NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534858 | 2lmr | 18134 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 21 H MET 21 1.808 0.000 0.855 2 HA MET 21 HA MET 21 2.407 -1.015 -1.437 3 HB2 MET 21 HB2 MET 21 0.600 1.295 -2.057 4 HB3 MET 21 HB3 MET 21 1.861 0.839 -3.195 5 HG2 MET 21 HG2 MET 21 0.909 -1.480 -3.170 6 HG3 MET 21 HG3 MET 21 -0.443 -0.836 -2.242 7 HE1 MET 21 HE1 MET 21 0.049 -2.264 -5.314 8 HE2 MET 21 HE2 MET 21 -1.568 -2.212 -4.614 9 HE3 MET 21 HE3 MET 21 -1.280 -1.541 -6.220 10 H ILE 22 H ILE 22 4.461 -0.707 -0.685 11 HA ILE 22 HA ILE 22 5.598 1.706 0.134 12 HB ILE 22 HB ILE 22 7.786 0.639 -0.250 13 HG12 ILE 22 HG12 ILE 22 6.160 -1.617 -1.444 14 HG13 ILE 22 HG13 ILE 22 7.207 -0.530 -2.348 15 HG21 ILE 22 HG21 ILE 22 5.850 -1.324 0.959 16 HG22 ILE 22 HG22 ILE 22 7.547 -1.085 1.373 17 HG23 ILE 22 HG23 ILE 22 6.362 0.162 1.759 18 HD11 ILE 22 HD11 ILE 22 9.072 -1.369 -0.808 19 HD12 ILE 22 HD12 ILE 22 7.955 -2.673 -0.403 20 HD13 ILE 22 HD13 ILE 22 8.481 -2.447 -2.071 21 H SER 23 H SER 23 5.032 0.433 -3.042 22 HA SER 23 HA SER 23 6.620 2.604 -4.231 23 HB2 SER 23 HB2 SER 23 5.450 0.301 -5.776 24 HB3 SER 23 HB3 SER 23 6.830 1.319 -6.188 25 HG SER 23 HG SER 23 7.449 -0.764 -5.429 26 H GLY 24 H GLY 24 5.704 3.718 -6.103 27 HA2 GLY 24 HA2 GLY 24 3.005 3.559 -6.854 28 HA3 GLY 24 HA3 GLY 24 3.145 4.754 -5.573 29 H LEU 25 H LEU 25 2.645 4.757 -8.630 30 HA LEU 25 HA LEU 25 4.676 6.777 -9.311 31 HB2 LEU 25 HB2 LEU 25 3.333 4.662 -10.833 32 HB3 LEU 25 HB3 LEU 25 3.404 6.217 -11.658 33 HG LEU 25 HG LEU 25 5.259 4.804 -12.326 34 HD11 LEU 25 HD11 LEU 25 6.430 6.672 -12.529 35 HD12 LEU 25 HD12 LEU 25 6.950 6.542 -10.850 36 HD13 LEU 25 HD13 LEU 25 5.473 7.418 -11.249 37 HD21 LEU 25 HD21 LEU 25 6.985 4.152 -10.709 38 HD22 LEU 25 HD22 LEU 25 5.426 3.413 -10.340 39 HD23 LEU 25 HD23 LEU 25 5.993 4.794 -9.400 40 H ARG 26 H ARG 26 3.780 8.638 -8.547 41 HA ARG 26 HA ARG 26 1.327 9.522 -9.884 42 HB2 ARG 26 HB2 ARG 26 0.406 10.439 -7.851 43 HB3 ARG 26 HB3 ARG 26 0.727 8.727 -7.609 44 HG2 ARG 26 HG2 ARG 26 3.052 9.849 -6.744 45 HG3 ARG 26 HG3 ARG 26 1.862 11.063 -6.270 46 HD2 ARG 26 HD2 ARG 26 1.643 8.125 -5.633 47 HD3 ARG 26 HD3 ARG 26 2.307 9.333 -4.532 48 HE ARG 26 HE ARG 26 -0.230 10.185 -5.330 49 HH11 ARG 26 HH11 ARG 26 1.234 7.623 -3.483 50 HH12 ARG 26 HH12 ARG 26 -0.136 7.411 -2.445 51 HH21 ARG 26 HH21 ARG 26 -2.041 9.916 -3.970 52 HH22 ARG 26 HH22 ARG 26 -1.999 8.715 -2.724 53 H THR 27 H THR 27 1.001 11.972 -9.347 54 HA THR 27 HA THR 27 3.472 13.281 -10.111 55 HB THR 27 HB THR 27 2.107 15.265 -10.496 56 HG1 THR 27 HG1 THR 27 0.280 15.475 -9.463 57 HG21 THR 27 HG21 THR 27 1.495 14.438 -12.475 58 HG22 THR 27 HG22 THR 27 0.236 13.451 -11.732 59 HG23 THR 27 HG23 THR 27 1.882 12.832 -11.858 60 H LEU 28 H LEU 28 4.208 15.254 -9.075 61 HA LEU 28 HA LEU 28 3.959 15.067 -6.168 62 HB2 LEU 28 HB2 LEU 28 6.103 15.515 -7.896 63 HB3 LEU 28 HB3 LEU 28 5.812 17.069 -7.116 64 HG LEU 28 HG LEU 28 6.145 14.539 -5.529 65 HD11 LEU 28 HD11 LEU 28 8.242 16.322 -6.710 66 HD12 LEU 28 HD12 LEU 28 8.166 14.561 -6.680 67 HD13 LEU 28 HD13 LEU 28 8.525 15.453 -5.202 68 HD21 LEU 28 HD21 LEU 28 7.129 16.551 -4.041 69 HD22 LEU 28 HD22 LEU 28 5.440 16.043 -4.002 70 HD23 LEU 28 HD23 LEU 28 5.922 17.428 -4.982 71 H GLU 29 H GLU 29 1.896 16.273 -7.942 72 HA GLU 29 HA GLU 29 1.372 18.588 -6.348 73 HB2 GLU 29 HB2 GLU 29 2.472 18.893 -9.083 74 HB3 GLU 29 HB3 GLU 29 1.099 19.913 -8.677 75 HG2 GLU 29 HG2 GLU 29 2.836 20.084 -6.494 76 HG3 GLU 29 HG3 GLU 29 3.854 20.179 -7.930 77 H GLN 30 H GLN 30 -0.339 16.885 -6.083 78 HA GLN 30 HA GLN 30 -2.435 17.240 -8.124 79 HB2 GLN 30 HB2 GLN 30 -3.278 15.022 -7.560 80 HB3 GLN 30 HB3 GLN 30 -1.600 14.931 -8.078 81 HG2 GLN 30 HG2 GLN 30 -1.076 15.047 -5.543 82 HG3 GLN 30 HG3 GLN 30 -2.759 14.559 -5.354 83 HE21 GLN 30 HE21 GLN 30 -3.368 12.500 -5.865 84 HE22 GLN 30 HE22 GLN 30 -2.246 11.249 -6.268 85 H SER 31 H SER 31 -4.463 17.779 -7.449 86 HA SER 31 HA SER 31 -4.695 18.621 -4.660 87 HB2 SER 31 HB2 SER 31 -5.526 19.743 -7.109 88 HB3 SER 31 HB3 SER 31 -7.001 19.274 -6.264 89 HG SER 31 HG SER 31 -6.248 20.466 -4.461 90 H VAL 32 H VAL 32 -7.202 18.525 -3.977 91 HA VAL 32 HA VAL 32 -7.729 15.865 -3.329 92 HB VAL 32 HB VAL 32 -9.672 18.178 -3.404 93 HG11 VAL 32 HG11 VAL 32 -10.578 16.579 -1.443 94 HG12 VAL 32 HG12 VAL 32 -11.154 16.498 -3.109 95 HG13 VAL 32 HG13 VAL 32 -9.923 15.367 -2.544 96 HG21 VAL 32 HG21 VAL 32 -7.405 17.782 -1.816 97 HG22 VAL 32 HG22 VAL 32 -8.700 18.950 -1.558 98 HG23 VAL 32 HG23 VAL 32 -8.778 17.363 -0.792 99 H GLY 33 H GLY 33 -9.423 17.938 -5.693 100 HA2 GLY 33 HA2 GLY 33 -11.205 16.063 -6.682 101 HA3 GLY 33 HA3 GLY 33 -10.558 17.403 -7.616 102 H GLU 34 H GLU 34 -8.127 16.947 -8.259 103 HA GLU 34 HA GLU 34 -8.139 14.952 -10.178 104 HB2 GLU 34 HB2 GLU 34 -6.564 16.741 -10.353 105 HB3 GLU 34 HB3 GLU 34 -5.838 16.337 -8.804 106 HG2 GLU 34 HG2 GLU 34 -4.401 15.645 -10.614 107 HG3 GLU 34 HG3 GLU 34 -5.007 14.238 -9.742 108 H TRP 35 H TRP 35 -6.631 14.887 -6.957 109 HA TRP 35 HA TRP 35 -5.478 12.384 -7.038 110 HB2 TRP 35 HB2 TRP 35 -5.076 13.831 -5.165 111 HB3 TRP 35 HB3 TRP 35 -6.783 13.831 -4.729 112 HD1 TRP 35 HD1 TRP 35 -4.748 10.652 -5.520 113 HE1 TRP 35 HE1 TRP 35 -4.728 9.167 -3.418 114 HE3 TRP 35 HE3 TRP 35 -7.085 13.825 -2.263 115 HZ2 TRP 35 HZ2 TRP 35 -5.590 9.320 -0.735 116 HZ3 TRP 35 HZ3 TRP 35 -7.449 13.078 0.053 117 HH2 TRP 35 HH2 TRP 35 -6.717 10.872 0.800 118 H LEU 36 H LEU 36 -8.749 13.163 -5.846 119 HA LEU 36 HA LEU 36 -9.522 10.471 -5.468 120 HB2 LEU 36 HB2 LEU 36 -11.245 12.901 -5.933 121 HB3 LEU 36 HB3 LEU 36 -11.798 11.352 -5.299 122 HG LEU 36 HG LEU 36 -9.678 12.890 -3.853 123 HD11 LEU 36 HD11 LEU 36 -11.404 14.021 -2.555 124 HD12 LEU 36 HD12 LEU 36 -12.648 13.347 -3.608 125 HD13 LEU 36 HD13 LEU 36 -11.473 14.493 -4.253 126 HD21 LEU 36 HD21 LEU 36 -11.441 11.722 -2.079 127 HD22 LEU 36 HD22 LEU 36 -9.878 11.073 -2.577 128 HD23 LEU 36 HD23 LEU 36 -11.351 10.559 -3.402 129 H GLU 37 H GLU 37 -9.545 12.589 -8.231 130 HA GLU 37 HA GLU 37 -11.389 11.146 -9.821 131 HB2 GLU 37 HB2 GLU 37 -9.674 13.430 -10.120 132 HB3 GLU 37 HB3 GLU 37 -9.496 12.381 -11.519 133 HG2 GLU 37 HG2 GLU 37 -12.270 12.674 -10.831 134 HG3 GLU 37 HG3 GLU 37 -11.509 14.250 -11.037 135 H SER 38 H SER 38 -8.005 10.743 -9.122 136 HA SER 38 HA SER 38 -7.406 9.017 -11.309 137 HB2 SER 38 HB2 SER 38 -5.840 10.367 -9.628 138 HB3 SER 38 HB3 SER 38 -5.859 8.829 -8.766 139 HG SER 38 HG SER 38 -4.150 8.902 -10.260 140 H ILE 39 H ILE 39 -8.933 8.589 -8.255 141 HA ILE 39 HA ILE 39 -8.683 5.668 -8.459 142 HB ILE 39 HB ILE 39 -9.455 5.564 -6.151 143 HG12 ILE 39 HG12 ILE 39 -9.454 8.588 -6.202 144 HG13 ILE 39 HG13 ILE 39 -10.907 7.598 -6.278 145 HG21 ILE 39 HG21 ILE 39 -7.515 6.544 -5.073 146 HG22 ILE 39 HG22 ILE 39 -7.056 5.826 -6.616 147 HG23 ILE 39 HG23 ILE 39 -7.231 7.575 -6.475 148 HD11 ILE 39 HD11 ILE 39 -8.935 7.592 -4.007 149 HD12 ILE 39 HD12 ILE 39 -10.460 8.477 -4.031 150 HD13 ILE 39 HD13 ILE 39 -10.462 6.714 -4.081 151 H GLY 40 H GLY 40 -10.852 8.257 -8.931 152 HA2 GLY 40 HA2 GLY 40 -12.925 8.041 -10.031 153 HA3 GLY 40 HA3 GLY 40 -12.985 6.355 -9.539 154 H LEU 41 H LEU 41 -12.189 8.750 -7.176 155 HA LEU 41 HA LEU 41 -14.876 8.437 -6.008 156 HB2 LEU 41 HB2 LEU 41 -12.619 7.554 -4.894 157 HB3 LEU 41 HB3 LEU 41 -12.579 9.214 -4.303 158 HG LEU 41 HG LEU 41 -14.819 8.855 -3.295 159 HD11 LEU 41 HD11 LEU 41 -14.571 5.933 -3.465 160 HD12 LEU 41 HD12 LEU 41 -15.034 6.739 -4.963 161 HD13 LEU 41 HD13 LEU 41 -16.005 6.960 -3.508 162 HD21 LEU 41 HD21 LEU 41 -14.031 7.569 -1.418 163 HD22 LEU 41 HD22 LEU 41 -12.717 8.582 -2.016 164 HD23 LEU 41 HD23 LEU 41 -12.746 6.859 -2.395 165 H GLN 42 H GLN 42 -13.398 10.545 -7.790 166 HA GLN 42 HA GLN 42 -13.162 12.941 -6.407 167 HB2 GLN 42 HB2 GLN 42 -12.655 12.336 -8.895 168 HB3 GLN 42 HB3 GLN 42 -14.305 12.874 -9.178 169 HG2 GLN 42 HG2 GLN 42 -12.874 14.782 -7.569 170 HG3 GLN 42 HG3 GLN 42 -12.005 14.439 -9.064 171 HE21 GLN 42 HE21 GLN 42 -13.848 14.107 -10.916 172 HE22 GLN 42 HE22 GLN 42 -14.853 15.503 -11.083 173 H GLN 43 H GLN 43 -15.984 11.163 -7.272 174 HA GLN 43 HA GLN 43 -17.879 13.250 -7.267 175 HB2 GLN 43 HB2 GLN 43 -19.546 11.491 -6.942 176 HB3 GLN 43 HB3 GLN 43 -18.369 11.023 -8.161 177 HG2 GLN 43 HG2 GLN 43 -17.325 10.043 -5.787 178 HG3 GLN 43 HG3 GLN 43 -19.058 9.743 -5.668 179 HE21 GLN 43 HE21 GLN 43 -16.801 7.892 -6.007 180 HE22 GLN 43 HE22 GLN 43 -17.153 6.985 -7.435 181 H TYR 44 H TYR 44 -16.424 11.356 -4.701 182 HA TYR 44 HA TYR 44 -18.197 12.458 -2.688 183 HB2 TYR 44 HB2 TYR 44 -16.426 10.204 -2.881 184 HB3 TYR 44 HB3 TYR 44 -16.016 11.151 -1.455 185 HD1 TYR 44 HD1 TYR 44 -18.576 12.125 -0.510 186 HD2 TYR 44 HD2 TYR 44 -17.584 8.332 -2.163 187 HE1 TYR 44 HE1 TYR 44 -20.455 11.109 0.709 188 HE2 TYR 44 HE2 TYR 44 -19.461 7.306 -0.950 189 HH TYR 44 HH TYR 44 -21.034 7.618 0.614 190 H GLU 45 H GLU 45 -15.715 13.707 -4.347 191 HA GLU 45 HA GLU 45 -13.878 14.722 -2.555 192 HB2 GLU 45 HB2 GLU 45 -13.534 15.048 -4.895 193 HB3 GLU 45 HB3 GLU 45 -15.040 15.939 -5.058 194 HG2 GLU 45 HG2 GLU 45 -13.329 17.204 -3.128 195 HG3 GLU 45 HG3 GLU 45 -12.482 16.975 -4.657 196 H SER 46 H SER 46 -17.041 16.058 -3.447 197 HA SER 46 HA SER 46 -16.984 18.451 -2.096 198 HB2 SER 46 HB2 SER 46 -19.104 16.577 -2.944 199 HB3 SER 46 HB3 SER 46 -19.560 17.694 -1.658 200 HG SER 46 HG SER 46 -19.858 19.021 -3.265 201 H LYS 47 H LYS 47 -17.763 15.247 -0.802 202 HA LYS 47 HA LYS 47 -18.392 16.124 1.815 203 HB2 LYS 47 HB2 LYS 47 -17.655 13.474 0.613 204 HB3 LYS 47 HB3 LYS 47 -17.807 13.646 2.357 205 HG2 LYS 47 HG2 LYS 47 -19.877 12.832 1.531 206 HG3 LYS 47 HG3 LYS 47 -20.118 14.519 1.991 207 HD2 LYS 47 HD2 LYS 47 -20.414 15.204 -0.162 208 HD3 LYS 47 HD3 LYS 47 -19.330 13.974 -0.816 209 HE2 LYS 47 HE2 LYS 47 -20.999 12.510 -1.129 210 HE3 LYS 47 HE3 LYS 47 -21.742 12.885 0.425 211 HZ1 LYS 47 HZ1 LYS 47 -22.452 13.799 -2.169 212 HZ2 LYS 47 HZ2 LYS 47 -22.149 15.108 -1.142 213 HZ3 LYS 47 HZ3 LYS 47 -23.302 13.947 -0.714 214 H LEU 48 H LEU 48 -15.399 15.145 0.253 215 HA LEU 48 HA LEU 48 -13.884 15.198 2.705 216 HB2 LEU 48 HB2 LEU 48 -13.490 13.840 0.491 217 HB3 LEU 48 HB3 LEU 48 -12.612 15.291 0.010 218 HG LEU 48 HG LEU 48 -11.924 14.050 2.624 219 HD11 LEU 48 HD11 LEU 48 -10.412 12.469 1.559 220 HD12 LEU 48 HD12 LEU 48 -11.021 12.936 -0.029 221 HD13 LEU 48 HD13 LEU 48 -12.086 12.127 1.121 222 HD21 LEU 48 HD21 LEU 48 -10.649 15.728 0.531 223 HD22 LEU 48 HD22 LEU 48 -9.612 14.663 1.482 224 HD23 LEU 48 HD23 LEU 48 -10.605 15.878 2.288 225 H LEU 49 H LEU 49 -15.126 17.550 0.734 226 HA LEU 49 HA LEU 49 -12.914 19.417 1.238 227 HB2 LEU 49 HB2 LEU 49 -13.577 19.314 -1.069 228 HB3 LEU 49 HB3 LEU 49 -15.267 19.567 -0.638 229 HG LEU 49 HG LEU 49 -14.775 21.851 0.035 230 HD11 LEU 49 HD11 LEU 49 -11.942 21.178 -0.739 231 HD12 LEU 49 HD12 LEU 49 -12.534 21.600 0.868 232 HD13 LEU 49 HD13 LEU 49 -12.538 22.806 -0.418 233 HD21 LEU 49 HD21 LEU 49 -15.421 21.710 -2.208 234 HD22 LEU 49 HD22 LEU 49 -13.891 20.982 -2.698 235 HD23 LEU 49 HD23 LEU 49 -13.951 22.684 -2.241 236 H LEU 50 H LEU 50 -16.403 19.005 1.642 237 HA LEU 50 HA LEU 50 -16.846 21.480 2.950 238 HB2 LEU 50 HB2 LEU 50 -18.396 19.320 2.055 239 HB3 LEU 50 HB3 LEU 50 -18.698 19.448 3.787 240 HG LEU 50 HG LEU 50 -19.165 21.561 1.689 241 HD11 LEU 50 HD11 LEU 50 -20.947 20.035 1.662 242 HD12 LEU 50 HD12 LEU 50 -21.503 21.370 2.671 243 HD13 LEU 50 HD13 LEU 50 -20.947 19.872 3.418 244 HD21 LEU 50 HD21 LEU 50 -19.178 21.719 4.687 245 HD22 LEU 50 HD22 LEU 50 -20.145 22.810 3.694 246 HD23 LEU 50 HD23 LEU 50 -18.389 22.787 3.526 247 H ASN 51 H ASN 51 -15.465 18.529 3.972 248 HA ASN 51 HA ASN 51 -15.957 19.077 6.799 249 HB2 ASN 51 HB2 ASN 51 -16.012 16.731 5.592 250 HB3 ASN 51 HB3 ASN 51 -14.271 16.793 5.855 251 HD21 ASN 51 HD21 ASN 51 -17.270 16.080 7.200 252 HD22 ASN 51 HD22 ASN 51 -16.762 15.839 8.834 253 H GLY 52 H GLY 52 -14.137 20.646 4.932 254 HA2 GLY 52 HA2 GLY 52 -12.066 21.641 4.994 255 HA3 GLY 52 HA3 GLY 52 -12.216 21.449 6.735 256 H PHE 53 H PHE 53 -12.105 18.729 4.540 257 HA PHE 53 HA PHE 53 -9.511 17.986 5.709 258 HB2 PHE 53 HB2 PHE 53 -11.858 16.548 5.612 259 HB3 PHE 53 HB3 PHE 53 -10.954 15.897 4.249 260 HD1 PHE 53 HD1 PHE 53 -8.191 16.092 5.288 261 HD2 PHE 53 HD2 PHE 53 -11.790 14.835 7.180 262 HE1 PHE 53 HE1 PHE 53 -6.886 14.684 6.827 263 HE2 PHE 53 HE2 PHE 53 -10.491 13.425 8.723 264 HZ PHE 53 HZ PHE 53 -8.036 13.349 8.548 265 H ASP 54 H ASP 54 -10.456 19.554 3.138 266 HA ASP 54 HA ASP 54 -9.486 18.120 0.917 267 HB2 ASP 54 HB2 ASP 54 -9.766 20.081 -0.301 268 HB3 ASP 54 HB3 ASP 54 -10.892 20.314 1.034 269 H ASP 55 H ASP 55 -7.871 19.667 3.499 270 HA ASP 55 HA ASP 55 -5.494 20.532 2.394 271 HB2 ASP 55 HB2 ASP 55 -5.939 19.140 5.043 272 HB3 ASP 55 HB3 ASP 55 -4.468 20.004 4.604 273 H VAL 56 H VAL 56 -4.475 19.394 0.846 274 HA VAL 56 HA VAL 56 -4.254 16.554 0.851 275 HB VAL 56 HB VAL 56 -2.705 18.596 -0.751 276 HG11 VAL 56 HG11 VAL 56 -1.422 16.817 -1.231 277 HG12 VAL 56 HG12 VAL 56 -2.616 15.666 -0.625 278 HG13 VAL 56 HG13 VAL 56 -2.776 16.331 -2.252 279 HG21 VAL 56 HG21 VAL 56 -4.556 18.882 -1.942 280 HG22 VAL 56 HG22 VAL 56 -4.596 17.156 -2.300 281 HG23 VAL 56 HG23 VAL 56 -5.426 17.780 -0.874 282 H HIS 57 H HIS 57 -2.448 19.088 2.300 283 HA HIS 57 HA HIS 57 -0.058 17.457 2.632 284 HB2 HIS 57 HB2 HIS 57 -0.539 20.219 2.499 285 HB3 HIS 57 HB3 HIS 57 -0.051 19.910 4.163 286 HD1 HIS 57 HD1 HIS 57 1.292 20.406 0.829 287 HD2 HIS 57 HD2 HIS 57 2.540 18.533 4.321 288 HE1 HIS 57 HE1 HIS 57 3.774 20.095 0.574 289 H PHE 58 H PHE 58 -2.861 17.129 3.957 290 HA PHE 58 HA PHE 58 -1.839 16.832 6.705 291 HB2 PHE 58 HB2 PHE 58 -4.113 18.247 5.794 292 HB3 PHE 58 HB3 PHE 58 -4.710 16.814 6.624 293 HD1 PHE 58 HD2 PHE 58 -1.916 19.229 7.185 294 HD2 PHE 58 HD1 PHE 58 -5.318 17.233 8.786 295 HE1 PHE 58 HE2 PHE 58 -1.540 20.334 9.351 296 HE2 PHE 58 HE1 PHE 58 -4.948 18.335 10.955 297 HZ PHE 58 HZ PHE 58 -3.057 19.887 11.240 298 H LEU 59 H LEU 59 -2.947 15.243 3.960 299 HA LEU 59 HA LEU 59 -4.429 13.105 4.885 300 HB2 LEU 59 HB2 LEU 59 -2.352 13.212 2.709 301 HB3 LEU 59 HB3 LEU 59 -3.408 11.828 2.981 302 HG LEU 59 HG LEU 59 -4.391 14.599 2.310 303 HD11 LEU 59 HD11 LEU 59 -4.191 12.233 0.462 304 HD12 LEU 59 HD12 LEU 59 -3.005 13.537 0.511 305 HD13 LEU 59 HD13 LEU 59 -4.676 13.882 0.064 306 HD21 LEU 59 HD21 LEU 59 -5.768 11.915 2.340 307 HD22 LEU 59 HD22 LEU 59 -6.491 13.441 1.830 308 HD23 LEU 59 HD23 LEU 59 -6.000 13.215 3.510 309 H GLY 60 H GLY 60 -1.018 13.736 5.229 310 HA2 GLY 60 HA2 GLY 60 -0.540 11.044 6.279 311 HA3 GLY 60 HA3 GLY 60 0.688 12.250 5.924 312 H SER 61 H SER 61 -1.236 14.190 7.403 313 HA SER 61 HA SER 61 -0.007 13.745 10.007 314 HB2 SER 61 HB2 SER 61 0.092 15.990 8.919 315 HB3 SER 61 HB3 SER 61 -1.662 16.098 9.063 316 HG SER 61 HG SER 61 -1.462 16.544 11.112 317 H ASN 62 H ASN 62 -3.253 14.762 8.922 318 HA ASN 62 HA ASN 62 -4.614 14.273 11.270 319 HB2 ASN 62 HB2 ASN 62 -5.337 15.174 8.824 320 HB3 ASN 62 HB3 ASN 62 -6.068 13.572 8.788 321 HD21 ASN 62 HD21 ASN 62 -7.098 16.417 9.035 322 HD22 ASN 62 HD22 ASN 62 -8.197 16.343 10.367 323 H VAL 63 H VAL 63 -5.911 12.543 12.015 324 HA VAL 63 HA VAL 63 -4.750 10.041 12.030 325 HB VAL 63 HB VAL 63 -6.348 10.613 13.721 326 HG11 VAL 63 HG11 VAL 63 -8.664 11.008 13.330 327 HG12 VAL 63 HG12 VAL 63 -7.763 12.030 12.208 328 HG13 VAL 63 HG13 VAL 63 -8.520 10.543 11.635 329 HG21 VAL 63 HG21 VAL 63 -7.450 8.369 12.031 330 HG22 VAL 63 HG22 VAL 63 -6.121 8.232 13.182 331 HG23 VAL 63 HG23 VAL 63 -7.745 8.616 13.753 332 H MET 64 H MET 64 -7.422 11.201 10.001 333 HA MET 64 HA MET 64 -8.453 10.300 8.175 334 HB2 MET 64 HB2 MET 64 -5.540 9.749 7.776 335 HB3 MET 64 HB3 MET 64 -6.697 9.105 6.619 336 HG2 MET 64 HG2 MET 64 -7.207 11.890 7.180 337 HG3 MET 64 HG3 MET 64 -5.556 11.631 6.621 338 HE1 MET 64 HE1 MET 64 -9.303 12.091 5.145 339 HE2 MET 64 HE2 MET 64 -9.397 10.475 4.445 340 HE3 MET 64 HE3 MET 64 -9.140 10.671 6.179 341 H GLU 65 H GLU 65 -9.166 8.774 10.165 342 HA GLU 65 HA GLU 65 -8.478 5.995 9.568 343 HB2 GLU 65 HB2 GLU 65 -9.201 7.421 11.935 344 HB3 GLU 65 HB3 GLU 65 -10.401 6.168 11.654 345 HG2 GLU 65 HG2 GLU 65 -8.703 4.471 11.625 346 HG3 GLU 65 HG3 GLU 65 -7.432 5.689 11.729 347 H GLU 66 H GLU 66 -10.444 4.446 9.825 348 HA GLU 66 HA GLU 66 -12.102 4.739 7.631 349 HB2 GLU 66 HB2 GLU 66 -13.511 2.956 8.703 350 HB3 GLU 66 HB3 GLU 66 -11.799 2.573 8.584 351 HG2 GLU 66 HG2 GLU 66 -11.559 3.328 10.959 352 HG3 GLU 66 HG3 GLU 66 -13.317 3.436 11.029 353 H GLN 67 H GLN 67 -12.835 5.413 11.043 354 HA GLN 67 HA GLN 67 -15.498 6.170 10.729 355 HB2 GLN 67 HB2 GLN 67 -14.337 5.768 12.904 356 HB3 GLN 67 HB3 GLN 67 -13.533 7.321 12.715 357 HG2 GLN 67 HG2 GLN 67 -15.244 8.053 13.964 358 HG3 GLN 67 HG3 GLN 67 -16.088 8.088 12.416 359 HE21 GLN 67 HE21 GLN 67 -17.803 6.793 12.108 360 HE22 GLN 67 HE22 GLN 67 -18.401 5.663 13.270 361 H ASP 68 H ASP 68 -12.531 8.018 10.323 362 HA ASP 68 HA ASP 68 -13.657 10.577 10.124 363 HB2 ASP 68 HB2 ASP 68 -11.096 9.429 9.841 364 HB3 ASP 68 HB3 ASP 68 -11.408 10.308 8.347 365 H LEU 69 H LEU 69 -13.020 8.126 7.644 366 HA LEU 69 HA LEU 69 -13.966 9.738 5.487 367 HB2 LEU 69 HB2 LEU 69 -13.902 6.753 5.388 368 HB3 LEU 69 HB3 LEU 69 -13.548 7.920 4.116 369 HG LEU 69 HG LEU 69 -11.785 7.117 6.422 370 HD11 LEU 69 HD11 LEU 69 -11.131 5.612 4.913 371 HD12 LEU 69 HD12 LEU 69 -10.370 6.964 4.075 372 HD13 LEU 69 HD13 LEU 69 -11.981 6.426 3.600 373 HD21 LEU 69 HD21 LEU 69 -11.320 9.373 6.332 374 HD22 LEU 69 HD22 LEU 69 -11.670 9.486 4.607 375 HD23 LEU 69 HD23 LEU 69 -10.175 8.728 5.156 376 H ARG 70 H ARG 70 -15.451 7.657 7.812 377 HA ARG 70 HA ARG 70 -17.869 7.230 6.316 378 HB2 ARG 70 HB2 ARG 70 -17.004 5.652 8.059 379 HB3 ARG 70 HB3 ARG 70 -17.404 6.856 9.277 380 HG2 ARG 70 HG2 ARG 70 -19.552 6.279 9.285 381 HG3 ARG 70 HG3 ARG 70 -19.641 6.269 7.523 382 HD2 ARG 70 HD2 ARG 70 -18.184 4.043 7.933 383 HD3 ARG 70 HD3 ARG 70 -19.138 4.061 9.416 384 HE ARG 70 HE ARG 70 -20.877 4.490 7.281 385 HH11 ARG 70 HH11 ARG 70 -18.797 1.983 8.509 386 HH12 ARG 70 HH12 ARG 70 -19.759 0.691 7.870 387 HH21 ARG 70 HH21 ARG 70 -22.152 2.798 6.435 388 HH22 ARG 70 HH22 ARG 70 -21.667 1.156 6.690 389 H ASP 71 H ASP 71 -16.781 9.415 8.856 390 HA ASP 71 HA ASP 71 -19.302 10.573 9.412 391 HB2 ASP 71 HB2 ASP 71 -17.133 10.704 10.791 392 HB3 ASP 71 HB3 ASP 71 -16.674 12.015 9.707 393 H ILE 72 H ILE 72 -16.833 11.231 7.018 394 HA ILE 72 HA ILE 72 -17.977 13.724 6.167 395 HB ILE 72 HB ILE 72 -16.392 13.583 4.288 396 HG12 ILE 72 HG12 ILE 72 -15.556 10.942 5.503 397 HG13 ILE 72 HG13 ILE 72 -16.510 11.103 4.033 398 HG21 ILE 72 HG21 ILE 72 -15.272 12.995 7.021 399 HG22 ILE 72 HG22 ILE 72 -14.308 13.566 5.661 400 HG23 ILE 72 HG23 ILE 72 -15.599 14.576 6.312 401 HD11 ILE 72 HD11 ILE 72 -13.631 11.562 4.488 402 HD12 ILE 72 HD12 ILE 72 -14.472 10.888 3.091 403 HD13 ILE 72 HD13 ILE 72 -14.444 12.633 3.348 404 H GLY 73 H GLY 73 -18.330 10.363 5.310 405 HA2 GLY 73 HA2 GLY 73 -20.731 10.266 4.228 406 HA3 GLY 73 HA3 GLY 73 -19.859 11.033 2.909 407 H ILE 74 H ILE 74 -17.417 9.623 3.178 408 HA ILE 74 HA ILE 74 -17.961 7.352 1.618 409 HB ILE 74 HB ILE 74 -15.446 7.885 3.202 410 HG12 ILE 74 HG12 ILE 74 -16.119 8.720 0.373 411 HG13 ILE 74 HG13 ILE 74 -16.123 9.801 1.762 412 HG21 ILE 74 HG21 ILE 74 -16.250 5.839 1.300 413 HG22 ILE 74 HG22 ILE 74 -14.773 6.673 0.822 414 HG23 ILE 74 HG23 ILE 74 -14.871 5.885 2.397 415 HD11 ILE 74 HD11 ILE 74 -14.037 10.252 1.092 416 HD12 ILE 74 HD12 ILE 74 -13.638 8.759 1.942 417 HD13 ILE 74 HD13 ILE 74 -13.885 8.741 0.196 418 H SER 75 H SER 75 -19.366 5.936 2.602 419 HA SER 75 HA SER 75 -18.431 4.666 5.089 420 HB2 SER 75 HB2 SER 75 -20.920 3.821 5.069 421 HB3 SER 75 HB3 SER 75 -20.547 5.454 5.619 422 HG SER 75 HG SER 75 -21.411 6.275 3.837 423 H ASP 76 H ASP 76 -18.066 4.188 1.991 424 HA ASP 76 HA ASP 76 -18.925 1.408 1.838 425 HB2 ASP 76 HB2 ASP 76 -18.142 3.485 -0.080 426 HB3 ASP 76 HB3 ASP 76 -17.491 1.892 -0.456 427 HA PRO 77 HA PRO 77 -15.062 -0.340 2.985 428 HB2 PRO 77 HB2 PRO 77 -15.114 -2.636 1.537 429 HB3 PRO 77 HB3 PRO 77 -16.128 -2.375 2.961 430 HG2 PRO 77 HG2 PRO 77 -16.833 -2.120 0.063 431 HG3 PRO 77 HG3 PRO 77 -17.765 -2.854 1.381 432 HD2 PRO 77 HD2 PRO 77 -18.277 -0.366 0.443 433 HD3 PRO 77 HD3 PRO 77 -18.531 -0.817 2.141 434 H GLN 78 H GLN 78 -15.740 -0.549 -0.510 435 HA GLN 78 HA GLN 78 -12.980 -0.673 -1.229 436 HB2 GLN 78 HB2 GLN 78 -13.836 -0.321 -3.548 437 HB3 GLN 78 HB3 GLN 78 -14.593 -1.665 -2.704 438 HG2 GLN 78 HG2 GLN 78 -16.619 -0.739 -2.798 439 HG3 GLN 78 HG3 GLN 78 -16.011 0.863 -2.383 440 HE21 GLN 78 HE21 GLN 78 -17.925 -0.154 -4.456 441 HE22 GLN 78 HE22 GLN 78 -17.355 0.520 -5.941 442 H HIS 79 H HIS 79 -14.899 1.828 -0.147 443 HA HIS 79 HA HIS 79 -13.367 3.865 -1.610 444 HB2 HIS 79 HB2 HIS 79 -15.934 4.077 -0.026 445 HB3 HIS 79 HB3 HIS 79 -15.091 5.454 -0.729 446 HD1 HIS 79 HD1 HIS 79 -17.637 5.511 -1.884 447 HD2 HIS 79 HD2 HIS 79 -14.901 2.703 -3.259 448 HE1 HIS 79 HE1 HIS 79 -18.474 4.811 -4.149 449 H ARG 80 H ARG 80 -13.835 2.427 1.483 450 HA ARG 80 HA ARG 80 -12.567 4.605 2.924 451 HB2 ARG 80 HB2 ARG 80 -14.094 2.211 3.611 452 HB3 ARG 80 HB3 ARG 80 -12.702 2.457 4.658 453 HG2 ARG 80 HG2 ARG 80 -13.565 4.863 4.900 454 HG3 ARG 80 HG3 ARG 80 -15.075 4.231 4.239 455 HD2 ARG 80 HD2 ARG 80 -13.657 3.338 6.744 456 HD3 ARG 80 HD3 ARG 80 -15.203 4.178 6.635 457 HE ARG 80 HE ARG 80 -15.246 1.706 5.223 458 HH11 ARG 80 HH11 ARG 80 -15.436 3.108 8.404 459 HH12 ARG 80 HH12 ARG 80 -16.364 1.802 9.066 460 HH21 ARG 80 HH21 ARG 80 -16.467 -0.018 6.083 461 HH22 ARG 80 HH22 ARG 80 -16.949 0.024 7.745 462 H ARG 81 H ARG 81 -11.838 1.263 1.996 463 HA ARG 81 HA ARG 81 -9.265 1.221 3.215 464 HB2 ARG 81 HB2 ARG 81 -10.945 -0.599 1.757 465 HB3 ARG 81 HB3 ARG 81 -9.316 -0.646 1.097 466 HG2 ARG 81 HG2 ARG 81 -9.757 -0.829 4.047 467 HG3 ARG 81 HG3 ARG 81 -9.949 -2.248 3.016 468 HD2 ARG 81 HD2 ARG 81 -7.636 -1.711 2.110 469 HD3 ARG 81 HD3 ARG 81 -7.487 -0.579 3.454 470 HE ARG 81 HE ARG 81 -8.261 -3.158 4.361 471 HH11 ARG 81 HH11 ARG 81 -5.529 -1.319 3.231 472 HH12 ARG 81 HH12 ARG 81 -4.365 -2.280 4.082 473 HH21 ARG 81 HH21 ARG 81 -6.738 -4.430 5.486 474 HH22 ARG 81 HH22 ARG 81 -5.054 -4.050 5.363 475 H LYS 82 H LYS 82 -10.484 2.207 0.101 476 HA LYS 82 HA LYS 82 -7.949 2.278 -1.217 477 HB2 LYS 82 HB2 LYS 82 -10.452 2.282 -2.142 478 HB3 LYS 82 HB3 LYS 82 -10.183 4.020 -2.130 479 HG2 LYS 82 HG2 LYS 82 -8.283 2.113 -3.458 480 HG3 LYS 82 HG3 LYS 82 -9.685 2.792 -4.288 481 HD2 LYS 82 HD2 LYS 82 -8.415 4.551 -4.796 482 HD3 LYS 82 HD3 LYS 82 -8.442 4.975 -3.082 483 HE2 LYS 82 HE2 LYS 82 -6.157 4.891 -3.910 484 HE3 LYS 82 HE3 LYS 82 -6.434 3.619 -2.722 485 HZ1 LYS 82 HZ1 LYS 82 -6.995 2.731 -5.373 486 HZ2 LYS 82 HZ2 LYS 82 -5.956 2.067 -4.216 487 HZ3 LYS 82 HZ3 LYS 82 -5.407 3.298 -5.238 488 H LEU 83 H LEU 83 -10.045 4.754 0.238 489 HA LEU 83 HA LEU 83 -8.338 6.936 -0.293 490 HB2 LEU 83 HB2 LEU 83 -10.859 6.616 0.727 491 HB3 LEU 83 HB3 LEU 83 -9.948 7.147 2.139 492 HG LEU 83 HG LEU 83 -11.056 9.004 0.969 493 HD11 LEU 83 HD11 LEU 83 -8.055 9.135 0.740 494 HD12 LEU 83 HD12 LEU 83 -8.959 9.335 2.240 495 HD13 LEU 83 HD13 LEU 83 -9.167 10.491 0.925 496 HD21 LEU 83 HD21 LEU 83 -10.302 7.699 -1.329 497 HD22 LEU 83 HD22 LEU 83 -9.193 9.069 -1.271 498 HD23 LEU 83 HD23 LEU 83 -10.936 9.342 -1.235 499 H LEU 84 H LEU 84 -8.289 4.469 2.119 500 HA LEU 84 HA LEU 84 -6.567 5.920 3.928 501 HB2 LEU 84 HB2 LEU 84 -8.080 3.461 3.956 502 HB3 LEU 84 HB3 LEU 84 -6.444 3.206 4.558 503 HG LEU 84 HG LEU 84 -6.762 4.717 6.346 504 HD11 LEU 84 HD11 LEU 84 -7.866 6.595 5.855 505 HD12 LEU 84 HD12 LEU 84 -9.316 5.696 6.301 506 HD13 LEU 84 HD13 LEU 84 -8.836 5.810 4.608 507 HD21 LEU 84 HD21 LEU 84 -9.277 3.097 5.958 508 HD22 LEU 84 HD22 LEU 84 -8.757 3.818 7.482 509 HD23 LEU 84 HD23 LEU 84 -7.783 2.557 6.724 510 H GLN 85 H GLN 85 -6.236 3.707 1.273 511 HA GLN 85 HA GLN 85 -3.497 3.031 1.847 512 HB2 GLN 85 HB2 GLN 85 -5.288 1.674 0.510 513 HB3 GLN 85 HB3 GLN 85 -4.765 2.668 -0.844 514 HG2 GLN 85 HG2 GLN 85 -3.241 1.084 -1.182 515 HG3 GLN 85 HG3 GLN 85 -2.388 1.809 0.179 516 HE21 GLN 85 HE21 GLN 85 -4.833 -0.619 -0.610 517 HE22 GLN 85 HE22 GLN 85 -4.418 -1.708 0.665 518 H ALA 86 H ALA 86 -5.188 5.140 -0.446 519 HA ALA 86 HA ALA 86 -2.794 6.077 -1.693 520 HB1 ALA 86 HB1 ALA 86 -4.151 7.336 -3.052 521 HB2 ALA 86 HB2 ALA 86 -5.265 6.060 -2.558 522 HB3 ALA 86 HB3 ALA 86 -5.331 7.640 -1.778 523 H ALA 87 H ALA 87 -4.452 6.859 1.197 524 HA ALA 87 HA ALA 87 -3.424 9.555 1.393 525 HB1 ALA 87 HB1 ALA 87 -4.378 9.363 3.751 526 HB2 ALA 87 HB2 ALA 87 -5.518 9.280 2.408 527 HB3 ALA 87 HB3 ALA 87 -5.021 7.804 3.235 528 H ARG 88 H ARG 88 -2.824 6.430 2.974 529 HA ARG 88 HA ARG 88 -0.679 7.451 4.577 530 HB2 ARG 88 HB2 ARG 88 -2.094 4.916 4.248 531 HB3 ARG 88 HB3 ARG 88 -0.369 4.706 4.520 532 HG2 ARG 88 HG2 ARG 88 -0.553 5.219 6.674 533 HG3 ARG 88 HG3 ARG 88 -1.524 6.652 6.328 534 HD2 ARG 88 HD2 ARG 88 -3.131 5.480 7.394 535 HD3 ARG 88 HD3 ARG 88 -3.332 4.733 5.810 536 HE ARG 88 HE ARG 88 -2.531 2.774 6.675 537 HH11 ARG 88 HH11 ARG 88 -1.719 5.384 8.832 538 HH12 ARG 88 HH12 ARG 88 -1.118 4.341 10.077 539 HH21 ARG 88 HH21 ARG 88 -1.742 1.390 8.308 540 HH22 ARG 88 HH22 ARG 88 -1.131 2.069 9.778 541 H SER 89 H SER 89 -0.981 6.232 1.382 542 HA SER 89 HA SER 89 1.704 5.321 1.058 543 HB2 SER 89 HB2 SER 89 -0.586 5.891 -0.783 544 HB3 SER 89 HB3 SER 89 1.029 5.695 -1.463 545 HG SER 89 HG SER 89 1.006 3.628 -0.961 546 H LEU 90 H LEU 90 0.403 8.372 1.417 547 HA LEU 90 HA LEU 90 2.050 9.830 -0.404 548 HB2 LEU 90 HB2 LEU 90 0.213 10.485 1.831 549 HB3 LEU 90 HB3 LEU 90 1.408 11.700 1.379 550 HG LEU 90 HG LEU 90 0.147 10.818 -1.001 551 HD11 LEU 90 HD11 LEU 90 -2.136 11.073 -0.645 552 HD12 LEU 90 HD12 LEU 90 -1.908 11.810 0.940 553 HD13 LEU 90 HD13 LEU 90 -1.617 10.084 0.719 554 HD21 LEU 90 HD21 LEU 90 0.827 12.969 -1.135 555 HD22 LEU 90 HD22 LEU 90 0.494 13.298 0.565 556 HD23 LEU 90 HD23 LEU 90 -0.825 13.287 -0.607 557 HA PRO 91 HA PRO 91 5.823 10.225 1.800 558 HB2 PRO 91 HB2 PRO 91 6.495 12.818 1.356 559 HB3 PRO 91 HB3 PRO 91 6.568 11.578 0.099 560 HG2 PRO 91 HG2 PRO 91 4.446 13.624 0.620 561 HG3 PRO 91 HG3 PRO 91 5.149 13.109 -0.925 562 HD2 PRO 91 HD2 PRO 91 2.750 12.212 -0.045 563 HD3 PRO 91 HD3 PRO 91 3.837 11.217 -1.036 564 H LYS 92 H LYS 92 7.014 11.929 3.314 565 HA LYS 92 HA LYS 92 7.116 12.763 5.430 566 HB2 LYS 92 HB2 LYS 92 4.428 13.991 4.815 567 HB3 LYS 92 HB3 LYS 92 5.640 14.580 5.945 568 HG2 LYS 92 HG2 LYS 92 5.970 14.453 2.954 569 HG3 LYS 92 HG3 LYS 92 5.558 15.898 3.880 570 HD2 LYS 92 HD2 LYS 92 7.864 14.719 5.053 571 HD3 LYS 92 HD3 LYS 92 8.129 14.830 3.311 572 HE2 LYS 92 HE2 LYS 92 6.931 17.210 4.558 573 HE3 LYS 92 HE3 LYS 92 8.580 16.848 5.064 574 HZ1 LYS 92 HZ1 LYS 92 9.008 18.083 3.228 575 HZ2 LYS 92 HZ2 LYS 92 7.574 17.652 2.442 576 HZ3 LYS 92 HZ3 LYS 92 8.877 16.574 2.474 577 H VAL 93 H VAL 93 6.461 10.239 5.626 578 HA VAL 93 HA VAL 93 4.192 10.141 7.507 579 HB VAL 93 HB VAL 93 3.827 8.787 5.469 580 HG11 VAL 93 HG11 VAL 93 5.287 7.275 4.664 581 HG12 VAL 93 HG12 VAL 93 6.468 8.203 5.591 582 HG13 VAL 93 HG13 VAL 93 5.770 6.732 6.270 583 HG21 VAL 93 HG21 VAL 93 4.199 6.775 7.618 584 HG22 VAL 93 HG22 VAL 93 3.170 8.164 7.965 585 HG23 VAL 93 HG23 VAL 93 2.792 7.105 6.607 586 H LYS 94 H LYS 94 4.441 8.992 9.426 587 HA LYS 94 HA LYS 94 6.875 9.145 10.728 588 HB2 LYS 94 HB2 LYS 94 5.872 7.553 12.387 589 HB3 LYS 94 HB3 LYS 94 4.860 8.939 12.002 590 HG2 LYS 94 HG2 LYS 94 3.204 7.614 11.375 591 HG3 LYS 94 HG3 LYS 94 4.249 6.783 10.222 592 HD2 LYS 94 HD2 LYS 94 4.738 5.088 11.679 593 HD3 LYS 94 HD3 LYS 94 4.536 6.110 13.104 594 HE2 LYS 94 HE2 LYS 94 2.630 4.907 13.317 595 HE3 LYS 94 HE3 LYS 94 2.017 6.124 12.199 596 HZ1 LYS 94 HZ1 LYS 94 3.042 4.310 10.517 597 HZ2 LYS 94 HZ2 LYS 94 1.421 4.347 10.999 598 HZ3 LYS 94 HZ3 LYS 94 2.510 3.308 11.772 599 H ALA 95 H ALA 95 8.696 8.194 10.073 600 HA ALA 95 HA ALA 95 8.943 5.901 8.532 601 HB1 ALA 95 HB1 ALA 95 11.242 6.010 10.136 602 HB2 ALA 95 HB2 ALA 95 11.022 6.678 8.518 603 HB3 ALA 95 HB3 ALA 95 10.703 7.678 9.935 604 H LEU 96 H LEU 96 8.637 3.814 8.933 605 HA LEU 96 HA LEU 96 8.410 2.940 11.726 606 HB2 LEU 96 HB2 LEU 96 6.693 2.588 9.649 607 HB3 LEU 96 HB3 LEU 96 7.613 1.086 9.592 608 HG LEU 96 HG LEU 96 6.985 1.225 12.235 609 HD11 LEU 96 HD11 LEU 96 4.846 2.038 12.600 610 HD12 LEU 96 HD12 LEU 96 4.454 2.068 10.881 611 HD13 LEU 96 HD13 LEU 96 5.558 3.267 11.554 612 HD21 LEU 96 HD21 LEU 96 5.087 -0.350 11.572 613 HD22 LEU 96 HD22 LEU 96 6.718 -0.783 11.059 614 HD23 LEU 96 HD23 LEU 96 5.593 -0.062 9.907 615 H GLY 97 H GLY 97 10.173 2.434 8.764 616 HA2 GLY 97 HA2 GLY 97 12.394 1.285 9.980 617 HA3 GLY 97 HA3 GLY 97 11.377 -0.042 9.439 618 H TYR 98 H TYR 98 14.055 0.771 8.546 619 HA TYR 98 HA TYR 98 15.249 0.937 6.618 620 HB2 TYR 98 HB2 TYR 98 12.621 0.076 5.392 621 HB3 TYR 98 HB3 TYR 98 14.162 0.108 4.544 622 HD1 TYR 98 HD2 TYR 98 16.102 -1.178 5.954 623 HD2 TYR 98 HD1 TYR 98 11.928 -1.986 6.136 624 HE1 TYR 98 HE2 TYR 98 16.583 -3.460 6.738 625 HE2 TYR 98 HE1 TYR 98 12.398 -4.269 6.921 626 HH TYR 98 HH TYR 98 13.972 -5.789 7.329 627 H ASP 99 H ASP 99 15.703 3.098 6.561 628 HA ASP 99 HA ASP 99 13.823 5.068 5.703 629 HB2 ASP 99 HB2 ASP 99 15.808 5.452 7.240 630 HB3 ASP 99 HB3 ASP 99 16.824 5.379 5.803 631 H GLY 100 H GLY 100 13.732 6.200 3.763 632 HA2 GLY 100 HA2 GLY 100 15.407 5.223 1.557 633 HA3 GLY 100 HA3 GLY 100 13.660 5.130 1.392 634 H ASN 101 H ASN 101 14.208 6.478 -0.537 635 HA ASN 101 HA ASN 101 14.186 9.321 0.226 636 HB2 ASN 101 HB2 ASN 101 15.489 9.848 -1.788 637 HB3 ASN 101 HB3 ASN 101 16.380 8.766 -0.722 638 HD21 ASN 101 HD21 ASN 101 17.381 7.186 -1.714 639 HD22 ASN 101 HD22 ASN 101 16.902 6.442 -3.198 Start of MODEL 2 1 H MET 21 H MET 21 20.584 8.941 -7.467 2 HA MET 21 HA MET 21 18.309 8.661 -7.225 3 HB2 MET 21 HB2 MET 21 17.601 6.425 -8.245 4 HB3 MET 21 HB3 MET 21 18.585 7.487 -9.243 5 HG2 MET 21 HG2 MET 21 20.267 6.028 -9.348 6 HG3 MET 21 HG3 MET 21 20.140 5.612 -7.641 7 HE1 MET 21 HE1 MET 21 20.099 2.964 -7.412 8 HE2 MET 21 HE2 MET 21 18.780 3.847 -6.642 9 HE3 MET 21 HE3 MET 21 18.448 2.352 -7.518 10 H ILE 22 H ILE 22 19.884 7.931 -4.825 11 HA ILE 22 HA ILE 22 18.604 5.629 -3.674 12 HB ILE 22 HB ILE 22 19.723 6.331 -1.575 13 HG12 ILE 22 HG12 ILE 22 20.988 8.531 -3.206 14 HG13 ILE 22 HG13 ILE 22 19.589 8.807 -2.174 15 HG21 ILE 22 HG21 ILE 22 21.738 5.488 -2.222 16 HG22 ILE 22 HG22 ILE 22 20.799 5.101 -3.663 17 HG23 ILE 22 HG23 ILE 22 21.840 6.525 -3.645 18 HD11 ILE 22 HD11 ILE 22 21.702 7.430 -0.764 19 HD12 ILE 22 HD12 ILE 22 22.245 8.966 -1.441 20 HD13 ILE 22 HD13 ILE 22 20.853 8.921 -0.359 21 H SER 23 H SER 23 17.448 5.805 -1.555 22 HA SER 23 HA SER 23 15.662 6.494 -0.326 23 HB2 SER 23 HB2 SER 23 15.704 8.652 0.440 24 HB3 SER 23 HB3 SER 23 17.296 8.619 -0.319 25 HG SER 23 HG SER 23 16.335 10.401 -1.131 26 H GLY 24 H GLY 24 13.509 7.739 -0.506 27 HA2 GLY 24 HA2 GLY 24 12.170 6.840 -2.814 28 HA3 GLY 24 HA3 GLY 24 11.508 7.938 -1.612 29 H LEU 25 H LEU 25 10.909 8.159 -4.319 30 HA LEU 25 HA LEU 25 11.665 10.881 -4.788 31 HB2 LEU 25 HB2 LEU 25 12.683 10.535 -6.978 32 HB3 LEU 25 HB3 LEU 25 13.632 9.795 -5.691 33 HG LEU 25 HG LEU 25 11.770 7.924 -6.914 34 HD11 LEU 25 HD11 LEU 25 13.885 9.186 -8.652 35 HD12 LEU 25 HD12 LEU 25 12.141 9.260 -8.902 36 HD13 LEU 25 HD13 LEU 25 12.986 7.718 -9.036 37 HD21 LEU 25 HD21 LEU 25 14.775 7.871 -6.726 38 HD22 LEU 25 HD22 LEU 25 13.681 6.500 -6.909 39 HD23 LEU 25 HD23 LEU 25 13.700 7.418 -5.403 40 H ARG 26 H ARG 26 10.921 11.321 -7.306 41 HA ARG 26 HA ARG 26 9.119 11.590 -8.666 42 HB2 ARG 26 HB2 ARG 26 9.301 8.759 -8.142 43 HB3 ARG 26 HB3 ARG 26 7.619 9.234 -8.336 44 HG2 ARG 26 HG2 ARG 26 9.161 10.491 -10.374 45 HG3 ARG 26 HG3 ARG 26 9.551 8.771 -10.336 46 HD2 ARG 26 HD2 ARG 26 6.694 9.595 -10.193 47 HD3 ARG 26 HD3 ARG 26 7.522 9.689 -11.747 48 HE ARG 26 HE ARG 26 7.955 7.166 -10.539 49 HH11 ARG 26 HH11 ARG 26 5.535 9.038 -12.200 50 HH12 ARG 26 HH12 ARG 26 4.714 7.652 -12.838 51 HH21 ARG 26 HH21 ARG 26 6.882 5.333 -11.372 52 HH22 ARG 26 HH22 ARG 26 5.480 5.545 -12.365 53 H THR 27 H THR 27 7.956 13.177 -7.701 54 HA THR 27 HA THR 27 5.760 12.313 -5.942 55 HB THR 27 HB THR 27 6.256 14.962 -5.238 56 HG1 THR 27 HG1 THR 27 8.330 15.257 -5.478 57 HG21 THR 27 HG21 THR 27 6.921 14.008 -3.077 58 HG22 THR 27 HG22 THR 27 7.104 12.425 -3.833 59 HG23 THR 27 HG23 THR 27 5.513 13.179 -3.739 60 H LEU 28 H LEU 28 4.120 14.239 -5.744 61 HA LEU 28 HA LEU 28 3.866 15.874 -8.100 62 HB2 LEU 28 HB2 LEU 28 2.461 13.316 -7.849 63 HB3 LEU 28 HB3 LEU 28 1.411 14.684 -8.213 64 HG LEU 28 HG LEU 28 3.856 14.259 -9.870 65 HD11 LEU 28 HD11 LEU 28 1.436 12.525 -9.819 66 HD12 LEU 28 HD12 LEU 28 3.121 12.106 -10.126 67 HD13 LEU 28 HD13 LEU 28 2.174 12.917 -11.372 68 HD21 LEU 28 HD21 LEU 28 1.180 15.552 -10.140 69 HD22 LEU 28 HD22 LEU 28 2.032 15.010 -11.586 70 HD23 LEU 28 HD23 LEU 28 2.783 16.189 -10.510 71 H GLU 29 H GLU 29 2.192 17.433 -7.934 72 HA GLU 29 HA GLU 29 1.270 17.822 -5.174 73 HB2 GLU 29 HB2 GLU 29 2.575 19.547 -6.873 74 HB3 GLU 29 HB3 GLU 29 0.898 20.044 -7.048 75 HG2 GLU 29 HG2 GLU 29 1.449 21.357 -5.298 76 HG3 GLU 29 HG3 GLU 29 0.993 19.914 -4.396 77 H GLN 30 H GLN 30 -0.093 15.984 -6.855 78 HA GLN 30 HA GLN 30 -2.305 16.966 -8.205 79 HB2 GLN 30 HB2 GLN 30 -3.346 14.786 -7.784 80 HB3 GLN 30 HB3 GLN 30 -1.660 14.610 -8.251 81 HG2 GLN 30 HG2 GLN 30 -1.323 14.635 -5.623 82 HG3 GLN 30 HG3 GLN 30 -2.986 14.052 -5.662 83 HE21 GLN 30 HE21 GLN 30 -0.934 12.512 -4.666 84 HE22 GLN 30 HE22 GLN 30 -0.668 11.165 -5.713 85 H SER 31 H SER 31 -4.229 17.800 -7.637 86 HA SER 31 HA SER 31 -4.607 18.604 -4.896 87 HB2 SER 31 HB2 SER 31 -5.405 19.594 -7.394 88 HB3 SER 31 HB3 SER 31 -6.898 19.098 -6.598 89 HG SER 31 HG SER 31 -5.386 21.252 -6.124 90 H VAL 32 H VAL 32 -7.072 18.481 -4.168 91 HA VAL 32 HA VAL 32 -7.563 15.836 -3.429 92 HB VAL 32 HB VAL 32 -9.495 18.157 -3.517 93 HG11 VAL 32 HG11 VAL 32 -10.743 16.106 -3.421 94 HG12 VAL 32 HG12 VAL 32 -9.702 15.483 -2.140 95 HG13 VAL 32 HG13 VAL 32 -10.764 16.856 -1.825 96 HG21 VAL 32 HG21 VAL 32 -8.496 18.925 -1.686 97 HG22 VAL 32 HG22 VAL 32 -8.606 17.348 -0.904 98 HG23 VAL 32 HG23 VAL 32 -7.227 17.725 -1.934 99 H GLY 33 H GLY 33 -9.346 17.829 -5.798 100 HA2 GLY 33 HA2 GLY 33 -11.131 15.920 -6.697 101 HA3 GLY 33 HA3 GLY 33 -10.508 17.231 -7.688 102 H GLU 34 H GLU 34 -8.123 16.776 -8.416 103 HA GLU 34 HA GLU 34 -8.162 14.715 -10.253 104 HB2 GLU 34 HB2 GLU 34 -6.600 16.536 -10.475 105 HB3 GLU 34 HB3 GLU 34 -5.802 16.097 -8.971 106 HG2 GLU 34 HG2 GLU 34 -4.489 15.428 -10.902 107 HG3 GLU 34 HG3 GLU 34 -5.016 14.027 -9.970 108 H TRP 35 H TRP 35 -6.585 14.752 -7.065 109 HA TRP 35 HA TRP 35 -5.421 12.253 -7.095 110 HB2 TRP 35 HB2 TRP 35 -4.986 13.749 -5.271 111 HB3 TRP 35 HB3 TRP 35 -6.686 13.769 -4.808 112 HD1 TRP 35 HD1 TRP 35 -4.669 10.562 -5.532 113 HE1 TRP 35 HE1 TRP 35 -4.618 9.143 -3.384 114 HE3 TRP 35 HE3 TRP 35 -6.950 13.838 -2.338 115 HZ2 TRP 35 HZ2 TRP 35 -5.437 9.380 -0.695 116 HZ3 TRP 35 HZ3 TRP 35 -7.279 13.166 0.005 117 HH2 TRP 35 HH2 TRP 35 -6.538 10.982 0.808 118 H LEU 36 H LEU 36 -8.665 13.045 -5.835 119 HA LEU 36 HA LEU 36 -9.417 10.364 -5.374 120 HB2 LEU 36 HB2 LEU 36 -11.146 12.784 -5.859 121 HB3 LEU 36 HB3 LEU 36 -11.703 11.246 -5.205 122 HG LEU 36 HG LEU 36 -9.553 12.763 -3.788 123 HD11 LEU 36 HD11 LEU 36 -11.347 14.386 -4.243 124 HD12 LEU 36 HD12 LEU 36 -11.201 14.000 -2.529 125 HD13 LEU 36 HD13 LEU 36 -12.504 13.293 -3.483 126 HD21 LEU 36 HD21 LEU 36 -9.802 10.986 -2.470 127 HD22 LEU 36 HD22 LEU 36 -11.269 10.477 -3.308 128 HD23 LEU 36 HD23 LEU 36 -11.363 11.665 -2.005 129 H GLU 37 H GLU 37 -9.496 12.393 -8.198 130 HA GLU 37 HA GLU 37 -11.368 10.895 -9.705 131 HB2 GLU 37 HB2 GLU 37 -9.696 13.188 -10.101 132 HB3 GLU 37 HB3 GLU 37 -9.507 12.099 -11.469 133 HG2 GLU 37 HG2 GLU 37 -12.280 12.350 -10.785 134 HG3 GLU 37 HG3 GLU 37 -11.559 13.942 -11.014 135 H SER 38 H SER 38 -7.972 10.531 -9.059 136 HA SER 38 HA SER 38 -7.400 8.752 -11.210 137 HB2 SER 38 HB2 SER 38 -5.837 10.150 -9.518 138 HB3 SER 38 HB3 SER 38 -5.781 8.575 -8.728 139 HG SER 38 HG SER 38 -5.190 9.057 -11.463 140 H ILE 39 H ILE 39 -8.845 8.395 -8.102 141 HA ILE 39 HA ILE 39 -8.577 5.473 -8.225 142 HB ILE 39 HB ILE 39 -9.334 5.435 -5.911 143 HG12 ILE 39 HG12 ILE 39 -9.377 8.455 -6.049 144 HG13 ILE 39 HG13 ILE 39 -10.819 7.446 -6.111 145 HG21 ILE 39 HG21 ILE 39 -7.213 5.700 -5.319 146 HG22 ILE 39 HG22 ILE 39 -6.914 6.525 -6.847 147 HG23 ILE 39 HG23 ILE 39 -7.372 7.453 -5.419 148 HD11 ILE 39 HD11 ILE 39 -9.833 8.527 -3.861 149 HD12 ILE 39 HD12 ILE 39 -10.783 7.041 -3.903 150 HD13 ILE 39 HD13 ILE 39 -9.022 6.961 -3.835 151 H GLY 40 H GLY 40 -10.808 8.037 -8.687 152 HA2 GLY 40 HA2 GLY 40 -12.877 7.748 -9.798 153 HA3 GLY 40 HA3 GLY 40 -12.909 6.078 -9.251 154 H LEU 41 H LEU 41 -12.164 8.647 -7.031 155 HA LEU 41 HA LEU 41 -14.833 8.329 -5.825 156 HB2 LEU 41 HB2 LEU 41 -12.644 7.412 -4.672 157 HB3 LEU 41 HB3 LEU 41 -12.480 9.095 -4.173 158 HG LEU 41 HG LEU 41 -14.757 8.923 -3.143 159 HD11 LEU 41 HD11 LEU 41 -15.941 6.982 -3.051 160 HD12 LEU 41 HD12 LEU 41 -14.507 5.966 -3.187 161 HD13 LEU 41 HD13 LEU 41 -15.161 6.763 -4.618 162 HD21 LEU 41 HD21 LEU 41 -12.355 7.423 -2.246 163 HD22 LEU 41 HD22 LEU 41 -13.853 7.211 -1.337 164 HD23 LEU 41 HD23 LEU 41 -13.154 8.820 -1.525 165 H GLN 42 H GLN 42 -13.329 10.383 -7.650 166 HA GLN 42 HA GLN 42 -13.061 12.808 -6.338 167 HB2 GLN 42 HB2 GLN 42 -12.604 12.136 -8.819 168 HB3 GLN 42 HB3 GLN 42 -14.254 12.685 -9.086 169 HG2 GLN 42 HG2 GLN 42 -12.782 14.619 -7.550 170 HG3 GLN 42 HG3 GLN 42 -11.935 14.228 -9.046 171 HE21 GLN 42 HE21 GLN 42 -13.551 16.593 -8.023 172 HE22 GLN 42 HE22 GLN 42 -14.641 16.936 -9.318 173 H GLN 43 H GLN 43 -15.926 11.059 -7.171 174 HA GLN 43 HA GLN 43 -17.785 13.174 -7.143 175 HB2 GLN 43 HB2 GLN 43 -19.477 11.441 -6.798 176 HB3 GLN 43 HB3 GLN 43 -18.322 10.957 -8.033 177 HG2 GLN 43 HG2 GLN 43 -17.276 9.966 -5.656 178 HG3 GLN 43 HG3 GLN 43 -19.011 9.672 -5.549 179 HE21 GLN 43 HE21 GLN 43 -16.728 7.833 -5.906 180 HE22 GLN 43 HE22 GLN 43 -17.088 6.928 -7.333 181 H TYR 44 H TYR 44 -16.329 11.265 -4.591 182 HA TYR 44 HA TYR 44 -18.061 12.423 -2.565 183 HB2 TYR 44 HB2 TYR 44 -16.395 10.090 -2.770 184 HB3 TYR 44 HB3 TYR 44 -15.937 11.017 -1.345 185 HD1 TYR 44 HD1 TYR 44 -18.414 12.091 -0.347 186 HD2 TYR 44 HD2 TYR 44 -17.665 8.284 -2.091 187 HE1 TYR 44 HE1 TYR 44 -20.332 11.159 0.879 188 HE2 TYR 44 HE2 TYR 44 -19.582 7.341 -0.872 189 HH TYR 44 HH TYR 44 -21.961 8.954 0.346 190 H GLU 45 H GLU 45 -15.718 13.723 -4.249 191 HA GLU 45 HA GLU 45 -13.777 14.612 -2.432 192 HB2 GLU 45 HB2 GLU 45 -13.371 14.878 -4.768 193 HB3 GLU 45 HB3 GLU 45 -14.840 15.818 -4.984 194 HG2 GLU 45 HG2 GLU 45 -13.117 17.060 -3.045 195 HG3 GLU 45 HG3 GLU 45 -12.259 16.776 -4.558 196 H SER 46 H SER 46 -16.924 15.950 -3.318 197 HA SER 46 HA SER 46 -16.820 18.412 -2.096 198 HB2 SER 46 HB2 SER 46 -19.370 17.082 -1.606 199 HB3 SER 46 HB3 SER 46 -19.012 18.490 -2.604 200 HG SER 46 HG SER 46 -18.356 17.069 -4.256 201 H LYS 47 H LYS 47 -17.587 15.284 -0.621 202 HA LYS 47 HA LYS 47 -18.136 16.291 1.964 203 HB2 LYS 47 HB2 LYS 47 -17.239 13.548 1.065 204 HB3 LYS 47 HB3 LYS 47 -17.784 13.928 2.694 205 HG2 LYS 47 HG2 LYS 47 -19.409 14.099 0.167 206 HG3 LYS 47 HG3 LYS 47 -19.574 12.908 1.458 207 HD2 LYS 47 HD2 LYS 47 -21.145 14.285 2.272 208 HD3 LYS 47 HD3 LYS 47 -19.789 15.272 2.820 209 HE2 LYS 47 HE2 LYS 47 -20.777 16.902 1.634 210 HE3 LYS 47 HE3 LYS 47 -20.051 16.099 0.242 211 HZ1 LYS 47 HZ1 LYS 47 -22.447 14.797 0.800 212 HZ2 LYS 47 HZ2 LYS 47 -22.077 15.760 -0.542 213 HZ3 LYS 47 HZ3 LYS 47 -22.776 16.457 0.832 214 H LEU 48 H LEU 48 -15.186 15.248 0.366 215 HA LEU 48 HA LEU 48 -13.600 15.393 2.768 216 HB2 LEU 48 HB2 LEU 48 -13.303 14.084 0.421 217 HB3 LEU 48 HB3 LEU 48 -12.253 15.473 0.149 218 HG LEU 48 HG LEU 48 -11.893 13.987 2.689 219 HD11 LEU 48 HD11 LEU 48 -10.460 12.325 1.571 220 HD12 LEU 48 HD12 LEU 48 -11.039 12.903 0.009 221 HD13 LEU 48 HD13 LEU 48 -12.162 12.152 1.141 222 HD21 LEU 48 HD21 LEU 48 -10.584 16.015 1.394 223 HD22 LEU 48 HD22 LEU 48 -9.609 14.605 0.979 224 HD23 LEU 48 HD23 LEU 48 -9.904 15.006 2.671 225 H LEU 49 H LEU 49 -14.909 17.674 0.747 226 HA LEU 49 HA LEU 49 -12.702 19.573 1.148 227 HB2 LEU 49 HB2 LEU 49 -13.425 19.379 -1.142 228 HB3 LEU 49 HB3 LEU 49 -15.101 19.663 -0.675 229 HG LEU 49 HG LEU 49 -14.570 21.965 -0.093 230 HD11 LEU 49 HD11 LEU 49 -12.317 21.750 0.685 231 HD12 LEU 49 HD12 LEU 49 -12.329 22.872 -0.676 232 HD13 LEU 49 HD13 LEU 49 -11.767 21.217 -0.904 233 HD21 LEU 49 HD21 LEU 49 -13.828 22.722 -2.412 234 HD22 LEU 49 HD22 LEU 49 -15.284 21.731 -2.314 235 HD23 LEU 49 HD23 LEU 49 -13.756 21.007 -2.821 236 H LEU 50 H LEU 50 -16.185 19.163 1.622 237 HA LEU 50 HA LEU 50 -16.601 21.670 2.881 238 HB2 LEU 50 HB2 LEU 50 -18.170 19.481 2.063 239 HB3 LEU 50 HB3 LEU 50 -18.467 19.694 3.788 240 HG LEU 50 HG LEU 50 -18.919 21.706 1.589 241 HD11 LEU 50 HD11 LEU 50 -20.978 20.891 1.569 242 HD12 LEU 50 HD12 LEU 50 -21.154 21.311 3.272 243 HD13 LEU 50 HD13 LEU 50 -20.549 19.719 2.815 244 HD21 LEU 50 HD21 LEU 50 -18.352 23.200 3.180 245 HD22 LEU 50 HD22 LEU 50 -18.574 22.048 4.496 246 HD23 LEU 50 HD23 LEU 50 -19.972 22.853 3.785 247 H ASN 51 H ASN 51 -15.277 18.698 3.954 248 HA ASN 51 HA ASN 51 -15.705 19.339 6.771 249 HB2 ASN 51 HB2 ASN 51 -15.718 16.947 5.486 250 HB3 ASN 51 HB3 ASN 51 -14.052 16.995 6.057 251 HD21 ASN 51 HD21 ASN 51 -17.240 16.318 6.850 252 HD22 ASN 51 HD22 ASN 51 -17.044 16.130 8.555 253 H GLY 52 H GLY 52 -13.863 20.794 4.835 254 HA2 GLY 52 HA2 GLY 52 -11.763 21.727 4.844 255 HA3 GLY 52 HA3 GLY 52 -11.886 21.573 6.590 256 H PHE 53 H PHE 53 -11.899 18.817 4.435 257 HA PHE 53 HA PHE 53 -9.322 17.998 5.588 258 HB2 PHE 53 HB2 PHE 53 -11.711 16.638 5.515 259 HB3 PHE 53 HB3 PHE 53 -10.849 15.957 4.140 260 HD1 PHE 53 HD1 PHE 53 -8.061 16.097 5.178 261 HD2 PHE 53 HD2 PHE 53 -11.688 14.877 7.044 262 HE1 PHE 53 HE1 PHE 53 -6.786 14.641 6.696 263 HE2 PHE 53 HE2 PHE 53 -10.418 13.421 8.566 264 HZ PHE 53 HZ PHE 53 -7.964 13.301 8.395 265 H ASP 54 H ASP 54 -10.203 19.598 3.024 266 HA ASP 54 HA ASP 54 -9.288 18.117 0.804 267 HB2 ASP 54 HB2 ASP 54 -9.535 20.068 -0.426 268 HB3 ASP 54 HB3 ASP 54 -10.632 20.356 0.922 269 H ASP 55 H ASP 55 -7.630 19.649 3.371 270 HA ASP 55 HA ASP 55 -5.230 20.425 2.237 271 HB2 ASP 55 HB2 ASP 55 -5.690 19.119 4.927 272 HB3 ASP 55 HB3 ASP 55 -4.221 19.971 4.459 273 H VAL 56 H VAL 56 -4.262 19.202 0.718 274 HA VAL 56 HA VAL 56 -4.105 16.356 0.848 275 HB VAL 56 HB VAL 56 -2.540 18.276 -0.883 276 HG11 VAL 56 HG11 VAL 56 -1.337 16.401 -1.248 277 HG12 VAL 56 HG12 VAL 56 -2.622 15.335 -0.676 278 HG13 VAL 56 HG13 VAL 56 -2.686 16.000 -2.308 279 HG21 VAL 56 HG21 VAL 56 -4.477 18.635 -1.919 280 HG22 VAL 56 HG22 VAL 56 -4.458 16.940 -2.406 281 HG23 VAL 56 HG23 VAL 56 -5.297 17.425 -0.933 282 H HIS 57 H HIS 57 -2.236 18.914 2.154 283 HA HIS 57 HA HIS 57 0.131 17.247 2.513 284 HB2 HIS 57 HB2 HIS 57 1.180 19.254 3.419 285 HB3 HIS 57 HB3 HIS 57 0.421 19.611 1.870 286 HD1 HIS 57 HD1 HIS 57 -1.384 21.379 1.838 287 HD2 HIS 57 HD2 HIS 57 -0.196 20.346 5.684 288 HE1 HIS 57 HE1 HIS 57 -2.467 23.068 3.354 289 H PHE 58 H PHE 58 -2.608 16.973 3.897 290 HA PHE 58 HA PHE 58 -1.572 16.924 6.655 291 HB2 PHE 58 HB2 PHE 58 -3.928 18.130 5.624 292 HB3 PHE 58 HB3 PHE 58 -4.427 16.763 6.616 293 HD1 PHE 58 HD2 PHE 58 -3.711 16.650 8.997 294 HD2 PHE 58 HD1 PHE 58 -3.084 20.106 6.592 295 HE1 PHE 58 HE2 PHE 58 -3.371 17.998 11.028 296 HE2 PHE 58 HE1 PHE 58 -2.741 21.459 8.619 297 HZ PHE 58 HZ PHE 58 -2.886 20.405 10.840 298 H LEU 59 H LEU 59 -2.611 15.077 4.045 299 HA LEU 59 HA LEU 59 -3.970 12.946 5.186 300 HB2 LEU 59 HB2 LEU 59 -2.163 13.223 2.829 301 HB3 LEU 59 HB3 LEU 59 -2.698 11.617 3.321 302 HG LEU 59 HG LEU 59 -4.064 12.551 1.506 303 HD11 LEU 59 HD11 LEU 59 -5.465 11.110 2.486 304 HD12 LEU 59 HD12 LEU 59 -6.269 12.549 3.111 305 HD13 LEU 59 HD13 LEU 59 -5.091 11.694 4.107 306 HD21 LEU 59 HD21 LEU 59 -3.803 14.933 2.245 307 HD22 LEU 59 HD22 LEU 59 -4.992 14.604 3.505 308 HD23 LEU 59 HD23 LEU 59 -5.445 14.465 1.806 309 H GLY 60 H GLY 60 -0.542 13.689 5.184 310 HA2 GLY 60 HA2 GLY 60 0.116 11.129 6.418 311 HA3 GLY 60 HA3 GLY 60 1.256 12.375 5.934 312 H SER 61 H SER 61 -1.449 13.462 7.722 313 HA SER 61 HA SER 61 0.096 13.412 10.223 314 HB2 SER 61 HB2 SER 61 0.089 15.656 8.841 315 HB3 SER 61 HB3 SER 61 -1.520 15.839 9.540 316 HG SER 61 HG SER 61 -0.186 16.758 10.998 317 H ASN 62 H ASN 62 -3.072 14.478 8.968 318 HA ASN 62 HA ASN 62 -4.541 14.163 11.282 319 HB2 ASN 62 HB2 ASN 62 -5.103 14.802 8.642 320 HB3 ASN 62 HB3 ASN 62 -6.037 13.334 8.916 321 HD21 ASN 62 HD21 ASN 62 -7.585 13.316 10.608 322 HD22 ASN 62 HD22 ASN 62 -8.288 14.790 11.172 323 H VAL 63 H VAL 63 -5.978 12.510 12.011 324 HA VAL 63 HA VAL 63 -4.883 9.995 12.279 325 HB VAL 63 HB VAL 63 -6.611 10.698 13.782 326 HG11 VAL 63 HG11 VAL 63 -8.876 11.107 13.160 327 HG12 VAL 63 HG12 VAL 63 -7.854 12.045 12.069 328 HG13 VAL 63 HG13 VAL 63 -8.589 10.541 11.514 329 HG21 VAL 63 HG21 VAL 63 -6.394 8.287 13.412 330 HG22 VAL 63 HG22 VAL 63 -8.055 8.733 13.806 331 HG23 VAL 63 HG23 VAL 63 -7.611 8.373 12.138 332 H MET 64 H MET 64 -7.336 11.073 9.949 333 HA MET 64 HA MET 64 -8.217 10.079 8.094 334 HB2 MET 64 HB2 MET 64 -5.561 10.372 7.734 335 HB3 MET 64 HB3 MET 64 -5.695 8.631 7.531 336 HG2 MET 64 HG2 MET 64 -5.859 9.620 5.383 337 HG3 MET 64 HG3 MET 64 -7.462 9.035 5.825 338 HE1 MET 64 HE1 MET 64 -9.017 11.729 4.067 339 HE2 MET 64 HE2 MET 64 -8.787 10.021 4.446 340 HE3 MET 64 HE3 MET 64 -9.717 11.051 5.537 341 H GLU 65 H GLU 65 -8.965 8.678 10.273 342 HA GLU 65 HA GLU 65 -8.333 5.873 9.935 343 HB2 GLU 65 HB2 GLU 65 -9.403 7.507 12.016 344 HB3 GLU 65 HB3 GLU 65 -10.563 6.234 11.665 345 HG2 GLU 65 HG2 GLU 65 -8.259 4.819 11.734 346 HG3 GLU 65 HG3 GLU 65 -7.911 6.087 12.907 347 H GLU 66 H GLU 66 -10.607 4.524 10.329 348 HA GLU 66 HA GLU 66 -11.889 4.702 7.769 349 HB2 GLU 66 HB2 GLU 66 -13.215 2.752 8.592 350 HB3 GLU 66 HB3 GLU 66 -11.475 2.516 8.673 351 HG2 GLU 66 HG2 GLU 66 -11.460 2.876 11.029 352 HG3 GLU 66 HG3 GLU 66 -13.150 3.376 11.016 353 H GLN 67 H GLN 67 -12.542 5.873 10.937 354 HA GLN 67 HA GLN 67 -15.376 6.199 10.557 355 HB2 GLN 67 HB2 GLN 67 -13.894 6.015 12.772 356 HB3 GLN 67 HB3 GLN 67 -13.921 7.766 12.624 357 HG2 GLN 67 HG2 GLN 67 -15.702 7.100 14.061 358 HG3 GLN 67 HG3 GLN 67 -16.395 7.673 12.545 359 HE21 GLN 67 HE21 GLN 67 -17.884 6.443 11.649 360 HE22 GLN 67 HE22 GLN 67 -18.139 4.763 11.962 361 H ASP 68 H ASP 68 -12.501 8.213 10.302 362 HA ASP 68 HA ASP 68 -13.703 10.714 10.061 363 HB2 ASP 68 HB2 ASP 68 -11.106 9.623 9.722 364 HB3 ASP 68 HB3 ASP 68 -11.467 10.560 8.276 365 H LEU 69 H LEU 69 -13.107 8.229 7.622 366 HA LEU 69 HA LEU 69 -14.073 9.830 5.449 367 HB2 LEU 69 HB2 LEU 69 -13.966 6.853 5.331 368 HB3 LEU 69 HB3 LEU 69 -13.590 8.039 4.083 369 HG LEU 69 HG LEU 69 -11.869 7.239 6.424 370 HD11 LEU 69 HD11 LEU 69 -11.186 5.706 4.957 371 HD12 LEU 69 HD12 LEU 69 -10.425 7.041 4.092 372 HD13 LEU 69 HD13 LEU 69 -12.030 6.485 3.618 373 HD21 LEU 69 HD21 LEU 69 -10.236 8.820 5.129 374 HD22 LEU 69 HD22 LEU 69 -11.373 9.482 6.304 375 HD23 LEU 69 HD23 LEU 69 -11.731 9.581 4.580 376 H ARG 70 H ARG 70 -15.482 7.707 7.788 377 HA ARG 70 HA ARG 70 -17.905 7.222 6.321 378 HB2 ARG 70 HB2 ARG 70 -16.990 5.673 8.061 379 HB3 ARG 70 HB3 ARG 70 -17.400 6.874 9.279 380 HG2 ARG 70 HG2 ARG 70 -19.534 6.251 9.317 381 HG3 ARG 70 HG3 ARG 70 -19.647 6.234 7.556 382 HD2 ARG 70 HD2 ARG 70 -18.138 4.040 7.953 383 HD3 ARG 70 HD3 ARG 70 -19.073 4.043 9.448 384 HE ARG 70 HE ARG 70 -20.866 4.427 7.366 385 HH11 ARG 70 HH11 ARG 70 -18.652 1.974 8.460 386 HH12 ARG 70 HH12 ARG 70 -19.580 0.662 7.812 387 HH21 ARG 70 HH21 ARG 70 -22.097 2.710 6.508 388 HH22 ARG 70 HH22 ARG 70 -21.539 1.082 6.700 389 H ASP 71 H ASP 71 -16.843 9.454 8.828 390 HA ASP 71 HA ASP 71 -19.388 10.551 9.404 391 HB2 ASP 71 HB2 ASP 71 -17.175 10.740 10.738 392 HB3 ASP 71 HB3 ASP 71 -16.820 12.094 9.667 393 H ILE 72 H ILE 72 -16.935 11.282 7.005 394 HA ILE 72 HA ILE 72 -18.147 13.733 6.146 395 HB ILE 72 HB ILE 72 -16.577 13.619 4.255 396 HG12 ILE 72 HG12 ILE 72 -15.676 10.998 5.467 397 HG13 ILE 72 HG13 ILE 72 -16.649 11.136 4.006 398 HG21 ILE 72 HG21 ILE 72 -15.775 14.638 6.255 399 HG22 ILE 72 HG22 ILE 72 -15.434 13.070 6.985 400 HG23 ILE 72 HG23 ILE 72 -14.476 13.632 5.616 401 HD11 ILE 72 HD11 ILE 72 -14.787 12.475 3.008 402 HD12 ILE 72 HD12 ILE 72 -13.820 12.053 4.422 403 HD13 ILE 72 HD13 ILE 72 -14.404 10.786 3.343 404 H GLY 73 H GLY 73 -18.455 10.365 5.320 405 HA2 GLY 73 HA2 GLY 73 -20.856 10.212 4.256 406 HA3 GLY 73 HA3 GLY 73 -20.015 10.993 2.926 407 H ILE 74 H ILE 74 -17.539 9.633 3.186 408 HA ILE 74 HA ILE 74 -18.049 7.347 1.634 409 HB ILE 74 HB ILE 74 -15.532 7.935 3.195 410 HG12 ILE 74 HG12 ILE 74 -16.248 8.754 0.372 411 HG13 ILE 74 HG13 ILE 74 -16.258 9.835 1.762 412 HG21 ILE 74 HG21 ILE 74 -14.921 5.947 2.387 413 HG22 ILE 74 HG22 ILE 74 -16.312 5.869 1.305 414 HG23 ILE 74 HG23 ILE 74 -14.856 6.734 0.809 415 HD11 ILE 74 HD11 ILE 74 -13.896 8.477 0.502 416 HD12 ILE 74 HD12 ILE 74 -14.236 10.205 0.601 417 HD13 ILE 74 HD13 ILE 74 -13.826 9.302 2.059 418 H SER 75 H SER 75 -19.434 5.927 2.654 419 HA SER 75 HA SER 75 -18.443 4.675 5.128 420 HB2 SER 75 HB2 SER 75 -20.932 3.781 5.104 421 HB3 SER 75 HB3 SER 75 -20.561 5.397 5.703 422 HG SER 75 HG SER 75 -22.222 4.791 3.793 423 H ASP 76 H ASP 76 -18.105 4.192 2.028 424 HA ASP 76 HA ASP 76 -18.910 1.393 1.902 425 HB2 ASP 76 HB2 ASP 76 -18.225 3.479 -0.039 426 HB3 ASP 76 HB3 ASP 76 -17.524 1.908 -0.421 427 HA PRO 77 HA PRO 77 -14.988 -0.262 2.981 428 HB2 PRO 77 HB2 PRO 77 -15.017 -2.565 1.544 429 HB3 PRO 77 HB3 PRO 77 -16.008 -2.320 2.987 430 HG2 PRO 77 HG2 PRO 77 -16.774 -2.096 0.102 431 HG3 PRO 77 HG3 PRO 77 -17.664 -2.844 1.441 432 HD2 PRO 77 HD2 PRO 77 -18.251 -0.373 0.502 433 HD3 PRO 77 HD3 PRO 77 -18.462 -0.820 2.207 434 H GLN 78 H GLN 78 -15.727 -0.513 -0.500 435 HA GLN 78 HA GLN 78 -12.984 -0.586 -1.276 436 HB2 GLN 78 HB2 GLN 78 -13.843 -0.338 -3.564 437 HB3 GLN 78 HB3 GLN 78 -14.717 -1.580 -2.676 438 HG2 GLN 78 HG2 GLN 78 -16.178 0.720 -2.211 439 HG3 GLN 78 HG3 GLN 78 -15.684 0.857 -3.899 440 HE21 GLN 78 HE21 GLN 78 -18.336 0.516 -2.989 441 HE22 GLN 78 HE22 GLN 78 -18.911 -1.000 -3.585 442 H HIS 79 H HIS 79 -14.944 1.893 -0.181 443 HA HIS 79 HA HIS 79 -13.459 3.951 -1.660 444 HB2 HIS 79 HB2 HIS 79 -15.994 4.124 -0.020 445 HB3 HIS 79 HB3 HIS 79 -15.186 5.515 -0.739 446 HD1 HIS 79 HD1 HIS 79 -17.747 5.550 -1.847 447 HD2 HIS 79 HD2 HIS 79 -15.021 2.755 -3.270 448 HE1 HIS 79 HE1 HIS 79 -18.625 4.837 -4.093 449 H ARG 80 H ARG 80 -13.886 2.534 1.460 450 HA ARG 80 HA ARG 80 -12.613 4.719 2.873 451 HB2 ARG 80 HB2 ARG 80 -14.067 2.285 3.581 452 HB3 ARG 80 HB3 ARG 80 -12.660 2.562 4.600 453 HG2 ARG 80 HG2 ARG 80 -13.613 4.973 4.799 454 HG3 ARG 80 HG3 ARG 80 -15.120 4.216 4.281 455 HD2 ARG 80 HD2 ARG 80 -13.492 3.669 6.743 456 HD3 ARG 80 HD3 ARG 80 -15.181 4.163 6.628 457 HE ARG 80 HE ARG 80 -14.125 1.486 6.394 458 HH11 ARG 80 HH11 ARG 80 -16.802 3.612 5.734 459 HH12 ARG 80 HH12 ARG 80 -17.961 2.329 5.621 460 HH21 ARG 80 HH21 ARG 80 -15.642 -0.210 6.249 461 HH22 ARG 80 HH22 ARG 80 -17.301 0.156 5.915 462 H ARG 81 H ARG 81 -11.820 1.413 1.879 463 HA ARG 81 HA ARG 81 -9.231 1.405 3.060 464 HB2 ARG 81 HB2 ARG 81 -10.897 -0.461 1.774 465 HB3 ARG 81 HB3 ARG 81 -9.434 -0.377 0.802 466 HG2 ARG 81 HG2 ARG 81 -9.188 -0.648 3.757 467 HG3 ARG 81 HG3 ARG 81 -9.633 -2.059 2.795 468 HD2 ARG 81 HD2 ARG 81 -7.572 -1.161 1.335 469 HD3 ARG 81 HD3 ARG 81 -7.083 -0.565 2.921 470 HE ARG 81 HE ARG 81 -7.855 -3.269 3.119 471 HH11 ARG 81 HH11 ARG 81 -5.302 -1.264 1.859 472 HH12 ARG 81 HH12 ARG 81 -4.087 -2.490 2.011 473 HH21 ARG 81 HH21 ARG 81 -6.264 -4.890 3.323 474 HH22 ARG 81 HH22 ARG 81 -4.636 -4.552 2.843 475 H LYS 82 H LYS 82 -10.502 2.318 -0.076 476 HA LYS 82 HA LYS 82 -8.005 2.506 -1.413 477 HB2 LYS 82 HB2 LYS 82 -10.501 2.486 -2.308 478 HB3 LYS 82 HB3 LYS 82 -10.306 4.231 -2.209 479 HG2 LYS 82 HG2 LYS 82 -9.068 4.292 -4.053 480 HG3 LYS 82 HG3 LYS 82 -8.049 2.958 -3.507 481 HD2 LYS 82 HD2 LYS 82 -9.696 1.350 -4.276 482 HD3 LYS 82 HD3 LYS 82 -10.785 2.657 -4.745 483 HE2 LYS 82 HE2 LYS 82 -9.266 3.395 -6.443 484 HE3 LYS 82 HE3 LYS 82 -8.022 2.278 -5.886 485 HZ1 LYS 82 HZ1 LYS 82 -9.247 0.443 -6.657 486 HZ2 LYS 82 HZ2 LYS 82 -9.317 1.580 -7.908 487 HZ3 LYS 82 HZ3 LYS 82 -10.650 1.357 -6.892 488 H LEU 83 H LEU 83 -10.037 4.863 0.279 489 HA LEU 83 HA LEU 83 -8.361 7.093 -0.269 490 HB2 LEU 83 HB2 LEU 83 -10.857 6.926 0.550 491 HB3 LEU 83 HB3 LEU 83 -10.108 7.000 2.143 492 HG LEU 83 HG LEU 83 -8.933 9.129 1.089 493 HD11 LEU 83 HD11 LEU 83 -11.571 9.407 -0.252 494 HD12 LEU 83 HD12 LEU 83 -10.293 8.520 -1.083 495 HD13 LEU 83 HD13 LEU 83 -10.034 10.197 -0.602 496 HD21 LEU 83 HD21 LEU 83 -11.349 8.658 2.631 497 HD22 LEU 83 HD22 LEU 83 -11.384 10.197 1.772 498 HD23 LEU 83 HD23 LEU 83 -10.059 9.835 2.879 499 H LEU 84 H LEU 84 -8.383 4.614 2.166 500 HA LEU 84 HA LEU 84 -6.595 6.006 3.948 501 HB2 LEU 84 HB2 LEU 84 -8.155 3.572 3.971 502 HB3 LEU 84 HB3 LEU 84 -6.523 3.293 4.574 503 HG LEU 84 HG LEU 84 -6.819 4.807 6.363 504 HD11 LEU 84 HD11 LEU 84 -9.357 5.827 6.316 505 HD12 LEU 84 HD12 LEU 84 -8.872 5.935 4.625 506 HD13 LEU 84 HD13 LEU 84 -7.892 6.703 5.873 507 HD21 LEU 84 HD21 LEU 84 -8.842 3.944 7.490 508 HD22 LEU 84 HD22 LEU 84 -7.869 2.670 6.754 509 HD23 LEU 84 HD23 LEU 84 -9.350 3.216 5.966 510 H GLN 85 H GLN 85 -6.342 3.692 1.345 511 HA GLN 85 HA GLN 85 -3.626 2.964 1.875 512 HB2 GLN 85 HB2 GLN 85 -5.497 1.744 0.472 513 HB3 GLN 85 HB3 GLN 85 -4.838 2.707 -0.844 514 HG2 GLN 85 HG2 GLN 85 -3.113 0.970 0.890 515 HG3 GLN 85 HG3 GLN 85 -3.924 0.363 -0.552 516 HE21 GLN 85 HE21 GLN 85 -1.040 1.091 0.377 517 HE22 GLN 85 HE22 GLN 85 -0.392 1.891 -1.010 518 H ALA 86 H ALA 86 -5.207 5.108 -0.479 519 HA ALA 86 HA ALA 86 -2.780 6.004 -1.657 520 HB1 ALA 86 HB1 ALA 86 -5.271 6.104 -2.506 521 HB2 ALA 86 HB2 ALA 86 -5.229 7.692 -1.737 522 HB3 ALA 86 HB3 ALA 86 -4.082 7.303 -3.019 523 H ALA 87 H ALA 87 -4.442 6.821 1.227 524 HA ALA 87 HA ALA 87 -3.311 9.466 1.475 525 HB1 ALA 87 HB1 ALA 87 -4.314 9.388 3.756 526 HB2 ALA 87 HB2 ALA 87 -5.466 9.108 2.449 527 HB3 ALA 87 HB3 ALA 87 -4.866 7.750 3.402 528 H ARG 88 H ARG 88 -2.851 6.321 3.075 529 HA ARG 88 HA ARG 88 -0.684 7.220 4.693 530 HB2 ARG 88 HB2 ARG 88 -2.183 4.772 4.302 531 HB3 ARG 88 HB3 ARG 88 -0.461 4.444 4.443 532 HG2 ARG 88 HG2 ARG 88 -0.524 4.744 6.634 533 HG3 ARG 88 HG3 ARG 88 -1.269 6.333 6.444 534 HD2 ARG 88 HD2 ARG 88 -3.380 4.748 5.906 535 HD3 ARG 88 HD3 ARG 88 -2.495 3.714 7.027 536 HE ARG 88 HE ARG 88 -3.953 6.072 7.670 537 HH11 ARG 88 HH11 ARG 88 -1.164 4.187 8.557 538 HH12 ARG 88 HH12 ARG 88 -1.157 4.731 10.202 539 HH21 ARG 88 HH21 ARG 88 -3.955 6.797 9.833 540 HH22 ARG 88 HH22 ARG 88 -2.746 6.215 10.927 541 H SER 89 H SER 89 -0.956 6.219 1.435 542 HA SER 89 HA SER 89 1.696 5.225 1.089 543 HB2 SER 89 HB2 SER 89 1.212 5.401 -1.324 544 HB3 SER 89 HB3 SER 89 -0.108 4.615 -0.457 545 HG SER 89 HG SER 89 0.001 7.299 -1.365 546 H LEU 90 H LEU 90 0.508 8.295 1.647 547 HA LEU 90 HA LEU 90 2.388 9.749 0.011 548 HB2 LEU 90 HB2 LEU 90 0.262 10.437 1.967 549 HB3 LEU 90 HB3 LEU 90 1.533 11.625 1.683 550 HG LEU 90 HG LEU 90 0.663 10.841 -0.859 551 HD11 LEU 90 HD11 LEU 90 -1.333 10.009 0.680 552 HD12 LEU 90 HD12 LEU 90 -1.606 10.746 -0.898 553 HD13 LEU 90 HD13 LEU 90 -1.786 11.710 0.566 554 HD21 LEU 90 HD21 LEU 90 -0.464 13.210 -0.627 555 HD22 LEU 90 HD22 LEU 90 1.290 13.032 -0.665 556 HD23 LEU 90 HD23 LEU 90 0.459 13.250 0.875 557 HA PRO 91 HA PRO 91 5.793 10.027 2.764 558 HB2 PRO 91 HB2 PRO 91 6.585 12.606 2.462 559 HB3 PRO 91 HB3 PRO 91 6.818 11.377 1.213 560 HG2 PRO 91 HG2 PRO 91 4.689 13.471 1.436 561 HG3 PRO 91 HG3 PRO 91 5.605 12.954 0.008 562 HD2 PRO 91 HD2 PRO 91 3.081 12.110 0.504 563 HD3 PRO 91 HD3 PRO 91 4.281 11.097 -0.325 564 H LYS 92 H LYS 92 6.782 11.793 4.414 565 HA LYS 92 HA LYS 92 6.594 12.655 6.511 566 HB2 LYS 92 HB2 LYS 92 4.089 13.769 5.250 567 HB3 LYS 92 HB3 LYS 92 4.627 14.215 6.863 568 HG2 LYS 92 HG2 LYS 92 5.490 15.920 5.595 569 HG3 LYS 92 HG3 LYS 92 6.858 14.807 5.665 570 HD2 LYS 92 HD2 LYS 92 6.762 14.355 3.460 571 HD3 LYS 92 HD3 LYS 92 4.997 14.345 3.437 572 HE2 LYS 92 HE2 LYS 92 4.852 16.579 2.998 573 HE3 LYS 92 HE3 LYS 92 6.356 16.953 3.837 574 HZ1 LYS 92 HZ1 LYS 92 7.248 15.487 1.791 575 HZ2 LYS 92 HZ2 LYS 92 7.140 17.174 1.762 576 HZ3 LYS 92 HZ3 LYS 92 5.916 16.235 1.067 577 H VAL 93 H VAL 93 5.830 10.008 6.320 578 HA VAL 93 HA VAL 93 3.559 9.851 8.193 579 HB VAL 93 HB VAL 93 3.118 8.740 6.028 580 HG11 VAL 93 HG11 VAL 93 5.320 6.834 6.805 581 HG12 VAL 93 HG12 VAL 93 4.340 6.799 5.338 582 HG13 VAL 93 HG13 VAL 93 5.494 8.108 5.599 583 HG21 VAL 93 HG21 VAL 93 3.410 6.664 8.182 584 HG22 VAL 93 HG22 VAL 93 2.206 7.950 8.266 585 HG23 VAL 93 HG23 VAL 93 2.164 6.788 6.940 586 H LYS 94 H LYS 94 3.852 8.857 10.111 587 HA LYS 94 HA LYS 94 6.557 8.161 10.865 588 HB2 LYS 94 HB2 LYS 94 4.994 9.502 12.318 589 HB3 LYS 94 HB3 LYS 94 4.060 8.032 12.559 590 HG2 LYS 94 HG2 LYS 94 5.461 8.258 14.443 591 HG3 LYS 94 HG3 LYS 94 6.160 6.974 13.454 592 HD2 LYS 94 HD2 LYS 94 7.521 9.001 12.431 593 HD3 LYS 94 HD3 LYS 94 7.165 9.721 14.003 594 HE2 LYS 94 HE2 LYS 94 8.761 8.507 14.958 595 HE3 LYS 94 HE3 LYS 94 8.021 7.018 14.373 596 HZ1 LYS 94 HZ1 LYS 94 10.264 7.189 13.567 597 HZ2 LYS 94 HZ2 LYS 94 9.962 8.713 12.898 598 HZ3 LYS 94 HZ3 LYS 94 9.199 7.344 12.262 599 H ALA 95 H ALA 95 6.675 6.283 9.432 600 HA ALA 95 HA ALA 95 6.197 3.869 10.859 601 HB1 ALA 95 HB1 ALA 95 3.947 4.066 10.094 602 HB2 ALA 95 HB2 ALA 95 4.477 4.416 8.449 603 HB3 ALA 95 HB3 ALA 95 4.729 2.811 9.132 604 H LEU 96 H LEU 96 6.594 1.923 9.214 605 HA LEU 96 HA LEU 96 8.946 2.693 7.616 606 HB2 LEU 96 HB2 LEU 96 8.323 0.224 9.206 607 HB3 LEU 96 HB3 LEU 96 9.568 0.232 7.958 608 HG LEU 96 HG LEU 96 10.209 2.407 9.551 609 HD11 LEU 96 HD11 LEU 96 8.952 0.239 11.159 610 HD12 LEU 96 HD12 LEU 96 8.928 1.986 11.401 611 HD13 LEU 96 HD13 LEU 96 10.376 1.061 11.797 612 HD21 LEU 96 HD21 LEU 96 11.267 -0.417 9.643 613 HD22 LEU 96 HD22 LEU 96 12.100 1.016 10.247 614 HD23 LEU 96 HD23 LEU 96 11.770 0.848 8.522 615 H GLY 97 H GLY 97 9.450 0.920 5.901 616 HA2 GLY 97 HA2 GLY 97 7.717 -0.774 4.712 617 HA3 GLY 97 HA3 GLY 97 7.121 0.793 4.187 618 H TYR 98 H TYR 98 7.649 -0.247 2.059 619 HA TYR 98 HA TYR 98 10.452 0.333 1.362 620 HB2 TYR 98 HB2 TYR 98 8.746 -1.814 0.090 621 HB3 TYR 98 HB3 TYR 98 10.446 -1.487 -0.226 622 HD1 TYR 98 HD1 TYR 98 11.659 -1.265 2.365 623 HD2 TYR 98 HD2 TYR 98 8.556 -3.884 1.095 624 HE1 TYR 98 HE1 TYR 98 12.298 -2.864 4.122 625 HE2 TYR 98 HE2 TYR 98 9.185 -5.490 2.850 626 HH TYR 98 HH TYR 98 11.048 -6.064 4.235 627 H ASP 99 H ASP 99 10.754 1.708 -0.280 628 HA ASP 99 HA ASP 99 8.380 2.563 -1.795 629 HB2 ASP 99 HB2 ASP 99 10.954 4.103 -1.434 630 HB3 ASP 99 HB3 ASP 99 9.425 4.705 -2.071 631 H GLY 100 H GLY 100 9.314 0.323 -2.813 632 HA2 GLY 100 HA2 GLY 100 11.145 1.082 -4.998 633 HA3 GLY 100 HA3 GLY 100 10.894 -0.559 -4.421 634 H ASN 101 H ASN 101 10.356 1.326 -6.972 635 HA ASN 101 HA ASN 101 7.618 0.537 -7.530 636 HB2 ASN 101 HB2 ASN 101 7.736 1.942 -9.429 637 HB3 ASN 101 HB3 ASN 101 8.641 2.786 -8.177 638 HD21 ASN 101 HD21 ASN 101 10.840 3.026 -8.376 639 HD22 ASN 101 HD22 ASN 101 11.692 2.675 -9.838 Start of MODEL 3 1 H MET 21 H MET 21 16.827 13.774 2.156 2 HA MET 21 HA MET 21 18.763 14.126 0.235 3 HB2 MET 21 HB2 MET 21 20.087 12.941 2.189 4 HB3 MET 21 HB3 MET 21 19.363 11.490 1.507 5 HG2 MET 21 HG2 MET 21 20.364 11.989 -0.653 6 HG3 MET 21 HG3 MET 21 21.064 13.466 0.005 7 HE1 MET 21 HE1 MET 21 22.625 11.942 -1.532 8 HE2 MET 21 HE2 MET 21 24.053 12.253 -0.546 9 HE3 MET 21 HE3 MET 21 23.589 10.594 -0.928 10 H ILE 22 H ILE 22 17.779 13.502 -1.566 11 HA ILE 22 HA ILE 22 16.433 12.397 -3.031 12 HB ILE 22 HB ILE 22 16.644 10.022 -1.184 13 HG12 ILE 22 HG12 ILE 22 18.886 10.926 -1.674 14 HG13 ILE 22 HG13 ILE 22 18.631 9.365 -2.448 15 HG21 ILE 22 HG21 ILE 22 15.305 9.124 -2.722 16 HG22 ILE 22 HG22 ILE 22 15.518 10.491 -3.816 17 HG23 ILE 22 HG23 ILE 22 16.691 9.175 -3.811 18 HD11 ILE 22 HD11 ILE 22 19.787 10.956 -3.901 19 HD12 ILE 22 HD12 ILE 22 18.234 10.457 -4.570 20 HD13 ILE 22 HD13 ILE 22 18.398 12.039 -3.809 21 H SER 23 H SER 23 14.762 13.891 -2.219 22 HA SER 23 HA SER 23 12.856 12.974 -0.292 23 HB2 SER 23 HB2 SER 23 11.635 14.967 -1.843 24 HB3 SER 23 HB3 SER 23 12.458 15.181 -0.297 25 HG SER 23 HG SER 23 13.204 16.444 -2.226 26 H GLY 24 H GLY 24 11.158 11.684 -0.585 27 HA2 GLY 24 HA2 GLY 24 10.688 10.386 -3.056 28 HA3 GLY 24 HA3 GLY 24 9.668 10.281 -1.629 29 H LEU 25 H LEU 25 10.148 11.777 -4.703 30 HA LEU 25 HA LEU 25 7.656 13.307 -4.355 31 HB2 LEU 25 HB2 LEU 25 10.157 14.106 -5.311 32 HB3 LEU 25 HB3 LEU 25 9.137 13.968 -6.742 33 HG LEU 25 HG LEU 25 7.767 15.406 -4.651 34 HD11 LEU 25 HD11 LEU 25 9.801 16.170 -3.784 35 HD12 LEU 25 HD12 LEU 25 9.283 17.446 -4.885 36 HD13 LEU 25 HD13 LEU 25 10.534 16.307 -5.383 37 HD21 LEU 25 HD21 LEU 25 8.037 17.169 -6.618 38 HD22 LEU 25 HD22 LEU 25 6.907 15.818 -6.714 39 HD23 LEU 25 HD23 LEU 25 8.477 15.715 -7.514 40 H ARG 26 H ARG 26 6.367 13.550 -6.406 41 HA ARG 26 HA ARG 26 6.626 11.503 -8.403 42 HB2 ARG 26 HB2 ARG 26 5.622 10.221 -6.548 43 HB3 ARG 26 HB3 ARG 26 4.289 11.366 -6.490 44 HG2 ARG 26 HG2 ARG 26 3.309 9.775 -7.760 45 HG3 ARG 26 HG3 ARG 26 4.107 10.676 -9.051 46 HD2 ARG 26 HD2 ARG 26 5.969 9.121 -9.020 47 HD3 ARG 26 HD3 ARG 26 5.247 8.252 -7.667 48 HE ARG 26 HE ARG 26 3.493 8.367 -9.909 49 HH11 ARG 26 HH11 ARG 26 6.277 6.723 -8.618 50 HH12 ARG 26 HH12 ARG 26 5.989 5.263 -9.506 51 HH21 ARG 26 HH21 ARG 26 3.103 6.451 -11.083 52 HH22 ARG 26 HH22 ARG 26 4.184 5.109 -10.907 53 H THR 27 H THR 27 4.403 13.805 -6.863 54 HA THR 27 HA THR 27 3.750 14.833 -9.541 55 HB THR 27 HB THR 27 1.444 15.392 -8.375 56 HG1 THR 27 HG1 THR 27 0.980 14.175 -6.684 57 HG21 THR 27 HG21 THR 27 0.917 12.792 -9.059 58 HG22 THR 27 HG22 THR 27 2.416 13.112 -9.932 59 HG23 THR 27 HG23 THR 27 1.009 14.142 -10.189 60 H LEU 28 H LEU 28 2.975 17.063 -9.546 61 HA LEU 28 HA LEU 28 3.590 18.627 -7.159 62 HB2 LEU 28 HB2 LEU 28 5.265 18.477 -9.503 63 HB3 LEU 28 HB3 LEU 28 4.672 20.118 -9.259 64 HG LEU 28 HG LEU 28 6.048 18.555 -7.087 65 HD11 LEU 28 HD11 LEU 28 7.757 18.625 -8.629 66 HD12 LEU 28 HD12 LEU 28 7.991 20.147 -7.768 67 HD13 LEU 28 HD13 LEU 28 7.197 20.138 -9.342 68 HD21 LEU 28 HD21 LEU 28 5.937 20.438 -5.859 69 HD22 LEU 28 HD22 LEU 28 4.587 20.822 -6.926 70 HD23 LEU 28 HD23 LEU 28 6.187 21.490 -7.252 71 H GLU 29 H GLU 29 1.244 17.881 -8.944 72 HA GLU 29 HA GLU 29 0.016 20.485 -8.901 73 HB2 GLU 29 HB2 GLU 29 1.270 19.813 -11.253 74 HB3 GLU 29 HB3 GLU 29 -0.380 19.279 -11.544 75 HG2 GLU 29 HG2 GLU 29 -0.808 21.735 -10.482 76 HG3 GLU 29 HG3 GLU 29 0.719 21.986 -11.325 77 H GLN 30 H GLN 30 -0.437 18.027 -7.551 78 HA GLN 30 HA GLN 30 -3.025 17.198 -8.688 79 HB2 GLN 30 HB2 GLN 30 -1.609 15.295 -8.580 80 HB3 GLN 30 HB3 GLN 30 -1.048 15.713 -6.967 81 HG2 GLN 30 HG2 GLN 30 -3.915 15.368 -7.040 82 HG3 GLN 30 HG3 GLN 30 -3.067 13.937 -7.622 83 HE21 GLN 30 HE21 GLN 30 -2.127 12.617 -6.192 84 HE22 GLN 30 HE22 GLN 30 -2.022 12.912 -4.493 85 H SER 31 H SER 31 -4.812 17.686 -7.595 86 HA SER 31 HA SER 31 -4.524 18.598 -4.807 87 HB2 SER 31 HB2 SER 31 -5.625 19.931 -7.027 88 HB3 SER 31 HB3 SER 31 -6.998 19.446 -6.033 89 HG SER 31 HG SER 31 -5.946 21.531 -5.529 90 H VAL 32 H VAL 32 -7.130 18.648 -4.023 91 HA VAL 32 HA VAL 32 -7.630 16.027 -3.230 92 HB VAL 32 HB VAL 32 -9.599 18.311 -3.419 93 HG11 VAL 32 HG11 VAL 32 -9.729 15.753 -1.823 94 HG12 VAL 32 HG12 VAL 32 -10.877 17.089 -1.724 95 HG13 VAL 32 HG13 VAL 32 -10.730 16.161 -3.216 96 HG21 VAL 32 HG21 VAL 32 -8.603 17.600 -0.786 97 HG22 VAL 32 HG22 VAL 32 -7.312 18.111 -1.875 98 HG23 VAL 32 HG23 VAL 32 -8.686 19.176 -1.575 99 H GLY 33 H GLY 33 -9.403 17.940 -5.670 100 HA2 GLY 33 HA2 GLY 33 -11.132 15.940 -6.532 101 HA3 GLY 33 HA3 GLY 33 -10.591 17.289 -7.523 102 H GLU 34 H GLU 34 -8.089 16.916 -8.127 103 HA GLU 34 HA GLU 34 -8.048 14.919 -10.050 104 HB2 GLU 34 HB2 GLU 34 -6.510 16.689 -10.304 105 HB3 GLU 34 HB3 GLU 34 -5.845 16.455 -8.693 106 HG2 GLU 34 HG2 GLU 34 -4.333 15.713 -10.486 107 HG3 GLU 34 HG3 GLU 34 -4.768 14.422 -9.368 108 H TRP 35 H TRP 35 -6.643 14.896 -6.790 109 HA TRP 35 HA TRP 35 -5.384 12.428 -6.870 110 HB2 TRP 35 HB2 TRP 35 -5.030 13.887 -4.998 111 HB3 TRP 35 HB3 TRP 35 -6.740 13.853 -4.576 112 HD1 TRP 35 HD1 TRP 35 -4.620 10.721 -5.333 113 HE1 TRP 35 HE1 TRP 35 -4.588 9.243 -3.226 114 HE3 TRP 35 HE3 TRP 35 -7.076 13.843 -2.117 115 HZ2 TRP 35 HZ2 TRP 35 -5.487 9.383 -0.554 116 HZ3 TRP 35 HZ3 TRP 35 -7.451 13.096 0.198 117 HH2 TRP 35 HH2 TRP 35 -6.672 10.911 0.961 118 H LEU 36 H LEU 36 -8.685 13.129 -5.715 119 HA LEU 36 HA LEU 36 -9.392 10.421 -5.322 120 HB2 LEU 36 HB2 LEU 36 -11.169 12.803 -5.827 121 HB3 LEU 36 HB3 LEU 36 -11.695 11.244 -5.195 122 HG LEU 36 HG LEU 36 -9.637 12.851 -3.728 123 HD11 LEU 36 HD11 LEU 36 -11.391 13.950 -2.468 124 HD12 LEU 36 HD12 LEU 36 -12.622 13.191 -3.475 125 HD13 LEU 36 HD13 LEU 36 -11.513 14.370 -4.176 126 HD21 LEU 36 HD21 LEU 36 -11.143 10.433 -3.312 127 HD22 LEU 36 HD22 LEU 36 -11.453 11.591 -2.019 128 HD23 LEU 36 HD23 LEU 36 -9.799 11.094 -2.379 129 H GLU 37 H GLU 37 -9.444 12.516 -8.104 130 HA GLU 37 HA GLU 37 -11.228 11.011 -9.703 131 HB2 GLU 37 HB2 GLU 37 -9.571 13.336 -10.002 132 HB3 GLU 37 HB3 GLU 37 -9.340 12.277 -11.386 133 HG2 GLU 37 HG2 GLU 37 -12.125 12.447 -10.809 134 HG3 GLU 37 HG3 GLU 37 -11.450 14.073 -10.894 135 H SER 38 H SER 38 -7.845 10.696 -8.958 136 HA SER 38 HA SER 38 -7.178 8.963 -11.120 137 HB2 SER 38 HB2 SER 38 -5.821 10.176 -8.897 138 HB3 SER 38 HB3 SER 38 -5.430 8.457 -8.953 139 HG SER 38 HG SER 38 -5.254 10.221 -11.169 140 H ILE 39 H ILE 39 -8.719 8.529 -8.072 141 HA ILE 39 HA ILE 39 -8.399 5.614 -8.243 142 HB ILE 39 HB ILE 39 -9.193 5.515 -5.945 143 HG12 ILE 39 HG12 ILE 39 -9.278 8.537 -6.022 144 HG13 ILE 39 HG13 ILE 39 -10.703 7.507 -6.121 145 HG21 ILE 39 HG21 ILE 39 -7.197 7.661 -5.677 146 HG22 ILE 39 HG22 ILE 39 -7.176 6.006 -5.071 147 HG23 ILE 39 HG23 ILE 39 -6.752 6.333 -6.750 148 HD11 ILE 39 HD11 ILE 39 -10.269 8.442 -3.867 149 HD12 ILE 39 HD12 ILE 39 -10.332 6.680 -3.911 150 HD13 ILE 39 HD13 ILE 39 -8.777 7.505 -3.813 151 H GLY 40 H GLY 40 -10.637 8.150 -8.738 152 HA2 GLY 40 HA2 GLY 40 -12.683 7.855 -9.884 153 HA3 GLY 40 HA3 GLY 40 -12.713 6.181 -9.350 154 H LEU 41 H LEU 41 -11.996 8.643 -7.033 155 HA LEU 41 HA LEU 41 -14.688 8.297 -5.888 156 HB2 LEU 41 HB2 LEU 41 -12.482 7.461 -4.710 157 HB3 LEU 41 HB3 LEU 41 -12.370 9.152 -4.225 158 HG LEU 41 HG LEU 41 -14.921 8.584 -3.502 159 HD11 LEU 41 HD11 LEU 41 -13.692 6.058 -3.964 160 HD12 LEU 41 HD12 LEU 41 -15.309 6.408 -3.358 161 HD13 LEU 41 HD13 LEU 41 -13.961 6.249 -2.232 162 HD21 LEU 41 HD21 LEU 41 -14.170 8.985 -1.405 163 HD22 LEU 41 HD22 LEU 41 -12.700 9.430 -2.273 164 HD23 LEU 41 HD23 LEU 41 -12.841 7.832 -1.539 165 H GLN 42 H GLN 42 -13.232 10.396 -7.708 166 HA GLN 42 HA GLN 42 -13.061 12.834 -6.411 167 HB2 GLN 42 HB2 GLN 42 -12.571 12.170 -8.884 168 HB3 GLN 42 HB3 GLN 42 -14.239 12.652 -9.162 169 HG2 GLN 42 HG2 GLN 42 -13.016 14.700 -7.652 170 HG3 GLN 42 HG3 GLN 42 -11.914 14.275 -8.961 171 HE21 GLN 42 HE21 GLN 42 -13.466 16.703 -8.557 172 HE22 GLN 42 HE22 GLN 42 -14.462 16.878 -9.957 173 H GLN 43 H GLN 43 -15.861 10.983 -7.245 174 HA GLN 43 HA GLN 43 -17.796 13.026 -7.243 175 HB2 GLN 43 HB2 GLN 43 -19.423 11.237 -6.871 176 HB3 GLN 43 HB3 GLN 43 -18.251 10.779 -8.099 177 HG2 GLN 43 HG2 GLN 43 -17.169 9.861 -5.709 178 HG3 GLN 43 HG3 GLN 43 -18.892 9.505 -5.596 179 HE21 GLN 43 HE21 GLN 43 -16.616 7.699 -5.881 180 HE22 GLN 43 HE22 GLN 43 -16.913 6.780 -7.313 181 H TYR 44 H TYR 44 -16.276 11.211 -4.659 182 HA TYR 44 HA TYR 44 -18.050 12.342 -2.654 183 HB2 TYR 44 HB2 TYR 44 -16.310 10.060 -2.821 184 HB3 TYR 44 HB3 TYR 44 -15.888 11.020 -1.408 185 HD1 TYR 44 HD1 TYR 44 -18.430 12.038 -0.469 186 HD2 TYR 44 HD2 TYR 44 -17.498 8.215 -2.085 187 HE1 TYR 44 HE1 TYR 44 -20.322 11.063 0.764 188 HE2 TYR 44 HE2 TYR 44 -19.388 7.230 -0.859 189 HH TYR 44 HH TYR 44 -21.413 7.829 0.195 190 H GLU 45 H GLU 45 -15.752 13.694 -4.352 191 HA GLU 45 HA GLU 45 -13.822 14.661 -2.579 192 HB2 GLU 45 HB2 GLU 45 -13.492 14.959 -4.924 193 HB3 GLU 45 HB3 GLU 45 -14.999 15.850 -5.088 194 HG2 GLU 45 HG2 GLU 45 -14.085 17.700 -3.832 195 HG3 GLU 45 HG3 GLU 45 -12.594 16.802 -3.549 196 H SER 46 H SER 46 -16.979 16.009 -3.477 197 HA SER 46 HA SER 46 -16.906 18.410 -2.143 198 HB2 SER 46 HB2 SER 46 -18.797 17.253 -3.566 199 HB3 SER 46 HB3 SER 46 -19.403 16.764 -1.984 200 HG SER 46 HG SER 46 -18.698 19.444 -2.427 201 H LYS 47 H LYS 47 -17.668 15.215 -0.824 202 HA LYS 47 HA LYS 47 -18.327 16.094 1.780 203 HB2 LYS 47 HB2 LYS 47 -17.534 13.462 0.585 204 HB3 LYS 47 HB3 LYS 47 -17.644 13.627 2.332 205 HG2 LYS 47 HG2 LYS 47 -19.716 12.770 1.594 206 HG3 LYS 47 HG3 LYS 47 -19.988 14.465 2.003 207 HD2 LYS 47 HD2 LYS 47 -19.210 14.029 -0.784 208 HD3 LYS 47 HD3 LYS 47 -20.735 13.259 -0.340 209 HE2 LYS 47 HE2 LYS 47 -21.395 15.495 0.666 210 HE3 LYS 47 HE3 LYS 47 -19.992 16.170 -0.161 211 HZ1 LYS 47 HZ1 LYS 47 -22.248 14.753 -1.475 212 HZ2 LYS 47 HZ2 LYS 47 -20.911 15.428 -2.263 213 HZ3 LYS 47 HZ3 LYS 47 -22.016 16.429 -1.462 214 H LEU 48 H LEU 48 -15.296 15.080 0.283 215 HA LEU 48 HA LEU 48 -13.809 15.250 2.741 216 HB2 LEU 48 HB2 LEU 48 -13.360 13.824 0.596 217 HB3 LEU 48 HB3 LEU 48 -12.534 15.279 0.040 218 HG LEU 48 HG LEU 48 -11.778 14.217 2.707 219 HD11 LEU 48 HD11 LEU 48 -11.912 12.180 1.388 220 HD12 LEU 48 HD12 LEU 48 -10.229 12.609 1.703 221 HD13 LEU 48 HD13 LEU 48 -10.938 12.921 0.117 222 HD21 LEU 48 HD21 LEU 48 -10.485 16.023 2.234 223 HD22 LEU 48 HD22 LEU 48 -10.588 15.783 0.490 224 HD23 LEU 48 HD23 LEU 48 -9.500 14.784 1.455 225 H LEU 49 H LEU 49 -15.066 17.528 0.694 226 HA LEU 49 HA LEU 49 -12.886 19.442 1.158 227 HB2 LEU 49 HB2 LEU 49 -13.498 19.338 -1.133 228 HB3 LEU 49 HB3 LEU 49 -15.214 19.439 -0.746 229 HG LEU 49 HG LEU 49 -14.906 21.768 -0.034 230 HD11 LEU 49 HD11 LEU 49 -12.665 21.810 0.726 231 HD12 LEU 49 HD12 LEU 49 -12.737 22.872 -0.680 232 HD13 LEU 49 HD13 LEU 49 -12.052 21.255 -0.833 233 HD21 LEU 49 HD21 LEU 49 -14.231 22.652 -2.346 234 HD22 LEU 49 HD22 LEU 49 -15.625 21.576 -2.246 235 HD23 LEU 49 HD23 LEU 49 -14.069 20.954 -2.797 236 H LEU 50 H LEU 50 -16.318 18.889 1.701 237 HA LEU 50 HA LEU 50 -16.750 21.425 2.974 238 HB2 LEU 50 HB2 LEU 50 -18.348 19.340 1.972 239 HB3 LEU 50 HB3 LEU 50 -18.708 19.454 3.694 240 HG LEU 50 HG LEU 50 -19.015 21.614 1.613 241 HD11 LEU 50 HD11 LEU 50 -21.028 20.687 1.415 242 HD12 LEU 50 HD12 LEU 50 -21.361 21.302 3.034 243 HD13 LEU 50 HD13 LEU 50 -20.778 19.652 2.821 244 HD21 LEU 50 HD21 LEU 50 -19.982 22.908 3.564 245 HD22 LEU 50 HD22 LEU 50 -18.226 22.746 3.525 246 HD23 LEU 50 HD23 LEU 50 -19.181 21.737 4.613 247 H ASN 51 H ASN 51 -15.436 18.445 3.935 248 HA ASN 51 HA ASN 51 -16.048 18.865 6.760 249 HB2 ASN 51 HB2 ASN 51 -14.979 16.592 5.145 250 HB3 ASN 51 HB3 ASN 51 -14.559 16.672 6.854 251 HD21 ASN 51 HD21 ASN 51 -17.244 16.581 4.590 252 HD22 ASN 51 HD22 ASN 51 -18.384 15.884 5.684 253 H GLY 52 H GLY 52 -14.166 20.527 5.043 254 HA2 GLY 52 HA2 GLY 52 -12.106 21.531 5.234 255 HA3 GLY 52 HA3 GLY 52 -12.327 21.261 6.956 256 H PHE 53 H PHE 53 -11.955 18.815 4.432 257 HA PHE 53 HA PHE 53 -9.432 18.002 5.720 258 HB2 PHE 53 HB2 PHE 53 -11.754 16.522 5.559 259 HB3 PHE 53 HB3 PHE 53 -10.814 15.919 4.198 260 HD1 PHE 53 HD1 PHE 53 -8.075 16.118 5.260 261 HD2 PHE 53 HD2 PHE 53 -11.673 14.809 7.119 262 HE1 PHE 53 HE1 PHE 53 -6.766 14.706 6.791 263 HE2 PHE 53 HE2 PHE 53 -10.370 13.395 8.653 264 HZ PHE 53 HZ PHE 53 -7.913 13.342 8.491 265 H ASP 54 H ASP 54 -10.403 19.606 3.173 266 HA ASP 54 HA ASP 54 -9.406 18.261 0.920 267 HB2 ASP 54 HB2 ASP 54 -9.699 20.252 -0.231 268 HB3 ASP 54 HB3 ASP 54 -10.802 20.466 1.126 269 H ASP 55 H ASP 55 -7.800 19.755 3.550 270 HA ASP 55 HA ASP 55 -5.409 20.611 2.450 271 HB2 ASP 55 HB2 ASP 55 -5.761 19.191 5.100 272 HB3 ASP 55 HB3 ASP 55 -4.419 20.241 4.650 273 H VAL 56 H VAL 56 -4.405 19.440 0.913 274 HA VAL 56 HA VAL 56 -4.205 16.604 0.941 275 HB VAL 56 HB VAL 56 -2.598 18.623 -0.631 276 HG11 VAL 56 HG11 VAL 56 -2.850 15.634 -0.857 277 HG12 VAL 56 HG12 VAL 56 -2.270 16.651 -2.178 278 HG13 VAL 56 HG13 VAL 56 -1.384 16.595 -0.654 279 HG21 VAL 56 HG21 VAL 56 -4.515 17.135 -2.155 280 HG22 VAL 56 HG22 VAL 56 -5.316 17.925 -0.799 281 HG23 VAL 56 HG23 VAL 56 -4.374 18.879 -1.943 282 H HIS 57 H HIS 57 -2.385 19.119 2.413 283 HA HIS 57 HA HIS 57 -0.033 17.449 2.806 284 HB2 HIS 57 HB2 HIS 57 -0.671 20.287 3.622 285 HB3 HIS 57 HB3 HIS 57 0.832 19.469 4.036 286 HD1 HIS 57 HD1 HIS 57 -0.802 21.364 1.364 287 HD2 HIS 57 HD2 HIS 57 2.459 18.816 1.728 288 HE1 HIS 57 HE1 HIS 57 0.566 21.722 -0.715 289 H PHE 58 H PHE 58 -2.868 17.176 4.074 290 HA PHE 58 HA PHE 58 -1.915 16.889 6.848 291 HB2 PHE 58 HB2 PHE 58 -4.085 18.382 5.929 292 HB3 PHE 58 HB3 PHE 58 -4.807 16.914 6.578 293 HD1 PHE 58 HD1 PHE 58 -1.940 19.074 7.603 294 HD2 PHE 58 HD2 PHE 58 -5.628 17.248 8.688 295 HE1 PHE 58 HE1 PHE 58 -1.714 19.977 9.880 296 HE2 PHE 58 HE2 PHE 58 -5.409 18.150 10.967 297 HZ PHE 58 HZ PHE 58 -3.449 19.517 11.565 298 H LEU 59 H LEU 59 -3.053 15.302 4.088 299 HA LEU 59 HA LEU 59 -4.527 13.171 5.033 300 HB2 LEU 59 HB2 LEU 59 -2.404 12.911 2.920 301 HB3 LEU 59 HB3 LEU 59 -3.898 11.987 3.074 302 HG LEU 59 HG LEU 59 -3.617 14.872 2.243 303 HD11 LEU 59 HD11 LEU 59 -3.126 13.549 0.392 304 HD12 LEU 59 HD12 LEU 59 -4.846 13.889 0.218 305 HD13 LEU 59 HD13 LEU 59 -4.315 12.324 0.830 306 HD21 LEU 59 HD21 LEU 59 -6.128 14.622 1.862 307 HD22 LEU 59 HD22 LEU 59 -5.580 14.849 3.522 308 HD23 LEU 59 HD23 LEU 59 -6.035 13.241 2.955 309 H GLY 60 H GLY 60 -1.105 13.779 5.320 310 HA2 GLY 60 HA2 GLY 60 -0.624 11.086 6.363 311 HA3 GLY 60 HA3 GLY 60 0.602 12.291 6.001 312 H SER 61 H SER 61 -1.243 14.260 7.497 313 HA SER 61 HA SER 61 -0.006 13.794 10.087 314 HB2 SER 61 HB2 SER 61 -0.246 16.064 8.716 315 HB3 SER 61 HB3 SER 61 -1.771 16.148 9.597 316 HG SER 61 HG SER 61 -0.708 16.592 11.352 317 H ASN 62 H ASN 62 -3.269 14.796 9.044 318 HA ASN 62 HA ASN 62 -4.599 14.308 11.409 319 HB2 ASN 62 HB2 ASN 62 -5.404 15.295 9.095 320 HB3 ASN 62 HB3 ASN 62 -5.970 13.647 8.835 321 HD21 ASN 62 HD21 ASN 62 -6.504 16.615 10.430 322 HD22 ASN 62 HD22 ASN 62 -7.945 16.167 11.271 323 H VAL 63 H VAL 63 -5.946 12.573 12.121 324 HA VAL 63 HA VAL 63 -4.761 10.083 12.189 325 HB VAL 63 HB VAL 63 -6.416 10.653 13.827 326 HG11 VAL 63 HG11 VAL 63 -8.723 11.017 13.362 327 HG12 VAL 63 HG12 VAL 63 -7.801 12.039 12.258 328 HG13 VAL 63 HG13 VAL 63 -8.522 10.538 11.677 329 HG21 VAL 63 HG21 VAL 63 -7.427 8.379 12.122 330 HG22 VAL 63 HG22 VAL 63 -6.146 8.273 13.330 331 HG23 VAL 63 HG23 VAL 63 -7.799 8.641 13.826 332 H MET 64 H MET 64 -7.379 11.205 10.071 333 HA MET 64 HA MET 64 -8.341 10.287 8.216 334 HB2 MET 64 HB2 MET 64 -5.417 9.735 7.924 335 HB3 MET 64 HB3 MET 64 -6.532 9.078 6.735 336 HG2 MET 64 HG2 MET 64 -7.050 11.873 7.257 337 HG3 MET 64 HG3 MET 64 -5.391 11.598 6.736 338 HE1 MET 64 HE1 MET 64 -9.060 12.156 5.132 339 HE2 MET 64 HE2 MET 64 -9.213 10.516 4.505 340 HE3 MET 64 HE3 MET 64 -8.987 10.781 6.234 341 H GLU 65 H GLU 65 -9.121 8.781 10.195 342 HA GLU 65 HA GLU 65 -8.430 5.995 9.617 343 HB2 GLU 65 HB2 GLU 65 -9.170 7.431 11.984 344 HB3 GLU 65 HB3 GLU 65 -10.341 6.150 11.703 345 HG2 GLU 65 HG2 GLU 65 -8.710 4.475 11.829 346 HG3 GLU 65 HG3 GLU 65 -7.390 5.629 11.642 347 H GLU 66 H GLU 66 -10.455 4.486 9.956 348 HA GLU 66 HA GLU 66 -12.087 4.741 7.737 349 HB2 GLU 66 HB2 GLU 66 -12.150 3.092 10.205 350 HB3 GLU 66 HB3 GLU 66 -13.638 3.179 9.272 351 HG2 GLU 66 HG2 GLU 66 -12.828 1.538 8.027 352 HG3 GLU 66 HG3 GLU 66 -11.686 2.708 7.371 353 H GLN 67 H GLN 67 -13.027 5.309 11.132 354 HA GLN 67 HA GLN 67 -15.592 6.226 10.711 355 HB2 GLN 67 HB2 GLN 67 -13.597 6.448 12.840 356 HB3 GLN 67 HB3 GLN 67 -14.719 7.802 12.799 357 HG2 GLN 67 HG2 GLN 67 -15.716 6.285 14.244 358 HG3 GLN 67 HG3 GLN 67 -16.564 6.039 12.718 359 HE21 GLN 67 HE21 GLN 67 -16.165 4.163 11.523 360 HE22 GLN 67 HE22 GLN 67 -15.441 2.767 12.237 361 H ASP 68 H ASP 68 -12.552 8.001 10.489 362 HA ASP 68 HA ASP 68 -13.545 10.591 10.273 363 HB2 ASP 68 HB2 ASP 68 -11.054 9.398 10.102 364 HB3 ASP 68 HB3 ASP 68 -11.285 10.080 8.494 365 H LEU 69 H LEU 69 -12.912 8.218 7.702 366 HA LEU 69 HA LEU 69 -13.856 9.904 5.611 367 HB2 LEU 69 HB2 LEU 69 -13.806 6.921 5.418 368 HB3 LEU 69 HB3 LEU 69 -13.468 8.123 4.174 369 HG LEU 69 HG LEU 69 -11.679 7.241 6.429 370 HD11 LEU 69 HD11 LEU 69 -11.150 5.781 4.801 371 HD12 LEU 69 HD12 LEU 69 -10.227 7.140 4.160 372 HD13 LEU 69 HD13 LEU 69 -11.834 6.789 3.526 373 HD21 LEU 69 HD21 LEU 69 -11.510 9.653 4.651 374 HD22 LEU 69 HD22 LEU 69 -10.069 8.910 5.346 375 HD23 LEU 69 HD23 LEU 69 -11.327 9.553 6.403 376 H ARG 70 H ARG 70 -15.378 7.816 7.884 377 HA ARG 70 HA ARG 70 -17.786 7.413 6.365 378 HB2 ARG 70 HB2 ARG 70 -16.937 5.831 8.124 379 HB3 ARG 70 HB3 ARG 70 -17.370 7.032 9.332 380 HG2 ARG 70 HG2 ARG 70 -19.505 6.421 9.307 381 HG3 ARG 70 HG3 ARG 70 -19.573 6.463 7.543 382 HD2 ARG 70 HD2 ARG 70 -18.209 4.234 7.748 383 HD3 ARG 70 HD3 ARG 70 -18.902 4.201 9.369 384 HE ARG 70 HE ARG 70 -21.001 4.675 7.637 385 HH11 ARG 70 HH11 ARG 70 -18.640 2.172 8.165 386 HH12 ARG 70 HH12 ARG 70 -19.669 0.900 7.595 387 HH21 ARG 70 HH21 ARG 70 -22.365 3.009 6.884 388 HH22 ARG 70 HH22 ARG 70 -21.788 1.378 6.866 389 H ASP 71 H ASP 71 -16.704 9.581 8.922 390 HA ASP 71 HA ASP 71 -19.222 10.761 9.449 391 HB2 ASP 71 HB2 ASP 71 -17.056 10.856 10.851 392 HB3 ASP 71 HB3 ASP 71 -16.598 12.191 9.797 393 H ILE 72 H ILE 72 -16.673 11.453 7.138 394 HA ILE 72 HA ILE 72 -17.762 13.954 6.278 395 HB ILE 72 HB ILE 72 -16.172 13.791 4.413 396 HG12 ILE 72 HG12 ILE 72 -15.434 11.098 5.576 397 HG13 ILE 72 HG13 ILE 72 -16.376 11.324 4.106 398 HG21 ILE 72 HG21 ILE 72 -14.452 12.904 6.615 399 HG22 ILE 72 HG22 ILE 72 -14.466 14.426 5.724 400 HG23 ILE 72 HG23 ILE 72 -15.605 14.168 7.045 401 HD11 ILE 72 HD11 ILE 72 -14.535 12.266 2.967 402 HD12 ILE 72 HD12 ILE 72 -13.603 12.420 4.458 403 HD13 ILE 72 HD13 ILE 72 -13.939 10.823 3.788 404 H GLY 73 H GLY 73 -18.224 10.614 5.402 405 HA2 GLY 73 HA2 GLY 73 -20.617 10.596 4.306 406 HA3 GLY 73 HA3 GLY 73 -19.719 11.349 2.997 407 H ILE 74 H ILE 74 -17.316 9.858 3.287 408 HA ILE 74 HA ILE 74 -17.938 7.609 1.707 409 HB ILE 74 HB ILE 74 -15.386 8.067 3.251 410 HG12 ILE 74 HG12 ILE 74 -16.097 8.980 0.456 411 HG13 ILE 74 HG13 ILE 74 -16.027 10.029 1.867 412 HG21 ILE 74 HG21 ILE 74 -14.842 6.089 2.387 413 HG22 ILE 74 HG22 ILE 74 -16.276 6.061 1.361 414 HG23 ILE 74 HG23 ILE 74 -14.816 6.884 0.813 415 HD11 ILE 74 HD11 ILE 74 -13.762 8.583 0.530 416 HD12 ILE 74 HD12 ILE 74 -14.007 10.323 0.686 417 HD13 ILE 74 HD13 ILE 74 -13.620 9.356 2.110 418 H SER 75 H SER 75 -19.406 6.288 2.775 419 HA SER 75 HA SER 75 -18.436 4.973 5.222 420 HB2 SER 75 HB2 SER 75 -20.989 4.191 5.161 421 HB3 SER 75 HB3 SER 75 -20.504 5.736 5.860 422 HG SER 75 HG SER 75 -21.601 6.701 4.361 423 H ASP 76 H ASP 76 -18.133 4.475 2.128 424 HA ASP 76 HA ASP 76 -19.081 1.720 2.001 425 HB2 ASP 76 HB2 ASP 76 -18.291 3.770 0.058 426 HB3 ASP 76 HB3 ASP 76 -17.685 2.163 -0.328 427 HA PRO 77 HA PRO 77 -15.243 -0.130 3.062 428 HB2 PRO 77 HB2 PRO 77 -15.392 -2.427 1.623 429 HB3 PRO 77 HB3 PRO 77 -16.364 -2.136 3.069 430 HG2 PRO 77 HG2 PRO 77 -17.129 -1.868 0.187 431 HG3 PRO 77 HG3 PRO 77 -18.050 -2.573 1.529 432 HD2 PRO 77 HD2 PRO 77 -18.516 -0.073 0.595 433 HD3 PRO 77 HD3 PRO 77 -18.742 -0.514 2.300 434 H GLN 78 H GLN 78 -16.002 -0.355 -0.417 435 HA GLN 78 HA GLN 78 -13.268 -0.552 -1.199 436 HB2 GLN 78 HB2 GLN 78 -15.624 0.253 -2.909 437 HB3 GLN 78 HB3 GLN 78 -14.083 -0.388 -3.464 438 HG2 GLN 78 HG2 GLN 78 -14.896 -2.358 -1.788 439 HG3 GLN 78 HG3 GLN 78 -16.438 -1.776 -2.415 440 HE21 GLN 78 HE21 GLN 78 -13.649 -3.611 -3.037 441 HE22 GLN 78 HE22 GLN 78 -13.997 -4.026 -4.677 442 H HIS 79 H HIS 79 -15.108 2.014 -0.103 443 HA HIS 79 HA HIS 79 -13.539 3.999 -1.596 444 HB2 HIS 79 HB2 HIS 79 -16.047 4.313 0.066 445 HB3 HIS 79 HB3 HIS 79 -15.189 5.643 -0.706 446 HD1 HIS 79 HD1 HIS 79 -17.796 5.725 -1.746 447 HD2 HIS 79 HD2 HIS 79 -15.166 2.848 -3.182 448 HE1 HIS 79 HE1 HIS 79 -18.739 4.999 -3.961 449 H ARG 80 H ARG 80 -13.991 2.592 1.518 450 HA ARG 80 HA ARG 80 -12.630 4.730 2.926 451 HB2 ARG 80 HB2 ARG 80 -14.179 2.359 3.645 452 HB3 ARG 80 HB3 ARG 80 -12.759 2.582 4.659 453 HG2 ARG 80 HG2 ARG 80 -13.616 5.031 4.852 454 HG3 ARG 80 HG3 ARG 80 -15.154 4.331 4.344 455 HD2 ARG 80 HD2 ARG 80 -13.536 3.730 6.801 456 HD3 ARG 80 HD3 ARG 80 -15.205 4.288 6.692 457 HE ARG 80 HE ARG 80 -14.257 1.573 6.467 458 HH11 ARG 80 HH11 ARG 80 -16.849 3.797 5.796 459 HH12 ARG 80 HH12 ARG 80 -18.057 2.560 5.690 460 HH21 ARG 80 HH21 ARG 80 -15.838 -0.065 6.331 461 HH22 ARG 80 HH22 ARG 80 -17.482 0.363 5.995 462 H ARG 81 H ARG 81 -11.984 1.388 1.946 463 HA ARG 81 HA ARG 81 -9.389 1.277 3.108 464 HB2 ARG 81 HB2 ARG 81 -11.126 -0.477 1.615 465 HB3 ARG 81 HB3 ARG 81 -9.487 -0.558 0.982 466 HG2 ARG 81 HG2 ARG 81 -9.993 -0.774 3.921 467 HG3 ARG 81 HG3 ARG 81 -10.188 -2.172 2.862 468 HD2 ARG 81 HD2 ARG 81 -7.801 -1.389 2.014 469 HD3 ARG 81 HD3 ARG 81 -7.731 -0.688 3.631 470 HE ARG 81 HE ARG 81 -7.538 -3.452 2.949 471 HH11 ARG 81 HH11 ARG 81 -8.595 -1.233 5.415 472 HH12 ARG 81 HH12 ARG 81 -8.412 -2.375 6.705 473 HH21 ARG 81 HH21 ARG 81 -7.294 -4.965 4.639 474 HH22 ARG 81 HH22 ARG 81 -7.672 -4.498 6.262 475 H LYS 82 H LYS 82 -10.646 2.280 0.004 476 HA LYS 82 HA LYS 82 -8.144 2.342 -1.356 477 HB2 LYS 82 HB2 LYS 82 -10.649 2.411 -2.238 478 HB3 LYS 82 HB3 LYS 82 -10.377 4.147 -2.163 479 HG2 LYS 82 HG2 LYS 82 -8.624 4.042 -3.735 480 HG3 LYS 82 HG3 LYS 82 -8.515 2.285 -3.608 481 HD2 LYS 82 HD2 LYS 82 -10.897 2.224 -4.493 482 HD3 LYS 82 HD3 LYS 82 -10.684 3.932 -4.888 483 HE2 LYS 82 HE2 LYS 82 -8.810 3.398 -6.325 484 HE3 LYS 82 HE3 LYS 82 -8.907 1.698 -5.866 485 HZ1 LYS 82 HZ1 LYS 82 -10.955 3.236 -7.369 486 HZ2 LYS 82 HZ2 LYS 82 -11.139 1.635 -6.856 487 HZ3 LYS 82 HZ3 LYS 82 -9.948 2.028 -7.991 488 H LEU 83 H LEU 83 -10.097 4.792 0.304 489 HA LEU 83 HA LEU 83 -8.350 6.957 -0.259 490 HB2 LEU 83 HB2 LEU 83 -10.862 6.682 0.813 491 HB3 LEU 83 HB3 LEU 83 -9.902 7.176 2.205 492 HG LEU 83 HG LEU 83 -10.993 9.072 1.081 493 HD11 LEU 83 HD11 LEU 83 -8.872 9.362 2.301 494 HD12 LEU 83 HD12 LEU 83 -9.052 10.506 0.971 495 HD13 LEU 83 HD13 LEU 83 -7.992 9.108 0.794 496 HD21 LEU 83 HD21 LEU 83 -9.237 9.224 -1.198 497 HD22 LEU 83 HD22 LEU 83 -10.997 9.330 -1.126 498 HD23 LEU 83 HD23 LEU 83 -10.212 7.754 -1.253 499 H LEU 84 H LEU 84 -8.436 4.500 2.201 500 HA LEU 84 HA LEU 84 -6.606 5.836 3.971 501 HB2 LEU 84 HB2 LEU 84 -8.201 3.428 3.977 502 HB3 LEU 84 HB3 LEU 84 -6.568 3.109 4.557 503 HG LEU 84 HG LEU 84 -6.818 4.603 6.371 504 HD11 LEU 84 HD11 LEU 84 -9.354 5.655 6.350 505 HD12 LEU 84 HD12 LEU 84 -8.849 5.804 4.666 506 HD13 LEU 84 HD13 LEU 84 -7.870 6.521 5.946 507 HD21 LEU 84 HD21 LEU 84 -8.843 3.757 7.509 508 HD22 LEU 84 HD22 LEU 84 -7.898 2.479 6.744 509 HD23 LEU 84 HD23 LEU 84 -9.379 3.059 5.979 510 H GLN 85 H GLN 85 -6.375 3.702 1.252 511 HA GLN 85 HA GLN 85 -3.668 2.881 1.786 512 HB2 GLN 85 HB2 GLN 85 -5.518 1.662 0.402 513 HB3 GLN 85 HB3 GLN 85 -4.962 2.692 -0.911 514 HG2 GLN 85 HG2 GLN 85 -3.371 1.221 -1.332 515 HG3 GLN 85 HG3 GLN 85 -2.655 1.592 0.235 516 HE21 GLN 85 HE21 GLN 85 -4.883 -0.522 -1.457 517 HE22 GLN 85 HE22 GLN 85 -4.801 -1.825 -0.327 518 H ALA 86 H ALA 86 -5.265 5.166 -0.402 519 HA ALA 86 HA ALA 86 -2.821 6.048 -1.602 520 HB1 ALA 86 HB1 ALA 86 -5.253 7.752 -1.681 521 HB2 ALA 86 HB2 ALA 86 -4.116 7.338 -2.966 522 HB3 ALA 86 HB3 ALA 86 -5.325 6.164 -2.447 523 H ALA 87 H ALA 87 -4.469 6.771 1.302 524 HA ALA 87 HA ALA 87 -3.358 9.426 1.603 525 HB1 ALA 87 HB1 ALA 87 -4.950 7.673 3.463 526 HB2 ALA 87 HB2 ALA 87 -4.382 9.290 3.881 527 HB3 ALA 87 HB3 ALA 87 -5.518 9.071 2.550 528 H ARG 88 H ARG 88 -2.815 6.194 2.943 529 HA ARG 88 HA ARG 88 -0.718 7.054 4.699 530 HB2 ARG 88 HB2 ARG 88 -2.178 4.617 4.168 531 HB3 ARG 88 HB3 ARG 88 -0.453 4.292 4.271 532 HG2 ARG 88 HG2 ARG 88 -0.687 4.246 6.472 533 HG3 ARG 88 HG3 ARG 88 -0.978 5.985 6.411 534 HD2 ARG 88 HD2 ARG 88 -3.273 5.738 6.516 535 HD3 ARG 88 HD3 ARG 88 -3.226 4.089 5.894 536 HE ARG 88 HE ARG 88 -3.124 4.876 8.617 537 HH11 ARG 88 HH11 ARG 88 -1.863 2.531 6.374 538 HH12 ARG 88 HH12 ARG 88 -1.612 1.316 7.584 539 HH21 ARG 88 HH21 ARG 88 -2.799 3.285 10.219 540 HH22 ARG 88 HH22 ARG 88 -2.146 1.746 9.769 541 H SER 89 H SER 89 -0.929 6.091 1.396 542 HA SER 89 HA SER 89 1.785 5.270 1.074 543 HB2 SER 89 HB2 SER 89 0.101 4.507 -0.500 544 HB3 SER 89 HB3 SER 89 -0.279 6.168 -0.953 545 HG SER 89 HG SER 89 1.174 5.837 -2.438 546 H LEU 90 H LEU 90 0.395 8.257 1.615 547 HA LEU 90 HA LEU 90 2.147 9.841 -0.026 548 HB2 LEU 90 HB2 LEU 90 0.012 10.348 1.961 549 HB3 LEU 90 HB3 LEU 90 1.219 11.614 1.752 550 HG LEU 90 HG LEU 90 0.304 10.795 -0.822 551 HD11 LEU 90 HD11 LEU 90 -1.673 10.133 0.792 552 HD12 LEU 90 HD12 LEU 90 -1.973 10.914 -0.760 553 HD13 LEU 90 HD13 LEU 90 -1.996 11.865 0.725 554 HD21 LEU 90 HD21 LEU 90 -0.679 13.271 -0.490 555 HD22 LEU 90 HD22 LEU 90 1.020 12.937 -0.826 556 HD23 LEU 90 HD23 LEU 90 0.489 13.234 0.831 557 HA PRO 91 HA PRO 91 5.611 10.296 2.627 558 HB2 PRO 91 HB2 PRO 91 6.230 12.924 2.343 559 HB3 PRO 91 HB3 PRO 91 6.501 11.729 1.068 560 HG2 PRO 91 HG2 PRO 91 4.254 13.681 1.388 561 HG3 PRO 91 HG3 PRO 91 5.156 13.243 -0.075 562 HD2 PRO 91 HD2 PRO 91 2.706 12.234 0.483 563 HD3 PRO 91 HD3 PRO 91 3.941 11.312 -0.397 564 H LYS 92 H LYS 92 6.211 10.865 4.695 565 HA LYS 92 HA LYS 92 4.203 11.560 6.525 566 HB2 LYS 92 HB2 LYS 92 7.179 11.805 6.977 567 HB3 LYS 92 HB3 LYS 92 5.934 11.574 8.198 568 HG2 LYS 92 HG2 LYS 92 6.774 9.593 6.092 569 HG3 LYS 92 HG3 LYS 92 7.111 9.508 7.823 570 HD2 LYS 92 HD2 LYS 92 4.336 9.816 7.603 571 HD3 LYS 92 HD3 LYS 92 4.783 8.639 6.367 572 HE2 LYS 92 HE2 LYS 92 5.850 7.242 7.992 573 HE3 LYS 92 HE3 LYS 92 5.664 8.470 9.244 574 HZ1 LYS 92 HZ1 LYS 92 3.723 6.579 8.198 575 HZ2 LYS 92 HZ2 LYS 92 3.134 8.131 8.517 576 HZ3 LYS 92 HZ3 LYS 92 3.868 7.235 9.750 577 H VAL 93 H VAL 93 3.885 13.427 7.782 578 HA VAL 93 HA VAL 93 4.114 15.872 6.385 579 HB VAL 93 HB VAL 93 2.321 15.415 8.019 580 HG11 VAL 93 HG11 VAL 93 3.803 16.139 10.393 581 HG12 VAL 93 HG12 VAL 93 2.712 14.780 10.117 582 HG13 VAL 93 HG13 VAL 93 4.416 14.648 9.679 583 HG21 VAL 93 HG21 VAL 93 3.948 17.808 8.855 584 HG22 VAL 93 HG22 VAL 93 3.014 17.736 7.361 585 HG23 VAL 93 HG23 VAL 93 2.197 17.620 8.919 586 H LYS 94 H LYS 94 5.407 17.661 6.727 587 HA LYS 94 HA LYS 94 7.724 17.281 8.505 588 HB2 LYS 94 HB2 LYS 94 9.049 18.563 6.765 589 HB3 LYS 94 HB3 LYS 94 8.592 16.921 6.328 590 HG2 LYS 94 HG2 LYS 94 7.242 17.596 4.655 591 HG3 LYS 94 HG3 LYS 94 6.714 19.042 5.516 592 HD2 LYS 94 HD2 LYS 94 9.143 19.863 5.101 593 HD3 LYS 94 HD3 LYS 94 9.164 18.616 3.852 594 HE2 LYS 94 HE2 LYS 94 8.520 20.734 2.882 595 HE3 LYS 94 HE3 LYS 94 7.150 19.624 2.850 596 HZ1 LYS 94 HZ1 LYS 94 6.615 21.932 3.571 597 HZ2 LYS 94 HZ2 LYS 94 7.545 21.672 4.960 598 HZ3 LYS 94 HZ3 LYS 94 6.163 20.737 4.680 599 H ALA 95 H ALA 95 5.642 18.580 9.525 600 HA ALA 95 HA ALA 95 6.321 21.437 9.262 601 HB1 ALA 95 HB1 ALA 95 3.926 20.477 8.699 602 HB2 ALA 95 HB2 ALA 95 3.724 20.608 10.447 603 HB3 ALA 95 HB3 ALA 95 4.132 22.037 9.497 604 H LEU 96 H LEU 96 7.976 20.098 10.861 605 HA LEU 96 HA LEU 96 7.474 21.266 13.431 606 HB2 LEU 96 HB2 LEU 96 6.364 18.854 13.221 607 HB3 LEU 96 HB3 LEU 96 8.007 18.353 13.617 608 HG LEU 96 HG LEU 96 7.803 19.902 15.641 609 HD11 LEU 96 HD11 LEU 96 5.226 19.877 16.287 610 HD12 LEU 96 HD12 LEU 96 5.055 20.003 14.536 611 HD13 LEU 96 HD13 LEU 96 5.970 21.222 15.423 612 HD21 LEU 96 HD21 LEU 96 7.837 17.546 15.950 613 HD22 LEU 96 HD22 LEU 96 6.186 17.378 15.351 614 HD23 LEU 96 HD23 LEU 96 6.488 18.169 16.899 615 H GLY 97 H GLY 97 9.340 21.547 14.621 616 HA2 GLY 97 HA2 GLY 97 11.596 21.354 15.162 617 HA3 GLY 97 HA3 GLY 97 11.775 20.162 13.883 618 H TYR 98 H TYR 98 12.483 20.787 11.893 619 HA TYR 98 HA TYR 98 12.649 23.607 11.226 620 HB2 TYR 98 HB2 TYR 98 14.950 22.029 12.146 621 HB3 TYR 98 HB3 TYR 98 15.216 22.862 10.617 622 HD1 TYR 98 HD1 TYR 98 14.900 25.359 10.524 623 HD2 TYR 98 HD2 TYR 98 14.968 23.205 14.194 624 HE1 TYR 98 HE1 TYR 98 15.347 27.452 11.738 625 HE2 TYR 98 HE2 TYR 98 15.413 25.292 15.417 626 HH TYR 98 HH TYR 98 16.439 28.087 13.970 627 H ASP 99 H ASP 99 13.540 20.294 10.335 628 HA ASP 99 HA ASP 99 12.373 20.645 7.722 629 HB2 ASP 99 HB2 ASP 99 15.315 20.614 8.132 630 HB3 ASP 99 HB3 ASP 99 14.687 19.654 6.795 631 H GLY 100 H GLY 100 14.839 18.472 9.116 632 HA2 GLY 100 HA2 GLY 100 14.706 16.236 9.675 633 HA3 GLY 100 HA3 GLY 100 12.962 16.336 9.481 634 H ASN 101 H ASN 101 12.349 14.801 8.109 635 HA ASN 101 HA ASN 101 13.330 14.819 5.409 636 HB2 ASN 101 HB2 ASN 101 15.047 13.429 6.485 637 HB3 ASN 101 HB3 ASN 101 13.795 12.364 7.117 638 HD21 ASN 101 HD21 ASN 101 13.268 10.657 5.952 639 HD22 ASN 101 HD22 ASN 101 13.655 10.413 4.286 Start of MODEL 4 1 H MET 21 H MET 21 2.710 -7.584 -6.776 2 HA MET 21 HA MET 21 5.349 -8.499 -5.858 3 HB2 MET 21 HB2 MET 21 4.183 -8.003 -8.495 4 HB3 MET 21 HB3 MET 21 5.760 -7.253 -8.284 5 HG2 MET 21 HG2 MET 21 6.718 -9.401 -7.673 6 HG3 MET 21 HG3 MET 21 5.137 -10.162 -7.831 7 HE1 MET 21 HE1 MET 21 4.998 -11.696 -9.393 8 HE2 MET 21 HE2 MET 21 5.504 -11.669 -11.081 9 HE3 MET 21 HE3 MET 21 6.692 -11.955 -9.809 10 H ILE 22 H ILE 22 4.060 -5.609 -7.507 11 HA ILE 22 HA ILE 22 5.383 -3.936 -5.496 12 HB ILE 22 HB ILE 22 6.295 -2.445 -7.183 13 HG12 ILE 22 HG12 ILE 22 5.290 -4.469 -9.196 14 HG13 ILE 22 HG13 ILE 22 4.623 -2.860 -8.944 15 HG21 ILE 22 HG21 ILE 22 7.320 -5.048 -8.142 16 HG22 ILE 22 HG22 ILE 22 8.187 -3.648 -7.513 17 HG23 ILE 22 HG23 ILE 22 7.380 -4.757 -6.404 18 HD11 ILE 22 HD11 ILE 22 5.954 -2.444 -10.730 19 HD12 ILE 22 HD12 ILE 22 7.120 -2.152 -9.440 20 HD13 ILE 22 HD13 ILE 22 7.119 -3.693 -10.297 21 H SER 23 H SER 23 4.506 -1.838 -5.270 22 HA SER 23 HA SER 23 2.138 -1.154 -6.816 23 HB2 SER 23 HB2 SER 23 1.371 -0.699 -4.133 24 HB3 SER 23 HB3 SER 23 0.664 -1.841 -5.275 25 HG SER 23 HG SER 23 1.330 -3.035 -3.551 26 H GLY 24 H GLY 24 1.310 1.035 -6.231 27 HA2 GLY 24 HA2 GLY 24 2.097 2.996 -4.718 28 HA3 GLY 24 HA3 GLY 24 3.597 2.771 -5.607 29 H LEU 25 H LEU 25 2.882 5.163 -5.939 30 HA LEU 25 HA LEU 25 2.159 5.431 -8.662 31 HB2 LEU 25 HB2 LEU 25 0.083 6.676 -8.409 32 HB3 LEU 25 HB3 LEU 25 -0.080 5.026 -7.813 33 HG LEU 25 HG LEU 25 0.574 7.103 -5.808 34 HD11 LEU 25 HD11 LEU 25 -1.553 8.053 -5.693 35 HD12 LEU 25 HD12 LEU 25 -2.255 6.842 -6.766 36 HD13 LEU 25 HD13 LEU 25 -1.168 8.071 -7.415 37 HD21 LEU 25 HD21 LEU 25 -1.307 4.747 -5.896 38 HD22 LEU 25 HD22 LEU 25 -1.025 5.770 -4.488 39 HD23 LEU 25 HD23 LEU 25 0.289 4.793 -5.145 40 H ARG 26 H ARG 26 1.570 7.941 -9.034 41 HA ARG 26 HA ARG 26 3.884 9.355 -8.188 42 HB2 ARG 26 HB2 ARG 26 1.423 10.548 -9.461 43 HB3 ARG 26 HB3 ARG 26 3.065 11.174 -9.508 44 HG2 ARG 26 HG2 ARG 26 2.176 8.591 -10.774 45 HG3 ARG 26 HG3 ARG 26 2.359 10.128 -11.623 46 HD2 ARG 26 HD2 ARG 26 4.728 10.173 -11.050 47 HD3 ARG 26 HD3 ARG 26 4.552 8.661 -10.161 48 HE ARG 26 HE ARG 26 3.679 8.038 -12.649 49 HH11 ARG 26 HH11 ARG 26 6.583 9.506 -11.412 50 HH12 ARG 26 HH12 ARG 26 7.588 8.899 -12.685 51 HH21 ARG 26 HH21 ARG 26 4.993 7.232 -14.331 52 HH22 ARG 26 HH22 ARG 26 6.683 7.606 -14.346 53 H THR 27 H THR 27 4.134 10.975 -6.707 54 HA THR 27 HA THR 27 1.828 11.510 -4.948 55 HB THR 27 HB THR 27 3.415 11.786 -3.084 56 HG1 THR 27 HG1 THR 27 5.464 11.968 -3.545 57 HG21 THR 27 HG21 THR 27 2.375 9.622 -3.350 58 HG22 THR 27 HG22 THR 27 4.050 9.397 -2.847 59 HG23 THR 27 HG23 THR 27 3.593 9.142 -4.530 60 H LEU 28 H LEU 28 1.802 13.596 -3.897 61 HA LEU 28 HA LEU 28 1.899 15.867 -3.892 62 HB2 LEU 28 HB2 LEU 28 4.591 15.567 -5.203 63 HB3 LEU 28 HB3 LEU 28 4.005 16.926 -4.245 64 HG LEU 28 HG LEU 28 4.622 14.166 -3.192 65 HD11 LEU 28 HD11 LEU 28 6.566 15.612 -3.931 66 HD12 LEU 28 HD12 LEU 28 6.584 15.069 -2.253 67 HD13 LEU 28 HD13 LEU 28 6.104 16.721 -2.640 68 HD21 LEU 28 HD21 LEU 28 4.512 15.744 -1.028 69 HD22 LEU 28 HD22 LEU 28 3.125 14.840 -1.637 70 HD23 LEU 28 HD23 LEU 28 3.310 16.548 -2.038 71 H GLU 29 H GLU 29 2.302 17.835 -5.403 72 HA GLU 29 HA GLU 29 1.678 18.942 -7.291 73 HB2 GLU 29 HB2 GLU 29 3.573 17.102 -8.064 74 HB3 GLU 29 HB3 GLU 29 2.245 16.763 -9.167 75 HG2 GLU 29 HG2 GLU 29 2.475 19.541 -9.130 76 HG3 GLU 29 HG3 GLU 29 4.128 18.933 -9.178 77 H GLN 30 H GLN 30 -0.317 17.441 -5.930 78 HA GLN 30 HA GLN 30 -2.265 17.245 -8.068 79 HB2 GLN 30 HB2 GLN 30 -2.994 15.034 -7.608 80 HB3 GLN 30 HB3 GLN 30 -1.247 14.948 -7.788 81 HG2 GLN 30 HG2 GLN 30 -1.152 15.131 -5.245 82 HG3 GLN 30 HG3 GLN 30 -2.878 14.776 -5.282 83 HE21 GLN 30 HE21 GLN 30 -2.601 12.832 -4.198 84 HE22 GLN 30 HE22 GLN 30 -1.910 11.443 -4.957 85 H SER 31 H SER 31 -4.415 17.447 -7.360 86 HA SER 31 HA SER 31 -4.654 18.447 -4.603 87 HB2 SER 31 HB2 SER 31 -5.153 20.026 -6.509 88 HB3 SER 31 HB3 SER 31 -6.529 18.999 -6.911 89 HG SER 31 HG SER 31 -7.588 20.000 -5.414 90 H VAL 32 H VAL 32 -7.135 18.315 -3.922 91 HA VAL 32 HA VAL 32 -7.672 15.650 -3.329 92 HB VAL 32 HB VAL 32 -9.613 17.964 -3.394 93 HG11 VAL 32 HG11 VAL 32 -9.812 15.231 -2.147 94 HG12 VAL 32 HG12 VAL 32 -10.864 16.581 -1.718 95 HG13 VAL 32 HG13 VAL 32 -10.873 15.942 -3.363 96 HG21 VAL 32 HG21 VAL 32 -8.628 18.710 -1.549 97 HG22 VAL 32 HG22 VAL 32 -8.804 17.134 -0.776 98 HG23 VAL 32 HG23 VAL 32 -7.379 17.482 -1.753 99 H GLY 33 H GLY 33 -9.311 17.747 -5.708 100 HA2 GLY 33 HA2 GLY 33 -11.088 15.880 -6.735 101 HA3 GLY 33 HA3 GLY 33 -10.430 17.232 -7.645 102 H GLU 34 H GLU 34 -8.028 16.808 -8.316 103 HA GLU 34 HA GLU 34 -8.001 14.824 -10.234 104 HB2 GLU 34 HB2 GLU 34 -6.432 16.622 -10.377 105 HB3 GLU 34 HB3 GLU 34 -5.717 16.203 -8.826 106 HG2 GLU 34 HG2 GLU 34 -4.275 15.545 -10.661 107 HG3 GLU 34 HG3 GLU 34 -4.846 14.136 -9.770 108 H TRP 35 H TRP 35 -6.520 14.733 -7.001 109 HA TRP 35 HA TRP 35 -5.354 12.237 -7.096 110 HB2 TRP 35 HB2 TRP 35 -4.976 13.655 -5.200 111 HB3 TRP 35 HB3 TRP 35 -6.690 13.662 -4.790 112 HD1 TRP 35 HD1 TRP 35 -4.654 10.481 -5.577 113 HE1 TRP 35 HE1 TRP 35 -4.674 8.977 -3.488 114 HE3 TRP 35 HE3 TRP 35 -7.036 13.632 -2.331 115 HZ2 TRP 35 HZ2 TRP 35 -5.581 9.110 -0.818 116 HZ3 TRP 35 HZ3 TRP 35 -7.442 12.867 -0.029 117 HH2 TRP 35 HH2 TRP 35 -6.729 10.652 0.711 118 H LEU 36 H LEU 36 -8.640 12.979 -5.918 119 HA LEU 36 HA LEU 36 -9.401 10.281 -5.586 120 HB2 LEU 36 HB2 LEU 36 -11.112 12.724 -6.022 121 HB3 LEU 36 HB3 LEU 36 -11.695 11.158 -5.462 122 HG LEU 36 HG LEU 36 -9.593 12.597 -3.898 123 HD11 LEU 36 HD11 LEU 36 -12.553 13.127 -3.690 124 HD12 LEU 36 HD12 LEU 36 -11.357 14.253 -4.330 125 HD13 LEU 36 HD13 LEU 36 -11.293 13.770 -2.635 126 HD21 LEU 36 HD21 LEU 36 -11.326 10.297 -3.591 127 HD22 LEU 36 HD22 LEU 36 -11.475 11.420 -2.239 128 HD23 LEU 36 HD23 LEU 36 -9.895 10.764 -2.671 129 H GLU 37 H GLU 37 -9.406 12.429 -8.325 130 HA GLU 37 HA GLU 37 -11.222 10.988 -9.950 131 HB2 GLU 37 HB2 GLU 37 -9.554 13.302 -10.197 132 HB3 GLU 37 HB3 GLU 37 -9.307 12.271 -11.599 133 HG2 GLU 37 HG2 GLU 37 -12.101 12.449 -11.037 134 HG3 GLU 37 HG3 GLU 37 -11.408 14.068 -11.115 135 H SER 38 H SER 38 -7.854 10.593 -9.200 136 HA SER 38 HA SER 38 -7.199 8.916 -11.409 137 HB2 SER 38 HB2 SER 38 -5.820 10.089 -9.218 138 HB3 SER 38 HB3 SER 38 -5.523 8.352 -9.157 139 HG SER 38 HG SER 38 -4.500 8.439 -11.037 140 H ILE 39 H ILE 39 -8.728 8.410 -8.352 141 HA ILE 39 HA ILE 39 -8.475 5.499 -8.623 142 HB ILE 39 HB ILE 39 -9.381 5.384 -6.331 143 HG12 ILE 39 HG12 ILE 39 -9.224 8.404 -6.444 144 HG13 ILE 39 HG13 ILE 39 -10.705 7.455 -6.378 145 HG21 ILE 39 HG21 ILE 39 -6.842 6.247 -7.149 146 HG22 ILE 39 HG22 ILE 39 -7.251 7.209 -5.729 147 HG23 ILE 39 HG23 ILE 39 -7.273 5.448 -5.637 148 HD11 ILE 39 HD11 ILE 39 -10.171 8.379 -4.207 149 HD12 ILE 39 HD12 ILE 39 -10.057 6.620 -4.173 150 HD13 ILE 39 HD13 ILE 39 -8.591 7.597 -4.242 151 H GLY 40 H GLY 40 -10.684 8.093 -9.012 152 HA2 GLY 40 HA2 GLY 40 -12.715 7.857 -10.212 153 HA3 GLY 40 HA3 GLY 40 -12.779 6.170 -9.720 154 H LEU 41 H LEU 41 -12.054 8.596 -7.358 155 HA LEU 41 HA LEU 41 -14.770 8.287 -6.256 156 HB2 LEU 41 HB2 LEU 41 -12.110 8.038 -5.042 157 HB3 LEU 41 HB3 LEU 41 -13.253 9.007 -4.115 158 HG LEU 41 HG LEU 41 -13.148 6.622 -3.428 159 HD11 LEU 41 HD11 LEU 41 -15.217 6.935 -2.700 160 HD12 LEU 41 HD12 LEU 41 -15.870 6.620 -4.306 161 HD13 LEU 41 HD13 LEU 41 -15.396 8.257 -3.853 162 HD21 LEU 41 HD21 LEU 41 -14.738 5.795 -5.774 163 HD22 LEU 41 HD22 LEU 41 -13.568 4.888 -4.815 164 HD23 LEU 41 HD23 LEU 41 -13.010 6.026 -6.043 165 H GLN 42 H GLN 42 -13.283 10.383 -7.997 166 HA GLN 42 HA GLN 42 -12.986 12.764 -6.605 167 HB2 GLN 42 HB2 GLN 42 -12.534 12.171 -9.104 168 HB3 GLN 42 HB3 GLN 42 -14.183 12.732 -9.355 169 HG2 GLN 42 HG2 GLN 42 -12.821 14.654 -7.770 170 HG3 GLN 42 HG3 GLN 42 -11.809 14.255 -9.158 171 HE21 GLN 42 HE21 GLN 42 -15.303 14.608 -8.629 172 HE22 GLN 42 HE22 GLN 42 -15.559 15.717 -9.929 173 H GLN 43 H GLN 43 -15.854 11.039 -7.425 174 HA GLN 43 HA GLN 43 -17.709 13.163 -7.359 175 HB2 GLN 43 HB2 GLN 43 -19.402 11.418 -7.011 176 HB3 GLN 43 HB3 GLN 43 -18.279 10.983 -8.292 177 HG2 GLN 43 HG2 GLN 43 -17.193 9.930 -5.938 178 HG3 GLN 43 HG3 GLN 43 -18.920 9.583 -5.876 179 HE21 GLN 43 HE21 GLN 43 -16.646 7.783 -6.232 180 HE22 GLN 43 HE22 GLN 43 -16.928 6.949 -7.718 181 H TYR 44 H TYR 44 -16.240 11.203 -4.855 182 HA TYR 44 HA TYR 44 -17.973 12.236 -2.784 183 HB2 TYR 44 HB2 TYR 44 -16.103 10.065 -3.054 184 HB3 TYR 44 HB3 TYR 44 -15.719 11.006 -1.616 185 HD1 TYR 44 HD2 TYR 44 -18.317 11.840 -0.629 186 HD2 TYR 44 HD1 TYR 44 -17.154 8.126 -2.349 187 HE1 TYR 44 HE2 TYR 44 -20.129 10.713 0.595 188 HE2 TYR 44 HE1 TYR 44 -18.962 6.988 -1.129 189 HH TYR 44 HH TYR 44 -21.415 8.016 -0.098 190 H GLU 45 H GLU 45 -15.496 13.539 -4.474 191 HA GLU 45 HA GLU 45 -13.714 14.629 -2.677 192 HB2 GLU 45 HB2 GLU 45 -13.357 14.935 -5.019 193 HB3 GLU 45 HB3 GLU 45 -14.882 15.791 -5.204 194 HG2 GLU 45 HG2 GLU 45 -13.222 17.117 -3.272 195 HG3 GLU 45 HG3 GLU 45 -12.348 16.885 -4.786 196 H SER 46 H SER 46 -16.879 15.911 -3.647 197 HA SER 46 HA SER 46 -16.893 18.302 -2.298 198 HB2 SER 46 HB2 SER 46 -18.924 16.442 -3.290 199 HB3 SER 46 HB3 SER 46 -19.473 17.393 -1.909 200 HG SER 46 HG SER 46 -19.139 19.241 -3.037 201 H LYS 47 H LYS 47 -17.594 15.082 -1.015 202 HA LYS 47 HA LYS 47 -18.324 15.952 1.585 203 HB2 LYS 47 HB2 LYS 47 -17.498 13.317 0.409 204 HB3 LYS 47 HB3 LYS 47 -17.701 13.489 2.148 205 HG2 LYS 47 HG2 LYS 47 -19.816 14.054 0.078 206 HG3 LYS 47 HG3 LYS 47 -19.703 12.594 1.064 207 HD2 LYS 47 HD2 LYS 47 -20.774 13.594 2.737 208 HD3 LYS 47 HD3 LYS 47 -19.592 14.906 2.754 209 HE2 LYS 47 HE2 LYS 47 -20.947 15.725 0.661 210 HE3 LYS 47 HE3 LYS 47 -22.224 14.730 1.359 211 HZ1 LYS 47 HZ1 LYS 47 -22.684 16.435 2.674 212 HZ2 LYS 47 HZ2 LYS 47 -21.326 17.299 2.154 213 HZ3 LYS 47 HZ3 LYS 47 -21.194 16.212 3.443 214 H LEU 48 H LEU 48 -15.274 15.018 0.101 215 HA LEU 48 HA LEU 48 -13.821 15.122 2.588 216 HB2 LEU 48 HB2 LEU 48 -13.359 13.773 0.363 217 HB3 LEU 48 HB3 LEU 48 -12.454 15.228 -0.052 218 HG LEU 48 HG LEU 48 -11.901 13.916 2.564 219 HD11 LEU 48 HD11 LEU 48 -11.836 11.982 1.239 220 HD12 LEU 48 HD12 LEU 48 -10.164 12.531 1.327 221 HD13 LEU 48 HD13 LEU 48 -11.116 12.836 -0.126 222 HD21 LEU 48 HD21 LEU 48 -9.538 14.593 1.627 223 HD22 LEU 48 HD22 LEU 48 -10.611 15.795 2.346 224 HD23 LEU 48 HD23 LEU 48 -10.499 15.649 0.591 225 H LEU 49 H LEU 49 -15.061 17.433 0.571 226 HA LEU 49 HA LEU 49 -12.894 19.345 1.108 227 HB2 LEU 49 HB2 LEU 49 -13.519 19.191 -1.217 228 HB3 LEU 49 HB3 LEU 49 -15.213 19.459 -0.814 229 HG LEU 49 HG LEU 49 -14.740 21.748 -0.188 230 HD11 LEU 49 HD11 LEU 49 -12.494 22.700 -0.532 231 HD12 LEU 49 HD12 LEU 49 -11.875 21.078 -0.844 232 HD13 LEU 49 HD13 LEU 49 -12.528 21.482 0.744 233 HD21 LEU 49 HD21 LEU 49 -13.737 20.831 -2.863 234 HD22 LEU 49 HD22 LEU 49 -13.809 22.541 -2.439 235 HD23 LEU 49 HD23 LEU 49 -15.284 21.573 -2.454 236 H LEU 50 H LEU 50 -16.397 18.907 1.396 237 HA LEU 50 HA LEU 50 -16.897 21.374 2.694 238 HB2 LEU 50 HB2 LEU 50 -18.404 19.216 1.740 239 HB3 LEU 50 HB3 LEU 50 -18.757 19.316 3.464 240 HG LEU 50 HG LEU 50 -19.181 21.457 1.384 241 HD11 LEU 50 HD11 LEU 50 -20.839 19.407 2.590 242 HD12 LEU 50 HD12 LEU 50 -21.149 20.437 1.192 243 HD13 LEU 50 HD13 LEU 50 -21.504 21.025 2.816 244 HD21 LEU 50 HD21 LEU 50 -19.138 21.574 4.364 245 HD22 LEU 50 HD22 LEU 50 -20.293 22.568 3.475 246 HD23 LEU 50 HD23 LEU 50 -18.563 22.749 3.182 247 H ASN 51 H ASN 51 -15.488 18.463 3.756 248 HA ASN 51 HA ASN 51 -16.095 18.988 6.568 249 HB2 ASN 51 HB2 ASN 51 -15.119 16.651 5.020 250 HB3 ASN 51 HB3 ASN 51 -14.517 16.809 6.667 251 HD21 ASN 51 HD21 ASN 51 -17.474 16.742 4.747 252 HD22 ASN 51 HD22 ASN 51 -18.469 16.048 5.977 253 H GLY 52 H GLY 52 -14.226 20.571 4.745 254 HA2 GLY 52 HA2 GLY 52 -12.169 21.591 4.874 255 HA3 GLY 52 HA3 GLY 52 -12.390 21.424 6.609 256 H PHE 53 H PHE 53 -12.133 18.696 4.427 257 HA PHE 53 HA PHE 53 -9.568 18.018 5.702 258 HB2 PHE 53 HB2 PHE 53 -11.898 16.540 5.615 259 HB3 PHE 53 HB3 PHE 53 -10.941 15.841 4.312 260 HD1 PHE 53 HD1 PHE 53 -8.228 15.997 5.318 261 HD2 PHE 53 HD2 PHE 53 -11.834 15.047 7.368 262 HE1 PHE 53 HE1 PHE 53 -6.945 14.688 6.960 263 HE2 PHE 53 HE2 PHE 53 -10.557 13.736 9.013 264 HZ PHE 53 HZ PHE 53 -8.110 13.557 8.811 265 H ASP 54 H ASP 54 -10.484 19.476 3.063 266 HA ASP 54 HA ASP 54 -9.487 17.976 0.904 267 HB2 ASP 54 HB2 ASP 54 -9.711 19.914 -0.374 268 HB3 ASP 54 HB3 ASP 54 -10.885 20.164 0.915 269 H ASP 55 H ASP 55 -7.890 19.534 3.475 270 HA ASP 55 HA ASP 55 -5.498 20.386 2.394 271 HB2 ASP 55 HB2 ASP 55 -6.037 19.032 5.042 272 HB3 ASP 55 HB3 ASP 55 -4.498 19.780 4.627 273 H VAL 56 H VAL 56 -4.467 19.245 0.857 274 HA VAL 56 HA VAL 56 -4.254 16.400 0.881 275 HB VAL 56 HB VAL 56 -2.719 18.428 -0.750 276 HG11 VAL 56 HG11 VAL 56 -1.478 16.428 -0.819 277 HG12 VAL 56 HG12 VAL 56 -2.933 15.435 -0.928 278 HG13 VAL 56 HG13 VAL 56 -2.440 16.434 -2.296 279 HG21 VAL 56 HG21 VAL 56 -4.559 17.047 -2.341 280 HG22 VAL 56 HG22 VAL 56 -5.437 17.491 -0.878 281 HG23 VAL 56 HG23 VAL 56 -4.635 18.736 -1.836 282 H HIS 57 H HIS 57 -2.447 18.953 2.293 283 HA HIS 57 HA HIS 57 -0.054 17.326 2.634 284 HB2 HIS 57 HB2 HIS 57 0.891 19.334 3.710 285 HB3 HIS 57 HB3 HIS 57 0.253 19.689 2.107 286 HD1 HIS 57 HD1 HIS 57 -1.157 21.711 1.998 287 HD2 HIS 57 HD2 HIS 57 -1.129 20.059 5.810 288 HE1 HIS 57 HE1 HIS 57 -2.517 23.278 3.421 289 H PHE 58 H PHE 58 -2.838 16.996 3.974 290 HA PHE 58 HA PHE 58 -1.814 16.778 6.729 291 HB2 PHE 58 HB2 PHE 58 -4.091 18.147 5.802 292 HB3 PHE 58 HB3 PHE 58 -4.696 16.697 6.595 293 HD1 PHE 58 HD1 PHE 58 -4.088 16.258 8.972 294 HD2 PHE 58 HD2 PHE 58 -3.220 19.950 7.040 295 HE1 PHE 58 HE1 PHE 58 -3.786 17.330 11.165 296 HE2 PHE 58 HE2 PHE 58 -2.915 21.028 9.231 297 HZ PHE 58 HZ PHE 58 -3.197 19.717 11.297 298 H LEU 59 H LEU 59 -2.924 15.110 4.018 299 HA LEU 59 HA LEU 59 -4.313 12.945 5.054 300 HB2 LEU 59 HB2 LEU 59 -2.293 12.723 2.840 301 HB3 LEU 59 HB3 LEU 59 -3.760 11.775 3.072 302 HG LEU 59 HG LEU 59 -3.576 14.660 2.215 303 HD11 LEU 59 HD11 LEU 59 -4.829 13.681 0.230 304 HD12 LEU 59 HD12 LEU 59 -4.333 12.102 0.837 305 HD13 LEU 59 HD13 LEU 59 -3.114 13.288 0.368 306 HD21 LEU 59 HD21 LEU 59 -6.170 13.992 1.889 307 HD22 LEU 59 HD22 LEU 59 -5.540 14.840 3.302 308 HD23 LEU 59 HD23 LEU 59 -5.792 13.094 3.359 309 H GLY 60 H GLY 60 -0.909 13.680 5.168 310 HA2 GLY 60 HA2 GLY 60 -0.328 11.025 6.287 311 HA3 GLY 60 HA3 GLY 60 0.867 12.178 5.710 312 H SER 61 H SER 61 -1.643 13.479 7.636 313 HA SER 61 HA SER 61 0.069 13.389 10.028 314 HB2 SER 61 HB2 SER 61 -0.134 15.631 8.522 315 HB3 SER 61 HB3 SER 61 -1.502 15.864 9.611 316 HG SER 61 HG SER 61 0.778 16.588 10.227 317 H ASN 62 H ASN 62 -3.170 14.319 8.865 318 HA ASN 62 HA ASN 62 -4.502 14.218 11.298 319 HB2 ASN 62 HB2 ASN 62 -5.208 14.580 8.610 320 HB3 ASN 62 HB3 ASN 62 -6.176 13.216 9.160 321 HD21 ASN 62 HD21 ASN 62 -6.226 16.424 8.783 322 HD22 ASN 62 HD22 ASN 62 -7.334 16.871 10.030 323 H VAL 63 H VAL 63 -6.378 12.535 11.639 324 HA VAL 63 HA VAL 63 -5.110 10.054 12.249 325 HB VAL 63 HB VAL 63 -6.842 10.952 13.710 326 HG11 VAL 63 HG11 VAL 63 -8.976 10.251 11.751 327 HG12 VAL 63 HG12 VAL 63 -9.011 11.392 13.096 328 HG13 VAL 63 HG13 VAL 63 -8.159 11.806 11.608 329 HG21 VAL 63 HG21 VAL 63 -6.950 8.277 12.537 330 HG22 VAL 63 HG22 VAL 63 -6.917 8.773 14.229 331 HG23 VAL 63 HG23 VAL 63 -8.442 8.763 13.343 332 H MET 64 H MET 64 -7.584 11.048 9.909 333 HA MET 64 HA MET 64 -8.563 9.928 8.169 334 HB2 MET 64 HB2 MET 64 -5.625 9.395 7.938 335 HB3 MET 64 HB3 MET 64 -6.732 8.658 6.787 336 HG2 MET 64 HG2 MET 64 -7.327 11.448 7.081 337 HG3 MET 64 HG3 MET 64 -5.621 11.221 6.703 338 HE1 MET 64 HE1 MET 64 -9.261 9.757 5.255 339 HE2 MET 64 HE2 MET 64 -9.061 11.454 5.691 340 HE3 MET 64 HE3 MET 64 -9.160 10.986 3.993 341 H GLU 65 H GLU 65 -9.218 8.568 10.356 342 HA GLU 65 HA GLU 65 -8.490 5.765 9.986 343 HB2 GLU 65 HB2 GLU 65 -9.291 7.380 12.214 344 HB3 GLU 65 HB3 GLU 65 -10.424 6.047 12.037 345 HG2 GLU 65 HG2 GLU 65 -7.545 5.394 11.877 346 HG3 GLU 65 HG3 GLU 65 -8.182 5.861 13.453 347 H GLU 66 H GLU 66 -10.507 4.254 10.491 348 HA GLU 66 HA GLU 66 -12.111 4.242 8.232 349 HB2 GLU 66 HB2 GLU 66 -13.546 2.625 9.498 350 HB3 GLU 66 HB3 GLU 66 -11.834 2.230 9.498 351 HG2 GLU 66 HG2 GLU 66 -11.732 3.412 11.751 352 HG3 GLU 66 HG3 GLU 66 -13.492 3.340 11.733 353 H GLN 67 H GLN 67 -12.888 5.410 11.494 354 HA GLN 67 HA GLN 67 -15.539 6.190 10.887 355 HB2 GLN 67 HB2 GLN 67 -13.918 6.098 13.170 356 HB3 GLN 67 HB3 GLN 67 -14.352 7.793 12.981 357 HG2 GLN 67 HG2 GLN 67 -16.210 7.266 14.077 358 HG3 GLN 67 HG3 GLN 67 -16.740 6.527 12.567 359 HE21 GLN 67 HE21 GLN 67 -16.653 4.291 12.341 360 HE22 GLN 67 HE22 GLN 67 -16.488 3.237 13.701 361 H ASP 68 H ASP 68 -12.460 7.927 10.889 362 HA ASP 68 HA ASP 68 -13.335 10.515 10.506 363 HB2 ASP 68 HB2 ASP 68 -10.912 9.440 10.668 364 HB3 ASP 68 HB3 ASP 68 -10.989 9.585 8.914 365 H LEU 69 H LEU 69 -12.952 7.939 8.122 366 HA LEU 69 HA LEU 69 -13.586 9.592 5.879 367 HB2 LEU 69 HB2 LEU 69 -13.835 6.599 6.005 368 HB3 LEU 69 HB3 LEU 69 -13.540 7.607 4.589 369 HG LEU 69 HG LEU 69 -11.445 7.881 6.583 370 HD11 LEU 69 HD11 LEU 69 -10.720 5.768 6.870 371 HD12 LEU 69 HD12 LEU 69 -11.281 5.243 5.283 372 HD13 LEU 69 HD13 LEU 69 -12.420 5.371 6.623 373 HD21 LEU 69 HD21 LEU 69 -11.675 8.352 3.964 374 HD22 LEU 69 HD22 LEU 69 -10.974 6.734 3.896 375 HD23 LEU 69 HD23 LEU 69 -10.126 8.027 4.746 376 H ARG 70 H ARG 70 -15.415 7.689 8.148 377 HA ARG 70 HA ARG 70 -17.824 7.631 6.595 378 HB2 ARG 70 HB2 ARG 70 -17.242 5.951 8.360 379 HB3 ARG 70 HB3 ARG 70 -17.503 7.202 9.568 380 HG2 ARG 70 HG2 ARG 70 -19.719 6.967 9.493 381 HG3 ARG 70 HG3 ARG 70 -19.742 6.897 7.730 382 HD2 ARG 70 HD2 ARG 70 -18.656 4.512 8.221 383 HD3 ARG 70 HD3 ARG 70 -19.559 4.711 9.723 384 HE ARG 70 HE ARG 70 -21.300 5.316 7.653 385 HH11 ARG 70 HH11 ARG 70 -19.473 2.571 8.770 386 HH12 ARG 70 HH12 ARG 70 -20.603 1.406 8.163 387 HH21 ARG 70 HH21 ARG 70 -22.795 3.793 6.848 388 HH22 ARG 70 HH22 ARG 70 -22.492 2.103 7.068 389 H ASP 71 H ASP 71 -16.524 9.649 9.175 390 HA ASP 71 HA ASP 71 -18.854 11.136 9.704 391 HB2 ASP 71 HB2 ASP 71 -16.646 11.025 11.037 392 HB3 ASP 71 HB3 ASP 71 -16.077 12.272 9.931 393 H ILE 72 H ILE 72 -16.303 11.506 7.313 394 HA ILE 72 HA ILE 72 -17.209 14.074 6.405 395 HB ILE 72 HB ILE 72 -15.633 13.720 4.523 396 HG12 ILE 72 HG12 ILE 72 -15.026 11.094 5.899 397 HG13 ILE 72 HG13 ILE 72 -15.917 11.252 4.389 398 HG21 ILE 72 HG21 ILE 72 -14.972 14.628 6.782 399 HG22 ILE 72 HG22 ILE 72 -14.334 13.026 7.146 400 HG23 ILE 72 HG23 ILE 72 -13.660 13.961 5.811 401 HD11 ILE 72 HD11 ILE 72 -13.923 12.285 3.370 402 HD12 ILE 72 HD12 ILE 72 -13.044 11.996 4.871 403 HD13 ILE 72 HD13 ILE 72 -13.648 10.635 3.926 404 H GLY 73 H GLY 73 -17.844 10.743 5.584 405 HA2 GLY 73 HA2 GLY 73 -20.230 10.813 4.486 406 HA3 GLY 73 HA3 GLY 73 -19.308 11.529 3.172 407 H ILE 74 H ILE 74 -16.964 9.946 3.460 408 HA ILE 74 HA ILE 74 -17.662 7.730 1.875 409 HB ILE 74 HB ILE 74 -15.116 8.087 3.457 410 HG12 ILE 74 HG12 ILE 74 -15.732 8.969 0.629 411 HG13 ILE 74 HG13 ILE 74 -15.667 10.046 2.020 412 HG21 ILE 74 HG21 ILE 74 -14.496 6.152 2.569 413 HG22 ILE 74 HG22 ILE 74 -16.051 6.011 1.753 414 HG23 ILE 74 HG23 ILE 74 -14.710 6.831 0.955 415 HD11 ILE 74 HD11 ILE 74 -13.577 9.334 0.328 416 HD12 ILE 74 HD12 ILE 74 -13.471 10.233 1.841 417 HD13 ILE 74 HD13 ILE 74 -13.264 8.482 1.839 418 H SER 75 H SER 75 -19.002 6.223 2.697 419 HA SER 75 HA SER 75 -18.236 4.972 5.254 420 HB2 SER 75 HB2 SER 75 -20.717 4.206 5.219 421 HB3 SER 75 HB3 SER 75 -20.359 5.878 5.651 422 HG SER 75 HG SER 75 -21.380 6.520 3.929 423 H ASP 76 H ASP 76 -18.174 4.535 2.001 424 HA ASP 76 HA ASP 76 -18.950 1.760 1.893 425 HB2 ASP 76 HB2 ASP 76 -18.122 3.829 -0.015 426 HB3 ASP 76 HB3 ASP 76 -17.503 2.225 -0.400 427 HA PRO 77 HA PRO 77 -15.131 -0.092 3.019 428 HB2 PRO 77 HB2 PRO 77 -15.232 -2.368 1.544 429 HB3 PRO 77 HB3 PRO 77 -16.243 -2.102 2.968 430 HG2 PRO 77 HG2 PRO 77 -16.935 -1.796 0.072 431 HG3 PRO 77 HG3 PRO 77 -17.887 -2.524 1.379 432 HD2 PRO 77 HD2 PRO 77 -18.339 -0.013 0.470 433 HD3 PRO 77 HD3 PRO 77 -18.608 -0.479 2.162 434 H GLN 78 H GLN 78 -15.802 -0.260 -0.480 435 HA GLN 78 HA GLN 78 -13.042 -0.426 -1.189 436 HB2 GLN 78 HB2 GLN 78 -13.890 -0.029 -3.511 437 HB3 GLN 78 HB3 GLN 78 -14.651 -1.381 -2.684 438 HG2 GLN 78 HG2 GLN 78 -16.673 -0.453 -2.781 439 HG3 GLN 78 HG3 GLN 78 -16.067 1.135 -2.314 440 HE21 GLN 78 HE21 GLN 78 -17.931 0.074 -4.468 441 HE22 GLN 78 HE22 GLN 78 -17.366 0.835 -5.913 442 H HIS 79 H HIS 79 -14.932 2.103 -0.110 443 HA HIS 79 HA HIS 79 -13.343 4.119 -1.542 444 HB2 HIS 79 HB2 HIS 79 -15.922 4.388 0.017 445 HB3 HIS 79 HB3 HIS 79 -15.051 5.737 -0.708 446 HD1 HIS 79 HD1 HIS 79 -17.600 5.810 -1.867 447 HD2 HIS 79 HD2 HIS 79 -14.896 2.948 -3.195 448 HE1 HIS 79 HE1 HIS 79 -18.440 5.088 -4.124 449 H ARG 80 H ARG 80 -13.774 2.610 1.491 450 HA ARG 80 HA ARG 80 -12.569 4.782 3.003 451 HB2 ARG 80 HB2 ARG 80 -14.044 2.335 3.620 452 HB3 ARG 80 HB3 ARG 80 -12.662 2.586 4.677 453 HG2 ARG 80 HG2 ARG 80 -13.636 5.008 4.870 454 HG3 ARG 80 HG3 ARG 80 -15.130 4.216 4.363 455 HD2 ARG 80 HD2 ARG 80 -13.435 3.530 6.759 456 HD3 ARG 80 HD3 ARG 80 -15.033 4.275 6.771 457 HE ARG 80 HE ARG 80 -14.920 1.693 5.489 458 HH11 ARG 80 HH11 ARG 80 -15.401 3.424 8.470 459 HH12 ARG 80 HH12 ARG 80 -16.301 2.146 9.218 460 HH21 ARG 80 HH21 ARG 80 -16.104 0.004 6.462 461 HH22 ARG 80 HH22 ARG 80 -16.699 0.201 8.075 462 H ARG 81 H ARG 81 -11.769 1.482 1.983 463 HA ARG 81 HA ARG 81 -9.190 1.480 3.200 464 HB2 ARG 81 HB2 ARG 81 -10.611 -0.543 2.529 465 HB3 ARG 81 HB3 ARG 81 -10.034 -0.262 0.892 466 HG2 ARG 81 HG2 ARG 81 -8.306 -1.557 1.397 467 HG3 ARG 81 HG3 ARG 81 -7.732 -0.247 2.432 468 HD2 ARG 81 HD2 ARG 81 -8.424 -1.271 4.346 469 HD3 ARG 81 HD3 ARG 81 -9.776 -2.079 3.553 470 HE ARG 81 HE ARG 81 -8.418 -3.874 3.149 471 HH11 ARG 81 HH11 ARG 81 -6.451 -1.125 3.983 472 HH12 ARG 81 HH12 ARG 81 -4.981 -2.038 4.067 473 HH21 ARG 81 HH21 ARG 81 -6.489 -5.087 3.256 474 HH22 ARG 81 HH22 ARG 81 -5.003 -4.291 3.652 475 H LYS 82 H LYS 82 -10.441 2.371 0.052 476 HA LYS 82 HA LYS 82 -7.929 2.533 -1.270 477 HB2 LYS 82 HB2 LYS 82 -10.444 2.516 -2.165 478 HB3 LYS 82 HB3 LYS 82 -10.197 4.257 -2.138 479 HG2 LYS 82 HG2 LYS 82 -8.675 4.211 -3.828 480 HG3 LYS 82 HG3 LYS 82 -8.110 2.587 -3.425 481 HD2 LYS 82 HD2 LYS 82 -10.873 2.511 -4.216 482 HD3 LYS 82 HD3 LYS 82 -9.910 3.326 -5.450 483 HE2 LYS 82 HE2 LYS 82 -9.049 0.713 -4.249 484 HE3 LYS 82 HE3 LYS 82 -10.171 0.779 -5.608 485 HZ1 LYS 82 HZ1 LYS 82 -8.424 2.187 -6.738 486 HZ2 LYS 82 HZ2 LYS 82 -8.053 0.548 -6.546 487 HZ3 LYS 82 HZ3 LYS 82 -7.360 1.698 -5.517 488 H LEU 83 H LEU 83 -10.012 4.939 0.302 489 HA LEU 83 HA LEU 83 -8.333 7.155 -0.247 490 HB2 LEU 83 HB2 LEU 83 -10.847 6.907 0.644 491 HB3 LEU 83 HB3 LEU 83 -10.028 7.195 2.178 492 HG LEU 83 HG LEU 83 -9.050 9.178 0.495 493 HD11 LEU 83 HD11 LEU 83 -10.566 9.148 -1.200 494 HD12 LEU 83 HD12 LEU 83 -11.444 10.166 -0.059 495 HD13 LEU 83 HD13 LEU 83 -11.842 8.454 -0.199 496 HD21 LEU 83 HD21 LEU 83 -9.759 9.193 2.942 497 HD22 LEU 83 HD22 LEU 83 -11.388 9.519 2.351 498 HD23 LEU 83 HD23 LEU 83 -10.080 10.651 2.004 499 H LEU 84 H LEU 84 -8.213 4.636 2.087 500 HA LEU 84 HA LEU 84 -6.459 6.106 3.881 501 HB2 LEU 84 HB2 LEU 84 -8.061 3.693 4.004 502 HB3 LEU 84 HB3 LEU 84 -6.436 3.435 4.639 503 HG LEU 84 HG LEU 84 -6.743 5.039 6.345 504 HD11 LEU 84 HD11 LEU 84 -7.768 6.835 5.186 505 HD12 LEU 84 HD12 LEU 84 -8.868 6.373 6.484 506 HD13 LEU 84 HD13 LEU 84 -9.202 5.873 4.826 507 HD21 LEU 84 HD21 LEU 84 -8.743 4.233 7.514 508 HD22 LEU 84 HD22 LEU 84 -7.828 2.911 6.790 509 HD23 LEU 84 HD23 LEU 84 -9.308 3.485 6.020 510 H GLN 85 H GLN 85 -6.277 3.756 1.323 511 HA GLN 85 HA GLN 85 -3.550 3.008 1.879 512 HB2 GLN 85 HB2 GLN 85 -5.466 1.681 0.631 513 HB3 GLN 85 HB3 GLN 85 -4.832 2.523 -0.775 514 HG2 GLN 85 HG2 GLN 85 -2.537 1.609 0.201 515 HG3 GLN 85 HG3 GLN 85 -3.617 0.386 0.869 516 HE21 GLN 85 HE21 GLN 85 -1.887 1.399 -1.830 517 HE22 GLN 85 HE22 GLN 85 -2.538 0.287 -2.981 518 H ALA 86 H ALA 86 -5.230 5.086 -0.440 519 HA ALA 86 HA ALA 86 -2.836 5.843 -1.820 520 HB1 ALA 86 HB1 ALA 86 -5.346 7.461 -1.916 521 HB2 ALA 86 HB2 ALA 86 -4.184 7.113 -3.197 522 HB3 ALA 86 HB3 ALA 86 -5.299 5.860 -2.654 523 H ALA 87 H ALA 87 -4.373 6.835 1.068 524 HA ALA 87 HA ALA 87 -3.234 9.498 1.082 525 HB1 ALA 87 HB1 ALA 87 -4.948 7.933 2.968 526 HB2 ALA 87 HB2 ALA 87 -4.137 9.403 3.509 527 HB3 ALA 87 HB3 ALA 87 -5.278 9.469 2.167 528 H ARG 88 H ARG 88 -2.695 6.404 2.718 529 HA ARG 88 HA ARG 88 -0.541 7.396 4.324 530 HB2 ARG 88 HB2 ARG 88 -2.026 4.923 4.044 531 HB3 ARG 88 HB3 ARG 88 -0.300 4.616 4.183 532 HG2 ARG 88 HG2 ARG 88 -0.329 5.034 6.359 533 HG3 ARG 88 HG3 ARG 88 -1.147 6.578 6.113 534 HD2 ARG 88 HD2 ARG 88 -3.221 4.975 5.698 535 HD3 ARG 88 HD3 ARG 88 -2.273 3.898 6.722 536 HE ARG 88 HE ARG 88 -2.503 6.515 7.834 537 HH11 ARG 88 HH11 ARG 88 -4.158 3.480 7.428 538 HH12 ARG 88 HH12 ARG 88 -5.140 3.677 8.843 539 HH21 ARG 88 HH21 ARG 88 -3.789 6.787 9.698 540 HH22 ARG 88 HH22 ARG 88 -4.930 5.558 10.132 541 H SER 89 H SER 89 -0.850 6.183 1.125 542 HA SER 89 HA SER 89 1.816 5.238 0.792 543 HB2 SER 89 HB2 SER 89 1.269 5.398 -1.662 544 HB3 SER 89 HB3 SER 89 0.124 4.443 -0.720 545 HG SER 89 HG SER 89 -0.504 6.360 -2.292 546 H LEU 90 H LEU 90 0.561 8.318 1.167 547 HA LEU 90 HA LEU 90 2.206 9.791 -0.615 548 HB2 LEU 90 HB2 LEU 90 0.486 10.402 1.719 549 HB3 LEU 90 HB3 LEU 90 1.706 11.597 1.285 550 HG LEU 90 HG LEU 90 0.528 11.135 -1.125 551 HD11 LEU 90 HD11 LEU 90 -1.823 11.312 0.694 552 HD12 LEU 90 HD12 LEU 90 -1.145 9.727 0.322 553 HD13 LEU 90 HD13 LEU 90 -1.728 10.764 -0.980 554 HD21 LEU 90 HD21 LEU 90 0.831 13.335 -0.627 555 HD22 LEU 90 HD22 LEU 90 0.218 13.165 1.018 556 HD23 LEU 90 HD23 LEU 90 -0.906 13.221 -0.340 557 HA PRO 91 HA PRO 91 6.087 9.980 1.422 558 HB2 PRO 91 HB2 PRO 91 6.818 12.569 1.054 559 HB3 PRO 91 HB3 PRO 91 6.794 11.382 -0.256 560 HG2 PRO 91 HG2 PRO 91 4.764 13.465 0.449 561 HG3 PRO 91 HG3 PRO 91 5.379 12.997 -1.147 562 HD2 PRO 91 HD2 PRO 91 2.996 12.135 -0.192 563 HD3 PRO 91 HD3 PRO 91 4.004 11.151 -1.273 564 H LYS 92 H LYS 92 7.367 11.183 3.104 565 HA LYS 92 HA LYS 92 5.760 11.571 5.424 566 HB2 LYS 92 HB2 LYS 92 7.858 11.962 6.584 567 HB3 LYS 92 HB3 LYS 92 8.020 10.581 5.508 568 HG2 LYS 92 HG2 LYS 92 8.777 12.976 4.132 569 HG3 LYS 92 HG3 LYS 92 9.658 12.847 5.656 570 HD2 LYS 92 HD2 LYS 92 10.304 10.539 5.037 571 HD3 LYS 92 HD3 LYS 92 9.504 10.761 3.480 572 HE2 LYS 92 HE2 LYS 92 11.788 11.182 3.086 573 HE3 LYS 92 HE3 LYS 92 11.018 12.768 3.150 574 HZ1 LYS 92 HZ1 LYS 92 12.781 11.486 5.133 575 HZ2 LYS 92 HZ2 LYS 92 11.698 12.692 5.615 576 HZ3 LYS 92 HZ3 LYS 92 12.884 13.035 4.459 577 H VAL 93 H VAL 93 5.604 13.461 6.724 578 HA VAL 93 HA VAL 93 5.399 15.888 5.147 579 HB VAL 93 HB VAL 93 3.588 15.218 6.714 580 HG11 VAL 93 HG11 VAL 93 5.515 14.581 8.462 581 HG12 VAL 93 HG12 VAL 93 5.117 16.199 9.046 582 HG13 VAL 93 HG13 VAL 93 3.864 14.962 8.946 583 HG21 VAL 93 HG21 VAL 93 4.380 17.736 7.935 584 HG22 VAL 93 HG22 VAL 93 4.592 17.732 6.184 585 HG23 VAL 93 HG23 VAL 93 3.013 17.370 6.882 586 H LYS 94 H LYS 94 6.525 17.771 5.487 587 HA LYS 94 HA LYS 94 9.172 17.658 6.266 588 HB2 LYS 94 HB2 LYS 94 9.074 20.146 6.354 589 HB3 LYS 94 HB3 LYS 94 8.371 19.465 4.893 590 HG2 LYS 94 HG2 LYS 94 6.445 20.476 5.292 591 HG3 LYS 94 HG3 LYS 94 6.343 19.744 6.895 592 HD2 LYS 94 HD2 LYS 94 8.136 21.617 7.453 593 HD3 LYS 94 HD3 LYS 94 7.366 22.414 6.079 594 HE2 LYS 94 HE2 LYS 94 5.178 21.648 7.412 595 HE3 LYS 94 HE3 LYS 94 6.296 21.791 8.769 596 HZ1 LYS 94 HZ1 LYS 94 5.478 23.896 6.857 597 HZ2 LYS 94 HZ2 LYS 94 6.827 24.066 7.861 598 HZ3 LYS 94 HZ3 LYS 94 5.287 23.881 8.538 599 H ALA 95 H ALA 95 6.324 18.198 8.202 600 HA ALA 95 HA ALA 95 5.993 18.382 10.447 601 HB1 ALA 95 HB1 ALA 95 7.128 16.900 11.718 602 HB2 ALA 95 HB2 ALA 95 7.736 16.365 10.150 603 HB3 ALA 95 HB3 ALA 95 8.705 17.450 11.149 604 H LEU 96 H LEU 96 7.450 19.094 12.582 605 HA LEU 96 HA LEU 96 8.269 20.907 13.683 606 HB2 LEU 96 HB2 LEU 96 9.926 20.887 11.188 607 HB3 LEU 96 HB3 LEU 96 10.131 22.151 12.398 608 HG LEU 96 HG LEU 96 10.321 19.271 13.189 609 HD11 LEU 96 HD11 LEU 96 11.907 20.304 11.186 610 HD12 LEU 96 HD12 LEU 96 12.292 18.924 12.213 611 HD13 LEU 96 HD13 LEU 96 12.878 20.532 12.640 612 HD21 LEU 96 HD21 LEU 96 10.632 20.294 15.142 613 HD22 LEU 96 HD22 LEU 96 10.804 21.873 14.376 614 HD23 LEU 96 HD23 LEU 96 12.201 20.804 14.516 615 H GLY 97 H GLY 97 5.992 21.704 13.223 616 HA2 GLY 97 HA2 GLY 97 6.206 24.418 12.222 617 HA3 GLY 97 HA3 GLY 97 5.110 23.383 11.320 618 H TYR 98 H TYR 98 3.905 21.911 13.265 619 HA TYR 98 HA TYR 98 3.028 23.416 15.497 620 HB2 TYR 98 HB2 TYR 98 0.640 23.704 14.663 621 HB3 TYR 98 HB3 TYR 98 1.834 24.815 14.003 622 HD1 TYR 98 HD2 TYR 98 2.572 24.606 11.672 623 HD2 TYR 98 HD1 TYR 98 -0.443 22.064 13.268 624 HE1 TYR 98 HE2 TYR 98 1.922 23.954 9.392 625 HE2 TYR 98 HE1 TYR 98 -1.101 21.405 10.991 626 HH TYR 98 HH TYR 98 0.153 23.009 8.180 627 H ASP 99 H ASP 99 1.832 22.185 16.901 628 HA ASP 99 HA ASP 99 0.292 19.944 16.253 629 HB2 ASP 99 HB2 ASP 99 2.994 19.381 15.956 630 HB3 ASP 99 HB3 ASP 99 2.610 18.750 17.554 631 H GLY 100 H GLY 100 -0.348 18.688 18.171 632 HA2 GLY 100 HA2 GLY 100 -0.780 18.434 20.434 633 HA3 GLY 100 HA3 GLY 100 0.470 19.624 20.770 634 H ASN 101 H ASN 101 -1.076 20.372 22.402 635 HA ASN 101 HA ASN 101 -2.555 22.618 21.430 636 HB2 ASN 101 HB2 ASN 101 -4.737 21.873 22.472 637 HB3 ASN 101 HB3 ASN 101 -4.291 21.042 20.984 638 HD21 ASN 101 HD21 ASN 101 -5.422 19.196 21.362 639 HD22 ASN 101 HD22 ASN 101 -5.039 18.084 22.627 Start of MODEL 5 1 H MET 21 H MET 21 8.067 7.070 5.727 2 HA MET 21 HA MET 21 8.913 4.858 5.158 3 HB2 MET 21 HB2 MET 21 7.020 4.195 7.184 4 HB3 MET 21 HB3 MET 21 6.594 3.306 5.728 5 HG2 MET 21 HG2 MET 21 9.127 2.716 5.677 6 HG3 MET 21 HG3 MET 21 9.067 3.154 7.383 7 HE1 MET 21 HE1 MET 21 8.839 0.561 9.008 8 HE2 MET 21 HE2 MET 21 9.343 -0.505 7.697 9 HE3 MET 21 HE3 MET 21 10.036 1.111 7.835 10 H ILE 22 H ILE 22 8.731 4.648 3.032 11 HA ILE 22 HA ILE 22 6.073 5.007 1.808 12 HB ILE 22 HB ILE 22 7.198 5.920 -0.183 13 HG12 ILE 22 HG12 ILE 22 9.673 6.764 0.691 14 HG13 ILE 22 HG13 ILE 22 9.574 5.131 1.338 15 HG21 ILE 22 HG21 ILE 22 6.384 7.302 1.832 16 HG22 ILE 22 HG22 ILE 22 8.099 7.547 2.164 17 HG23 ILE 22 HG23 ILE 22 7.412 8.087 0.632 18 HD11 ILE 22 HD11 ILE 22 10.025 6.022 -1.368 19 HD12 ILE 22 HD12 ILE 22 10.269 4.432 -0.643 20 HD13 ILE 22 HD13 ILE 22 8.683 4.882 -1.270 21 H SER 23 H SER 23 5.356 3.378 0.597 22 HA SER 23 HA SER 23 7.098 1.093 0.149 23 HB2 SER 23 HB2 SER 23 5.184 -0.182 -0.049 24 HB3 SER 23 HB3 SER 23 4.578 1.123 0.970 25 HG SER 23 HG SER 23 4.212 0.732 -1.804 26 H GLY 24 H GLY 24 5.626 3.684 -1.627 27 HA2 GLY 24 HA2 GLY 24 6.831 2.597 -4.094 28 HA3 GLY 24 HA3 GLY 24 5.226 3.312 -4.106 29 H LEU 25 H LEU 25 5.007 5.488 -4.261 30 HA LEU 25 HA LEU 25 7.402 7.154 -3.990 31 HB2 LEU 25 HB2 LEU 25 5.550 7.229 -6.367 32 HB3 LEU 25 HB3 LEU 25 6.916 8.305 -6.082 33 HG LEU 25 HG LEU 25 7.527 5.415 -6.178 34 HD11 LEU 25 HD11 LEU 25 7.567 5.453 -8.657 35 HD12 LEU 25 HD12 LEU 25 6.678 6.975 -8.612 36 HD13 LEU 25 HD13 LEU 25 5.940 5.504 -7.976 37 HD21 LEU 25 HD21 LEU 25 9.071 7.531 -5.977 38 HD22 LEU 25 HD22 LEU 25 8.899 7.554 -7.732 39 HD23 LEU 25 HD23 LEU 25 9.569 6.133 -6.929 40 H ARG 26 H ARG 26 6.893 9.481 -3.913 41 HA ARG 26 HA ARG 26 4.513 9.913 -2.318 42 HB2 ARG 26 HB2 ARG 26 5.457 12.135 -1.894 43 HB3 ARG 26 HB3 ARG 26 6.635 10.869 -1.576 44 HG2 ARG 26 HG2 ARG 26 7.129 11.489 -4.197 45 HG3 ARG 26 HG3 ARG 26 6.706 13.054 -3.499 46 HD2 ARG 26 HD2 ARG 26 9.049 12.821 -3.251 47 HD3 ARG 26 HD3 ARG 26 8.349 12.544 -1.657 48 HE ARG 26 HE ARG 26 8.647 10.087 -3.002 49 HH11 ARG 26 HH11 ARG 26 10.530 12.581 -1.468 50 HH12 ARG 26 HH12 ARG 26 11.820 11.513 -1.023 51 HH21 ARG 26 HH21 ARG 26 10.339 8.672 -2.422 52 HH22 ARG 26 HH22 ARG 26 11.711 9.291 -1.567 53 H THR 27 H THR 27 3.169 11.867 -2.700 54 HA THR 27 HA THR 27 2.740 12.280 -5.588 55 HB THR 27 HB THR 27 0.338 12.830 -4.864 56 HG1 THR 27 HG1 THR 27 -0.288 11.875 -2.894 57 HG21 THR 27 HG21 THR 27 1.254 9.976 -4.508 58 HG22 THR 27 HG22 THR 27 1.054 10.768 -6.071 59 HG23 THR 27 HG23 THR 27 -0.341 10.527 -5.018 60 H LEU 28 H LEU 28 1.996 14.355 -6.267 61 HA LEU 28 HA LEU 28 1.707 16.563 -4.537 62 HB2 LEU 28 HB2 LEU 28 3.745 17.757 -4.919 63 HB3 LEU 28 HB3 LEU 28 4.131 16.175 -4.246 64 HG LEU 28 HG LEU 28 4.210 16.457 -7.200 65 HD11 LEU 28 HD11 LEU 28 6.105 17.709 -7.335 66 HD12 LEU 28 HD12 LEU 28 6.644 17.276 -5.713 67 HD13 LEU 28 HD13 LEU 28 5.365 18.472 -5.928 68 HD21 LEU 28 HD21 LEU 28 6.325 15.202 -5.534 69 HD22 LEU 28 HD22 LEU 28 5.654 14.697 -7.085 70 HD23 LEU 28 HD23 LEU 28 4.746 14.418 -5.598 71 H GLU 29 H GLU 29 2.469 18.662 -6.091 72 HA GLU 29 HA GLU 29 1.515 19.939 -7.741 73 HB2 GLU 29 HB2 GLU 29 2.209 19.293 -9.970 74 HB3 GLU 29 HB3 GLU 29 3.501 18.945 -8.830 75 HG2 GLU 29 HG2 GLU 29 3.138 16.641 -8.939 76 HG3 GLU 29 HG3 GLU 29 1.542 16.838 -9.662 77 H GLN 30 H GLN 30 -0.398 18.309 -6.455 78 HA GLN 30 HA GLN 30 -2.362 18.103 -8.606 79 HB2 GLN 30 HB2 GLN 30 -1.607 15.874 -6.731 80 HB3 GLN 30 HB3 GLN 30 -3.198 15.946 -7.478 81 HG2 GLN 30 HG2 GLN 30 -2.112 15.965 -9.696 82 HG3 GLN 30 HG3 GLN 30 -0.551 15.773 -8.898 83 HE21 GLN 30 HE21 GLN 30 -1.219 13.974 -6.919 84 HE22 GLN 30 HE22 GLN 30 -1.644 12.463 -7.642 85 H SER 31 H SER 31 -4.560 17.337 -7.374 86 HA SER 31 HA SER 31 -4.806 18.850 -4.879 87 HB2 SER 31 HB2 SER 31 -5.401 20.356 -6.789 88 HB3 SER 31 HB3 SER 31 -6.693 19.233 -7.215 89 HG SER 31 HG SER 31 -7.576 20.812 -5.928 90 H VAL 32 H VAL 32 -7.253 18.625 -4.140 91 HA VAL 32 HA VAL 32 -7.662 15.967 -3.443 92 HB VAL 32 HB VAL 32 -9.691 18.202 -3.561 93 HG11 VAL 32 HG11 VAL 32 -9.810 15.501 -2.231 94 HG12 VAL 32 HG12 VAL 32 -10.918 16.828 -1.876 95 HG13 VAL 32 HG13 VAL 32 -10.873 16.122 -3.492 96 HG21 VAL 32 HG21 VAL 32 -7.985 17.166 -1.299 97 HG22 VAL 32 HG22 VAL 32 -7.799 18.713 -2.125 98 HG23 VAL 32 HG23 VAL 32 -9.236 18.400 -1.152 99 H GLY 33 H GLY 33 -9.403 17.887 -5.895 100 HA2 GLY 33 HA2 GLY 33 -11.117 15.908 -6.818 101 HA3 GLY 33 HA3 GLY 33 -10.523 17.244 -7.793 102 H GLU 34 H GLU 34 -8.082 16.876 -8.428 103 HA GLU 34 HA GLU 34 -7.994 14.830 -10.283 104 HB2 GLU 34 HB2 GLU 34 -6.479 16.658 -10.498 105 HB3 GLU 34 HB3 GLU 34 -5.767 16.341 -8.922 106 HG2 GLU 34 HG2 GLU 34 -4.257 15.633 -10.650 107 HG3 GLU 34 HG3 GLU 34 -4.860 14.224 -9.778 108 H TRP 35 H TRP 35 -6.484 14.900 -7.060 109 HA TRP 35 HA TRP 35 -5.263 12.431 -7.071 110 HB2 TRP 35 HB2 TRP 35 -4.900 13.932 -5.237 111 HB3 TRP 35 HB3 TRP 35 -6.607 13.908 -4.806 112 HD1 TRP 35 HD1 TRP 35 -4.480 10.762 -5.494 113 HE1 TRP 35 HE1 TRP 35 -4.439 9.336 -3.352 114 HE3 TRP 35 HE3 TRP 35 -6.942 13.954 -2.349 115 HZ2 TRP 35 HZ2 TRP 35 -5.333 9.537 -0.681 116 HZ3 TRP 35 HZ3 TRP 35 -7.308 13.261 -0.016 117 HH2 TRP 35 HH2 TRP 35 -6.520 11.098 0.798 118 H LEU 36 H LEU 36 -8.554 13.143 -5.894 119 HA LEU 36 HA LEU 36 -9.253 10.451 -5.428 120 HB2 LEU 36 HB2 LEU 36 -11.019 12.828 -5.994 121 HB3 LEU 36 HB3 LEU 36 -11.569 11.279 -5.357 122 HG LEU 36 HG LEU 36 -9.523 12.890 -3.876 123 HD11 LEU 36 HD11 LEU 36 -11.290 13.992 -2.641 124 HD12 LEU 36 HD12 LEU 36 -12.512 13.218 -3.651 125 HD13 LEU 36 HD13 LEU 36 -11.404 14.398 -4.354 126 HD21 LEU 36 HD21 LEU 36 -11.340 11.636 -2.172 127 HD22 LEU 36 HD22 LEU 36 -9.688 11.131 -2.530 128 HD23 LEU 36 HD23 LEU 36 -11.034 10.471 -3.460 129 H GLU 37 H GLU 37 -9.339 12.462 -8.275 130 HA GLU 37 HA GLU 37 -11.109 10.896 -9.823 131 HB2 GLU 37 HB2 GLU 37 -9.476 13.218 -10.195 132 HB3 GLU 37 HB3 GLU 37 -9.207 12.115 -11.536 133 HG2 GLU 37 HG2 GLU 37 -12.007 12.278 -10.995 134 HG3 GLU 37 HG3 GLU 37 -11.340 13.901 -11.160 135 H SER 38 H SER 38 -7.716 10.625 -9.087 136 HA SER 38 HA SER 38 -7.047 8.821 -11.184 137 HB2 SER 38 HB2 SER 38 -5.628 10.234 -9.272 138 HB3 SER 38 HB3 SER 38 -5.430 8.557 -8.763 139 HG SER 38 HG SER 38 -3.912 9.528 -10.410 140 H ILE 39 H ILE 39 -8.540 8.473 -8.086 141 HA ILE 39 HA ILE 39 -8.232 5.556 -8.183 142 HB ILE 39 HB ILE 39 -9.039 5.528 -5.886 143 HG12 ILE 39 HG12 ILE 39 -9.127 8.545 -6.050 144 HG13 ILE 39 HG13 ILE 39 -10.551 7.516 -6.145 145 HG21 ILE 39 HG21 ILE 39 -7.101 7.632 -5.476 146 HG22 ILE 39 HG22 ILE 39 -6.972 5.904 -5.158 147 HG23 ILE 39 HG23 ILE 39 -6.606 6.534 -6.764 148 HD11 ILE 39 HD11 ILE 39 -10.304 8.406 -3.920 149 HD12 ILE 39 HD12 ILE 39 -10.052 6.661 -3.899 150 HD13 ILE 39 HD13 ILE 39 -8.670 7.753 -3.810 151 H GLY 40 H GLY 40 -10.472 8.056 -8.796 152 HA2 GLY 40 HA2 GLY 40 -12.514 7.721 -9.929 153 HA3 GLY 40 HA3 GLY 40 -12.535 6.061 -9.353 154 H LEU 41 H LEU 41 -11.864 8.624 -7.122 155 HA LEU 41 HA LEU 41 -14.565 8.298 -5.990 156 HB2 LEU 41 HB2 LEU 41 -12.290 7.522 -4.794 157 HB3 LEU 41 HB3 LEU 41 -12.357 9.195 -4.241 158 HG LEU 41 HG LEU 41 -14.593 8.753 -3.285 159 HD11 LEU 41 HD11 LEU 41 -15.737 6.864 -3.609 160 HD12 LEU 41 HD12 LEU 41 -14.313 5.851 -3.369 161 HD13 LEU 41 HD13 LEU 41 -14.624 6.577 -4.946 162 HD21 LEU 41 HD21 LEU 41 -13.594 6.865 -1.652 163 HD22 LEU 41 HD22 LEU 41 -13.139 8.568 -1.571 164 HD23 LEU 41 HD23 LEU 41 -12.108 7.419 -2.426 165 H GLN 42 H GLN 42 -13.125 10.343 -7.842 166 HA GLN 42 HA GLN 42 -12.897 12.801 -6.587 167 HB2 GLN 42 HB2 GLN 42 -12.446 12.087 -9.055 168 HB3 GLN 42 HB3 GLN 42 -14.110 12.587 -9.321 169 HG2 GLN 42 HG2 GLN 42 -12.788 14.628 -7.852 170 HG3 GLN 42 HG3 GLN 42 -11.783 14.185 -9.231 171 HE21 GLN 42 HE21 GLN 42 -12.166 16.176 -10.217 172 HE22 GLN 42 HE22 GLN 42 -13.675 16.547 -10.971 173 H GLN 43 H GLN 43 -15.728 10.969 -7.339 174 HA GLN 43 HA GLN 43 -17.632 13.049 -7.342 175 HB2 GLN 43 HB2 GLN 43 -19.283 11.282 -6.937 176 HB3 GLN 43 HB3 GLN 43 -18.142 10.815 -8.190 177 HG2 GLN 43 HG2 GLN 43 -17.037 9.880 -5.809 178 HG3 GLN 43 HG3 GLN 43 -18.759 9.525 -5.698 179 HE21 GLN 43 HE21 GLN 43 -16.447 7.744 -6.025 180 HE22 GLN 43 HE22 GLN 43 -16.762 6.829 -7.456 181 H TYR 44 H TYR 44 -16.113 11.219 -4.770 182 HA TYR 44 HA TYR 44 -17.866 12.306 -2.738 183 HB2 TYR 44 HB2 TYR 44 -15.994 10.133 -2.928 184 HB3 TYR 44 HB3 TYR 44 -15.599 11.130 -1.532 185 HD1 TYR 44 HD1 TYR 44 -17.434 11.599 0.163 186 HD2 TYR 44 HD2 TYR 44 -17.792 8.624 -2.856 187 HE1 TYR 44 HE1 TYR 44 -19.233 10.520 1.448 188 HE2 TYR 44 HE2 TYR 44 -19.592 7.537 -1.580 189 HH TYR 44 HH TYR 44 -21.205 8.043 0.124 190 H GLU 45 H GLU 45 -15.531 13.665 -4.491 191 HA GLU 45 HA GLU 45 -13.671 14.790 -2.793 192 HB2 GLU 45 HB2 GLU 45 -13.477 15.108 -5.160 193 HB3 GLU 45 HB3 GLU 45 -15.019 15.950 -5.231 194 HG2 GLU 45 HG2 GLU 45 -14.140 17.852 -4.139 195 HG3 GLU 45 HG3 GLU 45 -12.666 16.998 -3.687 196 H SER 46 H SER 46 -16.867 16.101 -3.657 197 HA SER 46 HA SER 46 -16.834 18.431 -2.199 198 HB2 SER 46 HB2 SER 46 -18.886 16.677 -3.304 199 HB3 SER 46 HB3 SER 46 -19.431 17.511 -1.849 200 HG SER 46 HG SER 46 -19.255 18.490 -4.283 201 H LYS 47 H LYS 47 -17.838 15.214 -1.063 202 HA LYS 47 HA LYS 47 -18.466 15.967 1.567 203 HB2 LYS 47 HB2 LYS 47 -18.081 13.481 0.086 204 HB3 LYS 47 HB3 LYS 47 -17.570 13.354 1.765 205 HG2 LYS 47 HG2 LYS 47 -19.807 12.692 1.769 206 HG3 LYS 47 HG3 LYS 47 -19.835 14.355 2.360 207 HD2 LYS 47 HD2 LYS 47 -20.237 14.989 -0.108 208 HD3 LYS 47 HD3 LYS 47 -20.658 13.288 -0.321 209 HE2 LYS 47 HE2 LYS 47 -22.615 13.513 0.761 210 HE3 LYS 47 HE3 LYS 47 -21.929 14.581 1.985 211 HZ1 LYS 47 HZ1 LYS 47 -22.109 16.426 0.498 212 HZ2 LYS 47 HZ2 LYS 47 -23.614 15.657 0.562 213 HZ3 LYS 47 HZ3 LYS 47 -22.606 15.431 -0.777 214 H LEU 48 H LEU 48 -15.431 14.979 0.075 215 HA LEU 48 HA LEU 48 -13.996 14.938 2.568 216 HB2 LEU 48 HB2 LEU 48 -13.514 13.621 0.392 217 HB3 LEU 48 HB3 LEU 48 -12.713 15.101 -0.132 218 HG LEU 48 HG LEU 48 -11.902 13.990 2.494 219 HD11 LEU 48 HD11 LEU 48 -10.407 12.370 1.485 220 HD12 LEU 48 HD12 LEU 48 -11.051 12.741 -0.115 221 HD13 LEU 48 HD13 LEU 48 -12.083 11.982 1.096 222 HD21 LEU 48 HD21 LEU 48 -10.579 15.766 2.050 223 HD22 LEU 48 HD22 LEU 48 -10.792 15.630 0.305 224 HD23 LEU 48 HD23 LEU 48 -9.656 14.570 1.140 225 H LEU 49 H LEU 49 -15.149 17.381 0.649 226 HA LEU 49 HA LEU 49 -12.939 19.204 1.294 227 HB2 LEU 49 HB2 LEU 49 -13.479 19.304 -1.002 228 HB3 LEU 49 HB3 LEU 49 -15.209 19.359 -0.668 229 HG LEU 49 HG LEU 49 -14.994 21.628 0.178 230 HD11 LEU 49 HD11 LEU 49 -12.811 22.813 -0.139 231 HD12 LEU 49 HD12 LEU 49 -12.066 21.236 -0.397 232 HD13 LEU 49 HD13 LEU 49 -12.824 21.610 1.151 233 HD21 LEU 49 HD21 LEU 49 -15.500 21.657 -2.081 234 HD22 LEU 49 HD22 LEU 49 -13.933 20.992 -2.546 235 HD23 LEU 49 HD23 LEU 49 -14.055 22.666 -2.004 236 H LEU 50 H LEU 50 -16.368 18.646 1.785 237 HA LEU 50 HA LEU 50 -16.883 21.118 3.111 238 HB2 LEU 50 HB2 LEU 50 -18.376 18.905 2.210 239 HB3 LEU 50 HB3 LEU 50 -18.680 19.048 3.940 240 HG LEU 50 HG LEU 50 -19.201 21.119 1.812 241 HD11 LEU 50 HD11 LEU 50 -21.365 20.453 3.595 242 HD12 LEU 50 HD12 LEU 50 -20.749 19.016 2.782 243 HD13 LEU 50 HD13 LEU 50 -21.299 20.396 1.834 244 HD21 LEU 50 HD21 LEU 50 -20.153 22.435 3.738 245 HD22 LEU 50 HD22 LEU 50 -18.393 22.336 3.678 246 HD23 LEU 50 HD23 LEU 50 -19.294 21.330 4.813 247 H ASN 51 H ASN 51 -15.325 18.251 4.041 248 HA ASN 51 HA ASN 51 -15.812 18.723 6.892 249 HB2 ASN 51 HB2 ASN 51 -14.910 16.394 5.276 250 HB3 ASN 51 HB3 ASN 51 -14.266 16.533 6.909 251 HD21 ASN 51 HD21 ASN 51 -17.356 16.812 5.188 252 HD22 ASN 51 HD22 ASN 51 -18.292 15.989 6.385 253 H GLY 52 H GLY 52 -14.062 20.352 5.033 254 HA2 GLY 52 HA2 GLY 52 -12.010 21.387 5.077 255 HA3 GLY 52 HA3 GLY 52 -12.087 21.104 6.810 256 H PHE 53 H PHE 53 -12.062 18.456 4.549 257 HA PHE 53 HA PHE 53 -9.409 17.703 5.559 258 HB2 PHE 53 HB2 PHE 53 -11.742 16.245 5.450 259 HB3 PHE 53 HB3 PHE 53 -10.879 15.685 4.022 260 HD1 PHE 53 HD1 PHE 53 -8.081 15.866 4.995 261 HD2 PHE 53 HD2 PHE 53 -11.607 14.425 6.895 262 HE1 PHE 53 HE1 PHE 53 -6.713 14.384 6.403 263 HE2 PHE 53 HE2 PHE 53 -10.244 12.942 8.308 264 HZ PHE 53 HZ PHE 53 -7.794 12.920 8.063 265 H ASP 54 H ASP 54 -10.439 19.407 3.113 266 HA ASP 54 HA ASP 54 -9.488 18.095 0.796 267 HB2 ASP 54 HB2 ASP 54 -9.887 20.091 -0.330 268 HB3 ASP 54 HB3 ASP 54 -10.992 20.211 1.035 269 H ASP 55 H ASP 55 -7.881 19.598 3.406 270 HA ASP 55 HA ASP 55 -5.550 20.545 2.185 271 HB2 ASP 55 HB2 ASP 55 -6.107 19.475 4.946 272 HB3 ASP 55 HB3 ASP 55 -4.506 20.043 4.477 273 H VAL 56 H VAL 56 -4.592 19.269 0.685 274 HA VAL 56 HA VAL 56 -4.301 16.479 0.835 275 HB VAL 56 HB VAL 56 -2.615 18.467 -0.693 276 HG11 VAL 56 HG11 VAL 56 -2.434 16.295 -2.183 277 HG12 VAL 56 HG12 VAL 56 -1.327 16.582 -0.839 278 HG13 VAL 56 HG13 VAL 56 -2.701 15.494 -0.635 279 HG21 VAL 56 HG21 VAL 56 -4.507 18.798 -1.835 280 HG22 VAL 56 HG22 VAL 56 -4.271 17.171 -2.472 281 HG23 VAL 56 HG23 VAL 56 -5.309 17.427 -1.070 282 H HIS 57 H HIS 57 -2.574 19.024 2.358 283 HA HIS 57 HA HIS 57 -0.264 17.334 2.935 284 HB2 HIS 57 HB2 HIS 57 0.686 19.354 3.979 285 HB3 HIS 57 HB3 HIS 57 0.180 19.655 2.320 286 HD1 HIS 57 HD1 HIS 57 -0.587 20.573 5.851 287 HD2 HIS 57 HD2 HIS 57 -1.989 21.421 2.033 288 HE1 HIS 57 HE1 HIS 57 -2.112 22.554 6.119 289 H PHE 58 H PHE 58 -3.047 16.937 4.034 290 HA PHE 58 HA PHE 58 -2.275 16.877 6.874 291 HB2 PHE 58 HB2 PHE 58 -4.399 18.345 5.756 292 HB3 PHE 58 HB3 PHE 58 -5.140 16.960 6.551 293 HD1 PHE 58 HD2 PHE 58 -3.755 16.477 8.925 294 HD2 PHE 58 HD1 PHE 58 -4.458 20.229 7.044 295 HE1 PHE 58 HE2 PHE 58 -3.528 17.605 11.099 296 HE2 PHE 58 HE1 PHE 58 -4.231 21.363 9.215 297 HZ PHE 58 HZ PHE 58 -3.766 20.051 11.247 298 H LEU 59 H LEU 59 -2.767 15.045 4.268 299 HA LEU 59 HA LEU 59 -4.539 13.030 5.194 300 HB2 LEU 59 HB2 LEU 59 -2.503 13.221 3.019 301 HB3 LEU 59 HB3 LEU 59 -3.202 11.654 3.424 302 HG LEU 59 HG LEU 59 -4.330 12.674 1.516 303 HD11 LEU 59 HD11 LEU 59 -5.578 11.221 3.067 304 HD12 LEU 59 HD12 LEU 59 -6.603 12.430 2.296 305 HD13 LEU 59 HD13 LEU 59 -6.086 12.650 3.967 306 HD21 LEU 59 HD21 LEU 59 -5.478 14.798 3.263 307 HD22 LEU 59 HD22 LEU 59 -5.290 14.758 1.510 308 HD23 LEU 59 HD23 LEU 59 -3.889 15.050 2.542 309 H GLY 60 H GLY 60 -0.979 13.041 4.890 310 HA2 GLY 60 HA2 GLY 60 -0.641 10.623 6.341 311 HA3 GLY 60 HA3 GLY 60 0.622 11.783 5.957 312 H SER 61 H SER 61 -1.209 13.847 7.348 313 HA SER 61 HA SER 61 -0.013 13.465 9.969 314 HB2 SER 61 HB2 SER 61 -0.711 15.712 8.368 315 HB3 SER 61 HB3 SER 61 -1.638 15.815 9.866 316 HG SER 61 HG SER 61 0.334 16.788 10.210 317 H ASN 62 H ASN 62 -3.261 14.406 8.825 318 HA ASN 62 HA ASN 62 -4.628 14.040 11.194 319 HB2 ASN 62 HB2 ASN 62 -5.428 14.953 8.887 320 HB3 ASN 62 HB3 ASN 62 -5.900 13.284 8.582 321 HD21 ASN 62 HD21 ASN 62 -6.602 16.185 10.271 322 HD22 ASN 62 HD22 ASN 62 -8.073 15.660 11.009 323 H VAL 63 H VAL 63 -5.962 12.340 11.989 324 HA VAL 63 HA VAL 63 -4.777 9.858 12.182 325 HB VAL 63 HB VAL 63 -6.435 10.508 13.786 326 HG11 VAL 63 HG11 VAL 63 -7.816 11.814 12.148 327 HG12 VAL 63 HG12 VAL 63 -8.538 10.285 11.642 328 HG13 VAL 63 HG13 VAL 63 -8.739 10.851 13.301 329 HG21 VAL 63 HG21 VAL 63 -7.834 8.499 13.865 330 HG22 VAL 63 HG22 VAL 63 -7.421 8.145 12.187 331 HG23 VAL 63 HG23 VAL 63 -6.170 8.110 13.431 332 H MET 64 H MET 64 -7.394 10.871 10.009 333 HA MET 64 HA MET 64 -8.353 9.861 8.201 334 HB2 MET 64 HB2 MET 64 -5.861 10.343 7.567 335 HB3 MET 64 HB3 MET 64 -5.703 8.592 7.611 336 HG2 MET 64 HG2 MET 64 -6.146 9.041 5.385 337 HG3 MET 64 HG3 MET 64 -7.717 8.569 6.027 338 HE1 MET 64 HE1 MET 64 -9.507 11.028 6.961 339 HE2 MET 64 HE2 MET 64 -9.987 11.246 5.278 340 HE3 MET 64 HE3 MET 64 -9.626 9.632 5.889 341 H GLU 65 H GLU 65 -8.957 8.431 10.392 342 HA GLU 65 HA GLU 65 -8.286 5.638 9.937 343 HB2 GLU 65 HB2 GLU 65 -9.169 7.212 12.175 344 HB3 GLU 65 HB3 GLU 65 -10.259 5.852 11.943 345 HG2 GLU 65 HG2 GLU 65 -7.987 4.523 11.747 346 HG3 GLU 65 HG3 GLU 65 -7.391 5.883 12.697 347 H GLU 66 H GLU 66 -10.432 4.208 10.507 348 HA GLU 66 HA GLU 66 -11.955 4.240 8.155 349 HB2 GLU 66 HB2 GLU 66 -13.401 2.578 9.321 350 HB3 GLU 66 HB3 GLU 66 -11.686 2.193 9.386 351 HG2 GLU 66 HG2 GLU 66 -11.628 3.211 11.666 352 HG3 GLU 66 HG3 GLU 66 -13.385 3.340 11.585 353 H GLN 67 H GLN 67 -12.743 5.341 11.435 354 HA GLN 67 HA GLN 67 -15.395 6.118 10.871 355 HB2 GLN 67 HB2 GLN 67 -14.494 5.753 13.156 356 HB3 GLN 67 HB3 GLN 67 -13.538 7.220 12.987 357 HG2 GLN 67 HG2 GLN 67 -15.441 7.796 14.250 358 HG3 GLN 67 HG3 GLN 67 -15.690 8.462 12.636 359 HE21 GLN 67 HE21 GLN 67 -17.691 8.257 11.968 360 HE22 GLN 67 HE22 GLN 67 -18.757 6.943 12.312 361 H ASP 68 H ASP 68 -12.336 7.899 10.838 362 HA ASP 68 HA ASP 68 -13.254 10.467 10.431 363 HB2 ASP 68 HB2 ASP 68 -10.771 9.067 10.123 364 HB3 ASP 68 HB3 ASP 68 -11.001 10.137 8.742 365 H LEU 69 H LEU 69 -12.886 7.861 8.084 366 HA LEU 69 HA LEU 69 -13.520 9.473 5.815 367 HB2 LEU 69 HB2 LEU 69 -13.797 6.487 6.007 368 HB3 LEU 69 HB3 LEU 69 -13.511 7.461 4.566 369 HG LEU 69 HG LEU 69 -11.410 7.679 6.599 370 HD11 LEU 69 HD11 LEU 69 -11.247 5.156 5.086 371 HD12 LEU 69 HD12 LEU 69 -12.375 5.177 6.441 372 HD13 LEU 69 HD13 LEU 69 -10.673 5.553 6.706 373 HD21 LEU 69 HD21 LEU 69 -10.095 8.006 4.790 374 HD22 LEU 69 HD22 LEU 69 -11.640 8.345 4.011 375 HD23 LEU 69 HD23 LEU 69 -10.897 6.754 3.842 376 H ARG 70 H ARG 70 -15.352 7.562 8.094 377 HA ARG 70 HA ARG 70 -17.770 7.521 6.571 378 HB2 ARG 70 HB2 ARG 70 -17.184 5.878 8.373 379 HB3 ARG 70 HB3 ARG 70 -17.448 7.156 9.552 380 HG2 ARG 70 HG2 ARG 70 -19.671 6.952 9.455 381 HG3 ARG 70 HG3 ARG 70 -19.675 6.776 7.699 382 HD2 ARG 70 HD2 ARG 70 -18.610 4.425 8.317 383 HD3 ARG 70 HD3 ARG 70 -19.481 4.710 9.823 384 HE ARG 70 HE ARG 70 -20.608 3.966 7.327 385 HH11 ARG 70 HH11 ARG 70 -21.203 5.883 10.171 386 HH12 ARG 70 HH12 ARG 70 -22.928 5.782 10.037 387 HH21 ARG 70 HH21 ARG 70 -22.877 3.826 7.140 388 HH22 ARG 70 HH22 ARG 70 -23.878 4.611 8.313 389 H ASP 71 H ASP 71 -16.476 9.554 9.152 390 HA ASP 71 HA ASP 71 -18.782 11.076 9.642 391 HB2 ASP 71 HB2 ASP 71 -16.668 11.006 11.037 392 HB3 ASP 71 HB3 ASP 71 -15.946 12.090 9.851 393 H ILE 72 H ILE 72 -16.237 11.390 7.238 394 HA ILE 72 HA ILE 72 -17.183 13.935 6.277 395 HB ILE 72 HB ILE 72 -15.526 13.676 4.497 396 HG12 ILE 72 HG12 ILE 72 -14.854 10.998 5.722 397 HG13 ILE 72 HG13 ILE 72 -15.858 11.178 4.288 398 HG21 ILE 72 HG21 ILE 72 -13.838 12.772 6.676 399 HG22 ILE 72 HG22 ILE 72 -13.921 14.348 5.889 400 HG23 ILE 72 HG23 ILE 72 -15.032 13.957 7.202 401 HD11 ILE 72 HD11 ILE 72 -14.066 12.030 3.022 402 HD12 ILE 72 HD12 ILE 72 -13.069 12.268 4.458 403 HD13 ILE 72 HD13 ILE 72 -13.432 10.636 3.899 404 H GLY 73 H GLY 73 -18.072 10.693 5.811 405 HA2 GLY 73 HA2 GLY 73 -20.282 10.615 4.566 406 HA3 GLY 73 HA3 GLY 73 -19.381 11.349 3.248 407 H ILE 74 H ILE 74 -17.005 9.894 3.419 408 HA ILE 74 HA ILE 74 -17.596 7.643 1.889 409 HB ILE 74 HB ILE 74 -15.100 8.081 3.530 410 HG12 ILE 74 HG12 ILE 74 -15.755 8.945 0.705 411 HG13 ILE 74 HG13 ILE 74 -15.586 10.012 2.095 412 HG21 ILE 74 HG21 ILE 74 -14.023 6.658 1.864 413 HG22 ILE 74 HG22 ILE 74 -15.332 5.805 2.681 414 HG23 ILE 74 HG23 ILE 74 -15.571 6.432 1.049 415 HD11 ILE 74 HD11 ILE 74 -13.205 8.792 2.178 416 HD12 ILE 74 HD12 ILE 74 -13.529 8.704 0.446 417 HD13 ILE 74 HD13 ILE 74 -13.514 10.267 1.263 418 H SER 75 H SER 75 -18.987 6.170 2.733 419 HA SER 75 HA SER 75 -18.204 4.882 5.266 420 HB2 SER 75 HB2 SER 75 -20.763 4.090 4.987 421 HB3 SER 75 HB3 SER 75 -20.306 5.576 5.821 422 HG SER 75 HG SER 75 -21.131 6.718 4.247 423 H ASP 76 H ASP 76 -18.270 4.482 1.974 424 HA ASP 76 HA ASP 76 -18.994 1.703 1.864 425 HB2 ASP 76 HB2 ASP 76 -18.213 3.794 -0.038 426 HB3 ASP 76 HB3 ASP 76 -17.591 2.199 -0.448 427 HA PRO 77 HA PRO 77 -15.148 -0.141 2.904 428 HB2 PRO 77 HB2 PRO 77 -15.262 -2.402 1.406 429 HB3 PRO 77 HB3 PRO 77 -16.250 -2.156 2.851 430 HG2 PRO 77 HG2 PRO 77 -16.993 -1.823 -0.030 431 HG3 PRO 77 HG3 PRO 77 -17.919 -2.570 1.286 432 HD2 PRO 77 HD2 PRO 77 -18.400 -0.052 0.411 433 HD3 PRO 77 HD3 PRO 77 -18.636 -0.538 2.103 434 H GLN 78 H GLN 78 -15.876 -0.280 -0.586 435 HA GLN 78 HA GLN 78 -13.128 -0.424 -1.344 436 HB2 GLN 78 HB2 GLN 78 -14.002 -0.039 -3.643 437 HB3 GLN 78 HB3 GLN 78 -14.792 -1.368 -2.805 438 HG2 GLN 78 HG2 GLN 78 -16.268 0.987 -2.268 439 HG3 GLN 78 HG3 GLN 78 -15.954 0.925 -4.002 440 HE21 GLN 78 HE21 GLN 78 -16.893 -0.657 -5.234 441 HE22 GLN 78 HE22 GLN 78 -18.116 -1.721 -4.634 442 H HIS 79 H HIS 79 -15.017 2.085 -0.211 443 HA HIS 79 HA HIS 79 -13.463 4.125 -1.647 444 HB2 HIS 79 HB2 HIS 79 -16.014 4.366 -0.040 445 HB3 HIS 79 HB3 HIS 79 -15.164 5.724 -0.771 446 HD1 HIS 79 HD1 HIS 79 -17.741 5.784 -1.876 447 HD2 HIS 79 HD2 HIS 79 -15.037 2.962 -3.285 448 HE1 HIS 79 HE1 HIS 79 -18.618 5.074 -4.123 449 H ARG 80 H ARG 80 -13.820 2.575 1.373 450 HA ARG 80 HA ARG 80 -12.612 4.740 2.890 451 HB2 ARG 80 HB2 ARG 80 -14.048 2.269 3.502 452 HB3 ARG 80 HB3 ARG 80 -12.648 2.521 4.535 453 HG2 ARG 80 HG2 ARG 80 -13.650 4.932 4.774 454 HG3 ARG 80 HG3 ARG 80 -15.142 4.122 4.295 455 HD2 ARG 80 HD2 ARG 80 -13.377 3.437 6.642 456 HD3 ARG 80 HD3 ARG 80 -14.982 4.162 6.703 457 HE ARG 80 HE ARG 80 -14.871 1.593 5.393 458 HH11 ARG 80 HH11 ARG 80 -15.305 3.295 8.400 459 HH12 ARG 80 HH12 ARG 80 -16.171 2.001 9.157 460 HH21 ARG 80 HH21 ARG 80 -16.012 -0.118 6.381 461 HH22 ARG 80 HH22 ARG 80 -16.573 0.060 8.009 462 H ARG 81 H ARG 81 -11.793 1.468 1.803 463 HA ARG 81 HA ARG 81 -9.192 1.476 2.972 464 HB2 ARG 81 HB2 ARG 81 -10.808 -0.330 1.338 465 HB3 ARG 81 HB3 ARG 81 -9.100 -0.378 0.929 466 HG2 ARG 81 HG2 ARG 81 -9.721 -0.473 3.803 467 HG3 ARG 81 HG3 ARG 81 -10.229 -1.872 2.856 468 HD2 ARG 81 HD2 ARG 81 -7.723 -1.481 1.899 469 HD3 ARG 81 HD3 ARG 81 -7.532 -0.940 3.567 470 HE ARG 81 HE ARG 81 -8.826 -3.316 3.801 471 HH11 ARG 81 HH11 ARG 81 -5.901 -2.291 2.216 472 HH12 ARG 81 HH12 ARG 81 -5.108 -3.821 2.404 473 HH21 ARG 81 HH21 ARG 81 -7.793 -5.335 4.054 474 HH22 ARG 81 HH22 ARG 81 -6.186 -5.551 3.448 475 H LYS 82 H LYS 82 -10.517 2.417 -0.126 476 HA LYS 82 HA LYS 82 -8.031 2.622 -1.498 477 HB2 LYS 82 HB2 LYS 82 -10.561 2.586 -2.345 478 HB3 LYS 82 HB3 LYS 82 -10.335 4.329 -2.297 479 HG2 LYS 82 HG2 LYS 82 -8.597 4.250 -3.886 480 HG3 LYS 82 HG3 LYS 82 -8.437 2.499 -3.734 481 HD2 LYS 82 HD2 LYS 82 -10.992 2.607 -4.489 482 HD3 LYS 82 HD3 LYS 82 -10.432 4.109 -5.229 483 HE2 LYS 82 HE2 LYS 82 -9.662 2.897 -6.926 484 HE3 LYS 82 HE3 LYS 82 -8.468 2.213 -5.824 485 HZ1 LYS 82 HZ1 LYS 82 -10.857 1.020 -6.925 486 HZ2 LYS 82 HZ2 LYS 82 -10.643 0.742 -5.270 487 HZ3 LYS 82 HZ3 LYS 82 -9.438 0.286 -6.367 488 H LEU 83 H LEU 83 -10.048 4.909 0.288 489 HA LEU 83 HA LEU 83 -8.409 7.175 -0.298 490 HB2 LEU 83 HB2 LEU 83 -10.924 6.795 0.732 491 HB3 LEU 83 HB3 LEU 83 -10.007 7.316 2.144 492 HG LEU 83 HG LEU 83 -11.155 9.175 1.010 493 HD11 LEU 83 HD11 LEU 83 -9.502 10.595 1.538 494 HD12 LEU 83 HD12 LEU 83 -8.353 9.829 0.443 495 HD13 LEU 83 HD13 LEU 83 -8.643 9.137 2.038 496 HD21 LEU 83 HD21 LEU 83 -10.188 7.911 -1.318 497 HD22 LEU 83 HD22 LEU 83 -9.402 9.488 -1.224 498 HD23 LEU 83 HD23 LEU 83 -11.163 9.375 -1.198 499 H LEU 84 H LEU 84 -8.239 4.599 1.954 500 HA LEU 84 HA LEU 84 -6.502 6.047 3.786 501 HB2 LEU 84 HB2 LEU 84 -8.111 3.649 3.879 502 HB3 LEU 84 HB3 LEU 84 -6.475 3.341 4.459 503 HG LEU 84 HG LEU 84 -6.704 4.884 6.229 504 HD11 LEU 84 HD11 LEU 84 -7.709 6.751 5.195 505 HD12 LEU 84 HD12 LEU 84 -8.824 6.241 6.462 506 HD13 LEU 84 HD13 LEU 84 -9.159 5.837 4.778 507 HD21 LEU 84 HD21 LEU 84 -9.292 3.371 5.897 508 HD22 LEU 84 HD22 LEU 84 -8.727 4.095 7.403 509 HD23 LEU 84 HD23 LEU 84 -7.814 2.781 6.658 510 H GLN 85 H GLN 85 -6.304 3.839 1.128 511 HA GLN 85 HA GLN 85 -3.597 3.018 1.669 512 HB2 GLN 85 HB2 GLN 85 -5.502 1.800 0.312 513 HB3 GLN 85 HB3 GLN 85 -4.854 2.738 -1.028 514 HG2 GLN 85 HG2 GLN 85 -2.929 1.553 -1.114 515 HG3 GLN 85 HG3 GLN 85 -2.911 1.243 0.622 516 HE21 GLN 85 HE21 GLN 85 -4.280 0.266 -2.445 517 HE22 GLN 85 HE22 GLN 85 -4.766 -1.314 -1.944 518 H ALA 86 H ALA 86 -5.213 5.312 -0.476 519 HA ALA 86 HA ALA 86 -2.796 6.110 -1.795 520 HB1 ALA 86 HB1 ALA 86 -5.152 7.903 -1.820 521 HB2 ALA 86 HB2 ALA 86 -4.118 7.368 -3.144 522 HB3 ALA 86 HB3 ALA 86 -5.359 6.291 -2.505 523 H ALA 87 H ALA 87 -4.328 6.916 1.154 524 HA ALA 87 HA ALA 87 -3.105 9.535 1.379 525 HB1 ALA 87 HB1 ALA 87 -4.805 7.893 3.239 526 HB2 ALA 87 HB2 ALA 87 -4.085 9.432 3.710 527 HB3 ALA 87 HB3 ALA 87 -5.238 9.369 2.377 528 H ARG 88 H ARG 88 -2.668 6.294 2.720 529 HA ARG 88 HA ARG 88 -0.549 7.067 4.483 530 HB2 ARG 88 HB2 ARG 88 -2.100 4.712 3.964 531 HB3 ARG 88 HB3 ARG 88 -0.392 4.292 3.943 532 HG2 ARG 88 HG2 ARG 88 -0.413 4.240 6.152 533 HG3 ARG 88 HG3 ARG 88 -0.775 5.968 6.168 534 HD2 ARG 88 HD2 ARG 88 -2.967 5.640 6.615 535 HD3 ARG 88 HD3 ARG 88 -3.055 4.175 5.638 536 HE ARG 88 HE ARG 88 -2.712 2.964 7.536 537 HH11 ARG 88 HH11 ARG 88 -1.567 6.208 8.072 538 HH12 ARG 88 HH12 ARG 88 -1.205 5.944 9.745 539 HH21 ARG 88 HH21 ARG 88 -2.239 2.604 9.739 540 HH22 ARG 88 HH22 ARG 88 -1.586 3.893 10.692 541 H SER 89 H SER 89 -0.779 6.146 1.165 542 HA SER 89 HA SER 89 1.909 5.267 0.824 543 HB2 SER 89 HB2 SER 89 1.439 5.510 -1.597 544 HB3 SER 89 HB3 SER 89 0.171 4.615 -0.761 545 HG SER 89 HG SER 89 -0.209 6.636 -2.287 546 H LEU 90 H LEU 90 0.594 8.289 1.411 547 HA LEU 90 HA LEU 90 2.427 9.846 -0.172 548 HB2 LEU 90 HB2 LEU 90 0.275 10.394 1.791 549 HB3 LEU 90 HB3 LEU 90 1.516 11.629 1.589 550 HG LEU 90 HG LEU 90 0.650 10.883 -0.998 551 HD11 LEU 90 HD11 LEU 90 -1.604 10.806 -0.998 552 HD12 LEU 90 HD12 LEU 90 -1.752 11.873 0.398 553 HD13 LEU 90 HD13 LEU 90 -1.364 10.168 0.629 554 HD21 LEU 90 HD21 LEU 90 1.271 13.048 -0.928 555 HD22 LEU 90 HD22 LEU 90 0.734 13.261 0.738 556 HD23 LEU 90 HD23 LEU 90 -0.437 13.318 -0.581 557 HA PRO 91 HA PRO 91 5.841 10.160 2.565 558 HB2 PRO 91 HB2 PRO 91 6.542 12.773 2.333 559 HB3 PRO 91 HB3 PRO 91 6.807 11.589 1.048 560 HG2 PRO 91 HG2 PRO 91 4.611 13.602 1.345 561 HG3 PRO 91 HG3 PRO 91 5.533 13.158 -0.103 562 HD2 PRO 91 HD2 PRO 91 3.043 12.214 0.385 563 HD3 PRO 91 HD3 PRO 91 4.270 11.267 -0.481 564 H LYS 92 H LYS 92 6.400 10.669 4.656 565 HA LYS 92 HA LYS 92 4.388 11.374 6.461 566 HB2 LYS 92 HB2 LYS 92 6.227 11.556 8.128 567 HB3 LYS 92 HB3 LYS 92 6.281 10.072 7.185 568 HG2 LYS 92 HG2 LYS 92 7.839 12.141 5.926 569 HG3 LYS 92 HG3 LYS 92 8.348 11.887 7.597 570 HD2 LYS 92 HD2 LYS 92 8.251 9.364 6.953 571 HD3 LYS 92 HD3 LYS 92 8.350 9.972 5.299 572 HE2 LYS 92 HE2 LYS 92 10.375 11.295 6.060 573 HE3 LYS 92 HE3 LYS 92 10.330 10.331 7.536 574 HZ1 LYS 92 HZ1 LYS 92 10.561 8.334 6.195 575 HZ2 LYS 92 HZ2 LYS 92 11.852 9.391 5.920 576 HZ3 LYS 92 HZ3 LYS 92 10.610 9.260 4.780 577 H VAL 93 H VAL 93 4.127 13.225 7.793 578 HA VAL 93 HA VAL 93 4.293 15.685 6.418 579 HB VAL 93 HB VAL 93 2.563 15.270 8.088 580 HG11 VAL 93 HG11 VAL 93 4.677 14.327 9.646 581 HG12 VAL 93 HG12 VAL 93 4.104 15.779 10.469 582 HG13 VAL 93 HG13 VAL 93 2.983 14.465 10.117 583 HG21 VAL 93 HG21 VAL 93 2.629 17.413 9.211 584 HG22 VAL 93 HG22 VAL 93 4.365 17.542 8.925 585 HG23 VAL 93 HG23 VAL 93 3.242 17.585 7.566 586 H LYS 94 H LYS 94 5.581 17.490 6.750 587 HA LYS 94 HA LYS 94 8.291 17.038 7.320 588 HB2 LYS 94 HB2 LYS 94 8.476 19.538 7.269 589 HB3 LYS 94 HB3 LYS 94 7.685 18.839 5.863 590 HG2 LYS 94 HG2 LYS 94 5.769 19.908 6.266 591 HG3 LYS 94 HG3 LYS 94 5.833 19.567 7.996 592 HD2 LYS 94 HD2 LYS 94 6.071 21.847 8.021 593 HD3 LYS 94 HD3 LYS 94 7.765 21.358 7.936 594 HE2 LYS 94 HE2 LYS 94 7.979 22.548 6.075 595 HE3 LYS 94 HE3 LYS 94 6.825 21.475 5.285 596 HZ1 LYS 94 HZ1 LYS 94 6.397 24.122 6.463 597 HZ2 LYS 94 HZ2 LYS 94 5.121 23.013 6.513 598 HZ3 LYS 94 HZ3 LYS 94 5.786 23.470 5.025 599 H ALA 95 H ALA 95 9.602 18.058 8.994 600 HA ALA 95 HA ALA 95 8.239 17.953 11.590 601 HB1 ALA 95 HB1 ALA 95 11.213 17.941 11.155 602 HB2 ALA 95 HB2 ALA 95 10.307 17.398 12.568 603 HB3 ALA 95 HB3 ALA 95 10.238 16.474 11.066 604 H LEU 96 H LEU 96 7.608 19.870 12.333 605 HA LEU 96 HA LEU 96 8.543 22.357 11.470 606 HB2 LEU 96 HB2 LEU 96 6.536 21.430 13.136 607 HB3 LEU 96 HB3 LEU 96 7.560 22.388 14.204 608 HG LEU 96 HG LEU 96 7.105 23.894 11.837 609 HD11 LEU 96 HD11 LEU 96 4.836 23.931 11.512 610 HD12 LEU 96 HD12 LEU 96 4.485 23.268 13.108 611 HD13 LEU 96 HD13 LEU 96 5.096 22.216 11.832 612 HD21 LEU 96 HD21 LEU 96 6.007 24.226 14.627 613 HD22 LEU 96 HD22 LEU 96 6.153 25.483 13.398 614 HD23 LEU 96 HD23 LEU 96 7.603 24.753 14.089 615 H GLY 97 H GLY 97 10.173 23.666 12.080 616 HA2 GLY 97 HA2 GLY 97 12.352 22.617 13.545 617 HA3 GLY 97 HA3 GLY 97 12.170 24.287 13.027 618 H TYR 98 H TYR 98 13.210 24.786 15.082 619 HA TYR 98 HA TYR 98 11.276 25.464 17.072 620 HB2 TYR 98 HB2 TYR 98 12.361 24.222 18.935 621 HB3 TYR 98 HB3 TYR 98 11.585 23.166 17.758 622 HD1 TYR 98 HD1 TYR 98 13.016 21.959 16.078 623 HD2 TYR 98 HD2 TYR 98 14.673 24.045 19.396 624 HE1 TYR 98 HE1 TYR 98 15.118 20.711 15.806 625 HE2 TYR 98 HE2 TYR 98 16.780 22.804 19.131 626 HH TYR 98 HH TYR 98 17.104 20.059 17.505 627 H ASP 99 H ASP 99 13.188 26.816 15.418 628 HA ASP 99 HA ASP 99 14.755 28.464 15.510 629 HB2 ASP 99 HB2 ASP 99 13.079 29.293 17.206 630 HB3 ASP 99 HB3 ASP 99 14.106 28.597 18.457 631 H GLY 100 H GLY 100 16.363 26.769 15.099 632 HA2 GLY 100 HA2 GLY 100 18.615 27.026 16.748 633 HA3 GLY 100 HA3 GLY 100 17.828 25.506 17.143 634 H ASN 101 H ASN 101 20.265 25.172 16.291 635 HA ASN 101 HA ASN 101 20.293 24.840 13.396 636 HB2 ASN 101 HB2 ASN 101 22.613 24.568 13.555 637 HB3 ASN 101 HB3 ASN 101 22.257 25.733 14.827 638 HD21 ASN 101 HD21 ASN 101 22.824 25.274 16.854 639 HD22 ASN 101 HD22 ASN 101 23.470 23.761 17.384 Start of MODEL 6 1 H MET 21 H MET 21 11.466 -0.913 4.324 2 HA MET 21 HA MET 21 10.076 -2.498 2.691 3 HB2 MET 21 HB2 MET 21 8.354 -1.936 5.107 4 HB3 MET 21 HB3 MET 21 7.718 -2.486 3.564 5 HG2 MET 21 HG2 MET 21 7.915 -4.506 4.519 6 HG3 MET 21 HG3 MET 21 9.584 -4.364 3.973 7 HE1 MET 21 HE1 MET 21 8.916 -6.344 6.937 8 HE2 MET 21 HE2 MET 21 9.827 -6.255 5.430 9 HE3 MET 21 HE3 MET 21 10.649 -6.018 6.972 10 H ILE 22 H ILE 22 10.146 -0.982 1.151 11 HA ILE 22 HA ILE 22 8.834 1.601 1.696 12 HB ILE 22 HB ILE 22 10.251 2.484 -0.196 13 HG12 ILE 22 HG12 ILE 22 12.216 0.316 0.278 14 HG13 ILE 22 HG13 ILE 22 10.825 -0.104 -0.714 15 HG21 ILE 22 HG21 ILE 22 10.696 2.813 2.255 16 HG22 ILE 22 HG22 ILE 22 11.851 1.486 2.149 17 HG23 ILE 22 HG23 ILE 22 12.108 2.956 1.209 18 HD11 ILE 22 HD11 ILE 22 12.989 0.790 -1.822 19 HD12 ILE 22 HD12 ILE 22 11.417 1.351 -2.392 20 HD13 ILE 22 HD13 ILE 22 12.380 2.366 -1.318 21 H SER 23 H SER 23 8.077 2.675 -0.410 22 HA SER 23 HA SER 23 6.818 0.647 -2.138 23 HB2 SER 23 HB2 SER 23 5.320 3.134 -1.981 24 HB3 SER 23 HB3 SER 23 4.773 1.478 -1.718 25 HG SER 23 HG SER 23 5.505 3.398 0.099 26 H GLY 24 H GLY 24 7.833 4.047 -1.918 27 HA2 GLY 24 HA2 GLY 24 9.276 5.008 -3.580 28 HA3 GLY 24 HA3 GLY 24 8.586 3.903 -4.759 29 H LEU 25 H LEU 25 7.466 4.977 -6.232 30 HA LEU 25 HA LEU 25 6.064 6.465 -7.227 31 HB2 LEU 25 HB2 LEU 25 4.722 6.889 -4.586 32 HB3 LEU 25 HB3 LEU 25 4.015 6.879 -6.201 33 HG LEU 25 HG LEU 25 5.075 4.421 -4.815 34 HD11 LEU 25 HD11 LEU 25 2.171 5.027 -5.161 35 HD12 LEU 25 HD12 LEU 25 3.046 5.663 -3.770 36 HD13 LEU 25 HD13 LEU 25 2.963 3.922 -4.037 37 HD21 LEU 25 HD21 LEU 25 5.060 4.069 -7.144 38 HD22 LEU 25 HD22 LEU 25 3.520 4.908 -7.343 39 HD23 LEU 25 HD23 LEU 25 3.572 3.334 -6.546 40 H ARG 26 H ARG 26 4.984 8.787 -6.775 41 HA ARG 26 HA ARG 26 6.610 10.508 -5.131 42 HB2 ARG 26 HB2 ARG 26 7.372 11.921 -7.026 43 HB3 ARG 26 HB3 ARG 26 8.093 10.318 -7.025 44 HG2 ARG 26 HG2 ARG 26 5.740 10.166 -8.575 45 HG3 ARG 26 HG3 ARG 26 6.612 11.615 -9.079 46 HD2 ARG 26 HD2 ARG 26 8.684 10.067 -9.103 47 HD3 ARG 26 HD3 ARG 26 7.505 8.756 -9.125 48 HE ARG 26 HE ARG 26 7.042 10.757 -11.134 49 HH11 ARG 26 HH11 ARG 26 8.770 7.838 -10.347 50 HH12 ARG 26 HH12 ARG 26 8.977 7.359 -11.998 51 HH21 ARG 26 HH21 ARG 26 7.310 10.137 -13.314 52 HH22 ARG 26 HH22 ARG 26 8.147 8.668 -13.685 53 H THR 27 H THR 27 6.039 12.939 -5.970 54 HA THR 27 HA THR 27 3.096 12.996 -6.070 55 HB THR 27 HB THR 27 3.277 15.252 -5.030 56 HG1 THR 27 HG1 THR 27 5.279 15.911 -4.232 57 HG21 THR 27 HG21 THR 27 3.104 14.300 -3.008 58 HG22 THR 27 HG22 THR 27 4.755 13.681 -3.068 59 HG23 THR 27 HG23 THR 27 3.446 12.776 -3.829 60 H LEU 28 H LEU 28 2.414 15.380 -6.831 61 HA LEU 28 HA LEU 28 3.985 16.489 -8.946 62 HB2 LEU 28 HB2 LEU 28 2.403 15.980 -10.763 63 HB3 LEU 28 HB3 LEU 28 3.219 14.549 -10.137 64 HG LEU 28 HG LEU 28 0.794 14.774 -8.719 65 HD11 LEU 28 HD11 LEU 28 0.343 14.970 -11.691 66 HD12 LEU 28 HD12 LEU 28 0.086 16.295 -10.557 67 HD13 LEU 28 HD13 LEU 28 -0.880 14.825 -10.428 68 HD21 LEU 28 HD21 LEU 28 2.061 12.937 -10.673 69 HD22 LEU 28 HD22 LEU 28 0.335 12.739 -10.367 70 HD23 LEU 28 HD23 LEU 28 1.485 12.630 -9.034 71 H GLU 29 H GLU 29 2.528 17.297 -6.531 72 HA GLU 29 HA GLU 29 1.242 19.021 -5.787 73 HB2 GLU 29 HB2 GLU 29 2.622 19.974 -7.966 74 HB3 GLU 29 HB3 GLU 29 0.958 20.372 -8.373 75 HG2 GLU 29 HG2 GLU 29 0.697 21.706 -6.452 76 HG3 GLU 29 HG3 GLU 29 2.175 21.078 -5.723 77 H GLN 30 H GLN 30 -0.094 16.685 -6.699 78 HA GLN 30 HA GLN 30 -2.358 17.390 -8.288 79 HB2 GLN 30 HB2 GLN 30 -3.199 15.185 -7.748 80 HB3 GLN 30 HB3 GLN 30 -1.484 15.079 -8.127 81 HG2 GLN 30 HG2 GLN 30 -1.061 15.153 -5.639 82 HG3 GLN 30 HG3 GLN 30 -2.797 14.928 -5.432 83 HE21 GLN 30 HE21 GLN 30 -0.768 13.165 -4.528 84 HE22 GLN 30 HE22 GLN 30 -0.977 11.660 -5.349 85 H SER 31 H SER 31 -4.459 17.810 -7.664 86 HA SER 31 HA SER 31 -4.749 18.808 -4.932 87 HB2 SER 31 HB2 SER 31 -5.700 19.659 -7.500 88 HB3 SER 31 HB3 SER 31 -7.085 19.340 -6.456 89 HG SER 31 HG SER 31 -6.285 21.491 -6.257 90 H VAL 32 H VAL 32 -7.232 18.639 -4.231 91 HA VAL 32 HA VAL 32 -7.664 16.001 -3.454 92 HB VAL 32 HB VAL 32 -9.689 18.235 -3.662 93 HG11 VAL 32 HG11 VAL 32 -9.795 15.645 -2.117 94 HG12 VAL 32 HG12 VAL 32 -10.967 16.960 -1.996 95 HG13 VAL 32 HG13 VAL 32 -10.788 16.072 -3.511 96 HG21 VAL 32 HG21 VAL 32 -7.571 18.521 -2.231 97 HG22 VAL 32 HG22 VAL 32 -9.134 18.838 -1.477 98 HG23 VAL 32 HG23 VAL 32 -8.299 17.315 -1.169 99 H GLY 33 H GLY 33 -9.405 17.871 -5.949 100 HA2 GLY 33 HA2 GLY 33 -11.100 15.857 -6.838 101 HA3 GLY 33 HA3 GLY 33 -10.525 17.188 -7.833 102 H GLU 34 H GLU 34 -8.092 16.846 -8.486 103 HA GLU 34 HA GLU 34 -7.980 14.773 -10.305 104 HB2 GLU 34 HB2 GLU 34 -6.495 16.640 -10.527 105 HB3 GLU 34 HB3 GLU 34 -5.749 16.304 -8.971 106 HG2 GLU 34 HG2 GLU 34 -4.295 15.638 -10.788 107 HG3 GLU 34 HG3 GLU 34 -4.813 14.234 -9.855 108 H TRP 35 H TRP 35 -6.505 14.904 -7.072 109 HA TRP 35 HA TRP 35 -5.225 12.461 -7.049 110 HB2 TRP 35 HB2 TRP 35 -4.919 13.996 -5.228 111 HB3 TRP 35 HB3 TRP 35 -6.628 13.924 -4.808 112 HD1 TRP 35 HD1 TRP 35 -4.424 10.828 -5.463 113 HE1 TRP 35 HE1 TRP 35 -4.349 9.423 -3.307 114 HE3 TRP 35 HE3 TRP 35 -6.954 13.992 -2.345 115 HZ2 TRP 35 HZ2 TRP 35 -5.244 9.630 -0.639 116 HZ3 TRP 35 HZ3 TRP 35 -7.303 13.313 -0.006 117 HH2 TRP 35 HH2 TRP 35 -6.465 11.177 0.828 118 H LEU 36 H LEU 36 -8.538 13.113 -5.896 119 HA LEU 36 HA LEU 36 -9.181 10.404 -5.432 120 HB2 LEU 36 HB2 LEU 36 -11.019 12.723 -6.002 121 HB3 LEU 36 HB3 LEU 36 -11.501 11.173 -5.316 122 HG LEU 36 HG LEU 36 -9.477 12.870 -3.910 123 HD11 LEU 36 HD11 LEU 36 -11.378 14.342 -4.406 124 HD12 LEU 36 HD12 LEU 36 -11.247 13.983 -2.686 125 HD13 LEU 36 HD13 LEU 36 -12.466 13.169 -3.664 126 HD21 LEU 36 HD21 LEU 36 -11.190 11.677 -2.107 127 HD22 LEU 36 HD22 LEU 36 -9.593 11.090 -2.573 128 HD23 LEU 36 HD23 LEU 36 -11.031 10.473 -3.386 129 H GLU 37 H GLU 37 -9.285 12.413 -8.273 130 HA GLU 37 HA GLU 37 -11.033 10.810 -9.821 131 HB2 GLU 37 HB2 GLU 37 -9.459 13.181 -10.189 132 HB3 GLU 37 HB3 GLU 37 -9.202 12.096 -11.549 133 HG2 GLU 37 HG2 GLU 37 -11.990 12.205 -10.933 134 HG3 GLU 37 HG3 GLU 37 -11.356 13.841 -11.104 135 H SER 38 H SER 38 -7.643 10.626 -9.076 136 HA SER 38 HA SER 38 -6.924 8.864 -11.200 137 HB2 SER 38 HB2 SER 38 -5.369 10.346 -9.782 138 HB3 SER 38 HB3 SER 38 -5.468 9.070 -8.569 139 HG SER 38 HG SER 38 -4.727 7.618 -10.236 140 H ILE 39 H ILE 39 -8.449 8.458 -8.145 141 HA ILE 39 HA ILE 39 -8.018 5.553 -8.232 142 HB ILE 39 HB ILE 39 -8.811 5.489 -5.931 143 HG12 ILE 39 HG12 ILE 39 -9.003 8.503 -6.097 144 HG13 ILE 39 HG13 ILE 39 -10.389 7.420 -6.158 145 HG21 ILE 39 HG21 ILE 39 -6.898 7.701 -5.690 146 HG22 ILE 39 HG22 ILE 39 -6.802 6.045 -5.094 147 HG23 ILE 39 HG23 ILE 39 -6.401 6.402 -6.774 148 HD11 ILE 39 HD11 ILE 39 -9.911 8.477 -3.933 149 HD12 ILE 39 HD12 ILE 39 -10.048 6.719 -3.929 150 HD13 ILE 39 HD13 ILE 39 -8.459 7.480 -3.859 151 H GLY 40 H GLY 40 -10.362 8.001 -8.750 152 HA2 GLY 40 HA2 GLY 40 -12.394 7.597 -9.897 153 HA3 GLY 40 HA3 GLY 40 -12.359 5.936 -9.324 154 H LEU 41 H LEU 41 -11.734 8.487 -7.075 155 HA LEU 41 HA LEU 41 -14.414 8.081 -5.922 156 HB2 LEU 41 HB2 LEU 41 -12.168 7.333 -4.733 157 HB3 LEU 41 HB3 LEU 41 -12.145 9.027 -4.250 158 HG LEU 41 HG LEU 41 -14.373 8.716 -3.210 159 HD11 LEU 41 HD11 LEU 41 -15.578 6.842 -3.385 160 HD12 LEU 41 HD12 LEU 41 -14.171 5.803 -3.155 161 HD13 LEU 41 HD13 LEU 41 -14.528 6.464 -4.751 162 HD21 LEU 41 HD21 LEU 41 -12.727 6.601 -1.968 163 HD22 LEU 41 HD22 LEU 41 -13.457 8.041 -1.256 164 HD23 LEU 41 HD23 LEU 41 -11.959 8.175 -2.178 165 H GLN 42 H GLN 42 -13.038 10.181 -7.782 166 HA GLN 42 HA GLN 42 -12.925 12.644 -6.509 167 HB2 GLN 42 HB2 GLN 42 -12.385 11.956 -8.968 168 HB3 GLN 42 HB3 GLN 42 -14.060 12.394 -9.272 169 HG2 GLN 42 HG2 GLN 42 -12.858 14.478 -7.766 170 HG3 GLN 42 HG3 GLN 42 -11.794 14.077 -9.113 171 HE21 GLN 42 HE21 GLN 42 -15.322 14.029 -8.824 172 HE22 GLN 42 HE22 GLN 42 -15.618 15.128 -10.123 173 H GLN 43 H GLN 43 -15.655 10.693 -7.299 174 HA GLN 43 HA GLN 43 -17.650 12.684 -7.374 175 HB2 GLN 43 HB2 GLN 43 -19.230 10.858 -6.978 176 HB3 GLN 43 HB3 GLN 43 -18.033 10.407 -8.186 177 HG2 GLN 43 HG2 GLN 43 -16.939 9.565 -5.781 178 HG3 GLN 43 HG3 GLN 43 -18.653 9.180 -5.649 179 HE21 GLN 43 HE21 GLN 43 -16.288 7.447 -5.939 180 HE22 GLN 43 HE22 GLN 43 -16.595 6.473 -7.331 181 H TYR 44 H TYR 44 -16.114 10.958 -4.738 182 HA TYR 44 HA TYR 44 -17.939 12.060 -2.771 183 HB2 TYR 44 HB2 TYR 44 -16.093 9.864 -2.877 184 HB3 TYR 44 HB3 TYR 44 -15.708 10.880 -1.493 185 HD1 TYR 44 HD2 TYR 44 -18.286 11.803 -0.560 186 HD2 TYR 44 HD1 TYR 44 -17.196 7.987 -2.094 187 HE1 TYR 44 HE2 TYR 44 -20.124 10.775 0.710 188 HE2 TYR 44 HE1 TYR 44 -19.032 6.948 -0.829 189 HH TYR 44 HH TYR 44 -21.554 8.428 0.302 190 H GLU 45 H GLU 45 -15.610 13.424 -4.483 191 HA GLU 45 HA GLU 45 -13.758 14.542 -2.761 192 HB2 GLU 45 HB2 GLU 45 -13.523 14.853 -5.122 193 HB3 GLU 45 HB3 GLU 45 -15.067 15.686 -5.227 194 HG2 GLU 45 HG2 GLU 45 -14.189 17.568 -4.010 195 HG3 GLU 45 HG3 GLU 45 -12.664 16.724 -3.742 196 H SER 46 H SER 46 -17.037 15.644 -3.514 197 HA SER 46 HA SER 46 -17.067 18.072 -2.209 198 HB2 SER 46 HB2 SER 46 -19.558 17.410 -1.724 199 HB3 SER 46 HB3 SER 46 -19.018 17.621 -3.391 200 HG SER 46 HG SER 46 -19.584 15.635 -3.704 201 H LYS 47 H LYS 47 -17.447 14.838 -0.851 202 HA LYS 47 HA LYS 47 -18.109 15.671 1.775 203 HB2 LYS 47 HB2 LYS 47 -17.233 13.130 0.494 204 HB3 LYS 47 HB3 LYS 47 -17.069 13.257 2.240 205 HG2 LYS 47 HG2 LYS 47 -19.166 12.216 1.700 206 HG3 LYS 47 HG3 LYS 47 -19.465 13.811 2.397 207 HD2 LYS 47 HD2 LYS 47 -19.229 13.650 -0.552 208 HD3 LYS 47 HD3 LYS 47 -20.676 12.951 0.175 209 HE2 LYS 47 HE2 LYS 47 -20.348 15.390 1.468 210 HE3 LYS 47 HE3 LYS 47 -19.954 15.727 -0.217 211 HZ1 LYS 47 HZ1 LYS 47 -22.449 15.642 0.810 212 HZ2 LYS 47 HZ2 LYS 47 -22.306 14.103 0.121 213 HZ3 LYS 47 HZ3 LYS 47 -22.071 15.481 -0.832 214 H LEU 48 H LEU 48 -15.060 14.982 0.147 215 HA LEU 48 HA LEU 48 -13.498 15.286 2.548 216 HB2 LEU 48 HB2 LEU 48 -13.049 13.990 0.248 217 HB3 LEU 48 HB3 LEU 48 -12.220 15.502 -0.112 218 HG LEU 48 HG LEU 48 -11.527 14.310 2.482 219 HD11 LEU 48 HD11 LEU 48 -11.793 12.275 1.157 220 HD12 LEU 48 HD12 LEU 48 -10.097 12.586 1.527 221 HD13 LEU 48 HD13 LEU 48 -10.729 12.939 -0.082 222 HD21 LEU 48 HD21 LEU 48 -9.286 14.933 1.763 223 HD22 LEU 48 HD22 LEU 48 -10.408 16.276 1.543 224 HD23 LEU 48 HD23 LEU 48 -9.896 15.319 0.153 225 H LEU 49 H LEU 49 -15.054 17.427 0.560 226 HA LEU 49 HA LEU 49 -13.058 19.547 0.952 227 HB2 LEU 49 HB2 LEU 49 -13.757 19.328 -1.327 228 HB3 LEU 49 HB3 LEU 49 -15.456 19.358 -0.860 229 HG LEU 49 HG LEU 49 -15.326 21.689 -0.310 230 HD11 LEU 49 HD11 LEU 49 -13.165 22.921 -0.766 231 HD12 LEU 49 HD12 LEU 49 -12.376 21.344 -0.764 232 HD13 LEU 49 HD13 LEU 49 -13.203 21.919 0.684 233 HD21 LEU 49 HD21 LEU 49 -14.433 22.579 -2.560 234 HD22 LEU 49 HD22 LEU 49 -15.797 21.461 -2.575 235 HD23 LEU 49 HD23 LEU 49 -14.174 20.880 -2.954 236 H LEU 50 H LEU 50 -16.453 18.735 1.496 237 HA LEU 50 HA LEU 50 -17.123 21.187 2.772 238 HB2 LEU 50 HB2 LEU 50 -18.471 18.878 1.926 239 HB3 LEU 50 HB3 LEU 50 -18.749 18.990 3.663 240 HG LEU 50 HG LEU 50 -19.462 21.031 1.563 241 HD11 LEU 50 HD11 LEU 50 -21.223 19.543 3.497 242 HD12 LEU 50 HD12 LEU 50 -20.929 19.024 1.839 243 HD13 LEU 50 HD13 LEU 50 -21.721 20.567 2.152 244 HD21 LEU 50 HD21 LEU 50 -18.961 22.466 3.254 245 HD22 LEU 50 HD22 LEU 50 -19.189 21.248 4.508 246 HD23 LEU 50 HD23 LEU 50 -20.590 22.015 3.759 247 H ASN 51 H ASN 51 -15.536 18.315 3.806 248 HA ASN 51 HA ASN 51 -15.960 18.923 6.631 249 HB2 ASN 51 HB2 ASN 51 -14.984 16.564 5.099 250 HB3 ASN 51 HB3 ASN 51 -14.362 16.784 6.732 251 HD21 ASN 51 HD21 ASN 51 -17.368 16.658 4.881 252 HD22 ASN 51 HD22 ASN 51 -18.317 15.945 6.136 253 H GLY 52 H GLY 52 -14.297 20.561 4.729 254 HA2 GLY 52 HA2 GLY 52 -12.280 21.664 4.716 255 HA3 GLY 52 HA3 GLY 52 -12.316 21.408 6.455 256 H PHE 53 H PHE 53 -12.237 18.733 4.223 257 HA PHE 53 HA PHE 53 -9.590 18.023 5.257 258 HB2 PHE 53 HB2 PHE 53 -11.891 16.526 4.944 259 HB3 PHE 53 HB3 PHE 53 -10.918 16.047 3.557 260 HD1 PHE 53 HD1 PHE 53 -8.366 15.576 4.167 261 HD2 PHE 53 HD2 PHE 53 -11.639 15.326 6.876 262 HE1 PHE 53 HE1 PHE 53 -7.058 14.065 5.602 263 HE2 PHE 53 HE2 PHE 53 -10.336 13.815 8.317 264 HZ PHE 53 HZ PHE 53 -8.042 13.184 7.681 265 H ASP 54 H ASP 54 -10.673 19.742 2.778 266 HA ASP 54 HA ASP 54 -9.617 18.633 0.452 267 HB2 ASP 54 HB2 ASP 54 -9.983 20.682 -0.529 268 HB3 ASP 54 HB3 ASP 54 -11.002 20.841 0.899 269 H ASP 55 H ASP 55 -8.024 19.976 3.187 270 HA ASP 55 HA ASP 55 -5.586 20.734 1.969 271 HB2 ASP 55 HB2 ASP 55 -6.384 20.043 4.784 272 HB3 ASP 55 HB3 ASP 55 -4.698 20.352 4.375 273 H VAL 56 H VAL 56 -4.693 19.230 0.642 274 HA VAL 56 HA VAL 56 -4.592 16.465 1.111 275 HB VAL 56 HB VAL 56 -2.667 18.107 -0.540 276 HG11 VAL 56 HG11 VAL 56 -2.872 15.741 -1.805 277 HG12 VAL 56 HG12 VAL 56 -1.627 16.104 -0.608 278 HG13 VAL 56 HG13 VAL 56 -3.077 15.216 -0.134 279 HG21 VAL 56 HG21 VAL 56 -4.459 16.883 -2.247 280 HG22 VAL 56 HG22 VAL 56 -5.471 17.441 -0.915 281 HG23 VAL 56 HG23 VAL 56 -4.454 18.586 -1.789 282 H HIS 57 H HIS 57 -2.816 19.025 2.496 283 HA HIS 57 HA HIS 57 -0.575 17.326 3.268 284 HB2 HIS 57 HB2 HIS 57 0.471 19.311 4.091 285 HB3 HIS 57 HB3 HIS 57 -0.251 19.717 2.537 286 HD1 HIS 57 HD1 HIS 57 -0.039 20.880 5.934 287 HD2 HIS 57 HD2 HIS 57 -2.881 21.066 2.908 288 HE1 HIS 57 HE1 HIS 57 -1.596 22.743 6.588 289 H PHE 58 H PHE 58 -3.494 17.209 4.268 290 HA PHE 58 HA PHE 58 -2.886 17.362 7.146 291 HB2 PHE 58 HB2 PHE 58 -5.124 18.295 5.631 292 HB3 PHE 58 HB3 PHE 58 -5.678 17.034 6.727 293 HD1 PHE 58 HD1 PHE 58 -3.656 20.155 6.672 294 HD2 PHE 58 HD2 PHE 58 -6.162 17.556 8.924 295 HE1 PHE 58 HE1 PHE 58 -3.667 21.775 8.523 296 HE2 PHE 58 HE2 PHE 58 -6.178 19.171 10.779 297 HZ PHE 58 HZ PHE 58 -4.930 21.285 10.579 298 H LEU 59 H LEU 59 -3.881 15.319 4.536 299 HA LEU 59 HA LEU 59 -5.091 13.201 5.821 300 HB2 LEU 59 HB2 LEU 59 -3.098 13.005 3.570 301 HB3 LEU 59 HB3 LEU 59 -4.311 11.802 3.999 302 HG LEU 59 HG LEU 59 -5.310 14.503 3.320 303 HD11 LEU 59 HD11 LEU 59 -5.107 14.190 0.955 304 HD12 LEU 59 HD12 LEU 59 -4.329 12.624 1.179 305 HD13 LEU 59 HD13 LEU 59 -3.497 14.100 1.668 306 HD21 LEU 59 HD21 LEU 59 -7.019 13.018 3.735 307 HD22 LEU 59 HD22 LEU 59 -6.153 11.655 3.024 308 HD23 LEU 59 HD23 LEU 59 -6.867 12.888 1.982 309 H GLY 60 H GLY 60 -1.601 13.637 5.232 310 HA2 GLY 60 HA2 GLY 60 -0.965 11.364 6.912 311 HA3 GLY 60 HA3 GLY 60 0.182 12.396 6.071 312 H SER 61 H SER 61 -2.307 12.923 8.571 313 HA SER 61 HA SER 61 -0.325 13.656 10.523 314 HB2 SER 61 HB2 SER 61 -0.703 15.706 8.984 315 HB3 SER 61 HB3 SER 61 -2.267 15.835 9.788 316 HG SER 61 HG SER 61 -0.017 15.541 11.403 317 H ASN 62 H ASN 62 -3.726 14.552 9.929 318 HA ASN 62 HA ASN 62 -4.561 14.111 12.570 319 HB2 ASN 62 HB2 ASN 62 -6.714 14.582 11.826 320 HB3 ASN 62 HB3 ASN 62 -5.724 15.380 10.608 321 HD21 ASN 62 HD21 ASN 62 -4.938 13.266 9.065 322 HD22 ASN 62 HD22 ASN 62 -6.315 12.565 8.292 323 H VAL 63 H VAL 63 -6.689 12.528 12.705 324 HA VAL 63 HA VAL 63 -5.717 9.985 13.134 325 HB VAL 63 HB VAL 63 -7.788 10.609 14.138 326 HG11 VAL 63 HG11 VAL 63 -9.791 11.125 12.939 327 HG12 VAL 63 HG12 VAL 63 -8.496 12.130 12.286 328 HG13 VAL 63 HG13 VAL 63 -9.041 10.706 11.399 329 HG21 VAL 63 HG21 VAL 63 -8.911 8.618 12.283 330 HG22 VAL 63 HG22 VAL 63 -7.371 8.185 13.025 331 HG23 VAL 63 HG23 VAL 63 -8.760 8.575 14.039 332 H MET 64 H MET 64 -7.480 11.184 10.289 333 HA MET 64 HA MET 64 -7.885 10.220 8.250 334 HB2 MET 64 HB2 MET 64 -5.189 10.695 8.617 335 HB3 MET 64 HB3 MET 64 -5.222 9.039 8.024 336 HG2 MET 64 HG2 MET 64 -6.381 11.468 6.682 337 HG3 MET 64 HG3 MET 64 -4.971 10.540 6.177 338 HE1 MET 64 HE1 MET 64 -8.815 10.914 6.024 339 HE2 MET 64 HE2 MET 64 -7.819 11.424 4.660 340 HE3 MET 64 HE3 MET 64 -8.958 10.090 4.470 341 H GLU 65 H GLU 65 -8.904 8.569 10.130 342 HA GLU 65 HA GLU 65 -8.114 5.885 9.203 343 HB2 GLU 65 HB2 GLU 65 -7.939 6.703 11.757 344 HB3 GLU 65 HB3 GLU 65 -9.610 6.156 11.750 345 HG2 GLU 65 HG2 GLU 65 -8.994 4.034 11.847 346 HG3 GLU 65 HG3 GLU 65 -7.903 4.223 10.475 347 H GLU 66 H GLU 66 -10.132 4.338 9.907 348 HA GLU 66 HA GLU 66 -12.074 4.670 7.997 349 HB2 GLU 66 HB2 GLU 66 -11.865 2.544 9.024 350 HB3 GLU 66 HB3 GLU 66 -12.144 3.206 10.629 351 HG2 GLU 66 HG2 GLU 66 -14.358 3.051 10.436 352 HG3 GLU 66 HG3 GLU 66 -14.354 3.667 8.784 353 H GLN 67 H GLN 67 -12.555 5.297 11.479 354 HA GLN 67 HA GLN 67 -15.062 6.421 11.358 355 HB2 GLN 67 HB2 GLN 67 -13.575 5.891 13.400 356 HB3 GLN 67 HB3 GLN 67 -12.954 7.524 13.194 357 HG2 GLN 67 HG2 GLN 67 -14.790 8.461 14.050 358 HG3 GLN 67 HG3 GLN 67 -15.869 7.359 13.198 359 HE21 GLN 67 HE21 GLN 67 -16.457 5.420 14.167 360 HE22 GLN 67 HE22 GLN 67 -16.230 5.128 15.855 361 H ASP 68 H ASP 68 -11.991 7.846 10.516 362 HA ASP 68 HA ASP 68 -12.862 10.549 10.445 363 HB2 ASP 68 HB2 ASP 68 -10.453 9.640 10.508 364 HB3 ASP 68 HB3 ASP 68 -10.623 9.440 8.765 365 H LEU 69 H LEU 69 -12.476 8.068 7.931 366 HA LEU 69 HA LEU 69 -13.394 9.721 5.811 367 HB2 LEU 69 HB2 LEU 69 -13.590 6.735 5.792 368 HB3 LEU 69 HB3 LEU 69 -13.259 7.833 4.453 369 HG LEU 69 HG LEU 69 -11.389 6.884 6.604 370 HD11 LEU 69 HD11 LEU 69 -11.785 6.421 3.747 371 HD12 LEU 69 HD12 LEU 69 -10.960 5.437 4.956 372 HD13 LEU 69 HD13 LEU 69 -10.117 6.785 4.191 373 HD21 LEU 69 HD21 LEU 69 -9.770 8.482 5.339 374 HD22 LEU 69 HD22 LEU 69 -10.803 9.115 6.621 375 HD23 LEU 69 HD23 LEU 69 -11.247 9.355 4.931 376 H ARG 70 H ARG 70 -14.970 7.678 8.150 377 HA ARG 70 HA ARG 70 -17.477 7.526 6.782 378 HB2 ARG 70 HB2 ARG 70 -16.749 5.859 8.467 379 HB3 ARG 70 HB3 ARG 70 -16.870 7.096 9.712 380 HG2 ARG 70 HG2 ARG 70 -19.108 6.945 9.829 381 HG3 ARG 70 HG3 ARG 70 -19.289 6.706 8.090 382 HD2 ARG 70 HD2 ARG 70 -18.066 4.394 8.814 383 HD3 ARG 70 HD3 ARG 70 -19.018 4.739 10.258 384 HE ARG 70 HE ARG 70 -20.000 3.893 7.707 385 HH11 ARG 70 HH11 ARG 70 -20.779 5.696 10.582 386 HH12 ARG 70 HH12 ARG 70 -22.489 5.481 10.411 387 HH21 ARG 70 HH21 ARG 70 -22.251 3.601 7.472 388 HH22 ARG 70 HH22 ARG 70 -23.325 4.288 8.643 389 H ASP 71 H ASP 71 -16.088 9.620 9.247 390 HA ASP 71 HA ASP 71 -18.453 10.999 9.930 391 HB2 ASP 71 HB2 ASP 71 -16.260 11.000 11.205 392 HB3 ASP 71 HB3 ASP 71 -15.662 12.148 10.009 393 H ILE 72 H ILE 72 -16.052 11.489 7.407 394 HA ILE 72 HA ILE 72 -17.126 14.010 6.558 395 HB ILE 72 HB ILE 72 -15.614 13.801 4.641 396 HG12 ILE 72 HG12 ILE 72 -14.790 11.129 5.783 397 HG13 ILE 72 HG13 ILE 72 -15.917 11.295 4.441 398 HG21 ILE 72 HG21 ILE 72 -14.863 14.512 6.971 399 HG22 ILE 72 HG22 ILE 72 -14.116 12.919 7.089 400 HG23 ILE 72 HG23 ILE 72 -13.604 14.042 5.828 401 HD11 ILE 72 HD11 ILE 72 -13.404 12.748 4.090 402 HD12 ILE 72 HD12 ILE 72 -13.236 10.995 4.195 403 HD13 ILE 72 HD13 ILE 72 -14.288 11.710 2.973 404 H GLY 73 H GLY 73 -17.778 10.683 5.890 405 HA2 GLY 73 HA2 GLY 73 -20.169 10.644 4.872 406 HA3 GLY 73 HA3 GLY 73 -19.346 11.385 3.507 407 H ILE 74 H ILE 74 -16.945 9.914 3.608 408 HA ILE 74 HA ILE 74 -17.605 7.681 2.072 409 HB ILE 74 HB ILE 74 -15.049 8.100 3.627 410 HG12 ILE 74 HG12 ILE 74 -15.742 8.935 0.801 411 HG13 ILE 74 HG13 ILE 74 -15.641 10.026 2.179 412 HG21 ILE 74 HG21 ILE 74 -15.952 5.982 1.943 413 HG22 ILE 74 HG22 ILE 74 -14.618 6.818 1.150 414 HG23 ILE 74 HG23 ILE 74 -14.405 6.157 2.772 415 HD11 ILE 74 HD11 ILE 74 -13.314 9.722 2.366 416 HD12 ILE 74 HD12 ILE 74 -13.331 8.342 1.268 417 HD13 ILE 74 HD13 ILE 74 -13.645 9.964 0.651 418 H SER 75 H SER 75 -19.004 6.244 2.984 419 HA SER 75 HA SER 75 -18.116 4.908 5.456 420 HB2 SER 75 HB2 SER 75 -20.650 4.172 5.433 421 HB3 SER 75 HB3 SER 75 -20.184 5.756 6.053 422 HG SER 75 HG SER 75 -21.610 5.090 3.787 423 H ASP 76 H ASP 76 -17.971 4.512 2.278 424 HA ASP 76 HA ASP 76 -18.902 1.767 2.109 425 HB2 ASP 76 HB2 ASP 76 -18.086 3.855 0.219 426 HB3 ASP 76 HB3 ASP 76 -17.509 2.248 -0.214 427 HA PRO 77 HA PRO 77 -15.092 -0.178 3.102 428 HB2 PRO 77 HB2 PRO 77 -15.291 -2.436 1.608 429 HB3 PRO 77 HB3 PRO 77 -16.249 -2.162 3.067 430 HG2 PRO 77 HG2 PRO 77 -17.025 -1.810 0.197 431 HG3 PRO 77 HG3 PRO 77 -17.952 -2.530 1.526 432 HD2 PRO 77 HD2 PRO 77 -18.377 -0.001 0.658 433 HD3 PRO 77 HD3 PRO 77 -18.602 -0.479 2.353 434 H GLN 78 H GLN 78 -15.874 -0.310 -0.376 435 HA GLN 78 HA GLN 78 -13.154 -0.543 -1.187 436 HB2 GLN 78 HB2 GLN 78 -14.080 -0.025 -3.467 437 HB3 GLN 78 HB3 GLN 78 -14.824 -1.398 -2.659 438 HG2 GLN 78 HG2 GLN 78 -16.829 -0.383 -2.474 439 HG3 GLN 78 HG3 GLN 78 -16.124 1.218 -2.254 440 HE21 GLN 78 HE21 GLN 78 -14.671 1.650 -4.424 441 HE22 GLN 78 HE22 GLN 78 -15.634 1.593 -5.857 442 H HIS 79 H HIS 79 -14.927 2.040 -0.008 443 HA HIS 79 HA HIS 79 -13.321 4.028 -1.452 444 HB2 HIS 79 HB2 HIS 79 -15.792 4.346 0.263 445 HB3 HIS 79 HB3 HIS 79 -14.910 5.683 -0.468 446 HD1 HIS 79 HD1 HIS 79 -17.543 5.856 -1.453 447 HD2 HIS 79 HD2 HIS 79 -14.981 3.011 -3.067 448 HE1 HIS 79 HE1 HIS 79 -18.532 5.250 -3.685 449 H ARG 80 H ARG 80 -13.920 2.664 1.699 450 HA ARG 80 HA ARG 80 -12.422 4.673 3.118 451 HB2 ARG 80 HB2 ARG 80 -14.024 2.320 3.790 452 HB3 ARG 80 HB3 ARG 80 -12.592 2.489 4.797 453 HG2 ARG 80 HG2 ARG 80 -13.286 4.799 5.332 454 HG3 ARG 80 HG3 ARG 80 -14.764 4.535 4.403 455 HD2 ARG 80 HD2 ARG 80 -13.888 3.014 6.856 456 HD3 ARG 80 HD3 ARG 80 -15.184 4.206 6.771 457 HE ARG 80 HE ARG 80 -15.495 1.960 4.986 458 HH11 ARG 80 HH11 ARG 80 -16.141 3.254 8.154 459 HH12 ARG 80 HH12 ARG 80 -17.499 2.216 8.444 460 HH21 ARG 80 HH21 ARG 80 -17.281 0.590 5.356 461 HH22 ARG 80 HH22 ARG 80 -18.147 0.701 6.852 462 H ARG 81 H ARG 81 -11.825 1.486 1.780 463 HA ARG 81 HA ARG 81 -9.238 1.209 3.003 464 HB2 ARG 81 HB2 ARG 81 -11.016 -0.421 1.392 465 HB3 ARG 81 HB3 ARG 81 -9.356 -0.534 0.825 466 HG2 ARG 81 HG2 ARG 81 -9.865 -2.275 2.445 467 HG3 ARG 81 HG3 ARG 81 -8.622 -1.178 3.053 468 HD2 ARG 81 HD2 ARG 81 -9.890 -0.538 4.778 469 HD3 ARG 81 HD3 ARG 81 -11.311 -0.323 3.754 470 HE ARG 81 HE ARG 81 -10.673 -2.606 5.369 471 HH11 ARG 81 HH11 ARG 81 -12.384 -1.504 2.545 472 HH12 ARG 81 HH12 ARG 81 -13.530 -2.803 2.572 473 HH21 ARG 81 HH21 ARG 81 -12.176 -4.321 5.416 474 HH22 ARG 81 HH22 ARG 81 -13.411 -4.404 4.206 475 H LYS 82 H LYS 82 -10.498 2.262 -0.107 476 HA LYS 82 HA LYS 82 -7.988 2.397 -1.432 477 HB2 LYS 82 HB2 LYS 82 -10.491 2.463 -2.329 478 HB3 LYS 82 HB3 LYS 82 -10.226 4.199 -2.228 479 HG2 LYS 82 HG2 LYS 82 -8.598 4.181 -3.861 480 HG3 LYS 82 HG3 LYS 82 -8.235 2.470 -3.627 481 HD2 LYS 82 HD2 LYS 82 -10.966 3.188 -4.546 482 HD3 LYS 82 HD3 LYS 82 -9.642 3.347 -5.704 483 HE2 LYS 82 HE2 LYS 82 -9.912 0.843 -4.098 484 HE3 LYS 82 HE3 LYS 82 -10.959 1.097 -5.493 485 HZ1 LYS 82 HZ1 LYS 82 -9.034 -0.096 -6.193 486 HZ2 LYS 82 HZ2 LYS 82 -7.992 1.031 -5.481 487 HZ3 LYS 82 HZ3 LYS 82 -8.922 1.470 -6.824 488 H LEU 83 H LEU 83 -9.978 4.789 0.266 489 HA LEU 83 HA LEU 83 -8.280 6.997 -0.247 490 HB2 LEU 83 HB2 LEU 83 -10.755 6.816 0.662 491 HB3 LEU 83 HB3 LEU 83 -9.937 6.885 2.221 492 HG LEU 83 HG LEU 83 -8.818 9.003 0.913 493 HD11 LEU 83 HD11 LEU 83 -10.813 10.240 -0.002 494 HD12 LEU 83 HD12 LEU 83 -11.654 8.691 -0.035 495 HD13 LEU 83 HD13 LEU 83 -10.200 8.924 -1.004 496 HD21 LEU 83 HD21 LEU 83 -9.834 8.797 3.225 497 HD22 LEU 83 HD22 LEU 83 -11.380 9.200 2.477 498 HD23 LEU 83 HD23 LEU 83 -10.042 10.349 2.414 499 H LEU 84 H LEU 84 -8.183 4.417 2.050 500 HA LEU 84 HA LEU 84 -6.372 5.754 3.856 501 HB2 LEU 84 HB2 LEU 84 -7.915 3.317 3.820 502 HB3 LEU 84 HB3 LEU 84 -6.258 3.004 4.334 503 HG LEU 84 HG LEU 84 -6.471 4.431 6.210 504 HD11 LEU 84 HD11 LEU 84 -7.591 6.334 5.896 505 HD12 LEU 84 HD12 LEU 84 -9.034 5.413 6.319 506 HD13 LEU 84 HD13 LEU 84 -8.596 5.637 4.625 507 HD21 LEU 84 HD21 LEU 84 -8.363 3.462 7.415 508 HD22 LEU 84 HD22 LEU 84 -7.511 2.238 6.473 509 HD23 LEU 84 HD23 LEU 84 -9.045 2.888 5.893 510 H GLN 85 H GLN 85 -6.162 3.711 1.064 511 HA GLN 85 HA GLN 85 -3.424 2.940 1.498 512 HB2 GLN 85 HB2 GLN 85 -5.258 1.710 0.126 513 HB3 GLN 85 HB3 GLN 85 -4.810 2.822 -1.161 514 HG2 GLN 85 HG2 GLN 85 -2.483 1.595 0.026 515 HG3 GLN 85 HG3 GLN 85 -3.625 0.388 -0.560 516 HE21 GLN 85 HE21 GLN 85 -0.963 1.188 -1.540 517 HE22 GLN 85 HE22 GLN 85 -1.188 1.607 -3.200 518 H ALA 86 H ALA 86 -5.123 5.258 -0.579 519 HA ALA 86 HA ALA 86 -2.734 6.240 -1.804 520 HB1 ALA 86 HB1 ALA 86 -4.102 7.442 -3.129 521 HB2 ALA 86 HB2 ALA 86 -5.342 6.376 -2.469 522 HB3 ALA 86 HB3 ALA 86 -5.107 7.984 -1.785 523 H ALA 87 H ALA 87 -4.313 6.825 1.172 524 HA ALA 87 HA ALA 87 -3.132 9.460 1.537 525 HB1 ALA 87 HB1 ALA 87 -5.383 9.114 2.362 526 HB2 ALA 87 HB2 ALA 87 -4.829 7.787 3.385 527 HB3 ALA 87 HB3 ALA 87 -4.287 9.434 3.707 528 H ARG 88 H ARG 88 -2.749 6.159 2.710 529 HA ARG 88 HA ARG 88 -0.779 6.816 4.674 530 HB2 ARG 88 HB2 ARG 88 -0.517 4.446 4.964 531 HB3 ARG 88 HB3 ARG 88 -2.231 4.788 4.768 532 HG2 ARG 88 HG2 ARG 88 -2.059 4.112 2.400 533 HG3 ARG 88 HG3 ARG 88 -0.369 3.684 2.675 534 HD2 ARG 88 HD2 ARG 88 -1.340 2.229 4.604 535 HD3 ARG 88 HD3 ARG 88 -2.852 2.378 3.708 536 HE ARG 88 HE ARG 88 -0.963 1.587 1.868 537 HH11 ARG 88 HH11 ARG 88 -2.278 0.340 4.840 538 HH12 ARG 88 HH12 ARG 88 -2.046 -1.319 4.399 539 HH21 ARG 88 HH21 ARG 88 -0.651 -0.594 1.276 540 HH22 ARG 88 HH22 ARG 88 -1.118 -1.849 2.372 541 H SER 89 H SER 89 -0.738 6.209 1.282 542 HA SER 89 HA SER 89 2.001 5.425 1.082 543 HB2 SER 89 HB2 SER 89 0.469 4.809 -0.685 544 HB3 SER 89 HB3 SER 89 0.067 6.499 -0.984 545 HG SER 89 HG SER 89 1.605 6.296 -2.421 546 H LEU 90 H LEU 90 0.553 8.334 1.828 547 HA LEU 90 HA LEU 90 2.464 10.055 0.506 548 HB2 LEU 90 HB2 LEU 90 0.094 10.425 2.254 549 HB3 LEU 90 HB3 LEU 90 1.293 11.716 2.214 550 HG LEU 90 HG LEU 90 0.728 11.051 -0.468 551 HD11 LEU 90 HD11 LEU 90 -1.370 10.077 0.796 552 HD12 LEU 90 HD12 LEU 90 -1.538 10.964 -0.718 553 HD13 LEU 90 HD13 LEU 90 -1.853 11.774 0.816 554 HD21 LEU 90 HD21 LEU 90 -0.306 13.365 -0.400 555 HD22 LEU 90 HD22 LEU 90 1.369 13.237 0.136 556 HD23 LEU 90 HD23 LEU 90 0.070 13.375 1.323 557 HA PRO 91 HA PRO 91 5.523 10.321 3.640 558 HB2 PRO 91 HB2 PRO 91 6.144 12.964 3.632 559 HB3 PRO 91 HB3 PRO 91 6.602 11.866 2.325 560 HG2 PRO 91 HG2 PRO 91 4.310 13.786 2.469 561 HG3 PRO 91 HG3 PRO 91 5.410 13.457 1.118 562 HD2 PRO 91 HD2 PRO 91 2.919 12.405 1.257 563 HD3 PRO 91 HD3 PRO 91 4.275 11.551 0.493 564 H LYS 92 H LYS 92 6.189 12.059 5.504 565 HA LYS 92 HA LYS 92 3.782 12.285 7.178 566 HB2 LYS 92 HB2 LYS 92 5.343 12.243 9.097 567 HB3 LYS 92 HB3 LYS 92 5.450 10.794 8.105 568 HG2 LYS 92 HG2 LYS 92 7.318 12.886 7.306 569 HG3 LYS 92 HG3 LYS 92 7.562 12.308 8.955 570 HD2 LYS 92 HD2 LYS 92 7.301 9.950 7.796 571 HD3 LYS 92 HD3 LYS 92 7.814 10.853 6.369 572 HE2 LYS 92 HE2 LYS 92 9.907 10.540 7.064 573 HE3 LYS 92 HE3 LYS 92 9.555 11.685 8.357 574 HZ1 LYS 92 HZ1 LYS 92 10.371 9.169 8.754 575 HZ2 LYS 92 HZ2 LYS 92 8.695 8.969 8.863 576 HZ3 LYS 92 HZ3 LYS 92 9.484 10.063 9.883 577 H VAL 93 H VAL 93 3.291 14.177 8.232 578 HA VAL 93 HA VAL 93 3.995 16.599 7.045 579 HB VAL 93 HB VAL 93 1.950 16.288 8.379 580 HG11 VAL 93 HG11 VAL 93 3.192 16.791 10.964 581 HG12 VAL 93 HG12 VAL 93 1.933 15.638 10.517 582 HG13 VAL 93 HG13 VAL 93 3.632 15.228 10.280 583 HG21 VAL 93 HG21 VAL 93 1.912 18.468 9.384 584 HG22 VAL 93 HG22 VAL 93 3.671 18.496 9.499 585 HG23 VAL 93 HG23 VAL 93 2.891 18.546 7.918 586 H LYS 94 H LYS 94 5.443 18.196 7.521 587 HA LYS 94 HA LYS 94 7.902 17.519 8.648 588 HB2 LYS 94 HB2 LYS 94 6.704 20.268 8.251 589 HB3 LYS 94 HB3 LYS 94 8.404 19.939 8.560 590 HG2 LYS 94 HG2 LYS 94 7.347 18.441 6.299 591 HG3 LYS 94 HG3 LYS 94 7.232 20.191 6.095 592 HD2 LYS 94 HD2 LYS 94 9.791 19.438 7.202 593 HD3 LYS 94 HD3 LYS 94 9.481 18.589 5.684 594 HE2 LYS 94 HE2 LYS 94 10.514 20.564 5.007 595 HE3 LYS 94 HE3 LYS 94 8.798 20.895 4.777 596 HZ1 LYS 94 HZ1 LYS 94 8.793 22.033 6.930 597 HZ2 LYS 94 HZ2 LYS 94 9.866 22.754 5.841 598 HZ3 LYS 94 HZ3 LYS 94 10.457 21.767 7.081 599 H ALA 95 H ALA 95 8.415 17.151 10.693 600 HA ALA 95 HA ALA 95 6.766 17.613 12.889 601 HB1 ALA 95 HB1 ALA 95 8.757 17.136 14.264 602 HB2 ALA 95 HB2 ALA 95 8.540 15.973 12.955 603 HB3 ALA 95 HB3 ALA 95 9.757 17.241 12.813 604 H LEU 96 H LEU 96 6.918 19.090 14.636 605 HA LEU 96 HA LEU 96 7.095 21.147 15.589 606 HB2 LEU 96 HB2 LEU 96 9.650 20.592 14.446 607 HB3 LEU 96 HB3 LEU 96 9.296 22.306 14.241 608 HG LEU 96 HG LEU 96 8.661 21.945 16.861 609 HD11 LEU 96 HD11 LEU 96 9.870 20.356 17.902 610 HD12 LEU 96 HD12 LEU 96 11.226 20.500 16.784 611 HD13 LEU 96 HD13 LEU 96 9.802 19.565 16.327 612 HD21 LEU 96 HD21 LEU 96 10.701 23.107 17.342 613 HD22 LEU 96 HD22 LEU 96 10.070 23.703 15.807 614 HD23 LEU 96 HD23 LEU 96 11.421 22.569 15.825 615 H GLY 97 H GLY 97 7.024 23.521 15.109 616 HA2 GLY 97 HA2 GLY 97 6.683 25.299 13.556 617 HA3 GLY 97 HA3 GLY 97 6.268 24.109 12.332 618 H TYR 98 H TYR 98 4.301 22.664 13.226 619 HA TYR 98 HA TYR 98 2.206 24.611 13.918 620 HB2 TYR 98 HB2 TYR 98 2.242 23.221 11.679 621 HB3 TYR 98 HB3 TYR 98 1.586 21.949 12.702 622 HD1 TYR 98 HD1 TYR 98 1.012 25.513 11.764 623 HD2 TYR 98 HD2 TYR 98 -0.706 21.846 13.071 624 HE1 TYR 98 HE1 TYR 98 -1.235 26.484 11.516 625 HE2 TYR 98 HE2 TYR 98 -2.957 22.806 12.826 626 HH TYR 98 HH TYR 98 -3.562 25.671 11.162 627 H ASP 99 H ASP 99 2.668 21.083 14.183 628 HA ASP 99 HA ASP 99 1.867 21.264 17.004 629 HB2 ASP 99 HB2 ASP 99 0.674 19.008 16.571 630 HB3 ASP 99 HB3 ASP 99 -0.131 20.491 16.066 631 H GLY 100 H GLY 100 2.153 18.860 17.953 632 HA2 GLY 100 HA2 GLY 100 4.739 17.824 16.987 633 HA3 GLY 100 HA3 GLY 100 4.516 18.210 18.687 634 H ASN 101 H ASN 101 4.746 16.193 19.540 635 HA ASN 101 HA ASN 101 4.167 14.092 20.186 636 HB2 ASN 101 HB2 ASN 101 1.639 15.359 19.398 637 HB3 ASN 101 HB3 ASN 101 1.603 13.600 19.328 638 HD21 ASN 101 HD21 ASN 101 2.592 12.529 21.307 639 HD22 ASN 101 HD22 ASN 101 2.144 13.196 22.835 Start of MODEL 7 1 H MET 21 H MET 21 16.042 -1.983 -8.568 2 HA MET 21 HA MET 21 13.946 -0.642 -7.697 3 HB2 MET 21 HB2 MET 21 16.521 -0.127 -7.478 4 HB3 MET 21 HB3 MET 21 16.164 1.102 -8.684 5 HG2 MET 21 HG2 MET 21 16.020 2.161 -6.589 6 HG3 MET 21 HG3 MET 21 14.365 1.940 -7.150 7 HE1 MET 21 HE1 MET 21 14.081 1.782 -3.380 8 HE2 MET 21 HE2 MET 21 14.055 2.763 -4.846 9 HE3 MET 21 HE3 MET 21 12.802 1.550 -4.573 10 H ILE 22 H ILE 22 12.255 -0.716 -9.241 11 HA ILE 22 HA ILE 22 12.445 1.359 -11.328 12 HB ILE 22 HB ILE 22 12.200 -0.957 -12.216 13 HG12 ILE 22 HG12 ILE 22 10.175 -0.406 -13.659 14 HG13 ILE 22 HG13 ILE 22 9.986 1.043 -12.677 15 HG21 ILE 22 HG21 ILE 22 10.640 -1.537 -10.196 16 HG22 ILE 22 HG22 ILE 22 9.370 -0.972 -11.279 17 HG23 ILE 22 HG23 ILE 22 10.404 -2.317 -11.759 18 HD11 ILE 22 HD11 ILE 22 11.803 2.058 -13.584 19 HD12 ILE 22 HD12 ILE 22 12.636 0.536 -13.903 20 HD13 ILE 22 HD13 ILE 22 11.316 1.056 -14.951 21 H SER 23 H SER 23 10.574 0.001 -8.716 22 HA SER 23 HA SER 23 8.184 1.446 -9.125 23 HB2 SER 23 HB2 SER 23 8.492 -0.552 -7.604 24 HB3 SER 23 HB3 SER 23 9.273 0.535 -6.455 25 HG SER 23 HG SER 23 7.367 1.139 -5.846 26 H GLY 24 H GLY 24 7.392 3.053 -7.383 27 HA2 GLY 24 HA2 GLY 24 7.695 5.004 -6.145 28 HA3 GLY 24 HA3 GLY 24 9.432 4.839 -6.358 29 H LEU 25 H LEU 25 6.660 6.497 -7.317 30 HA LEU 25 HA LEU 25 8.064 7.634 -9.644 31 HB2 LEU 25 HB2 LEU 25 5.862 8.284 -10.494 32 HB3 LEU 25 HB3 LEU 25 6.011 6.541 -10.288 33 HG LEU 25 HG LEU 25 4.729 8.163 -8.134 34 HD11 LEU 25 HD11 LEU 25 3.759 8.787 -10.402 35 HD12 LEU 25 HD12 LEU 25 2.633 8.190 -9.184 36 HD13 LEU 25 HD13 LEU 25 3.173 7.126 -10.483 37 HD21 LEU 25 HD21 LEU 25 5.260 5.477 -8.512 38 HD22 LEU 25 HD22 LEU 25 3.550 5.630 -8.921 39 HD23 LEU 25 HD23 LEU 25 4.132 6.166 -7.344 40 H ARG 26 H ARG 26 8.280 8.366 -6.772 41 HA ARG 26 HA ARG 26 8.496 10.253 -5.522 42 HB2 ARG 26 HB2 ARG 26 8.657 11.142 -8.281 43 HB3 ARG 26 HB3 ARG 26 7.980 12.388 -7.240 44 HG2 ARG 26 HG2 ARG 26 10.060 11.648 -5.730 45 HG3 ARG 26 HG3 ARG 26 10.704 11.257 -7.327 46 HD2 ARG 26 HD2 ARG 26 9.476 13.765 -7.581 47 HD3 ARG 26 HD3 ARG 26 10.378 13.820 -6.066 48 HE ARG 26 HE ARG 26 12.092 12.727 -7.924 49 HH11 ARG 26 HH11 ARG 26 10.338 15.709 -7.539 50 HH12 ARG 26 HH12 ARG 26 11.504 16.659 -8.398 51 HH21 ARG 26 HH21 ARG 26 13.636 13.966 -9.058 52 HH22 ARG 26 HH22 ARG 26 13.379 15.666 -9.263 53 H THR 27 H THR 27 7.296 12.302 -4.836 54 HA THR 27 HA THR 27 4.458 11.644 -4.721 55 HB THR 27 HB THR 27 4.295 13.110 -2.852 56 HG1 THR 27 HG1 THR 27 5.569 14.790 -2.631 57 HG21 THR 27 HG21 THR 27 6.089 12.281 -1.350 58 HG22 THR 27 HG22 THR 27 6.927 11.633 -2.761 59 HG23 THR 27 HG23 THR 27 5.344 11.000 -2.308 60 H LEU 28 H LEU 28 3.182 13.942 -4.335 61 HA LEU 28 HA LEU 28 3.882 16.024 -6.145 62 HB2 LEU 28 HB2 LEU 28 2.146 13.826 -7.071 63 HB3 LEU 28 HB3 LEU 28 1.578 15.457 -7.421 64 HG LEU 28 HG LEU 28 4.333 15.240 -8.161 65 HD11 LEU 28 HD11 LEU 28 2.761 13.380 -9.840 66 HD12 LEU 28 HD12 LEU 28 3.348 12.766 -8.295 67 HD13 LEU 28 HD13 LEU 28 4.487 13.405 -9.480 68 HD21 LEU 28 HD21 LEU 28 2.784 16.871 -9.060 69 HD22 LEU 28 HD22 LEU 28 1.791 15.587 -9.748 70 HD23 LEU 28 HD23 LEU 28 3.421 15.866 -10.361 71 H GLU 29 H GLU 29 1.988 17.579 -6.431 72 HA GLU 29 HA GLU 29 0.511 17.680 -3.892 73 HB2 GLU 29 HB2 GLU 29 2.135 19.570 -5.037 74 HB3 GLU 29 HB3 GLU 29 0.541 20.101 -5.555 75 HG2 GLU 29 HG2 GLU 29 0.903 21.237 -3.562 76 HG3 GLU 29 HG3 GLU 29 -0.133 19.888 -3.104 77 H GLN 30 H GLN 30 -0.447 16.048 -5.987 78 HA GLN 30 HA GLN 30 -2.292 17.150 -7.715 79 HB2 GLN 30 HB2 GLN 30 -2.653 14.564 -6.193 80 HB3 GLN 30 HB3 GLN 30 -3.399 14.994 -7.727 81 HG2 GLN 30 HG2 GLN 30 -1.647 14.278 -8.874 82 HG3 GLN 30 HG3 GLN 30 -0.529 15.206 -7.875 83 HE21 GLN 30 HE21 GLN 30 -0.462 14.175 -5.527 84 HE22 GLN 30 HE22 GLN 30 -0.110 12.484 -5.526 85 H SER 31 H SER 31 -3.999 18.397 -7.391 86 HA SER 31 HA SER 31 -5.018 19.141 -4.928 87 HB2 SER 31 HB2 SER 31 -6.983 19.177 -7.126 88 HB3 SER 31 HB3 SER 31 -6.392 20.498 -6.119 89 HG SER 31 HG SER 31 -4.908 20.935 -7.557 90 H VAL 32 H VAL 32 -7.319 18.826 -4.186 91 HA VAL 32 HA VAL 32 -7.762 16.180 -3.457 92 HB VAL 32 HB VAL 32 -9.775 18.428 -3.588 93 HG11 VAL 32 HG11 VAL 32 -10.948 16.344 -3.440 94 HG12 VAL 32 HG12 VAL 32 -9.863 15.769 -2.171 95 HG13 VAL 32 HG13 VAL 32 -10.971 17.103 -1.849 96 HG21 VAL 32 HG21 VAL 32 -7.490 18.186 -2.027 97 HG22 VAL 32 HG22 VAL 32 -8.855 19.265 -1.739 98 HG23 VAL 32 HG23 VAL 32 -8.806 17.681 -0.967 99 H GLY 33 H GLY 33 -9.500 18.107 -5.906 100 HA2 GLY 33 HA2 GLY 33 -11.234 16.120 -6.798 101 HA3 GLY 33 HA3 GLY 33 -10.669 17.468 -7.774 102 H GLU 34 H GLU 34 -8.212 17.111 -8.420 103 HA GLU 34 HA GLU 34 -8.151 15.080 -10.302 104 HB2 GLU 34 HB2 GLU 34 -6.656 16.908 -10.562 105 HB3 GLU 34 HB3 GLU 34 -5.930 16.632 -8.984 106 HG2 GLU 34 HG2 GLU 34 -4.432 15.927 -10.743 107 HG3 GLU 34 HG3 GLU 34 -4.962 14.541 -9.794 108 H TRP 35 H TRP 35 -6.609 15.152 -7.097 109 HA TRP 35 HA TRP 35 -5.349 12.698 -7.143 110 HB2 TRP 35 HB2 TRP 35 -4.971 14.193 -5.308 111 HB3 TRP 35 HB3 TRP 35 -6.672 14.154 -4.851 112 HD1 TRP 35 HD1 TRP 35 -4.525 11.031 -5.579 113 HE1 TRP 35 HE1 TRP 35 -4.443 9.597 -3.443 114 HE3 TRP 35 HE3 TRP 35 -6.979 14.186 -2.391 115 HZ2 TRP 35 HZ2 TRP 35 -5.306 9.780 -0.761 116 HZ3 TRP 35 HZ3 TRP 35 -7.309 13.481 -0.057 117 HH2 TRP 35 HH2 TRP 35 -6.489 11.323 0.739 118 H LEU 36 H LEU 36 -8.637 13.374 -5.936 119 HA LEU 36 HA LEU 36 -9.297 10.671 -5.457 120 HB2 LEU 36 HB2 LEU 36 -11.106 13.020 -6.006 121 HB3 LEU 36 HB3 LEU 36 -11.618 11.468 -5.345 122 HG LEU 36 HG LEU 36 -9.575 13.134 -3.918 123 HD11 LEU 36 HD11 LEU 36 -11.500 14.593 -4.371 124 HD12 LEU 36 HD12 LEU 36 -11.339 14.209 -2.658 125 HD13 LEU 36 HD13 LEU 36 -12.564 13.397 -3.632 126 HD21 LEU 36 HD21 LEU 36 -11.291 11.875 -2.143 127 HD22 LEU 36 HD22 LEU 36 -9.665 11.353 -2.588 128 HD23 LEU 36 HD23 LEU 36 -11.066 10.700 -3.440 129 H GLU 37 H GLU 37 -9.453 12.689 -8.298 130 HA GLU 37 HA GLU 37 -11.217 11.095 -9.825 131 HB2 GLU 37 HB2 GLU 37 -9.632 13.448 -10.215 132 HB3 GLU 37 HB3 GLU 37 -9.368 12.354 -11.565 133 HG2 GLU 37 HG2 GLU 37 -12.158 12.463 -10.979 134 HG3 GLU 37 HG3 GLU 37 -11.528 14.100 -11.137 135 H SER 38 H SER 38 -7.812 10.882 -9.134 136 HA SER 38 HA SER 38 -7.142 9.098 -11.250 137 HB2 SER 38 HB2 SER 38 -5.742 10.501 -9.261 138 HB3 SER 38 HB3 SER 38 -5.435 8.796 -8.933 139 HG SER 38 HG SER 38 -4.357 10.317 -10.816 140 H ILE 39 H ILE 39 -8.585 8.720 -8.135 141 HA ILE 39 HA ILE 39 -8.218 5.809 -8.237 142 HB ILE 39 HB ILE 39 -8.982 5.762 -5.925 143 HG12 ILE 39 HG12 ILE 39 -9.129 8.779 -6.088 144 HG13 ILE 39 HG13 ILE 39 -10.535 7.720 -6.149 145 HG21 ILE 39 HG21 ILE 39 -6.568 6.522 -6.750 146 HG22 ILE 39 HG22 ILE 39 -7.008 7.969 -5.844 147 HG23 ILE 39 HG23 ILE 39 -6.989 6.398 -5.042 148 HD11 ILE 39 HD11 ILE 39 -8.619 8.060 -3.857 149 HD12 ILE 39 HD12 ILE 39 -10.305 8.577 -3.933 150 HD13 ILE 39 HD13 ILE 39 -9.909 6.858 -3.911 151 H GLY 40 H GLY 40 -10.512 8.262 -8.818 152 HA2 GLY 40 HA2 GLY 40 -12.567 7.889 -9.911 153 HA3 GLY 40 HA3 GLY 40 -12.548 6.230 -9.331 154 H LEU 41 H LEU 41 -11.870 8.777 -7.095 155 HA LEU 41 HA LEU 41 -14.547 8.409 -5.918 156 HB2 LEU 41 HB2 LEU 41 -12.212 7.707 -4.772 157 HB3 LEU 41 HB3 LEU 41 -12.345 9.371 -4.206 158 HG LEU 41 HG LEU 41 -14.513 8.845 -3.188 159 HD11 LEU 41 HD11 LEU 41 -15.676 7.033 -3.716 160 HD12 LEU 41 HD12 LEU 41 -14.338 5.983 -3.256 161 HD13 LEU 41 HD13 LEU 41 -14.431 6.623 -4.896 162 HD21 LEU 41 HD21 LEU 41 -13.067 8.579 -1.492 163 HD22 LEU 41 HD22 LEU 41 -11.978 7.569 -2.444 164 HD23 LEU 41 HD23 LEU 41 -13.410 6.861 -1.694 165 H GLN 42 H GLN 42 -13.193 10.481 -7.807 166 HA GLN 42 HA GLN 42 -12.996 12.948 -6.565 167 HB2 GLN 42 HB2 GLN 42 -12.584 12.236 -9.040 168 HB3 GLN 42 HB3 GLN 42 -14.266 12.696 -9.269 169 HG2 GLN 42 HG2 GLN 42 -12.998 14.782 -7.844 170 HG3 GLN 42 HG3 GLN 42 -11.958 14.347 -9.200 171 HE21 GLN 42 HE21 GLN 42 -12.372 16.302 -10.233 172 HE22 GLN 42 HE22 GLN 42 -13.881 16.625 -11.013 173 H GLN 43 H GLN 43 -15.797 11.043 -7.227 174 HA GLN 43 HA GLN 43 -17.754 13.072 -7.210 175 HB2 GLN 43 HB2 GLN 43 -19.347 11.268 -6.728 176 HB3 GLN 43 HB3 GLN 43 -18.233 10.819 -8.013 177 HG2 GLN 43 HG2 GLN 43 -17.031 9.942 -5.653 178 HG3 GLN 43 HG3 GLN 43 -18.739 9.534 -5.495 179 HE21 GLN 43 HE21 GLN 43 -16.422 7.795 -5.839 180 HE22 GLN 43 HE22 GLN 43 -16.727 6.869 -7.265 181 H TYR 44 H TYR 44 -16.121 11.322 -4.651 182 HA TYR 44 HA TYR 44 -17.852 12.372 -2.587 183 HB2 TYR 44 HB2 TYR 44 -15.892 10.283 -2.800 184 HB3 TYR 44 HB3 TYR 44 -15.491 11.322 -1.438 185 HD1 TYR 44 HD2 TYR 44 -17.170 11.659 0.383 186 HD2 TYR 44 HD1 TYR 44 -17.733 8.788 -2.706 187 HE1 TYR 44 HE2 TYR 44 -18.871 10.529 1.753 188 HE2 TYR 44 HE1 TYR 44 -19.437 7.649 -1.345 189 HH TYR 44 HH TYR 44 -19.860 7.552 1.369 190 H GLU 45 H GLU 45 -15.608 13.792 -4.427 191 HA GLU 45 HA GLU 45 -13.767 15.037 -2.800 192 HB2 GLU 45 HB2 GLU 45 -13.674 15.306 -5.189 193 HB3 GLU 45 HB3 GLU 45 -15.234 16.118 -5.207 194 HG2 GLU 45 HG2 GLU 45 -14.291 18.000 -3.995 195 HG3 GLU 45 HG3 GLU 45 -12.731 17.183 -3.916 196 H SER 46 H SER 46 -17.047 16.173 -3.588 197 HA SER 46 HA SER 46 -17.068 18.530 -2.159 198 HB2 SER 46 HB2 SER 46 -19.127 16.616 -3.079 199 HB3 SER 46 HB3 SER 46 -19.620 17.693 -1.774 200 HG SER 46 HG SER 46 -18.278 18.772 -3.982 201 H LYS 47 H LYS 47 -17.771 15.257 -0.995 202 HA LYS 47 HA LYS 47 -18.442 16.011 1.647 203 HB2 LYS 47 HB2 LYS 47 -17.895 13.508 0.197 204 HB3 LYS 47 HB3 LYS 47 -17.509 13.456 1.912 205 HG2 LYS 47 HG2 LYS 47 -19.730 12.679 1.673 206 HG3 LYS 47 HG3 LYS 47 -19.826 14.300 2.363 207 HD2 LYS 47 HD2 LYS 47 -21.065 15.003 0.654 208 HD3 LYS 47 HD3 LYS 47 -19.849 14.458 -0.502 209 HE2 LYS 47 HE2 LYS 47 -21.572 12.389 0.736 210 HE3 LYS 47 HE3 LYS 47 -22.326 13.469 -0.436 211 HZ1 LYS 47 HZ1 LYS 47 -20.668 11.255 -0.916 212 HZ2 LYS 47 HZ2 LYS 47 -19.884 12.638 -1.495 213 HZ3 LYS 47 HZ3 LYS 47 -21.439 12.256 -2.042 214 H LEU 48 H LEU 48 -15.404 15.124 0.096 215 HA LEU 48 HA LEU 48 -13.919 15.175 2.565 216 HB2 LEU 48 HB2 LEU 48 -13.457 13.851 0.362 217 HB3 LEU 48 HB3 LEU 48 -12.649 15.337 -0.134 218 HG LEU 48 HG LEU 48 -11.871 14.181 2.484 219 HD11 LEU 48 HD11 LEU 48 -12.034 12.212 1.007 220 HD12 LEU 48 HD12 LEU 48 -10.377 12.573 1.485 221 HD13 LEU 48 HD13 LEU 48 -10.941 13.003 -0.130 222 HD21 LEU 48 HD21 LEU 48 -10.704 15.830 0.316 223 HD22 LEU 48 HD22 LEU 48 -9.603 14.806 1.237 224 HD23 LEU 48 HD23 LEU 48 -10.590 16.010 2.067 225 H LEU 49 H LEU 49 -15.198 17.538 0.635 226 HA LEU 49 HA LEU 49 -13.041 19.447 1.228 227 HB2 LEU 49 HB2 LEU 49 -13.568 19.411 -1.093 228 HB3 LEU 49 HB3 LEU 49 -15.296 19.514 -0.763 229 HG LEU 49 HG LEU 49 -14.991 21.815 0.044 230 HD11 LEU 49 HD11 LEU 49 -12.129 21.448 -0.833 231 HD12 LEU 49 HD12 LEU 49 -12.689 21.619 0.830 232 HD13 LEU 49 HD13 LEU 49 -12.866 22.960 -0.301 233 HD21 LEU 49 HD21 LEU 49 -14.047 21.112 -2.718 234 HD22 LEU 49 HD22 LEU 49 -14.270 22.784 -2.202 235 HD23 LEU 49 HD23 LEU 49 -15.639 21.672 -2.205 236 H LEU 50 H LEU 50 -16.475 18.817 1.631 237 HA LEU 50 HA LEU 50 -16.995 21.307 2.973 238 HB2 LEU 50 HB2 LEU 50 -18.516 19.118 1.931 239 HB3 LEU 50 HB3 LEU 50 -19.006 19.431 3.594 240 HG LEU 50 HG LEU 50 -20.339 20.590 1.785 241 HD11 LEU 50 HD11 LEU 50 -20.936 22.038 3.364 242 HD12 LEU 50 HD12 LEU 50 -19.360 22.829 3.344 243 HD13 LEU 50 HD13 LEU 50 -19.611 21.388 4.330 244 HD21 LEU 50 HD21 LEU 50 -19.458 22.289 0.522 245 HD22 LEU 50 HD22 LEU 50 -18.077 21.196 0.599 246 HD23 LEU 50 HD23 LEU 50 -18.147 22.604 1.658 247 H ASN 51 H ASN 51 -15.674 18.313 3.870 248 HA ASN 51 HA ASN 51 -16.384 18.647 6.688 249 HB2 ASN 51 HB2 ASN 51 -15.355 16.393 5.032 250 HB3 ASN 51 HB3 ASN 51 -14.930 16.416 6.740 251 HD21 ASN 51 HD21 ASN 51 -17.593 16.382 4.462 252 HD22 ASN 51 HD22 ASN 51 -18.759 15.713 5.546 253 H GLY 52 H GLY 52 -14.427 20.322 5.087 254 HA2 GLY 52 HA2 GLY 52 -12.352 21.273 5.363 255 HA3 GLY 52 HA3 GLY 52 -12.617 20.941 7.068 256 H PHE 53 H PHE 53 -11.970 18.891 4.224 257 HA PHE 53 HA PHE 53 -9.566 17.896 5.589 258 HB2 PHE 53 HB2 PHE 53 -11.905 16.424 5.362 259 HB3 PHE 53 HB3 PHE 53 -10.920 15.839 4.026 260 HD1 PHE 53 HD1 PHE 53 -8.291 15.626 4.860 261 HD2 PHE 53 HD2 PHE 53 -11.793 15.109 7.224 262 HE1 PHE 53 HE1 PHE 53 -7.026 14.201 6.416 263 HE2 PHE 53 HE2 PHE 53 -10.533 13.684 8.785 264 HZ PHE 53 HZ PHE 53 -8.146 13.229 8.383 265 H ASP 54 H ASP 54 -10.613 19.527 3.058 266 HA ASP 54 HA ASP 54 -9.585 18.241 0.787 267 HB2 ASP 54 HB2 ASP 54 -9.931 20.241 -0.339 268 HB3 ASP 54 HB3 ASP 54 -11.044 20.397 1.018 269 H ASP 55 H ASP 55 -8.006 19.720 3.434 270 HA ASP 55 HA ASP 55 -5.636 20.636 2.291 271 HB2 ASP 55 HB2 ASP 55 -6.140 19.399 5.003 272 HB3 ASP 55 HB3 ASP 55 -4.627 20.179 4.547 273 H VAL 56 H VAL 56 -4.680 19.391 0.762 274 HA VAL 56 HA VAL 56 -4.415 16.584 0.882 275 HB VAL 56 HB VAL 56 -2.742 18.552 -0.686 276 HG11 VAL 56 HG11 VAL 56 -1.544 16.593 -0.845 277 HG12 VAL 56 HG12 VAL 56 -2.982 15.577 -0.714 278 HG13 VAL 56 HG13 VAL 56 -2.643 16.438 -2.217 279 HG21 VAL 56 HG21 VAL 56 -5.491 17.794 -0.923 280 HG22 VAL 56 HG22 VAL 56 -4.564 18.931 -1.901 281 HG23 VAL 56 HG23 VAL 56 -4.597 17.221 -2.331 282 H HIS 57 H HIS 57 -2.686 19.112 2.403 283 HA HIS 57 HA HIS 57 -0.313 17.482 2.860 284 HB2 HIS 57 HB2 HIS 57 -0.701 20.208 2.593 285 HB3 HIS 57 HB3 HIS 57 -0.468 20.004 4.327 286 HD1 HIS 57 HD1 HIS 57 1.279 18.489 1.292 287 HD2 HIS 57 HD2 HIS 57 2.135 20.433 4.863 288 HE1 HIS 57 HE1 HIS 57 3.788 18.610 1.407 289 H PHE 58 H PHE 58 -3.153 17.117 4.034 290 HA PHE 58 HA PHE 58 -2.316 16.953 6.855 291 HB2 PHE 58 HB2 PHE 58 -4.639 18.112 5.690 292 HB3 PHE 58 HB3 PHE 58 -5.149 16.697 6.604 293 HD1 PHE 58 HD1 PHE 58 -4.214 16.503 9.018 294 HD2 PHE 58 HD2 PHE 58 -4.323 20.121 6.778 295 HE1 PHE 58 HE1 PHE 58 -4.067 17.796 11.106 296 HE2 PHE 58 HE2 PHE 58 -4.175 21.420 8.862 297 HZ PHE 58 HZ PHE 58 -4.046 20.258 11.029 298 H LEU 59 H LEU 59 -3.395 15.235 4.091 299 HA LEU 59 HA LEU 59 -4.620 12.993 5.133 300 HB2 LEU 59 HB2 LEU 59 -2.841 13.422 2.766 301 HB3 LEU 59 HB3 LEU 59 -3.414 11.804 3.165 302 HG LEU 59 HG LEU 59 -4.803 12.783 1.445 303 HD11 LEU 59 HD11 LEU 59 -6.960 12.475 2.460 304 HD12 LEU 59 HD12 LEU 59 -6.289 12.756 4.067 305 HD13 LEU 59 HD13 LEU 59 -5.827 11.318 3.158 306 HD21 LEU 59 HD21 LEU 59 -4.298 15.169 2.333 307 HD22 LEU 59 HD22 LEU 59 -5.723 14.909 3.340 308 HD23 LEU 59 HD23 LEU 59 -5.859 14.837 1.582 309 H GLY 60 H GLY 60 -1.169 13.728 4.916 310 HA2 GLY 60 HA2 GLY 60 -0.494 11.171 6.154 311 HA3 GLY 60 HA3 GLY 60 0.643 12.355 5.526 312 H SER 61 H SER 61 -2.005 12.923 7.797 313 HA SER 61 HA SER 61 -0.209 13.080 10.054 314 HB2 SER 61 HB2 SER 61 -0.213 15.330 8.650 315 HB3 SER 61 HB3 SER 61 -1.715 15.607 9.531 316 HG SER 61 HG SER 61 -0.630 15.691 11.394 317 H ASN 62 H ASN 62 -3.417 14.108 8.890 318 HA ASN 62 HA ASN 62 -4.775 14.046 11.300 319 HB2 ASN 62 HB2 ASN 62 -5.494 14.620 8.773 320 HB3 ASN 62 HB3 ASN 62 -6.238 13.031 8.925 321 HD21 ASN 62 HD21 ASN 62 -6.181 16.298 10.124 322 HD22 ASN 62 HD22 ASN 62 -7.705 16.237 10.938 323 H VAL 63 H VAL 63 -6.435 12.450 12.000 324 HA VAL 63 HA VAL 63 -5.332 10.019 12.687 325 HB VAL 63 HB VAL 63 -7.245 10.823 13.881 326 HG11 VAL 63 HG11 VAL 63 -8.286 11.933 11.884 327 HG12 VAL 63 HG12 VAL 63 -8.931 10.355 11.429 328 HG13 VAL 63 HG13 VAL 63 -9.417 11.102 12.952 329 HG21 VAL 63 HG21 VAL 63 -8.694 8.568 12.805 330 HG22 VAL 63 HG22 VAL 63 -6.978 8.201 12.978 331 HG23 VAL 63 HG23 VAL 63 -7.906 8.753 14.372 332 H MET 64 H MET 64 -7.521 10.732 9.984 333 HA MET 64 HA MET 64 -8.173 9.483 8.184 334 HB2 MET 64 HB2 MET 64 -5.227 9.179 8.427 335 HB3 MET 64 HB3 MET 64 -6.048 8.116 7.290 336 HG2 MET 64 HG2 MET 64 -6.744 10.979 7.149 337 HG3 MET 64 HG3 MET 64 -5.114 10.536 6.647 338 HE1 MET 64 HE1 MET 64 -8.725 10.704 6.008 339 HE2 MET 64 HE2 MET 64 -9.034 9.840 4.502 340 HE3 MET 64 HE3 MET 64 -8.884 8.947 6.017 341 H GLU 65 H GLU 65 -9.354 8.228 10.025 342 HA GLU 65 HA GLU 65 -8.537 5.401 9.868 343 HB2 GLU 65 HB2 GLU 65 -8.611 6.692 12.158 344 HB3 GLU 65 HB3 GLU 65 -10.341 6.408 12.031 345 HG2 GLU 65 HG2 GLU 65 -10.148 4.195 12.418 346 HG3 GLU 65 HG3 GLU 65 -8.600 4.071 11.585 347 H GLU 66 H GLU 66 -10.498 3.908 10.267 348 HA GLU 66 HA GLU 66 -12.234 4.072 8.133 349 HB2 GLU 66 HB2 GLU 66 -13.545 2.331 9.214 350 HB3 GLU 66 HB3 GLU 66 -11.828 2.018 9.424 351 HG2 GLU 66 HG2 GLU 66 -11.968 2.977 11.694 352 HG3 GLU 66 HG3 GLU 66 -13.706 3.169 11.474 353 H GLN 67 H GLN 67 -12.592 5.377 11.371 354 HA GLN 67 HA GLN 67 -15.339 6.093 11.087 355 HB2 GLN 67 HB2 GLN 67 -13.881 5.789 13.241 356 HB3 GLN 67 HB3 GLN 67 -13.489 7.485 12.986 357 HG2 GLN 67 HG2 GLN 67 -15.489 8.178 13.694 358 HG3 GLN 67 HG3 GLN 67 -16.345 6.898 12.834 359 HE21 GLN 67 HE21 GLN 67 -17.662 6.146 14.380 360 HE22 GLN 67 HE22 GLN 67 -17.136 5.485 15.888 361 H ASP 68 H ASP 68 -12.284 7.880 10.833 362 HA ASP 68 HA ASP 68 -13.257 10.429 10.420 363 HB2 ASP 68 HB2 ASP 68 -10.794 9.413 10.486 364 HB3 ASP 68 HB3 ASP 68 -10.961 9.546 8.739 365 H LEU 69 H LEU 69 -12.843 7.820 8.067 366 HA LEU 69 HA LEU 69 -13.641 9.378 5.819 367 HB2 LEU 69 HB2 LEU 69 -13.786 6.384 6.053 368 HB3 LEU 69 HB3 LEU 69 -13.611 7.349 4.589 369 HG LEU 69 HG LEU 69 -11.432 7.677 6.528 370 HD11 LEU 69 HD11 LEU 69 -11.215 5.166 5.002 371 HD12 LEU 69 HD12 LEU 69 -12.291 5.131 6.398 372 HD13 LEU 69 HD13 LEU 69 -10.599 5.585 6.601 373 HD21 LEU 69 HD21 LEU 69 -10.162 7.947 4.644 374 HD22 LEU 69 HD22 LEU 69 -11.743 8.425 4.024 375 HD23 LEU 69 HD23 LEU 69 -11.119 6.807 3.698 376 H ARG 70 H ARG 70 -15.316 7.372 8.150 377 HA ARG 70 HA ARG 70 -17.780 7.235 6.725 378 HB2 ARG 70 HB2 ARG 70 -17.086 5.638 8.519 379 HB3 ARG 70 HB3 ARG 70 -17.323 6.924 9.695 380 HG2 ARG 70 HG2 ARG 70 -19.541 6.657 9.713 381 HG3 ARG 70 HG3 ARG 70 -19.629 6.472 7.960 382 HD2 ARG 70 HD2 ARG 70 -18.447 4.153 8.581 383 HD3 ARG 70 HD3 ARG 70 -19.332 4.428 10.081 384 HE ARG 70 HE ARG 70 -20.425 3.633 7.579 385 HH11 ARG 70 HH11 ARG 70 -21.091 5.519 10.428 386 HH12 ARG 70 HH12 ARG 70 -22.810 5.353 10.294 387 HH21 ARG 70 HH21 ARG 70 -22.686 3.407 7.392 388 HH22 ARG 70 HH22 ARG 70 -23.717 4.151 8.567 389 H ASP 71 H ASP 71 -16.458 9.389 9.180 390 HA ASP 71 HA ASP 71 -18.819 10.818 9.738 391 HB2 ASP 71 HB2 ASP 71 -16.609 10.837 11.030 392 HB3 ASP 71 HB3 ASP 71 -16.048 12.002 9.834 393 H ILE 72 H ILE 72 -16.311 11.251 7.296 394 HA ILE 72 HA ILE 72 -17.390 13.719 6.312 395 HB ILE 72 HB ILE 72 -15.805 13.415 4.435 396 HG12 ILE 72 HG12 ILE 72 -15.037 10.865 5.871 397 HG13 ILE 72 HG13 ILE 72 -15.930 10.936 4.355 398 HG21 ILE 72 HG21 ILE 72 -14.011 14.090 5.666 399 HG22 ILE 72 HG22 ILE 72 -15.263 14.213 6.901 400 HG23 ILE 72 HG23 ILE 72 -14.204 12.803 6.857 401 HD11 ILE 72 HD11 ILE 72 -13.129 11.944 4.794 402 HD12 ILE 72 HD12 ILE 72 -13.580 10.441 3.987 403 HD13 ILE 72 HD13 ILE 72 -14.022 11.993 3.275 404 H GLY 73 H GLY 73 -18.304 10.501 6.000 405 HA2 GLY 73 HA2 GLY 73 -20.500 10.282 4.821 406 HA3 GLY 73 HA3 GLY 73 -19.714 11.081 3.467 407 H ILE 74 H ILE 74 -17.228 9.717 3.611 408 HA ILE 74 HA ILE 74 -17.755 7.490 2.012 409 HB ILE 74 HB ILE 74 -15.255 7.960 3.640 410 HG12 ILE 74 HG12 ILE 74 -15.987 8.938 0.871 411 HG13 ILE 74 HG13 ILE 74 -15.816 9.939 2.309 412 HG21 ILE 74 HG21 ILE 74 -14.888 6.784 1.038 413 HG22 ILE 74 HG22 ILE 74 -14.388 6.187 2.620 414 HG23 ILE 74 HG23 ILE 74 -16.001 5.821 2.009 415 HD11 ILE 74 HD11 ILE 74 -13.407 8.945 2.356 416 HD12 ILE 74 HD12 ILE 74 -13.723 8.630 0.650 417 HD13 ILE 74 HD13 ILE 74 -13.806 10.278 1.273 418 H SER 75 H SER 75 -19.107 5.972 2.858 419 HA SER 75 HA SER 75 -18.217 4.623 5.323 420 HB2 SER 75 HB2 SER 75 -21.006 4.853 4.168 421 HB3 SER 75 HB3 SER 75 -20.582 3.895 5.586 422 HG SER 75 HG SER 75 -21.318 6.330 5.653 423 H ASP 76 H ASP 76 -18.037 4.307 2.125 424 HA ASP 76 HA ASP 76 -18.822 1.518 1.908 425 HB2 ASP 76 HB2 ASP 76 -18.133 3.684 0.051 426 HB3 ASP 76 HB3 ASP 76 -17.483 2.114 -0.416 427 HA PRO 77 HA PRO 77 -14.902 -0.232 2.827 428 HB2 PRO 77 HB2 PRO 77 -14.977 -2.456 1.271 429 HB3 PRO 77 HB3 PRO 77 -15.943 -2.279 2.741 430 HG2 PRO 77 HG2 PRO 77 -16.751 -1.892 -0.116 431 HG3 PRO 77 HG3 PRO 77 -17.629 -2.702 1.196 432 HD2 PRO 77 HD2 PRO 77 -18.203 -0.178 0.399 433 HD3 PRO 77 HD3 PRO 77 -18.392 -0.716 2.081 434 H GLN 78 H GLN 78 -15.694 -0.300 -0.650 435 HA GLN 78 HA GLN 78 -12.954 -0.330 -1.457 436 HB2 GLN 78 HB2 GLN 78 -15.434 0.318 -3.062 437 HB3 GLN 78 HB3 GLN 78 -13.840 -0.017 -3.727 438 HG2 GLN 78 HG2 GLN 78 -14.134 -2.249 -2.338 439 HG3 GLN 78 HG3 GLN 78 -15.841 -1.866 -2.563 440 HE21 GLN 78 HE21 GLN 78 -16.076 -3.719 -3.854 441 HE22 GLN 78 HE22 GLN 78 -15.518 -3.754 -5.489 442 H HIS 79 H HIS 79 -14.914 2.078 -0.237 443 HA HIS 79 HA HIS 79 -13.460 4.204 -1.656 444 HB2 HIS 79 HB2 HIS 79 -16.008 4.313 -0.031 445 HB3 HIS 79 HB3 HIS 79 -15.216 5.719 -0.735 446 HD1 HIS 79 HD1 HIS 79 -17.788 5.718 -1.836 447 HD2 HIS 79 HD2 HIS 79 -15.006 3.002 -3.300 448 HE1 HIS 79 HE1 HIS 79 -18.652 5.021 -4.091 449 H ARG 80 H ARG 80 -13.702 2.573 1.323 450 HA ARG 80 HA ARG 80 -12.591 4.759 2.884 451 HB2 ARG 80 HB2 ARG 80 -13.885 2.198 3.447 452 HB3 ARG 80 HB3 ARG 80 -12.494 2.509 4.478 453 HG2 ARG 80 HG2 ARG 80 -13.635 4.855 4.768 454 HG3 ARG 80 HG3 ARG 80 -15.080 3.961 4.291 455 HD2 ARG 80 HD2 ARG 80 -13.250 3.362 6.611 456 HD3 ARG 80 HD3 ARG 80 -14.907 3.963 6.692 457 HE ARG 80 HE ARG 80 -14.059 1.241 6.225 458 HH11 ARG 80 HH11 ARG 80 -16.645 3.559 5.975 459 HH12 ARG 80 HH12 ARG 80 -17.892 2.357 5.936 460 HH21 ARG 80 HH21 ARG 80 -15.692 -0.350 6.175 461 HH22 ARG 80 HH22 ARG 80 -17.349 0.134 6.051 462 H ARG 81 H ARG 81 -11.622 1.553 1.722 463 HA ARG 81 HA ARG 81 -9.006 1.681 2.853 464 HB2 ARG 81 HB2 ARG 81 -10.532 -0.174 1.160 465 HB3 ARG 81 HB3 ARG 81 -8.806 -0.154 0.831 466 HG2 ARG 81 HG2 ARG 81 -9.399 -1.875 2.453 467 HG3 ARG 81 HG3 ARG 81 -8.333 -0.658 3.159 468 HD2 ARG 81 HD2 ARG 81 -9.923 0.102 4.579 469 HD3 ARG 81 HD3 ARG 81 -11.230 -0.164 3.426 470 HE ARG 81 HE ARG 81 -11.595 -2.199 4.392 471 HH11 ARG 81 HH11 ARG 81 -8.393 -1.123 5.234 472 HH12 ARG 81 HH12 ARG 81 -8.099 -2.435 6.326 473 HH21 ARG 81 HH21 ARG 81 -11.219 -3.931 5.826 474 HH22 ARG 81 HH22 ARG 81 -9.706 -4.032 6.662 475 H LYS 82 H LYS 82 -10.401 2.466 -0.279 476 HA LYS 82 HA LYS 82 -7.966 2.848 -1.666 477 HB2 LYS 82 HB2 LYS 82 -10.520 2.721 -2.454 478 HB3 LYS 82 HB3 LYS 82 -10.346 4.470 -2.412 479 HG2 LYS 82 HG2 LYS 82 -8.930 4.513 -4.180 480 HG3 LYS 82 HG3 LYS 82 -8.224 2.942 -3.796 481 HD2 LYS 82 HD2 LYS 82 -10.584 2.038 -4.448 482 HD3 LYS 82 HD3 LYS 82 -10.733 3.583 -5.289 483 HE2 LYS 82 HE2 LYS 82 -8.761 3.113 -6.594 484 HE3 LYS 82 HE3 LYS 82 -8.462 1.637 -5.678 485 HZ1 LYS 82 HZ1 LYS 82 -10.911 2.088 -7.289 486 HZ2 LYS 82 HZ2 LYS 82 -10.393 0.639 -6.589 487 HZ3 LYS 82 HZ3 LYS 82 -9.534 1.304 -7.885 488 H LEU 83 H LEU 83 -9.998 4.989 0.259 489 HA LEU 83 HA LEU 83 -8.467 7.340 -0.355 490 HB2 LEU 83 HB2 LEU 83 -10.963 6.865 0.679 491 HB3 LEU 83 HB3 LEU 83 -10.060 7.400 2.094 492 HG LEU 83 HG LEU 83 -11.274 9.231 0.984 493 HD11 LEU 83 HD11 LEU 83 -8.768 9.271 2.016 494 HD12 LEU 83 HD12 LEU 83 -9.672 10.703 1.524 495 HD13 LEU 83 HD13 LEU 83 -8.494 9.984 0.427 496 HD21 LEU 83 HD21 LEU 83 -11.257 9.525 -1.217 497 HD22 LEU 83 HD22 LEU 83 -10.340 8.025 -1.358 498 HD23 LEU 83 HD23 LEU 83 -9.494 9.569 -1.251 499 H LEU 84 H LEU 84 -8.188 4.747 1.861 500 HA LEU 84 HA LEU 84 -6.470 6.245 3.681 501 HB2 LEU 84 HB2 LEU 84 -8.044 3.821 3.815 502 HB3 LEU 84 HB3 LEU 84 -6.402 3.558 4.401 503 HG LEU 84 HG LEU 84 -6.666 5.132 6.141 504 HD11 LEU 84 HD11 LEU 84 -8.815 6.444 6.346 505 HD12 LEU 84 HD12 LEU 84 -9.141 6.001 4.671 506 HD13 LEU 84 HD13 LEU 84 -7.712 6.955 5.069 507 HD21 LEU 84 HD21 LEU 84 -9.245 3.591 5.859 508 HD22 LEU 84 HD22 LEU 84 -8.630 4.304 7.350 509 HD23 LEU 84 HD23 LEU 84 -7.745 2.993 6.569 510 H GLN 85 H GLN 85 -6.266 4.083 1.006 511 HA GLN 85 HA GLN 85 -3.557 3.247 1.540 512 HB2 GLN 85 HB2 GLN 85 -5.453 2.025 0.188 513 HB3 GLN 85 HB3 GLN 85 -4.840 2.989 -1.149 514 HG2 GLN 85 HG2 GLN 85 -3.269 1.477 -1.482 515 HG3 GLN 85 HG3 GLN 85 -2.599 1.851 0.104 516 HE21 GLN 85 HE21 GLN 85 -5.576 0.230 -0.937 517 HE22 GLN 85 HE22 GLN 85 -5.295 -1.228 -0.056 518 H ALA 86 H ALA 86 -5.186 5.553 -0.582 519 HA ALA 86 HA ALA 86 -2.774 6.371 -1.900 520 HB1 ALA 86 HB1 ALA 86 -5.149 8.144 -1.898 521 HB2 ALA 86 HB2 ALA 86 -4.100 7.653 -3.228 522 HB3 ALA 86 HB3 ALA 86 -5.327 6.543 -2.618 523 H ALA 87 H ALA 87 -4.299 7.145 1.062 524 HA ALA 87 HA ALA 87 -3.088 9.768 1.304 525 HB1 ALA 87 HB1 ALA 87 -4.126 9.814 3.516 526 HB2 ALA 87 HB2 ALA 87 -5.293 9.375 2.268 527 HB3 ALA 87 HB3 ALA 87 -4.619 8.131 3.323 528 H ARG 88 H ARG 88 -2.655 6.530 2.669 529 HA ARG 88 HA ARG 88 -0.534 7.286 4.420 530 HB2 ARG 88 HB2 ARG 88 -2.065 4.937 3.875 531 HB3 ARG 88 HB3 ARG 88 -0.359 4.519 3.791 532 HG2 ARG 88 HG2 ARG 88 -0.320 4.397 5.998 533 HG3 ARG 88 HG3 ARG 88 -0.666 6.125 6.074 534 HD2 ARG 88 HD2 ARG 88 -2.850 5.802 6.570 535 HD3 ARG 88 HD3 ARG 88 -2.974 4.360 5.564 536 HE ARG 88 HE ARG 88 -2.497 4.438 8.356 537 HH11 ARG 88 HH11 ARG 88 -1.642 2.702 5.463 538 HH12 ARG 88 HH12 ARG 88 -1.310 1.218 6.294 539 HH21 ARG 88 HH21 ARG 88 -2.063 2.490 9.463 540 HH22 ARG 88 HH22 ARG 88 -1.551 1.100 8.569 541 H SER 89 H SER 89 -0.740 6.385 1.085 542 HA SER 89 HA SER 89 1.974 5.588 0.750 543 HB2 SER 89 HB2 SER 89 1.512 5.750 -1.653 544 HB3 SER 89 HB3 SER 89 0.201 4.913 -0.823 545 HG SER 89 HG SER 89 -0.489 6.543 -2.348 546 H LEU 90 H LEU 90 0.567 8.567 1.335 547 HA LEU 90 HA LEU 90 2.450 10.140 -0.206 548 HB2 LEU 90 HB2 LEU 90 0.101 10.691 1.518 549 HB3 LEU 90 HB3 LEU 90 1.309 11.965 1.362 550 HG LEU 90 HG LEU 90 0.604 10.944 -1.233 551 HD11 LEU 90 HD11 LEU 90 -1.650 11.084 -1.334 552 HD12 LEU 90 HD12 LEU 90 -1.746 12.290 -0.051 553 HD13 LEU 90 HD13 LEU 90 -1.520 10.588 0.353 554 HD21 LEU 90 HD21 LEU 90 -0.256 13.478 -1.211 555 HD22 LEU 90 HD22 LEU 90 1.447 13.041 -1.352 556 HD23 LEU 90 HD23 LEU 90 0.784 13.516 0.213 557 HA PRO 91 HA PRO 91 5.559 10.700 2.839 558 HB2 PRO 91 HB2 PRO 91 6.190 13.327 2.560 559 HB3 PRO 91 HB3 PRO 91 6.623 12.102 1.361 560 HG2 PRO 91 HG2 PRO 91 4.340 14.038 1.350 561 HG3 PRO 91 HG3 PRO 91 5.418 13.571 0.021 562 HD2 PRO 91 HD2 PRO 91 2.925 12.552 0.302 563 HD3 PRO 91 HD3 PRO 91 4.266 11.619 -0.395 564 H LYS 92 H LYS 92 6.072 11.634 4.881 565 HA LYS 92 HA LYS 92 3.763 12.330 6.428 566 HB2 LYS 92 HB2 LYS 92 6.694 12.184 7.156 567 HB3 LYS 92 HB3 LYS 92 5.400 12.472 8.312 568 HG2 LYS 92 HG2 LYS 92 5.253 10.280 8.577 569 HG3 LYS 92 HG3 LYS 92 4.635 10.177 6.927 570 HD2 LYS 92 HD2 LYS 92 6.676 9.558 6.057 571 HD3 LYS 92 HD3 LYS 92 7.583 10.317 7.368 572 HE2 LYS 92 HE2 LYS 92 5.821 8.117 8.193 573 HE3 LYS 92 HE3 LYS 92 7.144 7.645 7.128 574 HZ1 LYS 92 HZ1 LYS 92 8.399 9.235 8.880 575 HZ2 LYS 92 HZ2 LYS 92 8.297 7.553 9.031 576 HZ3 LYS 92 HZ3 LYS 92 7.217 8.546 9.875 577 H VAL 93 H VAL 93 3.269 14.262 7.418 578 HA VAL 93 HA VAL 93 4.028 16.634 6.076 579 HB VAL 93 HB VAL 93 1.843 16.316 7.225 580 HG11 VAL 93 HG11 VAL 93 1.696 16.635 9.635 581 HG12 VAL 93 HG12 VAL 93 2.688 15.227 9.252 582 HG13 VAL 93 HG13 VAL 93 3.453 16.741 9.740 583 HG21 VAL 93 HG21 VAL 93 2.768 18.553 6.605 584 HG22 VAL 93 HG22 VAL 93 1.620 18.587 7.943 585 HG23 VAL 93 HG23 VAL 93 3.350 18.710 8.263 586 H LYS 94 H LYS 94 5.186 18.441 6.851 587 HA LYS 94 HA LYS 94 7.650 17.937 7.998 588 HB2 LYS 94 HB2 LYS 94 6.026 20.414 7.592 589 HB3 LYS 94 HB3 LYS 94 7.491 20.512 8.560 590 HG2 LYS 94 HG2 LYS 94 8.855 19.881 6.751 591 HG3 LYS 94 HG3 LYS 94 7.472 19.338 5.798 592 HD2 LYS 94 HD2 LYS 94 6.743 21.552 5.417 593 HD3 LYS 94 HD3 LYS 94 7.807 22.198 6.668 594 HE2 LYS 94 HE2 LYS 94 9.651 21.083 5.098 595 HE3 LYS 94 HE3 LYS 94 8.412 21.386 3.881 596 HZ1 LYS 94 HZ1 LYS 94 8.369 23.732 4.856 597 HZ2 LYS 94 HZ2 LYS 94 9.685 23.309 3.880 598 HZ3 LYS 94 HZ3 LYS 94 9.855 23.336 5.563 599 H ALA 95 H ALA 95 4.774 19.333 9.570 600 HA ALA 95 HA ALA 95 5.788 19.706 12.110 601 HB1 ALA 95 HB1 ALA 95 3.244 18.954 12.668 602 HB2 ALA 95 HB2 ALA 95 3.708 20.554 12.088 603 HB3 ALA 95 HB3 ALA 95 3.114 19.342 10.952 604 H LEU 96 H LEU 96 6.335 18.430 13.776 605 HA LEU 96 HA LEU 96 6.840 15.715 13.456 606 HB2 LEU 96 HB2 LEU 96 6.400 17.248 16.016 607 HB3 LEU 96 HB3 LEU 96 7.146 15.655 15.897 608 HG LEU 96 HG LEU 96 8.283 18.140 14.624 609 HD11 LEU 96 HD11 LEU 96 8.870 16.865 17.287 610 HD12 LEU 96 HD12 LEU 96 8.322 18.512 16.976 611 HD13 LEU 96 HD13 LEU 96 9.943 18.016 16.490 612 HD21 LEU 96 HD21 LEU 96 9.933 16.850 13.831 613 HD22 LEU 96 HD22 LEU 96 8.799 15.520 14.071 614 HD23 LEU 96 HD23 LEU 96 10.012 15.878 15.300 615 H GLY 97 H GLY 97 5.927 13.947 14.879 616 HA2 GLY 97 HA2 GLY 97 3.440 13.937 16.051 617 HA3 GLY 97 HA3 GLY 97 3.130 13.705 14.337 618 H TYR 98 H TYR 98 2.247 11.632 14.919 619 HA TYR 98 HA TYR 98 3.796 9.618 16.167 620 HB2 TYR 98 HB2 TYR 98 1.291 9.626 15.960 621 HB3 TYR 98 HB3 TYR 98 1.486 9.213 14.260 622 HD1 TYR 98 HD1 TYR 98 2.798 8.007 17.555 623 HD2 TYR 98 HD2 TYR 98 1.200 6.991 13.744 624 HE1 TYR 98 HE1 TYR 98 2.903 5.624 18.153 625 HE2 TYR 98 HE2 TYR 98 1.299 4.604 14.334 626 HH TYR 98 HH TYR 98 1.302 3.236 16.476 627 H ASP 99 H ASP 99 5.808 9.525 15.169 628 HA ASP 99 HA ASP 99 5.793 8.360 12.461 629 HB2 ASP 99 HB2 ASP 99 7.321 10.618 13.561 630 HB3 ASP 99 HB3 ASP 99 8.303 9.435 12.701 631 H GLY 100 H GLY 100 8.075 7.286 12.066 632 HA2 GLY 100 HA2 GLY 100 9.876 6.038 13.112 633 HA3 GLY 100 HA3 GLY 100 8.811 5.761 14.482 634 H ASN 101 H ASN 101 9.093 5.093 11.001 635 HA ASN 101 HA ASN 101 8.434 3.316 9.739 636 HB2 ASN 101 HB2 ASN 101 9.889 2.343 11.930 637 HB3 ASN 101 HB3 ASN 101 8.498 1.272 11.788 638 HD21 ASN 101 HD21 ASN 101 10.850 2.889 9.675 639 HD22 ASN 101 HD22 ASN 101 11.133 1.520 8.661 Start of MODEL 8 1 H MET 21 H MET 21 8.431 0.515 -6.449 2 HA MET 21 HA MET 21 6.676 0.480 -7.920 3 HB2 MET 21 HB2 MET 21 6.760 -2.444 -7.155 4 HB3 MET 21 HB3 MET 21 6.036 -1.786 -8.615 5 HG2 MET 21 HG2 MET 21 8.257 -0.952 -9.296 6 HG3 MET 21 HG3 MET 21 8.950 -1.725 -7.873 7 HE1 MET 21 HE1 MET 21 9.578 -3.609 -11.520 8 HE2 MET 21 HE2 MET 21 9.314 -1.904 -11.155 9 HE3 MET 21 HE3 MET 21 10.524 -2.822 -10.256 10 H ILE 22 H ILE 22 5.123 1.697 -6.829 11 HA ILE 22 HA ILE 22 2.858 0.131 -5.842 12 HB ILE 22 HB ILE 22 2.492 1.675 -3.964 13 HG12 ILE 22 HG12 ILE 22 5.237 2.753 -4.637 14 HG13 ILE 22 HG13 ILE 22 3.725 3.603 -4.932 15 HG21 ILE 22 HG21 ILE 22 4.324 0.855 -2.525 16 HG22 ILE 22 HG22 ILE 22 3.623 -0.412 -3.529 17 HG23 ILE 22 HG23 ILE 22 5.175 0.301 -3.967 18 HD11 ILE 22 HD11 ILE 22 5.117 3.043 -2.362 19 HD12 ILE 22 HD12 ILE 22 4.406 4.542 -2.960 20 HD13 ILE 22 HD13 ILE 22 3.365 3.244 -2.375 21 H SER 23 H SER 23 3.507 1.687 -8.286 22 HA SER 23 HA SER 23 2.538 3.179 -9.707 23 HB2 SER 23 HB2 SER 23 -0.028 3.275 -8.260 24 HB3 SER 23 HB3 SER 23 0.307 2.846 -9.938 25 HG SER 23 HG SER 23 0.006 0.874 -9.296 26 H GLY 24 H GLY 24 0.783 5.206 -9.531 27 HA2 GLY 24 HA2 GLY 24 0.250 7.189 -8.318 28 HA3 GLY 24 HA3 GLY 24 1.612 6.866 -7.254 29 H LEU 25 H LEU 25 0.618 8.149 -10.345 30 HA LEU 25 HA LEU 25 3.332 9.211 -10.758 31 HB2 LEU 25 HB2 LEU 25 1.071 8.712 -12.678 32 HB3 LEU 25 HB3 LEU 25 2.506 9.641 -13.104 33 HG LEU 25 HG LEU 25 3.755 7.459 -12.334 34 HD11 LEU 25 HD11 LEU 25 2.452 5.447 -12.948 35 HD12 LEU 25 HD12 LEU 25 1.008 6.452 -13.056 36 HD13 LEU 25 HD13 LEU 25 1.836 6.263 -11.511 37 HD21 LEU 25 HD21 LEU 25 2.654 6.800 -14.891 38 HD22 LEU 25 HD22 LEU 25 4.252 7.432 -14.495 39 HD23 LEU 25 HD23 LEU 25 2.912 8.542 -14.791 40 H ARG 26 H ARG 26 1.212 10.284 -8.970 41 HA ARG 26 HA ARG 26 0.498 12.793 -10.281 42 HB2 ARG 26 HB2 ARG 26 -0.213 11.722 -7.544 43 HB3 ARG 26 HB3 ARG 26 -0.812 13.227 -8.230 44 HG2 ARG 26 HG2 ARG 26 -2.551 12.000 -8.896 45 HG3 ARG 26 HG3 ARG 26 -1.471 11.433 -10.171 46 HD2 ARG 26 HD2 ARG 26 -0.840 9.824 -8.017 47 HD3 ARG 26 HD3 ARG 26 -2.590 10.006 -7.899 48 HE ARG 26 HE ARG 26 -1.750 9.373 -10.551 49 HH11 ARG 26 HH11 ARG 26 -2.408 8.013 -7.415 50 HH12 ARG 26 HH12 ARG 26 -2.786 6.439 -8.031 51 HH21 ARG 26 HH21 ARG 26 -2.245 7.304 -11.376 52 HH22 ARG 26 HH22 ARG 26 -2.692 6.037 -10.285 53 H THR 27 H THR 27 2.544 11.538 -7.723 54 HA THR 27 HA THR 27 4.164 12.487 -6.430 55 HB THR 27 HB THR 27 4.876 14.759 -8.023 56 HG1 THR 27 HG1 THR 27 4.024 14.005 -9.852 57 HG21 THR 27 HG21 THR 27 6.934 13.877 -7.775 58 HG22 THR 27 HG22 THR 27 6.425 12.285 -8.337 59 HG23 THR 27 HG23 THR 27 6.139 12.762 -6.664 60 H LEU 28 H LEU 28 5.033 14.937 -5.837 61 HA LEU 28 HA LEU 28 2.855 16.045 -4.346 62 HB2 LEU 28 HB2 LEU 28 5.763 16.674 -4.641 63 HB3 LEU 28 HB3 LEU 28 4.693 17.818 -3.834 64 HG LEU 28 HG LEU 28 5.847 16.439 -2.210 65 HD11 LEU 28 HD11 LEU 28 3.008 15.470 -2.292 66 HD12 LEU 28 HD12 LEU 28 3.414 17.148 -1.931 67 HD13 LEU 28 HD13 LEU 28 4.005 15.854 -0.888 68 HD21 LEU 28 HD21 LEU 28 6.099 14.211 -2.340 69 HD22 LEU 28 HD22 LEU 28 5.721 14.447 -4.046 70 HD23 LEU 28 HD23 LEU 28 4.454 13.954 -2.922 71 H GLU 29 H GLU 29 1.512 16.572 -6.236 72 HA GLU 29 HA GLU 29 1.502 19.318 -6.778 73 HB2 GLU 29 HB2 GLU 29 3.384 18.062 -8.342 74 HB3 GLU 29 HB3 GLU 29 1.975 18.084 -9.393 75 HG2 GLU 29 HG2 GLU 29 2.884 20.078 -9.960 76 HG3 GLU 29 HG3 GLU 29 1.874 20.604 -8.615 77 H GLN 30 H GLN 30 -0.305 17.278 -5.979 78 HA GLN 30 HA GLN 30 -2.288 17.490 -8.143 79 HB2 GLN 30 HB2 GLN 30 -3.090 15.296 -7.734 80 HB3 GLN 30 HB3 GLN 30 -1.340 15.162 -7.851 81 HG2 GLN 30 HG2 GLN 30 -1.238 15.205 -5.365 82 HG3 GLN 30 HG3 GLN 30 -3.000 15.147 -5.343 83 HE21 GLN 30 HE21 GLN 30 -0.380 13.314 -4.948 84 HE22 GLN 30 HE22 GLN 30 -0.982 11.780 -5.464 85 H SER 31 H SER 31 -4.458 17.732 -7.501 86 HA SER 31 HA SER 31 -4.750 18.787 -4.776 87 HB2 SER 31 HB2 SER 31 -5.314 20.103 -6.995 88 HB3 SER 31 HB3 SER 31 -6.826 19.201 -6.892 89 HG SER 31 HG SER 31 -6.679 21.339 -5.790 90 H VAL 32 H VAL 32 -7.256 18.644 -4.136 91 HA VAL 32 HA VAL 32 -7.735 15.991 -3.421 92 HB VAL 32 HB VAL 32 -9.712 18.269 -3.594 93 HG11 VAL 32 HG11 VAL 32 -9.899 15.635 -2.135 94 HG12 VAL 32 HG12 VAL 32 -11.042 16.971 -1.984 95 HG13 VAL 32 HG13 VAL 32 -10.864 16.132 -3.525 96 HG21 VAL 32 HG21 VAL 32 -8.819 17.449 -0.958 97 HG22 VAL 32 HG22 VAL 32 -7.487 17.999 -1.973 98 HG23 VAL 32 HG23 VAL 32 -8.869 19.055 -1.684 99 H GLY 33 H GLY 33 -9.447 17.953 -5.866 100 HA2 GLY 33 HA2 GLY 33 -11.153 15.998 -6.834 101 HA3 GLY 33 HA3 GLY 33 -10.539 17.338 -7.790 102 H GLU 34 H GLU 34 -8.105 16.960 -8.419 103 HA GLU 34 HA GLU 34 -8.012 14.932 -10.288 104 HB2 GLU 34 HB2 GLU 34 -6.481 16.762 -10.450 105 HB3 GLU 34 HB3 GLU 34 -5.773 16.388 -8.886 106 HG2 GLU 34 HG2 GLU 34 -4.312 15.730 -10.719 107 HG3 GLU 34 HG3 GLU 34 -4.831 14.338 -9.770 108 H TRP 35 H TRP 35 -6.550 14.951 -7.044 109 HA TRP 35 HA TRP 35 -5.341 12.474 -7.069 110 HB2 TRP 35 HB2 TRP 35 -4.997 13.945 -5.209 111 HB3 TRP 35 HB3 TRP 35 -6.712 13.934 -4.807 112 HD1 TRP 35 HD1 TRP 35 -4.614 10.771 -5.499 113 HE1 TRP 35 HE1 TRP 35 -4.623 9.321 -3.372 114 HE3 TRP 35 HE3 TRP 35 -7.077 13.960 -2.352 115 HZ2 TRP 35 HZ2 TRP 35 -5.552 9.504 -0.713 116 HZ3 TRP 35 HZ3 TRP 35 -7.487 13.246 -0.033 117 HH2 TRP 35 HH2 TRP 35 -6.740 11.064 0.768 118 H LEU 36 H LEU 36 -8.644 13.189 -5.924 119 HA LEU 36 HA LEU 36 -9.364 10.493 -5.515 120 HB2 LEU 36 HB2 LEU 36 -11.102 12.896 -6.048 121 HB3 LEU 36 HB3 LEU 36 -11.680 11.337 -5.463 122 HG LEU 36 HG LEU 36 -9.630 12.855 -3.899 123 HD11 LEU 36 HD11 LEU 36 -11.472 14.426 -4.413 124 HD12 LEU 36 HD12 LEU 36 -11.352 14.028 -2.699 125 HD13 LEU 36 HD13 LEU 36 -12.605 13.283 -3.690 126 HD21 LEU 36 HD21 LEU 36 -9.894 11.063 -2.612 127 HD22 LEU 36 HD22 LEU 36 -11.257 10.493 -3.575 128 HD23 LEU 36 HD23 LEU 36 -11.524 11.640 -2.261 129 H GLU 37 H GLU 37 -9.381 12.545 -8.327 130 HA GLU 37 HA GLU 37 -11.151 11.022 -9.922 131 HB2 GLU 37 HB2 GLU 37 -9.620 13.379 -10.211 132 HB3 GLU 37 HB3 GLU 37 -9.142 12.307 -11.520 133 HG2 GLU 37 HG2 GLU 37 -11.453 12.093 -12.222 134 HG3 GLU 37 HG3 GLU 37 -11.971 13.109 -10.878 135 H SER 38 H SER 38 -7.764 10.731 -9.162 136 HA SER 38 HA SER 38 -7.077 8.967 -11.285 137 HB2 SER 38 HB2 SER 38 -5.704 10.299 -9.236 138 HB3 SER 38 HB3 SER 38 -5.454 8.582 -8.916 139 HG SER 38 HG SER 38 -4.592 10.145 -11.044 140 H ILE 39 H ILE 39 -8.606 8.558 -8.210 141 HA ILE 39 HA ILE 39 -8.305 5.643 -8.362 142 HB ILE 39 HB ILE 39 -9.152 5.571 -6.080 143 HG12 ILE 39 HG12 ILE 39 -9.238 8.592 -6.196 144 HG13 ILE 39 HG13 ILE 39 -10.660 7.561 -6.321 145 HG21 ILE 39 HG21 ILE 39 -7.010 5.790 -5.542 146 HG22 ILE 39 HG22 ILE 39 -6.735 6.872 -6.905 147 HG23 ILE 39 HG23 ILE 39 -7.273 7.524 -5.358 148 HD11 ILE 39 HD11 ILE 39 -10.452 6.832 -4.102 149 HD12 ILE 39 HD12 ILE 39 -8.809 7.459 -3.965 150 HD13 ILE 39 HD13 ILE 39 -10.172 8.572 -4.058 151 H GLY 40 H GLY 40 -10.547 8.169 -8.918 152 HA2 GLY 40 HA2 GLY 40 -12.569 7.869 -10.096 153 HA3 GLY 40 HA3 GLY 40 -12.592 6.188 -9.582 154 H LEU 41 H LEU 41 -11.963 8.672 -7.251 155 HA LEU 41 HA LEU 41 -14.678 8.294 -6.168 156 HB2 LEU 41 HB2 LEU 41 -12.492 7.424 -4.954 157 HB3 LEU 41 HB3 LEU 41 -12.420 9.099 -4.408 158 HG LEU 41 HG LEU 41 -14.707 8.819 -3.458 159 HD11 LEU 41 HD11 LEU 41 -14.930 6.660 -5.045 160 HD12 LEU 41 HD12 LEU 41 -15.896 6.908 -3.591 161 HD13 LEU 41 HD13 LEU 41 -14.462 5.883 -3.532 162 HD21 LEU 41 HD21 LEU 41 -13.382 8.594 -1.674 163 HD22 LEU 41 HD22 LEU 41 -12.239 7.568 -2.540 164 HD23 LEU 41 HD23 LEU 41 -13.688 6.863 -1.822 165 H GLN 42 H GLN 42 -13.201 10.412 -7.918 166 HA GLN 42 HA GLN 42 -13.032 12.822 -6.552 167 HB2 GLN 42 HB2 GLN 42 -12.466 12.207 -9.023 168 HB3 GLN 42 HB3 GLN 42 -14.119 12.712 -9.344 169 HG2 GLN 42 HG2 GLN 42 -12.722 14.649 -7.723 170 HG3 GLN 42 HG3 GLN 42 -11.870 14.326 -9.232 171 HE21 GLN 42 HE21 GLN 42 -12.319 16.351 -10.068 172 HE22 GLN 42 HE22 GLN 42 -13.900 16.804 -10.600 173 H GLN 43 H GLN 43 -15.810 10.999 -7.484 174 HA GLN 43 HA GLN 43 -17.737 13.052 -7.521 175 HB2 GLN 43 HB2 GLN 43 -19.381 11.262 -7.203 176 HB3 GLN 43 HB3 GLN 43 -18.185 10.822 -8.414 177 HG2 GLN 43 HG2 GLN 43 -17.165 9.872 -6.000 178 HG3 GLN 43 HG3 GLN 43 -18.887 9.496 -5.964 179 HE21 GLN 43 HE21 GLN 43 -16.589 7.716 -6.191 180 HE22 GLN 43 HE22 GLN 43 -16.816 6.825 -7.654 181 H TYR 44 H TYR 44 -16.297 11.206 -4.913 182 HA TYR 44 HA TYR 44 -18.128 12.315 -2.947 183 HB2 TYR 44 HB2 TYR 44 -16.366 10.047 -3.087 184 HB3 TYR 44 HB3 TYR 44 -15.990 10.997 -1.653 185 HD1 TYR 44 HD2 TYR 44 -18.593 11.996 -0.815 186 HD2 TYR 44 HD1 TYR 44 -17.534 8.178 -2.366 187 HE1 TYR 44 HE2 TYR 44 -20.511 10.994 0.355 188 HE2 TYR 44 HE1 TYR 44 -19.450 7.166 -1.202 189 HH TYR 44 HH TYR 44 -21.216 7.522 0.090 190 H GLU 45 H GLU 45 -15.784 13.690 -4.571 191 HA GLU 45 HA GLU 45 -13.879 14.646 -2.795 192 HB2 GLU 45 HB2 GLU 45 -13.619 15.057 -5.136 193 HB3 GLU 45 HB3 GLU 45 -15.137 15.942 -5.212 194 HG2 GLU 45 HG2 GLU 45 -14.225 17.763 -3.977 195 HG3 GLU 45 HG3 GLU 45 -12.758 16.854 -3.618 196 H SER 46 H SER 46 -17.080 15.974 -3.561 197 HA SER 46 HA SER 46 -17.015 18.307 -2.105 198 HB2 SER 46 HB2 SER 46 -18.901 17.397 -3.576 199 HB3 SER 46 HB3 SER 46 -19.439 16.509 -2.150 200 HG SER 46 HG SER 46 -18.959 19.277 -2.001 201 H LYS 47 H LYS 47 -17.594 15.024 -0.953 202 HA LYS 47 HA LYS 47 -18.291 15.727 1.700 203 HB2 LYS 47 HB2 LYS 47 -17.500 13.235 0.284 204 HB3 LYS 47 HB3 LYS 47 -17.352 13.245 2.035 205 HG2 LYS 47 HG2 LYS 47 -19.485 12.333 1.420 206 HG3 LYS 47 HG3 LYS 47 -19.726 13.898 2.201 207 HD2 LYS 47 HD2 LYS 47 -19.417 14.101 -0.691 208 HD3 LYS 47 HD3 LYS 47 -20.796 13.109 -0.213 209 HE2 LYS 47 HE2 LYS 47 -20.362 15.732 1.136 210 HE3 LYS 47 HE3 LYS 47 -21.030 15.712 -0.495 211 HZ1 LYS 47 HZ1 LYS 47 -22.429 13.803 0.925 212 HZ2 LYS 47 HZ2 LYS 47 -22.992 15.315 0.421 213 HZ3 LYS 47 HZ3 LYS 47 -22.316 15.136 1.961 214 H LEU 48 H LEU 48 -15.229 15.018 0.112 215 HA LEU 48 HA LEU 48 -13.722 15.099 2.565 216 HB2 LEU 48 HB2 LEU 48 -13.230 13.875 0.289 217 HB3 LEU 48 HB3 LEU 48 -12.454 15.405 -0.114 218 HG LEU 48 HG LEU 48 -11.633 14.300 2.472 219 HD11 LEU 48 HD11 LEU 48 -11.891 12.190 1.353 220 HD12 LEU 48 HD12 LEU 48 -10.175 12.583 1.443 221 HD13 LEU 48 HD13 LEU 48 -11.051 12.797 -0.074 222 HD21 LEU 48 HD21 LEU 48 -10.499 16.187 1.548 223 HD22 LEU 48 HD22 LEU 48 -10.229 15.348 0.021 224 HD23 LEU 48 HD23 LEU 48 -9.396 14.812 1.482 225 H LEU 49 H LEU 49 -15.141 17.430 0.692 226 HA LEU 49 HA LEU 49 -13.078 19.437 1.278 227 HB2 LEU 49 HB2 LEU 49 -13.701 19.417 -1.025 228 HB3 LEU 49 HB3 LEU 49 -15.415 19.446 -0.618 229 HG LEU 49 HG LEU 49 -15.267 21.728 0.106 230 HD11 LEU 49 HD11 LEU 49 -13.062 21.636 1.146 231 HD12 LEU 49 HD12 LEU 49 -13.181 22.989 0.022 232 HD13 LEU 49 HD13 LEU 49 -12.310 21.530 -0.446 233 HD21 LEU 49 HD21 LEU 49 -14.074 21.063 -2.553 234 HD22 LEU 49 HD22 LEU 49 -14.241 22.746 -2.052 235 HD23 LEU 49 HD23 LEU 49 -15.667 21.715 -2.170 236 H LEU 50 H LEU 50 -16.499 18.692 1.708 237 HA LEU 50 HA LEU 50 -17.185 21.082 3.062 238 HB2 LEU 50 HB2 LEU 50 -18.498 18.761 2.188 239 HB3 LEU 50 HB3 LEU 50 -18.771 18.848 3.927 240 HG LEU 50 HG LEU 50 -19.522 20.906 1.856 241 HD11 LEU 50 HD11 LEU 50 -20.937 18.834 2.154 242 HD12 LEU 50 HD12 LEU 50 -21.761 20.376 2.382 243 HD13 LEU 50 HD13 LEU 50 -21.285 19.416 3.782 244 HD21 LEU 50 HD21 LEU 50 -19.463 21.039 4.850 245 HD22 LEU 50 HD22 LEU 50 -20.614 21.992 3.913 246 HD23 LEU 50 HD23 LEU 50 -18.881 22.216 3.673 247 H ASN 51 H ASN 51 -15.603 18.175 4.051 248 HA ASN 51 HA ASN 51 -15.983 18.777 6.884 249 HB2 ASN 51 HB2 ASN 51 -15.830 16.392 5.519 250 HB3 ASN 51 HB3 ASN 51 -14.215 16.538 6.207 251 HD21 ASN 51 HD21 ASN 51 -17.579 16.111 6.857 252 HD22 ASN 51 HD22 ASN 51 -17.424 15.742 8.537 253 H GLY 52 H GLY 52 -14.282 20.345 4.914 254 HA2 GLY 52 HA2 GLY 52 -12.238 21.396 4.877 255 HA3 GLY 52 HA3 GLY 52 -12.289 21.200 6.622 256 H PHE 53 H PHE 53 -12.270 18.442 4.495 257 HA PHE 53 HA PHE 53 -9.632 17.720 5.549 258 HB2 PHE 53 HB2 PHE 53 -11.953 16.260 5.374 259 HB3 PHE 53 HB3 PHE 53 -11.057 15.705 3.963 260 HD1 PHE 53 HD1 PHE 53 -8.280 15.942 5.059 261 HD2 PHE 53 HD2 PHE 53 -11.856 14.373 6.754 262 HE1 PHE 53 HE1 PHE 53 -6.944 14.453 6.492 263 HE2 PHE 53 HE2 PHE 53 -10.526 12.883 8.190 264 HZ PHE 53 HZ PHE 53 -8.066 12.922 8.061 265 H ASP 54 H ASP 54 -10.624 19.392 3.042 266 HA ASP 54 HA ASP 54 -9.591 18.096 0.766 267 HB2 ASP 54 HB2 ASP 54 -9.962 20.083 -0.364 268 HB3 ASP 54 HB3 ASP 54 -11.065 20.251 0.998 269 H ASP 55 H ASP 55 -8.047 19.597 3.423 270 HA ASP 55 HA ASP 55 -5.681 20.545 2.320 271 HB2 ASP 55 HB2 ASP 55 -6.250 19.279 4.999 272 HB3 ASP 55 HB3 ASP 55 -4.680 19.961 4.585 273 H VAL 56 H VAL 56 -4.669 19.368 0.782 274 HA VAL 56 HA VAL 56 -4.372 16.552 0.844 275 HB VAL 56 HB VAL 56 -2.776 18.590 -0.715 276 HG11 VAL 56 HG11 VAL 56 -2.848 16.279 -2.188 277 HG12 VAL 56 HG12 VAL 56 -1.490 16.823 -1.201 278 HG13 VAL 56 HG13 VAL 56 -2.659 15.677 -0.542 279 HG21 VAL 56 HG21 VAL 56 -4.538 18.840 -2.045 280 HG22 VAL 56 HG22 VAL 56 -4.672 17.094 -2.260 281 HG23 VAL 56 HG23 VAL 56 -5.489 17.882 -0.910 282 H HIS 57 H HIS 57 -2.656 19.111 2.348 283 HA HIS 57 HA HIS 57 -0.257 17.515 2.773 284 HB2 HIS 57 HB2 HIS 57 -0.804 20.284 2.655 285 HB3 HIS 57 HB3 HIS 57 -0.287 19.947 4.303 286 HD1 HIS 57 HD1 HIS 57 0.954 18.833 0.872 287 HD2 HIS 57 HD2 HIS 57 2.372 20.317 4.483 288 HE1 HIS 57 HE1 HIS 57 3.447 18.998 0.596 289 H PHE 58 H PHE 58 -3.098 17.145 3.994 290 HA PHE 58 HA PHE 58 -2.171 16.863 6.777 291 HB2 PHE 58 HB2 PHE 58 -4.425 18.266 5.785 292 HB3 PHE 58 HB3 PHE 58 -5.033 16.840 6.619 293 HD1 PHE 58 HD2 PHE 58 -4.303 16.435 9.001 294 HD2 PHE 58 HD1 PHE 58 -3.658 20.123 6.977 295 HE1 PHE 58 HE2 PHE 58 -3.989 17.564 11.164 296 HE2 PHE 58 HE1 PHE 58 -3.343 21.258 9.137 297 HZ PHE 58 HZ PHE 58 -3.508 19.978 11.234 298 H LEU 59 H LEU 59 -3.133 15.261 4.001 299 HA LEU 59 HA LEU 59 -4.651 13.117 4.901 300 HB2 LEU 59 HB2 LEU 59 -2.483 12.882 2.833 301 HB3 LEU 59 HB3 LEU 59 -3.982 11.962 2.945 302 HG LEU 59 HG LEU 59 -3.706 14.867 2.181 303 HD11 LEU 59 HD11 LEU 59 -4.821 13.879 0.069 304 HD12 LEU 59 HD12 LEU 59 -4.203 12.338 0.662 305 HD13 LEU 59 HD13 LEU 59 -3.087 13.656 0.306 306 HD21 LEU 59 HD21 LEU 59 -6.059 13.184 2.888 307 HD22 LEU 59 HD22 LEU 59 -6.223 14.375 1.596 308 HD23 LEU 59 HD23 LEU 59 -5.750 14.889 3.217 309 H GLY 60 H GLY 60 -1.289 13.820 5.371 310 HA2 GLY 60 HA2 GLY 60 -0.780 11.107 6.371 311 HA3 GLY 60 HA3 GLY 60 0.440 12.328 6.040 312 H SER 61 H SER 61 -1.515 14.244 7.505 313 HA SER 61 HA SER 61 -0.319 13.790 10.122 314 HB2 SER 61 HB2 SER 61 -0.846 16.083 8.626 315 HB3 SER 61 HB3 SER 61 -2.036 16.129 9.926 316 HG SER 61 HG SER 61 -0.444 16.205 11.403 317 H ASN 62 H ASN 62 -3.560 14.636 8.892 318 HA ASN 62 HA ASN 62 -4.996 14.246 11.213 319 HB2 ASN 62 HB2 ASN 62 -5.708 15.027 8.786 320 HB3 ASN 62 HB3 ASN 62 -6.204 13.345 8.633 321 HD21 ASN 62 HD21 ASN 62 -6.908 16.406 9.972 322 HD22 ASN 62 HD22 ASN 62 -8.377 15.973 10.772 323 H VAL 63 H VAL 63 -6.436 12.483 11.840 324 HA VAL 63 HA VAL 63 -5.081 10.036 12.101 325 HB VAL 63 HB VAL 63 -6.712 10.686 13.750 326 HG11 VAL 63 HG11 VAL 63 -8.195 11.690 11.776 327 HG12 VAL 63 HG12 VAL 63 -9.039 10.156 11.995 328 HG13 VAL 63 HG13 VAL 63 -8.869 11.272 13.351 329 HG21 VAL 63 HG21 VAL 63 -6.355 8.301 13.472 330 HG22 VAL 63 HG22 VAL 63 -8.036 8.618 13.902 331 HG23 VAL 63 HG23 VAL 63 -7.610 8.237 12.233 332 H MET 64 H MET 64 -7.782 10.998 10.010 333 HA MET 64 HA MET 64 -8.788 9.959 8.244 334 HB2 MET 64 HB2 MET 64 -6.367 10.528 7.491 335 HB3 MET 64 HB3 MET 64 -6.104 8.791 7.579 336 HG2 MET 64 HG2 MET 64 -6.767 8.803 5.449 337 HG3 MET 64 HG3 MET 64 -8.389 8.896 6.131 338 HE1 MET 64 HE1 MET 64 -9.729 11.050 6.452 339 HE2 MET 64 HE2 MET 64 -9.752 12.173 5.092 340 HE3 MET 64 HE3 MET 64 -9.980 10.445 4.813 341 H GLU 65 H GLU 65 -9.456 8.523 10.308 342 HA GLU 65 HA GLU 65 -8.701 5.734 9.814 343 HB2 GLU 65 HB2 GLU 65 -9.327 7.239 12.164 344 HB3 GLU 65 HB3 GLU 65 -10.503 5.944 11.999 345 HG2 GLU 65 HG2 GLU 65 -8.024 4.773 11.464 346 HG3 GLU 65 HG3 GLU 65 -7.766 5.829 12.852 347 H GLU 66 H GLU 66 -10.696 4.211 10.392 348 HA GLU 66 HA GLU 66 -12.423 4.256 8.242 349 HB2 GLU 66 HB2 GLU 66 -13.846 2.682 9.592 350 HB3 GLU 66 HB3 GLU 66 -12.150 2.233 9.475 351 HG2 GLU 66 HG2 GLU 66 -11.838 3.360 11.718 352 HG3 GLU 66 HG3 GLU 66 -13.596 3.413 11.823 353 H GLN 67 H GLN 67 -13.040 5.407 11.547 354 HA GLN 67 HA GLN 67 -15.689 6.255 11.077 355 HB2 GLN 67 HB2 GLN 67 -14.022 6.082 13.276 356 HB3 GLN 67 HB3 GLN 67 -14.255 7.814 13.085 357 HG2 GLN 67 HG2 GLN 67 -16.744 6.367 12.825 358 HG3 GLN 67 HG3 GLN 67 -15.948 6.037 14.363 359 HE21 GLN 67 HE21 GLN 67 -16.976 8.666 12.242 360 HE22 GLN 67 HE22 GLN 67 -17.300 9.798 13.506 361 H ASP 68 H ASP 68 -12.603 8.010 11.038 362 HA ASP 68 HA ASP 68 -13.519 10.575 10.593 363 HB2 ASP 68 HB2 ASP 68 -11.072 9.490 10.771 364 HB3 ASP 68 HB3 ASP 68 -11.141 9.724 9.027 365 H LEU 69 H LEU 69 -12.962 7.998 8.227 366 HA LEU 69 HA LEU 69 -13.590 9.575 5.952 367 HB2 LEU 69 HB2 LEU 69 -13.860 6.590 6.151 368 HB3 LEU 69 HB3 LEU 69 -13.535 7.557 4.715 369 HG LEU 69 HG LEU 69 -11.498 7.791 6.811 370 HD11 LEU 69 HD11 LEU 69 -12.475 5.260 6.519 371 HD12 LEU 69 HD12 LEU 69 -10.835 5.667 7.024 372 HD13 LEU 69 HD13 LEU 69 -11.170 5.292 5.334 373 HD21 LEU 69 HD21 LEU 69 -10.174 8.206 5.048 374 HD22 LEU 69 HD22 LEU 69 -11.690 8.380 4.164 375 HD23 LEU 69 HD23 LEU 69 -10.813 6.849 4.119 376 H ARG 70 H ARG 70 -15.480 7.663 8.184 377 HA ARG 70 HA ARG 70 -17.853 7.615 6.590 378 HB2 ARG 70 HB2 ARG 70 -17.320 5.963 8.395 379 HB3 ARG 70 HB3 ARG 70 -17.604 7.234 9.576 380 HG2 ARG 70 HG2 ARG 70 -19.826 7.041 9.428 381 HG3 ARG 70 HG3 ARG 70 -19.792 6.869 7.672 382 HD2 ARG 70 HD2 ARG 70 -18.730 4.514 8.343 383 HD3 ARG 70 HD3 ARG 70 -19.691 4.803 9.793 384 HE ARG 70 HE ARG 70 -21.360 5.288 7.646 385 HH11 ARG 70 HH11 ARG 70 -19.536 2.605 8.908 386 HH12 ARG 70 HH12 ARG 70 -20.632 1.407 8.304 387 HH21 ARG 70 HH21 ARG 70 -22.810 3.721 6.845 388 HH22 ARG 70 HH22 ARG 70 -22.493 2.043 7.130 389 H ASP 71 H ASP 71 -16.624 9.656 9.191 390 HA ASP 71 HA ASP 71 -18.947 11.161 9.648 391 HB2 ASP 71 HB2 ASP 71 -16.758 11.087 11.006 392 HB3 ASP 71 HB3 ASP 71 -16.171 12.301 9.873 393 H ILE 72 H ILE 72 -16.363 11.507 7.286 394 HA ILE 72 HA ILE 72 -17.309 14.037 6.305 395 HB ILE 72 HB ILE 72 -15.653 13.749 4.517 396 HG12 ILE 72 HG12 ILE 72 -14.840 11.152 5.801 397 HG13 ILE 72 HG13 ILE 72 -16.011 11.192 4.489 398 HG21 ILE 72 HG21 ILE 72 -14.138 14.538 5.934 399 HG22 ILE 72 HG22 ILE 72 -15.165 14.003 7.263 400 HG23 ILE 72 HG23 ILE 72 -13.901 12.941 6.641 401 HD11 ILE 72 HD11 ILE 72 -13.434 10.840 4.060 402 HD12 ILE 72 HD12 ILE 72 -14.451 11.737 2.932 403 HD13 ILE 72 HD13 ILE 72 -13.438 12.604 4.087 404 H GLY 73 H GLY 73 -18.039 10.730 5.717 405 HA2 GLY 73 HA2 GLY 73 -20.305 10.671 4.502 406 HA3 GLY 73 HA3 GLY 73 -19.395 11.409 3.193 407 H ILE 74 H ILE 74 -17.005 9.943 3.450 408 HA ILE 74 HA ILE 74 -17.602 7.678 1.908 409 HB ILE 74 HB ILE 74 -15.081 8.171 3.496 410 HG12 ILE 74 HG12 ILE 74 -15.712 8.949 0.642 411 HG13 ILE 74 HG13 ILE 74 -15.716 10.065 2.003 412 HG21 ILE 74 HG21 ILE 74 -14.634 6.867 1.015 413 HG22 ILE 74 HG22 ILE 74 -14.346 6.261 2.645 414 HG23 ILE 74 HG23 ILE 74 -15.910 6.001 1.871 415 HD11 ILE 74 HD11 ILE 74 -13.236 8.679 1.979 416 HD12 ILE 74 HD12 ILE 74 -13.555 9.309 0.363 417 HD13 ILE 74 HD13 ILE 74 -13.551 10.399 1.749 418 H SER 75 H SER 75 -18.879 6.123 2.736 419 HA SER 75 HA SER 75 -18.075 4.925 5.306 420 HB2 SER 75 HB2 SER 75 -20.532 4.059 5.247 421 HB3 SER 75 HB3 SER 75 -20.229 5.733 5.710 422 HG SER 75 HG SER 75 -21.229 6.384 3.976 423 H ASP 76 H ASP 76 -18.423 4.447 1.967 424 HA ASP 76 HA ASP 76 -18.948 1.658 1.926 425 HB2 ASP 76 HB2 ASP 76 -18.249 3.740 -0.007 426 HB3 ASP 76 HB3 ASP 76 -17.545 2.172 -0.396 427 HA PRO 77 HA PRO 77 -15.057 -0.086 2.972 428 HB2 PRO 77 HB2 PRO 77 -15.113 -2.358 1.487 429 HB3 PRO 77 HB3 PRO 77 -16.108 -2.129 2.930 430 HG2 PRO 77 HG2 PRO 77 -16.855 -1.833 0.046 431 HG3 PRO 77 HG3 PRO 77 -17.764 -2.594 1.365 432 HD2 PRO 77 HD2 PRO 77 -18.307 -0.095 0.475 433 HD3 PRO 77 HD3 PRO 77 -18.534 -0.576 2.169 434 H GLN 78 H GLN 78 -15.784 -0.235 -0.516 435 HA GLN 78 HA GLN 78 -13.033 -0.329 -1.274 436 HB2 GLN 78 HB2 GLN 78 -15.505 0.289 -2.900 437 HB3 GLN 78 HB3 GLN 78 -13.903 0.018 -3.572 438 HG2 GLN 78 HG2 GLN 78 -15.622 -1.961 -2.101 439 HG3 GLN 78 HG3 GLN 78 -15.175 -1.984 -3.807 440 HE21 GLN 78 HE21 GLN 78 -14.593 -3.441 -0.989 441 HE22 GLN 78 HE22 GLN 78 -12.959 -3.949 -1.224 442 H HIS 79 H HIS 79 -14.976 2.142 -0.146 443 HA HIS 79 HA HIS 79 -13.462 4.213 -1.581 444 HB2 HIS 79 HB2 HIS 79 -16.024 4.386 0.016 445 HB3 HIS 79 HB3 HIS 79 -15.196 5.775 -0.681 446 HD1 HIS 79 HD1 HIS 79 -17.740 5.833 -1.829 447 HD2 HIS 79 HD2 HIS 79 -15.009 3.032 -3.226 448 HE1 HIS 79 HE1 HIS 79 -18.588 5.139 -4.093 449 H ARG 80 H ARG 80 -13.859 2.697 1.471 450 HA ARG 80 HA ARG 80 -12.660 4.873 2.968 451 HB2 ARG 80 HB2 ARG 80 -14.060 2.381 3.591 452 HB3 ARG 80 HB3 ARG 80 -12.678 2.678 4.637 453 HG2 ARG 80 HG2 ARG 80 -13.680 5.030 4.933 454 HG3 ARG 80 HG3 ARG 80 -15.156 4.314 4.284 455 HD2 ARG 80 HD2 ARG 80 -13.691 3.015 6.550 456 HD3 ARG 80 HD3 ARG 80 -14.794 4.357 6.847 457 HE ARG 80 HE ARG 80 -16.585 2.993 6.272 458 HH11 ARG 80 HH11 ARG 80 -13.554 1.360 5.756 459 HH12 ARG 80 HH12 ARG 80 -14.278 -0.204 5.578 460 HH21 ARG 80 HH21 ARG 80 -17.550 0.940 6.040 461 HH22 ARG 80 HH22 ARG 80 -16.550 -0.441 5.738 462 H ARG 81 H ARG 81 -11.796 1.611 1.889 463 HA ARG 81 HA ARG 81 -9.208 1.640 3.082 464 HB2 ARG 81 HB2 ARG 81 -10.780 -0.166 1.395 465 HB3 ARG 81 HB3 ARG 81 -9.058 -0.202 1.040 466 HG2 ARG 81 HG2 ARG 81 -9.827 -0.338 3.889 467 HG3 ARG 81 HG3 ARG 81 -10.198 -1.744 2.890 468 HD2 ARG 81 HD2 ARG 81 -7.736 -1.468 2.081 469 HD3 ARG 81 HD3 ARG 81 -7.547 -0.545 3.571 470 HE ARG 81 HE ARG 81 -8.783 -3.092 3.992 471 HH11 ARG 81 HH11 ARG 81 -5.738 -1.453 3.594 472 HH12 ARG 81 HH12 ARG 81 -4.832 -2.650 4.458 473 HH21 ARG 81 HH21 ARG 81 -7.601 -4.675 5.132 474 HH22 ARG 81 HH22 ARG 81 -5.893 -4.483 5.332 475 H LYS 82 H LYS 82 -10.494 2.513 -0.066 476 HA LYS 82 HA LYS 82 -8.015 2.767 -1.408 477 HB2 LYS 82 HB2 LYS 82 -10.528 2.749 -2.272 478 HB3 LYS 82 HB3 LYS 82 -10.328 4.494 -2.162 479 HG2 LYS 82 HG2 LYS 82 -9.005 4.578 -3.965 480 HG3 LYS 82 HG3 LYS 82 -8.129 3.113 -3.515 481 HD2 LYS 82 HD2 LYS 82 -10.085 1.780 -4.281 482 HD3 LYS 82 HD3 LYS 82 -10.830 3.276 -4.851 483 HE2 LYS 82 HE2 LYS 82 -8.613 3.586 -6.158 484 HE3 LYS 82 HE3 LYS 82 -8.400 1.859 -5.878 485 HZ1 LYS 82 HZ1 LYS 82 -9.475 2.298 -7.999 486 HZ2 LYS 82 HZ2 LYS 82 -10.736 3.111 -7.219 487 HZ3 LYS 82 HZ3 LYS 82 -10.514 1.453 -6.965 488 H LEU 83 H LEU 83 -10.054 5.090 0.328 489 HA LEU 83 HA LEU 83 -8.388 7.334 -0.198 490 HB2 LEU 83 HB2 LEU 83 -10.893 7.095 0.669 491 HB3 LEU 83 HB3 LEU 83 -10.092 7.270 2.229 492 HG LEU 83 HG LEU 83 -9.046 9.344 0.732 493 HD11 LEU 83 HD11 LEU 83 -11.755 8.661 -0.216 494 HD12 LEU 83 HD12 LEU 83 -10.447 9.520 -1.028 495 HD13 LEU 83 HD13 LEU 83 -11.456 10.360 0.149 496 HD21 LEU 83 HD21 LEU 83 -11.459 9.499 2.527 497 HD22 LEU 83 HD22 LEU 83 -10.251 10.750 2.233 498 HD23 LEU 83 HD23 LEU 83 -9.811 9.287 3.117 499 H LEU 84 H LEU 84 -8.300 4.770 2.104 500 HA LEU 84 HA LEU 84 -6.527 6.173 3.921 501 HB2 LEU 84 HB2 LEU 84 -8.119 3.754 3.964 502 HB3 LEU 84 HB3 LEU 84 -6.489 3.471 4.572 503 HG LEU 84 HG LEU 84 -6.780 5.001 6.346 504 HD11 LEU 84 HD11 LEU 84 -9.160 5.947 4.792 505 HD12 LEU 84 HD12 LEU 84 -7.787 6.874 5.395 506 HD13 LEU 84 HD13 LEU 84 -9.003 6.267 6.520 507 HD21 LEU 84 HD21 LEU 84 -8.792 4.162 7.487 508 HD22 LEU 84 HD22 LEU 84 -7.863 2.869 6.730 509 HD23 LEU 84 HD23 LEU 84 -9.342 3.455 5.967 510 H GLN 85 H GLN 85 -6.335 3.915 1.281 511 HA GLN 85 HA GLN 85 -3.608 3.155 1.803 512 HB2 GLN 85 HB2 GLN 85 -5.540 1.912 0.467 513 HB3 GLN 85 HB3 GLN 85 -4.843 2.793 -0.886 514 HG2 GLN 85 HG2 GLN 85 -3.491 1.032 -1.073 515 HG3 GLN 85 HG3 GLN 85 -2.622 1.751 0.281 516 HE21 GLN 85 HE21 GLN 85 -3.759 -1.053 -0.822 517 HE22 GLN 85 HE22 GLN 85 -4.085 -1.874 0.663 518 H ALA 86 H ALA 86 -5.282 5.342 -0.418 519 HA ALA 86 HA ALA 86 -2.883 6.166 -1.750 520 HB1 ALA 86 HB1 ALA 86 -4.226 7.405 -3.117 521 HB2 ALA 86 HB2 ALA 86 -5.407 6.238 -2.521 522 HB3 ALA 86 HB3 ALA 86 -5.329 7.852 -1.815 523 H ALA 87 H ALA 87 -4.435 7.018 1.173 524 HA ALA 87 HA ALA 87 -3.296 9.678 1.317 525 HB1 ALA 87 HB1 ALA 87 -4.242 9.567 3.681 526 HB2 ALA 87 HB2 ALA 87 -5.396 9.514 2.348 527 HB3 ALA 87 HB3 ALA 87 -4.960 8.031 3.197 528 H ARG 88 H ARG 88 -2.758 6.502 2.780 529 HA ARG 88 HA ARG 88 -0.627 7.414 4.467 530 HB2 ARG 88 HB2 ARG 88 -0.392 5.150 5.141 531 HB3 ARG 88 HB3 ARG 88 -2.115 5.420 4.920 532 HG2 ARG 88 HG2 ARG 88 -1.831 4.431 2.604 533 HG3 ARG 88 HG3 ARG 88 -0.229 3.917 3.137 534 HD2 ARG 88 HD2 ARG 88 -2.860 3.178 4.414 535 HD3 ARG 88 HD3 ARG 88 -1.853 2.125 3.418 536 HE ARG 88 HE ARG 88 -0.336 3.081 5.582 537 HH11 ARG 88 HH11 ARG 88 -2.984 0.927 4.898 538 HH12 ARG 88 HH12 ARG 88 -2.663 -0.108 6.250 539 HH21 ARG 88 HH21 ARG 88 0.097 1.727 7.366 540 HH22 ARG 88 HH22 ARG 88 -0.910 0.348 7.654 541 H SER 89 H SER 89 -0.901 6.360 1.206 542 HA SER 89 HA SER 89 1.777 5.455 0.855 543 HB2 SER 89 HB2 SER 89 1.252 5.703 -1.590 544 HB3 SER 89 HB3 SER 89 0.097 4.711 -0.701 545 HG SER 89 HG SER 89 -0.423 7.444 -0.918 546 H LEU 90 H LEU 90 0.487 8.499 1.359 547 HA LEU 90 HA LEU 90 2.152 10.057 -0.342 548 HB2 LEU 90 HB2 LEU 90 0.347 10.567 1.951 549 HB3 LEU 90 HB3 LEU 90 1.564 11.792 1.597 550 HG LEU 90 HG LEU 90 0.430 11.325 -0.866 551 HD11 LEU 90 HD11 LEU 90 -1.916 11.627 0.942 552 HD12 LEU 90 HD12 LEU 90 -1.304 10.010 0.597 553 HD13 LEU 90 HD13 LEU 90 -1.839 11.050 -0.723 554 HD21 LEU 90 HD21 LEU 90 0.851 13.517 -0.364 555 HD22 LEU 90 HD22 LEU 90 0.151 13.399 1.250 556 HD23 LEU 90 HD23 LEU 90 -0.901 13.484 -0.163 557 HA PRO 91 HA PRO 91 5.962 10.237 1.826 558 HB2 PRO 91 HB2 PRO 91 6.665 12.847 1.564 559 HB3 PRO 91 HB3 PRO 91 6.702 11.702 0.217 560 HG2 PRO 91 HG2 PRO 91 4.617 13.731 0.920 561 HG3 PRO 91 HG3 PRO 91 5.290 13.324 -0.669 562 HD2 PRO 91 HD2 PRO 91 2.892 12.397 0.180 563 HD3 PRO 91 HD3 PRO 91 3.950 11.463 -0.898 564 H LYS 92 H LYS 92 7.140 11.282 3.626 565 HA LYS 92 HA LYS 92 5.431 11.651 5.873 566 HB2 LYS 92 HB2 LYS 92 8.385 12.252 5.756 567 HB3 LYS 92 HB3 LYS 92 7.430 11.822 7.170 568 HG2 LYS 92 HG2 LYS 92 7.966 9.994 4.838 569 HG3 LYS 92 HG3 LYS 92 8.858 9.984 6.361 570 HD2 LYS 92 HD2 LYS 92 5.882 9.735 6.397 571 HD3 LYS 92 HD3 LYS 92 6.867 8.330 5.983 572 HE2 LYS 92 HE2 LYS 92 7.897 9.696 8.312 573 HE3 LYS 92 HE3 LYS 92 6.212 9.230 8.536 574 HZ1 LYS 92 HZ1 LYS 92 7.946 7.544 9.197 575 HZ2 LYS 92 HZ2 LYS 92 8.257 7.332 7.548 576 HZ3 LYS 92 HZ3 LYS 92 6.722 6.986 8.171 577 H VAL 93 H VAL 93 5.491 13.513 7.328 578 HA VAL 93 HA VAL 93 5.451 16.011 5.802 579 HB VAL 93 HB VAL 93 3.436 15.355 7.116 580 HG11 VAL 93 HG11 VAL 93 5.005 14.481 9.026 581 HG12 VAL 93 HG12 VAL 93 4.857 16.137 9.618 582 HG13 VAL 93 HG13 VAL 93 3.415 15.143 9.402 583 HG21 VAL 93 HG21 VAL 93 4.158 17.747 6.558 584 HG22 VAL 93 HG22 VAL 93 2.941 17.535 7.817 585 HG23 VAL 93 HG23 VAL 93 4.615 17.870 8.257 586 H LYS 94 H LYS 94 6.497 17.885 6.514 587 HA LYS 94 HA LYS 94 9.026 17.457 7.754 588 HB2 LYS 94 HB2 LYS 94 7.558 19.922 6.835 589 HB3 LYS 94 HB3 LYS 94 9.123 20.018 7.633 590 HG2 LYS 94 HG2 LYS 94 9.992 18.464 5.846 591 HG3 LYS 94 HG3 LYS 94 8.464 18.727 5.002 592 HD2 LYS 94 HD2 LYS 94 9.235 20.636 4.166 593 HD3 LYS 94 HD3 LYS 94 9.519 21.255 5.793 594 HE2 LYS 94 HE2 LYS 94 11.730 20.836 5.702 595 HE3 LYS 94 HE3 LYS 94 11.509 19.317 4.836 596 HZ1 LYS 94 HZ1 LYS 94 10.793 21.412 3.127 597 HZ2 LYS 94 HZ2 LYS 94 12.089 20.337 2.977 598 HZ3 LYS 94 HZ3 LYS 94 12.293 21.797 3.806 599 H ALA 95 H ALA 95 9.820 18.414 9.692 600 HA ALA 95 HA ALA 95 7.817 18.476 11.803 601 HB1 ALA 95 HB1 ALA 95 9.875 17.124 12.054 602 HB2 ALA 95 HB2 ALA 95 10.821 18.615 12.037 603 HB3 ALA 95 HB3 ALA 95 9.667 18.315 13.338 604 H LEU 96 H LEU 96 7.363 20.216 13.088 605 HA LEU 96 HA LEU 96 6.982 22.428 13.507 606 HB2 LEU 96 HB2 LEU 96 8.821 23.563 14.327 607 HB3 LEU 96 HB3 LEU 96 9.310 21.875 14.461 608 HG LEU 96 HG LEU 96 10.136 23.069 11.941 609 HD11 LEU 96 HD11 LEU 96 12.015 24.339 13.219 610 HD12 LEU 96 HD12 LEU 96 10.816 24.435 14.508 611 HD13 LEU 96 HD13 LEU 96 10.465 25.125 12.923 612 HD21 LEU 96 HD21 LEU 96 10.891 20.916 13.064 613 HD22 LEU 96 HD22 LEU 96 11.834 21.938 14.148 614 HD23 LEU 96 HD23 LEU 96 12.155 21.960 12.413 615 H GLY 97 H GLY 97 8.185 24.770 12.702 616 HA2 GLY 97 HA2 GLY 97 8.836 25.945 10.695 617 HA3 GLY 97 HA3 GLY 97 8.015 24.704 9.760 618 H TYR 98 H TYR 98 5.672 24.700 11.529 619 HA TYR 98 HA TYR 98 4.546 27.321 11.532 620 HB2 TYR 98 HB2 TYR 98 4.505 26.088 9.056 621 HB3 TYR 98 HB3 TYR 98 2.913 25.721 9.712 622 HD1 TYR 98 HD2 TYR 98 2.081 28.036 11.134 623 HD2 TYR 98 HD1 TYR 98 4.374 27.832 7.556 624 HE1 TYR 98 HE2 TYR 98 1.302 30.285 10.514 625 HE2 TYR 98 HE1 TYR 98 3.603 30.081 6.926 626 HH TYR 98 HH TYR 98 2.148 31.728 7.401 627 H ASP 99 H ASP 99 4.872 25.023 13.291 628 HA ASP 99 HA ASP 99 2.088 24.795 14.143 629 HB2 ASP 99 HB2 ASP 99 3.820 22.333 14.112 630 HB3 ASP 99 HB3 ASP 99 2.074 22.446 14.320 631 H GLY 100 H GLY 100 1.858 24.981 16.295 632 HA2 GLY 100 HA2 GLY 100 4.222 24.536 17.994 633 HA3 GLY 100 HA3 GLY 100 3.343 26.055 18.099 634 H ASN 101 H ASN 101 2.787 22.542 18.276 635 HA ASN 101 HA ASN 101 1.187 22.970 20.679 636 HB2 ASN 101 HB2 ASN 101 0.133 22.087 18.076 637 HB3 ASN 101 HB3 ASN 101 -0.326 21.064 19.434 638 HD21 ASN 101 HD21 ASN 101 -1.797 21.781 20.880 639 HD22 ASN 101 HD22 ASN 101 -2.608 23.302 20.763 Start of MODEL 9 1 H MET 21 H MET 21 15.323 6.904 5.273 2 HA MET 21 HA MET 21 14.670 8.857 6.421 3 HB2 MET 21 HB2 MET 21 17.610 9.066 6.654 4 HB3 MET 21 HB3 MET 21 16.742 10.594 6.571 5 HG2 MET 21 HG2 MET 21 17.034 10.011 8.862 6 HG3 MET 21 HG3 MET 21 15.328 9.838 8.455 7 HE1 MET 21 HE1 MET 21 14.247 8.036 9.965 8 HE2 MET 21 HE2 MET 21 15.280 6.917 10.853 9 HE3 MET 21 HE3 MET 21 15.578 8.653 10.944 10 H ILE 22 H ILE 22 16.775 8.619 3.666 11 HA ILE 22 HA ILE 22 15.584 11.043 2.506 12 HB ILE 22 HB ILE 22 17.949 9.508 1.439 13 HG12 ILE 22 HG12 ILE 22 17.923 11.948 3.228 14 HG13 ILE 22 HG13 ILE 22 18.451 10.335 3.696 15 HG21 ILE 22 HG21 ILE 22 16.731 10.958 -0.146 16 HG22 ILE 22 HG22 ILE 22 17.027 12.330 0.921 17 HG23 ILE 22 HG23 ILE 22 18.382 11.504 0.151 18 HD11 ILE 22 HD11 ILE 22 19.809 12.374 2.037 19 HD12 ILE 22 HD12 ILE 22 20.464 11.272 3.250 20 HD13 ILE 22 HD13 ILE 22 20.074 10.677 1.636 21 H SER 23 H SER 23 13.777 10.569 1.430 22 HA SER 23 HA SER 23 13.700 8.125 -0.201 23 HB2 SER 23 HB2 SER 23 11.696 9.595 1.367 24 HB3 SER 23 HB3 SER 23 11.136 9.101 -0.230 25 HG SER 23 HG SER 23 11.503 6.997 0.286 26 H GLY 24 H GLY 24 12.139 11.325 -0.422 27 HA2 GLY 24 HA2 GLY 24 13.407 11.937 -2.921 28 HA3 GLY 24 HA3 GLY 24 11.742 11.413 -3.129 29 H LEU 25 H LEU 25 12.533 13.926 -3.921 30 HA LEU 25 HA LEU 25 10.830 15.567 -2.241 31 HB2 LEU 25 HB2 LEU 25 12.450 17.384 -2.070 32 HB3 LEU 25 HB3 LEU 25 13.014 15.927 -1.254 33 HG LEU 25 HG LEU 25 13.931 16.403 -4.043 34 HD11 LEU 25 HD11 LEU 25 14.497 18.519 -3.432 35 HD12 LEU 25 HD12 LEU 25 15.893 17.659 -2.786 36 HD13 LEU 25 HD13 LEU 25 14.573 18.128 -1.715 37 HD21 LEU 25 HD21 LEU 25 14.743 14.903 -1.649 38 HD22 LEU 25 HD22 LEU 25 16.063 15.643 -2.556 39 HD23 LEU 25 HD23 LEU 25 14.959 14.524 -3.357 40 H ARG 26 H ARG 26 10.588 14.472 -4.880 41 HA ARG 26 HA ARG 26 10.246 16.977 -6.360 42 HB2 ARG 26 HB2 ARG 26 12.350 15.496 -6.997 43 HB3 ARG 26 HB3 ARG 26 11.144 14.573 -7.883 44 HG2 ARG 26 HG2 ARG 26 10.468 16.910 -8.829 45 HG3 ARG 26 HG3 ARG 26 12.099 17.359 -8.324 46 HD2 ARG 26 HD2 ARG 26 13.023 16.271 -10.037 47 HD3 ARG 26 HD3 ARG 26 12.056 14.828 -9.734 48 HE ARG 26 HE ARG 26 10.410 16.745 -10.924 49 HH11 ARG 26 HH11 ARG 26 13.175 14.783 -11.713 50 HH12 ARG 26 HH12 ARG 26 12.797 14.698 -13.401 51 HH21 ARG 26 HH21 ARG 26 9.901 16.639 -13.145 52 HH22 ARG 26 HH22 ARG 26 10.934 15.755 -14.215 53 H THR 27 H THR 27 8.342 15.431 -4.924 54 HA THR 27 HA THR 27 6.867 13.787 -6.756 55 HB THR 27 HB THR 27 5.104 14.502 -4.728 56 HG1 THR 27 HG1 THR 27 7.628 14.046 -3.518 57 HG21 THR 27 HG21 THR 27 6.844 12.202 -5.382 58 HG22 THR 27 HG22 THR 27 5.101 12.268 -5.122 59 HG23 THR 27 HG23 THR 27 6.200 12.252 -3.742 60 H LEU 28 H LEU 28 4.499 14.260 -7.156 61 HA LEU 28 HA LEU 28 4.300 16.837 -8.429 62 HB2 LEU 28 HB2 LEU 28 2.112 14.792 -8.196 63 HB3 LEU 28 HB3 LEU 28 2.321 16.031 -9.432 64 HG LEU 28 HG LEU 28 4.593 14.478 -9.686 65 HD11 LEU 28 HD11 LEU 28 2.255 12.797 -8.869 66 HD12 LEU 28 HD12 LEU 28 3.944 12.675 -8.378 67 HD13 LEU 28 HD13 LEU 28 3.460 12.184 -10.001 68 HD21 LEU 28 HD21 LEU 28 3.855 14.209 -11.815 69 HD22 LEU 28 HD22 LEU 28 2.728 15.469 -11.310 70 HD23 LEU 28 HD23 LEU 28 2.219 13.780 -11.315 71 H GLU 29 H GLU 29 1.825 17.714 -8.251 72 HA GLU 29 HA GLU 29 1.221 18.010 -5.387 73 HB2 GLU 29 HB2 GLU 29 0.644 20.435 -5.952 74 HB3 GLU 29 HB3 GLU 29 2.348 20.018 -5.853 75 HG2 GLU 29 HG2 GLU 29 2.625 20.097 -8.171 76 HG3 GLU 29 HG3 GLU 29 0.889 20.023 -8.468 77 H GLN 30 H GLN 30 -0.175 16.216 -6.762 78 HA GLN 30 HA GLN 30 -2.382 17.099 -8.236 79 HB2 GLN 30 HB2 GLN 30 -3.402 14.920 -7.643 80 HB3 GLN 30 HB3 GLN 30 -1.748 14.766 -8.218 81 HG2 GLN 30 HG2 GLN 30 -1.055 14.726 -5.782 82 HG3 GLN 30 HG3 GLN 30 -2.766 14.522 -5.408 83 HE21 GLN 30 HE21 GLN 30 -1.407 12.569 -4.484 84 HE22 GLN 30 HE22 GLN 30 -1.460 11.154 -5.472 85 H SER 31 H SER 31 -4.297 17.965 -7.705 86 HA SER 31 HA SER 31 -4.702 18.844 -4.990 87 HB2 SER 31 HB2 SER 31 -5.696 19.565 -7.623 88 HB3 SER 31 HB3 SER 31 -7.002 19.471 -6.443 89 HG SER 31 HG SER 31 -4.594 20.902 -6.010 90 H VAL 32 H VAL 32 -7.109 18.724 -4.205 91 HA VAL 32 HA VAL 32 -7.643 16.104 -3.454 92 HB VAL 32 HB VAL 32 -9.552 18.442 -3.576 93 HG11 VAL 32 HG11 VAL 32 -10.828 17.168 -1.857 94 HG12 VAL 32 HG12 VAL 32 -10.832 16.416 -3.454 95 HG13 VAL 32 HG13 VAL 32 -9.791 15.780 -2.181 96 HG21 VAL 32 HG21 VAL 32 -8.614 19.199 -1.700 97 HG22 VAL 32 HG22 VAL 32 -8.616 17.596 -0.963 98 HG23 VAL 32 HG23 VAL 32 -7.289 18.081 -2.020 99 H GLY 33 H GLY 33 -9.335 18.072 -5.903 100 HA2 GLY 33 HA2 GLY 33 -11.163 16.167 -6.760 101 HA3 GLY 33 HA3 GLY 33 -10.525 17.458 -7.768 102 H GLU 34 H GLU 34 -8.160 16.979 -8.506 103 HA GLU 34 HA GLU 34 -8.209 14.879 -10.295 104 HB2 GLU 34 HB2 GLU 34 -6.643 16.659 -10.606 105 HB3 GLU 34 HB3 GLU 34 -5.870 16.331 -9.062 106 HG2 GLU 34 HG2 GLU 34 -4.496 15.552 -10.895 107 HG3 GLU 34 HG3 GLU 34 -5.053 14.198 -9.914 108 H TRP 35 H TRP 35 -6.628 14.981 -7.112 109 HA TRP 35 HA TRP 35 -5.462 12.481 -7.094 110 HB2 TRP 35 HB2 TRP 35 -5.032 14.026 -5.305 111 HB3 TRP 35 HB3 TRP 35 -6.728 14.032 -4.831 112 HD1 TRP 35 HD1 TRP 35 -4.677 10.838 -5.514 113 HE1 TRP 35 HE1 TRP 35 -4.595 9.456 -3.344 114 HE3 TRP 35 HE3 TRP 35 -6.977 14.141 -2.361 115 HZ2 TRP 35 HZ2 TRP 35 -5.399 9.730 -0.652 116 HZ3 TRP 35 HZ3 TRP 35 -7.282 13.504 -0.004 117 HH2 TRP 35 HH2 TRP 35 -6.508 11.343 0.831 118 H LEU 36 H LEU 36 -8.704 13.301 -5.851 119 HA LEU 36 HA LEU 36 -9.458 10.630 -5.329 120 HB2 LEU 36 HB2 LEU 36 -11.206 13.024 -5.881 121 HB3 LEU 36 HB3 LEU 36 -11.734 11.507 -5.155 122 HG LEU 36 HG LEU 36 -9.595 13.141 -3.843 123 HD11 LEU 36 HD11 LEU 36 -12.565 13.567 -3.543 124 HD12 LEU 36 HD12 LEU 36 -11.427 14.695 -4.279 125 HD13 LEU 36 HD13 LEU 36 -11.304 14.314 -2.562 126 HD21 LEU 36 HD21 LEU 36 -11.221 10.813 -3.230 127 HD22 LEU 36 HD22 LEU 36 -11.294 12.040 -1.966 128 HD23 LEU 36 HD23 LEU 36 -9.736 11.387 -2.473 129 H GLU 37 H GLU 37 -9.548 12.603 -8.196 130 HA GLU 37 HA GLU 37 -11.418 11.070 -9.670 131 HB2 GLU 37 HB2 GLU 37 -9.717 13.342 -10.125 132 HB3 GLU 37 HB3 GLU 37 -9.577 12.224 -11.474 133 HG2 GLU 37 HG2 GLU 37 -12.330 12.516 -10.760 134 HG3 GLU 37 HG3 GLU 37 -11.601 14.104 -10.986 135 H SER 38 H SER 38 -8.017 10.722 -9.024 136 HA SER 38 HA SER 38 -7.453 8.889 -11.131 137 HB2 SER 38 HB2 SER 38 -5.319 9.002 -10.386 138 HB3 SER 38 HB3 SER 38 -5.917 10.316 -9.371 139 HG SER 38 HG SER 38 -4.954 7.920 -8.637 140 H ILE 39 H ILE 39 -8.894 8.609 -8.015 141 HA ILE 39 HA ILE 39 -8.630 5.684 -8.073 142 HB ILE 39 HB ILE 39 -9.364 5.697 -5.752 143 HG12 ILE 39 HG12 ILE 39 -9.404 8.715 -5.956 144 HG13 ILE 39 HG13 ILE 39 -10.847 7.707 -5.979 145 HG21 ILE 39 HG21 ILE 39 -7.198 5.897 -5.314 146 HG22 ILE 39 HG22 ILE 39 -6.966 6.913 -6.734 147 HG23 ILE 39 HG23 ILE 39 -7.415 7.643 -5.193 148 HD11 ILE 39 HD11 ILE 39 -10.546 8.592 -3.780 149 HD12 ILE 39 HD12 ILE 39 -10.219 6.858 -3.738 150 HD13 ILE 39 HD13 ILE 39 -8.883 8.008 -3.722 151 H GLY 40 H GLY 40 -10.852 8.242 -8.583 152 HA2 GLY 40 HA2 GLY 40 -12.932 7.935 -9.666 153 HA3 GLY 40 HA3 GLY 40 -12.968 6.280 -9.077 154 H LEU 41 H LEU 41 -12.163 8.835 -6.883 155 HA LEU 41 HA LEU 41 -14.828 8.568 -5.653 156 HB2 LEU 41 HB2 LEU 41 -12.583 7.731 -4.514 157 HB3 LEU 41 HB3 LEU 41 -12.481 9.426 -4.046 158 HG LEU 41 HG LEU 41 -15.037 8.789 -3.315 159 HD11 LEU 41 HD11 LEU 41 -13.626 6.508 -2.134 160 HD12 LEU 41 HD12 LEU 41 -13.996 6.338 -3.849 161 HD13 LEU 41 HD13 LEU 41 -15.293 6.650 -2.695 162 HD21 LEU 41 HD21 LEU 41 -12.884 8.259 -1.347 163 HD22 LEU 41 HD22 LEU 41 -14.311 9.288 -1.219 164 HD23 LEU 41 HD23 LEU 41 -12.903 9.841 -2.128 165 H GLN 42 H GLN 42 -13.380 10.578 -7.569 166 HA GLN 42 HA GLN 42 -13.125 13.046 -6.328 167 HB2 GLN 42 HB2 GLN 42 -12.666 12.305 -8.788 168 HB3 GLN 42 HB3 GLN 42 -14.323 12.824 -9.067 169 HG2 GLN 42 HG2 GLN 42 -12.949 14.848 -7.602 170 HG3 GLN 42 HG3 GLN 42 -11.986 14.392 -9.006 171 HE21 GLN 42 HE21 GLN 42 -14.107 16.573 -8.027 172 HE22 GLN 42 HE22 GLN 42 -14.952 16.901 -9.498 173 H GLN 43 H GLN 43 -15.964 11.227 -7.059 174 HA GLN 43 HA GLN 43 -17.857 13.315 -7.115 175 HB2 GLN 43 HB2 GLN 43 -19.520 11.577 -6.689 176 HB3 GLN 43 HB3 GLN 43 -18.360 11.047 -7.899 177 HG2 GLN 43 HG2 GLN 43 -17.282 10.175 -5.504 178 HG3 GLN 43 HG3 GLN 43 -19.014 9.896 -5.331 179 HE21 GLN 43 HE21 GLN 43 -16.730 8.040 -5.664 180 HE22 GLN 43 HE22 GLN 43 -17.140 7.054 -7.022 181 H TYR 44 H TYR 44 -16.361 11.535 -4.492 182 HA TYR 44 HA TYR 44 -18.098 12.742 -2.503 183 HB2 TYR 44 HB2 TYR 44 -16.359 10.456 -2.621 184 HB3 TYR 44 HB3 TYR 44 -15.918 11.459 -1.244 185 HD1 TYR 44 HD2 TYR 44 -18.466 12.513 -0.328 186 HD2 TYR 44 HD1 TYR 44 -17.520 8.630 -1.790 187 HE1 TYR 44 HE2 TYR 44 -20.341 11.577 0.959 188 HE2 TYR 44 HE1 TYR 44 -19.393 7.684 -0.507 189 HH TYR 44 HH TYR 44 -21.674 8.672 0.419 190 H GLU 45 H GLU 45 -15.748 13.986 -4.265 191 HA GLU 45 HA GLU 45 -13.804 15.014 -2.582 192 HB2 GLU 45 HB2 GLU 45 -13.589 15.298 -4.946 193 HB3 GLU 45 HB3 GLU 45 -15.095 16.200 -5.038 194 HG2 GLU 45 HG2 GLU 45 -14.139 18.079 -3.954 195 HG3 GLU 45 HG3 GLU 45 -12.693 17.170 -3.516 196 H SER 46 H SER 46 -17.039 16.269 -3.282 197 HA SER 46 HA SER 46 -16.935 18.709 -2.014 198 HB2 SER 46 HB2 SER 46 -19.172 16.712 -2.298 199 HB3 SER 46 HB3 SER 46 -19.419 18.262 -1.494 200 HG SER 46 HG SER 46 -18.887 17.706 -4.184 201 H LYS 47 H LYS 47 -17.968 15.636 -0.528 202 HA LYS 47 HA LYS 47 -18.266 16.575 2.075 203 HB2 LYS 47 HB2 LYS 47 -17.699 13.882 0.894 204 HB3 LYS 47 HB3 LYS 47 -17.642 14.087 2.639 205 HG2 LYS 47 HG2 LYS 47 -20.006 14.738 0.891 206 HG3 LYS 47 HG3 LYS 47 -19.818 13.273 1.857 207 HD2 LYS 47 HD2 LYS 47 -19.539 14.836 3.857 208 HD3 LYS 47 HD3 LYS 47 -20.152 16.109 2.799 209 HE2 LYS 47 HE2 LYS 47 -21.632 13.525 3.163 210 HE3 LYS 47 HE3 LYS 47 -21.823 14.859 4.299 211 HZ1 LYS 47 HZ1 LYS 47 -22.754 14.611 1.557 212 HZ2 LYS 47 HZ2 LYS 47 -22.176 16.135 2.004 213 HZ3 LYS 47 HZ3 LYS 47 -23.446 15.428 2.867 214 H LEU 48 H LEU 48 -15.396 15.391 0.399 215 HA LEU 48 HA LEU 48 -13.726 15.495 2.725 216 HB2 LEU 48 HB2 LEU 48 -13.526 14.214 0.377 217 HB3 LEU 48 HB3 LEU 48 -12.513 15.614 0.031 218 HG LEU 48 HG LEU 48 -11.960 14.163 2.553 219 HD11 LEU 48 HD11 LEU 48 -12.405 12.366 0.882 220 HD12 LEU 48 HD12 LEU 48 -10.753 12.393 1.498 221 HD13 LEU 48 HD13 LEU 48 -11.105 13.035 -0.106 222 HD21 LEU 48 HD21 LEU 48 -10.338 15.472 0.381 223 HD22 LEU 48 HD22 LEU 48 -9.619 14.586 1.726 224 HD23 LEU 48 HD23 LEU 48 -10.588 16.028 2.036 225 H LEU 49 H LEU 49 -15.064 17.861 0.835 226 HA LEU 49 HA LEU 49 -12.805 19.704 1.209 227 HB2 LEU 49 HB2 LEU 49 -13.521 19.677 -1.049 228 HB3 LEU 49 HB3 LEU 49 -15.218 19.786 -0.584 229 HG LEU 49 HG LEU 49 -14.953 22.086 0.059 230 HD11 LEU 49 HD11 LEU 49 -12.545 23.023 -0.653 231 HD12 LEU 49 HD12 LEU 49 -12.083 21.415 -0.093 232 HD13 LEU 49 HD13 LEU 49 -12.942 22.512 0.989 233 HD21 LEU 49 HD21 LEU 49 -13.871 21.305 -2.622 234 HD22 LEU 49 HD22 LEU 49 -14.016 23.003 -2.166 235 HD23 LEU 49 HD23 LEU 49 -15.449 21.974 -2.206 236 H LEU 50 H LEU 50 -16.207 19.205 1.936 237 HA LEU 50 HA LEU 50 -16.494 21.732 3.289 238 HB2 LEU 50 HB2 LEU 50 -18.210 19.678 2.335 239 HB3 LEU 50 HB3 LEU 50 -18.528 19.901 4.055 240 HG LEU 50 HG LEU 50 -18.746 21.972 1.874 241 HD11 LEU 50 HD11 LEU 50 -20.641 20.532 1.898 242 HD12 LEU 50 HD12 LEU 50 -21.109 22.035 2.692 243 HD13 LEU 50 HD13 LEU 50 -20.750 20.603 3.656 244 HD21 LEU 50 HD21 LEU 50 -18.494 22.230 4.804 245 HD22 LEU 50 HD22 LEU 50 -19.774 23.175 4.044 246 HD23 LEU 50 HD23 LEU 50 -18.102 23.376 3.522 247 H ASN 51 H ASN 51 -15.315 18.639 4.094 248 HA ASN 51 HA ASN 51 -15.771 19.009 6.955 249 HB2 ASN 51 HB2 ASN 51 -14.897 16.721 5.238 250 HB3 ASN 51 HB3 ASN 51 -14.450 16.724 6.942 251 HD21 ASN 51 HD21 ASN 51 -16.687 15.684 4.804 252 HD22 ASN 51 HD22 ASN 51 -18.041 15.491 5.860 253 H GLY 52 H GLY 52 -13.866 20.605 5.207 254 HA2 GLY 52 HA2 GLY 52 -11.738 21.468 5.332 255 HA3 GLY 52 HA3 GLY 52 -11.896 21.152 7.053 256 H PHE 53 H PHE 53 -11.766 18.818 4.393 257 HA PHE 53 HA PHE 53 -9.262 17.783 5.549 258 HB2 PHE 53 HB2 PHE 53 -11.680 16.459 5.421 259 HB3 PHE 53 HB3 PHE 53 -10.828 15.856 4.002 260 HD1 PHE 53 HD1 PHE 53 -8.053 15.807 4.934 261 HD2 PHE 53 HD2 PHE 53 -11.644 14.715 6.940 262 HE1 PHE 53 HE1 PHE 53 -6.782 14.252 6.357 263 HE2 PHE 53 HE2 PHE 53 -10.380 13.160 8.366 264 HZ PHE 53 HZ PHE 53 -7.945 12.927 8.076 265 H ASP 54 H ASP 54 -10.215 19.563 3.123 266 HA ASP 54 HA ASP 54 -9.317 18.211 0.799 267 HB2 ASP 54 HB2 ASP 54 -9.644 20.224 -0.332 268 HB3 ASP 54 HB3 ASP 54 -10.777 20.348 1.012 269 H ASP 55 H ASP 55 -7.669 19.641 3.414 270 HA ASP 55 HA ASP 55 -5.319 20.553 2.198 271 HB2 ASP 55 HB2 ASP 55 -5.785 19.375 4.943 272 HB3 ASP 55 HB3 ASP 55 -4.270 20.123 4.444 273 H VAL 56 H VAL 56 -4.485 19.235 0.639 274 HA VAL 56 HA VAL 56 -4.217 16.445 0.810 275 HB VAL 56 HB VAL 56 -2.547 18.373 -0.809 276 HG11 VAL 56 HG11 VAL 56 -1.347 16.487 -1.132 277 HG12 VAL 56 HG12 VAL 56 -2.674 15.430 -0.650 278 HG13 VAL 56 HG13 VAL 56 -2.640 16.120 -2.273 279 HG21 VAL 56 HG21 VAL 56 -5.305 17.577 -1.011 280 HG22 VAL 56 HG22 VAL 56 -4.410 18.765 -1.959 281 HG23 VAL 56 HG23 VAL 56 -4.405 17.069 -2.440 282 H HIS 57 H HIS 57 -2.415 18.975 2.251 283 HA HIS 57 HA HIS 57 -0.074 17.299 2.713 284 HB2 HIS 57 HB2 HIS 57 -0.713 20.193 3.126 285 HB3 HIS 57 HB3 HIS 57 0.599 19.464 4.048 286 HD1 HIS 57 HD1 HIS 57 -0.059 18.456 0.499 287 HD2 HIS 57 HD2 HIS 57 2.574 20.844 2.650 288 HE1 HIS 57 HE1 HIS 57 1.769 19.066 -1.117 289 H PHE 58 H PHE 58 -2.891 17.021 3.941 290 HA PHE 58 HA PHE 58 -2.015 16.937 6.754 291 HB2 PHE 58 HB2 PHE 58 -4.330 18.106 5.589 292 HB3 PHE 58 HB3 PHE 58 -4.858 16.725 6.546 293 HD1 PHE 58 HD2 PHE 58 -4.309 16.622 8.963 294 HD2 PHE 58 HD1 PHE 58 -3.551 20.087 6.613 295 HE1 PHE 58 HE2 PHE 58 -4.112 17.965 11.015 296 HE2 PHE 58 HE1 PHE 58 -3.352 21.437 8.660 297 HZ PHE 58 HZ PHE 58 -3.634 20.377 10.865 298 H LEU 59 H LEU 59 -3.068 15.134 4.059 299 HA LEU 59 HA LEU 59 -4.338 12.948 5.214 300 HB2 LEU 59 HB2 LEU 59 -2.428 12.849 2.887 301 HB3 LEU 59 HB3 LEU 59 -3.724 11.710 3.246 302 HG LEU 59 HG LEU 59 -4.303 14.595 2.651 303 HD11 LEU 59 HD11 LEU 59 -2.978 13.770 0.788 304 HD12 LEU 59 HD12 LEU 59 -4.667 13.959 0.315 305 HD13 LEU 59 HD13 LEU 59 -4.021 12.354 0.655 306 HD21 LEU 59 HD21 LEU 59 -6.163 13.474 3.563 307 HD22 LEU 59 HD22 LEU 59 -5.860 12.024 2.605 308 HD23 LEU 59 HD23 LEU 59 -6.433 13.497 1.820 309 H GLY 60 H GLY 60 -0.996 13.869 5.252 310 HA2 GLY 60 HA2 GLY 60 -0.186 11.240 6.269 311 HA3 GLY 60 HA3 GLY 60 0.896 12.539 5.787 312 H SER 61 H SER 61 -1.756 13.470 7.736 313 HA SER 61 HA SER 61 -0.139 13.315 10.180 314 HB2 SER 61 HB2 SER 61 -0.050 15.606 8.936 315 HB3 SER 61 HB3 SER 61 -1.684 15.818 9.564 316 HG SER 61 HG SER 61 0.235 16.564 10.871 317 H ASN 62 H ASN 62 -3.314 14.308 8.900 318 HA ASN 62 HA ASN 62 -4.798 14.117 11.218 319 HB2 ASN 62 HB2 ASN 62 -5.411 14.737 8.685 320 HB3 ASN 62 HB3 ASN 62 -6.070 13.105 8.727 321 HD21 ASN 62 HD21 ASN 62 -6.915 16.186 9.021 322 HD22 ASN 62 HD22 ASN 62 -8.231 16.058 10.133 323 H VAL 63 H VAL 63 -6.480 12.430 11.721 324 HA VAL 63 HA VAL 63 -5.210 9.956 12.248 325 HB VAL 63 HB VAL 63 -6.921 10.785 13.744 326 HG11 VAL 63 HG11 VAL 63 -9.127 10.174 11.855 327 HG12 VAL 63 HG12 VAL 63 -9.051 11.352 13.167 328 HG13 VAL 63 HG13 VAL 63 -8.250 11.686 11.630 329 HG21 VAL 63 HG21 VAL 63 -8.320 8.757 13.936 330 HG22 VAL 63 HG22 VAL 63 -7.748 8.240 12.349 331 HG23 VAL 63 HG23 VAL 63 -6.613 8.387 13.691 332 H MET 64 H MET 64 -7.716 10.921 9.930 333 HA MET 64 HA MET 64 -8.667 9.819 8.169 334 HB2 MET 64 HB2 MET 64 -5.739 9.233 7.991 335 HB3 MET 64 HB3 MET 64 -6.834 8.469 6.846 336 HG2 MET 64 HG2 MET 64 -7.358 11.298 7.082 337 HG3 MET 64 HG3 MET 64 -5.681 10.980 6.641 338 HE1 MET 64 HE1 MET 64 -9.364 9.573 4.264 339 HE2 MET 64 HE2 MET 64 -9.129 9.377 6.001 340 HE3 MET 64 HE3 MET 64 -9.429 10.980 5.327 341 H GLU 65 H GLU 65 -9.465 8.511 10.295 342 HA GLU 65 HA GLU 65 -8.792 5.680 9.978 343 HB2 GLU 65 HB2 GLU 65 -9.511 7.327 12.199 344 HB3 GLU 65 HB3 GLU 65 -10.724 6.066 12.026 345 HG2 GLU 65 HG2 GLU 65 -8.794 4.426 11.923 346 HG3 GLU 65 HG3 GLU 65 -7.773 5.757 12.464 347 H GLU 66 H GLU 66 -10.977 4.344 10.662 348 HA GLU 66 HA GLU 66 -12.564 4.383 8.338 349 HB2 GLU 66 HB2 GLU 66 -12.351 2.317 9.477 350 HB3 GLU 66 HB3 GLU 66 -12.878 3.014 11.001 351 HG2 GLU 66 HG2 GLU 66 -15.072 2.861 10.480 352 HG3 GLU 66 HG3 GLU 66 -14.796 3.128 8.759 353 H GLN 67 H GLN 67 -13.162 5.567 11.621 354 HA GLN 67 HA GLN 67 -15.839 6.317 11.273 355 HB2 GLN 67 HB2 GLN 67 -14.375 6.204 13.422 356 HB3 GLN 67 HB3 GLN 67 -13.967 7.869 13.030 357 HG2 GLN 67 HG2 GLN 67 -16.812 7.447 12.896 358 HG3 GLN 67 HG3 GLN 67 -16.169 6.963 14.463 359 HE21 GLN 67 HE21 GLN 67 -17.834 9.279 13.506 360 HE22 GLN 67 HE22 GLN 67 -17.030 10.674 14.132 361 H ASP 68 H ASP 68 -12.844 8.162 10.814 362 HA ASP 68 HA ASP 68 -13.973 10.632 10.195 363 HB2 ASP 68 HB2 ASP 68 -11.399 9.527 10.228 364 HB3 ASP 68 HB3 ASP 68 -11.624 10.116 8.584 365 H LEU 69 H LEU 69 -13.138 7.930 8.049 366 HA LEU 69 HA LEU 69 -13.924 9.200 5.652 367 HB2 LEU 69 HB2 LEU 69 -13.948 6.239 6.188 368 HB3 LEU 69 HB3 LEU 69 -13.770 7.049 4.633 369 HG LEU 69 HG LEU 69 -11.693 7.638 6.650 370 HD11 LEU 69 HD11 LEU 69 -12.412 5.023 6.476 371 HD12 LEU 69 HD12 LEU 69 -10.789 5.599 6.860 372 HD13 LEU 69 HD13 LEU 69 -11.194 5.138 5.206 373 HD21 LEU 69 HD21 LEU 69 -11.886 8.382 4.178 374 HD22 LEU 69 HD22 LEU 69 -11.306 6.756 3.816 375 HD23 LEU 69 HD23 LEU 69 -10.323 7.847 4.794 376 H ARG 70 H ARG 70 -15.640 7.105 7.924 377 HA ARG 70 HA ARG 70 -18.009 6.853 6.402 378 HB2 ARG 70 HB2 ARG 70 -17.514 5.308 8.205 379 HB3 ARG 70 HB3 ARG 70 -17.546 6.617 9.379 380 HG2 ARG 70 HG2 ARG 70 -19.867 6.855 9.222 381 HG3 ARG 70 HG3 ARG 70 -19.946 5.937 7.717 382 HD2 ARG 70 HD2 ARG 70 -18.792 4.174 9.509 383 HD3 ARG 70 HD3 ARG 70 -20.009 5.013 10.471 384 HE ARG 70 HE ARG 70 -21.660 4.001 9.226 385 HH11 ARG 70 HH11 ARG 70 -18.562 3.485 7.724 386 HH12 ARG 70 HH12 ARG 70 -19.158 2.312 6.597 387 HH21 ARG 70 HH21 ARG 70 -22.456 2.458 7.748 388 HH22 ARG 70 HH22 ARG 70 -21.373 1.729 6.611 389 H ASP 71 H ASP 71 -16.957 9.166 8.848 390 HA ASP 71 HA ASP 71 -19.402 10.507 9.190 391 HB2 ASP 71 HB2 ASP 71 -17.605 10.847 10.762 392 HB3 ASP 71 HB3 ASP 71 -16.557 11.482 9.496 393 H ILE 72 H ILE 72 -16.845 10.857 6.808 394 HA ILE 72 HA ILE 72 -18.064 13.212 5.636 395 HB ILE 72 HB ILE 72 -16.248 13.109 3.996 396 HG12 ILE 72 HG12 ILE 72 -15.254 10.682 5.495 397 HG13 ILE 72 HG13 ILE 72 -16.141 10.585 3.978 398 HG21 ILE 72 HG21 ILE 72 -14.903 14.152 5.435 399 HG22 ILE 72 HG22 ILE 72 -16.038 13.670 6.694 400 HG23 ILE 72 HG23 ILE 72 -14.621 12.676 6.356 401 HD11 ILE 72 HD11 ILE 72 -13.564 10.494 3.953 402 HD12 ILE 72 HD12 ILE 72 -14.400 11.488 2.759 403 HD13 ILE 72 HD13 ILE 72 -13.665 12.241 4.174 404 H GLY 73 H GLY 73 -19.010 10.160 5.625 405 HA2 GLY 73 HA2 GLY 73 -20.823 9.493 4.188 406 HA3 GLY 73 HA3 GLY 73 -20.031 10.341 2.868 407 H ILE 74 H ILE 74 -17.414 9.323 3.270 408 HA ILE 74 HA ILE 74 -17.493 7.007 1.728 409 HB ILE 74 HB ILE 74 -15.258 7.837 3.581 410 HG12 ILE 74 HG12 ILE 74 -15.809 8.611 0.708 411 HG13 ILE 74 HG13 ILE 74 -15.897 9.678 2.104 412 HG21 ILE 74 HG21 ILE 74 -14.095 6.130 2.766 413 HG22 ILE 74 HG22 ILE 74 -15.562 5.567 1.968 414 HG23 ILE 74 HG23 ILE 74 -14.442 6.626 1.110 415 HD11 ILE 74 HD11 ILE 74 -13.420 9.048 2.445 416 HD12 ILE 74 HD12 ILE 74 -13.497 8.518 0.765 417 HD13 ILE 74 HD13 ILE 74 -13.850 10.195 1.179 418 H SER 75 H SER 75 -18.730 5.351 2.482 419 HA SER 75 HA SER 75 -17.936 4.170 5.064 420 HB2 SER 75 HB2 SER 75 -20.343 3.047 4.662 421 HB3 SER 75 HB3 SER 75 -20.142 4.588 5.495 422 HG SER 75 HG SER 75 -21.729 4.476 3.702 423 H ASP 76 H ASP 76 -18.512 3.634 1.678 424 HA ASP 76 HA ASP 76 -18.617 0.854 1.581 425 HB2 ASP 76 HB2 ASP 76 -18.043 3.027 -0.294 426 HB3 ASP 76 HB3 ASP 76 -17.202 1.530 -0.689 427 HA PRO 77 HA PRO 77 -14.621 -0.565 2.720 428 HB2 PRO 77 HB2 PRO 77 -14.450 -2.818 1.215 429 HB3 PRO 77 HB3 PRO 77 -15.496 -2.688 2.634 430 HG2 PRO 77 HG2 PRO 77 -16.195 -2.425 -0.264 431 HG3 PRO 77 HG3 PRO 77 -17.068 -3.274 1.024 432 HD2 PRO 77 HD2 PRO 77 -17.797 -0.819 0.142 433 HD3 PRO 77 HD3 PRO 77 -18.024 -1.335 1.825 434 H GLN 78 H GLN 78 -15.248 -0.738 -0.786 435 HA GLN 78 HA GLN 78 -12.484 -0.604 -1.483 436 HB2 GLN 78 HB2 GLN 78 -14.921 -0.083 -3.194 437 HB3 GLN 78 HB3 GLN 78 -13.287 -0.356 -3.785 438 HG2 GLN 78 HG2 GLN 78 -13.478 -2.599 -2.489 439 HG3 GLN 78 HG3 GLN 78 -15.211 -2.290 -2.579 440 HE21 GLN 78 HE21 GLN 78 -16.007 -3.557 -4.096 441 HE22 GLN 78 HE22 GLN 78 -15.361 -3.768 -5.685 442 H HIS 79 H HIS 79 -14.634 1.695 -0.364 443 HA HIS 79 HA HIS 79 -13.260 3.899 -1.738 444 HB2 HIS 79 HB2 HIS 79 -15.843 3.846 -0.168 445 HB3 HIS 79 HB3 HIS 79 -15.115 5.309 -0.826 446 HD1 HIS 79 HD1 HIS 79 -17.646 5.196 -2.001 447 HD2 HIS 79 HD2 HIS 79 -14.693 2.645 -3.425 448 HE1 HIS 79 HE1 HIS 79 -18.414 4.490 -4.289 449 H ARG 80 H ARG 80 -13.753 2.400 1.354 450 HA ARG 80 HA ARG 80 -12.654 4.605 2.859 451 HB2 ARG 80 HB2 ARG 80 -13.926 2.036 3.447 452 HB3 ARG 80 HB3 ARG 80 -12.592 2.415 4.530 453 HG2 ARG 80 HG2 ARG 80 -13.660 4.603 4.996 454 HG3 ARG 80 HG3 ARG 80 -15.037 4.093 4.016 455 HD2 ARG 80 HD2 ARG 80 -15.329 3.770 6.479 456 HD3 ARG 80 HD3 ARG 80 -15.539 2.309 5.514 457 HE ARG 80 HE ARG 80 -13.347 2.897 7.347 458 HH11 ARG 80 HH11 ARG 80 -14.770 0.766 4.991 459 HH12 ARG 80 HH12 ARG 80 -13.802 -0.597 5.447 460 HH21 ARG 80 HH21 ARG 80 -12.067 1.111 7.957 461 HH22 ARG 80 HH22 ARG 80 -12.265 -0.400 7.135 462 H ARG 81 H ARG 81 -11.582 1.420 1.755 463 HA ARG 81 HA ARG 81 -9.037 1.554 3.033 464 HB2 ARG 81 HB2 ARG 81 -10.514 -0.401 1.706 465 HB3 ARG 81 HB3 ARG 81 -9.109 -0.148 0.678 466 HG2 ARG 81 HG2 ARG 81 -8.140 -1.651 2.020 467 HG3 ARG 81 HG3 ARG 81 -7.945 -0.286 3.122 468 HD2 ARG 81 HD2 ARG 81 -9.499 -1.060 4.559 469 HD3 ARG 81 HD3 ARG 81 -10.542 -1.656 3.269 470 HE ARG 81 HE ARG 81 -8.149 -3.207 3.634 471 HH11 ARG 81 HH11 ARG 81 -11.440 -2.728 4.664 472 HH12 ARG 81 HH12 ARG 81 -11.635 -4.352 5.237 473 HH21 ARG 81 HH21 ARG 81 -8.392 -5.347 4.386 474 HH22 ARG 81 HH22 ARG 81 -9.900 -5.840 5.079 475 H LYS 82 H LYS 82 -10.254 2.394 -0.160 476 HA LYS 82 HA LYS 82 -7.746 2.843 -1.387 477 HB2 LYS 82 HB2 LYS 82 -10.205 2.666 -2.365 478 HB3 LYS 82 HB3 LYS 82 -10.143 4.417 -2.213 479 HG2 LYS 82 HG2 LYS 82 -8.592 4.648 -3.858 480 HG3 LYS 82 HG3 LYS 82 -7.862 3.071 -3.544 481 HD2 LYS 82 HD2 LYS 82 -10.088 2.115 -4.435 482 HD3 LYS 82 HD3 LYS 82 -10.338 3.731 -5.103 483 HE2 LYS 82 HE2 LYS 82 -9.112 3.117 -6.853 484 HE3 LYS 82 HE3 LYS 82 -7.716 3.050 -5.779 485 HZ1 LYS 82 HZ1 LYS 82 -8.395 0.714 -5.272 486 HZ2 LYS 82 HZ2 LYS 82 -7.869 0.970 -6.859 487 HZ3 LYS 82 HZ3 LYS 82 -9.521 0.822 -6.529 488 H LEU 83 H LEU 83 -10.001 4.987 0.309 489 HA LEU 83 HA LEU 83 -8.471 7.349 -0.120 490 HB2 LEU 83 HB2 LEU 83 -10.994 6.795 0.787 491 HB3 LEU 83 HB3 LEU 83 -10.171 7.304 2.260 492 HG LEU 83 HG LEU 83 -11.366 9.148 1.165 493 HD11 LEU 83 HD11 LEU 83 -8.939 9.226 2.316 494 HD12 LEU 83 HD12 LEU 83 -9.798 10.656 1.748 495 HD13 LEU 83 HD13 LEU 83 -8.555 9.918 0.740 496 HD21 LEU 83 HD21 LEU 83 -10.659 8.068 -1.178 497 HD22 LEU 83 HD22 LEU 83 -9.390 9.284 -1.031 498 HD23 LEU 83 HD23 LEU 83 -11.086 9.770 -0.995 499 H LEU 84 H LEU 84 -8.177 4.711 2.025 500 HA LEU 84 HA LEU 84 -6.562 6.229 3.932 501 HB2 LEU 84 HB2 LEU 84 -8.130 3.797 4.015 502 HB3 LEU 84 HB3 LEU 84 -6.511 3.548 4.665 503 HG LEU 84 HG LEU 84 -6.852 5.114 6.392 504 HD11 LEU 84 HD11 LEU 84 -9.246 5.998 4.807 505 HD12 LEU 84 HD12 LEU 84 -7.839 6.945 5.287 506 HD13 LEU 84 HD13 LEU 84 -9.011 6.432 6.500 507 HD21 LEU 84 HD21 LEU 84 -8.919 4.318 7.488 508 HD22 LEU 84 HD22 LEU 84 -7.940 3.007 6.827 509 HD23 LEU 84 HD23 LEU 84 -9.390 3.541 5.976 510 H GLN 85 H GLN 85 -6.253 4.101 1.251 511 HA GLN 85 HA GLN 85 -3.544 3.300 1.891 512 HB2 GLN 85 HB2 GLN 85 -5.351 1.952 0.579 513 HB3 GLN 85 HB3 GLN 85 -4.823 2.916 -0.793 514 HG2 GLN 85 HG2 GLN 85 -2.456 2.123 -0.151 515 HG3 GLN 85 HG3 GLN 85 -3.298 0.886 0.781 516 HE21 GLN 85 HE21 GLN 85 -1.602 0.267 -1.313 517 HE22 GLN 85 HE22 GLN 85 -2.525 -0.407 -2.608 518 H ALA 86 H ALA 86 -5.189 5.558 -0.249 519 HA ALA 86 HA ALA 86 -2.763 6.366 -1.577 520 HB1 ALA 86 HB1 ALA 86 -4.085 7.608 -2.966 521 HB2 ALA 86 HB2 ALA 86 -5.266 6.422 -2.408 522 HB3 ALA 86 HB3 ALA 86 -5.224 8.031 -1.687 523 H ALA 87 H ALA 87 -4.360 7.175 1.327 524 HA ALA 87 HA ALA 87 -3.258 9.850 1.504 525 HB1 ALA 87 HB1 ALA 87 -4.250 9.731 3.841 526 HB2 ALA 87 HB2 ALA 87 -5.382 9.641 2.491 527 HB3 ALA 87 HB3 ALA 87 -4.926 8.175 3.358 528 H ARG 88 H ARG 88 -2.778 6.703 3.075 529 HA ARG 88 HA ARG 88 -0.642 7.636 4.736 530 HB2 ARG 88 HB2 ARG 88 -2.116 5.156 4.332 531 HB3 ARG 88 HB3 ARG 88 -0.398 4.875 4.578 532 HG2 ARG 88 HG2 ARG 88 -0.534 5.333 6.749 533 HG3 ARG 88 HG3 ARG 88 -1.478 6.797 6.463 534 HD2 ARG 88 HD2 ARG 88 -3.099 5.626 7.508 535 HD3 ARG 88 HD3 ARG 88 -3.332 4.931 5.905 536 HE ARG 88 HE ARG 88 -2.516 2.934 6.684 537 HH11 ARG 88 HH11 ARG 88 -1.796 5.451 8.978 538 HH12 ARG 88 HH12 ARG 88 -1.244 4.357 10.202 539 HH21 ARG 88 HH21 ARG 88 -1.790 1.484 8.288 540 HH22 ARG 88 HH22 ARG 88 -1.239 2.100 9.808 541 H SER 89 H SER 89 -0.899 6.482 1.507 542 HA SER 89 HA SER 89 1.775 5.538 1.213 543 HB2 SER 89 HB2 SER 89 1.280 5.676 -1.235 544 HB3 SER 89 HB3 SER 89 0.072 4.770 -0.325 545 HG SER 89 HG SER 89 -0.176 7.510 -1.019 546 H LEU 90 H LEU 90 0.511 8.609 1.605 547 HA LEU 90 HA LEU 90 2.370 10.018 -0.091 548 HB2 LEU 90 HB2 LEU 90 0.202 10.746 1.795 549 HB3 LEU 90 HB3 LEU 90 1.459 11.948 1.507 550 HG LEU 90 HG LEU 90 0.522 10.918 -1.000 551 HD11 LEU 90 HD11 LEU 90 -1.676 12.279 0.492 552 HD12 LEU 90 HD12 LEU 90 -1.501 10.528 0.587 553 HD13 LEU 90 HD13 LEU 90 -1.749 11.305 -0.977 554 HD21 LEU 90 HD21 LEU 90 1.555 13.002 -0.992 555 HD22 LEU 90 HD22 LEU 90 0.622 13.568 0.394 556 HD23 LEU 90 HD23 LEU 90 -0.154 13.396 -1.181 557 HA PRO 91 HA PRO 91 5.752 10.511 2.660 558 HB2 PRO 91 HB2 PRO 91 6.489 13.088 2.231 559 HB3 PRO 91 HB3 PRO 91 6.756 11.803 1.048 560 HG2 PRO 91 HG2 PRO 91 4.582 13.857 1.154 561 HG3 PRO 91 HG3 PRO 91 5.517 13.290 -0.242 562 HD2 PRO 91 HD2 PRO 91 3.008 12.415 0.284 563 HD3 PRO 91 HD3 PRO 91 4.235 11.389 -0.487 564 H LYS 92 H LYS 92 6.690 12.211 4.309 565 HA LYS 92 HA LYS 92 6.466 13.171 6.359 566 HB2 LYS 92 HB2 LYS 92 4.085 14.332 4.926 567 HB3 LYS 92 HB3 LYS 92 4.472 14.767 6.584 568 HG2 LYS 92 HG2 LYS 92 5.625 16.421 5.602 569 HG3 LYS 92 HG3 LYS 92 6.864 15.178 5.419 570 HD2 LYS 92 HD2 LYS 92 6.786 15.553 3.225 571 HD3 LYS 92 HD3 LYS 92 5.172 14.833 3.230 572 HE2 LYS 92 HE2 LYS 92 4.347 17.174 3.877 573 HE3 LYS 92 HE3 LYS 92 5.941 17.733 3.372 574 HZ1 LYS 92 HZ1 LYS 92 4.559 17.951 1.507 575 HZ2 LYS 92 HZ2 LYS 92 3.863 16.425 1.719 576 HZ3 LYS 92 HZ3 LYS 92 5.471 16.557 1.208 577 H VAL 93 H VAL 93 5.768 10.589 6.420 578 HA VAL 93 HA VAL 93 3.410 10.555 8.187 579 HB VAL 93 HB VAL 93 2.947 9.414 6.031 580 HG11 VAL 93 HG11 VAL 93 5.508 8.497 6.205 581 HG12 VAL 93 HG12 VAL 93 4.582 7.075 6.688 582 HG13 VAL 93 HG13 VAL 93 4.271 7.844 5.131 583 HG21 VAL 93 HG21 VAL 93 3.071 7.456 8.315 584 HG22 VAL 93 HG22 VAL 93 1.892 8.764 8.216 585 HG23 VAL 93 HG23 VAL 93 1.909 7.497 6.989 586 H LYS 94 H LYS 94 3.489 9.130 9.962 587 HA LYS 94 HA LYS 94 6.221 8.449 10.784 588 HB2 LYS 94 HB2 LYS 94 5.304 8.355 13.066 589 HB3 LYS 94 HB3 LYS 94 4.996 9.910 12.303 590 HG2 LYS 94 HG2 LYS 94 2.740 9.555 12.166 591 HG3 LYS 94 HG3 LYS 94 2.908 7.798 12.128 592 HD2 LYS 94 HD2 LYS 94 3.498 7.788 14.491 593 HD3 LYS 94 HD3 LYS 94 3.394 9.550 14.539 594 HE2 LYS 94 HE2 LYS 94 1.343 8.860 15.397 595 HE3 LYS 94 HE3 LYS 94 0.982 9.218 13.709 596 HZ1 LYS 94 HZ1 LYS 94 0.301 6.947 14.928 597 HZ2 LYS 94 HZ2 LYS 94 1.783 6.488 14.257 598 HZ3 LYS 94 HZ3 LYS 94 0.550 7.076 13.260 599 H ALA 95 H ALA 95 5.061 6.742 8.920 600 HA ALA 95 HA ALA 95 5.320 4.243 10.249 601 HB1 ALA 95 HB1 ALA 95 3.223 3.608 10.633 602 HB2 ALA 95 HB2 ALA 95 2.752 5.286 10.354 603 HB3 ALA 95 HB3 ALA 95 2.699 4.123 9.029 604 H LEU 96 H LEU 96 6.750 3.579 8.734 605 HA LEU 96 HA LEU 96 7.574 2.813 6.757 606 HB2 LEU 96 HB2 LEU 96 4.659 2.310 6.583 607 HB3 LEU 96 HB3 LEU 96 5.588 2.175 5.091 608 HG LEU 96 HG LEU 96 7.102 0.633 6.660 609 HD11 LEU 96 HD11 LEU 96 6.038 0.590 8.680 610 HD12 LEU 96 HD12 LEU 96 5.258 -0.782 7.895 611 HD13 LEU 96 HD13 LEU 96 4.435 0.776 7.968 612 HD21 LEU 96 HD21 LEU 96 5.043 -1.088 5.870 613 HD22 LEU 96 HD22 LEU 96 6.510 -0.687 4.975 614 HD23 LEU 96 HD23 LEU 96 5.031 0.237 4.706 615 H GLY 97 H GLY 97 7.287 3.115 4.221 616 HA2 GLY 97 HA2 GLY 97 6.097 5.263 3.029 617 HA3 GLY 97 HA3 GLY 97 7.526 5.947 3.786 618 H TYR 98 H TYR 98 6.746 3.021 1.897 619 HA TYR 98 HA TYR 98 8.404 3.760 -0.282 620 HB2 TYR 98 HB2 TYR 98 10.126 1.969 0.023 621 HB3 TYR 98 HB3 TYR 98 10.246 3.280 1.192 622 HD1 TYR 98 HD2 TYR 98 9.516 2.918 3.533 623 HD2 TYR 98 HD1 TYR 98 9.641 -0.266 0.713 624 HE1 TYR 98 HE2 TYR 98 9.423 1.291 5.375 625 HE2 TYR 98 HE1 TYR 98 9.548 -1.901 2.548 626 HH TYR 98 HH TYR 98 8.511 -1.471 5.345 627 H ASP 99 H ASP 99 7.648 2.737 -2.014 628 HA ASP 99 HA ASP 99 7.025 -0.008 -2.132 629 HB2 ASP 99 HB2 ASP 99 5.073 1.022 -0.760 630 HB3 ASP 99 HB3 ASP 99 4.536 1.665 -2.309 631 H GLY 100 H GLY 100 8.601 1.295 -3.765 632 HA2 GLY 100 HA2 GLY 100 8.857 1.193 -6.108 633 HA3 GLY 100 HA3 GLY 100 7.111 1.300 -6.281 634 H ASN 101 H ASN 101 7.161 2.958 -7.781 635 HA ASN 101 HA ASN 101 8.222 5.530 -6.815 636 HB2 ASN 101 HB2 ASN 101 7.936 4.385 -9.579 637 HB3 ASN 101 HB3 ASN 101 8.032 6.127 -9.336 638 HD21 ASN 101 HD21 ASN 101 9.944 5.320 -10.815 639 HD22 ASN 101 HD22 ASN 101 11.442 5.124 -9.975 Start of MODEL 10 1 H MET 21 H MET 21 14.306 -0.789 -1.506 2 HA MET 21 HA MET 21 13.536 1.527 -2.053 3 HB2 MET 21 HB2 MET 21 16.187 0.550 -3.092 4 HB3 MET 21 HB3 MET 21 15.737 2.248 -3.156 5 HG2 MET 21 HG2 MET 21 15.205 1.638 -0.559 6 HG3 MET 21 HG3 MET 21 16.594 0.607 -0.894 7 HE1 MET 21 HE1 MET 21 19.325 1.924 -1.042 8 HE2 MET 21 HE2 MET 21 19.033 2.800 0.460 9 HE3 MET 21 HE3 MET 21 18.302 1.214 0.208 10 H ILE 22 H ILE 22 11.976 0.073 -3.800 11 HA ILE 22 HA ILE 22 12.438 1.504 -6.332 12 HB ILE 22 HB ILE 22 11.188 -1.235 -6.151 13 HG12 ILE 22 HG12 ILE 22 13.579 -1.513 -7.507 14 HG13 ILE 22 HG13 ILE 22 13.999 -0.423 -6.190 15 HG21 ILE 22 HG21 ILE 22 12.344 -0.457 -8.682 16 HG22 ILE 22 HG22 ILE 22 10.710 -1.005 -8.311 17 HG23 ILE 22 HG23 ILE 22 11.126 0.700 -8.144 18 HD11 ILE 22 HD11 ILE 22 13.463 -1.994 -4.563 19 HD12 ILE 22 HD12 ILE 22 12.508 -2.966 -5.683 20 HD13 ILE 22 HD13 ILE 22 14.265 -2.936 -5.821 21 H SER 23 H SER 23 10.827 2.811 -6.874 22 HA SER 23 HA SER 23 8.074 2.107 -6.417 23 HB2 SER 23 HB2 SER 23 8.464 4.747 -5.270 24 HB3 SER 23 HB3 SER 23 7.612 3.353 -4.606 25 HG SER 23 HG SER 23 9.738 4.286 -3.627 26 H GLY 24 H GLY 24 9.955 5.113 -6.857 27 HA2 GLY 24 HA2 GLY 24 10.063 5.799 -9.314 28 HA3 GLY 24 HA3 GLY 24 8.312 5.659 -9.245 29 H LEU 25 H LEU 25 7.155 7.386 -8.637 30 HA LEU 25 HA LEU 25 8.646 9.760 -7.773 31 HB2 LEU 25 HB2 LEU 25 6.453 9.294 -9.575 32 HB3 LEU 25 HB3 LEU 25 5.990 10.460 -8.337 33 HG LEU 25 HG LEU 25 8.487 10.772 -9.983 34 HD11 LEU 25 HD11 LEU 25 6.001 12.275 -10.623 35 HD12 LEU 25 HD12 LEU 25 6.183 10.635 -11.243 36 HD13 LEU 25 HD13 LEU 25 7.375 11.869 -11.651 37 HD21 LEU 25 HD21 LEU 25 8.382 12.075 -7.935 38 HD22 LEU 25 HD22 LEU 25 6.799 12.702 -8.393 39 HD23 LEU 25 HD23 LEU 25 8.224 13.126 -9.342 40 H ARG 26 H ARG 26 7.289 11.292 -6.361 41 HA ARG 26 HA ARG 26 6.075 9.702 -4.198 42 HB2 ARG 26 HB2 ARG 26 7.501 12.363 -4.017 43 HB3 ARG 26 HB3 ARG 26 6.801 11.481 -2.666 44 HG2 ARG 26 HG2 ARG 26 8.644 10.279 -2.419 45 HG3 ARG 26 HG3 ARG 26 8.614 9.792 -4.116 46 HD2 ARG 26 HD2 ARG 26 10.574 10.932 -4.144 47 HD3 ARG 26 HD3 ARG 26 9.489 12.295 -4.416 48 HE ARG 26 HE ARG 26 9.677 12.213 -1.729 49 HH11 ARG 26 HH11 ARG 26 12.058 12.213 -4.268 50 HH12 ARG 26 HH12 ARG 26 13.259 13.026 -3.321 51 HH21 ARG 26 HH21 ARG 26 11.250 13.285 -0.471 52 HH22 ARG 26 HH22 ARG 26 12.798 13.635 -1.161 53 H THR 27 H THR 27 6.042 13.103 -5.275 54 HA THR 27 HA THR 27 3.107 13.011 -5.274 55 HB THR 27 HB THR 27 2.994 15.213 -4.180 56 HG1 THR 27 HG1 THR 27 4.860 16.249 -4.329 57 HG21 THR 27 HG21 THR 27 2.850 13.087 -2.866 58 HG22 THR 27 HG22 THR 27 3.409 14.477 -1.934 59 HG23 THR 27 HG23 THR 27 4.563 13.266 -2.491 60 H LEU 28 H LEU 28 2.254 15.197 -6.197 61 HA LEU 28 HA LEU 28 3.992 16.404 -8.174 62 HB2 LEU 28 HB2 LEU 28 1.633 14.691 -8.909 63 HB3 LEU 28 HB3 LEU 28 2.286 15.920 -9.991 64 HG LEU 28 HG LEU 28 4.528 14.526 -9.489 65 HD11 LEU 28 HD11 LEU 28 2.788 12.205 -9.834 66 HD12 LEU 28 HD12 LEU 28 2.682 12.948 -8.239 67 HD13 LEU 28 HD13 LEU 28 4.242 12.402 -8.855 68 HD21 LEU 28 HD21 LEU 28 4.144 14.811 -11.704 69 HD22 LEU 28 HD22 LEU 28 2.432 14.406 -11.574 70 HD23 LEU 28 HD23 LEU 28 3.644 13.124 -11.585 71 H GLU 29 H GLU 29 2.424 17.219 -5.818 72 HA GLU 29 HA GLU 29 1.109 18.945 -5.137 73 HB2 GLU 29 HB2 GLU 29 2.622 19.901 -7.226 74 HB3 GLU 29 HB3 GLU 29 0.988 20.319 -7.722 75 HG2 GLU 29 HG2 GLU 29 1.545 22.185 -6.549 76 HG3 GLU 29 HG3 GLU 29 0.812 21.222 -5.268 77 H GLN 30 H GLN 30 -0.195 16.629 -6.141 78 HA GLN 30 HA GLN 30 -2.374 17.410 -7.830 79 HB2 GLN 30 HB2 GLN 30 -3.238 15.179 -7.433 80 HB3 GLN 30 HB3 GLN 30 -1.513 15.096 -7.763 81 HG2 GLN 30 HG2 GLN 30 -1.475 15.265 -5.077 82 HG3 GLN 30 HG3 GLN 30 -3.009 14.433 -5.322 83 HE21 GLN 30 HE21 GLN 30 -2.290 12.509 -4.462 84 HE22 GLN 30 HE22 GLN 30 -1.145 11.495 -5.264 85 H SER 31 H SER 31 -4.395 18.042 -7.290 86 HA SER 31 HA SER 31 -4.838 18.834 -4.533 87 HB2 SER 31 HB2 SER 31 -5.354 20.310 -6.538 88 HB3 SER 31 HB3 SER 31 -6.715 19.238 -6.865 89 HG SER 31 HG SER 31 -6.278 20.712 -4.477 90 H VAL 32 H VAL 32 -7.247 18.590 -3.800 91 HA VAL 32 HA VAL 32 -7.710 15.918 -3.209 92 HB VAL 32 HB VAL 32 -9.707 18.185 -3.254 93 HG11 VAL 32 HG11 VAL 32 -9.851 15.439 -2.024 94 HG12 VAL 32 HG12 VAL 32 -10.929 16.767 -1.588 95 HG13 VAL 32 HG13 VAL 32 -10.927 16.136 -3.235 96 HG21 VAL 32 HG21 VAL 32 -7.522 18.188 -1.783 97 HG22 VAL 32 HG22 VAL 32 -9.066 18.724 -1.121 98 HG23 VAL 32 HG23 VAL 32 -8.473 17.100 -0.771 99 H GLY 33 H GLY 33 -9.390 17.958 -5.605 100 HA2 GLY 33 HA2 GLY 33 -11.147 16.052 -6.600 101 HA3 GLY 33 HA3 GLY 33 -10.514 17.403 -7.528 102 H GLU 34 H GLU 34 -8.139 17.026 -8.251 103 HA GLU 34 HA GLU 34 -8.086 14.998 -10.118 104 HB2 GLU 34 HB2 GLU 34 -6.573 16.838 -10.327 105 HB3 GLU 34 HB3 GLU 34 -5.816 16.470 -8.784 106 HG2 GLU 34 HG2 GLU 34 -4.371 15.804 -10.588 107 HG3 GLU 34 HG3 GLU 34 -4.946 14.378 -9.724 108 H TRP 35 H TRP 35 -6.602 15.018 -6.890 109 HA TRP 35 HA TRP 35 -5.335 12.568 -6.943 110 HB2 TRP 35 HB2 TRP 35 -5.010 14.027 -5.072 111 HB3 TRP 35 HB3 TRP 35 -6.724 13.986 -4.666 112 HD1 TRP 35 HD1 TRP 35 -4.597 10.852 -5.391 113 HE1 TRP 35 HE1 TRP 35 -4.571 9.391 -3.272 114 HE3 TRP 35 HE3 TRP 35 -7.059 14.000 -2.202 115 HZ2 TRP 35 HZ2 TRP 35 -5.475 9.551 -0.603 116 HZ3 TRP 35 HZ3 TRP 35 -7.438 13.270 0.117 117 HH2 TRP 35 HH2 TRP 35 -6.662 11.091 0.898 118 H LEU 36 H LEU 36 -8.644 13.202 -5.767 119 HA LEU 36 HA LEU 36 -9.300 10.481 -5.397 120 HB2 LEU 36 HB2 LEU 36 -11.117 12.841 -5.866 121 HB3 LEU 36 HB3 LEU 36 -11.620 11.265 -5.258 122 HG LEU 36 HG LEU 36 -9.563 12.823 -3.754 123 HD11 LEU 36 HD11 LEU 36 -11.349 14.430 -4.199 124 HD12 LEU 36 HD12 LEU 36 -11.318 13.957 -2.500 125 HD13 LEU 36 HD13 LEU 36 -12.538 13.284 -3.580 126 HD21 LEU 36 HD21 LEU 36 -9.837 11.135 -2.344 127 HD22 LEU 36 HD22 LEU 36 -11.063 10.430 -3.399 128 HD23 LEU 36 HD23 LEU 36 -11.533 11.580 -2.146 129 H GLU 37 H GLU 37 -9.404 12.594 -8.162 130 HA GLU 37 HA GLU 37 -11.168 11.061 -9.761 131 HB2 GLU 37 HB2 GLU 37 -9.585 13.435 -10.047 132 HB3 GLU 37 HB3 GLU 37 -9.323 12.397 -11.442 133 HG2 GLU 37 HG2 GLU 37 -12.117 12.506 -10.817 134 HG3 GLU 37 HG3 GLU 37 -11.463 14.136 -10.970 135 H SER 38 H SER 38 -7.780 10.815 -9.026 136 HA SER 38 HA SER 38 -7.081 9.128 -11.218 137 HB2 SER 38 HB2 SER 38 -5.665 10.514 -9.303 138 HB3 SER 38 HB3 SER 38 -5.444 8.838 -8.803 139 HG SER 38 HG SER 38 -3.875 9.097 -10.256 140 H ILE 39 H ILE 39 -8.616 8.626 -8.185 141 HA ILE 39 HA ILE 39 -8.209 5.721 -8.378 142 HB ILE 39 HB ILE 39 -8.991 5.581 -6.075 143 HG12 ILE 39 HG12 ILE 39 -9.141 8.601 -6.127 144 HG13 ILE 39 HG13 ILE 39 -10.544 7.541 -6.221 145 HG21 ILE 39 HG21 ILE 39 -6.968 7.784 -6.068 146 HG22 ILE 39 HG22 ILE 39 -7.048 6.334 -5.066 147 HG23 ILE 39 HG23 ILE 39 -6.574 6.210 -6.760 148 HD11 ILE 39 HD11 ILE 39 -10.031 6.651 -4.019 149 HD12 ILE 39 HD12 ILE 39 -8.606 7.685 -3.925 150 HD13 ILE 39 HD13 ILE 39 -10.215 8.404 -3.972 151 H GLY 40 H GLY 40 -10.523 8.208 -8.809 152 HA2 GLY 40 HA2 GLY 40 -12.565 7.868 -9.954 153 HA3 GLY 40 HA3 GLY 40 -12.549 6.189 -9.436 154 H LEU 41 H LEU 41 -11.879 8.649 -7.103 155 HA LEU 41 HA LEU 41 -14.562 8.242 -5.953 156 HB2 LEU 41 HB2 LEU 41 -12.316 7.421 -4.804 157 HB3 LEU 41 HB3 LEU 41 -12.281 9.095 -4.251 158 HG LEU 41 HG LEU 41 -14.504 8.760 -3.218 159 HD11 LEU 41 HD11 LEU 41 -14.680 6.572 -4.858 160 HD12 LEU 41 HD12 LEU 41 -15.738 6.920 -3.492 161 HD13 LEU 41 HD13 LEU 41 -14.353 5.849 -3.284 162 HD21 LEU 41 HD21 LEU 41 -13.494 6.802 -1.636 163 HD22 LEU 41 HD22 LEU 41 -13.047 8.505 -1.528 164 HD23 LEU 41 HD23 LEU 41 -12.032 7.382 -2.435 165 H GLN 42 H GLN 42 -13.184 10.383 -7.751 166 HA GLN 42 HA GLN 42 -13.016 12.798 -6.390 167 HB2 GLN 42 HB2 GLN 42 -12.507 12.190 -8.876 168 HB3 GLN 42 HB3 GLN 42 -14.179 12.664 -9.150 169 HG2 GLN 42 HG2 GLN 42 -12.872 14.658 -7.574 170 HG3 GLN 42 HG3 GLN 42 -11.908 14.309 -9.007 171 HE21 GLN 42 HE21 GLN 42 -13.751 13.772 -10.891 172 HE22 GLN 42 HE22 GLN 42 -14.750 15.151 -11.178 173 H GLN 43 H GLN 43 -15.781 10.911 -7.205 174 HA GLN 43 HA GLN 43 -17.749 12.930 -7.207 175 HB2 GLN 43 HB2 GLN 43 -19.346 11.109 -6.824 176 HB3 GLN 43 HB3 GLN 43 -18.182 10.688 -8.074 177 HG2 GLN 43 HG2 GLN 43 -17.056 9.765 -5.701 178 HG3 GLN 43 HG3 GLN 43 -18.769 9.365 -5.586 179 HE21 GLN 43 HE21 GLN 43 -16.451 7.621 -5.908 180 HE22 GLN 43 HE22 GLN 43 -16.732 6.715 -7.352 181 H TYR 44 H TYR 44 -16.204 11.120 -4.632 182 HA TYR 44 HA TYR 44 -17.995 12.190 -2.616 183 HB2 TYR 44 HB2 TYR 44 -16.165 9.983 -2.799 184 HB3 TYR 44 HB3 TYR 44 -15.760 10.961 -1.393 185 HD1 TYR 44 HD2 TYR 44 -18.303 11.872 -0.389 186 HD2 TYR 44 HD1 TYR 44 -17.294 8.100 -2.078 187 HE1 TYR 44 HE2 TYR 44 -20.137 10.824 0.872 188 HE2 TYR 44 HE1 TYR 44 -19.125 7.041 -0.824 189 HH TYR 44 HH TYR 44 -20.466 7.444 1.169 190 H GLU 45 H GLU 45 -15.526 13.461 -4.306 191 HA GLU 45 HA GLU 45 -13.728 14.562 -2.528 192 HB2 GLU 45 HB2 GLU 45 -13.385 14.838 -4.878 193 HB3 GLU 45 HB3 GLU 45 -14.904 15.705 -5.061 194 HG2 GLU 45 HG2 GLU 45 -13.230 17.039 -3.153 195 HG3 GLU 45 HG3 GLU 45 -12.355 16.779 -4.662 196 H SER 46 H SER 46 -16.932 15.770 -3.440 197 HA SER 46 HA SER 46 -16.943 18.207 -2.163 198 HB2 SER 46 HB2 SER 46 -19.495 17.212 -1.680 199 HB3 SER 46 HB3 SER 46 -18.973 18.083 -3.121 200 HG SER 46 HG SER 46 -19.922 16.088 -3.664 201 H LYS 47 H LYS 47 -17.524 15.008 -0.778 202 HA LYS 47 HA LYS 47 -18.224 15.920 1.813 203 HB2 LYS 47 HB2 LYS 47 -17.364 13.293 0.658 204 HB3 LYS 47 HB3 LYS 47 -17.447 13.486 2.405 205 HG2 LYS 47 HG2 LYS 47 -19.500 12.535 1.657 206 HG3 LYS 47 HG3 LYS 47 -19.816 14.199 2.150 207 HD2 LYS 47 HD2 LYS 47 -20.180 14.911 -0.004 208 HD3 LYS 47 HD3 LYS 47 -19.162 13.651 -0.706 209 HE2 LYS 47 HE2 LYS 47 -20.895 12.274 -0.962 210 HE3 LYS 47 HE3 LYS 47 -21.444 12.543 0.692 211 HZ1 LYS 47 HZ1 LYS 47 -22.694 13.397 -1.575 212 HZ2 LYS 47 HZ2 LYS 47 -21.938 14.795 -0.997 213 HZ3 LYS 47 HZ3 LYS 47 -23.007 13.940 -0.004 214 H LEU 48 H LEU 48 -15.173 15.039 0.294 215 HA LEU 48 HA LEU 48 -13.673 15.278 2.743 216 HB2 LEU 48 HB2 LEU 48 -13.188 13.846 0.608 217 HB3 LEU 48 HB3 LEU 48 -12.418 15.324 0.034 218 HG LEU 48 HG LEU 48 -11.616 14.299 2.704 219 HD11 LEU 48 HD11 LEU 48 -10.780 13.031 0.101 220 HD12 LEU 48 HD12 LEU 48 -11.636 12.254 1.431 221 HD13 LEU 48 HD13 LEU 48 -9.970 12.789 1.650 222 HD21 LEU 48 HD21 LEU 48 -10.403 16.163 2.235 223 HD22 LEU 48 HD22 LEU 48 -10.494 15.921 0.490 224 HD23 LEU 48 HD23 LEU 48 -9.365 14.969 1.455 225 H LEU 49 H LEU 49 -15.032 17.479 0.673 226 HA LEU 49 HA LEU 49 -12.927 19.482 1.105 227 HB2 LEU 49 HB2 LEU 49 -13.584 19.255 -1.195 228 HB3 LEU 49 HB3 LEU 49 -15.285 19.432 -0.769 229 HG LEU 49 HG LEU 49 -14.906 21.765 -0.172 230 HD11 LEU 49 HD11 LEU 49 -12.726 22.811 -0.719 231 HD12 LEU 49 HD12 LEU 49 -12.056 21.200 -0.968 232 HD13 LEU 49 HD13 LEU 49 -12.645 21.674 0.625 233 HD21 LEU 49 HD21 LEU 49 -14.155 22.549 -2.497 234 HD22 LEU 49 HD22 LEU 49 -15.587 21.525 -2.390 235 HD23 LEU 49 HD23 LEU 49 -14.043 20.832 -2.888 236 H LEU 50 H LEU 50 -16.389 18.901 1.529 237 HA LEU 50 HA LEU 50 -16.946 21.399 2.761 238 HB2 LEU 50 HB2 LEU 50 -18.404 19.168 1.897 239 HB3 LEU 50 HB3 LEU 50 -18.726 19.310 3.624 240 HG LEU 50 HG LEU 50 -19.255 21.374 1.492 241 HD11 LEU 50 HD11 LEU 50 -21.557 21.056 2.038 242 HD12 LEU 50 HD12 LEU 50 -21.147 19.985 3.377 243 HD13 LEU 50 HD13 LEU 50 -20.851 19.472 1.717 244 HD21 LEU 50 HD21 LEU 50 -19.320 21.568 4.488 245 HD22 LEU 50 HD22 LEU 50 -20.302 22.615 3.461 246 HD23 LEU 50 HD23 LEU 50 -18.543 22.645 3.327 247 H ASN 51 H ASN 51 -15.440 18.545 3.861 248 HA ASN 51 HA ASN 51 -15.999 19.117 6.671 249 HB2 ASN 51 HB2 ASN 51 -14.924 16.790 5.159 250 HB3 ASN 51 HB3 ASN 51 -14.366 17.003 6.816 251 HD21 ASN 51 HD21 ASN 51 -17.267 16.761 4.828 252 HD22 ASN 51 HD22 ASN 51 -18.262 16.055 6.052 253 H GLY 52 H GLY 52 -14.248 20.757 4.809 254 HA2 GLY 52 HA2 GLY 52 -12.236 21.869 4.882 255 HA3 GLY 52 HA3 GLY 52 -12.392 21.683 6.622 256 H PHE 53 H PHE 53 -12.099 18.969 4.433 257 HA PHE 53 HA PHE 53 -9.479 18.379 5.634 258 HB2 PHE 53 HB2 PHE 53 -11.759 16.808 5.497 259 HB3 PHE 53 HB3 PHE 53 -10.751 16.180 4.197 260 HD1 PHE 53 HD1 PHE 53 -8.088 16.249 5.120 261 HD2 PHE 53 HD2 PHE 53 -11.628 15.479 7.354 262 HE1 PHE 53 HE1 PHE 53 -6.771 14.969 6.758 263 HE2 PHE 53 HE2 PHE 53 -10.317 14.198 8.996 264 HZ PHE 53 HZ PHE 53 -7.885 13.943 8.700 265 H ASP 54 H ASP 54 -10.514 19.851 3.031 266 HA ASP 54 HA ASP 54 -9.496 18.477 0.816 267 HB2 ASP 54 HB2 ASP 54 -9.816 20.436 -0.380 268 HB3 ASP 54 HB3 ASP 54 -10.909 20.676 0.980 269 H ASP 55 H ASP 55 -7.889 20.036 3.405 270 HA ASP 55 HA ASP 55 -5.495 20.835 2.211 271 HB2 ASP 55 HB2 ASP 55 -6.252 19.975 4.979 272 HB3 ASP 55 HB3 ASP 55 -4.556 20.240 4.586 273 H VAL 56 H VAL 56 -4.609 19.451 0.751 274 HA VAL 56 HA VAL 56 -4.425 16.673 0.975 275 HB VAL 56 HB VAL 56 -2.573 18.547 -0.507 276 HG11 VAL 56 HG11 VAL 56 -2.282 16.449 -1.954 277 HG12 VAL 56 HG12 VAL 56 -1.431 16.512 -0.409 278 HG13 VAL 56 HG13 VAL 56 -2.913 15.566 -0.564 279 HG21 VAL 56 HG21 VAL 56 -4.248 18.875 -1.925 280 HG22 VAL 56 HG22 VAL 56 -4.353 17.138 -2.212 281 HG23 VAL 56 HG23 VAL 56 -5.303 17.879 -0.923 282 H HIS 57 H HIS 57 -2.621 19.159 2.518 283 HA HIS 57 HA HIS 57 -0.446 17.349 3.239 284 HB2 HIS 57 HB2 HIS 57 -0.879 20.300 3.403 285 HB3 HIS 57 HB3 HIS 57 0.258 19.554 4.522 286 HD1 HIS 57 HD1 HIS 57 0.320 21.245 1.475 287 HD2 HIS 57 HD2 HIS 57 2.083 17.723 2.797 288 HE1 HIS 57 HE1 HIS 57 2.260 20.841 -0.074 289 H PHE 58 H PHE 58 -3.247 17.072 4.226 290 HA PHE 58 HA PHE 58 -2.664 17.232 7.110 291 HB2 PHE 58 HB2 PHE 58 -4.755 18.477 5.743 292 HB3 PHE 58 HB3 PHE 58 -5.497 17.074 6.506 293 HD1 PHE 58 HD2 PHE 58 -3.199 19.897 7.301 294 HD2 PHE 58 HD1 PHE 58 -6.238 17.253 8.675 295 HE1 PHE 58 HE2 PHE 58 -3.283 21.111 9.439 296 HE2 PHE 58 HE1 PHE 58 -6.327 18.463 10.816 297 HZ PHE 58 HZ PHE 58 -4.848 20.394 11.201 298 H LEU 59 H LEU 59 -4.419 15.460 4.589 299 HA LEU 59 HA LEU 59 -5.357 13.315 6.025 300 HB2 LEU 59 HB2 LEU 59 -4.865 12.009 3.840 301 HB3 LEU 59 HB3 LEU 59 -6.035 13.327 3.829 302 HG LEU 59 HG LEU 59 -3.569 14.489 3.166 303 HD11 LEU 59 HD11 LEU 59 -3.296 12.996 0.997 304 HD12 LEU 59 HD12 LEU 59 -3.869 11.739 2.093 305 HD13 LEU 59 HD13 LEU 59 -2.412 12.651 2.484 306 HD21 LEU 59 HD21 LEU 59 -5.414 15.414 2.169 307 HD22 LEU 59 HD22 LEU 59 -6.128 13.847 1.782 308 HD23 LEU 59 HD23 LEU 59 -4.773 14.458 0.832 309 H GLY 60 H GLY 60 -2.079 13.978 4.988 310 HA2 GLY 60 HA2 GLY 60 -1.166 11.347 5.868 311 HA3 GLY 60 HA3 GLY 60 -0.190 12.576 5.078 312 H SER 61 H SER 61 -2.247 13.092 7.888 313 HA SER 61 HA SER 61 -0.008 13.033 9.717 314 HB2 SER 61 HB2 SER 61 -0.271 15.378 8.435 315 HB3 SER 61 HB3 SER 61 -1.434 15.642 9.734 316 HG SER 61 HG SER 61 1.169 14.686 10.261 317 H ASN 62 H ASN 62 -3.388 13.917 9.162 318 HA ASN 62 HA ASN 62 -4.124 13.716 11.919 319 HB2 ASN 62 HB2 ASN 62 -5.352 14.573 9.488 320 HB3 ASN 62 HB3 ASN 62 -6.405 13.384 10.251 321 HD21 ASN 62 HD21 ASN 62 -7.957 14.920 10.740 322 HD22 ASN 62 HD22 ASN 62 -7.734 16.092 11.990 323 H VAL 63 H VAL 63 -6.270 12.238 12.215 324 HA VAL 63 HA VAL 63 -5.400 9.646 12.574 325 HB VAL 63 HB VAL 63 -7.358 10.410 13.728 326 HG11 VAL 63 HG11 VAL 63 -8.138 11.887 11.848 327 HG12 VAL 63 HG12 VAL 63 -8.846 10.448 11.110 328 HG13 VAL 63 HG13 VAL 63 -9.412 11.001 12.687 329 HG21 VAL 63 HG21 VAL 63 -8.248 8.367 13.820 330 HG22 VAL 63 HG22 VAL 63 -8.809 8.449 12.150 331 HG23 VAL 63 HG23 VAL 63 -7.156 7.943 12.502 332 H MET 64 H MET 64 -7.278 10.960 9.860 333 HA MET 64 HA MET 64 -7.875 10.047 7.849 334 HB2 MET 64 HB2 MET 64 -5.124 10.251 8.061 335 HB3 MET 64 HB3 MET 64 -5.360 8.613 7.468 336 HG2 MET 64 HG2 MET 64 -6.330 11.162 6.202 337 HG3 MET 64 HG3 MET 64 -5.070 10.083 5.607 338 HE1 MET 64 HE1 MET 64 -9.092 10.118 4.018 339 HE2 MET 64 HE2 MET 64 -8.659 11.107 5.412 340 HE3 MET 64 HE3 MET 64 -7.679 11.172 3.945 341 H GLU 65 H GLU 65 -8.868 8.488 9.867 342 HA GLU 65 HA GLU 65 -8.338 5.729 8.990 343 HB2 GLU 65 HB2 GLU 65 -8.090 6.455 11.463 344 HB3 GLU 65 HB3 GLU 65 -9.848 6.461 11.482 345 HG2 GLU 65 HG2 GLU 65 -9.998 4.214 11.425 346 HG3 GLU 65 HG3 GLU 65 -8.575 4.035 10.399 347 H GLU 66 H GLU 66 -10.335 4.276 9.216 348 HA GLU 66 HA GLU 66 -12.206 4.888 7.325 349 HB2 GLU 66 HB2 GLU 66 -13.690 3.198 8.508 350 HB3 GLU 66 HB3 GLU 66 -12.082 2.646 8.061 351 HG2 GLU 66 HG2 GLU 66 -11.328 3.059 10.369 352 HG3 GLU 66 HG3 GLU 66 -12.973 3.522 10.799 353 H GLN 67 H GLN 67 -12.467 5.463 10.815 354 HA GLN 67 HA GLN 67 -15.071 6.427 10.897 355 HB2 GLN 67 HB2 GLN 67 -13.442 5.927 12.828 356 HB3 GLN 67 HB3 GLN 67 -12.868 7.572 12.595 357 HG2 GLN 67 HG2 GLN 67 -14.502 8.306 13.883 358 HG3 GLN 67 HG3 GLN 67 -15.677 7.699 12.716 359 HE21 GLN 67 HE21 GLN 67 -15.741 5.123 12.904 360 HE22 GLN 67 HE22 GLN 67 -16.064 4.568 14.508 361 H ASP 68 H ASP 68 -12.050 8.139 10.222 362 HA ASP 68 HA ASP 68 -13.117 10.736 10.112 363 HB2 ASP 68 HB2 ASP 68 -10.613 9.708 9.949 364 HB3 ASP 68 HB3 ASP 68 -10.895 10.121 8.260 365 H LEU 69 H LEU 69 -12.744 8.246 7.629 366 HA LEU 69 HA LEU 69 -13.717 9.905 5.509 367 HB2 LEU 69 HB2 LEU 69 -13.805 6.931 5.370 368 HB3 LEU 69 HB3 LEU 69 -13.388 8.101 4.121 369 HG LEU 69 HG LEU 69 -11.654 7.157 6.397 370 HD11 LEU 69 HD11 LEU 69 -11.904 6.525 3.545 371 HD12 LEU 69 HD12 LEU 69 -11.212 5.581 4.865 372 HD13 LEU 69 HD13 LEU 69 -10.257 6.846 4.091 373 HD21 LEU 69 HD21 LEU 69 -11.435 9.524 4.604 374 HD22 LEU 69 HD22 LEU 69 -9.967 8.645 5.035 375 HD23 LEU 69 HD23 LEU 69 -10.981 9.343 6.299 376 H ARG 70 H ARG 70 -15.152 7.867 7.905 377 HA ARG 70 HA ARG 70 -17.658 7.526 6.542 378 HB2 ARG 70 HB2 ARG 70 -16.758 5.932 8.256 379 HB3 ARG 70 HB3 ARG 70 -17.062 7.158 9.481 380 HG2 ARG 70 HG2 ARG 70 -19.236 6.680 9.577 381 HG3 ARG 70 HG3 ARG 70 -19.388 6.601 7.820 382 HD2 ARG 70 HD2 ARG 70 -17.979 4.351 8.280 383 HD3 ARG 70 HD3 ARG 70 -18.889 4.458 9.786 384 HE ARG 70 HE ARG 70 -20.615 4.840 7.586 385 HH11 ARG 70 HH11 ARG 70 -18.798 2.363 9.225 386 HH12 ARG 70 HH12 ARG 70 -19.869 1.084 8.754 387 HH21 ARG 70 HH21 ARG 70 -22.031 3.165 6.961 388 HH22 ARG 70 HH22 ARG 70 -21.707 1.542 7.466 389 H ASP 71 H ASP 71 -16.379 9.672 9.033 390 HA ASP 71 HA ASP 71 -18.819 10.926 9.700 391 HB2 ASP 71 HB2 ASP 71 -16.586 10.997 10.964 392 HB3 ASP 71 HB3 ASP 71 -16.127 12.272 9.838 393 H ILE 72 H ILE 72 -16.451 11.502 7.181 394 HA ILE 72 HA ILE 72 -17.576 14.015 6.365 395 HB ILE 72 HB ILE 72 -16.082 13.835 4.424 396 HG12 ILE 72 HG12 ILE 72 -15.246 11.174 5.591 397 HG13 ILE 72 HG13 ILE 72 -16.287 11.352 4.183 398 HG21 ILE 72 HG21 ILE 72 -15.386 14.228 7.036 399 HG22 ILE 72 HG22 ILE 72 -14.226 13.004 6.524 400 HG23 ILE 72 HG23 ILE 72 -14.341 14.531 5.648 401 HD11 ILE 72 HD11 ILE 72 -13.495 12.454 4.347 402 HD12 ILE 72 HD12 ILE 72 -13.900 10.876 3.671 403 HD13 ILE 72 HD13 ILE 72 -14.530 12.343 2.923 404 H GLY 73 H GLY 73 -18.096 10.666 5.601 405 HA2 GLY 73 HA2 GLY 73 -20.522 10.599 4.621 406 HA3 GLY 73 HA3 GLY 73 -19.715 11.362 3.258 407 H ILE 74 H ILE 74 -17.284 9.926 3.368 408 HA ILE 74 HA ILE 74 -17.932 7.675 1.830 409 HB ILE 74 HB ILE 74 -15.343 8.167 3.304 410 HG12 ILE 74 HG12 ILE 74 -16.109 8.979 0.493 411 HG13 ILE 74 HG13 ILE 74 -16.072 10.076 1.868 412 HG21 ILE 74 HG21 ILE 74 -16.251 6.144 1.401 413 HG22 ILE 74 HG22 ILE 74 -14.738 6.926 0.947 414 HG23 ILE 74 HG23 ILE 74 -14.881 6.125 2.511 415 HD11 ILE 74 HD11 ILE 74 -13.995 9.494 0.122 416 HD12 ILE 74 HD12 ILE 74 -13.893 10.388 1.639 417 HD13 ILE 74 HD13 ILE 74 -13.582 8.653 1.616 418 H SER 75 H SER 75 -19.279 6.227 2.816 419 HA SER 75 HA SER 75 -18.267 4.926 5.260 420 HB2 SER 75 HB2 SER 75 -20.700 4.163 5.505 421 HB3 SER 75 HB3 SER 75 -20.372 5.872 5.790 422 HG SER 75 HG SER 75 -21.040 5.078 3.197 423 H ASP 76 H ASP 76 -18.159 4.501 2.101 424 HA ASP 76 HA ASP 76 -19.057 1.744 1.955 425 HB2 ASP 76 HB2 ASP 76 -18.299 3.835 0.049 426 HB3 ASP 76 HB3 ASP 76 -17.675 2.244 -0.378 427 HA PRO 77 HA PRO 77 -15.216 -0.148 2.931 428 HB2 PRO 77 HB2 PRO 77 -15.396 -2.414 1.447 429 HB3 PRO 77 HB3 PRO 77 -16.348 -2.147 2.912 430 HG2 PRO 77 HG2 PRO 77 -17.148 -1.817 0.046 431 HG3 PRO 77 HG3 PRO 77 -18.056 -2.543 1.385 432 HD2 PRO 77 HD2 PRO 77 -18.519 -0.024 0.508 433 HD3 PRO 77 HD3 PRO 77 -18.727 -0.497 2.207 434 H GLN 78 H GLN 78 -16.020 -0.306 -0.543 435 HA GLN 78 HA GLN 78 -13.310 -0.521 -1.379 436 HB2 GLN 78 HB2 GLN 78 -15.776 0.298 -2.925 437 HB3 GLN 78 HB3 GLN 78 -14.215 -0.078 -3.643 438 HG2 GLN 78 HG2 GLN 78 -15.709 -2.046 -1.944 439 HG3 GLN 78 HG3 GLN 78 -15.980 -1.897 -3.679 440 HE21 GLN 78 HE21 GLN 78 -15.286 -4.167 -3.618 441 HE22 GLN 78 HE22 GLN 78 -13.596 -4.511 -3.705 442 H HIS 79 H HIS 79 -15.105 2.064 -0.204 443 HA HIS 79 HA HIS 79 -13.510 4.059 -1.645 444 HB2 HIS 79 HB2 HIS 79 -15.950 4.351 0.118 445 HB3 HIS 79 HB3 HIS 79 -15.080 5.704 -0.600 446 HD1 HIS 79 HD1 HIS 79 -17.714 5.911 -1.553 447 HD2 HIS 79 HD2 HIS 79 -15.199 3.065 -3.238 448 HE1 HIS 79 HE1 HIS 79 -18.737 5.343 -3.779 449 H ARG 80 H ARG 80 -14.177 2.808 1.569 450 HA ARG 80 HA ARG 80 -12.585 4.763 2.930 451 HB2 ARG 80 HB2 ARG 80 -14.223 2.452 3.647 452 HB3 ARG 80 HB3 ARG 80 -12.773 2.593 4.632 453 HG2 ARG 80 HG2 ARG 80 -13.413 4.941 5.132 454 HG3 ARG 80 HG3 ARG 80 -14.924 4.664 4.265 455 HD2 ARG 80 HD2 ARG 80 -14.038 2.934 6.558 456 HD3 ARG 80 HD3 ARG 80 -14.978 4.407 6.796 457 HE ARG 80 HE ARG 80 -16.827 3.362 5.850 458 HH11 ARG 80 HH11 ARG 80 -14.011 1.322 5.687 459 HH12 ARG 80 HH12 ARG 80 -14.908 -0.106 5.288 460 HH21 ARG 80 HH21 ARG 80 -18.019 1.490 5.324 461 HH22 ARG 80 HH22 ARG 80 -17.187 -0.009 5.081 462 H ARG 81 H ARG 81 -12.079 1.490 1.727 463 HA ARG 81 HA ARG 81 -9.498 1.170 2.901 464 HB2 ARG 81 HB2 ARG 81 -11.208 -0.600 1.939 465 HB3 ARG 81 HB3 ARG 81 -10.309 -0.334 0.451 466 HG2 ARG 81 HG2 ARG 81 -9.055 -2.021 1.251 467 HG3 ARG 81 HG3 ARG 81 -8.265 -0.718 2.142 468 HD2 ARG 81 HD2 ARG 81 -9.353 -1.244 4.124 469 HD3 ARG 81 HD3 ARG 81 -10.642 -2.119 3.298 470 HE ARG 81 HE ARG 81 -8.183 -3.193 4.229 471 HH11 ARG 81 HH11 ARG 81 -10.530 -3.452 1.671 472 HH12 ARG 81 HH12 ARG 81 -10.173 -5.114 1.335 473 HH21 ARG 81 HH21 ARG 81 -7.704 -5.382 3.797 474 HH22 ARG 81 HH22 ARG 81 -8.568 -6.211 2.546 475 H LYS 82 H LYS 82 -10.686 2.263 -0.231 476 HA LYS 82 HA LYS 82 -8.174 2.372 -1.527 477 HB2 LYS 82 HB2 LYS 82 -10.641 2.540 -2.454 478 HB3 LYS 82 HB3 LYS 82 -10.373 4.266 -2.246 479 HG2 LYS 82 HG2 LYS 82 -8.957 4.389 -3.985 480 HG3 LYS 82 HG3 LYS 82 -8.226 2.819 -3.640 481 HD2 LYS 82 HD2 LYS 82 -11.032 2.882 -4.630 482 HD3 LYS 82 HD3 LYS 82 -9.733 3.209 -5.779 483 HE2 LYS 82 HE2 LYS 82 -8.945 1.082 -5.699 484 HE3 LYS 82 HE3 LYS 82 -9.379 0.870 -4.003 485 HZ1 LYS 82 HZ1 LYS 82 -11.651 1.144 -5.742 486 HZ2 LYS 82 HZ2 LYS 82 -11.336 -0.013 -4.550 487 HZ3 LYS 82 HZ3 LYS 82 -10.699 -0.207 -6.105 488 H LEU 83 H LEU 83 -10.126 4.890 0.063 489 HA LEU 83 HA LEU 83 -8.329 7.004 -0.330 490 HB2 LEU 83 HB2 LEU 83 -10.815 6.702 0.796 491 HB3 LEU 83 HB3 LEU 83 -9.810 7.117 2.182 492 HG LEU 83 HG LEU 83 -9.040 9.129 0.845 493 HD11 LEU 83 HD11 LEU 83 -10.563 7.854 -1.159 494 HD12 LEU 83 HD12 LEU 83 -9.710 9.395 -1.248 495 HD13 LEU 83 HD13 LEU 83 -11.397 9.349 -0.738 496 HD21 LEU 83 HD21 LEU 83 -11.567 10.088 1.114 497 HD22 LEU 83 HD22 LEU 83 -10.418 9.902 2.440 498 HD23 LEU 83 HD23 LEU 83 -11.630 8.655 2.140 499 H LEU 84 H LEU 84 -8.468 4.489 2.098 500 HA LEU 84 HA LEU 84 -6.576 5.676 3.873 501 HB2 LEU 84 HB2 LEU 84 -8.130 3.239 3.716 502 HB3 LEU 84 HB3 LEU 84 -6.490 2.927 4.280 503 HG LEU 84 HG LEU 84 -6.783 4.312 6.179 504 HD11 LEU 84 HD11 LEU 84 -8.875 5.521 4.554 505 HD12 LEU 84 HD12 LEU 84 -7.915 6.207 5.864 506 HD13 LEU 84 HD13 LEU 84 -9.356 5.259 6.230 507 HD21 LEU 84 HD21 LEU 84 -9.339 2.765 5.759 508 HD22 LEU 84 HD22 LEU 84 -8.670 3.277 7.309 509 HD23 LEU 84 HD23 LEU 84 -7.812 2.090 6.327 510 H GLN 85 H GLN 85 -6.369 3.654 1.049 511 HA GLN 85 HA GLN 85 -3.623 2.905 1.481 512 HB2 GLN 85 HB2 GLN 85 -5.478 1.671 0.112 513 HB3 GLN 85 HB3 GLN 85 -4.982 2.752 -1.185 514 HG2 GLN 85 HG2 GLN 85 -3.607 1.023 -1.647 515 HG3 GLN 85 HG3 GLN 85 -2.583 1.861 -0.482 516 HE21 GLN 85 HE21 GLN 85 -3.170 -1.056 -1.338 517 HE22 GLN 85 HE22 GLN 85 -3.272 -1.885 0.174 518 H ALA 86 H ALA 86 -5.359 5.243 -0.527 519 HA ALA 86 HA ALA 86 -2.982 6.221 -1.800 520 HB1 ALA 86 HB1 ALA 86 -5.404 7.914 -1.750 521 HB2 ALA 86 HB2 ALA 86 -4.365 7.456 -3.099 522 HB3 ALA 86 HB3 ALA 86 -5.567 6.320 -2.487 523 H ALA 87 H ALA 87 -4.525 6.785 1.192 524 HA ALA 87 HA ALA 87 -3.479 9.459 1.553 525 HB1 ALA 87 HB1 ALA 87 -5.542 9.117 2.611 526 HB2 ALA 87 HB2 ALA 87 -5.028 7.582 3.311 527 HB3 ALA 87 HB3 ALA 87 -4.359 9.096 3.918 528 H ARG 88 H ARG 88 -2.882 6.237 2.940 529 HA ARG 88 HA ARG 88 -0.676 7.115 4.529 530 HB2 ARG 88 HB2 ARG 88 -2.102 4.613 4.027 531 HB3 ARG 88 HB3 ARG 88 -0.371 4.386 4.243 532 HG2 ARG 88 HG2 ARG 88 -0.701 4.447 6.429 533 HG3 ARG 88 HG3 ARG 88 -1.153 6.145 6.269 534 HD2 ARG 88 HD2 ARG 88 -3.372 5.711 6.439 535 HD3 ARG 88 HD3 ARG 88 -3.240 4.157 5.618 536 HE ARG 88 HE ARG 88 -3.024 3.150 7.656 537 HH11 ARG 88 HH11 ARG 88 -2.369 6.550 8.007 538 HH12 ARG 88 HH12 ARG 88 -2.268 6.486 9.736 539 HH21 ARG 88 HH21 ARG 88 -2.894 3.051 9.931 540 HH22 ARG 88 HH22 ARG 88 -2.566 4.495 10.829 541 H SER 89 H SER 89 -1.060 6.271 1.245 542 HA SER 89 HA SER 89 1.575 5.305 0.744 543 HB2 SER 89 HB2 SER 89 -0.248 4.766 -0.780 544 HB3 SER 89 HB3 SER 89 -0.488 6.476 -1.138 545 HG SER 89 HG SER 89 1.077 6.367 -2.528 546 H LEU 90 H LEU 90 0.402 8.345 1.503 547 HA LEU 90 HA LEU 90 2.126 9.938 -0.128 548 HB2 LEU 90 HB2 LEU 90 0.228 10.386 2.085 549 HB3 LEU 90 HB3 LEU 90 1.525 11.570 1.931 550 HG LEU 90 HG LEU 90 0.649 11.499 -0.617 551 HD11 LEU 90 HD11 LEU 90 -1.461 10.318 1.013 552 HD12 LEU 90 HD12 LEU 90 -1.254 10.339 -0.738 553 HD13 LEU 90 HD13 LEU 90 -1.992 11.717 0.079 554 HD21 LEU 90 HD21 LEU 90 -0.850 13.190 1.333 555 HD22 LEU 90 HD22 LEU 90 -0.152 13.623 -0.227 556 HD23 LEU 90 HD23 LEU 90 0.895 13.384 1.172 557 HA PRO 91 HA PRO 91 5.879 9.916 2.142 558 HB2 PRO 91 HB2 PRO 91 6.660 12.513 2.013 559 HB3 PRO 91 HB3 PRO 91 6.702 11.427 0.619 560 HG2 PRO 91 HG2 PRO 91 4.656 13.484 1.357 561 HG3 PRO 91 HG3 PRO 91 5.359 13.127 -0.230 562 HD2 PRO 91 HD2 PRO 91 2.915 12.232 0.514 563 HD3 PRO 91 HD3 PRO 91 3.975 11.316 -0.576 564 H LYS 92 H LYS 92 7.114 11.452 3.835 565 HA LYS 92 HA LYS 92 5.237 11.764 6.067 566 HB2 LYS 92 HB2 LYS 92 7.223 11.628 7.508 567 HB3 LYS 92 HB3 LYS 92 7.092 10.228 6.453 568 HG2 LYS 92 HG2 LYS 92 8.660 12.240 5.163 569 HG3 LYS 92 HG3 LYS 92 9.287 11.947 6.788 570 HD2 LYS 92 HD2 LYS 92 8.948 9.421 6.063 571 HD3 LYS 92 HD3 LYS 92 9.121 10.117 4.449 572 HE2 LYS 92 HE2 LYS 92 11.324 10.014 4.745 573 HE3 LYS 92 HE3 LYS 92 11.148 11.293 5.946 574 HZ1 LYS 92 HZ1 LYS 92 10.917 9.638 7.662 575 HZ2 LYS 92 HZ2 LYS 92 12.348 9.359 6.806 576 HZ3 LYS 92 HZ3 LYS 92 10.993 8.386 6.528 577 H VAL 93 H VAL 93 4.993 13.656 7.158 578 HA VAL 93 HA VAL 93 6.422 15.992 6.068 579 HB VAL 93 HB VAL 93 4.008 16.042 5.622 580 HG11 VAL 93 HG11 VAL 93 3.105 16.581 8.307 581 HG12 VAL 93 HG12 VAL 93 2.476 15.439 7.118 582 HG13 VAL 93 HG13 VAL 93 3.798 14.964 8.185 583 HG21 VAL 93 HG21 VAL 93 4.579 18.097 7.734 584 HG22 VAL 93 HG22 VAL 93 5.412 18.110 6.180 585 HG23 VAL 93 HG23 VAL 93 3.657 18.273 6.240 586 H LYS 94 H LYS 94 7.263 17.519 7.461 587 HA LYS 94 HA LYS 94 7.871 16.571 10.121 588 HB2 LYS 94 HB2 LYS 94 8.674 19.097 8.667 589 HB3 LYS 94 HB3 LYS 94 9.274 18.621 10.250 590 HG2 LYS 94 HG2 LYS 94 9.662 17.085 7.688 591 HG3 LYS 94 HG3 LYS 94 10.871 18.094 8.488 592 HD2 LYS 94 HD2 LYS 94 10.183 16.475 10.528 593 HD3 LYS 94 HD3 LYS 94 9.901 15.389 9.166 594 HE2 LYS 94 HE2 LYS 94 12.170 15.761 8.377 595 HE3 LYS 94 HE3 LYS 94 12.456 16.908 9.686 596 HZ1 LYS 94 HZ1 LYS 94 12.419 15.220 11.269 597 HZ2 LYS 94 HZ2 LYS 94 13.291 14.541 9.989 598 HZ3 LYS 94 HZ3 LYS 94 11.673 14.111 10.232 599 H ALA 95 H ALA 95 5.383 16.735 10.475 600 HA ALA 95 HA ALA 95 4.417 19.383 11.101 601 HB1 ALA 95 HB1 ALA 95 2.657 17.526 12.207 602 HB2 ALA 95 HB2 ALA 95 2.502 18.349 10.654 603 HB3 ALA 95 HB3 ALA 95 3.269 16.763 10.739 604 H LEU 96 H LEU 96 5.209 20.361 12.853 605 HA LEU 96 HA LEU 96 5.417 18.794 15.340 606 HB2 LEU 96 HB2 LEU 96 7.068 20.782 15.897 607 HB3 LEU 96 HB3 LEU 96 7.602 19.326 15.060 608 HG LEU 96 HG LEU 96 7.343 20.560 12.903 609 HD11 LEU 96 HD11 LEU 96 5.739 22.246 13.804 610 HD12 LEU 96 HD12 LEU 96 7.083 22.931 12.892 611 HD13 LEU 96 HD13 LEU 96 7.090 22.997 14.654 612 HD21 LEU 96 HD21 LEU 96 9.215 22.216 14.466 613 HD22 LEU 96 HD22 LEU 96 9.486 21.259 13.010 614 HD23 LEU 96 HD23 LEU 96 9.437 20.471 14.588 615 H GLY 97 H GLY 97 3.206 20.463 14.129 616 HA2 GLY 97 HA2 GLY 97 2.947 22.448 16.299 617 HA3 GLY 97 HA3 GLY 97 2.156 22.577 14.735 618 H TYR 98 H TYR 98 1.103 20.046 14.440 619 HA TYR 98 HA TYR 98 -1.088 20.178 16.337 620 HB2 TYR 98 HB2 TYR 98 -1.140 19.771 13.712 621 HB3 TYR 98 HB3 TYR 98 -0.967 18.092 14.209 622 HD1 TYR 98 HD2 TYR 98 -2.937 21.003 15.495 623 HD2 TYR 98 HD1 TYR 98 -2.979 16.976 14.122 624 HE1 TYR 98 HE2 TYR 98 -5.357 20.888 15.924 625 HE2 TYR 98 HE1 TYR 98 -5.399 16.850 14.545 626 HH TYR 98 HH TYR 98 -7.078 17.989 15.980 627 H ASP 99 H ASP 99 1.622 18.124 15.571 628 HA ASP 99 HA ASP 99 0.849 15.776 16.875 629 HB2 ASP 99 HB2 ASP 99 3.260 16.864 15.742 630 HB3 ASP 99 HB3 ASP 99 3.628 16.078 17.275 631 H GLY 100 H GLY 100 2.688 18.561 18.123 632 HA2 GLY 100 HA2 GLY 100 3.021 17.583 20.737 633 HA3 GLY 100 HA3 GLY 100 3.082 19.275 20.267 634 H ASN 101 H ASN 101 1.180 20.531 20.354 635 HA ASN 101 HA ASN 101 -0.985 19.322 21.947 636 HB2 ASN 101 HB2 ASN 101 0.173 22.110 22.114 637 HB3 ASN 101 HB3 ASN 101 -1.307 21.613 22.927 638 HD21 ASN 101 HD21 ASN 101 -0.726 19.169 23.878 639 HD22 ASN 101 HD22 ASN 101 0.573 19.251 25.014 Start of MODEL 11 1 H MET 21 H MET 21 12.302 -3.197 1.022 2 HA MET 21 HA MET 21 10.149 -1.694 0.453 3 HB2 MET 21 HB2 MET 21 12.634 -1.186 0.045 4 HB3 MET 21 HB3 MET 21 12.386 -1.873 -1.554 5 HG2 MET 21 HG2 MET 21 10.867 -0.184 -2.159 6 HG3 MET 21 HG3 MET 21 10.696 0.365 -0.493 7 HE1 MET 21 HE1 MET 21 13.912 1.511 -3.510 8 HE2 MET 21 HE2 MET 21 13.540 -0.193 -3.248 9 HE3 MET 21 HE3 MET 21 12.283 0.908 -3.815 10 H ILE 22 H ILE 22 8.322 -2.073 -0.598 11 HA ILE 22 HA ILE 22 8.412 -3.766 -3.010 12 HB ILE 22 HB ILE 22 7.161 -4.810 -1.165 13 HG12 ILE 22 HG12 ILE 22 5.044 -4.001 -3.105 14 HG13 ILE 22 HG13 ILE 22 6.486 -4.789 -3.738 15 HG21 ILE 22 HG21 ILE 22 4.920 -2.915 -1.342 16 HG22 ILE 22 HG22 ILE 22 5.564 -3.788 0.047 17 HG23 ILE 22 HG23 ILE 22 6.357 -2.316 -0.511 18 HD11 ILE 22 HD11 ILE 22 5.027 -6.545 -3.395 19 HD12 ILE 22 HD12 ILE 22 6.017 -6.571 -1.935 20 HD13 ILE 22 HD13 ILE 22 4.401 -5.867 -1.892 21 H SER 23 H SER 23 7.339 -0.784 -1.590 22 HA SER 23 HA SER 23 6.079 -0.021 -4.141 23 HB2 SER 23 HB2 SER 23 4.497 0.107 -2.318 24 HB3 SER 23 HB3 SER 23 5.628 1.048 -1.346 25 HG SER 23 HG SER 23 3.847 1.918 -3.130 26 H GLY 24 H GLY 24 6.381 2.212 -4.840 27 HA2 GLY 24 HA2 GLY 24 8.783 3.517 -3.767 28 HA3 GLY 24 HA3 GLY 24 8.745 3.098 -5.473 29 H LEU 25 H LEU 25 8.173 4.690 -6.781 30 HA LEU 25 HA LEU 25 6.929 7.071 -5.701 31 HB2 LEU 25 HB2 LEU 25 8.532 6.378 -8.008 32 HB3 LEU 25 HB3 LEU 25 7.138 7.356 -8.462 33 HG LEU 25 HG LEU 25 7.929 8.949 -6.588 34 HD11 LEU 25 HD11 LEU 25 10.324 8.903 -6.161 35 HD12 LEU 25 HD12 LEU 25 10.477 7.421 -7.103 36 HD13 LEU 25 HD13 LEU 25 9.558 7.417 -5.599 37 HD21 LEU 25 HD21 LEU 25 7.986 9.518 -8.943 38 HD22 LEU 25 HD22 LEU 25 9.487 8.615 -9.150 39 HD23 LEU 25 HD23 LEU 25 9.463 10.070 -8.152 40 H ARG 26 H ARG 26 4.875 7.722 -6.003 41 HA ARG 26 HA ARG 26 3.161 6.058 -7.729 42 HB2 ARG 26 HB2 ARG 26 2.472 7.350 -5.084 43 HB3 ARG 26 HB3 ARG 26 1.315 6.543 -6.133 44 HG2 ARG 26 HG2 ARG 26 3.722 5.216 -4.906 45 HG3 ARG 26 HG3 ARG 26 2.087 5.147 -4.248 46 HD2 ARG 26 HD2 ARG 26 2.993 4.121 -6.935 47 HD3 ARG 26 HD3 ARG 26 2.550 3.148 -5.533 48 HE ARG 26 HE ARG 26 0.357 4.719 -6.083 49 HH11 ARG 26 HH11 ARG 26 2.235 2.316 -7.759 50 HH12 ARG 26 HH12 ARG 26 0.904 1.753 -8.714 51 HH21 ARG 26 HH21 ARG 26 -1.405 3.987 -7.334 52 HH22 ARG 26 HH22 ARG 26 -1.166 2.705 -8.473 53 H THR 27 H THR 27 2.690 9.107 -5.956 54 HA THR 27 HA THR 27 2.595 10.670 -8.364 55 HB THR 27 HB THR 27 0.109 11.361 -7.433 56 HG1 THR 27 HG1 THR 27 -0.020 9.506 -6.117 57 HG21 THR 27 HG21 THR 27 0.318 9.234 -9.516 58 HG22 THR 27 HG22 THR 27 1.103 10.788 -9.797 59 HG23 THR 27 HG23 THR 27 -0.636 10.716 -9.515 60 H LEU 28 H LEU 28 2.146 12.959 -7.923 61 HA LEU 28 HA LEU 28 2.051 13.860 -5.197 62 HB2 LEU 28 HB2 LEU 28 4.598 13.621 -6.629 63 HB3 LEU 28 HB3 LEU 28 4.308 15.210 -5.924 64 HG LEU 28 HG LEU 28 3.813 12.975 -4.092 65 HD11 LEU 28 HD11 LEU 28 5.678 12.003 -5.289 66 HD12 LEU 28 HD12 LEU 28 6.202 12.546 -3.695 67 HD13 LEU 28 HD13 LEU 28 6.596 13.501 -5.125 68 HD21 LEU 28 HD21 LEU 28 4.925 15.710 -4.086 69 HD22 LEU 28 HD22 LEU 28 5.583 14.596 -2.887 70 HD23 LEU 28 HD23 LEU 28 3.849 14.916 -2.936 71 H GLU 29 H GLU 29 2.113 16.256 -5.060 72 HA GLU 29 HA GLU 29 1.330 18.294 -5.699 73 HB2 GLU 29 HB2 GLU 29 3.257 17.613 -7.542 74 HB3 GLU 29 HB3 GLU 29 1.878 18.000 -8.562 75 HG2 GLU 29 HG2 GLU 29 2.196 19.974 -6.494 76 HG3 GLU 29 HG3 GLU 29 3.690 19.775 -7.410 77 H GLN 30 H GLN 30 -0.494 16.114 -5.678 78 HA GLN 30 HA GLN 30 -2.335 16.880 -7.847 79 HB2 GLN 30 HB2 GLN 30 -3.403 14.686 -7.543 80 HB3 GLN 30 HB3 GLN 30 -1.704 14.532 -7.972 81 HG2 GLN 30 HG2 GLN 30 -1.200 14.208 -5.552 82 HG3 GLN 30 HG3 GLN 30 -2.937 14.170 -5.253 83 HE21 GLN 30 HE21 GLN 30 -1.606 12.038 -4.461 84 HE22 GLN 30 HE22 GLN 30 -1.855 10.694 -5.517 85 H SER 31 H SER 31 -4.077 17.985 -7.271 86 HA SER 31 HA SER 31 -4.636 18.615 -4.565 87 HB2 SER 31 HB2 SER 31 -5.584 19.427 -7.178 88 HB3 SER 31 HB3 SER 31 -6.926 19.243 -6.051 89 HG SER 31 HG SER 31 -4.587 20.799 -5.638 90 H VAL 32 H VAL 32 -7.099 18.463 -3.877 91 HA VAL 32 HA VAL 32 -7.594 15.796 -3.208 92 HB VAL 32 HB VAL 32 -9.540 18.107 -3.250 93 HG11 VAL 32 HG11 VAL 32 -10.807 16.784 -1.600 94 HG12 VAL 32 HG12 VAL 32 -10.729 15.998 -3.179 95 HG13 VAL 32 HG13 VAL 32 -9.702 15.435 -1.860 96 HG21 VAL 32 HG21 VAL 32 -7.260 17.651 -1.668 97 HG22 VAL 32 HG22 VAL 32 -8.507 18.876 -1.439 98 HG23 VAL 32 HG23 VAL 32 -8.655 17.308 -0.646 99 H GLY 33 H GLY 33 -9.361 17.859 -5.528 100 HA2 GLY 33 HA2 GLY 33 -11.143 15.982 -6.493 101 HA3 GLY 33 HA3 GLY 33 -10.510 17.318 -7.442 102 H GLU 34 H GLU 34 -8.127 16.877 -8.174 103 HA GLU 34 HA GLU 34 -8.158 14.870 -10.066 104 HB2 GLU 34 HB2 GLU 34 -6.585 16.682 -10.231 105 HB3 GLU 34 HB3 GLU 34 -5.807 16.211 -8.727 106 HG2 GLU 34 HG2 GLU 34 -4.428 15.548 -10.566 107 HG3 GLU 34 HG3 GLU 34 -5.090 14.107 -9.798 108 H TRP 35 H TRP 35 -6.631 14.803 -6.857 109 HA TRP 35 HA TRP 35 -5.466 12.304 -6.949 110 HB2 TRP 35 HB2 TRP 35 -5.059 13.743 -5.074 111 HB3 TRP 35 HB3 TRP 35 -6.764 13.748 -4.635 112 HD1 TRP 35 HD1 TRP 35 -4.734 10.567 -5.431 113 HE1 TRP 35 HE1 TRP 35 -4.714 9.079 -3.331 114 HE3 TRP 35 HE3 TRP 35 -7.067 13.737 -2.169 115 HZ2 TRP 35 HZ2 TRP 35 -5.573 9.230 -0.647 116 HZ3 TRP 35 HZ3 TRP 35 -7.430 12.988 0.147 117 HH2 TRP 35 HH2 TRP 35 -6.698 10.780 0.890 118 H LEU 36 H LEU 36 -8.729 13.064 -5.720 119 HA LEU 36 HA LEU 36 -9.492 10.370 -5.354 120 HB2 LEU 36 HB2 LEU 36 -11.214 12.806 -5.788 121 HB3 LEU 36 HB3 LEU 36 -11.776 11.249 -5.184 122 HG LEU 36 HG LEU 36 -9.647 12.736 -3.702 123 HD11 LEU 36 HD11 LEU 36 -11.464 14.349 -4.130 124 HD12 LEU 36 HD12 LEU 36 -11.312 13.925 -2.426 125 HD13 LEU 36 HD13 LEU 36 -12.606 13.223 -3.397 126 HD21 LEU 36 HD21 LEU 36 -9.907 10.998 -2.349 127 HD22 LEU 36 HD22 LEU 36 -11.232 10.379 -3.333 128 HD23 LEU 36 HD23 LEU 36 -11.559 11.527 -2.034 129 H GLU 37 H GLU 37 -9.537 12.495 -8.110 130 HA GLU 37 HA GLU 37 -11.386 11.047 -9.691 131 HB2 GLU 37 HB2 GLU 37 -9.695 13.347 -9.992 132 HB3 GLU 37 HB3 GLU 37 -9.510 12.305 -11.395 133 HG2 GLU 37 HG2 GLU 37 -12.281 12.516 -10.757 134 HG3 GLU 37 HG3 GLU 37 -11.578 14.131 -10.837 135 H SER 38 H SER 38 -8.001 10.655 -9.005 136 HA SER 38 HA SER 38 -7.402 8.946 -11.208 137 HB2 SER 38 HB2 SER 38 -5.429 9.757 -10.402 138 HB3 SER 38 HB3 SER 38 -6.022 9.843 -8.743 139 HG SER 38 HG SER 38 -4.747 8.156 -8.561 140 H ILE 39 H ILE 39 -8.923 8.498 -8.158 141 HA ILE 39 HA ILE 39 -8.647 5.578 -8.368 142 HB ILE 39 HB ILE 39 -9.416 5.464 -6.058 143 HG12 ILE 39 HG12 ILE 39 -9.424 8.487 -6.090 144 HG13 ILE 39 HG13 ILE 39 -10.877 7.497 -6.189 145 HG21 ILE 39 HG21 ILE 39 -7.463 7.331 -5.338 146 HG22 ILE 39 HG22 ILE 39 -7.245 5.604 -5.615 147 HG23 ILE 39 HG23 ILE 39 -6.998 6.746 -6.936 148 HD11 ILE 39 HD11 ILE 39 -9.021 7.040 -3.920 149 HD12 ILE 39 HD12 ILE 39 -10.032 8.485 -3.907 150 HD13 ILE 39 HD13 ILE 39 -10.777 6.888 -3.999 151 H GLY 40 H GLY 40 -10.859 8.170 -8.747 152 HA2 GLY 40 HA2 GLY 40 -12.923 7.922 -9.882 153 HA3 GLY 40 HA3 GLY 40 -12.976 6.243 -9.368 154 H LEU 41 H LEU 41 -12.178 8.671 -7.040 155 HA LEU 41 HA LEU 41 -14.864 8.379 -5.865 156 HB2 LEU 41 HB2 LEU 41 -12.643 7.457 -4.740 157 HB3 LEU 41 HB3 LEU 41 -12.534 9.125 -4.181 158 HG LEU 41 HG LEU 41 -14.811 8.852 -3.179 159 HD11 LEU 41 HD11 LEU 41 -15.147 6.742 -4.737 160 HD12 LEU 41 HD12 LEU 41 -15.947 6.879 -3.172 161 HD13 LEU 41 HD13 LEU 41 -14.485 5.906 -3.332 162 HD21 LEU 41 HD21 LEU 41 -12.377 7.387 -2.316 163 HD22 LEU 41 HD22 LEU 41 -13.875 7.090 -1.434 164 HD23 LEU 41 HD23 LEU 41 -13.226 8.727 -1.548 165 H GLN 42 H GLN 42 -13.403 10.460 -7.669 166 HA GLN 42 HA GLN 42 -13.115 12.862 -6.306 167 HB2 GLN 42 HB2 GLN 42 -12.660 12.238 -8.798 168 HB3 GLN 42 HB3 GLN 42 -14.310 12.788 -9.054 169 HG2 GLN 42 HG2 GLN 42 -12.961 14.738 -7.494 170 HG3 GLN 42 HG3 GLN 42 -11.941 14.322 -8.871 171 HE21 GLN 42 HE21 GLN 42 -15.460 14.502 -8.511 172 HE22 GLN 42 HE22 GLN 42 -15.704 15.656 -9.772 173 H GLN 43 H GLN 43 -15.970 11.106 -7.100 174 HA GLN 43 HA GLN 43 -17.846 13.208 -7.078 175 HB2 GLN 43 HB2 GLN 43 -19.519 11.460 -6.674 176 HB3 GLN 43 HB3 GLN 43 -18.390 10.988 -7.937 177 HG2 GLN 43 HG2 GLN 43 -17.281 10.021 -5.572 178 HG3 GLN 43 HG3 GLN 43 -19.008 9.690 -5.447 179 HE21 GLN 43 HE21 GLN 43 -16.776 7.846 -5.775 180 HE22 GLN 43 HE22 GLN 43 -17.096 6.957 -7.221 181 H TYR 44 H TYR 44 -16.350 11.340 -4.519 182 HA TYR 44 HA TYR 44 -18.068 12.500 -2.486 183 HB2 TYR 44 HB2 TYR 44 -16.347 10.203 -2.681 184 HB3 TYR 44 HB3 TYR 44 -15.907 11.156 -1.269 185 HD1 TYR 44 HD1 TYR 44 -18.413 12.180 -0.279 186 HD2 TYR 44 HD2 TYR 44 -17.562 8.369 -1.970 187 HE1 TYR 44 HE1 TYR 44 -20.301 11.212 0.966 188 HE2 TYR 44 HE2 TYR 44 -19.449 7.392 -0.732 189 HH TYR 44 HH TYR 44 -21.762 9.335 0.929 190 H GLU 45 H GLU 45 -15.735 13.792 -4.218 191 HA GLU 45 HA GLU 45 -13.802 14.752 -2.444 192 HB2 GLU 45 HB2 GLU 45 -13.431 15.000 -4.785 193 HB3 GLU 45 HB3 GLU 45 -14.925 15.903 -4.994 194 HG2 GLU 45 HG2 GLU 45 -14.000 17.762 -3.731 195 HG3 GLU 45 HG3 GLU 45 -12.510 16.856 -3.473 196 H SER 46 H SER 46 -16.939 16.112 -3.378 197 HA SER 46 HA SER 46 -16.843 18.554 -2.123 198 HB2 SER 46 HB2 SER 46 -19.421 17.879 -1.638 199 HB3 SER 46 HB3 SER 46 -18.829 18.382 -3.222 200 HG SER 46 HG SER 46 -19.996 16.442 -3.376 201 H LYS 47 H LYS 47 -17.677 15.421 -0.690 202 HA LYS 47 HA LYS 47 -18.264 16.410 1.891 203 HB2 LYS 47 HB2 LYS 47 -17.436 13.678 0.914 204 HB3 LYS 47 HB3 LYS 47 -17.856 14.006 2.589 205 HG2 LYS 47 HG2 LYS 47 -19.660 14.348 0.202 206 HG3 LYS 47 HG3 LYS 47 -19.740 13.056 1.403 207 HD2 LYS 47 HD2 LYS 47 -19.941 15.055 3.087 208 HD3 LYS 47 HD3 LYS 47 -20.477 15.938 1.656 209 HE2 LYS 47 HE2 LYS 47 -22.352 14.591 1.378 210 HE3 LYS 47 HE3 LYS 47 -21.675 13.282 2.346 211 HZ1 LYS 47 HZ1 LYS 47 -21.793 15.129 4.197 212 HZ2 LYS 47 HZ2 LYS 47 -23.126 14.152 3.836 213 HZ3 LYS 47 HZ3 LYS 47 -23.034 15.720 3.209 214 H LEU 48 H LEU 48 -15.297 15.241 0.386 215 HA LEU 48 HA LEU 48 -13.767 15.418 2.814 216 HB2 LEU 48 HB2 LEU 48 -13.422 13.976 0.619 217 HB3 LEU 48 HB3 LEU 48 -12.462 15.376 0.144 218 HG LEU 48 HG LEU 48 -11.920 14.103 2.785 219 HD11 LEU 48 HD11 LEU 48 -12.050 12.193 1.306 220 HD12 LEU 48 HD12 LEU 48 -10.367 12.529 1.710 221 HD13 LEU 48 HD13 LEU 48 -11.006 12.996 0.134 222 HD21 LEU 48 HD21 LEU 48 -9.548 14.673 1.821 223 HD22 LEU 48 HD22 LEU 48 -10.573 15.938 2.500 224 HD23 LEU 48 HD23 LEU 48 -10.470 15.730 0.751 225 H LEU 49 H LEU 49 -14.982 17.695 0.745 226 HA LEU 49 HA LEU 49 -12.741 19.550 1.181 227 HB2 LEU 49 HB2 LEU 49 -13.287 19.375 -1.129 228 HB3 LEU 49 HB3 LEU 49 -15.008 19.564 -0.798 229 HG LEU 49 HG LEU 49 -14.643 21.899 -0.186 230 HD11 LEU 49 HD11 LEU 49 -12.574 22.254 0.658 231 HD12 LEU 49 HD12 LEU 49 -12.230 22.694 -1.014 232 HD13 LEU 49 HD13 LEU 49 -11.810 21.087 -0.422 233 HD21 LEU 49 HD21 LEU 49 -13.743 22.647 -2.489 234 HD22 LEU 49 HD22 LEU 49 -15.226 21.694 -2.423 235 HD23 LEU 49 HD23 LEU 49 -13.699 20.922 -2.855 236 H LEU 50 H LEU 50 -16.185 19.078 1.670 237 HA LEU 50 HA LEU 50 -16.550 21.679 2.872 238 HB2 LEU 50 HB2 LEU 50 -18.221 19.580 1.870 239 HB3 LEU 50 HB3 LEU 50 -18.714 19.989 3.511 240 HG LEU 50 HG LEU 50 -19.917 21.185 1.635 241 HD11 LEU 50 HD11 LEU 50 -18.488 22.776 3.758 242 HD12 LEU 50 HD12 LEU 50 -20.061 21.990 3.892 243 HD13 LEU 50 HD13 LEU 50 -19.854 23.367 2.810 244 HD21 LEU 50 HD21 LEU 50 -17.589 23.032 1.488 245 HD22 LEU 50 HD22 LEU 50 -18.882 22.745 0.323 246 HD23 LEU 50 HD23 LEU 50 -17.575 21.573 0.496 247 H ASN 51 H ASN 51 -15.469 18.632 3.891 248 HA ASN 51 HA ASN 51 -16.241 19.066 6.674 249 HB2 ASN 51 HB2 ASN 51 -15.035 16.747 5.183 250 HB3 ASN 51 HB3 ASN 51 -15.015 16.804 6.943 251 HD21 ASN 51 HD21 ASN 51 -17.457 17.786 4.574 252 HD22 ASN 51 HD22 ASN 51 -18.714 16.776 5.194 253 H GLY 52 H GLY 52 -14.169 20.638 5.098 254 HA2 GLY 52 HA2 GLY 52 -12.072 21.525 5.425 255 HA3 GLY 52 HA3 GLY 52 -12.423 21.271 7.128 256 H PHE 53 H PHE 53 -11.590 19.219 4.329 257 HA PHE 53 HA PHE 53 -9.280 18.212 5.800 258 HB2 PHE 53 HB2 PHE 53 -11.618 16.775 5.851 259 HB3 PHE 53 HB3 PHE 53 -10.782 16.066 4.474 260 HD1 PHE 53 HD1 PHE 53 -7.968 16.318 5.403 261 HD2 PHE 53 HD2 PHE 53 -11.491 15.087 7.451 262 HE1 PHE 53 HE1 PHE 53 -6.600 14.959 6.932 263 HE2 PHE 53 HE2 PHE 53 -10.128 13.727 8.984 264 HZ PHE 53 HZ PHE 53 -7.680 13.662 8.726 265 H ASP 54 H ASP 54 -10.123 19.745 3.246 266 HA ASP 54 HA ASP 54 -9.275 18.184 1.039 267 HB2 ASP 54 HB2 ASP 54 -9.522 20.111 -0.239 268 HB3 ASP 54 HB3 ASP 54 -10.618 20.421 1.105 269 H ASP 55 H ASP 55 -7.577 19.794 3.535 270 HA ASP 55 HA ASP 55 -5.194 20.536 2.356 271 HB2 ASP 55 HB2 ASP 55 -5.581 19.258 5.072 272 HB3 ASP 55 HB3 ASP 55 -4.154 20.156 4.561 273 H VAL 56 H VAL 56 -4.234 19.291 0.851 274 HA VAL 56 HA VAL 56 -4.102 16.454 0.980 275 HB VAL 56 HB VAL 56 -2.491 18.379 -0.703 276 HG11 VAL 56 HG11 VAL 56 -2.270 16.316 -2.181 277 HG12 VAL 56 HG12 VAL 56 -1.297 16.354 -0.710 278 HG13 VAL 56 HG13 VAL 56 -2.772 15.389 -0.767 279 HG21 VAL 56 HG21 VAL 56 -4.360 18.680 -1.863 280 HG22 VAL 56 HG22 VAL 56 -4.385 16.955 -2.230 281 HG23 VAL 56 HG23 VAL 56 -5.232 17.567 -0.809 282 H HIS 57 H HIS 57 -2.190 18.985 2.304 283 HA HIS 57 HA HIS 57 0.128 17.270 2.722 284 HB2 HIS 57 HB2 HIS 57 1.237 19.225 3.566 285 HB3 HIS 57 HB3 HIS 57 0.372 19.690 2.104 286 HD1 HIS 57 HD1 HIS 57 0.685 20.469 5.674 287 HD2 HIS 57 HD2 HIS 57 -2.027 21.218 2.617 288 HE1 HIS 57 HE1 HIS 57 -0.773 22.339 6.512 289 H PHE 58 H PHE 58 -2.685 17.142 4.065 290 HA PHE 58 HA PHE 58 -1.677 16.972 6.829 291 HB2 PHE 58 HB2 PHE 58 -3.784 18.501 5.929 292 HB3 PHE 58 HB3 PHE 58 -4.589 17.052 6.520 293 HD1 PHE 58 HD1 PHE 58 -1.681 19.087 7.680 294 HD2 PHE 58 HD2 PHE 58 -5.454 17.352 8.616 295 HE1 PHE 58 HE1 PHE 58 -1.492 19.929 9.983 296 HE2 PHE 58 HE2 PHE 58 -5.271 18.192 10.922 297 HZ PHE 58 HZ PHE 58 -3.288 19.483 11.608 298 H LEU 59 H LEU 59 -3.059 15.304 4.186 299 HA LEU 59 HA LEU 59 -4.444 13.222 5.365 300 HB2 LEU 59 HB2 LEU 59 -2.611 12.984 2.987 301 HB3 LEU 59 HB3 LEU 59 -3.972 11.936 3.381 302 HG LEU 59 HG LEU 59 -4.402 14.852 2.847 303 HD11 LEU 59 HD11 LEU 59 -4.149 12.664 0.790 304 HD12 LEU 59 HD12 LEU 59 -3.140 14.102 0.941 305 HD13 LEU 59 HD13 LEU 59 -4.836 14.260 0.486 306 HD21 LEU 59 HD21 LEU 59 -6.546 13.705 1.888 307 HD22 LEU 59 HD22 LEU 59 -6.363 13.936 3.626 308 HD23 LEU 59 HD23 LEU 59 -6.039 12.359 2.907 309 H GLY 60 H GLY 60 -1.018 13.816 5.258 310 HA2 GLY 60 HA2 GLY 60 -0.360 11.129 6.163 311 HA3 GLY 60 HA3 GLY 60 0.777 12.430 5.841 312 H SER 61 H SER 61 -0.983 14.235 7.539 313 HA SER 61 HA SER 61 0.303 13.545 10.061 314 HB2 SER 61 HB2 SER 61 0.209 15.905 8.898 315 HB3 SER 61 HB3 SER 61 -1.362 16.008 9.692 316 HG SER 61 HG SER 61 1.164 16.131 10.762 317 H ASN 62 H ASN 62 -2.923 14.799 9.190 318 HA ASN 62 HA ASN 62 -4.226 14.169 11.536 319 HB2 ASN 62 HB2 ASN 62 -5.016 15.388 9.316 320 HB3 ASN 62 HB3 ASN 62 -5.711 13.806 8.972 321 HD21 ASN 62 HD21 ASN 62 -6.898 16.466 9.628 322 HD22 ASN 62 HD22 ASN 62 -7.978 16.153 10.940 323 H VAL 63 H VAL 63 -5.528 12.436 12.217 324 HA VAL 63 HA VAL 63 -4.507 9.891 11.928 325 HB VAL 63 HB VAL 63 -5.955 10.375 13.772 326 HG11 VAL 63 HG11 VAL 63 -7.379 12.004 12.503 327 HG12 VAL 63 HG12 VAL 63 -8.259 10.622 11.848 328 HG13 VAL 63 HG13 VAL 63 -8.264 10.927 13.585 329 HG21 VAL 63 HG21 VAL 63 -7.468 8.462 13.713 330 HG22 VAL 63 HG22 VAL 63 -7.291 8.363 11.961 331 HG23 VAL 63 HG23 VAL 63 -5.906 8.049 13.006 332 H MET 64 H MET 64 -7.250 11.351 10.210 333 HA MET 64 HA MET 64 -8.464 10.645 8.408 334 HB2 MET 64 HB2 MET 64 -6.132 11.253 7.512 335 HB3 MET 64 HB3 MET 64 -5.869 9.519 7.381 336 HG2 MET 64 HG2 MET 64 -6.634 9.891 5.294 337 HG3 MET 64 HG3 MET 64 -8.187 9.662 6.095 338 HE1 MET 64 HE1 MET 64 -9.023 12.198 3.470 339 HE2 MET 64 HE2 MET 64 -8.982 10.516 3.996 340 HE3 MET 64 HE3 MET 64 -10.072 11.659 4.782 341 H GLU 65 H GLU 65 -8.985 8.912 10.317 342 HA GLU 65 HA GLU 65 -8.391 6.208 9.413 343 HB2 GLU 65 HB2 GLU 65 -9.043 7.425 11.918 344 HB3 GLU 65 HB3 GLU 65 -10.243 6.189 11.564 345 HG2 GLU 65 HG2 GLU 65 -7.325 5.596 11.304 346 HG3 GLU 65 HG3 GLU 65 -8.122 5.546 12.875 347 H GLU 66 H GLU 66 -10.373 4.652 9.627 348 HA GLU 66 HA GLU 66 -12.081 5.101 7.507 349 HB2 GLU 66 HB2 GLU 66 -13.539 3.319 8.619 350 HB3 GLU 66 HB3 GLU 66 -11.878 2.879 8.244 351 HG2 GLU 66 HG2 GLU 66 -11.221 3.146 10.526 352 HG3 GLU 66 HG3 GLU 66 -12.798 3.809 10.951 353 H GLN 67 H GLN 67 -12.606 5.761 10.942 354 HA GLN 67 HA GLN 67 -15.293 6.479 10.845 355 HB2 GLN 67 HB2 GLN 67 -13.541 6.271 12.836 356 HB3 GLN 67 HB3 GLN 67 -13.471 8.016 12.630 357 HG2 GLN 67 HG2 GLN 67 -15.179 8.035 14.065 358 HG3 GLN 67 HG3 GLN 67 -16.148 7.603 12.658 359 HE21 GLN 67 HE21 GLN 67 -17.670 6.375 13.617 360 HE22 GLN 67 HE22 GLN 67 -17.346 4.900 14.457 361 H ASP 68 H ASP 68 -12.401 8.455 10.319 362 HA ASP 68 HA ASP 68 -13.668 10.934 10.043 363 HB2 ASP 68 HB2 ASP 68 -11.341 11.031 10.262 364 HB3 ASP 68 HB3 ASP 68 -11.077 9.813 9.018 365 H LEU 69 H LEU 69 -12.910 8.453 7.628 366 HA LEU 69 HA LEU 69 -13.953 9.949 5.433 367 HB2 LEU 69 HB2 LEU 69 -13.708 6.969 5.436 368 HB3 LEU 69 HB3 LEU 69 -13.464 8.104 4.110 369 HG LEU 69 HG LEU 69 -11.599 7.549 6.412 370 HD11 LEU 69 HD11 LEU 69 -10.141 7.220 4.205 371 HD12 LEU 69 HD12 LEU 69 -11.725 6.798 3.555 372 HD13 LEU 69 HD13 LEU 69 -11.075 5.914 4.936 373 HD21 LEU 69 HD21 LEU 69 -11.643 9.760 4.397 374 HD22 LEU 69 HD22 LEU 69 -10.114 9.160 5.039 375 HD23 LEU 69 HD23 LEU 69 -11.325 9.834 6.130 376 H ARG 70 H ARG 70 -15.309 7.856 7.824 377 HA ARG 70 HA ARG 70 -17.707 7.250 6.358 378 HB2 ARG 70 HB2 ARG 70 -16.745 5.786 8.152 379 HB3 ARG 70 HB3 ARG 70 -17.218 7.004 9.329 380 HG2 ARG 70 HG2 ARG 70 -19.332 6.308 9.353 381 HG3 ARG 70 HG3 ARG 70 -19.410 6.218 7.593 382 HD2 ARG 70 HD2 ARG 70 -17.824 4.104 8.102 383 HD3 ARG 70 HD3 ARG 70 -18.787 4.126 9.579 384 HE ARG 70 HE ARG 70 -20.540 4.358 7.430 385 HH11 ARG 70 HH11 ARG 70 -18.298 2.037 8.737 386 HH12 ARG 70 HH12 ARG 70 -19.173 0.664 8.142 387 HH21 ARG 70 HH21 ARG 70 -21.699 2.559 6.642 388 HH22 ARG 70 HH22 ARG 70 -21.106 0.962 6.950 389 H ASP 71 H ASP 71 -16.745 9.561 8.842 390 HA ASP 71 HA ASP 71 -19.319 10.600 9.366 391 HB2 ASP 71 HB2 ASP 71 -17.669 11.084 10.977 392 HB3 ASP 71 HB3 ASP 71 -16.535 11.671 9.765 393 H ILE 72 H ILE 72 -16.897 11.327 6.940 394 HA ILE 72 HA ILE 72 -18.194 13.715 6.012 395 HB ILE 72 HB ILE 72 -16.600 13.642 4.156 396 HG12 ILE 72 HG12 ILE 72 -15.598 11.059 5.369 397 HG13 ILE 72 HG13 ILE 72 -16.615 11.141 3.934 398 HG21 ILE 72 HG21 ILE 72 -14.625 13.045 6.119 399 HG22 ILE 72 HG22 ILE 72 -15.177 14.620 5.547 400 HG23 ILE 72 HG23 ILE 72 -15.985 13.844 6.909 401 HD11 ILE 72 HD11 ILE 72 -13.811 12.166 4.261 402 HD12 ILE 72 HD12 ILE 72 -14.382 10.875 3.205 403 HD13 ILE 72 HD13 ILE 72 -14.833 12.548 2.875 404 H GLY 73 H GLY 73 -18.410 10.319 5.330 405 HA2 GLY 73 HA2 GLY 73 -20.769 10.024 4.243 406 HA3 GLY 73 HA3 GLY 73 -19.966 10.818 2.895 407 H ILE 74 H ILE 74 -17.433 9.594 3.148 408 HA ILE 74 HA ILE 74 -17.833 7.249 1.661 409 HB ILE 74 HB ILE 74 -15.344 8.015 3.189 410 HG12 ILE 74 HG12 ILE 74 -16.118 8.686 0.342 411 HG13 ILE 74 HG13 ILE 74 -16.170 9.818 1.689 412 HG21 ILE 74 HG21 ILE 74 -16.015 5.822 1.421 413 HG22 ILE 74 HG22 ILE 74 -14.645 6.756 0.823 414 HG23 ILE 74 HG23 ILE 74 -14.596 6.055 2.440 415 HD11 ILE 74 HD11 ILE 74 -13.697 9.358 1.978 416 HD12 ILE 74 HD12 ILE 74 -13.771 8.566 0.404 417 HD13 ILE 74 HD13 ILE 74 -14.178 10.275 0.550 418 H SER 75 H SER 75 -19.105 5.748 2.687 419 HA SER 75 HA SER 75 -18.051 4.617 5.195 420 HB2 SER 75 HB2 SER 75 -20.471 3.597 5.243 421 HB3 SER 75 HB3 SER 75 -20.212 5.271 5.735 422 HG SER 75 HG SER 75 -21.581 4.263 3.584 423 H ASP 76 H ASP 76 -18.320 4.074 1.913 424 HA ASP 76 HA ASP 76 -18.792 1.260 1.903 425 HB2 ASP 76 HB2 ASP 76 -18.191 3.342 -0.057 426 HB3 ASP 76 HB3 ASP 76 -17.408 1.809 -0.428 427 HA PRO 77 HA PRO 77 -14.834 -0.312 2.972 428 HB2 PRO 77 HB2 PRO 77 -14.820 -2.622 1.546 429 HB3 PRO 77 HB3 PRO 77 -15.812 -2.391 2.991 430 HG2 PRO 77 HG2 PRO 77 -16.591 -2.195 0.107 431 HG3 PRO 77 HG3 PRO 77 -17.462 -2.955 1.452 432 HD2 PRO 77 HD2 PRO 77 -18.100 -0.500 0.504 433 HD3 PRO 77 HD3 PRO 77 -18.297 -0.945 2.211 434 H GLN 78 H GLN 78 -15.576 -0.595 -0.504 435 HA GLN 78 HA GLN 78 -12.847 -0.638 -1.303 436 HB2 GLN 78 HB2 GLN 78 -15.355 -0.050 -2.882 437 HB3 GLN 78 HB3 GLN 78 -13.763 -0.281 -3.590 438 HG2 GLN 78 HG2 GLN 78 -13.695 -2.552 -2.909 439 HG3 GLN 78 HG3 GLN 78 -15.132 -2.358 -1.907 440 HE21 GLN 78 HE21 GLN 78 -16.764 -3.408 -2.771 441 HE22 GLN 78 HE22 GLN 78 -17.174 -3.458 -4.448 442 H HIS 79 H HIS 79 -14.852 1.838 -0.223 443 HA HIS 79 HA HIS 79 -13.384 3.913 -1.683 444 HB2 HIS 79 HB2 HIS 79 -15.863 4.045 0.042 445 HB3 HIS 79 HB3 HIS 79 -15.078 5.459 -0.657 446 HD1 HIS 79 HD1 HIS 79 -17.672 5.517 -1.687 447 HD2 HIS 79 HD2 HIS 79 -14.978 2.782 -3.276 448 HE1 HIS 79 HE1 HIS 79 -18.612 4.872 -3.929 449 H ARG 80 H ARG 80 -13.967 2.664 1.546 450 HA ARG 80 HA ARG 80 -12.529 4.762 2.874 451 HB2 ARG 80 HB2 ARG 80 -14.031 2.377 3.635 452 HB3 ARG 80 HB3 ARG 80 -12.597 2.618 4.623 453 HG2 ARG 80 HG2 ARG 80 -13.404 4.994 4.968 454 HG3 ARG 80 HG3 ARG 80 -14.930 4.469 4.254 455 HD2 ARG 80 HD2 ARG 80 -13.663 3.054 6.585 456 HD3 ARG 80 HD3 ARG 80 -14.765 4.415 6.791 457 HE ARG 80 HE ARG 80 -16.527 3.076 6.080 458 HH11 ARG 80 HH11 ARG 80 -13.491 1.390 5.839 459 HH12 ARG 80 HH12 ARG 80 -14.224 -0.165 5.623 460 HH21 ARG 80 HH21 ARG 80 -17.503 1.034 5.796 461 HH22 ARG 80 HH22 ARG 80 -16.505 -0.367 5.598 462 H ARG 81 H ARG 81 -11.814 1.472 1.809 463 HA ARG 81 HA ARG 81 -9.232 1.349 2.997 464 HB2 ARG 81 HB2 ARG 81 -10.866 -0.508 1.943 465 HB3 ARG 81 HB3 ARG 81 -9.792 -0.265 0.572 466 HG2 ARG 81 HG2 ARG 81 -8.873 -2.050 1.778 467 HG3 ARG 81 HG3 ARG 81 -7.877 -0.651 2.186 468 HD2 ARG 81 HD2 ARG 81 -8.832 -0.449 4.314 469 HD3 ARG 81 HD3 ARG 81 -10.217 -1.453 3.883 470 HE ARG 81 HE ARG 81 -8.028 -3.092 3.640 471 HH11 ARG 81 HH11 ARG 81 -9.461 -1.183 6.174 472 HH12 ARG 81 HH12 ARG 81 -8.922 -2.229 7.446 473 HH21 ARG 81 HH21 ARG 81 -7.313 -4.477 5.306 474 HH22 ARG 81 HH22 ARG 81 -7.699 -4.102 6.952 475 H LYS 82 H LYS 82 -10.447 2.352 -0.148 476 HA LYS 82 HA LYS 82 -7.938 2.565 -1.438 477 HB2 LYS 82 HB2 LYS 82 -10.385 2.598 -2.393 478 HB3 LYS 82 HB3 LYS 82 -10.243 4.335 -2.160 479 HG2 LYS 82 HG2 LYS 82 -8.941 4.575 -3.950 480 HG3 LYS 82 HG3 LYS 82 -7.940 3.186 -3.517 481 HD2 LYS 82 HD2 LYS 82 -9.888 1.749 -4.332 482 HD3 LYS 82 HD3 LYS 82 -10.522 3.228 -5.057 483 HE2 LYS 82 HE2 LYS 82 -8.674 3.438 -6.495 484 HE3 LYS 82 HE3 LYS 82 -7.720 2.278 -5.573 485 HZ1 LYS 82 HZ1 LYS 82 -9.092 0.506 -6.335 486 HZ2 LYS 82 HZ2 LYS 82 -8.623 1.400 -7.692 487 HZ3 LYS 82 HZ3 LYS 82 -10.185 1.571 -7.065 488 H LEU 83 H LEU 83 -9.992 4.975 0.180 489 HA LEU 83 HA LEU 83 -8.274 7.169 -0.232 490 HB2 LEU 83 HB2 LEU 83 -10.775 6.798 0.826 491 HB3 LEU 83 HB3 LEU 83 -9.827 7.238 2.244 492 HG LEU 83 HG LEU 83 -9.050 9.247 0.809 493 HD11 LEU 83 HD11 LEU 83 -9.829 9.260 -1.274 494 HD12 LEU 83 HD12 LEU 83 -11.399 9.670 -0.583 495 HD13 LEU 83 HD13 LEU 83 -11.000 7.987 -0.929 496 HD21 LEU 83 HD21 LEU 83 -11.475 10.274 1.322 497 HD22 LEU 83 HD22 LEU 83 -10.271 9.961 2.573 498 HD23 LEU 83 HD23 LEU 83 -11.567 8.800 2.287 499 H LEU 84 H LEU 84 -8.293 4.611 2.123 500 HA LEU 84 HA LEU 84 -6.460 5.922 3.919 501 HB2 LEU 84 HB2 LEU 84 -8.046 3.498 3.884 502 HB3 LEU 84 HB3 LEU 84 -6.413 3.200 4.476 503 HG LEU 84 HG LEU 84 -6.700 4.670 6.302 504 HD11 LEU 84 HD11 LEU 84 -9.226 5.709 6.295 505 HD12 LEU 84 HD12 LEU 84 -8.764 5.841 4.599 506 HD13 LEU 84 HD13 LEU 84 -7.761 6.584 5.845 507 HD21 LEU 84 HD21 LEU 84 -9.255 3.121 5.884 508 HD22 LEU 84 HD22 LEU 84 -8.702 3.780 7.424 509 HD23 LEU 84 HD23 LEU 84 -7.768 2.519 6.618 510 H GLN 85 H GLN 85 -6.286 3.596 1.301 511 HA GLN 85 HA GLN 85 -3.526 2.941 1.760 512 HB2 GLN 85 HB2 GLN 85 -5.492 1.652 0.468 513 HB3 GLN 85 HB3 GLN 85 -4.753 2.471 -0.901 514 HG2 GLN 85 HG2 GLN 85 -2.762 1.238 0.785 515 HG3 GLN 85 HG3 GLN 85 -3.965 0.070 0.241 516 HE21 GLN 85 HE21 GLN 85 -1.093 1.469 -0.502 517 HE22 GLN 85 HE22 GLN 85 -1.070 1.203 -2.208 518 H ALA 86 H ALA 86 -5.315 5.071 -0.413 519 HA ALA 86 HA ALA 86 -3.008 5.894 -1.891 520 HB1 ALA 86 HB1 ALA 86 -5.575 5.979 -2.491 521 HB2 ALA 86 HB2 ALA 86 -5.447 7.591 -1.787 522 HB3 ALA 86 HB3 ALA 86 -4.435 7.146 -3.161 523 H ALA 87 H ALA 87 -4.402 6.790 1.113 524 HA ALA 87 HA ALA 87 -3.191 9.422 1.179 525 HB1 ALA 87 HB1 ALA 87 -4.099 9.514 3.479 526 HB2 ALA 87 HB2 ALA 87 -5.325 9.150 2.262 527 HB3 ALA 87 HB3 ALA 87 -4.685 7.861 3.281 528 H ARG 88 H ARG 88 -2.704 6.266 2.716 529 HA ARG 88 HA ARG 88 -0.467 7.139 4.273 530 HB2 ARG 88 HB2 ARG 88 -2.023 4.707 3.942 531 HB3 ARG 88 HB3 ARG 88 -0.302 4.367 4.058 532 HG2 ARG 88 HG2 ARG 88 -0.328 4.694 6.246 533 HG3 ARG 88 HG3 ARG 88 -1.061 6.287 6.049 534 HD2 ARG 88 HD2 ARG 88 -3.195 4.714 5.565 535 HD3 ARG 88 HD3 ARG 88 -2.301 3.687 6.685 536 HE ARG 88 HE ARG 88 -2.485 6.344 7.664 537 HH11 ARG 88 HH11 ARG 88 -4.321 3.415 7.251 538 HH12 ARG 88 HH12 ARG 88 -5.381 3.737 8.582 539 HH21 ARG 88 HH21 ARG 88 -3.874 6.779 9.421 540 HH22 ARG 88 HH22 ARG 88 -5.127 5.651 9.816 541 H SER 89 H SER 89 -0.900 6.183 1.032 542 HA SER 89 HA SER 89 1.748 5.156 0.603 543 HB2 SER 89 HB2 SER 89 -0.604 5.791 -1.128 544 HB3 SER 89 HB3 SER 89 0.981 5.629 -1.885 545 HG SER 89 HG SER 89 0.942 3.548 -1.525 546 H LEU 90 H LEU 90 0.511 8.222 1.071 547 HA LEU 90 HA LEU 90 1.894 9.803 -0.768 548 HB2 LEU 90 HB2 LEU 90 0.641 10.201 1.868 549 HB3 LEU 90 HB3 LEU 90 1.866 11.387 1.422 550 HG LEU 90 HG LEU 90 0.501 11.625 -0.764 551 HD11 LEU 90 HD11 LEU 90 -1.903 10.972 0.783 552 HD12 LEU 90 HD12 LEU 90 -0.947 9.580 0.275 553 HD13 LEU 90 HD13 LEU 90 -1.545 10.724 -0.926 554 HD21 LEU 90 HD21 LEU 90 0.683 13.413 0.819 555 HD22 LEU 90 HD22 LEU 90 -0.460 12.631 1.910 556 HD23 LEU 90 HD23 LEU 90 -1.012 13.257 0.357 557 HA PRO 91 HA PRO 91 6.117 9.771 0.425 558 HB2 PRO 91 HB2 PRO 91 6.827 12.379 0.169 559 HB3 PRO 91 HB3 PRO 91 6.500 11.331 -1.216 560 HG2 PRO 91 HG2 PRO 91 4.718 13.346 0.098 561 HG3 PRO 91 HG3 PRO 91 4.975 13.038 -1.629 562 HD2 PRO 91 HD2 PRO 91 2.819 12.098 -0.288 563 HD3 PRO 91 HD3 PRO 91 3.554 11.224 -1.647 564 H LYS 92 H LYS 92 3.819 11.406 2.289 565 HA LYS 92 HA LYS 92 5.194 12.837 4.174 566 HB2 LYS 92 HB2 LYS 92 3.411 11.958 5.806 567 HB3 LYS 92 HB3 LYS 92 2.861 12.838 4.386 568 HG2 LYS 92 HG2 LYS 92 1.446 10.947 4.684 569 HG3 LYS 92 HG3 LYS 92 2.457 10.652 3.268 570 HD2 LYS 92 HD2 LYS 92 3.470 8.887 4.217 571 HD3 LYS 92 HD3 LYS 92 3.616 9.693 5.780 572 HE2 LYS 92 HE2 LYS 92 0.999 8.618 4.768 573 HE3 LYS 92 HE3 LYS 92 2.138 7.617 5.665 574 HZ1 LYS 92 HZ1 LYS 92 1.591 8.590 7.580 575 HZ2 LYS 92 HZ2 LYS 92 0.219 9.160 6.770 576 HZ3 LYS 92 HZ3 LYS 92 1.586 10.147 6.917 577 H VAL 93 H VAL 93 5.893 12.295 6.354 578 HA VAL 93 HA VAL 93 7.839 10.322 6.444 579 HB VAL 93 HB VAL 93 7.761 12.240 7.992 580 HG11 VAL 93 HG11 VAL 93 5.165 11.398 8.477 581 HG12 VAL 93 HG12 VAL 93 6.030 11.022 9.968 582 HG13 VAL 93 HG13 VAL 93 6.037 12.668 9.335 583 HG21 VAL 93 HG21 VAL 93 8.934 11.168 9.624 584 HG22 VAL 93 HG22 VAL 93 7.738 9.883 9.797 585 HG23 VAL 93 HG23 VAL 93 8.862 9.865 8.438 586 H LYS 94 H LYS 94 7.947 8.248 7.198 587 HA LYS 94 HA LYS 94 5.860 6.966 8.633 588 HB2 LYS 94 HB2 LYS 94 5.389 7.153 5.892 589 HB3 LYS 94 HB3 LYS 94 6.013 5.523 6.115 590 HG2 LYS 94 HG2 LYS 94 4.212 5.714 8.153 591 HG3 LYS 94 HG3 LYS 94 3.444 6.679 6.889 592 HD2 LYS 94 HD2 LYS 94 3.400 4.870 5.387 593 HD3 LYS 94 HD3 LYS 94 4.558 3.941 6.342 594 HE2 LYS 94 HE2 LYS 94 2.539 4.336 8.133 595 HE3 LYS 94 HE3 LYS 94 1.651 4.192 6.617 596 HZ1 LYS 94 HZ1 LYS 94 1.921 2.043 7.653 597 HZ2 LYS 94 HZ2 LYS 94 3.602 2.225 7.685 598 HZ3 LYS 94 HZ3 LYS 94 2.794 2.092 6.206 599 H ALA 95 H ALA 95 6.235 4.352 8.040 600 HA ALA 95 HA ALA 95 8.841 3.860 9.114 601 HB1 ALA 95 HB1 ALA 95 8.168 1.460 8.926 602 HB2 ALA 95 HB2 ALA 95 7.050 2.467 9.848 603 HB3 ALA 95 HB3 ALA 95 6.658 2.001 8.193 604 H LEU 96 H LEU 96 10.029 4.866 7.303 605 HA LEU 96 HA LEU 96 10.054 3.636 4.733 606 HB2 LEU 96 HB2 LEU 96 11.795 5.110 4.195 607 HB3 LEU 96 HB3 LEU 96 10.757 5.998 5.309 608 HG LEU 96 HG LEU 96 12.793 4.717 6.827 609 HD11 LEU 96 HD11 LEU 96 13.833 4.890 4.404 610 HD12 LEU 96 HD12 LEU 96 14.779 5.245 5.848 611 HD13 LEU 96 HD13 LEU 96 14.090 6.563 4.898 612 HD21 LEU 96 HD21 LEU 96 13.373 7.083 7.346 613 HD22 LEU 96 HD22 LEU 96 11.663 6.700 7.548 614 HD23 LEU 96 HD23 LEU 96 12.207 7.588 6.123 615 H GLY 97 H GLY 97 12.251 2.842 3.833 616 HA2 GLY 97 HA2 GLY 97 13.909 1.393 5.702 617 HA3 GLY 97 HA3 GLY 97 12.856 0.364 4.742 618 H TYR 98 H TYR 98 15.900 1.430 4.919 619 HA TYR 98 HA TYR 98 17.662 1.502 3.484 620 HB2 TYR 98 HB2 TYR 98 15.918 -0.466 2.473 621 HB3 TYR 98 HB3 TYR 98 16.446 0.476 1.083 622 HD1 TYR 98 HD1 TYR 98 17.687 -1.464 3.995 623 HD2 TYR 98 HD2 TYR 98 18.591 0.169 0.171 624 HE1 TYR 98 HE1 TYR 98 19.813 -2.702 3.975 625 HE2 TYR 98 HE2 TYR 98 20.718 -1.065 0.140 626 HH TYR 98 HH TYR 98 21.556 -3.347 2.701 627 H ASP 99 H ASP 99 18.076 2.071 0.922 628 HA ASP 99 HA ASP 99 18.189 3.782 -0.572 629 HB2 ASP 99 HB2 ASP 99 15.653 2.969 -0.665 630 HB3 ASP 99 HB3 ASP 99 15.370 4.594 -0.045 631 H GLY 100 H GLY 100 17.478 6.265 -0.814 632 HA2 GLY 100 HA2 GLY 100 17.097 8.322 0.381 633 HA3 GLY 100 HA3 GLY 100 17.713 7.542 1.830 634 H ASN 101 H ASN 101 18.833 9.812 1.578 635 HA ASN 101 HA ASN 101 21.568 9.284 1.058 636 HB2 ASN 101 HB2 ASN 101 21.842 11.050 -0.731 637 HB3 ASN 101 HB3 ASN 101 21.061 9.561 -1.258 638 HD21 ASN 101 HD21 ASN 101 20.442 12.863 -0.205 639 HD22 ASN 101 HD22 ASN 101 18.960 13.054 -1.072 Start of MODEL 12 1 H MET 21 H MET 21 15.410 9.220 -1.930 2 HA MET 21 HA MET 21 16.416 10.370 -3.615 3 HB2 MET 21 HB2 MET 21 13.550 10.688 -4.519 4 HB3 MET 21 HB3 MET 21 14.949 11.110 -5.497 5 HG2 MET 21 HG2 MET 21 14.615 9.036 -6.307 6 HG3 MET 21 HG3 MET 21 15.602 8.596 -4.916 7 HE1 MET 21 HE1 MET 21 12.411 6.232 -5.923 8 HE2 MET 21 HE2 MET 21 13.849 6.930 -6.668 9 HE3 MET 21 HE3 MET 21 14.010 5.824 -5.302 10 H ILE 22 H ILE 22 17.171 11.993 -2.183 11 HA ILE 22 HA ILE 22 15.723 14.295 -1.474 12 HB ILE 22 HB ILE 22 17.748 15.220 -0.703 13 HG12 ILE 22 HG12 ILE 22 19.000 14.985 -2.830 14 HG13 ILE 22 HG13 ILE 22 19.957 14.508 -1.432 15 HG21 ILE 22 HG21 ILE 22 18.026 12.221 -0.549 16 HG22 ILE 22 HG22 ILE 22 18.803 13.386 0.522 17 HG23 ILE 22 HG23 ILE 22 17.047 13.228 0.517 18 HD11 ILE 22 HD11 ILE 22 20.358 12.939 -3.165 19 HD12 ILE 22 HD12 ILE 22 19.365 12.138 -1.947 20 HD13 ILE 22 HD13 ILE 22 18.631 12.713 -3.444 21 H SER 23 H SER 23 17.095 13.353 -4.440 22 HA SER 23 HA SER 23 16.929 16.117 -5.450 23 HB2 SER 23 HB2 SER 23 18.639 15.667 -6.999 24 HB3 SER 23 HB3 SER 23 19.186 14.855 -5.531 25 HG SER 23 HG SER 23 18.497 12.906 -6.385 26 H GLY 24 H GLY 24 16.125 16.384 -7.638 27 HA2 GLY 24 HA2 GLY 24 15.005 15.486 -9.571 28 HA3 GLY 24 HA3 GLY 24 14.430 14.162 -8.569 29 H LEU 25 H LEU 25 12.301 14.606 -9.356 30 HA LEU 25 HA LEU 25 11.086 17.140 -8.624 31 HB2 LEU 25 HB2 LEU 25 10.391 14.842 -10.320 32 HB3 LEU 25 HB3 LEU 25 9.030 15.588 -9.483 33 HG LEU 25 HG LEU 25 9.552 17.731 -10.525 34 HD11 LEU 25 HD11 LEU 25 11.269 17.954 -12.194 35 HD12 LEU 25 HD12 LEU 25 11.711 16.256 -12.023 36 HD13 LEU 25 HD13 LEU 25 11.995 17.380 -10.694 37 HD21 LEU 25 HD21 LEU 25 8.155 15.877 -11.639 38 HD22 LEU 25 HD22 LEU 25 9.532 15.698 -12.727 39 HD23 LEU 25 HD23 LEU 25 8.682 17.241 -12.626 40 H ARG 26 H ARG 26 8.832 16.975 -7.588 41 HA ARG 26 HA ARG 26 8.877 14.998 -5.406 42 HB2 ARG 26 HB2 ARG 26 8.794 17.945 -5.280 43 HB3 ARG 26 HB3 ARG 26 7.640 17.119 -4.241 44 HG2 ARG 26 HG2 ARG 26 9.410 15.914 -3.148 45 HG3 ARG 26 HG3 ARG 26 10.600 16.578 -4.268 46 HD2 ARG 26 HD2 ARG 26 8.921 18.195 -2.354 47 HD3 ARG 26 HD3 ARG 26 10.597 17.722 -2.080 48 HE ARG 26 HE ARG 26 10.484 19.055 -4.522 49 HH11 ARG 26 HH11 ARG 26 9.978 19.728 -1.144 50 HH12 ARG 26 HH12 ARG 26 10.435 21.394 -1.274 51 HH21 ARG 26 HH21 ARG 26 11.088 21.247 -4.706 52 HH22 ARG 26 HH22 ARG 26 11.066 22.258 -3.300 53 H THR 27 H THR 27 6.654 17.605 -6.366 54 HA THR 27 HA THR 27 4.566 15.568 -6.777 55 HB THR 27 HB THR 27 3.027 17.578 -5.966 56 HG1 THR 27 HG1 THR 27 4.187 18.530 -4.100 57 HG21 THR 27 HG21 THR 27 2.582 16.251 -4.199 58 HG22 THR 27 HG22 THR 27 4.259 16.250 -3.653 59 HG23 THR 27 HG23 THR 27 3.751 15.161 -4.943 60 H LEU 28 H LEU 28 2.882 16.144 -8.251 61 HA LEU 28 HA LEU 28 3.820 17.965 -10.338 62 HB2 LEU 28 HB2 LEU 28 1.445 16.135 -10.505 63 HB3 LEU 28 HB3 LEU 28 2.384 16.834 -11.823 64 HG LEU 28 HG LEU 28 4.176 15.255 -10.343 65 HD11 LEU 28 HD11 LEU 28 3.080 13.049 -10.447 66 HD12 LEU 28 HD12 LEU 28 1.557 13.847 -10.836 67 HD13 LEU 28 HD13 LEU 28 2.327 14.130 -9.275 68 HD21 LEU 28 HD21 LEU 28 4.330 15.609 -12.710 69 HD22 LEU 28 HD22 LEU 28 2.773 14.825 -12.977 70 HD23 LEU 28 HD23 LEU 28 4.152 13.879 -12.414 71 H GLU 29 H GLU 29 2.561 18.854 -7.790 72 HA GLU 29 HA GLU 29 1.111 20.459 -7.085 73 HB2 GLU 29 HB2 GLU 29 1.970 21.273 -9.568 74 HB3 GLU 29 HB3 GLU 29 0.221 21.324 -9.738 75 HG2 GLU 29 HG2 GLU 29 0.051 22.786 -7.811 76 HG3 GLU 29 HG3 GLU 29 1.796 22.699 -7.574 77 H GLN 30 H GLN 30 0.120 17.823 -7.449 78 HA GLN 30 HA GLN 30 -2.355 17.729 -8.778 79 HB2 GLN 30 HB2 GLN 30 -2.735 15.680 -7.645 80 HB3 GLN 30 HB3 GLN 30 -1.001 15.769 -7.925 81 HG2 GLN 30 HG2 GLN 30 -0.759 16.624 -5.586 82 HG3 GLN 30 HG3 GLN 30 -2.468 16.262 -5.349 83 HE21 GLN 30 HE21 GLN 30 -1.886 14.797 -3.700 84 HE22 GLN 30 HE22 GLN 30 -1.268 13.229 -4.077 85 H SER 31 H SER 31 -4.267 16.898 -7.051 86 HA SER 31 HA SER 31 -4.607 18.722 -4.860 87 HB2 SER 31 HB2 SER 31 -5.134 20.136 -6.877 88 HB3 SER 31 HB3 SER 31 -6.475 19.042 -7.218 89 HG SER 31 HG SER 31 -7.567 20.208 -5.868 90 H VAL 32 H VAL 32 -7.116 18.604 -4.214 91 HA VAL 32 HA VAL 32 -7.588 15.972 -3.404 92 HB VAL 32 HB VAL 32 -9.558 18.254 -3.614 93 HG11 VAL 32 HG11 VAL 32 -10.717 16.125 -3.467 94 HG12 VAL 32 HG12 VAL 32 -9.735 15.665 -2.075 95 HG13 VAL 32 HG13 VAL 32 -10.869 17.011 -1.950 96 HG21 VAL 32 HG21 VAL 32 -7.310 18.020 -2.019 97 HG22 VAL 32 HG22 VAL 32 -8.682 19.092 -1.740 98 HG23 VAL 32 HG23 VAL 32 -8.631 17.508 -0.967 99 H GLY 33 H GLY 33 -9.356 17.874 -5.858 100 HA2 GLY 33 HA2 GLY 33 -11.076 15.905 -6.753 101 HA3 GLY 33 HA3 GLY 33 -10.464 17.211 -7.757 102 H GLU 34 H GLU 34 -8.025 16.786 -8.384 103 HA GLU 34 HA GLU 34 -7.979 14.706 -10.202 104 HB2 GLU 34 HB2 GLU 34 -6.434 16.514 -10.441 105 HB3 GLU 34 HB3 GLU 34 -5.712 16.186 -8.872 106 HG2 GLU 34 HG2 GLU 34 -4.265 15.452 -10.672 107 HG3 GLU 34 HG3 GLU 34 -4.817 14.084 -9.707 108 H TRP 35 H TRP 35 -6.462 14.808 -6.984 109 HA TRP 35 HA TRP 35 -5.282 12.321 -6.949 110 HB2 TRP 35 HB2 TRP 35 -4.899 13.850 -5.141 111 HB3 TRP 35 HB3 TRP 35 -6.607 13.856 -4.710 112 HD1 TRP 35 HD1 TRP 35 -4.510 10.677 -5.339 113 HE1 TRP 35 HE1 TRP 35 -4.496 9.285 -3.174 114 HE3 TRP 35 HE3 TRP 35 -6.962 13.941 -2.260 115 HZ2 TRP 35 HZ2 TRP 35 -5.405 9.537 -0.513 116 HZ3 TRP 35 HZ3 TRP 35 -7.349 13.288 0.081 117 HH2 TRP 35 HH2 TRP 35 -6.586 11.131 0.934 118 H LEU 36 H LEU 36 -8.564 13.106 -5.791 119 HA LEU 36 HA LEU 36 -9.307 10.435 -5.275 120 HB2 LEU 36 HB2 LEU 36 -11.031 12.830 -5.894 121 HB3 LEU 36 HB3 LEU 36 -11.613 11.302 -5.236 122 HG LEU 36 HG LEU 36 -9.547 12.900 -3.768 123 HD11 LEU 36 HD11 LEU 36 -12.528 13.279 -3.542 124 HD12 LEU 36 HD12 LEU 36 -11.416 14.421 -4.293 125 HD13 LEU 36 HD13 LEU 36 -11.286 14.068 -2.571 126 HD21 LEU 36 HD21 LEU 36 -9.741 11.109 -2.455 127 HD22 LEU 36 HD22 LEU 36 -11.179 10.541 -3.304 128 HD23 LEU 36 HD23 LEU 36 -11.330 11.734 -2.013 129 H GLU 37 H GLU 37 -9.412 12.414 -8.155 130 HA GLU 37 HA GLU 37 -11.172 10.810 -9.672 131 HB2 GLU 37 HB2 GLU 37 -9.606 13.157 -10.075 132 HB3 GLU 37 HB3 GLU 37 -9.260 12.041 -11.390 133 HG2 GLU 37 HG2 GLU 37 -12.083 12.130 -10.903 134 HG3 GLU 37 HG3 GLU 37 -11.452 13.762 -11.125 135 H SER 38 H SER 38 -7.796 10.546 -8.908 136 HA SER 38 HA SER 38 -7.112 8.734 -11.003 137 HB2 SER 38 HB2 SER 38 -5.683 10.195 -9.157 138 HB3 SER 38 HB3 SER 38 -5.498 8.547 -8.560 139 HG SER 38 HG SER 38 -3.995 8.461 -10.034 140 H ILE 39 H ILE 39 -8.603 8.418 -7.904 141 HA ILE 39 HA ILE 39 -8.270 5.502 -7.960 142 HB ILE 39 HB ILE 39 -9.073 5.503 -5.656 143 HG12 ILE 39 HG12 ILE 39 -9.154 8.517 -5.887 144 HG13 ILE 39 HG13 ILE 39 -10.578 7.483 -5.907 145 HG21 ILE 39 HG21 ILE 39 -7.105 7.610 -5.329 146 HG22 ILE 39 HG22 ILE 39 -7.008 5.898 -4.918 147 HG23 ILE 39 HG23 ILE 39 -6.634 6.434 -6.556 148 HD11 ILE 39 HD11 ILE 39 -8.635 7.829 -3.638 149 HD12 ILE 39 HD12 ILE 39 -10.297 8.416 -3.719 150 HD13 ILE 39 HD13 ILE 39 -9.975 6.684 -3.651 151 H GLY 40 H GLY 40 -10.523 7.975 -8.606 152 HA2 GLY 40 HA2 GLY 40 -12.574 7.621 -9.710 153 HA3 GLY 40 HA3 GLY 40 -12.579 5.965 -9.121 154 H LEU 41 H LEU 41 -12.040 8.797 -7.112 155 HA LEU 41 HA LEU 41 -14.699 8.407 -5.914 156 HB2 LEU 41 HB2 LEU 41 -12.052 8.216 -4.676 157 HB3 LEU 41 HB3 LEU 41 -13.179 9.261 -3.812 158 HG LEU 41 HG LEU 41 -13.226 7.035 -2.875 159 HD11 LEU 41 HD11 LEU 41 -15.777 6.967 -4.340 160 HD12 LEU 41 HD12 LEU 41 -15.397 8.491 -3.539 161 HD13 LEU 41 HD13 LEU 41 -15.458 6.997 -2.605 162 HD21 LEU 41 HD21 LEU 41 -12.926 6.223 -5.557 163 HD22 LEU 41 HD22 LEU 41 -14.471 5.582 -4.999 164 HD23 LEU 41 HD23 LEU 41 -12.991 5.210 -4.115 165 H GLN 42 H GLN 42 -13.154 10.420 -7.736 166 HA GLN 42 HA GLN 42 -12.902 12.871 -6.475 167 HB2 GLN 42 HB2 GLN 42 -12.413 12.148 -8.933 168 HB3 GLN 42 HB3 GLN 42 -14.059 12.688 -9.236 169 HG2 GLN 42 HG2 GLN 42 -12.600 14.654 -7.723 170 HG3 GLN 42 HG3 GLN 42 -11.745 14.235 -9.206 171 HE21 GLN 42 HE21 GLN 42 -12.137 15.841 -10.567 172 HE22 GLN 42 HE22 GLN 42 -13.697 16.461 -10.971 173 H GLN 43 H GLN 43 -15.760 11.112 -7.305 174 HA GLN 43 HA GLN 43 -17.609 13.243 -7.336 175 HB2 GLN 43 HB2 GLN 43 -19.314 11.498 -6.953 176 HB3 GLN 43 HB3 GLN 43 -18.190 11.065 -8.235 177 HG2 GLN 43 HG2 GLN 43 -17.145 10.052 -5.812 178 HG3 GLN 43 HG3 GLN 43 -18.854 9.627 -5.877 179 HE21 GLN 43 HE21 GLN 43 -16.561 7.883 -6.055 180 HE22 GLN 43 HE22 GLN 43 -16.666 7.079 -7.580 181 H TYR 44 H TYR 44 -16.201 11.347 -4.749 182 HA TYR 44 HA TYR 44 -17.981 12.443 -2.748 183 HB2 TYR 44 HB2 TYR 44 -16.126 10.247 -2.916 184 HB3 TYR 44 HB3 TYR 44 -15.775 11.217 -1.490 185 HD1 TYR 44 HD1 TYR 44 -18.421 12.105 -0.637 186 HD2 TYR 44 HD2 TYR 44 -17.188 8.327 -2.158 187 HE1 TYR 44 HE1 TYR 44 -20.278 11.024 0.559 188 HE2 TYR 44 HE2 TYR 44 -19.043 7.236 -0.967 189 HH TYR 44 HH TYR 44 -20.919 7.560 0.210 190 H GLU 45 H GLU 45 -15.562 13.768 -4.426 191 HA GLU 45 HA GLU 45 -13.729 14.843 -2.674 192 HB2 GLU 45 HB2 GLU 45 -13.457 15.206 -5.017 193 HB3 GLU 45 HB3 GLU 45 -15.003 16.035 -5.135 194 HG2 GLU 45 HG2 GLU 45 -13.293 17.354 -3.236 195 HG3 GLU 45 HG3 GLU 45 -12.484 17.177 -4.793 196 H SER 46 H SER 46 -16.944 16.106 -3.497 197 HA SER 46 HA SER 46 -16.928 18.469 -2.091 198 HB2 SER 46 HB2 SER 46 -18.837 18.064 -3.401 199 HB3 SER 46 HB3 SER 46 -19.128 16.493 -2.654 200 HG SER 46 HG SER 46 -20.542 18.231 -1.947 201 H LYS 47 H LYS 47 -17.529 15.209 -0.870 202 HA LYS 47 HA LYS 47 -18.215 15.985 1.767 203 HB2 LYS 47 HB2 LYS 47 -17.416 13.436 0.437 204 HB3 LYS 47 HB3 LYS 47 -17.373 13.508 2.194 205 HG2 LYS 47 HG2 LYS 47 -19.480 12.604 1.459 206 HG3 LYS 47 HG3 LYS 47 -19.737 14.184 2.205 207 HD2 LYS 47 HD2 LYS 47 -20.049 15.226 0.101 208 HD3 LYS 47 HD3 LYS 47 -19.443 13.816 -0.768 209 HE2 LYS 47 HE2 LYS 47 -21.459 12.633 0.461 210 HE3 LYS 47 HE3 LYS 47 -22.093 14.278 0.505 211 HZ1 LYS 47 HZ1 LYS 47 -22.608 12.742 -1.501 212 HZ2 LYS 47 HZ2 LYS 47 -21.066 13.196 -2.027 213 HZ3 LYS 47 HZ3 LYS 47 -22.251 14.374 -1.768 214 H LEU 48 H LEU 48 -15.165 15.063 0.236 215 HA LEU 48 HA LEU 48 -13.669 15.240 2.683 216 HB2 LEU 48 HB2 LEU 48 -13.242 13.974 0.345 217 HB3 LEU 48 HB3 LEU 48 -12.257 15.414 0.096 218 HG LEU 48 HG LEU 48 -11.845 14.011 2.658 219 HD11 LEU 48 HD11 LEU 48 -10.968 12.796 0.042 220 HD12 LEU 48 HD12 LEU 48 -12.133 12.106 1.172 221 HD13 LEU 48 HD13 LEU 48 -10.444 12.283 1.647 222 HD21 LEU 48 HD21 LEU 48 -9.499 14.495 2.094 223 HD22 LEU 48 HD22 LEU 48 -10.512 15.938 2.039 224 HD23 LEU 48 HD23 LEU 48 -10.022 15.147 0.540 225 H LEU 49 H LEU 49 -14.996 17.521 0.687 226 HA LEU 49 HA LEU 49 -12.860 19.480 1.160 227 HB2 LEU 49 HB2 LEU 49 -13.535 19.371 -1.129 228 HB3 LEU 49 HB3 LEU 49 -15.237 19.494 -0.688 229 HG LEU 49 HG LEU 49 -14.913 21.806 -0.004 230 HD11 LEU 49 HD11 LEU 49 -12.643 21.709 0.799 231 HD12 LEU 49 HD12 LEU 49 -12.763 22.931 -0.467 232 HD13 LEU 49 HD13 LEU 49 -12.047 21.360 -0.823 233 HD21 LEU 49 HD21 LEU 49 -14.192 22.713 -2.280 234 HD22 LEU 49 HD22 LEU 49 -15.571 21.614 -2.243 235 HD23 LEU 49 HD23 LEU 49 -13.987 21.025 -2.751 236 H LEU 50 H LEU 50 -16.297 18.881 1.688 237 HA LEU 50 HA LEU 50 -16.795 21.362 3.003 238 HB2 LEU 50 HB2 LEU 50 -18.316 19.208 2.061 239 HB3 LEU 50 HB3 LEU 50 -18.604 19.267 3.799 240 HG LEU 50 HG LEU 50 -19.129 21.448 1.785 241 HD11 LEU 50 HD11 LEU 50 -20.941 19.829 3.569 242 HD12 LEU 50 HD12 LEU 50 -20.811 19.709 1.815 243 HD13 LEU 50 HD13 LEU 50 -21.449 21.178 2.552 244 HD21 LEU 50 HD21 LEU 50 -19.200 21.490 4.792 245 HD22 LEU 50 HD22 LEU 50 -20.085 22.645 3.794 246 HD23 LEU 50 HD23 LEU 50 -18.325 22.569 3.705 247 H ASN 51 H ASN 51 -15.364 18.412 3.959 248 HA ASN 51 HA ASN 51 -15.838 18.914 6.800 249 HB2 ASN 51 HB2 ASN 51 -14.769 16.584 5.236 250 HB3 ASN 51 HB3 ASN 51 -14.452 16.711 6.964 251 HD21 ASN 51 HD21 ASN 51 -17.052 16.717 4.579 252 HD22 ASN 51 HD22 ASN 51 -18.239 15.998 5.609 253 H GLY 52 H GLY 52 -14.038 20.510 4.947 254 HA2 GLY 52 HA2 GLY 52 -11.965 21.503 5.005 255 HA3 GLY 52 HA3 GLY 52 -12.085 21.261 6.742 256 H PHE 53 H PHE 53 -11.991 18.642 4.413 257 HA PHE 53 HA PHE 53 -9.397 17.838 5.544 258 HB2 PHE 53 HB2 PHE 53 -11.755 16.410 5.381 259 HB3 PHE 53 HB3 PHE 53 -10.836 15.808 4.005 260 HD1 PHE 53 HD1 PHE 53 -8.092 15.898 5.017 261 HD2 PHE 53 HD2 PHE 53 -11.693 14.710 6.948 262 HE1 PHE 53 HE1 PHE 53 -6.801 14.436 6.516 263 HE2 PHE 53 HE2 PHE 53 -10.408 13.247 8.452 264 HZ PHE 53 HZ PHE 53 -7.958 13.109 8.238 265 H ASP 54 H ASP 54 -10.397 19.490 3.026 266 HA ASP 54 HA ASP 54 -9.398 18.145 0.760 267 HB2 ASP 54 HB2 ASP 54 -9.732 20.135 -0.403 268 HB3 ASP 54 HB3 ASP 54 -10.880 20.276 0.926 269 H ASP 55 H ASP 55 -7.819 19.639 3.385 270 HA ASP 55 HA ASP 55 -5.472 20.606 2.270 271 HB2 ASP 55 HB2 ASP 55 -5.891 19.215 4.922 272 HB3 ASP 55 HB3 ASP 55 -4.432 20.099 4.483 273 H VAL 56 H VAL 56 -4.479 19.467 0.692 274 HA VAL 56 HA VAL 56 -4.193 16.662 0.638 275 HB VAL 56 HB VAL 56 -2.553 18.767 -0.781 276 HG11 VAL 56 HG11 VAL 56 -1.341 16.700 -0.775 277 HG12 VAL 56 HG12 VAL 56 -2.785 15.795 -1.231 278 HG13 VAL 56 HG13 VAL 56 -2.050 16.919 -2.374 279 HG21 VAL 56 HG21 VAL 56 -4.379 17.317 -2.446 280 HG22 VAL 56 HG22 VAL 56 -5.250 18.029 -1.088 281 HG23 VAL 56 HG23 VAL 56 -4.281 19.053 -2.148 282 H HIS 57 H HIS 57 -2.462 19.119 2.298 283 HA HIS 57 HA HIS 57 -0.105 17.459 2.703 284 HB2 HIS 57 HB2 HIS 57 0.830 19.371 3.862 285 HB3 HIS 57 HB3 HIS 57 0.133 19.902 2.335 286 HD1 HIS 57 HD1 HIS 57 -0.614 19.919 6.043 287 HD2 HIS 57 HD2 HIS 57 -1.782 21.848 2.554 288 HE1 HIS 57 HE1 HIS 57 -2.091 21.814 6.785 289 H PHE 58 H PHE 58 -2.988 17.099 3.842 290 HA PHE 58 HA PHE 58 -2.108 16.591 6.608 291 HB2 PHE 58 HB2 PHE 58 -4.240 18.236 5.731 292 HB3 PHE 58 HB3 PHE 58 -4.963 16.804 6.456 293 HD1 PHE 58 HD2 PHE 58 -3.416 16.096 8.678 294 HD2 PHE 58 HD1 PHE 58 -4.194 20.003 7.179 295 HE1 PHE 58 HE2 PHE 58 -3.019 17.031 10.918 296 HE2 PHE 58 HE1 PHE 58 -3.799 20.944 9.417 297 HZ PHE 58 HZ PHE 58 -3.211 19.457 11.291 298 H LEU 59 H LEU 59 -2.964 15.200 3.756 299 HA LEU 59 HA LEU 59 -4.695 13.115 4.562 300 HB2 LEU 59 HB2 LEU 59 -2.689 12.957 2.328 301 HB3 LEU 59 HB3 LEU 59 -4.225 12.104 2.470 302 HG LEU 59 HG LEU 59 -4.008 15.091 2.129 303 HD11 LEU 59 HD11 LEU 59 -4.096 12.885 0.113 304 HD12 LEU 59 HD12 LEU 59 -3.110 14.345 0.131 305 HD13 LEU 59 HD13 LEU 59 -4.831 14.449 -0.239 306 HD21 LEU 59 HD21 LEU 59 -6.111 14.617 3.002 307 HD22 LEU 59 HD22 LEU 59 -6.248 13.099 2.114 308 HD23 LEU 59 HD23 LEU 59 -6.390 14.637 1.260 309 H GLY 60 H GLY 60 -1.164 13.324 4.276 310 HA2 GLY 60 HA2 GLY 60 -0.877 10.627 5.352 311 HA3 GLY 60 HA3 GLY 60 0.418 11.651 4.752 312 H SER 61 H SER 61 -1.788 13.140 6.905 313 HA SER 61 HA SER 61 0.073 12.740 9.151 314 HB2 SER 61 HB2 SER 61 -0.108 15.089 7.779 315 HB3 SER 61 HB3 SER 61 -1.302 15.348 9.049 316 HG SER 61 HG SER 61 1.438 15.199 9.207 317 H ASN 62 H ASN 62 -3.151 14.024 8.331 318 HA ASN 62 HA ASN 62 -4.311 13.907 10.830 319 HB2 ASN 62 HB2 ASN 62 -5.218 14.663 8.442 320 HB3 ASN 62 HB3 ASN 62 -5.978 13.075 8.502 321 HD21 ASN 62 HD21 ASN 62 -5.877 16.261 9.841 322 HD22 ASN 62 HD22 ASN 62 -7.313 16.132 10.794 323 H VAL 63 H VAL 63 -5.844 12.375 11.741 324 HA VAL 63 HA VAL 63 -4.830 9.839 12.114 325 HB VAL 63 HB VAL 63 -6.442 10.705 13.659 326 HG11 VAL 63 HG11 VAL 63 -8.551 10.487 11.521 327 HG12 VAL 63 HG12 VAL 63 -8.718 11.173 13.138 328 HG13 VAL 63 HG13 VAL 63 -7.727 11.991 11.930 329 HG21 VAL 63 HG21 VAL 63 -6.339 8.271 13.445 330 HG22 VAL 63 HG22 VAL 63 -7.961 8.807 13.885 331 HG23 VAL 63 HG23 VAL 63 -7.612 8.323 12.225 332 H MET 64 H MET 64 -7.376 10.863 9.860 333 HA MET 64 HA MET 64 -8.411 9.779 8.136 334 HB2 MET 64 HB2 MET 64 -5.518 9.052 7.891 335 HB3 MET 64 HB3 MET 64 -6.681 8.340 6.781 336 HG2 MET 64 HG2 MET 64 -6.988 11.218 7.051 337 HG3 MET 64 HG3 MET 64 -5.396 10.743 6.464 338 HE1 MET 64 HE1 MET 64 -9.267 9.860 5.880 339 HE2 MET 64 HE2 MET 64 -8.908 11.569 5.627 340 HE3 MET 64 HE3 MET 64 -9.370 10.553 4.261 341 H GLU 65 H GLU 65 -9.215 8.540 10.295 342 HA GLU 65 HA GLU 65 -8.635 5.686 10.070 343 HB2 GLU 65 HB2 GLU 65 -9.392 7.432 12.205 344 HB3 GLU 65 HB3 GLU 65 -10.617 6.182 12.041 345 HG2 GLU 65 HG2 GLU 65 -8.535 4.594 11.956 346 HG3 GLU 65 HG3 GLU 65 -7.745 5.942 12.774 347 H GLU 66 H GLU 66 -10.726 4.295 10.532 348 HA GLU 66 HA GLU 66 -12.291 4.377 8.223 349 HB2 GLU 66 HB2 GLU 66 -13.753 2.733 9.407 350 HB3 GLU 66 HB3 GLU 66 -12.046 2.317 9.426 351 HG2 GLU 66 HG2 GLU 66 -11.914 3.311 11.714 352 HG3 GLU 66 HG3 GLU 66 -13.669 3.476 11.676 353 H GLN 67 H GLN 67 -13.039 5.462 11.518 354 HA GLN 67 HA GLN 67 -15.684 6.278 10.986 355 HB2 GLN 67 HB2 GLN 67 -14.278 5.986 13.241 356 HB3 GLN 67 HB3 GLN 67 -14.109 7.726 13.048 357 HG2 GLN 67 HG2 GLN 67 -15.993 7.643 14.317 358 HG3 GLN 67 HG3 GLN 67 -16.707 7.618 12.706 359 HE21 GLN 67 HE21 GLN 67 -18.140 6.092 12.318 360 HE22 GLN 67 HE22 GLN 67 -18.324 4.620 13.203 361 H ASP 68 H ASP 68 -12.611 8.042 10.965 362 HA ASP 68 HA ASP 68 -13.523 10.612 10.552 363 HB2 ASP 68 HB2 ASP 68 -11.036 9.212 10.275 364 HB3 ASP 68 HB3 ASP 68 -11.246 10.287 8.896 365 H LEU 69 H LEU 69 -13.018 8.046 8.169 366 HA LEU 69 HA LEU 69 -13.659 9.654 5.911 367 HB2 LEU 69 HB2 LEU 69 -13.920 6.665 6.070 368 HB3 LEU 69 HB3 LEU 69 -13.595 7.655 4.649 369 HG LEU 69 HG LEU 69 -11.556 7.858 6.746 370 HD11 LEU 69 HD11 LEU 69 -12.514 5.348 6.501 371 HD12 LEU 69 HD12 LEU 69 -10.832 5.731 6.867 372 HD13 LEU 69 HD13 LEU 69 -11.311 5.360 5.211 373 HD21 LEU 69 HD21 LEU 69 -10.266 8.351 4.989 374 HD22 LEU 69 HD22 LEU 69 -11.772 8.435 4.076 375 HD23 LEU 69 HD23 LEU 69 -10.821 6.950 4.073 376 H ARG 70 H ARG 70 -15.518 7.720 8.148 377 HA ARG 70 HA ARG 70 -17.906 7.674 6.574 378 HB2 ARG 70 HB2 ARG 70 -17.349 6.003 8.353 379 HB3 ARG 70 HB3 ARG 70 -17.624 7.259 9.553 380 HG2 ARG 70 HG2 ARG 70 -19.846 7.053 9.431 381 HG3 ARG 70 HG3 ARG 70 -19.833 6.914 7.671 382 HD2 ARG 70 HD2 ARG 70 -18.756 4.552 8.283 383 HD3 ARG 70 HD3 ARG 70 -19.696 4.809 9.751 384 HE ARG 70 HE ARG 70 -21.300 5.306 7.486 385 HH11 ARG 70 HH11 ARG 70 -19.814 2.695 9.244 386 HH12 ARG 70 HH12 ARG 70 -21.002 1.526 8.771 387 HH21 ARG 70 HH21 ARG 70 -22.871 3.776 6.856 388 HH22 ARG 70 HH22 ARG 70 -22.740 2.143 7.411 389 H ASP 71 H ASP 71 -16.655 9.694 9.178 390 HA ASP 71 HA ASP 71 -18.982 11.182 9.679 391 HB2 ASP 71 HB2 ASP 71 -17.164 11.290 11.239 392 HB3 ASP 71 HB3 ASP 71 -16.062 11.884 10.000 393 H ILE 72 H ILE 72 -16.436 11.550 7.282 394 HA ILE 72 HA ILE 72 -17.401 14.092 6.342 395 HB ILE 72 HB ILE 72 -15.758 13.840 4.541 396 HG12 ILE 72 HG12 ILE 72 -15.040 11.180 5.781 397 HG13 ILE 72 HG13 ILE 72 -16.072 11.330 4.363 398 HG21 ILE 72 HG21 ILE 72 -14.001 14.362 5.869 399 HG22 ILE 72 HG22 ILE 72 -15.246 14.348 7.116 400 HG23 ILE 72 HG23 ILE 72 -14.209 12.940 6.892 401 HD11 ILE 72 HD11 ILE 72 -13.417 12.653 4.311 402 HD12 ILE 72 HD12 ILE 72 -13.492 10.898 4.151 403 HD13 ILE 72 HD13 ILE 72 -14.347 11.926 3.002 404 H GLY 73 H GLY 73 -18.028 10.760 5.657 405 HA2 GLY 73 HA2 GLY 73 -20.342 10.724 4.477 406 HA3 GLY 73 HA3 GLY 73 -19.425 11.455 3.168 407 H ILE 74 H ILE 74 -17.044 9.983 3.423 408 HA ILE 74 HA ILE 74 -17.647 7.717 1.888 409 HB ILE 74 HB ILE 74 -15.124 8.177 3.482 410 HG12 ILE 74 HG12 ILE 74 -15.842 9.083 0.684 411 HG13 ILE 74 HG13 ILE 74 -15.642 10.127 2.088 412 HG21 ILE 74 HG21 ILE 74 -14.751 6.917 0.940 413 HG22 ILE 74 HG22 ILE 74 -14.356 6.316 2.549 414 HG23 ILE 74 HG23 ILE 74 -15.958 6.028 1.869 415 HD11 ILE 74 HD11 ILE 74 -13.258 8.923 2.101 416 HD12 ILE 74 HD12 ILE 74 -13.621 8.840 0.376 417 HD13 ILE 74 HD13 ILE 74 -13.595 10.400 1.199 418 H SER 75 H SER 75 -18.921 6.158 2.709 419 HA SER 75 HA SER 75 -18.134 4.971 5.290 420 HB2 SER 75 HB2 SER 75 -20.559 4.121 5.299 421 HB3 SER 75 HB3 SER 75 -20.307 5.839 5.607 422 HG SER 75 HG SER 75 -20.840 6.241 3.434 423 H ASP 76 H ASP 76 -18.528 4.471 1.943 424 HA ASP 76 HA ASP 76 -19.027 1.689 1.903 425 HB2 ASP 76 HB2 ASP 76 -18.280 3.763 -0.023 426 HB3 ASP 76 HB3 ASP 76 -17.588 2.186 -0.398 427 HA PRO 77 HA PRO 77 -15.164 -0.072 3.019 428 HB2 PRO 77 HB2 PRO 77 -15.214 -2.354 1.548 429 HB3 PRO 77 HB3 PRO 77 -16.228 -2.108 2.975 430 HG2 PRO 77 HG2 PRO 77 -16.933 -1.825 0.080 431 HG3 PRO 77 HG3 PRO 77 -17.865 -2.572 1.391 432 HD2 PRO 77 HD2 PRO 77 -18.378 -0.075 0.477 433 HD3 PRO 77 HD3 PRO 77 -18.632 -0.543 2.171 434 H GLN 78 H GLN 78 -15.843 -0.240 -0.478 435 HA GLN 78 HA GLN 78 -13.082 -0.357 -1.198 436 HB2 GLN 78 HB2 GLN 78 -15.452 0.360 -2.931 437 HB3 GLN 78 HB3 GLN 78 -13.863 -0.148 -3.490 438 HG2 GLN 78 HG2 GLN 78 -14.297 -2.306 -2.196 439 HG3 GLN 78 HG3 GLN 78 -15.977 -1.776 -2.128 440 HE21 GLN 78 HE21 GLN 78 -15.011 -4.120 -3.402 441 HE22 GLN 78 HE22 GLN 78 -15.354 -3.977 -5.090 442 H HIS 79 H HIS 79 -15.027 2.135 -0.116 443 HA HIS 79 HA HIS 79 -13.476 4.184 -1.542 444 HB2 HIS 79 HB2 HIS 79 -16.068 4.377 0.004 445 HB3 HIS 79 HB3 HIS 79 -15.217 5.764 -0.670 446 HD1 HIS 79 HD1 HIS 79 -17.728 5.849 -1.879 447 HD2 HIS 79 HD2 HIS 79 -14.994 3.019 -3.215 448 HE1 HIS 79 HE1 HIS 79 -18.528 5.166 -4.163 449 H ARG 80 H ARG 80 -13.913 2.682 1.506 450 HA ARG 80 HA ARG 80 -12.738 4.865 3.014 451 HB2 ARG 80 HB2 ARG 80 -14.148 2.377 3.625 452 HB3 ARG 80 HB3 ARG 80 -12.779 2.673 4.688 453 HG2 ARG 80 HG2 ARG 80 -13.786 5.033 4.954 454 HG3 ARG 80 HG3 ARG 80 -15.256 4.301 4.310 455 HD2 ARG 80 HD2 ARG 80 -13.793 3.019 6.584 456 HD3 ARG 80 HD3 ARG 80 -14.881 4.375 6.876 457 HE ARG 80 HE ARG 80 -16.688 3.025 6.323 458 HH11 ARG 80 HH11 ARG 80 -13.677 1.360 5.794 459 HH12 ARG 80 HH12 ARG 80 -14.417 -0.198 5.628 460 HH21 ARG 80 HH21 ARG 80 -17.674 0.980 6.105 461 HH22 ARG 80 HH22 ARG 80 -16.690 -0.413 5.804 462 H ARG 81 H ARG 81 -11.858 1.604 1.951 463 HA ARG 81 HA ARG 81 -9.283 1.641 3.180 464 HB2 ARG 81 HB2 ARG 81 -10.895 -0.234 1.762 465 HB3 ARG 81 HB3 ARG 81 -9.324 -0.163 0.974 466 HG2 ARG 81 HG2 ARG 81 -9.794 -0.684 3.903 467 HG3 ARG 81 HG3 ARG 81 -9.406 -1.900 2.685 468 HD2 ARG 81 HD2 ARG 81 -7.420 -0.031 2.342 469 HD3 ARG 81 HD3 ARG 81 -7.666 -0.027 4.088 470 HE ARG 81 HE ARG 81 -7.499 -2.682 3.161 471 HH11 ARG 81 HH11 ARG 81 -5.521 0.134 3.682 472 HH12 ARG 81 HH12 ARG 81 -4.069 -0.772 3.946 473 HH21 ARG 81 HH21 ARG 81 -5.594 -3.889 3.508 474 HH22 ARG 81 HH22 ARG 81 -4.112 -3.061 3.846 475 H LYS 82 H LYS 82 -10.532 2.477 0.005 476 HA LYS 82 HA LYS 82 -8.029 2.736 -1.295 477 HB2 LYS 82 HB2 LYS 82 -10.538 2.680 -2.196 478 HB3 LYS 82 HB3 LYS 82 -10.330 4.427 -2.140 479 HG2 LYS 82 HG2 LYS 82 -9.047 4.438 -3.958 480 HG3 LYS 82 HG3 LYS 82 -8.087 3.068 -3.394 481 HD2 LYS 82 HD2 LYS 82 -10.853 2.496 -4.291 482 HD3 LYS 82 HD3 LYS 82 -9.681 2.937 -5.536 483 HE2 LYS 82 HE2 LYS 82 -8.240 1.154 -4.104 484 HE3 LYS 82 HE3 LYS 82 -9.866 0.511 -3.874 485 HZ1 LYS 82 HZ1 LYS 82 -10.094 0.046 -6.083 486 HZ2 LYS 82 HZ2 LYS 82 -8.429 -0.194 -5.916 487 HZ3 LYS 82 HZ3 LYS 82 -9.013 1.248 -6.582 488 H LEU 83 H LEU 83 -10.110 5.029 0.416 489 HA LEU 83 HA LEU 83 -8.471 7.299 -0.131 490 HB2 LEU 83 HB2 LEU 83 -11.000 6.903 0.856 491 HB3 LEU 83 HB3 LEU 83 -10.111 7.433 2.282 492 HG LEU 83 HG LEU 83 -11.250 9.283 1.132 493 HD11 LEU 83 HD11 LEU 83 -9.295 10.781 0.974 494 HD12 LEU 83 HD12 LEU 83 -8.238 9.372 1.052 495 HD13 LEU 83 HD13 LEU 83 -9.273 9.774 2.422 496 HD21 LEU 83 HD21 LEU 83 -9.472 9.591 -1.086 497 HD22 LEU 83 HD22 LEU 83 -11.233 9.489 -1.077 498 HD23 LEU 83 HD23 LEU 83 -10.264 8.018 -1.183 499 H LEU 84 H LEU 84 -8.296 4.721 2.106 500 HA LEU 84 HA LEU 84 -6.593 6.193 3.960 501 HB2 LEU 84 HB2 LEU 84 -8.211 3.800 4.062 502 HB3 LEU 84 HB3 LEU 84 -6.587 3.501 4.676 503 HG LEU 84 HG LEU 84 -6.848 5.070 6.417 504 HD11 LEU 84 HD11 LEU 84 -7.823 6.929 5.355 505 HD12 LEU 84 HD12 LEU 84 -8.985 6.426 6.581 506 HD13 LEU 84 HD13 LEU 84 -9.257 6.014 4.888 507 HD21 LEU 84 HD21 LEU 84 -7.974 2.978 6.857 508 HD22 LEU 84 HD22 LEU 84 -9.436 3.561 6.059 509 HD23 LEU 84 HD23 LEU 84 -8.894 4.306 7.565 510 H GLN 85 H GLN 85 -6.387 3.862 1.386 511 HA GLN 85 HA GLN 85 -3.674 3.093 1.960 512 HB2 GLN 85 HB2 GLN 85 -5.602 1.839 0.626 513 HB3 GLN 85 HB3 GLN 85 -4.872 2.679 -0.737 514 HG2 GLN 85 HG2 GLN 85 -2.655 1.697 0.145 515 HG3 GLN 85 HG3 GLN 85 -3.692 0.588 1.042 516 HE21 GLN 85 HE21 GLN 85 -2.716 1.663 -2.135 517 HE22 GLN 85 HE22 GLN 85 -3.269 0.268 -2.991 518 H ALA 86 H ALA 86 -5.302 5.317 -0.236 519 HA ALA 86 HA ALA 86 -2.915 6.051 -1.640 520 HB1 ALA 86 HB1 ALA 86 -5.490 6.253 -2.283 521 HB2 ALA 86 HB2 ALA 86 -5.248 7.875 -1.632 522 HB3 ALA 86 HB3 ALA 86 -4.255 7.307 -2.974 523 H ALA 87 H ALA 87 -4.377 6.980 1.321 524 HA ALA 87 HA ALA 87 -3.072 9.565 1.446 525 HB1 ALA 87 HB1 ALA 87 -4.049 9.660 3.728 526 HB2 ALA 87 HB2 ALA 87 -5.242 9.392 2.455 527 HB3 ALA 87 HB3 ALA 87 -4.714 8.046 3.466 528 H ARG 88 H ARG 88 -2.793 6.409 3.048 529 HA ARG 88 HA ARG 88 -0.611 7.154 4.706 530 HB2 ARG 88 HB2 ARG 88 -2.215 4.815 4.244 531 HB3 ARG 88 HB3 ARG 88 -0.515 4.365 4.259 532 HG2 ARG 88 HG2 ARG 88 -0.560 4.390 6.468 533 HG3 ARG 88 HG3 ARG 88 -0.902 6.121 6.423 534 HD2 ARG 88 HD2 ARG 88 -3.103 5.832 6.853 535 HD3 ARG 88 HD3 ARG 88 -3.196 4.337 5.922 536 HE ARG 88 HE ARG 88 -2.719 4.591 8.735 537 HH11 ARG 88 HH11 ARG 88 -2.179 2.598 5.932 538 HH12 ARG 88 HH12 ARG 88 -1.992 1.138 6.845 539 HH21 ARG 88 HH21 ARG 88 -2.474 2.675 9.948 540 HH22 ARG 88 HH22 ARG 88 -2.161 1.182 9.130 541 H SER 89 H SER 89 -0.877 6.110 1.420 542 HA SER 89 HA SER 89 2.063 6.009 1.236 543 HB2 SER 89 HB2 SER 89 0.020 4.401 -0.310 544 HB3 SER 89 HB3 SER 89 1.736 4.456 -0.706 545 HG SER 89 HG SER 89 1.673 2.768 0.609 546 H LEU 90 H LEU 90 1.018 8.437 1.036 547 HA LEU 90 HA LEU 90 0.031 9.262 -1.448 548 HB2 LEU 90 HB2 LEU 90 1.458 10.602 0.797 549 HB3 LEU 90 HB3 LEU 90 1.261 11.474 -0.722 550 HG LEU 90 HG LEU 90 -1.220 10.297 0.287 551 HD11 LEU 90 HD11 LEU 90 -1.465 11.378 2.263 552 HD12 LEU 90 HD12 LEU 90 -0.388 12.697 1.806 553 HD13 LEU 90 HD13 LEU 90 0.282 11.148 2.318 554 HD21 LEU 90 HD21 LEU 90 -1.674 12.926 -0.008 555 HD22 LEU 90 HD22 LEU 90 -1.681 11.783 -1.351 556 HD23 LEU 90 HD23 LEU 90 -0.245 12.754 -1.027 557 HA PRO 91 HA PRO 91 3.426 9.222 -4.225 558 HB2 PRO 91 HB2 PRO 91 3.070 11.528 -5.613 559 HB3 PRO 91 HB3 PRO 91 2.021 10.118 -5.806 560 HG2 PRO 91 HG2 PRO 91 1.579 12.601 -4.194 561 HG3 PRO 91 HG3 PRO 91 0.440 11.724 -5.233 562 HD2 PRO 91 HD2 PRO 91 0.446 11.471 -2.537 563 HD3 PRO 91 HD3 PRO 91 -0.003 10.138 -3.620 564 H LYS 92 H LYS 92 3.099 11.807 -1.975 565 HA LYS 92 HA LYS 92 5.938 12.498 -2.357 566 HB2 LYS 92 HB2 LYS 92 5.192 14.731 -1.249 567 HB3 LYS 92 HB3 LYS 92 4.881 14.474 -2.961 568 HG2 LYS 92 HG2 LYS 92 2.940 15.444 -1.947 569 HG3 LYS 92 HG3 LYS 92 2.576 13.776 -2.396 570 HD2 LYS 92 HD2 LYS 92 2.768 13.043 -0.140 571 HD3 LYS 92 HD3 LYS 92 3.451 14.588 0.370 572 HE2 LYS 92 HE2 LYS 92 0.770 14.612 -0.903 573 HE3 LYS 92 HE3 LYS 92 0.892 13.975 0.736 574 HZ1 LYS 92 HZ1 LYS 92 1.848 16.030 1.472 575 HZ2 LYS 92 HZ2 LYS 92 0.406 16.372 0.658 576 HZ3 LYS 92 HZ3 LYS 92 1.891 16.641 -0.106 577 H VAL 93 H VAL 93 5.102 10.389 -0.722 578 HA VAL 93 HA VAL 93 5.016 11.338 2.013 579 HB VAL 93 HB VAL 93 3.740 9.334 1.360 580 HG11 VAL 93 HG11 VAL 93 6.433 8.023 1.001 581 HG12 VAL 93 HG12 VAL 93 4.854 7.251 0.845 582 HG13 VAL 93 HG13 VAL 93 5.349 8.488 -0.310 583 HG21 VAL 93 HG21 VAL 93 3.955 8.474 3.420 584 HG22 VAL 93 HG22 VAL 93 5.668 8.115 3.196 585 HG23 VAL 93 HG23 VAL 93 5.161 9.740 3.657 586 H LYS 94 H LYS 94 6.631 11.177 3.523 587 HA LYS 94 HA LYS 94 9.318 11.195 2.532 588 HB2 LYS 94 HB2 LYS 94 9.955 11.636 4.848 589 HB3 LYS 94 HB3 LYS 94 8.617 12.670 4.362 590 HG2 LYS 94 HG2 LYS 94 7.656 12.029 6.264 591 HG3 LYS 94 HG3 LYS 94 7.328 10.506 5.436 592 HD2 LYS 94 HD2 LYS 94 9.167 9.442 6.421 593 HD3 LYS 94 HD3 LYS 94 9.916 10.971 6.884 594 HE2 LYS 94 HE2 LYS 94 7.728 11.249 8.304 595 HE3 LYS 94 HE3 LYS 94 7.658 9.494 8.156 596 HZ1 LYS 94 HZ1 LYS 94 10.266 10.376 8.876 597 HZ2 LYS 94 HZ2 LYS 94 9.255 9.270 9.660 598 HZ3 LYS 94 HZ3 LYS 94 9.115 10.924 9.987 599 H ALA 95 H ALA 95 7.290 8.915 4.256 600 HA ALA 95 HA ALA 95 9.360 7.117 4.999 601 HB1 ALA 95 HB1 ALA 95 6.393 7.039 4.933 602 HB2 ALA 95 HB2 ALA 95 7.257 5.503 5.021 603 HB3 ALA 95 HB3 ALA 95 7.506 6.728 6.265 604 H LEU 96 H LEU 96 9.043 4.702 4.193 605 HA LEU 96 HA LEU 96 9.922 4.673 1.494 606 HB2 LEU 96 HB2 LEU 96 9.524 2.721 3.654 607 HB3 LEU 96 HB3 LEU 96 9.356 2.070 2.024 608 HG LEU 96 HG LEU 96 11.784 3.533 3.059 609 HD11 LEU 96 HD11 LEU 96 11.738 1.500 4.225 610 HD12 LEU 96 HD12 LEU 96 12.796 1.207 2.846 611 HD13 LEU 96 HD13 LEU 96 11.137 0.611 2.824 612 HD21 LEU 96 HD21 LEU 96 12.480 3.604 0.954 613 HD22 LEU 96 HD22 LEU 96 10.911 2.989 0.435 614 HD23 LEU 96 HD23 LEU 96 12.228 1.866 0.779 615 H GLY 97 H GLY 97 8.408 5.356 0.044 616 HA2 GLY 97 HA2 GLY 97 6.090 3.579 -0.301 617 HA3 GLY 97 HA3 GLY 97 5.836 5.318 -0.254 618 H TYR 98 H TYR 98 4.988 5.318 -2.359 619 HA TYR 98 HA TYR 98 7.032 5.418 -4.421 620 HB2 TYR 98 HB2 TYR 98 5.336 3.154 -4.154 621 HB3 TYR 98 HB3 TYR 98 4.808 4.042 -5.579 622 HD1 TYR 98 HD1 TYR 98 6.520 4.571 -7.371 623 HD2 TYR 98 HD2 TYR 98 7.279 1.830 -4.207 624 HE1 TYR 98 HE1 TYR 98 8.367 3.594 -8.668 625 HE2 TYR 98 HE2 TYR 98 9.131 0.847 -5.494 626 HH TYR 98 HH TYR 98 9.952 0.674 -7.695 627 H ASP 99 H ASP 99 6.439 6.653 -6.233 628 HA ASP 99 HA ASP 99 3.969 8.220 -5.874 629 HB2 ASP 99 HB2 ASP 99 5.077 10.147 -6.720 630 HB3 ASP 99 HB3 ASP 99 6.170 9.437 -5.535 631 H GLY 100 H GLY 100 3.333 9.335 -8.029 632 HA2 GLY 100 HA2 GLY 100 3.624 8.946 -10.521 633 HA3 GLY 100 HA3 GLY 100 3.400 7.251 -10.118 634 H ASN 101 H ASN 101 1.878 10.041 -11.130 635 HA ASN 101 HA ASN 101 -0.749 9.211 -10.130 636 HB2 ASN 101 HB2 ASN 101 0.297 11.761 -11.334 637 HB3 ASN 101 HB3 ASN 101 -1.433 11.439 -11.261 638 HD21 ASN 101 HD21 ASN 101 -2.341 12.432 -9.627 639 HD22 ASN 101 HD22 ASN 101 -1.660 12.653 -8.054 Start of MODEL 13 1 H MET 21 H MET 21 17.973 5.042 2.274 2 HA MET 21 HA MET 21 17.780 4.261 0.111 3 HB2 MET 21 HB2 MET 21 17.047 1.833 1.755 4 HB3 MET 21 HB3 MET 21 17.578 1.793 0.079 5 HG2 MET 21 HG2 MET 21 19.749 2.285 0.605 6 HG3 MET 21 HG3 MET 21 19.311 3.125 2.092 7 HE1 MET 21 HE1 MET 21 21.601 -0.288 2.451 8 HE2 MET 21 HE2 MET 21 20.914 -0.247 0.827 9 HE3 MET 21 HE3 MET 21 21.629 1.210 1.520 10 H ILE 22 H ILE 22 15.318 5.488 1.095 11 HA ILE 22 HA ILE 22 13.188 3.844 -0.006 12 HB ILE 22 HB ILE 22 12.970 6.669 1.028 13 HG12 ILE 22 HG12 ILE 22 11.955 5.083 3.006 14 HG13 ILE 22 HG13 ILE 22 13.312 4.111 2.448 15 HG21 ILE 22 HG21 ILE 22 10.815 6.502 0.529 16 HG22 ILE 22 HG22 ILE 22 11.145 4.954 -0.246 17 HG23 ILE 22 HG23 ILE 22 10.679 5.007 1.454 18 HD11 ILE 22 HD11 ILE 22 13.290 6.505 4.059 19 HD12 ILE 22 HD12 ILE 22 14.577 5.330 3.795 20 HD13 ILE 22 HD13 ILE 22 14.354 6.663 2.662 21 H SER 23 H SER 23 14.891 6.855 -0.733 22 HA SER 23 HA SER 23 15.060 8.098 -2.632 23 HB2 SER 23 HB2 SER 23 14.984 5.402 -3.474 24 HB3 SER 23 HB3 SER 23 13.942 6.297 -4.580 25 HG SER 23 HG SER 23 15.738 7.792 -4.805 26 H GLY 24 H GLY 24 13.665 8.704 -4.731 27 HA2 GLY 24 HA2 GLY 24 11.553 9.243 -5.617 28 HA3 GLY 24 HA3 GLY 24 10.808 8.664 -4.134 29 H LEU 25 H LEU 25 12.257 11.370 -5.754 30 HA LEU 25 HA LEU 25 11.190 13.127 -3.663 31 HB2 LEU 25 HB2 LEU 25 13.950 13.192 -4.845 32 HB3 LEU 25 HB3 LEU 25 13.221 14.609 -4.091 33 HG LEU 25 HG LEU 25 12.921 12.998 -2.049 34 HD11 LEU 25 HD11 LEU 25 13.722 10.951 -2.388 35 HD12 LEU 25 HD12 LEU 25 15.330 11.673 -2.330 36 HD13 LEU 25 HD13 LEU 25 14.528 11.431 -3.882 37 HD21 LEU 25 HD21 LEU 25 15.748 13.634 -2.209 38 HD22 LEU 25 HD22 LEU 25 14.501 14.279 -1.141 39 HD23 LEU 25 HD23 LEU 25 14.727 14.967 -2.751 40 H ARG 26 H ARG 26 9.788 12.612 -5.902 41 HA ARG 26 HA ARG 26 9.784 15.201 -7.212 42 HB2 ARG 26 HB2 ARG 26 10.676 12.734 -8.527 43 HB3 ARG 26 HB3 ARG 26 9.411 13.589 -9.401 44 HG2 ARG 26 HG2 ARG 26 11.037 14.823 -10.275 45 HG3 ARG 26 HG3 ARG 26 11.167 15.593 -8.693 46 HD2 ARG 26 HD2 ARG 26 13.331 14.933 -8.955 47 HD3 ARG 26 HD3 ARG 26 12.682 13.477 -8.200 48 HE ARG 26 HE ARG 26 13.011 12.346 -10.167 49 HH11 ARG 26 HH11 ARG 26 13.279 15.768 -10.746 50 HH12 ARG 26 HH12 ARG 26 13.862 15.581 -12.366 51 HH21 ARG 26 HH21 ARG 26 13.779 12.086 -12.300 52 HH22 ARG 26 HH22 ARG 26 14.144 13.486 -13.249 53 H THR 27 H THR 27 7.760 15.851 -6.945 54 HA THR 27 HA THR 27 5.580 14.044 -7.686 55 HB THR 27 HB THR 27 4.456 15.370 -5.564 56 HG1 THR 27 HG1 THR 27 7.195 14.994 -5.093 57 HG21 THR 27 HG21 THR 27 5.816 12.688 -5.342 58 HG22 THR 27 HG22 THR 27 4.312 12.944 -6.228 59 HG23 THR 27 HG23 THR 27 4.374 13.242 -4.491 60 H LEU 28 H LEU 28 3.636 15.105 -8.285 61 HA LEU 28 HA LEU 28 4.086 17.750 -9.375 62 HB2 LEU 28 HB2 LEU 28 2.008 17.434 -10.543 63 HB3 LEU 28 HB3 LEU 28 3.004 15.990 -10.707 64 HG LEU 28 HG LEU 28 1.115 15.849 -8.482 65 HD11 LEU 28 HD11 LEU 28 -0.782 15.368 -10.143 66 HD12 LEU 28 HD12 LEU 28 0.145 16.354 -11.272 67 HD13 LEU 28 HD13 LEU 28 -0.421 17.050 -9.755 68 HD21 LEU 28 HD21 LEU 28 1.072 13.651 -9.037 69 HD22 LEU 28 HD22 LEU 28 2.587 14.080 -9.832 70 HD23 LEU 28 HD23 LEU 28 1.097 13.971 -10.770 71 H GLU 29 H GLU 29 1.654 18.937 -9.352 72 HA GLU 29 HA GLU 29 1.338 19.611 -6.517 73 HB2 GLU 29 HB2 GLU 29 0.172 21.649 -7.409 74 HB3 GLU 29 HB3 GLU 29 1.867 21.514 -7.859 75 HG2 GLU 29 HG2 GLU 29 1.407 21.203 -10.058 76 HG3 GLU 29 HG3 GLU 29 -0.127 20.397 -9.739 77 H GLN 30 H GLN 30 0.150 17.221 -7.465 78 HA GLN 30 HA GLN 30 -2.504 17.392 -8.246 79 HB2 GLN 30 HB2 GLN 30 -1.465 15.256 -8.232 80 HB3 GLN 30 HB3 GLN 30 -1.064 15.382 -6.524 81 HG2 GLN 30 HG2 GLN 30 -3.366 15.148 -5.904 82 HG3 GLN 30 HG3 GLN 30 -3.870 15.214 -7.591 83 HE21 GLN 30 HE21 GLN 30 -2.409 13.285 -5.106 84 HE22 GLN 30 HE22 GLN 30 -2.483 11.777 -5.945 85 H SER 31 H SER 31 -4.467 17.447 -7.143 86 HA SER 31 HA SER 31 -4.314 18.364 -4.346 87 HB2 SER 31 HB2 SER 31 -5.335 19.745 -6.621 88 HB3 SER 31 HB3 SER 31 -6.696 19.344 -5.576 89 HG SER 31 HG SER 31 -4.534 21.032 -5.122 90 H VAL 32 H VAL 32 -6.892 18.405 -3.624 91 HA VAL 32 HA VAL 32 -7.503 15.755 -3.047 92 HB VAL 32 HB VAL 32 -9.350 18.146 -3.087 93 HG11 VAL 32 HG11 VAL 32 -10.983 16.647 -2.812 94 HG12 VAL 32 HG12 VAL 32 -9.844 15.328 -2.532 95 HG13 VAL 32 HG13 VAL 32 -10.311 16.391 -1.203 96 HG21 VAL 32 HG21 VAL 32 -7.161 17.664 -1.493 97 HG22 VAL 32 HG22 VAL 32 -8.507 18.733 -1.100 98 HG23 VAL 32 HG23 VAL 32 -8.503 17.069 -0.515 99 H GLY 33 H GLY 33 -9.087 17.906 -5.414 100 HA2 GLY 33 HA2 GLY 33 -10.895 16.059 -6.451 101 HA3 GLY 33 HA3 GLY 33 -10.254 17.436 -7.334 102 H GLU 34 H GLU 34 -7.800 17.004 -7.957 103 HA GLU 34 HA GLU 34 -7.793 15.100 -9.966 104 HB2 GLU 34 HB2 GLU 34 -6.192 16.830 -10.102 105 HB3 GLU 34 HB3 GLU 34 -5.553 16.477 -8.503 106 HG2 GLU 34 HG2 GLU 34 -4.042 15.781 -10.304 107 HG3 GLU 34 HG3 GLU 34 -4.562 14.432 -9.295 108 H TRP 35 H TRP 35 -6.383 14.870 -6.711 109 HA TRP 35 HA TRP 35 -5.230 12.364 -6.896 110 HB2 TRP 35 HB2 TRP 35 -4.841 13.709 -4.951 111 HB3 TRP 35 HB3 TRP 35 -6.556 13.726 -4.548 112 HD1 TRP 35 HD1 TRP 35 -4.549 10.551 -5.432 113 HE1 TRP 35 HE1 TRP 35 -4.607 8.973 -3.399 114 HE3 TRP 35 HE3 TRP 35 -6.932 13.608 -2.099 115 HZ2 TRP 35 HZ2 TRP 35 -5.539 9.019 -0.735 116 HZ3 TRP 35 HZ3 TRP 35 -7.369 12.765 0.170 117 HH2 TRP 35 HH2 TRP 35 -6.687 10.518 0.837 118 H LEU 36 H LEU 36 -8.520 13.126 -5.747 119 HA LEU 36 HA LEU 36 -9.325 10.430 -5.486 120 HB2 LEU 36 HB2 LEU 36 -11.001 12.903 -5.896 121 HB3 LEU 36 HB3 LEU 36 -11.604 11.335 -5.364 122 HG LEU 36 HG LEU 36 -9.516 12.776 -3.771 123 HD11 LEU 36 HD11 LEU 36 -11.338 14.379 -4.162 124 HD12 LEU 36 HD12 LEU 36 -11.252 13.862 -2.479 125 HD13 LEU 36 HD13 LEU 36 -12.493 13.199 -3.541 126 HD21 LEU 36 HD21 LEU 36 -9.766 10.973 -2.504 127 HD22 LEU 36 HD22 LEU 36 -11.072 10.379 -3.529 128 HD23 LEU 36 HD23 LEU 36 -11.429 11.468 -2.188 129 H GLU 37 H GLU 37 -9.264 12.648 -8.171 130 HA GLU 37 HA GLU 37 -11.073 11.266 -9.856 131 HB2 GLU 37 HB2 GLU 37 -9.386 13.573 -10.020 132 HB3 GLU 37 HB3 GLU 37 -9.121 12.576 -11.445 133 HG2 GLU 37 HG2 GLU 37 -11.925 12.765 -10.915 134 HG3 GLU 37 HG3 GLU 37 -11.215 14.378 -10.956 135 H SER 38 H SER 38 -7.718 10.823 -9.073 136 HA SER 38 HA SER 38 -7.064 9.185 -11.317 137 HB2 SER 38 HB2 SER 38 -5.498 10.483 -9.659 138 HB3 SER 38 HB3 SER 38 -5.598 9.002 -8.708 139 HG SER 38 HG SER 38 -3.913 8.640 -10.018 140 H ILE 39 H ILE 39 -8.695 8.654 -8.347 141 HA ILE 39 HA ILE 39 -8.413 5.740 -8.627 142 HB ILE 39 HB ILE 39 -9.257 5.564 -6.345 143 HG12 ILE 39 HG12 ILE 39 -9.223 8.588 -6.285 144 HG13 ILE 39 HG13 ILE 39 -10.685 7.623 -6.459 145 HG21 ILE 39 HG21 ILE 39 -6.774 6.338 -7.088 146 HG22 ILE 39 HG22 ILE 39 -7.189 7.615 -5.946 147 HG23 ILE 39 HG23 ILE 39 -7.230 5.928 -5.434 148 HD11 ILE 39 HD11 ILE 39 -10.267 8.430 -4.157 149 HD12 ILE 39 HD12 ILE 39 -10.385 6.674 -4.284 150 HD13 ILE 39 HD13 ILE 39 -8.806 7.443 -4.119 151 H GLY 40 H GLY 40 -10.610 8.356 -8.970 152 HA2 GLY 40 HA2 GLY 40 -12.637 8.144 -10.186 153 HA3 GLY 40 HA3 GLY 40 -12.715 6.454 -9.708 154 H LEU 41 H LEU 41 -11.964 8.822 -7.305 155 HA LEU 41 HA LEU 41 -14.689 8.534 -6.217 156 HB2 LEU 41 HB2 LEU 41 -12.484 7.577 -5.055 157 HB3 LEU 41 HB3 LEU 41 -12.431 9.220 -4.424 158 HG LEU 41 HG LEU 41 -14.773 8.846 -3.566 159 HD11 LEU 41 HD11 LEU 41 -14.844 6.701 -5.164 160 HD12 LEU 41 HD12 LEU 41 -15.825 6.850 -3.706 161 HD13 LEU 41 HD13 LEU 41 -14.321 5.928 -3.667 162 HD21 LEU 41 HD21 LEU 41 -13.942 8.173 -1.572 163 HD22 LEU 41 HD22 LEU 41 -12.403 8.425 -2.395 164 HD23 LEU 41 HD23 LEU 41 -13.079 6.801 -2.265 165 H GLN 42 H GLN 42 -13.178 10.638 -7.933 166 HA GLN 42 HA GLN 42 -12.883 13.003 -6.502 167 HB2 GLN 42 HB2 GLN 42 -12.378 12.434 -8.998 168 HB3 GLN 42 HB3 GLN 42 -14.016 13.010 -9.279 169 HG2 GLN 42 HG2 GLN 42 -12.681 14.905 -7.641 170 HG3 GLN 42 HG3 GLN 42 -11.636 14.512 -9.006 171 HE21 GLN 42 HE21 GLN 42 -15.158 14.736 -8.700 172 HE22 GLN 42 HE22 GLN 42 -15.364 15.919 -9.942 173 H GLN 43 H GLN 43 -15.735 11.287 -7.351 174 HA GLN 43 HA GLN 43 -17.599 13.397 -7.365 175 HB2 GLN 43 HB2 GLN 43 -19.283 11.648 -6.938 176 HB3 GLN 43 HB3 GLN 43 -18.168 11.193 -8.218 177 HG2 GLN 43 HG2 GLN 43 -17.064 10.224 -5.825 178 HG3 GLN 43 HG3 GLN 43 -18.783 9.835 -5.780 179 HE21 GLN 43 HE21 GLN 43 -16.609 7.995 -5.993 180 HE22 GLN 43 HE22 GLN 43 -16.790 7.159 -7.495 181 H TYR 44 H TYR 44 -16.135 11.551 -4.772 182 HA TYR 44 HA TYR 44 -17.892 12.653 -2.758 183 HB2 TYR 44 HB2 TYR 44 -16.021 10.481 -2.928 184 HB3 TYR 44 HB3 TYR 44 -15.622 11.486 -1.539 185 HD1 TYR 44 HD1 TYR 44 -17.482 11.994 0.136 186 HD2 TYR 44 HD2 TYR 44 -17.793 8.953 -2.824 187 HE1 TYR 44 HE1 TYR 44 -19.280 10.928 1.430 188 HE2 TYR 44 HE2 TYR 44 -19.594 7.878 -1.538 189 HH TYR 44 HH TYR 44 -21.399 8.938 0.340 190 H GLU 45 H GLU 45 -15.522 13.989 -4.500 191 HA GLU 45 HA GLU 45 -13.693 15.136 -2.780 192 HB2 GLU 45 HB2 GLU 45 -13.433 15.430 -5.135 193 HB3 GLU 45 HB3 GLU 45 -14.986 16.241 -5.270 194 HG2 GLU 45 HG2 GLU 45 -14.113 18.122 -3.974 195 HG3 GLU 45 HG3 GLU 45 -12.553 17.311 -3.856 196 H SER 46 H SER 46 -16.846 16.479 -3.754 197 HA SER 46 HA SER 46 -16.822 18.808 -2.290 198 HB2 SER 46 HB2 SER 46 -19.326 17.152 -2.468 199 HB3 SER 46 HB3 SER 46 -19.145 18.902 -2.584 200 HG SER 46 HG SER 46 -19.514 17.739 -4.613 201 H LYS 47 H LYS 47 -17.845 15.585 -1.215 202 HA LYS 47 HA LYS 47 -18.593 16.360 1.396 203 HB2 LYS 47 HB2 LYS 47 -18.224 13.858 -0.079 204 HB3 LYS 47 HB3 LYS 47 -17.835 13.721 1.630 205 HG2 LYS 47 HG2 LYS 47 -19.986 13.544 2.096 206 HG3 LYS 47 HG3 LYS 47 -20.260 15.158 1.435 207 HD2 LYS 47 HD2 LYS 47 -20.073 13.668 -0.835 208 HD3 LYS 47 HD3 LYS 47 -20.819 12.517 0.275 209 HE2 LYS 47 HE2 LYS 47 -22.709 13.530 -0.467 210 HE3 LYS 47 HE3 LYS 47 -22.314 14.651 0.835 211 HZ1 LYS 47 HZ1 LYS 47 -22.864 15.666 -1.386 212 HZ2 LYS 47 HZ2 LYS 47 -21.389 15.060 -1.948 213 HZ3 LYS 47 HZ3 LYS 47 -21.413 16.182 -0.683 214 H LEU 48 H LEU 48 -15.545 15.332 -0.017 215 HA LEU 48 HA LEU 48 -14.200 15.201 2.533 216 HB2 LEU 48 HB2 LEU 48 -13.740 14.094 0.075 217 HB3 LEU 48 HB3 LEU 48 -12.542 15.384 0.127 218 HG LEU 48 HG LEU 48 -12.729 13.531 2.451 219 HD11 LEU 48 HD11 LEU 48 -11.346 12.828 -0.134 220 HD12 LEU 48 HD12 LEU 48 -12.798 12.051 0.494 221 HD13 LEU 48 HD13 LEU 48 -11.277 11.917 1.375 222 HD21 LEU 48 HD21 LEU 48 -10.429 14.868 1.026 223 HD22 LEU 48 HD22 LEU 48 -10.327 13.935 2.520 224 HD23 LEU 48 HD23 LEU 48 -11.219 15.457 2.490 225 H LEU 49 H LEU 49 -15.204 17.689 0.600 226 HA LEU 49 HA LEU 49 -12.957 19.427 1.364 227 HB2 LEU 49 HB2 LEU 49 -13.315 19.474 -0.985 228 HB3 LEU 49 HB3 LEU 49 -15.053 19.677 -0.779 229 HG LEU 49 HG LEU 49 -14.720 21.940 0.032 230 HD11 LEU 49 HD11 LEU 49 -12.568 22.978 0.148 231 HD12 LEU 49 HD12 LEU 49 -11.781 21.531 -0.481 232 HD13 LEU 49 HD13 LEU 49 -12.526 21.505 1.117 233 HD21 LEU 49 HD21 LEU 49 -13.492 21.154 -2.580 234 HD22 LEU 49 HD22 LEU 49 -13.517 22.846 -2.081 235 HD23 LEU 49 HD23 LEU 49 -15.031 21.957 -2.262 236 H LEU 50 H LEU 50 -16.433 19.008 1.557 237 HA LEU 50 HA LEU 50 -16.873 21.517 2.899 238 HB2 LEU 50 HB2 LEU 50 -18.470 19.460 1.711 239 HB3 LEU 50 HB3 LEU 50 -19.048 19.780 3.345 240 HG LEU 50 HG LEU 50 -20.171 21.060 1.476 241 HD11 LEU 50 HD11 LEU 50 -19.016 23.090 3.276 242 HD12 LEU 50 HD12 LEU 50 -19.766 21.696 4.052 243 HD13 LEU 50 HD13 LEU 50 -20.701 22.692 2.938 244 HD21 LEU 50 HD21 LEU 50 -17.779 21.525 0.474 245 HD22 LEU 50 HD22 LEU 50 -17.856 22.930 1.537 246 HD23 LEU 50 HD23 LEU 50 -19.088 22.694 0.296 247 H ASN 51 H ASN 51 -15.868 18.396 3.813 248 HA ASN 51 HA ASN 51 -16.730 18.741 6.586 249 HB2 ASN 51 HB2 ASN 51 -15.729 16.444 4.961 250 HB3 ASN 51 HB3 ASN 51 -15.471 16.408 6.702 251 HD21 ASN 51 HD21 ASN 51 -17.571 15.665 4.239 252 HD22 ASN 51 HD22 ASN 51 -19.009 15.434 5.168 253 H GLY 52 H GLY 52 -14.565 20.315 5.183 254 HA2 GLY 52 HA2 GLY 52 -12.453 21.109 5.622 255 HA3 GLY 52 HA3 GLY 52 -12.848 20.738 7.293 256 H PHE 53 H PHE 53 -11.810 19.082 4.312 257 HA PHE 53 HA PHE 53 -9.580 17.892 5.684 258 HB2 PHE 53 HB2 PHE 53 -11.931 16.483 5.867 259 HB3 PHE 53 HB3 PHE 53 -11.179 15.765 4.446 260 HD1 PHE 53 HD1 PHE 53 -8.378 15.725 5.033 261 HD2 PHE 53 HD2 PHE 53 -11.672 15.055 7.645 262 HE1 PHE 53 HE1 PHE 53 -6.943 14.351 6.486 263 HE2 PHE 53 HE2 PHE 53 -10.242 13.682 9.101 264 HZ PHE 53 HZ PHE 53 -7.875 13.329 8.524 265 H ASP 54 H ASP 54 -10.298 19.549 3.293 266 HA ASP 54 HA ASP 54 -9.380 17.854 1.097 267 HB2 ASP 54 HB2 ASP 54 -11.088 20.127 1.292 268 HB3 ASP 54 HB3 ASP 54 -9.715 20.565 0.280 269 H ASP 55 H ASP 55 -7.634 18.676 3.338 270 HA ASP 55 HA ASP 55 -5.726 20.453 2.008 271 HB2 ASP 55 HB2 ASP 55 -6.053 19.477 4.830 272 HB3 ASP 55 HB3 ASP 55 -4.514 20.146 4.292 273 H VAL 56 H VAL 56 -4.513 19.375 0.571 274 HA VAL 56 HA VAL 56 -3.840 16.668 0.645 275 HB VAL 56 HB VAL 56 -2.343 18.929 -0.685 276 HG11 VAL 56 HG11 VAL 56 -1.900 16.721 -2.207 277 HG12 VAL 56 HG12 VAL 56 -0.780 17.346 -0.995 278 HG13 VAL 56 HG13 VAL 56 -1.885 16.035 -0.582 279 HG21 VAL 56 HG21 VAL 56 -4.870 18.285 -1.197 280 HG22 VAL 56 HG22 VAL 56 -3.745 18.758 -2.470 281 HG23 VAL 56 HG23 VAL 56 -4.083 17.051 -2.181 282 H HIS 57 H HIS 57 -2.523 19.339 2.363 283 HA HIS 57 HA HIS 57 -0.052 17.942 3.012 284 HB2 HIS 57 HB2 HIS 57 0.520 19.993 4.260 285 HB3 HIS 57 HB3 HIS 57 0.085 20.340 2.588 286 HD1 HIS 57 HD1 HIS 57 -1.028 20.887 6.101 287 HD2 HIS 57 HD2 HIS 57 -2.310 21.780 2.251 288 HE1 HIS 57 HE1 HIS 57 -2.848 22.601 6.379 289 H PHE 58 H PHE 58 -2.953 17.300 3.930 290 HA PHE 58 HA PHE 58 -2.302 17.065 6.795 291 HB2 PHE 58 HB2 PHE 58 -4.576 18.230 5.561 292 HB3 PHE 58 HB3 PHE 58 -5.109 16.739 6.332 293 HD1 PHE 58 HD1 PHE 58 -3.504 16.560 8.715 294 HD2 PHE 58 HD2 PHE 58 -5.236 19.990 6.883 295 HE1 PHE 58 HE1 PHE 58 -3.542 17.701 10.894 296 HE2 PHE 58 HE2 PHE 58 -5.275 21.137 9.059 297 HZ PHE 58 HZ PHE 58 -4.427 19.993 11.068 298 H LEU 59 H LEU 59 -3.446 15.485 3.913 299 HA LEU 59 HA LEU 59 -4.499 13.132 4.891 300 HB2 LEU 59 HB2 LEU 59 -2.934 13.785 2.427 301 HB3 LEU 59 HB3 LEU 59 -3.414 12.122 2.760 302 HG LEU 59 HG LEU 59 -4.972 13.150 1.225 303 HD11 LEU 59 HD11 LEU 59 -6.246 12.903 3.944 304 HD12 LEU 59 HD12 LEU 59 -5.798 11.540 2.919 305 HD13 LEU 59 HD13 LEU 59 -7.025 12.684 2.378 306 HD21 LEU 59 HD21 LEU 59 -5.788 15.117 3.330 307 HD22 LEU 59 HD22 LEU 59 -6.107 15.140 1.595 308 HD23 LEU 59 HD23 LEU 59 -4.487 15.494 2.200 309 H GLY 60 H GLY 60 -1.112 14.041 4.500 310 HA2 GLY 60 HA2 GLY 60 -0.253 11.431 5.507 311 HA3 GLY 60 HA3 GLY 60 0.790 12.683 4.849 312 H SER 61 H SER 61 -1.642 12.797 7.439 313 HA SER 61 HA SER 61 0.283 12.923 9.533 314 HB2 SER 61 HB2 SER 61 0.102 15.290 8.194 315 HB3 SER 61 HB3 SER 61 -1.125 15.515 9.440 316 HG SER 61 HG SER 61 0.630 14.726 10.908 317 H ASN 62 H ASN 62 -2.964 14.009 8.570 318 HA ASN 62 HA ASN 62 -4.195 13.930 11.053 319 HB2 ASN 62 HB2 ASN 62 -5.007 14.282 8.388 320 HB3 ASN 62 HB3 ASN 62 -5.985 12.953 9.005 321 HD21 ASN 62 HD21 ASN 62 -7.408 13.320 10.701 322 HD22 ASN 62 HD22 ASN 62 -7.886 14.913 11.170 323 H VAL 63 H VAL 63 -6.050 12.291 11.535 324 HA VAL 63 HA VAL 63 -4.819 9.797 12.102 325 HB VAL 63 HB VAL 63 -6.498 10.714 13.602 326 HG11 VAL 63 HG11 VAL 63 -8.704 10.064 11.709 327 HG12 VAL 63 HG12 VAL 63 -8.662 11.220 13.042 328 HG13 VAL 63 HG13 VAL 63 -7.846 11.593 11.523 329 HG21 VAL 63 HG21 VAL 63 -6.722 8.574 14.172 330 HG22 VAL 63 HG22 VAL 63 -8.156 8.527 13.147 331 HG23 VAL 63 HG23 VAL 63 -6.589 8.045 12.496 332 H MET 64 H MET 64 -7.350 10.789 9.822 333 HA MET 64 HA MET 64 -8.379 9.665 8.114 334 HB2 MET 64 HB2 MET 64 -5.452 9.156 7.821 335 HB3 MET 64 HB3 MET 64 -6.561 8.326 6.737 336 HG2 MET 64 HG2 MET 64 -7.030 11.208 7.021 337 HG3 MET 64 HG3 MET 64 -5.494 10.765 6.278 338 HE1 MET 64 HE1 MET 64 -9.660 9.987 5.462 339 HE2 MET 64 HE2 MET 64 -8.914 11.425 6.158 340 HE3 MET 64 HE3 MET 64 -9.311 11.381 4.440 341 H GLU 65 H GLU 65 -9.176 8.342 10.172 342 HA GLU 65 HA GLU 65 -8.455 5.516 9.833 343 HB2 GLU 65 HB2 GLU 65 -8.611 6.904 12.124 344 HB3 GLU 65 HB3 GLU 65 -10.281 6.364 12.015 345 HG2 GLU 65 HG2 GLU 65 -9.672 4.432 12.891 346 HG3 GLU 65 HG3 GLU 65 -8.701 4.118 11.454 347 H GLU 66 H GLU 66 -10.503 4.078 10.470 348 HA GLU 66 HA GLU 66 -12.219 4.105 8.296 349 HB2 GLU 66 HB2 GLU 66 -13.658 2.569 9.663 350 HB3 GLU 66 HB3 GLU 66 -11.967 2.099 9.567 351 HG2 GLU 66 HG2 GLU 66 -11.627 3.192 11.791 352 HG3 GLU 66 HG3 GLU 66 -13.375 3.400 11.882 353 H GLN 67 H GLN 67 -12.787 5.341 11.578 354 HA GLN 67 HA GLN 67 -15.432 6.214 11.108 355 HB2 GLN 67 HB2 GLN 67 -13.857 5.987 13.315 356 HB3 GLN 67 HB3 GLN 67 -13.855 7.730 13.083 357 HG2 GLN 67 HG2 GLN 67 -15.687 7.577 14.389 358 HG3 GLN 67 HG3 GLN 67 -16.466 7.300 12.831 359 HE21 GLN 67 HE21 GLN 67 -18.141 6.137 13.765 360 HE22 GLN 67 HE22 GLN 67 -17.925 4.534 14.372 361 H ASP 68 H ASP 68 -12.309 7.884 10.959 362 HA ASP 68 HA ASP 68 -13.161 10.470 10.509 363 HB2 ASP 68 HB2 ASP 68 -10.746 9.351 10.650 364 HB3 ASP 68 HB3 ASP 68 -10.858 9.482 8.897 365 H LEU 69 H LEU 69 -12.789 7.835 8.177 366 HA LEU 69 HA LEU 69 -13.461 9.416 5.904 367 HB2 LEU 69 HB2 LEU 69 -13.731 6.432 6.135 368 HB3 LEU 69 HB3 LEU 69 -13.468 7.386 4.678 369 HG LEU 69 HG LEU 69 -11.336 7.661 6.661 370 HD11 LEU 69 HD11 LEU 69 -10.608 5.542 6.857 371 HD12 LEU 69 HD12 LEU 69 -11.174 5.083 5.252 372 HD13 LEU 69 HD13 LEU 69 -12.308 5.148 6.601 373 HD21 LEU 69 HD21 LEU 69 -10.109 8.021 4.822 374 HD22 LEU 69 HD22 LEU 69 -11.663 8.130 3.995 375 HD23 LEU 69 HD23 LEU 69 -10.765 6.611 3.990 376 H ARG 70 H ARG 70 -15.277 7.511 8.207 377 HA ARG 70 HA ARG 70 -17.704 7.451 6.708 378 HB2 ARG 70 HB2 ARG 70 -17.116 5.841 8.531 379 HB3 ARG 70 HB3 ARG 70 -17.347 7.142 9.692 380 HG2 ARG 70 HG2 ARG 70 -19.568 6.934 9.654 381 HG3 ARG 70 HG3 ARG 70 -19.615 6.777 7.897 382 HD2 ARG 70 HD2 ARG 70 -18.535 4.409 8.510 383 HD3 ARG 70 HD3 ARG 70 -19.446 4.694 9.993 384 HE ARG 70 HE ARG 70 -21.006 5.128 7.633 385 HH11 ARG 70 HH11 ARG 70 -19.813 2.707 9.832 386 HH12 ARG 70 HH12 ARG 70 -21.091 1.588 9.500 387 HH21 ARG 70 HH21 ARG 70 -22.695 3.663 7.186 388 HH22 ARG 70 HH22 ARG 70 -22.731 2.131 7.994 389 H ASP 71 H ASP 71 -16.372 9.561 9.197 390 HA ASP 71 HA ASP 71 -18.690 11.085 9.674 391 HB2 ASP 71 HB2 ASP 71 -16.798 11.150 11.201 392 HB3 ASP 71 HB3 ASP 71 -15.775 11.844 9.945 393 H ILE 72 H ILE 72 -16.112 11.376 7.295 394 HA ILE 72 HA ILE 72 -17.044 13.896 6.278 395 HB ILE 72 HB ILE 72 -15.411 13.522 4.456 396 HG12 ILE 72 HG12 ILE 72 -14.803 10.941 5.912 397 HG13 ILE 72 HG13 ILE 72 -15.644 11.050 4.370 398 HG21 ILE 72 HG21 ILE 72 -14.922 13.984 7.165 399 HG22 ILE 72 HG22 ILE 72 -13.662 12.866 6.646 400 HG23 ILE 72 HG23 ILE 72 -13.879 14.400 5.806 401 HD11 ILE 72 HD11 ILE 72 -13.275 10.452 4.135 402 HD12 ILE 72 HD12 ILE 72 -13.676 11.965 3.322 403 HD13 ILE 72 HD13 ILE 72 -12.831 11.992 4.870 404 H GLY 73 H GLY 73 -18.095 10.727 5.956 405 HA2 GLY 73 HA2 GLY 73 -20.253 10.592 4.705 406 HA3 GLY 73 HA3 GLY 73 -19.392 11.350 3.374 407 H ILE 74 H ILE 74 -16.973 9.881 3.601 408 HA ILE 74 HA ILE 74 -17.557 7.662 2.004 409 HB ILE 74 HB ILE 74 -15.067 8.046 3.668 410 HG12 ILE 74 HG12 ILE 74 -15.722 9.057 0.892 411 HG13 ILE 74 HG13 ILE 74 -15.528 10.047 2.334 412 HG21 ILE 74 HG21 ILE 74 -15.269 5.819 2.725 413 HG22 ILE 74 HG22 ILE 74 -15.568 6.501 1.127 414 HG23 ILE 74 HG23 ILE 74 -13.997 6.718 1.898 415 HD11 ILE 74 HD11 ILE 74 -13.182 8.537 2.117 416 HD12 ILE 74 HD12 ILE 74 -13.551 9.117 0.492 417 HD13 ILE 74 HD13 ILE 74 -13.391 10.263 1.824 418 H SER 75 H SER 75 -18.975 6.201 2.842 419 HA SER 75 HA SER 75 -18.173 4.848 5.335 420 HB2 SER 75 HB2 SER 75 -20.527 4.273 5.667 421 HB3 SER 75 HB3 SER 75 -20.345 6.019 5.499 422 HG SER 75 HG SER 75 -21.745 5.848 3.952 423 H ASP 76 H ASP 76 -17.978 4.494 2.137 424 HA ASP 76 HA ASP 76 -18.871 1.741 1.929 425 HB2 ASP 76 HB2 ASP 76 -18.044 3.855 0.074 426 HB3 ASP 76 HB3 ASP 76 -17.448 2.257 -0.366 427 HA PRO 77 HA PRO 77 -15.060 -0.184 2.954 428 HB2 PRO 77 HB2 PRO 77 -15.202 -2.414 1.412 429 HB3 PRO 77 HB3 PRO 77 -16.193 -2.180 2.856 430 HG2 PRO 77 HG2 PRO 77 -16.915 -1.779 -0.021 431 HG3 PRO 77 HG3 PRO 77 -17.860 -2.537 1.274 432 HD2 PRO 77 HD2 PRO 77 -18.296 0.004 0.446 433 HD3 PRO 77 HD3 PRO 77 -18.550 -0.509 2.127 434 H GLN 78 H GLN 78 -15.773 -0.234 -0.540 435 HA GLN 78 HA GLN 78 -13.020 -0.405 -1.284 436 HB2 GLN 78 HB2 GLN 78 -13.870 0.018 -3.582 437 HB3 GLN 78 HB3 GLN 78 -14.690 -1.307 -2.768 438 HG2 GLN 78 HG2 GLN 78 -16.054 1.184 -2.299 439 HG3 GLN 78 HG3 GLN 78 -15.854 0.883 -4.025 440 HE21 GLN 78 HE21 GLN 78 -16.408 -1.403 -4.695 441 HE22 GLN 78 HE22 GLN 78 -17.837 -2.084 -4.002 442 H HIS 79 H HIS 79 -14.881 2.104 -0.114 443 HA HIS 79 HA HIS 79 -13.295 4.149 -1.510 444 HB2 HIS 79 HB2 HIS 79 -15.859 4.395 0.076 445 HB3 HIS 79 HB3 HIS 79 -14.988 5.754 -0.628 446 HD1 HIS 79 HD1 HIS 79 -17.549 5.863 -1.757 447 HD2 HIS 79 HD2 HIS 79 -14.871 3.022 -3.177 448 HE1 HIS 79 HE1 HIS 79 -18.415 5.195 -4.022 449 H ARG 80 H ARG 80 -13.727 2.573 1.494 450 HA ARG 80 HA ARG 80 -12.501 4.696 3.051 451 HB2 ARG 80 HB2 ARG 80 -13.967 2.229 3.610 452 HB3 ARG 80 HB3 ARG 80 -12.580 2.460 4.667 453 HG2 ARG 80 HG2 ARG 80 -13.583 4.882 4.898 454 HG3 ARG 80 HG3 ARG 80 -15.070 4.060 4.422 455 HD2 ARG 80 HD2 ARG 80 -13.303 3.426 6.779 456 HD3 ARG 80 HD3 ARG 80 -14.938 4.085 6.819 457 HE ARG 80 HE ARG 80 -14.181 1.328 6.433 458 HH11 ARG 80 HH11 ARG 80 -16.674 3.727 6.048 459 HH12 ARG 80 HH12 ARG 80 -17.963 2.569 6.002 460 HH21 ARG 80 HH21 ARG 80 -15.868 -0.206 6.373 461 HH22 ARG 80 HH22 ARG 80 -17.503 0.333 6.187 462 H ARG 81 H ARG 81 -11.708 1.428 1.930 463 HA ARG 81 HA ARG 81 -9.119 1.392 3.127 464 HB2 ARG 81 HB2 ARG 81 -10.722 -0.365 1.406 465 HB3 ARG 81 HB3 ARG 81 -8.993 -0.446 1.093 466 HG2 ARG 81 HG2 ARG 81 -9.767 -0.550 3.927 467 HG3 ARG 81 HG3 ARG 81 -10.270 -1.927 2.944 468 HD2 ARG 81 HD2 ARG 81 -7.752 -1.717 2.097 469 HD3 ARG 81 HD3 ARG 81 -7.553 -1.015 3.702 470 HE ARG 81 HE ARG 81 -8.991 -3.426 3.903 471 HH11 ARG 81 HH11 ARG 81 -5.791 -2.240 3.218 472 HH12 ARG 81 HH12 ARG 81 -4.996 -3.668 3.797 473 HH21 ARG 81 HH21 ARG 81 -7.957 -5.310 4.668 474 HH22 ARG 81 HH22 ARG 81 -6.230 -5.413 4.620 475 H LYS 82 H LYS 82 -10.385 2.304 -0.020 476 HA LYS 82 HA LYS 82 -7.889 2.523 -1.344 477 HB2 LYS 82 HB2 LYS 82 -10.415 2.537 -2.213 478 HB3 LYS 82 HB3 LYS 82 -10.155 4.275 -2.153 479 HG2 LYS 82 HG2 LYS 82 -8.992 4.235 -4.037 480 HG3 LYS 82 HG3 LYS 82 -7.931 2.964 -3.424 481 HD2 LYS 82 HD2 LYS 82 -10.687 2.424 -4.511 482 HD3 LYS 82 HD3 LYS 82 -9.235 2.404 -5.515 483 HE2 LYS 82 HE2 LYS 82 -8.673 0.372 -4.796 484 HE3 LYS 82 HE3 LYS 82 -8.881 0.840 -3.109 485 HZ1 LYS 82 HZ1 LYS 82 -10.572 -0.736 -4.732 486 HZ2 LYS 82 HZ2 LYS 82 -11.421 0.622 -4.190 487 HZ3 LYS 82 HZ3 LYS 82 -10.687 -0.417 -3.075 488 H LEU 83 H LEU 83 -9.954 4.895 0.302 489 HA LEU 83 HA LEU 83 -8.280 7.121 -0.205 490 HB2 LEU 83 HB2 LEU 83 -10.783 6.839 0.723 491 HB3 LEU 83 HB3 LEU 83 -9.934 7.111 2.243 492 HG LEU 83 HG LEU 83 -9.002 9.122 0.569 493 HD11 LEU 83 HD11 LEU 83 -10.543 9.130 -1.095 494 HD12 LEU 83 HD12 LEU 83 -11.429 10.093 0.087 495 HD13 LEU 83 HD13 LEU 83 -11.789 8.377 -0.101 496 HD21 LEU 83 HD21 LEU 83 -11.309 9.433 2.466 497 HD22 LEU 83 HD22 LEU 83 -10.005 10.569 2.118 498 HD23 LEU 83 HD23 LEU 83 -9.672 9.097 3.031 499 H LEU 84 H LEU 84 -8.165 4.561 2.096 500 HA LEU 84 HA LEU 84 -6.368 5.979 3.885 501 HB2 LEU 84 HB2 LEU 84 -7.986 3.575 3.985 502 HB3 LEU 84 HB3 LEU 84 -6.358 3.299 4.600 503 HG LEU 84 HG LEU 84 -6.639 4.874 6.335 504 HD11 LEU 84 HD11 LEU 84 -7.658 6.699 5.224 505 HD12 LEU 84 HD12 LEU 84 -8.763 6.216 6.511 506 HD13 LEU 84 HD13 LEU 84 -9.098 5.755 4.842 507 HD21 LEU 84 HD21 LEU 84 -8.628 4.062 7.511 508 HD22 LEU 84 HD22 LEU 84 -7.740 2.744 6.746 509 HD23 LEU 84 HD23 LEU 84 -9.223 3.353 6.009 510 H GLN 85 H GLN 85 -6.241 3.657 1.294 511 HA GLN 85 HA GLN 85 -3.513 2.883 1.799 512 HB2 GLN 85 HB2 GLN 85 -5.450 1.588 0.561 513 HB3 GLN 85 HB3 GLN 85 -4.839 2.453 -0.843 514 HG2 GLN 85 HG2 GLN 85 -2.885 1.296 -0.888 515 HG3 GLN 85 HG3 GLN 85 -2.875 1.026 0.855 516 HE21 GLN 85 HE21 GLN 85 -2.535 -0.799 -1.472 517 HE22 GLN 85 HE22 GLN 85 -3.684 -2.064 -1.216 518 H ALA 86 H ALA 86 -5.203 5.015 -0.461 519 HA ALA 86 HA ALA 86 -2.821 5.773 -1.861 520 HB1 ALA 86 HB1 ALA 86 -5.320 7.412 -1.893 521 HB2 ALA 86 HB2 ALA 86 -4.175 7.084 -3.196 522 HB3 ALA 86 HB3 ALA 86 -5.291 5.826 -2.664 523 H ALA 87 H ALA 87 -4.311 6.731 1.063 524 HA ALA 87 HA ALA 87 -3.154 9.385 1.107 525 HB1 ALA 87 HB1 ALA 87 -4.075 9.454 3.422 526 HB2 ALA 87 HB2 ALA 87 -5.277 9.121 2.175 527 HB3 ALA 87 HB3 ALA 87 -4.665 7.809 3.183 528 H ARG 88 H ARG 88 -2.626 6.277 2.737 529 HA ARG 88 HA ARG 88 -0.400 7.244 4.264 530 HB2 ARG 88 HB2 ARG 88 -1.933 4.777 4.040 531 HB3 ARG 88 HB3 ARG 88 -0.210 4.476 4.215 532 HG2 ARG 88 HG2 ARG 88 -0.408 4.789 6.394 533 HG3 ARG 88 HG3 ARG 88 -0.869 6.465 6.091 534 HD2 ARG 88 HD2 ARG 88 -3.065 6.062 6.435 535 HD3 ARG 88 HD3 ARG 88 -2.992 4.458 5.706 536 HE ARG 88 HE ARG 88 -1.681 4.645 8.261 537 HH11 ARG 88 HH11 ARG 88 -4.692 4.072 6.610 538 HH12 ARG 88 HH12 ARG 88 -5.386 3.166 7.914 539 HH21 ARG 88 HH21 ARG 88 -2.583 3.454 9.985 540 HH22 ARG 88 HH22 ARG 88 -4.186 2.816 9.833 541 H SER 89 H SER 89 -0.839 6.014 1.094 542 HA SER 89 HA SER 89 1.801 4.993 0.708 543 HB2 SER 89 HB2 SER 89 0.109 4.144 -0.739 544 HB3 SER 89 HB3 SER 89 -0.408 5.765 -1.202 545 HG SER 89 HG SER 89 0.893 4.802 -2.812 546 H LEU 90 H LEU 90 0.629 8.090 1.070 547 HA LEU 90 HA LEU 90 2.192 9.500 -0.834 548 HB2 LEU 90 HB2 LEU 90 0.602 10.179 1.568 549 HB3 LEU 90 HB3 LEU 90 1.832 11.341 1.076 550 HG LEU 90 HG LEU 90 0.424 10.730 -1.260 551 HD11 LEU 90 HD11 LEU 90 -1.274 9.747 0.363 552 HD12 LEU 90 HD12 LEU 90 -1.860 10.951 -0.784 553 HD13 LEU 90 HD13 LEU 90 -1.557 11.405 0.893 554 HD21 LEU 90 HD21 LEU 90 0.708 13.029 0.594 555 HD22 LEU 90 HD22 LEU 90 -0.564 13.109 -0.625 556 HD23 LEU 90 HD23 LEU 90 1.116 12.893 -1.116 557 HA PRO 91 HA PRO 91 6.187 9.661 0.975 558 HB2 PRO 91 HB2 PRO 91 6.938 12.229 0.516 559 HB3 PRO 91 HB3 PRO 91 6.820 11.017 -0.767 560 HG2 PRO 91 HG2 PRO 91 4.868 13.150 0.012 561 HG3 PRO 91 HG3 PRO 91 5.382 12.640 -1.608 562 HD2 PRO 91 HD2 PRO 91 3.044 11.837 -0.502 563 HD3 PRO 91 HD3 PRO 91 3.972 10.817 -1.619 564 H LYS 92 H LYS 92 7.585 10.901 2.545 565 HA LYS 92 HA LYS 92 6.388 11.113 5.022 566 HB2 LYS 92 HB2 LYS 92 8.442 12.276 5.749 567 HB3 LYS 92 HB3 LYS 92 8.789 10.855 4.772 568 HG2 LYS 92 HG2 LYS 92 8.577 13.357 3.259 569 HG3 LYS 92 HG3 LYS 92 9.912 13.294 4.412 570 HD2 LYS 92 HD2 LYS 92 9.685 10.819 2.938 571 HD3 LYS 92 HD3 LYS 92 9.849 12.197 1.848 572 HE2 LYS 92 HE2 LYS 92 11.645 12.075 4.208 573 HE3 LYS 92 HE3 LYS 92 11.951 10.948 2.887 574 HZ1 LYS 92 HZ1 LYS 92 11.849 13.909 2.705 575 HZ2 LYS 92 HZ2 LYS 92 11.987 12.878 1.371 576 HZ3 LYS 92 HZ3 LYS 92 13.217 12.928 2.532 577 H VAL 93 H VAL 93 6.378 13.119 6.431 578 HA VAL 93 HA VAL 93 5.412 15.456 4.920 579 HB VAL 93 HB VAL 93 3.522 14.150 5.903 580 HG11 VAL 93 HG11 VAL 93 5.209 14.079 8.154 581 HG12 VAL 93 HG12 VAL 93 3.807 15.053 8.606 582 HG13 VAL 93 HG13 VAL 93 3.584 13.412 7.996 583 HG21 VAL 93 HG21 VAL 93 3.469 16.662 7.438 584 HG22 VAL 93 HG22 VAL 93 3.849 16.827 5.723 585 HG23 VAL 93 HG23 VAL 93 2.348 16.049 6.222 586 H LYS 94 H LYS 94 5.668 17.490 5.953 587 HA LYS 94 HA LYS 94 6.780 19.066 7.159 588 HB2 LYS 94 HB2 LYS 94 6.014 17.077 9.024 589 HB3 LYS 94 HB3 LYS 94 7.659 17.550 9.430 590 HG2 LYS 94 HG2 LYS 94 7.057 19.741 9.877 591 HG3 LYS 94 HG3 LYS 94 5.569 19.629 8.936 592 HD2 LYS 94 HD2 LYS 94 5.607 17.716 11.109 593 HD3 LYS 94 HD3 LYS 94 5.823 19.368 11.692 594 HE2 LYS 94 HE2 LYS 94 3.695 19.892 11.273 595 HE3 LYS 94 HE3 LYS 94 3.757 19.179 9.662 596 HZ1 LYS 94 HZ1 LYS 94 3.631 17.385 11.976 597 HZ2 LYS 94 HZ2 LYS 94 3.012 17.175 10.416 598 HZ3 LYS 94 HZ3 LYS 94 2.218 18.192 11.510 599 H ALA 95 H ALA 95 8.190 17.125 5.376 600 HA ALA 95 HA ALA 95 10.875 17.156 6.557 601 HB1 ALA 95 HB1 ALA 95 9.519 15.476 4.552 602 HB2 ALA 95 HB2 ALA 95 11.221 15.827 4.245 603 HB3 ALA 95 HB3 ALA 95 10.738 15.053 5.755 604 H LEU 96 H LEU 96 8.920 18.840 4.364 605 HA LEU 96 HA LEU 96 10.798 19.664 2.440 606 HB2 LEU 96 HB2 LEU 96 8.140 20.014 2.785 607 HB3 LEU 96 HB3 LEU 96 8.733 21.612 3.232 608 HG LEU 96 HG LEU 96 10.033 21.343 0.924 609 HD11 LEU 96 HD11 LEU 96 8.458 20.285 -0.711 610 HD12 LEU 96 HD12 LEU 96 7.610 19.577 0.663 611 HD13 LEU 96 HD13 LEU 96 9.295 19.156 0.354 612 HD21 LEU 96 HD21 LEU 96 7.179 22.198 1.353 613 HD22 LEU 96 HD22 LEU 96 8.062 22.489 -0.145 614 HD23 LEU 96 HD23 LEU 96 8.628 23.203 1.365 615 H GLY 97 H GLY 97 10.864 22.383 2.388 616 HA2 GLY 97 HA2 GLY 97 13.020 22.999 4.076 617 HA3 GLY 97 HA3 GLY 97 12.086 24.168 3.155 618 H TYR 98 H TYR 98 12.620 22.723 6.243 619 HA TYR 98 HA TYR 98 11.540 24.879 7.665 620 HB2 TYR 98 HB2 TYR 98 9.358 24.136 7.021 621 HB3 TYR 98 HB3 TYR 98 9.737 22.468 7.432 622 HD1 TYR 98 HD1 TYR 98 9.577 25.838 9.039 623 HD2 TYR 98 HD2 TYR 98 8.990 21.644 9.456 624 HE1 TYR 98 HE1 TYR 98 8.671 26.195 11.299 625 HE2 TYR 98 HE2 TYR 98 8.081 21.990 11.715 626 HH TYR 98 HH TYR 98 8.103 23.598 13.482 627 H ASP 99 H ASP 99 11.922 24.728 9.884 628 HA ASP 99 HA ASP 99 13.718 22.554 10.632 629 HB2 ASP 99 HB2 ASP 99 14.457 23.954 12.419 630 HB3 ASP 99 HB3 ASP 99 14.319 24.981 10.994 631 H GLY 100 H GLY 100 13.178 20.955 11.978 632 HA2 GLY 100 HA2 GLY 100 11.973 20.593 14.203 633 HA3 GLY 100 HA3 GLY 100 10.556 21.137 13.316 634 H ASN 101 H ASN 101 12.335 18.473 14.274 635 HA ASN 101 HA ASN 101 11.554 16.765 12.062 636 HB2 ASN 101 HB2 ASN 101 13.093 16.291 14.611 637 HB3 ASN 101 HB3 ASN 101 12.615 14.971 13.548 638 HD21 ASN 101 HD21 ASN 101 14.107 14.370 12.170 639 HD22 ASN 101 HD22 ASN 101 15.347 15.370 11.503 Start of MODEL 14 1 H MET 21 H MET 21 4.079 24.178 9.945 2 HA MET 21 HA MET 21 6.009 23.886 11.125 3 HB2 MET 21 HB2 MET 21 5.850 22.433 13.017 4 HB3 MET 21 HB3 MET 21 4.248 23.100 12.731 5 HG2 MET 21 HG2 MET 21 3.618 21.018 11.576 6 HG3 MET 21 HG3 MET 21 5.204 20.354 11.962 7 HE1 MET 21 HE1 MET 21 1.944 21.614 14.833 8 HE2 MET 21 HE2 MET 21 2.101 21.944 13.108 9 HE3 MET 21 HE3 MET 21 1.439 20.402 13.655 10 H ILE 22 H ILE 22 4.841 21.051 9.441 11 HA ILE 22 HA ILE 22 7.499 19.848 9.422 12 HB ILE 22 HB ILE 22 6.421 17.972 8.233 13 HG12 ILE 22 HG12 ILE 22 3.847 19.498 8.677 14 HG13 ILE 22 HG13 ILE 22 4.660 19.355 7.122 15 HG21 ILE 22 HG21 ILE 22 5.574 17.036 10.139 16 HG22 ILE 22 HG22 ILE 22 6.414 18.424 10.829 17 HG23 ILE 22 HG23 ILE 22 4.669 18.484 10.581 18 HD11 ILE 22 HD11 ILE 22 3.851 16.922 8.659 19 HD12 ILE 22 HD12 ILE 22 2.701 17.788 7.640 20 HD13 ILE 22 HD13 ILE 22 4.163 17.100 6.932 21 H SER 23 H SER 23 5.326 21.611 7.361 22 HA SER 23 HA SER 23 5.533 22.467 5.264 23 HB2 SER 23 HB2 SER 23 7.987 22.820 6.464 24 HB3 SER 23 HB3 SER 23 8.412 21.999 4.962 25 HG SER 23 HG SER 23 8.223 23.922 4.134 26 H GLY 24 H GLY 24 7.030 21.896 3.078 27 HA2 GLY 24 HA2 GLY 24 6.693 18.988 2.698 28 HA3 GLY 24 HA3 GLY 24 6.081 20.142 1.523 29 H LEU 25 H LEU 25 7.775 18.187 0.690 30 HA LEU 25 HA LEU 25 10.278 19.665 0.202 31 HB2 LEU 25 HB2 LEU 25 9.816 16.928 1.094 32 HB3 LEU 25 HB3 LEU 25 10.873 17.027 -0.313 33 HG LEU 25 HG LEU 25 12.179 16.957 1.725 34 HD11 LEU 25 HD11 LEU 25 13.657 18.300 0.764 35 HD12 LEU 25 HD12 LEU 25 12.737 19.726 1.241 36 HD13 LEU 25 HD13 LEU 25 12.373 18.911 -0.280 37 HD21 LEU 25 HD21 LEU 25 11.901 18.332 3.540 38 HD22 LEU 25 HD22 LEU 25 10.229 18.149 3.009 39 HD23 LEU 25 HD23 LEU 25 11.130 19.608 2.595 40 H ARG 26 H ARG 26 8.391 16.950 -1.149 41 HA ARG 26 HA ARG 26 8.471 18.256 -3.764 42 HB2 ARG 26 HB2 ARG 26 10.327 16.388 -3.280 43 HB3 ARG 26 HB3 ARG 26 9.002 15.332 -3.749 44 HG2 ARG 26 HG2 ARG 26 10.053 15.676 -5.758 45 HG3 ARG 26 HG3 ARG 26 8.813 16.932 -5.793 46 HD2 ARG 26 HD2 ARG 26 10.590 18.223 -6.354 47 HD3 ARG 26 HD3 ARG 26 10.766 18.307 -4.602 48 HE ARG 26 HE ARG 26 12.718 17.140 -4.790 49 HH11 ARG 26 HH11 ARG 26 10.862 16.697 -7.702 50 HH12 ARG 26 HH12 ARG 26 12.121 15.839 -8.529 51 HH21 ARG 26 HH21 ARG 26 14.382 16.012 -5.868 52 HH22 ARG 26 HH22 ARG 26 14.122 15.450 -7.484 53 H THR 27 H THR 27 6.537 18.209 -4.696 54 HA THR 27 HA THR 27 4.670 16.047 -3.978 55 HB THR 27 HB THR 27 2.992 18.149 -4.509 56 HG1 THR 27 HG1 THR 27 4.572 19.720 -4.419 57 HG21 THR 27 HG21 THR 27 2.381 18.024 -2.231 58 HG22 THR 27 HG22 THR 27 4.006 17.543 -1.740 59 HG23 THR 27 HG23 THR 27 2.988 16.420 -2.641 60 H LEU 28 H LEU 28 2.808 15.916 -5.546 61 HA LEU 28 HA LEU 28 3.876 16.116 -8.259 62 HB2 LEU 28 HB2 LEU 28 1.474 14.656 -7.170 63 HB3 LEU 28 HB3 LEU 28 1.990 14.631 -8.855 64 HG LEU 28 HG LEU 28 3.762 13.662 -6.627 65 HD11 LEU 28 HD11 LEU 28 2.415 11.625 -8.226 66 HD12 LEU 28 HD12 LEU 28 1.331 12.533 -7.172 67 HD13 LEU 28 HD13 LEU 28 2.722 11.690 -6.490 68 HD21 LEU 28 HD21 LEU 28 5.053 13.941 -8.526 69 HD22 LEU 28 HD22 LEU 28 3.740 13.489 -9.613 70 HD23 LEU 28 HD23 LEU 28 4.556 12.253 -8.654 71 H GLU 29 H GLU 29 2.773 18.417 -6.718 72 HA GLU 29 HA GLU 29 1.268 20.136 -6.930 73 HB2 GLU 29 HB2 GLU 29 1.210 21.083 -9.159 74 HB3 GLU 29 HB3 GLU 29 2.821 20.464 -8.826 75 HG2 GLU 29 HG2 GLU 29 2.547 18.643 -10.260 76 HG3 GLU 29 HG3 GLU 29 0.794 18.827 -10.303 77 H GLN 30 H GLN 30 -0.033 17.659 -6.540 78 HA GLN 30 HA GLN 30 -2.345 17.775 -8.338 79 HB2 GLN 30 HB2 GLN 30 -2.951 15.601 -7.476 80 HB3 GLN 30 HB3 GLN 30 -1.259 15.577 -7.958 81 HG2 GLN 30 HG2 GLN 30 -0.726 16.038 -5.515 82 HG3 GLN 30 HG3 GLN 30 -2.410 15.629 -5.191 83 HE21 GLN 30 HE21 GLN 30 -1.295 13.966 -3.869 84 HE22 GLN 30 HE22 GLN 30 -0.895 12.468 -4.633 85 H SER 31 H SER 31 -4.494 17.270 -7.187 86 HA SER 31 HA SER 31 -4.658 18.681 -4.615 87 HB2 SER 31 HB2 SER 31 -5.270 20.097 -6.718 88 HB3 SER 31 HB3 SER 31 -6.750 19.135 -6.724 89 HG SER 31 HG SER 31 -5.840 20.490 -4.415 90 H VAL 32 H VAL 32 -7.179 18.536 -3.947 91 HA VAL 32 HA VAL 32 -7.625 15.866 -3.253 92 HB VAL 32 HB VAL 32 -9.625 18.130 -3.341 93 HG11 VAL 32 HG11 VAL 32 -11.124 16.539 -2.889 94 HG12 VAL 32 HG12 VAL 32 -9.873 15.324 -2.618 95 HG13 VAL 32 HG13 VAL 32 -10.346 16.410 -1.311 96 HG21 VAL 32 HG21 VAL 32 -8.665 18.946 -1.509 97 HG22 VAL 32 HG22 VAL 32 -8.693 17.365 -0.725 98 HG23 VAL 32 HG23 VAL 32 -7.339 17.811 -1.764 99 H GLY 33 H GLY 33 -9.424 17.869 -5.601 100 HA2 GLY 33 HA2 GLY 33 -11.150 15.941 -6.566 101 HA3 GLY 33 HA3 GLY 33 -10.546 17.288 -7.520 102 H GLU 34 H GLU 34 -8.137 16.901 -8.220 103 HA GLU 34 HA GLU 34 -8.102 14.891 -10.108 104 HB2 GLU 34 HB2 GLU 34 -6.565 16.713 -10.293 105 HB3 GLU 34 HB3 GLU 34 -5.820 16.321 -8.749 106 HG2 GLU 34 HG2 GLU 34 -4.378 15.654 -10.558 107 HG3 GLU 34 HG3 GLU 34 -4.968 14.231 -9.701 108 H TRP 35 H TRP 35 -6.605 14.864 -6.884 109 HA TRP 35 HA TRP 35 -5.387 12.390 -6.959 110 HB2 TRP 35 HB2 TRP 35 -5.024 13.837 -5.082 111 HB3 TRP 35 HB3 TRP 35 -6.735 13.817 -4.663 112 HD1 TRP 35 HD1 TRP 35 -4.656 10.661 -5.425 113 HE1 TRP 35 HE1 TRP 35 -4.636 9.182 -3.318 114 HE3 TRP 35 HE3 TRP 35 -7.055 13.816 -2.198 115 HZ2 TRP 35 HZ2 TRP 35 -5.519 9.335 -0.641 116 HZ3 TRP 35 HZ3 TRP 35 -7.429 13.075 0.118 117 HH2 TRP 35 HH2 TRP 35 -6.677 10.879 0.878 118 H LEU 36 H LEU 36 -8.676 13.082 -5.756 119 HA LEU 36 HA LEU 36 -9.384 10.373 -5.392 120 HB2 LEU 36 HB2 LEU 36 -11.150 12.774 -5.847 121 HB3 LEU 36 HB3 LEU 36 -11.691 11.205 -5.253 122 HG LEU 36 HG LEU 36 -9.603 12.716 -3.739 123 HD11 LEU 36 HD11 LEU 36 -11.429 14.315 -4.203 124 HD12 LEU 36 HD12 LEU 36 -11.289 13.902 -2.494 125 HD13 LEU 36 HD13 LEU 36 -12.569 13.185 -3.472 126 HD21 LEU 36 HD21 LEU 36 -9.882 10.997 -2.365 127 HD22 LEU 36 HD22 LEU 36 -11.151 10.341 -3.399 128 HD23 LEU 36 HD23 LEU 36 -11.558 11.486 -2.120 129 H GLU 37 H GLU 37 -9.444 12.488 -8.155 130 HA GLU 37 HA GLU 37 -11.249 10.997 -9.751 131 HB2 GLU 37 HB2 GLU 37 -9.611 13.334 -10.040 132 HB3 GLU 37 HB3 GLU 37 -9.382 12.292 -11.438 133 HG2 GLU 37 HG2 GLU 37 -12.165 12.441 -10.829 134 HG3 GLU 37 HG3 GLU 37 -11.498 14.070 -10.914 135 H SER 38 H SER 38 -7.860 10.685 -9.035 136 HA SER 38 HA SER 38 -7.203 8.984 -11.226 137 HB2 SER 38 HB2 SER 38 -5.633 10.373 -9.673 138 HB3 SER 38 HB3 SER 38 -5.707 8.959 -8.620 139 HG SER 38 HG SER 38 -4.294 9.323 -10.888 140 H ILE 39 H ILE 39 -8.737 8.506 -8.186 141 HA ILE 39 HA ILE 39 -8.394 5.594 -8.387 142 HB ILE 39 HB ILE 39 -9.187 5.467 -6.086 143 HG12 ILE 39 HG12 ILE 39 -9.271 8.489 -6.128 144 HG13 ILE 39 HG13 ILE 39 -10.696 7.463 -6.240 145 HG21 ILE 39 HG21 ILE 39 -7.129 5.847 -5.311 146 HG22 ILE 39 HG22 ILE 39 -6.753 6.435 -6.930 147 HG23 ILE 39 HG23 ILE 39 -7.223 7.572 -5.666 148 HD11 ILE 39 HD11 ILE 39 -10.091 6.497 -4.033 149 HD12 ILE 39 HD12 ILE 39 -8.796 7.690 -3.924 150 HD13 ILE 39 HD13 ILE 39 -10.478 8.217 -3.992 151 H GLY 40 H GLY 40 -10.662 8.132 -8.800 152 HA2 GLY 40 HA2 GLY 40 -12.707 7.834 -9.959 153 HA3 GLY 40 HA3 GLY 40 -12.724 6.154 -9.443 154 H LEU 41 H LEU 41 -12.014 8.607 -7.112 155 HA LEU 41 HA LEU 41 -14.706 8.251 -5.966 156 HB2 LEU 41 HB2 LEU 41 -12.494 7.372 -4.809 157 HB3 LEU 41 HB3 LEU 41 -12.400 9.047 -4.267 158 HG LEU 41 HG LEU 41 -14.648 8.787 -3.243 159 HD11 LEU 41 HD11 LEU 41 -15.897 6.935 -3.425 160 HD12 LEU 41 HD12 LEU 41 -14.506 5.859 -3.298 161 HD13 LEU 41 HD13 LEU 41 -14.903 6.608 -4.845 162 HD21 LEU 41 HD21 LEU 41 -13.796 7.036 -1.499 163 HD22 LEU 41 HD22 LEU 41 -12.984 8.593 -1.668 164 HD23 LEU 41 HD23 LEU 41 -12.294 7.151 -2.415 165 H GLN 42 H GLN 42 -13.262 10.365 -7.752 166 HA GLN 42 HA GLN 42 -13.047 12.774 -6.394 167 HB2 GLN 42 HB2 GLN 42 -12.559 12.157 -8.882 168 HB3 GLN 42 HB3 GLN 42 -14.220 12.669 -9.152 169 HG2 GLN 42 HG2 GLN 42 -12.926 14.651 -7.585 170 HG3 GLN 42 HG3 GLN 42 -11.888 14.256 -8.955 171 HE21 GLN 42 HE21 GLN 42 -15.412 14.362 -8.610 172 HE22 GLN 42 HE22 GLN 42 -15.676 15.506 -9.876 173 H GLN 43 H GLN 43 -15.860 10.962 -7.235 174 HA GLN 43 HA GLN 43 -17.777 13.024 -7.213 175 HB2 GLN 43 HB2 GLN 43 -19.420 11.243 -6.854 176 HB3 GLN 43 HB3 GLN 43 -18.261 10.798 -8.100 177 HG2 GLN 43 HG2 GLN 43 -17.168 9.832 -5.731 178 HG3 GLN 43 HG3 GLN 43 -18.892 9.481 -5.618 179 HE21 GLN 43 HE21 GLN 43 -16.601 7.687 -5.961 180 HE22 GLN 43 HE22 GLN 43 -16.917 6.789 -7.404 181 H TYR 44 H TYR 44 -16.276 11.156 -4.655 182 HA TYR 44 HA TYR 44 -18.039 12.266 -2.631 183 HB2 TYR 44 HB2 TYR 44 -16.288 9.995 -2.831 184 HB3 TYR 44 HB3 TYR 44 -15.865 10.941 -1.409 185 HD1 TYR 44 HD1 TYR 44 -18.391 11.930 -0.427 186 HD2 TYR 44 HD2 TYR 44 -17.480 8.141 -2.133 187 HE1 TYR 44 HE1 TYR 44 -20.273 10.932 0.802 188 HE2 TYR 44 HE2 TYR 44 -19.361 7.131 -0.909 189 HH TYR 44 HH TYR 44 -21.764 8.956 0.598 190 H GLU 45 H GLU 45 -15.694 13.603 -4.321 191 HA GLU 45 HA GLU 45 -13.794 14.575 -2.527 192 HB2 GLU 45 HB2 GLU 45 -13.442 14.874 -4.870 193 HB3 GLU 45 HB3 GLU 45 -14.943 15.773 -5.045 194 HG2 GLU 45 HG2 GLU 45 -13.233 17.049 -3.123 195 HG3 GLU 45 HG3 GLU 45 -12.379 16.797 -4.643 196 H SER 46 H SER 46 -16.938 15.931 -3.457 197 HA SER 46 HA SER 46 -16.876 18.330 -2.120 198 HB2 SER 46 HB2 SER 46 -18.738 17.594 -3.573 199 HB3 SER 46 HB3 SER 46 -19.255 16.467 -2.320 200 HG SER 46 HG SER 46 -19.540 19.214 -2.467 201 H LYS 47 H LYS 47 -17.607 15.129 -0.811 202 HA LYS 47 HA LYS 47 -18.301 16.012 1.790 203 HB2 LYS 47 HB2 LYS 47 -17.495 13.372 0.614 204 HB3 LYS 47 HB3 LYS 47 -17.664 13.550 2.356 205 HG2 LYS 47 HG2 LYS 47 -19.710 12.691 1.534 206 HG3 LYS 47 HG3 LYS 47 -19.991 14.382 1.954 207 HD2 LYS 47 HD2 LYS 47 -20.200 15.033 -0.239 208 HD3 LYS 47 HD3 LYS 47 -19.190 13.715 -0.838 209 HE2 LYS 47 HE2 LYS 47 -21.422 12.508 0.362 210 HE3 LYS 47 HE3 LYS 47 -22.049 13.855 -0.586 211 HZ1 LYS 47 HZ1 LYS 47 -21.672 12.751 -2.455 212 HZ2 LYS 47 HZ2 LYS 47 -21.313 11.382 -1.529 213 HZ3 LYS 47 HZ3 LYS 47 -20.069 12.413 -2.029 214 H LEU 48 H LEU 48 -15.267 15.038 0.291 215 HA LEU 48 HA LEU 48 -13.791 15.174 2.764 216 HB2 LEU 48 HB2 LEU 48 -13.342 13.766 0.597 217 HB3 LEU 48 HB3 LEU 48 -12.485 15.216 0.082 218 HG LEU 48 HG LEU 48 -11.800 14.077 2.739 219 HD11 LEU 48 HD11 LEU 48 -11.893 12.078 1.391 220 HD12 LEU 48 HD12 LEU 48 -10.211 12.515 1.687 221 HD13 LEU 48 HD13 LEU 48 -10.947 12.853 0.120 222 HD21 LEU 48 HD21 LEU 48 -9.489 14.674 1.585 223 HD22 LEU 48 HD22 LEU 48 -10.498 15.903 2.349 224 HD23 LEU 48 HD23 LEU 48 -10.535 15.694 0.596 225 H LEU 49 H LEU 49 -15.032 17.463 0.717 226 HA LEU 49 HA LEU 49 -12.851 19.369 1.202 227 HB2 LEU 49 HB2 LEU 49 -13.477 19.226 -1.103 228 HB3 LEU 49 HB3 LEU 49 -15.181 19.426 -0.703 229 HG LEU 49 HG LEU 49 -14.752 21.739 -0.031 230 HD11 LEU 49 HD11 LEU 49 -12.553 22.751 -0.566 231 HD12 LEU 49 HD12 LEU 49 -11.921 21.133 -0.867 232 HD13 LEU 49 HD13 LEU 49 -12.485 21.573 0.745 233 HD21 LEU 49 HD21 LEU 49 -13.925 20.853 -2.774 234 HD22 LEU 49 HD22 LEU 49 -14.003 22.562 -2.343 235 HD23 LEU 49 HD23 LEU 49 -15.453 21.560 -2.251 236 H LEU 50 H LEU 50 -16.325 18.892 1.624 237 HA LEU 50 HA LEU 50 -16.782 21.403 2.891 238 HB2 LEU 50 HB2 LEU 50 -18.339 19.273 1.944 239 HB3 LEU 50 HB3 LEU 50 -18.679 19.385 3.669 240 HG LEU 50 HG LEU 50 -19.071 21.527 1.584 241 HD11 LEU 50 HD11 LEU 50 -20.709 19.471 2.240 242 HD12 LEU 50 HD12 LEU 50 -21.258 21.034 1.637 243 HD13 LEU 50 HD13 LEU 50 -21.250 20.711 3.371 244 HD21 LEU 50 HD21 LEU 50 -18.877 21.672 4.534 245 HD22 LEU 50 HD22 LEU 50 -20.183 22.578 3.770 246 HD23 LEU 50 HD23 LEU 50 -18.508 22.887 3.310 247 H ASN 51 H ASN 51 -15.422 18.461 3.931 248 HA ASN 51 HA ASN 51 -16.008 18.970 6.746 249 HB2 ASN 51 HB2 ASN 51 -15.287 16.636 5.160 250 HB3 ASN 51 HB3 ASN 51 -14.303 16.777 6.615 251 HD21 ASN 51 HD21 ASN 51 -17.652 16.857 5.491 252 HD22 ASN 51 HD22 ASN 51 -18.330 16.148 6.914 253 H GLY 52 H GLY 52 -14.147 20.576 4.946 254 HA2 GLY 52 HA2 GLY 52 -12.092 21.599 5.084 255 HA3 GLY 52 HA3 GLY 52 -12.296 21.390 6.817 256 H PHE 53 H PHE 53 -12.024 18.755 4.510 257 HA PHE 53 HA PHE 53 -9.463 18.028 5.769 258 HB2 PHE 53 HB2 PHE 53 -11.776 16.548 5.675 259 HB3 PHE 53 HB3 PHE 53 -10.870 15.909 4.308 260 HD1 PHE 53 HD1 PHE 53 -8.100 16.220 5.394 261 HD2 PHE 53 HD2 PHE 53 -11.678 14.764 7.182 262 HE1 PHE 53 HE1 PHE 53 -6.765 14.833 6.927 263 HE2 PHE 53 HE2 PHE 53 -10.350 13.376 8.718 264 HZ PHE 53 HZ PHE 53 -7.890 13.409 8.592 265 H ASP 54 H ASP 54 -10.411 19.559 3.175 266 HA ASP 54 HA ASP 54 -9.427 18.144 0.961 267 HB2 ASP 54 HB2 ASP 54 -9.674 20.115 -0.242 268 HB3 ASP 54 HB3 ASP 54 -10.793 20.366 1.096 269 H ASP 55 H ASP 55 -7.801 19.662 3.560 270 HA ASP 55 HA ASP 55 -5.401 20.475 2.462 271 HB2 ASP 55 HB2 ASP 55 -5.823 19.083 5.117 272 HB3 ASP 55 HB3 ASP 55 -4.406 20.031 4.672 273 H VAL 56 H VAL 56 -4.390 19.302 0.937 274 HA VAL 56 HA VAL 56 -4.222 16.456 0.982 275 HB VAL 56 HB VAL 56 -2.643 18.450 -0.650 276 HG11 VAL 56 HG11 VAL 56 -2.667 16.223 -2.144 277 HG12 VAL 56 HG12 VAL 56 -1.375 16.609 -1.004 278 HG13 VAL 56 HG13 VAL 56 -2.663 15.497 -0.537 279 HG21 VAL 56 HG21 VAL 56 -4.490 18.738 -1.847 280 HG22 VAL 56 HG22 VAL 56 -4.546 17.008 -2.180 281 HG23 VAL 56 HG23 VAL 56 -5.372 17.660 -0.765 282 H HIS 57 H HIS 57 -2.371 18.986 2.386 283 HA HIS 57 HA HIS 57 -0.026 17.295 2.769 284 HB2 HIS 57 HB2 HIS 57 -0.619 20.188 3.367 285 HB3 HIS 57 HB3 HIS 57 0.825 19.390 3.984 286 HD1 HIS 57 HD1 HIS 57 -0.832 20.192 0.668 287 HD2 HIS 57 HD2 HIS 57 2.917 19.342 2.243 288 HE1 HIS 57 HE1 HIS 57 0.787 20.539 -1.225 289 H PHE 58 H PHE 58 -2.795 17.016 4.087 290 HA PHE 58 HA PHE 58 -1.778 16.797 6.843 291 HB2 PHE 58 HB2 PHE 58 -3.938 18.371 5.943 292 HB3 PHE 58 HB3 PHE 58 -4.649 16.999 6.786 293 HD1 PHE 58 HD2 PHE 58 -1.581 19.041 7.370 294 HD2 PHE 58 HD1 PHE 58 -5.289 17.616 8.897 295 HE1 PHE 58 HE2 PHE 58 -1.105 20.125 9.527 296 HE2 PHE 58 HE1 PHE 58 -4.820 18.697 11.057 297 HZ PHE 58 HZ PHE 58 -2.725 19.953 11.375 298 H LEU 59 H LEU 59 -2.706 15.120 4.197 299 HA LEU 59 HA LEU 59 -4.454 13.151 5.157 300 HB2 LEU 59 HB2 LEU 59 -2.333 13.025 3.022 301 HB3 LEU 59 HB3 LEU 59 -3.510 11.746 3.316 302 HG LEU 59 HG LEU 59 -4.352 14.548 2.633 303 HD11 LEU 59 HD11 LEU 59 -4.266 14.129 0.365 304 HD12 LEU 59 HD12 LEU 59 -4.164 12.383 0.583 305 HD13 LEU 59 HD13 LEU 59 -2.765 13.399 0.933 306 HD21 LEU 59 HD21 LEU 59 -5.671 11.843 2.500 307 HD22 LEU 59 HD22 LEU 59 -6.357 13.310 1.802 308 HD23 LEU 59 HD23 LEU 59 -6.100 13.199 3.543 309 H GLY 60 H GLY 60 -0.922 13.357 5.207 310 HA2 GLY 60 HA2 GLY 60 -0.646 10.756 6.439 311 HA3 GLY 60 HA3 GLY 60 0.646 11.900 6.111 312 H SER 61 H SER 61 -0.994 14.026 7.512 313 HA SER 61 HA SER 61 0.100 13.529 10.138 314 HB2 SER 61 HB2 SER 61 0.039 15.779 8.820 315 HB3 SER 61 HB3 SER 61 -1.603 15.907 9.451 316 HG SER 61 HG SER 61 0.631 16.525 10.684 317 H ASN 62 H ASN 62 -3.126 14.611 9.059 318 HA ASN 62 HA ASN 62 -4.488 14.138 11.411 319 HB2 ASN 62 HB2 ASN 62 -5.218 15.132 9.037 320 HB3 ASN 62 HB3 ASN 62 -5.917 13.523 8.872 321 HD21 ASN 62 HD21 ASN 62 -6.195 16.601 10.300 322 HD22 ASN 62 HD22 ASN 62 -7.639 16.309 11.204 323 H VAL 63 H VAL 63 -5.824 12.432 12.145 324 HA VAL 63 HA VAL 63 -4.728 9.902 12.129 325 HB VAL 63 HB VAL 63 -6.304 10.496 13.832 326 HG11 VAL 63 HG11 VAL 63 -8.611 10.953 13.454 327 HG12 VAL 63 HG12 VAL 63 -7.688 11.966 12.342 328 HG13 VAL 63 HG13 VAL 63 -8.484 10.505 11.753 329 HG21 VAL 63 HG21 VAL 63 -7.755 8.537 13.845 330 HG22 VAL 63 HG22 VAL 63 -7.466 8.297 12.121 331 HG23 VAL 63 HG23 VAL 63 -6.141 8.117 13.271 332 H MET 64 H MET 64 -7.377 11.150 10.123 333 HA MET 64 HA MET 64 -8.437 10.294 8.292 334 HB2 MET 64 HB2 MET 64 -5.541 9.677 7.876 335 HB3 MET 64 HB3 MET 64 -6.717 9.071 6.717 336 HG2 MET 64 HG2 MET 64 -7.154 11.864 7.309 337 HG3 MET 64 HG3 MET 64 -5.516 11.566 6.732 338 HE1 MET 64 HE1 MET 64 -9.249 12.162 5.309 339 HE2 MET 64 HE2 MET 64 -9.411 10.569 4.570 340 HE3 MET 64 HE3 MET 64 -9.133 10.712 6.307 341 H GLU 65 H GLU 65 -9.191 8.767 10.260 342 HA GLU 65 HA GLU 65 -8.577 5.978 9.625 343 HB2 GLU 65 HB2 GLU 65 -9.239 7.392 12.021 344 HB3 GLU 65 HB3 GLU 65 -10.464 6.162 11.738 345 HG2 GLU 65 HG2 GLU 65 -8.417 4.605 11.347 346 HG3 GLU 65 HG3 GLU 65 -7.544 5.845 12.246 347 H GLU 66 H GLU 66 -10.587 4.483 9.899 348 HA GLU 66 HA GLU 66 -12.260 4.836 7.728 349 HB2 GLU 66 HB2 GLU 66 -13.718 3.101 8.815 350 HB3 GLU 66 HB3 GLU 66 -12.023 2.660 8.673 351 HG2 GLU 66 HG2 GLU 66 -11.726 3.401 11.046 352 HG3 GLU 66 HG3 GLU 66 -13.478 3.570 11.140 353 H GLN 67 H GLN 67 -12.938 5.527 11.148 354 HA GLN 67 HA GLN 67 -15.576 6.377 10.858 355 HB2 GLN 67 HB2 GLN 67 -13.749 6.189 12.940 356 HB3 GLN 67 HB3 GLN 67 -14.109 7.909 12.853 357 HG2 GLN 67 HG2 GLN 67 -15.692 7.147 14.336 358 HG3 GLN 67 HG3 GLN 67 -16.577 7.150 12.812 359 HE21 GLN 67 HE21 GLN 67 -18.008 5.637 13.816 360 HE22 GLN 67 HE22 GLN 67 -17.586 3.963 13.896 361 H ASP 68 H ASP 68 -12.550 8.107 10.402 362 HA ASP 68 HA ASP 68 -13.595 10.709 10.225 363 HB2 ASP 68 HB2 ASP 68 -11.071 9.483 9.944 364 HB3 ASP 68 HB3 ASP 68 -11.354 10.372 8.450 365 H LEU 69 H LEU 69 -13.040 8.238 7.748 366 HA LEU 69 HA LEU 69 -13.934 9.882 5.590 367 HB2 LEU 69 HB2 LEU 69 -13.956 6.898 5.485 368 HB3 LEU 69 HB3 LEU 69 -13.565 8.056 4.217 369 HG LEU 69 HG LEU 69 -11.832 7.189 6.523 370 HD11 LEU 69 HD11 LEU 69 -11.174 5.691 5.015 371 HD12 LEU 69 HD12 LEU 69 -10.439 7.036 4.144 372 HD13 LEU 69 HD13 LEU 69 -12.061 6.491 3.717 373 HD21 LEU 69 HD21 LEU 69 -10.202 8.775 5.157 374 HD22 LEU 69 HD22 LEU 69 -11.198 9.375 6.483 375 HD23 LEU 69 HD23 LEU 69 -11.716 9.612 4.813 376 H ARG 70 H ARG 70 -15.475 7.817 7.900 377 HA ARG 70 HA ARG 70 -17.903 7.463 6.408 378 HB2 ARG 70 HB2 ARG 70 -17.090 5.868 8.157 379 HB3 ARG 70 HB3 ARG 70 -17.447 7.089 9.371 380 HG2 ARG 70 HG2 ARG 70 -19.616 6.592 9.383 381 HG3 ARG 70 HG3 ARG 70 -19.704 6.557 7.621 382 HD2 ARG 70 HD2 ARG 70 -18.315 4.294 8.077 383 HD3 ARG 70 HD3 ARG 70 -19.283 4.364 9.548 384 HE ARG 70 HE ARG 70 -21.006 4.814 7.422 385 HH11 ARG 70 HH11 ARG 70 -18.940 2.264 8.584 386 HH12 ARG 70 HH12 ARG 70 -19.917 0.994 7.925 387 HH21 ARG 70 HH21 ARG 70 -22.301 3.150 6.549 388 HH22 ARG 70 HH22 ARG 70 -21.828 1.499 6.768 389 H ASP 71 H ASP 71 -16.756 9.638 8.930 390 HA ASP 71 HA ASP 71 -19.245 10.863 9.482 391 HB2 ASP 71 HB2 ASP 71 -17.564 11.164 11.109 392 HB3 ASP 71 HB3 ASP 71 -16.387 11.701 9.914 393 H ILE 72 H ILE 72 -16.724 11.498 7.121 394 HA ILE 72 HA ILE 72 -17.813 13.993 6.241 395 HB ILE 72 HB ILE 72 -16.246 13.785 4.351 396 HG12 ILE 72 HG12 ILE 72 -15.480 11.137 5.596 397 HG13 ILE 72 HG13 ILE 72 -16.434 11.307 4.126 398 HG21 ILE 72 HG21 ILE 72 -15.652 14.116 7.041 399 HG22 ILE 72 HG22 ILE 72 -14.410 13.015 6.448 400 HG23 ILE 72 HG23 ILE 72 -14.642 14.581 5.672 401 HD11 ILE 72 HD11 ILE 72 -14.145 10.821 3.574 402 HD12 ILE 72 HD12 ILE 72 -14.537 12.465 3.070 403 HD13 ILE 72 HD13 ILE 72 -13.587 12.192 4.531 404 H GLY 73 H GLY 73 -18.288 10.643 5.413 405 HA2 GLY 73 HA2 GLY 73 -20.690 10.605 4.344 406 HA3 GLY 73 HA3 GLY 73 -19.813 11.355 3.018 407 H ILE 74 H ILE 74 -17.398 9.872 3.296 408 HA ILE 74 HA ILE 74 -18.013 7.623 1.723 409 HB ILE 74 HB ILE 74 -15.472 8.084 3.286 410 HG12 ILE 74 HG12 ILE 74 -16.155 8.964 0.474 411 HG13 ILE 74 HG13 ILE 74 -16.105 10.030 1.873 412 HG21 ILE 74 HG21 ILE 74 -14.875 6.876 0.872 413 HG22 ILE 74 HG22 ILE 74 -14.929 6.092 2.450 414 HG23 ILE 74 HG23 ILE 74 -16.347 6.062 1.402 415 HD11 ILE 74 HD11 ILE 74 -13.965 10.381 1.463 416 HD12 ILE 74 HD12 ILE 74 -13.645 8.684 1.816 417 HD13 ILE 74 HD13 ILE 74 -13.983 9.192 0.162 418 H SER 75 H SER 75 -19.460 6.261 2.735 419 HA SER 75 HA SER 75 -18.528 4.956 5.205 420 HB2 SER 75 HB2 SER 75 -21.048 4.175 5.188 421 HB3 SER 75 HB3 SER 75 -20.613 5.781 5.773 422 HG SER 75 HG SER 75 -21.867 6.523 4.277 423 H ASP 76 H ASP 76 -18.226 4.474 2.095 424 HA ASP 76 HA ASP 76 -19.143 1.709 1.968 425 HB2 ASP 76 HB2 ASP 76 -18.398 3.774 0.027 426 HB3 ASP 76 HB3 ASP 76 -17.754 2.182 -0.365 427 HA PRO 77 HA PRO 77 -15.281 -0.107 2.998 428 HB2 PRO 77 HB2 PRO 77 -15.401 -2.391 1.535 429 HB3 PRO 77 HB3 PRO 77 -16.376 -2.127 2.984 430 HG2 PRO 77 HG2 PRO 77 -17.146 -1.838 0.106 431 HG3 PRO 77 HG3 PRO 77 -18.057 -2.569 1.439 432 HD2 PRO 77 HD2 PRO 77 -18.555 -0.066 0.534 433 HD3 PRO 77 HD3 PRO 77 -18.775 -0.527 2.234 434 H GLN 78 H GLN 78 -16.043 -0.289 -0.482 435 HA GLN 78 HA GLN 78 -13.304 -0.448 -1.269 436 HB2 GLN 78 HB2 GLN 78 -15.740 0.272 -2.908 437 HB3 GLN 78 HB3 GLN 78 -14.162 -0.160 -3.550 438 HG2 GLN 78 HG2 GLN 78 -15.875 -1.979 -1.874 439 HG3 GLN 78 HG3 GLN 78 -15.821 -1.992 -3.636 440 HE21 GLN 78 HE21 GLN 78 -13.800 -2.519 -4.655 441 HE22 GLN 78 HE22 GLN 78 -12.675 -3.554 -3.849 442 H HIS 79 H HIS 79 -15.180 2.081 -0.146 443 HA HIS 79 HA HIS 79 -13.636 4.103 -1.615 444 HB2 HIS 79 HB2 HIS 79 -16.153 4.355 0.041 445 HB3 HIS 79 HB3 HIS 79 -15.309 5.715 -0.693 446 HD1 HIS 79 HD1 HIS 79 -17.891 5.810 -1.766 447 HD2 HIS 79 HD2 HIS 79 -15.245 2.956 -3.220 448 HE1 HIS 79 HE1 HIS 79 -18.811 5.118 -4.001 449 H ARG 80 H ARG 80 -14.046 2.641 1.472 450 HA ARG 80 HA ARG 80 -12.721 4.786 2.909 451 HB2 ARG 80 HB2 ARG 80 -14.240 2.386 3.602 452 HB3 ARG 80 HB3 ARG 80 -12.821 2.616 4.616 453 HG2 ARG 80 HG2 ARG 80 -13.712 5.052 4.836 454 HG3 ARG 80 HG3 ARG 80 -15.241 4.333 4.324 455 HD2 ARG 80 HD2 ARG 80 -13.605 3.718 6.767 456 HD3 ARG 80 HD3 ARG 80 -15.274 4.276 6.676 457 HE ARG 80 HE ARG 80 -14.328 1.564 6.410 458 HH11 ARG 80 HH11 ARG 80 -16.926 3.798 5.789 459 HH12 ARG 80 HH12 ARG 80 -18.135 2.562 5.677 460 HH21 ARG 80 HH21 ARG 80 -15.911 -0.071 6.264 461 HH22 ARG 80 HH22 ARG 80 -17.558 0.362 5.949 462 H ARG 81 H ARG 81 -12.034 1.462 1.891 463 HA ARG 81 HA ARG 81 -9.436 1.374 3.049 464 HB2 ARG 81 HB2 ARG 81 -11.161 -0.455 1.847 465 HB3 ARG 81 HB3 ARG 81 -9.781 -0.381 0.760 466 HG2 ARG 81 HG2 ARG 81 -9.399 -0.747 3.706 467 HG3 ARG 81 HG3 ARG 81 -9.772 -2.114 2.654 468 HD2 ARG 81 HD2 ARG 81 -7.804 -1.164 1.219 469 HD3 ARG 81 HD3 ARG 81 -7.344 -0.378 2.729 470 HE ARG 81 HE ARG 81 -7.786 -3.044 3.326 471 HH11 ARG 81 HH11 ARG 81 -5.642 -1.182 1.311 472 HH12 ARG 81 HH12 ARG 81 -4.343 -2.323 1.414 473 HH21 ARG 81 HH21 ARG 81 -6.082 -4.555 3.469 474 HH22 ARG 81 HH22 ARG 81 -4.595 -4.242 2.642 475 H LYS 82 H LYS 82 -10.715 2.421 -0.026 476 HA LYS 82 HA LYS 82 -8.222 2.513 -1.403 477 HB2 LYS 82 HB2 LYS 82 -10.727 2.572 -2.275 478 HB3 LYS 82 HB3 LYS 82 -10.480 4.310 -2.166 479 HG2 LYS 82 HG2 LYS 82 -8.904 4.330 -3.837 480 HG3 LYS 82 HG3 LYS 82 -8.460 2.640 -3.586 481 HD2 LYS 82 HD2 LYS 82 -11.002 2.297 -4.332 482 HD3 LYS 82 HD3 LYS 82 -10.672 3.815 -5.172 483 HE2 LYS 82 HE2 LYS 82 -10.162 2.045 -6.680 484 HE3 LYS 82 HE3 LYS 82 -8.631 2.732 -6.137 485 HZ1 LYS 82 HZ1 LYS 82 -9.336 0.673 -4.382 486 HZ2 LYS 82 HZ2 LYS 82 -8.026 0.734 -5.449 487 HZ3 LYS 82 HZ3 LYS 82 -9.500 0.077 -5.957 488 H LEU 83 H LEU 83 -10.181 4.922 0.307 489 HA LEU 83 HA LEU 83 -8.443 7.104 -0.233 490 HB2 LEU 83 HB2 LEU 83 -10.931 7.034 0.574 491 HB3 LEU 83 HB3 LEU 83 -10.201 7.017 2.178 492 HG LEU 83 HG LEU 83 -8.926 9.125 0.971 493 HD11 LEU 83 HD11 LEU 83 -10.279 9.162 -0.974 494 HD12 LEU 83 HD12 LEU 83 -10.834 10.482 0.056 495 HD13 LEU 83 HD13 LEU 83 -11.759 8.983 -0.032 496 HD21 LEU 83 HD21 LEU 83 -10.420 10.517 2.368 497 HD22 LEU 83 HD22 LEU 83 -9.770 9.122 3.230 498 HD23 LEU 83 HD23 LEU 83 -11.434 9.101 2.645 499 H LEU 84 H LEU 84 -8.460 4.573 2.123 500 HA LEU 84 HA LEU 84 -6.643 5.913 3.926 501 HB2 LEU 84 HB2 LEU 84 -8.277 3.535 3.948 502 HB3 LEU 84 HB3 LEU 84 -6.645 3.184 4.511 503 HG LEU 84 HG LEU 84 -6.845 4.675 6.331 504 HD11 LEU 84 HD11 LEU 84 -8.882 5.917 4.654 505 HD12 LEU 84 HD12 LEU 84 -7.853 6.620 5.900 506 HD13 LEU 84 HD13 LEU 84 -9.344 5.794 6.351 507 HD21 LEU 84 HD21 LEU 84 -9.441 3.186 5.955 508 HD22 LEU 84 HD22 LEU 84 -8.889 3.878 7.481 509 HD23 LEU 84 HD23 LEU 84 -7.970 2.580 6.717 510 H GLN 85 H GLN 85 -6.467 3.702 1.249 511 HA GLN 85 HA GLN 85 -3.762 2.879 1.761 512 HB2 GLN 85 HB2 GLN 85 -5.668 1.691 0.388 513 HB3 GLN 85 HB3 GLN 85 -5.033 2.657 -0.936 514 HG2 GLN 85 HG2 GLN 85 -3.130 1.063 0.696 515 HG3 GLN 85 HG3 GLN 85 -4.159 0.227 -0.466 516 HE21 GLN 85 HE21 GLN 85 -1.261 1.761 -0.033 517 HE22 GLN 85 HE22 GLN 85 -0.867 2.087 -1.683 518 H ALA 86 H ALA 86 -5.352 5.127 -0.477 519 HA ALA 86 HA ALA 86 -2.919 5.966 -1.713 520 HB1 ALA 86 HB1 ALA 86 -5.347 7.686 -1.755 521 HB2 ALA 86 HB2 ALA 86 -4.215 7.297 -3.050 522 HB3 ALA 86 HB3 ALA 86 -5.412 6.107 -2.539 523 H ALA 87 H ALA 87 -4.514 6.767 1.205 524 HA ALA 87 HA ALA 87 -3.331 9.397 1.453 525 HB1 ALA 87 HB1 ALA 87 -5.401 9.308 2.489 526 HB2 ALA 87 HB2 ALA 87 -5.098 7.716 3.187 527 HB3 ALA 87 HB3 ALA 87 -4.285 9.137 3.844 528 H ARG 88 H ARG 88 -2.834 6.161 2.783 529 HA ARG 88 HA ARG 88 -0.714 6.988 4.533 530 HB2 ARG 88 HB2 ARG 88 -2.240 4.591 4.044 531 HB3 ARG 88 HB3 ARG 88 -0.523 4.214 4.105 532 HG2 ARG 88 HG2 ARG 88 -0.682 4.196 6.312 533 HG3 ARG 88 HG3 ARG 88 -0.968 5.936 6.252 534 HD2 ARG 88 HD2 ARG 88 -3.236 5.710 6.490 535 HD3 ARG 88 HD3 ARG 88 -3.261 4.106 5.759 536 HE ARG 88 HE ARG 88 -2.891 3.184 7.828 537 HH11 ARG 88 HH11 ARG 88 -2.328 6.616 7.963 538 HH12 ARG 88 HH12 ARG 88 -2.200 6.660 9.691 539 HH21 ARG 88 HH21 ARG 88 -2.724 3.227 10.103 540 HH22 ARG 88 HH22 ARG 88 -2.425 4.732 10.906 541 H SER 89 H SER 89 -0.971 6.027 1.237 542 HA SER 89 HA SER 89 1.717 5.132 0.893 543 HB2 SER 89 HB2 SER 89 0.010 4.413 -0.670 544 HB3 SER 89 HB3 SER 89 -0.341 6.084 -1.112 545 HG SER 89 HG SER 89 1.190 5.929 -2.524 546 H LEU 90 H LEU 90 0.413 8.155 1.447 547 HA LEU 90 HA LEU 90 2.102 9.734 -0.228 548 HB2 LEU 90 HB2 LEU 90 0.202 10.226 1.990 549 HB3 LEU 90 HB3 LEU 90 1.423 11.462 1.695 550 HG LEU 90 HG LEU 90 0.315 10.881 -0.813 551 HD11 LEU 90 HD11 LEU 90 -1.967 10.829 -0.627 552 HD12 LEU 90 HD12 LEU 90 -1.965 11.544 0.984 553 HD13 LEU 90 HD13 LEU 90 -1.509 9.854 0.770 554 HD21 LEU 90 HD21 LEU 90 0.319 13.126 1.126 555 HD22 LEU 90 HD22 LEU 90 -0.821 13.206 -0.218 556 HD23 LEU 90 HD23 LEU 90 0.909 13.059 -0.535 557 HA PRO 91 HA PRO 91 5.827 9.958 2.079 558 HB2 PRO 91 HB2 PRO 91 6.512 12.574 1.839 559 HB3 PRO 91 HB3 PRO 91 6.610 11.428 0.496 560 HG2 PRO 91 HG2 PRO 91 4.480 13.437 1.120 561 HG3 PRO 91 HG3 PRO 91 5.215 13.035 -0.443 562 HD2 PRO 91 HD2 PRO 91 2.797 12.083 0.318 563 HD3 PRO 91 HD3 PRO 91 3.903 11.159 -0.718 564 H LYS 92 H LYS 92 6.986 11.384 3.795 565 HA LYS 92 HA LYS 92 7.026 11.998 5.990 566 HB2 LYS 92 HB2 LYS 92 4.691 13.623 4.982 567 HB3 LYS 92 HB3 LYS 92 5.365 13.813 6.595 568 HG2 LYS 92 HG2 LYS 92 6.572 15.417 5.581 569 HG3 LYS 92 HG3 LYS 92 7.608 14.054 5.152 570 HD2 LYS 92 HD2 LYS 92 7.344 14.745 3.038 571 HD3 LYS 92 HD3 LYS 92 5.734 14.031 3.149 572 HE2 LYS 92 HE2 LYS 92 6.472 16.905 3.692 573 HE3 LYS 92 HE3 LYS 92 5.588 16.294 2.294 574 HZ1 LYS 92 HZ1 LYS 92 4.659 16.803 4.990 575 HZ2 LYS 92 HZ2 LYS 92 4.094 15.365 4.302 576 HZ3 LYS 92 HZ3 LYS 92 3.812 16.842 3.526 577 H VAL 93 H VAL 93 5.964 9.541 5.762 578 HA VAL 93 HA VAL 93 3.458 9.472 7.257 579 HB VAL 93 HB VAL 93 3.697 7.954 5.342 580 HG11 VAL 93 HG11 VAL 93 5.489 6.059 6.611 581 HG12 VAL 93 HG12 VAL 93 5.500 6.698 4.967 582 HG13 VAL 93 HG13 VAL 93 6.279 7.597 6.269 583 HG21 VAL 93 HG21 VAL 93 3.655 6.387 7.915 584 HG22 VAL 93 HG22 VAL 93 2.308 7.372 7.345 585 HG23 VAL 93 HG23 VAL 93 2.850 5.988 6.398 586 H LYS 94 H LYS 94 3.230 8.499 9.269 587 HA LYS 94 HA LYS 94 3.854 8.226 11.455 588 HB2 LYS 94 HB2 LYS 94 5.196 6.299 11.841 589 HB3 LYS 94 HB3 LYS 94 4.303 6.001 10.356 590 HG2 LYS 94 HG2 LYS 94 6.204 6.320 9.019 591 HG3 LYS 94 HG3 LYS 94 7.105 7.074 10.336 592 HD2 LYS 94 HD2 LYS 94 8.013 4.944 10.269 593 HD3 LYS 94 HD3 LYS 94 6.781 4.789 11.525 594 HE2 LYS 94 HE2 LYS 94 5.996 3.052 10.371 595 HE3 LYS 94 HE3 LYS 94 5.420 4.220 9.183 596 HZ1 LYS 94 HZ1 LYS 94 7.376 2.241 8.864 597 HZ2 LYS 94 HZ2 LYS 94 8.129 3.745 8.690 598 HZ3 LYS 94 HZ3 LYS 94 6.806 3.345 7.717 599 H ALA 95 H ALA 95 6.311 7.695 12.653 600 HA ALA 95 HA ALA 95 7.580 10.315 12.407 601 HB1 ALA 95 HB1 ALA 95 8.316 8.336 14.515 602 HB2 ALA 95 HB2 ALA 95 8.279 10.098 14.589 603 HB3 ALA 95 HB3 ALA 95 6.772 9.182 14.616 604 H LEU 96 H LEU 96 8.225 8.866 10.251 605 HA LEU 96 HA LEU 96 11.061 8.670 10.440 606 HB2 LEU 96 HB2 LEU 96 10.130 6.449 11.352 607 HB3 LEU 96 HB3 LEU 96 9.711 6.104 9.676 608 HG LEU 96 HG LEU 96 12.139 6.400 9.108 609 HD11 LEU 96 HD11 LEU 96 13.728 6.164 11.001 610 HD12 LEU 96 HD12 LEU 96 12.387 6.448 12.110 611 HD13 LEU 96 HD13 LEU 96 12.875 7.708 10.977 612 HD21 LEU 96 HD21 LEU 96 11.370 4.233 11.059 613 HD22 LEU 96 HD22 LEU 96 12.799 4.199 10.026 614 HD23 LEU 96 HD23 LEU 96 11.189 4.194 9.305 615 H GLY 97 H GLY 97 12.067 8.642 8.418 616 HA2 GLY 97 HA2 GLY 97 10.534 8.211 6.012 617 HA3 GLY 97 HA3 GLY 97 10.901 9.903 6.314 618 H TYR 98 H TYR 98 11.782 8.120 4.143 619 HA TYR 98 HA TYR 98 14.681 8.465 4.515 620 HB2 TYR 98 HB2 TYR 98 14.919 6.432 2.985 621 HB3 TYR 98 HB3 TYR 98 14.409 6.124 4.641 622 HD1 TYR 98 HD2 TYR 98 13.249 6.327 1.142 623 HD2 TYR 98 HD1 TYR 98 12.287 5.155 5.117 624 HE1 TYR 98 HE2 TYR 98 11.274 5.124 0.303 625 HE2 TYR 98 HE1 TYR 98 10.311 3.947 4.289 626 HH TYR 98 HH TYR 98 9.283 3.149 2.437 627 H ASP 99 H ASP 99 12.830 10.293 3.331 628 HA ASP 99 HA ASP 99 12.586 10.192 0.581 629 HB2 ASP 99 HB2 ASP 99 11.929 12.016 2.464 630 HB3 ASP 99 HB3 ASP 99 13.294 12.836 1.710 631 H GLY 100 H GLY 100 14.047 9.984 -0.972 632 HA2 GLY 100 HA2 GLY 100 16.463 11.572 -0.952 633 HA3 GLY 100 HA3 GLY 100 16.740 9.845 -0.782 634 H ASN 101 H ASN 101 14.351 11.599 -2.739 635 HA ASN 101 HA ASN 101 14.983 9.970 -5.028 636 HB2 ASN 101 HB2 ASN 101 12.823 11.710 -4.199 637 HB3 ASN 101 HB3 ASN 101 13.307 12.057 -5.857 638 HD21 ASN 101 HD21 ASN 101 12.121 9.601 -3.676 639 HD22 ASN 101 HD22 ASN 101 11.495 8.548 -4.894 Start of MODEL 15 1 H MET 21 H MET 21 8.874 -4.333 -3.143 2 HA MET 21 HA MET 21 6.949 -4.757 -1.335 3 HB2 MET 21 HB2 MET 21 7.689 -3.377 0.678 4 HB3 MET 21 HB3 MET 21 8.379 -4.988 0.525 5 HG2 MET 21 HG2 MET 21 10.003 -2.994 -0.798 6 HG3 MET 21 HG3 MET 21 9.754 -2.622 0.907 7 HE1 MET 21 HE1 MET 21 11.935 -3.704 -1.367 8 HE2 MET 21 HE2 MET 21 13.014 -4.883 -0.622 9 HE3 MET 21 HE3 MET 21 11.611 -5.429 -1.542 10 H ILE 22 H ILE 22 9.138 -2.424 -2.686 11 HA ILE 22 HA ILE 22 6.930 -0.475 -2.801 12 HB ILE 22 HB ILE 22 9.858 0.245 -2.757 13 HG12 ILE 22 HG12 ILE 22 9.217 -0.779 -0.616 14 HG13 ILE 22 HG13 ILE 22 9.519 0.945 -0.432 15 HG21 ILE 22 HG21 ILE 22 8.596 1.944 -3.812 16 HG22 ILE 22 HG22 ILE 22 7.310 1.835 -2.612 17 HG23 ILE 22 HG23 ILE 22 8.880 2.499 -2.162 18 HD11 ILE 22 HD11 ILE 22 6.779 0.660 -0.991 19 HD12 ILE 22 HD12 ILE 22 7.189 -0.553 0.223 20 HD13 ILE 22 HD13 ILE 22 7.541 1.148 0.523 21 H SER 23 H SER 23 6.162 -0.647 -4.819 22 HA SER 23 HA SER 23 8.078 -0.344 -7.030 23 HB2 SER 23 HB2 SER 23 6.255 -1.797 -8.299 24 HB3 SER 23 HB3 SER 23 7.560 -2.561 -7.392 25 HG SER 23 HG SER 23 4.996 -1.998 -6.316 26 H GLY 24 H GLY 24 7.689 1.696 -7.662 27 HA2 GLY 24 HA2 GLY 24 5.588 2.453 -9.222 28 HA3 GLY 24 HA3 GLY 24 5.051 2.847 -7.596 29 H LEU 25 H LEU 25 5.019 5.060 -7.959 30 HA LEU 25 HA LEU 25 7.564 6.369 -7.644 31 HB2 LEU 25 HB2 LEU 25 7.291 7.860 -9.577 32 HB3 LEU 25 HB3 LEU 25 7.542 6.179 -10.042 33 HG LEU 25 HG LEU 25 4.807 6.384 -10.021 34 HD11 LEU 25 HD11 LEU 25 4.669 8.497 -11.617 35 HD12 LEU 25 HD12 LEU 25 5.992 9.043 -10.585 36 HD13 LEU 25 HD13 LEU 25 4.435 8.621 -9.872 37 HD21 LEU 25 HD21 LEU 25 5.481 6.937 -12.623 38 HD22 LEU 25 HD22 LEU 25 5.435 5.334 -11.889 39 HD23 LEU 25 HD23 LEU 25 6.959 6.218 -11.980 40 H ARG 26 H ARG 26 7.352 8.627 -7.103 41 HA ARG 26 HA ARG 26 4.982 9.145 -5.577 42 HB2 ARG 26 HB2 ARG 26 7.663 10.264 -5.816 43 HB3 ARG 26 HB3 ARG 26 6.433 11.507 -5.632 44 HG2 ARG 26 HG2 ARG 26 7.004 11.073 -3.449 45 HG3 ARG 26 HG3 ARG 26 5.601 10.024 -3.669 46 HD2 ARG 26 HD2 ARG 26 6.874 8.105 -3.712 47 HD3 ARG 26 HD3 ARG 26 8.323 8.954 -4.247 48 HE ARG 26 HE ARG 26 7.491 8.497 -1.547 49 HH11 ARG 26 HH11 ARG 26 9.270 10.639 -3.636 50 HH12 ARG 26 HH12 ARG 26 10.290 11.238 -2.369 51 HH21 ARG 26 HH21 ARG 26 8.827 9.277 0.129 52 HH22 ARG 26 HH22 ARG 26 10.037 10.462 -0.229 53 H THR 27 H THR 27 4.049 11.471 -5.720 54 HA THR 27 HA THR 27 3.587 12.151 -8.549 55 HB THR 27 HB THR 27 1.243 12.749 -7.926 56 HG1 THR 27 HG1 THR 27 1.851 11.330 -5.528 57 HG21 THR 27 HG21 THR 27 1.012 10.757 -8.940 58 HG22 THR 27 HG22 THR 27 0.779 10.117 -7.313 59 HG23 THR 27 HG23 THR 27 2.373 10.053 -8.065 60 H LEU 28 H LEU 28 2.241 14.369 -8.521 61 HA LEU 28 HA LEU 28 2.862 16.249 -6.501 62 HB2 LEU 28 HB2 LEU 28 4.409 17.641 -7.950 63 HB3 LEU 28 HB3 LEU 28 5.096 16.207 -7.189 64 HG LEU 28 HG LEU 28 4.142 15.541 -9.810 65 HD11 LEU 28 HD11 LEU 28 4.697 18.131 -9.901 66 HD12 LEU 28 HD12 LEU 28 5.125 17.034 -11.214 67 HD13 LEU 28 HD13 LEU 28 6.344 17.514 -10.034 68 HD21 LEU 28 HD21 LEU 28 6.133 14.442 -9.940 69 HD22 LEU 28 HD22 LEU 28 6.029 14.636 -8.189 70 HD23 LEU 28 HD23 LEU 28 7.029 15.735 -9.141 71 H GLU 29 H GLU 29 2.605 18.592 -7.482 72 HA GLU 29 HA GLU 29 0.962 20.013 -8.223 73 HB2 GLU 29 HB2 GLU 29 0.818 20.129 -10.637 74 HB3 GLU 29 HB3 GLU 29 2.477 19.784 -10.165 75 HG2 GLU 29 HG2 GLU 29 2.344 17.567 -10.881 76 HG3 GLU 29 HG3 GLU 29 0.582 17.592 -10.924 77 H GLN 30 H GLN 30 -0.126 17.727 -6.968 78 HA GLN 30 HA GLN 30 -2.597 17.358 -8.530 79 HB2 GLN 30 HB2 GLN 30 -1.526 15.234 -8.412 80 HB3 GLN 30 HB3 GLN 30 -1.165 15.435 -6.703 81 HG2 GLN 30 HG2 GLN 30 -3.434 15.144 -6.096 82 HG3 GLN 30 HG3 GLN 30 -3.965 15.265 -7.773 83 HE21 GLN 30 HE21 GLN 30 -2.877 13.211 -5.294 84 HE22 GLN 30 HE22 GLN 30 -2.833 11.743 -6.203 85 H SER 31 H SER 31 -4.564 17.435 -7.427 86 HA SER 31 HA SER 31 -4.417 18.500 -4.682 87 HB2 SER 31 HB2 SER 31 -5.394 19.795 -6.985 88 HB3 SER 31 HB3 SER 31 -6.817 19.335 -6.051 89 HG SER 31 HG SER 31 -5.540 21.429 -5.605 90 H VAL 32 H VAL 32 -7.055 18.561 -4.037 91 HA VAL 32 HA VAL 32 -7.601 15.932 -3.272 92 HB VAL 32 HB VAL 32 -9.535 18.243 -3.497 93 HG11 VAL 32 HG11 VAL 32 -10.872 17.019 -1.843 94 HG12 VAL 32 HG12 VAL 32 -10.703 16.114 -3.349 95 HG13 VAL 32 HG13 VAL 32 -9.742 15.669 -1.938 96 HG21 VAL 32 HG21 VAL 32 -9.091 18.523 -1.087 97 HG22 VAL 32 HG22 VAL 32 -7.852 17.272 -1.188 98 HG23 VAL 32 HG23 VAL 32 -7.652 18.784 -2.073 99 H GLY 33 H GLY 33 -9.302 17.901 -5.722 100 HA2 GLY 33 HA2 GLY 33 -11.022 15.944 -6.672 101 HA3 GLY 33 HA3 GLY 33 -10.420 17.287 -7.632 102 H GLU 34 H GLU 34 -7.922 16.874 -8.179 103 HA GLU 34 HA GLU 34 -7.857 14.882 -10.102 104 HB2 GLU 34 HB2 GLU 34 -6.290 16.649 -10.280 105 HB3 GLU 34 HB3 GLU 34 -5.649 16.345 -8.671 106 HG2 GLU 34 HG2 GLU 34 -4.135 15.624 -10.472 107 HG3 GLU 34 HG3 GLU 34 -4.618 14.307 -9.405 108 H TRP 35 H TRP 35 -6.487 14.830 -6.824 109 HA TRP 35 HA TRP 35 -5.288 12.340 -6.874 110 HB2 TRP 35 HB2 TRP 35 -4.953 13.787 -4.990 111 HB3 TRP 35 HB3 TRP 35 -6.673 13.782 -4.609 112 HD1 TRP 35 HD1 TRP 35 -4.594 10.613 -5.326 113 HE1 TRP 35 HE1 TRP 35 -4.638 9.130 -3.222 114 HE3 TRP 35 HE3 TRP 35 -7.064 13.774 -2.158 115 HZ2 TRP 35 HZ2 TRP 35 -5.593 9.282 -0.571 116 HZ3 TRP 35 HZ3 TRP 35 -7.503 13.029 0.146 117 HH2 TRP 35 HH2 TRP 35 -6.783 10.829 0.921 118 H LEU 36 H LEU 36 -8.604 13.092 -5.793 119 HA LEU 36 HA LEU 36 -9.361 10.393 -5.431 120 HB2 LEU 36 HB2 LEU 36 -11.088 12.808 -5.953 121 HB3 LEU 36 HB3 LEU 36 -11.652 11.254 -5.343 122 HG LEU 36 HG LEU 36 -9.595 12.801 -3.818 123 HD11 LEU 36 HD11 LEU 36 -12.572 13.226 -3.624 124 HD12 LEU 36 HD12 LEU 36 -11.422 14.372 -4.311 125 HD13 LEU 36 HD13 LEU 36 -11.335 13.955 -2.600 126 HD21 LEU 36 HD21 LEU 36 -9.834 11.004 -2.529 127 HD22 LEU 36 HD22 LEU 36 -11.234 10.445 -3.443 128 HD23 LEU 36 HD23 LEU 36 -11.443 11.605 -2.131 129 H GLU 37 H GLU 37 -9.307 12.498 -8.199 130 HA GLU 37 HA GLU 37 -11.088 11.037 -9.844 131 HB2 GLU 37 HB2 GLU 37 -9.389 13.335 -10.093 132 HB3 GLU 37 HB3 GLU 37 -9.148 12.283 -11.481 133 HG2 GLU 37 HG2 GLU 37 -11.946 12.526 -10.920 134 HG3 GLU 37 HG3 GLU 37 -11.214 14.124 -11.052 135 H SER 38 H SER 38 -7.727 10.665 -9.032 136 HA SER 38 HA SER 38 -7.040 8.938 -11.193 137 HB2 SER 38 HB2 SER 38 -5.503 10.301 -9.563 138 HB3 SER 38 HB3 SER 38 -5.616 8.858 -8.554 139 HG SER 38 HG SER 38 -4.137 8.056 -9.796 140 H ILE 39 H ILE 39 -8.665 8.503 -8.190 141 HA ILE 39 HA ILE 39 -8.386 5.584 -8.378 142 HB ILE 39 HB ILE 39 -9.240 5.479 -6.100 143 HG12 ILE 39 HG12 ILE 39 -9.268 8.502 -6.150 144 HG13 ILE 39 HG13 ILE 39 -10.709 7.501 -6.299 145 HG21 ILE 39 HG21 ILE 39 -7.224 5.891 -5.202 146 HG22 ILE 39 HG22 ILE 39 -6.765 6.305 -6.853 147 HG23 ILE 39 HG23 ILE 39 -7.226 7.576 -5.721 148 HD11 ILE 39 HD11 ILE 39 -8.876 7.248 -3.947 149 HD12 ILE 39 HD12 ILE 39 -10.144 8.473 -4.009 150 HD13 ILE 39 HD13 ILE 39 -10.565 6.764 -4.099 151 H GLY 40 H GLY 40 -10.582 8.168 -8.866 152 HA2 GLY 40 HA2 GLY 40 -12.601 7.916 -10.075 153 HA3 GLY 40 HA3 GLY 40 -12.668 6.237 -9.565 154 H LEU 41 H LEU 41 -11.974 8.672 -7.209 155 HA LEU 41 HA LEU 41 -14.697 8.355 -6.132 156 HB2 LEU 41 HB2 LEU 41 -12.507 7.475 -4.921 157 HB3 LEU 41 HB3 LEU 41 -12.439 9.148 -4.374 158 HG LEU 41 HG LEU 41 -15.068 8.275 -3.893 159 HD11 LEU 41 HD11 LEU 41 -14.802 6.034 -3.821 160 HD12 LEU 41 HD12 LEU 41 -14.182 6.391 -2.210 161 HD13 LEU 41 HD13 LEU 41 -13.063 6.135 -3.548 162 HD21 LEU 41 HD21 LEU 41 -12.707 8.667 -2.056 163 HD22 LEU 41 HD22 LEU 41 -14.389 8.550 -1.534 164 HD23 LEU 41 HD23 LEU 41 -13.871 9.893 -2.557 165 H GLN 42 H GLN 42 -13.160 10.449 -7.882 166 HA GLN 42 HA GLN 42 -12.981 12.863 -6.525 167 HB2 GLN 42 HB2 GLN 42 -12.397 12.233 -8.988 168 HB3 GLN 42 HB3 GLN 42 -14.041 12.754 -9.328 169 HG2 GLN 42 HG2 GLN 42 -12.710 14.705 -7.705 170 HG3 GLN 42 HG3 GLN 42 -11.743 14.336 -9.132 171 HE21 GLN 42 HE21 GLN 42 -15.109 14.987 -8.220 172 HE22 GLN 42 HE22 GLN 42 -15.474 15.962 -9.597 173 H GLN 43 H GLN 43 -15.773 11.070 -7.471 174 HA GLN 43 HA GLN 43 -17.672 13.149 -7.536 175 HB2 GLN 43 HB2 GLN 43 -19.343 11.387 -7.244 176 HB3 GLN 43 HB3 GLN 43 -18.130 10.913 -8.426 177 HG2 GLN 43 HG2 GLN 43 -17.158 9.961 -6.004 178 HG3 GLN 43 HG3 GLN 43 -18.892 9.643 -5.952 179 HE21 GLN 43 HE21 GLN 43 -16.624 7.803 -6.180 180 HE22 GLN 43 HE22 GLN 43 -16.901 6.889 -7.620 181 H TYR 44 H TYR 44 -16.285 11.288 -4.910 182 HA TYR 44 HA TYR 44 -18.121 12.416 -2.964 183 HB2 TYR 44 HB2 TYR 44 -16.372 10.140 -3.082 184 HB3 TYR 44 HB3 TYR 44 -15.995 11.094 -1.651 185 HD1 TYR 44 HD1 TYR 44 -18.611 12.118 -0.850 186 HD2 TYR 44 HD2 TYR 44 -17.536 8.277 -2.331 187 HE1 TYR 44 HE1 TYR 44 -20.539 11.135 0.317 188 HE2 TYR 44 HE2 TYR 44 -19.463 7.284 -1.169 189 HH TYR 44 HH TYR 44 -21.862 8.342 -0.346 190 H GLU 45 H GLU 45 -15.729 13.754 -4.571 191 HA GLU 45 HA GLU 45 -13.851 14.718 -2.777 192 HB2 GLU 45 HB2 GLU 45 -13.567 15.108 -5.123 193 HB3 GLU 45 HB3 GLU 45 -15.070 16.016 -5.213 194 HG2 GLU 45 HG2 GLU 45 -14.079 17.755 -3.784 195 HG3 GLU 45 HG3 GLU 45 -12.565 16.853 -3.772 196 H SER 46 H SER 46 -17.036 16.054 -3.587 197 HA SER 46 HA SER 46 -16.983 18.400 -2.158 198 HB2 SER 46 HB2 SER 46 -19.458 18.123 -1.920 199 HB3 SER 46 HB3 SER 46 -18.873 17.843 -3.559 200 HG SER 46 HG SER 46 -19.889 16.015 -3.374 201 H LYS 47 H LYS 47 -17.715 15.149 -0.961 202 HA LYS 47 HA LYS 47 -18.366 15.894 1.676 203 HB2 LYS 47 HB2 LYS 47 -17.608 13.371 0.298 204 HB3 LYS 47 HB3 LYS 47 -17.465 13.403 2.050 205 HG2 LYS 47 HG2 LYS 47 -19.604 12.526 1.520 206 HG3 LYS 47 HG3 LYS 47 -19.844 14.156 2.152 207 HD2 LYS 47 HD2 LYS 47 -19.488 14.314 -0.673 208 HD3 LYS 47 HD3 LYS 47 -20.707 13.085 -0.325 209 HE2 LYS 47 HE2 LYS 47 -22.079 14.883 -0.311 210 HE3 LYS 47 HE3 LYS 47 -21.522 15.005 1.357 211 HZ1 LYS 47 HZ1 LYS 47 -21.325 16.938 -0.572 212 HZ2 LYS 47 HZ2 LYS 47 -19.753 16.325 -0.444 213 HZ3 LYS 47 HZ3 LYS 47 -20.537 16.931 0.926 214 H LEU 48 H LEU 48 -15.303 14.906 0.190 215 HA LEU 48 HA LEU 48 -13.829 15.104 2.640 216 HB2 LEU 48 HB2 LEU 48 -13.335 13.716 0.493 217 HB3 LEU 48 HB3 LEU 48 -12.564 15.199 -0.067 218 HG LEU 48 HG LEU 48 -11.745 14.172 2.592 219 HD11 LEU 48 HD11 LEU 48 -10.141 12.617 1.542 220 HD12 LEU 48 HD12 LEU 48 -10.960 12.853 -0.002 221 HD13 LEU 48 HD13 LEU 48 -11.819 12.110 1.347 222 HD21 LEU 48 HD21 LEU 48 -9.500 14.782 1.295 223 HD22 LEU 48 HD22 LEU 48 -10.498 16.002 2.087 224 HD23 LEU 48 HD23 LEU 48 -10.628 15.748 0.345 225 H LEU 49 H LEU 49 -15.126 17.392 0.629 226 HA LEU 49 HA LEU 49 -12.998 19.346 1.168 227 HB2 LEU 49 HB2 LEU 49 -13.480 19.320 -1.130 228 HB3 LEU 49 HB3 LEU 49 -15.219 19.248 -0.847 229 HG LEU 49 HG LEU 49 -15.192 21.573 -0.086 230 HD11 LEU 49 HD11 LEU 49 -12.848 21.509 0.777 231 HD12 LEU 49 HD12 LEU 49 -13.238 22.934 -0.185 232 HD13 LEU 49 HD13 LEU 49 -12.292 21.626 -0.893 233 HD21 LEU 49 HD21 LEU 49 -15.657 21.226 -2.400 234 HD22 LEU 49 HD22 LEU 49 -13.943 21.045 -2.775 235 HD23 LEU 49 HD23 LEU 49 -14.575 22.613 -2.274 236 H LEU 50 H LEU 50 -16.346 18.578 1.759 237 HA LEU 50 HA LEU 50 -16.824 21.128 3.087 238 HB2 LEU 50 HB2 LEU 50 -18.439 19.117 1.845 239 HB3 LEU 50 HB3 LEU 50 -18.983 19.361 3.503 240 HG LEU 50 HG LEU 50 -20.152 20.719 1.719 241 HD11 LEU 50 HD11 LEU 50 -18.809 22.056 4.057 242 HD12 LEU 50 HD12 LEU 50 -20.416 21.332 4.000 243 HD13 LEU 50 HD13 LEU 50 -20.083 22.810 3.098 244 HD21 LEU 50 HD21 LEU 50 -17.848 21.232 0.626 245 HD22 LEU 50 HD22 LEU 50 -17.780 22.536 1.813 246 HD23 LEU 50 HD23 LEU 50 -19.102 22.473 0.645 247 H ASN 51 H ASN 51 -15.048 18.754 4.014 248 HA ASN 51 HA ASN 51 -16.087 18.726 6.768 249 HB2 ASN 51 HB2 ASN 51 -15.185 16.468 5.058 250 HB3 ASN 51 HB3 ASN 51 -14.716 16.423 6.755 251 HD21 ASN 51 HD21 ASN 51 -17.413 16.513 4.533 252 HD22 ASN 51 HD22 ASN 51 -18.591 15.901 5.638 253 H GLY 52 H GLY 52 -14.046 20.373 5.283 254 HA2 GLY 52 HA2 GLY 52 -11.943 21.232 5.632 255 HA3 GLY 52 HA3 GLY 52 -12.225 20.798 7.312 256 H PHE 53 H PHE 53 -11.703 18.859 4.370 257 HA PHE 53 HA PHE 53 -9.297 17.735 5.626 258 HB2 PHE 53 HB2 PHE 53 -11.682 16.351 5.462 259 HB3 PHE 53 HB3 PHE 53 -10.802 15.790 4.045 260 HD1 PHE 53 HD1 PHE 53 -8.038 15.787 4.988 261 HD2 PHE 53 HD2 PHE 53 -11.612 14.605 6.974 262 HE1 PHE 53 HE1 PHE 53 -6.739 14.248 6.402 263 HE2 PHE 53 HE2 PHE 53 -10.319 13.066 8.393 264 HZ PHE 53 HZ PHE 53 -7.880 12.886 8.108 265 H ASP 54 H ASP 54 -10.363 19.480 3.183 266 HA ASP 54 HA ASP 54 -9.386 18.198 0.863 267 HB2 ASP 54 HB2 ASP 54 -9.824 20.185 -0.253 268 HB3 ASP 54 HB3 ASP 54 -10.914 20.302 1.125 269 H ASP 55 H ASP 55 -7.802 19.693 3.488 270 HA ASP 55 HA ASP 55 -5.474 20.660 2.251 271 HB2 ASP 55 HB2 ASP 55 -6.174 19.776 5.021 272 HB3 ASP 55 HB3 ASP 55 -4.482 20.052 4.620 273 H VAL 56 H VAL 56 -4.547 19.330 0.766 274 HA VAL 56 HA VAL 56 -4.229 16.562 0.966 275 HB VAL 56 HB VAL 56 -2.478 18.521 -0.527 276 HG11 VAL 56 HG11 VAL 56 -2.542 15.575 -0.369 277 HG12 VAL 56 HG12 VAL 56 -2.400 16.266 -1.987 278 HG13 VAL 56 HG13 VAL 56 -1.208 16.665 -0.749 279 HG21 VAL 56 HG21 VAL 56 -4.190 18.819 -1.907 280 HG22 VAL 56 HG22 VAL 56 -4.244 17.084 -2.221 281 HG23 VAL 56 HG23 VAL 56 -5.195 17.772 -0.904 282 H HIS 57 H HIS 57 -2.535 19.112 2.517 283 HA HIS 57 HA HIS 57 -0.223 17.454 3.143 284 HB2 HIS 57 HB2 HIS 57 -0.928 20.336 3.533 285 HB3 HIS 57 HB3 HIS 57 0.324 19.617 4.541 286 HD1 HIS 57 HD1 HIS 57 1.780 17.889 2.489 287 HD2 HIS 57 HD2 HIS 57 0.523 21.778 1.749 288 HE1 HIS 57 HE1 HIS 57 3.243 18.723 0.621 289 H PHE 58 H PHE 58 -3.146 17.202 4.179 290 HA PHE 58 HA PHE 58 -2.431 17.017 7.032 291 HB2 PHE 58 HB2 PHE 58 -4.630 18.323 5.783 292 HB3 PHE 58 HB3 PHE 58 -5.264 16.948 6.681 293 HD1 PHE 58 HD1 PHE 58 -2.459 19.307 7.363 294 HD2 PHE 58 HD2 PHE 58 -6.190 17.708 8.642 295 HE1 PHE 58 HE1 PHE 58 -2.295 20.602 9.449 296 HE2 PHE 58 HE2 PHE 58 -6.033 19.000 10.730 297 HZ PHE 58 HZ PHE 58 -4.084 20.451 11.135 298 H LEU 59 H LEU 59 -3.314 15.320 4.240 299 HA LEU 59 HA LEU 59 -4.826 13.194 5.133 300 HB2 LEU 59 HB2 LEU 59 -2.531 12.924 3.206 301 HB3 LEU 59 HB3 LEU 59 -3.998 11.950 3.279 302 HG LEU 59 HG LEU 59 -3.770 14.821 2.382 303 HD11 LEU 59 HD11 LEU 59 -4.228 12.210 0.980 304 HD12 LEU 59 HD12 LEU 59 -3.041 13.465 0.627 305 HD13 LEU 59 HD13 LEU 59 -4.747 13.743 0.278 306 HD21 LEU 59 HD21 LEU 59 -5.838 14.443 3.650 307 HD22 LEU 59 HD22 LEU 59 -6.225 13.081 2.597 308 HD23 LEU 59 HD23 LEU 59 -6.154 14.715 1.937 309 H GLY 60 H GLY 60 -1.287 13.541 5.209 310 HA2 GLY 60 HA2 GLY 60 -0.996 11.032 6.639 311 HA3 GLY 60 HA3 GLY 60 0.300 12.113 6.150 312 H SER 61 H SER 61 -2.072 13.906 7.636 313 HA SER 61 HA SER 61 -0.573 13.872 10.167 314 HB2 SER 61 HB2 SER 61 -1.468 15.998 8.484 315 HB3 SER 61 HB3 SER 61 -2.312 16.125 10.026 316 HG SER 61 HG SER 61 0.366 16.461 9.434 317 H ASN 62 H ASN 62 -3.895 14.678 9.139 318 HA ASN 62 HA ASN 62 -5.145 14.285 11.566 319 HB2 ASN 62 HB2 ASN 62 -5.999 14.320 8.740 320 HB3 ASN 62 HB3 ASN 62 -7.092 13.485 9.841 321 HD21 ASN 62 HD21 ASN 62 -8.665 15.074 9.524 322 HD22 ASN 62 HD22 ASN 62 -8.543 16.632 10.263 323 H VAL 63 H VAL 63 -6.543 12.542 12.303 324 HA VAL 63 HA VAL 63 -5.261 10.108 12.569 325 HB VAL 63 HB VAL 63 -7.001 10.712 14.106 326 HG11 VAL 63 HG11 VAL 63 -8.375 11.936 12.398 327 HG12 VAL 63 HG12 VAL 63 -9.017 10.371 11.896 328 HG13 VAL 63 HG13 VAL 63 -9.297 10.956 13.537 329 HG21 VAL 63 HG21 VAL 63 -7.824 8.291 12.505 330 HG22 VAL 63 HG22 VAL 63 -6.622 8.324 13.796 331 HG23 VAL 63 HG23 VAL 63 -8.318 8.645 14.161 332 H MET 64 H MET 64 -7.839 11.003 10.298 333 HA MET 64 HA MET 64 -8.702 9.935 8.474 334 HB2 MET 64 HB2 MET 64 -6.347 10.594 7.780 335 HB3 MET 64 HB3 MET 64 -5.888 8.923 8.078 336 HG2 MET 64 HG2 MET 64 -6.368 8.636 5.919 337 HG3 MET 64 HG3 MET 64 -8.041 8.587 6.471 338 HE1 MET 64 HE1 MET 64 -9.580 11.851 5.467 339 HE2 MET 64 HE2 MET 64 -9.844 10.141 5.123 340 HE3 MET 64 HE3 MET 64 -9.468 10.662 6.765 341 H GLU 65 H GLU 65 -9.476 8.495 10.498 342 HA GLU 65 HA GLU 65 -8.629 5.721 10.081 343 HB2 GLU 65 HB2 GLU 65 -9.491 7.233 12.361 344 HB3 GLU 65 HB3 GLU 65 -10.580 5.872 12.125 345 HG2 GLU 65 HG2 GLU 65 -8.824 5.221 13.612 346 HG3 GLU 65 HG3 GLU 65 -8.628 4.363 12.085 347 H GLU 66 H GLU 66 -10.720 4.222 10.656 348 HA GLU 66 HA GLU 66 -12.267 4.203 8.338 349 HB2 GLU 66 HB2 GLU 66 -13.718 2.577 9.567 350 HB3 GLU 66 HB3 GLU 66 -12.003 2.188 9.607 351 HG2 GLU 66 HG2 GLU 66 -11.904 3.272 11.862 352 HG3 GLU 66 HG3 GLU 66 -13.663 3.377 11.811 353 H GLN 67 H GLN 67 -13.092 5.352 11.596 354 HA GLN 67 HA GLN 67 -15.736 6.126 10.978 355 HB2 GLN 67 HB2 GLN 67 -14.168 6.021 13.265 356 HB3 GLN 67 HB3 GLN 67 -14.477 7.739 13.052 357 HG2 GLN 67 HG2 GLN 67 -16.246 7.103 14.364 358 HG3 GLN 67 HG3 GLN 67 -16.942 6.994 12.747 359 HE21 GLN 67 HE21 GLN 67 -17.973 5.658 14.966 360 HE22 GLN 67 HE22 GLN 67 -17.786 3.958 14.723 361 H ASP 68 H ASP 68 -12.679 7.915 11.017 362 HA ASP 68 HA ASP 68 -13.595 10.476 10.562 363 HB2 ASP 68 HB2 ASP 68 -11.158 9.464 10.810 364 HB3 ASP 68 HB3 ASP 68 -11.189 9.559 9.051 365 H LEU 69 H LEU 69 -13.156 7.850 8.253 366 HA LEU 69 HA LEU 69 -13.731 9.450 5.953 367 HB2 LEU 69 HB2 LEU 69 -13.977 6.462 6.139 368 HB3 LEU 69 HB3 LEU 69 -13.642 7.440 4.712 369 HG LEU 69 HG LEU 69 -11.628 7.675 6.829 370 HD11 LEU 69 HD11 LEU 69 -10.879 5.555 6.965 371 HD12 LEU 69 HD12 LEU 69 -11.374 5.158 5.320 372 HD13 LEU 69 HD13 LEU 69 -12.563 5.162 6.621 373 HD21 LEU 69 HD21 LEU 69 -10.312 8.142 5.082 374 HD22 LEU 69 HD22 LEU 69 -11.811 8.237 4.159 375 HD23 LEU 69 HD23 LEU 69 -10.871 6.743 4.165 376 H ARG 70 H ARG 70 -15.605 7.562 8.207 377 HA ARG 70 HA ARG 70 -17.976 7.470 6.604 378 HB2 ARG 70 HB2 ARG 70 -17.423 5.832 8.419 379 HB3 ARG 70 HB3 ARG 70 -17.731 7.105 9.592 380 HG2 ARG 70 HG2 ARG 70 -19.947 6.871 9.441 381 HG3 ARG 70 HG3 ARG 70 -19.906 6.711 7.684 382 HD2 ARG 70 HD2 ARG 70 -18.827 4.365 8.317 383 HD3 ARG 70 HD3 ARG 70 -19.754 4.628 9.793 384 HE ARG 70 HE ARG 70 -21.295 5.042 7.414 385 HH11 ARG 70 HH11 ARG 70 -20.105 2.651 9.646 386 HH12 ARG 70 HH12 ARG 70 -21.369 1.516 9.306 387 HH21 ARG 70 HH21 ARG 70 -22.964 3.555 6.957 388 HH22 ARG 70 HH22 ARG 70 -22.994 2.030 7.776 389 H ASP 71 H ASP 71 -16.768 9.529 9.201 390 HA ASP 71 HA ASP 71 -19.107 11.016 9.644 391 HB2 ASP 71 HB2 ASP 71 -17.160 11.045 11.161 392 HB3 ASP 71 HB3 ASP 71 -16.233 11.914 9.941 393 H ILE 72 H ILE 72 -16.515 11.370 7.294 394 HA ILE 72 HA ILE 72 -17.461 13.898 6.307 395 HB ILE 72 HB ILE 72 -15.804 13.593 4.512 396 HG12 ILE 72 HG12 ILE 72 -14.977 11.025 5.849 397 HG13 ILE 72 HG13 ILE 72 -16.139 11.034 4.527 398 HG21 ILE 72 HG21 ILE 72 -14.464 12.821 7.076 399 HG22 ILE 72 HG22 ILE 72 -13.937 13.967 5.843 400 HG23 ILE 72 HG23 ILE 72 -15.277 14.378 6.913 401 HD11 ILE 72 HD11 ILE 72 -13.784 10.567 3.864 402 HD12 ILE 72 HD12 ILE 72 -14.529 11.928 3.023 403 HD13 ILE 72 HD13 ILE 72 -13.384 12.219 4.333 404 H GLY 73 H GLY 73 -18.198 10.594 5.729 405 HA2 GLY 73 HA2 GLY 73 -20.458 10.529 4.507 406 HA3 GLY 73 HA3 GLY 73 -19.546 11.270 3.199 407 H ILE 74 H ILE 74 -17.154 9.807 3.462 408 HA ILE 74 HA ILE 74 -17.723 7.555 1.902 409 HB ILE 74 HB ILE 74 -15.240 8.001 3.563 410 HG12 ILE 74 HG12 ILE 74 -15.875 8.892 0.741 411 HG13 ILE 74 HG13 ILE 74 -15.733 9.946 2.145 412 HG21 ILE 74 HG21 ILE 74 -14.469 6.124 2.670 413 HG22 ILE 74 HG22 ILE 74 -16.040 5.857 1.917 414 HG23 ILE 74 HG23 ILE 74 -14.784 6.737 1.047 415 HD11 ILE 74 HD11 ILE 74 -13.711 9.084 0.367 416 HD12 ILE 74 HD12 ILE 74 -13.568 10.149 1.766 417 HD13 ILE 74 HD13 ILE 74 -13.361 8.408 1.957 418 H SER 75 H SER 75 -19.067 6.032 2.706 419 HA SER 75 HA SER 75 -18.321 4.786 5.270 420 HB2 SER 75 HB2 SER 75 -20.713 4.041 5.385 421 HB3 SER 75 HB3 SER 75 -20.506 5.791 5.458 422 HG SER 75 HG SER 75 -21.771 5.876 3.797 423 H ASP 76 H ASP 76 -18.388 4.363 1.961 424 HA ASP 76 HA ASP 76 -19.030 1.573 1.859 425 HB2 ASP 76 HB2 ASP 76 -18.253 3.669 -0.034 426 HB3 ASP 76 HB3 ASP 76 -17.569 2.093 -0.422 427 HA PRO 77 HA PRO 77 -15.183 -0.214 2.988 428 HB2 PRO 77 HB2 PRO 77 -15.219 -2.472 1.481 429 HB3 PRO 77 HB3 PRO 77 -16.249 -2.247 2.900 430 HG2 PRO 77 HG2 PRO 77 -16.919 -1.917 0.001 431 HG3 PRO 77 HG3 PRO 77 -17.868 -2.683 1.288 432 HD2 PRO 77 HD2 PRO 77 -18.368 -0.171 0.409 433 HD3 PRO 77 HD3 PRO 77 -18.641 -0.665 2.091 434 H GLN 78 H GLN 78 -15.820 -0.330 -0.519 435 HA GLN 78 HA GLN 78 -13.050 -0.436 -1.206 436 HB2 GLN 78 HB2 GLN 78 -13.888 -0.013 -3.529 437 HB3 GLN 78 HB3 GLN 78 -14.624 -1.397 -2.733 438 HG2 GLN 78 HG2 GLN 78 -16.663 -0.522 -2.859 439 HG3 GLN 78 HG3 GLN 78 -16.113 1.059 -2.306 440 HE21 GLN 78 HE21 GLN 78 -17.930 0.112 -4.519 441 HE22 GLN 78 HE22 GLN 78 -17.350 0.931 -5.925 442 H HIS 79 H HIS 79 -15.000 2.038 -0.105 443 HA HIS 79 HA HIS 79 -13.443 4.109 -1.490 444 HB2 HIS 79 HB2 HIS 79 -16.038 4.287 0.052 445 HB3 HIS 79 HB3 HIS 79 -15.187 5.676 -0.616 446 HD1 HIS 79 HD1 HIS 79 -17.705 5.758 -1.817 447 HD2 HIS 79 HD2 HIS 79 -14.960 2.952 -3.179 448 HE1 HIS 79 HE1 HIS 79 -18.507 5.089 -4.104 449 H ARG 80 H ARG 80 -13.880 2.553 1.526 450 HA ARG 80 HA ARG 80 -12.706 4.716 3.069 451 HB2 ARG 80 HB2 ARG 80 -14.161 2.249 3.647 452 HB3 ARG 80 HB3 ARG 80 -12.786 2.497 4.714 453 HG2 ARG 80 HG2 ARG 80 -13.785 4.910 4.931 454 HG3 ARG 80 HG3 ARG 80 -15.269 4.106 4.411 455 HD2 ARG 80 HD2 ARG 80 -13.564 3.366 6.788 456 HD3 ARG 80 HD3 ARG 80 -15.134 4.167 6.836 457 HE ARG 80 HE ARG 80 -15.129 1.604 5.508 458 HH11 ARG 80 HH11 ARG 80 -15.519 3.304 8.521 459 HH12 ARG 80 HH12 ARG 80 -16.456 2.047 9.260 460 HH21 ARG 80 HH21 ARG 80 -16.363 -0.057 6.469 461 HH22 ARG 80 HH22 ARG 80 -16.934 0.136 8.091 462 H ARG 81 H ARG 81 -11.861 1.443 2.006 463 HA ARG 81 HA ARG 81 -9.295 1.442 3.245 464 HB2 ARG 81 HB2 ARG 81 -10.776 -0.547 2.396 465 HB3 ARG 81 HB3 ARG 81 -9.945 -0.265 0.872 466 HG2 ARG 81 HG2 ARG 81 -8.824 -2.000 2.104 467 HG3 ARG 81 HG3 ARG 81 -7.789 -0.573 2.016 468 HD2 ARG 81 HD2 ARG 81 -8.221 0.002 4.262 469 HD3 ARG 81 HD3 ARG 81 -9.584 -1.112 4.365 470 HE ARG 81 HE ARG 81 -8.116 -2.782 4.883 471 HH11 ARG 81 HH11 ARG 81 -6.358 -0.160 3.416 472 HH12 ARG 81 HH12 ARG 81 -4.804 -0.866 3.707 473 HH21 ARG 81 HH21 ARG 81 -6.076 -3.723 5.273 474 HH22 ARG 81 HH22 ARG 81 -4.644 -2.894 4.763 475 H LYS 82 H LYS 82 -10.524 2.402 0.111 476 HA LYS 82 HA LYS 82 -8.007 2.609 -1.191 477 HB2 LYS 82 HB2 LYS 82 -10.503 2.602 -2.110 478 HB3 LYS 82 HB3 LYS 82 -10.288 4.344 -2.009 479 HG2 LYS 82 HG2 LYS 82 -8.883 4.404 -3.760 480 HG3 LYS 82 HG3 LYS 82 -8.092 2.891 -3.311 481 HD2 LYS 82 HD2 LYS 82 -10.801 2.370 -4.093 482 HD3 LYS 82 HD3 LYS 82 -9.990 3.313 -5.346 483 HE2 LYS 82 HE2 LYS 82 -8.422 1.093 -4.214 484 HE3 LYS 82 HE3 LYS 82 -9.851 0.619 -5.131 485 HZ1 LYS 82 HZ1 LYS 82 -9.029 2.002 -6.975 486 HZ2 LYS 82 HZ2 LYS 82 -7.969 0.741 -6.588 487 HZ3 LYS 82 HZ3 LYS 82 -7.618 2.322 -6.097 488 H LEU 83 H LEU 83 -10.108 4.975 0.421 489 HA LEU 83 HA LEU 83 -8.424 7.203 -0.049 490 HB2 LEU 83 HB2 LEU 83 -10.946 6.930 0.810 491 HB3 LEU 83 HB3 LEU 83 -10.142 7.178 2.359 492 HG LEU 83 HG LEU 83 -9.135 9.213 0.793 493 HD11 LEU 83 HD11 LEU 83 -11.825 8.445 -0.150 494 HD12 LEU 83 HD12 LEU 83 -10.526 9.294 -0.985 495 HD13 LEU 83 HD13 LEU 83 -11.557 10.162 0.152 496 HD21 LEU 83 HD21 LEU 83 -11.570 9.402 2.555 497 HD22 LEU 83 HD22 LEU 83 -10.366 10.650 2.234 498 HD23 LEU 83 HD23 LEU 83 -9.929 9.222 3.173 499 H LEU 84 H LEU 84 -8.339 4.632 2.233 500 HA LEU 84 HA LEU 84 -6.603 6.050 4.081 501 HB2 LEU 84 HB2 LEU 84 -8.205 3.641 4.122 502 HB3 LEU 84 HB3 LEU 84 -6.583 3.350 4.747 503 HG LEU 84 HG LEU 84 -6.880 4.891 6.510 504 HD11 LEU 84 HD11 LEU 84 -7.879 6.745 5.445 505 HD12 LEU 84 HD12 LEU 84 -9.019 6.223 6.686 506 HD13 LEU 84 HD13 LEU 84 -9.307 5.812 4.994 507 HD21 LEU 84 HD21 LEU 84 -9.445 3.356 6.113 508 HD22 LEU 84 HD22 LEU 84 -8.913 4.072 7.635 509 HD23 LEU 84 HD23 LEU 84 -7.979 2.769 6.897 510 H GLN 85 H GLN 85 -6.382 3.775 1.458 511 HA GLN 85 HA GLN 85 -3.664 3.012 2.021 512 HB2 GLN 85 HB2 GLN 85 -5.550 1.726 0.704 513 HB3 GLN 85 HB3 GLN 85 -4.920 2.633 -0.665 514 HG2 GLN 85 HG2 GLN 85 -3.112 1.029 1.102 515 HG3 GLN 85 HG3 GLN 85 -3.999 0.287 -0.228 516 HE21 GLN 85 HE21 GLN 85 -1.116 1.518 0.593 517 HE22 GLN 85 HE22 GLN 85 -0.551 2.044 -0.952 518 H ALA 86 H ALA 86 -5.304 5.159 -0.267 519 HA ALA 86 HA ALA 86 -2.888 5.972 -1.568 520 HB1 ALA 86 HB1 ALA 86 -4.210 7.250 -2.943 521 HB2 ALA 86 HB2 ALA 86 -5.368 6.029 -2.410 522 HB3 ALA 86 HB3 ALA 86 -5.365 7.627 -1.664 523 H ALA 87 H ALA 87 -4.478 6.863 1.324 524 HA ALA 87 HA ALA 87 -3.341 9.523 1.454 525 HB1 ALA 87 HB1 ALA 87 -5.489 9.259 2.446 526 HB2 ALA 87 HB2 ALA 87 -4.937 7.898 3.424 527 HB3 ALA 87 HB3 ALA 87 -4.334 9.523 3.754 528 H ARG 88 H ARG 88 -2.823 6.373 2.990 529 HA ARG 88 HA ARG 88 -0.690 7.313 4.656 530 HB2 ARG 88 HB2 ARG 88 -0.470 5.067 5.387 531 HB3 ARG 88 HB3 ARG 88 -2.191 5.337 5.151 532 HG2 ARG 88 HG2 ARG 88 -1.856 4.306 2.838 533 HG3 ARG 88 HG3 ARG 88 -0.296 3.755 3.454 534 HD2 ARG 88 HD2 ARG 88 -1.820 2.921 5.462 535 HD3 ARG 88 HD3 ARG 88 -3.045 2.910 4.194 536 HE ARG 88 HE ARG 88 -2.033 1.070 3.292 537 HH11 ARG 88 HH11 ARG 88 0.191 2.627 5.472 538 HH12 ARG 88 HH12 ARG 88 1.375 1.367 5.371 539 HH21 ARG 88 HH21 ARG 88 -0.482 -0.596 3.152 540 HH22 ARG 88 HH22 ARG 88 0.992 -0.465 4.050 541 H SER 89 H SER 89 -0.959 6.211 1.416 542 HA SER 89 HA SER 89 1.712 5.269 1.093 543 HB2 SER 89 HB2 SER 89 0.057 4.503 -0.465 544 HB3 SER 89 HB3 SER 89 -0.387 6.155 -0.896 545 HG SER 89 HG SER 89 0.959 5.543 -2.488 546 H LEU 90 H LEU 90 0.453 8.332 1.545 547 HA LEU 90 HA LEU 90 2.106 9.859 -0.184 548 HB2 LEU 90 HB2 LEU 90 0.364 10.396 2.151 549 HB3 LEU 90 HB3 LEU 90 1.592 11.603 1.774 550 HG LEU 90 HG LEU 90 0.437 11.216 -0.666 551 HD11 LEU 90 HD11 LEU 90 -1.934 11.395 1.119 552 HD12 LEU 90 HD12 LEU 90 -1.267 9.803 0.761 553 HD13 LEU 90 HD13 LEU 90 -1.813 10.846 -0.553 554 HD21 LEU 90 HD21 LEU 90 0.975 13.317 0.720 555 HD22 LEU 90 HD22 LEU 90 -0.688 13.188 1.293 556 HD23 LEU 90 HD23 LEU 90 -0.362 13.390 -0.430 557 HA PRO 91 HA PRO 91 5.975 9.995 1.880 558 HB2 PRO 91 HB2 PRO 91 6.704 12.594 1.592 559 HB3 PRO 91 HB3 PRO 91 6.690 11.447 0.248 560 HG2 PRO 91 HG2 PRO 91 4.651 13.505 1.003 561 HG3 PRO 91 HG3 PRO 91 5.276 13.086 -0.603 562 HD2 PRO 91 HD2 PRO 91 2.890 12.191 0.312 563 HD3 PRO 91 HD3 PRO 91 3.905 11.242 -0.792 564 H LYS 92 H LYS 92 7.273 11.371 3.525 565 HA LYS 92 HA LYS 92 7.467 11.988 5.709 566 HB2 LYS 92 HB2 LYS 92 5.159 13.689 4.787 567 HB3 LYS 92 HB3 LYS 92 5.825 13.827 6.409 568 HG2 LYS 92 HG2 LYS 92 7.002 15.462 5.345 569 HG3 LYS 92 HG3 LYS 92 8.091 14.094 5.103 570 HD2 LYS 92 HD2 LYS 92 7.808 14.131 2.884 571 HD3 LYS 92 HD3 LYS 92 6.057 14.313 3.027 572 HE2 LYS 92 HE2 LYS 92 6.222 16.658 3.230 573 HE3 LYS 92 HE3 LYS 92 7.959 16.589 3.520 574 HZ1 LYS 92 HZ1 LYS 92 8.103 17.056 1.355 575 HZ2 LYS 92 HZ2 LYS 92 6.511 16.590 1.027 576 HZ3 LYS 92 HZ3 LYS 92 7.734 15.425 1.105 577 H VAL 93 H VAL 93 6.456 9.574 5.695 578 HA VAL 93 HA VAL 93 4.254 9.658 7.653 579 HB VAL 93 HB VAL 93 3.547 8.709 5.458 580 HG11 VAL 93 HG11 VAL 93 4.391 6.617 4.684 581 HG12 VAL 93 HG12 VAL 93 5.775 7.680 4.951 582 HG13 VAL 93 HG13 VAL 93 5.389 6.420 6.125 583 HG21 VAL 93 HG21 VAL 93 2.272 6.990 6.396 584 HG22 VAL 93 HG22 VAL 93 3.543 6.540 7.533 585 HG23 VAL 93 HG23 VAL 93 2.642 8.038 7.765 586 H LYS 94 H LYS 94 4.491 8.482 9.487 587 HA LYS 94 HA LYS 94 7.114 7.570 10.166 588 HB2 LYS 94 HB2 LYS 94 5.309 8.641 11.691 589 HB3 LYS 94 HB3 LYS 94 4.657 7.012 11.802 590 HG2 LYS 94 HG2 LYS 94 6.910 6.260 12.592 591 HG3 LYS 94 HG3 LYS 94 7.373 7.961 12.673 592 HD2 LYS 94 HD2 LYS 94 5.175 8.164 14.095 593 HD3 LYS 94 HD3 LYS 94 5.428 6.435 14.344 594 HE2 LYS 94 HE2 LYS 94 7.259 6.754 15.634 595 HE3 LYS 94 HE3 LYS 94 7.794 8.159 14.713 596 HZ1 LYS 94 HZ1 LYS 94 5.433 8.874 15.988 597 HZ2 LYS 94 HZ2 LYS 94 6.996 9.426 16.325 598 HZ3 LYS 94 HZ3 LYS 94 6.377 8.084 17.149 599 H ALA 95 H ALA 95 7.439 5.897 8.602 600 HA ALA 95 HA ALA 95 6.642 3.312 9.582 601 HB1 ALA 95 HB1 ALA 95 5.967 2.915 6.958 602 HB2 ALA 95 HB2 ALA 95 4.827 3.125 8.289 603 HB3 ALA 95 HB3 ALA 95 5.284 4.507 7.292 604 H LEU 96 H LEU 96 7.483 1.582 7.884 605 HA LEU 96 HA LEU 96 10.278 1.938 7.727 606 HB2 LEU 96 HB2 LEU 96 8.385 -0.117 6.643 607 HB3 LEU 96 HB3 LEU 96 10.105 -0.172 6.263 608 HG LEU 96 HG LEU 96 9.658 0.063 9.114 609 HD11 LEU 96 HD11 LEU 96 8.622 -2.042 9.534 610 HD12 LEU 96 HD12 LEU 96 8.560 -2.420 7.813 611 HD13 LEU 96 HD13 LEU 96 7.558 -1.125 8.467 612 HD21 LEU 96 HD21 LEU 96 10.819 -2.392 8.027 613 HD22 LEU 96 HD22 LEU 96 11.491 -1.221 9.163 614 HD23 LEU 96 HD23 LEU 96 11.571 -0.913 7.428 615 H GLY 97 H GLY 97 11.225 3.328 6.381 616 HA2 GLY 97 HA2 GLY 97 11.729 3.186 3.817 617 HA3 GLY 97 HA3 GLY 97 10.071 3.763 3.721 618 H TYR 98 H TYR 98 9.572 5.855 4.585 619 HA TYR 98 HA TYR 98 11.722 7.730 4.152 620 HB2 TYR 98 HB2 TYR 98 9.329 8.028 3.343 621 HB3 TYR 98 HB3 TYR 98 8.903 8.377 5.014 622 HD1 TYR 98 HD2 TYR 98 10.789 9.566 2.083 623 HD2 TYR 98 HD1 TYR 98 9.463 10.480 6.022 624 HE1 TYR 98 HE2 TYR 98 11.419 11.919 1.743 625 HE2 TYR 98 HE1 TYR 98 10.089 12.836 5.692 626 HH TYR 98 HH TYR 98 11.701 13.911 2.731 627 H ASP 99 H ASP 99 13.140 7.689 5.833 628 HA ASP 99 HA ASP 99 12.178 7.809 8.570 629 HB2 ASP 99 HB2 ASP 99 14.613 7.008 7.258 630 HB3 ASP 99 HB3 ASP 99 14.972 8.184 8.520 631 H GLY 100 H GLY 100 12.224 9.561 9.886 632 HA2 GLY 100 HA2 GLY 100 13.455 12.029 8.854 633 HA3 GLY 100 HA3 GLY 100 11.773 12.045 9.363 634 H ASN 101 H ASN 101 11.570 13.009 11.262 635 HA ASN 101 HA ASN 101 11.927 13.652 13.414 636 HB2 ASN 101 HB2 ASN 101 12.356 10.875 13.324 637 HB3 ASN 101 HB3 ASN 101 13.677 11.526 14.290 638 HD21 ASN 101 HD21 ASN 101 13.180 12.708 16.180 639 HD22 ASN 101 HD22 ASN 101 11.668 12.495 16.987 Start of MODEL 16 1 H MET 21 H MET 21 9.899 -2.409 3.602 2 HA MET 21 HA MET 21 11.221 -0.669 2.967 3 HB2 MET 21 HB2 MET 21 11.406 -2.478 0.609 4 HB3 MET 21 HB3 MET 21 11.967 -0.823 0.415 5 HG2 MET 21 HG2 MET 21 13.885 -1.364 1.361 6 HG3 MET 21 HG3 MET 21 13.035 -1.804 2.840 7 HE1 MET 21 HE1 MET 21 14.701 -3.372 -0.539 8 HE2 MET 21 HE2 MET 21 15.589 -2.702 0.831 9 HE3 MET 21 HE3 MET 21 15.593 -4.442 0.543 10 H ILE 22 H ILE 22 9.912 1.069 3.075 11 HA ILE 22 HA ILE 22 7.696 1.591 1.455 12 HB ILE 22 HB ILE 22 8.035 2.742 3.574 13 HG12 ILE 22 HG12 ILE 22 8.081 4.799 1.365 14 HG13 ILE 22 HG13 ILE 22 6.690 3.766 1.676 15 HG21 ILE 22 HG21 ILE 22 9.703 4.423 3.903 16 HG22 ILE 22 HG22 ILE 22 10.508 2.962 3.332 17 HG23 ILE 22 HG23 ILE 22 10.228 4.304 2.224 18 HD11 ILE 22 HD11 ILE 22 6.096 5.603 2.871 19 HD12 ILE 22 HD12 ILE 22 6.978 4.718 4.118 20 HD13 ILE 22 HD13 ILE 22 7.763 6.036 3.249 21 H SER 23 H SER 23 11.082 2.110 0.914 22 HA SER 23 HA SER 23 12.265 2.875 -0.873 23 HB2 SER 23 HB2 SER 23 11.528 2.162 -2.904 24 HB3 SER 23 HB3 SER 23 10.280 1.371 -1.941 25 HG SER 23 HG SER 23 8.967 2.513 -3.117 26 H GLY 24 H GLY 24 12.207 4.633 -2.689 27 HA2 GLY 24 HA2 GLY 24 11.412 7.083 -1.377 28 HA3 GLY 24 HA3 GLY 24 12.326 6.946 -2.871 29 H LEU 25 H LEU 25 10.822 5.745 -4.632 30 HA LEU 25 HA LEU 25 9.091 6.002 -6.084 31 HB2 LEU 25 HB2 LEU 25 7.950 5.553 -3.620 32 HB3 LEU 25 HB3 LEU 25 7.140 7.018 -4.172 33 HG LEU 25 HG LEU 25 7.025 5.321 -6.362 34 HD11 LEU 25 HD11 LEU 25 7.777 3.498 -4.824 35 HD12 LEU 25 HD12 LEU 25 6.210 3.223 -5.586 36 HD13 LEU 25 HD13 LEU 25 6.292 3.746 -3.904 37 HD21 LEU 25 HD21 LEU 25 4.827 5.475 -4.338 38 HD22 LEU 25 HD22 LEU 25 4.731 5.508 -6.100 39 HD23 LEU 25 HD23 LEU 25 5.333 6.916 -5.222 40 H ARG 26 H ARG 26 7.353 7.663 -6.820 41 HA ARG 26 HA ARG 26 8.589 10.318 -6.607 42 HB2 ARG 26 HB2 ARG 26 7.413 8.795 -8.786 43 HB3 ARG 26 HB3 ARG 26 6.718 10.405 -8.664 44 HG2 ARG 26 HG2 ARG 26 8.488 10.739 -10.096 45 HG3 ARG 26 HG3 ARG 26 9.184 11.188 -8.538 46 HD2 ARG 26 HD2 ARG 26 10.676 9.528 -8.618 47 HD3 ARG 26 HD3 ARG 26 9.457 8.352 -9.102 48 HE ARG 26 HE ARG 26 9.975 9.905 -11.330 49 HH11 ARG 26 HH11 ARG 26 11.742 7.758 -9.234 50 HH12 ARG 26 HH12 ARG 26 12.848 7.252 -10.468 51 HH21 ARG 26 HH21 ARG 26 11.425 9.247 -12.963 52 HH22 ARG 26 HH22 ARG 26 12.666 8.101 -12.589 53 H THR 27 H THR 27 7.429 12.107 -6.027 54 HA THR 27 HA THR 27 4.691 11.615 -5.053 55 HB THR 27 HB THR 27 5.072 13.461 -3.446 56 HG1 THR 27 HG1 THR 27 6.752 14.692 -3.774 57 HG21 THR 27 HG21 THR 27 5.423 11.523 -2.306 58 HG22 THR 27 HG22 THR 27 7.068 12.154 -2.231 59 HG23 THR 27 HG23 THR 27 6.640 10.947 -3.443 60 H LEU 28 H LEU 28 3.412 13.741 -4.871 61 HA LEU 28 HA LEU 28 4.030 15.772 -6.812 62 HB2 LEU 28 HB2 LEU 28 2.129 13.588 -7.396 63 HB3 LEU 28 HB3 LEU 28 1.591 15.219 -7.797 64 HG LEU 28 HG LEU 28 4.241 14.819 -8.804 65 HD11 LEU 28 HD11 LEU 28 3.819 12.464 -8.831 66 HD12 LEU 28 HD12 LEU 28 3.679 13.070 -10.481 67 HD13 LEU 28 HD13 LEU 28 2.227 12.708 -9.548 68 HD21 LEU 28 HD21 LEU 28 2.858 16.471 -9.748 69 HD22 LEU 28 HD22 LEU 28 1.527 15.339 -9.985 70 HD23 LEU 28 HD23 LEU 28 2.981 15.212 -10.976 71 H GLU 29 H GLU 29 1.974 17.249 -7.059 72 HA GLU 29 HA GLU 29 0.847 17.579 -4.358 73 HB2 GLU 29 HB2 GLU 29 2.381 19.362 -5.786 74 HB3 GLU 29 HB3 GLU 29 0.746 19.914 -6.125 75 HG2 GLU 29 HG2 GLU 29 1.211 19.319 -3.309 76 HG3 GLU 29 HG3 GLU 29 2.245 20.596 -3.946 77 H GLN 30 H GLN 30 -0.337 15.876 -6.299 78 HA GLN 30 HA GLN 30 -2.349 16.989 -7.843 79 HB2 GLN 30 HB2 GLN 30 -2.531 14.393 -6.307 80 HB3 GLN 30 HB3 GLN 30 -3.447 14.830 -7.744 81 HG2 GLN 30 HG2 GLN 30 -1.830 14.134 -9.087 82 HG3 GLN 30 HG3 GLN 30 -0.609 15.053 -8.207 83 HE21 GLN 30 HE21 GLN 30 -0.448 13.957 -5.821 84 HE22 GLN 30 HE22 GLN 30 -0.033 12.282 -5.905 85 H SER 31 H SER 31 -4.038 18.203 -7.342 86 HA SER 31 HA SER 31 -4.789 18.836 -4.715 87 HB2 SER 31 HB2 SER 31 -5.213 20.237 -6.767 88 HB3 SER 31 HB3 SER 31 -6.526 19.133 -7.174 89 HG SER 31 HG SER 31 -6.616 21.212 -5.560 90 H VAL 32 H VAL 32 -7.197 18.642 -4.025 91 HA VAL 32 HA VAL 32 -7.718 15.999 -3.347 92 HB VAL 32 HB VAL 32 -9.678 18.293 -3.501 93 HG11 VAL 32 HG11 VAL 32 -9.865 15.588 -2.194 94 HG12 VAL 32 HG12 VAL 32 -10.910 16.944 -1.764 95 HG13 VAL 32 HG13 VAL 32 -10.942 16.288 -3.401 96 HG21 VAL 32 HG21 VAL 32 -8.794 17.479 -0.868 97 HG22 VAL 32 HG22 VAL 32 -7.442 17.981 -1.883 98 HG23 VAL 32 HG23 VAL 32 -8.795 19.079 -1.611 99 H GLY 33 H GLY 33 -9.326 17.992 -5.832 100 HA2 GLY 33 HA2 GLY 33 -11.103 16.085 -6.792 101 HA3 GLY 33 HA3 GLY 33 -10.435 17.396 -7.752 102 H GLU 34 H GLU 34 -8.047 16.951 -8.414 103 HA GLU 34 HA GLU 34 -8.004 14.871 -10.225 104 HB2 GLU 34 HB2 GLU 34 -6.449 16.671 -10.460 105 HB3 GLU 34 HB3 GLU 34 -5.730 16.336 -8.891 106 HG2 GLU 34 HG2 GLU 34 -4.361 15.618 -10.840 107 HG3 GLU 34 HG3 GLU 34 -4.724 14.337 -9.684 108 H TRP 35 H TRP 35 -6.544 14.954 -6.985 109 HA TRP 35 HA TRP 35 -5.347 12.471 -6.951 110 HB2 TRP 35 HB2 TRP 35 -5.002 13.992 -5.126 111 HB3 TRP 35 HB3 TRP 35 -6.717 13.983 -4.723 112 HD1 TRP 35 HD1 TRP 35 -4.617 10.809 -5.351 113 HE1 TRP 35 HE1 TRP 35 -4.617 9.406 -3.195 114 HE3 TRP 35 HE3 TRP 35 -7.070 14.064 -2.265 115 HZ2 TRP 35 HZ2 TRP 35 -5.535 9.646 -0.536 116 HZ3 TRP 35 HZ3 TRP 35 -7.469 13.400 0.070 117 HH2 TRP 35 HH2 TRP 35 -6.717 11.237 0.914 118 H LEU 36 H LEU 36 -8.647 13.233 -5.830 119 HA LEU 36 HA LEU 36 -9.383 10.548 -5.364 120 HB2 LEU 36 HB2 LEU 36 -11.135 12.928 -5.961 121 HB3 LEU 36 HB3 LEU 36 -11.679 11.395 -5.284 122 HG LEU 36 HG LEU 36 -9.620 13.028 -3.851 123 HD11 LEU 36 HD11 LEU 36 -11.435 14.576 -4.331 124 HD12 LEU 36 HD12 LEU 36 -11.410 14.147 -2.620 125 HD13 LEU 36 HD13 LEU 36 -12.605 13.420 -3.693 126 HD21 LEU 36 HD21 LEU 36 -11.546 11.796 -2.182 127 HD22 LEU 36 HD22 LEU 36 -9.838 11.395 -2.367 128 HD23 LEU 36 HD23 LEU 36 -11.044 10.611 -3.387 129 H GLU 37 H GLU 37 -9.412 12.559 -8.211 130 HA GLU 37 HA GLU 37 -11.192 11.023 -9.777 131 HB2 GLU 37 HB2 GLU 37 -9.477 13.301 -10.143 132 HB3 GLU 37 HB3 GLU 37 -9.283 12.194 -11.495 133 HG2 GLU 37 HG2 GLU 37 -12.055 12.436 -10.936 134 HG3 GLU 37 HG3 GLU 37 -11.358 14.053 -11.017 135 H SER 38 H SER 38 -7.821 10.679 -8.990 136 HA SER 38 HA SER 38 -7.166 8.861 -11.085 137 HB2 SER 38 HB2 SER 38 -5.710 10.279 -9.244 138 HB3 SER 38 HB3 SER 38 -5.595 8.638 -8.608 139 HG SER 38 HG SER 38 -3.932 8.988 -10.078 140 H ILE 39 H ILE 39 -8.759 8.561 -8.052 141 HA ILE 39 HA ILE 39 -8.492 5.632 -8.130 142 HB ILE 39 HB ILE 39 -9.263 5.613 -5.823 143 HG12 ILE 39 HG12 ILE 39 -9.302 8.633 -5.993 144 HG13 ILE 39 HG13 ILE 39 -10.740 7.620 -6.028 145 HG21 ILE 39 HG21 ILE 39 -7.309 7.581 -5.252 146 HG22 ILE 39 HG22 ILE 39 -7.124 5.829 -5.280 147 HG23 ILE 39 HG23 ILE 39 -6.835 6.769 -6.744 148 HD11 ILE 39 HD11 ILE 39 -10.119 6.759 -3.791 149 HD12 ILE 39 HD12 ILE 39 -8.788 7.916 -3.762 150 HD13 ILE 39 HD13 ILE 39 -10.454 8.490 -3.824 151 H GLY 40 H GLY 40 -10.634 8.173 -8.799 152 HA2 GLY 40 HA2 GLY 40 -12.704 7.912 -9.880 153 HA3 GLY 40 HA3 GLY 40 -12.774 6.254 -9.297 154 H LEU 41 H LEU 41 -11.978 8.728 -7.032 155 HA LEU 41 HA LEU 41 -14.675 8.489 -5.874 156 HB2 LEU 41 HB2 LEU 41 -12.432 7.683 -4.697 157 HB3 LEU 41 HB3 LEU 41 -12.374 9.380 -4.225 158 HG LEU 41 HG LEU 41 -14.918 8.726 -3.527 159 HD11 LEU 41 HD11 LEU 41 -13.686 6.257 -4.008 160 HD12 LEU 41 HD12 LEU 41 -15.228 6.555 -3.208 161 HD13 LEU 41 HD13 LEU 41 -13.749 6.438 -2.255 162 HD21 LEU 41 HD21 LEU 41 -12.822 8.107 -1.533 163 HD22 LEU 41 HD22 LEU 41 -14.212 9.187 -1.423 164 HD23 LEU 41 HD23 LEU 41 -12.762 9.700 -2.288 165 H GLN 42 H GLN 42 -13.261 10.493 -7.792 166 HA GLN 42 HA GLN 42 -13.032 12.975 -6.554 167 HB2 GLN 42 HB2 GLN 42 -12.519 12.225 -8.999 168 HB3 GLN 42 HB3 GLN 42 -14.176 12.724 -9.314 169 HG2 GLN 42 HG2 GLN 42 -12.981 14.810 -7.861 170 HG3 GLN 42 HG3 GLN 42 -11.817 14.318 -9.089 171 HE21 GLN 42 HE21 GLN 42 -13.750 16.659 -8.665 172 HE22 GLN 42 HE22 GLN 42 -14.515 16.829 -10.204 173 H GLN 43 H GLN 43 -15.858 11.178 -7.510 174 HA GLN 43 HA GLN 43 -17.734 13.277 -7.492 175 HB2 GLN 43 HB2 GLN 43 -19.377 11.634 -7.611 176 HB3 GLN 43 HB3 GLN 43 -17.981 10.836 -8.321 177 HG2 GLN 43 HG2 GLN 43 -18.825 10.526 -5.450 178 HG3 GLN 43 HG3 GLN 43 -19.283 9.425 -6.749 179 HE21 GLN 43 HE21 GLN 43 -17.821 8.753 -4.405 180 HE22 GLN 43 HE22 GLN 43 -16.263 8.200 -4.904 181 H TYR 44 H TYR 44 -16.358 11.313 -4.939 182 HA TYR 44 HA TYR 44 -18.183 12.372 -2.947 183 HB2 TYR 44 HB2 TYR 44 -16.448 10.100 -3.154 184 HB3 TYR 44 HB3 TYR 44 -16.036 11.008 -1.703 185 HD1 TYR 44 HD1 TYR 44 -18.563 12.000 -0.732 186 HD2 TYR 44 HD2 TYR 44 -17.675 8.244 -2.524 187 HE1 TYR 44 HE1 TYR 44 -20.475 10.993 0.443 188 HE2 TYR 44 HE2 TYR 44 -19.585 7.228 -1.356 189 HH TYR 44 HH TYR 44 -21.992 8.523 -0.292 190 H GLU 45 H GLU 45 -15.767 13.745 -4.513 191 HA GLU 45 HA GLU 45 -13.920 14.663 -2.654 192 HB2 GLU 45 HB2 GLU 45 -13.543 15.076 -4.976 193 HB3 GLU 45 HB3 GLU 45 -15.048 15.971 -5.126 194 HG2 GLU 45 HG2 GLU 45 -13.365 17.164 -3.125 195 HG3 GLU 45 HG3 GLU 45 -12.498 16.994 -4.651 196 H SER 46 H SER 46 -17.113 15.941 -3.479 197 HA SER 46 HA SER 46 -17.098 18.318 -2.091 198 HB2 SER 46 HB2 SER 46 -18.964 17.520 -3.525 199 HB3 SER 46 HB3 SER 46 -19.425 16.388 -2.254 200 HG SER 46 HG SER 46 -19.776 19.128 -2.405 201 H LYS 47 H LYS 47 -17.786 15.074 -0.844 202 HA LYS 47 HA LYS 47 -18.418 15.863 1.789 203 HB2 LYS 47 HB2 LYS 47 -17.593 13.294 0.496 204 HB3 LYS 47 HB3 LYS 47 -17.622 13.396 2.251 205 HG2 LYS 47 HG2 LYS 47 -19.701 12.491 1.510 206 HG3 LYS 47 HG3 LYS 47 -19.993 14.124 2.112 207 HD2 LYS 47 HD2 LYS 47 -19.379 13.957 -0.757 208 HD3 LYS 47 HD3 LYS 47 -20.885 13.172 -0.274 209 HE2 LYS 47 HE2 LYS 47 -21.248 15.409 1.054 210 HE3 LYS 47 HE3 LYS 47 -20.098 16.045 -0.122 211 HZ1 LYS 47 HZ1 LYS 47 -22.313 16.368 -0.931 212 HZ2 LYS 47 HZ2 LYS 47 -22.695 14.734 -0.714 213 HZ3 LYS 47 HZ3 LYS 47 -21.567 15.189 -1.889 214 H LEU 48 H LEU 48 -15.376 14.940 0.245 215 HA LEU 48 HA LEU 48 -13.871 15.119 2.688 216 HB2 LEU 48 HB2 LEU 48 -13.414 13.739 0.507 217 HB3 LEU 48 HB3 LEU 48 -12.610 15.217 -0.015 218 HG LEU 48 HG LEU 48 -11.842 14.091 2.624 219 HD11 LEU 48 HD11 LEU 48 -11.945 12.107 1.199 220 HD12 LEU 48 HD12 LEU 48 -10.282 12.531 1.601 221 HD13 LEU 48 HD13 LEU 48 -10.925 12.912 0.005 222 HD21 LEU 48 HD21 LEU 48 -10.595 15.950 2.209 223 HD22 LEU 48 HD22 LEU 48 -10.665 15.744 0.459 224 HD23 LEU 48 HD23 LEU 48 -9.570 14.750 1.421 225 H LEU 49 H LEU 49 -15.202 17.393 0.686 226 HA LEU 49 HA LEU 49 -13.071 19.355 1.192 227 HB2 LEU 49 HB2 LEU 49 -13.588 19.280 -1.110 228 HB3 LEU 49 HB3 LEU 49 -15.322 19.269 -0.795 229 HG LEU 49 HG LEU 49 -15.174 21.606 -0.029 230 HD11 LEU 49 HD11 LEU 49 -12.887 21.643 0.751 231 HD12 LEU 49 HD12 LEU 49 -13.114 22.876 -0.488 232 HD13 LEU 49 HD13 LEU 49 -12.293 21.367 -0.886 233 HD21 LEU 49 HD21 LEU 49 -14.257 20.860 -2.783 234 HD22 LEU 49 HD22 LEU 49 -14.485 22.548 -2.326 235 HD23 LEU 49 HD23 LEU 49 -15.842 21.423 -2.251 236 H LEU 50 H LEU 50 -16.440 18.615 1.759 237 HA LEU 50 HA LEU 50 -16.918 21.162 3.076 238 HB2 LEU 50 HB2 LEU 50 -18.522 19.114 1.883 239 HB3 LEU 50 HB3 LEU 50 -19.052 19.376 3.544 240 HG LEU 50 HG LEU 50 -20.256 20.692 1.753 241 HD11 LEU 50 HD11 LEU 50 -20.072 21.228 4.253 242 HD12 LEU 50 HD12 LEU 50 -20.595 22.514 3.166 243 HD13 LEU 50 HD13 LEU 50 -18.936 22.484 3.761 244 HD21 LEU 50 HD21 LEU 50 -17.733 21.286 0.877 245 HD22 LEU 50 HD22 LEU 50 -18.183 22.751 1.749 246 HD23 LEU 50 HD23 LEU 50 -19.200 22.159 0.434 247 H ASN 51 H ASN 51 -15.182 18.693 3.996 248 HA ASN 51 HA ASN 51 -16.178 18.734 6.769 249 HB2 ASN 51 HB2 ASN 51 -15.153 16.479 5.099 250 HB3 ASN 51 HB3 ASN 51 -14.814 16.462 6.828 251 HD21 ASN 51 HD21 ASN 51 -17.435 16.766 4.483 252 HD22 ASN 51 HD22 ASN 51 -18.643 16.025 5.471 253 H GLY 52 H GLY 52 -14.160 20.394 5.242 254 HA2 GLY 52 HA2 GLY 52 -12.070 21.290 5.571 255 HA3 GLY 52 HA3 GLY 52 -12.355 20.903 7.262 256 H PHE 53 H PHE 53 -11.753 18.919 4.362 257 HA PHE 53 HA PHE 53 -9.339 17.872 5.659 258 HB2 PHE 53 HB2 PHE 53 -11.684 16.435 5.612 259 HB3 PHE 53 HB3 PHE 53 -10.849 15.840 4.181 260 HD1 PHE 53 HD1 PHE 53 -8.032 16.038 5.130 261 HD2 PHE 53 HD2 PHE 53 -11.547 14.615 7.064 262 HE1 PHE 53 HE1 PHE 53 -6.656 14.568 6.543 263 HE2 PHE 53 HE2 PHE 53 -10.175 13.143 8.480 264 HZ PHE 53 HZ PHE 53 -7.726 13.120 8.222 265 H ASP 54 H ASP 54 -10.397 19.528 3.184 266 HA ASP 54 HA ASP 54 -9.453 18.152 0.896 267 HB2 ASP 54 HB2 ASP 54 -9.904 20.099 -0.290 268 HB3 ASP 54 HB3 ASP 54 -10.993 20.251 1.086 269 H ASP 55 H ASP 55 -7.852 19.742 3.450 270 HA ASP 55 HA ASP 55 -5.550 20.711 2.189 271 HB2 ASP 55 HB2 ASP 55 -5.991 19.627 4.972 272 HB3 ASP 55 HB3 ASP 55 -4.467 20.342 4.453 273 H VAL 56 H VAL 56 -4.643 19.398 0.673 274 HA VAL 56 HA VAL 56 -4.284 16.630 0.864 275 HB VAL 56 HB VAL 56 -2.609 18.609 -0.688 276 HG11 VAL 56 HG11 VAL 56 -2.874 15.618 -0.836 277 HG12 VAL 56 HG12 VAL 56 -2.250 16.585 -2.174 278 HG13 VAL 56 HG13 VAL 56 -1.411 16.578 -0.622 279 HG21 VAL 56 HG21 VAL 56 -4.389 18.906 -1.980 280 HG22 VAL 56 HG22 VAL 56 -4.398 17.181 -2.343 281 HG23 VAL 56 HG23 VAL 56 -5.330 17.801 -0.979 282 H HIS 57 H HIS 57 -2.589 19.208 2.362 283 HA HIS 57 HA HIS 57 -0.227 17.595 2.911 284 HB2 HIS 57 HB2 HIS 57 -0.370 20.194 2.423 285 HB3 HIS 57 HB3 HIS 57 -0.664 20.274 4.156 286 HD1 HIS 57 HD1 HIS 57 1.540 21.277 4.858 287 HD2 HIS 57 HD2 HIS 57 1.988 17.853 2.547 288 HE1 HIS 57 HE1 HIS 57 3.986 20.702 4.974 289 H PHE 58 H PHE 58 -3.113 17.296 4.043 290 HA PHE 58 HA PHE 58 -2.294 17.101 6.867 291 HB2 PHE 58 HB2 PHE 58 -4.439 18.533 5.805 292 HB3 PHE 58 HB3 PHE 58 -5.170 17.073 6.460 293 HD1 PHE 58 HD2 PHE 58 -2.504 19.479 7.491 294 HD2 PHE 58 HD1 PHE 58 -5.979 17.279 8.586 295 HE1 PHE 58 HE2 PHE 58 -2.400 20.447 9.750 296 HE2 PHE 58 HE1 PHE 58 -5.882 18.245 10.848 297 HZ PHE 58 HZ PHE 58 -4.091 19.830 11.432 298 H LEU 59 H LEU 59 -3.227 15.417 4.101 299 HA LEU 59 HA LEU 59 -4.739 13.295 4.997 300 HB2 LEU 59 HB2 LEU 59 -2.450 13.018 3.065 301 HB3 LEU 59 HB3 LEU 59 -3.919 12.048 3.140 302 HG LEU 59 HG LEU 59 -3.684 14.918 2.245 303 HD11 LEU 59 HD11 LEU 59 -4.665 13.848 0.140 304 HD12 LEU 59 HD12 LEU 59 -4.157 12.311 0.841 305 HD13 LEU 59 HD13 LEU 59 -2.960 13.558 0.489 306 HD21 LEU 59 HD21 LEU 59 -5.750 14.577 3.502 307 HD22 LEU 59 HD22 LEU 59 -6.138 13.181 2.497 308 HD23 LEU 59 HD23 LEU 59 -6.077 14.794 1.783 309 H GLY 60 H GLY 60 -1.201 13.634 5.073 310 HA2 GLY 60 HA2 GLY 60 -0.864 11.105 6.427 311 HA3 GLY 60 HA3 GLY 60 0.398 12.270 6.056 312 H SER 61 H SER 61 -1.165 14.451 7.346 313 HA SER 61 HA SER 61 -0.066 14.156 9.964 314 HB2 SER 61 HB2 SER 61 -1.083 16.288 8.350 315 HB3 SER 61 HB3 SER 61 -1.900 16.331 9.912 316 HG SER 61 HG SER 61 0.087 17.514 9.876 317 H ASN 62 H ASN 62 -3.422 14.961 9.072 318 HA ASN 62 HA ASN 62 -4.594 14.340 11.489 319 HB2 ASN 62 HB2 ASN 62 -5.635 15.453 9.425 320 HB3 ASN 62 HB3 ASN 62 -5.970 13.818 8.859 321 HD21 ASN 62 HD21 ASN 62 -6.594 16.143 11.404 322 HD22 ASN 62 HD22 ASN 62 -8.074 15.435 11.947 323 H VAL 63 H VAL 63 -6.193 12.516 11.869 324 HA VAL 63 HA VAL 63 -4.790 10.053 11.856 325 HB VAL 63 HB VAL 63 -6.361 10.598 13.638 326 HG11 VAL 63 HG11 VAL 63 -8.593 10.208 11.656 327 HG12 VAL 63 HG12 VAL 63 -8.707 10.754 13.330 328 HG13 VAL 63 HG13 VAL 63 -7.972 11.794 12.109 329 HG21 VAL 63 HG21 VAL 63 -7.903 8.390 13.052 330 HG22 VAL 63 HG22 VAL 63 -6.449 8.138 12.085 331 HG23 VAL 63 HG23 VAL 63 -6.319 8.372 13.828 332 H MET 64 H MET 64 -7.554 11.271 10.001 333 HA MET 64 HA MET 64 -8.676 10.420 8.201 334 HB2 MET 64 HB2 MET 64 -6.351 11.090 7.342 335 HB3 MET 64 HB3 MET 64 -5.996 9.368 7.321 336 HG2 MET 64 HG2 MET 64 -6.819 9.343 5.267 337 HG3 MET 64 HG3 MET 64 -8.409 9.548 5.999 338 HE1 MET 64 HE1 MET 64 -9.958 11.525 5.384 339 HE2 MET 64 HE2 MET 64 -9.524 12.345 3.884 340 HE3 MET 64 HE3 MET 64 -9.469 10.584 3.974 341 H GLU 65 H GLU 65 -9.222 8.769 10.153 342 HA GLU 65 HA GLU 65 -8.547 6.048 9.293 343 HB2 GLU 65 HB2 GLU 65 -9.014 7.290 11.845 344 HB3 GLU 65 HB3 GLU 65 -10.151 5.969 11.614 345 HG2 GLU 65 HG2 GLU 65 -7.836 4.816 10.799 346 HG3 GLU 65 HG3 GLU 65 -7.257 5.913 12.052 347 H GLU 66 H GLU 66 -10.551 4.508 9.930 348 HA GLU 66 HA GLU 66 -12.420 4.758 7.917 349 HB2 GLU 66 HB2 GLU 66 -13.803 3.138 9.273 350 HB3 GLU 66 HB3 GLU 66 -12.147 2.640 8.958 351 HG2 GLU 66 HG2 GLU 66 -11.550 3.505 11.229 352 HG3 GLU 66 HG3 GLU 66 -13.273 3.737 11.520 353 H GLN 67 H GLN 67 -12.794 5.650 11.341 354 HA GLN 67 HA GLN 67 -15.429 6.558 11.204 355 HB2 GLN 67 HB2 GLN 67 -14.357 6.192 13.334 356 HB3 GLN 67 HB3 GLN 67 -13.156 7.431 12.992 357 HG2 GLN 67 HG2 GLN 67 -14.480 9.062 13.713 358 HG3 GLN 67 HG3 GLN 67 -15.869 8.441 12.823 359 HE21 GLN 67 HE21 GLN 67 -17.000 6.594 13.798 360 HE22 GLN 67 HE22 GLN 67 -17.117 6.518 15.520 361 H ASP 68 H ASP 68 -12.402 8.160 10.429 362 HA ASP 68 HA ASP 68 -13.427 10.784 10.204 363 HB2 ASP 68 HB2 ASP 68 -10.938 9.382 9.500 364 HB3 ASP 68 HB3 ASP 68 -11.319 10.751 8.458 365 H LEU 69 H LEU 69 -12.820 8.271 7.760 366 HA LEU 69 HA LEU 69 -13.833 9.797 5.591 367 HB2 LEU 69 HB2 LEU 69 -13.745 6.798 5.694 368 HB3 LEU 69 HB3 LEU 69 -13.592 7.852 4.289 369 HG LEU 69 HG LEU 69 -11.547 7.305 6.428 370 HD11 LEU 69 HD11 LEU 69 -10.274 6.956 4.125 371 HD12 LEU 69 HD12 LEU 69 -11.912 6.613 3.568 372 HD13 LEU 69 HD13 LEU 69 -11.213 5.670 4.886 373 HD21 LEU 69 HD21 LEU 69 -10.219 8.906 4.771 374 HD22 LEU 69 HD22 LEU 69 -11.083 9.515 6.183 375 HD23 LEU 69 HD23 LEU 69 -11.825 9.610 4.586 376 H ARG 70 H ARG 70 -15.293 7.774 7.999 377 HA ARG 70 HA ARG 70 -17.759 7.372 6.586 378 HB2 ARG 70 HB2 ARG 70 -16.891 5.822 8.346 379 HB3 ARG 70 HB3 ARG 70 -17.213 7.069 9.542 380 HG2 ARG 70 HG2 ARG 70 -19.398 6.610 9.603 381 HG3 ARG 70 HG3 ARG 70 -19.508 6.442 7.849 382 HD2 ARG 70 HD2 ARG 70 -18.073 4.232 8.497 383 HD3 ARG 70 HD3 ARG 70 -19.091 4.405 9.928 384 HE ARG 70 HE ARG 70 -20.715 4.665 7.671 385 HH11 ARG 70 HH11 ARG 70 -18.784 2.249 9.269 386 HH12 ARG 70 HH12 ARG 70 -19.756 0.923 8.720 387 HH21 ARG 70 HH21 ARG 70 -22.002 2.928 6.943 388 HH22 ARG 70 HH22 ARG 70 -21.585 1.310 7.397 389 H ASP 71 H ASP 71 -16.562 9.613 9.024 390 HA ASP 71 HA ASP 71 -19.044 10.833 9.615 391 HB2 ASP 71 HB2 ASP 71 -17.321 11.180 11.189 392 HB3 ASP 71 HB3 ASP 71 -16.182 11.703 9.952 393 H ILE 72 H ILE 72 -16.612 11.398 7.153 394 HA ILE 72 HA ILE 72 -17.744 13.875 6.252 395 HB ILE 72 HB ILE 72 -16.210 13.649 4.337 396 HG12 ILE 72 HG12 ILE 72 -15.370 11.044 5.621 397 HG13 ILE 72 HG13 ILE 72 -16.371 11.159 4.178 398 HG21 ILE 72 HG21 ILE 72 -14.449 12.915 6.578 399 HG22 ILE 72 HG22 ILE 72 -14.448 14.349 5.552 400 HG23 ILE 72 HG23 ILE 72 -15.584 14.227 6.895 401 HD11 ILE 72 HD11 ILE 72 -13.955 10.699 3.765 402 HD12 ILE 72 HD12 ILE 72 -14.591 12.116 2.931 403 HD13 ILE 72 HD13 ILE 72 -13.604 12.314 4.379 404 H GLY 73 H GLY 73 -18.207 10.503 5.537 405 HA2 GLY 73 HA2 GLY 73 -20.613 10.377 4.519 406 HA3 GLY 73 HA3 GLY 73 -19.803 11.145 3.161 407 H ILE 74 H ILE 74 -17.335 9.746 3.362 408 HA ILE 74 HA ILE 74 -17.875 7.504 1.788 409 HB ILE 74 HB ILE 74 -15.390 7.998 3.432 410 HG12 ILE 74 HG12 ILE 74 -15.966 8.784 0.568 411 HG13 ILE 74 HG13 ILE 74 -16.032 9.892 1.934 412 HG21 ILE 74 HG21 ILE 74 -16.159 5.966 1.472 413 HG22 ILE 74 HG22 ILE 74 -14.611 6.742 1.144 414 HG23 ILE 74 HG23 ILE 74 -14.886 5.943 2.691 415 HD11 ILE 74 HD11 ILE 74 -13.663 8.582 0.679 416 HD12 ILE 74 HD12 ILE 74 -13.942 10.285 1.045 417 HD13 ILE 74 HD13 ILE 74 -13.596 9.148 2.348 418 H SER 75 H SER 75 -19.250 6.009 2.636 419 HA SER 75 HA SER 75 -18.385 4.668 5.114 420 HB2 SER 75 HB2 SER 75 -20.925 3.920 5.055 421 HB3 SER 75 HB3 SER 75 -20.456 5.479 5.732 422 HG SER 75 HG SER 75 -22.136 5.049 3.773 423 H ASP 76 H ASP 76 -17.893 4.248 2.096 424 HA ASP 76 HA ASP 76 -18.928 1.525 1.815 425 HB2 ASP 76 HB2 ASP 76 -18.136 3.643 -0.031 426 HB3 ASP 76 HB3 ASP 76 -17.447 2.081 -0.460 427 HA PRO 77 HA PRO 77 -15.129 -0.406 2.872 428 HB2 PRO 77 HB2 PRO 77 -15.255 -2.632 1.322 429 HB3 PRO 77 HB3 PRO 77 -16.263 -2.402 2.756 430 HG2 PRO 77 HG2 PRO 77 -16.951 -1.993 -0.129 431 HG3 PRO 77 HG3 PRO 77 -17.911 -2.753 1.154 432 HD2 PRO 77 HD2 PRO 77 -18.336 -0.209 0.328 433 HD3 PRO 77 HD3 PRO 77 -18.610 -0.728 2.004 434 H GLN 78 H GLN 78 -15.806 -0.429 -0.629 435 HA GLN 78 HA GLN 78 -13.064 -0.641 -1.368 436 HB2 GLN 78 HB2 GLN 78 -15.465 0.231 -2.985 437 HB3 GLN 78 HB3 GLN 78 -13.880 -0.133 -3.651 438 HG2 GLN 78 HG2 GLN 78 -14.219 -2.432 -2.479 439 HG3 GLN 78 HG3 GLN 78 -15.923 -1.977 -2.505 440 HE21 GLN 78 HE21 GLN 78 -13.781 -3.768 -4.066 441 HE22 GLN 78 HE22 GLN 78 -14.380 -3.666 -5.684 442 H HIS 79 H HIS 79 -14.906 1.914 -0.196 443 HA HIS 79 HA HIS 79 -13.298 3.958 -1.538 444 HB2 HIS 79 HB2 HIS 79 -15.691 4.211 0.296 445 HB3 HIS 79 HB3 HIS 79 -14.854 5.564 -0.459 446 HD1 HIS 79 HD1 HIS 79 -17.617 5.620 -1.223 447 HD2 HIS 79 HD2 HIS 79 -14.980 3.064 -3.168 448 HE1 HIS 79 HE1 HIS 79 -18.704 5.082 -3.425 449 H ARG 80 H ARG 80 -14.243 3.008 1.762 450 HA ARG 80 HA ARG 80 -12.532 4.767 3.114 451 HB2 ARG 80 HB2 ARG 80 -14.305 2.629 3.789 452 HB3 ARG 80 HB3 ARG 80 -12.789 2.390 4.648 453 HG2 ARG 80 HG2 ARG 80 -12.956 4.695 5.516 454 HG3 ARG 80 HG3 ARG 80 -14.524 4.848 4.720 455 HD2 ARG 80 HD2 ARG 80 -14.519 4.229 7.196 456 HD3 ARG 80 HD3 ARG 80 -15.518 3.254 6.117 457 HE ARG 80 HE ARG 80 -12.857 2.227 6.588 458 HH11 ARG 80 HH11 ARG 80 -16.193 2.229 7.583 459 HH12 ARG 80 HH12 ARG 80 -16.091 0.694 8.380 460 HH21 ARG 80 HH21 ARG 80 -12.710 0.206 7.635 461 HH22 ARG 80 HH22 ARG 80 -14.110 -0.456 8.410 462 H ARG 81 H ARG 81 -11.922 1.767 1.504 463 HA ARG 81 HA ARG 81 -9.372 1.329 2.800 464 HB2 ARG 81 HB2 ARG 81 -11.040 -0.436 1.805 465 HB3 ARG 81 HB3 ARG 81 -10.214 -0.077 0.295 466 HG2 ARG 81 HG2 ARG 81 -8.875 -1.757 0.948 467 HG3 ARG 81 HG3 ARG 81 -8.092 -0.486 1.891 468 HD2 ARG 81 HD2 ARG 81 -8.857 -1.292 3.858 469 HD3 ARG 81 HD3 ARG 81 -10.404 -1.787 3.172 470 HE ARG 81 HE ARG 81 -9.544 -3.879 2.864 471 HH11 ARG 81 HH11 ARG 81 -6.915 -1.639 3.304 472 HH12 ARG 81 HH12 ARG 81 -5.700 -2.873 3.352 473 HH21 ARG 81 HH21 ARG 81 -7.953 -5.512 2.924 474 HH22 ARG 81 HH22 ARG 81 -6.291 -5.076 3.135 475 H LYS 82 H LYS 82 -10.505 2.221 -0.450 476 HA LYS 82 HA LYS 82 -7.990 2.531 -1.637 477 HB2 LYS 82 HB2 LYS 82 -10.444 2.587 -2.621 478 HB3 LYS 82 HB3 LYS 82 -10.245 4.324 -2.426 479 HG2 LYS 82 HG2 LYS 82 -8.630 4.462 -4.040 480 HG3 LYS 82 HG3 LYS 82 -8.106 2.792 -3.813 481 HD2 LYS 82 HD2 LYS 82 -10.868 3.206 -4.796 482 HD3 LYS 82 HD3 LYS 82 -9.557 3.591 -5.915 483 HE2 LYS 82 HE2 LYS 82 -9.110 1.077 -4.542 484 HE3 LYS 82 HE3 LYS 82 -10.641 1.083 -5.416 485 HZ1 LYS 82 HZ1 LYS 82 -9.161 2.071 -7.302 486 HZ2 LYS 82 HZ2 LYS 82 -9.207 0.402 -7.039 487 HZ3 LYS 82 HZ3 LYS 82 -7.907 1.313 -6.455 488 H LEU 83 H LEU 83 -9.995 4.813 0.167 489 HA LEU 83 HA LEU 83 -8.337 7.073 -0.279 490 HB2 LEU 83 HB2 LEU 83 -10.807 6.588 0.887 491 HB3 LEU 83 HB3 LEU 83 -9.800 7.138 2.225 492 HG LEU 83 HG LEU 83 -11.084 8.958 1.171 493 HD11 LEU 83 HD11 LEU 83 -9.157 10.490 0.825 494 HD12 LEU 83 HD12 LEU 83 -8.087 9.090 0.900 495 HD13 LEU 83 HD13 LEU 83 -9.057 9.537 2.305 496 HD21 LEU 83 HD21 LEU 83 -10.986 9.499 -1.032 497 HD22 LEU 83 HD22 LEU 83 -10.670 7.770 -1.175 498 HD23 LEU 83 HD23 LEU 83 -9.331 8.919 -1.217 499 H LEU 84 H LEU 84 -8.424 4.559 2.172 500 HA LEU 84 HA LEU 84 -6.542 5.811 3.918 501 HB2 LEU 84 HB2 LEU 84 -8.069 3.347 3.820 502 HB3 LEU 84 HB3 LEU 84 -6.432 3.087 4.419 503 HG LEU 84 HG LEU 84 -6.779 4.515 6.270 504 HD11 LEU 84 HD11 LEU 84 -9.332 5.473 6.270 505 HD12 LEU 84 HD12 LEU 84 -8.875 5.644 4.575 506 HD13 LEU 84 HD13 LEU 84 -7.897 6.401 5.832 507 HD21 LEU 84 HD21 LEU 84 -8.719 3.524 7.378 508 HD22 LEU 84 HD22 LEU 84 -7.790 2.308 6.501 509 HD23 LEU 84 HD23 LEU 84 -9.301 2.920 5.827 510 H GLN 85 H GLN 85 -6.331 3.708 1.151 511 HA GLN 85 HA GLN 85 -3.573 3.006 1.601 512 HB2 GLN 85 HB2 GLN 85 -5.499 1.763 0.243 513 HB3 GLN 85 HB3 GLN 85 -4.829 2.706 -1.081 514 HG2 GLN 85 HG2 GLN 85 -3.089 1.349 -1.280 515 HG3 GLN 85 HG3 GLN 85 -2.746 1.424 0.448 516 HE21 GLN 85 HE21 GLN 85 -5.164 0.016 -1.741 517 HE22 GLN 85 HE22 GLN 85 -5.228 -1.522 -0.955 518 H ALA 86 H ALA 86 -5.364 5.324 -0.345 519 HA ALA 86 HA ALA 86 -3.042 6.239 -1.775 520 HB1 ALA 86 HB1 ALA 86 -5.417 7.980 -1.658 521 HB2 ALA 86 HB2 ALA 86 -4.479 7.426 -3.045 522 HB3 ALA 86 HB3 ALA 86 -5.677 6.362 -2.309 523 H ALA 87 H ALA 87 -4.463 6.890 1.267 524 HA ALA 87 HA ALA 87 -3.313 9.542 1.521 525 HB1 ALA 87 HB1 ALA 87 -5.093 7.834 3.175 526 HB2 ALA 87 HB2 ALA 87 -4.147 9.082 3.987 527 HB3 ALA 87 HB3 ALA 87 -5.266 9.523 2.696 528 H ARG 88 H ARG 88 -2.768 6.289 2.806 529 HA ARG 88 HA ARG 88 -0.574 7.091 4.467 530 HB2 ARG 88 HB2 ARG 88 -2.096 4.679 3.971 531 HB3 ARG 88 HB3 ARG 88 -0.373 4.335 4.017 532 HG2 ARG 88 HG2 ARG 88 -0.463 4.345 6.225 533 HG3 ARG 88 HG3 ARG 88 -0.904 6.052 6.180 534 HD2 ARG 88 HD2 ARG 88 -3.090 5.635 6.572 535 HD3 ARG 88 HD3 ARG 88 -3.083 4.148 5.625 536 HE ARG 88 HE ARG 88 -2.644 4.402 8.452 537 HH11 ARG 88 HH11 ARG 88 -2.043 2.453 5.631 538 HH12 ARG 88 HH12 ARG 88 -1.814 0.990 6.530 539 HH21 ARG 88 HH21 ARG 88 -2.345 2.483 9.646 540 HH22 ARG 88 HH22 ARG 88 -1.988 1.008 8.814 541 H SER 89 H SER 89 -0.958 6.253 1.163 542 HA SER 89 HA SER 89 1.707 5.337 0.690 543 HB2 SER 89 HB2 SER 89 1.132 5.504 -1.679 544 HB3 SER 89 HB3 SER 89 -0.186 4.741 -0.789 545 HG SER 89 HG SER 89 -0.170 7.056 -2.210 546 H LEU 90 H LEU 90 0.466 8.343 1.409 547 HA LEU 90 HA LEU 90 2.093 9.966 -0.291 548 HB2 LEU 90 HB2 LEU 90 0.299 10.404 2.029 549 HB3 LEU 90 HB3 LEU 90 1.506 11.644 1.696 550 HG LEU 90 HG LEU 90 0.308 11.169 -0.768 551 HD11 LEU 90 HD11 LEU 90 -1.428 9.984 0.819 552 HD12 LEU 90 HD12 LEU 90 -1.956 10.984 -0.535 553 HD13 LEU 90 HD13 LEU 90 -1.955 11.643 1.102 554 HD21 LEU 90 HD21 LEU 90 0.250 13.296 1.305 555 HD22 LEU 90 HD22 LEU 90 -0.900 13.404 -0.028 556 HD23 LEU 90 HD23 LEU 90 0.831 13.351 -0.360 557 HA PRO 91 HA PRO 91 5.909 10.089 1.872 558 HB2 PRO 91 HB2 PRO 91 6.604 12.707 1.688 559 HB3 PRO 91 HB3 PRO 91 6.640 11.605 0.307 560 HG2 PRO 91 HG2 PRO 91 4.553 13.608 1.078 561 HG3 PRO 91 HG3 PRO 91 5.222 13.250 -0.525 562 HD2 PRO 91 HD2 PRO 91 2.829 12.291 0.302 563 HD3 PRO 91 HD3 PRO 91 3.886 11.394 -0.807 564 H LYS 92 H LYS 92 6.162 9.869 3.997 565 HA LYS 92 HA LYS 92 4.578 11.078 5.955 566 HB2 LYS 92 HB2 LYS 92 6.113 10.150 7.569 567 HB3 LYS 92 HB3 LYS 92 5.886 8.989 6.268 568 HG2 LYS 92 HG2 LYS 92 8.108 10.672 5.646 569 HG3 LYS 92 HG3 LYS 92 8.300 10.020 7.275 570 HD2 LYS 92 HD2 LYS 92 7.813 7.753 6.332 571 HD3 LYS 92 HD3 LYS 92 7.863 8.475 4.723 572 HE2 LYS 92 HE2 LYS 92 10.134 8.879 4.833 573 HE3 LYS 92 HE3 LYS 92 10.152 8.887 6.595 574 HZ1 LYS 92 HZ1 LYS 92 10.935 6.825 5.036 575 HZ2 LYS 92 HZ2 LYS 92 9.364 6.364 5.461 576 HZ3 LYS 92 HZ3 LYS 92 10.502 6.699 6.667 577 H VAL 93 H VAL 93 5.373 12.485 7.741 578 HA VAL 93 HA VAL 93 7.162 14.586 6.701 579 HB VAL 93 HB VAL 93 4.812 15.333 6.815 580 HG11 VAL 93 HG11 VAL 93 3.636 15.519 8.882 581 HG12 VAL 93 HG12 VAL 93 4.208 13.854 8.747 582 HG13 VAL 93 HG13 VAL 93 5.048 14.994 9.800 583 HG21 VAL 93 HG21 VAL 93 6.955 16.743 7.431 584 HG22 VAL 93 HG22 VAL 93 5.336 17.424 7.583 585 HG23 VAL 93 HG23 VAL 93 6.172 16.811 9.010 586 H LYS 94 H LYS 94 8.593 15.563 8.131 587 HA LYS 94 HA LYS 94 9.332 13.929 10.404 588 HB2 LYS 94 HB2 LYS 94 10.612 16.440 9.309 589 HB3 LYS 94 HB3 LYS 94 11.305 15.384 10.532 590 HG2 LYS 94 HG2 LYS 94 10.615 14.436 7.767 591 HG3 LYS 94 HG3 LYS 94 12.191 15.110 8.191 592 HD2 LYS 94 HD2 LYS 94 12.597 13.361 9.762 593 HD3 LYS 94 HD3 LYS 94 10.937 12.775 9.627 594 HE2 LYS 94 HE2 LYS 94 11.339 11.685 7.685 595 HE3 LYS 94 HE3 LYS 94 12.482 12.900 7.115 596 HZ1 LYS 94 HZ1 LYS 94 13.854 11.130 7.516 597 HZ2 LYS 94 HZ2 LYS 94 12.957 10.569 8.835 598 HZ3 LYS 94 HZ3 LYS 94 13.952 11.926 9.006 599 H ALA 95 H ALA 95 7.064 14.694 11.257 600 HA ALA 95 HA ALA 95 7.020 17.297 12.478 601 HB1 ALA 95 HB1 ALA 95 4.841 16.894 12.922 602 HB2 ALA 95 HB2 ALA 95 5.064 15.636 11.705 603 HB3 ALA 95 HB3 ALA 95 5.137 15.227 13.418 604 H LEU 96 H LEU 96 6.710 17.595 14.820 605 HA LEU 96 HA LEU 96 7.504 17.465 16.947 606 HB2 LEU 96 HB2 LEU 96 6.066 15.357 16.727 607 HB3 LEU 96 HB3 LEU 96 7.593 14.486 16.591 608 HG LEU 96 HG LEU 96 7.363 16.263 18.928 609 HD11 LEU 96 HD11 LEU 96 5.060 15.287 18.666 610 HD12 LEU 96 HD12 LEU 96 5.885 14.892 20.173 611 HD13 LEU 96 HD13 LEU 96 5.793 13.698 18.879 612 HD21 LEU 96 HD21 LEU 96 8.530 13.638 18.187 613 HD22 LEU 96 HD22 LEU 96 8.123 13.906 19.883 614 HD23 LEU 96 HD23 LEU 96 9.245 14.993 19.063 615 H GLY 97 H GLY 97 9.513 18.422 16.295 616 HA2 GLY 97 HA2 GLY 97 11.765 16.663 16.853 617 HA3 GLY 97 HA3 GLY 97 11.765 17.428 15.271 618 H TYR 98 H TYR 98 12.520 17.775 18.564 619 HA TYR 98 HA TYR 98 13.388 19.466 19.819 620 HB2 TYR 98 HB2 TYR 98 14.310 20.316 17.069 621 HB3 TYR 98 HB3 TYR 98 14.864 21.069 18.560 622 HD1 TYR 98 HD1 TYR 98 16.193 19.731 20.193 623 HD2 TYR 98 HD2 TYR 98 15.199 18.237 16.335 624 HE1 TYR 98 HE1 TYR 98 17.950 18.023 20.408 625 HE2 TYR 98 HE2 TYR 98 16.952 16.525 16.540 626 HH TYR 98 HH TYR 98 19.390 16.600 18.379 627 H ASP 99 H ASP 99 10.974 19.986 20.028 628 HA ASP 99 HA ASP 99 10.670 22.843 19.540 629 HB2 ASP 99 HB2 ASP 99 9.567 21.670 17.628 630 HB3 ASP 99 HB3 ASP 99 8.496 20.883 18.784 631 H GLY 100 H GLY 100 8.521 20.208 20.618 632 HA2 GLY 100 HA2 GLY 100 8.582 21.304 23.332 633 HA3 GLY 100 HA3 GLY 100 7.030 21.260 22.508 634 H ASN 101 H ASN 101 6.142 19.841 24.024 635 HA ASN 101 HA ASN 101 7.328 17.155 24.133 636 HB2 ASN 101 HB2 ASN 101 5.884 18.820 26.051 637 HB3 ASN 101 HB3 ASN 101 5.243 17.183 25.951 638 HD21 ASN 101 HD21 ASN 101 7.039 15.468 25.896 639 HD22 ASN 101 HD22 ASN 101 8.290 15.668 27.071 Start of MODEL 17 1 H MET 21 H MET 21 -3.459 -5.746 2.198 2 HA MET 21 HA MET 21 -1.705 -4.347 3.719 3 HB2 MET 21 HB2 MET 21 -0.271 -6.409 3.742 4 HB3 MET 21 HB3 MET 21 -1.971 -6.694 4.084 5 HG2 MET 21 HG2 MET 21 -2.268 -7.357 1.704 6 HG3 MET 21 HG3 MET 21 -0.521 -7.230 1.507 7 HE1 MET 21 HE1 MET 21 -2.637 -10.850 2.183 8 HE2 MET 21 HE2 MET 21 -2.944 -9.356 1.299 9 HE3 MET 21 HE3 MET 21 -1.581 -10.383 0.849 10 H ILE 22 H ILE 22 -1.429 -5.007 0.327 11 HA ILE 22 HA ILE 22 1.126 -3.543 0.290 12 HB ILE 22 HB ILE 22 1.772 -4.871 -1.710 13 HG12 ILE 22 HG12 ILE 22 0.159 -7.180 -1.236 14 HG13 ILE 22 HG13 ILE 22 -0.908 -5.801 -1.475 15 HG21 ILE 22 HG21 ILE 22 2.188 -5.429 0.873 16 HG22 ILE 22 HG22 ILE 22 1.367 -6.913 0.387 17 HG23 ILE 22 HG23 ILE 22 2.841 -6.410 -0.440 18 HD11 ILE 22 HD11 ILE 22 0.458 -7.329 -3.415 19 HD12 ILE 22 HD12 ILE 22 -0.601 -5.937 -3.655 20 HD13 ILE 22 HD13 ILE 22 1.133 -5.700 -3.444 21 H SER 23 H SER 23 1.589 -2.665 -1.969 22 HA SER 23 HA SER 23 -0.535 -2.181 -3.772 23 HB2 SER 23 HB2 SER 23 -1.269 -0.048 -3.242 24 HB3 SER 23 HB3 SER 23 -1.044 -0.732 -1.633 25 HG SER 23 HG SER 23 0.144 1.397 -2.714 26 H GLY 24 H GLY 24 0.146 0.132 -4.968 27 HA2 GLY 24 HA2 GLY 24 3.031 0.294 -5.255 28 HA3 GLY 24 HA3 GLY 24 2.176 -0.357 -6.646 29 H LEU 25 H LEU 25 1.923 2.403 -4.398 30 HA LEU 25 HA LEU 25 1.618 4.158 -6.731 31 HB2 LEU 25 HB2 LEU 25 -0.107 4.140 -4.261 32 HB3 LEU 25 HB3 LEU 25 -0.074 5.463 -5.426 33 HG LEU 25 HG LEU 25 -0.708 2.715 -6.395 34 HD11 LEU 25 HD11 LEU 25 -3.170 3.505 -5.946 35 HD12 LEU 25 HD12 LEU 25 -2.414 4.388 -4.620 36 HD13 LEU 25 HD13 LEU 25 -2.258 2.634 -4.713 37 HD21 LEU 25 HD21 LEU 25 -2.152 5.165 -7.220 38 HD22 LEU 25 HD22 LEU 25 -1.602 3.793 -8.181 39 HD23 LEU 25 HD23 LEU 25 -0.454 5.036 -7.681 40 H ARG 26 H ARG 26 2.093 6.421 -6.275 41 HA ARG 26 HA ARG 26 3.261 7.234 -3.820 42 HB2 ARG 26 HB2 ARG 26 5.587 7.488 -4.594 43 HB3 ARG 26 HB3 ARG 26 5.094 5.801 -4.528 44 HG2 ARG 26 HG2 ARG 26 5.004 5.607 -6.845 45 HG3 ARG 26 HG3 ARG 26 4.935 7.355 -7.081 46 HD2 ARG 26 HD2 ARG 26 7.301 7.111 -5.791 47 HD3 ARG 26 HD3 ARG 26 7.250 5.583 -6.670 48 HE ARG 26 HE ARG 26 6.628 7.850 -8.310 49 HH11 ARG 26 HH11 ARG 26 9.203 5.933 -6.965 50 HH12 ARG 26 HH12 ARG 26 10.341 6.357 -8.201 51 HH21 ARG 26 HH21 ARG 26 8.116 8.415 -9.945 52 HH22 ARG 26 HH22 ARG 26 9.721 7.769 -9.896 53 H THR 27 H THR 27 1.298 8.286 -5.481 54 HA THR 27 HA THR 27 2.432 10.415 -7.070 55 HB THR 27 HB THR 27 -0.241 11.034 -6.755 56 HG1 THR 27 HG1 THR 27 -1.308 9.014 -6.954 57 HG21 THR 27 HG21 THR 27 0.283 11.080 -8.941 58 HG22 THR 27 HG22 THR 27 -0.241 9.397 -8.947 59 HG23 THR 27 HG23 THR 27 1.470 9.787 -8.779 60 H LEU 28 H LEU 28 1.927 12.681 -6.699 61 HA LEU 28 HA LEU 28 1.094 13.510 -4.068 62 HB2 LEU 28 HB2 LEU 28 3.124 14.586 -3.413 63 HB3 LEU 28 HB3 LEU 28 3.470 12.890 -3.745 64 HG LEU 28 HG LEU 28 3.928 14.639 -6.041 65 HD11 LEU 28 HD11 LEU 28 5.014 15.369 -3.419 66 HD12 LEU 28 HD12 LEU 28 4.874 16.318 -4.899 67 HD13 LEU 28 HD13 LEU 28 6.219 15.197 -4.694 68 HD21 LEU 28 HD21 LEU 28 6.029 13.377 -6.104 69 HD22 LEU 28 HD22 LEU 28 4.631 12.311 -5.962 70 HD23 LEU 28 HD23 LEU 28 5.632 12.646 -4.548 71 H GLU 29 H GLU 29 1.846 16.063 -3.962 72 HA GLU 29 HA GLU 29 1.059 18.089 -4.699 73 HB2 GLU 29 HB2 GLU 29 2.187 18.883 -6.688 74 HB3 GLU 29 HB3 GLU 29 3.295 17.901 -5.741 75 HG2 GLU 29 HG2 GLU 29 3.199 16.123 -7.250 76 HG3 GLU 29 HG3 GLU 29 1.737 16.740 -8.019 77 H GLN 30 H GLN 30 -0.864 16.044 -5.028 78 HA GLN 30 HA GLN 30 -2.179 16.874 -7.530 79 HB2 GLN 30 HB2 GLN 30 -3.481 14.724 -7.291 80 HB3 GLN 30 HB3 GLN 30 -1.773 14.537 -7.662 81 HG2 GLN 30 HG2 GLN 30 -1.314 14.058 -5.312 82 HG3 GLN 30 HG3 GLN 30 -3.027 14.244 -4.941 83 HE21 GLN 30 HE21 GLN 30 -1.676 11.938 -4.323 84 HE22 GLN 30 HE22 GLN 30 -2.247 10.648 -5.321 85 H SER 31 H SER 31 -3.868 18.160 -7.270 86 HA SER 31 HA SER 31 -4.905 18.985 -4.838 87 HB2 SER 31 HB2 SER 31 -6.833 19.032 -7.068 88 HB3 SER 31 HB3 SER 31 -6.217 20.356 -6.080 89 HG SER 31 HG SER 31 -5.576 19.925 -8.515 90 H VAL 32 H VAL 32 -7.227 18.749 -4.133 91 HA VAL 32 HA VAL 32 -7.755 16.133 -3.355 92 HB VAL 32 HB VAL 32 -9.705 18.431 -3.579 93 HG11 VAL 32 HG11 VAL 32 -10.873 16.305 -3.424 94 HG12 VAL 32 HG12 VAL 32 -9.904 15.856 -2.020 95 HG13 VAL 32 HG13 VAL 32 -11.033 17.207 -1.918 96 HG21 VAL 32 HG21 VAL 32 -8.895 19.241 -1.652 97 HG22 VAL 32 HG22 VAL 32 -8.715 17.636 -0.942 98 HG23 VAL 32 HG23 VAL 32 -7.467 18.271 -2.014 99 H GLY 33 H GLY 33 -9.405 18.048 -5.875 100 HA2 GLY 33 HA2 GLY 33 -11.166 16.082 -6.759 101 HA3 GLY 33 HA3 GLY 33 -10.553 17.395 -7.753 102 H GLU 34 H GLU 34 -8.099 16.973 -8.353 103 HA GLU 34 HA GLU 34 -8.046 14.905 -10.191 104 HB2 GLU 34 HB2 GLU 34 -6.500 16.689 -10.452 105 HB3 GLU 34 HB3 GLU 34 -5.815 16.425 -8.855 106 HG2 GLU 34 HG2 GLU 34 -4.296 15.649 -10.563 107 HG3 GLU 34 HG3 GLU 34 -4.887 14.292 -9.605 108 H TRP 35 H TRP 35 -6.578 14.995 -6.953 109 HA TRP 35 HA TRP 35 -5.376 12.511 -6.929 110 HB2 TRP 35 HB2 TRP 35 -5.008 14.029 -5.110 111 HB3 TRP 35 HB3 TRP 35 -6.719 14.034 -4.693 112 HD1 TRP 35 HD1 TRP 35 -4.637 10.849 -5.323 113 HE1 TRP 35 HE1 TRP 35 -4.633 9.451 -3.162 114 HE3 TRP 35 HE3 TRP 35 -7.069 14.119 -2.238 115 HZ2 TRP 35 HZ2 TRP 35 -5.542 9.701 -0.501 116 HZ3 TRP 35 HZ3 TRP 35 -7.462 13.464 0.101 117 HH2 TRP 35 HH2 TRP 35 -6.715 11.299 0.949 118 H LEU 36 H LEU 36 -8.674 13.284 -5.811 119 HA LEU 36 HA LEU 36 -9.406 10.600 -5.317 120 HB2 LEU 36 HB2 LEU 36 -11.137 12.999 -5.897 121 HB3 LEU 36 HB3 LEU 36 -11.713 11.459 -5.258 122 HG LEU 36 HG LEU 36 -9.641 13.024 -3.768 123 HD11 LEU 36 HD11 LEU 36 -11.355 14.221 -2.575 124 HD12 LEU 36 HD12 LEU 36 -12.615 13.452 -3.538 125 HD13 LEU 36 HD13 LEU 36 -11.489 14.577 -4.297 126 HD21 LEU 36 HD21 LEU 36 -11.472 11.867 -2.044 127 HD22 LEU 36 HD22 LEU 36 -9.876 11.239 -2.456 128 HD23 LEU 36 HD23 LEU 36 -11.297 10.683 -3.341 129 H GLU 37 H GLU 37 -9.414 12.580 -8.178 130 HA GLU 37 HA GLU 37 -11.211 11.025 -9.721 131 HB2 GLU 37 HB2 GLU 37 -9.599 13.354 -10.091 132 HB3 GLU 37 HB3 GLU 37 -9.288 12.248 -11.421 133 HG2 GLU 37 HG2 GLU 37 -12.102 12.387 -10.922 134 HG3 GLU 37 HG3 GLU 37 -11.444 14.011 -11.112 135 H SER 38 H SER 38 -7.840 10.722 -8.940 136 HA SER 38 HA SER 38 -7.153 8.932 -11.047 137 HB2 SER 38 HB2 SER 38 -5.303 10.006 -10.104 138 HB3 SER 38 HB3 SER 38 -5.862 9.730 -8.455 139 HG SER 38 HG SER 38 -4.654 8.025 -8.481 140 H ILE 39 H ILE 39 -8.732 8.582 -8.006 141 HA ILE 39 HA ILE 39 -8.424 5.661 -8.098 142 HB ILE 39 HB ILE 39 -9.348 5.669 -5.806 143 HG12 ILE 39 HG12 ILE 39 -9.183 8.679 -6.076 144 HG13 ILE 39 HG13 ILE 39 -10.669 7.740 -5.988 145 HG21 ILE 39 HG21 ILE 39 -6.859 5.950 -6.442 146 HG22 ILE 39 HG22 ILE 39 -7.061 7.600 -5.856 147 HG23 ILE 39 HG23 ILE 39 -7.348 6.238 -4.773 148 HD11 ILE 39 HD11 ILE 39 -10.314 8.648 -3.845 149 HD12 ILE 39 HD12 ILE 39 -9.882 6.941 -3.732 150 HD13 ILE 39 HD13 ILE 39 -8.618 8.165 -3.840 151 H GLY 40 H GLY 40 -10.681 8.218 -8.574 152 HA2 GLY 40 HA2 GLY 40 -12.695 7.871 -9.799 153 HA3 GLY 40 HA3 GLY 40 -12.750 6.226 -9.184 154 H LEU 41 H LEU 41 -12.020 8.750 -6.954 155 HA LEU 41 HA LEU 41 -14.742 8.525 -5.852 156 HB2 LEU 41 HB2 LEU 41 -12.188 9.110 -4.364 157 HB3 LEU 41 HB3 LEU 41 -13.789 8.901 -3.657 158 HG LEU 41 HG LEU 41 -12.083 6.782 -4.959 159 HD11 LEU 41 HD11 LEU 41 -11.512 6.116 -2.900 160 HD12 LEU 41 HD12 LEU 41 -13.122 6.418 -2.246 161 HD13 LEU 41 HD13 LEU 41 -11.976 7.748 -2.416 162 HD21 LEU 41 HD21 LEU 41 -13.906 5.236 -4.308 163 HD22 LEU 41 HD22 LEU 41 -14.376 6.375 -5.569 164 HD23 LEU 41 HD23 LEU 41 -14.905 6.632 -3.906 165 H GLN 42 H GLN 42 -13.276 10.506 -7.742 166 HA GLN 42 HA GLN 42 -13.005 12.986 -6.533 167 HB2 GLN 42 HB2 GLN 42 -12.560 12.218 -8.984 168 HB3 GLN 42 HB3 GLN 42 -14.217 12.735 -9.265 169 HG2 GLN 42 HG2 GLN 42 -12.894 14.795 -7.839 170 HG3 GLN 42 HG3 GLN 42 -11.857 14.301 -9.177 171 HE21 GLN 42 HE21 GLN 42 -12.190 16.272 -10.223 172 HE22 GLN 42 HE22 GLN 42 -13.672 16.636 -11.031 173 H GLN 43 H GLN 43 -15.858 11.172 -7.201 174 HA GLN 43 HA GLN 43 -17.751 13.248 -7.311 175 HB2 GLN 43 HB2 GLN 43 -19.400 11.520 -6.731 176 HB3 GLN 43 HB3 GLN 43 -18.294 10.971 -7.983 177 HG2 GLN 43 HG2 GLN 43 -17.143 10.207 -5.545 178 HG3 GLN 43 HG3 GLN 43 -18.859 9.822 -5.423 179 HE21 GLN 43 HE21 GLN 43 -16.603 8.018 -5.578 180 HE22 GLN 43 HE22 GLN 43 -16.852 7.039 -6.978 181 H TYR 44 H TYR 44 -16.187 11.629 -4.630 182 HA TYR 44 HA TYR 44 -17.914 12.858 -2.659 183 HB2 TYR 44 HB2 TYR 44 -16.036 10.685 -2.712 184 HB3 TYR 44 HB3 TYR 44 -15.610 11.792 -1.412 185 HD1 TYR 44 HD1 TYR 44 -17.482 12.451 0.228 186 HD2 TYR 44 HD2 TYR 44 -17.752 9.130 -2.418 187 HE1 TYR 44 HE1 TYR 44 -19.244 11.478 1.639 188 HE2 TYR 44 HE2 TYR 44 -19.516 8.148 -1.014 189 HH TYR 44 HH TYR 44 -20.348 8.255 1.239 190 H GLU 45 H GLU 45 -15.674 14.133 -4.559 191 HA GLU 45 HA GLU 45 -13.757 15.379 -3.022 192 HB2 GLU 45 HB2 GLU 45 -13.692 15.574 -5.410 193 HB3 GLU 45 HB3 GLU 45 -15.249 16.389 -5.443 194 HG2 GLU 45 HG2 GLU 45 -14.324 18.342 -4.425 195 HG3 GLU 45 HG3 GLU 45 -12.788 17.525 -4.142 196 H SER 46 H SER 46 -16.969 16.684 -3.855 197 HA SER 46 HA SER 46 -16.862 19.041 -2.433 198 HB2 SER 46 HB2 SER 46 -19.339 17.322 -2.620 199 HB3 SER 46 HB3 SER 46 -19.253 19.080 -2.511 200 HG SER 46 HG SER 46 -18.300 19.096 -4.577 201 H LYS 47 H LYS 47 -18.233 15.962 -1.266 202 HA LYS 47 HA LYS 47 -18.745 16.758 1.348 203 HB2 LYS 47 HB2 LYS 47 -18.628 14.271 -0.122 204 HB3 LYS 47 HB3 LYS 47 -17.984 14.062 1.501 205 HG2 LYS 47 HG2 LYS 47 -20.269 13.562 1.655 206 HG3 LYS 47 HG3 LYS 47 -20.095 15.182 2.335 207 HD2 LYS 47 HD2 LYS 47 -21.892 15.538 0.972 208 HD3 LYS 47 HD3 LYS 47 -20.592 15.889 -0.169 209 HE2 LYS 47 HE2 LYS 47 -20.820 13.235 -0.529 210 HE3 LYS 47 HE3 LYS 47 -22.477 13.617 -0.070 211 HZ1 LYS 47 HZ1 LYS 47 -22.259 13.763 -2.434 212 HZ2 LYS 47 HZ2 LYS 47 -20.939 14.814 -2.308 213 HZ3 LYS 47 HZ3 LYS 47 -22.478 15.327 -1.827 214 H LEU 48 H LEU 48 -15.791 15.456 -0.086 215 HA LEU 48 HA LEU 48 -14.378 15.358 2.409 216 HB2 LEU 48 HB2 LEU 48 -14.000 14.046 0.166 217 HB3 LEU 48 HB3 LEU 48 -12.989 15.435 -0.228 218 HG LEU 48 HG LEU 48 -12.483 14.129 2.379 219 HD11 LEU 48 HD11 LEU 48 -11.481 12.854 -0.151 220 HD12 LEU 48 HD12 LEU 48 -12.902 12.268 0.714 221 HD13 LEU 48 HD13 LEU 48 -11.327 12.272 1.506 222 HD21 LEU 48 HD21 LEU 48 -10.951 15.513 0.224 223 HD22 LEU 48 HD22 LEU 48 -10.105 14.447 1.346 224 HD23 LEU 48 HD23 LEU 48 -11.001 15.838 1.957 225 H LEU 49 H LEU 49 -15.330 17.870 0.469 226 HA LEU 49 HA LEU 49 -12.995 19.526 1.125 227 HB2 LEU 49 HB2 LEU 49 -13.461 19.691 -1.165 228 HB3 LEU 49 HB3 LEU 49 -15.199 19.787 -0.891 229 HG LEU 49 HG LEU 49 -14.944 22.051 -0.012 230 HD11 LEU 49 HD11 LEU 49 -12.922 22.372 0.953 231 HD12 LEU 49 HD12 LEU 49 -12.533 23.011 -0.643 232 HD13 LEU 49 HD13 LEU 49 -12.075 21.362 -0.218 233 HD21 LEU 49 HD21 LEU 49 -13.855 21.412 -2.728 234 HD22 LEU 49 HD22 LEU 49 -13.992 23.081 -2.177 235 HD23 LEU 49 HD23 LEU 49 -15.431 22.066 -2.283 236 H LEU 50 H LEU 50 -16.423 19.155 1.667 237 HA LEU 50 HA LEU 50 -16.628 21.676 3.092 238 HB2 LEU 50 HB2 LEU 50 -18.431 19.899 1.810 239 HB3 LEU 50 HB3 LEU 50 -18.905 20.020 3.503 240 HG LEU 50 HG LEU 50 -18.689 22.262 1.500 241 HD11 LEU 50 HD11 LEU 50 -21.054 22.486 1.813 242 HD12 LEU 50 HD12 LEU 50 -21.052 21.250 3.070 243 HD13 LEU 50 HD13 LEU 50 -20.701 20.808 1.400 244 HD21 LEU 50 HD21 LEU 50 -19.843 23.323 3.735 245 HD22 LEU 50 HD22 LEU 50 -18.157 23.536 3.264 246 HD23 LEU 50 HD23 LEU 50 -18.597 22.283 4.424 247 H ASN 51 H ASN 51 -15.665 18.537 3.786 248 HA ASN 51 HA ASN 51 -16.478 18.692 6.594 249 HB2 ASN 51 HB2 ASN 51 -15.606 16.497 4.779 250 HB3 ASN 51 HB3 ASN 51 -15.233 16.333 6.492 251 HD21 ASN 51 HD21 ASN 51 -17.801 16.690 4.145 252 HD22 ASN 51 HD22 ASN 51 -19.064 16.069 5.148 253 H GLY 52 H GLY 52 -14.322 20.321 5.249 254 HA2 GLY 52 HA2 GLY 52 -12.192 21.057 5.695 255 HA3 GLY 52 HA3 GLY 52 -12.538 20.547 7.341 256 H PHE 53 H PHE 53 -11.588 19.173 4.195 257 HA PHE 53 HA PHE 53 -9.366 17.807 5.416 258 HB2 PHE 53 HB2 PHE 53 -11.725 16.423 5.462 259 HB3 PHE 53 HB3 PHE 53 -11.030 15.883 3.937 260 HD1 PHE 53 HD1 PHE 53 -8.175 15.821 4.530 261 HD2 PHE 53 HD2 PHE 53 -11.492 14.653 6.927 262 HE1 PHE 53 HE1 PHE 53 -6.735 14.239 5.745 263 HE2 PHE 53 HE2 PHE 53 -10.058 13.069 8.147 264 HZ PHE 53 HZ PHE 53 -7.675 12.861 7.558 265 H ASP 54 H ASP 54 -10.071 19.740 3.228 266 HA ASP 54 HA ASP 54 -9.400 18.379 0.779 267 HB2 ASP 54 HB2 ASP 54 -9.817 20.389 -0.299 268 HB3 ASP 54 HB3 ASP 54 -10.845 20.533 1.124 269 H ASP 55 H ASP 55 -7.671 19.722 3.377 270 HA ASP 55 HA ASP 55 -5.342 20.592 2.012 271 HB2 ASP 55 HB2 ASP 55 -5.886 19.793 4.866 272 HB3 ASP 55 HB3 ASP 55 -4.277 20.264 4.324 273 H VAL 56 H VAL 56 -4.392 19.183 0.650 274 HA VAL 56 HA VAL 56 -4.244 16.407 0.955 275 HB VAL 56 HB VAL 56 -2.334 18.198 -0.555 276 HG11 VAL 56 HG11 VAL 56 -1.272 16.128 -0.430 277 HG12 VAL 56 HG12 VAL 56 -2.789 15.235 -0.547 278 HG13 VAL 56 HG13 VAL 56 -2.137 16.056 -1.966 279 HG21 VAL 56 HG21 VAL 56 -5.090 17.595 -0.985 280 HG22 VAL 56 HG22 VAL 56 -4.010 18.593 -1.959 281 HG23 VAL 56 HG23 VAL 56 -4.133 16.861 -2.272 282 H HIS 57 H HIS 57 -2.453 18.916 2.462 283 HA HIS 57 HA HIS 57 -0.275 17.135 3.233 284 HB2 HIS 57 HB2 HIS 57 -0.750 20.082 3.394 285 HB3 HIS 57 HB3 HIS 57 0.397 19.346 4.508 286 HD1 HIS 57 HD1 HIS 57 0.039 20.519 1.054 287 HD2 HIS 57 HD2 HIS 57 2.640 18.083 3.189 288 HE1 HIS 57 HE1 HIS 57 2.081 20.284 -0.395 289 H PHE 58 H PHE 58 -3.190 17.061 4.192 290 HA PHE 58 HA PHE 58 -2.601 17.139 7.079 291 HB2 PHE 58 HB2 PHE 58 -4.728 18.322 5.615 292 HB3 PHE 58 HB3 PHE 58 -5.417 17.025 6.587 293 HD1 PHE 58 HD1 PHE 58 -2.995 19.841 6.938 294 HD2 PHE 58 HD2 PHE 58 -6.101 17.536 8.713 295 HE1 PHE 58 HE1 PHE 58 -2.945 21.303 8.917 296 HE2 PHE 58 HE2 PHE 58 -6.057 18.994 10.693 297 HZ PHE 58 HZ PHE 58 -4.478 20.882 10.797 298 H LEU 59 H LEU 59 -3.641 15.234 4.405 299 HA LEU 59 HA LEU 59 -5.054 13.178 5.582 300 HB2 LEU 59 HB2 LEU 59 -2.970 12.861 3.430 301 HB3 LEU 59 HB3 LEU 59 -4.320 11.777 3.759 302 HG LEU 59 HG LEU 59 -4.812 14.626 2.970 303 HD11 LEU 59 HD11 LEU 59 -4.317 12.320 1.093 304 HD12 LEU 59 HD12 LEU 59 -3.301 13.749 1.281 305 HD13 LEU 59 HD13 LEU 59 -4.934 13.906 0.634 306 HD21 LEU 59 HD21 LEU 59 -6.351 12.044 2.774 307 HD22 LEU 59 HD22 LEU 59 -6.859 13.549 2.007 308 HD23 LEU 59 HD23 LEU 59 -6.728 13.456 3.763 309 H GLY 60 H GLY 60 -1.518 13.366 5.142 310 HA2 GLY 60 HA2 GLY 60 -1.144 11.047 6.856 311 HA3 GLY 60 HA3 GLY 60 0.115 11.935 6.010 312 H SER 61 H SER 61 -2.357 12.924 8.375 313 HA SER 61 HA SER 61 -0.278 13.532 10.319 314 HB2 SER 61 HB2 SER 61 -0.816 15.550 8.701 315 HB3 SER 61 HB3 SER 61 -2.224 15.732 9.747 316 HG SER 61 HG SER 61 -0.933 16.167 11.440 317 H ASN 62 H ASN 62 -3.708 14.364 9.791 318 HA ASN 62 HA ASN 62 -4.468 14.042 12.469 319 HB2 ASN 62 HB2 ASN 62 -6.642 14.435 11.759 320 HB3 ASN 62 HB3 ASN 62 -5.710 15.161 10.453 321 HD21 ASN 62 HD21 ASN 62 -8.427 13.789 10.736 322 HD22 ASN 62 HD22 ASN 62 -8.460 12.688 9.405 323 H VAL 63 H VAL 63 -6.604 12.412 12.653 324 HA VAL 63 HA VAL 63 -5.491 9.895 13.150 325 HB VAL 63 HB VAL 63 -7.468 10.586 14.333 326 HG11 VAL 63 HG11 VAL 63 -9.585 10.967 13.326 327 HG12 VAL 63 HG12 VAL 63 -8.408 11.898 12.398 328 HG13 VAL 63 HG13 VAL 63 -9.025 10.371 11.764 329 HG21 VAL 63 HG21 VAL 63 -8.790 8.439 12.885 330 HG22 VAL 63 HG22 VAL 63 -7.098 8.083 13.232 331 HG23 VAL 63 HG23 VAL 63 -8.201 8.487 14.546 332 H MET 64 H MET 64 -7.511 11.018 10.454 333 HA MET 64 HA MET 64 -8.071 10.044 8.465 334 HB2 MET 64 HB2 MET 64 -5.616 10.629 8.235 335 HB3 MET 64 HB3 MET 64 -5.266 8.938 8.567 336 HG2 MET 64 HG2 MET 64 -5.216 9.243 6.216 337 HG3 MET 64 HG3 MET 64 -6.672 8.331 6.608 338 HE1 MET 64 HE1 MET 64 -8.917 9.792 4.363 339 HE2 MET 64 HE2 MET 64 -7.333 9.703 3.595 340 HE3 MET 64 HE3 MET 64 -7.811 8.480 4.772 341 H GLU 65 H GLU 65 -9.290 8.573 10.207 342 HA GLU 65 HA GLU 65 -8.605 5.780 9.557 343 HB2 GLU 65 HB2 GLU 65 -8.508 6.660 12.028 344 HB3 GLU 65 HB3 GLU 65 -10.257 6.494 11.950 345 HG2 GLU 65 HG2 GLU 65 -10.171 4.272 12.099 346 HG3 GLU 65 HG3 GLU 65 -8.821 4.152 10.971 347 H GLU 66 H GLU 66 -10.602 4.315 9.778 348 HA GLU 66 HA GLU 66 -12.420 4.890 7.798 349 HB2 GLU 66 HB2 GLU 66 -13.879 3.135 8.910 350 HB3 GLU 66 HB3 GLU 66 -12.239 2.642 8.514 351 HG2 GLU 66 HG2 GLU 66 -11.557 2.929 10.813 352 HG3 GLU 66 HG3 GLU 66 -13.156 3.539 11.236 353 H GLN 67 H GLN 67 -12.581 5.692 11.210 354 HA GLN 67 HA GLN 67 -15.283 6.465 11.318 355 HB2 GLN 67 HB2 GLN 67 -13.659 6.081 13.257 356 HB3 GLN 67 HB3 GLN 67 -13.083 7.715 12.954 357 HG2 GLN 67 HG2 GLN 67 -14.744 8.559 14.136 358 HG3 GLN 67 HG3 GLN 67 -15.928 7.754 13.106 359 HE21 GLN 67 HE21 GLN 67 -16.495 5.549 13.647 360 HE22 GLN 67 HE22 GLN 67 -16.460 5.046 15.299 361 H ASP 68 H ASP 68 -12.340 8.298 10.595 362 HA ASP 68 HA ASP 68 -13.559 10.828 10.387 363 HB2 ASP 68 HB2 ASP 68 -10.986 9.914 10.297 364 HB3 ASP 68 HB3 ASP 68 -11.259 10.348 8.612 365 H LEU 69 H LEU 69 -12.833 8.358 7.944 366 HA LEU 69 HA LEU 69 -13.878 9.867 5.766 367 HB2 LEU 69 HB2 LEU 69 -13.716 6.883 5.756 368 HB3 LEU 69 HB3 LEU 69 -13.429 8.019 4.440 369 HG LEU 69 HG LEU 69 -11.593 7.391 6.747 370 HD11 LEU 69 HD11 LEU 69 -10.225 7.115 4.386 371 HD12 LEU 69 HD12 LEU 69 -11.829 6.506 3.980 372 HD13 LEU 69 HD13 LEU 69 -10.933 5.802 5.327 373 HD21 LEU 69 HD21 LEU 69 -11.574 9.798 6.239 374 HD22 LEU 69 HD22 LEU 69 -11.222 9.426 4.552 375 HD23 LEU 69 HD23 LEU 69 -10.055 9.010 5.809 376 H ARG 70 H ARG 70 -15.256 7.755 8.142 377 HA ARG 70 HA ARG 70 -17.677 7.215 6.705 378 HB2 ARG 70 HB2 ARG 70 -16.741 5.742 8.503 379 HB3 ARG 70 HB3 ARG 70 -17.175 6.980 9.674 380 HG2 ARG 70 HG2 ARG 70 -19.319 6.367 9.698 381 HG3 ARG 70 HG3 ARG 70 -19.387 6.200 7.942 382 HD2 ARG 70 HD2 ARG 70 -17.837 4.080 8.589 383 HD3 ARG 70 HD3 ARG 70 -18.857 4.185 10.024 384 HE ARG 70 HE ARG 70 -20.492 4.354 7.759 385 HH11 ARG 70 HH11 ARG 70 -18.452 2.057 9.397 386 HH12 ARG 70 HH12 ARG 70 -19.352 0.678 8.861 387 HH21 ARG 70 HH21 ARG 70 -21.686 2.545 7.047 388 HH22 ARG 70 HH22 ARG 70 -21.191 0.956 7.524 389 H ASP 71 H ASP 71 -16.661 9.520 9.175 390 HA ASP 71 HA ASP 71 -19.203 10.614 9.712 391 HB2 ASP 71 HB2 ASP 71 -17.206 10.936 11.154 392 HB3 ASP 71 HB3 ASP 71 -16.511 11.980 9.917 393 H ILE 72 H ILE 72 -16.760 11.348 7.291 394 HA ILE 72 HA ILE 72 -18.061 13.712 6.336 395 HB ILE 72 HB ILE 72 -16.484 13.592 4.455 396 HG12 ILE 72 HG12 ILE 72 -15.482 11.045 5.744 397 HG13 ILE 72 HG13 ILE 72 -16.484 11.091 4.297 398 HG21 ILE 72 HG21 ILE 72 -14.919 12.969 6.930 399 HG22 ILE 72 HG22 ILE 72 -14.597 14.169 5.679 400 HG23 ILE 72 HG23 ILE 72 -15.909 14.424 6.829 401 HD11 ILE 72 HD11 ILE 72 -13.873 12.548 4.420 402 HD12 ILE 72 HD12 ILE 72 -13.958 10.832 4.019 403 HD13 ILE 72 HD13 ILE 72 -14.786 12.016 3.009 404 H GLY 73 H GLY 73 -18.455 10.342 5.810 405 HA2 GLY 73 HA2 GLY 73 -20.754 10.010 4.717 406 HA3 GLY 73 HA3 GLY 73 -20.011 10.840 3.358 407 H ILE 74 H ILE 74 -17.446 9.651 3.524 408 HA ILE 74 HA ILE 74 -17.841 7.343 1.987 409 HB ILE 74 HB ILE 74 -15.342 8.075 3.515 410 HG12 ILE 74 HG12 ILE 74 -16.163 8.849 0.706 411 HG13 ILE 74 HG13 ILE 74 -16.179 9.930 2.095 412 HG21 ILE 74 HG21 ILE 74 -14.692 6.899 1.077 413 HG22 ILE 74 HG22 ILE 74 -14.558 6.172 2.677 414 HG23 ILE 74 HG23 ILE 74 -16.015 5.924 1.715 415 HD11 ILE 74 HD11 ILE 74 -14.204 10.448 0.999 416 HD12 ILE 74 HD12 ILE 74 -13.684 9.372 2.297 417 HD13 ILE 74 HD13 ILE 74 -13.840 8.758 0.651 418 H SER 75 H SER 75 -19.067 5.777 2.953 419 HA SER 75 HA SER 75 -17.987 4.586 5.424 420 HB2 SER 75 HB2 SER 75 -20.293 3.650 5.737 421 HB3 SER 75 HB3 SER 75 -20.224 5.411 5.796 422 HG SER 75 HG SER 75 -21.877 5.007 4.449 423 H ASP 76 H ASP 76 -18.223 4.153 2.142 424 HA ASP 76 HA ASP 76 -18.698 1.332 2.047 425 HB2 ASP 76 HB2 ASP 76 -18.151 3.479 0.143 426 HB3 ASP 76 HB3 ASP 76 -17.352 1.969 -0.285 427 HA PRO 77 HA PRO 77 -14.709 -0.228 3.010 428 HB2 PRO 77 HB2 PRO 77 -14.687 -2.491 1.508 429 HB3 PRO 77 HB3 PRO 77 -15.661 -2.319 2.972 430 HG2 PRO 77 HG2 PRO 77 -16.481 -2.037 0.107 431 HG3 PRO 77 HG3 PRO 77 -17.326 -2.851 1.437 432 HD2 PRO 77 HD2 PRO 77 -18.005 -0.374 0.579 433 HD3 PRO 77 HD3 PRO 77 -18.174 -0.877 2.273 434 H GLN 78 H GLN 78 -15.496 -0.400 -0.465 435 HA GLN 78 HA GLN 78 -12.774 -0.381 -1.298 436 HB2 GLN 78 HB2 GLN 78 -15.223 0.341 -2.913 437 HB3 GLN 78 HB3 GLN 78 -13.650 -0.129 -3.544 438 HG2 GLN 78 HG2 GLN 78 -13.937 -2.349 -2.502 439 HG3 GLN 78 HG3 GLN 78 -15.555 -1.866 -1.994 440 HE21 GLN 78 HE21 GLN 78 -13.958 -3.594 -4.214 441 HE22 GLN 78 HE22 GLN 78 -15.059 -3.493 -5.541 442 H HIS 79 H HIS 79 -14.797 2.028 -0.112 443 HA HIS 79 HA HIS 79 -13.376 4.168 -1.525 444 HB2 HIS 79 HB2 HIS 79 -15.848 4.206 0.213 445 HB3 HIS 79 HB3 HIS 79 -15.086 5.656 -0.436 446 HD1 HIS 79 HD1 HIS 79 -17.680 5.721 -1.461 447 HD2 HIS 79 HD2 HIS 79 -14.959 3.071 -3.147 448 HE1 HIS 79 HE1 HIS 79 -18.618 5.142 -3.722 449 H ARG 80 H ARG 80 -13.871 2.774 1.649 450 HA ARG 80 HA ARG 80 -12.472 4.866 3.040 451 HB2 ARG 80 HB2 ARG 80 -13.925 2.429 3.736 452 HB3 ARG 80 HB3 ARG 80 -12.491 2.674 4.723 453 HG2 ARG 80 HG2 ARG 80 -13.345 5.019 5.144 454 HG3 ARG 80 HG3 ARG 80 -14.864 4.487 4.418 455 HD2 ARG 80 HD2 ARG 80 -13.569 3.009 6.691 456 HD3 ARG 80 HD3 ARG 80 -14.672 4.359 6.958 457 HE ARG 80 HE ARG 80 -16.439 3.043 6.218 458 HH11 ARG 80 HH11 ARG 80 -13.402 1.374 5.878 459 HH12 ARG 80 HH12 ARG 80 -14.133 -0.174 5.610 460 HH21 ARG 80 HH21 ARG 80 -17.413 1.010 5.866 461 HH22 ARG 80 HH22 ARG 80 -16.415 -0.379 5.604 462 H ARG 81 H ARG 81 -11.722 1.601 1.909 463 HA ARG 81 HA ARG 81 -9.124 1.495 3.053 464 HB2 ARG 81 HB2 ARG 81 -10.715 -0.380 2.032 465 HB3 ARG 81 HB3 ARG 81 -9.755 -0.061 0.594 466 HG2 ARG 81 HG2 ARG 81 -8.599 -1.787 1.580 467 HG3 ARG 81 HG3 ARG 81 -7.730 -0.373 2.180 468 HD2 ARG 81 HD2 ARG 81 -9.057 -0.467 4.251 469 HD3 ARG 81 HD3 ARG 81 -9.870 -1.911 3.649 470 HE ARG 81 HE ARG 81 -7.079 -2.308 3.620 471 HH11 ARG 81 HH11 ARG 81 -9.755 -2.035 5.831 472 HH12 ARG 81 HH12 ARG 81 -9.022 -3.027 7.046 473 HH21 ARG 81 HH21 ARG 81 -6.103 -3.615 5.213 474 HH22 ARG 81 HH22 ARG 81 -6.943 -3.924 6.694 475 H LYS 82 H LYS 82 -10.393 2.578 -0.040 476 HA LYS 82 HA LYS 82 -7.902 2.851 -1.360 477 HB2 LYS 82 HB2 LYS 82 -10.365 2.881 -2.279 478 HB3 LYS 82 HB3 LYS 82 -10.234 4.613 -2.006 479 HG2 LYS 82 HG2 LYS 82 -9.038 4.891 -3.852 480 HG3 LYS 82 HG3 LYS 82 -7.918 3.603 -3.398 481 HD2 LYS 82 HD2 LYS 82 -9.670 1.968 -4.194 482 HD3 LYS 82 HD3 LYS 82 -10.533 3.351 -4.871 483 HE2 LYS 82 HE2 LYS 82 -9.313 2.943 -6.710 484 HE3 LYS 82 HE3 LYS 82 -8.019 3.755 -5.831 485 HZ1 LYS 82 HZ1 LYS 82 -8.492 0.830 -6.002 486 HZ2 LYS 82 HZ2 LYS 82 -7.340 1.545 -4.991 487 HZ3 LYS 82 HZ3 LYS 82 -7.199 1.693 -6.670 488 H LEU 83 H LEU 83 -9.959 5.183 0.364 489 HA LEU 83 HA LEU 83 -8.267 7.408 -0.013 490 HB2 LEU 83 HB2 LEU 83 -10.759 6.978 1.058 491 HB3 LEU 83 HB3 LEU 83 -9.801 7.413 2.471 492 HG LEU 83 HG LEU 83 -9.096 9.482 1.192 493 HD11 LEU 83 HD11 LEU 83 -11.495 9.401 -0.459 494 HD12 LEU 83 HD12 LEU 83 -10.276 8.218 -0.934 495 HD13 LEU 83 HD13 LEU 83 -9.859 9.930 -0.855 496 HD21 LEU 83 HD21 LEU 83 -10.560 10.283 2.664 497 HD22 LEU 83 HD22 LEU 83 -11.595 8.862 2.518 498 HD23 LEU 83 HD23 LEU 83 -11.766 10.200 1.380 499 H LEU 84 H LEU 84 -8.237 4.779 2.258 500 HA LEU 84 HA LEU 84 -6.412 6.063 4.086 501 HB2 LEU 84 HB2 LEU 84 -7.995 3.650 4.010 502 HB3 LEU 84 HB3 LEU 84 -6.350 3.313 4.548 503 HG LEU 84 HG LEU 84 -6.574 4.719 6.433 504 HD11 LEU 84 HD11 LEU 84 -9.095 5.777 6.520 505 HD12 LEU 84 HD12 LEU 84 -8.657 5.979 4.824 506 HD13 LEU 84 HD13 LEU 84 -7.629 6.656 6.087 507 HD21 LEU 84 HD21 LEU 84 -8.563 3.812 7.570 508 HD22 LEU 84 HD22 LEU 84 -7.654 2.571 6.707 509 HD23 LEU 84 HD23 LEU 84 -9.150 3.204 6.021 510 H GLN 85 H GLN 85 -6.229 3.876 1.366 511 HA GLN 85 HA GLN 85 -3.463 3.207 1.805 512 HB2 GLN 85 HB2 GLN 85 -5.418 1.934 0.491 513 HB3 GLN 85 HB3 GLN 85 -4.710 2.809 -0.861 514 HG2 GLN 85 HG2 GLN 85 -2.757 1.638 -0.784 515 HG3 GLN 85 HG3 GLN 85 -2.891 1.312 0.943 516 HE21 GLN 85 HE21 GLN 85 -3.860 0.330 -2.247 517 HE22 GLN 85 HE22 GLN 85 -4.477 -1.222 -1.802 518 H ALA 86 H ALA 86 -5.283 5.444 -0.210 519 HA ALA 86 HA ALA 86 -2.979 6.324 -1.687 520 HB1 ALA 86 HB1 ALA 86 -5.602 6.400 -2.229 521 HB2 ALA 86 HB2 ALA 86 -5.386 8.034 -1.600 522 HB3 ALA 86 HB3 ALA 86 -4.430 7.486 -2.976 523 H ALA 87 H ALA 87 -4.382 7.074 1.341 524 HA ALA 87 HA ALA 87 -3.243 9.738 1.491 525 HB1 ALA 87 HB1 ALA 87 -4.871 8.060 3.368 526 HB2 ALA 87 HB2 ALA 87 -4.097 9.552 3.901 527 HB3 ALA 87 HB3 ALA 87 -5.290 9.593 2.603 528 H ARG 88 H ARG 88 -2.675 6.534 2.882 529 HA ARG 88 HA ARG 88 -0.483 7.399 4.511 530 HB2 ARG 88 HB2 ARG 88 -0.223 5.112 5.110 531 HB3 ARG 88 HB3 ARG 88 -1.952 5.400 4.974 532 HG2 ARG 88 HG2 ARG 88 -1.760 4.481 2.611 533 HG3 ARG 88 HG3 ARG 88 -0.155 3.922 3.083 534 HD2 ARG 88 HD2 ARG 88 -1.384 2.864 5.100 535 HD3 ARG 88 HD3 ARG 88 -2.834 3.080 4.122 536 HE ARG 88 HE ARG 88 -1.011 1.815 2.492 537 HH11 ARG 88 HH11 ARG 88 -2.569 1.158 5.536 538 HH12 ARG 88 HH12 ARG 88 -2.542 -0.561 5.327 539 HH21 ARG 88 HH21 ARG 88 -0.970 -0.447 2.206 540 HH22 ARG 88 HH22 ARG 88 -1.632 -1.474 3.433 541 H SER 89 H SER 89 -0.864 6.455 1.232 542 HA SER 89 HA SER 89 1.803 5.552 0.774 543 HB2 SER 89 HB2 SER 89 0.027 4.862 -0.728 544 HB3 SER 89 HB3 SER 89 -0.323 6.540 -1.142 545 HG SER 89 HG SER 89 1.509 6.656 -2.299 546 H LEU 90 H LEU 90 0.536 8.576 1.409 547 HA LEU 90 HA LEU 90 2.170 10.164 -0.310 548 HB2 LEU 90 HB2 LEU 90 0.376 10.649 2.000 549 HB3 LEU 90 HB3 LEU 90 1.574 11.887 1.629 550 HG LEU 90 HG LEU 90 0.318 11.273 -0.807 551 HD11 LEU 90 HD11 LEU 90 -1.958 11.294 -0.471 552 HD12 LEU 90 HD12 LEU 90 -1.822 11.961 1.156 553 HD13 LEU 90 HD13 LEU 90 -1.416 10.270 0.858 554 HD21 LEU 90 HD21 LEU 90 -0.583 13.590 -0.524 555 HD22 LEU 90 HD22 LEU 90 1.158 13.441 -0.284 556 HD23 LEU 90 HD23 LEU 90 0.085 13.585 1.109 557 HA PRO 91 HA PRO 91 5.980 10.344 1.859 558 HB2 PRO 91 HB2 PRO 91 6.669 12.960 1.622 559 HB3 PRO 91 HB3 PRO 91 6.711 11.827 0.265 560 HG2 PRO 91 HG2 PRO 91 4.618 13.840 0.987 561 HG3 PRO 91 HG3 PRO 91 5.292 13.450 -0.606 562 HD2 PRO 91 HD2 PRO 91 2.898 12.503 0.234 563 HD3 PRO 91 HD3 PRO 91 3.961 11.586 -0.853 564 H LYS 92 H LYS 92 7.124 11.274 3.702 565 HA LYS 92 HA LYS 92 5.609 11.450 6.003 566 HB2 LYS 92 HB2 LYS 92 7.650 12.424 7.062 567 HB3 LYS 92 HB3 LYS 92 7.957 10.964 6.131 568 HG2 LYS 92 HG2 LYS 92 8.266 13.247 4.439 569 HG3 LYS 92 HG3 LYS 92 9.223 13.461 5.907 570 HD2 LYS 92 HD2 LYS 92 9.315 10.835 4.499 571 HD3 LYS 92 HD3 LYS 92 10.207 12.198 3.819 572 HE2 LYS 92 HE2 LYS 92 10.722 12.162 6.597 573 HE3 LYS 92 HE3 LYS 92 10.898 10.506 6.017 574 HZ1 LYS 92 HZ1 LYS 92 12.252 11.697 4.141 575 HZ2 LYS 92 HZ2 LYS 92 12.976 11.317 5.621 576 HZ3 LYS 92 HZ3 LYS 92 12.446 12.895 5.319 577 H VAL 93 H VAL 93 4.956 13.146 7.350 578 HA VAL 93 HA VAL 93 3.925 15.425 6.042 579 HB VAL 93 HB VAL 93 2.955 14.418 8.107 580 HG11 VAL 93 HG11 VAL 93 5.463 14.543 9.120 581 HG12 VAL 93 HG12 VAL 93 4.731 15.966 9.864 582 HG13 VAL 93 HG13 VAL 93 4.004 14.375 10.096 583 HG21 VAL 93 HG21 VAL 93 1.865 16.340 8.349 584 HG22 VAL 93 HG22 VAL 93 3.272 17.105 9.086 585 HG23 VAL 93 HG23 VAL 93 3.087 17.103 7.332 586 H LYS 94 H LYS 94 4.612 17.507 5.917 587 HA LYS 94 HA LYS 94 7.350 18.070 6.005 588 HB2 LYS 94 HB2 LYS 94 6.756 20.350 5.534 589 HB3 LYS 94 HB3 LYS 94 5.654 19.303 4.650 590 HG2 LYS 94 HG2 LYS 94 3.937 19.668 6.343 591 HG3 LYS 94 HG3 LYS 94 5.044 20.704 7.247 592 HD2 LYS 94 HD2 LYS 94 4.974 22.387 5.641 593 HD3 LYS 94 HD3 LYS 94 4.400 21.293 4.380 594 HE2 LYS 94 HE2 LYS 94 2.401 22.227 4.815 595 HE3 LYS 94 HE3 LYS 94 2.382 21.106 6.175 596 HZ1 LYS 94 HZ1 LYS 94 1.839 23.294 6.941 597 HZ2 LYS 94 HZ2 LYS 94 3.232 23.949 6.241 598 HZ3 LYS 94 HZ3 LYS 94 3.364 22.881 7.546 599 H ALA 95 H ALA 95 4.873 18.334 8.435 600 HA ALA 95 HA ALA 95 6.077 20.129 10.203 601 HB1 ALA 95 HB1 ALA 95 3.738 19.184 10.318 602 HB2 ALA 95 HB2 ALA 95 4.449 17.749 11.056 603 HB3 ALA 95 HB3 ALA 95 4.595 19.315 11.855 604 H LEU 96 H LEU 96 6.960 19.516 12.394 605 HA LEU 96 HA LEU 96 8.893 17.312 12.100 606 HB2 LEU 96 HB2 LEU 96 10.507 18.557 13.249 607 HB3 LEU 96 HB3 LEU 96 9.779 19.683 12.105 608 HG LEU 96 HG LEU 96 8.375 19.895 14.570 609 HD11 LEU 96 HD11 LEU 96 10.128 19.074 15.855 610 HD12 LEU 96 HD12 LEU 96 10.402 20.816 15.863 611 HD13 LEU 96 HD13 LEU 96 11.358 19.779 14.806 612 HD21 LEU 96 HD21 LEU 96 9.172 22.208 14.444 613 HD22 LEU 96 HD22 LEU 96 8.568 21.640 12.887 614 HD23 LEU 96 HD23 LEU 96 10.306 21.746 13.175 615 H GLY 97 H GLY 97 6.173 17.239 13.248 616 HA2 GLY 97 HA2 GLY 97 6.652 16.923 16.109 617 HA3 GLY 97 HA3 GLY 97 5.101 16.798 15.293 618 H TYR 98 H TYR 98 5.548 14.910 13.389 619 HA TYR 98 HA TYR 98 6.297 12.543 14.978 620 HB2 TYR 98 HB2 TYR 98 3.802 13.025 14.198 621 HB3 TYR 98 HB3 TYR 98 4.384 12.303 12.702 622 HD1 TYR 98 HD2 TYR 98 3.674 11.701 16.254 623 HD2 TYR 98 HD1 TYR 98 4.926 9.954 12.582 624 HE1 TYR 98 HE2 TYR 98 3.323 9.461 17.207 625 HE2 TYR 98 HE1 TYR 98 4.577 7.709 13.524 626 HH TYR 98 HH TYR 98 3.883 6.534 15.274 627 H ASP 99 H ASP 99 7.977 14.167 13.192 628 HA ASP 99 HA ASP 99 8.372 12.568 10.818 629 HB2 ASP 99 HB2 ASP 99 10.145 14.126 10.281 630 HB3 ASP 99 HB3 ASP 99 8.733 15.028 10.825 631 H GLY 100 H GLY 100 10.648 11.808 10.307 632 HA2 GLY 100 HA2 GLY 100 11.573 10.211 12.581 633 HA3 GLY 100 HA3 GLY 100 11.938 9.911 10.889 634 H ASN 101 H ASN 101 12.836 12.467 10.159 635 HA ASN 101 HA ASN 101 15.529 12.325 11.035 636 HB2 ASN 101 HB2 ASN 101 14.059 13.677 8.995 637 HB3 ASN 101 HB3 ASN 101 15.020 14.872 9.862 638 HD21 ASN 101 HD21 ASN 101 15.105 11.968 7.939 639 HD22 ASN 101 HD22 ASN 101 16.778 12.058 7.518 Start of MODEL 18 1 H MET 21 H MET 21 9.768 2.150 3.547 2 HA MET 21 HA MET 21 11.462 0.358 2.873 3 HB2 MET 21 HB2 MET 21 9.032 -0.501 1.611 4 HB3 MET 21 HB3 MET 21 10.253 -0.214 0.379 5 HG2 MET 21 HG2 MET 21 11.391 -1.649 2.588 6 HG3 MET 21 HG3 MET 21 9.947 -2.470 1.998 7 HE1 MET 21 HE1 MET 21 10.624 -3.921 -1.174 8 HE2 MET 21 HE2 MET 21 9.447 -3.100 -0.149 9 HE3 MET 21 HE3 MET 21 10.196 -2.240 -1.495 10 H ILE 22 H ILE 22 9.431 2.729 1.299 11 HA ILE 22 HA ILE 22 11.833 3.889 0.072 12 HB ILE 22 HB ILE 22 10.548 4.481 -1.946 13 HG12 ILE 22 HG12 ILE 22 8.452 2.590 -1.861 14 HG13 ILE 22 HG13 ILE 22 8.363 3.495 -0.353 15 HG21 ILE 22 HG21 ILE 22 11.957 2.401 -1.747 16 HG22 ILE 22 HG22 ILE 22 10.457 1.507 -1.505 17 HG23 ILE 22 HG23 ILE 22 10.733 2.375 -3.015 18 HD11 ILE 22 HD11 ILE 22 7.627 5.336 -1.374 19 HD12 ILE 22 HD12 ILE 22 8.756 5.162 -2.718 20 HD13 ILE 22 HD13 ILE 22 7.247 4.252 -2.712 21 H SER 23 H SER 23 11.793 6.146 -0.199 22 HA SER 23 HA SER 23 9.500 7.681 0.626 23 HB2 SER 23 HB2 SER 23 10.960 8.867 2.425 24 HB3 SER 23 HB3 SER 23 10.186 7.338 2.835 25 HG SER 23 HG SER 23 12.160 6.296 2.410 26 H GLY 24 H GLY 24 11.012 7.534 -1.755 27 HA2 GLY 24 HA2 GLY 24 11.920 10.319 -1.894 28 HA3 GLY 24 HA3 GLY 24 13.018 9.062 -2.445 29 H LEU 25 H LEU 25 9.618 10.044 -2.893 30 HA LEU 25 HA LEU 25 9.916 9.384 -5.748 31 HB2 LEU 25 HB2 LEU 25 8.157 8.262 -4.115 32 HB3 LEU 25 HB3 LEU 25 7.238 9.715 -4.505 33 HG LEU 25 HG LEU 25 8.348 8.064 -6.730 34 HD11 LEU 25 HD11 LEU 25 6.609 6.506 -6.681 35 HD12 LEU 25 HD12 LEU 25 5.696 7.421 -5.482 36 HD13 LEU 25 HD13 LEU 25 7.173 6.578 -5.011 37 HD21 LEU 25 HD21 LEU 25 7.056 9.385 -7.962 38 HD22 LEU 25 HD22 LEU 25 6.737 10.333 -6.509 39 HD23 LEU 25 HD23 LEU 25 5.643 9.027 -6.968 40 H ARG 26 H ARG 26 9.103 11.833 -3.441 41 HA ARG 26 HA ARG 26 8.616 14.048 -3.628 42 HB2 ARG 26 HB2 ARG 26 10.153 13.471 -6.127 43 HB3 ARG 26 HB3 ARG 26 9.393 15.047 -5.941 44 HG2 ARG 26 HG2 ARG 26 11.217 15.676 -4.853 45 HG3 ARG 26 HG3 ARG 26 10.690 14.635 -3.529 46 HD2 ARG 26 HD2 ARG 26 11.900 12.751 -4.648 47 HD3 ARG 26 HD3 ARG 26 12.549 13.925 -5.791 48 HE ARG 26 HE ARG 26 13.990 14.674 -4.166 49 HH11 ARG 26 HH11 ARG 26 11.571 12.623 -2.730 50 HH12 ARG 26 HH12 ARG 26 12.367 12.540 -1.193 51 HH21 ARG 26 HH21 ARG 26 15.046 14.573 -2.147 52 HH22 ARG 26 HH22 ARG 26 14.343 13.652 -0.863 53 H THR 27 H THR 27 6.384 13.911 -3.557 54 HA THR 27 HA THR 27 4.836 13.419 -5.935 55 HB THR 27 HB THR 27 2.876 13.921 -4.511 56 HG1 THR 27 HG1 THR 27 3.367 14.251 -2.222 57 HG21 THR 27 HG21 THR 27 3.036 11.990 -3.119 58 HG22 THR 27 HG22 THR 27 4.796 12.097 -3.069 59 HG23 THR 27 HG23 THR 27 3.980 11.658 -4.569 60 H LEU 28 H LEU 28 3.317 14.922 -6.851 61 HA LEU 28 HA LEU 28 4.386 17.638 -6.908 62 HB2 LEU 28 HB2 LEU 28 4.076 16.539 -9.038 63 HB3 LEU 28 HB3 LEU 28 2.383 16.229 -8.664 64 HG LEU 28 HG LEU 28 1.800 18.495 -8.946 65 HD11 LEU 28 HD11 LEU 28 3.929 20.012 -9.629 66 HD12 LEU 28 HD12 LEU 28 4.657 18.950 -8.424 67 HD13 LEU 28 HD13 LEU 28 3.251 19.928 -8.002 68 HD21 LEU 28 HD21 LEU 28 1.929 17.614 -11.078 69 HD22 LEU 28 HD22 LEU 28 3.684 17.446 -11.017 70 HD23 LEU 28 HD23 LEU 28 2.956 19.042 -11.206 71 H GLU 29 H GLU 29 2.451 16.274 -4.870 72 HA GLU 29 HA GLU 29 0.739 16.932 -3.524 73 HB2 GLU 29 HB2 GLU 29 1.777 19.500 -4.622 74 HB3 GLU 29 HB3 GLU 29 0.244 19.536 -3.764 75 HG2 GLU 29 HG2 GLU 29 1.887 20.036 -2.168 76 HG3 GLU 29 HG3 GLU 29 1.416 18.364 -1.864 77 H GLN 30 H GLN 30 -0.409 15.591 -5.289 78 HA GLN 30 HA GLN 30 -2.025 16.859 -7.215 79 HB2 GLN 30 HB2 GLN 30 -2.534 14.225 -5.822 80 HB3 GLN 30 HB3 GLN 30 -3.223 14.745 -7.354 81 HG2 GLN 30 HG2 GLN 30 -1.459 14.027 -8.484 82 HG3 GLN 30 HG3 GLN 30 -0.344 14.873 -7.413 83 HE21 GLN 30 HE21 GLN 30 -0.653 13.676 -5.048 84 HE22 GLN 30 HE22 GLN 30 -0.245 11.999 -5.140 85 H SER 31 H SER 31 -3.704 18.153 -6.934 86 HA SER 31 HA SER 31 -4.828 18.842 -4.502 87 HB2 SER 31 HB2 SER 31 -6.674 19.025 -6.793 88 HB3 SER 31 HB3 SER 31 -6.089 20.289 -5.711 89 HG SER 31 HG SER 31 -5.359 20.416 -7.952 90 H VAL 32 H VAL 32 -7.180 18.585 -3.899 91 HA VAL 32 HA VAL 32 -7.746 15.929 -3.291 92 HB VAL 32 HB VAL 32 -9.667 18.257 -3.437 93 HG11 VAL 32 HG11 VAL 32 -9.939 15.546 -2.151 94 HG12 VAL 32 HG12 VAL 32 -11.011 16.910 -1.826 95 HG13 VAL 32 HG13 VAL 32 -10.925 16.218 -3.447 96 HG21 VAL 32 HG21 VAL 32 -8.148 17.110 -1.096 97 HG22 VAL 32 HG22 VAL 32 -7.761 18.615 -1.930 98 HG23 VAL 32 HG23 VAL 32 -9.278 18.463 -1.045 99 H GLY 33 H GLY 33 -9.295 18.004 -5.747 100 HA2 GLY 33 HA2 GLY 33 -11.041 16.113 -6.804 101 HA3 GLY 33 HA3 GLY 33 -10.382 17.474 -7.698 102 H GLU 34 H GLU 34 -7.900 17.050 -8.216 103 HA GLU 34 HA GLU 34 -7.810 15.088 -10.174 104 HB2 GLU 34 HB2 GLU 34 -6.242 16.870 -10.286 105 HB3 GLU 34 HB3 GLU 34 -5.611 16.512 -8.684 106 HG2 GLU 34 HG2 GLU 34 -4.047 15.820 -10.390 107 HG3 GLU 34 HG3 GLU 34 -4.671 14.419 -9.520 108 H TRP 35 H TRP 35 -6.426 14.992 -6.897 109 HA TRP 35 HA TRP 35 -5.254 12.495 -6.970 110 HB2 TRP 35 HB2 TRP 35 -4.920 13.914 -5.067 111 HB3 TRP 35 HB3 TRP 35 -6.641 13.914 -4.692 112 HD1 TRP 35 HD1 TRP 35 -4.564 10.748 -5.437 113 HE1 TRP 35 HE1 TRP 35 -4.629 9.237 -3.354 114 HE3 TRP 35 HE3 TRP 35 -7.058 13.871 -2.247 115 HZ2 TRP 35 HZ2 TRP 35 -5.609 9.354 -0.709 116 HZ3 TRP 35 HZ3 TRP 35 -7.519 13.094 0.041 117 HH2 TRP 35 HH2 TRP 35 -6.809 10.882 0.793 118 H LEU 36 H LEU 36 -8.573 13.250 -5.901 119 HA LEU 36 HA LEU 36 -9.347 10.554 -5.563 120 HB2 LEU 36 HB2 LEU 36 -11.053 12.983 -6.091 121 HB3 LEU 36 HB3 LEU 36 -11.638 11.428 -5.504 122 HG LEU 36 HG LEU 36 -9.597 12.966 -3.942 123 HD11 LEU 36 HD11 LEU 36 -11.427 14.528 -4.413 124 HD12 LEU 36 HD12 LEU 36 -11.379 14.064 -2.713 125 HD13 LEU 36 HD13 LEU 36 -12.584 13.353 -3.787 126 HD21 LEU 36 HD21 LEU 36 -11.059 10.540 -3.634 127 HD22 LEU 36 HD22 LEU 36 -11.558 11.667 -2.372 128 HD23 LEU 36 HD23 LEU 36 -9.854 11.251 -2.561 129 H GLU 37 H GLU 37 -9.285 12.687 -8.319 130 HA GLU 37 HA GLU 37 -11.046 11.241 -9.990 131 HB2 GLU 37 HB2 GLU 37 -9.330 13.526 -10.210 132 HB3 GLU 37 HB3 GLU 37 -9.064 12.474 -11.594 133 HG2 GLU 37 HG2 GLU 37 -11.874 12.737 -11.079 134 HG3 GLU 37 HG3 GLU 37 -11.124 14.326 -11.217 135 H SER 38 H SER 38 -7.694 10.832 -9.147 136 HA SER 38 HA SER 38 -7.008 9.101 -11.304 137 HB2 SER 38 HB2 SER 38 -5.527 10.448 -9.523 138 HB3 SER 38 HB3 SER 38 -5.554 8.879 -8.719 139 HG SER 38 HG SER 38 -4.040 9.625 -10.741 140 H ILE 39 H ILE 39 -8.662 8.681 -8.317 141 HA ILE 39 HA ILE 39 -8.418 5.758 -8.516 142 HB ILE 39 HB ILE 39 -9.246 5.646 -6.234 143 HG12 ILE 39 HG12 ILE 39 -9.268 8.670 -6.279 144 HG13 ILE 39 HG13 ILE 39 -10.709 7.665 -6.385 145 HG21 ILE 39 HG21 ILE 39 -7.272 6.216 -5.221 146 HG22 ILE 39 HG22 ILE 39 -6.781 6.253 -6.913 147 HG23 ILE 39 HG23 ILE 39 -7.154 7.757 -6.070 148 HD11 ILE 39 HD11 ILE 39 -10.375 6.833 -4.180 149 HD12 ILE 39 HD12 ILE 39 -8.790 7.598 -4.074 150 HD13 ILE 39 HD13 ILE 39 -10.247 8.591 -4.126 151 H GLY 40 H GLY 40 -10.530 8.344 -9.121 152 HA2 GLY 40 HA2 GLY 40 -12.575 8.146 -10.263 153 HA3 GLY 40 HA3 GLY 40 -12.667 6.464 -9.761 154 H LEU 41 H LEU 41 -11.913 8.827 -7.366 155 HA LEU 41 HA LEU 41 -14.641 8.556 -6.287 156 HB2 LEU 41 HB2 LEU 41 -12.440 7.667 -5.095 157 HB3 LEU 41 HB3 LEU 41 -12.374 9.338 -4.539 158 HG LEU 41 HG LEU 41 -14.908 8.765 -3.883 159 HD11 LEU 41 HD11 LEU 41 -15.406 6.607 -3.867 160 HD12 LEU 41 HD12 LEU 41 -14.008 6.268 -2.847 161 HD13 LEU 41 HD13 LEU 41 -13.843 6.253 -4.603 162 HD21 LEU 41 HD21 LEU 41 -12.507 8.012 -2.220 163 HD22 LEU 41 HD22 LEU 41 -14.117 8.416 -1.622 164 HD23 LEU 41 HD23 LEU 41 -13.137 9.648 -2.417 165 H GLN 42 H GLN 42 -13.170 10.636 -8.072 166 HA GLN 42 HA GLN 42 -12.945 13.051 -6.707 167 HB2 GLN 42 HB2 GLN 42 -12.381 12.419 -9.173 168 HB3 GLN 42 HB3 GLN 42 -14.026 12.943 -9.502 169 HG2 GLN 42 HG2 GLN 42 -12.713 14.904 -7.894 170 HG3 GLN 42 HG3 GLN 42 -11.709 14.518 -9.291 171 HE21 GLN 42 HE21 GLN 42 -13.456 14.053 -11.255 172 HE22 GLN 42 HE22 GLN 42 -14.419 15.450 -11.576 173 H GLN 43 H GLN 43 -15.765 11.332 -7.814 174 HA GLN 43 HA GLN 43 -17.622 13.446 -7.737 175 HB2 GLN 43 HB2 GLN 43 -19.277 11.826 -7.968 176 HB3 GLN 43 HB3 GLN 43 -17.872 11.050 -8.685 177 HG2 GLN 43 HG2 GLN 43 -18.780 10.613 -5.851 178 HG3 GLN 43 HG3 GLN 43 -19.220 9.579 -7.209 179 HE21 GLN 43 HE21 GLN 43 -17.817 8.778 -4.873 180 HE22 GLN 43 HE22 GLN 43 -16.253 8.233 -5.366 181 H TYR 44 H TYR 44 -16.320 11.353 -5.249 182 HA TYR 44 HA TYR 44 -18.180 12.340 -3.251 183 HB2 TYR 44 HB2 TYR 44 -16.467 10.055 -3.526 184 HB3 TYR 44 HB3 TYR 44 -16.080 10.888 -2.025 185 HD1 TYR 44 HD1 TYR 44 -18.632 11.876 -1.087 186 HD2 TYR 44 HD2 TYR 44 -17.716 8.182 -2.990 187 HE1 TYR 44 HE1 TYR 44 -20.583 10.841 -0.005 188 HE2 TYR 44 HE2 TYR 44 -19.666 7.138 -1.914 189 HH TYR 44 HH TYR 44 -21.681 7.653 -0.857 190 H GLU 45 H GLU 45 -15.726 13.763 -4.696 191 HA GLU 45 HA GLU 45 -13.917 14.566 -2.735 192 HB2 GLU 45 HB2 GLU 45 -13.438 15.049 -5.022 193 HB3 GLU 45 HB3 GLU 45 -14.922 15.973 -5.207 194 HG2 GLU 45 HG2 GLU 45 -13.292 17.067 -3.102 195 HG3 GLU 45 HG3 GLU 45 -12.385 16.947 -4.608 196 H SER 46 H SER 46 -17.049 15.937 -3.646 197 HA SER 46 HA SER 46 -17.050 18.265 -2.183 198 HB2 SER 46 HB2 SER 46 -19.032 16.561 -3.395 199 HB3 SER 46 HB3 SER 46 -19.630 17.172 -1.852 200 HG SER 46 HG SER 46 -19.126 19.282 -2.589 201 H LYS 47 H LYS 47 -17.705 14.982 -1.062 202 HA LYS 47 HA LYS 47 -18.469 15.701 1.572 203 HB2 LYS 47 HB2 LYS 47 -17.793 13.208 0.133 204 HB3 LYS 47 HB3 LYS 47 -17.544 13.172 1.873 205 HG2 LYS 47 HG2 LYS 47 -19.740 12.341 1.336 206 HG3 LYS 47 HG3 LYS 47 -19.876 13.871 2.204 207 HD2 LYS 47 HD2 LYS 47 -20.105 15.004 -0.024 208 HD3 LYS 47 HD3 LYS 47 -20.204 13.401 -0.755 209 HE2 LYS 47 HE2 LYS 47 -22.101 13.004 0.962 210 HE3 LYS 47 HE3 LYS 47 -22.129 14.762 1.096 211 HZ1 LYS 47 HZ1 LYS 47 -23.429 13.258 -0.781 212 HZ2 LYS 47 HZ2 LYS 47 -22.110 13.898 -1.625 213 HZ3 LYS 47 HZ3 LYS 47 -23.190 14.932 -0.833 214 H LEU 48 H LEU 48 -15.387 14.987 0.050 215 HA LEU 48 HA LEU 48 -13.951 15.004 2.559 216 HB2 LEU 48 HB2 LEU 48 -13.422 13.719 0.340 217 HB3 LEU 48 HB3 LEU 48 -12.618 15.223 -0.102 218 HG LEU 48 HG LEU 48 -11.905 14.011 2.512 219 HD11 LEU 48 HD11 LEU 48 -11.111 12.861 -0.153 220 HD12 LEU 48 HD12 LEU 48 -11.883 12.032 1.197 221 HD13 LEU 48 HD13 LEU 48 -10.214 12.582 1.339 222 HD21 LEU 48 HD21 LEU 48 -9.610 14.713 1.382 223 HD22 LEU 48 HD22 LEU 48 -10.657 15.884 2.184 224 HD23 LEU 48 HD23 LEU 48 -10.686 15.734 0.426 225 H LEU 49 H LEU 49 -15.245 17.356 0.628 226 HA LEU 49 HA LEU 49 -13.134 19.304 1.249 227 HB2 LEU 49 HB2 LEU 49 -13.707 19.254 -1.077 228 HB3 LEU 49 HB3 LEU 49 -15.424 19.386 -0.705 229 HG LEU 49 HG LEU 49 -15.077 21.675 0.089 230 HD11 LEU 49 HD11 LEU 49 -12.888 22.767 -0.363 231 HD12 LEU 49 HD12 LEU 49 -12.210 21.173 -0.690 232 HD13 LEU 49 HD13 LEU 49 -12.833 21.553 0.916 233 HD21 LEU 49 HD21 LEU 49 -15.711 21.506 -2.179 234 HD22 LEU 49 HD22 LEU 49 -14.094 21.002 -2.674 235 HD23 LEU 49 HD23 LEU 49 -14.377 22.659 -2.135 236 H LEU 50 H LEU 50 -16.603 18.703 1.550 237 HA LEU 50 HA LEU 50 -17.236 21.119 2.875 238 HB2 LEU 50 HB2 LEU 50 -18.619 18.878 1.938 239 HB3 LEU 50 HB3 LEU 50 -18.932 18.928 3.672 240 HG LEU 50 HG LEU 50 -19.559 21.064 1.640 241 HD11 LEU 50 HD11 LEU 50 -21.588 19.956 3.469 242 HD12 LEU 50 HD12 LEU 50 -20.995 18.871 2.213 243 HD13 LEU 50 HD13 LEU 50 -21.715 20.419 1.772 244 HD21 LEU 50 HD21 LEU 50 -19.688 21.119 4.646 245 HD22 LEU 50 HD22 LEU 50 -20.598 22.227 3.619 246 HD23 LEU 50 HD23 LEU 50 -18.833 22.229 3.573 247 H ASN 51 H ASN 51 -15.702 18.237 3.914 248 HA ASN 51 HA ASN 51 -16.233 18.783 6.735 249 HB2 ASN 51 HB2 ASN 51 -15.230 16.453 5.186 250 HB3 ASN 51 HB3 ASN 51 -14.619 16.642 6.827 251 HD21 ASN 51 HD21 ASN 51 -17.670 16.743 5.026 252 HD22 ASN 51 HD22 ASN 51 -18.607 15.938 6.234 253 H GLY 52 H GLY 52 -14.468 20.410 4.869 254 HA2 GLY 52 HA2 GLY 52 -12.442 21.494 4.940 255 HA3 GLY 52 HA3 GLY 52 -12.580 21.284 6.679 256 H PHE 53 H PHE 53 -12.400 18.544 4.537 257 HA PHE 53 HA PHE 53 -9.786 17.886 5.699 258 HB2 PHE 53 HB2 PHE 53 -12.072 16.371 5.494 259 HB3 PHE 53 HB3 PHE 53 -11.125 15.805 4.122 260 HD1 PHE 53 HD1 PHE 53 -8.386 16.132 5.295 261 HD2 PHE 53 HD2 PHE 53 -11.974 14.516 6.916 262 HE1 PHE 53 HE1 PHE 53 -7.060 14.706 6.799 263 HE2 PHE 53 HE2 PHE 53 -10.654 13.088 8.423 264 HZ PHE 53 HZ PHE 53 -8.194 13.182 8.367 265 H ASP 54 H ASP 54 -10.772 19.466 3.119 266 HA ASP 54 HA ASP 54 -9.685 18.166 0.890 267 HB2 ASP 54 HB2 ASP 54 -10.002 20.153 -0.259 268 HB3 ASP 54 HB3 ASP 54 -11.132 20.339 1.079 269 H ASP 55 H ASP 55 -8.167 19.667 3.564 270 HA ASP 55 HA ASP 55 -5.781 20.609 2.545 271 HB2 ASP 55 HB2 ASP 55 -6.352 19.185 5.147 272 HB3 ASP 55 HB3 ASP 55 -4.801 19.936 4.781 273 H VAL 56 H VAL 56 -4.698 19.540 0.994 274 HA VAL 56 HA VAL 56 -4.424 16.709 0.907 275 HB VAL 56 HB VAL 56 -2.850 18.831 -0.558 276 HG11 VAL 56 HG11 VAL 56 -2.823 16.626 -2.145 277 HG12 VAL 56 HG12 VAL 56 -1.519 17.089 -1.048 278 HG13 VAL 56 HG13 VAL 56 -2.720 15.901 -0.541 279 HG21 VAL 56 HG21 VAL 56 -4.665 19.136 -1.801 280 HG22 VAL 56 HG22 VAL 56 -4.652 17.427 -2.235 281 HG23 VAL 56 HG23 VAL 56 -5.549 17.970 -0.817 282 H HIS 57 H HIS 57 -2.707 19.213 2.511 283 HA HIS 57 HA HIS 57 -0.322 17.579 2.890 284 HB2 HIS 57 HB2 HIS 57 -0.994 20.424 3.156 285 HB3 HIS 57 HB3 HIS 57 0.029 19.811 4.451 286 HD1 HIS 57 HD1 HIS 57 2.113 21.068 3.670 287 HD2 HIS 57 HD2 HIS 57 0.522 18.537 0.785 288 HE1 HIS 57 HE1 HIS 57 3.851 20.938 1.858 289 H PHE 58 H PHE 58 -3.134 17.157 4.090 290 HA PHE 58 HA PHE 58 -2.201 16.792 6.859 291 HB2 PHE 58 HB2 PHE 58 -4.360 18.384 5.988 292 HB3 PHE 58 HB3 PHE 58 -5.072 16.950 6.720 293 HD1 PHE 58 HD2 PHE 58 -2.064 19.002 7.531 294 HD2 PHE 58 HD1 PHE 58 -5.792 17.423 8.844 295 HE1 PHE 58 HE2 PHE 58 -1.677 19.956 9.765 296 HE2 PHE 58 HE1 PHE 58 -5.412 18.376 11.080 297 HZ PHE 58 HZ PHE 58 -3.351 19.643 11.544 298 H LEU 59 H LEU 59 -3.030 15.268 4.086 299 HA LEU 59 HA LEU 59 -4.749 13.202 4.919 300 HB2 LEU 59 HB2 LEU 59 -2.882 13.644 2.661 301 HB3 LEU 59 HB3 LEU 59 -3.379 11.984 2.981 302 HG LEU 59 HG LEU 59 -4.764 12.975 1.257 303 HD11 LEU 59 HD11 LEU 59 -6.406 12.788 3.769 304 HD12 LEU 59 HD12 LEU 59 -5.707 11.380 2.971 305 HD13 LEU 59 HD13 LEU 59 -6.882 12.382 2.119 306 HD21 LEU 59 HD21 LEU 59 -4.437 15.332 2.403 307 HD22 LEU 59 HD22 LEU 59 -5.968 14.907 3.170 308 HD23 LEU 59 HD23 LEU 59 -5.852 14.977 1.411 309 H GLY 60 H GLY 60 -1.303 13.670 5.240 310 HA2 GLY 60 HA2 GLY 60 -0.953 10.932 6.228 311 HA3 GLY 60 HA3 GLY 60 0.334 12.072 5.863 312 H SER 61 H SER 61 -1.428 14.102 7.412 313 HA SER 61 HA SER 61 -0.172 13.546 9.979 314 HB2 SER 61 HB2 SER 61 -0.287 15.841 8.642 315 HB3 SER 61 HB3 SER 61 -1.807 16.001 9.523 316 HG SER 61 HG SER 61 -0.064 16.893 10.692 317 H ASN 62 H ASN 62 -3.404 14.537 8.839 318 HA ASN 62 HA ASN 62 -4.788 14.257 11.209 319 HB2 ASN 62 HB2 ASN 62 -5.471 14.866 8.632 320 HB3 ASN 62 HB3 ASN 62 -6.263 13.309 8.845 321 HD21 ASN 62 HD21 ASN 62 -7.822 13.082 10.499 322 HD22 ASN 62 HD22 ASN 62 -8.650 14.460 11.132 323 H VAL 63 H VAL 63 -6.166 12.586 12.026 324 HA VAL 63 HA VAL 63 -4.981 10.119 12.358 325 HB VAL 63 HB VAL 63 -6.697 10.819 13.876 326 HG11 VAL 63 HG11 VAL 63 -8.718 10.516 11.664 327 HG12 VAL 63 HG12 VAL 63 -8.985 11.135 13.295 328 HG13 VAL 63 HG13 VAL 63 -8.020 12.062 12.145 329 HG21 VAL 63 HG21 VAL 63 -7.629 8.401 12.332 330 HG22 VAL 63 HG22 VAL 63 -6.414 8.408 13.610 331 HG23 VAL 63 HG23 VAL 63 -8.090 8.810 13.985 332 H MET 64 H MET 64 -7.523 11.029 10.054 333 HA MET 64 HA MET 64 -8.412 9.943 8.255 334 HB2 MET 64 HB2 MET 64 -5.819 10.349 7.777 335 HB3 MET 64 HB3 MET 64 -5.813 8.591 7.730 336 HG2 MET 64 HG2 MET 64 -6.122 9.244 5.516 337 HG3 MET 64 HG3 MET 64 -7.729 8.784 6.076 338 HE1 MET 64 HE1 MET 64 -9.850 11.681 6.060 339 HE2 MET 64 HE2 MET 64 -9.642 10.618 4.669 340 HE3 MET 64 HE3 MET 64 -9.547 9.960 6.303 341 H GLU 65 H GLU 65 -9.164 8.604 10.415 342 HA GLU 65 HA GLU 65 -8.458 5.790 10.089 343 HB2 GLU 65 HB2 GLU 65 -9.358 7.435 12.273 344 HB3 GLU 65 HB3 GLU 65 -10.442 6.066 12.072 345 HG2 GLU 65 HG2 GLU 65 -7.471 5.700 12.174 346 HG3 GLU 65 HG3 GLU 65 -8.440 5.810 13.642 347 H GLU 66 H GLU 66 -10.576 4.357 10.625 348 HA GLU 66 HA GLU 66 -12.098 4.370 8.276 349 HB2 GLU 66 HB2 GLU 66 -13.544 2.712 9.457 350 HB3 GLU 66 HB3 GLU 66 -11.828 2.332 9.517 351 HG2 GLU 66 HG2 GLU 66 -11.766 3.368 11.792 352 HG3 GLU 66 HG3 GLU 66 -13.523 3.485 11.715 353 H GLN 67 H GLN 67 -12.912 5.479 11.548 354 HA GLN 67 HA GLN 67 -15.563 6.239 10.979 355 HB2 GLN 67 HB2 GLN 67 -14.294 5.968 13.257 356 HB3 GLN 67 HB3 GLN 67 -13.930 7.675 13.034 357 HG2 GLN 67 HG2 GLN 67 -16.034 8.321 13.479 358 HG3 GLN 67 HG3 GLN 67 -16.747 6.929 12.665 359 HE21 GLN 67 HE21 GLN 67 -16.182 4.795 13.871 360 HE22 GLN 67 HE22 GLN 67 -16.476 4.827 15.573 361 H ASP 68 H ASP 68 -12.533 8.082 10.980 362 HA ASP 68 HA ASP 68 -13.503 10.616 10.494 363 HB2 ASP 68 HB2 ASP 68 -10.978 9.280 10.299 364 HB3 ASP 68 HB3 ASP 68 -11.187 10.308 8.883 365 H LEU 69 H LEU 69 -12.982 7.982 8.208 366 HA LEU 69 HA LEU 69 -13.599 9.542 5.893 367 HB2 LEU 69 HB2 LEU 69 -13.757 6.548 6.127 368 HB3 LEU 69 HB3 LEU 69 -13.481 7.509 4.676 369 HG LEU 69 HG LEU 69 -11.447 7.819 6.778 370 HD11 LEU 69 HD11 LEU 69 -11.104 5.352 5.209 371 HD12 LEU 69 HD12 LEU 69 -12.286 5.276 6.516 372 HD13 LEU 69 HD13 LEU 69 -10.617 5.729 6.861 373 HD21 LEU 69 HD21 LEU 69 -10.592 6.983 4.144 374 HD22 LEU 69 HD22 LEU 69 -10.240 8.471 5.026 375 HD23 LEU 69 HD23 LEU 69 -11.714 8.341 4.065 376 H ARG 70 H ARG 70 -15.432 7.636 8.165 377 HA ARG 70 HA ARG 70 -17.797 7.468 6.559 378 HB2 ARG 70 HB2 ARG 70 -17.214 5.863 8.390 379 HB3 ARG 70 HB3 ARG 70 -17.543 7.142 9.551 380 HG2 ARG 70 HG2 ARG 70 -19.754 6.862 9.410 381 HG3 ARG 70 HG3 ARG 70 -19.716 6.690 7.654 382 HD2 ARG 70 HD2 ARG 70 -18.583 4.371 8.314 383 HD3 ARG 70 HD3 ARG 70 -19.532 4.629 9.777 384 HE ARG 70 HE ARG 70 -20.515 3.837 7.237 385 HH11 ARG 70 HH11 ARG 70 -21.306 5.773 10.022 386 HH12 ARG 70 HH12 ARG 70 -23.018 5.624 9.800 387 HH21 ARG 70 HH21 ARG 70 -22.767 3.635 6.935 388 HH22 ARG 70 HH22 ARG 70 -23.848 4.408 8.045 389 H ASP 71 H ASP 71 -16.634 9.595 9.119 390 HA ASP 71 HA ASP 71 -19.015 11.031 9.538 391 HB2 ASP 71 HB2 ASP 71 -17.118 11.136 11.088 392 HB3 ASP 71 HB3 ASP 71 -16.150 11.951 9.862 393 H ILE 72 H ILE 72 -16.398 11.432 7.217 394 HA ILE 72 HA ILE 72 -17.376 13.927 6.197 395 HB ILE 72 HB ILE 72 -15.722 13.618 4.402 396 HG12 ILE 72 HG12 ILE 72 -14.870 11.067 5.752 397 HG13 ILE 72 HG13 ILE 72 -16.046 11.055 4.444 398 HG21 ILE 72 HG21 ILE 72 -13.965 14.191 5.721 399 HG22 ILE 72 HG22 ILE 72 -15.240 14.271 6.937 400 HG23 ILE 72 HG23 ILE 72 -14.213 12.840 6.828 401 HD11 ILE 72 HD11 ILE 72 -13.382 10.819 4.109 402 HD12 ILE 72 HD12 ILE 72 -14.490 11.426 2.878 403 HD13 ILE 72 HD13 ILE 72 -13.590 12.556 3.889 404 H GLY 73 H GLY 73 -18.081 10.608 5.639 405 HA2 GLY 73 HA2 GLY 73 -20.350 10.530 4.424 406 HA3 GLY 73 HA3 GLY 73 -19.437 11.252 3.107 407 H ILE 74 H ILE 74 -17.042 9.788 3.414 408 HA ILE 74 HA ILE 74 -17.611 7.513 1.883 409 HB ILE 74 HB ILE 74 -15.128 8.010 3.528 410 HG12 ILE 74 HG12 ILE 74 -15.660 8.737 0.641 411 HG13 ILE 74 HG13 ILE 74 -15.742 9.880 1.978 412 HG21 ILE 74 HG21 ILE 74 -14.432 6.052 2.751 413 HG22 ILE 74 HG22 ILE 74 -15.934 5.844 1.852 414 HG23 ILE 74 HG23 ILE 74 -14.570 6.677 1.107 415 HD11 ILE 74 HD11 ILE 74 -13.392 9.539 2.443 416 HD12 ILE 74 HD12 ILE 74 -13.296 8.334 1.157 417 HD13 ILE 74 HD13 ILE 74 -13.629 10.020 0.764 418 H SER 75 H SER 75 -19.032 6.086 2.783 419 HA SER 75 HA SER 75 -18.230 4.837 5.329 420 HB2 SER 75 HB2 SER 75 -20.736 4.055 5.241 421 HB3 SER 75 HB3 SER 75 -20.343 5.687 5.782 422 HG SER 75 HG SER 75 -21.385 4.844 3.301 423 H ASP 76 H ASP 76 -17.949 4.351 2.165 424 HA ASP 76 HA ASP 76 -18.786 1.566 2.075 425 HB2 ASP 76 HB2 ASP 76 -18.063 3.623 0.123 426 HB3 ASP 76 HB3 ASP 76 -17.375 2.045 -0.248 427 HA PRO 77 HA PRO 77 -14.910 -0.194 3.148 428 HB2 PRO 77 HB2 PRO 77 -14.970 -2.476 1.678 429 HB3 PRO 77 HB3 PRO 77 -15.972 -2.232 3.114 430 HG2 PRO 77 HG2 PRO 77 -16.702 -1.950 0.225 431 HG3 PRO 77 HG3 PRO 77 -17.622 -2.698 1.543 432 HD2 PRO 77 HD2 PRO 77 -18.147 -0.201 0.635 433 HD3 PRO 77 HD3 PRO 77 -18.385 -0.670 2.331 434 H GLN 78 H GLN 78 -15.623 -0.351 -0.342 435 HA GLN 78 HA GLN 78 -12.863 -0.462 -1.082 436 HB2 GLN 78 HB2 GLN 78 -13.744 -0.099 -3.394 437 HB3 GLN 78 HB3 GLN 78 -14.470 -1.462 -2.553 438 HG2 GLN 78 HG2 GLN 78 -16.038 0.847 -2.029 439 HG3 GLN 78 HG3 GLN 78 -15.746 0.749 -3.765 440 HE21 GLN 78 HE21 GLN 78 -15.743 -1.859 -4.306 441 HE22 GLN 78 HE22 GLN 78 -17.259 -2.583 -3.905 442 H HIS 79 H HIS 79 -14.810 2.018 0.013 443 HA HIS 79 HA HIS 79 -13.289 4.074 -1.437 444 HB2 HIS 79 HB2 HIS 79 -15.867 4.266 0.132 445 HB3 HIS 79 HB3 HIS 79 -15.034 5.645 -0.581 446 HD1 HIS 79 HD1 HIS 79 -17.570 5.679 -1.748 447 HD2 HIS 79 HD2 HIS 79 -14.822 2.863 -3.080 448 HE1 HIS 79 HE1 HIS 79 -18.398 4.949 -4.007 449 H ARG 80 H ARG 80 -13.646 2.556 1.599 450 HA ARG 80 HA ARG 80 -12.489 4.764 3.094 451 HB2 ARG 80 HB2 ARG 80 -13.894 2.280 3.733 452 HB3 ARG 80 HB3 ARG 80 -12.515 2.582 4.783 453 HG2 ARG 80 HG2 ARG 80 -13.568 4.977 4.954 454 HG3 ARG 80 HG3 ARG 80 -15.036 4.127 4.469 455 HD2 ARG 80 HD2 ARG 80 -13.316 3.615 6.885 456 HD3 ARG 80 HD3 ARG 80 -14.990 4.168 6.849 457 HE ARG 80 HE ARG 80 -14.043 1.457 6.573 458 HH11 ARG 80 HH11 ARG 80 -16.667 3.674 6.008 459 HH12 ARG 80 HH12 ARG 80 -17.873 2.433 5.943 460 HH21 ARG 80 HH21 ARG 80 -15.623 -0.187 6.488 461 HH22 ARG 80 HH22 ARG 80 -17.279 0.238 6.217 462 H ARG 81 H ARG 81 -11.617 1.483 2.079 463 HA ARG 81 HA ARG 81 -9.029 1.547 3.276 464 HB2 ARG 81 HB2 ARG 81 -10.558 -0.291 1.541 465 HB3 ARG 81 HB3 ARG 81 -8.810 -0.367 1.361 466 HG2 ARG 81 HG2 ARG 81 -9.809 -0.378 4.130 467 HG3 ARG 81 HG3 ARG 81 -10.200 -1.798 3.159 468 HD2 ARG 81 HD2 ARG 81 -7.636 -1.596 2.515 469 HD3 ARG 81 HD3 ARG 81 -7.564 -0.783 4.079 470 HE ARG 81 HE ARG 81 -8.950 -3.094 4.551 471 HH11 ARG 81 HH11 ARG 81 -5.826 -2.297 3.239 472 HH12 ARG 81 HH12 ARG 81 -5.078 -3.762 3.784 473 HH21 ARG 81 HH21 ARG 81 -7.977 -5.027 5.275 474 HH22 ARG 81 HH22 ARG 81 -6.303 -5.314 4.942 475 H LYS 82 H LYS 82 -10.331 2.424 0.150 476 HA LYS 82 HA LYS 82 -7.838 2.627 -1.205 477 HB2 LYS 82 HB2 LYS 82 -10.357 2.562 -2.075 478 HB3 LYS 82 HB3 LYS 82 -10.153 4.308 -2.036 479 HG2 LYS 82 HG2 LYS 82 -8.491 4.278 -3.659 480 HG3 LYS 82 HG3 LYS 82 -8.149 2.563 -3.412 481 HD2 LYS 82 HD2 LYS 82 -10.899 3.165 -4.250 482 HD3 LYS 82 HD3 LYS 82 -9.659 3.566 -5.440 483 HE2 LYS 82 HE2 LYS 82 -9.050 1.020 -4.327 484 HE3 LYS 82 HE3 LYS 82 -10.748 1.024 -4.802 485 HZ1 LYS 82 HZ1 LYS 82 -10.146 0.832 -6.907 486 HZ2 LYS 82 HZ2 LYS 82 -8.521 0.748 -6.445 487 HZ3 LYS 82 HZ3 LYS 82 -9.217 2.243 -6.823 488 H LEU 83 H LEU 83 -9.945 4.996 0.392 489 HA LEU 83 HA LEU 83 -8.307 7.240 -0.169 490 HB2 LEU 83 HB2 LEU 83 -10.809 6.940 0.754 491 HB3 LEU 83 HB3 LEU 83 -9.974 7.261 2.272 492 HG LEU 83 HG LEU 83 -9.059 9.249 0.569 493 HD11 LEU 83 HD11 LEU 83 -10.564 9.240 -1.115 494 HD12 LEU 83 HD12 LEU 83 -11.527 10.145 0.051 495 HD13 LEU 83 HD13 LEU 83 -11.797 8.416 -0.161 496 HD21 LEU 83 HD21 LEU 83 -9.739 9.295 3.010 497 HD22 LEU 83 HD22 LEU 83 -11.393 9.524 2.446 498 HD23 LEU 83 HD23 LEU 83 -10.154 10.717 2.055 499 H LEU 84 H LEU 84 -8.144 4.731 2.180 500 HA LEU 84 HA LEU 84 -6.400 6.221 3.960 501 HB2 LEU 84 HB2 LEU 84 -7.957 3.786 4.084 502 HB3 LEU 84 HB3 LEU 84 -6.317 3.533 4.678 503 HG LEU 84 HG LEU 84 -6.599 5.100 6.420 504 HD11 LEU 84 HD11 LEU 84 -9.064 5.965 4.934 505 HD12 LEU 84 HD12 LEU 84 -7.644 6.922 5.350 506 HD13 LEU 84 HD13 LEU 84 -8.758 6.403 6.615 507 HD21 LEU 84 HD21 LEU 84 -8.609 4.279 7.595 508 HD22 LEU 84 HD22 LEU 84 -7.655 2.978 6.882 509 HD23 LEU 84 HD23 LEU 84 -9.143 3.513 6.099 510 H GLN 85 H GLN 85 -6.177 3.912 1.374 511 HA GLN 85 HA GLN 85 -3.430 3.220 1.908 512 HB2 GLN 85 HB2 GLN 85 -5.321 1.861 0.658 513 HB3 GLN 85 HB3 GLN 85 -4.711 2.730 -0.744 514 HG2 GLN 85 HG2 GLN 85 -3.133 1.200 -0.949 515 HG3 GLN 85 HG3 GLN 85 -2.455 1.740 0.587 516 HE21 GLN 85 HE21 GLN 85 -4.152 -0.725 -1.065 517 HE22 GLN 85 HE22 GLN 85 -4.321 -1.816 0.264 518 H ALA 86 H ALA 86 -5.177 5.311 -0.340 519 HA ALA 86 HA ALA 86 -2.808 6.131 -1.739 520 HB1 ALA 86 HB1 ALA 86 -4.192 7.339 -3.115 521 HB2 ALA 86 HB2 ALA 86 -5.305 6.103 -2.528 522 HB3 ALA 86 HB3 ALA 86 -5.330 7.718 -1.821 523 H ALA 87 H ALA 87 -4.345 7.042 1.171 524 HA ALA 87 HA ALA 87 -3.274 9.736 1.209 525 HB1 ALA 87 HB1 ALA 87 -5.375 9.521 2.256 526 HB2 ALA 87 HB2 ALA 87 -4.854 8.121 3.192 527 HB3 ALA 87 HB3 ALA 87 -4.209 9.719 3.563 528 H ARG 88 H ARG 88 -2.637 6.622 2.759 529 HA ARG 88 HA ARG 88 -0.517 7.644 4.400 530 HB2 ARG 88 HB2 ARG 88 -0.219 5.411 5.145 531 HB3 ARG 88 HB3 ARG 88 -1.951 5.628 4.931 532 HG2 ARG 88 HG2 ARG 88 -1.545 4.612 2.587 533 HG3 ARG 88 HG3 ARG 88 -0.030 4.038 3.287 534 HD2 ARG 88 HD2 ARG 88 -2.700 3.558 4.586 535 HD3 ARG 88 HD3 ARG 88 -2.018 2.457 3.389 536 HE ARG 88 HE ARG 88 -1.201 2.765 6.126 537 HH11 ARG 88 HH11 ARG 88 -0.210 1.770 2.941 538 HH12 ARG 88 HH12 ARG 88 1.037 0.713 3.517 539 HH21 ARG 88 HH21 ARG 88 0.438 1.378 6.898 540 HH22 ARG 88 HH22 ARG 88 1.404 0.490 5.767 541 H SER 89 H SER 89 -0.794 6.457 1.181 542 HA SER 89 HA SER 89 1.910 5.625 0.837 543 HB2 SER 89 HB2 SER 89 -0.353 6.251 -1.040 544 HB3 SER 89 HB3 SER 89 1.271 5.958 -1.663 545 HG SER 89 HG SER 89 0.810 3.926 -1.476 546 H LEU 90 H LEU 90 0.525 8.643 1.231 547 HA LEU 90 HA LEU 90 2.141 10.173 -0.550 548 HB2 LEU 90 HB2 LEU 90 0.297 10.737 1.700 549 HB3 LEU 90 HB3 LEU 90 1.468 11.986 1.286 550 HG LEU 90 HG LEU 90 0.298 11.233 -1.141 551 HD11 LEU 90 HD11 LEU 90 -1.436 10.219 0.537 552 HD12 LEU 90 HD12 LEU 90 -1.977 11.121 -0.878 553 HD13 LEU 90 HD13 LEU 90 -1.945 11.899 0.704 554 HD21 LEU 90 HD21 LEU 90 0.379 13.571 0.650 555 HD22 LEU 90 HD22 LEU 90 -0.935 13.551 -0.527 556 HD23 LEU 90 HD23 LEU 90 0.739 13.442 -1.072 557 HA PRO 91 HA PRO 91 5.917 10.603 1.643 558 HB2 PRO 91 HB2 PRO 91 6.529 13.218 1.254 559 HB3 PRO 91 HB3 PRO 91 6.622 12.009 -0.032 560 HG2 PRO 91 HG2 PRO 91 4.458 13.996 0.547 561 HG3 PRO 91 HG3 PRO 91 5.164 13.531 -1.012 562 HD2 PRO 91 HD2 PRO 91 2.790 12.563 -0.141 563 HD3 PRO 91 HD3 PRO 91 3.893 11.614 -1.159 564 H LYS 92 H LYS 92 7.074 12.338 3.172 565 HA LYS 92 HA LYS 92 5.395 12.498 5.510 566 HB2 LYS 92 HB2 LYS 92 7.398 13.135 6.690 567 HB3 LYS 92 HB3 LYS 92 7.776 11.791 5.620 568 HG2 LYS 92 HG2 LYS 92 8.357 13.912 4.029 569 HG3 LYS 92 HG3 LYS 92 8.780 14.542 5.623 570 HD2 LYS 92 HD2 LYS 92 9.861 12.037 5.703 571 HD3 LYS 92 HD3 LYS 92 10.077 12.469 4.006 572 HE2 LYS 92 HE2 LYS 92 12.020 13.254 5.017 573 HE3 LYS 92 HE3 LYS 92 11.004 14.692 4.910 574 HZ1 LYS 92 HZ1 LYS 92 10.691 14.753 7.147 575 HZ2 LYS 92 HZ2 LYS 92 12.223 14.036 7.125 576 HZ3 LYS 92 HZ3 LYS 92 10.845 13.080 7.347 577 H VAL 93 H VAL 93 5.060 14.424 6.753 578 HA VAL 93 HA VAL 93 5.144 16.893 5.144 579 HB VAL 93 HB VAL 93 2.839 15.999 5.405 580 HG11 VAL 93 HG11 VAL 93 3.513 15.231 7.857 581 HG12 VAL 93 HG12 VAL 93 2.804 16.795 8.263 582 HG13 VAL 93 HG13 VAL 93 1.845 15.585 7.410 583 HG21 VAL 93 HG21 VAL 93 3.456 18.467 5.232 584 HG22 VAL 93 HG22 VAL 93 1.846 18.085 5.842 585 HG23 VAL 93 HG23 VAL 93 3.125 18.554 6.962 586 H LYS 94 H LYS 94 5.581 18.825 6.218 587 HA LYS 94 HA LYS 94 7.129 18.520 8.646 588 HB2 LYS 94 HB2 LYS 94 7.913 19.928 6.749 589 HB3 LYS 94 HB3 LYS 94 6.560 21.016 7.037 590 HG2 LYS 94 HG2 LYS 94 7.460 21.352 9.358 591 HG3 LYS 94 HG3 LYS 94 8.900 20.470 8.843 592 HD2 LYS 94 HD2 LYS 94 9.687 22.215 7.670 593 HD3 LYS 94 HD3 LYS 94 8.095 22.613 7.017 594 HE2 LYS 94 HE2 LYS 94 8.249 23.159 9.852 595 HE3 LYS 94 HE3 LYS 94 9.510 24.012 8.965 596 HZ1 LYS 94 HZ1 LYS 94 8.009 25.283 7.869 597 HZ2 LYS 94 HZ2 LYS 94 7.091 24.993 9.261 598 HZ3 LYS 94 HZ3 LYS 94 6.809 24.089 7.859 599 H ALA 95 H ALA 95 5.037 17.875 9.769 600 HA ALA 95 HA ALA 95 3.616 20.272 10.727 601 HB1 ALA 95 HB1 ALA 95 1.759 18.806 11.310 602 HB2 ALA 95 HB2 ALA 95 2.165 18.658 9.599 603 HB3 ALA 95 HB3 ALA 95 2.670 17.408 10.736 604 H LEU 96 H LEU 96 6.180 19.397 11.723 605 HA LEU 96 HA LEU 96 5.557 19.364 14.523 606 HB2 LEU 96 HB2 LEU 96 5.927 16.887 13.238 607 HB3 LEU 96 HB3 LEU 96 7.401 17.199 14.152 608 HG LEU 96 HG LEU 96 4.754 17.485 15.504 609 HD11 LEU 96 HD11 LEU 96 5.225 15.198 14.158 610 HD12 LEU 96 HD12 LEU 96 4.330 15.282 15.674 611 HD13 LEU 96 HD13 LEU 96 6.038 14.843 15.682 612 HD21 LEU 96 HD21 LEU 96 6.746 18.185 16.689 613 HD22 LEU 96 HD22 LEU 96 7.504 16.620 16.393 614 HD23 LEU 96 HD23 LEU 96 6.084 16.730 17.434 615 H GLY 97 H GLY 97 8.191 18.628 12.228 616 HA2 GLY 97 HA2 GLY 97 10.066 20.095 13.920 617 HA3 GLY 97 HA3 GLY 97 10.474 19.126 12.512 618 H TYR 98 H TYR 98 11.839 21.171 12.260 619 HA TYR 98 HA TYR 98 10.292 23.214 10.808 620 HB2 TYR 98 HB2 TYR 98 11.825 23.709 12.940 621 HB3 TYR 98 HB3 TYR 98 13.072 23.785 11.702 622 HD1 TYR 98 HD1 TYR 98 9.807 25.226 12.720 623 HD2 TYR 98 HD2 TYR 98 13.308 25.696 10.347 624 HE1 TYR 98 HE1 TYR 98 9.138 27.535 12.201 625 HE2 TYR 98 HE2 TYR 98 12.649 28.007 9.823 626 HH TYR 98 HH TYR 98 11.268 29.745 10.580 627 H ASP 99 H ASP 99 11.202 20.702 9.697 628 HA ASP 99 HA ASP 99 12.554 21.753 7.377 629 HB2 ASP 99 HB2 ASP 99 14.500 20.422 7.437 630 HB3 ASP 99 HB3 ASP 99 14.368 21.093 9.061 631 H GLY 100 H GLY 100 11.856 20.752 5.585 632 HA2 GLY 100 HA2 GLY 100 10.901 17.995 5.741 633 HA3 GLY 100 HA3 GLY 100 9.725 19.217 5.281 634 H ASN 101 H ASN 101 9.411 18.332 3.233 635 HA ASN 101 HA ASN 101 9.762 18.072 1.001 636 HB2 ASN 101 HB2 ASN 101 10.469 20.522 1.370 637 HB3 ASN 101 HB3 ASN 101 12.122 19.928 1.239 638 HD21 ASN 101 HD21 ASN 101 12.845 19.095 -0.730 639 HD22 ASN 101 HD22 ASN 101 12.026 19.430 -2.214 Start of MODEL 19 1 H MET 21 H MET 21 8.449 0.087 3.611 2 HA MET 21 HA MET 21 8.190 2.738 3.156 3 HB2 MET 21 HB2 MET 21 10.165 3.084 4.651 4 HB3 MET 21 HB3 MET 21 8.976 1.953 5.282 5 HG2 MET 21 HG2 MET 21 11.016 0.619 3.722 6 HG3 MET 21 HG3 MET 21 11.697 1.542 5.059 7 HE1 MET 21 HE1 MET 21 11.395 -0.242 7.959 8 HE2 MET 21 HE2 MET 21 12.327 -1.149 6.767 9 HE3 MET 21 HE3 MET 21 12.350 0.615 6.750 10 H ILE 22 H ILE 22 9.062 1.406 0.702 11 HA ILE 22 HA ILE 22 11.696 2.295 0.055 12 HB ILE 22 HB ILE 22 11.138 1.717 -2.253 13 HG12 ILE 22 HG12 ILE 22 8.347 1.231 -1.189 14 HG13 ILE 22 HG13 ILE 22 8.821 2.539 -2.268 15 HG21 ILE 22 HG21 ILE 22 11.791 -0.040 -0.648 16 HG22 ILE 22 HG22 ILE 22 10.086 -0.345 -0.322 17 HG23 ILE 22 HG23 ILE 22 10.742 -0.645 -1.931 18 HD11 ILE 22 HD11 ILE 22 9.684 0.277 -3.581 19 HD12 ILE 22 HD12 ILE 22 8.149 -0.212 -2.863 20 HD13 ILE 22 HD13 ILE 22 8.217 1.194 -3.924 21 H SER 23 H SER 23 8.500 3.678 -0.168 22 HA SER 23 HA SER 23 7.743 5.734 -0.781 23 HB2 SER 23 HB2 SER 23 10.435 6.976 -0.687 24 HB3 SER 23 HB3 SER 23 8.927 7.495 0.063 25 HG SER 23 HG SER 23 10.571 6.719 1.545 26 H GLY 24 H GLY 24 8.347 7.703 -2.332 27 HA2 GLY 24 HA2 GLY 24 9.816 6.814 -4.686 28 HA3 GLY 24 HA3 GLY 24 8.085 7.036 -4.897 29 H LEU 25 H LEU 25 10.111 8.467 -6.285 30 HA LEU 25 HA LEU 25 9.400 11.181 -5.444 31 HB2 LEU 25 HB2 LEU 25 12.081 10.015 -5.542 32 HB3 LEU 25 HB3 LEU 25 11.929 11.532 -6.426 33 HG LEU 25 HG LEU 25 10.724 12.090 -4.010 34 HD11 LEU 25 HD11 LEU 25 12.304 11.358 -2.304 35 HD12 LEU 25 HD12 LEU 25 13.173 10.403 -3.506 36 HD13 LEU 25 HD13 LEU 25 11.517 9.980 -3.072 37 HD21 LEU 25 HD21 LEU 25 13.636 12.536 -4.625 38 HD22 LEU 25 HD22 LEU 25 12.556 13.551 -3.668 39 HD23 LEU 25 HD23 LEU 25 12.335 13.430 -5.414 40 H ARG 26 H ARG 26 8.208 11.875 -7.098 41 HA ARG 26 HA ARG 26 9.337 12.320 -9.647 42 HB2 ARG 26 HB2 ARG 26 7.874 10.850 -10.986 43 HB3 ARG 26 HB3 ARG 26 8.988 9.940 -9.974 44 HG2 ARG 26 HG2 ARG 26 6.861 10.067 -8.332 45 HG3 ARG 26 HG3 ARG 26 6.051 10.095 -9.900 46 HD2 ARG 26 HD2 ARG 26 7.631 8.107 -10.453 47 HD3 ARG 26 HD3 ARG 26 7.797 7.981 -8.702 48 HE ARG 26 HE ARG 26 5.066 8.097 -9.547 49 HH11 ARG 26 HH11 ARG 26 7.809 5.996 -9.125 50 HH12 ARG 26 HH12 ARG 26 6.850 4.565 -8.939 51 HH21 ARG 26 HH21 ARG 26 3.792 6.221 -9.304 52 HH22 ARG 26 HH22 ARG 26 4.565 4.694 -9.042 53 H THR 27 H THR 27 6.414 11.952 -7.720 54 HA THR 27 HA THR 27 5.401 14.445 -8.894 55 HB THR 27 HB THR 27 3.059 13.423 -8.715 56 HG1 THR 27 HG1 THR 27 4.496 10.982 -8.964 57 HG21 THR 27 HG21 THR 27 3.237 12.366 -10.948 58 HG22 THR 27 HG22 THR 27 4.994 12.417 -10.804 59 HG23 THR 27 HG23 THR 27 4.069 13.917 -10.860 60 H LEU 28 H LEU 28 4.229 15.748 -7.505 61 HA LEU 28 HA LEU 28 3.295 14.917 -4.961 62 HB2 LEU 28 HB2 LEU 28 4.865 16.160 -3.561 63 HB3 LEU 28 HB3 LEU 28 5.652 14.841 -4.424 64 HG LEU 28 HG LEU 28 5.783 17.526 -5.670 65 HD11 LEU 28 HD11 LEU 28 7.851 17.014 -3.637 66 HD12 LEU 28 HD12 LEU 28 6.268 17.488 -3.022 67 HD13 LEU 28 HD13 LEU 28 7.119 18.531 -4.162 68 HD21 LEU 28 HD21 LEU 28 7.191 16.342 -6.914 69 HD22 LEU 28 HD22 LEU 28 7.132 14.982 -5.792 70 HD23 LEU 28 HD23 LEU 28 8.280 16.294 -5.527 71 H GLU 29 H GLU 29 2.429 16.436 -7.275 72 HA GLU 29 HA GLU 29 1.654 18.904 -5.885 73 HB2 GLU 29 HB2 GLU 29 1.738 20.055 -8.145 74 HB3 GLU 29 HB3 GLU 29 3.288 19.690 -7.401 75 HG2 GLU 29 HG2 GLU 29 3.912 18.512 -9.162 76 HG3 GLU 29 HG3 GLU 29 2.479 17.494 -9.043 77 H GLN 30 H GLN 30 0.020 16.828 -5.736 78 HA GLN 30 HA GLN 30 -1.993 17.223 -7.847 79 HB2 GLN 30 HB2 GLN 30 -1.901 14.914 -5.913 80 HB3 GLN 30 HB3 GLN 30 -2.821 15.038 -7.407 81 HG2 GLN 30 HG2 GLN 30 -0.801 14.919 -8.713 82 HG3 GLN 30 HG3 GLN 30 0.183 14.936 -7.251 83 HE21 GLN 30 HE21 GLN 30 -1.017 13.179 -5.631 84 HE22 GLN 30 HE22 GLN 30 -1.026 11.598 -6.329 85 H SER 31 H SER 31 -4.164 17.524 -7.276 86 HA SER 31 HA SER 31 -4.531 18.589 -4.563 87 HB2 SER 31 HB2 SER 31 -4.950 20.053 -6.608 88 HB3 SER 31 HB3 SER 31 -6.358 19.040 -6.926 89 HG SER 31 HG SER 31 -6.270 21.110 -5.364 90 H VAL 32 H VAL 32 -7.038 18.487 -3.981 91 HA VAL 32 HA VAL 32 -7.603 15.842 -3.312 92 HB VAL 32 HB VAL 32 -9.536 18.155 -3.511 93 HG11 VAL 32 HG11 VAL 32 -9.760 15.456 -2.200 94 HG12 VAL 32 HG12 VAL 32 -10.799 16.819 -1.782 95 HG13 VAL 32 HG13 VAL 32 -10.817 16.165 -3.419 96 HG21 VAL 32 HG21 VAL 32 -8.677 17.333 -0.862 97 HG22 VAL 32 HG22 VAL 32 -7.332 17.876 -1.865 98 HG23 VAL 32 HG23 VAL 32 -8.712 18.939 -1.590 99 H GLY 33 H GLY 33 -9.187 17.876 -5.782 100 HA2 GLY 33 HA2 GLY 33 -10.933 15.987 -6.811 101 HA3 GLY 33 HA3 GLY 33 -10.244 17.309 -7.740 102 H GLU 34 H GLU 34 -7.809 16.849 -8.305 103 HA GLU 34 HA GLU 34 -7.740 14.819 -10.177 104 HB2 GLU 34 HB2 GLU 34 -6.153 16.602 -10.309 105 HB3 GLU 34 HB3 GLU 34 -5.490 16.211 -8.729 106 HG2 GLU 34 HG2 GLU 34 -3.978 15.487 -10.452 107 HG3 GLU 34 HG3 GLU 34 -4.650 14.086 -9.621 108 H TRP 35 H TRP 35 -6.333 14.800 -6.907 109 HA TRP 35 HA TRP 35 -5.206 12.286 -6.907 110 HB2 TRP 35 HB2 TRP 35 -4.852 13.762 -5.046 111 HB3 TRP 35 HB3 TRP 35 -6.572 13.783 -4.666 112 HD1 TRP 35 HD1 TRP 35 -4.525 10.582 -5.333 113 HE1 TRP 35 HE1 TRP 35 -4.588 9.131 -3.209 114 HE3 TRP 35 HE3 TRP 35 -6.971 13.813 -2.217 115 HZ2 TRP 35 HZ2 TRP 35 -5.549 9.329 -0.561 116 HZ3 TRP 35 HZ3 TRP 35 -7.424 13.106 0.096 117 HH2 TRP 35 HH2 TRP 35 -6.727 10.910 0.904 118 H LEU 36 H LEU 36 -8.503 13.109 -5.822 119 HA LEU 36 HA LEU 36 -9.316 10.439 -5.415 120 HB2 LEU 36 HB2 LEU 36 -10.987 12.876 -6.010 121 HB3 LEU 36 HB3 LEU 36 -11.596 11.346 -5.383 122 HG LEU 36 HG LEU 36 -9.535 12.902 -3.863 123 HD11 LEU 36 HD11 LEU 36 -11.319 14.028 -2.650 124 HD12 LEU 36 HD12 LEU 36 -12.518 13.317 -3.729 125 HD13 LEU 36 HD13 LEU 36 -11.344 14.471 -4.357 126 HD21 LEU 36 HD21 LEU 36 -11.452 11.681 -2.220 127 HD22 LEU 36 HD22 LEU 36 -9.781 11.181 -2.484 128 HD23 LEU 36 HD23 LEU 36 -11.072 10.510 -3.482 129 H GLU 37 H GLU 37 -9.237 12.488 -8.235 130 HA GLU 37 HA GLU 37 -11.024 11.033 -9.861 131 HB2 GLU 37 HB2 GLU 37 -9.288 13.276 -10.144 132 HB3 GLU 37 HB3 GLU 37 -8.960 12.165 -11.467 133 HG2 GLU 37 HG2 GLU 37 -11.173 12.272 -12.248 134 HG3 GLU 37 HG3 GLU 37 -11.744 13.032 -10.764 135 H SER 38 H SER 38 -7.659 10.587 -9.047 136 HA SER 38 HA SER 38 -7.034 8.754 -11.125 137 HB2 SER 38 HB2 SER 38 -5.650 10.009 -9.000 138 HB3 SER 38 HB3 SER 38 -5.442 8.271 -8.782 139 HG SER 38 HG SER 38 -4.650 9.909 -10.919 140 H ILE 39 H ILE 39 -8.603 8.464 -8.052 141 HA ILE 39 HA ILE 39 -8.489 5.534 -8.201 142 HB ILE 39 HB ILE 39 -9.240 5.488 -5.909 143 HG12 ILE 39 HG12 ILE 39 -9.349 8.509 -6.055 144 HG13 ILE 39 HG13 ILE 39 -10.756 7.451 -6.058 145 HG21 ILE 39 HG21 ILE 39 -6.796 6.392 -6.744 146 HG22 ILE 39 HG22 ILE 39 -7.261 7.605 -5.554 147 HG23 ILE 39 HG23 ILE 39 -7.197 5.903 -5.098 148 HD11 ILE 39 HD11 ILE 39 -10.094 6.629 -3.830 149 HD12 ILE 39 HD12 ILE 39 -8.762 7.785 -3.831 150 HD13 ILE 39 HD13 ILE 39 -10.428 8.361 -3.861 151 H GLY 40 H GLY 40 -10.468 8.087 -9.051 152 HA2 GLY 40 HA2 GLY 40 -12.557 7.986 -10.065 153 HA3 GLY 40 HA3 GLY 40 -12.673 6.298 -9.590 154 H LEU 41 H LEU 41 -11.867 8.596 -7.152 155 HA LEU 41 HA LEU 41 -14.571 8.299 -6.030 156 HB2 LEU 41 HB2 LEU 41 -12.355 7.482 -4.863 157 HB3 LEU 41 HB3 LEU 41 -12.246 9.177 -4.388 158 HG LEU 41 HG LEU 41 -14.801 8.571 -3.658 159 HD11 LEU 41 HD11 LEU 41 -13.592 6.081 -4.128 160 HD12 LEU 41 HD12 LEU 41 -15.132 6.404 -3.333 161 HD13 LEU 41 HD13 LEU 41 -13.656 6.281 -2.377 162 HD21 LEU 41 HD21 LEU 41 -12.655 9.557 -2.452 163 HD22 LEU 41 HD22 LEU 41 -12.646 7.956 -1.711 164 HD23 LEU 41 HD23 LEU 41 -14.062 8.996 -1.547 165 H GLN 42 H GLN 42 -13.005 10.428 -7.805 166 HA GLN 42 HA GLN 42 -12.918 12.857 -6.511 167 HB2 GLN 42 HB2 GLN 42 -12.360 12.203 -8.974 168 HB3 GLN 42 HB3 GLN 42 -14.023 12.678 -9.293 169 HG2 GLN 42 HG2 GLN 42 -12.783 14.707 -7.731 170 HG3 GLN 42 HG3 GLN 42 -11.734 14.316 -9.092 171 HE21 GLN 42 HE21 GLN 42 -13.318 16.717 -8.534 172 HE22 GLN 42 HE22 GLN 42 -14.350 16.928 -9.904 173 H GLN 43 H GLN 43 -15.706 11.093 -7.683 174 HA GLN 43 HA GLN 43 -17.622 13.119 -7.605 175 HB2 GLN 43 HB2 GLN 43 -19.237 11.197 -7.148 176 HB3 GLN 43 HB3 GLN 43 -18.268 11.090 -8.611 177 HG2 GLN 43 HG2 GLN 43 -18.151 8.954 -7.744 178 HG3 GLN 43 HG3 GLN 43 -16.650 9.693 -7.188 179 HE21 GLN 43 HE21 GLN 43 -16.512 8.183 -5.505 180 HE22 GLN 43 HE22 GLN 43 -17.505 8.305 -4.096 181 H TYR 44 H TYR 44 -16.211 11.202 -5.040 182 HA TYR 44 HA TYR 44 -18.087 12.213 -3.067 183 HB2 TYR 44 HB2 TYR 44 -16.383 9.948 -3.268 184 HB3 TYR 44 HB3 TYR 44 -15.867 10.873 -1.863 185 HD1 TYR 44 HD1 TYR 44 -18.579 11.992 -1.098 186 HD2 TYR 44 HD2 TYR 44 -17.335 8.072 -2.188 187 HE1 TYR 44 HE1 TYR 44 -20.435 11.045 0.210 188 HE2 TYR 44 HE2 TYR 44 -19.188 7.115 -0.883 189 HH TYR 44 HH TYR 44 -21.656 8.201 -0.122 190 H GLU 45 H GLU 45 -15.512 13.497 -4.586 191 HA GLU 45 HA GLU 45 -13.773 14.488 -2.701 192 HB2 GLU 45 HB2 GLU 45 -13.373 14.871 -5.037 193 HB3 GLU 45 HB3 GLU 45 -14.855 15.805 -5.192 194 HG2 GLU 45 HG2 GLU 45 -13.189 16.964 -3.174 195 HG3 GLU 45 HG3 GLU 45 -12.271 16.746 -4.663 196 H SER 46 H SER 46 -16.939 15.771 -3.630 197 HA SER 46 HA SER 46 -16.966 18.147 -2.247 198 HB2 SER 46 HB2 SER 46 -18.973 16.296 -3.278 199 HB3 SER 46 HB3 SER 46 -19.531 17.170 -1.852 200 HG SER 46 HG SER 46 -18.713 19.100 -3.015 201 H LYS 47 H LYS 47 -17.679 14.905 -1.011 202 HA LYS 47 HA LYS 47 -18.385 15.715 1.603 203 HB2 LYS 47 HB2 LYS 47 -17.705 13.162 0.259 204 HB3 LYS 47 HB3 LYS 47 -17.506 13.201 2.006 205 HG2 LYS 47 HG2 LYS 47 -19.686 12.364 1.492 206 HG3 LYS 47 HG3 LYS 47 -19.851 13.968 2.210 207 HD2 LYS 47 HD2 LYS 47 -20.354 14.959 0.136 208 HD3 LYS 47 HD3 LYS 47 -19.780 13.555 -0.766 209 HE2 LYS 47 HE2 LYS 47 -21.755 12.517 -0.607 210 HE3 LYS 47 HE3 LYS 47 -21.921 12.915 1.103 211 HZ1 LYS 47 HZ1 LYS 47 -22.899 14.346 -1.242 212 HZ2 LYS 47 HZ2 LYS 47 -22.378 15.288 0.063 213 HZ3 LYS 47 HZ3 LYS 47 -23.611 14.150 0.281 214 H LEU 48 H LEU 48 -15.319 14.788 0.123 215 HA LEU 48 HA LEU 48 -13.867 14.922 2.603 216 HB2 LEU 48 HB2 LEU 48 -13.361 13.552 0.442 217 HB3 LEU 48 HB3 LEU 48 -12.571 15.035 -0.087 218 HG LEU 48 HG LEU 48 -11.798 13.956 2.566 219 HD11 LEU 48 HD11 LEU 48 -10.226 12.384 1.568 220 HD12 LEU 48 HD12 LEU 48 -10.892 12.720 -0.030 221 HD13 LEU 48 HD13 LEU 48 -11.891 11.938 1.195 222 HD21 LEU 48 HD21 LEU 48 -10.647 15.586 0.380 223 HD22 LEU 48 HD22 LEU 48 -9.531 14.590 1.314 224 HD23 LEU 48 HD23 LEU 48 -10.537 15.789 2.129 225 H LEU 49 H LEU 49 -15.135 17.230 0.594 226 HA LEU 49 HA LEU 49 -12.995 19.167 1.133 227 HB2 LEU 49 HB2 LEU 49 -13.600 19.098 -1.169 228 HB3 LEU 49 HB3 LEU 49 -15.316 19.193 -0.782 229 HG LEU 49 HG LEU 49 -15.020 21.504 -0.032 230 HD11 LEU 49 HD11 LEU 49 -12.864 22.641 -0.543 231 HD12 LEU 49 HD12 LEU 49 -12.151 21.055 -0.834 232 HD13 LEU 49 HD13 LEU 49 -12.767 21.465 0.768 233 HD21 LEU 49 HD21 LEU 49 -14.056 20.807 -2.795 234 HD22 LEU 49 HD22 LEU 49 -14.375 22.465 -2.284 235 HD23 LEU 49 HD23 LEU 49 -15.679 21.277 -2.287 236 H LEU 50 H LEU 50 -16.433 18.562 1.607 237 HA LEU 50 HA LEU 50 -16.975 21.047 2.895 238 HB2 LEU 50 HB2 LEU 50 -18.452 18.842 1.978 239 HB3 LEU 50 HB3 LEU 50 -18.769 18.955 3.708 240 HG LEU 50 HG LEU 50 -19.287 21.060 1.613 241 HD11 LEU 50 HD11 LEU 50 -21.240 19.796 3.507 242 HD12 LEU 50 HD12 LEU 50 -20.869 19.085 1.938 243 HD13 LEU 50 HD13 LEU 50 -21.562 20.705 2.031 244 HD21 LEU 50 HD21 LEU 50 -18.500 22.234 3.523 245 HD22 LEU 50 HD22 LEU 50 -19.433 21.212 4.617 246 HD23 LEU 50 HD23 LEU 50 -20.261 22.340 3.544 247 H ASN 51 H ASN 51 -15.486 18.147 3.892 248 HA ASN 51 HA ASN 51 -16.017 18.637 6.723 249 HB2 ASN 51 HB2 ASN 51 -15.865 16.306 5.383 250 HB3 ASN 51 HB3 ASN 51 -14.188 16.453 5.897 251 HD21 ASN 51 HD21 ASN 51 -17.468 16.008 6.902 252 HD22 ASN 51 HD22 ASN 51 -17.127 15.582 8.541 253 H GLY 52 H GLY 52 -14.260 20.311 4.892 254 HA2 GLY 52 HA2 GLY 52 -12.236 21.399 4.984 255 HA3 GLY 52 HA3 GLY 52 -12.381 21.163 6.720 256 H PHE 53 H PHE 53 -12.124 18.527 4.424 257 HA PHE 53 HA PHE 53 -9.504 17.869 5.593 258 HB2 PHE 53 HB2 PHE 53 -11.776 16.325 5.490 259 HB3 PHE 53 HB3 PHE 53 -10.872 15.750 4.094 260 HD1 PHE 53 HD1 PHE 53 -8.097 16.095 5.137 261 HD2 PHE 53 HD2 PHE 53 -11.605 14.522 6.962 262 HE1 PHE 53 HE1 PHE 53 -6.702 14.707 6.614 263 HE2 PHE 53 HE2 PHE 53 -10.217 13.133 8.443 264 HZ PHE 53 HZ PHE 53 -7.761 13.224 8.271 265 H ASP 54 H ASP 54 -10.507 19.457 3.067 266 HA ASP 54 HA ASP 54 -9.449 18.091 0.826 267 HB2 ASP 54 HB2 ASP 54 -9.884 20.029 -0.387 268 HB3 ASP 54 HB3 ASP 54 -11.038 20.152 0.938 269 H ASP 55 H ASP 55 -7.971 19.715 3.430 270 HA ASP 55 HA ASP 55 -5.647 20.727 2.248 271 HB2 ASP 55 HB2 ASP 55 -6.155 19.637 5.018 272 HB3 ASP 55 HB3 ASP 55 -4.638 20.400 4.547 273 H VAL 56 H VAL 56 -4.683 19.413 0.761 274 HA VAL 56 HA VAL 56 -4.258 16.653 1.020 275 HB VAL 56 HB VAL 56 -2.654 18.652 -0.583 276 HG11 VAL 56 HG11 VAL 56 -1.311 16.772 -0.580 277 HG12 VAL 56 HG12 VAL 56 -2.682 15.664 -0.495 278 HG13 VAL 56 HG13 VAL 56 -2.315 16.500 -2.004 279 HG21 VAL 56 HG21 VAL 56 -5.329 17.715 -0.860 280 HG22 VAL 56 HG22 VAL 56 -4.429 18.811 -1.909 281 HG23 VAL 56 HG23 VAL 56 -4.367 17.071 -2.190 282 H HIS 57 H HIS 57 -2.645 19.324 2.449 283 HA HIS 57 HA HIS 57 -0.239 17.799 3.051 284 HB2 HIS 57 HB2 HIS 57 -1.024 20.623 3.801 285 HB3 HIS 57 HB3 HIS 57 0.541 19.883 4.123 286 HD1 HIS 57 HD1 HIS 57 1.173 18.616 1.437 287 HD2 HIS 57 HD2 HIS 57 -0.466 22.412 1.843 288 HE1 HIS 57 HE1 HIS 57 1.755 19.831 -0.686 289 H PHE 58 H PHE 58 -3.114 17.426 4.178 290 HA PHE 58 HA PHE 58 -2.277 17.270 6.999 291 HB2 PHE 58 HB2 PHE 58 -4.460 18.699 5.912 292 HB3 PHE 58 HB3 PHE 58 -5.139 17.306 6.749 293 HD1 PHE 58 HD2 PHE 58 -3.816 16.872 9.107 294 HD2 PHE 58 HD1 PHE 58 -4.376 20.612 7.152 295 HE1 PHE 58 HE2 PHE 58 -3.546 18.034 11.259 296 HE2 PHE 58 HE1 PHE 58 -4.106 21.780 9.301 297 HZ PHE 58 HZ PHE 58 -3.692 20.490 11.358 298 H LEU 59 H LEU 59 -3.036 15.544 4.289 299 HA LEU 59 HA LEU 59 -4.696 13.484 5.167 300 HB2 LEU 59 HB2 LEU 59 -2.379 13.137 3.281 301 HB3 LEU 59 HB3 LEU 59 -3.870 12.201 3.339 302 HG LEU 59 HG LEU 59 -3.637 15.088 2.491 303 HD11 LEU 59 HD11 LEU 59 -4.477 13.907 0.303 304 HD12 LEU 59 HD12 LEU 59 -3.672 12.506 1.010 305 HD13 LEU 59 HD13 LEU 59 -2.757 13.981 0.693 306 HD21 LEU 59 HD21 LEU 59 -5.922 13.301 3.062 307 HD22 LEU 59 HD22 LEU 59 -6.034 14.295 1.609 308 HD23 LEU 59 HD23 LEU 59 -5.793 15.056 3.182 309 H GLY 60 H GLY 60 -1.130 13.610 5.152 310 HA2 GLY 60 HA2 GLY 60 -0.889 11.143 6.596 311 HA3 GLY 60 HA3 GLY 60 0.411 12.262 6.220 312 H SER 61 H SER 61 -1.431 14.392 7.511 313 HA SER 61 HA SER 61 -0.249 14.146 10.135 314 HB2 SER 61 HB2 SER 61 -0.193 16.340 9.227 315 HB3 SER 61 HB3 SER 61 -1.902 16.285 8.793 316 HG SER 61 HG SER 61 -2.429 16.389 10.965 317 H ASN 62 H ASN 62 -3.578 14.938 9.129 318 HA ASN 62 HA ASN 62 -4.825 14.406 11.531 319 HB2 ASN 62 HB2 ASN 62 -5.753 14.343 8.683 320 HB3 ASN 62 HB3 ASN 62 -6.841 13.804 9.958 321 HD21 ASN 62 HD21 ASN 62 -6.386 15.484 11.981 322 HD22 ASN 62 HD22 ASN 62 -6.748 17.112 11.529 323 H VAL 63 H VAL 63 -6.200 12.613 12.179 324 HA VAL 63 HA VAL 63 -4.874 10.171 12.264 325 HB VAL 63 HB VAL 63 -6.537 10.710 13.924 326 HG11 VAL 63 HG11 VAL 63 -8.859 10.937 13.485 327 HG12 VAL 63 HG12 VAL 63 -8.020 11.962 12.321 328 HG13 VAL 63 HG13 VAL 63 -8.665 10.400 11.818 329 HG21 VAL 63 HG21 VAL 63 -7.861 8.616 13.917 330 HG22 VAL 63 HG22 VAL 63 -7.330 8.321 12.261 331 HG23 VAL 63 HG23 VAL 63 -6.151 8.355 13.572 332 H MET 64 H MET 64 -7.555 11.204 10.183 333 HA MET 64 HA MET 64 -8.506 10.259 8.338 334 HB2 MET 64 HB2 MET 64 -5.799 10.579 7.900 335 HB3 MET 64 HB3 MET 64 -6.082 8.913 7.415 336 HG2 MET 64 HG2 MET 64 -7.487 11.355 6.360 337 HG3 MET 64 HG3 MET 64 -6.289 10.376 5.515 338 HE1 MET 64 HE1 MET 64 -10.036 10.973 5.134 339 HE2 MET 64 HE2 MET 64 -8.599 11.159 4.129 340 HE3 MET 64 HE3 MET 64 -9.782 9.905 3.754 341 H GLU 65 H GLU 65 -8.859 8.700 10.603 342 HA GLU 65 HA GLU 65 -8.209 5.954 9.975 343 HB2 GLU 65 HB2 GLU 65 -9.088 7.418 12.287 344 HB3 GLU 65 HB3 GLU 65 -10.158 6.049 12.019 345 HG2 GLU 65 HG2 GLU 65 -7.224 5.598 11.906 346 HG3 GLU 65 HG3 GLU 65 -7.987 5.832 13.478 347 H GLU 66 H GLU 66 -10.359 4.488 10.594 348 HA GLU 66 HA GLU 66 -11.878 4.476 8.250 349 HB2 GLU 66 HB2 GLU 66 -11.638 2.870 10.569 350 HB3 GLU 66 HB3 GLU 66 -13.348 3.232 10.376 351 HG2 GLU 66 HG2 GLU 66 -13.544 1.834 8.667 352 HG3 GLU 66 HG3 GLU 66 -12.121 2.495 7.864 353 H GLN 67 H GLN 67 -13.010 5.283 11.538 354 HA GLN 67 HA GLN 67 -15.527 6.193 10.892 355 HB2 GLN 67 HB2 GLN 67 -13.818 6.276 13.163 356 HB3 GLN 67 HB3 GLN 67 -14.491 7.887 12.942 357 HG2 GLN 67 HG2 GLN 67 -16.578 5.990 12.602 358 HG3 GLN 67 HG3 GLN 67 -15.707 5.608 14.085 359 HE21 GLN 67 HE21 GLN 67 -18.381 6.935 13.289 360 HE22 GLN 67 HE22 GLN 67 -18.452 8.315 14.327 361 H ASP 68 H ASP 68 -12.475 7.976 10.847 362 HA ASP 68 HA ASP 68 -13.388 10.541 10.411 363 HB2 ASP 68 HB2 ASP 68 -10.931 9.357 10.457 364 HB3 ASP 68 HB3 ASP 68 -11.072 9.783 8.754 365 H LEU 69 H LEU 69 -13.045 7.900 8.104 366 HA LEU 69 HA LEU 69 -13.696 9.499 5.819 367 HB2 LEU 69 HB2 LEU 69 -13.903 6.508 6.029 368 HB3 LEU 69 HB3 LEU 69 -13.654 7.479 4.579 369 HG LEU 69 HG LEU 69 -11.544 7.751 6.600 370 HD11 LEU 69 HD11 LEU 69 -12.467 5.208 6.357 371 HD12 LEU 69 HD12 LEU 69 -10.802 5.640 6.743 372 HD13 LEU 69 HD13 LEU 69 -11.252 5.262 5.080 373 HD21 LEU 69 HD21 LEU 69 -11.660 7.254 3.631 374 HD22 LEU 69 HD22 LEU 69 -10.156 7.394 4.544 375 HD23 LEU 69 HD23 LEU 69 -11.268 8.761 4.460 376 H ARG 70 H ARG 70 -15.483 7.634 8.152 377 HA ARG 70 HA ARG 70 -17.905 7.509 6.627 378 HB2 ARG 70 HB2 ARG 70 -17.266 5.899 8.452 379 HB3 ARG 70 HB3 ARG 70 -17.582 7.184 9.612 380 HG2 ARG 70 HG2 ARG 70 -19.782 6.855 9.533 381 HG3 ARG 70 HG3 ARG 70 -19.792 6.764 7.771 382 HD2 ARG 70 HD2 ARG 70 -18.654 4.420 8.265 383 HD3 ARG 70 HD3 ARG 70 -19.515 4.604 9.792 384 HE ARG 70 HE ARG 70 -21.253 5.122 7.627 385 HH11 ARG 70 HH11 ARG 70 -19.622 2.512 9.253 386 HH12 ARG 70 HH12 ARG 70 -20.809 1.326 8.820 387 HH21 ARG 70 HH21 ARG 70 -22.823 3.572 7.051 388 HH22 ARG 70 HH22 ARG 70 -22.630 1.931 7.566 389 H ASP 71 H ASP 71 -16.619 9.600 9.159 390 HA ASP 71 HA ASP 71 -18.963 11.085 9.639 391 HB2 ASP 71 HB2 ASP 71 -17.113 11.174 11.196 392 HB3 ASP 71 HB3 ASP 71 -16.053 11.844 9.958 393 H ILE 72 H ILE 72 -16.426 11.384 7.235 394 HA ILE 72 HA ILE 72 -17.339 13.934 6.269 395 HB ILE 72 HB ILE 72 -15.715 13.629 4.464 396 HG12 ILE 72 HG12 ILE 72 -15.062 10.955 5.709 397 HG13 ILE 72 HG13 ILE 72 -16.097 11.130 4.297 398 HG21 ILE 72 HG21 ILE 72 -14.178 14.380 5.877 399 HG22 ILE 72 HG22 ILE 72 -15.168 13.802 7.216 400 HG23 ILE 72 HG23 ILE 72 -13.928 12.758 6.522 401 HD11 ILE 72 HD11 ILE 72 -13.238 12.048 4.459 402 HD12 ILE 72 HD12 ILE 72 -13.785 10.540 3.726 403 HD13 ILE 72 HD13 ILE 72 -14.280 12.086 3.037 404 H GLY 73 H GLY 73 -18.094 10.623 5.672 405 HA2 GLY 73 HA2 GLY 73 -20.401 10.618 4.500 406 HA3 GLY 73 HA3 GLY 73 -19.483 11.315 3.173 407 H ILE 74 H ILE 74 -17.133 9.794 3.413 408 HA ILE 74 HA ILE 74 -17.798 7.528 1.910 409 HB ILE 74 HB ILE 74 -15.256 7.947 3.484 410 HG12 ILE 74 HG12 ILE 74 -15.970 8.825 0.677 411 HG13 ILE 74 HG13 ILE 74 -15.737 9.886 2.062 412 HG21 ILE 74 HG21 ILE 74 -16.159 5.810 1.865 413 HG22 ILE 74 HG22 ILE 74 -14.883 6.646 0.981 414 HG23 ILE 74 HG23 ILE 74 -14.572 6.030 2.604 415 HD11 ILE 74 HD11 ILE 74 -13.756 10.016 0.823 416 HD12 ILE 74 HD12 ILE 74 -13.381 8.958 2.183 417 HD13 ILE 74 HD13 ILE 74 -13.689 8.270 0.588 418 H SER 75 H SER 75 -19.154 6.059 2.793 419 HA SER 75 HA SER 75 -18.350 4.845 5.357 420 HB2 SER 75 HB2 SER 75 -20.858 4.062 5.286 421 HB3 SER 75 HB3 SER 75 -20.458 5.693 5.821 422 HG SER 75 HG SER 75 -21.716 4.837 3.497 423 H ASP 76 H ASP 76 -18.343 4.352 2.106 424 HA ASP 76 HA ASP 76 -19.113 1.575 2.060 425 HB2 ASP 76 HB2 ASP 76 -18.330 3.613 0.107 426 HB3 ASP 76 HB3 ASP 76 -17.695 2.012 -0.260 427 HA PRO 77 HA PRO 77 -15.277 -0.256 3.157 428 HB2 PRO 77 HB2 PRO 77 -15.392 -2.552 1.713 429 HB3 PRO 77 HB3 PRO 77 -16.385 -2.269 3.147 430 HG2 PRO 77 HG2 PRO 77 -17.115 -2.003 0.256 431 HG3 PRO 77 HG3 PRO 77 -18.048 -2.715 1.585 432 HD2 PRO 77 HD2 PRO 77 -18.518 -0.217 0.649 433 HD3 PRO 77 HD3 PRO 77 -18.763 -0.662 2.350 434 H GLN 78 H GLN 78 -15.994 -0.465 -0.331 435 HA GLN 78 HA GLN 78 -13.244 -0.642 -1.076 436 HB2 GLN 78 HB2 GLN 78 -14.122 -0.270 -3.390 437 HB3 GLN 78 HB3 GLN 78 -14.876 -1.610 -2.537 438 HG2 GLN 78 HG2 GLN 78 -16.896 -0.669 -2.596 439 HG3 GLN 78 HG3 GLN 78 -16.269 0.930 -2.194 440 HE21 GLN 78 HE21 GLN 78 -18.191 -0.186 -4.270 441 HE22 GLN 78 HE22 GLN 78 -17.654 0.522 -5.751 442 H HIS 79 H HIS 79 -15.123 1.902 -0.003 443 HA HIS 79 HA HIS 79 -13.548 3.901 -1.474 444 HB2 HIS 79 HB2 HIS 79 -16.102 4.200 0.120 445 HB3 HIS 79 HB3 HIS 79 -15.243 5.529 -0.653 446 HD1 HIS 79 HD1 HIS 79 -17.838 5.548 -1.742 447 HD2 HIS 79 HD2 HIS 79 -15.118 2.715 -3.097 448 HE1 HIS 79 HE1 HIS 79 -18.717 4.783 -3.971 449 H ARG 80 H ARG 80 -13.945 2.426 1.581 450 HA ARG 80 HA ARG 80 -12.713 4.612 3.049 451 HB2 ARG 80 HB2 ARG 80 -14.194 2.181 3.719 452 HB3 ARG 80 HB3 ARG 80 -12.806 2.454 4.763 453 HG2 ARG 80 HG2 ARG 80 -13.783 4.881 4.906 454 HG3 ARG 80 HG3 ARG 80 -15.278 4.074 4.431 455 HD2 ARG 80 HD2 ARG 80 -13.556 3.409 6.815 456 HD3 ARG 80 HD3 ARG 80 -15.125 4.212 6.849 457 HE ARG 80 HE ARG 80 -15.127 1.602 5.615 458 HH11 ARG 80 HH11 ARG 80 -15.506 3.416 8.562 459 HH12 ARG 80 HH12 ARG 80 -16.442 2.189 9.350 460 HH21 ARG 80 HH21 ARG 80 -16.358 -0.020 6.642 461 HH22 ARG 80 HH22 ARG 80 -16.926 0.234 8.258 462 H ARG 81 H ARG 81 -11.946 1.307 2.039 463 HA ARG 81 HA ARG 81 -9.358 1.289 3.241 464 HB2 ARG 81 HB2 ARG 81 -10.856 -0.711 2.537 465 HB3 ARG 81 HB3 ARG 81 -10.152 -0.474 0.943 466 HG2 ARG 81 HG2 ARG 81 -8.447 -0.821 3.385 467 HG3 ARG 81 HG3 ARG 81 -9.068 -2.196 2.469 468 HD2 ARG 81 HD2 ARG 81 -8.049 -0.664 0.479 469 HD3 ARG 81 HD3 ARG 81 -6.948 -0.270 1.799 470 HE ARG 81 HE ARG 81 -7.083 -2.728 0.355 471 HH11 ARG 81 HH11 ARG 81 -6.346 -1.330 3.458 472 HH12 ARG 81 HH12 ARG 81 -5.265 -2.604 3.920 473 HH21 ARG 81 HH21 ARG 81 -5.662 -4.410 0.953 474 HH22 ARG 81 HH22 ARG 81 -4.877 -4.354 2.494 475 H LYS 82 H LYS 82 -10.635 2.196 0.115 476 HA LYS 82 HA LYS 82 -8.130 2.316 -1.237 477 HB2 LYS 82 HB2 LYS 82 -10.649 2.301 -2.114 478 HB3 LYS 82 HB3 LYS 82 -10.398 4.042 -2.101 479 HG2 LYS 82 HG2 LYS 82 -8.808 3.965 -3.757 480 HG3 LYS 82 HG3 LYS 82 -8.379 2.287 -3.415 481 HD2 LYS 82 HD2 LYS 82 -10.666 1.650 -4.259 482 HD3 LYS 82 HD3 LYS 82 -10.845 3.317 -4.809 483 HE2 LYS 82 HE2 LYS 82 -9.578 2.951 -6.607 484 HE3 LYS 82 HE3 LYS 82 -8.324 2.162 -5.652 485 HZ1 LYS 82 HZ1 LYS 82 -9.738 0.880 -7.462 486 HZ2 LYS 82 HZ2 LYS 82 -10.770 0.650 -6.142 487 HZ3 LYS 82 HZ3 LYS 82 -9.166 0.117 -6.063 488 H LEU 83 H LEU 83 -10.149 4.703 0.424 489 HA LEU 83 HA LEU 83 -8.470 6.922 -0.187 490 HB2 LEU 83 HB2 LEU 83 -10.988 6.600 0.848 491 HB3 LEU 83 HB3 LEU 83 -10.066 7.130 2.254 492 HG LEU 83 HG LEU 83 -11.181 8.989 1.092 493 HD11 LEU 83 HD11 LEU 83 -9.455 10.452 1.398 494 HD12 LEU 83 HD12 LEU 83 -8.281 9.414 0.589 495 HD13 LEU 83 HD13 LEU 83 -8.807 9.039 2.229 496 HD21 LEU 83 HD21 LEU 83 -9.283 8.851 -1.174 497 HD22 LEU 83 HD22 LEU 83 -10.932 9.474 -1.108 498 HD23 LEU 83 HD23 LEU 83 -10.649 7.736 -1.205 499 H LEU 84 H LEU 84 -8.360 4.414 2.157 500 HA LEU 84 HA LEU 84 -6.609 5.872 3.956 501 HB2 LEU 84 HB2 LEU 84 -8.225 3.492 4.077 502 HB3 LEU 84 HB3 LEU 84 -6.585 3.155 4.628 503 HG LEU 84 HG LEU 84 -6.759 4.694 6.407 504 HD11 LEU 84 HD11 LEU 84 -9.198 5.708 4.978 505 HD12 LEU 84 HD12 LEU 84 -7.737 6.589 5.422 506 HD13 LEU 84 HD13 LEU 84 -8.871 6.076 6.671 507 HD21 LEU 84 HD21 LEU 84 -7.891 2.625 6.874 508 HD22 LEU 84 HD22 LEU 84 -9.364 3.207 6.097 509 HD23 LEU 84 HD23 LEU 84 -8.805 3.951 7.596 510 H GLN 85 H GLN 85 -6.382 3.696 1.288 511 HA GLN 85 HA GLN 85 -3.664 2.893 1.857 512 HB2 GLN 85 HB2 GLN 85 -5.548 1.603 0.548 513 HB3 GLN 85 HB3 GLN 85 -4.944 2.527 -0.821 514 HG2 GLN 85 HG2 GLN 85 -2.633 1.569 0.221 515 HG3 GLN 85 HG3 GLN 85 -3.752 0.263 0.603 516 HE21 GLN 85 HE21 GLN 85 -3.430 -1.277 -0.839 517 HE22 GLN 85 HE22 GLN 85 -3.348 -1.059 -2.550 518 H ALA 86 H ALA 86 -5.330 5.192 -0.216 519 HA ALA 86 HA ALA 86 -2.919 5.979 -1.593 520 HB1 ALA 86 HB1 ALA 86 -4.256 7.178 -2.984 521 HB2 ALA 86 HB2 ALA 86 -5.467 6.063 -2.350 522 HB3 ALA 86 HB3 ALA 86 -5.335 7.691 -1.687 523 H ALA 87 H ALA 87 -4.463 6.783 1.337 524 HA ALA 87 HA ALA 87 -3.327 9.451 1.500 525 HB1 ALA 87 HB1 ALA 87 -5.513 9.147 2.448 526 HB2 ALA 87 HB2 ALA 87 -4.932 7.834 3.473 527 HB3 ALA 87 HB3 ALA 87 -4.373 9.484 3.751 528 H ARG 88 H ARG 88 -2.829 6.256 2.923 529 HA ARG 88 HA ARG 88 -0.745 7.131 4.686 530 HB2 ARG 88 HB2 ARG 88 -2.192 4.673 4.146 531 HB3 ARG 88 HB3 ARG 88 -0.470 4.376 4.353 532 HG2 ARG 88 HG2 ARG 88 -0.588 4.683 6.550 533 HG3 ARG 88 HG3 ARG 88 -1.506 6.179 6.368 534 HD2 ARG 88 HD2 ARG 88 -3.120 4.957 7.377 535 HD3 ARG 88 HD3 ARG 88 -3.415 4.417 5.724 536 HE ARG 88 HE ARG 88 -1.573 2.656 6.672 537 HH11 ARG 88 HH11 ARG 88 -4.696 3.738 7.763 538 HH12 ARG 88 HH12 ARG 88 -5.091 2.238 8.535 539 HH21 ARG 88 HH21 ARG 88 -2.081 0.676 7.684 540 HH22 ARG 88 HH22 ARG 88 -3.603 0.498 8.490 541 H SER 89 H SER 89 -0.932 6.109 1.400 542 HA SER 89 HA SER 89 1.756 5.231 1.097 543 HB2 SER 89 HB2 SER 89 -0.481 5.938 -0.747 544 HB3 SER 89 HB3 SER 89 1.152 5.881 -1.411 545 HG SER 89 HG SER 89 0.817 3.813 -1.511 546 H LEU 90 H LEU 90 0.432 8.271 1.603 547 HA LEU 90 HA LEU 90 2.176 9.851 0.000 548 HB2 LEU 90 HB2 LEU 90 0.258 10.340 2.209 549 HB3 LEU 90 HB3 LEU 90 1.479 11.574 1.906 550 HG LEU 90 HG LEU 90 0.416 11.038 -0.602 551 HD11 LEU 90 HD11 LEU 90 -1.944 11.511 1.152 552 HD12 LEU 90 HD12 LEU 90 -1.393 9.858 0.885 553 HD13 LEU 90 HD13 LEU 90 -1.864 10.861 -0.486 554 HD21 LEU 90 HD21 LEU 90 0.918 13.230 -0.186 555 HD22 LEU 90 HD22 LEU 90 0.194 13.209 1.422 556 HD23 LEU 90 HD23 LEU 90 -0.837 13.277 -0.008 557 HA PRO 91 HA PRO 91 5.864 10.023 2.372 558 HB2 PRO 91 HB2 PRO 91 6.571 12.636 2.170 559 HB3 PRO 91 HB3 PRO 91 6.684 11.504 0.818 560 HG2 PRO 91 HG2 PRO 91 4.558 13.522 1.425 561 HG3 PRO 91 HG3 PRO 91 5.316 13.130 -0.128 562 HD2 PRO 91 HD2 PRO 91 2.879 12.188 0.581 563 HD3 PRO 91 HD3 PRO 91 3.996 11.267 -0.446 564 H LYS 92 H LYS 92 3.482 12.526 3.140 565 HA LYS 92 HA LYS 92 4.550 13.355 5.594 566 HB2 LYS 92 HB2 LYS 92 1.949 13.561 4.217 567 HB3 LYS 92 HB3 LYS 92 1.878 13.696 5.968 568 HG2 LYS 92 HG2 LYS 92 2.144 15.886 5.364 569 HG3 LYS 92 HG3 LYS 92 3.821 15.405 5.628 570 HD2 LYS 92 HD2 LYS 92 3.757 14.812 3.088 571 HD3 LYS 92 HD3 LYS 92 2.369 15.903 3.061 572 HE2 LYS 92 HE2 LYS 92 5.161 16.562 3.994 573 HE3 LYS 92 HE3 LYS 92 4.397 17.110 2.503 574 HZ1 LYS 92 HZ1 LYS 92 4.175 18.168 5.148 575 HZ2 LYS 92 HZ2 LYS 92 2.658 17.863 4.465 576 HZ3 LYS 92 HZ3 LYS 92 3.757 18.873 3.669 577 H VAL 93 H VAL 93 4.714 12.374 7.496 578 HA VAL 93 HA VAL 93 2.931 10.097 8.064 579 HB VAL 93 HB VAL 93 5.256 9.366 7.557 580 HG11 VAL 93 HG11 VAL 93 7.084 10.182 8.583 581 HG12 VAL 93 HG12 VAL 93 6.046 11.565 8.934 582 HG13 VAL 93 HG13 VAL 93 6.278 10.305 10.147 583 HG21 VAL 93 HG21 VAL 93 3.560 8.514 9.535 584 HG22 VAL 93 HG22 VAL 93 4.995 7.654 8.976 585 HG23 VAL 93 HG23 VAL 93 5.090 8.699 10.395 586 H LYS 94 H LYS 94 2.042 9.988 10.072 587 HA LYS 94 HA LYS 94 2.182 12.372 11.696 588 HB2 LYS 94 HB2 LYS 94 0.023 11.287 11.280 589 HB3 LYS 94 HB3 LYS 94 0.600 9.820 12.061 590 HG2 LYS 94 HG2 LYS 94 0.954 11.280 14.130 591 HG3 LYS 94 HG3 LYS 94 -0.048 12.471 13.298 592 HD2 LYS 94 HD2 LYS 94 -1.650 11.338 14.488 593 HD3 LYS 94 HD3 LYS 94 -1.658 10.413 12.984 594 HE2 LYS 94 HE2 LYS 94 -1.032 8.566 14.051 595 HE3 LYS 94 HE3 LYS 94 0.345 9.392 14.777 596 HZ1 LYS 94 HZ1 LYS 94 -0.812 8.869 16.639 597 HZ2 LYS 94 HZ2 LYS 94 -2.320 8.906 15.873 598 HZ3 LYS 94 HZ3 LYS 94 -1.556 10.353 16.304 599 H ALA 95 H ALA 95 2.394 8.913 12.550 600 HA ALA 95 HA ALA 95 3.697 9.394 15.013 601 HB1 ALA 95 HB1 ALA 95 4.094 6.766 13.729 602 HB2 ALA 95 HB2 ALA 95 3.525 7.167 15.350 603 HB3 ALA 95 HB3 ALA 95 2.422 7.271 13.978 604 H LEU 96 H LEU 96 5.838 7.882 15.313 605 HA LEU 96 HA LEU 96 7.941 9.384 14.250 606 HB2 LEU 96 HB2 LEU 96 8.157 6.560 15.268 607 HB3 LEU 96 HB3 LEU 96 9.412 7.798 15.256 608 HG LEU 96 HG LEU 96 7.099 8.637 16.787 609 HD11 LEU 96 HD11 LEU 96 8.244 5.942 17.293 610 HD12 LEU 96 HD12 LEU 96 6.600 6.537 17.526 611 HD13 LEU 96 HD13 LEU 96 7.866 6.967 18.677 612 HD21 LEU 96 HD21 LEU 96 10.056 8.429 17.107 613 HD22 LEU 96 HD22 LEU 96 9.053 8.686 18.535 614 HD23 LEU 96 HD23 LEU 96 9.007 9.843 17.204 615 H GLY 97 H GLY 97 9.690 8.676 12.843 616 HA2 GLY 97 HA2 GLY 97 9.994 6.550 11.261 617 HA3 GLY 97 HA3 GLY 97 8.624 7.335 10.490 618 H TYR 98 H TYR 98 9.204 9.956 10.576 619 HA TYR 98 HA TYR 98 11.821 10.178 9.241 620 HB2 TYR 98 HB2 TYR 98 9.137 10.859 8.268 621 HB3 TYR 98 HB3 TYR 98 10.312 12.157 8.078 622 HD1 TYR 98 HD1 TYR 98 9.984 8.483 7.474 623 HD2 TYR 98 HD2 TYR 98 11.607 12.191 6.165 624 HE1 TYR 98 HE1 TYR 98 10.866 7.379 5.460 625 HE2 TYR 98 HE2 TYR 98 12.492 11.099 4.147 626 HH TYR 98 HH TYR 98 12.109 9.136 2.797 627 H ASP 99 H ASP 99 9.312 11.783 11.121 628 HA ASP 99 HA ASP 99 11.310 13.424 12.415 629 HB2 ASP 99 HB2 ASP 99 9.884 15.518 11.973 630 HB3 ASP 99 HB3 ASP 99 10.916 14.944 10.665 631 H GLY 100 H GLY 100 7.837 12.807 11.979 632 HA2 GLY 100 HA2 GLY 100 6.149 12.535 13.509 633 HA3 GLY 100 HA3 GLY 100 7.402 12.090 14.658 634 H ASN 101 H ASN 101 5.380 13.317 15.771 635 HA ASN 101 HA ASN 101 4.721 15.098 17.023 636 HB2 ASN 101 HB2 ASN 101 7.482 16.250 16.742 637 HB3 ASN 101 HB3 ASN 101 6.402 16.297 18.132 638 HD21 ASN 101 HD21 ASN 101 9.215 15.150 17.292 639 HD22 ASN 101 HD22 ASN 101 9.235 13.629 18.111 Start of MODEL 20 1 H MET 21 H MET 21 10.671 -0.227 -0.611 2 HA MET 21 HA MET 21 9.838 -0.601 -2.693 3 HB2 MET 21 HB2 MET 21 11.696 -2.364 -2.524 4 HB3 MET 21 HB3 MET 21 10.402 -3.527 -2.266 5 HG2 MET 21 HG2 MET 21 9.426 -2.497 -4.452 6 HG3 MET 21 HG3 MET 21 11.087 -1.966 -4.708 7 HE1 MET 21 HE1 MET 21 8.816 -4.622 -5.981 8 HE2 MET 21 HE2 MET 21 9.873 -3.493 -6.827 9 HE3 MET 21 HE3 MET 21 10.172 -5.229 -6.931 10 H ILE 22 H ILE 22 7.921 -0.441 -0.733 11 HA ILE 22 HA ILE 22 5.976 -2.525 -1.476 12 HB ILE 22 HB ILE 22 4.727 -1.875 0.557 13 HG12 ILE 22 HG12 ILE 22 6.734 -0.569 2.051 14 HG13 ILE 22 HG13 ILE 22 6.618 0.299 0.524 15 HG21 ILE 22 HG21 ILE 22 6.642 -2.647 2.183 16 HG22 ILE 22 HG22 ILE 22 5.978 -3.746 0.976 17 HG23 ILE 22 HG23 ILE 22 7.510 -2.926 0.673 18 HD11 ILE 22 HD11 ILE 22 4.464 -0.173 2.558 19 HD12 ILE 22 HD12 ILE 22 5.137 1.362 2.007 20 HD13 ILE 22 HD13 ILE 22 4.129 0.402 0.924 21 H SER 23 H SER 23 6.653 0.875 -1.466 22 HA SER 23 HA SER 23 4.208 1.335 -3.011 23 HB2 SER 23 HB2 SER 23 5.050 2.835 -0.538 24 HB3 SER 23 HB3 SER 23 4.014 3.580 -1.756 25 HG SER 23 HG SER 23 2.683 2.631 -0.265 26 H GLY 24 H GLY 24 7.096 3.019 -1.751 27 HA2 GLY 24 HA2 GLY 24 8.855 3.847 -3.102 28 HA3 GLY 24 HA3 GLY 24 7.793 3.753 -4.500 29 H LEU 25 H LEU 25 8.531 5.910 -4.998 30 HA LEU 25 HA LEU 25 7.228 7.970 -3.341 31 HB2 LEU 25 HB2 LEU 25 8.886 9.545 -4.158 32 HB3 LEU 25 HB3 LEU 25 9.653 8.178 -3.354 33 HG LEU 25 HG LEU 25 9.390 8.072 -6.313 34 HD11 LEU 25 HD11 LEU 25 10.233 10.196 -6.377 35 HD12 LEU 25 HD12 LEU 25 11.729 9.272 -6.238 36 HD13 LEU 25 HD13 LEU 25 11.034 10.046 -4.813 37 HD21 LEU 25 HD21 LEU 25 10.980 6.505 -6.133 38 HD22 LEU 25 HD22 LEU 25 10.551 6.487 -4.421 39 HD23 LEU 25 HD23 LEU 25 11.920 7.451 -4.979 40 H ARG 26 H ARG 26 6.754 10.013 -4.690 41 HA ARG 26 HA ARG 26 6.110 9.578 -7.461 42 HB2 ARG 26 HB2 ARG 26 3.674 10.005 -7.164 43 HB3 ARG 26 HB3 ARG 26 4.204 8.462 -6.509 44 HG2 ARG 26 HG2 ARG 26 4.179 10.739 -4.634 45 HG3 ARG 26 HG3 ARG 26 2.610 10.156 -5.191 46 HD2 ARG 26 HD2 ARG 26 4.122 7.871 -4.582 47 HD3 ARG 26 HD3 ARG 26 4.403 9.008 -3.264 48 HE ARG 26 HE ARG 26 2.255 8.662 -2.571 49 HH11 ARG 26 HH11 ARG 26 2.556 7.597 -5.872 50 HH12 ARG 26 HH12 ARG 26 0.964 6.917 -5.935 51 HH21 ARG 26 HH21 ARG 26 0.157 7.770 -2.641 52 HH22 ARG 26 HH22 ARG 26 -0.400 7.016 -4.097 53 H THR 27 H THR 27 4.491 11.560 -8.078 54 HA THR 27 HA THR 27 6.055 13.876 -7.810 55 HB THR 27 HB THR 27 4.286 15.062 -8.948 56 HG1 THR 27 HG1 THR 27 2.348 14.521 -8.251 57 HG21 THR 27 HG21 THR 27 4.045 12.361 -10.181 58 HG22 THR 27 HG22 THR 27 5.647 13.088 -10.055 59 HG23 THR 27 HG23 THR 27 4.367 13.921 -10.938 60 H LEU 28 H LEU 28 4.678 16.024 -7.207 61 HA LEU 28 HA LEU 28 3.235 15.702 -4.713 62 HB2 LEU 28 HB2 LEU 28 4.775 17.350 -3.575 63 HB3 LEU 28 HB3 LEU 28 5.391 15.711 -3.788 64 HG LEU 28 HG LEU 28 6.102 17.743 -5.840 65 HD11 LEU 28 HD11 LEU 28 7.688 17.575 -3.306 66 HD12 LEU 28 HD12 LEU 28 6.368 18.732 -3.475 67 HD13 LEU 28 HD13 LEU 28 7.742 18.795 -4.579 68 HD21 LEU 28 HD21 LEU 28 8.093 15.941 -4.644 69 HD22 LEU 28 HD22 LEU 28 7.749 16.295 -6.338 70 HD23 LEU 28 HD23 LEU 28 6.748 15.140 -5.457 71 H GLU 29 H GLU 29 2.270 16.623 -7.102 72 HA GLU 29 HA GLU 29 1.671 19.402 -6.429 73 HB2 GLU 29 HB2 GLU 29 1.886 20.078 -8.807 74 HB3 GLU 29 HB3 GLU 29 3.418 19.619 -8.078 75 HG2 GLU 29 HG2 GLU 29 3.676 17.821 -9.413 76 HG3 GLU 29 HG3 GLU 29 1.948 17.476 -9.468 77 H GLN 30 H GLN 30 0.088 17.160 -5.982 78 HA GLN 30 HA GLN 30 -1.999 17.408 -8.045 79 HB2 GLN 30 HB2 GLN 30 -1.773 15.175 -6.034 80 HB3 GLN 30 HB3 GLN 30 -2.757 15.223 -7.492 81 HG2 GLN 30 HG2 GLN 30 -0.786 15.112 -8.876 82 HG3 GLN 30 HG3 GLN 30 0.252 15.193 -7.454 83 HE21 GLN 30 HE21 GLN 30 -0.887 13.462 -5.742 84 HE22 GLN 30 HE22 GLN 30 -0.872 11.860 -6.391 85 H SER 31 H SER 31 -4.212 17.460 -7.334 86 HA SER 31 HA SER 31 -4.495 18.660 -4.658 87 HB2 SER 31 HB2 SER 31 -5.439 19.478 -7.274 88 HB3 SER 31 HB3 SER 31 -6.782 19.298 -6.144 89 HG SER 31 HG SER 31 -4.426 20.739 -5.518 90 H VAL 32 H VAL 32 -7.021 18.535 -4.060 91 HA VAL 32 HA VAL 32 -7.509 15.877 -3.337 92 HB VAL 32 HB VAL 32 -9.470 18.171 -3.489 93 HG11 VAL 32 HG11 VAL 32 -9.657 15.540 -2.025 94 HG12 VAL 32 HG12 VAL 32 -10.795 16.881 -1.874 95 HG13 VAL 32 HG13 VAL 32 -10.627 16.035 -3.412 96 HG21 VAL 32 HG21 VAL 32 -8.566 18.967 -1.619 97 HG22 VAL 32 HG22 VAL 32 -8.599 17.380 -0.852 98 HG23 VAL 32 HG23 VAL 32 -7.231 17.841 -1.865 99 H GLY 33 H GLY 33 -9.256 17.872 -5.731 100 HA2 GLY 33 HA2 GLY 33 -10.974 15.947 -6.713 101 HA3 GLY 33 HA3 GLY 33 -10.343 17.282 -7.668 102 H GLU 34 H GLU 34 -7.870 16.843 -8.234 103 HA GLU 34 HA GLU 34 -7.830 14.826 -10.137 104 HB2 GLU 34 HB2 GLU 34 -6.276 16.638 -10.301 105 HB3 GLU 34 HB3 GLU 34 -5.566 16.250 -8.740 106 HG2 GLU 34 HG2 GLU 34 -4.088 15.555 -10.504 107 HG3 GLU 34 HG3 GLU 34 -4.722 14.139 -9.667 108 H TRP 35 H TRP 35 -6.427 14.820 -6.872 109 HA TRP 35 HA TRP 35 -5.219 12.337 -6.895 110 HB2 TRP 35 HB2 TRP 35 -4.891 13.804 -5.026 111 HB3 TRP 35 HB3 TRP 35 -6.611 13.795 -4.645 112 HD1 TRP 35 HD1 TRP 35 -4.530 10.622 -5.331 113 HE1 TRP 35 HE1 TRP 35 -4.562 9.165 -3.209 114 HE3 TRP 35 HE3 TRP 35 -6.984 13.821 -2.187 115 HZ2 TRP 35 HZ2 TRP 35 -5.502 9.348 -0.554 116 HZ3 TRP 35 HZ3 TRP 35 -7.411 13.103 0.128 117 HH2 TRP 35 HH2 TRP 35 -6.685 10.912 0.925 118 H LEU 36 H LEU 36 -8.534 13.070 -5.796 119 HA LEU 36 HA LEU 36 -9.267 10.365 -5.424 120 HB2 LEU 36 HB2 LEU 36 -11.025 12.761 -5.933 121 HB3 LEU 36 HB3 LEU 36 -11.559 11.206 -5.299 122 HG LEU 36 HG LEU 36 -9.487 12.765 -3.816 123 HD11 LEU 36 HD11 LEU 36 -11.218 13.944 -2.590 124 HD12 LEU 36 HD12 LEU 36 -12.458 13.241 -3.629 125 HD13 LEU 36 HD13 LEU 36 -11.278 14.366 -4.302 126 HD21 LEU 36 HD21 LEU 36 -9.800 11.161 -2.317 127 HD22 LEU 36 HD22 LEU 36 -10.912 10.366 -3.431 128 HD23 LEU 36 HD23 LEU 36 -11.526 11.520 -2.247 129 H GLU 37 H GLU 37 -9.278 12.483 -8.190 130 HA GLU 37 HA GLU 37 -11.069 11.038 -9.821 131 HB2 GLU 37 HB2 GLU 37 -9.268 13.274 -10.105 132 HB3 GLU 37 HB3 GLU 37 -9.145 12.213 -11.501 133 HG2 GLU 37 HG2 GLU 37 -11.897 12.566 -10.865 134 HG3 GLU 37 HG3 GLU 37 -11.118 14.146 -10.934 135 H SER 38 H SER 38 -7.698 10.610 -9.050 136 HA SER 38 HA SER 38 -7.073 8.845 -11.193 137 HB2 SER 38 HB2 SER 38 -5.672 10.075 -9.067 138 HB3 SER 38 HB3 SER 38 -5.437 8.337 -8.884 139 HG SER 38 HG SER 38 -3.862 9.074 -10.260 140 H ILE 39 H ILE 39 -8.677 8.468 -8.170 141 HA ILE 39 HA ILE 39 -8.498 5.539 -8.376 142 HB ILE 39 HB ILE 39 -9.218 5.427 -6.068 143 HG12 ILE 39 HG12 ILE 39 -9.266 8.453 -6.113 144 HG13 ILE 39 HG13 ILE 39 -10.698 7.429 -6.138 145 HG21 ILE 39 HG21 ILE 39 -6.791 6.543 -6.962 146 HG22 ILE 39 HG22 ILE 39 -7.240 7.405 -5.491 147 HG23 ILE 39 HG23 ILE 39 -7.092 5.648 -5.473 148 HD11 ILE 39 HD11 ILE 39 -10.338 6.690 -3.948 149 HD12 ILE 39 HD12 ILE 39 -8.675 7.279 -3.933 150 HD13 ILE 39 HD13 ILE 39 -10.016 8.423 -3.911 151 H GLY 40 H GLY 40 -10.517 8.105 -9.092 152 HA2 GLY 40 HA2 GLY 40 -12.623 7.998 -10.080 153 HA3 GLY 40 HA3 GLY 40 -12.727 6.307 -9.612 154 H LEU 41 H LEU 41 -11.863 8.583 -7.177 155 HA LEU 41 HA LEU 41 -14.537 8.274 -5.991 156 HB2 LEU 41 HB2 LEU 41 -12.271 7.483 -4.888 157 HB3 LEU 41 HB3 LEU 41 -12.191 9.174 -4.397 158 HG LEU 41 HG LEU 41 -14.699 8.542 -3.599 159 HD11 LEU 41 HD11 LEU 41 -14.957 6.323 -3.765 160 HD12 LEU 41 HD12 LEU 41 -13.954 6.266 -2.316 161 HD13 LEU 41 HD13 LEU 41 -13.224 6.027 -3.903 162 HD21 LEU 41 HD21 LEU 41 -13.342 9.644 -2.089 163 HD22 LEU 41 HD22 LEU 41 -12.041 8.460 -2.232 164 HD23 LEU 41 HD23 LEU 41 -13.509 8.055 -1.340 165 H GLN 42 H GLN 42 -13.012 10.421 -7.792 166 HA GLN 42 HA GLN 42 -12.923 12.846 -6.492 167 HB2 GLN 42 HB2 GLN 42 -12.398 12.205 -8.965 168 HB3 GLN 42 HB3 GLN 42 -14.068 12.670 -9.256 169 HG2 GLN 42 HG2 GLN 42 -12.854 14.710 -7.712 170 HG3 GLN 42 HG3 GLN 42 -11.774 14.319 -9.050 171 HE21 GLN 42 HE21 GLN 42 -13.295 16.736 -8.606 172 HE22 GLN 42 HE22 GLN 42 -14.338 16.919 -9.971 173 H GLN 43 H GLN 43 -15.719 11.082 -7.661 174 HA GLN 43 HA GLN 43 -17.645 13.089 -7.536 175 HB2 GLN 43 HB2 GLN 43 -19.239 11.149 -7.060 176 HB3 GLN 43 HB3 GLN 43 -18.298 11.068 -8.544 177 HG2 GLN 43 HG2 GLN 43 -18.155 8.922 -7.694 178 HG3 GLN 43 HG3 GLN 43 -16.641 9.666 -7.179 179 HE21 GLN 43 HE21 GLN 43 -16.430 8.164 -5.506 180 HE22 GLN 43 HE22 GLN 43 -17.385 8.264 -4.068 181 H TYR 44 H TYR 44 -16.187 11.170 -4.999 182 HA TYR 44 HA TYR 44 -18.046 12.155 -2.995 183 HB2 TYR 44 HB2 TYR 44 -16.312 9.910 -3.230 184 HB3 TYR 44 HB3 TYR 44 -15.808 10.830 -1.818 185 HD1 TYR 44 HD1 TYR 44 -18.536 11.901 -1.040 186 HD2 TYR 44 HD2 TYR 44 -17.234 8.010 -2.166 187 HE1 TYR 44 HE1 TYR 44 -20.375 10.916 0.262 188 HE2 TYR 44 HE2 TYR 44 -19.071 7.014 -0.868 189 HH TYR 44 HH TYR 44 -21.150 7.537 0.081 190 H GLU 45 H GLU 45 -15.402 13.384 -4.521 191 HA GLU 45 HA GLU 45 -13.715 14.412 -2.609 192 HB2 GLU 45 HB2 GLU 45 -13.300 14.692 -4.986 193 HB3 GLU 45 HB3 GLU 45 -14.701 15.743 -5.137 194 HG2 GLU 45 HG2 GLU 45 -12.836 16.685 -3.128 195 HG3 GLU 45 HG3 GLU 45 -12.092 16.528 -4.719 196 H SER 46 H SER 46 -16.885 15.601 -3.595 197 HA SER 46 HA SER 46 -16.948 18.063 -2.364 198 HB2 SER 46 HB2 SER 46 -18.920 16.114 -3.270 199 HB3 SER 46 HB3 SER 46 -19.486 17.041 -1.880 200 HG SER 46 HG SER 46 -19.759 18.663 -3.169 201 H LYS 47 H LYS 47 -17.649 14.897 -0.923 202 HA LYS 47 HA LYS 47 -18.307 15.866 1.646 203 HB2 LYS 47 HB2 LYS 47 -17.399 13.187 0.619 204 HB3 LYS 47 HB3 LYS 47 -17.686 13.462 2.333 205 HG2 LYS 47 HG2 LYS 47 -19.708 13.809 0.128 206 HG3 LYS 47 HG3 LYS 47 -19.620 12.454 1.255 207 HD2 LYS 47 HD2 LYS 47 -19.634 14.762 2.842 208 HD3 LYS 47 HD3 LYS 47 -20.848 15.038 1.591 209 HE2 LYS 47 HE2 LYS 47 -21.292 12.423 2.347 210 HE3 LYS 47 HE3 LYS 47 -20.882 13.219 3.866 211 HZ1 LYS 47 HZ1 LYS 47 -22.680 14.793 2.321 212 HZ2 LYS 47 HZ2 LYS 47 -22.845 14.223 3.905 213 HZ3 LYS 47 HZ3 LYS 47 -23.318 13.252 2.602 214 H LEU 48 H LEU 48 -15.264 14.878 0.169 215 HA LEU 48 HA LEU 48 -13.771 15.129 2.616 216 HB2 LEU 48 HB2 LEU 48 -13.308 13.686 0.471 217 HB3 LEU 48 HB3 LEU 48 -12.484 15.145 -0.072 218 HG LEU 48 HG LEU 48 -11.765 14.066 2.601 219 HD11 LEU 48 HD11 LEU 48 -10.152 12.517 1.573 220 HD12 LEU 48 HD12 LEU 48 -10.888 12.820 0.000 221 HD13 LEU 48 HD13 LEU 48 -11.826 12.045 1.276 222 HD21 LEU 48 HD21 LEU 48 -9.471 14.695 1.442 223 HD22 LEU 48 HD22 LEU 48 -10.513 15.921 2.167 224 HD23 LEU 48 HD23 LEU 48 -10.534 15.664 0.421 225 H LEU 49 H LEU 49 -15.090 17.337 0.533 226 HA LEU 49 HA LEU 49 -12.953 19.309 0.956 227 HB2 LEU 49 HB2 LEU 49 -13.580 19.105 -1.340 228 HB3 LEU 49 HB3 LEU 49 -15.290 19.252 -0.941 229 HG LEU 49 HG LEU 49 -14.934 21.595 -0.309 230 HD11 LEU 49 HD11 LEU 49 -12.095 21.042 -1.148 231 HD12 LEU 49 HD12 LEU 49 -12.666 21.557 0.439 232 HD13 LEU 49 HD13 LEU 49 -12.769 22.658 -0.935 233 HD21 LEU 49 HD21 LEU 49 -14.095 20.699 -3.050 234 HD22 LEU 49 HD22 LEU 49 -14.277 22.404 -2.639 235 HD23 LEU 49 HD23 LEU 49 -15.660 21.315 -2.520 236 H LEU 50 H LEU 50 -16.401 18.736 1.433 237 HA LEU 50 HA LEU 50 -16.891 21.272 2.665 238 HB2 LEU 50 HB2 LEU 50 -18.429 19.114 1.716 239 HB3 LEU 50 HB3 LEU 50 -18.808 19.283 3.429 240 HG LEU 50 HG LEU 50 -19.145 21.355 1.266 241 HD11 LEU 50 HD11 LEU 50 -21.372 20.957 1.377 242 HD12 LEU 50 HD12 LEU 50 -21.323 20.516 3.083 243 HD13 LEU 50 HD13 LEU 50 -20.810 19.356 1.857 244 HD21 LEU 50 HD21 LEU 50 -20.268 22.535 3.347 245 HD22 LEU 50 HD22 LEU 50 -18.555 22.740 2.980 246 HD23 LEU 50 HD23 LEU 50 -19.060 21.597 4.227 247 H ASN 51 H ASN 51 -15.512 18.351 3.711 248 HA ASN 51 HA ASN 51 -16.151 18.830 6.521 249 HB2 ASN 51 HB2 ASN 51 -15.028 16.540 4.971 250 HB3 ASN 51 HB3 ASN 51 -14.607 16.675 6.676 251 HD21 ASN 51 HD21 ASN 51 -17.279 16.434 4.414 252 HD22 ASN 51 HD22 ASN 51 -18.407 15.752 5.532 253 H GLY 52 H GLY 52 -14.291 20.481 4.761 254 HA2 GLY 52 HA2 GLY 52 -12.254 21.535 4.935 255 HA3 GLY 52 HA3 GLY 52 -12.485 21.317 6.664 256 H PHE 53 H PHE 53 -12.071 18.759 4.270 257 HA PHE 53 HA PHE 53 -9.533 18.056 5.592 258 HB2 PHE 53 HB2 PHE 53 -11.813 16.527 5.488 259 HB3 PHE 53 HB3 PHE 53 -10.890 15.907 4.124 260 HD1 PHE 53 HD1 PHE 53 -8.130 16.296 5.239 261 HD2 PHE 53 HD2 PHE 53 -11.683 14.722 6.975 262 HE1 PHE 53 HE1 PHE 53 -6.772 14.936 6.775 263 HE2 PHE 53 HE2 PHE 53 -10.331 13.360 8.515 264 HZ PHE 53 HZ PHE 53 -7.873 13.467 8.417 265 H ASP 54 H ASP 54 -10.486 19.567 2.994 266 HA ASP 54 HA ASP 54 -9.402 18.141 0.811 267 HB2 ASP 54 HB2 ASP 54 -9.759 20.067 -0.451 268 HB3 ASP 54 HB3 ASP 54 -10.948 20.230 0.838 269 H ASP 55 H ASP 55 -7.924 19.708 3.426 270 HA ASP 55 HA ASP 55 -5.578 20.729 2.326 271 HB2 ASP 55 HB2 ASP 55 -6.142 19.489 5.019 272 HB3 ASP 55 HB3 ASP 55 -4.583 20.200 4.611 273 H VAL 56 H VAL 56 -4.566 19.537 0.789 274 HA VAL 56 HA VAL 56 -4.180 16.743 0.889 275 HB VAL 56 HB VAL 56 -2.646 18.835 -0.662 276 HG11 VAL 56 HG11 VAL 56 -2.298 16.707 -2.158 277 HG12 VAL 56 HG12 VAL 56 -1.226 17.036 -0.796 278 HG13 VAL 56 HG13 VAL 56 -2.527 15.856 -0.631 279 HG21 VAL 56 HG21 VAL 56 -4.444 17.114 -2.147 280 HG22 VAL 56 HG22 VAL 56 -5.291 18.037 -0.905 281 HG23 VAL 56 HG23 VAL 56 -4.329 18.874 -2.124 282 H HIS 57 H HIS 57 -2.520 19.362 2.374 283 HA HIS 57 HA HIS 57 -0.110 17.805 2.871 284 HB2 HIS 57 HB2 HIS 57 0.666 19.863 4.045 285 HB3 HIS 57 HB3 HIS 57 0.221 20.143 2.365 286 HD1 HIS 57 HD1 HIS 57 -0.905 20.859 5.871 287 HD2 HIS 57 HD2 HIS 57 -1.927 21.864 1.972 288 HE1 HIS 57 HE1 HIS 57 -2.546 22.752 6.074 289 H PHE 58 H PHE 58 -2.961 17.406 4.049 290 HA PHE 58 HA PHE 58 -2.045 17.100 6.831 291 HB2 PHE 58 HB2 PHE 58 -4.186 18.688 5.914 292 HB3 PHE 58 HB3 PHE 58 -4.913 17.278 6.677 293 HD1 PHE 58 HD2 PHE 58 -1.898 19.340 7.443 294 HD2 PHE 58 HD1 PHE 58 -5.628 17.793 8.792 295 HE1 PHE 58 HE2 PHE 58 -1.512 20.345 9.655 296 HE2 PHE 58 HE1 PHE 58 -5.247 18.797 11.005 297 HZ PHE 58 HZ PHE 58 -3.187 20.074 11.441 298 H LEU 59 H LEU 59 -2.763 15.485 4.118 299 HA LEU 59 HA LEU 59 -4.550 13.465 4.953 300 HB2 LEU 59 HB2 LEU 59 -2.458 13.609 2.807 301 HB3 LEU 59 HB3 LEU 59 -3.397 12.144 3.084 302 HG LEU 59 HG LEU 59 -4.615 14.821 2.418 303 HD11 LEU 59 HD11 LEU 59 -4.306 12.516 0.522 304 HD12 LEU 59 HD12 LEU 59 -3.096 13.794 0.643 305 HD13 LEU 59 HD13 LEU 59 -4.749 14.186 0.171 306 HD21 LEU 59 HD21 LEU 59 -6.607 13.513 1.952 307 HD22 LEU 59 HD22 LEU 59 -6.075 13.249 3.613 308 HD23 LEU 59 HD23 LEU 59 -5.756 12.029 2.380 309 H GLY 60 H GLY 60 -0.989 13.525 4.798 310 HA2 GLY 60 HA2 GLY 60 -0.746 10.960 6.069 311 HA3 GLY 60 HA3 GLY 60 0.565 12.070 5.700 312 H SER 61 H SER 61 -1.083 14.192 7.186 313 HA SER 61 HA SER 61 0.141 13.683 9.759 314 HB2 SER 61 HB2 SER 61 -0.404 15.980 8.271 315 HB3 SER 61 HB3 SER 61 -1.518 16.068 9.636 316 HG SER 61 HG SER 61 0.245 15.863 11.029 317 H ASN 62 H ASN 62 -3.127 14.725 8.764 318 HA ASN 62 HA ASN 62 -4.420 14.299 11.162 319 HB2 ASN 62 HB2 ASN 62 -5.228 15.207 8.782 320 HB3 ASN 62 HB3 ASN 62 -5.900 13.582 8.680 321 HD21 ASN 62 HD21 ASN 62 -6.979 16.420 9.095 322 HD22 ASN 62 HD22 ASN 62 -8.093 16.236 10.402 323 H VAL 63 H VAL 63 -5.749 12.596 11.952 324 HA VAL 63 HA VAL 63 -4.603 10.088 12.019 325 HB VAL 63 HB VAL 63 -6.186 10.706 13.706 326 HG11 VAL 63 HG11 VAL 63 -7.598 12.102 12.171 327 HG12 VAL 63 HG12 VAL 63 -8.373 10.609 11.637 328 HG13 VAL 63 HG13 VAL 63 -8.500 11.117 13.322 329 HG21 VAL 63 HG21 VAL 63 -7.291 8.430 12.061 330 HG22 VAL 63 HG22 VAL 63 -5.987 8.317 13.243 331 HG23 VAL 63 HG23 VAL 63 -7.620 8.724 13.769 332 H MET 64 H MET 64 -7.293 11.208 9.990 333 HA MET 64 HA MET 64 -8.362 10.241 8.215 334 HB2 MET 64 HB2 MET 64 -5.445 9.770 7.740 335 HB3 MET 64 HB3 MET 64 -6.621 9.110 6.610 336 HG2 MET 64 HG2 MET 64 -7.114 11.902 7.240 337 HG3 MET 64 HG3 MET 64 -5.522 11.626 6.535 338 HE1 MET 64 HE1 MET 64 -9.189 10.730 6.355 339 HE2 MET 64 HE2 MET 64 -9.291 12.267 5.497 340 HE3 MET 64 HE3 MET 64 -9.594 10.756 4.639 341 H GLU 65 H GLU 65 -8.970 8.706 10.231 342 HA GLU 65 HA GLU 65 -8.222 5.946 9.599 343 HB2 GLU 65 HB2 GLU 65 -8.954 7.362 12.014 344 HB3 GLU 65 HB3 GLU 65 -9.964 5.941 11.791 345 HG2 GLU 65 HG2 GLU 65 -7.159 5.395 11.290 346 HG3 GLU 65 HG3 GLU 65 -7.454 6.005 12.918 347 H GLU 66 H GLU 66 -10.237 4.410 10.182 348 HA GLU 66 HA GLU 66 -11.970 4.520 8.031 349 HB2 GLU 66 HB2 GLU 66 -11.710 2.454 9.176 350 HB3 GLU 66 HB3 GLU 66 -12.223 3.153 10.705 351 HG2 GLU 66 HG2 GLU 66 -14.272 3.447 8.702 352 HG3 GLU 66 HG3 GLU 66 -13.786 1.761 8.875 353 H GLN 67 H GLN 67 -12.905 5.155 11.418 354 HA GLN 67 HA GLN 67 -15.430 6.150 10.950 355 HB2 GLN 67 HB2 GLN 67 -13.678 5.978 13.147 356 HB3 GLN 67 HB3 GLN 67 -14.185 7.660 13.062 357 HG2 GLN 67 HG2 GLN 67 -15.875 6.886 14.334 358 HG3 GLN 67 HG3 GLN 67 -16.563 6.500 12.757 359 HE21 GLN 67 HE21 GLN 67 -17.373 4.547 12.610 360 HE22 GLN 67 HE22 GLN 67 -16.850 3.152 13.485 361 H ASP 68 H ASP 68 -12.345 7.728 10.548 362 HA ASP 68 HA ASP 68 -13.234 10.395 10.428 363 HB2 ASP 68 HB2 ASP 68 -10.806 9.297 10.447 364 HB3 ASP 68 HB3 ASP 68 -10.959 9.536 8.709 365 H LEU 69 H LEU 69 -12.791 7.954 7.892 366 HA LEU 69 HA LEU 69 -13.627 9.681 5.778 367 HB2 LEU 69 HB2 LEU 69 -13.731 6.690 5.659 368 HB3 LEU 69 HB3 LEU 69 -13.404 7.837 4.362 369 HG LEU 69 HG LEU 69 -11.558 6.909 6.545 370 HD11 LEU 69 HD11 LEU 69 -11.856 6.487 3.662 371 HD12 LEU 69 HD12 LEU 69 -11.069 5.489 4.884 372 HD13 LEU 69 HD13 LEU 69 -10.213 6.860 4.183 373 HD21 LEU 69 HD21 LEU 69 -11.035 9.151 6.600 374 HD22 LEU 69 HD22 LEU 69 -11.466 9.404 4.908 375 HD23 LEU 69 HD23 LEU 69 -9.964 8.575 5.322 376 H ARG 70 H ARG 70 -15.248 7.619 8.039 377 HA ARG 70 HA ARG 70 -17.694 7.413 6.550 378 HB2 ARG 70 HB2 ARG 70 -16.956 5.730 8.240 379 HB3 ARG 70 HB3 ARG 70 -17.231 6.931 9.496 380 HG2 ARG 70 HG2 ARG 70 -19.422 6.547 9.528 381 HG3 ARG 70 HG3 ARG 70 -19.538 6.576 7.767 382 HD2 ARG 70 HD2 ARG 70 -18.259 4.226 8.138 383 HD3 ARG 70 HD3 ARG 70 -19.218 4.302 9.616 384 HE ARG 70 HE ARG 70 -20.842 4.903 7.392 385 HH11 ARG 70 HH11 ARG 70 -19.204 2.235 8.914 386 HH12 ARG 70 HH12 ARG 70 -20.318 1.045 8.327 387 HH21 ARG 70 HH21 ARG 70 -22.316 3.346 6.612 388 HH22 ARG 70 HH22 ARG 70 -22.088 1.679 7.017 389 H ASP 71 H ASP 71 -16.439 9.474 9.111 390 HA ASP 71 HA ASP 71 -18.874 10.786 9.714 391 HB2 ASP 71 HB2 ASP 71 -17.152 10.950 11.332 392 HB3 ASP 71 HB3 ASP 71 -15.982 11.517 10.143 393 H ILE 72 H ILE 72 -16.344 11.363 7.350 394 HA ILE 72 HA ILE 72 -17.329 13.930 6.546 395 HB ILE 72 HB ILE 72 -15.769 13.714 4.651 396 HG12 ILE 72 HG12 ILE 72 -15.111 11.003 5.821 397 HG13 ILE 72 HG13 ILE 72 -16.052 11.253 4.354 398 HG21 ILE 72 HG21 ILE 72 -15.016 14.534 6.854 399 HG22 ILE 72 HG22 ILE 72 -14.522 12.893 7.268 400 HG23 ILE 72 HG23 ILE 72 -13.730 13.745 5.942 401 HD11 ILE 72 HD11 ILE 72 -13.660 10.672 3.985 402 HD12 ILE 72 HD12 ILE 72 -14.175 12.177 3.223 403 HD13 ILE 72 HD13 ILE 72 -13.229 12.219 4.711 404 H GLY 73 H GLY 73 -17.932 10.624 5.629 405 HA2 GLY 73 HA2 GLY 73 -20.333 10.705 4.561 406 HA3 GLY 73 HA3 GLY 73 -19.429 11.458 3.255 407 H ILE 74 H ILE 74 -17.071 9.884 3.480 408 HA ILE 74 HA ILE 74 -17.755 7.712 1.839 409 HB ILE 74 HB ILE 74 -15.223 8.020 3.454 410 HG12 ILE 74 HG12 ILE 74 -15.833 8.995 0.656 411 HG13 ILE 74 HG13 ILE 74 -15.740 10.022 2.082 412 HG21 ILE 74 HG21 ILE 74 -14.671 6.841 0.998 413 HG22 ILE 74 HG22 ILE 74 -14.712 6.045 2.570 414 HG23 ILE 74 HG23 ILE 74 -16.150 6.057 1.551 415 HD11 ILE 74 HD11 ILE 74 -13.374 9.252 2.359 416 HD12 ILE 74 HD12 ILE 74 -13.518 8.482 0.779 417 HD13 ILE 74 HD13 ILE 74 -13.690 10.231 0.927 418 H SER 75 H SER 75 -19.251 6.348 2.749 419 HA SER 75 HA SER 75 -18.423 4.926 5.193 420 HB2 SER 75 HB2 SER 75 -20.844 4.346 5.437 421 HB3 SER 75 HB3 SER 75 -20.522 6.078 5.529 422 HG SER 75 HG SER 75 -22.098 4.749 3.816 423 H ASP 76 H ASP 76 -17.788 4.455 2.257 424 HA ASP 76 HA ASP 76 -18.923 1.762 1.958 425 HB2 ASP 76 HB2 ASP 76 -18.103 3.858 0.083 426 HB3 ASP 76 HB3 ASP 76 -17.496 2.261 -0.346 427 HA PRO 77 HA PRO 77 -15.122 -0.181 2.989 428 HB2 PRO 77 HB2 PRO 77 -15.300 -2.434 1.484 429 HB3 PRO 77 HB3 PRO 77 -16.276 -2.167 2.933 430 HG2 PRO 77 HG2 PRO 77 -17.020 -1.805 0.056 431 HG3 PRO 77 HG3 PRO 77 -17.960 -2.532 1.371 432 HD2 PRO 77 HD2 PRO 77 -18.379 -0.001 0.507 433 HD3 PRO 77 HD3 PRO 77 -18.622 -0.485 2.197 434 H GLN 78 H GLN 78 -15.867 -0.277 -0.498 435 HA GLN 78 HA GLN 78 -13.135 -0.508 -1.277 436 HB2 GLN 78 HB2 GLN 78 -13.997 -0.070 -3.562 437 HB3 GLN 78 HB3 GLN 78 -14.862 -1.357 -2.733 438 HG2 GLN 78 HG2 GLN 78 -16.296 0.923 -2.105 439 HG3 GLN 78 HG3 GLN 78 -15.836 1.152 -3.792 440 HE21 GLN 78 HE21 GLN 78 -17.920 -0.413 -1.634 441 HE22 GLN 78 HE22 GLN 78 -18.732 -1.427 -2.772 442 H HIS 79 H HIS 79 -14.918 2.058 -0.096 443 HA HIS 79 HA HIS 79 -13.309 4.060 -1.521 444 HB2 HIS 79 HB2 HIS 79 -15.767 4.417 0.208 445 HB3 HIS 79 HB3 HIS 79 -14.913 5.710 -0.631 446 HD1 HIS 79 HD1 HIS 79 -17.659 5.689 -1.462 447 HD2 HIS 79 HD2 HIS 79 -14.966 3.008 -3.140 448 HE1 HIS 79 HE1 HIS 79 -18.690 4.976 -3.642 449 H ARG 80 H ARG 80 -13.937 2.679 1.616 450 HA ARG 80 HA ARG 80 -12.477 4.690 3.066 451 HB2 ARG 80 HB2 ARG 80 -14.056 2.316 3.699 452 HB3 ARG 80 HB3 ARG 80 -12.633 2.481 4.718 453 HG2 ARG 80 HG2 ARG 80 -13.349 4.782 5.275 454 HG3 ARG 80 HG3 ARG 80 -14.822 4.511 4.341 455 HD2 ARG 80 HD2 ARG 80 -13.932 2.978 6.782 456 HD3 ARG 80 HD3 ARG 80 -15.246 4.151 6.702 457 HE ARG 80 HE ARG 80 -15.557 1.959 4.874 458 HH11 ARG 80 HH11 ARG 80 -16.080 3.050 8.138 459 HH12 ARG 80 HH12 ARG 80 -17.387 1.951 8.435 460 HH21 ARG 80 HH21 ARG 80 -17.276 0.508 5.252 461 HH22 ARG 80 HH22 ARG 80 -18.065 0.505 6.793 462 H ARG 81 H ARG 81 -11.852 1.429 1.866 463 HA ARG 81 HA ARG 81 -9.268 1.216 3.061 464 HB2 ARG 81 HB2 ARG 81 -10.977 -0.408 1.330 465 HB3 ARG 81 HB3 ARG 81 -9.269 -0.547 0.939 466 HG2 ARG 81 HG2 ARG 81 -10.085 -0.773 3.786 467 HG3 ARG 81 HG3 ARG 81 -10.412 -2.127 2.701 468 HD2 ARG 81 HD2 ARG 81 -7.878 -1.660 2.020 469 HD3 ARG 81 HD3 ARG 81 -7.830 -1.038 3.669 470 HE ARG 81 HE ARG 81 -9.013 -3.450 3.958 471 HH11 ARG 81 HH11 ARG 81 -6.079 -2.400 2.406 472 HH12 ARG 81 HH12 ARG 81 -5.242 -3.890 2.688 473 HH21 ARG 81 HH21 ARG 81 -7.922 -5.417 4.336 474 HH22 ARG 81 HH22 ARG 81 -6.291 -5.606 3.785 475 H LYS 82 H LYS 82 -10.469 2.145 -0.127 476 HA LYS 82 HA LYS 82 -7.969 2.331 -1.413 477 HB2 LYS 82 HB2 LYS 82 -10.468 2.447 -2.310 478 HB3 LYS 82 HB3 LYS 82 -10.181 4.177 -2.182 479 HG2 LYS 82 HG2 LYS 82 -8.584 4.174 -3.832 480 HG3 LYS 82 HG3 LYS 82 -8.187 2.471 -3.594 481 HD2 LYS 82 HD2 LYS 82 -10.816 2.358 -4.352 482 HD3 LYS 82 HD3 LYS 82 -10.208 3.712 -5.309 483 HE2 LYS 82 HE2 LYS 82 -8.211 1.967 -5.689 484 HE3 LYS 82 HE3 LYS 82 -9.534 0.832 -5.432 485 HZ1 LYS 82 HZ1 LYS 82 -8.992 2.529 -7.684 486 HZ2 LYS 82 HZ2 LYS 82 -10.592 2.647 -7.145 487 HZ3 LYS 82 HZ3 LYS 82 -9.956 1.141 -7.584 488 H LEU 83 H LEU 83 -9.947 4.769 0.248 489 HA LEU 83 HA LEU 83 -8.209 6.942 -0.216 490 HB2 LEU 83 HB2 LEU 83 -10.675 6.834 0.655 491 HB3 LEU 83 HB3 LEU 83 -9.900 6.780 2.237 492 HG LEU 83 HG LEU 83 -8.672 8.927 1.042 493 HD11 LEU 83 HD11 LEU 83 -10.057 9.080 -0.842 494 HD12 LEU 83 HD12 LEU 83 -10.689 10.283 0.281 495 HD13 LEU 83 HD13 LEU 83 -11.513 8.735 0.091 496 HD21 LEU 83 HD21 LEU 83 -10.283 10.256 2.486 497 HD22 LEU 83 HD22 LEU 83 -9.345 9.002 3.296 498 HD23 LEU 83 HD23 LEU 83 -11.036 8.712 2.886 499 H LEU 84 H LEU 84 -8.368 4.515 2.321 500 HA LEU 84 HA LEU 84 -6.463 5.756 4.036 501 HB2 LEU 84 HB2 LEU 84 -8.025 3.319 3.975 502 HB3 LEU 84 HB3 LEU 84 -6.387 3.027 4.557 503 HG LEU 84 HG LEU 84 -6.680 4.470 6.402 504 HD11 LEU 84 HD11 LEU 84 -9.229 5.475 6.403 505 HD12 LEU 84 HD12 LEU 84 -8.743 5.657 4.718 506 HD13 LEU 84 HD13 LEU 84 -7.768 6.377 5.999 507 HD21 LEU 84 HD21 LEU 84 -8.658 3.542 7.526 508 HD22 LEU 84 HD22 LEU 84 -7.730 2.300 6.683 509 HD23 LEU 84 HD23 LEU 84 -9.229 2.912 5.981 510 H GLN 85 H GLN 85 -6.265 3.594 1.310 511 HA GLN 85 HA GLN 85 -3.517 2.875 1.773 512 HB2 GLN 85 HB2 GLN 85 -5.428 1.620 0.435 513 HB3 GLN 85 HB3 GLN 85 -4.799 2.571 -0.903 514 HG2 GLN 85 HG2 GLN 85 -2.655 1.583 -0.715 515 HG3 GLN 85 HG3 GLN 85 -3.070 0.826 0.823 516 HE21 GLN 85 HE21 GLN 85 -2.407 0.046 -2.165 517 HE22 GLN 85 HE22 GLN 85 -3.472 -1.289 -2.425 518 H ALA 86 H ALA 86 -5.265 5.113 -0.332 519 HA ALA 86 HA ALA 86 -2.904 6.018 -1.683 520 HB1 ALA 86 HB1 ALA 86 -4.295 7.247 -2.998 521 HB2 ALA 86 HB2 ALA 86 -5.467 6.084 -2.376 522 HB3 ALA 86 HB3 ALA 86 -5.352 7.691 -1.658 523 H ALA 87 H ALA 87 -4.417 6.744 1.295 524 HA ALA 87 HA ALA 87 -3.295 9.411 1.508 525 HB1 ALA 87 HB1 ALA 87 -5.414 9.168 2.521 526 HB2 ALA 87 HB2 ALA 87 -4.919 7.709 3.382 527 HB3 ALA 87 HB3 ALA 87 -4.253 9.275 3.844 528 H ARG 88 H ARG 88 -2.575 6.157 2.551 529 HA ARG 88 HA ARG 88 -0.435 7.071 4.306 530 HB2 ARG 88 HB2 ARG 88 -2.003 4.634 4.004 531 HB3 ARG 88 HB3 ARG 88 -0.283 4.304 4.162 532 HG2 ARG 88 HG2 ARG 88 -0.469 4.544 6.350 533 HG3 ARG 88 HG3 ARG 88 -0.911 6.236 6.108 534 HD2 ARG 88 HD2 ARG 88 -3.112 5.845 6.444 535 HD3 ARG 88 HD3 ARG 88 -3.059 4.266 5.662 536 HE ARG 88 HE ARG 88 -1.724 3.825 7.955 537 HH11 ARG 88 HH11 ARG 88 -4.798 5.308 7.271 538 HH12 ARG 88 HH12 ARG 88 -5.509 4.836 8.779 539 HH21 ARG 88 HH21 ARG 88 -2.649 3.196 9.944 540 HH22 ARG 88 HH22 ARG 88 -4.285 3.635 10.299 541 H SER 89 H SER 89 -0.887 6.139 1.078 542 HA SER 89 HA SER 89 1.783 5.102 0.676 543 HB2 SER 89 HB2 SER 89 -0.584 5.608 -1.098 544 HB3 SER 89 HB3 SER 89 1.005 5.334 -1.811 545 HG SER 89 HG SER 89 -0.066 3.370 -1.605 546 H LEU 90 H LEU 90 0.467 8.138 1.025 547 HA LEU 90 HA LEU 90 1.780 9.652 -0.939 548 HB2 LEU 90 HB2 LEU 90 0.522 10.185 1.682 549 HB3 LEU 90 HB3 LEU 90 1.660 11.397 1.097 550 HG LEU 90 HG LEU 90 -0.143 10.746 -1.015 551 HD11 LEU 90 HD11 LEU 90 -1.458 10.138 1.213 552 HD12 LEU 90 HD12 LEU 90 -2.237 10.925 -0.159 553 HD13 LEU 90 HD13 LEU 90 -1.712 11.884 1.225 554 HD21 LEU 90 HD21 LEU 90 0.768 13.090 0.527 555 HD22 LEU 90 HD22 LEU 90 -0.789 13.253 -0.286 556 HD23 LEU 90 HD23 LEU 90 0.655 12.848 -1.216 557 HA PRO 91 HA PRO 91 5.988 9.856 0.284 558 HB2 PRO 91 HB2 PRO 91 6.607 12.460 -0.171 559 HB3 PRO 91 HB3 PRO 91 6.333 11.296 -1.473 560 HG2 PRO 91 HG2 PRO 91 4.465 13.340 -0.334 561 HG3 PRO 91 HG3 PRO 91 4.751 12.908 -2.029 562 HD2 PRO 91 HD2 PRO 91 2.617 11.998 -0.635 563 HD3 PRO 91 HD3 PRO 91 3.397 11.047 -1.916 564 H LYS 92 H LYS 92 3.654 11.803 1.893 565 HA LYS 92 HA LYS 92 5.543 12.262 4.110 566 HB2 LYS 92 HB2 LYS 92 3.861 14.114 4.737 567 HB3 LYS 92 HB3 LYS 92 4.963 14.409 3.399 568 HG2 LYS 92 HG2 LYS 92 2.840 15.185 2.719 569 HG3 LYS 92 HG3 LYS 92 3.124 13.673 1.855 570 HD2 LYS 92 HD2 LYS 92 1.584 12.503 3.140 571 HD3 LYS 92 HD3 LYS 92 1.654 13.669 4.463 572 HE2 LYS 92 HE2 LYS 92 0.667 14.609 1.822 573 HE3 LYS 92 HE3 LYS 92 -0.391 13.570 2.776 574 HZ1 LYS 92 HZ1 LYS 92 -0.887 15.799 3.341 575 HZ2 LYS 92 HZ2 LYS 92 0.743 16.195 3.561 576 HZ3 LYS 92 HZ3 LYS 92 -0.030 15.157 4.651 577 H VAL 93 H VAL 93 4.104 9.846 3.757 578 HA VAL 93 HA VAL 93 1.690 9.671 5.134 579 HB VAL 93 HB VAL 93 2.580 7.807 3.835 580 HG11 VAL 93 HG11 VAL 93 4.562 7.370 6.060 581 HG12 VAL 93 HG12 VAL 93 4.432 6.483 4.539 582 HG13 VAL 93 HG13 VAL 93 4.959 8.167 4.538 583 HG21 VAL 93 HG21 VAL 93 2.308 6.965 6.714 584 HG22 VAL 93 HG22 VAL 93 0.945 7.445 5.704 585 HG23 VAL 93 HG23 VAL 93 1.905 6.030 5.275 586 H LYS 94 H LYS 94 1.145 9.224 7.264 587 HA LYS 94 HA LYS 94 2.516 10.522 9.277 588 HB2 LYS 94 HB2 LYS 94 0.102 9.398 9.141 589 HB3 LYS 94 HB3 LYS 94 0.925 8.117 10.023 590 HG2 LYS 94 HG2 LYS 94 1.533 9.662 11.777 591 HG3 LYS 94 HG3 LYS 94 0.825 11.004 10.875 592 HD2 LYS 94 HD2 LYS 94 -1.135 10.589 11.836 593 HD3 LYS 94 HD3 LYS 94 -1.154 8.995 11.077 594 HE2 LYS 94 HE2 LYS 94 -1.355 8.490 13.330 595 HE3 LYS 94 HE3 LYS 94 0.375 8.303 13.046 596 HZ1 LYS 94 HZ1 LYS 94 0.707 10.543 13.921 597 HZ2 LYS 94 HZ2 LYS 94 -0.028 9.538 15.066 598 HZ3 LYS 94 HZ3 LYS 94 -0.950 10.684 14.230 599 H ALA 95 H ALA 95 2.296 6.972 8.965 600 HA ALA 95 HA ALA 95 3.716 5.300 9.574 601 HB1 ALA 95 HB1 ALA 95 6.039 7.167 9.436 602 HB2 ALA 95 HB2 ALA 95 5.911 5.490 8.908 603 HB3 ALA 95 HB3 ALA 95 5.150 6.771 7.966 604 H LEU 96 H LEU 96 5.771 4.915 11.133 605 HA LEU 96 HA LEU 96 4.874 5.221 13.725 606 HB2 LEU 96 HB2 LEU 96 7.176 4.180 12.428 607 HB3 LEU 96 HB3 LEU 96 7.714 5.162 13.789 608 HG LEU 96 HG LEU 96 5.956 3.756 15.122 609 HD11 LEU 96 HD11 LEU 96 5.610 1.536 14.304 610 HD12 LEU 96 HD12 LEU 96 6.618 1.844 12.890 611 HD13 LEU 96 HD13 LEU 96 5.069 2.668 13.065 612 HD21 LEU 96 HD21 LEU 96 8.705 2.971 14.242 613 HD22 LEU 96 HD22 LEU 96 7.783 1.926 15.322 614 HD23 LEU 96 HD23 LEU 96 8.161 3.581 15.804 615 H GLY 97 H GLY 97 6.131 6.363 15.520 616 HA2 GLY 97 HA2 GLY 97 5.827 9.113 15.285 617 HA3 GLY 97 HA3 GLY 97 6.785 8.319 16.525 618 H TYR 98 H TYR 98 8.684 7.135 14.716 619 HA TYR 98 HA TYR 98 10.593 9.175 14.612 620 HB2 TYR 98 HB2 TYR 98 10.786 6.533 14.476 621 HB3 TYR 98 HB3 TYR 98 10.821 6.855 12.746 622 HD1 TYR 98 HD2 TYR 98 12.423 8.134 15.876 623 HD2 TYR 98 HD1 TYR 98 12.890 7.120 11.770 624 HE1 TYR 98 HE2 TYR 98 14.821 8.655 16.026 625 HE2 TYR 98 HE1 TYR 98 15.290 7.637 11.909 626 HH TYR 98 HH TYR 98 16.908 8.071 14.853 627 H ASP 99 H ASP 99 11.433 10.406 12.942 628 HA ASP 99 HA ASP 99 10.266 10.267 10.296 629 HB2 ASP 99 HB2 ASP 99 9.114 11.987 12.186 630 HB3 ASP 99 HB3 ASP 99 10.113 13.021 11.169 631 H GLY 100 H GLY 100 11.217 12.104 8.895 632 HA2 GLY 100 HA2 GLY 100 13.753 13.164 9.766 633 HA3 GLY 100 HA3 GLY 100 13.905 11.840 8.621 634 H ASN 101 H ASN 101 14.587 14.728 8.410 635 HA ASN 101 HA ASN 101 14.473 16.427 6.900 636 HB2 ASN 101 HB2 ASN 101 15.016 14.425 5.430 637 HB3 ASN 101 HB3 ASN 101 13.307 14.384 5.008 638 HD21 ASN 101 HD21 ASN 101 15.213 14.708 3.083 639 HD22 ASN 101 HD22 ASN 101 15.129 16.309 2.441
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:31:10 PM GMT (wattos1)