71 2HB ASN 71 91.065 -10.883 -6.620 517 1HD2 ASN 71 2HD2 ASN 71 92.029 -12.138 -4.998 518 2HD2 ASN 71 1HD2 ASN 71 93.045 -13.466 -5.288 519 H ASN 72 H ASN 72 89.942 -14.659 -7.021 520 HA ASN 72 HA ASN 72 87.654 -14.874 -5.413 521 1HB ASN 72 1HB ASN 72 89.846 -16.408 -6.130 522 2HB ASN 72 2HB ASN 72 90.030 -16.264 -4.381 523 1HD2 ASN 72 2HD2 ASN 72 87.049 -16.473 -6.403 524 2HD2 ASN 72 1HD2 ASN 72 86.429 -17.839 -5.607 525 H TYR 73 H TYR 73 90.965 -13.996 -4.339 526 HA TYR 73 HA TYR 73 91.650 -12.685 -2.490 527 1HB TYR 73 1HB TYR 73 89.530 -11.447 -3.496 528 2HB TYR 73 2HB TYR 73 88.774 -11.987 -1.995 529 HD1 TYR 73 HD1 TYR 73 90.205 -11.578 0.197 530 HD2 TYR 73 HD2 TYR 73 90.721 -9.440 -3.494 531 HE1 TYR 73 HE1 TYR 73 91.321 -9.733 1.421 532 HE2 TYR 73 HE2 TYR 73 91.837 -7.595 -2.268 533 HH TYR 73 HH TYR 73 91.915 -6.689 0.012 534 H SER 74 H SER 74 92.180 -13.586 -0.544 535 HA SER 74 HA SER 74 90.056 -14.912 1.080 536 1HB SER 74 1HB SER 74 92.697 -16.270 0.834 537 2HB SER 74 2HB SER 74 91.090 -16.971 0.997 538 HG SER 74 HG SER 74 91.211 -17.241 -1.079 539 H TYR 75 H TYR 75 90.267 -14.246 3.197 540 HA TYR 75 HA TYR 75 92.930 -13.782 4.357 541 1HB TYR 75 1HB TYR 75 92.760 -11.445 4.547 542 2HB TYR 75 2HB TYR 75 92.061 -11.741 2.957 543 HD1 TYR 75 HD1 TYR 75 89.486 -12.038 2.819 544 HD2 TYR 75 HD2 TYR 75 91.496 -10.355 6.221 545 HE1 TYR 75 HE1 TYR 75 87.357 -11.004 3.566 546 HE2 TYR 75 HE2 TYR 75 89.368 -9.320 6.967 547 HH TYR 75 HH TYR 75 86.852 -8.783 5.146 548 H SER 76 H SER 76 92.609 -12.894 6.696 549 HA SER 76 HA SER 76 90.030 -13.822 7.884 550 1HB SER 76 1HB SER 76 92.677 -15.032 8.026 551 2HB SER 76 2HB SER 76 92.066 -14.638 9.629 552 HG SER 76 HG SER 76 90.569 -16.001 7.640 553 H CYS 77 H CYS 77 90.302 -13.275 10.450 554 HA CYS 77 HA CYS 77 91.860 -10.802 10.889 555 1HB CYS 77 1HB CYS 77 89.849 -10.033 9.748 556 2HB CYS 77 2HB CYS 77 88.828 -10.901 10.887 557 H SER 78 H SER 78 91.571 -10.035 13.139 558 HA SER 78 HA SER 78 90.219 -11.398 15.212 559 1HB SER 78 1HB SER 78 91.305 -13.381 15.286 560 2HB SER 78 2HB SER 78 92.369 -12.866 13.981 561 HG SER 78 HG SER 78 93.775 -13.036 15.576 562 H ASN 79 H ASN 79 90.522 -10.187 17.065 563 HA ASN 79 HA ASN 79 91.400 -8.504 18.471 564 1HB ASN 79 1HB ASN 79 93.886 -9.731 17.239 565 2HB ASN 79 2HB ASN 79 93.928 -8.605 18.597 566 1HD2 ASN 79 2HD2 ASN 79 94.061 -11.846 17.993 567 2HD2 ASN 79 1HD2 ASN 79 93.347 -12.440 19.415 568 H ASN 80 H ASN 80 90.433 -7.474 16.095 569 HA ASN 80 HA ASN 80 90.578 -5.655 14.646 570 1HB ASN 80 1HB ASN 80 92.585 -4.694 16.674 571 2HB ASN 80 2HB ASN 80 91.445 -3.748 15.746 572 1HD2 ASN 80 2HD2 ASN 80 89.179 -5.441 16.136 573 2HD2 ASN 80 1HD2 ASN 80 88.770 -5.324 17.762 574 H GLU 81 H GLU 81 92.188 -7.794 13.900 575 HA GLU 81 HA GLU 81 94.509 -6.397 12.692 576 1HB GLU 81 1HB GLU 81 94.347 -9.211 13.799 577 2HB GLU 81 2HB GLU 81 95.753 -8.535 12.980 578 1HG GLU 81 1HG GLU 81 94.960 -6.684 15.002 579 2HG GLU 81 2HG GLU 81 95.023 -8.285 15.736 580 H ILE 82 H ILE 82 95.342 -8.022 10.789 581 HA ILE 82 HA ILE 82 92.928 -9.111 9.393 582 HB ILE 82 HB ILE 82 94.969 -7.088 8.459 583 1HG1 ILE 82 1HG1 ILE 82 91.940 -7.214 8.550 584 2HG1 ILE 82 2HG1 ILE 82 92.987 -6.174 9.515 585 1HG2 ILE 82 1HG2 ILE 82 93.046 -8.714 6.766 586 2HG2 ILE 82 2HG2 ILE 82 93.991 -7.340 6.193 587 3HG2 ILE 82 3HG2 ILE 82 94.806 -8.814 6.715 588 1HD1 ILE 82 1HD1 ILE 82 92.924 -6.083 6.490 589 2HD1 ILE 82 2HD1 ILE 82 91.903 -5.057 7.499 590 3HD1 ILE 82 3HD1 ILE 82 93.658 -4.915 7.588 591 H THR 83 H THR 83 93.317 -11.122 8.612 592 HA THR 83 HA THR 83 96.160 -12.042 8.399 593 HB THR 83 HB THR 83 93.528 -13.297 9.153 594 HG1 THR 83 HG1 THR 83 96.131 -13.110 10.227 595 1HG2 THR 83 1HG2 THR 83 94.524 -14.764 7.420 596 2HG2 THR 83 2HG2 THR 83 96.024 -14.821 8.348 597 3HG2 THR 83 3HG2 THR 83 94.549 -15.523 9.013 598 H CYS 84 H CYS 84 96.719 -13.356 6.556 599 HA CYS 84 HA CYS 84 94.737 -13.395 4.317 600 1HB CYS 84 1HB CYS 84 96.909 -11.648 4.588 601 2HB CYS 84 2HB CYS 84 97.475 -12.887 3.468 602 H SER 85 H SER 85 94.806 -15.307 3.149 603 HA SER 85 HA SER 85 96.141 -17.607 4.168 604 1HB SER 85 1HB SER 85 94.335 -18.141 2.846 605 2HB SER 85 2HB SER 85 94.610 -16.786 1.754 606 HG SER 85 HG SER 85 95.464 -19.370 1.601 607 H SER 86 H SER 86 98.070 -18.634 3.528 608 HA SER 86 HA SER 86 100.151 -16.948 2.395 609 1HB SER 86 1HB SER 86 101.348 -19.274 2.563 610 2HB SER 86 2HB SER 86 100.829 -18.478 4.046 611 HG SER 86 HG SER 86 99.618 -20.608 2.636 612 H GLU 87 H GLU 87 97.723 -18.886 1.012 613 HA GLU 87 HA GLU 87 99.094 -19.993 -1.260 614 1HB GLU 87 1HB GLU 87 96.289 -19.331 -0.437 615 2HB GLU 87 2HB GLU 87 96.587 -19.736 -2.126 616 1HG GLU 87 1HG GLU 87 97.930 -21.758 -1.099 617 2HG GLU 87 2HG GLU 87 96.927 -21.444 0.318 618 H ASN 88 H ASN 88 97.970 -16.792 -0.486 619 HA ASN 88 HA ASN 88 97.505 -15.595 -2.951 620 1HB ASN 88 1HB ASN 88 99.105 -14.494 -0.622 621 2HB ASN 88 2HB ASN 88 98.208 -13.547 -1.809 622 1HD2 ASN 88 2HD2 ASN 88 97.021 -12.749 0.226 623 2HD2 ASN 88 1HD2 ASN 88 95.724 -13.682 0.798 624 H ASN 89 H ASN 89 98.786 -15.957 -4.754 625 HA ASN 89 HA ASN 89 101.640 -16.420 -4.624 626 1HB ASN 89 1HB ASN 89 101.389 -16.132 -7.129 627 2HB ASN 89 2HB ASN 89 100.286 -17.312 -6.421 628 1HD2 ASN 89 2HD2 ASN 89 99.166 -16.588 -8.638 629 2HD2 ASN 89 1HD2 ASN 89 98.044 -15.322 -8.494 630 H ALA 90 H ALA 90 102.948 -14.875 -6.308 631 HA ALA 90 HA ALA 90 103.626 -12.508 -5.062 632 1HB ALA 90 1HB ALA 90 103.946 -13.798 -7.628 633 2HB ALA 90 2HB ALA 90 103.817 -12.052 -7.848 634 3HB ALA 90 3HB ALA 90 105.063 -12.719 -6.793 635 H CYS 91 H CYS 91 100.820 -13.100 -7.097 636 HA CYS 91 HA CYS 91 100.183 -10.223 -7.322 637 1HB CYS 91 1HB CYS 91 99.848 -12.240 -9.004 638 2HB CYS 91 2HB CYS 91 98.352 -12.470 -8.097 639 H GLU 92 H GLU 92 98.358 -13.086 -6.144 640 HA GLU 92 HA GLU 92 96.334 -11.684 -4.765 641 1HB GLU 92 1HB GLU 92 97.591 -14.372 -4.731 642 2HB GLU 92 2HB GLU 92 96.676 -13.949 -3.285 643 1HG GLU 92 1HG GLU 92 94.920 -13.103 -5.127 644 2HG GLU 92 2HG GLU 92 95.721 -14.354 -6.078 645 H ALA 93 H ALA 93 99.675 -12.206 -3.924 646 HA ALA 93 HA ALA 93 99.365 -11.608 -1.078 647 1HB ALA 93 1HB ALA 93 101.686 -11.831 -3.014 648 2HB ALA 93 2HB ALA 93 101.907 -11.500 -1.296 649 3HB ALA 93 3HB ALA 93 101.170 -13.017 -1.815 650 H PHE 94 H PHE 94 100.767 -9.841 -3.876 651 HA PHE 94 HA PHE 94 101.286 -7.399 -2.494 652 1HB PHE 94 1HB PHE 94 102.070 -8.204 -4.784 653 2HB PHE 94 2HB PHE 94 100.481 -7.740 -5.395 654 HD1 PHE 94 HD1 PHE 94 99.690 -5.301 -4.688 655 HD2 PHE 94 HD2 PHE 94 103.778 -6.612 -4.828 656 HE1 PHE 94 HE1 PHE 94 100.440 -2.944 -4.860 657 HE2 PHE 94 HE2 PHE 94 104.528 -4.254 -4.999 658 HZ PHE 94 HZ PHE 94 102.859 -2.421 -5.015 659 H ILE 95 H ILE 95 98.358 -8.637 -4.065 660 HA ILE 95 HA ILE 95 96.869 -6.155 -3.947 661 HB ILE 95 HB ILE 95 95.953 -9.049 -4.057 662 1HG1 ILE 95 1HG1 ILE 95 97.655 -8.299 -5.805 663 2HG1 ILE 95 2HG1 ILE 95 96.118 -8.880 -6.445 664 1HG2 ILE 95 1HG2 ILE 95 94.543 -6.541 -3.994 665 2HG2 ILE 95 2HG2 ILE 95 94.317 -7.292 -5.573 666 3HG2 ILE 95 3HG2 ILE 95 93.881 -8.171 -4.107 667 1HD1 ILE 95 1HD1 ILE 95 95.979 -6.041 -5.864 668 2HD1 ILE 95 2HD1 ILE 95 97.317 -6.391 -6.959 669 3HD1 ILE 95 3HD1 ILE 95 95.677 -6.881 -7.385 670 H CYS 96 H CYS 96 97.179 -8.974 -1.808 671 HA CYS 96 HA CYS 96 95.123 -8.205 0.063 672 1HB CYS 96 1HB CYS 96 95.879 -10.466 -0.004 673 2HB CYS 96 2HB CYS 96 97.570 -9.983 0.110 674 H ASN 97 H ASN 97 98.481 -7.293 -0.375 675 HA ASN 97 HA ASN 97 98.803 -6.122 2.285 676 1HB ASN 97 1HB ASN 97 100.324 -6.291 -0.299 677 2HB ASN 97 2HB ASN 97 100.847 -5.137 0.926 678 1HD2 ASN 97 2HD2 ASN 97 102.709 -6.986 0.550 679 2HD2 ASN 97 1HD2 ASN 97 102.679 -8.197 1.734 680 H CYS 98 H CYS 98 97.815 -5.004 -0.913 681 HA CYS 98 HA CYS 98 98.079 -2.178 -0.446 682 1HB CYS 98 1HB CYS 98 96.300 -3.861 -2.241 683 2HB CYS 98 2HB CYS 98 96.450 -2.109 -2.380 684 H ASP 99 H ASP 99 95.254 -4.368 -0.232 685 HA ASP 99 HA ASP 99 93.414 -2.407 0.766 686 1HB ASP 99 1HB ASP 99 93.656 -5.384 0.603 687 2HB ASP 99 2HB ASP 99 92.412 -4.725 1.666 688 H ARG 100 H ARG 100 95.571 -4.728 2.403 689 HA ARG 100 HA ARG 100 94.695 -4.135 5.084 690 1HB ARG 100 1HB ARG 100 96.046 -6.114 4.100 691 2HB ARG 100 2HB ARG 100 97.449 -5.054 4.248 692 1HG ARG 100 1HG ARG 100 96.625 -4.694 6.693 693 2HG ARG 100 2HG ARG 100 95.693 -6.166 6.426 694 1HD ARG 100 1HD ARG 100 98.341 -6.632 5.453 695 2HD ARG 100 2HD ARG 100 98.460 -5.967 7.090 696 HE ARG 100 HE ARG 100 96.360 -7.837 7.079 697 1HH1 ARG 100 1HH1 ARG 100 99.506 -7.465 8.049 698 2HH1 ARG 100 2HH1 ARG 100 99.906 -9.150 8.061 699 1HH2 ARG 100 1HH2 ARG 100 96.970 -10.129 6.495 700 2HH2 ARG 100 2HH2 ARG 100 98.470 -10.659 7.181 701 H ASN 101 H ASN 101 97.602 -3.075 3.263 702 HA ASN 101 HA ASN 101 98.670 -1.300 5.179 703 1HB ASN 101 1HB ASN 101 98.673 -1.571 2.194 704 2HB ASN 101 2HB ASN 101 99.381 -0.117 2.897 705 1HD2 ASN 101 2HD2 ASN 101 101.225 -1.595 1.656 706 2HD2 ASN 101 1HD2 ASN 101 102.149 -2.513 2.736 707 H ALA 102 H ALA 102 95.982 -0.898 2.937 708 HA ALA 102 HA ALA 102 95.703 1.981 3.443 709 1HB ALA 102 1HB ALA 102 95.057 0.363 1.401 710 2HB ALA 102 2HB ALA 102 93.532 0.289 2.281 711 3HB ALA 102 3HB ALA 102 94.156 1.843 1.727 712 H ALA 103 H ALA 103 94.027 -1.020 4.407 713 HA ALA 103 HA ALA 103 91.956 0.244 5.956 714 1HB ALA 103 1HB ALA 103 92.398 -2.217 5.027 715 2HB ALA 103 2HB ALA 103 93.088 -2.450 6.633 716 3HB ALA 103 3HB ALA 103 91.401 -1.961 6.460 717 H ILE 104 H ILE 104 95.193 -0.992 6.772 718 HA ILE 104 HA ILE 104 95.035 -0.592 9.610 719 HB ILE 104 HB ILE 104 97.312 -0.653 7.606 720 1HG1 ILE 104 1HG1 ILE 104 96.504 -2.771 9.601 721 2HG1 ILE 104 2HG1 ILE 104 95.750 -2.677 8.009 722 1HG2 ILE 104 1HG2 ILE 104 97.854 0.520 9.796 723 2HG2 ILE 104 2HG2 ILE 104 97.505 -1.006 10.606 724 3HG2 ILE 104 3HG2 ILE 104 98.830 -0.907 9.447 725 1HD1 ILE 104 1HD1 ILE 104 98.750 -2.750 8.371 726 2HD1 ILE 104 2HD1 ILE 104 97.785 -4.216 8.197 727 3HD1 ILE 104 3HD1 ILE 104 97.828 -3.029 6.894 728 H CYS 105 H CYS 105 96.125 1.502 6.938 729 HA CYS 105 HA CYS 105 97.118 3.660 8.534 730 1HB CYS 105 1HB CYS 105 97.293 3.083 5.998 731 2HB CYS 105 2HB CYS 105 95.761 3.941 5.854 732 H PHE 106 H PHE 106 93.894 3.037 7.123 733 HA PHE 106 HA PHE 106 92.601 5.415 7.918 734 1HB PHE 106 1HB PHE 106 91.539 2.577 7.756 735 2HB PHE 106 2HB PHE 106 90.570 4.046 7.649 736 HD1 PHE 106 HD1 PHE 106 92.753 5.612 6.054 737 HD2 PHE 106 HD2 PHE 106 90.917 1.762 5.543 738 HE1 PHE 106 HE1 PHE 106 93.198 5.722 3.615 739 HE2 PHE 106 HE2 PHE 106 91.361 1.873 3.107 740 HZ PHE 106 HZ PHE 106 92.501 3.851 2.142 741 H SER 107 H SER 107 93.062 2.340 9.639 742 HA SER 107 HA SER 107 91.689 3.326 12.054 743 1HB SER 107 1HB SER 107 91.857 1.079 12.728 744 2HB SER 107 2HB SER 107 91.803 0.938 10.974 745 HG SER 107 HG SER 107 94.268 1.227 11.348 746 H LYS 108 H LYS 108 94.798 3.624 10.750 747 HA LYS 108 HA LYS 108 96.137 3.720 13.413 748 1HB LYS 108 1HB LYS 108 96.973 3.578 10.523 749 2HB LYS 108 2HB LYS 108 98.132 4.107 11.744 750 1HG LYS 108 1HG LYS 108 96.568 1.510 11.858 751 2HG LYS 108 2HG LYS 108 98.246 1.652 11.335 752 1HD LYS 108 1HD LYS 108 98.728 2.745 13.584 753 2HD LYS 108 2HD LYS 108 97.113 2.236 14.078 754 1HE LYS 108 1HE LYS 108 97.659 -0.068 13.904 755 2HE LYS 108 2HE LYS 108 99.112 0.267 12.940 756 1HZ LYS 108 1HZ LYS 108 98.834 1.505 15.589 757 2HZ LYS 108 2HZ LYS 108 99.313 -0.120 15.500 758 3HZ LYS 108 3HZ LYS 108 100.245 1.082 14.741 759 H VAL 109 H VAL 109 95.020 5.739 10.780 760 HA VAL 109 HA VAL 109 96.315 8.145 11.989 761 HB VAL 109 HB VAL 109 95.860 9.141 9.817 762 1HG1 VAL 109 1HG1 VAL 109 97.497 6.929 10.216 763 2HG1 VAL 109 2HG1 VAL 109 96.597 6.514 8.757 764 3HG1 VAL 109 3HG1 VAL 109 97.542 8.002 8.817 765 1HG2 VAL 109 1HG2 VAL 109 93.763 7.171 9.805 766 2HG2 VAL 109 2HG2 VAL 109 93.999 8.529 8.704 767 3HG2 VAL 109 3HG2 VAL 109 94.748 6.970 8.356 768 HA PRO 110 HA PRO 110 92.453 9.540 13.560 769 1HB PRO 110 1HB PRO 110 92.738 12.251 13.305 770 2HB PRO 110 2HB PRO 110 93.593 11.297 14.533 771 1HG PRO 110 1HG PRO 110 94.578 12.355 11.933 772 2HG PRO 110 2HG PRO 110 95.411 12.235 13.491 773 1HD PRO 110 1HD PRO 110 95.813 10.495 11.426 774 2HD PRO 110 2HD PRO 110 96.036 10.061 13.136 775 H TYR 111 H TYR 111 90.427 10.585 12.878 776 HA TYR 111 HA TYR 111 90.204 10.778 9.891 777 1HB TYR 111 1HB TYR 111 88.956 8.959 10.918 778 2HB TYR 111 2HB TYR 111 88.237 10.064 12.090 779 HD1 TYR 111 HD1 TYR 111 88.747 10.092 8.370 780 HD2 TYR 111 HD2 TYR 111 86.000 10.523 11.641 781 HE1 TYR 111 HE1 TYR 111 86.922 10.590 6.769 782 HE2 TYR 111 HE2 TYR 111 84.173 11.023 10.040 783 HH TYR 111 HH TYR 111 83.671 11.468 7.905 784 H ASN 112 H ASN 112 89.071 12.559 9.004 785 HA ASN 112 HA ASN 112 88.488 14.799 10.915 786 1HB ASN 112 1HB ASN 112 89.814 14.578 8.239 787 2HB ASN 112 2HB ASN 112 88.942 16.065 8.609 788 1HD2 ASN 112 2HD2 ASN 112 91.790 14.165 9.386 789 2HD2 ASN 112 1HD2 ASN 112 92.480 15.286 10.459 790 H LYS 113 H LYS 113 86.237 14.004 11.067 791 HA LYS 113 HA LYS 113 84.492 13.513 8.898 792 1HB LYS 113 1HB LYS 113 82.749 14.018 10.571 793 2HB LYS 113 2HB LYS 113 84.058 13.091 11.305 794 1HG LYS 113 1HG LYS 113 85.060 15.198 12.145 795 2HG LYS 113 2HG LYS 113 83.712 16.101 11.452 796 1HD LYS 113 1HD LYS 113 83.423 13.901 13.519 797 2HD LYS 113 2HD LYS 113 83.402 15.626 13.885 798 1HE LYS 113 1HE LYS 113 81.200 15.708 13.369 799 2HE LYS 113 2HE LYS 113 81.563 15.136 11.728 800 1HZ LYS 113 1HZ LYS 113 81.921 12.896 13.095 801 2HZ LYS 113 2HZ LYS 113 80.745 13.620 14.080 802 3HZ LYS 113 3HZ LYS 113 80.419 13.333 12.438 803 H GLU 114 H GLU 114 85.751 16.543 10.120 804 HA GLU 114 HA GLU 114 83.774 18.286 9.012 805 1HB GLU 114 1HB GLU 114 85.543 18.694 10.815 806 2HB GLU 114 2HB GLU 114 86.697 18.877 9.493 807 1HG GLU 114 1HG GLU 114 86.058 21.071 9.621 808 2HG GLU 114 2HG GLU 114 84.725 20.509 8.611 809 H HIS 115 H HIS 115 86.746 16.866 7.708 810 HA HIS 115 HA HIS 115 86.721 18.510 5.287 811 1HB HIS 115 1HB HIS 115 88.281 16.258 6.473 812 2HB HIS 115 2HB HIS 115 88.404 16.498 4.732 813 HD1 HIS 115 HD1 HIS 115 90.568 17.189 7.126 814 HD2 HIS 115 HD2 HIS 115 88.340 19.859 4.827 815 HE1 HIS 115 HE1 HIS 115 91.812 19.394 7.185 816 H LYS 116 H LYS 116 84.681 16.103 6.269 817 HA LYS 116 HA LYS 116 84.526 14.252 4.145 818 1HB LYS 116 1HB LYS 116 83.332 14.553 6.470 819 2HB LYS 116 2HB LYS 116 82.126 15.425 5.525 820 1HG LYS 116 1HG LYS 116 82.238 13.336 3.952 821 2HG LYS 116 2HG LYS 116 82.926 12.536 5.366 822 1HD LYS 116 1HD LYS 116 80.566 14.140 6.019 823 2HD LYS 116 2HD LYS 116 80.216 12.861 4.856 824 1HE LYS 116 1HE LYS 116 81.698 11.416 6.557 825 2HE LYS 116 2HE LYS 116 81.105 12.636 7.701 826 1HZ LYS 116 1HZ LYS 116 79.205 11.538 5.767 827 2HZ LYS 116 2HZ LYS 116 79.655 10.540 7.062 828 3HZ LYS 116 3HZ LYS 116 78.947 12.055 7.365 829 H ASN 117 H ASN 117 83.701 14.416 2.064 830 HA ASN 117 HA ASN 117 82.769 15.405 0.129 831 1HB ASN 117 1HB ASN 117 81.342 17.165 2.139 832 2HB ASN 117 2HB ASN 117 80.771 16.678 0.542 833 1HD2 ASN 117 2HD2 ASN 117 80.617 15.886 3.855 834 2HD2 ASN 117 1HD2 ASN 117 79.986 14.317 3.698 835 H LEU 118 H LEU 118 85.245 16.330 0.410 836 HA LEU 118 HA LEU 118 85.451 19.154 0.886 837 1HB LEU 118 1HB LEU 118 87.345 17.917 1.404 838 2HB LEU 118 2HB LEU 118 87.081 16.811 0.078 839 HG LEU 118 HG LEU 118 87.671 18.723 -1.468 840 1HD1 LEU 118 1HD1 LEU 118 87.530 20.293 0.708 841 2HD1 LEU 118 2HD1 LEU 118 89.237 19.858 0.809 842 3HD1 LEU 118 3HD1 LEU 118 88.617 20.667 -0.630 843 1HD2 LEU 118 1HD2 LEU 118 89.298 16.916 0.069 844 2HD2 LEU 118 2HD2 LEU 118 89.521 17.452 -1.596 845 3HD2 LEU 118 3HD2 LEU 118 90.206 18.388 -0.267 846 H ASP 119 H ASP 119 86.466 20.490 -0.951 847 HA ASP 119 HA ASP 119 84.808 20.168 -3.392 848 1HB ASP 119 1HB ASP 119 84.958 22.290 -2.008 849 2HB ASP 119 2HB ASP 119 86.627 22.444 -2.558 850 H LYS 120 H LYS 120 85.710 19.403 -5.254 851 HA LYS 120 HA LYS 120 88.353 18.445 -5.477 852 1HB LYS 120 1HB LYS 120 86.422 19.356 -7.630 853 2HB LYS 120 2HB LYS 120 87.746 18.211 -7.848 854 1HG LYS 120 1HG LYS 120 86.651 16.811 -6.011 855 2HG LYS 120 2HG LYS 120 85.242 17.856 -6.190 856 1HD LYS 120 1HD LYS 120 84.588 16.744 -8.032 857 2HD LYS 120 2HD LYS 120 86.162 16.994 -8.788 858 1HE LYS 120 1HE LYS 120 85.885 14.900 -6.642 859 2HE LYS 120 2HE LYS 120 85.376 14.533 -8.303 860 1HZ LYS 120 1HZ LYS 120 87.634 15.743 -8.834 861 2HZ LYS 120 2HZ LYS 120 88.040 15.190 -7.279 862 3HZ LYS 120 3HZ LYS 120 87.591 14.081 -8.482 863 H LYS 121 H LYS 121 87.191 21.670 -5.639 864 HA LYS 121 HA LYS 121 88.956 22.870 -7.519 865 1HB LYS 121 1HB LYS 121 87.084 23.583 -5.469 866 2HB LYS 121 2HB LYS 121 88.518 24.596 -5.296 867 1HG LYS 121 1HG LYS 121 87.440 25.843 -6.884 868 2HG LYS 121 2HG LYS 121 88.245 24.706 -7.965 869 1HD LYS 121 1HD LYS 121 86.210 23.249 -7.859 870 2HD LYS 121 2HD LYS 121 85.408 24.507 -6.919 871 1HE LYS 121 1HE LYS 121 84.934 25.688 -8.795 872 2HE LYS 121 2HE LYS 121 86.626 25.612 -9.328 873 1HZ LYS 121 1HZ LYS 121 85.132 23.117 -9.408 874 2HZ LYS 121 2HZ LYS 121 84.676 24.284 -10.551 875 3HZ LYS 121 3HZ LYS 121 86.280 23.730 -10.500 876 H ASN 122 H ASN 122 89.589 21.438 -4.513 877 HA ASN 122 HA ASN 122 92.146 22.905 -4.094 878 1HB ASN 122 1HB ASN 122 90.311 21.093 -2.585 879 2HB ASN 122 2HB ASN 122 92.014 21.061 -2.148 880 1HD2 ASN 122 2HD2 ASN 122 89.074 22.812 -1.762 881 2HD2 ASN 122 1HD2 ASN 122 89.724 24.177 -0.992 882 H CYS 123 H CYS 123 90.839 20.236 -5.635 883 HA CYS 123 HA CYS 123 93.379 18.673 -5.594 884 1HB CYS 123 1HB CYS 123 90.455 18.172 -5.824 885 2HB CYS 123 2HB CYS 123 91.508 17.088 -6.713 Start of MODEL 19 1 1H ALA 1 1H ALA 1 84.826 -9.061 -3.441 2 2H ALA 1 2H ALA 1 83.663 -9.061 -4.680 3 3H ALA 1 3H ALA 1 84.858 -10.268 -4.633 4 HA ALA 1 HA ALA 1 86.518 -8.873 -5.392 5 1HB ALA 1 1HB ALA 1 84.676 -9.329 -7.019 6 2HB ALA 1 2HB ALA 1 83.914 -7.813 -6.539 7 3HB ALA 1 3HB ALA 1 85.486 -7.796 -7.339 8 H LEU 2 H LEU 2 83.743 -6.942 -4.238 9 HA LEU 2 HA LEU 2 85.635 -4.670 -3.729 10 1HB LEU 2 1HB LEU 2 83.175 -4.892 -5.111 11 2HB LEU 2 2HB LEU 2 82.819 -4.009 -3.627 12 HG LEU 2 HG LEU 2 85.293 -3.208 -5.062 13 1HD1 LEU 2 1HD1 LEU 2 82.609 -3.192 -6.297 14 2HD1 LEU 2 2HD1 LEU 2 83.445 -1.640 -6.330 15 3HD1 LEU 2 3HD1 LEU 2 84.197 -3.062 -7.054 16 1HD2 LEU 2 1HD2 LEU 2 83.949 -2.242 -2.935 17 2HD2 LEU 2 2HD2 LEU 2 84.891 -1.203 -4.005 18 3HD2 LEU 2 3HD2 LEU 2 83.144 -1.327 -4.210 19 H TRP 3 H TRP 3 82.954 -6.579 -2.385 20 HA TRP 3 HA TRP 3 82.665 -5.219 0.105 21 1HB TRP 3 1HB TRP 3 81.574 -7.322 0.766 22 2HB TRP 3 2HB TRP 3 81.136 -6.917 -0.894 23 HD1 TRP 3 HD1 TRP 3 82.238 -8.346 -2.855 24 HE1 TRP 3 HE1 TRP 3 83.320 -10.687 -2.869 25 HE3 TRP 3 HE3 TRP 3 82.980 -9.012 2.155 26 HZ2 TRP 3 HZ2 TRP 3 84.361 -12.588 -1.007 27 HZ3 TRP 3 HZ3 TRP 3 84.018 -11.095 3.005 28 HH2 TRP 3 HH2 TRP 3 84.709 -12.882 1.431 29 H GLN 4 H GLN 4 85.195 -7.277 -1.075 30 HA GLN 4 HA GLN 4 86.164 -8.362 1.397 31 1HB GLN 4 1HB GLN 4 87.741 -7.569 -1.069 32 2HB GLN 4 2HB GLN 4 88.125 -8.856 0.074 33 1HG GLN 4 1HG GLN 4 85.446 -9.219 -0.934 34 2HG GLN 4 2HG GLN 4 86.576 -9.069 -2.282 35 1HE2 GLN 4 2HE2 GLN 4 87.052 -11.191 -2.910 36 2HE2 GLN 4 1HE2 GLN 4 87.514 -12.431 -1.847 37 H PHE 5 H PHE 5 86.933 -5.338 -0.342 38 HA PHE 5 HA PHE 5 89.054 -4.434 1.315 39 1HB PHE 5 1HB PHE 5 88.267 -3.526 -0.898 40 2HB PHE 5 2HB PHE 5 86.899 -2.796 -0.057 41 HD1 PHE 5 HD1 PHE 5 90.408 -3.153 1.161 42 HD2 PHE 5 HD2 PHE 5 87.351 -0.473 -0.229 43 HE1 PHE 5 HE1 PHE 5 91.822 -1.215 1.789 44 HE2 PHE 5 HE2 PHE 5 88.766 1.465 0.399 45 HZ PHE 5 HZ PHE 5 91.001 1.093 1.407 46 H ASN 6 H ASN 6 85.688 -3.189 1.445 47 HA ASN 6 HA ASN 6 85.854 -1.836 3.891 48 1HB ASN 6 1HB ASN 6 83.751 -3.151 2.247 49 2HB ASN 6 2HB ASN 6 83.304 -2.740 3.903 50 1HD2 ASN 6 2HD2 ASN 6 81.825 -1.120 2.696 51 2HD2 ASN 6 1HD2 ASN 6 82.495 0.383 2.283 52 H GLY 7 H GLY 7 85.769 -5.281 3.326 53 1HA GLY 7 1HA GLY 7 84.847 -6.073 5.941 54 2HA GLY 7 2HA GLY 7 85.731 -7.101 4.814 55 H MET 8 H MET 8 88.102 -5.642 4.537 56 HA MET 8 HA MET 8 89.588 -6.449 6.845 57 1HB MET 8 1HB MET 8 90.183 -4.471 4.618 58 2HB MET 8 2HB MET 8 91.395 -5.157 5.699 59 1HG MET 8 1HG MET 8 89.608 -7.098 4.332 60 2HG MET 8 2HG MET 8 90.777 -6.263 3.311 61 1HE MET 8 1HE MET 8 91.768 -7.959 2.563 62 2HE MET 8 2HE MET 8 93.412 -7.642 3.113 63 3HE MET 8 3HE MET 8 92.690 -9.240 3.348 64 H ILE 9 H ILE 9 88.538 -3.201 5.758 65 HA ILE 9 HA ILE 9 89.645 -1.725 7.934 66 HB ILE 9 HB ILE 9 87.171 -1.236 6.243 67 1HG1 ILE 9 1HG1 ILE 9 90.019 -0.278 5.825 68 2HG1 ILE 9 2HG1 ILE 9 89.331 -1.679 5.002 69 1HG2 ILE 9 1HG2 ILE 9 88.841 0.509 8.048 70 2HG2 ILE 9 2HG2 ILE 9 87.928 1.202 6.707 71 3HG2 ILE 9 3HG2 ILE 9 87.086 0.341 7.996 72 1HD1 ILE 9 1HD1 ILE 9 87.754 0.846 4.903 73 2HD1 ILE 9 2HD1 ILE 9 89.233 0.789 3.943 74 3HD1 ILE 9 3HD1 ILE 9 87.959 -0.401 3.672 75 H LYS 10 H LYS 10 86.596 -3.500 7.605 76 HA LYS 10 HA LYS 10 85.301 -2.450 9.949 77 1HB LYS 10 1HB LYS 10 85.063 -4.798 8.115 78 2HB LYS 10 2HB LYS 10 84.205 -4.881 9.654 79 1HG LYS 10 1HG LYS 10 83.996 -2.476 7.838 80 2HG LYS 10 2HG LYS 10 82.915 -3.861 7.684 81 1HD LYS 10 1HD LYS 10 83.324 -2.529 10.355 82 2HD LYS 10 2HD LYS 10 82.163 -1.881 9.195 83 1HE LYS 10 1HE LYS 10 80.979 -4.031 9.125 84 2HE LYS 10 2HE LYS 10 82.173 -4.739 10.232 85 1HZ LYS 10 1HZ LYS 10 80.954 -2.206 11.020 86 2HZ LYS 10 2HZ LYS 10 79.969 -3.587 11.111 87 3HZ LYS 10 3HZ LYS 10 81.428 -3.522 11.980 88 H CYS 11 H CYS 11 87.666 -5.025 9.449 89 HA CYS 11 HA CYS 11 87.393 -6.329 11.969 90 1HB CYS 11 1HB CYS 11 88.556 -7.236 9.995 91 2HB CYS 11 2HB CYS 11 89.767 -5.961 10.118 92 H LYS 12 H LYS 12 89.739 -3.890 10.844 93 HA LYS 12 HA LYS 12 91.002 -3.455 13.380 94 1HB LYS 12 1HB LYS 12 90.615 -1.556 11.041 95 2HB LYS 12 2HB LYS 12 91.904 -1.482 12.245 96 1HG LYS 12 1HG LYS 12 91.715 -4.113 10.984 97 2HG LYS 12 2HG LYS 12 92.029 -2.829 9.816 98 1HD LYS 12 1HD LYS 12 94.113 -2.426 10.632 99 2HD LYS 12 2HD LYS 12 93.595 -2.620 12.307 100 1HE LYS 12 1HE LYS 12 93.385 -5.173 11.629 101 2HE LYS 12 2HE LYS 12 94.548 -4.707 10.371 102 1HZ LYS 12 1HZ LYS 12 94.827 -4.130 13.276 103 2HZ LYS 12 2HZ LYS 12 95.679 -5.332 12.430 104 3HZ LYS 12 3HZ LYS 12 95.937 -3.696 12.064 105 H ILE 13 H ILE 13 88.109 -2.078 11.888 106 HA ILE 13 HA ILE 13 87.495 -0.709 14.478 107 HB ILE 13 HB ILE 13 87.221 0.444 11.681 108 1HG1 ILE 13 1HG1 ILE 13 89.121 1.268 13.896 109 2HG1 ILE 13 2HG1 ILE 13 89.584 0.195 12.574 110 1HG2 ILE 13 1HG2 ILE 13 86.077 1.144 14.245 111 2HG2 ILE 13 2HG2 ILE 13 87.127 2.440 13.671 112 3HG2 ILE 13 3HG2 ILE 13 85.790 1.878 12.666 113 1HD1 ILE 13 1HD1 ILE 13 88.697 2.052 11.010 114 2HD1 ILE 13 2HD1 ILE 13 88.761 3.095 12.431 115 3HD1 ILE 13 3HD1 ILE 13 90.235 2.342 11.822 116 HA PRO 14 HA PRO 14 83.930 -3.152 12.887 117 1HB PRO 14 1HB PRO 14 83.347 -4.368 15.262 118 2HB PRO 14 2HB PRO 14 84.546 -5.008 14.121 119 1HG PRO 14 1HG PRO 14 84.951 -3.511 16.647 120 2HG PRO 14 2HG PRO 14 85.928 -4.796 15.924 121 1HD PRO 14 1HD PRO 14 86.539 -2.102 15.841 122 2HD PRO 14 2HD PRO 14 87.177 -3.327 14.724 123 H SER 15 H SER 15 84.417 -0.971 15.567 124 HA SER 15 HA SER 15 81.583 -0.672 16.230 125 1HB SER 15 1HB SER 15 82.507 1.167 17.645 126 2HB SER 15 2HB SER 15 83.377 -0.349 17.866 127 HG SER 15 HG SER 15 84.329 2.001 17.101 128 H SER 16 H SER 16 83.582 0.501 13.722 129 HA SER 16 HA SER 16 81.626 2.711 13.178 130 1HB SER 16 1HB SER 16 84.297 2.930 13.834 131 2HB SER 16 2HB SER 16 84.342 2.971 12.074 132 HG SER 16 HG SER 16 83.345 4.792 13.879 133 H GLU 17 H GLU 17 80.986 2.930 10.996 134 HA GLU 17 HA GLU 17 81.589 0.589 9.258 135 1HB GLU 17 1HB GLU 17 79.496 2.781 9.292 136 2HB GLU 17 2HB GLU 17 79.610 1.591 7.996 137 1HG GLU 17 1HG GLU 17 78.198 0.388 9.324 138 2HG GLU 17 2HG GLU 17 79.684 -0.041 10.172 139 HA PRO 18 HA PRO 18 84.297 3.290 6.961 140 1HB PRO 18 1HB PRO 18 84.923 1.490 4.998 141 2HB PRO 18 2HB PRO 18 85.641 1.437 6.619 142 1HG PRO 18 1HG PRO 18 83.431 -0.194 5.477 143 2HG PRO 18 2HG PRO 18 84.740 -0.673 6.567 144 1HD PRO 18 1HD PRO 18 82.185 -0.191 7.397 145 2HD PRO 18 2HD PRO 18 83.613 0.018 8.435 146 H LEU 19 H LEU 19 81.733 1.345 5.434 147 HA LEU 19 HA LEU 19 81.610 2.914 2.997 148 1HB LEU 19 1HB LEU 19 79.446 1.641 2.764 149 2HB LEU 19 2HB LEU 19 80.834 0.612 3.113 150 HG LEU 19 HG LEU 19 79.619 1.580 5.566 151 1HD1 LEU 19 1HD1 LEU 19 77.763 1.087 3.511 152 2HD1 LEU 19 2HD1 LEU 19 77.758 -0.373 4.501 153 3HD1 LEU 19 3HD1 LEU 19 77.423 1.193 5.239 154 1HD2 LEU 19 1HD2 LEU 19 80.879 -0.744 4.470 155 2HD2 LEU 19 2HD2 LEU 19 80.524 -0.394 6.162 156 3HD2 LEU 19 3HD2 LEU 19 79.336 -1.237 5.167 157 H LEU 20 H LEU 20 80.727 3.639 6.173 158 HA LEU 20 HA LEU 20 78.624 5.573 5.252 159 1HB LEU 20 1HB LEU 20 79.099 4.240 7.940 160 2HB LEU 20 2HB LEU 20 77.782 5.358 7.578 161 HG LEU 20 HG LEU 20 78.210 2.871 5.927 162 1HD1 LEU 20 1HD1 LEU 20 77.397 3.026 8.704 163 2HD1 LEU 20 2HD1 LEU 20 76.072 2.428 7.706 164 3HD1 LEU 20 3HD1 LEU 20 77.629 1.598 7.694 165 1HD2 LEU 20 1HD2 LEU 20 76.523 5.072 5.713 166 2HD2 LEU 20 2HD2 LEU 20 76.282 3.513 4.924 167 3HD2 LEU 20 3HD2 LEU 20 75.503 3.848 6.470 168 H ASP 21 H ASP 21 81.814 5.370 6.244 169 HA ASP 21 HA ASP 21 81.756 8.204 7.212 170 1HB ASP 21 1HB ASP 21 82.892 5.713 8.432 171 2HB ASP 21 2HB ASP 21 83.744 7.235 8.689 172 H PHE 22 H PHE 22 84.276 5.731 6.616 173 HA PHE 22 HA PHE 22 86.103 7.597 5.411 174 1HB PHE 22 1HB PHE 22 85.945 4.579 5.144 175 2HB PHE 22 2HB PHE 22 87.389 5.576 4.973 176 HD1 PHE 22 HD1 PHE 22 86.046 7.386 7.398 177 HD2 PHE 22 HD2 PHE 22 87.390 3.338 6.877 178 HE1 PHE 22 HE1 PHE 22 86.456 7.208 9.837 179 HE2 PHE 22 HE2 PHE 22 87.799 3.162 9.316 180 HZ PHE 22 HZ PHE 22 87.332 5.096 10.796 181 H ASN 23 H ASN 23 83.268 6.173 4.189 182 HA ASN 23 HA ASN 23 83.956 5.646 1.464 183 1HB ASN 23 1HB ASN 23 81.548 5.754 1.147 184 2HB ASN 23 2HB ASN 23 81.861 5.028 2.724 185 1HD2 ASN 23 2HD2 ASN 23 80.472 7.802 1.100 186 2HD2 ASN 23 1HD2 ASN 23 79.930 8.596 2.499 187 H ASN 24 H ASN 24 84.069 7.015 -0.327 188 HA ASN 24 HA ASN 24 84.630 9.059 -1.385 189 1HB ASN 24 1HB ASN 24 82.083 10.041 -0.143 190 2HB ASN 24 2HB ASN 24 82.627 10.147 -1.812 191 1HD2 ASN 24 2HD2 ASN 24 80.028 9.057 -0.810 192 2HD2 ASN 24 1HD2 ASN 24 79.961 7.454 -1.363 193 H TYR 25 H TYR 25 86.427 9.749 -0.037 194 HA TYR 25 HA TYR 25 85.780 12.168 1.559 195 1HB TYR 25 1HB TYR 25 85.728 10.548 3.275 196 2HB TYR 25 2HB TYR 25 87.022 9.601 2.542 197 HD1 TYR 25 HD1 TYR 25 89.373 10.375 2.664 198 HD2 TYR 25 HD2 TYR 25 86.206 12.452 4.682 199 HE1 TYR 25 HE1 TYR 25 91.045 11.575 4.046 200 HE2 TYR 25 HE2 TYR 25 87.876 13.656 6.065 201 HH TYR 25 HH TYR 25 90.550 12.922 6.766 202 H GLY 26 H GLY 26 87.784 13.442 2.004 203 1HA GLY 26 1HA GLY 26 89.674 14.511 1.066 204 2HA GLY 26 2HA GLY 26 90.382 12.905 1.227 205 H CYS 27 H CYS 27 91.568 13.640 -0.754 206 HA CYS 27 HA CYS 27 90.026 13.777 -3.263 207 1HB CYS 27 1HB CYS 27 93.011 13.682 -2.725 208 2HB CYS 27 2HB CYS 27 92.232 14.221 -4.212 209 H TYR 28 H TYR 28 91.932 11.407 -1.477 210 HA TYR 28 HA TYR 28 91.916 9.552 -3.798 211 1HB TYR 28 1HB TYR 28 93.194 9.493 -1.048 212 2HB TYR 28 2HB TYR 28 93.440 8.260 -2.287 213 HD1 TYR 28 HD1 TYR 28 94.355 8.991 -4.563 214 HD2 TYR 28 HD2 TYR 28 94.441 11.508 -1.084 215 HE1 TYR 28 HE1 TYR 28 96.093 10.403 -5.628 216 HE2 TYR 28 HE2 TYR 28 96.177 12.922 -2.151 217 HH TYR 28 HH TYR 28 97.793 11.970 -5.060 218 H CYS 29 H CYS 29 91.019 9.427 -0.310 219 HA CYS 29 HA CYS 29 89.764 6.927 -0.259 220 1HB CYS 29 1HB CYS 29 88.887 9.506 1.080 221 2HB CYS 29 2HB CYS 29 88.479 7.880 1.622 222 H GLY 30 H GLY 30 88.655 6.555 -2.284 223 1HA GLY 30 1HA GLY 30 86.060 6.515 -2.624 224 2HA GLY 30 2HA GLY 30 86.259 8.261 -2.777 225 H LEU 31 H LEU 31 85.329 6.328 -4.815 226 HA LEU 31 HA LEU 31 87.267 5.693 -6.775 227 1HB LEU 31 1HB LEU 31 84.700 5.226 -6.528 228 2HB LEU 31 2HB LEU 31 84.515 6.724 -7.440 229 HG LEU 31 HG LEU 31 86.440 4.676 -8.462 230 1HD1 LEU 31 1HD1 LEU 31 83.776 3.995 -7.875 231 2HD1 LEU 31 2HD1 LEU 31 83.793 4.338 -9.606 232 3HD1 LEU 31 3HD1 LEU 31 84.879 3.120 -8.938 233 1HD2 LEU 31 1HD2 LEU 31 85.524 7.137 -9.322 234 2HD2 LEU 31 2HD2 LEU 31 86.292 5.928 -10.351 235 3HD2 LEU 31 3HD2 LEU 31 84.533 6.016 -10.255 236 H GLY 32 H GLY 32 85.041 8.494 -6.992 237 1HA GLY 32 1HA GLY 32 86.658 9.851 -8.941 238 2HA GLY 32 2HA GLY 32 85.347 10.586 -8.017 239 H GLY 33 H GLY 33 87.245 12.327 -8.262 240 1HA GLY 33 1HA GLY 33 88.358 13.745 -6.656 241 2HA GLY 33 2HA GLY 33 88.611 12.334 -5.626 242 H SER 34 H SER 34 90.625 14.268 -6.555 243 HA SER 34 HA SER 34 92.780 12.522 -7.138 244 1HB SER 34 1HB SER 34 91.060 13.314 -9.390 245 2HB SER 34 2HB SER 34 92.772 13.622 -9.672 246 HG SER 34 HG SER 34 91.755 11.411 -10.108 247 H GLY 35 H GLY 35 94.433 13.750 -6.345 248 1HA GLY 35 1HA GLY 35 95.688 15.921 -7.248 249 2HA GLY 35 2HA GLY 35 94.266 16.701 -6.551 250 H THR 36 H THR 36 96.470 17.532 -5.377 251 HA THR 36 HA THR 36 97.851 16.154 -3.426 252 HB THR 36 HB THR 36 96.515 18.846 -3.023 253 HG1 THR 36 HG1 THR 36 98.243 19.661 -4.210 254 1HG2 THR 36 1HG2 THR 36 99.071 17.574 -2.027 255 2HG2 THR 36 2HG2 THR 36 98.753 19.304 -1.910 256 3HG2 THR 36 3HG2 THR 36 97.712 18.158 -1.066 257 HA PRO 37 HA PRO 37 94.763 14.544 -0.717 258 1HB PRO 37 1HB PRO 37 96.384 14.024 1.431 259 2HB PRO 37 2HB PRO 37 96.358 13.017 -0.030 260 1HG PRO 37 1HG PRO 37 98.288 15.143 0.767 261 2HG PRO 37 2HG PRO 37 98.589 13.577 -0.005 262 1HD PRO 37 1HD PRO 37 98.564 15.913 -1.379 263 2HD PRO 37 2HD PRO 37 98.083 14.362 -2.104 264 H VAL 38 H VAL 38 94.050 14.981 1.676 265 HA VAL 38 HA VAL 38 94.453 17.896 2.268 266 HB VAL 38 HB VAL 38 92.124 17.946 2.877 267 1HG1 VAL 38 1HG1 VAL 38 92.874 17.684 0.369 268 2HG1 VAL 38 2HG1 VAL 38 92.072 16.118 0.494 269 3HG1 VAL 38 3HG1 VAL 38 91.161 17.601 0.779 270 1HG2 VAL 38 1HG2 VAL 38 92.266 14.929 2.599 271 2HG2 VAL 38 2HG2 VAL 38 91.972 15.840 4.079 272 3HG2 VAL 38 3HG2 VAL 38 90.764 15.831 2.795 273 H ASP 39 H ASP 39 93.738 14.711 3.750 274 HA ASP 39 HA ASP 39 95.023 15.734 6.261 275 1HB ASP 39 1HB ASP 39 92.428 15.510 6.110 276 2HB ASP 39 2HB ASP 39 92.733 13.775 6.209 277 H ASP 40 H ASP 40 95.356 13.623 7.753 278 HA ASP 40 HA ASP 40 97.312 11.978 6.442 279 1HB ASP 40 1HB ASP 40 95.825 11.911 9.076 280 2HB ASP 40 2HB ASP 40 97.037 10.695 8.670 281 H LEU 41 H LEU 41 93.923 11.363 7.424 282 HA LEU 41 HA LEU 41 93.789 8.611 6.752 283 1HB LEU 41 1HB LEU 41 92.105 10.198 7.904 284 2HB LEU 41 2HB LEU 41 91.594 10.637 6.273 285 HG LEU 41 HG LEU 41 90.988 8.354 5.771 286 1HD1 LEU 41 1HD1 LEU 41 92.410 7.795 8.367 287 2HD1 LEU 41 2HD1 LEU 41 91.199 6.673 7.748 288 3HD1 LEU 41 3HD1 LEU 41 92.639 7.028 6.796 289 1HD2 LEU 41 1HD2 LEU 41 89.915 9.767 8.089 290 2HD2 LEU 41 2HD2 LEU 41 89.057 8.918 6.802 291 3HD2 LEU 41 3HD2 LEU 41 89.654 8.026 8.201 292 H ASP 42 H ASP 42 93.234 11.498 4.728 293 HA ASP 42 HA ASP 42 92.544 10.155 2.307 294 1HB ASP 42 1HB ASP 42 92.413 12.634 2.979 295 2HB ASP 42 2HB ASP 42 94.126 12.724 2.568 296 H ARG 43 H ARG 43 95.690 11.120 3.668 297 HA ARG 43 HA ARG 43 97.384 10.482 1.503 298 1HB ARG 43 1HB ARG 43 97.562 10.500 4.502 299 2HB ARG 43 2HB ARG 43 98.931 9.894 3.570 300 1HG ARG 43 1HG ARG 43 97.911 12.355 2.426 301 2HG ARG 43 2HG ARG 43 98.341 12.577 4.122 302 1HD ARG 43 1HD ARG 43 100.238 12.928 2.449 303 2HD ARG 43 2HD ARG 43 100.584 11.765 3.735 304 HE ARG 43 HE ARG 43 99.396 10.303 1.679 305 1HH1 ARG 43 1HH2 ARG 43 102.060 9.533 2.586 306 2HH1 ARG 43 2HH2 ARG 43 103.073 9.906 1.231 307 1HH2 ARG 43 2HH1 ARG 43 100.734 11.970 -0.285 308 2HH2 ARG 43 1HH1 ARG 43 102.321 11.285 -0.396 309 H CYS 44 H CYS 44 95.939 8.409 3.983 310 HA CYS 44 HA CYS 44 97.349 6.020 3.411 311 1HB CYS 44 1HB CYS 44 94.531 6.521 4.409 312 2HB CYS 44 2HB CYS 44 95.392 4.990 4.566 313 H CYS 45 H CYS 45 94.323 7.342 2.076 314 HA CYS 45 HA CYS 45 93.667 5.099 0.406 315 1HB CYS 45 1HB CYS 45 93.059 8.066 0.303 316 2HB CYS 45 2HB CYS 45 92.293 6.885 -0.762 317 H GLN 46 H GLN 46 95.503 8.102 -0.241 318 HA GLN 46 HA GLN 46 95.975 7.754 -3.005 319 1HB GLN 46 1HB GLN 46 96.570 9.758 -1.733 320 2HB GLN 46 2HB GLN 46 97.738 8.838 -0.783 321 1HG GLN 46 1HG GLN 46 99.035 8.362 -2.826 322 2HG GLN 46 2HG GLN 46 97.870 9.277 -3.781 323 1HE2 GLN 46 2HE2 GLN 46 100.295 10.311 -4.052 324 2HE2 GLN 46 1HE2 GLN 46 100.538 11.676 -3.082 325 H THR 47 H THR 47 97.692 6.418 -0.198 326 HA THR 47 HA THR 47 99.766 5.087 -1.632 327 HB THR 47 HB THR 47 98.417 4.467 1.013 328 HG1 THR 47 HG1 THR 47 99.264 6.360 1.398 329 1HG2 THR 47 1HG2 THR 47 99.883 2.654 0.014 330 2HG2 THR 47 2HG2 THR 47 101.229 3.788 0.126 331 3HG2 THR 47 3HG2 THR 47 100.403 3.252 1.589 332 H HIS 48 H HIS 48 96.444 4.228 -0.841 333 HA HIS 48 HA HIS 48 96.610 1.419 -1.506 334 1HB HIS 48 1HB HIS 48 94.837 2.513 -0.137 335 2HB HIS 48 2HB HIS 48 94.287 3.379 -1.571 336 HD1 HIS 48 HD1 HIS 48 92.190 2.281 -2.345 337 HD2 HIS 48 HD2 HIS 48 95.035 -0.524 -1.151 338 HE1 HIS 48 HE1 HIS 48 91.197 0.003 -2.830 339 H ASP 49 H ASP 49 95.300 4.227 -3.294 340 HA ASP 49 HA ASP 49 94.797 2.938 -5.748 341 1HB ASP 49 1HB ASP 49 95.698 5.760 -5.086 342 2HB ASP 49 2HB ASP 49 94.987 5.277 -6.625 343 H ASN 50 H ASN 50 97.709 4.605 -4.570 344 HA ASN 50 HA ASN 50 99.343 4.262 -6.862 345 1HB ASN 50 1HB ASN 50 99.710 4.703 -3.920 346 2HB ASN 50 2HB ASN 50 101.133 4.361 -4.901 347 1HD2 ASN 50 2HD2 ASN 50 100.564 6.941 -3.618 348 2HD2 ASN 50 1HD2 ASN 50 100.395 8.083 -4.863 349 H CYS 51 H CYS 51 98.464 2.088 -4.250 350 HA CYS 51 HA CYS 51 100.541 0.114 -4.763 351 1HB CYS 51 1HB CYS 51 99.076 0.609 -2.657 352 2HB CYS 51 2HB CYS 51 97.861 -0.382 -3.464 353 H TYR 52 H TYR 52 97.152 0.561 -5.758 354 HA TYR 52 HA TYR 52 96.802 -1.956 -7.084 355 1HB TYR 52 1HB TYR 52 95.562 0.762 -7.074 356 2HB TYR 52 2HB TYR 52 95.143 -0.311 -8.410 357 HD1 TYR 52 HD1 TYR 52 95.825 -0.889 -4.761 358 HD2 TYR 52 HD2 TYR 52 93.071 -1.309 -8.031 359 HE1 TYR 52 HE1 TYR 52 94.258 -2.120 -3.283 360 HE2 TYR 52 HE2 TYR 52 91.505 -2.539 -6.554 361 HH TYR 52 HH TYR 52 92.401 -3.779 -3.548 362 H LYS 53 H LYS 53 98.488 0.964 -7.976 363 HA LYS 53 HA LYS 53 98.573 0.438 -10.854 364 1HB LYS 53 1HB LYS 53 100.580 2.077 -9.306 365 2HB LYS 53 2HB LYS 53 99.910 2.387 -10.905 366 1HG LYS 53 1HG LYS 53 97.805 2.344 -8.929 367 2HG LYS 53 2HG LYS 53 99.057 3.485 -8.468 368 1HD LYS 53 1HD LYS 53 97.939 4.890 -9.874 369 2HD LYS 53 2HD LYS 53 98.852 4.038 -11.120 370 1HE LYS 53 1HE LYS 53 97.007 2.587 -11.615 371 2HE LYS 53 2HE LYS 53 96.128 3.106 -10.163 372 1HZ LYS 53 1HZ LYS 53 97.015 5.112 -12.123 373 2HZ LYS 53 2HZ LYS 53 95.601 4.221 -12.433 374 3HZ LYS 53 3HZ LYS 53 95.716 5.180 -11.034 375 H GLN 54 H GLN 54 100.994 0.401 -8.271 376 HA GLN 54 HA GLN 54 103.102 -0.877 -9.612 377 1HB GLN 54 1HB GLN 54 102.112 -0.816 -6.764 378 2HB GLN 54 2HB GLN 54 103.578 -1.703 -7.186 379 1HG GLN 54 1HG GLN 54 104.323 0.482 -8.359 380 2HG GLN 54 2HG GLN 54 103.047 1.257 -7.419 381 1HE2 GLN 54 2HE2 GLN 54 106.203 1.149 -7.245 382 2HE2 GLN 54 1HE2 GLN 54 106.470 0.885 -5.589 383 H ALA 55 H ALA 55 100.208 -2.216 -8.114 384 HA ALA 55 HA ALA 55 100.921 -4.987 -8.134 385 1HB ALA 55 1HB ALA 55 98.450 -3.307 -8.060 386 2HB ALA 55 2HB ALA 55 98.249 -5.024 -8.410 387 3HB ALA 55 3HB ALA 55 99.015 -4.514 -6.905 388 H LYS 56 H LYS 56 99.266 -2.954 -10.560 389 HA LYS 56 HA LYS 56 98.782 -5.011 -12.486 390 1HB LYS 56 1HB LYS 56 99.257 -2.022 -12.688 391 2HB LYS 56 2HB LYS 56 98.670 -3.007 -14.029 392 1HG LYS 56 1HG LYS 56 96.626 -3.444 -12.992 393 2HG LYS 56 2HG LYS 56 97.266 -3.136 -11.377 394 1HD LYS 56 1HD LYS 56 95.999 -1.208 -11.782 395 2HD LYS 56 2HD LYS 56 97.619 -0.698 -12.259 396 1HE LYS 56 1HE LYS 56 96.028 -0.029 -14.001 397 2HE LYS 56 2HE LYS 56 97.044 -1.340 -14.634 398 1HZ LYS 56 1HZ LYS 56 94.693 -2.155 -13.131 399 2HZ LYS 56 2HZ LYS 56 94.380 -1.435 -14.639 400 3HZ LYS 56 3HZ LYS 56 95.360 -2.818 -14.547 401 H LYS 57 H LYS 57 101.560 -2.831 -12.001 402 HA LYS 57 HA LYS 57 103.045 -3.522 -14.307 403 1HB LYS 57 1HB LYS 57 103.267 -1.888 -12.079 404 2HB LYS 57 2HB LYS 57 104.600 -3.024 -11.874 405 1HG LYS 57 1HG LYS 57 104.395 -2.159 -14.636 406 2HG LYS 57 2HG LYS 57 104.564 -0.777 -13.553 407 1HD LYS 57 1HD LYS 57 106.791 -1.462 -14.088 408 2HD LYS 57 2HD LYS 57 106.486 -2.042 -12.450 409 1HE LYS 57 1HE LYS 57 106.765 -4.198 -13.097 410 2HE LYS 57 2HE LYS 57 105.624 -3.995 -14.440 411 1HZ LYS 57 1HZ LYS 57 107.435 -2.696 -15.570 412 2HZ LYS 57 2HZ LYS 57 108.499 -3.274 -14.378 413 3HZ LYS 57 3HZ LYS 57 107.727 -4.363 -15.423 414 H LEU 58 H LEU 58 102.769 -5.107 -11.155 415 HA LEU 58 HA LEU 58 104.948 -6.870 -11.249 416 1HB LEU 58 1HB LEU 58 102.280 -6.699 -9.989 417 2HB LEU 58 2HB LEU 58 102.971 -8.321 -10.044 418 HG LEU 58 HG LEU 58 104.864 -6.202 -9.242 419 1HD1 LEU 58 1HD1 LEU 58 102.266 -6.577 -7.883 420 2HD1 LEU 58 2HD1 LEU 58 103.675 -6.657 -6.825 421 3HD1 LEU 58 3HD1 LEU 58 103.390 -5.221 -7.807 422 1HD2 LEU 58 1HD2 LEU 58 104.234 -9.046 -8.699 423 2HD2 LEU 58 2HD2 LEU 58 105.800 -8.248 -8.841 424 3HD2 LEU 58 3HD2 LEU 58 104.893 -8.147 -7.332 425 H ASP 59 H ASP 59 105.428 -8.561 -12.607 426 HA ASP 59 HA ASP 59 103.953 -9.244 -14.912 427 1HB ASP 59 1HB ASP 59 105.760 -11.062 -13.290 428 2HB ASP 59 2HB ASP 59 105.500 -11.100 -15.035 429 H SER 60 H SER 60 104.124 -11.077 -11.831 430 HA SER 60 HA SER 60 102.345 -13.137 -12.363 431 1HB SER 60 1HB SER 60 102.784 -11.469 -9.875 432 2HB SER 60 2HB SER 60 101.884 -12.983 -9.874 433 HG SER 60 HG SER 60 104.149 -13.200 -9.371 434 H CYS 61 H CYS 61 101.586 -9.747 -11.743 435 HA CYS 61 HA CYS 61 98.683 -10.311 -11.564 436 1HB CYS 61 1HB CYS 61 100.426 -7.838 -11.383 437 2HB CYS 61 2HB CYS 61 98.667 -7.783 -11.254 438 H LYS 62 H LYS 62 101.046 -8.984 -13.829 439 HA LYS 62 HA LYS 62 99.024 -7.982 -15.697 440 1HB LYS 62 1HB LYS 62 101.708 -7.564 -15.159 441 2HB LYS 62 2HB LYS 62 101.753 -8.471 -16.671 442 1HG LYS 62 1HG LYS 62 100.396 -6.866 -17.795 443 2HG LYS 62 2HG LYS 62 99.935 -6.088 -16.279 444 1HD LYS 62 1HD LYS 62 101.691 -4.698 -16.467 445 2HD LYS 62 2HD LYS 62 102.782 -6.083 -16.414 446 1HE LYS 62 1HE LYS 62 101.580 -5.971 -19.025 447 2HE LYS 62 2HE LYS 62 102.278 -4.386 -18.638 448 1HZ LYS 62 1HZ LYS 62 104.209 -5.784 -17.700 449 2HZ LYS 62 2HZ LYS 62 103.594 -7.023 -18.687 450 3HZ LYS 62 3HZ LYS 62 104.108 -5.564 -19.381 451 H VAL 63 H VAL 63 100.788 -10.975 -15.198 452 HA VAL 63 HA VAL 63 100.105 -12.006 -17.884 453 HB VAL 63 HB VAL 63 101.441 -13.270 -15.468 454 1HG1 VAL 63 1HG1 VAL 63 101.214 -14.091 -18.375 455 2HG1 VAL 63 2HG1 VAL 63 102.387 -14.793 -17.262 456 3HG1 VAL 63 3HG1 VAL 63 100.660 -14.990 -16.963 457 1HG2 VAL 63 1HG2 VAL 63 102.343 -11.168 -17.055 458 2HG2 VAL 63 2HG2 VAL 63 103.359 -12.231 -16.080 459 3HG2 VAL 63 3HG2 VAL 63 103.092 -12.587 -17.787 460 H LEU 64 H LEU 64 98.148 -11.424 -15.461 461 HA LEU 64 HA LEU 64 96.884 -14.129 -15.321 462 1HB LEU 64 1HB LEU 64 96.989 -11.660 -13.643 463 2HB LEU 64 2HB LEU 64 95.515 -12.624 -13.562 464 HG LEU 64 HG LEU 64 97.423 -13.186 -11.895 465 1HD1 LEU 64 1HD1 LEU 64 95.361 -14.604 -12.701 466 2HD1 LEU 64 2HD1 LEU 64 96.587 -15.567 -13.523 467 3HD1 LEU 64 3HD1 LEU 64 96.642 -15.379 -11.771 468 1HD2 LEU 64 1HD2 LEU 64 99.113 -13.173 -13.869 469 2HD2 LEU 64 2HD2 LEU 64 99.249 -14.466 -12.678 470 3HD2 LEU 64 3HD2 LEU 64 98.478 -14.778 -14.233 471 H VAL 65 H VAL 65 95.507 -10.834 -15.217 472 HA VAL 65 HA VAL 65 94.018 -11.291 -17.678 473 HB VAL 65 HB VAL 65 92.737 -10.966 -14.976 474 1HG1 VAL 65 1HG1 VAL 65 91.756 -10.315 -17.545 475 2HG1 VAL 65 2HG1 VAL 65 90.964 -11.825 -17.099 476 3HG1 VAL 65 3HG1 VAL 65 90.827 -10.414 -16.050 477 1HG2 VAL 65 1HG2 VAL 65 92.995 -13.337 -16.841 478 2HG2 VAL 65 2HG2 VAL 65 93.535 -13.218 -15.167 479 3HG2 VAL 65 3HG2 VAL 65 91.812 -13.281 -15.534 480 H ASP 66 H ASP 66 95.893 -9.396 -16.328 481 HA ASP 66 HA ASP 66 96.166 -7.045 -15.982 482 1HB ASP 66 1HB ASP 66 96.121 -7.656 -18.476 483 2HB ASP 66 2HB ASP 66 94.473 -7.027 -18.491 484 H ASN 67 H ASN 67 94.219 -7.659 -14.223 485 HA ASN 67 HA ASN 67 92.475 -5.311 -14.291 486 1HB ASN 67 1HB ASN 67 91.522 -7.242 -15.791 487 2HB ASN 67 2HB ASN 67 91.094 -7.985 -14.249 488 1HD2 ASN 67 2HD2 ASN 67 89.189 -7.251 -13.259 489 2HD2 ASN 67 1HD2 ASN 67 88.327 -5.870 -13.742 490 HA PRO 68 HA PRO 68 93.506 -6.812 -10.093 491 1HB PRO 68 1HB PRO 68 93.887 -4.315 -9.042 492 2HB PRO 68 2HB PRO 68 95.156 -5.199 -9.910 493 1HG PRO 68 1HG PRO 68 93.402 -2.994 -10.855 494 2HG PRO 68 2HG PRO 68 95.105 -3.318 -11.216 495 1HD PRO 68 1HD PRO 68 93.040 -3.894 -12.922 496 2HD PRO 68 2HD PRO 68 94.602 -4.740 -12.928 497 H TYR 69 H TYR 69 90.888 -6.901 -10.892 498 HA TYR 69 HA TYR 69 89.474 -5.786 -8.559 499 1HB TYR 69 1HB TYR 69 89.433 -4.624 -11.266 500 2HB TYR 69 2HB TYR 69 87.828 -4.927 -10.601 501 HD1 TYR 69 HD1 TYR 69 87.338 -4.073 -8.206 502 HD2 TYR 69 HD2 TYR 69 90.691 -2.751 -10.543 503 HE1 TYR 69 HE1 TYR 69 87.557 -2.072 -6.758 504 HE2 TYR 69 HE2 TYR 69 90.911 -0.751 -9.094 505 HH TYR 69 HH TYR 69 88.581 0.365 -7.137 506 H THR 70 H THR 70 89.939 -8.461 -9.282 507 HA THR 70 HA THR 70 87.343 -9.601 -9.205 508 HB THR 70 HB THR 70 87.168 -8.772 -11.492 509 HG1 THR 70 HG1 THR 70 87.399 -11.051 -12.530 510 1HG2 THR 70 1HG2 THR 70 89.763 -8.763 -11.693 511 2HG2 THR 70 2HG2 THR 70 89.566 -10.422 -12.260 512 3HG2 THR 70 3HG2 THR 70 88.810 -9.093 -13.140 513 H ASN 71 H ASN 71 90.093 -9.892 -8.109 514 HA ASN 71 HA ASN 71 90.984 -12.544 -9.083 515 1HB ASN 71 1HB ASN 71 92.591 -10.738 -8.606 516 2HB ASN 71 2HB ASN 71 92.004 -10.642 -6.945 517 1HD2 ASN 71 2HD2 ASN 71 94.534 -11.864 -8.669 518 2HD2 ASN 71 1HD2 ASN 71 94.915 -13.216 -7.717 519 H ASN 72 H ASN 72 91.170 -14.360 -7.588 520 HA ASN 72 HA ASN 72 88.947 -15.071 -6.100 521 1HB ASN 72 1HB ASN 72 90.875 -16.511 -6.735 522 2HB ASN 72 2HB ASN 72 91.849 -15.726 -5.491 523 1HD2 ASN 72 2HD2 ASN 72 91.390 -18.513 -5.332 524 2HD2 ASN 72 1HD2 ASN 72 90.362 -18.834 -4.021 525 H TYR 73 H TYR 73 91.959 -13.771 -4.635 526 HA TYR 73 HA TYR 73 92.253 -12.482 -2.673 527 1HB TYR 73 1HB TYR 73 90.330 -11.301 -4.035 528 2HB TYR 73 2HB TYR 73 89.297 -11.931 -2.752 529 HD1 TYR 73 HD1 TYR 73 89.942 -11.419 -0.319 530 HD2 TYR 73 HD2 TYR 73 91.631 -9.362 -3.691 531 HE1 TYR 73 HE1 TYR 73 90.655 -9.566 1.168 532 HE2 TYR 73 HE2 TYR 73 92.342 -7.509 -2.205 533 HH TYR 73 HH TYR 73 91.561 -6.572 0.064 534 H SER 74 H SER 74 91.875 -12.684 -0.363 535 HA SER 74 HA SER 74 89.780 -14.173 0.857 536 1HB SER 74 1HB SER 74 91.596 -16.206 1.167 537 2HB SER 74 2HB SER 74 90.312 -16.204 -0.039 538 HG SER 74 HG SER 74 93.042 -15.807 -0.311 539 H TYR 75 H TYR 75 90.016 -14.022 3.092 540 HA TYR 75 HA TYR 75 92.592 -13.926 4.420 541 1HB TYR 75 1HB TYR 75 92.719 -11.586 4.856 542 2HB TYR 75 2HB TYR 75 92.336 -11.709 3.140 543 HD1 TYR 75 HD1 TYR 75 89.841 -11.582 2.457 544 HD2 TYR 75 HD2 TYR 75 91.292 -10.391 6.320 545 HE1 TYR 75 HE1 TYR 75 87.781 -10.249 2.819 546 HE2 TYR 75 HE2 TYR 75 89.232 -9.058 6.684 547 HH TYR 75 HH TYR 75 87.247 -8.083 4.367 548 H SER 76 H SER 76 92.010 -12.626 6.722 549 HA SER 76 HA SER 76 89.297 -13.367 7.636 550 1HB SER 76 1HB SER 76 91.444 -15.152 7.761 551 2HB SER 76 2HB SER 76 91.340 -14.485 9.388 552 HG SER 76 HG SER 76 89.236 -15.650 7.872 553 H CYS 77 H CYS 77 89.270 -12.901 10.173 554 HA CYS 77 HA CYS 77 91.002 -10.527 10.756 555 1HB CYS 77 1HB CYS 77 88.924 -9.641 10.001 556 2HB CYS 77 2HB CYS 77 88.006 -10.850 10.883 557 H SER 78 H SER 78 90.923 -9.999 13.110 558 HA SER 78 HA SER 78 89.896 -11.661 15.154 559 1HB SER 78 1HB SER 78 91.037 -13.532 14.304 560 2HB SER 78 2HB SER 78 92.434 -12.576 13.815 561 HG SER 78 HG SER 78 92.618 -13.917 15.791 562 H ASN 79 H ASN 79 90.531 -10.869 17.182 563 HA ASN 79 HA ASN 79 91.352 -9.153 18.608 564 1HB ASN 79 1HB ASN 79 93.891 -10.093 17.237 565 2HB ASN 79 2HB ASN 79 93.759 -9.432 18.868 566 1HD2 ASN 79 2HD2 ASN 79 91.433 -10.818 19.766 567 2HD2 ASN 79 1HD2 ASN 79 91.787 -12.477 19.848 568 H ASN 80 H ASN 80 90.340 -7.880 16.389 569 HA ASN 80 HA ASN 80 90.513 -5.959 15.076 570 1HB ASN 80 1HB ASN 80 92.593 -5.229 17.129 571 2HB ASN 80 2HB ASN 80 91.461 -4.176 16.314 572 1HD2 ASN 80 2HD2 ASN 80 89.103 -5.587 16.614 573 2HD2 ASN 80 1HD2 ASN 80 88.756 -5.708 18.254 574 H GLU 81 H GLU 81 92.039 -8.074 14.118 575 HA GLU 81 HA GLU 81 94.282 -6.618 12.867 576 1HB GLU 81 1HB GLU 81 94.355 -9.280 14.284 577 2HB GLU 81 2HB GLU 81 95.615 -8.782 13.153 578 1HG GLU 81 1HG GLU 81 95.276 -6.561 14.790 579 2HG GLU 81 2HG GLU 81 95.155 -7.925 15.894 580 H ILE 82 H ILE 82 94.920 -7.536 10.804 581 HA ILE 82 HA ILE 82 92.663 -8.939 9.463 582 HB ILE 82 HB ILE 82 94.968 -7.182 8.671 583 1HG1 ILE 82 1HG1 ILE 82 92.165 -7.116 7.591 584 2HG1 ILE 82 2HG1 ILE 82 92.470 -6.548 9.233 585 1HG2 ILE 82 1HG2 ILE 82 93.515 -9.150 6.896 586 2HG2 ILE 82 2HG2 ILE 82 94.242 -7.679 6.250 587 3HG2 ILE 82 3HG2 ILE 82 95.253 -8.888 7.042 588 1HD1 ILE 82 1HD1 ILE 82 94.064 -5.577 6.852 589 2HD1 ILE 82 2HD1 ILE 82 92.599 -4.770 7.408 590 3HD1 ILE 82 3HD1 ILE 82 94.003 -4.878 8.469 591 H THR 83 H THR 83 92.899 -10.988 8.604 592 HA THR 83 HA THR 83 95.579 -12.309 8.901 593 HB THR 83 HB THR 83 92.752 -13.099 9.548 594 HG1 THR 83 HG1 THR 83 95.129 -13.772 10.892 595 1HG2 THR 83 1HG2 THR 83 94.954 -14.912 8.613 596 2HG2 THR 83 2HG2 THR 83 93.842 -15.473 9.862 597 3HG2 THR 83 3HG2 THR 83 93.224 -14.997 8.280 598 H CYS 84 H CYS 84 96.042 -11.800 6.607 599 HA CYS 84 HA CYS 84 94.227 -12.795 4.529 600 1HB CYS 84 1HB CYS 84 96.332 -10.960 4.774 601 2HB CYS 84 2HB CYS 84 96.972 -12.233 3.733 602 H SER 85 H SER 85 94.405 -14.763 3.461 603 HA SER 85 HA SER 85 95.921 -16.905 4.661 604 1HB SER 85 1HB SER 85 95.004 -18.166 2.727 605 2HB SER 85 2HB SER 85 93.768 -17.174 3.494 606 HG SER 85 HG SER 85 93.539 -16.561 1.464 607 H SER 86 H SER 86 98.013 -17.489 4.251 608 HA SER 86 HA SER 86 99.768 -15.967 2.595 609 1HB SER 86 1HB SER 86 101.171 -18.161 2.969 610 2HB SER 86 2HB SER 86 100.736 -17.169 4.358 611 HG SER 86 HG SER 86 100.117 -19.195 4.894 612 H GLU 87 H GLU 87 97.611 -18.586 1.835 613 HA GLU 87 HA GLU 87 98.853 -19.784 -0.400 614 1HB GLU 87 1HB GLU 87 96.073 -19.257 0.562 615 2HB GLU 87 2HB GLU 87 96.261 -19.834 -1.094 616 1HG GLU 87 1HG GLU 87 97.955 -21.314 0.758 617 2HG GLU 87 2HG GLU 87 96.252 -21.417 1.204 618 H ASN 88 H ASN 88 97.385 -16.626 -0.052 619 HA ASN 88 HA ASN 88 96.725 -15.867 -2.634 620 1HB ASN 88 1HB ASN 88 98.270 -14.356 -0.505 621 2HB ASN 88 2HB ASN 88 97.448 -13.597 -1.869 622 1HD2 ASN 88 2HD2 ASN 88 96.680 -13.021 0.831 623 2HD2 ASN 88 1HD2 ASN 88 95.124 -13.647 1.090 624 H ASN 89 H ASN 89 97.886 -15.995 -4.524 625 HA ASN 89 HA ASN 89 100.692 -16.614 -4.623 626 1HB ASN 89 1HB ASN 89 100.305 -16.046 -7.079 627 2HB ASN 89 2HB ASN 89 99.204 -17.247 -6.404 628 1HD2 ASN 89 2HD2 ASN 89 99.156 -14.624 -8.387 629 2HD2 ASN 89 1HD2 ASN 89 97.603 -14.024 -8.053 630 H ALA 90 H ALA 90 102.089 -15.069 -6.170 631 HA ALA 90 HA ALA 90 102.967 -12.848 -4.778 632 1HB ALA 90 1HB ALA 90 103.008 -13.808 -7.582 633 2HB ALA 90 2HB ALA 90 103.423 -12.109 -7.356 634 3HB ALA 90 3HB ALA 90 104.351 -13.361 -6.529 635 H CYS 91 H CYS 91 100.271 -12.987 -7.085 636 HA CYS 91 HA CYS 91 99.837 -10.090 -7.046 637 1HB CYS 91 1HB CYS 91 99.331 -11.980 -8.834 638 2HB CYS 91 2HB CYS 91 97.814 -12.114 -7.944 639 H GLU 92 H GLU 92 97.920 -12.901 -5.884 640 HA GLU 92 HA GLU 92 95.908 -11.449 -4.525 641 1HB GLU 92 1HB GLU 92 97.192 -14.156 -4.274 642 2HB GLU 92 2HB GLU 92 95.994 -13.660 -3.079 643 1HG GLU 92 1HG GLU 92 94.507 -13.037 -5.094 644 2HG GLU 92 2HG GLU 92 95.635 -13.990 -6.059 645 H ALA 93 H ALA 93 99.179 -12.333 -3.515 646 HA ALA 93 HA ALA 93 98.850 -11.542 -0.740 647 1HB ALA 93 1HB ALA 93 100.828 -12.670 -2.508 648 2HB ALA 93 2HB ALA 93 101.561 -11.364 -1.576 649 3HB ALA 93 3HB ALA 93 100.784 -12.713 -0.745 650 H PHE 94 H PHE 94 100.234 -9.969 -3.634 651 HA PHE 94 HA PHE 94 101.000 -7.528 -2.306 652 1HB PHE 94 1HB PHE 94 101.793 -8.451 -4.527 653 2HB PHE 94 2HB PHE 94 100.232 -7.987 -5.207 654 HD1 PHE 94 HD1 PHE 94 99.532 -5.562 -5.166 655 HD2 PHE 94 HD2 PHE 94 103.506 -6.835 -4.149 656 HE1 PHE 94 HE1 PHE 94 100.355 -3.242 -5.474 657 HE2 PHE 94 HE2 PHE 94 104.329 -4.516 -4.458 658 HZ PHE 94 HZ PHE 94 102.753 -2.719 -5.121 659 H ILE 95 H ILE 95 98.088 -8.506 -4.129 660 HA ILE 95 HA ILE 95 96.737 -5.989 -4.050 661 HB ILE 95 HB ILE 95 95.747 -8.858 -4.107 662 1HG1 ILE 95 1HG1 ILE 95 97.275 -8.192 -5.954 663 2HG1 ILE 95 2HG1 ILE 95 95.637 -8.490 -6.534 664 1HG2 ILE 95 1HG2 ILE 95 94.226 -6.604 -3.620 665 2HG2 ILE 95 2HG2 ILE 95 94.112 -6.769 -5.372 666 3HG2 ILE 95 3HG2 ILE 95 93.620 -8.101 -4.326 667 1HD1 ILE 95 1HD1 ILE 95 95.517 -5.825 -5.890 668 2HD1 ILE 95 2HD1 ILE 95 97.176 -5.978 -6.471 669 3HD1 ILE 95 3HD1 ILE 95 95.830 -6.449 -7.510 670 H CYS 96 H CYS 96 96.807 -8.724 -1.765 671 HA CYS 96 HA CYS 96 94.799 -7.675 0.024 672 1HB CYS 96 1HB CYS 96 95.356 -9.998 0.083 673 2HB CYS 96 2HB CYS 96 97.078 -9.656 0.234 674 H ASN 97 H ASN 97 98.202 -7.048 -0.448 675 HA ASN 97 HA ASN 97 98.705 -5.839 2.145 676 1HB ASN 97 1HB ASN 97 100.074 -5.634 -0.558 677 2HB ASN 97 2HB ASN 97 100.771 -5.084 0.964 678 1HD2 ASN 97 2HD2 ASN 97 102.353 -6.901 -0.093 679 2HD2 ASN 97 1HD2 ASN 97 102.127 -8.448 0.557 680 H CYS 98 H CYS 98 97.826 -4.616 -1.085 681 HA CYS 98 HA CYS 98 97.990 -1.819 -0.484 682 1HB CYS 98 1HB CYS 98 96.138 -3.275 -2.398 683 2HB CYS 98 2HB CYS 98 96.687 -1.606 -2.535 684 H ASP 99 H ASP 99 95.245 -4.108 -0.386 685 HA ASP 99 HA ASP 99 93.343 -2.154 0.601 686 1HB ASP 99 1HB ASP 99 93.468 -5.180 0.486 687 2HB ASP 99 2HB ASP 99 92.050 -4.309 1.069 688 H ARG 100 H ARG 100 95.472 -4.560 2.115 689 HA ARG 100 HA ARG 100 94.420 -4.244 4.797 690 1HB ARG 100 1HB ARG 100 95.674 -6.209 3.917 691 2HB ARG 100 2HB ARG 100 97.115 -5.204 3.779 692 1HG ARG 100 1HG ARG 100 96.360 -4.721 6.369 693 2HG ARG 100 2HG ARG 100 95.892 -6.410 6.175 694 1HD ARG 100 1HD ARG 100 98.399 -6.301 4.964 695 2HD ARG 100 2HD ARG 100 98.567 -5.264 6.388 696 HE ARG 100 HE ARG 100 97.136 -7.706 6.956 697 1HH1 ARG 100 1HH1 ARG 100 99.085 -6.130 8.723 698 2HH1 ARG 100 2HH1 ARG 100 100.390 -7.262 8.855 699 1HH2 ARG 100 1HH2 ARG 100 99.298 -9.232 6.217 700 2HH2 ARG 100 2HH2 ARG 100 100.509 -9.018 7.437 701 H ASN 101 H ASN 101 97.435 -3.096 3.237 702 HA ASN 101 HA ASN 101 98.425 -1.517 5.357 703 1HB ASN 101 1HB ASN 101 98.584 -1.431 2.350 704 2HB ASN 101 2HB ASN 101 99.390 -0.193 3.310 705 1HD2 ASN 101 2HD2 ASN 101 101.220 -1.547 2.019 706 2HD2 ASN 101 1HD2 ASN 101 101.941 -2.768 2.943 707 H ALA 102 H ALA 102 95.853 -0.871 3.051 708 HA ALA 102 HA ALA 102 95.650 1.982 3.622 709 1HB ALA 102 1HB ALA 102 94.690 0.134 1.753 710 2HB ALA 102 2HB ALA 102 93.250 0.653 2.627 711 3HB ALA 102 3HB ALA 102 94.272 1.845 1.826 712 H ALA 103 H ALA 103 93.836 -0.930 4.628 713 HA ALA 103 HA ALA 103 91.935 0.422 6.298 714 1HB ALA 103 1HB ALA 103 92.909 -2.304 5.728 715 2HB ALA 103 2HB ALA 103 92.258 -2.103 7.354 716 3HB ALA 103 3HB ALA 103 91.257 -1.728 5.952 717 H ILE 104 H ILE 104 95.091 -1.095 7.012 718 HA ILE 104 HA ILE 104 95.063 -0.654 9.841 719 HB ILE 104 HB ILE 104 97.312 -0.847 7.811 720 1HG1 ILE 104 1HG1 ILE 104 96.143 -2.962 9.643 721 2HG1 ILE 104 2HG1 ILE 104 95.671 -2.765 7.955 722 1HG2 ILE 104 1HG2 ILE 104 97.262 -0.891 10.827 723 2HG2 ILE 104 2HG2 ILE 104 98.531 -1.726 9.930 724 3HG2 ILE 104 3HG2 ILE 104 98.330 0.017 9.756 725 1HD1 ILE 104 1HD1 ILE 104 98.590 -2.931 8.532 726 2HD1 ILE 104 2HD1 ILE 104 97.655 -4.418 8.694 727 3HD1 ILE 104 3HD1 ILE 104 97.679 -3.554 7.156 728 H CYS 105 H CYS 105 95.956 1.400 7.111 729 HA CYS 105 HA CYS 105 97.343 3.440 8.577 730 1HB CYS 105 1HB CYS 105 97.118 2.917 6.030 731 2HB CYS 105 2HB CYS 105 95.653 3.895 6.120 732 H PHE 106 H PHE 106 93.906 3.088 7.641 733 HA PHE 106 HA PHE 106 92.910 5.535 8.584 734 1HB PHE 106 1HB PHE 106 91.716 2.744 8.641 735 2HB PHE 106 2HB PHE 106 90.786 4.232 8.809 736 HD1 PHE 106 HD1 PHE 106 93.397 5.052 6.654 737 HD2 PHE 106 HD2 PHE 106 89.748 2.786 6.737 738 HE1 PHE 106 HE1 PHE 106 93.230 5.223 4.186 739 HE2 PHE 106 HE2 PHE 106 89.583 2.962 4.271 740 HZ PHE 106 HZ PHE 106 91.325 4.181 2.995 741 H SER 107 H SER 107 93.465 2.475 10.306 742 HA SER 107 HA SER 107 92.514 3.465 12.876 743 1HB SER 107 1HB SER 107 93.239 1.295 13.635 744 2HB SER 107 2HB SER 107 92.598 1.072 12.010 745 HG SER 107 HG SER 107 94.896 1.437 11.361 746 H LYS 108 H LYS 108 95.409 3.891 11.103 747 HA LYS 108 HA LYS 108 97.066 4.339 13.535 748 1HB LYS 108 1HB LYS 108 97.474 3.950 10.594 749 2HB LYS 108 2HB LYS 108 98.721 4.811 11.498 750 1HG LYS 108 1HG LYS 108 98.748 2.890 13.133 751 2HG LYS 108 2HG LYS 108 97.674 2.020 12.039 752 1HD LYS 108 1HD LYS 108 99.503 1.319 10.929 753 2HD LYS 108 2HD LYS 108 99.746 2.986 10.409 754 1HE LYS 108 1HE LYS 108 101.689 2.963 11.585 755 2HE LYS 108 2HE LYS 108 100.710 2.884 13.063 756 1HZ LYS 108 1HZ LYS 108 101.188 0.466 11.444 757 2HZ LYS 108 2HZ LYS 108 102.339 0.969 12.583 758 3HZ LYS 108 3HZ LYS 108 100.761 0.583 13.084 759 H VAL 109 H VAL 109 94.864 6.096 11.847 760 HA VAL 109 HA VAL 109 96.235 8.662 12.512 761 HB VAL 109 HB VAL 109 95.600 9.520 10.278 762 1HG1 VAL 109 1HG1 VAL 109 97.715 7.948 10.853 763 2HG1 VAL 109 2HG1 VAL 109 96.960 6.960 9.603 764 3HG1 VAL 109 3HG1 VAL 109 97.442 8.619 9.244 765 1HG2 VAL 109 1HG2 VAL 109 94.471 6.729 10.010 766 2HG2 VAL 109 2HG2 VAL 109 93.653 8.267 9.735 767 3HG2 VAL 109 3HG2 VAL 109 94.877 7.704 8.598 768 HA PRO 110 HA PRO 110 92.268 9.847 13.954 769 1HB PRO 110 1HB PRO 110 92.139 12.491 13.247 770 2HB PRO 110 2HB PRO 110 93.169 11.889 14.561 771 1HG PRO 110 1HG PRO 110 93.895 12.599 11.761 772 2HG PRO 110 2HG PRO 110 94.781 12.893 13.267 773 1HD PRO 110 1HD PRO 110 95.409 10.886 11.542 774 2HD PRO 110 2HD PRO 110 95.699 10.790 13.294 775 H TYR 111 H TYR 111 90.178 11.110 13.114 776 HA TYR 111 HA TYR 111 89.804 10.486 10.203 777 1HB TYR 111 1HB TYR 111 88.776 8.734 11.450 778 2HB TYR 111 2HB TYR 111 88.129 9.861 12.641 779 HD1 TYR 111 HD1 TYR 111 87.964 9.028 8.994 780 HD2 TYR 111 HD2 TYR 111 85.953 10.705 12.399 781 HE1 TYR 111 HE1 TYR 111 85.886 9.248 7.658 782 HE2 TYR 111 HE2 TYR 111 83.875 10.926 11.064 783 HH TYR 111 HH TYR 111 82.916 10.613 9.096 784 H ASN 112 H ASN 112 89.802 12.633 9.452 785 HA ASN 112 HA ASN 112 88.362 14.764 10.851 786 1HB ASN 112 1HB ASN 112 89.999 14.386 8.376 787 2HB ASN 112 2HB ASN 112 88.947 15.801 8.451 788 1HD2 ASN 112 2HD2 ASN 112 91.663 14.182 10.120 789 2HD2 ASN 112 1HD2 ASN 112 92.185 15.565 10.953 790 H LYS 113 H LYS 113 86.129 14.295 10.882 791 HA LYS 113 HA LYS 113 84.693 13.240 8.592 792 1HB LYS 113 1HB LYS 113 82.731 13.840 10.045 793 2HB LYS 113 2HB LYS 113 83.962 12.905 10.895 794 1HG LYS 113 1HG LYS 113 84.487 14.628 12.282 795 2HG LYS 113 2HG LYS 113 84.382 15.821 10.987 796 1HD LYS 113 1HD LYS 113 81.775 15.194 11.185 797 2HD LYS 113 2HD LYS 113 82.267 14.849 12.844 798 1HE LYS 113 1HE LYS 113 83.220 17.412 11.616 799 2HE LYS 113 2HE LYS 113 81.529 17.312 12.147 800 1HZ LYS 113 1HZ LYS 113 82.385 16.337 14.260 801 2HZ LYS 113 2HZ LYS 113 83.958 16.733 13.755 802 3HZ LYS 113 3HZ LYS 113 82.815 17.961 14.026 803 H GLU 114 H GLU 114 85.714 16.416 9.547 804 HA GLU 114 HA GLU 114 83.709 17.981 8.258 805 1HB GLU 114 1HB GLU 114 86.223 18.282 9.631 806 2HB GLU 114 2HB GLU 114 86.213 19.309 8.197 807 1HG GLU 114 1HG GLU 114 83.884 20.078 8.956 808 2HG GLU 114 2HG GLU 114 84.256 19.310 10.499 809 H HIS 115 H HIS 115 86.760 16.569 7.126 810 HA HIS 115 HA HIS 115 86.610 17.840 4.496 811 1HB HIS 115 1HB HIS 115 88.325 15.875 5.966 812 2HB HIS 115 2HB HIS 115 88.448 15.926 4.208 813 HD1 HIS 115 HD1 HIS 115 88.372 18.486 7.047 814 HD2 HIS 115 HD2 HIS 115 90.271 17.827 3.395 815 HE1 HIS 115 HE1 HIS 115 89.996 20.404 6.727 816 H LYS 116 H LYS 116 84.739 15.483 5.845 817 HA LYS 116 HA LYS 116 84.721 13.365 3.936 818 1HB LYS 116 1HB LYS 116 83.656 13.796 6.321 819 2HB LYS 116 2HB LYS 116 82.279 14.352 5.371 820 1HG LYS 116 1HG LYS 116 82.302 12.196 4.134 821 2HG LYS 116 2HG LYS 116 83.616 11.642 5.173 822 1HD LYS 116 1HD LYS 116 81.627 10.774 6.158 823 2HD LYS 116 2HD LYS 116 82.073 12.163 7.150 824 1HE LYS 116 1HE LYS 116 79.795 12.580 6.788 825 2HE LYS 116 2HE LYS 116 80.516 13.471 5.433 826 1HZ LYS 116 1HZ LYS 116 80.331 11.438 4.090 827 2HZ LYS 116 2HZ LYS 116 79.525 10.668 5.373 828 3HZ LYS 116 3HZ LYS 116 78.812 12.000 4.603 829 H ASN 117 H ASN 117 83.566 13.143 1.999 830 HA ASN 117 HA ASN 117 82.549 13.907 0.003 831 1HB ASN 117 1HB ASN 117 80.886 15.146 2.218 832 2HB ASN 117 2HB ASN 117 80.376 15.093 0.531 833 1HD2 ASN 117 2HD2 ASN 117 79.322 13.643 3.043 834 2HD2 ASN 117 1HD2 ASN 117 79.287 12.009 2.586 835 H LEU 118 H LEU 118 84.805 15.383 0.326 836 HA LEU 118 HA LEU 118 84.293 18.210 0.531 837 1HB LEU 118 1HB LEU 118 86.355 17.469 1.335 838 2HB LEU 118 2HB LEU 118 86.527 16.295 0.047 839 HG LEU 118 HG LEU 118 86.779 18.223 -1.535 840 1HD1 LEU 118 1HD1 LEU 118 85.979 19.742 0.598 841 2HD1 LEU 118 2HD1 LEU 118 87.731 19.920 0.698 842 3HD1 LEU 118 3HD1 LEU 118 86.879 20.387 -0.774 843 1HD2 LEU 118 1HD2 LEU 118 88.632 16.782 -0.460 844 2HD2 LEU 118 2HD2 LEU 118 89.117 18.317 -1.182 845 3HD2 LEU 118 3HD2 LEU 118 88.937 18.182 0.567 846 H ASP 119 H ASP 119 85.161 19.566 -1.390 847 HA ASP 119 HA ASP 119 83.810 18.654 -3.866 848 1HB ASP 119 1HB ASP 119 83.557 20.922 -2.646 849 2HB ASP 119 2HB ASP 119 85.131 21.316 -3.338 850 H LYS 120 H LYS 120 84.967 17.881 -5.579 851 HA LYS 120 HA LYS 120 87.685 17.308 -5.621 852 1HB LYS 120 1HB LYS 120 85.785 18.059 -7.865 853 2HB LYS 120 2HB LYS 120 87.347 17.281 -8.120 854 1HG LYS 120 1HG LYS 120 86.046 15.773 -6.116 855 2HG LYS 120 2HG LYS 120 84.835 16.077 -7.363 856 1HD LYS 120 1HD LYS 120 87.573 15.260 -8.243 857 2HD LYS 120 2HD LYS 120 86.522 14.022 -7.554 858 1HE LYS 120 1HE LYS 120 85.841 13.884 -9.770 859 2HE LYS 120 2HE LYS 120 84.753 15.181 -9.234 860 1HZ LYS 120 1HZ LYS 120 87.433 16.026 -9.943 861 2HZ LYS 120 2HZ LYS 120 86.509 15.447 -11.243 862 3HZ LYS 120 3HZ LYS 120 85.936 16.744 -10.306 863 H LYS 121 H LYS 121 86.119 20.384 -6.110 864 HA LYS 121 HA LYS 121 88.205 21.738 -7.548 865 1HB LYS 121 1HB LYS 121 85.748 22.332 -6.034 866 2HB LYS 121 2HB LYS 121 86.934 23.639 -6.016 867 1HG LYS 121 1HG LYS 121 86.309 24.203 -8.096 868 2HG LYS 121 2HG LYS 121 86.862 22.628 -8.665 869 1HD LYS 121 1HD LYS 121 84.565 21.779 -7.733 870 2HD LYS 121 2HD LYS 121 84.096 23.475 -7.851 871 1HE LYS 121 1HE LYS 121 83.493 22.632 -9.973 872 2HE LYS 121 2HE LYS 121 85.112 23.294 -10.282 873 1HZ LYS 121 1HZ LYS 121 85.030 20.602 -9.196 874 2HZ LYS 121 2HZ LYS 121 84.449 20.759 -10.785 875 3HZ LYS 121 3HZ LYS 121 86.029 21.254 -10.401 876 H ASN 122 H ASN 122 87.984 20.619 -4.361 877 HA ASN 122 HA ASN 122 90.068 22.488 -3.326 878 1HB ASN 122 1HB ASN 122 88.028 20.570 -2.266 879 2HB ASN 122 2HB ASN 122 89.471 20.845 -1.299 880 1HD2 ASN 122 2HD2 ASN 122 86.497 22.298 -2.464 881 2HD2 ASN 122 1HD2 ASN 122 86.633 23.748 -1.589 882 H CYS 123 H CYS 123 89.641 19.552 -4.858 883 HA CYS 123 HA CYS 123 92.057 18.260 -3.703 884 1HB CYS 123 1HB CYS 123 89.550 17.507 -5.138 885 2HB CYS 123 2HB CYS 123 90.943 16.460 -5.344 Start of MODEL 20 1 1H ALA 1 1H ALA 1 88.749 -6.175 -4.755 2 2H ALA 1 2H ALA 1 88.623 -7.492 -5.821 3 3H ALA 1 3H ALA 1 87.948 -5.993 -6.242 4 HA ALA 1 HA ALA 1 86.187 -7.476 -5.539 5 1HB ALA 1 1HB ALA 1 88.101 -7.746 -3.212 6 2HB ALA 1 2HB ALA 1 86.416 -8.250 -3.093 7 3HB ALA 1 3HB ALA 1 87.486 -9.020 -4.266 8 H LEU 2 H LEU 2 84.382 -6.436 -4.651 9 HA LEU 2 HA LEU 2 84.906 -3.802 -3.323 10 1HB LEU 2 1HB LEU 2 83.096 -4.862 -5.372 11 2HB LEU 2 2HB LEU 2 82.257 -3.910 -4.147 12 HG LEU 2 HG LEU 2 84.744 -2.631 -4.914 13 1HD1 LEU 2 1HD1 LEU 2 83.555 -3.997 -7.033 14 2HD1 LEU 2 2HD1 LEU 2 82.934 -2.354 -7.188 15 3HD1 LEU 2 3HD1 LEU 2 84.673 -2.641 -7.173 16 1HD2 LEU 2 1HD2 LEU 2 81.923 -2.027 -4.407 17 2HD2 LEU 2 2HD2 LEU 2 83.351 -1.031 -4.122 18 3HD2 LEU 2 3HD2 LEU 2 82.598 -1.055 -5.716 19 H TRP 3 H TRP 3 84.424 -6.775 -2.287 20 HA TRP 3 HA TRP 3 82.374 -5.998 -0.235 21 1HB TRP 3 1HB TRP 3 82.788 -8.871 -0.610 22 2HB TRP 3 2HB TRP 3 81.290 -7.950 -0.662 23 HD1 TRP 3 HD1 TRP 3 84.229 -8.997 -2.902 24 HE1 TRP 3 HE1 TRP 3 83.455 -8.920 -5.360 25 HE3 TRP 3 HE3 TRP 3 79.567 -6.998 -2.301 26 HZ2 TRP 3 HZ2 TRP 3 81.168 -8.122 -6.870 27 HZ3 TRP 3 HZ3 TRP 3 78.114 -6.593 -4.267 28 HH2 TRP 3 HH2 TRP 3 78.909 -7.151 -6.548 29 H GLN 4 H GLN 4 85.261 -8.009 -0.852 30 HA GLN 4 HA GLN 4 85.765 -8.688 1.892 31 1HB GLN 4 1HB GLN 4 87.656 -8.406 -0.467 32 2HB GLN 4 2HB GLN 4 87.950 -9.360 0.988 33 1HG GLN 4 1HG GLN 4 86.318 -10.950 0.432 34 2HG GLN 4 2HG GLN 4 85.490 -9.854 -0.675 35 1HE2 GLN 4 2HE2 GLN 4 86.705 -12.609 -1.170 36 2HE2 GLN 4 1HE2 GLN 4 87.772 -12.377 -2.470 37 H PHE 5 H PHE 5 86.833 -5.979 -0.153 38 HA PHE 5 HA PHE 5 88.812 -4.855 1.509 39 1HB PHE 5 1HB PHE 5 88.165 -4.168 -0.806 40 2HB PHE 5 2HB PHE 5 86.697 -3.441 -0.148 41 HD1 PHE 5 HD1 PHE 5 90.053 -3.473 1.450 42 HD2 PHE 5 HD2 PHE 5 87.096 -1.134 -0.603 43 HE1 PHE 5 HE1 PHE 5 91.312 -1.409 1.994 44 HE2 PHE 5 HE2 PHE 5 88.354 0.933 -0.060 45 HZ PHE 5 HZ PHE 5 90.462 0.794 1.241 46 H ASN 6 H ASN 6 85.357 -3.868 1.410 47 HA ASN 6 HA ASN 6 85.321 -2.157 3.623 48 1HB ASN 6 1HB ASN 6 83.512 -3.484 1.909 49 2HB ASN 6 2HB ASN 6 82.980 -3.866 3.546 50 1HD2 ASN 6 1HD2 ASN 6 81.575 -2.064 1.691 51 2HD2 ASN 6 2HD2 ASN 6 81.562 -0.530 2.416 52 H GLY 7 H GLY 7 85.143 -5.710 3.576 53 1HA GLY 7 1HA GLY 7 84.567 -6.090 6.344 54 2HA GLY 7 2HA GLY 7 85.376 -7.273 5.313 55 H MET 8 H MET 8 87.645 -5.677 4.610 56 HA MET 8 HA MET 8 89.415 -6.228 6.773 57 1HB MET 8 1HB MET 8 89.598 -4.312 4.423 58 2HB MET 8 2HB MET 8 90.972 -4.822 5.403 59 1HG MET 8 1HG MET 8 89.897 -7.239 4.783 60 2HG MET 8 2HG MET 8 89.465 -6.322 3.341 61 1HE MET 8 1HE MET 8 90.748 -8.598 3.115 62 2HE MET 8 2HE MET 8 92.234 -8.417 2.173 63 3HE MET 8 3HE MET 8 92.315 -8.847 3.879 64 H ILE 9 H ILE 9 87.765 -3.225 5.799 65 HA ILE 9 HA ILE 9 89.026 -1.498 7.720 66 HB ILE 9 HB ILE 9 86.297 -1.396 6.391 67 1HG1 ILE 9 1HG1 ILE 9 88.986 -0.275 5.533 68 2HG1 ILE 9 2HG1 ILE 9 88.160 -1.645 4.787 69 1HG2 ILE 9 1HG2 ILE 9 87.792 0.444 8.146 70 2HG2 ILE 9 2HG2 ILE 9 87.195 1.184 6.661 71 3HG2 ILE 9 3HG2 ILE 9 86.070 0.399 7.770 72 1HD1 ILE 9 1HD1 ILE 9 86.186 -0.059 4.408 73 2HD1 ILE 9 2HD1 ILE 9 87.290 1.250 4.830 74 3HD1 ILE 9 3HD1 ILE 9 87.619 0.237 3.425 75 H LYS 10 H LYS 10 86.440 -3.837 7.958 76 HA LYS 10 HA LYS 10 85.300 -2.772 10.431 77 1HB LYS 10 1HB LYS 10 85.012 -5.172 8.660 78 2HB LYS 10 2HB LYS 10 84.347 -5.258 10.290 79 1HG LYS 10 1HG LYS 10 82.780 -3.596 9.890 80 2HG LYS 10 2HG LYS 10 83.762 -2.828 8.643 81 1HD LYS 10 1HD LYS 10 81.925 -3.886 7.514 82 2HD LYS 10 2HD LYS 10 83.348 -4.881 7.207 83 1HE LYS 10 1HE LYS 10 82.660 -6.332 9.164 84 2HE LYS 10 2HE LYS 10 81.140 -5.419 9.218 85 1HZ LYS 10 1HZ LYS 10 82.002 -6.322 6.593 86 2HZ LYS 10 2HZ LYS 10 81.490 -7.545 7.657 87 3HZ LYS 10 3HZ LYS 10 80.442 -6.270 7.264 88 H CYS 11 H CYS 11 87.490 -5.468 9.583 89 HA CYS 11 HA CYS 11 87.793 -6.543 12.186 90 1HB CYS 11 1HB CYS 11 88.489 -7.428 9.878 91 2HB CYS 11 2HB CYS 11 89.916 -6.407 10.041 92 H LYS 12 H LYS 12 89.643 -4.040 10.461 93 HA LYS 12 HA LYS 12 91.540 -3.582 12.602 94 1HB LYS 12 1HB LYS 12 90.640 -2.081 10.133 95 2HB LYS 12 2HB LYS 12 91.918 -1.471 11.186 96 1HG LYS 12 1HG LYS 12 92.012 -4.284 10.104 97 2HG LYS 12 2HG LYS 12 92.620 -2.926 9.158 98 1HD LYS 12 1HD LYS 12 94.536 -2.973 10.332 99 2HD LYS 12 2HD LYS 12 93.629 -2.643 11.809 100 1HE LYS 12 1HE LYS 12 93.071 -5.277 11.545 101 2HE LYS 12 2HE LYS 12 94.672 -5.232 10.780 102 1HZ LYS 12 1HZ LYS 12 95.024 -3.595 12.869 103 2HZ LYS 12 2HZ LYS 12 93.932 -4.710 13.534 104 3HZ LYS 12 3HZ LYS 12 95.409 -5.249 12.890 105 H ILE 13 H ILE 13 88.367 -2.269 11.783 106 HA ILE 13 HA ILE 13 88.380 -0.786 14.375 107 HB ILE 13 HB ILE 13 87.630 0.308 11.643 108 1HG1 ILE 13 1HG1 ILE 13 89.822 1.147 13.566 109 2HG1 ILE 13 2HG1 ILE 13 90.086 0.120 12.155 110 1HG2 ILE 13 1HG2 ILE 13 86.188 1.095 13.548 111 2HG2 ILE 13 2HG2 ILE 13 87.645 1.698 14.338 112 3HG2 ILE 13 3HG2 ILE 13 87.129 2.383 12.797 113 1HD1 ILE 13 1HD1 ILE 13 88.612 2.326 11.212 114 2HD1 ILE 13 2HD1 ILE 13 89.837 3.002 12.285 115 3HD1 ILE 13 3HD1 ILE 13 90.320 1.991 10.923 116 HA PRO 14 HA PRO 14 84.506 -3.161 13.771 117 1HB PRO 14 1HB PRO 14 84.331 -3.992 16.371 118 2HB PRO 14 2HB PRO 14 85.293 -4.845 15.147 119 1HG PRO 14 1HG PRO 14 86.174 -2.997 17.297 120 2HG PRO 14 2HG PRO 14 86.969 -4.439 16.648 121 1HD PRO 14 1HD PRO 14 87.666 -1.856 16.009 122 2HD PRO 14 2HD PRO 14 88.002 -3.272 14.989 123 H SER 15 H SER 15 85.464 -0.878 16.312 124 HA SER 15 HA SER 15 82.784 -0.256 17.209 125 1HB SER 15 1HB SER 15 83.918 1.212 18.616 126 2HB SER 15 2HB SER 15 85.217 0.098 18.202 127 HG SER 15 HG SER 15 85.416 2.568 17.923 128 H SER 16 H SER 16 84.589 0.641 14.409 129 HA SER 16 HA SER 16 82.724 2.940 13.912 130 1HB SER 16 1HB SER 16 85.400 3.030 14.107 131 2HB SER 16 2HB SER 16 85.282 2.572 12.411 132 HG SER 16 HG SER 16 84.480 4.904 13.717 133 H GLU 17 H GLU 17 82.309 3.253 11.487 134 HA GLU 17 HA GLU 17 82.172 0.609 10.073 135 1HB GLU 17 1HB GLU 17 80.117 2.695 10.710 136 2HB GLU 17 2HB GLU 17 79.953 1.797 9.200 137 1HG GLU 17 1HG GLU 17 79.367 -0.116 10.266 138 2HG GLU 17 2HG GLU 17 80.594 0.103 11.516 139 HA PRO 18 HA PRO 18 84.111 2.929 6.850 140 1HB PRO 18 1HB PRO 18 83.773 1.101 4.841 141 2HB PRO 18 2HB PRO 18 84.981 0.911 6.128 142 1HG PRO 18 1HG PRO 18 82.316 -0.373 5.830 143 2HG PRO 18 2HG PRO 18 83.832 -1.043 6.453 144 1HD PRO 18 1HD PRO 18 81.766 -0.205 8.041 145 2HD PRO 18 2HD PRO 18 83.464 -0.249 8.563 146 H LEU 19 H LEU 19 80.910 1.454 6.369 147 HA LEU 19 HA LEU 19 80.250 3.190 4.096 148 1HB LEU 19 1HB LEU 19 78.845 1.130 5.798 149 2HB LEU 19 2HB LEU 19 77.956 2.074 4.603 150 HG LEU 19 HG LEU 19 80.451 0.477 3.964 151 1HD1 LEU 19 1HD1 LEU 19 78.182 -0.716 4.712 152 2HD1 LEU 19 2HD1 LEU 19 77.722 -0.340 3.052 153 3HD1 LEU 19 3HD1 LEU 19 79.143 -1.335 3.369 154 1HD2 LEU 19 1HD2 LEU 19 78.885 2.448 2.558 155 2HD2 LEU 19 2HD2 LEU 19 80.335 1.604 2.013 156 3HD2 LEU 19 3HD2 LEU 19 78.744 0.896 1.732 157 H LEU 20 H LEU 20 80.598 3.883 7.289 158 HA LEU 20 HA LEU 20 78.444 5.965 7.188 159 1HB LEU 20 1HB LEU 20 79.291 4.341 9.607 160 2HB LEU 20 2HB LEU 20 77.936 5.467 9.510 161 HG LEU 20 HG LEU 20 78.164 3.018 7.748 162 1HD1 LEU 20 1HD1 LEU 20 77.960 2.763 10.396 163 2HD1 LEU 20 2HD1 LEU 20 76.273 3.151 10.060 164 3HD1 LEU 20 3HD1 LEU 20 77.023 1.745 9.304 165 1HD2 LEU 20 1HD2 LEU 20 76.696 4.972 7.068 166 2HD2 LEU 20 2HD2 LEU 20 75.835 3.447 7.282 167 3HD2 LEU 20 3HD2 LEU 20 75.759 4.687 8.534 168 H ASP 21 H ASP 21 81.641 5.600 7.058 169 HA ASP 21 HA ASP 21 82.159 8.190 8.382 170 1HB ASP 21 1HB ASP 21 82.506 5.745 9.724 171 2HB ASP 21 2HB ASP 21 84.130 6.234 9.241 172 H PHE 22 H PHE 22 83.743 5.329 6.908 173 HA PHE 22 HA PHE 22 85.740 7.105 5.608 174 1HB PHE 22 1HB PHE 22 85.392 4.093 5.766 175 2HB PHE 22 2HB PHE 22 86.777 4.906 5.042 176 HD1 PHE 22 HD1 PHE 22 86.810 7.240 7.101 177 HD2 PHE 22 HD2 PHE 22 86.642 2.967 7.513 178 HE1 PHE 22 HE1 PHE 22 87.873 7.413 9.332 179 HE2 PHE 22 HE2 PHE 22 87.707 3.143 9.744 180 HZ PHE 22 HZ PHE 22 88.323 5.364 10.654 181 H ASN 23 H ASN 23 83.435 7.767 4.433 182 HA ASN 23 HA ASN 23 83.530 6.344 1.802 183 1HB ASN 23 1HB ASN 23 81.511 6.137 3.729 184 2HB ASN 23 2HB ASN 23 80.875 7.287 2.553 185 1HD2 ASN 23 2HD2 ASN 23 79.502 6.045 1.239 186 2HD2 ASN 23 1HD2 ASN 23 79.956 4.596 0.480 187 H ASN 24 H ASN 24 83.402 7.757 0.046 188 HA ASN 24 HA ASN 24 83.641 9.867 -1.020 189 1HB ASN 24 1HB ASN 24 81.151 9.355 -0.539 190 2HB ASN 24 2HB ASN 24 81.288 10.558 0.744 191 1HD2 ASN 24 2HD2 ASN 24 79.813 10.633 -1.952 192 2HD2 ASN 24 1HD2 ASN 24 80.366 12.060 -2.687 193 H TYR 25 H TYR 25 85.653 10.205 0.394 194 HA TYR 25 HA TYR 25 85.320 12.724 1.951 195 1HB TYR 25 1HB TYR 25 85.219 11.137 3.689 196 2HB TYR 25 2HB TYR 25 86.342 10.047 2.882 197 HD1 TYR 25 HD1 TYR 25 88.760 10.452 2.935 198 HD2 TYR 25 HD2 TYR 25 86.013 13.060 4.961 199 HE1 TYR 25 HE1 TYR 25 90.644 11.446 4.207 200 HE2 TYR 25 HE2 TYR 25 87.896 14.055 6.232 201 HH TYR 25 HH TYR 25 91.224 12.845 5.836 202 H GLY 26 H GLY 26 87.314 13.970 2.010 203 1HA GLY 26 1HA GLY 26 89.320 14.747 1.056 204 2HA GLY 26 2HA GLY 26 89.845 13.065 1.138 205 H CYS 27 H CYS 27 90.928 13.691 -0.941 206 HA CYS 27 HA CYS 27 89.058 13.784 -3.266 207 1HB CYS 27 1HB CYS 27 91.188 15.308 -2.644 208 2HB CYS 27 2HB CYS 27 92.017 14.033 -3.534 209 H TYR 28 H TYR 28 91.116 11.595 -1.566 210 HA TYR 28 HA TYR 28 91.413 9.857 -3.975 211 1HB TYR 28 1HB TYR 28 92.684 9.915 -1.224 212 2HB TYR 28 2HB TYR 28 93.025 8.671 -2.429 213 HD1 TYR 28 HD1 TYR 28 93.649 9.568 -4.831 214 HD2 TYR 28 HD2 TYR 28 93.994 11.854 -1.212 215 HE1 TYR 28 HE1 TYR 28 95.276 11.076 -5.939 216 HE2 TYR 28 HE2 TYR 28 95.619 13.364 -2.321 217 HH TYR 28 HH TYR 28 96.095 13.410 -5.671 218 H CYS 29 H CYS 29 90.261 9.738 -0.586 219 HA CYS 29 HA CYS 29 89.395 7.032 -0.570 220 1HB CYS 29 1HB CYS 29 88.133 9.422 0.803 221 2HB CYS 29 2HB CYS 29 88.081 7.749 1.348 222 H GLY 30 H GLY 30 88.241 6.403 -2.438 223 1HA GLY 30 1HA GLY 30 85.526 6.490 -2.622 224 2HA GLY 30 2HA GLY 30 85.975 8.013 -3.391 225 H LEU 31 H LEU 31 85.460 7.493 -5.526 226 HA LEU 31 HA LEU 31 86.327 4.958 -6.728 227 1HB LEU 31 1HB LEU 31 84.786 7.407 -7.477 228 2HB LEU 31 2HB LEU 31 85.467 6.444 -8.789 229 HG LEU 31 HG LEU 31 83.966 5.068 -6.583 230 1HD1 LEU 31 1HD1 LEU 31 82.499 6.913 -7.320 231 2HD1 LEU 31 2HD1 LEU 31 82.715 6.415 -8.997 232 3HD1 LEU 31 3HD1 LEU 31 81.875 5.356 -7.864 233 1HD2 LEU 31 1HD2 LEU 31 84.975 4.501 -9.293 234 2HD2 LEU 31 2HD2 LEU 31 84.638 3.390 -7.965 235 3HD2 LEU 31 3HD2 LEU 31 83.329 3.936 -9.013 236 H GLY 32 H GLY 32 87.092 8.420 -7.282 237 1HA GLY 32 1HA GLY 32 89.818 7.570 -8.142 238 2HA GLY 32 2HA GLY 32 88.891 8.679 -9.153 239 H GLY 33 H GLY 33 91.233 9.679 -8.330 240 1HA GLY 33 1HA GLY 33 90.415 11.876 -6.584 241 2HA GLY 33 2HA GLY 33 91.651 10.834 -5.876 242 H SER 34 H SER 34 91.805 13.679 -6.828 243 HA SER 34 HA SER 34 94.366 13.428 -8.233 244 1HB SER 34 1HB SER 34 93.421 14.873 -10.151 245 2HB SER 34 2HB SER 34 92.954 13.174 -10.131 246 HG SER 34 HG SER 34 91.394 15.041 -8.740 247 H GLY 35 H GLY 35 95.482 14.869 -6.964 248 1HA GLY 35 1HA GLY 35 95.788 17.435 -6.933 249 2HA GLY 35 2HA GLY 35 94.150 17.452 -6.274 250 H THR 36 H THR 36 96.039 18.593 -4.713 251 HA THR 36 HA THR 36 97.550 16.999 -2.943 252 HB THR 36 HB THR 36 95.983 19.559 -2.492 253 HG1 THR 36 HG1 THR 36 98.741 19.289 -2.977 254 1HG2 THR 36 1HG2 THR 36 96.749 18.332 -0.403 255 2HG2 THR 36 2HG2 THR 36 98.401 18.566 -0.973 256 3HG2 THR 36 3HG2 THR 36 97.391 19.963 -0.598 257 HA PRO 37 HA PRO 37 94.475 14.823 -0.647 258 1HB PRO 37 1HB PRO 37 95.937 14.295 1.609 259 2HB PRO 37 2HB PRO 37 96.185 13.440 0.074 260 1HG PRO 37 1HG PRO 37 97.741 15.685 1.261 261 2HG PRO 37 2HG PRO 37 98.311 14.260 0.376 262 1HD PRO 37 1HD PRO 37 98.099 16.728 -0.752 263 2HD PRO 37 2HD PRO 37 97.933 15.216 -1.672 264 H VAL 38 H VAL 38 93.512 14.938 1.707 265 HA VAL 38 HA VAL 38 93.368 17.828 2.492 266 HB VAL 38 HB VAL 38 91.102 17.115 3.354 267 1HG1 VAL 38 1HG1 VAL 38 91.764 16.619 0.437 268 2HG1 VAL 38 2HG1 VAL 38 90.124 16.799 1.060 269 3HG1 VAL 38 3HG1 VAL 38 91.259 18.145 1.163 270 1HG2 VAL 38 1HG2 VAL 38 92.099 14.604 3.290 271 2HG2 VAL 38 2HG2 VAL 38 90.370 14.943 3.193 272 3HG2 VAL 38 3HG2 VAL 38 91.293 14.633 1.722 273 H ASP 39 H ASP 39 93.985 14.570 3.636 274 HA ASP 39 HA ASP 39 95.080 15.596 6.146 275 1HB ASP 39 1HB ASP 39 92.405 15.372 6.132 276 2HB ASP 39 2HB ASP 39 92.805 13.699 6.523 277 H ASP 40 H ASP 40 95.527 13.534 7.633 278 HA ASP 40 HA ASP 40 97.262 11.773 6.235 279 1HB ASP 40 1HB ASP 40 96.057 12.067 8.924 280 2HB ASP 40 2HB ASP 40 96.615 10.440 8.531 281 H LEU 41 H LEU 41 93.820 11.483 7.037 282 HA LEU 41 HA LEU 41 93.546 8.683 6.464 283 1HB LEU 41 1HB LEU 41 91.958 10.299 7.663 284 2HB LEU 41 2HB LEU 41 91.472 10.856 6.061 285 HG LEU 41 HG LEU 41 90.663 8.681 5.453 286 1HD1 LEU 41 1HD1 LEU 41 92.076 7.798 7.976 287 2HD1 LEU 41 2HD1 LEU 41 90.858 6.798 7.185 288 3HD1 LEU 41 3HD1 LEU 41 92.338 7.229 6.328 289 1HD2 LEU 41 1HD2 LEU 41 89.906 9.566 8.236 290 2HD2 LEU 41 2HD2 LEU 41 88.995 9.748 6.737 291 3HD2 LEU 41 3HD2 LEU 41 89.140 8.161 7.494 292 H ASP 42 H ASP 42 92.987 11.584 4.426 293 HA ASP 42 HA ASP 42 92.223 10.267 2.036 294 1HB ASP 42 1HB ASP 42 92.483 12.804 2.799 295 2HB ASP 42 2HB ASP 42 94.053 12.649 2.010 296 H ARG 43 H ARG 43 95.436 11.013 3.358 297 HA ARG 43 HA ARG 43 97.082 10.183 1.223 298 1HB ARG 43 1HB ARG 43 97.230 10.272 4.221 299 2HB ARG 43 2HB ARG 43 98.549 9.511 3.330 300 1HG ARG 43 1HG ARG 43 97.829 11.983 2.046 301 2HG ARG 43 2HG ARG 43 98.137 12.277 3.757 302 1HD ARG 43 1HD ARG 43 100.175 12.367 2.188 303 2HD ARG 43 2HD ARG 43 100.339 11.331 3.611 304 HE ARG 43 HE ARG 43 99.196 9.796 1.534 305 1HH1 ARG 43 1HH1 ARG 43 101.940 9.914 3.262 306 2HH1 ARG 43 2HH1 ARG 43 103.032 9.486 1.988 307 1HH2 ARG 43 1HH2 ARG 43 100.668 9.877 -0.523 308 2HH2 ARG 43 2HH2 ARG 43 102.311 9.467 -0.159 309 H CYS 44 H CYS 44 95.423 8.305 3.720 310 HA CYS 44 HA CYS 44 96.632 5.789 3.242 311 1HB CYS 44 1HB CYS 44 93.779 6.391 4.070 312 2HB CYS 44 2HB CYS 44 94.713 4.951 4.474 313 H CYS 45 H CYS 45 93.676 7.261 1.898 314 HA CYS 45 HA CYS 45 92.985 5.069 0.170 315 1HB CYS 45 1HB CYS 45 92.418 8.037 -0.134 316 2HB CYS 45 2HB CYS 45 91.458 6.708 -0.787 317 H GLN 46 H GLN 46 94.663 8.169 -0.475 318 HA GLN 46 HA GLN 46 95.257 7.819 -3.204 319 1HB GLN 46 1HB GLN 46 95.690 9.797 -1.661 320 2HB GLN 46 2HB GLN 46 97.109 8.933 -1.071 321 1HG GLN 46 1HG GLN 46 97.918 8.797 -3.459 322 2HG GLN 46 2HG GLN 46 96.588 9.864 -3.905 323 1HE2 GLN 46 2HE2 GLN 46 98.690 11.183 -4.536 324 2HE2 GLN 46 1HE2 GLN 46 99.274 12.227 -3.340 325 H THR 47 H THR 47 96.823 6.469 -0.342 326 HA THR 47 HA THR 47 99.031 5.249 -1.742 327 HB THR 47 HB THR 47 97.784 4.638 0.953 328 HG1 THR 47 HG1 THR 47 100.030 6.249 0.651 329 1HG2 THR 47 1HG2 THR 47 99.796 3.303 -0.391 330 2HG2 THR 47 2HG2 THR 47 100.689 4.435 0.624 331 3HG2 THR 47 3HG2 THR 47 99.559 3.296 1.356 332 H HIS 48 H HIS 48 95.783 4.240 -0.794 333 HA HIS 48 HA HIS 48 96.097 1.420 -1.274 334 1HB HIS 48 1HB HIS 48 94.280 2.633 0.008 335 2HB HIS 48 2HB HIS 48 93.626 3.162 -1.542 336 HD1 HIS 48 HD1 HIS 48 91.471 1.757 -1.354 337 HD2 HIS 48 HD2 HIS 48 94.952 -0.522 -1.115 338 HE1 HIS 48 HE1 HIS 48 90.756 -0.664 -1.555 339 H ASP 49 H ASP 49 94.681 4.022 -3.287 340 HA ASP 49 HA ASP 49 94.215 2.477 -5.608 341 1HB ASP 49 1HB ASP 49 94.661 5.360 -4.923 342 2HB ASP 49 2HB ASP 49 94.606 4.904 -6.626 343 H ASN 50 H ASN 50 97.080 4.268 -4.527 344 HA ASN 50 HA ASN 50 98.693 3.978 -6.835 345 1HB ASN 50 1HB ASN 50 99.052 4.442 -3.904 346 2HB ASN 50 2HB ASN 50 100.490 4.084 -4.858 347 1HD2 ASN 50 2HD2 ASN 50 100.375 6.628 -3.782 348 2HD2 ASN 50 1HD2 ASN 50 100.024 7.771 -4.986 349 H CYS 51 H CYS 51 98.142 1.819 -4.075 350 HA CYS 51 HA CYS 51 100.198 -0.092 -4.694 351 1HB CYS 51 1HB CYS 51 98.736 0.321 -2.576 352 2HB CYS 51 2HB CYS 51 97.553 -0.709 -3.379 353 H TYR 52 H TYR 52 96.770 0.173 -5.639 354 HA TYR 52 HA TYR 52 96.510 -2.339 -6.964 355 1HB TYR 52 1HB TYR 52 95.217 0.366 -7.059 356 2HB TYR 52 2HB TYR 52 94.794 -0.808 -8.305 357 HD1 TYR 52 HD1 TYR 52 95.721 -1.496 -4.762 358 HD2 TYR 52 HD2 TYR 52 92.584 -1.424 -7.695 359 HE1 TYR 52 HE1 TYR 52 94.204 -2.644 -3.169 360 HE2 TYR 52 HE2 TYR 52 91.068 -2.569 -6.103 361 HH TYR 52 HH TYR 52 91.990 -3.117 -2.756 362 H LYS 53 H LYS 53 97.962 0.703 -7.962 363 HA LYS 53 HA LYS 53 98.137 0.088 -10.804 364 1HB LYS 53 1HB LYS 53 100.030 1.890 -9.297 365 2HB LYS 53 2HB LYS 53 99.336 2.121 -10.899 366 1HG LYS 53 1HG LYS 53 97.204 1.976 -9.003 367 2HG LYS 53 2HG LYS 53 98.389 3.129 -8.415 368 1HD LYS 53 1HD LYS 53 98.349 3.910 -10.966 369 2HD LYS 53 2HD LYS 53 96.727 3.223 -10.891 370 1HE LYS 53 1HE LYS 53 96.356 5.450 -10.213 371 2HE LYS 53 2HE LYS 53 96.554 4.622 -8.654 372 1HZ LYS 53 1HZ LYS 53 99.030 5.059 -9.005 373 2HZ LYS 53 2HZ LYS 53 98.549 6.199 -10.165 374 3HZ LYS 53 3HZ LYS 53 98.063 6.380 -8.546 375 H GLN 54 H GLN 54 100.474 0.177 -8.162 376 HA GLN 54 HA GLN 54 102.713 -0.915 -9.472 377 1HB GLN 54 1HB GLN 54 101.690 -1.025 -6.628 378 2HB GLN 54 2HB GLN 54 103.290 -1.615 -7.078 379 1HG GLN 54 1HG GLN 54 102.615 1.081 -8.093 380 2HG GLN 54 2HG GLN 54 102.786 0.959 -6.341 381 1HE2 GLN 54 2HE2 GLN 54 104.514 0.117 -9.384 382 2HE2 GLN 54 1HE2 GLN 54 106.068 0.241 -8.711 383 H ALA 55 H ALA 55 99.909 -2.501 -8.041 384 HA ALA 55 HA ALA 55 100.886 -5.191 -8.010 385 1HB ALA 55 1HB ALA 55 98.311 -3.728 -7.895 386 2HB ALA 55 2HB ALA 55 98.195 -5.411 -8.409 387 3HB ALA 55 3HB ALA 55 98.919 -5.012 -6.851 388 H LYS 56 H LYS 56 99.124 -3.351 -10.518 389 HA LYS 56 HA LYS 56 98.886 -5.514 -12.391 390 1HB LYS 56 1HB LYS 56 98.832 -2.507 -12.480 391 2HB LYS 56 2HB LYS 56 98.757 -3.427 -13.984 392 1HG LYS 56 1HG LYS 56 96.911 -4.798 -12.656 393 2HG LYS 56 2HG LYS 56 96.778 -3.295 -11.743 394 1HD LYS 56 1HD LYS 56 96.912 -2.601 -14.502 395 2HD LYS 56 2HD LYS 56 95.722 -3.895 -14.341 396 1HE LYS 56 1HE LYS 56 95.068 -2.340 -12.186 397 2HE LYS 56 2HE LYS 56 95.604 -1.110 -13.349 398 1HZ LYS 56 1HZ LYS 56 93.864 -3.337 -14.203 399 2HZ LYS 56 2HZ LYS 56 93.190 -1.946 -13.499 400 3HZ LYS 56 3HZ LYS 56 94.086 -1.818 -14.932 401 H LYS 57 H LYS 57 101.418 -3.057 -11.892 402 HA LYS 57 HA LYS 57 102.989 -3.574 -14.178 403 1HB LYS 57 1HB LYS 57 103.065 -2.026 -11.847 404 2HB LYS 57 2HB LYS 57 104.525 -3.015 -11.768 405 1HG LYS 57 1HG LYS 57 103.946 -1.858 -14.426 406 2HG LYS 57 2HG LYS 57 104.347 -0.684 -13.173 407 1HD LYS 57 1HD LYS 57 106.510 -1.373 -13.047 408 2HD LYS 57 2HD LYS 57 106.072 -3.077 -13.192 409 1HE LYS 57 1HE LYS 57 106.640 -3.057 -15.382 410 2HE LYS 57 2HE LYS 57 105.508 -1.724 -15.685 411 1HZ LYS 57 1HZ LYS 57 107.161 -0.189 -14.769 412 2HZ LYS 57 2HZ LYS 57 108.256 -1.473 -14.576 413 3HZ LYS 57 3HZ LYS 57 107.761 -1.002 -16.131 414 H LEU 58 H LEU 58 102.801 -5.258 -11.072 415 HA LEU 58 HA LEU 58 105.058 -6.814 -10.951 416 1HB LEU 58 1HB LEU 58 102.454 -6.840 -9.937 417 2HB LEU 58 2HB LEU 58 102.653 -8.436 -10.660 418 HG LEU 58 HG LEU 58 104.796 -8.695 -9.411 419 1HD1 LEU 58 1HD1 LEU 58 104.197 -5.890 -8.801 420 2HD1 LEU 58 2HD1 LEU 58 104.589 -6.837 -7.366 421 3HD1 LEU 58 3HD1 LEU 58 105.732 -6.755 -8.706 422 1HD2 LEU 58 1HD2 LEU 58 102.124 -8.375 -8.155 423 2HD2 LEU 58 2HD2 LEU 58 103.193 -9.777 -8.181 424 3HD2 LEU 58 3HD2 LEU 58 103.489 -8.462 -7.044 425 H ASP 59 H ASP 59 106.106 -7.867 -12.602 426 HA ASP 59 HA ASP 59 105.178 -8.572 -15.123 427 1HB ASP 59 1HB ASP 59 107.302 -9.423 -13.254 428 2HB ASP 59 2HB ASP 59 106.925 -10.603 -14.510 429 H SER 60 H SER 60 105.264 -10.780 -12.295 430 HA SER 60 HA SER 60 103.979 -12.993 -13.427 431 1HB SER 60 1HB SER 60 103.565 -11.957 -10.616 432 2HB SER 60 2HB SER 60 103.597 -13.636 -11.146 433 HG SER 60 HG SER 60 105.679 -13.585 -10.938 434 H CYS 61 H CYS 61 102.569 -10.020 -12.106 435 HA CYS 61 HA CYS 61 99.813 -10.984 -12.324 436 1HB CYS 61 1HB CYS 61 101.151 -8.321 -11.780 437 2HB CYS 61 2HB CYS 61 99.399 -8.524 -11.781 438 H LYS 62 H LYS 62 102.023 -9.010 -14.272 439 HA LYS 62 HA LYS 62 100.193 -7.858 -16.098 440 1HB LYS 62 1HB LYS 62 102.655 -7.428 -15.858 441 2HB LYS 62 2HB LYS 62 102.963 -8.976 -16.645 442 1HG LYS 62 1HG LYS 62 102.710 -8.022 -18.665 443 2HG LYS 62 2HG LYS 62 101.078 -7.508 -18.231 444 1HD LYS 62 1HD LYS 62 101.927 -5.406 -18.433 445 2HD LYS 62 2HD LYS 62 102.596 -5.712 -16.829 446 1HE LYS 62 1HE LYS 62 104.551 -5.131 -17.938 447 2HE LYS 62 2HE LYS 62 104.532 -6.868 -18.310 448 1HZ LYS 62 1HZ LYS 62 103.046 -6.206 -20.251 449 2HZ LYS 62 2HZ LYS 62 103.590 -4.622 -19.989 450 3HZ LYS 62 3HZ LYS 62 104.700 -5.845 -20.388 451 H VAL 63 H VAL 63 101.694 -11.092 -16.106 452 HA VAL 63 HA VAL 63 100.471 -11.864 -18.643 453 HB VAL 63 HB VAL 63 102.647 -12.654 -17.393 454 1HG1 VAL 63 1HG1 VAL 63 100.897 -13.465 -15.489 455 2HG1 VAL 63 2HG1 VAL 63 101.006 -14.940 -16.449 456 3HG1 VAL 63 3HG1 VAL 63 102.463 -14.233 -15.748 457 1HG2 VAL 63 1HG2 VAL 63 101.292 -13.581 -19.528 458 2HG2 VAL 63 2HG2 VAL 63 102.738 -14.377 -18.908 459 3HG2 VAL 63 3HG2 VAL 63 101.142 -14.985 -18.472 460 H LEU 64 H LEU 64 99.514 -11.868 -15.306 461 HA LEU 64 HA LEU 64 97.386 -13.887 -15.693 462 1HB LEU 64 1HB LEU 64 98.529 -12.239 -13.448 463 2HB LEU 64 2HB LEU 64 96.972 -13.043 -13.237 464 HG LEU 64 HG LEU 64 99.403 -14.534 -14.231 465 1HD1 LEU 64 1HD1 LEU 64 99.219 -13.325 -11.725 466 2HD1 LEU 64 2HD1 LEU 64 98.687 -14.981 -11.435 467 3HD1 LEU 64 3HD1 LEU 64 100.272 -14.675 -12.148 468 1HD2 LEU 64 1HD2 LEU 64 96.800 -15.336 -12.890 469 2HD2 LEU 64 2HD2 LEU 64 97.239 -15.617 -14.576 470 3HD2 LEU 64 3HD2 LEU 64 98.104 -16.454 -13.286 471 H VAL 65 H VAL 65 97.766 -10.549 -16.199 472 HA VAL 65 HA VAL 65 96.233 -8.779 -16.468 473 HB VAL 65 HB VAL 65 95.258 -11.350 -17.493 474 1HG1 VAL 65 1HG1 VAL 65 93.458 -8.915 -17.356 475 2HG1 VAL 65 2HG1 VAL 65 93.185 -10.257 -18.468 476 3HG1 VAL 65 3HG1 VAL 65 93.117 -10.526 -16.726 477 1HG2 VAL 65 1HG2 VAL 65 96.685 -9.209 -18.479 478 2HG2 VAL 65 2HG2 VAL 65 95.961 -10.482 -19.461 479 3HG2 VAL 65 3HG2 VAL 65 95.092 -8.970 -19.198 480 H ASP 66 H ASP 66 96.295 -10.299 -13.931 481 HA ASP 66 HA ASP 66 93.805 -10.690 -12.703 482 1HB ASP 66 1HB ASP 66 96.101 -11.211 -11.826 483 2HB ASP 66 2HB ASP 66 96.307 -9.493 -11.482 484 H ASN 67 H ASN 67 92.313 -9.025 -13.388 485 HA ASN 67 HA ASN 67 92.806 -6.210 -13.166 486 1HB ASN 67 1HB ASN 67 90.656 -8.070 -13.762 487 2HB ASN 67 2HB ASN 67 90.057 -6.716 -12.802 488 1HD2 ASN 67 2HD2 ASN 67 89.154 -5.273 -14.295 489 2HD2 ASN 67 1HD2 ASN 67 89.930 -4.736 -15.706 490 HA PRO 68 HA PRO 68 92.556 -5.798 -8.777 491 1HB PRO 68 1HB PRO 68 92.239 -3.085 -8.668 492 2HB PRO 68 2HB PRO 68 93.790 -3.862 -9.046 493 1HG PRO 68 1HG PRO 68 91.818 -2.589 -10.866 494 2HG PRO 68 2HG PRO 68 93.587 -2.600 -10.943 495 1HD PRO 68 1HD PRO 68 91.960 -4.189 -12.486 496 2HD PRO 68 2HD PRO 68 93.649 -4.573 -12.085 497 H TYR 69 H TYR 69 90.017 -5.172 -10.956 498 HA TYR 69 HA TYR 69 88.103 -4.548 -8.737 499 1HB TYR 69 1HB TYR 69 88.378 -3.881 -11.616 500 2HB TYR 69 2HB TYR 69 86.732 -4.174 -11.056 501 HD1 TYR 69 HD1 TYR 69 89.187 -2.973 -8.633 502 HD2 TYR 69 HD2 TYR 69 86.198 -1.754 -11.468 503 HE1 TYR 69 HE1 TYR 69 89.130 -0.716 -7.606 504 HE2 TYR 69 HE2 TYR 69 86.142 0.501 -10.441 505 HH TYR 69 HH TYR 69 86.828 1.342 -7.819 506 H THR 70 H THR 70 88.773 -7.150 -8.630 507 HA THR 70 HA THR 70 86.380 -8.594 -9.006 508 HB THR 70 HB THR 70 86.703 -8.340 -11.375 509 HG1 THR 70 HG1 THR 70 86.927 -10.457 -11.978 510 1HG2 THR 70 1HG2 THR 70 89.562 -8.962 -10.686 511 2HG2 THR 70 2HG2 THR 70 88.964 -9.221 -12.325 512 3HG2 THR 70 3HG2 THR 70 88.919 -7.608 -11.613 513 H ASN 71 H ASN 71 89.894 -8.638 -8.856 514 HA ASN 71 HA ASN 71 90.414 -11.333 -8.228 515 1HB ASN 71 1HB ASN 71 92.218 -9.825 -8.564 516 2HB ASN 71 2HB ASN 71 91.596 -8.688 -7.369 517 1HD2 ASN 71 2HD2 ASN 71 92.069 -12.249 -7.112 518 2HD2 ASN 71 1HD2 ASN 71 93.109 -12.164 -5.773 519 H ASN 72 H ASN 72 89.410 -12.538 -6.664 520 HA ASN 72 HA ASN 72 88.608 -11.177 -4.117 521 1HB ASN 72 1HB ASN 72 87.597 -13.660 -5.544 522 2HB ASN 72 2HB ASN 72 86.975 -13.076 -3.999 523 1HD2 ASN 72 2HD2 ASN 72 86.148 -13.067 -7.167 524 2HD2 ASN 72 1HD2 ASN 72 85.370 -11.563 -7.277 525 H TYR 73 H TYR 73 90.835 -11.503 -3.267 526 HA TYR 73 HA TYR 73 91.998 -14.144 -3.045 527 1HB TYR 73 1HB TYR 73 93.464 -12.914 -1.385 528 2HB TYR 73 2HB TYR 73 93.355 -12.144 -2.967 529 HD1 TYR 73 HD1 TYR 73 91.631 -12.145 0.369 530 HD2 TYR 73 HD2 TYR 73 92.814 -9.877 -3.084 531 HE1 TYR 73 HE1 TYR 73 90.770 -10.076 1.432 532 HE2 TYR 73 HE2 TYR 73 91.954 -7.809 -2.020 533 HH TYR 73 HH TYR 73 91.317 -6.912 0.011 534 H SER 74 H SER 74 92.291 -15.305 -0.979 535 HA SER 74 HA SER 74 89.816 -15.222 0.669 536 1HB SER 74 1HB SER 74 90.643 -17.317 -0.417 537 2HB SER 74 2HB SER 74 92.118 -17.199 0.538 538 HG SER 74 HG SER 74 90.535 -17.083 2.382 539 H TYR 75 H TYR 75 89.972 -13.925 2.463 540 HA TYR 75 HA TYR 75 92.563 -13.939 3.980 541 1HB TYR 75 1HB TYR 75 92.177 -11.606 4.430 542 2HB TYR 75 2HB TYR 75 91.896 -11.835 2.703 543 HD1 TYR 75 HD1 TYR 75 89.573 -11.938 1.804 544 HD2 TYR 75 HD2 TYR 75 90.358 -11.051 5.934 545 HE1 TYR 75 HE1 TYR 75 87.257 -11.091 2.064 546 HE2 TYR 75 HE2 TYR 75 88.041 -10.206 6.193 547 HH TYR 75 HH TYR 75 86.253 -9.175 4.426 548 H SER 76 H SER 76 91.775 -12.716 6.273 549 HA SER 76 HA SER 76 89.258 -13.835 7.291 550 1HB SER 76 1HB SER 76 91.480 -15.469 7.202 551 2HB SER 76 2HB SER 76 91.566 -14.811 8.833 552 HG SER 76 HG SER 76 89.772 -15.829 9.343 553 H CYS 77 H CYS 77 88.984 -13.227 9.639 554 HA CYS 77 HA CYS 77 90.693 -10.866 10.354 555 1HB CYS 77 1HB CYS 77 88.528 -10.123 9.642 556 2HB CYS 77 2HB CYS 77 87.724 -11.365 10.589 557 H SER 78 H SER 78 90.657 -10.432 12.715 558 HA SER 78 HA SER 78 89.755 -12.173 14.741 559 1HB SER 78 1HB SER 78 92.072 -13.409 14.988 560 2HB SER 78 2HB SER 78 90.882 -14.012 13.839 561 HG SER 78 HG SER 78 92.171 -13.475 12.265 562 H ASN 79 H ASN 79 90.488 -11.475 16.780 563 HA ASN 79 HA ASN 79 91.311 -9.782 18.233 564 1HB ASN 79 1HB ASN 79 93.812 -10.609 16.726 565 2HB ASN 79 2HB ASN 79 93.738 -9.993 18.378 566 1HD2 ASN 79 2HD2 ASN 79 94.121 -12.839 16.762 567 2HD2 ASN 79 1HD2 ASN 79 93.407 -13.908 17.871 568 H ASN 80 H ASN 80 90.156 -8.442 16.157 569 HA ASN 80 HA ASN 80 90.230 -6.509 14.846 570 1HB ASN 80 1HB ASN 80 92.294 -5.681 16.873 571 2HB ASN 80 2HB ASN 80 91.044 -4.708 16.130 572 1HD2 ASN 80 2HD2 ASN 80 89.087 -6.948 16.508 573 2HD2 ASN 80 1HD2 ASN 80 88.706 -6.864 18.139 574 H GLU 81 H GLU 81 91.924 -8.564 13.947 575 HA GLU 81 HA GLU 81 94.054 -6.968 12.666 576 1HB GLU 81 1HB GLU 81 94.245 -9.609 14.098 577 2HB GLU 81 2HB GLU 81 95.458 -9.116 12.913 578 1HG GLU 81 1HG GLU 81 95.110 -6.854 14.490 579 2HG GLU 81 2HG GLU 81 95.060 -8.184 15.637 580 H ILE 82 H ILE 82 94.531 -7.594 10.542 581 HA ILE 82 HA ILE 82 92.415 -9.206 9.231 582 HB ILE 82 HB ILE 82 94.668 -7.452 8.206 583 1HG1 ILE 82 1HG1 ILE 82 91.736 -6.843 8.007 584 2HG1 ILE 82 2HG1 ILE 82 92.564 -6.555 9.537 585 1HG2 ILE 82 1HG2 ILE 82 92.839 -9.309 6.868 586 2HG2 ILE 82 2HG2 ILE 82 92.726 -7.666 6.236 587 3HG2 ILE 82 3HG2 ILE 82 94.278 -8.505 6.240 588 1HD1 ILE 82 1HD1 ILE 82 93.414 -5.442 6.846 589 2HD1 ILE 82 2HD1 ILE 82 92.594 -4.533 8.116 590 3HD1 ILE 82 3HD1 ILE 82 94.224 -5.148 8.385 591 H THR 83 H THR 83 92.802 -11.155 8.232 592 HA THR 83 HA THR 83 95.598 -12.242 8.363 593 HB THR 83 HB THR 83 92.882 -13.276 9.081 594 HG1 THR 83 HG1 THR 83 94.444 -12.658 10.630 595 1HG2 THR 83 1HG2 THR 83 95.136 -15.056 8.105 596 2HG2 THR 83 2HG2 THR 83 93.668 -15.619 8.905 597 3HG2 THR 83 3HG2 THR 83 93.571 -14.847 7.322 598 H CYS 84 H CYS 84 96.261 -13.521 6.557 599 HA CYS 84 HA CYS 84 94.407 -13.587 4.207 600 1HB CYS 84 1HB CYS 84 96.576 -11.848 4.585 601 2HB CYS 84 2HB CYS 84 97.198 -13.106 3.516 602 H SER 85 H SER 85 94.539 -15.523 3.075 603 HA SER 85 HA SER 85 95.740 -17.827 4.200 604 1HB SER 85 1HB SER 85 94.739 -17.047 1.465 605 2HB SER 85 2HB SER 85 95.387 -18.658 1.758 606 HG SER 85 HG SER 85 93.154 -18.623 2.121 607 H SER 86 H SER 86 97.505 -19.158 3.130 608 HA SER 86 HA SER 86 99.864 -17.455 2.638 609 1HB SER 86 1HB SER 86 100.973 -19.740 2.686 610 2HB SER 86 2HB SER 86 100.062 -19.338 4.140 611 HG SER 86 HG SER 86 99.491 -21.397 3.473 612 H GLU 87 H GLU 87 97.598 -19.371 0.806 613 HA GLU 87 HA GLU 87 99.137 -20.035 -1.485 614 1HB GLU 87 1HB GLU 87 96.269 -19.498 -0.822 615 2HB GLU 87 2HB GLU 87 96.711 -19.625 -2.525 616 1HG GLU 87 1HG GLU 87 97.628 -21.832 -2.200 617 2HG GLU 87 2HG GLU 87 97.458 -21.699 -0.448 618 H ASN 88 H ASN 88 97.910 -16.962 -0.382 619 HA ASN 88 HA ASN 88 97.629 -15.407 -2.644 620 1HB ASN 88 1HB ASN 88 99.211 -14.694 -0.156 621 2HB ASN 88 2HB ASN 88 98.350 -13.569 -1.208 622 1HD2 ASN 88 2HD2 ASN 88 96.559 -12.879 -0.010 623 2HD2 ASN 88 1HD2 ASN 88 95.484 -13.913 0.802 624 H ASN 89 H ASN 89 98.976 -15.872 -4.422 625 HA ASN 89 HA ASN 89 101.869 -16.159 -4.156 626 1HB ASN 89 1HB ASN 89 101.705 -16.213 -6.651 627 2HB ASN 89 2HB ASN 89 100.562 -17.311 -5.879 628 1HD2 ASN 89 2HD2 ASN 89 100.122 -16.250 -8.525 629 2HD2 ASN 89 1HD2 ASN 89 98.763 -15.235 -8.464 630 H ALA 90 H ALA 90 102.983 -14.656 -6.109 631 HA ALA 90 HA ALA 90 103.537 -12.161 -5.047 632 1HB ALA 90 1HB ALA 90 103.475 -13.285 -7.838 633 2HB ALA 90 2HB ALA 90 103.988 -11.620 -7.566 634 3HB ALA 90 3HB ALA 90 104.871 -12.949 -6.815 635 H CYS 91 H CYS 91 100.841 -13.010 -7.204 636 HA CYS 91 HA CYS 91 99.933 -10.226 -7.431 637 1HB CYS 91 1HB CYS 91 99.682 -12.596 -8.860 638 2HB CYS 91 2HB CYS 91 98.076 -12.369 -8.169 639 H GLU 92 H GLU 92 98.348 -13.194 -6.162 640 HA GLU 92 HA GLU 92 96.216 -11.901 -4.824 641 1HB GLU 92 1HB GLU 92 97.749 -14.469 -4.360 642 2HB GLU 92 2HB GLU 92 96.314 -14.057 -3.424 643 1HG GLU 92 1HG GLU 92 95.878 -13.666 -6.276 644 2HG GLU 92 2HG GLU 92 96.353 -15.324 -5.913 645 H ALA 93 H ALA 93 99.562 -12.414 -3.843 646 HA ALA 93 HA ALA 93 99.147 -11.650 -1.056 647 1HB ALA 93 1HB ALA 93 100.954 -13.141 -1.852 648 2HB ALA 93 2HB ALA 93 101.627 -11.816 -2.801 649 3HB ALA 93 3HB ALA 93 101.622 -11.726 -1.040 650 H PHE 94 H PHE 94 100.445 -10.023 -3.966 651 HA PHE 94 HA PHE 94 101.112 -7.542 -2.699 652 1HB PHE 94 1HB PHE 94 101.764 -8.475 -4.990 653 2HB PHE 94 2HB PHE 94 100.166 -7.975 -5.545 654 HD1 PHE 94 HD1 PHE 94 99.523 -5.464 -4.752 655 HD2 PHE 94 HD2 PHE 94 103.501 -6.973 -5.335 656 HE1 PHE 94 HE1 PHE 94 100.354 -3.149 -5.070 657 HE2 PHE 94 HE2 PHE 94 104.333 -4.658 -5.652 658 HZ PHE 94 HZ PHE 94 102.760 -2.747 -5.521 659 H ILE 95 H ILE 95 98.094 -8.798 -4.055 660 HA ILE 95 HA ILE 95 96.674 -6.256 -3.909 661 HB ILE 95 HB ILE 95 95.729 -9.135 -4.108 662 1HG1 ILE 95 1HG1 ILE 95 97.351 -8.285 -5.884 663 2HG1 ILE 95 2HG1 ILE 95 95.788 -8.837 -6.488 664 1HG2 ILE 95 1HG2 ILE 95 94.374 -6.471 -4.322 665 2HG2 ILE 95 2HG2 ILE 95 93.831 -7.779 -5.373 666 3HG2 ILE 95 3HG2 ILE 95 93.778 -7.976 -3.622 667 1HD1 ILE 95 1HD1 ILE 95 95.861 -5.988 -5.727 668 2HD1 ILE 95 2HD1 ILE 95 96.903 -6.405 -7.087 669 3HD1 ILE 95 3HD1 ILE 95 95.175 -6.753 -7.160 670 H CYS 96 H CYS 96 96.998 -9.125 -1.834 671 HA CYS 96 HA CYS 96 94.985 -8.380 0.091 672 1HB CYS 96 1HB CYS 96 95.784 -10.644 -0.052 673 2HB CYS 96 2HB CYS 96 97.460 -10.130 0.138 674 H ASN 97 H ASN 97 98.200 -7.254 -0.543 675 HA ASN 97 HA ASN 97 98.642 -6.169 2.160 676 1HB ASN 97 1HB ASN 97 100.074 -5.951 -0.507 677 2HB ASN 97 2HB ASN 97 100.684 -5.251 0.989 678 1HD2 ASN 97 2HD2 ASN 97 102.372 -7.064 -0.045 679 2HD2 ASN 97 1HD2 ASN 97 102.280 -8.549 0.763 680 H CYS 98 H CYS 98 97.710 -4.985 -1.058 681 HA CYS 98 HA CYS 98 97.795 -2.178 -0.491 682 1HB CYS 98 1HB CYS 98 95.984 -3.748 -2.355 683 2HB CYS 98 2HB CYS 98 96.407 -2.044 -2.508 684 H ASP 99 H ASP 99 95.149 -4.565 -0.254 685 HA ASP 99 HA ASP 99 93.156 -2.683 0.657 686 1HB ASP 99 1HB ASP 99 93.526 -5.680 0.669 687 2HB ASP 99 2HB ASP 99 92.105 -4.943 1.410 688 H ARG 100 H ARG 100 95.342 -4.945 2.350 689 HA ARG 100 HA ARG 100 94.358 -4.396 5.001 690 1HB ARG 100 1HB ARG 100 95.811 -6.318 4.031 691 2HB ARG 100 2HB ARG 100 97.170 -5.220 4.272 692 1HG ARG 100 1HG ARG 100 96.152 -4.945 6.682 693 2HG ARG 100 2HG ARG 100 95.381 -6.490 6.321 694 1HD ARG 100 1HD ARG 100 98.188 -6.534 5.551 695 2HD ARG 100 2HD ARG 100 97.990 -6.151 7.268 696 HE ARG 100 HE ARG 100 96.221 -8.260 6.480 697 1HH1 ARG 100 1HH1 ARG 100 98.630 -7.535 8.587 698 2HH1 ARG 100 2HH1 ARG 100 99.384 -9.094 8.590 699 1HH2 ARG 100 1HH2 ARG 100 97.548 -10.282 5.902 700 2HH2 ARG 100 2HH2 ARG 100 98.773 -10.648 7.070 701 H ASN 101 H ASN 101 97.073 -3.071 3.099 702 HA ASN 101 HA ASN 101 98.171 -1.369 5.102 703 1HB ASN 101 1HB ASN 101 98.088 -1.473 2.099 704 2HB ASN 101 2HB ASN 101 98.829 -0.083 2.891 705 1HD2 ASN 101 2HD2 ASN 101 100.646 -1.439 1.511 706 2HD2 ASN 101 1HD2 ASN 101 101.577 -2.464 2.484 707 H ALA 102 H ALA 102 95.418 -0.943 2.923 708 HA ALA 102 HA ALA 102 95.084 1.899 3.454 709 1HB ALA 102 1HB ALA 102 93.475 -0.325 2.201 710 2HB ALA 102 2HB ALA 102 92.785 1.286 2.401 711 3HB ALA 102 3HB ALA 102 94.228 1.062 1.413 712 H ALA 103 H ALA 103 93.415 -1.063 4.584 713 HA ALA 103 HA ALA 103 91.571 0.268 6.333 714 1HB ALA 103 1HB ALA 103 92.786 -2.514 6.347 715 2HB ALA 103 2HB ALA 103 91.372 -2.038 7.288 716 3HB ALA 103 3HB ALA 103 91.304 -2.026 5.525 717 H ILE 104 H ILE 104 94.881 -0.931 6.808 718 HA ILE 104 HA ILE 104 94.954 -0.632 9.671 719 HB ILE 104 HB ILE 104 97.063 -0.599 7.490 720 1HG1 ILE 104 1HG1 ILE 104 96.313 -2.768 9.472 721 2HG1 ILE 104 2HG1 ILE 104 95.652 -2.677 7.839 722 1HG2 ILE 104 1HG2 ILE 104 97.589 0.466 9.854 723 2HG2 ILE 104 2HG2 ILE 104 97.662 -1.221 10.363 724 3HG2 ILE 104 3HG2 ILE 104 98.742 -0.634 9.100 725 1HD1 ILE 104 1HD1 ILE 104 98.620 -2.756 8.438 726 2HD1 ILE 104 2HD1 ILE 104 97.663 -4.189 8.060 727 3HD1 ILE 104 3HD1 ILE 104 97.845 -2.908 6.861 728 H CYS 105 H CYS 105 95.581 1.593 6.978 729 HA CYS 105 HA CYS 105 96.804 3.701 8.482 730 1HB CYS 105 1HB CYS 105 96.534 3.264 5.926 731 2HB CYS 105 2HB CYS 105 94.981 4.081 6.106 732 H PHE 106 H PHE 106 93.391 3.125 7.568 733 HA PHE 106 HA PHE 106 92.180 5.378 8.701 734 1HB PHE 106 1HB PHE 106 91.245 2.489 8.734 735 2HB PHE 106 2HB PHE 106 90.206 3.906 8.843 736 HD1 PHE 106 HD1 PHE 106 92.290 5.354 6.779 737 HD2 PHE 106 HD2 PHE 106 89.829 1.834 6.741 738 HE1 PHE 106 HE1 PHE 106 92.178 5.456 4.303 739 HE2 PHE 106 HE2 PHE 106 89.717 1.937 4.267 740 HZ PHE 106 HZ PHE 106 90.892 3.749 3.048 741 H SER 107 H SER 107 93.186 2.343 10.212 742 HA SER 107 HA SER 107 92.245 3.145 12.880 743 1HB SER 107 1HB SER 107 93.304 0.927 13.447 744 2HB SER 107 2HB SER 107 92.117 0.835 12.149 745 HG SER 107 HG SER 107 94.785 1.354 11.491 746 H LYS 108 H LYS 108 95.049 3.722 11.015 747 HA LYS 108 HA LYS 108 96.763 4.041 13.443 748 1HB LYS 108 1HB LYS 108 97.175 3.629 10.501 749 2HB LYS 108 2HB LYS 108 98.453 4.417 11.428 750 1HG LYS 108 1HG LYS 108 97.218 1.717 12.057 751 2HG LYS 108 2HG LYS 108 98.814 1.982 11.356 752 1HD LYS 108 1HD LYS 108 98.561 3.588 13.727 753 2HD LYS 108 2HD LYS 108 98.123 1.922 14.109 754 1HE LYS 108 1HE LYS 108 100.318 1.432 12.622 755 2HE LYS 108 2HE LYS 108 100.754 3.032 13.256 756 1HZ LYS 108 1HZ LYS 108 99.692 0.819 14.929 757 2HZ LYS 108 2HZ LYS 108 101.346 1.162 14.766 758 3HZ LYS 108 3HZ LYS 108 100.308 2.308 15.469 759 H VAL 109 H VAL 109 94.991 5.826 11.062 760 HA VAL 109 HA VAL 109 96.364 8.353 11.919 761 HB VAL 109 HB VAL 109 95.891 9.174 9.714 762 1HG1 VAL 109 1HG1 VAL 109 97.685 7.352 10.003 763 2HG1 VAL 109 2HG1 VAL 109 96.521 6.253 9.262 764 3HG1 VAL 109 3HG1 VAL 109 97.115 7.648 8.360 765 1HG2 VAL 109 1HG2 VAL 109 93.772 7.157 9.859 766 2HG2 VAL 109 2HG2 VAL 109 93.854 8.627 8.887 767 3HG2 VAL 109 3HG2 VAL 109 94.615 7.144 8.310 768 HA PRO 110 HA PRO 110 92.538 9.721 13.566 769 1HB PRO 110 1HB PRO 110 92.662 12.407 13.059 770 2HB PRO 110 2HB PRO 110 93.651 11.610 14.298 771 1HG PRO 110 1HG PRO 110 94.395 12.484 11.555 772 2HG PRO 110 2HG PRO 110 95.340 12.533 13.052 773 1HD PRO 110 1HD PRO 110 95.674 10.642 11.105 774 2HD PRO 110 2HD PRO 110 96.059 10.375 12.819 775 H TYR 111 H TYR 111 90.474 10.910 12.941 776 HA TYR 111 HA TYR 111 90.017 10.769 9.975 777 1HB TYR 111 1HB TYR 111 88.872 8.943 10.940 778 2HB TYR 111 2HB TYR 111 88.434 9.861 12.379 779 HD1 TYR 111 HD1 TYR 111 87.638 9.219 8.838 780 HD2 TYR 111 HD2 TYR 111 86.561 11.428 12.361 781 HE1 TYR 111 HE1 TYR 111 85.475 9.835 7.790 782 HE2 TYR 111 HE2 TYR 111 84.399 12.045 11.313 783 HH TYR 111 HH TYR 111 82.983 11.553 9.605 784 H ASN 112 H ASN 112 88.728 12.448 9.090 785 HA ASN 112 HA ASN 112 87.969 14.664 10.970 786 1HB ASN 112 1HB ASN 112 89.497 14.600 8.380 787 2HB ASN 112 2HB ASN 112 88.593 16.049 8.817 788 1HD2 ASN 112 2HD2 ASN 112 91.334 14.003 9.741 789 2HD2 ASN 112 1HD2 ASN 112 91.993 15.091 10.865 790 H LYS 113 H LYS 113 85.807 15.086 10.833 791 HA LYS 113 HA LYS 113 84.221 13.987 8.596 792 1HB LYS 113 1HB LYS 113 82.362 14.552 10.040 793 2HB LYS 113 2HB LYS 113 83.633 13.878 11.063 794 1HG LYS 113 1HG LYS 113 84.234 16.600 10.941 795 2HG LYS 113 2HG LYS 113 82.476 16.555 11.082 796 1HD LYS 113 1HD LYS 113 82.538 15.430 13.133 797 2HD LYS 113 2HD LYS 113 84.167 14.813 12.856 798 1HE LYS 113 1HE LYS 113 85.165 16.931 13.307 799 2HE LYS 113 2HE LYS 113 83.609 17.776 13.172 800 1HZ LYS 113 1HZ LYS 113 84.083 15.619 15.147 801 2HZ LYS 113 2HZ LYS 113 84.373 17.255 15.506 802 3HZ LYS 113 3HZ LYS 113 82.807 16.734 15.106 803 H GLU 114 H GLU 114 85.572 17.030 9.610 804 HA GLU 114 HA GLU 114 83.766 18.775 8.230 805 1HB GLU 114 1HB GLU 114 85.660 19.098 10.074 806 2HB GLU 114 2HB GLU 114 86.653 19.429 8.655 807 1HG GLU 114 1HG GLU 114 84.766 21.034 7.935 808 2HG GLU 114 2HG GLU 114 84.191 20.897 9.597 809 H HIS 115 H HIS 115 86.530 16.873 7.258 810 HA HIS 115 HA HIS 115 86.786 18.264 4.661 811 1HB HIS 115 1HB HIS 115 88.170 15.978 6.080 812 2HB HIS 115 2HB HIS 115 88.573 16.432 4.425 813 HD1 HIS 115 HD1 HIS 115 89.495 18.910 4.075 814 HD2 HIS 115 HD2 HIS 115 89.235 17.669 8.046 815 HE1 HIS 115 HE1 HIS 115 90.880 20.543 5.427 816 H LYS 116 H LYS 116 84.577 16.165 5.833 817 HA LYS 116 HA LYS 116 84.502 13.957 4.061 818 1HB LYS 116 1HB LYS 116 83.175 14.730 6.214 819 2HB LYS 116 2HB LYS 116 82.050 15.386 5.027 820 1HG LYS 116 1HG LYS 116 81.561 13.275 4.136 821 2HG LYS 116 2HG LYS 116 83.043 12.560 4.773 822 1HD LYS 116 1HD LYS 116 82.091 13.008 7.103 823 2HD LYS 116 2HD LYS 116 80.555 13.342 6.302 824 1HE LYS 116 1HE LYS 116 82.027 10.792 5.663 825 2HE LYS 116 2HE LYS 116 81.029 10.895 7.127 826 1HZ LYS 116 1HZ LYS 116 79.427 12.078 5.384 827 2HZ LYS 116 2HZ LYS 116 80.228 11.015 4.328 828 3HZ LYS 116 3HZ LYS 116 79.384 10.407 5.672 829 H ASN 117 H ASN 117 83.767 13.762 1.943 830 HA ASN 117 HA ASN 117 83.156 14.489 -0.226 831 1HB ASN 117 1HB ASN 117 81.322 16.224 1.461 832 2HB ASN 117 2HB ASN 117 81.040 15.717 -0.205 833 1HD2 ASN 117 2HD2 ASN 117 79.630 15.079 2.517 834 2HD2 ASN 117 1HD2 ASN 117 79.480 13.389 2.481 835 H LEU 118 H LEU 118 85.416 15.633 -0.133 836 HA LEU 118 HA LEU 118 85.571 18.428 0.366 837 1HB LEU 118 1HB LEU 118 87.574 17.278 0.514 838 2HB LEU 118 2HB LEU 118 87.136 16.192 -0.785 839 HG LEU 118 HG LEU 118 87.397 18.173 -2.342 840 1HD1 LEU 118 1HD1 LEU 118 87.774 19.526 0.073 841 2HD1 LEU 118 2HD1 LEU 118 89.402 19.376 -0.590 842 3HD1 LEU 118 3HD1 LEU 118 88.135 20.164 -1.531 843 1HD2 LEU 118 1HD2 LEU 118 88.993 16.244 -2.075 844 2HD2 LEU 118 2HD2 LEU 118 89.758 17.743 -2.604 845 3HD2 LEU 118 3HD2 LEU 118 89.893 17.230 -0.923 846 H ASP 119 H ASP 119 86.259 19.898 -1.505 847 HA ASP 119 HA ASP 119 84.258 19.691 -3.686 848 1HB ASP 119 1HB ASP 119 84.616 21.712 -2.171 849 2HB ASP 119 2HB ASP 119 86.159 21.947 -2.994 850 H LYS 120 H LYS 120 84.913 18.946 -5.670 851 HA LYS 120 HA LYS 120 87.535 18.167 -6.337 852 1HB LYS 120 1HB LYS 120 84.969 18.725 -7.752 853 2HB LYS 120 2HB LYS 120 86.415 18.543 -8.746 854 1HG LYS 120 1HG LYS 120 86.349 16.310 -8.488 855 2HG LYS 120 2HG LYS 120 86.398 16.490 -6.734 856 1HD LYS 120 1HD LYS 120 84.367 15.285 -7.398 857 2HD LYS 120 2HD LYS 120 83.944 16.857 -6.719 858 1HE LYS 120 1HE LYS 120 83.572 17.798 -8.911 859 2HE LYS 120 2HE LYS 120 84.246 16.357 -9.699 860 1HZ LYS 120 1HZ LYS 120 82.506 15.075 -8.409 861 2HZ LYS 120 2HZ LYS 120 81.759 16.571 -8.103 862 3HZ LYS 120 3HZ LYS 120 81.934 16.023 -9.699 863 H LYS 121 H LYS 121 86.127 21.315 -6.259 864 HA LYS 121 HA LYS 121 87.702 22.635 -8.265 865 1HB LYS 121 1HB LYS 121 85.838 23.227 -6.123 866 2HB LYS 121 2HB LYS 121 87.126 24.432 -6.182 867 1HG LYS 121 1HG LYS 121 86.216 23.740 -8.847 868 2HG LYS 121 2HG LYS 121 84.883 24.315 -7.847 869 1HD LYS 121 1HD LYS 121 86.059 26.354 -7.320 870 2HD LYS 121 2HD LYS 121 87.534 25.757 -8.082 871 1HE LYS 121 1HE LYS 121 86.387 27.302 -9.616 872 2HE LYS 121 2HE LYS 121 86.294 25.655 -10.272 873 1HZ LYS 121 1HZ LYS 121 84.223 26.948 -8.574 874 2HZ LYS 121 2HZ LYS 121 84.113 26.733 -10.256 875 3HZ LYS 121 3HZ LYS 121 84.141 25.384 -9.224 876 H ASN 122 H ASN 122 88.505 21.322 -5.256 877 HA ASN 122 HA ASN 122 90.895 23.058 -4.872 878 1HB ASN 122 1HB ASN 122 89.269 21.083 -3.325 879 2HB ASN 122 2HB ASN 122 90.970 21.238 -2.903 880 1HD2 ASN 122 2HD2 ASN 122 87.924 22.518 -2.235 881 2HD2 ASN 122 1HD2 ASN 122 88.403 24.016 -1.599 882 H CYS 123 H CYS 123 89.867 20.249 -6.379 883 HA CYS 123 HA CYS 123 92.577 18.993 -6.357 884 1HB CYS 123 1HB CYS 123 89.733 18.122 -6.410 885 2HB CYS 123 2HB CYS 123 90.874 17.128 -7.295
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